A0A3Q0KSP8_SCHMA Loading...

Putative amiloride-sensitive sodium channel

AlphaFold DB , UniProt , Accession A0A3Q0KSP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 663 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	47.4	Very low	246 Å²	246	165.9 Å²	165.9	100%	1.212	82%	0.816	S	S	*	*				0	131.6	0	-66.1	175.1	176.8	0	0	109.4
2	T	37	Very low	49	Very low	148 Å²	148	156.2 Å²	156.2	91%	0.908	77%	0.767	S	S	*	*			trans	-106.1	103.9	-160.8	34	0	0	0	0	114.2	K4	T2-K4 PolarHBondContact O-N 3.13Å
3	K	37.1	Very low	50.9	Low	211 Å²	211	149.7 Å²	149.7	92%	0.917	73%	0.734	S	S	*	*			trans	-68.1	114.3	171.5	-77.2	178.6	174.9	173.8	0	111	S5	K3-S5 PolarHBondContact O-N 3.24Å; K3-S5 VanDerWaalsContact O-N 3.15Å
4	K	41.4	Very low	52.9	Low	204 Å²	204	145.7 Å²	145.7	89%	0.887	72%	0.716	S	S	*	*			trans	-68.3	106.2	168.4	-85.8	-179.1	175.1	172.3	0	110.3	T2 K6	T2-K4 PolarHBondContact O-N 3.13Å; K4-K6 PolarHBondContact O-N 2.88Å
5	S	37.1	Very low	54.6	Low	113 Å²	113	145.1 Å²	145.1	79%	0.79	71%	0.711	S	S	*	*			trans	-70.2	93.7	176.5	-171.3	0	0	0	0	111.6	K3 K7	K3-S5 PolarHBondContact O-N 3.24Å; K3-S5 VanDerWaalsContact O-N 3.15Å; S5-K7 PolarHBondContact O-N 2.87Å; S5-K7 VanDerWaalsContact O-N 3.07Å
6	K	43	Very low	56.2	Low	201 Å²	201	138.3 Å²	138.3	87%	0.874	68%	0.678	S	S	*	*			trans	-70.8	95.2	166.9	-78	-177.2	176	176.5	0	108.7	K4 L8	K4-K6 PolarHBondContact O-N 2.88Å; K6-L8 PolarHBondContact O-N 3.15Å; K6-L8 VanDerWaalsContact O-N 3.16Å
7	K	45.3	Very low	57.8	Low	192 Å²	192	139.6 Å²	139.6	84%	0.835	67%	0.674	S	S	*	*			trans	-50.3	121.3	169.2	-96	-177.7	174.8	174.9	0	109.7	S5 I9	S5-K7 PolarHBondContact O-N 2.87Å; S5-K7 VanDerWaalsContact O-N 3.07Å; K7-I9 PolarHBondContact O-N 3.42Å
8	L	47.4	Very low	59.3	Low	167 Å²	167	140.1 Å²	140.1	87%	0.874	67%	0.673	S	S	*	*			trans	-70.5	100.2	177.5	-156.4	81.3	0	0	0	108.8	K6 T10	K6-L8 PolarHBondContact O-N 3.15Å; K6-L8 VanDerWaalsContact O-N 3.16Å; L8-T10 PolarHBondContact O-N 3.23Å
9	I	56.4	Low	60.4	Low	94 Å²	94	133.1 Å²	133.1	48%	0.482	64%	0.641	S	S	.	*			trans	-60.8	123.6	-179	-59.3	177.1	0	0	0	108.6	K7 E13	K7-I9 PolarHBondContact O-N 3.42Å; I9-E13 HydrophobicContact CG2-CB 3.8Å
10	T	67.5	Low	61.7	Low	61 Å²	61	128.8 Å²	128.8	37%	0.374	62%	0.621	S	S	.	*			trans	-69.6	150.3	-175.9	59.4	0	0	0	0	111.5	L8 E12 E13 L14	L8-T10 PolarHBondContact O-N 3.23Å; T10-E12 PolarHBondContact O-N 3.28Å; T10-E12 VanDerWaalsContact O-N 3.08Å; T10-E13 WeakPolarHBondContact CB-OE2 3.32Å; T10-E13 PolarHBondContact N-OE2 3.32Å; T10-E13 PolarHBondContact O-N 2.9Å; T10-E13 VanDerWaalsContact OG1-CG 3.27Å; T10-E13 WeakPolarHBondContact OG1-CG 3.42Å; T10-E13 PolarHBondContact OG1-N 3.13Å; T10-E13 PolarHBondContact OG1-OE2 3.36Å; T10-L14 PolarHBondContact O-N 2.96Å
11	K	71.2	Confident	62.9	Low	188 Å²	188	130 Å²	130	82%	0.817	62%	0.624	S	S	*	*	H	α-helix	trans	-53.6	-32.2	176.2	-73.5	-172.9	177.7	179.7	0	112.1	Q15	K11-Q15 PolarHBondContact O-N 3.37Å; K11-Q15 VanDerWaalsContact O-N 3.07Å
12	E	67.3	Low	65.3	Low	49 Å²	49	125.4 Å²	125.4	23%	0.229	60%	0.597	C	S	.	*	H	α-helix	trans	-69.3	-45.2	176	-59.4	-166.3	143.6	0	0	112.1	T10 L14 Q15 L16 F576 R583	T10-E12 PolarHBondContact O-N 3.28Å; T10-E12 VanDerWaalsContact O-N 3.08Å; E12-L14 VanDerWaalsContact C-N 3.27Å; E12-L14 PolarHBondContact O-N 3.1Å; E12-Q15 WeakPolarHBondContact O-CB 3.47Å; E12-Q15 PolarHBondContact O-N 3.3Å; E12-Q15 VanDerWaalsContact O-N 3.1Å; E12-L16 PolarHBondContact O-N 2.95Å; E12-F576 HydrophobicContact CB-CE2 3.77Å; E12-F576 HydrophobicContact CB-CZ 3.72Å; E12-F576 WeakPolarHBondContact O-CE2 3.35Å; E12-F576 WeakPolarHBondContact O-CZ 3.14Å; E12-R583 IonicContact OE1-CZ 3.79Å; E12-R583 IonicContact OE1-NH1 2.75Å; E12-R583 PolarHBondContact OE1-NH1 3.29Å
13	E	73.8	Confident	67.6	Low	72 Å²	72	120 Å²	120	34%	0.336	56%	0.561	S	S	.	*	H	α-helix	trans	-63.2	-33.1	174.5	-73.4	159.2	154.6	0	0	112.3	I9 T10 L16 R17	I9-E13 HydrophobicContact CG2-CB 3.8Å; T10-E13 WeakPolarHBondContact CB-OE2 3.32Å; T10-E13 PolarHBondContact N-OE2 3.32Å; T10-E13 PolarHBondContact O-N 2.9Å; T10-E13 VanDerWaalsContact OG1-CG 3.27Å; T10-E13 WeakPolarHBondContact OG1-CG 3.42Å; T10-E13 PolarHBondContact OG1-N 3.13Å; T10-E13 PolarHBondContact OG1-OE2 3.36Å; E13-L16 PolarHBondContact O-N 2.89Å; E13-R17 WeakPolarHBondContact O-CB 3.36Å; E13-R17 WeakPolarHBondContact O-CG 3.41Å; E13-R17 PolarHBondContact O-N 3.12Å
14	L	78.4	Confident	70	Confident	94 Å²	94	115.6 Å²	115.6	49%	0.492	54%	0.542	S	S	.	.	H	α-helix	trans	-66.9	-38.6	172.2	-171.3	66.2	0	0	0	111.9	T10 E12 R17 K18	T10-L14 PolarHBondContact O-N 2.96Å; E12-L14 VanDerWaalsContact C-N 3.27Å; E12-L14 PolarHBondContact O-N 3.1Å; L14-R17 PolarHBondContact O-N 3.01Å; L14-K18 WeakPolarHBondContact O-CG 3.42Å; L14-K18 PolarHBondContact O-N 3.48Å
15	Q	78.9	Confident	72.2	Confident	137 Å²	137	109.7 Å²	109.7	64%	0.64	52%	0.52	S	S	*	.	H	α-helix	trans	-65.7	-41.5	171.8	-78.8	-169.9	-18.5	0	0	112.3	K11 E12 K18 G19	K11-Q15 PolarHBondContact O-N 3.37Å; K11-Q15 VanDerWaalsContact O-N 3.07Å; E12-Q15 WeakPolarHBondContact O-CB 3.47Å; E12-Q15 PolarHBondContact O-N 3.3Å; E12-Q15 VanDerWaalsContact O-N 3.1Å; Q15-K18 PolarHBondContact O-N 3.04Å; Q15-G19 PolarHBondContact O-N 3.37Å
16	L	80.3	Confident	74.6	Confident	35 Å²	35	110.9 Å²	110.9	18%	0.183	51%	0.508	C	S	.	.	H	α-helix	trans	-59.7	-48.3	174.1	177.6	61.3	0	0	0	110.9	E12 E13 K18 G19 L20 F576	E12-L16 PolarHBondContact O-N 2.95Å; E13-L16 PolarHBondContact O-N 2.89Å; L16-K18 PolarHBondContact O-N 3.49Å; L16-G19 PolarHBondContact O-N 3.38Å; L16-G19 VanDerWaalsContact O-N 3.12Å; L16-L20 HydrophobicContact CD1-CD1 3.97Å; L16-L20 HydrophobicContact CD1-CG 4.01Å; L16-L20 HydrophobicContact CD2-CD1 4.44Å; L16-L20 HydrophobicContact CG-CD1 3.79Å; L16-L20 HydrophobicContact CG-CG 4.3Å; L16-L20 WeakPolarHBondContact O-CG 3.44Å; L16-L20 PolarHBondContact O-N 3.44Å; L16-F576 HydrophobicContact CB-CD1 4.44Å; L16-F576 HydrophobicContact CB-CD2 3.91Å; L16-F576 HydrophobicContact CB-CE1 4.41Å; L16-F576 HydrophobicContact CB-CE2 3.89Å; L16-F576 HydrophobicContact CB-CG 4.19Å; L16-F576 HydrophobicContact CB-CZ 4.13Å; L16-F576 HydrophobicContact CD1-CB 3.97Å; L16-F576 HydrophobicContact CD1-CD2 4.4Å; L16-F576 HydrophobicContact CD1-CG 4.05Å; L16-F576 HydrophobicContact CD2-CD1 3.72Å; L16-F576 HydrophobicContact CD2-CE1 3.92Å; L16-F576 HydrophobicContact CD2-CG 4.08Å; L16-F576 HydrophobicContact CD2-CZ 4.46Å; L16-F576 HydrophobicContact CG-CD1 4.44Å; L16-F576 HydrophobicContact CG-CG 4.32Å
17	R	83.4	Confident	76.8	Confident	161 Å²	161	102.4 Å²	102.4	61%	0.608	47%	0.472	S	S	*	.	H	α-helix	trans	-59.5	-41.4	176.1	-76.8	-178.8	172.9	-158.4	-3	112.7	E13 L14 K21	E13-R17 WeakPolarHBondContact O-CB 3.36Å; E13-R17 WeakPolarHBondContact O-CG 3.41Å; E13-R17 PolarHBondContact O-N 3.12Å; L14-R17 PolarHBondContact O-N 3.01Å; R17-K21 VanDerWaalsContact O-CB 3.29Å; R17-K21 WeakPolarHBondContact O-CB 3.5Å; R17-K21 PolarHBondContact O-N 3.22Å
18	K	83.6	Confident	78.8	Confident	149 Å²	149	94 Å²	94	65%	0.648	44%	0.436	S	S	*	.	H	α-helix	trans	-63.1	-40	173.5	-76.7	-174.5	177.9	-169.4	0	112.1	L14 Q15 L16 K22	L14-K18 WeakPolarHBondContact O-CG 3.42Å; L14-K18 PolarHBondContact O-N 3.48Å; Q15-K18 PolarHBondContact O-N 3.04Å; L16-K18 PolarHBondContact O-N 3.49Å; K18-K22 PolarHBondContact O-N 2.75Å; K18-K22 VanDerWaalsContact O-N 3.15Å
19	G	81.1	Confident	80.7	Confident	7 Å²	7	90 Å²	90	7%	0.072	41%	0.413	C	S	.	.	H	α-helix	trans	-62.7	-55.2	175.7	0	0	0	0	0	112.5	Q15 L16 K21 K22 E23	Q15-G19 PolarHBondContact O-N 3.37Å; L16-G19 PolarHBondContact O-N 3.38Å; L16-G19 VanDerWaalsContact O-N 3.12Å; G19-K21 VanDerWaalsContact C-N 3.3Å; G19-K21 PolarHBondContact O-N 2.96Å; G19-K22 PolarHBondContact O-N 3.19Å; G19-E23 PolarHBondContact O-N 2.89Å
20	L	86.5	Confident	82.1	Confident	47 Å²	47	89.2 Å²	89.2	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-56.6	-42.2	177.1	-66.5	166.8	0	0	0	111.9	L16 K22 E23 F24 L569	L16-L20 HydrophobicContact CD1-CD1 3.97Å; L16-L20 HydrophobicContact CD1-CG 4.01Å; L16-L20 HydrophobicContact CD2-CD1 4.44Å; L16-L20 HydrophobicContact CG-CD1 3.79Å; L16-L20 HydrophobicContact CG-CG 4.3Å; L16-L20 WeakPolarHBondContact O-CG 3.44Å; L16-L20 PolarHBondContact O-N 3.44Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 3.34Å; L20-E23 PolarHBondContact O-N 3.46Å; L20-F24 WeakPolarHBondContact O-CB 3.45Å; L20-F24 PolarHBondContact O-N 2.94Å; L20-L569 HydrophobicContact CD2-CB 4.48Å; L20-L569 HydrophobicContact CD2-CD2 3.55Å
21	K	86.8	Confident	83.2	Confident	155 Å²	155	86.5 Å²	86.5	67%	0.674	40%	0.397	S	S	*	.	H	α-helix	trans	-63.7	-31.7	176.4	-171	176.5	-178.7	-176.8	0	112.5	R17 G19 L25	R17-K21 VanDerWaalsContact O-CB 3.29Å; R17-K21 WeakPolarHBondContact O-CB 3.5Å; R17-K21 PolarHBondContact O-N 3.22Å; G19-K21 VanDerWaalsContact C-N 3.3Å; G19-K21 PolarHBondContact O-N 2.96Å; K21-L25 VanDerWaalsContact O-CB 3.27Å; K21-L25 WeakPolarHBondContact O-CB 3.16Å; K21-L25 PolarHBondContact O-N 3.1Å
22	K	86.9	Confident	83.9	Confident	149 Å²	149	80.6 Å²	80.6	65%	0.648	38%	0.376	S	S	*	.	H	α-helix	trans	-70.1	-43.6	175.7	-170.8	175.7	177.6	-178.5	0	111.7	K18 G19 L20 L25 Y26	K18-K22 PolarHBondContact O-N 2.75Å; K18-K22 VanDerWaalsContact O-N 3.15Å; G19-K22 PolarHBondContact O-N 3.19Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 3.34Å; K22-L25 PolarHBondContact O-N 3.45Å; K22-Y26 WeakPolarHBondContact O-CB 3.27Å; K22-Y26 PolarHBondContact O-N 2.9Å
23	E	87.2	Confident	84.9	Confident	35 Å²	35	79.3 Å²	79.3	16%	0.164	37%	0.371	C	S	.	.	H	α-helix	trans	-62.8	-45.3	176.8	-48.1	-60.1	-152.3	0	0	111.1	G19 L20 L25 Y26 F27 L565 L569 R572	G19-E23 PolarHBondContact O-N 2.89Å; L20-E23 PolarHBondContact O-N 3.46Å; E23-L25 PolarHBondContact O-N 3.36Å; E23-Y26 PolarHBondContact O-N 3.01Å; E23-F27 PolarHBondContact O-N 3.08Å; E23-L565 HydrophobicContact CB-CD1 4.49Å; E23-L569 HydrophobicContact CB-CD2 4.22Å; E23-R572 VanDerWaalsContact OE1-CD 3.24Å; E23-R572 WeakPolarHBondContact OE1-CD 3.37Å; E23-R572 IonicContact OE1-CZ 3.92Å; E23-R572 IonicContact OE1-NE 3.37Å; E23-R572 IonicContact OE1-NH1 3.73Å; E23-R572 PolarHBondContact OE1-NH1 2.89Å; E23-R572 IonicContact OE2-NH1 3.24Å; E23-R572 PolarHBondContact OE2-NH1 3.36Å
24	F	87	Confident	85.4	Confident	118 Å²	118	83.6 Å²	83.6	52%	0.518	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-39.5	179.2	-171.6	-96.1	0	0	0	112.2	L20 C28 L565	L20-F24 WeakPolarHBondContact O-CB 3.45Å; L20-F24 PolarHBondContact O-N 2.94Å; F24-C28 VanDerWaalsContact CE1-SG 3.59Å; F24-C28 PolarHBondContact O-N 3.03Å; F24-C28 PolarHBondContact O-SG 2.99Å; F24-C28 VanDerWaalsContact O-SG 3.32Å; F24-L565 HydrophobicContact CD2-CD2 4.45Å
25	L	87.7	Confident	85.7	Confident	80 Å²	80	79.8 Å²	79.8	42%	0.419	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-43.2	174.3	-170.1	73.2	0	0	0	111.3	K21 K22 E23 C28 Q29 V40	K21-L25 VanDerWaalsContact O-CB 3.27Å; K21-L25 WeakPolarHBondContact O-CB 3.16Å; K21-L25 PolarHBondContact O-N 3.1Å; K22-L25 PolarHBondContact O-N 3.45Å; E23-L25 PolarHBondContact O-N 3.36Å; L25-C28 PolarHBondContact O-N 3.15Å; L25-Q29 WeakPolarHBondContact O-CG 3.46Å; L25-Q29 PolarHBondContact O-N 3.37Å; L25-V40 HydrophobicContact CD1-CG1 3.76Å
26	Y	86.1	Confident	86.1	Confident	137 Å²	137	74.7 Å²	74.7	54%	0.537	35%	0.345	S	S	.	.	H	α-helix	trans	-60.2	-49.8	177.7	179.6	-107.5	0	0	0	111.6	K22 E23 C28 Q29 T30	K22-Y26 WeakPolarHBondContact O-CB 3.27Å; K22-Y26 PolarHBondContact O-N 2.9Å; E23-Y26 PolarHBondContact O-N 3.01Å; Y26-C28 VanDerWaalsContact C-N 3.34Å; Y26-C28 PolarHBondContact O-N 3.25Å; Y26-Q29 WeakPolarHBondContact O-CA 3.47Å; Y26-Q29 WeakPolarHBondContact O-CB 3.48Å; Y26-Q29 PolarHBondContact O-N 2.68Å; Y26-T30 HydrophobicContact CD2-CG2 4.29Å; Y26-T30 HydrophobicContact CE1-CG2 4.31Å; Y26-T30 HydrophobicContact CE2-CG2 3.84Å; Y26-T30 PolarHBondContact O-N 2.91Å; Y26-T30 PolarHBondContact O-OG1 3.03Å; Y26-T30 VanDerWaalsContact O-OG1 3.13Å
27	F	89.4	Confident	86.4	Confident	24 Å²	24	74.5 Å²	74.5	11%	0.105	35%	0.345	C	S	.	.	H	α-helix	trans	-55	-47	173.5	170.2	-92.5	0	0	0	112.1	E23 Q29 T30 T31 I33 E561 V562 L565	E23-F27 PolarHBondContact O-N 3.08Å; F27-Q29 PolarHBondContact O-N 3.07Å; F27-Q29 VanDerWaalsContact O-N 3.14Å; F27-T30 PolarHBondContact O-N 3.07Å; F27-T30 PolarHBondContact O-OG1 3.16Å; F27-T31 HydrophobicContact CE1-CG2 4.3Å; F27-T31 HydrophobicContact CZ-CG2 4.48Å; F27-T31 VanDerWaalsContact O-CB 3.27Å; F27-T31 WeakPolarHBondContact O-CB 3.48Å; F27-T31 VanDerWaalsContact O-CG2 3.3Å; F27-T31 WeakPolarHBondContact O-CG2 3.36Å; F27-T31 PolarHBondContact O-N 3.37Å; F27-I33 HydrophobicContact CE1-CD1 4.49Å; F27-I33 HydrophobicContact CZ-CD1 4.05Å; F27-E561 HydrophobicContact CE2-CB 3.91Å; F27-V562 HydrophobicContact CE2-CG2 4.05Å; F27-V562 HydrophobicContact CZ-CG2 3.81Å; F27-L565 HydrophobicContact CB-CD1 4Å; F27-L565 HydrophobicContact CB-CD2 4.23Å; F27-L565 HydrophobicContact CD1-CD2 3.83Å; F27-L565 HydrophobicContact CD2-CB 3.9Å; F27-L565 HydrophobicContact CD2-CD2 3.96Å; F27-L565 HydrophobicContact CD2-CG 4.39Å; F27-L565 HydrophobicContact CE1-CD2 4.16Å; F27-L565 HydrophobicContact CE2-CB 4.35Å; F27-L565 HydrophobicContact CE2-CD2 4.26Å; F27-L565 HydrophobicContact CG-CB 4.34Å; F27-L565 HydrophobicContact CG-CD1 4.37Å; F27-L565 HydrophobicContact CG-CD2 3.74Å; F27-L565 HydrophobicContact CG-CG 4.36Å; F27-L565 HydrophobicContact CZ-CD2 4.37Å
28	C	87.2	Confident	86.6	Confident	14 Å²	14	74.3 Å²	74.3	10%	0.095	35%	0.345	C	S	.	.	H	α-helix	trans	-68.6	-9.1	177.2	-65.3	0	0	0	0	114.3	F24 L25 Y26 V36 T37 V40	F24-C28 VanDerWaalsContact CE1-SG 3.59Å; F24-C28 PolarHBondContact O-N 3.03Å; F24-C28 PolarHBondContact O-SG 2.99Å; F24-C28 VanDerWaalsContact O-SG 3.32Å; L25-C28 PolarHBondContact O-N 3.15Å; Y26-C28 VanDerWaalsContact C-N 3.34Å; Y26-C28 PolarHBondContact O-N 3.25Å; C28-V36 HydrophobicContact CB-CG1 3.86Å; C28-T37 WeakPolarHBondContact O-CA 3.45Å; C28-V40 HydrophobicContact CB-CG2 3.7Å
29	Q	87.5	Confident	86.9	Confident	83 Å²	83	68.5 Å²	68.5	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-93.9	-27.8	171.3	-70.7	-178.1	-66.4	0	0	113.1	L25 Y26 F27 T37 V40 N41	L25-Q29 WeakPolarHBondContact O-CG 3.46Å; L25-Q29 PolarHBondContact O-N 3.37Å; Y26-Q29 WeakPolarHBondContact O-CA 3.47Å; Y26-Q29 WeakPolarHBondContact O-CB 3.48Å; Y26-Q29 PolarHBondContact O-N 2.68Å; F27-Q29 PolarHBondContact O-N 3.07Å; F27-Q29 VanDerWaalsContact O-N 3.14Å; Q29-T37 WeakPolarHBondContact O-CG2 3.35Å; Q29-V40 HydrophobicContact CG-CB 4.28Å; Q29-V40 HydrophobicContact CG-CG1 3.54Å; Q29-N41 PolarHBondContact NE2-OD1 3.29Å
30	T	87	Confident	87.2	Confident	78 Å²	78	70.2 Å²	70.2	48%	0.479	33%	0.331	S	S	.	.	H	α-helix	trans	-105.8	-20.4	-173.9	55.2	0	0	0	0	115.1	Y26 F27	Y26-T30 HydrophobicContact CD2-CG2 4.29Å; Y26-T30 HydrophobicContact CE1-CG2 4.31Å; Y26-T30 HydrophobicContact CE2-CG2 3.84Å; Y26-T30 PolarHBondContact O-N 2.91Å; Y26-T30 PolarHBondContact O-OG1 3.03Å; Y26-T30 VanDerWaalsContact O-OG1 3.13Å; F27-T30 PolarHBondContact O-N 3.07Å; F27-T30 PolarHBondContact O-OG1 3.16Å
31	T	89.5	Confident	87.2	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.031	34%	0.341	C	S	.	.			trans	-61.7	145.8	-171.1	-177.9	0	0	0	0	114.8	F27 I33 V36 T37 E561	F27-T31 HydrophobicContact CE1-CG2 4.3Å; F27-T31 HydrophobicContact CZ-CG2 4.48Å; F27-T31 VanDerWaalsContact O-CB 3.27Å; F27-T31 WeakPolarHBondContact O-CB 3.48Å; F27-T31 VanDerWaalsContact O-CG2 3.3Å; F27-T31 WeakPolarHBondContact O-CG2 3.36Å; F27-T31 PolarHBondContact O-N 3.37Å; T31-I33 HydrophobicContact CG2-CB 3.96Å; T31-I33 PolarHBondContact O-N 3.42Å; T31-I33 WeakPolarHBondContact OG1-CG1 3.39Å; T31-I33 PolarHBondContact OG1-N 2.85Å; T31-V36 HydrophobicContact CG2-CB 4.38Å; T31-V36 HydrophobicContact CG2-CG1 4.17Å; T31-T37 HydrophobicContact CG2-CG2 3.98Å; T31-T37 WeakPolarHBondContact O-CG2 3.33Å; T31-E561 WeakPolarHBondContact CA-OE2 3.41Å; T31-E561 VanDerWaalsContact CB-OE2 3.22Å; T31-E561 WeakPolarHBondContact CB-OE2 3.42Å; T31-E561 PolarHBondContact OG1-OE2 3.15Å
32	T	87.2	Confident	87.1	Confident	64 Å²	64	65.8 Å²	65.8	39%	0.393	32%	0.317	S	S	.	.	S	Bend	trans	-70.8	-11.7	171.2	51	0	0	0	0	113.9	R34 S558 E561	T32-R34 PolarHBondContact O-N 2.97Å; T32-R34 VanDerWaalsContact O-N 3.12Å; T32-S558 WeakPolarHBondContact OG1-CB 3.45Å; T32-S558 PolarHBondContact OG1-OG 3.15Å; T32-E561 VanDerWaalsContact CB-OE1 3.25Å; T32-E561 WeakPolarHBondContact CB-OE1 3.31Å; T32-E561 WeakPolarHBondContact CG2-OE1 3.43Å; T32-E561 PolarHBondContact N-OE1 2.88Å; T32-E561 PolarHBondContact N-OE2 3.44Å; T32-E561 PolarHBondContact OG1-OE1 3.33Å; T32-E561 PolarHBondContact OG1-OE2 3.4Å
33	I	86.9	Confident	87	Confident	21 Å²	21	70.1 Å²	70.1	11%	0.108	33%	0.33	C	S	.	.	S	Bend	trans	-58.1	115.2	175.5	-65	172.7	0	0	0	109.8	F27 T31 V36 F59 I552	F27-I33 HydrophobicContact CE1-CD1 4.49Å; F27-I33 HydrophobicContact CZ-CD1 4.05Å; T31-I33 HydrophobicContact CG2-CB 3.96Å; T31-I33 PolarHBondContact O-N 3.42Å; T31-I33 WeakPolarHBondContact OG1-CG1 3.39Å; T31-I33 PolarHBondContact OG1-N 2.85Å; I33-V36 HydrophobicContact CB-CG2 4.49Å; I33-V36 HydrophobicContact CG2-CB 4.23Å; I33-V36 HydrophobicContact CG2-CG2 3.61Å; I33-F59 HydrophobicContact CG2-CZ 4.39Å; I33-I552 HydrophobicContact CG2-CG2 3.7Å
34	R	84.6	Confident	87	Confident	163 Å²	163	73.3 Å²	73.3	62%	0.615	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	148.3	-172.8	-64.3	175.9	175.5	170.5	-2.9	111.2	T32 V36 I552	T32-R34 PolarHBondContact O-N 2.97Å; T32-R34 VanDerWaalsContact O-N 3.12Å; R34-V36 PolarHBondContact O-N 3.42Å; R34-I552 VanDerWaalsContact CB-O 3.23Å; R34-I552 WeakPolarHBondContact CB-O 3.08Å; R34-I552 WeakPolarHBondContact CG-O 3.3Å; R34-I552 PolarHBondContact N-O 3.01Å
35	G	85	Confident	87	Confident	13 Å²	13	75.9 Å²	75.9	13%	0.134	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-39.7	-179.1	0	0	0	0	0	114.8	T37 R38 V39	G35-T37 PolarHBondContact O-N 2.92Å; G35-R38 CarbonylContact O-C 3.57Å; G35-R38 WeakPolarHBondContact O-CA 3.23Å; G35-R38 WeakPolarHBondContact O-CB 3.39Å; G35-R38 PolarHBondContact O-N 3.32Å; G35-V39 PolarHBondContact O-N 3.5Å
36	V	86.6	Confident	87.1	Confident	30 Å²	30	77.2 Å²	77.2	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-57.9	-46.9	-177.9	174.1	0	0	0	0	112.1	C28 T31 I33 R34 R38 V39 V40	C28-V36 HydrophobicContact CB-CG1 3.86Å; T31-V36 HydrophobicContact CG2-CB 4.38Å; T31-V36 HydrophobicContact CG2-CG1 4.17Å; I33-V36 HydrophobicContact CB-CG2 4.49Å; I33-V36 HydrophobicContact CG2-CB 4.23Å; I33-V36 HydrophobicContact CG2-CG2 3.61Å; R34-V36 PolarHBondContact O-N 3.42Å; V36-R38 VanDerWaalsContact C-N 3.27Å; V36-R38 PolarHBondContact O-N 2.89Å; V36-V39 WeakPolarHBondContact O-CB 3.35Å; V36-V39 PolarHBondContact O-N 2.82Å; V36-V39 VanDerWaalsContact O-N 3.16Å; V36-V40 PolarHBondContact O-N 3.26Å; V36-V40 VanDerWaalsContact O-N 3.15Å
37	T	87.4	Confident	87.1	Confident	31 Å²	31	74.6 Å²	74.6	19%	0.19	37%	0.365	C	S	.	.	H	α-helix	trans	-63.8	-30.1	175.3	53.7	0	0	0	0	113.2	C28 Q29 T31 G35 N41	C28-T37 WeakPolarHBondContact O-CA 3.45Å; Q29-T37 WeakPolarHBondContact O-CG2 3.35Å; T31-T37 HydrophobicContact CG2-CG2 3.98Å; T31-T37 WeakPolarHBondContact O-CG2 3.33Å; G35-T37 PolarHBondContact O-N 2.92Å; T37-N41 VanDerWaalsContact O-CB 3.29Å; T37-N41 WeakPolarHBondContact O-CB 3.29Å; T37-N41 PolarHBondContact O-N 3.35Å; T37-N41 PolarHBondContact O-ND2 2.88Å
38	R	87.5	Confident	87.2	Confident	157 Å²	157	76.7 Å²	76.7	59%	0.592	38%	0.375	S	S	*	.	H	α-helix	trans	-74.1	-34.5	173.9	-60.6	-63.2	-173.6	174.9	0.7	112.2	G35 V36 A42 W51	G35-R38 CarbonylContact O-C 3.57Å; G35-R38 WeakPolarHBondContact O-CA 3.23Å; G35-R38 WeakPolarHBondContact O-CB 3.39Å; G35-R38 PolarHBondContact O-N 3.32Å; V36-R38 VanDerWaalsContact C-N 3.27Å; V36-R38 PolarHBondContact O-N 2.89Å; R38-A42 WeakPolarHBondContact O-CB 3.24Å; R38-A42 PolarHBondContact O-N 2.96Å; R38-A42 VanDerWaalsContact O-N 3.16Å; R38-W51 HydrophobicContact CB-CD2 3.61Å; R38-W51 HydrophobicContact CB-CE3 3.98Å; R38-W51 HydrophobicContact CB-CG 3.87Å; R38-W51 HydrophobicContact CB-CZ2 4.28Å; R38-W51 HydrophobicContact CB-CZ3 4.47Å; R38-W51 HydrophobicContact CG-CD2 4.32Å; R38-W51 HydrophobicContact CG-CE3 4.4Å; R38-W51 HydrophobicContact CG-CH2 4.31Å; R38-W51 HydrophobicContact CG-CZ2 4.21Å; R38-W51 HydrophobicContact CG-CZ3 4.4Å
39	V	89.2	Confident	87.4	Confident	27 Å²	27	81.7 Å²	81.7	16%	0.164	40%	0.4	C	S	.	.	H	α-helix	trans	-63.3	-43.1	173.4	170.8	0	0	0	0	111.3	G35 V36 Q48 W51 I52 V55	G35-V39 PolarHBondContact O-N 3.5Å; V36-V39 WeakPolarHBondContact O-CB 3.35Å; V36-V39 PolarHBondContact O-N 2.82Å; V36-V39 VanDerWaalsContact O-N 3.16Å; V39-Q48 HydrophobicContact CG1-CG 4.43Å; V39-Q48 PolarHBondContact O-NE2 3.12Å; V39-W51 HydrophobicContact CG2-CB 3.65Å; V39-I52 HydrophobicContact CB-CG1 4.42Å; V39-I52 HydrophobicContact CG1-CD1 4.09Å; V39-I52 HydrophobicContact CG1-CG1 3.59Å; V39-I52 HydrophobicContact CG2-CG1 3.89Å; V39-V55 HydrophobicContact CG2-CG2 4.13Å
40	V	88	Confident	87.6	Confident	44 Å²	44	83 Å²	83	27%	0.267	41%	0.409	S	S	.	.	H	α-helix	trans	-77.3	-38.2	-178.7	-177.2	0	0	0	0	112.5	L25 C28 Q29 V36	L25-V40 HydrophobicContact CD1-CG1 3.76Å; C28-V40 HydrophobicContact CB-CG2 3.7Å; Q29-V40 HydrophobicContact CG-CB 4.28Å; Q29-V40 HydrophobicContact CG-CG1 3.54Å; V36-V40 PolarHBondContact O-N 3.26Å; V36-V40 VanDerWaalsContact O-N 3.15Å
41	N	85.7	Confident	87.8	Confident	87 Å²	87	83 Å²	83	47%	0.465	40%	0.4	S	S	.	.	S	Bend	trans	-93.6	14.5	-176.4	-60	-34.2	0	0	0	113.9	Q29 T37 R43	Q29-N41 PolarHBondContact NE2-OD1 3.29Å; T37-N41 VanDerWaalsContact O-CB 3.29Å; T37-N41 WeakPolarHBondContact O-CB 3.29Å; T37-N41 PolarHBondContact O-N 3.35Å; T37-N41 PolarHBondContact O-ND2 2.88Å; N41-R43 PolarHBondContact O-N 3.47Å
42	A	85.7	Confident	87.9	Confident	21 Å²	21	86 Å²	86	17%	0.174	42%	0.416	C	S	.	.			trans	-70.6	124.5	176.9	0	0	0	0	0	112.1	R38 Q48	R38-A42 WeakPolarHBondContact O-CB 3.24Å; R38-A42 PolarHBondContact O-N 2.96Å; R38-A42 VanDerWaalsContact O-N 3.16Å; A42-Q48 HydrophobicContact CB-CB 3.77Å; A42-Q48 HydrophobicContact CB-CG 4.3Å
43	R	83.9	Confident	88.2	Confident	241 Å²	241	84.9 Å²	84.9	91%	0.909	42%	0.417	S	S	*	.	S	Bend	trans	-67.5	-37.5	178.3	-66.3	-177.9	179.6	174	-0.8	113.5	N41	N41-R43 PolarHBondContact O-N 3.47Å
44	N	88.7	Confident	88.4	Confident	101 Å²	101	85.4 Å²	85.4	54%	0.54	42%	0.422	S	S	.	.	S	Bend	trans	-116	138.9	-171.8	-64.1	6.1	0	0	0	110.9	T46 L47 Q48	N44-T46 VanDerWaalsContact C-N 3.3Å; N44-T46 PolarHBondContact O-N 3.44Å; N44-L47 HydrophobicContact CB-CB 4.31Å; N44-L47 PolarHBondContact O-N 2.96Å; N44-L47 VanDerWaalsContact O-N 3.16Å; N44-Q48 PolarHBondContact O-N 3.42Å
45	K	86.2	Confident	88.8	Confident	173 Å²	173	78.9 Å²	78.9	75%	0.752	40%	0.4	S	S	*	.	H	α-helix	trans	-58.8	-37	179.5	-71.3	-174	179.2	178.4	0	113.5	Q48 I49	K45-Q48 WeakPolarHBondContact O-CB 3.25Å; K45-Q48 PolarHBondContact O-N 3.33Å; K45-I49 VanDerWaalsContact O-CG1 3.3Å; K45-I49 WeakPolarHBondContact O-CG1 3.36Å; K45-I49 PolarHBondContact O-N 3.24Å
46	T	89.4	Confident	89.2	Confident	108 Å²	108	83.8 Å²	83.8	66%	0.663	42%	0.422	S	S	*	.	H	α-helix	trans	-61.9	-47.2	175.7	46	0	0	0	0	111.6	N44 Q48 I49 L50	N44-T46 VanDerWaalsContact C-N 3.3Å; N44-T46 PolarHBondContact O-N 3.44Å; T46-Q48 VanDerWaalsContact C-N 3.32Å; T46-Q48 PolarHBondContact O-N 2.89Å; T46-I49 PolarHBondContact O-N 3.21Å; T46-L50 PolarHBondContact O-N 3.02Å
47	L	86.9	Confident	89.5	Confident	81 Å²	81	88.1 Å²	88.1	42%	0.424	44%	0.443	S	S	.	.	H	α-helix	trans	-64	-38	175.3	-159.6	82.3	0	0	0	111.6	N44 L50 W51	N44-L47 HydrophobicContact CB-CB 4.31Å; N44-L47 PolarHBondContact O-N 2.96Å; N44-L47 VanDerWaalsContact O-N 3.16Å; L47-L50 PolarHBondContact O-N 3.36Å; L47-W51 PolarHBondContact O-N 2.96Å
48	Q	90.6	Very high	89.8	Confident	68 Å²	68	91.3 Å²	91.3	32%	0.318	46%	0.455	S	S	.	.	H	α-helix	trans	-62.5	-43.4	175.5	-173.5	170.6	55.5	0	0	112	V39 A42 N44 K45 T46 L50 W51 I52	V39-Q48 HydrophobicContact CG1-CG 4.43Å; V39-Q48 PolarHBondContact O-NE2 3.12Å; A42-Q48 HydrophobicContact CB-CB 3.77Å; A42-Q48 HydrophobicContact CB-CG 4.3Å; N44-Q48 PolarHBondContact O-N 3.42Å; K45-Q48 WeakPolarHBondContact O-CB 3.25Å; K45-Q48 PolarHBondContact O-N 3.33Å; T46-Q48 VanDerWaalsContact C-N 3.32Å; T46-Q48 PolarHBondContact O-N 2.89Å; Q48-L50 VanDerWaalsContact C-N 3.34Å; Q48-W51 PolarHBondContact O-N 2.87Å; Q48-I52 HydrophobicContact CG-CD1 4.01Å; Q48-I52 VanDerWaalsContact O-CG1 3.25Å; Q48-I52 WeakPolarHBondContact O-CG1 3.49Å; Q48-I52 PolarHBondContact O-N 3.42Å
49	I	91.4	Very high	90.1	Very high	120 Å²	120	88.2 Å²	88.2	62%	0.615	45%	0.446	S	S	*	.	H	α-helix	trans	-62.6	-41.7	175.5	-69.2	162.5	0	0	0	110.8	K45 T46 I52 G53	K45-I49 VanDerWaalsContact O-CG1 3.3Å; K45-I49 WeakPolarHBondContact O-CG1 3.36Å; K45-I49 PolarHBondContact O-N 3.24Å; T46-I49 PolarHBondContact O-N 3.21Å; I49-I52 PolarHBondContact O-N 3.15Å; I49-G53 PolarHBondContact O-N 3.33Å
50	L	92.4	Very high	90.3	Very high	109 Å²	109	88.4 Å²	88.4	57%	0.571	45%	0.454	S	S	*	.	H	α-helix	trans	-61	-46.9	175.4	-173.1	155.2	0	0	0	111.8	T46 L47 Q48 I52 G53 S54	T46-L50 PolarHBondContact O-N 3.02Å; L47-L50 PolarHBondContact O-N 3.36Å; Q48-L50 VanDerWaalsContact C-N 3.34Å; L50-I52 VanDerWaalsContact C-N 3.34Å; L50-I52 PolarHBondContact O-N 2.86Å; L50-G53 PolarHBondContact O-N 2.89Å; L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 3.42Å
51	W	90.7	Very high	90.7	Very high	79 Å²	79	87 Å²	87	30%	0.299	45%	0.447	S	S	.	.	H	α-helix	trans	-63.8	-37.1	175.5	-73.9	117.9	0	0	0	112.7	R38 V39 L47 Q48 S54 V55	R38-W51 HydrophobicContact CB-CD2 3.61Å; R38-W51 HydrophobicContact CB-CE3 3.98Å; R38-W51 HydrophobicContact CB-CG 3.87Å; R38-W51 HydrophobicContact CB-CZ2 4.28Å; R38-W51 HydrophobicContact CB-CZ3 4.47Å; R38-W51 HydrophobicContact CG-CD2 4.32Å; R38-W51 HydrophobicContact CG-CE3 4.4Å; R38-W51 HydrophobicContact CG-CH2 4.31Å; R38-W51 HydrophobicContact CG-CZ2 4.21Å; R38-W51 HydrophobicContact CG-CZ3 4.4Å; V39-W51 HydrophobicContact CG2-CB 3.65Å; L47-W51 PolarHBondContact O-N 2.96Å; Q48-W51 PolarHBondContact O-N 2.87Å; W51-S54 PolarHBondContact O-N 2.88Å; W51-V55 WeakPolarHBondContact O-CB 3.47Å; W51-V55 VanDerWaalsContact O-CG2 3.29Å; W51-V55 WeakPolarHBondContact O-CG2 3.27Å; W51-V55 PolarHBondContact O-N 2.89Å
52	I	91.9	Very high	91.1	Very high	69 Å²	69	83.4 Å²	83.4	35%	0.354	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-47	174.3	-71.7	165.6	0	0	0	110.5	V39 Q48 I49 L50 S54 V55 I56	V39-I52 HydrophobicContact CB-CG1 4.42Å; V39-I52 HydrophobicContact CG1-CD1 4.09Å; V39-I52 HydrophobicContact CG1-CG1 3.59Å; V39-I52 HydrophobicContact CG2-CG1 3.89Å; Q48-I52 HydrophobicContact CG-CD1 4.01Å; Q48-I52 VanDerWaalsContact O-CG1 3.25Å; Q48-I52 WeakPolarHBondContact O-CG1 3.49Å; Q48-I52 PolarHBondContact O-N 3.42Å; I49-I52 PolarHBondContact O-N 3.15Å; L50-I52 VanDerWaalsContact C-N 3.34Å; L50-I52 PolarHBondContact O-N 2.86Å; I52-S54 PolarHBondContact O-N 3.25Å; I52-V55 PolarHBondContact O-N 2.69Å; I52-I56 HydrophobicContact CG2-CD1 3.71Å; I52-I56 HydrophobicContact CG2-CG1 4.47Å; I52-I56 VanDerWaalsContact O-CG1 3.29Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 2.97Å
53	G	93.3	Very high	91.6	Very high	40 Å²	40	89.5 Å²	89.5	41%	0.412	45%	0.451	S	S	.	.	H	α-helix	trans	-60.5	-43.3	176.9	0	0	0	0	0	112.6	I49 L50 I56 L57	I49-G53 PolarHBondContact O-N 3.33Å; L50-G53 PolarHBondContact O-N 2.89Å; G53-I56 PolarHBondContact O-N 3.39Å; G53-L57 WeakPolarHBondContact O-CB 3.46Å; G53-L57 PolarHBondContact O-N 2.99Å
54	S	91.6	Very high	92.2	Very high	31 Å²	31	82.9 Å²	82.9	22%	0.217	43%	0.433	C	S	.	.	H	α-helix	trans	-63	-44	175.3	174.1	0	0	0	0	112.6	L50 W51 I52 L57 F58	L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 3.42Å; W51-S54 PolarHBondContact O-N 2.88Å; I52-S54 PolarHBondContact O-N 3.25Å; S54-L57 PolarHBondContact O-N 3.34Å; S54-F58 WeakPolarHBondContact O-CD2 3.46Å; S54-F58 PolarHBondContact O-N 2.89Å; S54-F58 VanDerWaalsContact OG-CE2 3.25Å; S54-F58 WeakPolarHBondContact OG-CE2 3.22Å
55	V	92	Very high	92.6	Very high	26 Å²	26	79.9 Å²	79.9	16%	0.158	42%	0.419	C	S	.	.	H	α-helix	trans	-62.6	-44.3	175.5	167.3	0	0	0	0	111.1	V39 W51 I52 L57 F58 F59	V39-V55 HydrophobicContact CG2-CG2 4.13Å; W51-V55 WeakPolarHBondContact O-CB 3.47Å; W51-V55 VanDerWaalsContact O-CG2 3.29Å; W51-V55 WeakPolarHBondContact O-CG2 3.27Å; W51-V55 PolarHBondContact O-N 2.89Å; I52-V55 PolarHBondContact O-N 2.69Å; V55-L57 PolarHBondContact O-N 3.38Å; V55-F58 PolarHBondContact O-N 3.02Å; V55-F59 HydrophobicContact CG1-CD2 3.8Å; V55-F59 HydrophobicContact CG1-CE2 3.85Å; V55-F59 WeakPolarHBondContact O-CB 3.46Å; V55-F59 VanDerWaalsContact O-CD2 3.3Å; V55-F59 WeakPolarHBondContact O-CD2 3.2Å; V55-F59 PolarHBondContact O-N 3.33Å
56	I	93.5	Very high	93	Very high	116 Å²	116	73.3 Å²	73.3	60%	0.595	39%	0.392	S	S	*	.	H	α-helix	trans	-61.5	-43.6	176.9	-69.9	167.4	0	0	0	111	I52 G53 G60	I52-I56 HydrophobicContact CG2-CD1 3.71Å; I52-I56 HydrophobicContact CG2-CG1 4.47Å; I52-I56 VanDerWaalsContact O-CG1 3.29Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 2.97Å; G53-I56 PolarHBondContact O-N 3.39Å; I56-G60 PolarHBondContact O-N 3.11Å
57	L	94.4	Very high	93.3	Very high	121 Å²	121	74.1 Å²	74.1	63%	0.634	39%	0.386	S	S	*	.	H	α-helix	trans	-61.1	-48.1	177.7	-179.7	62.9	0	0	0	111.9	G53 S54 V55 G60 G61	G53-L57 WeakPolarHBondContact O-CB 3.46Å; G53-L57 PolarHBondContact O-N 2.99Å; S54-L57 PolarHBondContact O-N 3.34Å; V55-L57 PolarHBondContact O-N 3.38Å; L57-G60 PolarHBondContact O-N 3.31Å; L57-G61 PolarHBondContact O-N 2.94Å
58	F	93.8	Very high	93.7	Very high	98 Å²	98	75 Å²	75	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-71.6	-36.8	-178.4	-69	-53	0	0	0	113.2	S54 V55 L62 W551	S54-F58 WeakPolarHBondContact O-CD2 3.46Å; S54-F58 PolarHBondContact O-N 2.89Å; S54-F58 VanDerWaalsContact OG-CE2 3.25Å; S54-F58 WeakPolarHBondContact OG-CE2 3.22Å; V55-F58 PolarHBondContact O-N 3.02Å; F58-L62 WeakPolarHBondContact O-CB 3.46Å; F58-L62 PolarHBondContact O-N 3.4Å; F58-W551 HydrophobicContact CB-CE3 4.15Å; F58-W551 AromaticContact CD1-CE3 3.74Å; F58-W551 HydrophobicContact CD1-CE3 3.74Å; F58-W551 AromaticContact CD1-CZ3 3.85Å; F58-W551 HydrophobicContact CD1-CZ3 3.85Å; F58-W551 HydrophobicContact CG-CE3 4.44Å; F58-W551 VanDerWaalsContact O-CE3 3.25Å
59	F	92.1	Very high	94	Very high	92 Å²	92	72.2 Å²	72.2	40%	0.404	38%	0.378	S	S	.	.	H	α-helix	trans	-66.2	-37.9	171.5	-88.3	-111.6	0	0	0	111.8	I33 V55 F63 I552	I33-F59 HydrophobicContact CG2-CZ 4.39Å; V55-F59 HydrophobicContact CG1-CD2 3.8Å; V55-F59 HydrophobicContact CG1-CE2 3.85Å; V55-F59 WeakPolarHBondContact O-CB 3.46Å; V55-F59 VanDerWaalsContact O-CD2 3.3Å; V55-F59 WeakPolarHBondContact O-CD2 3.2Å; V55-F59 PolarHBondContact O-N 3.33Å; F59-F63 PolarHBondContact O-N 2.97Å; F59-I552 HydrophobicContact CD1-CD1 3.76Å; F59-I552 HydrophobicContact CD2-CD1 3.68Å; F59-I552 HydrophobicContact CD2-CG1 4.04Å; F59-I552 HydrophobicContact CE1-CD1 3.71Å; F59-I552 HydrophobicContact CE2-CD1 3.63Å; F59-I552 HydrophobicContact CE2-CG1 3.98Å; F59-I552 HydrophobicContact CE2-CG2 4.09Å; F59-I552 HydrophobicContact CG-CD1 3.77Å; F59-I552 HydrophobicContact CZ-CD1 3.66Å; F59-I552 HydrophobicContact CZ-CG1 4.42Å; F59-I552 HydrophobicContact CZ-CG2 4.16Å
60	G	94.8	Very high	94.1	Very high	32 Å²	32	69.2 Å²	69.2	33%	0.33	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-45.7	175.5	0	0	0	0	0	112.6	I56 L57 F63 I64	I56-G60 PolarHBondContact O-N 3.11Å; L57-G60 PolarHBondContact O-N 3.31Å; G60-F63 PolarHBondContact O-N 3.24Å; G60-I64 WeakPolarHBondContact O-CG1 3.48Å; G60-I64 PolarHBondContact O-N 3.37Å
61	G	94.9	Very high	94.3	Very high	13 Å²	13	69.8 Å²	69.8	13%	0.134	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-44	175	0	0	0	0	0	112.8	L57 F63 I64 C65	L57-G61 PolarHBondContact O-N 2.94Å; G61-F63 VanDerWaalsContact C-N 3.34Å; G61-F63 PolarHBondContact O-N 3.47Å; G61-I64 PolarHBondContact O-N 3.07Å; G61-C65 PolarHBondContact O-N 2.94Å; G61-C65 PolarHBondContact O-SG 3.32Å
62	L	95.2	Very high	94.4	Very high	12 Å²	12	69.8 Å²	69.8	6%	0.063	36%	0.363	C	S	.	.	H	α-helix	trans	-56.5	-47.6	171.8	176.9	63.5	0	0	0	111.8	F58 I64 C65 M66 L547 F548 W551 I552	F58-L62 WeakPolarHBondContact O-CB 3.46Å; F58-L62 PolarHBondContact O-N 3.4Å; L62-I64 VanDerWaalsContact C-N 3.31Å; L62-I64 PolarHBondContact O-N 3.47Å; L62-C65 PolarHBondContact O-N 2.94Å; L62-M66 HydrophobicContact CD1-CG 3.77Å; L62-M66 HydrophobicContact CG-CG 4.16Å; L62-M66 WeakPolarHBondContact O-CB 3.44Å; L62-M66 WeakPolarHBondContact O-CG 3.46Å; L62-M66 PolarHBondContact O-N 3.27Å; L62-L547 HydrophobicContact CD1-CB 3.67Å; L62-F548 HydrophobicContact CD1-CD1 4.48Å; L62-F548 HydrophobicContact CD2-CD1 3.68Å; L62-F548 HydrophobicContact CD2-CE1 3.85Å; L62-W551 HydrophobicContact CB-CB 3.8Å; L62-W551 HydrophobicContact CB-CD2 4.35Å; L62-W551 HydrophobicContact CB-CG 3.84Å; L62-W551 HydrophobicContact CD1-CB 4.22Å; L62-W551 HydrophobicContact CD1-CG 4.2Å; L62-W551 HydrophobicContact CG-CB 4.43Å; L62-I552 HydrophobicContact CD2-CD1 3.3Å; L62-I552 HydrophobicContact CD2-CG1 3.99Å
63	F	95.3	Very high	94.5	Very high	150 Å²	150	68.7 Å²	68.7	66%	0.658	36%	0.355	S	S	*	.	H	α-helix	trans	-61.2	-40.3	-179.2	-176.4	-94.7	0	0	0	111.9	F59 G60 G61 F67	F59-F63 PolarHBondContact O-N 2.97Å; G60-F63 PolarHBondContact O-N 3.24Å; G61-F63 VanDerWaalsContact C-N 3.34Å; G61-F63 PolarHBondContact O-N 3.47Å; F63-F67 VanDerWaalsContact O-CB 3.28Å; F63-F67 WeakPolarHBondContact O-CB 3.42Å; F63-F67 PolarHBondContact O-N 3.13Å
64	I	96.8	Very high	94.6	Very high	101 Å²	101	71.2 Å²	71.2	52%	0.518	36%	0.358	S	S	.	.	H	α-helix	trans	-64.9	-48.8	175.6	-66.9	164.1	0	0	0	110.9	G60 G61 L62 M66 F67 I68	G60-I64 WeakPolarHBondContact O-CG1 3.48Å; G60-I64 PolarHBondContact O-N 3.37Å; G61-I64 PolarHBondContact O-N 3.07Å; L62-I64 VanDerWaalsContact C-N 3.31Å; L62-I64 PolarHBondContact O-N 3.47Å; I64-M66 PolarHBondContact O-N 3.01Å; I64-F67 PolarHBondContact O-N 3.06Å; I64-I68 HydrophobicContact CG2-CD1 3.85Å; I64-I68 WeakPolarHBondContact O-CG1 3.33Å; I64-I68 PolarHBondContact O-N 3.23Å
65	C	96.4	Very high	94.7	Very high	38 Å²	38	74.1 Å²	74.1	26%	0.257	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-43.4	177.6	-69.5	0	0	0	0	112.4	G61 L62 I68 L69 L547	G61-C65 PolarHBondContact O-N 2.94Å; G61-C65 PolarHBondContact O-SG 3.32Å; L62-C65 PolarHBondContact O-N 2.94Å; C65-I68 PolarHBondContact O-N 2.85Å; C65-L69 WeakPolarHBondContact O-CB 3.35Å; C65-L69 PolarHBondContact O-N 3.38Å; C65-L547 HydrophobicContact CB-CD1 3.97Å; C65-L547 HydrophobicContact CB-CD2 3.74Å; C65-L547 HydrophobicContact CB-CG 4.5Å
66	M	95.5	Very high	94.7	Very high	36 Å²	36	76.4 Å²	76.4	18%	0.177	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-38.4	175.5	-75.1	-60.8	-54.6	0	0	112.1	L62 I64 T70 L547 F548	L62-M66 HydrophobicContact CD1-CG 3.77Å; L62-M66 HydrophobicContact CG-CG 4.16Å; L62-M66 WeakPolarHBondContact O-CB 3.44Å; L62-M66 WeakPolarHBondContact O-CG 3.46Å; L62-M66 PolarHBondContact O-N 3.27Å; I64-M66 PolarHBondContact O-N 3.01Å; M66-T70 VanDerWaalsContact O-CB 3.25Å; M66-T70 WeakPolarHBondContact O-CB 3.27Å; M66-T70 PolarHBondContact O-N 2.85Å; M66-T70 PolarHBondContact O-OG1 3.01Å; M66-L547 HydrophobicContact CG-CD1 4.38Å; M66-L547 HydrophobicContact SD-CB 4.27Å; M66-L547 HydrophobicContact SD-CD1 3.74Å; M66-F548 HydrophobicContact CE-CE2 4.42Å; M66-F548 HydrophobicContact SD-CE2 4.41Å
67	F	96.1	Very high	94.7	Very high	124 Å²	124	74.6 Å²	74.6	54%	0.544	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-45.5	174.7	178	-99	0	0	0	111.7	F63 I64 T70 R71	F63-F67 VanDerWaalsContact O-CB 3.28Å; F63-F67 WeakPolarHBondContact O-CB 3.42Å; F63-F67 PolarHBondContact O-N 3.13Å; I64-F67 PolarHBondContact O-N 3.06Å; F67-T70 PolarHBondContact O-N 3.47Å; F67-R71 HydrophobicContact CD1-CG 4.18Å; F67-R71 HydrophobicContact CE1-CG 3.78Å; F67-R71 HydrophobicContact CE2-CG 4.21Å; F67-R71 HydrophobicContact CZ-CG 3.8Å; F67-R71 WeakPolarHBondContact O-CB 3.22Å; F67-R71 WeakPolarHBondContact O-CG 3.3Å; F67-R71 PolarHBondContact O-N 3.24Å
68	I	96	Very high	94.7	Very high	99 Å²	99	70.7 Å²	70.7	51%	0.508	35%	0.347	S	S	.	.	H	α-helix	trans	-61.6	-48.2	176.8	-67.4	165.6	0	0	0	110.8	I64 C65 T70 R71 Q72	I64-I68 HydrophobicContact CG2-CD1 3.85Å; I64-I68 WeakPolarHBondContact O-CG1 3.33Å; I64-I68 PolarHBondContact O-N 3.23Å; C65-I68 PolarHBondContact O-N 2.85Å; I68-T70 VanDerWaalsContact C-N 3.33Å; I68-T70 PolarHBondContact O-N 3.11Å; I68-R71 WeakPolarHBondContact O-CB 3.11Å; I68-R71 PolarHBondContact O-N 3.29Å; I68-Q72 WeakPolarHBondContact O-CB 3.37Å; I68-Q72 PolarHBondContact O-N 2.94Å
69	L	95.7	Very high	94.6	Very high	10 Å²	10	70.4 Å²	70.4	5%	0.052	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-39.5	178.2	-176.8	64.8	0	0	0	112.1	C65 Q72 Y73 L535 L540 Q543 L547	C65-L69 WeakPolarHBondContact O-CB 3.35Å; C65-L69 PolarHBondContact O-N 3.38Å; L69-Q72 PolarHBondContact O-N 3.45Å; L69-Y73 PolarHBondContact O-N 2.59Å; L69-L535 HydrophobicContact CD1-CD1 4.32Å; L69-L535 HydrophobicContact CD1-CD2 3.7Å; L69-L535 HydrophobicContact CG-CD2 4.47Å; L69-L540 HydrophobicContact CD1-CD1 4.48Å; L69-L540 HydrophobicContact CD2-CD1 3.93Å; L69-L540 HydrophobicContact CG-CD1 3.74Å; L69-Q543 HydrophobicContact CD1-CB 4.38Å; L69-Q543 HydrophobicContact CD2-CB 3.76Å; L69-L547 HydrophobicContact CD2-CD1 3.98Å
70	T	94.3	Very high	94.6	Very high	57 Å²	57	70.7 Å²	70.7	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-67.8	-38.3	175.7	-55.2	0	0	0	0	111.5	M66 F67 I68 Y73 L74	M66-T70 VanDerWaalsContact O-CB 3.25Å; M66-T70 WeakPolarHBondContact O-CB 3.27Å; M66-T70 PolarHBondContact O-N 2.85Å; M66-T70 PolarHBondContact O-OG1 3.01Å; F67-T70 PolarHBondContact O-N 3.47Å; I68-T70 VanDerWaalsContact C-N 3.33Å; I68-T70 PolarHBondContact O-N 3.11Å; T70-Y73 PolarHBondContact O-N 3.33Å; T70-L74 HydrophobicContact CG2-CD1 3.96Å; T70-L74 HydrophobicContact CG2-CG 4.47Å; T70-L74 WeakPolarHBondContact O-CB 3.49Å; T70-L74 VanDerWaalsContact O-CG 3.27Å; T70-L74 WeakPolarHBondContact O-CG 3.47Å; T70-L74 PolarHBondContact O-N 3.13Å
71	R	95.6	Very high	94.4	Very high	121 Å²	121	71.4 Å²	71.4	46%	0.457	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-49.7	173.3	-83	-65.2	-47.8	178.5	8.1	111.4	F67 I68 Y73 L74 E75	F67-R71 HydrophobicContact CD1-CG 4.18Å; F67-R71 HydrophobicContact CE1-CG 3.78Å; F67-R71 HydrophobicContact CE2-CG 4.21Å; F67-R71 HydrophobicContact CZ-CG 3.8Å; F67-R71 WeakPolarHBondContact O-CB 3.22Å; F67-R71 WeakPolarHBondContact O-CG 3.3Å; F67-R71 PolarHBondContact O-N 3.24Å; I68-R71 WeakPolarHBondContact O-CB 3.11Å; I68-R71 PolarHBondContact O-N 3.29Å; R71-Y73 VanDerWaalsContact C-N 3.29Å; R71-Y73 PolarHBondContact O-N 3.2Å; R71-L74 PolarHBondContact O-N 2.9Å; R71-L74 VanDerWaalsContact O-N 3.15Å; R71-E75 IonicContact CZ-OE1 3.65Å; R71-E75 IonicContact NE-OE1 2.69Å; R71-E75 IonicContact NH2-OE1 3.19Å; R71-E75 PolarHBondContact NH2-OE1 3.37Å; R71-E75 WeakPolarHBondContact O-CG 3.33Å; R71-E75 PolarHBondContact O-N 3.14Å; R71-E75 VanDerWaalsContact O-N 3.1Å
72	Q	94.2	Very high	94.1	Very high	80 Å²	80	76.9 Å²	76.9	37%	0.374	38%	0.384	S	S	.	.	H	α-helix	trans	-61.2	-35.5	178	-173.8	179.8	-2.4	0	0	112.5	I68 L69	I68-Q72 WeakPolarHBondContact O-CB 3.37Å; I68-Q72 PolarHBondContact O-N 2.94Å; L69-Q72 PolarHBondContact O-N 3.45Å
73	Y	94	Very high	94	Very high	46 Å²	46	80.7 Å²	80.7	18%	0.18	40%	0.401	C	S	.	.	H	α-helix	trans	-65.8	-46.9	172.3	-176.8	-105.3	0	0	0	112.4	L69 T70 R71 E75 Y76 L535 L540	L69-Y73 PolarHBondContact O-N 2.59Å; T70-Y73 PolarHBondContact O-N 3.33Å; R71-Y73 VanDerWaalsContact C-N 3.29Å; R71-Y73 PolarHBondContact O-N 3.2Å; Y73-E75 PolarHBondContact O-N 3.5Å; Y73-Y76 PolarHBondContact O-N 3.26Å; Y73-Y76 VanDerWaalsContact O-N 3.12Å; Y73-L535 HydrophobicContact CD2-CD2 4.17Å; Y73-L535 HydrophobicContact CD2-CG 4.28Å; Y73-L540 HydrophobicContact CD1-CD2 3.88Å; Y73-L540 HydrophobicContact CD2-CB 4.21Å; Y73-L540 HydrophobicContact CD2-CD2 3.8Å; Y73-L540 HydrophobicContact CD2-CG 4.47Å; Y73-L540 HydrophobicContact CE1-CD2 4.08Å; Y73-L540 HydrophobicContact CE2-CB 4.48Å; Y73-L540 HydrophobicContact CE2-CD2 3.99Å; Y73-L540 HydrophobicContact CG-CD2 3.73Å
74	L	94.3	Very high	94	Very high	93 Å²	93	77.2 Å²	77.2	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-74.2	-3.2	-178.3	-68.4	173.7	0	0	0	114.4	T70 R71 Y76	T70-L74 HydrophobicContact CG2-CD1 3.96Å; T70-L74 HydrophobicContact CG2-CG 4.47Å; T70-L74 WeakPolarHBondContact O-CB 3.49Å; T70-L74 VanDerWaalsContact O-CG 3.27Å; T70-L74 WeakPolarHBondContact O-CG 3.47Å; T70-L74 PolarHBondContact O-N 3.13Å; R71-L74 PolarHBondContact O-N 2.9Å; R71-L74 VanDerWaalsContact O-N 3.15Å; L74-Y76 VanDerWaalsContact O-CD2 3.24Å; L74-Y76 WeakPolarHBondContact O-CD2 3.25Å; L74-Y76 WeakPolarHBondContact O-CE2 3.48Å
75	E	93.8	Very high	93.8	Very high	92 Å²	92	74.8 Å²	74.8	43%	0.43	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-11.3	169.3	-76.2	161.1	-164.1	0	0	112.6	R71 Y73 N77	R71-E75 IonicContact CZ-OE1 3.65Å; R71-E75 IonicContact NE-OE1 2.69Å; R71-E75 IonicContact NH2-OE1 3.19Å; R71-E75 PolarHBondContact NH2-OE1 3.37Å; R71-E75 WeakPolarHBondContact O-CG 3.33Å; R71-E75 PolarHBondContact O-N 3.14Å; R71-E75 VanDerWaalsContact O-N 3.1Å; Y73-E75 PolarHBondContact O-N 3.5Å; E75-N77 WeakPolarHBondContact CB-ND2 3.29Å; E75-N77 PolarHBondContact O-N 3.17Å
76	Y	92.6	Very high	93.6	Very high	74 Å²	74	82.4 Å²	82.4	29%	0.29	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	25.9	174.7	-58.5	-78.5	0	0	0	115.3	Y73 L74 P297 Y298	Y73-Y76 PolarHBondContact O-N 3.26Å; Y73-Y76 VanDerWaalsContact O-N 3.12Å; L74-Y76 VanDerWaalsContact O-CD2 3.24Å; L74-Y76 WeakPolarHBondContact O-CD2 3.25Å; L74-Y76 WeakPolarHBondContact O-CE2 3.48Å; Y76-P297 HydrophobicContact CD1-CB 4.15Å; Y76-P297 HydrophobicContact CD1-CG 3.57Å; Y76-P297 HydrophobicContact CD2-CB 4.03Å; Y76-P297 HydrophobicContact CD2-CG 4.3Å; Y76-P297 HydrophobicContact CE1-CB 4.31Å; Y76-P297 HydrophobicContact CE1-CG 3.55Å; Y76-P297 HydrophobicContact CE2-CB 4.2Å; Y76-P297 HydrophobicContact CE2-CG 4.29Å; Y76-P297 HydrophobicContact CG-CB 4.01Å; Y76-P297 HydrophobicContact CG-CG 3.96Å; Y76-Y298 HydrophobicContact CD1-CD1 4.23Å; Y76-Y298 HydrophobicContact CD1-CD2 4.38Å; Y76-Y298 AromaticContact CD1-CE1 3.88Å; Y76-Y298 HydrophobicContact CD1-CE1 3.88Å; Y76-Y298 HydrophobicContact CD1-CE2 4.04Å; Y76-Y298 HydrophobicContact CD1-CG 4.46Å; Y76-Y298 AromaticContact CD1-CZ 3.78Å; Y76-Y298 VanDerWaalsContact O-CD1 3.28Å; Y76-Y298 WeakPolarHBondContact O-CD1 3.47Å
77	N	93.3	Very high	93.3	Very high	78 Å²	78	86.6 Å²	86.6	42%	0.417	43%	0.426	S	S	.	.			trans	-56	138.6	-177.6	-66.3	-54	0	0	0	112.4	E75 V534	E75-N77 WeakPolarHBondContact CB-ND2 3.29Å; E75-N77 PolarHBondContact O-N 3.17Å; N77-V534 HydrophobicContact CB-CB 4.33Å; N77-V534 HydrophobicContact CB-CG2 4.02Å; N77-V534 WeakPolarHBondContact O-CB 3.3Å; N77-V534 WeakPolarHBondContact O-CG2 3.46Å; N77-V534 PolarHBondContact O-N 2.82Å
78	V	93.3	Very high	93	Very high	38 Å²	38	82.7 Å²	82.7	23%	0.23	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	159.2	176.2	-66.1	0	0	0	0	111.8	K294 Y298 E531 K532	V78-K294 HydrophobicContact CG1-CG 4.47Å; V78-Y298 HydrophobicContact CG1-CD1 4.12Å; V78-E531 HydrophobicContact CB-CB 4.45Å; V78-E531 HydrophobicContact CB-CG 4.48Å; V78-E531 HydrophobicContact CG2-CG 4.19Å; V78-K532 CarbonylContact C-O 3.44Å; V78-K532 VanDerWaalsContact CA-O 3.25Å; V78-K532 WeakPolarHBondContact CA-O 3.49Å
79	I	92.8	Very high	92.7	Very high	92 Å²	92	82.2 Å²	82.2	47%	0.472	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.9	174.3	44.7	163.5	0	0	0	110.7	P81 K532 V534	I79-P81 VanDerWaalsContact O-CD 3.28Å; I79-P81 WeakPolarHBondContact O-CD 3.43Å; I79-K532 HydrophobicContact CG1-CB 4.36Å; I79-K532 WeakPolarHBondContact CG1-O 3.16Å; I79-K532 PolarHBondContact N-O 2.72Å; I79-K532 PolarHBondContact O-N 2.68Å; I79-V534 HydrophobicContact CB-CG2 4.4Å; I79-V534 HydrophobicContact CG1-CG2 4.19Å; I79-V534 HydrophobicContact CG2-CG2 3.66Å
80	H	92.3	Very high	92.6	Very high	99 Å²	99	81.7 Å²	81.7	46%	0.458	41%	0.413	S	S	.	.			trans	-115.2	82.4	-178.5	-47.6	-83.7	0	0	0	110.4	P82 V529 E531	H80-P82 WeakPolarHBondContact O-CD 3.37Å; H80-V529 HydrophobicContact CB-CG1 4.05Å; H80-E531 WeakPolarHBondContact CE1-CG 3.4Å; H80-E531 IonicContact CE1-OE1 3.81Å; H80-E531 WeakPolarHBondContact ND1-CG 3.26Å
81	P	90.2	Very high	92.7	Very high	47 Å²	47	80.2 Å²	80.2	31%	0.305	41%	0.405	S	S	.	.			trans	-64	121.6	175.2	25.7	-34.3	0	0	0	110.4	I79 Q83 D530 K532	I79-P81 VanDerWaalsContact O-CD 3.28Å; I79-P81 WeakPolarHBondContact O-CD 3.43Å; P81-Q83 PolarHBondContact O-N 3.15Å; P81-D530 WeakPolarHBondContact CD-O 3.4Å; P81-K532 HydrophobicContact CG-CD 3.85Å; P81-K532 HydrophobicContact CG-CG 4.33Å
82	P	88.4	Confident	92.7	Very high	128 Å²	128	74.5 Å²	74.5	83%	0.831	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.2	-179.4	28.4	-34	0	0	0	110.5	H80	H80-P82 WeakPolarHBondContact O-CD 3.37Å
83	Q	93.6	Very high	92.9	Very high	91 Å²	91	70.9 Å²	70.9	43%	0.425	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.2	173.3	177.3	177.9	23.7	0	0	109.4	P81 L85 K528	P81-Q83 PolarHBondContact O-N 3.15Å; Q83-L85 HydrophobicContact CG-CD2 4.4Å; Q83-K528 HydrophobicContact CB-CB 4.22Å; Q83-K528 PolarHBondContact N-O 3.35Å; Q83-K528 PolarHBondContact O-N 3.04Å
84	V	94.1	Very high	93.1	Very high	77 Å²	77	68.8 Å²	68.8	47%	0.467	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.1	171.6	-176	0	0	0	0	108.5	N525	V84-N525 HydrophobicContact CG1-CB 3.94Å
85	L	93.2	Very high	93.2	Very high	51 Å²	51	64.4 Å²	64.4	27%	0.267	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.7	170.8	-60.1	167.5	0	0	0	107.7	Q83 T88 N525 V526 K528	Q83-L85 HydrophobicContact CG-CD2 4.4Å; L85-T88 WeakPolarHBondContact CB-OG1 3.25Å; L85-T88 HydrophobicContact CD1-CG2 4.49Å; L85-N525 CarbonylContact O-C 3.48Å; L85-N525 WeakPolarHBondContact O-CA 3.31Å; L85-V526 HydrophobicContact CB-CB 4.39Å; L85-V526 PolarHBondContact N-O 3.38Å; L85-V526 PolarHBondContact O-N 2.85Å; L85-K528 HydrophobicContact CD1-CB 4.17Å; L85-K528 HydrophobicContact CD1-CD 4.16Å; L85-K528 HydrophobicContact CD1-CG 4.29Å; L85-K528 HydrophobicContact CG-CB 4.42Å
86	R	92.7	Very high	93.5	Very high	198 Å²	198	60.1 Å²	60.1	75%	0.747	32%	0.316	S	S	*	.	S	Bend	trans	-90.1	151.8	176.4	-67.1	-173.7	179.7	176.4	-0.2	111.3	T88 N525	R86-T88 PolarHBondContact O-N 3.16Å; R86-T88 PolarHBondContact O-OG1 2.88Å; R86-N525 WeakPolarHBondContact CA-OD1 3.49Å
87	D	88.3	Confident	93.7	Very high	123 Å²	123	56.7 Å²	56.7	66%	0.658	30%	0.302	S	S	*	.	S	Bend	trans	41.8	43.2	171.5	-58.2	-59.7	0	0	0	114.6	F524	D87-F524 CarbonylContact C-O 3.6Å; D87-F524 WeakPolarHBondContact CA-O 3.42Å; D87-F524 PolarHBondContact N-O 3.22Å
88	T	90.7	Very high	93.9	Very high	42 Å²	42	53.1 Å²	53.1	26%	0.258	28%	0.284	S	S	.	.			trans	-100.9	123.4	-170.9	-67.7	0	0	0	0	110.3	L85 R86 S90 F524 V526	L85-T88 WeakPolarHBondContact CB-OG1 3.25Å; L85-T88 HydrophobicContact CD1-CG2 4.49Å; R86-T88 PolarHBondContact O-N 3.16Å; R86-T88 PolarHBondContact O-OG1 2.88Å; T88-S90 PolarHBondContact O-N 3.34Å; T88-S90 PolarHBondContact O-OG 3.16Å; T88-S90 VanDerWaalsContact O-OG 3.12Å; T88-F524 PolarHBondContact N-O 3.21Å; T88-V526 HydrophobicContact CG2-CG2 4.05Å
89	P	89.8	Confident	94.1	Very high	89 Å²	89	51.8 Å²	51.8	58%	0.578	28%	0.275	S	S	*	.			trans	-52.3	126.2	175.4	-28.4	35.9	0	0	0	111.7	N221	P89-N221 HydrophobicContact CB-CB 4.46Å
90	S	94	Very high	94.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.			trans	-151	141.6	-175.5	39.6	0	0	0	0	109	T88 N221 R521	T88-S90 PolarHBondContact O-N 3.34Å; T88-S90 PolarHBondContact O-OG 3.16Å; T88-S90 VanDerWaalsContact O-OG 3.12Å; S90-N221 VanDerWaalsContact C-OD1 3.29Å; S90-N221 WeakPolarHBondContact O-CA 3.44Å; S90-N221 PolarHBondContact O-OD1 3.43Å; S90-R521 PolarHBondContact O-NH1 3.06Å; S90-R521 PolarHBondContact OG-NH1 3.49Å
91	P	95.5	Very high	94.1	Very high	26 Å²	26	44.9 Å²	44.9	17%	0.169	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-64.8	147.6	-179.6	26.9	-33.1	0	0	0	110.8	R220 F446 Y448	P91-R220 HydrophobicContact CB-CB 4.19Å; P91-F446 VanDerWaalsContact CD-CE2 3.49Å; P91-F446 HydrophobicContact CG-CD2 3.61Å; P91-F446 HydrophobicContact CG-CE2 3.81Å; P91-F446 HydrophobicContact CG-CG 4.05Å; P91-F446 HydrophobicContact CG-CZ 4.4Å; P91-Y448 PolarHBondContact O-OH 2.91Å
92	F	96.7	Very high	94.3	Very high	1 Å²	1	43 Å²	43	0%	0.004	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-80.9	142.9	166.3	-158	-90.7	0	0	0	109.2	I215 R220 V223 I226 L519 R521	F92-I215 HydrophobicContact CB-CD1 4.31Å; F92-I215 HydrophobicContact CD1-CD1 3.66Å; F92-I215 HydrophobicContact CE1-CD1 4.34Å; F92-I215 HydrophobicContact CG-CD1 4.2Å; F92-R220 WeakPolarHBondContact CB-O 3.11Å; F92-R220 PolarHBondContact N-O 3.33Å; F92-V223 HydrophobicContact CB-CB 4.13Å; F92-V223 HydrophobicContact CB-CG1 4.49Å; F92-V223 HydrophobicContact CD1-CG1 4.04Å; F92-V223 HydrophobicContact CD2-CB 3.88Å; F92-V223 HydrophobicContact CD2-CG1 3.67Å; F92-V223 WeakPolarHBondContact CD2-O 3.13Å; F92-V223 HydrophobicContact CE1-CG1 4.16Å; F92-V223 HydrophobicContact CE2-CB 4.45Å; F92-V223 HydrophobicContact CE2-CG1 3.78Å; F92-V223 HydrophobicContact CG-CB 3.95Å; F92-V223 HydrophobicContact CG-CG1 3.8Å; F92-V223 HydrophobicContact CZ-CG1 4.03Å; F92-I226 HydrophobicContact CD1-CD1 4.24Å; F92-I226 HydrophobicContact CD1-CG1 4.48Å; F92-I226 HydrophobicContact CE1-CD1 3.65Å; F92-I226 HydrophobicContact CE1-CG1 3.69Å; F92-I226 HydrophobicContact CZ-CG1 4.22Å; F92-L519 HydrophobicContact CE1-CD2 3.84Å; F92-L519 HydrophobicContact CE1-CG 4.12Å; F92-L519 HydrophobicContact CZ-CD2 4.35Å; F92-L519 HydrophobicContact CZ-CG 4.13Å; F92-R521 HydrophobicContact CD2-CB 4.13Å; F92-R521 HydrophobicContact CE2-CB 3.65Å
93	P	97.6	Very high	94.5	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.026	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-65.7	164.6	178.2	28.2	-38.1	0	0	0	113.3	V260 H261 V286 Y448 L519	P93-V260 HydrophobicContact CB-CG1 3.65Å; P93-V260 HydrophobicContact CG-CG1 3.64Å; P93-H261 CarbonylContact C-O 3.55Å; P93-H261 WeakPolarHBondContact CA-O 3.49Å; P93-H261 WeakPolarHBondContact CB-O 3.41Å; P93-V286 HydrophobicContact CG-CG1 4.28Å; P93-Y448 HydrophobicContact CB-CD1 4.44Å; P93-Y448 HydrophobicContact CB-CD2 3.88Å; P93-Y448 HydrophobicContact CB-CE1 4.32Å; P93-Y448 HydrophobicContact CB-CE2 3.74Å; P93-Y448 HydrophobicContact CB-CG 4.22Å; P93-Y448 HydrophobicContact CG-CD1 4.4Å; P93-Y448 HydrophobicContact CG-CE1 4.37Å; P93-L519 HydrophobicContact CG-CD2 4.23Å
94	S	97.6	Very high	94.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	152.8	161.1	-72.6	0	0	0	0	110.1	Y213 D214 H261 A263 E264	S94-Y213 WeakPolarHBondContact CA-O 3.3Å; S94-Y213 WeakPolarHBondContact CB-O 3.46Å; S94-Y213 PolarHBondContact OG-O 3.31Å; S94-D214 WeakPolarHBondContact CB-OD1 3.28Å; S94-D214 PolarHBondContact OG-OD1 3.1Å; S94-H261 VanDerWaalsContact CB-CE1 3.43Å; S94-H261 WeakPolarHBondContact CB-CE1 3.49Å; S94-H261 PolarHBondContact N-O 3.36Å; S94-H261 PolarHBondContact O-N 2.94Å; S94-A263 WeakPolarHBondContact OG-CA 3.13Å; S94-E264 PolarHBondContact OG-N 3.44Å
95	L	97.8	Very high	94.2	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.6	178.8	178.3	58.9	0	0	0	109.4	T212 Y213 L228 V258 V260 L519	L95-T212 WeakPolarHBondContact O-CA 3.37Å; L95-Y213 PolarHBondContact N-O 3.49Å; L95-Y213 PolarHBondContact O-N 2.82Å; L95-L228 HydrophobicContact CD2-CD1 3.7Å; L95-V258 HydrophobicContact CD1-CB 3.97Å; L95-V258 HydrophobicContact CD1-CG1 4.46Å; L95-V258 HydrophobicContact CD1-CG2 4.47Å; L95-V260 HydrophobicContact CD1-CG2 4.13Å; L95-L519 HydrophobicContact CB-CD2 3.92Å; L95-L519 HydrophobicContact CD1-CD2 4.26Å; L95-L519 HydrophobicContact CD2-CB 4.29Å; L95-L519 HydrophobicContact CD2-CD2 4.11Å; L95-L519 HydrophobicContact CG-CD2 4.32Å
96	T	98.3	Very high	94	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.3	170.8	-69.8	0	0	0	0	110.3	F202 Y211 T212 V258 T259 H261 P267 I269	T96-F202 HydrophobicContact CG2-CE1 4.02Å; T96-F202 HydrophobicContact CG2-CZ 3.92Å; T96-Y211 CarbonylContact C-O 3.56Å; T96-Y211 WeakPolarHBondContact CA-O 3.49Å; T96-T212 WeakPolarHBondContact OG1-CB 3.36Å; T96-T212 PolarHBondContact OG1-OG1 3.29Å; T96-V258 CarbonylContact O-C 3.55Å; T96-V258 WeakPolarHBondContact O-CA 3.34Å; T96-V258 WeakPolarHBondContact O-CB 3.42Å; T96-T259 PolarHBondContact N-O 3.3Å; T96-T259 PolarHBondContact O-N 2.92Å; T96-H261 PolarHBondContact OG1-NE2 3.46Å; T96-P267 HydrophobicContact CG2-CB 4.24Å; T96-P267 HydrophobicContact CG2-CG 3.97Å; T96-I269 HydrophobicContact CG2-CD1 4.08Å; T96-I269 HydrophobicContact CG2-CG1 4.09Å
97	L	98.1	Very high	94	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131	179.8	172	67.2	0	0	0	109.6	T174 V175 Y211 V230 A256 V258 I517	L97-T174 HydrophobicContact CD2-CG2 4.38Å; L97-V175 HydrophobicContact CD2-CG2 3.85Å; L97-Y211 PolarHBondContact N-O 3.47Å; L97-Y211 PolarHBondContact O-N 3.01Å; L97-V230 HydrophobicContact CD1-CG2 4.49Å; L97-V230 HydrophobicContact CD2-CG2 3.78Å; L97-A256 HydrophobicContact CD1-CB 3.75Å; L97-V258 HydrophobicContact CB-CG1 4.42Å; L97-V258 HydrophobicContact CD1-CG1 3.68Å; L97-I517 HydrophobicContact CD1-CD1 4.01Å
98	C	97.7	Very high	94	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.02	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.9	166.8	-37.4	0	0	0	0	110.2	Y207 C210 A256 V257 I269	C98-Y207 HydrophobicContact CB-CD2 4.23Å; C98-Y207 HydrophobicContact CB-CG 4.05Å; C98-C210 HydrophobicContact CB-CB 4.14Å; C98-C210 WeakPolarHBondContact CB-SG 3.41Å; C98-C210 WeakPolarHBondContact SG-CB 3.29Å; C98-C210 CovalentContact SG-SG 2.04Å; C98-C210 PolarHBondContact SG-SG 3.32Å; C98-A256 WeakPolarHBondContact O-CA 3.3Å; C98-V257 HydrophobicContact CB-CG1 3.79Å; C98-V257 PolarHBondContact N-O 3.16Å; C98-V257 PolarHBondContact O-N 3.3Å; C98-I269 VanDerWaalsContact SG-CD1 3.55Å
99	N	96	Very high	94.1	Very high	10 Å²	10	26 Å²	26	5%	0.053	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.6	168.1	-165	-12.6	0	0	0	109.3	R101 H169 Y207 L232 G255	N99-R101 VanDerWaalsContact C-N 3.25Å; N99-R101 VanDerWaalsContact CB-O 3.27Å; N99-R101 WeakPolarHBondContact CB-O 3.39Å; N99-R101 PolarHBondContact ND2-O 3.29Å; N99-R101 PolarHBondContact OD1-N 2.98Å; N99-H169 PolarHBondContact ND2-CD2 3.4Å; N99-H169 PolarHBondContact ND2-CE1 3.13Å; N99-H169 PolarHBondContact ND2-NE2 2.83Å; N99-Y207 WeakPolarHBondContact O-CD1 3.29Å; N99-L232 PolarHBondContact ND2-O 3.29Å; N99-G255 PolarHBondContact OD1-O 3.34Å
100	L	94.3	Very high	94.3	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.042	12%	0.123	C	C	.	.	S	Bend	trans	-69.9	-28.4	174.1	-68.4	174	0	0	0	111.6	Y207 L253 G255 V257	L100-Y207 HydrophobicContact CD2-CE1 3.76Å; L100-L253 HydrophobicContact CB-CB 4.36Å; L100-L253 VanDerWaalsContact CB-O 3.24Å; L100-L253 WeakPolarHBondContact CB-O 3.44Å; L100-L253 HydrophobicContact CD1-CB 4.03Å; L100-G255 WeakPolarHBondContact CB-O 3.24Å; L100-G255 WeakPolarHBondContact CG-O 3.45Å; L100-G255 PolarHBondContact N-O 2.94Å; L100-V257 HydrophobicContact CD2-CB 3.85Å; L100-V257 HydrophobicContact CD2-CG1 4.13Å
101	R	92.6	Very high	94.4	Very high	38 Å²	38	23.2 Å²	23.2	14%	0.143	12%	0.123	C	C	.	.	S	Bend	trans	-89.6	118.3	169.3	-50.5	-66.2	-72.9	103.8	27.9	107.6	N99 H169 C241 D243 S251 L253	N99-R101 VanDerWaalsContact C-N 3.25Å; N99-R101 VanDerWaalsContact CB-O 3.27Å; N99-R101 WeakPolarHBondContact CB-O 3.39Å; N99-R101 PolarHBondContact ND2-O 3.29Å; N99-R101 PolarHBondContact OD1-N 2.98Å; R101-H169 PolarHBondContact O-NE2 3.04Å; R101-C241 PolarHBondContact NH2-SG 3.22Å; R101-D243 IonicContact CZ-OD1 3.84Å; R101-D243 IonicContact CZ-OD2 3.71Å; R101-D243 IonicContact NH1-OD1 2.68Å; R101-D243 IonicContact NH1-OD2 3.68Å; R101-D243 PolarHBondContact NH1-OD2 3.24Å; R101-D243 VanDerWaalsContact NH2-CG 3.28Å; R101-D243 IonicContact NH2-OD1 3.15Å; R101-D243 PolarHBondContact NH2-OD1 3.02Å; R101-D243 IonicContact NH2-OD2 2.82Å; R101-D243 PolarHBondContact NH2-OD2 3.34Å; R101-S251 PolarHBondContact NH1-O 3.12Å; R101-L253 WeakPolarHBondContact CD-O 3.42Å
102	P	93.7	Very high	94.3	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.039	14%	0.144	C	C	.	.			trans	-79.6	-22.6	-173.2	27.2	-33.4	0	0	0	114.3	M152 G168 L208	P102-M152 HydrophobicContact CB-CG 4.47Å; P102-M152 HydrophobicContact CB-SD 4.43Å; P102-M152 HydrophobicContact CG-CE 3.59Å; P102-M152 HydrophobicContact CG-CG 4.17Å; P102-M152 HydrophobicContact CG-SD 4.04Å; P102-G168 WeakPolarHBondContact O-CA 3.37Å; P102-L208 HydrophobicContact CB-CB 3.89Å
103	L	93.5	Very high	94.3	Very high	14 Å²	14	35.4 Å²	35.4	7%	0.073	18%	0.179	C	C	.	.	S	Bend	trans	-98.9	130.9	-176	-60.7	-168.4	0	0	0	112.3	A107 P119 L167 H169 L208 D243	L103-A107 HydrophobicContact CB-CB 3.9Å; L103-A107 HydrophobicContact CD1-CB 4.34Å; L103-A107 HydrophobicContact CD2-CB 4.33Å; L103-A107 HydrophobicContact CG-CB 4.43Å; L103-P119 HydrophobicContact CD1-CG 3.95Å; L103-L167 HydrophobicContact CD2-CB 4.03Å; L103-H169 PolarHBondContact O-CE1 3.23Å; L103-H169 PolarHBondContact O-NE2 2.56Å; L103-L208 HydrophobicContact CD2-CD2 4.34Å; L103-D243 HydrophobicContact CD1-CB 3.78Å; L103-D243 HydrophobicContact CG-CB 4.07Å
104	S	92.5	Very high	94.2	Very high	15 Å²	15	40.2 Å²	40.2	11%	0.105	20%	0.197	C	C	.	.			trans	-69.8	160.7	169.3	64.6	0	0	0	0	112.9	E106 A107 L167	S104-E106 PolarHBondContact O-N 3.44Å; S104-E106 VanDerWaalsContact O-N 3.16Å; S104-A107 WeakPolarHBondContact O-CB 3.06Å; S104-A107 PolarHBondContact O-N 3.35Å; S104-A107 PolarHBondContact OG-N 3.18Å; S104-L167 WeakPolarHBondContact CB-O 3.29Å; S104-L167 PolarHBondContact N-O 3.38Å; S104-L167 PolarHBondContact OG-O 3.42Å
105	S	87.6	Confident	94.1	Very high	45 Å²	45	47.7 Å²	47.7	32%	0.315	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.5	173.4	55.6	0	0	0	0	113.5	D233 R478	S105-D233 WeakPolarHBondContact CB-OD1 3.28Å; S105-D233 WeakPolarHBondContact CB-OD2 3.45Å; S105-D233 PolarHBondContact N-OD2 3.15Å; S105-D233 PolarHBondContact OG-OD1 3.49Å; S105-D233 PolarHBondContact OG-OD2 2.99Å; S105-R478 PolarHBondContact OG-NH2 3.05Å
106	E	88.5	Confident	94	Very high	103 Å²	103	48.1 Å²	48.1	48%	0.481	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.7	176.7	-65	177.4	-148.9	0	0	113.4	S104 N108 I109 I110	S104-E106 PolarHBondContact O-N 3.44Å; S104-E106 VanDerWaalsContact O-N 3.16Å; E106-N108 VanDerWaalsContact C-N 3.33Å; E106-N108 PolarHBondContact O-N 2.92Å; E106-I109 WeakPolarHBondContact O-CB 3.45Å; E106-I109 PolarHBondContact O-N 2.74Å; E106-I110 HydrophobicContact CB-CD1 4.48Å; E106-I110 PolarHBondContact O-N 2.97Å
107	A	92.6	Very high	93.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-41.6	-171.7	0	0	0	0	0	113.3	L103 S104 I109 I110 L111 L167	L103-A107 HydrophobicContact CB-CB 3.9Å; L103-A107 HydrophobicContact CD1-CB 4.34Å; L103-A107 HydrophobicContact CD2-CB 4.33Å; L103-A107 HydrophobicContact CG-CB 4.43Å; S104-A107 WeakPolarHBondContact O-CB 3.06Å; S104-A107 PolarHBondContact O-N 3.35Å; S104-A107 PolarHBondContact OG-N 3.18Å; A107-I109 VanDerWaalsContact C-N 3.29Å; A107-I109 PolarHBondContact O-N 3.12Å; A107-I110 WeakPolarHBondContact O-CB 3.14Å; A107-I110 PolarHBondContact O-N 2.94Å; A107-I110 VanDerWaalsContact O-N 3.12Å; A107-L111 WeakPolarHBondContact O-CG 3.49Å; A107-L111 PolarHBondContact O-N 2.95Å; A107-L167 HydrophobicContact CB-CB 4.3Å; A107-L167 HydrophobicContact CB-CD2 4.14Å
108	N	89.7	Confident	93.6	Very high	53 Å²	53	49.8 Å²	49.8	28%	0.283	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-32	179	-73.5	-42.8	0	0	0	112.7	E106 N112	E106-N108 VanDerWaalsContact C-N 3.33Å; E106-N108 PolarHBondContact O-N 2.92Å; N108-N112 WeakPolarHBondContact O-CB 3.23Å; N108-N112 VanDerWaalsContact O-CG 3.23Å; N108-N112 PolarHBondContact O-N 3.48Å; N108-N112 VanDerWaalsContact O-N 3.1Å; N108-N112 PolarHBondContact O-ND2 2.98Å
109	I	92	Very high	93.4	Very high	123 Å²	123	49.7 Å²	49.7	63%	0.631	24%	0.242	S	C	*	.	H	α-helix	trans	-68.5	-40.9	174.5	-54.8	174.5	0	0	0	109.6	E106 A107 K113	E106-I109 WeakPolarHBondContact O-CB 3.45Å; E106-I109 PolarHBondContact O-N 2.74Å; A107-I109 VanDerWaalsContact C-N 3.29Å; A107-I109 PolarHBondContact O-N 3.12Å; I109-K113 VanDerWaalsContact O-CB 3.31Å; I109-K113 WeakPolarHBondContact O-CB 3.37Å; I109-K113 PolarHBondContact O-N 2.92Å
110	I	94.9	Very high	93.1	Very high	29 Å²	29	54 Å²	54	15%	0.149	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-46.6	178.5	-62	169	0	0	0	110.8	E106 A107 K113 Y114 V163 K166 L167	E106-I110 HydrophobicContact CB-CD1 4.48Å; E106-I110 PolarHBondContact O-N 2.97Å; A107-I110 WeakPolarHBondContact O-CB 3.14Å; A107-I110 PolarHBondContact O-N 2.94Å; A107-I110 VanDerWaalsContact O-N 3.12Å; I110-K113 WeakPolarHBondContact O-CB 3.28Å; I110-K113 PolarHBondContact O-N 3.41Å; I110-Y114 HydrophobicContact CG2-CD2 3.9Å; I110-Y114 HydrophobicContact CG2-CE2 3.94Å; I110-Y114 VanDerWaalsContact O-CD2 3.27Å; I110-Y114 WeakPolarHBondContact O-CD2 3.25Å; I110-Y114 PolarHBondContact O-N 3.32Å; I110-Y114 VanDerWaalsContact O-N 3.11Å; I110-V163 HydrophobicContact CG2-CG1 4Å; I110-K166 HydrophobicContact CD1-CB 4.25Å; I110-K166 WeakPolarHBondContact CD1-O 3.4Å; I110-L167 HydrophobicContact CB-CD2 3.84Å; I110-L167 HydrophobicContact CG2-CD2 3.62Å
111	L	94.9	Very high	93	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-48.5	177.8	-68.6	174.9	0	0	0	111.6	A107 K113 Y114 K115 L116 Y155 L167	A107-L111 WeakPolarHBondContact O-CG 3.49Å; A107-L111 PolarHBondContact O-N 2.95Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.39Å; L111-Y114 CarbonylContact O-C 3.56Å; L111-Y114 PolarHBondContact O-N 2.92Å; L111-Y114 VanDerWaalsContact O-N 3.17Å; L111-K115 PolarHBondContact O-N 3.47Å; L111-L116 HydrophobicContact CD2-CB 3.85Å; L111-L116 HydrophobicContact CD2-CD1 4.45Å; L111-L116 PolarHBondContact O-N 3.31Å; L111-Y155 WeakPolarHBondContact CD2-OH 3.34Å; L111-L167 HydrophobicContact CD2-CD1 3.85Å; L111-L167 HydrophobicContact CD2-CD2 3.81Å; L111-L167 HydrophobicContact CG-CD2 3.84Å
112	N	93.8	Very high	93	Very high	115 Å²	115	55.7 Å²	55.7	62%	0.615	27%	0.267	S	S	*	.	H	α-helix	trans	-58.9	-41.6	175.1	-73.5	-21	0	0	0	112.2	N108 Y114 K115	N108-N112 WeakPolarHBondContact O-CB 3.23Å; N108-N112 VanDerWaalsContact O-CG 3.23Å; N108-N112 PolarHBondContact O-N 3.48Å; N108-N112 VanDerWaalsContact O-N 3.1Å; N108-N112 PolarHBondContact O-ND2 2.98Å; N112-Y114 VanDerWaalsContact C-N 3.3Å; N112-Y114 PolarHBondContact O-N 3.47Å; N112-K115 PolarHBondContact O-N 2.93Å; N112-K115 VanDerWaalsContact O-N 3.13Å
113	K	95.9	Very high	93	Very high	169 Å²	169	55.9 Å²	55.9	74%	0.735	27%	0.269	S	S	*	.	H	α-helix	trans	-61	-34.9	177.3	178.3	174.6	178.8	173.7	0	113.2	I109 I110 L111	I109-K113 VanDerWaalsContact O-CB 3.31Å; I109-K113 WeakPolarHBondContact O-CB 3.37Å; I109-K113 PolarHBondContact O-N 2.92Å; I110-K113 WeakPolarHBondContact O-CB 3.28Å; I110-K113 PolarHBondContact O-N 3.41Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.39Å
114	Y	95.6	Very high	92.9	Very high	104 Å²	104	58.6 Å²	58.6	41%	0.408	28%	0.283	S	S	.	.	H	α-helix	trans	-94.3	2.7	176.8	-70.3	-73.1	0	0	0	113.8	I110 L111 N112 L116 V163	I110-Y114 HydrophobicContact CG2-CD2 3.9Å; I110-Y114 HydrophobicContact CG2-CE2 3.94Å; I110-Y114 VanDerWaalsContact O-CD2 3.27Å; I110-Y114 WeakPolarHBondContact O-CD2 3.25Å; I110-Y114 PolarHBondContact O-N 3.32Å; I110-Y114 VanDerWaalsContact O-N 3.11Å; L111-Y114 CarbonylContact O-C 3.56Å; L111-Y114 PolarHBondContact O-N 2.92Å; L111-Y114 VanDerWaalsContact O-N 3.17Å; N112-Y114 VanDerWaalsContact C-N 3.3Å; N112-Y114 PolarHBondContact O-N 3.47Å; Y114-L116 VanDerWaalsContact C-N 3.3Å; Y114-L116 HydrophobicContact CG-CD1 4.46Å; Y114-L116 PolarHBondContact O-N 3.46Å; Y114-V163 HydrophobicContact CD1-CG2 4.3Å; Y114-V163 HydrophobicContact CD2-CG1 4.18Å; Y114-V163 HydrophobicContact CD2-CG2 3.81Å; Y114-V163 HydrophobicContact CE1-CG2 4.36Å; Y114-V163 HydrophobicContact CE2-CG1 4.5Å; Y114-V163 HydrophobicContact CE2-CG2 3.88Å; Y114-V163 HydrophobicContact CG-CG2 4.05Å
115	K	96	Very high	92.8	Very high	159 Å²	159	58.5 Å²	58.5	69%	0.691	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	40.8	-173.4	-56.7	-176.6	179.3	-177.7	0	113.5	L111 N112 I363	L111-K115 PolarHBondContact O-N 3.47Å; N112-K115 PolarHBondContact O-N 2.93Å; N112-K115 VanDerWaalsContact O-N 3.13Å; K115-I363 WeakPolarHBondContact O-CG1 3.17Å; K115-I363 PolarHBondContact O-N 2.9Å
116	L	96.4	Very high	93.1	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.058	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-103.1	142	-179.6	-61.6	170.5	0	0	0	110.8	L111 Y114 L159 V163 V361	L111-L116 HydrophobicContact CD2-CB 3.85Å; L111-L116 HydrophobicContact CD2-CD1 4.45Å; L111-L116 PolarHBondContact O-N 3.31Å; Y114-L116 VanDerWaalsContact C-N 3.3Å; Y114-L116 HydrophobicContact CG-CD1 4.46Å; Y114-L116 PolarHBondContact O-N 3.46Å; L116-L159 HydrophobicContact CD1-CD2 3.82Å; L116-V163 HydrophobicContact CD1-CG1 4.21Å; L116-V163 HydrophobicContact CD1-CG2 4.39Å; L116-V361 CarbonylContact C-O 3.38Å; L116-V361 VanDerWaalsContact CA-O 3.31Å; L116-V361 WeakPolarHBondContact CA-O 3.42Å; L116-V361 HydrophobicContact CD2-CB 4.4Å; L116-V361 HydrophobicContact CD2-CG2 4.13Å
117	K	94.9	Very high	93.3	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.03	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-67.1	157.9	176.8	-63.5	-176.6	-171.4	-178.6	0	111.1	Q121 D125 Y155 F360 V361 K362 I363 N365 D367	K117-Q121 HydrophobicContact CB-CB 4.24Å; K117-Q121 HydrophobicContact CB-CG 4.35Å; K117-Q121 HydrophobicContact CD-CG 4.14Å; K117-Q121 HydrophobicContact CG-CG 4.34Å; K117-D125 WeakPolarHBondContact CD-OD2 3.32Å; K117-D125 WeakPolarHBondContact CE-OD2 3.39Å; K117-D125 IonicContact NZ-OD2 3.01Å; K117-D125 PolarHBondContact NZ-OD2 3.37Å; K117-Y155 PolarHBondContact O-OH 3.28Å; K117-F360 VanDerWaalsContact CD-O 3.23Å; K117-F360 WeakPolarHBondContact CD-O 3.2Å; K117-F360 VanDerWaalsContact CE-O 3.22Å; K117-F360 WeakPolarHBondContact CE-O 3.44Å; K117-F360 PolarHBondContact NZ-O 2.78Å; K117-F360 VanDerWaalsContact NZ-O 3.16Å; K117-V361 PolarHBondContact N-O 3.31Å; K117-K362 WeakPolarHBondContact CE-O 3.25Å; K117-I363 HydrophobicContact CG-CG1 3.92Å; K117-N365 PolarHBondContact NZ-O 2.85Å; K117-D367 VanDerWaalsContact CE-OD1 3.32Å; K117-D367 WeakPolarHBondContact CE-OD1 3.41Å; K117-D367 IonicContact NZ-OD1 3.2Å; K117-D367 PolarHBondContact NZ-OD1 3.12Å
118	S	93	Very high	93.2	Very high	32 Å²	32	55.9 Å²	55.9	22%	0.224	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73	157.4	165.3	64.6	0	0	0	0	111	R120 Q121 F122	S118-R120 PolarHBondContact O-N 2.96Å; S118-Q121 PolarHBondContact O-N 3.06Å; S118-Q121 WeakPolarHBondContact OG-CB 3.25Å; S118-Q121 PolarHBondContact OG-N 3.06Å; S118-F122 PolarHBondContact O-N 3.33Å
119	P	93.1	Very high	93.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.4	-39.2	177.3	-14.2	16.4	0	0	0	113	L103 A123 M152 Y155 S242 D243 F245	L103-P119 HydrophobicContact CD1-CG 3.95Å; P119-A123 VanDerWaalsContact O-CB 3.29Å; P119-A123 WeakPolarHBondContact O-CB 3.3Å; P119-A123 PolarHBondContact O-N 2.89Å; P119-M152 HydrophobicContact CB-CE 3.8Å; P119-M152 HydrophobicContact CG-CE 3.67Å; P119-Y155 HydrophobicContact CB-CD1 3.8Å; P119-Y155 HydrophobicContact CB-CD2 4.18Å; P119-Y155 HydrophobicContact CB-CE1 4.02Å; P119-Y155 HydrophobicContact CB-CE2 4.37Å; P119-Y155 HydrophobicContact CB-CG 3.88Å; P119-Y155 HydrophobicContact CG-CD1 3.74Å; P119-Y155 HydrophobicContact CG-CE1 3.48Å; P119-Y155 VanDerWaalsContact CG-CE1 3.48Å; P119-Y155 HydrophobicContact CG-CE2 4.36Å; P119-Y155 HydrophobicContact CG-CG 4.28Å; P119-S242 VanDerWaalsContact CD-O 3.32Å; P119-S242 WeakPolarHBondContact CD-O 3.35Å; P119-D243 HydrophobicContact CB-CB 4.45Å; P119-D243 HydrophobicContact CG-CB 3.85Å; P119-F245 HydrophobicContact CB-CE2 4.28Å; P119-F245 HydrophobicContact CB-CZ 3.75Å
120	R	90.6	Very high	93.5	Very high	101 Å²	101	47.8 Å²	47.8	38%	0.381	23%	0.225	S	C	.	.	H	α-helix	trans	-65.9	-38.9	176	-177.7	175.5	-179.5	91.3	-2.5	112.9	S118 A123 I124 C241 S242 C244	S118-R120 PolarHBondContact O-N 2.96Å; R120-A123 PolarHBondContact O-N 3.21Å; R120-I124 HydrophobicContact CG-CD1 4.2Å; R120-I124 WeakPolarHBondContact O-CD1 3.44Å; R120-I124 VanDerWaalsContact O-CG1 3.32Å; R120-I124 WeakPolarHBondContact O-CG1 3.27Å; R120-I124 PolarHBondContact O-N 3.33Å; R120-I124 VanDerWaalsContact O-N 3.11Å; R120-C241 WeakPolarHBondContact CD-O 3.35Å; R120-S242 WeakPolarHBondContact CB-O 3.26Å; R120-S242 PolarHBondContact N-O 3.28Å; R120-C244 PolarHBondContact NH1-O 3.31Å
121	Q	91.5	Very high	93.4	Very high	82 Å²	82	47 Å²	47	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-70.3	-46.6	177.8	-174.5	60	46.4	0	0	110.7	K117 S118 A123 I124 D125	K117-Q121 HydrophobicContact CB-CB 4.24Å; K117-Q121 HydrophobicContact CB-CG 4.35Å; K117-Q121 HydrophobicContact CD-CG 4.14Å; K117-Q121 HydrophobicContact CG-CG 4.34Å; S118-Q121 PolarHBondContact O-N 3.06Å; S118-Q121 WeakPolarHBondContact OG-CB 3.25Å; S118-Q121 PolarHBondContact OG-N 3.06Å; Q121-A123 VanDerWaalsContact C-N 3.27Å; Q121-A123 PolarHBondContact O-N 3.42Å; Q121-I124 PolarHBondContact O-N 2.83Å; Q121-I124 VanDerWaalsContact O-N 3.09Å; Q121-D125 WeakPolarHBondContact CG-OD2 3.35Å; Q121-D125 VanDerWaalsContact NE2-CG 3.26Å; Q121-D125 PolarHBondContact NE2-OD1 3.16Å; Q121-D125 PolarHBondContact NE2-OD2 2.89Å; Q121-D125 VanDerWaalsContact O-CG 3.29Å; Q121-D125 PolarHBondContact O-N 3.37Å; Q121-D125 VanDerWaalsContact O-OD2 3.12Å
122	F	93.5	Very high	93.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-51.6	-44.9	170.4	166	-93.9	0	0	0	112.1	S118 I124 D125 L126 Y155 M357 F360 V361	S118-F122 PolarHBondContact O-N 3.33Å; F122-I124 PolarHBondContact O-N 3.47Å; F122-D125 PolarHBondContact O-N 3.24Å; F122-L126 HydrophobicContact CE1-CD2 4.06Å; F122-L126 HydrophobicContact CE2-CD2 4.5Å; F122-L126 HydrophobicContact CZ-CD2 3.87Å; F122-L126 WeakPolarHBondContact O-CB 3.37Å; F122-L126 PolarHBondContact O-N 3.25Å; F122-Y155 HydrophobicContact CB-CD2 3.84Å; F122-Y155 HydrophobicContact CB-CE2 4.25Å; F122-Y155 AromaticContact CD1-CD2 3.81Å; F122-Y155 HydrophobicContact CD1-CD2 3.81Å; F122-Y155 HydrophobicContact CD1-CG 4.3Å; F122-Y155 HydrophobicContact CD2-CD2 4.32Å; F122-Y155 HydrophobicContact CE1-CD2 4.42Å; F122-Y155 AromaticContact CG-CD2 3.75Å; F122-Y155 HydrophobicContact CG-CD2 3.75Å; F122-M357 HydrophobicContact CZ-CE 4.02Å; F122-F360 HydrophobicContact CD2-CB 3.91Å; F122-F360 HydrophobicContact CE2-CB 3.73Å; F122-V361 HydrophobicContact CD2-CG1 3.64Å; F122-V361 HydrophobicContact CE2-CG1 3.82Å; F122-V361 HydrophobicContact CG-CG1 4.49Å
123	A	92.5	Very high	93.1	Very high	9 Å²	9	45.6 Å²	45.6	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-39.8	177.2	0	0	0	0	0	113.5	P119 R120 Q121 N127 V150 F245	P119-A123 VanDerWaalsContact O-CB 3.29Å; P119-A123 WeakPolarHBondContact O-CB 3.3Å; P119-A123 PolarHBondContact O-N 2.89Å; R120-A123 PolarHBondContact O-N 3.21Å; Q121-A123 VanDerWaalsContact C-N 3.27Å; Q121-A123 PolarHBondContact O-N 3.42Å; A123-N127 WeakPolarHBondContact O-CB 3.28Å; A123-N127 PolarHBondContact O-N 3.01Å; A123-N127 PolarHBondContact O-ND2 3.35Å; A123-V150 HydrophobicContact CB-CG1 3.5Å; A123-V150 VanDerWaalsContact CB-CG1 3.5Å; A123-F245 HydrophobicContact CB-CD1 3.82Å; A123-F245 HydrophobicContact CB-CE1 3.83Å
124	I	90.6	Very high	92.9	Very high	72 Å²	72	38.3 Å²	38.3	37%	0.369	18%	0.182	S	C	.	.	H	α-helix	trans	-68	-49.2	177.5	-70.1	163.2	0	0	0	110	R120 Q121 F122 N127 N128	R120-I124 HydrophobicContact CG-CD1 4.2Å; R120-I124 WeakPolarHBondContact O-CD1 3.44Å; R120-I124 VanDerWaalsContact O-CG1 3.32Å; R120-I124 WeakPolarHBondContact O-CG1 3.27Å; R120-I124 PolarHBondContact O-N 3.33Å; R120-I124 VanDerWaalsContact O-N 3.11Å; Q121-I124 PolarHBondContact O-N 2.83Å; Q121-I124 VanDerWaalsContact O-N 3.09Å; F122-I124 PolarHBondContact O-N 3.47Å; I124-N127 PolarHBondContact O-N 3Å; I124-N128 WeakPolarHBondContact O-CB 3.44Å; I124-N128 VanDerWaalsContact O-CG 3.27Å; I124-N128 PolarHBondContact O-N 3.03Å; I124-N128 PolarHBondContact O-ND2 3Å
125	D	92	Very high	92.8	Very high	12 Å²	12	39 Å²	39	6%	0.064	19%	0.185	C	C	.	.	H	α-helix	trans	-67.8	-40.3	-175.5	-58.4	-33.7	0	0	0	112	K117 Q121 F122 N128 F129	K117-D125 WeakPolarHBondContact CD-OD2 3.32Å; K117-D125 WeakPolarHBondContact CE-OD2 3.39Å; K117-D125 IonicContact NZ-OD2 3.01Å; K117-D125 PolarHBondContact NZ-OD2 3.37Å; Q121-D125 WeakPolarHBondContact CG-OD2 3.35Å; Q121-D125 VanDerWaalsContact NE2-CG 3.26Å; Q121-D125 PolarHBondContact NE2-OD1 3.16Å; Q121-D125 PolarHBondContact NE2-OD2 2.89Å; Q121-D125 VanDerWaalsContact O-CG 3.29Å; Q121-D125 PolarHBondContact O-N 3.37Å; Q121-D125 VanDerWaalsContact O-OD2 3.12Å; F122-D125 PolarHBondContact O-N 3.24Å; D125-N128 PolarHBondContact O-N 2.89Å; D125-F129 WeakPolarHBondContact O-CB 3.32Å; D125-F129 PolarHBondContact O-N 3.49Å
126	L	92.7	Very high	92.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-43	175.7	178.9	56.8	0	0	0	112	F122 F129 A130 V146 A149 V150 M357 F360 L414	F122-L126 HydrophobicContact CE1-CD2 4.06Å; F122-L126 HydrophobicContact CE2-CD2 4.5Å; F122-L126 HydrophobicContact CZ-CD2 3.87Å; F122-L126 WeakPolarHBondContact O-CB 3.37Å; F122-L126 PolarHBondContact O-N 3.25Å; L126-F129 PolarHBondContact O-N 2.99Å; L126-A130 VanDerWaalsContact O-CB 3.26Å; L126-A130 WeakPolarHBondContact O-CB 3.33Å; L126-A130 PolarHBondContact O-N 2.91Å; L126-V146 HydrophobicContact CD1-CG1 4.36Å; L126-A149 HydrophobicContact CD2-CB 4.43Å; L126-V150 HydrophobicContact CB-CG2 4.42Å; L126-V150 HydrophobicContact CD2-CG2 3.77Å; L126-V150 HydrophobicContact CG-CG2 4Å; L126-M357 HydrophobicContact CD1-SD 3.74Å; L126-M357 HydrophobicContact CD2-CE 3.72Å; L126-M357 HydrophobicContact CD2-SD 3.98Å; L126-F360 HydrophobicContact CB-CD1 4.17Å; L126-F360 HydrophobicContact CB-CE1 4.48Å; L126-F360 HydrophobicContact CD1-CD1 3.96Å; L126-F360 HydrophobicContact CD1-CE1 3.8Å; L126-F360 HydrophobicContact CD1-CG 4.47Å; L126-F360 HydrophobicContact CD1-CZ 4.15Å; L126-L414 HydrophobicContact CD1-CD1 3.52Å
127	N	92.2	Very high	92.3	Very high	44 Å²	44	43.2 Å²	43.2	24%	0.235	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-47.5	174	-84.4	-56.6	0	0	0	111.6	A123 I124 F129 A130 A131 T147	A123-N127 WeakPolarHBondContact O-CB 3.28Å; A123-N127 PolarHBondContact O-N 3.01Å; A123-N127 PolarHBondContact O-ND2 3.35Å; I124-N127 PolarHBondContact O-N 3Å; N127-F129 VanDerWaalsContact C-N 3.34Å; N127-F129 PolarHBondContact O-N 3.45Å; N127-A130 PolarHBondContact O-N 3.25Å; N127-A131 VanDerWaalsContact O-CB 3.25Å; N127-A131 WeakPolarHBondContact O-CB 3.46Å; N127-A131 PolarHBondContact O-N 3.01Å; N127-T147 VanDerWaalsContact OD1-CG2 3.29Å; N127-T147 WeakPolarHBondContact OD1-CG2 3.41Å
128	N	92.1	Very high	92.1	Very high	50 Å²	50	49.1 Å²	49.1	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-43.5	179.1	-73	-15.7	0	0	0	111.5	I124 D125 A131 K132	I124-N128 WeakPolarHBondContact O-CB 3.44Å; I124-N128 VanDerWaalsContact O-CG 3.27Å; I124-N128 PolarHBondContact O-N 3.03Å; I124-N128 PolarHBondContact O-ND2 3Å; D125-N128 PolarHBondContact O-N 2.89Å; N128-A131 PolarHBondContact O-N 2.93Å; N128-K132 PolarHBondContact O-N 3.43Å
129	F	93.5	Very high	92.1	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.022	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-46.8	177.8	-162.1	-75.8	0	0	0	112.2	D125 L126 N127 A131 K132 A133 F360 C366 I368 F406 C410 L411 L414	D125-F129 WeakPolarHBondContact O-CB 3.32Å; D125-F129 PolarHBondContact O-N 3.49Å; L126-F129 PolarHBondContact O-N 2.99Å; N127-F129 VanDerWaalsContact C-N 3.34Å; N127-F129 PolarHBondContact O-N 3.45Å; F129-A131 VanDerWaalsContact C-N 3.29Å; F129-A131 PolarHBondContact O-N 2.66Å; F129-K132 PolarHBondContact O-N 2.66Å; F129-A133 VanDerWaalsContact O-CB 3.3Å; F129-A133 WeakPolarHBondContact O-CB 3.34Å; F129-A133 PolarHBondContact O-N 3.42Å; F129-F360 HydrophobicContact CB-CE1 3.7Å; F129-F360 HydrophobicContact CB-CZ 4.13Å; F129-F360 HydrophobicContact CD1-CE1 4.21Å; F129-F360 AromaticContact CD1-CZ 3.74Å; F129-F360 HydrophobicContact CD1-CZ 3.74Å; F129-F360 HydrophobicContact CD2-CE1 4.19Å; F129-F360 HydrophobicContact CD2-CZ 4.18Å; F129-F360 HydrophobicContact CE1-CZ 4.13Å; F129-F360 AromaticContact CG-CE1 3.79Å; F129-F360 HydrophobicContact CG-CE1 3.79Å; F129-F360 AromaticContact CG-CZ 3.76Å; F129-F360 HydrophobicContact CG-CZ 3.76Å; F129-C366 HydrophobicContact CD2-CB 4.32Å; F129-C366 WeakPolarHBondContact CD2-O 3.07Å; F129-C366 HydrophobicContact CE2-CB 4.48Å; F129-I368 HydrophobicContact CB-CD1 4.31Å; F129-I368 HydrophobicContact CD2-CD1 4.3Å; F129-I368 HydrophobicContact CD2-CG1 4.16Å; F129-I368 HydrophobicContact CG-CD1 4.47Å; F129-F406 AromaticContact CE1-CD1 3.95Å; F129-F406 HydrophobicContact CE1-CD1 3.95Å; F129-F406 HydrophobicContact CE2-CD1 4.12Å; F129-F406 HydrophobicContact CZ-CB 4.2Å; F129-F406 AromaticContact CZ-CD1 3.7Å; F129-F406 HydrophobicContact CZ-CD1 3.7Å; F129-F406 HydrophobicContact CZ-CG 4.43Å; F129-C410 HydrophobicContact CE1-CB 4.24Å; F129-C410 HydrophobicContact CE2-CB 3.73Å; F129-C410 HydrophobicContact CZ-CB 3.51Å; F129-L411 HydrophobicContact CE1-CB 4.4Å; F129-L411 HydrophobicContact CE1-CD1 4.3Å; F129-L411 HydrophobicContact CZ-CB 4.42Å; F129-L414 HydrophobicContact CD1-CD2 3.79Å; F129-L414 HydrophobicContact CE1-CD2 4.01Å
130	A	93.2	Very high	92.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-35.8	175.7	0	0	0	0	0	112.2	L126 N127 A133 Y134 Y143 V146 T147	L126-A130 VanDerWaalsContact O-CB 3.26Å; L126-A130 WeakPolarHBondContact O-CB 3.33Å; L126-A130 PolarHBondContact O-N 2.91Å; N127-A130 PolarHBondContact O-N 3.25Å; A130-A133 PolarHBondContact O-N 3.37Å; A130-Y134 PolarHBondContact O-N 3.48Å; A130-Y143 HydrophobicContact CB-CD2 3.96Å; A130-Y143 HydrophobicContact CB-CE2 4.13Å; A130-V146 HydrophobicContact CB-CG1 3.91Å; A130-T147 HydrophobicContact CB-CG2 4.17Å
131	A	92.8	Very high	92.1	Very high	13 Å²	13	53.9 Å²	53.9	11%	0.107	27%	0.267	C	S	.	.	I	π-helix	trans	-65.8	-44.2	176.1	0	0	0	0	0	111.9	N127 N128 F129 Y135 Y136 Y143	N127-A131 VanDerWaalsContact O-CB 3.25Å; N127-A131 WeakPolarHBondContact O-CB 3.46Å; N127-A131 PolarHBondContact O-N 3.01Å; N128-A131 PolarHBondContact O-N 2.93Å; F129-A131 VanDerWaalsContact C-N 3.29Å; F129-A131 PolarHBondContact O-N 2.66Å; A131-Y135 WeakPolarHBondContact O-CB 3.43Å; A131-Y135 PolarHBondContact O-N 2.95Å; A131-Y135 VanDerWaalsContact O-N 3.09Å; A131-Y136 PolarHBondContact O-N 3.19Å; A131-Y136 VanDerWaalsContact O-N 3.07Å; A131-Y143 HydrophobicContact CB-CE2 3.96Å
132	K	91.4	Very high	92.1	Very high	70 Å²	70	50.3 Å²	50.3	30%	0.304	25%	0.251	S	S	.	.	I	π-helix	trans	-65.9	-38	173.7	-167.5	-166.3	162.2	-167.6	0	112.1	N128 F129 I368 M404 F406	N128-K132 PolarHBondContact O-N 3.43Å; F129-K132 PolarHBondContact O-N 2.66Å; K132-I368 HydrophobicContact CB-CD1 3.51Å; K132-I368 HydrophobicContact CD-CD1 3.56Å; K132-I368 HydrophobicContact CG-CD1 4.12Å; K132-M404 PolarHBondContact NZ-O 2.91Å; K132-F406 HydrophobicContact CB-CE1 3.95Å; K132-F406 HydrophobicContact CB-CZ 4.2Å; K132-F406 HydrophobicContact CD-CD1 4.36Å; K132-F406 HydrophobicContact CD-CE1 3.58Å; K132-F406 HydrophobicContact CD-CZ 3.72Å; K132-F406 HydrophobicContact CG-CE1 3.75Å; K132-F406 HydrophobicContact CG-CZ 3.64Å
133	A	91	Very high	92.1	Very high	17 Å²	17	52.9 Å²	52.9	14%	0.14	26%	0.261	C	S	.	.	I	π-helix	trans	-74.6	-37.7	-176.4	0	0	0	0	0	114.2	F129 A130 S137 F406 L411 L414	F129-A133 VanDerWaalsContact O-CB 3.3Å; F129-A133 WeakPolarHBondContact O-CB 3.34Å; F129-A133 PolarHBondContact O-N 3.42Å; A130-A133 PolarHBondContact O-N 3.37Å; A133-S137 PolarHBondContact O-OG 2.91Å; A133-F406 HydrophobicContact CB-CE1 4.06Å; A133-F406 HydrophobicContact CB-CZ 4.35Å; A133-L411 HydrophobicContact CB-CD1 4.22Å; A133-L414 HydrophobicContact CB-CD2 4.01Å
134	Y	93.2	Very high	92	Very high	17 Å²	17	56.5 Å²	56.5	7%	0.067	28%	0.276	C	S	.	.	I	π-helix	trans	-128.2	-41.4	-170.3	-57.3	-61.8	0	0	0	114.5	A130 S137 N138 D139 S142 V146 L414 E415	A130-Y134 PolarHBondContact O-N 3.48Å; Y134-S137 WeakPolarHBondContact CA-OG 3.5Å; Y134-S137 CarbonylContact O-C 3.59Å; Y134-S137 PolarHBondContact O-N 2.91Å; Y134-S137 PolarHBondContact O-OG 3.24Å; Y134-N138 PolarHBondContact O-N 3.05Å; Y134-D139 WeakPolarHBondContact CB-O 3.39Å; Y134-D139 CarbonylContact O-C 3.58Å; Y134-D139 WeakPolarHBondContact O-CA 3.32Å; Y134-D139 PolarHBondContact O-N 3.37Å; Y134-S142 VanDerWaalsContact CD1-CB 3.46Å; Y134-V146 HydrophobicContact CE2-CB 4.46Å; Y134-V146 HydrophobicContact CE2-CG2 3.91Å; Y134-L414 HydrophobicContact CD2-CD2 4.27Å; Y134-L414 HydrophobicContact CE2-CD2 3.45Å; Y134-L414 VanDerWaalsContact CE2-CD2 3.45Å; Y134-L414 HydrophobicContact CE2-CG 4.04Å; Y134-E415 PolarHBondContact OH-OE2 3.34Å
135	Y	92.3	Very high	91.9	Very high	117 Å²	117	54.7 Å²	54.7	46%	0.459	27%	0.266	S	S	.	.	I	π-helix	trans	-69.2	-47.7	-172.9	-176.4	-97.1	0	0	0	112.1	A131 S137 N138 Y143	A131-Y135 WeakPolarHBondContact O-CB 3.43Å; A131-Y135 PolarHBondContact O-N 2.95Å; A131-Y135 VanDerWaalsContact O-N 3.09Å; Y135-S137 PolarHBondContact O-N 3.44Å; Y135-N138 WeakPolarHBondContact O-CA 3.39Å; Y135-N138 PolarHBondContact O-N 2.99Å; Y135-Y143 HydrophobicContact CD2-CD1 4.25Å; Y135-Y143 HydrophobicContact CD2-CE1 4.45Å; Y135-Y143 HydrophobicContact CD2-CG 4.47Å
136	Y	91.3	Very high	91.9	Very high	182 Å²	182	54.1 Å²	54.1	71%	0.714	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.1	177.7	-59.4	-41.9	0	0	0	114	A131 N138	A131-Y136 PolarHBondContact O-N 3.19Å; A131-Y136 VanDerWaalsContact O-N 3.07Å; Y136-N138 VanDerWaalsContact C-N 3.31Å
137	S	90.4	Very high	91.7	Very high	78 Å²	78	55.5 Å²	55.5	55%	0.545	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	10	167.9	55.8	0	0	0	0	113.3	A133 Y134 Y135 D139	A133-S137 PolarHBondContact O-OG 2.91Å; Y134-S137 WeakPolarHBondContact CA-OG 3.5Å; Y134-S137 CarbonylContact O-C 3.59Å; Y134-S137 PolarHBondContact O-N 2.91Å; Y134-S137 PolarHBondContact O-OG 3.24Å; Y135-S137 PolarHBondContact O-N 3.44Å; S137-D139 VanDerWaalsContact C-N 3.26Å; S137-D139 PolarHBondContact O-N 2.9Å
138	N	91.7	Very high	91.4	Very high	131 Å²	131	56.6 Å²	56.6	70%	0.701	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	17.5	178.6	-161.7	58	0	0	0	115.7	Y134 Y135 Y136 I140	Y134-N138 PolarHBondContact O-N 3.05Å; Y135-N138 WeakPolarHBondContact O-CA 3.39Å; Y135-N138 PolarHBondContact O-N 2.99Å; Y136-N138 VanDerWaalsContact C-N 3.31Å; N138-I140 VanDerWaalsContact C-N 3.32Å; N138-I140 PolarHBondContact O-N 3.34Å
139	D	93.3	Very high	91	Very high	58 Å²	58	54.2 Å²	54.2	31%	0.31	27%	0.27	S	S	.	.			trans	-88.7	70.9	169.2	-171.3	-5.5	0	0	0	110.6	Y134 S137 H141 S142 Y143	Y134-D139 WeakPolarHBondContact CB-O 3.39Å; Y134-D139 CarbonylContact O-C 3.58Å; Y134-D139 WeakPolarHBondContact O-CA 3.32Å; Y134-D139 PolarHBondContact O-N 3.37Å; S137-D139 VanDerWaalsContact C-N 3.26Å; S137-D139 PolarHBondContact O-N 2.9Å; D139-H141 PolarHBondContact O-N 2.85Å; D139-H141 PolarHBondContact OD1-N 2.95Å; D139-S142 VanDerWaalsContact CG-CB 3.41Å; D139-S142 PolarHBondContact O-N 3.47Å; D139-S142 WeakPolarHBondContact OD1-CB 3.47Å; D139-S142 PolarHBondContact OD1-N 2.93Å; D139-S142 PolarHBondContact OD1-OG 3.41Å; D139-S142 WeakPolarHBondContact OD2-CB 3.3Å; D139-S142 PolarHBondContact OD2-OG 3.2Å; D139-Y143 PolarHBondContact O-N 2.99Å; D139-Y143 VanDerWaalsContact O-N 3.15Å
140	I	92	Very high	90.9	Very high	75 Å²	75	54.6 Å²	54.6	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-27.3	179.3	-58.9	173.2	0	0	0	111.1	N138 Q144	N138-I140 VanDerWaalsContact C-N 3.32Å; N138-I140 PolarHBondContact O-N 3.34Å; I140-Q144 HydrophobicContact CG2-CG 4.47Å; I140-Q144 WeakPolarHBondContact O-CB 3.24Å; I140-Q144 VanDerWaalsContact O-CG 3.3Å; I140-Q144 WeakPolarHBondContact O-CG 3.33Å; I140-Q144 PolarHBondContact O-N 3.44Å
141	H	91.3	Very high	90.8	Very high	100 Å²	100	55.7 Å²	55.7	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-74.1	-50	-179.3	-178.4	-105.2	0	0	0	112	D139 Y143 Q144 Q145	D139-H141 PolarHBondContact O-N 2.85Å; D139-H141 PolarHBondContact OD1-N 2.95Å; H141-Y143 PolarHBondContact O-N 3.37Å; H141-Q144 PolarHBondContact O-N 3.24Å; H141-Q144 VanDerWaalsContact O-N 3.14Å; H141-Q145 PolarHBondContact NE2-NE2 3.27Å; H141-Q145 WeakPolarHBondContact O-CG 3.39Å; H141-Q145 PolarHBondContact O-N 2.84Å
142	S	91.7	Very high	90.8	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-38.3	173.9	-66.5	0	0	0	0	111.4	Y134 D139 Q145 V146 K418	Y134-S142 VanDerWaalsContact CD1-CB 3.46Å; D139-S142 VanDerWaalsContact CG-CB 3.41Å; D139-S142 PolarHBondContact O-N 3.47Å; D139-S142 WeakPolarHBondContact OD1-CB 3.47Å; D139-S142 PolarHBondContact OD1-N 2.93Å; D139-S142 PolarHBondContact OD1-OG 3.41Å; D139-S142 WeakPolarHBondContact OD2-CB 3.3Å; D139-S142 PolarHBondContact OD2-OG 3.2Å; S142-Q145 PolarHBondContact O-N 3.31Å; S142-V146 WeakPolarHBondContact O-CB 3.4Å; S142-V146 WeakPolarHBondContact O-CG2 3.39Å; S142-V146 PolarHBondContact O-N 2.74Å; S142-K418 VanDerWaalsContact OG-CD 3.28Å; S142-K418 WeakPolarHBondContact OG-CD 3.38Å; S142-K418 PolarHBondContact OG-NZ 3.28Å
143	Y	93.1	Very high	90.9	Very high	54 Å²	54	52.4 Å²	52.4	21%	0.212	27%	0.266	C	S	.	.	H	α-helix	trans	-57.2	-49.3	172.5	179	-102.5	0	0	0	112.2	A130 A131 Y135 D139 H141 V146 T147	A130-Y143 HydrophobicContact CB-CD2 3.96Å; A130-Y143 HydrophobicContact CB-CE2 4.13Å; A131-Y143 HydrophobicContact CB-CE2 3.96Å; Y135-Y143 HydrophobicContact CD2-CD1 4.25Å; Y135-Y143 HydrophobicContact CD2-CE1 4.45Å; Y135-Y143 HydrophobicContact CD2-CG 4.47Å; D139-Y143 PolarHBondContact O-N 2.99Å; D139-Y143 VanDerWaalsContact O-N 3.15Å; H141-Y143 PolarHBondContact O-N 3.37Å; Y143-V146 PolarHBondContact O-N 3.33Å; Y143-T147 HydrophobicContact CD1-CG2 4.49Å; Y143-T147 HydrophobicContact CD2-CG2 4Å; Y143-T147 HydrophobicContact CE1-CG2 4.14Å; Y143-T147 HydrophobicContact CE2-CG2 3.62Å; Y143-T147 HydrophobicContact CG-CG2 4.42Å; Y143-T147 WeakPolarHBondContact O-CB 3.36Å; Y143-T147 WeakPolarHBondContact O-CG2 3.47Å; Y143-T147 PolarHBondContact O-N 3.02Å; Y143-T147 PolarHBondContact O-OG1 3.36Å
144	Q	90.7	Very high	91.1	Very high	84 Å²	84	51.6 Å²	51.6	39%	0.393	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-41	178.7	-77.5	174.4	-12.6	0	0	113.2	I140 H141 T147 S148	I140-Q144 HydrophobicContact CG2-CG 4.47Å; I140-Q144 WeakPolarHBondContact O-CB 3.24Å; I140-Q144 VanDerWaalsContact O-CG 3.3Å; I140-Q144 WeakPolarHBondContact O-CG 3.33Å; I140-Q144 PolarHBondContact O-N 3.44Å; H141-Q144 PolarHBondContact O-N 3.24Å; H141-Q144 VanDerWaalsContact O-N 3.14Å; Q144-T147 PolarHBondContact O-OG1 2.94Å; Q144-S148 PolarHBondContact O-N 3.08Å
145	Q	89.2	Confident	91.2	Very high	34 Å²	34	50.8 Å²	50.8	16%	0.159	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-45.3	177.8	-64.2	-65.1	-21.2	0	0	111.3	H141 S142 S148 K418 L422	H141-Q145 PolarHBondContact NE2-NE2 3.27Å; H141-Q145 WeakPolarHBondContact O-CG 3.39Å; H141-Q145 PolarHBondContact O-N 2.84Å; S142-Q145 PolarHBondContact O-N 3.31Å; Q145-S148 PolarHBondContact O-OG 3.08Å; Q145-K418 HydrophobicContact CB-CG 4.13Å; Q145-L422 VanDerWaalsContact CD-CD2 3.45Å; Q145-L422 HydrophobicContact CG-CD2 3.89Å; Q145-L422 HydrophobicContact CG-CG 4.21Å
146	V	90.5	Very high	91.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-71.7	-41.6	179.8	167	0	0	0	0	112.6	L126 A130 Y134 S142 Y143 S148 A149 L414 K418	L126-V146 HydrophobicContact CD1-CG1 4.36Å; A130-V146 HydrophobicContact CB-CG1 3.91Å; Y134-V146 HydrophobicContact CE2-CB 4.46Å; Y134-V146 HydrophobicContact CE2-CG2 3.91Å; S142-V146 WeakPolarHBondContact O-CB 3.4Å; S142-V146 WeakPolarHBondContact O-CG2 3.39Å; S142-V146 PolarHBondContact O-N 2.74Å; Y143-V146 PolarHBondContact O-N 3.33Å; V146-S148 PolarHBondContact O-N 3.27Å; V146-A149 VanDerWaalsContact O-CB 3.27Å; V146-A149 WeakPolarHBondContact O-CB 3.5Å; V146-A149 PolarHBondContact O-N 3.49Å; V146-L414 HydrophobicContact CG1-CD1 3.43Å; V146-L414 VanDerWaalsContact CG1-CD1 3.43Å; V146-L414 HydrophobicContact CG1-CD2 4.4Å; V146-L414 HydrophobicContact CG1-CG 3.72Å; V146-L414 HydrophobicContact CG2-CG 4.26Å; V146-K418 HydrophobicContact CG2-CB 3.75Å; V146-K418 HydrophobicContact CG2-CG 4.15Å
147	T	89.3	Confident	91.5	Very high	29 Å²	29	36.6 Å²	36.6	18%	0.178	20%	0.201	C	C	.	.	H	α-helix	trans	-69.1	-14.5	178.8	51	0	0	0	0	113.3	N127 A130 Y143 Q144 A149 V150	N127-T147 VanDerWaalsContact OD1-CG2 3.29Å; N127-T147 WeakPolarHBondContact OD1-CG2 3.41Å; A130-T147 HydrophobicContact CB-CG2 4.17Å; Y143-T147 HydrophobicContact CD1-CG2 4.49Å; Y143-T147 HydrophobicContact CD2-CG2 4Å; Y143-T147 HydrophobicContact CE1-CG2 4.14Å; Y143-T147 HydrophobicContact CE2-CG2 3.62Å; Y143-T147 HydrophobicContact CG-CG2 4.42Å; Y143-T147 WeakPolarHBondContact O-CB 3.36Å; Y143-T147 WeakPolarHBondContact O-CG2 3.47Å; Y143-T147 PolarHBondContact O-N 3.02Å; Y143-T147 PolarHBondContact O-OG1 3.36Å; Q144-T147 PolarHBondContact O-OG1 2.94Å; T147-A149 PolarHBondContact O-N 2.85Å; T147-V150 VanDerWaalsContact O-CB 3.27Å; T147-V150 WeakPolarHBondContact O-CB 3.41Å; T147-V150 WeakPolarHBondContact O-CG2 3.46Å; T147-V150 PolarHBondContact O-N 3.31Å
148	S	84.6	Confident	91.8	Very high	67 Å²	67	33.1 Å²	33.1	47%	0.469	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.8	167.4	78.8	0	0	0	0	113.6	Q144 Q145 V146 V150	Q144-S148 PolarHBondContact O-N 3.08Å; Q145-S148 PolarHBondContact O-OG 3.08Å; V146-S148 PolarHBondContact O-N 3.27Å; S148-V150 VanDerWaalsContact C-N 3.25Å; S148-V150 PolarHBondContact O-N 3.2Å
149	A	84.9	Confident	92	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.7	171.5	0	0	0	0	0	113.7	L126 V146 T147 S151 G154 L355 M357 V417	L126-A149 HydrophobicContact CD2-CB 4.43Å; V146-A149 VanDerWaalsContact O-CB 3.27Å; V146-A149 WeakPolarHBondContact O-CB 3.5Å; V146-A149 PolarHBondContact O-N 3.49Å; T147-A149 PolarHBondContact O-N 2.85Å; A149-S151 PolarHBondContact O-N 3.04Å; A149-G154 WeakPolarHBondContact O-CA 3Å; A149-L355 HydrophobicContact CB-CB 4.39Å; A149-L355 HydrophobicContact CB-CD1 4.42Å; A149-L355 HydrophobicContact CB-CD2 4.01Å; A149-M357 HydrophobicContact CB-CE 3.59Å; A149-V417 HydrophobicContact CB-CG1 4.22Å
150	V	90.7	Very high	92	Very high	13 Å²	13	27.2 Å²	27.2	8%	0.079	15%	0.148	C	C	.	.			trans	-79.2	75.5	176.7	-175	0	0	0	0	110	A123 L126 T147 S148 F245	A123-V150 HydrophobicContact CB-CG1 3.5Å; A123-V150 VanDerWaalsContact CB-CG1 3.5Å; L126-V150 HydrophobicContact CB-CG2 4.42Å; L126-V150 HydrophobicContact CD2-CG2 3.77Å; L126-V150 HydrophobicContact CG-CG2 4Å; T147-V150 VanDerWaalsContact O-CB 3.27Å; T147-V150 WeakPolarHBondContact O-CB 3.41Å; T147-V150 WeakPolarHBondContact O-CG2 3.46Å; T147-V150 PolarHBondContact O-N 3.31Å; S148-V150 VanDerWaalsContact C-N 3.25Å; S148-V150 PolarHBondContact O-N 3.2Å; V150-F245 HydrophobicContact CG1-CD1 4.15Å; V150-F245 HydrophobicContact CG1-CE1 4.48Å
151	S	91.9	Very high	92	Very high	23 Å²	23	28.2 Å²	28.2	16%	0.161	15%	0.151	C	C	.	.	S	Bend	trans	-147.8	170	176.9	60.2	0	0	0	0	110	A149 G153 G154 Y155 E248	A149-S151 PolarHBondContact O-N 3.04Å; S151-G153 PolarHBondContact O-N 2.88Å; S151-G154 PolarHBondContact O-N 2.97Å; S151-G154 PolarHBondContact OG-N 3.47Å; S151-Y155 PolarHBondContact O-N 3.44Å; S151-Y155 VanDerWaalsContact O-N 3.13Å; S151-E248 VanDerWaalsContact CB-OE1 3.27Å; S151-E248 WeakPolarHBondContact CB-OE1 3.41Å
152	M	93	Very high	92	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-38.7	170.6	-178.2	55.9	56.4	0	0	111.1	P102 P119 Y155 L156 A205 D243 F245	P102-M152 HydrophobicContact CB-CG 4.47Å; P102-M152 HydrophobicContact CB-SD 4.43Å; P102-M152 HydrophobicContact CG-CE 3.59Å; P102-M152 HydrophobicContact CG-CG 4.17Å; P102-M152 HydrophobicContact CG-SD 4.04Å; P119-M152 HydrophobicContact CB-CE 3.8Å; P119-M152 HydrophobicContact CG-CE 3.67Å; M152-Y155 PolarHBondContact O-N 3.12Å; M152-Y155 HydrophobicContact SD-CD1 3.99Å; M152-L156 HydrophobicContact CG-CD1 3.95Å; M152-L156 HydrophobicContact CG-CG 4.22Å; M152-L156 WeakPolarHBondContact O-CB 3.4Å; M152-L156 VanDerWaalsContact O-CG 3.25Å; M152-L156 WeakPolarHBondContact O-CG 3.37Å; M152-L156 PolarHBondContact O-N 3.1Å; M152-L156 HydrophobicContact SD-CD1 4.15Å; M152-L156 HydrophobicContact SD-CD2 4.14Å; M152-L156 HydrophobicContact SD-CG 3.9Å; M152-A205 CarbonylContact C-O 3.59Å; M152-D243 HydrophobicContact CE-CB 3.92Å; M152-F245 HydrophobicContact CB-CE2 3.99Å; M152-F245 HydrophobicContact CB-CZ 4.34Å; M152-F245 HydrophobicContact CE-CE2 3.86Å; M152-F245 HydrophobicContact CE-CZ 4.27Å; M152-F245 VanDerWaalsContact N-CZ 3.31Å
153	G	93.2	Very high	92.1	Very high	8 Å²	8	28.9 Å²	28.9	8%	0.082	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-50.7	177.9	0	0	0	0	0	113	S151 Y155 L156 E157 A205	S151-G153 PolarHBondContact O-N 2.88Å; G153-Y155 VanDerWaalsContact C-N 3.33Å; G153-Y155 PolarHBondContact O-N 3.03Å; G153-L156 PolarHBondContact O-N 3.32Å; G153-E157 WeakPolarHBondContact O-CG 3.45Å; G153-E157 PolarHBondContact O-N 3.15Å; G153-A205 WeakPolarHBondContact CA-O 3.06Å; G153-A205 PolarHBondContact N-O 2.88Å
154	G	94	Very high	92.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.8	-33.2	179	0	0	0	0	0	113.9	A149 S151 S158	A149-G154 WeakPolarHBondContact O-CA 3Å; S151-G154 PolarHBondContact O-N 2.97Å; S151-G154 PolarHBondContact OG-N 3.47Å; G154-S158 WeakPolarHBondContact O-CB 3.36Å; G154-S158 PolarHBondContact O-N 3.37Å; G154-S158 VanDerWaalsContact O-N 3.12Å; G154-S158 PolarHBondContact O-OG 3.48Å
155	Y	95.2	Very high	92.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-46.3	170.5	171.6	-102.2	0	0	0	112	L111 K117 P119 F122 S151 M152 G153 S158 L159 V361	L111-Y155 WeakPolarHBondContact CD2-OH 3.34Å; K117-Y155 PolarHBondContact O-OH 3.28Å; P119-Y155 HydrophobicContact CB-CD1 3.8Å; P119-Y155 HydrophobicContact CB-CD2 4.18Å; P119-Y155 HydrophobicContact CB-CE1 4.02Å; P119-Y155 HydrophobicContact CB-CE2 4.37Å; P119-Y155 HydrophobicContact CB-CG 3.88Å; P119-Y155 HydrophobicContact CG-CD1 3.74Å; P119-Y155 HydrophobicContact CG-CE1 3.48Å; P119-Y155 VanDerWaalsContact CG-CE1 3.48Å; P119-Y155 HydrophobicContact CG-CE2 4.36Å; P119-Y155 HydrophobicContact CG-CG 4.28Å; F122-Y155 HydrophobicContact CB-CD2 3.84Å; F122-Y155 HydrophobicContact CB-CE2 4.25Å; F122-Y155 AromaticContact CD1-CD2 3.81Å; F122-Y155 HydrophobicContact CD1-CD2 3.81Å; F122-Y155 HydrophobicContact CD1-CG 4.3Å; F122-Y155 HydrophobicContact CD2-CD2 4.32Å; F122-Y155 HydrophobicContact CE1-CD2 4.42Å; F122-Y155 AromaticContact CG-CD2 3.75Å; F122-Y155 HydrophobicContact CG-CD2 3.75Å; S151-Y155 PolarHBondContact O-N 3.44Å; S151-Y155 VanDerWaalsContact O-N 3.13Å; M152-Y155 PolarHBondContact O-N 3.12Å; M152-Y155 HydrophobicContact SD-CD1 3.99Å; G153-Y155 VanDerWaalsContact C-N 3.33Å; G153-Y155 PolarHBondContact O-N 3.03Å; Y155-S158 PolarHBondContact O-N 3.01Å; Y155-L159 HydrophobicContact CD1-CD1 4.08Å; Y155-L159 HydrophobicContact CE1-CD1 3.47Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.47Å; Y155-L159 HydrophobicContact CE1-CG 4.22Å; Y155-L159 HydrophobicContact CE2-CD1 4.43Å; Y155-L159 HydrophobicContact CE2-CD2 4.36Å; Y155-L159 HydrophobicContact CE2-CG 4.36Å; Y155-L159 WeakPolarHBondContact O-CG 3.14Å; Y155-L159 PolarHBondContact O-N 2.78Å; Y155-V361 HydrophobicContact CD2-CG1 4.22Å; Y155-V361 HydrophobicContact CE2-CG1 4.3Å
156	L	95.7	Very high	92.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-36.3	178	-67	177.3	0	0	0	112.8	M152 G153 S158 L159 V164 L208 I342	M152-L156 HydrophobicContact CG-CD1 3.95Å; M152-L156 HydrophobicContact CG-CG 4.22Å; M152-L156 WeakPolarHBondContact O-CB 3.4Å; M152-L156 VanDerWaalsContact O-CG 3.25Å; M152-L156 WeakPolarHBondContact O-CG 3.37Å; M152-L156 PolarHBondContact O-N 3.1Å; M152-L156 HydrophobicContact SD-CD1 4.15Å; M152-L156 HydrophobicContact SD-CD2 4.14Å; M152-L156 HydrophobicContact SD-CG 3.9Å; G153-L156 PolarHBondContact O-N 3.32Å; L156-S158 VanDerWaalsContact C-N 3.28Å; L156-S158 PolarHBondContact O-N 3.24Å; L156-L159 HydrophobicContact CD2-CD1 4.19Å; L156-L159 PolarHBondContact O-N 2.76Å; L156-V164 HydrophobicContact CD2-CG1 4.32Å; L156-L208 HydrophobicContact CD1-CB 4.29Å; L156-L208 HydrophobicContact CD1-CD1 4.08Å; L156-L208 HydrophobicContact CD2-CD1 4.03Å; L156-L208 HydrophobicContact CD2-CD2 4.08Å; L156-I342 HydrophobicContact CB-CD1 3.67Å; L156-I342 HydrophobicContact CD1-CD1 4.31Å
157	E	95.5	Very high	92.9	Very high	2 Å²	2	28 Å²	28	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-30.1	172.5	-77	-167.3	-163	0	0	112.8	G153 A341 I342 F353 C354 L355	G153-E157 WeakPolarHBondContact O-CG 3.45Å; G153-E157 PolarHBondContact O-N 3.15Å; E157-A341 WeakPolarHBondContact OE1-CA 3.25Å; E157-I342 HydrophobicContact CG-CB 3.77Å; E157-I342 HydrophobicContact CG-CD1 4.34Å; E157-I342 HydrophobicContact CG-CG2 3.75Å; E157-I342 WeakPolarHBondContact OE1-CB 3.4Å; E157-I342 WeakPolarHBondContact OE1-CG2 3.02Å; E157-I342 PolarHBondContact OE1-N 3.01Å; E157-F353 HydrophobicContact CB-CB 3.7Å; E157-F353 HydrophobicContact CB-CD1 4.43Å; E157-F353 HydrophobicContact CB-CG 4.14Å; E157-F353 HydrophobicContact CG-CB 3.73Å; E157-F353 HydrophobicContact CG-CD1 3.59Å; E157-F353 HydrophobicContact CG-CE1 4.41Å; E157-F353 HydrophobicContact CG-CG 3.81Å; E157-C354 PolarHBondContact OE2-N 2.93Å; E157-L355 HydrophobicContact CB-CB 4.13Å; E157-L355 WeakPolarHBondContact OE2-CA 3.29Å; E157-L355 VanDerWaalsContact OE2-CB 3.24Å; E157-L355 WeakPolarHBondContact OE2-CB 3.04Å; E157-L355 WeakPolarHBondContact OE2-CG 3.13Å; E157-L355 PolarHBondContact OE2-N 2.75Å
158	S	96	Very high	93.2	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-83	-11.3	178.8	-59.8	0	0	0	0	114.2	G154 Y155 L156 L355 M357 V361	G154-S158 WeakPolarHBondContact O-CB 3.36Å; G154-S158 PolarHBondContact O-N 3.37Å; G154-S158 VanDerWaalsContact O-N 3.12Å; G154-S158 PolarHBondContact O-OG 3.48Å; Y155-S158 PolarHBondContact O-N 3.01Å; L156-S158 VanDerWaalsContact C-N 3.28Å; L156-S158 PolarHBondContact O-N 3.24Å; S158-L355 PolarHBondContact OG-O 2.03Å; S158-L355 VanDerWaalsContact OG-O 3.12Å; S158-M357 PolarHBondContact OG-N 2.92Å; S158-V361 WeakPolarHBondContact O-CG2 3.49Å
159	L	96.1	Very high	93.7	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.031	13%	0.131	C	C	.	.	S	Bend	trans	-86.2	149.4	-177.3	-81.2	176.4	0	0	0	112.9	L116 Y155 L156 Q161 V164 L167 V361	L116-L159 HydrophobicContact CD1-CD2 3.82Å; Y155-L159 HydrophobicContact CD1-CD1 4.08Å; Y155-L159 HydrophobicContact CE1-CD1 3.47Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.47Å; Y155-L159 HydrophobicContact CE1-CG 4.22Å; Y155-L159 HydrophobicContact CE2-CD1 4.43Å; Y155-L159 HydrophobicContact CE2-CD2 4.36Å; Y155-L159 HydrophobicContact CE2-CG 4.36Å; Y155-L159 WeakPolarHBondContact O-CG 3.14Å; Y155-L159 PolarHBondContact O-N 2.78Å; L156-L159 HydrophobicContact CD2-CD1 4.19Å; L156-L159 PolarHBondContact O-N 2.76Å; L159-Q161 PolarHBondContact O-N 2.91Å; L159-Q161 PolarHBondContact O-NE2 3.36Å; L159-V164 HydrophobicContact CB-CG2 3.46Å; L159-V164 VanDerWaalsContact CB-CG2 3.46Å; L159-V164 HydrophobicContact CD1-CG2 4.03Å; L159-V164 HydrophobicContact CG-CG2 4.44Å; L159-L167 HydrophobicContact CD1-CD1 3.54Å; L159-V361 HydrophobicContact CD2-CB 4.38Å; L159-V361 HydrophobicContact CD2-CG1 4.4Å
160	P	94.4	Very high	94.2	Very high	60 Å²	60	28 Å²	28	39%	0.39	15%	0.152	S	C	.	.			trans	-58.5	125.4	169.1	-22.4	33.1	0	0	0	111.3	I162 V163 V164	P160-I162 HydrophobicContact CB-CG2 4.43Å; P160-I162 PolarHBondContact O-N 3.17Å; P160-V163 HydrophobicContact CB-CG2 4.22Å; P160-V163 WeakPolarHBondContact O-CA 3.04Å; P160-V163 WeakPolarHBondContact O-CB 3.33Å; P160-V163 PolarHBondContact O-N 2.77Å; P160-V164 PolarHBondContact O-N 2.04Å
161	Q	90.1	Very high	94.4	Very high	95 Å²	95	29.2 Å²	29.2	44%	0.444	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25	-173.1	-63.7	-58.9	-53.1	0	0	114	L159 V163 P165 F353	L159-Q161 PolarHBondContact O-N 2.91Å; L159-Q161 PolarHBondContact O-NE2 3.36Å; Q161-V163 PolarHBondContact O-N 3.31Å; Q161-P165 WeakPolarHBondContact O-CD 3.15Å; Q161-F353 HydrophobicContact CG-CE2 4.45Å
162	I	91.5	Very high	94.4	Very high	120 Å²	120	30.9 Å²	30.9	62%	0.615	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-12.1	173.8	-162.9	164.2	0	0	0	113.9	P160 K166	P160-I162 HydrophobicContact CB-CG2 4.43Å; P160-I162 PolarHBondContact O-N 3.17Å; I162-K166 WeakPolarHBondContact O-CD 3.24Å; I162-K166 VanDerWaalsContact O-CE 3.23Å; I162-K166 WeakPolarHBondContact O-CE 3.38Å; I162-K166 PolarHBondContact O-NZ 3.35Å
163	V	95.4	Very high	94.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-41.3	177.9	-177.5	0	0	0	0	111	I110 Y114 L116 P160 Q161 K166 L167	I110-V163 HydrophobicContact CG2-CG1 4Å; Y114-V163 HydrophobicContact CD1-CG2 4.3Å; Y114-V163 HydrophobicContact CD2-CG1 4.18Å; Y114-V163 HydrophobicContact CD2-CG2 3.81Å; Y114-V163 HydrophobicContact CE1-CG2 4.36Å; Y114-V163 HydrophobicContact CE2-CG1 4.5Å; Y114-V163 HydrophobicContact CE2-CG2 3.88Å; Y114-V163 HydrophobicContact CG-CG2 4.05Å; L116-V163 HydrophobicContact CD1-CG1 4.21Å; L116-V163 HydrophobicContact CD1-CG2 4.39Å; P160-V163 HydrophobicContact CB-CG2 4.22Å; P160-V163 WeakPolarHBondContact O-CA 3.04Å; P160-V163 WeakPolarHBondContact O-CB 3.33Å; P160-V163 PolarHBondContact O-N 2.77Å; Q161-V163 PolarHBondContact O-N 3.31Å; V163-K166 WeakPolarHBondContact O-CB 3.39Å; V163-K166 PolarHBondContact O-N 3.09Å; V163-L167 HydrophobicContact CG1-CD1 4.18Å; V163-L167 HydrophobicContact CG1-CD2 4.08Å; V163-L167 HydrophobicContact CG1-CG 4.02Å; V163-L167 PolarHBondContact O-N 2.93Å
164	V	94.8	Very high	94.3	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	19%	0.189	C	C	.	.	H	α-helix	trans	-45.2	-55.4	-173.9	167.7	0	0	0	0	113.7	L156 L159 P160 K166 L167 L208	L156-V164 HydrophobicContact CD2-CG1 4.32Å; L159-V164 HydrophobicContact CB-CG2 3.46Å; L159-V164 VanDerWaalsContact CB-CG2 3.46Å; L159-V164 HydrophobicContact CD1-CG2 4.03Å; L159-V164 HydrophobicContact CG-CG2 4.44Å; P160-V164 PolarHBondContact O-N 2.04Å; V164-K166 PolarHBondContact O-N 3.42Å; V164-K166 VanDerWaalsContact O-N 3.1Å; V164-L167 PolarHBondContact O-N 3.48Å; V164-L208 HydrophobicContact CG1-CD1 3.64Å
165	P	93.8	Very high	94.3	Very high	50 Å²	50	36.4 Å²	36.4	33%	0.325	20%	0.195	S	C	.	.	H	α-helix	trans	-65.9	-15.6	-178.3	-22.3	34.8	0	0	0	115.3	Q161 N209	Q161-P165 WeakPolarHBondContact O-CD 3.15Å; P165-N209 PolarHBondContact O-ND2 3.24Å
166	K	95.5	Very high	94.2	Very high	101 Å²	101	37.6 Å²	37.6	44%	0.439	20%	0.201	S	C	.	.	H	α-helix	trans	-90.8	-18.8	-176.7	-60	172.1	-179.4	150.8	0	113	I110 I162 V163 V164	I110-K166 HydrophobicContact CD1-CB 4.25Å; I110-K166 WeakPolarHBondContact CD1-O 3.4Å; I162-K166 WeakPolarHBondContact O-CD 3.24Å; I162-K166 VanDerWaalsContact O-CE 3.23Å; I162-K166 WeakPolarHBondContact O-CE 3.38Å; I162-K166 PolarHBondContact O-NZ 3.35Å; V163-K166 WeakPolarHBondContact O-CB 3.39Å; V163-K166 PolarHBondContact O-N 3.09Å; V164-K166 PolarHBondContact O-N 3.42Å; V164-K166 VanDerWaalsContact O-N 3.1Å
167	L	95.8	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-76.4	-35.4	177	-60.7	177.2	0	0	0	111.5	L103 S104 A107 I110 L111 L159 V163 V164 L208	L103-L167 HydrophobicContact CD2-CB 4.03Å; S104-L167 WeakPolarHBondContact CB-O 3.29Å; S104-L167 PolarHBondContact N-O 3.38Å; S104-L167 PolarHBondContact OG-O 3.42Å; A107-L167 HydrophobicContact CB-CB 4.3Å; A107-L167 HydrophobicContact CB-CD2 4.14Å; I110-L167 HydrophobicContact CB-CD2 3.84Å; I110-L167 HydrophobicContact CG2-CD2 3.62Å; L111-L167 HydrophobicContact CD2-CD1 3.85Å; L111-L167 HydrophobicContact CD2-CD2 3.81Å; L111-L167 HydrophobicContact CG-CD2 3.84Å; L159-L167 HydrophobicContact CD1-CD1 3.54Å; V163-L167 HydrophobicContact CG1-CD1 4.18Å; V163-L167 HydrophobicContact CG1-CD2 4.08Å; V163-L167 HydrophobicContact CG1-CG 4.02Å; V163-L167 PolarHBondContact O-N 2.93Å; V164-L167 PolarHBondContact O-N 3.48Å; L167-L208 HydrophobicContact CB-CD2 3.93Å
168	G	94.8	Very high	94.1	Very high	5 Å²	5	41.7 Å²	41.7	5%	0.052	22%	0.221	C	C	.	.	S	Bend	trans	-76.8	161.3	-179.6	0	0	0	0	0	113.4	P102 L208 N209	P102-G168 WeakPolarHBondContact O-CA 3.37Å; G168-L208 VanDerWaalsContact N-CD2 3.29Å; G168-N209 PolarHBondContact O-ND2 2.72Å
169	H	95.4	Very high	94.1	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.046	23%	0.225	C	C	.	.			trans	-59.7	152.5	179.3	-52.3	-92.9	0	0	0	112.2	N99 R101 L103 T174 N209 Y211 L232 D233	N99-H169 PolarHBondContact ND2-CD2 3.4Å; N99-H169 PolarHBondContact ND2-CE1 3.13Å; N99-H169 PolarHBondContact ND2-NE2 2.83Å; R101-H169 PolarHBondContact O-NE2 3.04Å; L103-H169 PolarHBondContact O-CE1 3.23Å; L103-H169 PolarHBondContact O-NE2 2.56Å; H169-T174 WeakPolarHBondContact CB-OG1 3.28Å; H169-N209 WeakPolarHBondContact O-CB 3.08Å; H169-N209 PolarHBondContact O-ND2 2.86Å; H169-Y211 PolarHBondContact O-OH 3.39Å; H169-Y211 VanDerWaalsContact O-OH 3.13Å; H169-L232 PolarHBondContact CE1-O 3.28Å; H169-D233 IonicContact ND1-OD2 2.72Å
170	N	95	Very high	94.2	Very high	81 Å²	81	42.1 Å²	42.1	43%	0.433	22%	0.223	S	C	.	.			trans	-106.9	131.5	178.8	-178	-4.4	0	0	0	110.2	S172 H173 T174 Y211	N170-S172 PolarHBondContact ND2-OG 3.39Å; N170-S172 PolarHBondContact O-N 2.88Å; N170-S172 PolarHBondContact OD1-N 3.07Å; N170-S172 PolarHBondContact OD1-OG 3.4Å; N170-H173 WeakPolarHBondContact O-CA 3.05Å; N170-H173 PolarHBondContact O-N 3.06Å; N170-T174 PolarHBondContact O-N 3.21Å; N170-T174 PolarHBondContact O-OG1 2.86Å; N170-Y211 WeakPolarHBondContact CA-OH 3.33Å
171	L	95	Very high	94.3	Very high	37 Å²	37	41.1 Å²	41.1	19%	0.194	21%	0.214	C	C	.	.	H	α-helix	trans	-41.5	-43.9	177	-176.7	67.9	0	0	0	114	H173 T174 V175 W199 Y211	L171-H173 PolarHBondContact O-N 3.44Å; L171-T174 PolarHBondContact O-N 2.72Å; L171-V175 HydrophobicContact CD1-CB 4.05Å; L171-V175 HydrophobicContact CD1-CG2 3.68Å; L171-V175 PolarHBondContact O-N 2.04Å; L171-W199 HydrophobicContact CD1-CD2 3.7Å; L171-W199 HydrophobicContact CD1-CE3 3.77Å; L171-W199 HydrophobicContact CD1-CG 4.14Å; L171-W199 HydrophobicContact CD1-CH2 4.34Å; L171-W199 HydrophobicContact CD1-CZ2 4.3Å; L171-W199 HydrophobicContact CD1-CZ3 4.09Å; L171-W199 HydrophobicContact CD2-CB 3.57Å; L171-W199 HydrophobicContact CD2-CD2 4.05Å; L171-W199 HydrophobicContact CD2-CG 3.56Å; L171-W199 HydrophobicContact CG-CG 4.49Å; L171-Y211 HydrophobicContact CB-CD1 3.99Å; L171-Y211 HydrophobicContact CB-CE1 3.61Å; L171-Y211 HydrophobicContact CB-CE2 4.34Å; L171-Y211 HydrophobicContact CB-CG 4.49Å; L171-Y211 HydrophobicContact CD1-CD1 4.04Å; L171-Y211 HydrophobicContact CD1-CG 4.04Å; L171-Y211 HydrophobicContact CD2-CD1 4.46Å; L171-Y211 HydrophobicContact CG-CD1 4.39Å; L171-Y211 HydrophobicContact CG-CE1 4.47Å; L171-Y211 PolarHBondContact N-OH 2.98Å; L171-Y211 VanDerWaalsContact N-OH 3.17Å
172	S	91.4	Very high	94.5	Very high	58 Å²	58	37.1 Å²	37.1	41%	0.406	20%	0.196	S	C	.	.	H	α-helix	trans	-70.5	-10.1	-177.2	58.4	0	0	0	0	115	N170 K474	N170-S172 PolarHBondContact ND2-OG 3.39Å; N170-S172 PolarHBondContact O-N 2.88Å; N170-S172 PolarHBondContact OD1-N 3.07Å; N170-S172 PolarHBondContact OD1-OG 3.4Å; S172-K474 PolarHBondContact O-NZ 2.91Å
173	H	90.4	Very high	94.5	Very high	100 Å²	100	32.1 Å²	32.1	46%	0.463	17%	0.172	S	C	.	.	H	α-helix	trans	-109	-37.6	173.6	-59	171	0	0	0	110.9	N170 L171 I176	N170-H173 WeakPolarHBondContact O-CA 3.05Å; N170-H173 PolarHBondContact O-N 3.06Å; L171-H173 PolarHBondContact O-N 3.44Å; H173-I176 WeakPolarHBondContact O-CG2 3.42Å
174	T	94	Very high	94.1	Very high	10 Å²	10	38.1 Å²	38.1	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-70.9	-51.9	178	-57.7	0	0	0	0	112.6	L97 H169 N170 L171 I176 V230 Y231	L97-T174 HydrophobicContact CD2-CG2 4.38Å; H169-T174 WeakPolarHBondContact CB-OG1 3.28Å; N170-T174 PolarHBondContact O-N 3.21Å; N170-T174 PolarHBondContact O-OG1 2.86Å; L171-T174 PolarHBondContact O-N 2.72Å; T174-I176 PolarHBondContact O-N 3.1Å; T174-V230 HydrophobicContact CG2-CG1 3.89Å; T174-V230 CarbonylContact O-C 3.57Å; T174-V230 VanDerWaalsContact O-CA 3.24Å; T174-V230 WeakPolarHBondContact O-CA 3.32Å; T174-Y231 PolarHBondContact O-N 2.98Å
175	V	94.9	Very high	93.6	Very high	20 Å²	20	41.7 Å²	41.7	12%	0.121	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	92.7	-179	-179.7	0	0	0	0	108.6	L97 L171 H177 C178 W199 L228	L97-V175 HydrophobicContact CD2-CG2 3.85Å; L171-V175 HydrophobicContact CD1-CB 4.05Å; L171-V175 HydrophobicContact CD1-CG2 3.68Å; L171-V175 PolarHBondContact O-N 2.04Å; V175-H177 WeakPolarHBondContact CG1-O 3.46Å; V175-C178 HydrophobicContact CG1-CB 3.79Å; V175-W199 HydrophobicContact CG1-CZ2 4.08Å; V175-W199 HydrophobicContact CG2-CH2 3.94Å; V175-W199 HydrophobicContact CG2-CZ2 4.12Å; V175-L228 HydrophobicContact CG1-CD2 4.26Å
176	I	92.3	Very high	93.1	Very high	26 Å²	26	45.3 Å²	45.3	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-19.2	-176.7	51.2	161.7	0	0	0	113.2	H173 T174 F229 W466 A471 L514	H173-I176 WeakPolarHBondContact O-CG2 3.42Å; T174-I176 PolarHBondContact O-N 3.1Å; I176-F229 HydrophobicContact CD1-CB 3.91Å; I176-F229 HydrophobicContact CG1-CB 3.86Å; I176-F229 WeakPolarHBondContact CG1-O 3.38Å; I176-F229 PolarHBondContact N-O 3.09Å; I176-W466 HydrophobicContact CD1-CH2 4.27Å; I176-W466 HydrophobicContact CD1-CZ2 3.46Å; I176-W466 VanDerWaalsContact CD1-CZ2 3.46Å; I176-A471 HydrophobicContact CB-CB 4.39Å; I176-L514 HydrophobicContact CD1-CD2 3.58Å
177	H	93	Very high	92.9	Very high	70 Å²	70	47.7 Å²	47.7	32%	0.324	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139.6	174.6	-171.8	59.3	0	0	0	109.6	V175 M179 L228 F229	V175-H177 WeakPolarHBondContact CG1-O 3.46Å; H177-M179 WeakPolarHBondContact CE1-CG 3.45Å; H177-M179 VanDerWaalsContact NE2-CG 3.27Å; H177-M179 WeakPolarHBondContact NE2-CG 3.16Å; H177-L228 WeakPolarHBondContact O-CA 3.38Å; H177-F229 HydrophobicContact CB-CB 3.85Å; H177-F229 HydrophobicContact CB-CD2 3.5Å; H177-F229 VanDerWaalsContact CB-CD2 3.5Å; H177-F229 HydrophobicContact CB-CE2 4.27Å; H177-F229 HydrophobicContact CB-CG 3.92Å; H177-F229 AromaticContact CD2-CD2 3.49Å; H177-F229 VanDerWaalsContact CD2-CD2 3.49Å; H177-F229 WeakPolarHBondContact CD2-CD2 3.44Å; H177-F229 AromaticContact CD2-CE2 3.37Å; H177-F229 WeakPolarHBondContact CD2-CE2 3.46Å; H177-F229 AromaticContact CD2-CZ 3.93Å; H177-F229 AromaticContact CG-CD2 3.75Å; H177-F229 PolarHBondContact N-O 2.64Å; H177-F229 PolarHBondContact O-N 2.77Å
178	C	96.6	Very high	92.7	Very high	17 Å²	17	56.6 Å²	56.6	12%	0.115	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	107.9	179.6	-166.5	0	0	0	0	110.3	V175 C193 E227 L228	V175-C178 HydrophobicContact CG1-CB 3.79Å; C178-C193 VanDerWaalsContact CA-SG 3.59Å; C178-C193 HydrophobicContact CB-CB 3.73Å; C178-C193 WeakPolarHBondContact CB-SG 3.22Å; C178-C193 PolarHBondContact O-N 2.86Å; C178-C193 PolarHBondContact O-SG 3.39Å; C178-C193 WeakPolarHBondContact SG-CB 3.03Å; C178-C193 CovalentContact SG-SG 2.02Å; C178-C193 PolarHBondContact SG-SG 2.78Å; C178-E227 WeakPolarHBondContact CA-O 3.07Å; C178-L228 HydrophobicContact CB-CD2 3.94Å; C178-L228 WeakPolarHBondContact SG-CD2 3.34Å
179	M	96.7	Very high	92.7	Very high	20 Å²	20	58.2 Å²	58.2	10%	0.099	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.8	177.7	-53.6	-56.3	-66.1	0	0	110.9	H177 M190 N191 E192 I226 E227	H177-M179 WeakPolarHBondContact CE1-CG 3.45Å; H177-M179 VanDerWaalsContact NE2-CG 3.27Å; H177-M179 WeakPolarHBondContact NE2-CG 3.16Å; M179-M190 HydrophobicContact CB-CG 4.09Å; M179-M190 HydrophobicContact CB-SD 4.27Å; M179-M190 HydrophobicContact CE-CE 4.08Å; M179-M190 HydrophobicContact CE-CG 3.73Å; M179-M190 HydrophobicContact CE-SD 4.14Å; M179-M190 HydrophobicContact CG-SD 4.38Å; M179-N191 WeakPolarHBondContact CA-O 3.35Å; M179-E192 HydrophobicContact CE-CG 4.05Å; M179-E192 HydrophobicContact SD-CB 4.47Å; M179-E192 HydrophobicContact SD-CG 3.94Å; M179-I226 WeakPolarHBondContact O-CA 3.35Å; M179-E227 PolarHBondContact N-O 2.04Å; M179-E227 PolarHBondContact O-N 2.93Å
180	V	97.8	Very high	92.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.3	172.2	-179.4	0	0	0	0	109.1	M190 N191 V196 Y213 I215 V223 T225 I226	V180-M190 WeakPolarHBondContact O-CA 3.39Å; V180-N191 PolarHBondContact N-O 3.08Å; V180-N191 PolarHBondContact O-N 3.38Å; V180-V196 HydrophobicContact CB-CG2 3.69Å; V180-V196 HydrophobicContact CG1-CG2 4.05Å; V180-V196 HydrophobicContact CG2-CG2 3.78Å; V180-Y213 HydrophobicContact CG2-CE1 3.96Å; V180-Y213 WeakPolarHBondContact CG2-OH 3.5Å; V180-I215 HydrophobicContact CG1-CD1 4.42Å; V180-V223 HydrophobicContact CG1-CB 4.33Å; V180-V223 HydrophobicContact CG1-CG1 3.66Å; V180-V223 HydrophobicContact CG1-CG2 3.64Å; V180-T225 WeakPolarHBondContact CA-O 3.32Å; V180-I226 HydrophobicContact CG2-CG1 4.41Å; V180-I226 HydrophobicContact CG2-CG2 4.42Å
181	I	96.6	Very high	92.7	Very high	38 Å²	38	60.9 Å²	60.9	20%	0.195	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.7	174.5	-54.1	175.5	0	0	0	108.3	R188 V189 M190 R224 T225	I181-R188 HydrophobicContact CG2-CB 4.16Å; I181-V189 WeakPolarHBondContact CA-O 3.37Å; I181-M190 HydrophobicContact CG1-CB 4.36Å; I181-M190 HydrophobicContact CG1-CG 4.09Å; I181-R224 PolarHBondContact O-N 2.96Å; I181-T225 PolarHBondContact N-O 2.92Å; I181-T225 PolarHBondContact O-N 2.77Å; I181-T225 VanDerWaalsContact O-N 3.16Å
182	H	94.5	Very high	92.8	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.056	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	164	176.1	69.5	96.5	0	0	0	112.1	R188 V189 N191 V223	H182-R188 WeakPolarHBondContact O-CA 3.28Å; H182-V189 PolarHBondContact N-O 2.92Å; H182-V189 PolarHBondContact O-N 3.42Å; H182-N191 PolarHBondContact CD2-OD1 3.1Å; H182-N191 PolarHBondContact NE2-OD1 3.46Å; H182-V223 HydrophobicContact CB-CG2 3.9Å
183	A	90.5	Very high	93	Very high	15 Å²	15	61.1 Å²	61.1	12%	0.124	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.7	-179.3	0	0	0	0	0	111	K187 H222	A183-K187 WeakPolarHBondContact CA-O 3.14Å; A183-H222 PolarHBondContact N-O 2.97Å
184	E	87.2	Confident	93.2	Very high	128 Å²	128	63.1 Å²	63.1	60%	0.598	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	89.8	173.7	-167.1	169.6	-165.2	0	0	108.4	S186 K187 V189	E184-S186 PolarHBondContact O-N 3.01Å; E184-K187 PolarHBondContact N-O 3.38Å; E184-K187 PolarHBondContact O-N 3.29Å; E184-V189 HydrophobicContact CB-CG2 3.9Å
185	G	84.7	Confident	93.3	Very high	77 Å²	77	67.4 Å²	67.4	79%	0.794	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	-117.5	-166.5	0	0	0	0	0	111.1
186	S	83	Confident	93.4	Very high	126 Å²	126	66.5 Å²	66.5	88%	0.881	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-14.8	175.5	56.8	0	0	0	0	114.1	E184	E184-S186 PolarHBondContact O-N 3.01Å
187	K	90.3	Very high	93.6	Very high	152 Å²	152	65.5 Å²	65.5	66%	0.661	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	145.8	-179	-66	-178.6	-179.4	177.3	0	110.6	A183 E184	A183-K187 WeakPolarHBondContact CA-O 3.14Å; E184-K187 PolarHBondContact N-O 3.38Å; E184-K187 PolarHBondContact O-N 3.29Å
188	R	91.8	Very high	93.8	Very high	186 Å²	186	66.4 Å²	66.4	70%	0.702	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.8	162.7	-63.7	-174.8	-172.5	-172.7	3.9	107.8	I181 H182	I181-R188 HydrophobicContact CG2-CB 4.16Å; H182-R188 WeakPolarHBondContact O-CA 3.28Å
189	V	95.2	Very high	93.8	Very high	39 Å²	39	68.2 Å²	68.2	24%	0.236	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.7	177.2	-175.5	0	0	0	0	107.9	I181 H182 E184 N191	I181-V189 WeakPolarHBondContact CA-O 3.37Å; H182-V189 PolarHBondContact N-O 2.92Å; H182-V189 PolarHBondContact O-N 3.42Å; E184-V189 HydrophobicContact CB-CG2 3.9Å; V189-N191 WeakPolarHBondContact CG1-OD1 3.29Å
190	M	95.2	Very high	93.7	Very high	113 Å²	113	68.3 Å²	68.3	56%	0.557	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	117	-178.6	-175.8	178.8	66.3	0	0	108.7	M179 V180 I181	M179-M190 HydrophobicContact CB-CG 4.09Å; M179-M190 HydrophobicContact CB-SD 4.27Å; M179-M190 HydrophobicContact CE-CE 4.08Å; M179-M190 HydrophobicContact CE-CG 3.73Å; M179-M190 HydrophobicContact CE-SD 4.14Å; M179-M190 HydrophobicContact CG-SD 4.38Å; V180-M190 WeakPolarHBondContact O-CA 3.39Å; I181-M190 HydrophobicContact CG1-CB 4.36Å; I181-M190 HydrophobicContact CG1-CG 4.09Å
191	N	96.4	Very high	93.6	Very high	35 Å²	35	72.9 Å²	72.9	19%	0.187	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	150.7	-179.5	-72.1	97.5	0	0	0	110.4	M179 V180 H182 V189 Q195 V196	M179-N191 WeakPolarHBondContact CA-O 3.35Å; V180-N191 PolarHBondContact N-O 3.08Å; V180-N191 PolarHBondContact O-N 3.38Å; H182-N191 PolarHBondContact CD2-OD1 3.1Å; H182-N191 PolarHBondContact NE2-OD1 3.46Å; V189-N191 WeakPolarHBondContact CG1-OD1 3.29Å; N191-Q195 HydrophobicContact CB-CB 4.43Å; N191-Q195 PolarHBondContact ND2-OE1 3.28Å; N191-V196 HydrophobicContact CB-CG1 3.66Å; N191-V196 HydrophobicContact CB-CG2 4.35Å
192	E	95.7	Very high	93.5	Very high	99 Å²	99	71.3 Å²	71.3	46%	0.463	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141.9	165.8	-64.3	-177.5	150.5	0	0	109.3	M179 I194 Q195	M179-E192 HydrophobicContact CE-CG 4.05Å; M179-E192 HydrophobicContact SD-CB 4.47Å; M179-E192 HydrophobicContact SD-CG 3.94Å; E192-I194 PolarHBondContact O-N 3.33Å; E192-Q195 HydrophobicContact CB-CG 4.32Å; E192-Q195 WeakPolarHBondContact O-CB 3.5Å; E192-Q195 PolarHBondContact O-N 3.05Å
193	C	96.6	Very high	93.5	Very high	1 Å²	1	72 Å²	72	1%	0.007	36%	0.363	C	S	.	.	H	α-helix	trans	-53.1	-34.3	-175.6	-68.3	0	0	0	0	114.7	C178 Q195 V196 G197 Y213	C178-C193 VanDerWaalsContact CA-SG 3.59Å; C178-C193 HydrophobicContact CB-CB 3.73Å; C178-C193 WeakPolarHBondContact CB-SG 3.22Å; C178-C193 PolarHBondContact O-N 2.86Å; C178-C193 PolarHBondContact O-SG 3.39Å; C178-C193 WeakPolarHBondContact SG-CB 3.03Å; C178-C193 CovalentContact SG-SG 2.02Å; C178-C193 PolarHBondContact SG-SG 2.78Å; C193-Q195 PolarHBondContact O-N 3.34Å; C193-Q195 VanDerWaalsContact O-N 3.13Å; C193-V196 PolarHBondContact O-N 3.29Å; C193-G197 PolarHBondContact O-N 2.88Å; C193-Y213 WeakPolarHBondContact CA-OH 3.34Å; C193-Y213 HydrophobicContact CB-CD2 4.46Å; C193-Y213 HydrophobicContact CB-CE2 3.62Å; C193-Y213 WeakPolarHBondContact CB-OH 3.28Å; C193-Y213 PolarHBondContact O-OH 2.98Å
194	I	94.7	Very high	93.7	Very high	141 Å²	141	71.6 Å²	71.6	72%	0.723	36%	0.359	S	S	*	.	H	α-helix	trans	-61.1	-22.4	179.5	-58.9	172.6	0	0	0	112	E192	E192-I194 PolarHBondContact O-N 3.33Å
195	Q	95.7	Very high	94	Very high	101 Å²	101	66.3 Å²	66.3	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-86	-28.2	-177.6	-55.6	171.2	7.1	0	0	112.9	N191 E192 C193	N191-Q195 HydrophobicContact CB-CB 4.43Å; N191-Q195 PolarHBondContact ND2-OE1 3.28Å; E192-Q195 HydrophobicContact CB-CG 4.32Å; E192-Q195 WeakPolarHBondContact O-CB 3.5Å; E192-Q195 PolarHBondContact O-N 3.05Å; C193-Q195 PolarHBondContact O-N 3.34Å; C193-Q195 VanDerWaalsContact O-N 3.13Å
196	V	96.5	Very high	94.4	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-124.4	-2.6	-169.1	-59.8	0	0	0	0	114.4	V180 N191 C193 H216 Y219	V180-V196 HydrophobicContact CB-CG2 3.69Å; V180-V196 HydrophobicContact CG1-CG2 4.05Å; V180-V196 HydrophobicContact CG2-CG2 3.78Å; N191-V196 HydrophobicContact CB-CG1 3.66Å; N191-V196 HydrophobicContact CB-CG2 4.35Å; C193-V196 PolarHBondContact O-N 3.29Å; V196-H216 PolarHBondContact O-N 2.9Å; V196-H216 PolarHBondContact O-ND1 3.42Å; V196-Y219 HydrophobicContact CB-CD2 3.69Å; V196-Y219 HydrophobicContact CB-CE2 3.89Å; V196-Y219 HydrophobicContact CB-CG 4.05Å; V196-Y219 HydrophobicContact CG1-CD1 4.24Å; V196-Y219 HydrophobicContact CG1-CD2 4.02Å; V196-Y219 HydrophobicContact CG1-CE1 4.04Å; V196-Y219 HydrophobicContact CG1-CE2 3.81Å; V196-Y219 HydrophobicContact CG1-CG 4.24Å
197	G	96.6	Very high	94.9	Very high	4 Å²	4	59 Å²	59	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-173.5	174.3	0	0	0	0	0	112.3	C193 Y213 D214 H216	C193-G197 PolarHBondContact O-N 2.88Å; G197-Y213 PolarHBondContact N-OH 2.64Å; G197-D214 CarbonylContact C-O 3.56Å; G197-D214 WeakPolarHBondContact CA-O 3.31Å; G197-H216 VanDerWaalsContact C-CE1 3.41Å; G197-H216 PolarHBondContact N-ND1 3.35Å; G197-H216 PolarHBondContact O-CE1 3.45Å
198	R	96.6	Very high	95.2	Very high	90 Å²	90	51.8 Å²	51.8	34%	0.34	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.3	178.6	65.4	172.1	-169.8	-154.1	-8	110.6	Y213 D214 E264	R198-Y213 WeakPolarHBondContact O-CA 3.38Å; R198-Y213 VanDerWaalsContact O-CD2 3.25Å; R198-Y213 WeakPolarHBondContact O-CD2 3.34Å; R198-D214 HydrophobicContact CG-CB 3.86Å; R198-D214 IonicContact CZ-OD2 2.68Å; R198-D214 VanDerWaalsContact CZ-OD2 3.29Å; R198-D214 PolarHBondContact N-O 2.95Å; R198-D214 IonicContact NE-OD2 2.88Å; R198-D214 PolarHBondContact NE-OD2 2.98Å; R198-D214 IonicContact NH2-OD2 2.64Å; R198-D214 PolarHBondContact NH2-OD2 3.15Å; R198-D214 PolarHBondContact O-N 2.65Å; R198-E264 IonicContact CZ-OE2 2.95Å; R198-E264 IonicContact NH1-OE2 2.88Å; R198-E264 VanDerWaalsContact NH2-CD 3.29Å; R198-E264 IonicContact NH2-OE2 3.95Å; R198-E264 PolarHBondContact NH2-OE2 2.95Å
199	W	96.8	Very high	95.4	Very high	54 Å²	54	43.4 Å²	43.4	21%	0.205	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.3	167.1	-72.5	94.4	0	0	0	110.2	L171 V175 T212 Y213 L228	L171-W199 HydrophobicContact CD1-CD2 3.7Å; L171-W199 HydrophobicContact CD1-CE3 3.77Å; L171-W199 HydrophobicContact CD1-CG 4.14Å; L171-W199 HydrophobicContact CD1-CH2 4.34Å; L171-W199 HydrophobicContact CD1-CZ2 4.3Å; L171-W199 HydrophobicContact CD1-CZ3 4.09Å; L171-W199 HydrophobicContact CD2-CB 3.57Å; L171-W199 HydrophobicContact CD2-CD2 4.05Å; L171-W199 HydrophobicContact CD2-CG 3.56Å; L171-W199 HydrophobicContact CG-CG 4.49Å; V175-W199 HydrophobicContact CG1-CZ2 4.08Å; V175-W199 HydrophobicContact CG2-CH2 3.94Å; V175-W199 HydrophobicContact CG2-CZ2 4.12Å; W199-T212 CarbonylContact C-O 3.58Å; W199-T212 WeakPolarHBondContact CA-O 3.15Å; W199-Y213 AromaticContact CD1-CD2 3.85Å; W199-Y213 AromaticContact CD2-CD2 3.89Å; W199-Y213 HydrophobicContact CD2-CD2 3.89Å; W199-Y213 HydrophobicContact CD2-CG 4.34Å; W199-Y213 AromaticContact CE2-CD2 3.66Å; W199-Y213 HydrophobicContact CG-CD2 4.04Å; W199-Y213 HydrophobicContact CZ2-CD2 4.2Å; W199-Y213 HydrophobicContact CZ2-CG 4.23Å; W199-Y213 AromaticContact NE1-CD2 3.59Å; W199-L228 HydrophobicContact CH2-CD2 4.33Å; W199-L228 HydrophobicContact CZ2-CD2 4.15Å
200	R	95.1	Very high	95.5	Very high	22 Å²	22	41.5 Å²	41.5	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140	170.1	168.1	-179	-88.7	152.9	-8.4	108.5	Y211 T212 D214 E315 V316	R200-Y211 CarbonylContact O-C 3.56Å; R200-Y211 WeakPolarHBondContact O-CA 3.4Å; R200-T212 PolarHBondContact N-O 2.93Å; R200-T212 PolarHBondContact O-N 3.28Å; R200-D214 IonicContact NH1-OD2 2.64Å; R200-E315 IonicContact CZ-OE2 2.94Å; R200-E315 IonicContact NE-OE2 2.74Å; R200-E315 PolarHBondContact NE-OE2 2.69Å; R200-E315 IonicContact NH2-OE2 2.76Å; R200-E315 PolarHBondContact NH2-OE2 2.81Å; R200-V316 PolarHBondContact NH2-O 3.15Å
201	R	95.3	Very high	95.7	Very high	96 Å²	96	36.9 Å²	36.9	36%	0.362	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.4	175.4	-175.6	-166.8	66	79.1	15	109.5	N209 C210 Y211	R201-N209 PolarHBondContact NH1-OD1 2.93Å; R201-C210 WeakPolarHBondContact CA-O 3.09Å; R201-Y211 HydrophobicContact CB-CD1 3.79Å; R201-Y211 HydrophobicContact CB-CE1 3.55Å; R201-Y211 HydrophobicContact CG-CD1 3.93Å; R201-Y211 HydrophobicContact CG-CE1 3.42Å; R201-Y211 VanDerWaalsContact CG-CE1 3.42Å
202	F	94.8	Very high	95.7	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	168.4	169.6	63.9	-81.6	0	0	0	110.9	T96 H204 C210 T212 P267 I269 Y312	T96-F202 HydrophobicContact CG2-CE1 4.02Å; T96-F202 HydrophobicContact CG2-CZ 3.92Å; F202-H204 HydrophobicContact CE2-CB 4.33Å; F202-C210 HydrophobicContact CD1-CB 4.13Å; F202-C210 HydrophobicContact CD2-CB 4.12Å; F202-C210 HydrophobicContact CE1-CB 3.67Å; F202-C210 HydrophobicContact CE2-CB 3.7Å; F202-C210 HydrophobicContact CG-CB 4.34Å; F202-C210 HydrophobicContact CZ-CB 3.46Å; F202-C210 VanDerWaalsContact CZ-CB 3.46Å; F202-C210 PolarHBondContact N-O 3.13Å; F202-C210 PolarHBondContact O-N 3.48Å; F202-T212 WeakPolarHBondContact CE1-OG1 3.34Å; F202-P267 HydrophobicContact CE1-CG 3.96Å; F202-P267 HydrophobicContact CE2-CG 4.37Å; F202-P267 HydrophobicContact CZ-CG 3.51Å; F202-I269 HydrophobicContact CE2-CD1 3.78Å; F202-I269 HydrophobicContact CZ-CD1 3.58Å; F202-Y312 HydrophobicContact CB-CD2 4.32Å; F202-Y312 HydrophobicContact CB-CE2 3.62Å; F202-Y312 HydrophobicContact CD2-CE2 4.4Å; F202-Y312 WeakPolarHBondContact CD2-OH 3.12Å; F202-Y312 HydrophobicContact CG-CE2 4.26Å
203	V	93.8	Very high	95.8	Very high	27 Å²	27	30.7 Å²	30.7	16%	0.164	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.3	176.3	178.1	0	0	0	0	109.2	L208 Y312 I342	V203-L208 CarbonylContact C-O 3.49Å; V203-L208 VanDerWaalsContact CA-O 3.29Å; V203-L208 WeakPolarHBondContact CA-O 3.31Å; V203-L208 HydrophobicContact CG1-CD1 4.11Å; V203-Y312 PolarHBondContact O-OH 2.9Å; V203-I342 HydrophobicContact CG1-CD1 4.1Å; V203-I342 HydrophobicContact CG1-CG1 4.37Å
204	H	95.4	Very high	95.9	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.028	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.4	174.9	-174.7	-98.7	0	0	0	110.8	F202 Q206 Y207 L208 C210 N270	F202-H204 HydrophobicContact CE2-CB 4.33Å; H204-Q206 PolarHBondContact ND1-N 3.16Å; H204-Q206 PolarHBondContact O-N 3.12Å; H204-Q206 VanDerWaalsContact O-N 3.08Å; H204-Y207 AromaticContact CE1-CD2 3.54Å; H204-Y207 AromaticContact CE1-CE2 3.68Å; H204-Y207 AromaticContact ND1-CD2 3.15Å; H204-Y207 WeakPolarHBondContact ND1-CD2 3.15Å; H204-Y207 AromaticContact ND1-CE2 3.79Å; H204-Y207 AromaticContact ND1-CG 3.87Å; H204-Y207 PolarHBondContact O-N 2.68Å; H204-L208 PolarHBondContact N-O 2.86Å; H204-L208 WeakPolarHBondContact O-CA 3.45Å; H204-L208 PolarHBondContact O-N 2.88Å; H204-C210 HydrophobicContact CB-CB 4.5Å; H204-C210 WeakPolarHBondContact CB-SG 3.39Å; H204-N270 PolarHBondContact CE1-OD1 3.06Å; H204-N270 VanDerWaalsContact CE1-OD1 3.28Å; H204-N270 PolarHBondContact NE2-ND2 2.68Å; H204-N270 PolarHBondContact NE2-OD1 2.68Å
205	A	93.7	Very high	96	Very high	17 Å²	17	24 Å²	24	14%	0.14	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-37.2	-175.4	0	0	0	0	0	115.3	M152 G153 I342 E343	M152-A205 CarbonylContact C-O 3.59Å; G153-A205 WeakPolarHBondContact CA-O 3.06Å; G153-A205 PolarHBondContact N-O 2.88Å; A205-I342 HydrophobicContact CB-CG2 3.72Å; A205-E343 HydrophobicContact CB-CB 4.4Å
206	Q	92.7	Very high	96	Very high	38 Å²	38	22.9 Å²	22.9	18%	0.178	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-32.1	-177.3	-162.6	-168.2	-35.9	0	0	113.7	H204	H204-Q206 PolarHBondContact ND1-N 3.16Å; H204-Q206 PolarHBondContact O-N 3.12Å; H204-Q206 VanDerWaalsContact O-N 3.08Å
207	Y	94.6	Very high	95.9	Very high	12 Å²	12	30.1 Å²	30.1	5%	0.047	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	2.2	-166.6	-54	-57.6	0	0	0	113.7	C98 N99 L100 H204 N209 V257 I269	C98-Y207 HydrophobicContact CB-CD2 4.23Å; C98-Y207 HydrophobicContact CB-CG 4.05Å; N99-Y207 WeakPolarHBondContact O-CD1 3.29Å; L100-Y207 HydrophobicContact CD2-CE1 3.76Å; H204-Y207 AromaticContact CE1-CD2 3.54Å; H204-Y207 AromaticContact CE1-CE2 3.68Å; H204-Y207 AromaticContact ND1-CD2 3.15Å; H204-Y207 WeakPolarHBondContact ND1-CD2 3.15Å; H204-Y207 AromaticContact ND1-CE2 3.79Å; H204-Y207 AromaticContact ND1-CG 3.87Å; H204-Y207 PolarHBondContact O-N 2.68Å; Y207-N209 PolarHBondContact O-N 3.08Å; Y207-N209 VanDerWaalsContact O-N 3.11Å; Y207-V257 HydrophobicContact CD1-CG1 4.5Å; Y207-V257 HydrophobicContact CD2-CG1 3.99Å; Y207-V257 HydrophobicContact CE1-CG1 4.33Å; Y207-V257 HydrophobicContact CE2-CG1 3.85Å; Y207-V257 HydrophobicContact CG-CG1 4.35Å; Y207-I269 HydrophobicContact CD2-CG2 4.04Å; Y207-I269 HydrophobicContact CE2-CG2 3.72Å
208	L	95.4	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.8	-106.6	-177.5	-174.9	45.2	0	0	0	112.9	P102 L103 L156 V164 L167 G168 V203 H204 C210	P102-L208 HydrophobicContact CB-CB 3.89Å; L103-L208 HydrophobicContact CD2-CD2 4.34Å; L156-L208 HydrophobicContact CD1-CB 4.29Å; L156-L208 HydrophobicContact CD1-CD1 4.08Å; L156-L208 HydrophobicContact CD2-CD1 4.03Å; L156-L208 HydrophobicContact CD2-CD2 4.08Å; V164-L208 HydrophobicContact CG1-CD1 3.64Å; L167-L208 HydrophobicContact CB-CD2 3.93Å; G168-L208 VanDerWaalsContact N-CD2 3.29Å; V203-L208 CarbonylContact C-O 3.49Å; V203-L208 VanDerWaalsContact CA-O 3.29Å; V203-L208 WeakPolarHBondContact CA-O 3.31Å; V203-L208 HydrophobicContact CG1-CD1 4.11Å; H204-L208 PolarHBondContact N-O 2.86Å; H204-L208 WeakPolarHBondContact O-CA 3.45Å; H204-L208 PolarHBondContact O-N 2.88Å; L208-C210 PolarHBondContact O-N 3.04Å
209	N	96.6	Very high	95.7	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	102.9	-176.9	-80.6	-27.1	0	0	0	111	P165 G168 H169 R201 Y207 Y211	P165-N209 PolarHBondContact O-ND2 3.24Å; G168-N209 PolarHBondContact O-ND2 2.72Å; H169-N209 WeakPolarHBondContact O-CB 3.08Å; H169-N209 PolarHBondContact O-ND2 2.86Å; R201-N209 PolarHBondContact NH1-OD1 2.93Å; Y207-N209 PolarHBondContact O-N 3.08Å; Y207-N209 VanDerWaalsContact O-N 3.11Å; N209-Y211 HydrophobicContact CB-CE2 3.99Å
210	C	97.8	Very high	95.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	150.1	169.4	-74	0	0	0	0	111.2	C98 R201 F202 H204 L208 I269	C98-C210 HydrophobicContact CB-CB 4.14Å; C98-C210 WeakPolarHBondContact CB-SG 3.41Å; C98-C210 WeakPolarHBondContact SG-CB 3.29Å; C98-C210 CovalentContact SG-SG 2.04Å; C98-C210 PolarHBondContact SG-SG 3.32Å; R201-C210 WeakPolarHBondContact CA-O 3.09Å; F202-C210 HydrophobicContact CD1-CB 4.13Å; F202-C210 HydrophobicContact CD2-CB 4.12Å; F202-C210 HydrophobicContact CE1-CB 3.67Å; F202-C210 HydrophobicContact CE2-CB 3.7Å; F202-C210 HydrophobicContact CG-CB 4.34Å; F202-C210 HydrophobicContact CZ-CB 3.46Å; F202-C210 VanDerWaalsContact CZ-CB 3.46Å; F202-C210 PolarHBondContact N-O 3.13Å; F202-C210 PolarHBondContact O-N 3.48Å; H204-C210 HydrophobicContact CB-CB 4.5Å; H204-C210 WeakPolarHBondContact CB-SG 3.39Å; L208-C210 PolarHBondContact O-N 3.04Å; C210-I269 HydrophobicContact CB-CD1 4.39Å
211	Y	98	Very high	95.5	Very high	16 Å²	16	36.3 Å²	36.3	6%	0.063	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118.5	-175.8	-67.8	-78.4	0	0	0	111.8	T96 L97 H169 N170 L171 R200 R201 N209	T96-Y211 CarbonylContact C-O 3.56Å; T96-Y211 WeakPolarHBondContact CA-O 3.49Å; L97-Y211 PolarHBondContact N-O 3.47Å; L97-Y211 PolarHBondContact O-N 3.01Å; H169-Y211 PolarHBondContact O-OH 3.39Å; H169-Y211 VanDerWaalsContact O-OH 3.13Å; N170-Y211 WeakPolarHBondContact CA-OH 3.33Å; L171-Y211 HydrophobicContact CB-CD1 3.99Å; L171-Y211 HydrophobicContact CB-CE1 3.61Å; L171-Y211 HydrophobicContact CB-CE2 4.34Å; L171-Y211 HydrophobicContact CB-CG 4.49Å; L171-Y211 HydrophobicContact CD1-CD1 4.04Å; L171-Y211 HydrophobicContact CD1-CG 4.04Å; L171-Y211 HydrophobicContact CD2-CD1 4.46Å; L171-Y211 HydrophobicContact CG-CD1 4.39Å; L171-Y211 HydrophobicContact CG-CE1 4.47Å; L171-Y211 PolarHBondContact N-OH 2.98Å; L171-Y211 VanDerWaalsContact N-OH 3.17Å; R200-Y211 CarbonylContact O-C 3.56Å; R200-Y211 WeakPolarHBondContact O-CA 3.4Å; R201-Y211 HydrophobicContact CB-CD1 3.79Å; R201-Y211 HydrophobicContact CB-CE1 3.55Å; R201-Y211 HydrophobicContact CG-CD1 3.93Å; R201-Y211 HydrophobicContact CG-CE1 3.42Å; R201-Y211 VanDerWaalsContact CG-CE1 3.42Å; N209-Y211 HydrophobicContact CB-CE2 3.99Å
212	T	97.9	Very high	95.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.1	171.4	-53.7	0	0	0	0	109.8	L95 T96 W199 R200 F202	L95-T212 WeakPolarHBondContact O-CA 3.37Å; T96-T212 WeakPolarHBondContact OG1-CB 3.36Å; T96-T212 PolarHBondContact OG1-OG1 3.29Å; W199-T212 CarbonylContact C-O 3.58Å; W199-T212 WeakPolarHBondContact CA-O 3.15Å; R200-T212 PolarHBondContact N-O 2.93Å; R200-T212 PolarHBondContact O-N 3.28Å; F202-T212 WeakPolarHBondContact CE1-OG1 3.34Å
213	Y	98.1	Very high	95.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.4	168.4	-178.5	-111.8	0	0	0	110.6	S94 L95 V180 C193 G197 R198 W199 I215 I226	S94-Y213 WeakPolarHBondContact CA-O 3.3Å; S94-Y213 WeakPolarHBondContact CB-O 3.46Å; S94-Y213 PolarHBondContact OG-O 3.31Å; L95-Y213 PolarHBondContact N-O 3.49Å; L95-Y213 PolarHBondContact O-N 2.82Å; V180-Y213 HydrophobicContact CG2-CE1 3.96Å; V180-Y213 WeakPolarHBondContact CG2-OH 3.5Å; C193-Y213 WeakPolarHBondContact CA-OH 3.34Å; C193-Y213 HydrophobicContact CB-CD2 4.46Å; C193-Y213 HydrophobicContact CB-CE2 3.62Å; C193-Y213 WeakPolarHBondContact CB-OH 3.28Å; C193-Y213 PolarHBondContact O-OH 2.98Å; G197-Y213 PolarHBondContact N-OH 2.64Å; R198-Y213 WeakPolarHBondContact O-CA 3.38Å; R198-Y213 VanDerWaalsContact O-CD2 3.25Å; R198-Y213 WeakPolarHBondContact O-CD2 3.34Å; W199-Y213 AromaticContact CD1-CD2 3.85Å; W199-Y213 AromaticContact CD2-CD2 3.89Å; W199-Y213 HydrophobicContact CD2-CD2 3.89Å; W199-Y213 HydrophobicContact CD2-CG 4.34Å; W199-Y213 AromaticContact CE2-CD2 3.66Å; W199-Y213 HydrophobicContact CG-CD2 4.04Å; W199-Y213 HydrophobicContact CZ2-CD2 4.2Å; W199-Y213 HydrophobicContact CZ2-CG 4.23Å; W199-Y213 AromaticContact NE1-CD2 3.59Å; Y213-I215 HydrophobicContact CD1-CG1 4.28Å; Y213-I215 HydrophobicContact CE1-CD1 4.32Å; Y213-I215 HydrophobicContact CE1-CG1 3.7Å; Y213-I226 HydrophobicContact CD1-CD1 3.82Å; Y213-I226 HydrophobicContact CE1-CD1 3.97Å
214	D	97	Very high	95.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124	174.8	-67.2	-34.5	0	0	0	109.7	S94 G197 R198 R200 E264	S94-D214 WeakPolarHBondContact CB-OD1 3.28Å; S94-D214 PolarHBondContact OG-OD1 3.1Å; G197-D214 CarbonylContact C-O 3.56Å; G197-D214 WeakPolarHBondContact CA-O 3.31Å; R198-D214 HydrophobicContact CG-CB 3.86Å; R198-D214 IonicContact CZ-OD2 2.68Å; R198-D214 VanDerWaalsContact CZ-OD2 3.29Å; R198-D214 PolarHBondContact N-O 2.95Å; R198-D214 IonicContact NE-OD2 2.88Å; R198-D214 PolarHBondContact NE-OD2 2.98Å; R198-D214 IonicContact NH2-OD2 2.64Å; R198-D214 PolarHBondContact NH2-OD2 3.15Å; R198-D214 PolarHBondContact O-N 2.65Å; R200-D214 IonicContact NH1-OD2 2.64Å; D214-E264 HydrophobicContact CB-CG 4.34Å; D214-E264 WeakPolarHBondContact OD1-CA 3.46Å; D214-E264 PolarHBondContact OD1-N 3.08Å
215	I	97.3	Very high	95.7	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	140.4	171	-57	-167.3	0	0	0	109.5	F92 V180 Y213 R220 V223 I226	F92-I215 HydrophobicContact CB-CD1 4.31Å; F92-I215 HydrophobicContact CD1-CD1 3.66Å; F92-I215 HydrophobicContact CE1-CD1 4.34Å; F92-I215 HydrophobicContact CG-CD1 4.2Å; V180-I215 HydrophobicContact CG1-CD1 4.42Å; Y213-I215 HydrophobicContact CD1-CG1 4.28Å; Y213-I215 HydrophobicContact CE1-CD1 4.32Å; Y213-I215 HydrophobicContact CE1-CG1 3.7Å; I215-R220 HydrophobicContact CB-CG 4.2Å; I215-R220 HydrophobicContact CG2-CG 4.19Å; I215-R220 VanDerWaalsContact O-CZ 3.22Å; I215-R220 PolarHBondContact O-NE 2.81Å; I215-R220 PolarHBondContact O-NH2 2.05Å; I215-V223 HydrophobicContact CD1-CB 4.11Å; I215-V223 HydrophobicContact CD1-CG1 3.81Å; I215-V223 HydrophobicContact CD1-CG2 3.83Å; I215-V223 HydrophobicContact CG2-CG2 4.14Å; I215-I226 HydrophobicContact CD1-CD1 4.04Å; I215-I226 HydrophobicContact CD1-CG1 4.27Å
216	H	96.5	Very high	95.9	Very high	77 Å²	77	37.4 Å²	37.4	36%	0.356	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-67.4	143.4	175.1	-62.7	135	0	0	0	111.6	V196 G197 I218 Y219 R220	V196-H216 PolarHBondContact O-N 2.9Å; V196-H216 PolarHBondContact O-ND1 3.42Å; G197-H216 VanDerWaalsContact C-CE1 3.41Å; G197-H216 PolarHBondContact N-ND1 3.35Å; G197-H216 PolarHBondContact O-CE1 3.45Å; H216-I218 VanDerWaalsContact C-N 3.26Å; H216-I218 PolarHBondContact O-N 2.95Å; H216-I218 VanDerWaalsContact O-N 3.08Å; H216-Y219 HydrophobicContact CB-CD2 4.21Å; H216-Y219 PolarHBondContact O-N 2.72Å; H216-R220 PolarHBondContact O-N 2.87Å
217	E	94.8	Very high	96.1	Very high	152 Å²	152	37.6 Å²	37.6	71%	0.71	17%	0.174	S	C	*	.	H	α-helix	trans	-50.3	-41.7	-168.6	-172.1	172.1	-171.3	0	0	114.3	Y219 R220	E217-Y219 PolarHBondContact O-N 2.75Å; E217-R220 PolarHBondContact O-N 2.84Å
218	I	93.5	Very high	96.2	Very high	137 Å²	137	37.1 Å²	37.1	70%	0.703	17%	0.172	S	C	*	.	H	α-helix	trans	-52.6	-40.5	178.2	-56.6	171.1	0	0	0	112.1	H216	H216-I218 VanDerWaalsContact C-N 3.26Å; H216-I218 PolarHBondContact O-N 2.95Å; H216-I218 VanDerWaalsContact O-N 3.08Å
219	Y	94.7	Very high	96.1	Very high	71 Å²	71	38.2 Å²	38.2	28%	0.278	18%	0.177	S	C	.	.	H	α-helix	trans	-90.7	-23.8	-176.4	-57.1	-73.7	0	0	0	113.2	V196 H216 E217 N221 H222 V223	V196-Y219 HydrophobicContact CB-CD2 3.69Å; V196-Y219 HydrophobicContact CB-CE2 3.89Å; V196-Y219 HydrophobicContact CB-CG 4.05Å; V196-Y219 HydrophobicContact CG1-CD1 4.24Å; V196-Y219 HydrophobicContact CG1-CD2 4.02Å; V196-Y219 HydrophobicContact CG1-CE1 4.04Å; V196-Y219 HydrophobicContact CG1-CE2 3.81Å; V196-Y219 HydrophobicContact CG1-CG 4.24Å; H216-Y219 HydrophobicContact CB-CD2 4.21Å; H216-Y219 PolarHBondContact O-N 2.72Å; E217-Y219 PolarHBondContact O-N 2.75Å; Y219-N221 PolarHBondContact O-N 2.8Å; Y219-H222 PolarHBondContact O-N 2.91Å; Y219-V223 WeakPolarHBondContact O-CG2 3.41Å; Y219-V223 PolarHBondContact O-N 3.45Å
220	R	94	Very high	96.1	Very high	31 Å²	31	37.9 Å²	37.9	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-48.2	-43.1	-173.4	-72.5	-179.5	-169.9	153.8	9	112.9	P91 F92 I215 H216 E217 H222 E264	P91-R220 HydrophobicContact CB-CB 4.19Å; F92-R220 WeakPolarHBondContact CB-O 3.11Å; F92-R220 PolarHBondContact N-O 3.33Å; I215-R220 HydrophobicContact CB-CG 4.2Å; I215-R220 HydrophobicContact CG2-CG 4.19Å; I215-R220 VanDerWaalsContact O-CZ 3.22Å; I215-R220 PolarHBondContact O-NE 2.81Å; I215-R220 PolarHBondContact O-NH2 2.05Å; H216-R220 PolarHBondContact O-N 2.87Å; E217-R220 PolarHBondContact O-N 2.84Å; R220-H222 VanDerWaalsContact C-N 3.25Å; R220-H222 PolarHBondContact O-N 3.41Å; R220-E264 IonicContact CZ-OE1 2.61Å; R220-E264 IonicContact NH1-OE1 3.54Å; R220-E264 PolarHBondContact NH1-OE1 2.87Å; R220-E264 IonicContact NH2-OE1 2.77Å; R220-E264 PolarHBondContact NH2-OE1 2.91Å
221	N	94.2	Very high	96	Very high	61 Å²	61	38.1 Å²	38.1	33%	0.326	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.3	-176.6	-72.6	-22.6	0	0	0	113.9	P89 S90 Y219 R521 F524	P89-N221 HydrophobicContact CB-CB 4.46Å; S90-N221 VanDerWaalsContact C-OD1 3.29Å; S90-N221 WeakPolarHBondContact O-CA 3.44Å; S90-N221 PolarHBondContact O-OD1 3.43Å; Y219-N221 PolarHBondContact O-N 2.8Å; N221-R521 PolarHBondContact O-NH2 2.81Å; N221-F524 WeakPolarHBondContact O-CE1 3.37Å
222	H	93.1	Very high	95.8	Very high	88 Å²	88	37.6 Å²	37.6	41%	0.407	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-8.3	-167.9	-57.2	112.4	0	0	0	115.4	A183 Y219 R220	A183-H222 PolarHBondContact N-O 2.97Å; Y219-H222 PolarHBondContact O-N 2.91Å; R220-H222 VanDerWaalsContact C-N 3.25Å; R220-H222 PolarHBondContact O-N 3.41Å
223	V	96.2	Very high	95.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	138.3	179.3	171.9	0	0	0	0	111.7	F92 V180 H182 I215 Y219 R521	F92-V223 HydrophobicContact CB-CB 4.13Å; F92-V223 HydrophobicContact CB-CG1 4.49Å; F92-V223 HydrophobicContact CD1-CG1 4.04Å; F92-V223 HydrophobicContact CD2-CB 3.88Å; F92-V223 HydrophobicContact CD2-CG1 3.67Å; F92-V223 WeakPolarHBondContact CD2-O 3.13Å; F92-V223 HydrophobicContact CE1-CG1 4.16Å; F92-V223 HydrophobicContact CE2-CB 4.45Å; F92-V223 HydrophobicContact CE2-CG1 3.78Å; F92-V223 HydrophobicContact CG-CB 3.95Å; F92-V223 HydrophobicContact CG-CG1 3.8Å; F92-V223 HydrophobicContact CZ-CG1 4.03Å; V180-V223 HydrophobicContact CG1-CB 4.33Å; V180-V223 HydrophobicContact CG1-CG1 3.66Å; V180-V223 HydrophobicContact CG1-CG2 3.64Å; H182-V223 HydrophobicContact CB-CG2 3.9Å; I215-V223 HydrophobicContact CD1-CB 4.11Å; I215-V223 HydrophobicContact CD1-CG1 3.81Å; I215-V223 HydrophobicContact CD1-CG2 3.83Å; I215-V223 HydrophobicContact CG2-CG2 4.14Å; Y219-V223 WeakPolarHBondContact O-CG2 3.41Å; Y219-V223 PolarHBondContact O-N 3.45Å; V223-R521 PolarHBondContact O-NE 2.96Å; V223-R521 VanDerWaalsContact O-NE 3.07Å; V223-R521 PolarHBondContact O-NH2 2.92Å
224	R	95.7	Very high	94.8	Very high	68 Å²	68	40.8 Å²	40.8	26%	0.257	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-41.5	175.1	-107.7	-174.6	166.5	103.7	0.6	112.7	I181 R521 F524	I181-R224 PolarHBondContact O-N 2.96Å; R224-R521 PolarHBondContact O-N 3.1Å; R224-F524 HydrophobicContact CG-CE2 3.9Å; R224-F524 HydrophobicContact CG-CZ 4.36Å
225	T	97.4	Very high	93.9	Very high	18 Å²	18	43 Å²	43	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.1	-174.9	-53.4	0	0	0	0	111.2	V180 I181 M518 L519 I520	V180-T225 WeakPolarHBondContact CA-O 3.32Å; I181-T225 PolarHBondContact N-O 2.92Å; I181-T225 PolarHBondContact O-N 2.77Å; I181-T225 VanDerWaalsContact O-N 3.16Å; T225-M518 HydrophobicContact CG2-CE 4.28Å; T225-L519 CarbonylContact C-O 3.5Å; T225-L519 VanDerWaalsContact CA-O 3.27Å; T225-L519 WeakPolarHBondContact CA-O 3.25Å; T225-I520 HydrophobicContact CG2-CG1 4.02Å
226	I	97.9	Very high	92.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.7	155.1	-48.6	176.3	0	0	0	107.2	F92 M179 V180 Y213 I215 L228 M518 L519	F92-I226 HydrophobicContact CD1-CD1 4.24Å; F92-I226 HydrophobicContact CD1-CG1 4.48Å; F92-I226 HydrophobicContact CE1-CD1 3.65Å; F92-I226 HydrophobicContact CE1-CG1 3.69Å; F92-I226 HydrophobicContact CZ-CG1 4.22Å; M179-I226 WeakPolarHBondContact O-CA 3.35Å; V180-I226 HydrophobicContact CG2-CG1 4.41Å; V180-I226 HydrophobicContact CG2-CG2 4.42Å; Y213-I226 HydrophobicContact CD1-CD1 3.82Å; Y213-I226 HydrophobicContact CE1-CD1 3.97Å; I215-I226 HydrophobicContact CD1-CD1 4.04Å; I215-I226 HydrophobicContact CD1-CG1 4.27Å; I226-L228 HydrophobicContact CG2-CD2 4.06Å; I226-L228 HydrophobicContact CG2-CG 4.24Å; I226-M518 CarbonylContact O-C 3.48Å; I226-M518 WeakPolarHBondContact O-CA 3.35Å; I226-L519 HydrophobicContact CB-CB 4.31Å; I226-L519 HydrophobicContact CD1-CD2 4.24Å; I226-L519 PolarHBondContact N-O 3.44Å; I226-L519 PolarHBondContact O-N 3.12Å
227	E	97	Very high	91.1	Very high	42 Å²	42	48 Å²	48	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.5	174.6	178.9	172.8	-162.9	0	0	109	C178 M179 F229	C178-E227 WeakPolarHBondContact CA-O 3.07Å; M179-E227 PolarHBondContact N-O 2.04Å; M179-E227 PolarHBondContact O-N 2.93Å; E227-F229 HydrophobicContact CG-CE1 4.12Å; E227-F229 HydrophobicContact CG-CZ 4.42Å; E227-F229 WeakPolarHBondContact OE1-CZ 3.28Å
228	L	96.3	Very high	89.9	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.4	177.3	-57.3	178.8	0	0	0	109.8	L95 V175 H177 C178 W199 I226 V230 A516 I517	L95-L228 HydrophobicContact CD2-CD1 3.7Å; V175-L228 HydrophobicContact CG1-CD2 4.26Å; H177-L228 WeakPolarHBondContact O-CA 3.38Å; C178-L228 HydrophobicContact CB-CD2 3.94Å; C178-L228 WeakPolarHBondContact SG-CD2 3.34Å; W199-L228 HydrophobicContact CH2-CD2 4.33Å; W199-L228 HydrophobicContact CZ2-CD2 4.15Å; I226-L228 HydrophobicContact CG2-CD2 4.06Å; I226-L228 HydrophobicContact CG2-CG 4.24Å; L228-V230 HydrophobicContact CB-CG2 4.36Å; L228-A516 WeakPolarHBondContact O-CA 3.28Å; L228-I517 HydrophobicContact CB-CB 4.25Å; L228-I517 PolarHBondContact N-O 3.06Å; L228-I517 PolarHBondContact O-N 3.13Å
229	F	95.2	Very high	88.8	Confident	24 Å²	24	46 Å²	46	11%	0.105	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.8	154.6	-51.2	-32.9	0	0	0	108.6	I176 H177 E227 W457 W462 L515 A516	I176-F229 HydrophobicContact CD1-CB 3.91Å; I176-F229 HydrophobicContact CG1-CB 3.86Å; I176-F229 WeakPolarHBondContact CG1-O 3.38Å; I176-F229 PolarHBondContact N-O 3.09Å; H177-F229 HydrophobicContact CB-CB 3.85Å; H177-F229 HydrophobicContact CB-CD2 3.5Å; H177-F229 VanDerWaalsContact CB-CD2 3.5Å; H177-F229 HydrophobicContact CB-CE2 4.27Å; H177-F229 HydrophobicContact CB-CG 3.92Å; H177-F229 AromaticContact CD2-CD2 3.49Å; H177-F229 VanDerWaalsContact CD2-CD2 3.49Å; H177-F229 WeakPolarHBondContact CD2-CD2 3.44Å; H177-F229 AromaticContact CD2-CE2 3.37Å; H177-F229 WeakPolarHBondContact CD2-CE2 3.46Å; H177-F229 AromaticContact CD2-CZ 3.93Å; H177-F229 AromaticContact CG-CD2 3.75Å; H177-F229 PolarHBondContact N-O 2.64Å; H177-F229 PolarHBondContact O-N 2.77Å; E227-F229 HydrophobicContact CG-CE1 4.12Å; E227-F229 HydrophobicContact CG-CZ 4.42Å; E227-F229 WeakPolarHBondContact OE1-CZ 3.28Å; F229-W457 HydrophobicContact CB-CH2 4.29Å; F229-W457 AromaticContact CD1-CH2 3.9Å; F229-W457 HydrophobicContact CD1-CH2 3.9Å; F229-W457 AromaticContact CD1-CZ2 3.93Å; F229-W457 HydrophobicContact CD1-CZ2 3.93Å; F229-W457 HydrophobicContact CE1-CH2 4.48Å; F229-W457 HydrophobicContact CE1-CZ2 4.06Å; F229-W457 HydrophobicContact CG-CH2 4.01Å; F229-W457 HydrophobicContact CG-CZ2 4.22Å; F229-W457 HydrophobicContact CZ-CZ2 4.41Å; F229-W462 HydrophobicContact CE2-CZ2 4.21Å; F229-L515 WeakPolarHBondContact CA-O 3.34Å; F229-A516 HydrophobicContact CD1-CB 3.72Å; F229-A516 HydrophobicContact CE1-CB 4.01Å
230	V	96	Very high	87.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.1	-174.8	176.4	0	0	0	0	109.2	L97 T174 L228 L232 L515 I517	L97-V230 HydrophobicContact CD1-CG2 4.49Å; L97-V230 HydrophobicContact CD2-CG2 3.78Å; T174-V230 HydrophobicContact CG2-CG1 3.89Å; T174-V230 CarbonylContact O-C 3.57Å; T174-V230 VanDerWaalsContact O-CA 3.24Å; T174-V230 WeakPolarHBondContact O-CA 3.32Å; L228-V230 HydrophobicContact CB-CG2 4.36Å; V230-L232 HydrophobicContact CG1-CD2 4Å; V230-L515 HydrophobicContact CB-CB 4.23Å; V230-L515 HydrophobicContact CB-CD2 4.46Å; V230-L515 PolarHBondContact N-O 3.06Å; V230-L515 PolarHBondContact O-N 3.29Å; V230-I517 HydrophobicContact CG2-CD1 3.92Å
231	Y	94.2	Very high	87.3	Confident	5 Å²	5	46.6 Å²	46.6	2%	0.02	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.6	172.1	-174.1	-92.5	0	0	0	109.2	T174 D233 V475 R478 N513 L514	T174-Y231 PolarHBondContact O-N 2.98Å; Y231-D233 HydrophobicContact CD1-CB 4.35Å; Y231-D233 HydrophobicContact CE1-CB 4.23Å; Y231-V475 HydrophobicContact CD1-CG1 4.38Å; Y231-V475 HydrophobicContact CD2-CG1 4.37Å; Y231-V475 HydrophobicContact CE1-CG1 4.02Å; Y231-V475 HydrophobicContact CE2-CB 4.4Å; Y231-V475 HydrophobicContact CE2-CG1 4.01Å; Y231-V475 HydrophobicContact CE2-CG2 4.41Å; Y231-R478 PolarHBondContact OH-NH1 2.95Å; Y231-N513 CarbonylContact C-O 3.54Å; Y231-N513 VanDerWaalsContact CA-O 3.32Å; Y231-N513 WeakPolarHBondContact CA-O 3.43Å; Y231-N513 HydrophobicContact CD2-CB 3.86Å; Y231-N513 HydrophobicContact CE2-CB 3.47Å; Y231-N513 VanDerWaalsContact CE2-CB 3.47Å; Y231-L514 HydrophobicContact CD2-CD2 3.94Å
232	L	94	Very high	86.9	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.026	24%	0.244	C	C	.	.			trans	-87.1	-12.6	-166.8	-63.1	172	0	0	0	114.8	N99 H169 V230 E234 A256 P278 N513	N99-L232 PolarHBondContact ND2-O 3.29Å; H169-L232 PolarHBondContact CE1-O 3.28Å; V230-L232 HydrophobicContact CG1-CD2 4Å; L232-E234 VanDerWaalsContact C-N 3.31Å; L232-E234 PolarHBondContact O-N 3.27Å; L232-A256 HydrophobicContact CD2-CB 4.18Å; L232-P278 HydrophobicContact CD1-CB 3.89Å; L232-P278 HydrophobicContact CD1-CG 3.68Å; L232-N513 PolarHBondContact N-O 3.18Å
233	D	90.5	Very high	86.5	Confident	23 Å²	23	40.5 Å²	40.5	12%	0.123	23%	0.225	C	C	.	.			trans	58.2	36	177.9	-166.8	38.4	0	0	0	114.8	S105 H169 Y231 R478 N513	S105-D233 WeakPolarHBondContact CB-OD1 3.28Å; S105-D233 WeakPolarHBondContact CB-OD2 3.45Å; S105-D233 PolarHBondContact N-OD2 3.15Å; S105-D233 PolarHBondContact OG-OD1 3.49Å; S105-D233 PolarHBondContact OG-OD2 2.99Å; H169-D233 IonicContact ND1-OD2 2.72Å; Y231-D233 HydrophobicContact CD1-CB 4.35Å; Y231-D233 HydrophobicContact CE1-CB 4.23Å; D233-R478 IonicContact OD1-CZ 2.63Å; D233-R478 IonicContact OD1-NH1 3.19Å; D233-R478 PolarHBondContact OD1-NH1 3Å; D233-R478 IonicContact OD1-NH2 3.88Å; D233-R478 PolarHBondContact OD1-NH2 2.9Å; D233-N513 WeakPolarHBondContact CA-OD1 3.24Å; D233-N513 PolarHBondContact N-OD1 3.41Å
234	E	85.5	Confident	86	Confident	48 Å²	48	41.2 Å²	41.2	22%	0.224	23%	0.23	C	C	.	.			trans	-82.6	121.8	176.1	-178.5	167.7	-128.6	0	0	111.2	L232 S254 N513	L232-E234 VanDerWaalsContact C-N 3.31Å; L232-E234 PolarHBondContact O-N 3.27Å; E234-S254 VanDerWaalsContact OE1-CB 3.26Å; E234-S254 WeakPolarHBondContact OE1-CB 3.29Å; E234-S254 PolarHBondContact OE1-OG 2.8Å; E234-N513 PolarHBondContact N-OD1 3.37Å; E234-N513 PolarHBondContact O-ND2 3.45Å; E234-N513 VanDerWaalsContact O-ND2 3.15Å
235	S	77.3	Confident	85.5	Confident	48 Å²	48	38.2 Å²	38.2	34%	0.336	22%	0.219	S	C	.	.			trans	-88	120.7	179	-168.5	0	0	0	0	112.2	N237	S235-N237 VanDerWaalsContact C-N 3.31Å; S235-N237 PolarHBondContact O-N 2.83Å
236	M	69.2	Low	84.5	Confident	69 Å²	69	42.5 Å²	42.5	34%	0.34	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-15.9	178.6	-72.8	-69.4	-74.2	0	0	114.5	I238 N508 V509 R512	M236-I238 PolarHBondContact O-N 3.44Å; M236-N508 WeakPolarHBondContact CE-OD1 3.02Å; M236-V509 HydrophobicContact CG-CG2 4.27Å; M236-R512 WeakPolarHBondContact SD-CD 3.33Å; M236-R512 PolarHBondContact SD-NH1 3.07Å
237	N	67.1	Low	83.5	Confident	115 Å²	115	46.5 Å²	46.5	62%	0.615	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	8	-167.5	-64.5	-10.9	0	0	0	113.7	S235	S235-N237 VanDerWaalsContact C-N 3.31Å; S235-N237 PolarHBondContact O-N 2.83Å
238	I	69	Low	82.7	Confident	93 Å²	93	47.1 Å²	47.1	48%	0.477	28%	0.28	S	S	.	.			trans	-123.2	109.4	-171	-50.6	179.8	0	0	0	109.8	M236 S240	M236-I238 PolarHBondContact O-N 3.44Å; I238-S240 VanDerWaalsContact C-N 3.31Å; I238-S240 VanDerWaalsContact CG2-O 3.22Å; I238-S240 WeakPolarHBondContact CG2-O 3.28Å
239	T	71.4	Confident	82.1	Confident	154 Å²	154	53.4 Å²	53.4	95%	0.945	31%	0.312	S	S	*	.	S	Bend	trans	-77	-16.8	174.9	52.1	0	0	0	0	113.4
240	S	74.6	Confident	81.5	Confident	74 Å²	74	58.3 Å²	58.3	52%	0.517	33%	0.333	S	S	.	.	S	Bend	trans	-100.5	103.2	-179.5	-176.6	0	0	0	0	111.1	I238 S242	I238-S240 VanDerWaalsContact C-N 3.31Å; I238-S240 VanDerWaalsContact CG2-O 3.22Å; I238-S240 WeakPolarHBondContact CG2-O 3.28Å; S240-S242 PolarHBondContact O-N 3.22Å
241	C	82	Confident	81	Confident	40 Å²	40	58.7 Å²	58.7	27%	0.27	34%	0.336	S	S	.	.			trans	-70.6	103.2	173.2	-176.3	0	0	0	0	110.6	R101 R120 D243 C244	R101-C241 PolarHBondContact NH2-SG 3.22Å; R120-C241 WeakPolarHBondContact CD-O 3.35Å; C241-D243 PolarHBondContact O-N 2.88Å; C241-D243 VanDerWaalsContact O-N 3.13Å; C241-C244 HydrophobicContact CB-CB 3.62Å; C241-C244 WeakPolarHBondContact CB-SG 3.49Å; C241-C244 WeakPolarHBondContact SG-CB 3.11Å; C241-C244 PolarHBondContact SG-N 3.44Å; C241-C244 CovalentContact SG-SG 2.03Å; C241-C244 PolarHBondContact SG-SG 2.75Å
242	S	84.5	Confident	80.5	Confident	18 Å²	18	63.8 Å²	63.8	13%	0.126	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.6	-177.7	40.1	0	0	0	0	115.4	P119 R120 S240	P119-S242 VanDerWaalsContact CD-O 3.32Å; P119-S242 WeakPolarHBondContact CD-O 3.35Å; R120-S242 WeakPolarHBondContact CB-O 3.26Å; R120-S242 PolarHBondContact N-O 3.28Å; S240-S242 PolarHBondContact O-N 3.22Å
243	D	85.9	Confident	80.3	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.016	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136	10	-164.3	56.5	-53.2	0	0	0	112.9	R101 L103 P119 M152 C241 F245	R101-D243 IonicContact CZ-OD1 3.84Å; R101-D243 IonicContact CZ-OD2 3.71Å; R101-D243 IonicContact NH1-OD1 2.68Å; R101-D243 IonicContact NH1-OD2 3.68Å; R101-D243 PolarHBondContact NH1-OD2 3.24Å; R101-D243 VanDerWaalsContact NH2-CG 3.28Å; R101-D243 IonicContact NH2-OD1 3.15Å; R101-D243 PolarHBondContact NH2-OD1 3.02Å; R101-D243 IonicContact NH2-OD2 2.82Å; R101-D243 PolarHBondContact NH2-OD2 3.34Å; L103-D243 HydrophobicContact CD1-CB 3.78Å; L103-D243 HydrophobicContact CG-CB 4.07Å; P119-D243 HydrophobicContact CB-CB 4.45Å; P119-D243 HydrophobicContact CG-CB 3.85Å; M152-D243 HydrophobicContact CE-CB 3.92Å; C241-D243 PolarHBondContact O-N 2.88Å; C241-D243 VanDerWaalsContact O-N 3.13Å; D243-F245 WeakPolarHBondContact O-CD2 3.47Å; D243-F245 WeakPolarHBondContact O-CE2 3.44Å
244	C	86.3	Confident	80.3	Confident	14 Å²	14	67.4 Å²	67.4	10%	0.095	38%	0.383	C	S	.	.			trans	-88.6	121.4	170.4	-64.2	0	0	0	0	110.6	R120 C241 S251 Q252	R120-C244 PolarHBondContact NH1-O 3.31Å; C241-C244 HydrophobicContact CB-CB 3.62Å; C241-C244 WeakPolarHBondContact CB-SG 3.49Å; C241-C244 WeakPolarHBondContact SG-CB 3.11Å; C241-C244 PolarHBondContact SG-N 3.44Å; C241-C244 CovalentContact SG-SG 2.03Å; C241-C244 PolarHBondContact SG-SG 2.75Å; C244-S251 WeakPolarHBondContact CA-OG 3.32Å; C244-Q252 HydrophobicContact CB-CG 4.15Å
245	F	84.1	Confident	80.7	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.026	37%	0.372	C	S	.	.			trans	-91.6	138.6	173.8	-58.1	-100	0	0	0	109.5	P119 A123 V150 M152 D243 S247 E248 S251	P119-F245 HydrophobicContact CB-CE2 4.28Å; P119-F245 HydrophobicContact CB-CZ 3.75Å; A123-F245 HydrophobicContact CB-CD1 3.82Å; A123-F245 HydrophobicContact CB-CE1 3.83Å; V150-F245 HydrophobicContact CG1-CD1 4.15Å; V150-F245 HydrophobicContact CG1-CE1 4.48Å; M152-F245 HydrophobicContact CB-CE2 3.99Å; M152-F245 HydrophobicContact CB-CZ 4.34Å; M152-F245 HydrophobicContact CE-CE2 3.86Å; M152-F245 HydrophobicContact CE-CZ 4.27Å; M152-F245 VanDerWaalsContact N-CZ 3.31Å; D243-F245 WeakPolarHBondContact O-CD2 3.47Å; D243-F245 WeakPolarHBondContact O-CE2 3.44Å; F245-S247 VanDerWaalsContact C-N 3.32Å; F245-S247 PolarHBondContact O-N 3.45Å; F245-E248 HydrophobicContact CB-CB 4.19Å; F245-E248 HydrophobicContact CB-CG 4.39Å; F245-E248 PolarHBondContact O-N 2.74Å; F245-S251 PolarHBondContact N-OG 3.14Å; F245-S251 PolarHBondContact O-OG 3.34Å
246	S	76.1	Confident	81.6	Confident	107 Å²	107	63 Å²	63	75%	0.748	36%	0.357	S	S	*	.	S	Bend	trans	-68.1	-30.4	-179.5	42.9	0	0	0	0	113.3
247	S	76.3	Confident	82.9	Confident	85 Å²	85	59.7 Å²	59.7	59%	0.594	34%	0.341	S	S	*	.	S	Bend	trans	-75	-25.1	175.4	44.1	0	0	0	0	113.8	F245	F245-S247 VanDerWaalsContact C-N 3.32Å; F245-S247 PolarHBondContact O-N 3.45Å
248	E	81.3	Confident	84.4	Confident	56 Å²	56	54.3 Å²	54.3	26%	0.262	31%	0.312	S	S	.	.			trans	-113.8	89.7	-172.9	-61.5	-176.4	-179.8	0	0	111.4	S151 F245 K250 S251	S151-E248 VanDerWaalsContact CB-OE1 3.27Å; S151-E248 WeakPolarHBondContact CB-OE1 3.41Å; F245-E248 HydrophobicContact CB-CB 4.19Å; F245-E248 HydrophobicContact CB-CG 4.39Å; F245-E248 PolarHBondContact O-N 2.74Å; E248-K250 PolarHBondContact O-N 3.16Å; E248-K250 VanDerWaalsContact O-N 3.09Å; E248-S251 WeakPolarHBondContact O-CB 3.41Å; E248-S251 PolarHBondContact O-N 2.87Å; E248-S251 PolarHBondContact O-OG 2.97Å
249	I	83.2	Confident	85.8	Confident	134 Å²	134	49.9 Å²	49.9	69%	0.687	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-54.1	-32.2	175.1	-59.8	172.6	0	0	0	111.4	S251 Q252	I249-S251 PolarHBondContact O-N 3.48Å; I249-Q252 WeakPolarHBondContact O-CB 3.35Å; I249-Q252 PolarHBondContact O-N 3.01Å; I249-Q252 VanDerWaalsContact O-N 3.12Å
250	K	83	Confident	87	Confident	126 Å²	126	43.3 Å²	43.3	55%	0.548	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-59	-26.9	174.9	-73.8	-171.6	177	-176	0	114.3	E248 Q252 L253	E248-K250 PolarHBondContact O-N 3.16Å; E248-K250 VanDerWaalsContact O-N 3.09Å; K250-Q252 PolarHBondContact O-N 2.56Å; K250-L253 HydrophobicContact CB-CD1 4.39Å; K250-L253 HydrophobicContact CG-CD1 4.41Å; K250-L253 WeakPolarHBondContact O-CG 3.19Å; K250-L253 PolarHBondContact O-N 3.33Å
251	S	84.7	Confident	88.1	Confident	10 Å²	10	40.2 Å²	40.2	7%	0.07	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-69	-16.8	178.2	68.3	0	0	0	0	113.5	R101 C244 F245 E248 I249	R101-S251 PolarHBondContact NH1-O 3.12Å; C244-S251 WeakPolarHBondContact CA-OG 3.32Å; F245-S251 PolarHBondContact N-OG 3.14Å; F245-S251 PolarHBondContact O-OG 3.34Å; E248-S251 WeakPolarHBondContact O-CB 3.41Å; E248-S251 PolarHBondContact O-N 2.87Å; E248-S251 PolarHBondContact O-OG 2.97Å; I249-S251 PolarHBondContact O-N 3.48Å
252	Q	85.1	Confident	88.8	Confident	111 Å²	111	40.5 Å²	40.5	52%	0.519	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-92.4	5.8	-179.3	-51.6	176.2	35.6	0	0	112.8	C244 I249 K250	C244-Q252 HydrophobicContact CB-CG 4.15Å; I249-Q252 WeakPolarHBondContact O-CB 3.35Å; I249-Q252 PolarHBondContact O-N 3.01Å; I249-Q252 VanDerWaalsContact O-N 3.12Å; K250-Q252 PolarHBondContact O-N 2.56Å
253	L	88.8	Confident	89.3	Confident	66 Å²	66	40.6 Å²	40.6	35%	0.346	23%	0.227	S	C	.	.			trans	-86.9	128.6	-179.6	-61.5	175.1	0	0	0	111.4	L100 R101 K250	L100-L253 HydrophobicContact CB-CB 4.36Å; L100-L253 VanDerWaalsContact CB-O 3.24Å; L100-L253 WeakPolarHBondContact CB-O 3.44Å; L100-L253 HydrophobicContact CD1-CB 4.03Å; R101-L253 WeakPolarHBondContact CD-O 3.42Å; K250-L253 HydrophobicContact CB-CD1 4.39Å; K250-L253 HydrophobicContact CG-CD1 4.41Å; K250-L253 WeakPolarHBondContact O-CG 3.19Å; K250-L253 PolarHBondContact O-N 3.33Å
254	S	89.9	Confident	89.8	Confident	39 Å²	39	42.7 Å²	42.7	27%	0.273	24%	0.237	S	C	.	.			trans	-107.9	139	172	-56.5	0	0	0	0	110.6	E234 P278	E234-S254 VanDerWaalsContact OE1-CB 3.26Å; E234-S254 WeakPolarHBondContact OE1-CB 3.29Å; E234-S254 PolarHBondContact OE1-OG 2.8Å; S254-P278 WeakPolarHBondContact O-CD 3.26Å
255	G	94.9	Very high	90.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	135.2	-167.1	-167.9	0	0	0	0	0	111.4	N99 L100 I276	N99-G255 PolarHBondContact OD1-O 3.34Å; L100-G255 WeakPolarHBondContact CB-O 3.24Å; L100-G255 WeakPolarHBondContact CG-O 3.45Å; L100-G255 PolarHBondContact N-O 2.94Å; G255-I276 WeakPolarHBondContact CA-O 2.99Å
256	A	96.6	Very high	90.9	Very high	1 Å²	1	43 Å²	43	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.7	174	0	0	0	0	0	111.4	L97 C98 L232 N275 I276 L515	L97-A256 HydrophobicContact CD1-CB 3.75Å; C98-A256 WeakPolarHBondContact O-CA 3.3Å; L232-A256 HydrophobicContact CD2-CB 4.18Å; A256-N275 CarbonylContact O-C 3.56Å; A256-N275 WeakPolarHBondContact O-CA 3.43Å; A256-I276 PolarHBondContact N-O 3.3Å; A256-I276 PolarHBondContact O-N 2.77Å; A256-L515 HydrophobicContact CB-CD2 3.57Å
257	V	96.9	Very high	91.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.3	161.8	60.6	0	0	0	0	108.8	C98 L100 Y207 I269 I274	C98-V257 HydrophobicContact CB-CG1 3.79Å; C98-V257 PolarHBondContact N-O 3.16Å; C98-V257 PolarHBondContact O-N 3.3Å; L100-V257 HydrophobicContact CD2-CB 3.85Å; L100-V257 HydrophobicContact CD2-CG1 4.13Å; Y207-V257 HydrophobicContact CD1-CG1 4.5Å; Y207-V257 HydrophobicContact CD2-CG1 3.99Å; Y207-V257 HydrophobicContact CE1-CG1 4.33Å; Y207-V257 HydrophobicContact CE2-CG1 3.85Å; Y207-V257 HydrophobicContact CG-CG1 4.35Å; V257-I269 HydrophobicContact CG1-CG2 3.96Å; V257-I269 HydrophobicContact CG2-CG2 4Å; V257-I274 WeakPolarHBondContact CA-O 3.43Å
258	V	97.7	Very high	92.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.1	171.9	-59.1	0	0	0	0	112.4	L95 T96 L97 I274 I276 I284 I517	L95-V258 HydrophobicContact CD1-CB 3.97Å; L95-V258 HydrophobicContact CD1-CG1 4.46Å; L95-V258 HydrophobicContact CD1-CG2 4.47Å; T96-V258 CarbonylContact O-C 3.55Å; T96-V258 WeakPolarHBondContact O-CA 3.34Å; T96-V258 WeakPolarHBondContact O-CB 3.42Å; L97-V258 HydrophobicContact CB-CG1 4.42Å; L97-V258 HydrophobicContact CD1-CG1 3.68Å; V258-I274 HydrophobicContact CG2-CB 4.08Å; V258-I274 PolarHBondContact N-O 2.84Å; V258-I274 PolarHBondContact O-N 3.2Å; V258-I276 HydrophobicContact CG1-CD1 4.03Å; V258-I276 HydrophobicContact CG2-CD1 3.77Å; V258-I276 HydrophobicContact CG2-CG1 4.29Å; V258-I284 HydrophobicContact CG2-CD1 3.56Å; V258-I517 HydrophobicContact CG1-CD1 3.89Å
259	T	97.6	Very high	93.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.4	174.7	-60.6	0	0	0	0	109.2	T96 P267 E272	T96-T259 PolarHBondContact N-O 3.3Å; T96-T259 PolarHBondContact O-N 2.92Å; T259-P267 HydrophobicContact CG2-CB 4.37Å; T259-E272 HydrophobicContact CG2-CB 3.74Å; T259-E272 PolarHBondContact OG1-O 3.38Å
260	V	97.7	Very high	93.9	Very high	16 Å²	16	30.6 Å²	30.6	10%	0.097	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.3	176.8	-178.5	0	0	0	0	107.5	P93 L95 I284 V286 T450 L519	P93-V260 HydrophobicContact CB-CG1 3.65Å; P93-V260 HydrophobicContact CG-CG1 3.64Å; L95-V260 HydrophobicContact CD1-CG2 4.13Å; V260-I284 HydrophobicContact CG2-CG2 4.09Å; V260-V286 HydrophobicContact CG1-CG1 4.43Å; V260-V286 HydrophobicContact CG1-CG2 4.39Å; V260-T450 HydrophobicContact CB-CG2 3.89Å; V260-T450 HydrophobicContact CG1-CG2 4.17Å; V260-T450 HydrophobicContact CG2-CG2 3.95Å; V260-L519 HydrophobicContact CG1-CD1 4.21Å; V260-L519 HydrophobicContact CG1-CD2 4.39Å; V260-L519 HydrophobicContact CG2-CD1 3.55Å; V260-L519 HydrophobicContact CG2-CD2 4.34Å
261	H	97.3	Very high	94.4	Very high	9 Å²	9	32.2 Å²	32.2	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	175.4	-171.9	61.3	92.8	0	0	0	112.3	P93 S94 T96 T265	P93-H261 CarbonylContact C-O 3.55Å; P93-H261 WeakPolarHBondContact CA-O 3.49Å; P93-H261 WeakPolarHBondContact CB-O 3.41Å; S94-H261 VanDerWaalsContact CB-CE1 3.43Å; S94-H261 WeakPolarHBondContact CB-CE1 3.49Å; S94-H261 PolarHBondContact N-O 3.36Å; S94-H261 PolarHBondContact O-N 2.94Å; T96-H261 PolarHBondContact OG1-NE2 3.46Å; H261-T265 PolarHBondContact CE1-O 2.91Å; H261-T265 PolarHBondContact ND1-O 3.05Å; H261-T265 PolarHBondContact ND1-OG1 3.27Å
262	N	96.8	Very high	94.8	Very high	47 Å²	47	37 Å²	37	25%	0.251	19%	0.19	S	C	.	.	S	Bend	trans	-60.6	146.1	178	-76.6	-3.2	0	0	0	112.1	E264 T265 F446 Y448	N262-E264 PolarHBondContact O-N 3.45Å; N262-T265 HydrophobicContact CB-CG2 3.57Å; N262-T265 PolarHBondContact O-N 3.02Å; N262-T265 VanDerWaalsContact O-N 3.15Å; N262-T265 PolarHBondContact O-OG1 3.04Å; N262-F446 PolarHBondContact ND2-O 3.23Å; N262-F446 PolarHBondContact OD1-O 2.87Å; N262-Y448 WeakPolarHBondContact OD1-CD2 3.41Å; N262-Y448 WeakPolarHBondContact OD1-CE2 3.35Å
263	A	95.4	Very high	95.3	Very high	20 Å²	20	33.2 Å²	33.2	17%	0.165	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	129.9	-175.1	0	0	0	0	0	111.5	S94 T265	S94-A263 WeakPolarHBondContact OG-CA 3.13Å; A263-T265 PolarHBondContact O-N 2.88Å; A263-T265 VanDerWaalsContact O-N 3.14Å
264	E	95.3	Very high	95.6	Very high	47 Å²	47	31.5 Å²	31.5	22%	0.22	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	5.7	-176.8	-48.8	-172.1	-142.2	0	0	117	S94 R198 D214 R220 N262 Y317 A318	S94-E264 PolarHBondContact OG-N 3.44Å; R198-E264 IonicContact CZ-OE2 2.95Å; R198-E264 IonicContact NH1-OE2 2.88Å; R198-E264 VanDerWaalsContact NH2-CD 3.29Å; R198-E264 IonicContact NH2-OE2 3.95Å; R198-E264 PolarHBondContact NH2-OE2 2.95Å; D214-E264 HydrophobicContact CB-CG 4.34Å; D214-E264 WeakPolarHBondContact OD1-CA 3.46Å; D214-E264 PolarHBondContact OD1-N 3.08Å; R220-E264 IonicContact CZ-OE1 2.61Å; R220-E264 IonicContact NH1-OE1 3.54Å; R220-E264 PolarHBondContact NH1-OE1 2.87Å; R220-E264 IonicContact NH2-OE1 2.77Å; R220-E264 PolarHBondContact NH2-OE1 2.91Å; N262-E264 PolarHBondContact O-N 3.45Å; E264-Y317 WeakPolarHBondContact O-CD1 3.47Å; E264-A318 HydrophobicContact CB-CB 3.96Å; E264-A318 PolarHBondContact O-N 3.44Å
265	T	96.8	Very high	95.9	Very high	10 Å²	10	33 Å²	33	6%	0.061	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-79.4	161.1	176.6	68.5	0	0	0	0	112.1	H261 N262 A263 A318	H261-T265 PolarHBondContact CE1-O 2.91Å; H261-T265 PolarHBondContact ND1-O 3.05Å; H261-T265 PolarHBondContact ND1-OG1 3.27Å; N262-T265 HydrophobicContact CB-CG2 3.57Å; N262-T265 PolarHBondContact O-N 3.02Å; N262-T265 VanDerWaalsContact O-N 3.15Å; N262-T265 PolarHBondContact O-OG1 3.04Å; A263-T265 PolarHBondContact O-N 2.88Å; A263-T265 VanDerWaalsContact O-N 3.14Å; T265-A318 HydrophobicContact CG2-CB 3.88Å
266	Y	96.8	Very high	96	Very high	16 Å²	16	33.3 Å²	33.3	6%	0.063	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-68.9	135.4	168.8	-175.4	-98.5	0	0	0	110.5	L311 Y312 Y317 H322 M326 P345	Y266-L311 HydrophobicContact CD2-CD1 3.76Å; Y266-L311 HydrophobicContact CG-CD1 3.88Å; Y266-Y312 HydrophobicContact CD2-CE2 4.34Å; Y266-Y312 AromaticContact CE2-CE2 3.87Å; Y266-Y312 HydrophobicContact CE2-CE2 3.87Å; Y266-Y312 WeakPolarHBondContact CE2-OH 3.42Å; Y266-Y317 HydrophobicContact CD2-CE1 4.15Å; Y266-H322 AromaticContact CD1-CD2 3.66Å; Y266-H322 AromaticContact CD1-NE2 3.44Å; Y266-H322 WeakPolarHBondContact CD1-NE2 3.32Å; Y266-H322 AromaticContact CE1-NE2 3.52Å; Y266-M326 HydrophobicContact CE1-CG 4.27Å; Y266-P345 HydrophobicContact CE2-CB 4.41Å; Y266-P345 HydrophobicContact CE2-CG 4.47Å
267	P	97.1	Very high	95.8	Very high	3 Å²	3	39 Å²	39	2%	0.019	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-89.3	137.6	-175.9	33.3	-34.7	0	0	0	113.7	T96 F202 T259 I269	T96-P267 HydrophobicContact CG2-CB 4.24Å; T96-P267 HydrophobicContact CG2-CG 3.97Å; F202-P267 HydrophobicContact CE1-CG 3.96Å; F202-P267 HydrophobicContact CE2-CG 4.37Å; F202-P267 HydrophobicContact CZ-CG 3.51Å; T259-P267 HydrophobicContact CG2-CB 4.37Å; P267-I269 HydrophobicContact CB-CG1 4.34Å; P267-I269 HydrophobicContact CG-CG1 4.32Å; P267-I269 PolarHBondContact O-N 3.15Å
268	D	95.7	Very high	95.8	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.091	21%	0.212	C	C	.	.			trans	-89	76.9	169.3	-163.5	-26.4	0	0	0	111.3	N270 Q271 E272 H322	D268-N270 PolarHBondContact O-N 2.92Å; D268-N270 PolarHBondContact OD1-N 3.37Å; D268-Q271 PolarHBondContact O-N 3.46Å; D268-Q271 PolarHBondContact OD1-N 2.94Å; D268-Q271 PolarHBondContact OD2-NE2 2.7Å; D268-E272 HydrophobicContact CB-CG 4.39Å; D268-E272 WeakPolarHBondContact O-CA 3.34Å; D268-E272 WeakPolarHBondContact O-CB 3.31Å; D268-E272 PolarHBondContact O-N 2.92Å; D268-H322 VanDerWaalsContact CB-CE1 3.48Å; D268-H322 WeakPolarHBondContact CB-CE1 3.33Å; D268-H322 IonicContact OD1-CE1 3.63Å; D268-H322 IonicContact OD2-CE1 3.06Å; D268-H322 PolarHBondContact OD2-CE1 3.26Å; D268-H322 IonicContact OD2-ND1 2.78Å; D268-H322 PolarHBondContact OD2-ND1 2.98Å
269	I	95.9	Very high	95.7	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-26.3	179	-54.7	158.8	0	0	0	111.8	T96 C98 F202 Y207 C210 V257 P267 G273	T96-I269 HydrophobicContact CG2-CD1 4.08Å; T96-I269 HydrophobicContact CG2-CG1 4.09Å; C98-I269 VanDerWaalsContact SG-CD1 3.55Å; F202-I269 HydrophobicContact CE2-CD1 3.78Å; F202-I269 HydrophobicContact CZ-CD1 3.58Å; Y207-I269 HydrophobicContact CD2-CG2 4.04Å; Y207-I269 HydrophobicContact CE2-CG2 3.72Å; C210-I269 HydrophobicContact CB-CD1 4.39Å; V257-I269 HydrophobicContact CG1-CG2 3.96Å; V257-I269 HydrophobicContact CG2-CG2 4Å; P267-I269 HydrophobicContact CB-CG1 4.34Å; P267-I269 HydrophobicContact CG-CG1 4.32Å; P267-I269 PolarHBondContact O-N 3.15Å; I269-G273 VanDerWaalsContact O-CA 3.25Å; I269-G273 WeakPolarHBondContact O-CA 3.46Å; I269-G273 PolarHBondContact O-N 3.08Å
270	N	92.5	Very high	95.7	Very high	95 Å²	95	40.9 Å²	40.9	51%	0.508	22%	0.219	S	C	.	.	H	α-helix	trans	-82.1	-26.6	-172.5	-66.9	-41.6	0	0	0	112.9	H204 D268	H204-N270 PolarHBondContact CE1-OD1 3.06Å; H204-N270 VanDerWaalsContact CE1-OD1 3.28Å; H204-N270 PolarHBondContact NE2-ND2 2.68Å; H204-N270 PolarHBondContact NE2-OD1 2.68Å; D268-N270 PolarHBondContact O-N 2.92Å; D268-N270 PolarHBondContact OD1-N 3.37Å
271	Q	92.4	Very high	95.7	Very high	161 Å²	161	41.8 Å²	41.8	75%	0.752	22%	0.223	S	C	*	.	H	α-helix	trans	-106.5	-37.3	176.3	-58.9	-174.5	72.1	0	0	113.1	D268	D268-Q271 PolarHBondContact O-N 3.46Å; D268-Q271 PolarHBondContact OD1-N 2.94Å; D268-Q271 PolarHBondContact OD2-NE2 2.7Å
272	E	94.4	Very high	95.7	Very high	111 Å²	111	41.4 Å²	41.4	52%	0.519	22%	0.221	S	C	.	.	H	α-helix	trans	-104.6	14	-175.9	-56.4	-178.4	152.1	0	0	112.8	T259 D268 I274	T259-E272 HydrophobicContact CG2-CB 3.74Å; T259-E272 PolarHBondContact OG1-O 3.38Å; D268-E272 HydrophobicContact CB-CG 4.39Å; D268-E272 WeakPolarHBondContact O-CA 3.34Å; D268-E272 WeakPolarHBondContact O-CB 3.31Å; D268-E272 PolarHBondContact O-N 2.92Å; E272-I274 PolarHBondContact O-N 2.85Å
273	G	95.3	Very high	95.8	Very high	30 Å²	30	41.9 Å²	41.9	31%	0.309	22%	0.222	S	C	.	.			trans	-73.1	114	-179.8	0	0	0	0	0	114.1	I269	I269-G273 VanDerWaalsContact O-CA 3.25Å; I269-G273 WeakPolarHBondContact O-CA 3.46Å; I269-G273 PolarHBondContact O-N 3.08Å
274	I	95.6	Very high	95.9	Very high	31 Å²	31	40.9 Å²	40.9	16%	0.159	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	106.6	173.5	-56	177	0	0	0	109.1	V257 V258 E272 I284	V257-I274 WeakPolarHBondContact CA-O 3.43Å; V258-I274 HydrophobicContact CG2-CB 4.08Å; V258-I274 PolarHBondContact N-O 2.84Å; V258-I274 PolarHBondContact O-N 3.2Å; E272-I274 PolarHBondContact O-N 2.85Å; I274-I284 HydrophobicContact CD1-CD1 4.49Å
275	N	95.2	Very high	96	Very high	70 Å²	70	41.7 Å²	41.7	37%	0.374	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	139	170.7	-68.6	-3.5	0	0	0	111.1	A256 R452	A256-N275 CarbonylContact O-C 3.56Å; A256-N275 WeakPolarHBondContact O-CA 3.43Å; N275-R452 PolarHBondContact O-NH1 3.17Å
276	I	96.3	Very high	96	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.3	175.7	-38.3	-179.9	0	0	0	110	G255 A256 V258 T282 I284 L515 I517	G255-I276 WeakPolarHBondContact CA-O 2.99Å; A256-I276 PolarHBondContact N-O 3.3Å; A256-I276 PolarHBondContact O-N 2.77Å; V258-I276 HydrophobicContact CG1-CD1 4.03Å; V258-I276 HydrophobicContact CG2-CD1 3.77Å; V258-I276 HydrophobicContact CG2-CG1 4.29Å; I276-T282 HydrophobicContact CD1-CG2 4.35Å; I276-T282 HydrophobicContact CG2-CG2 4.18Å; I276-T282 WeakPolarHBondContact CG2-OG1 3.48Å; I276-I284 HydrophobicContact CD1-CD1 4.48Å; I276-L515 HydrophobicContact CB-CD1 4.12Å; I276-L515 HydrophobicContact CB-CD2 4.18Å; I276-L515 HydrophobicContact CG2-CD1 3.44Å; I276-L515 VanDerWaalsContact CG2-CD1 3.44Å; I276-L515 HydrophobicContact CG2-CD2 4.39Å; I276-I517 HydrophobicContact CD1-CD1 3.89Å; I276-I517 HydrophobicContact CD1-CG1 3.93Å; I276-I517 HydrophobicContact CD1-CG2 3.94Å
277	Q	94.2	Very high	96	Very high	121 Å²	121	43.8 Å²	43.8	57%	0.565	23%	0.225	S	C	*	.			trans	-74.7	148	-179.7	64.7	177.6	72	0	0	112.2	S280 L515	Q277-S280 WeakPolarHBondContact CG-OG 3.21Å; Q277-S280 PolarHBondContact O-OG 3Å; Q277-L515 WeakPolarHBondContact O-CD1 3.34Å
278	P	95.7	Very high	95.9	Very high	27 Å²	27	43.8 Å²	43.8	18%	0.175	23%	0.225	C	C	.	.	S	Bend	trans	-58.4	161	164.8	-15.1	27.4	0	0	0	111.9	L232 S254 S280 E511 R512	L232-P278 HydrophobicContact CD1-CB 3.89Å; L232-P278 HydrophobicContact CD1-CG 3.68Å; S254-P278 WeakPolarHBondContact O-CD 3.26Å; P278-S280 VanDerWaalsContact C-N 3.26Å; P278-S280 PolarHBondContact O-N 2.88Å; P278-E511 CarbonylContact C-O 3.5Å; P278-E511 WeakPolarHBondContact CB-O 3.02Å; P278-R512 VanDerWaalsContact CB-O 3.25Å; P278-R512 WeakPolarHBondContact CB-O 3.43Å
279	G	96	Very high	96	Very high	15 Å²	15	43.8 Å²	43.8	16%	0.155	23%	0.225	C	C	.	.	S	Bend	trans	69.7	28.3	173.9	0	0	0	0	0	112.7	W457 E511 L514	G279-W457 CarbonylContact C-O 3.56Å; G279-W457 WeakPolarHBondContact CA-O 3.48Å; G279-W457 PolarHBondContact O-N 2.9Å; G279-W457 VanDerWaalsContact O-O 3.06Å; G279-E511 WeakPolarHBondContact CA-O 3.43Å; G279-E511 PolarHBondContact N-O 3.17Å; G279-L514 PolarHBondContact N-O 2.79Å
280	S	97	Very high	96	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.8	-179.2	76.3	0	0	0	0	113.5	Q277 P278 S455 W457 A516	Q277-S280 WeakPolarHBondContact CG-OG 3.21Å; Q277-S280 PolarHBondContact O-OG 3Å; P278-S280 VanDerWaalsContact C-N 3.26Å; P278-S280 PolarHBondContact O-N 2.88Å; S280-S455 CarbonylContact C-O 2.82Å; S280-S455 WeakPolarHBondContact CA-O 3.28Å; S280-S455 VanDerWaalsContact CB-O 3.3Å; S280-S455 WeakPolarHBondContact CB-O 3.32Å; S280-W457 PolarHBondContact N-O 2.93Å; S280-A516 PolarHBondContact O-N 3.07Å
281	L	97.5	Very high	96.1	Very high	35 Å²	35	44.4 Å²	44.4	18%	0.183	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.9	161.7	-178.1	156.4	0	0	0	107.2	E283 T454 S455 W457 A516 M518	L281-E283 HydrophobicContact CD2-CG 3.95Å; L281-T454 CarbonylContact O-C 3.59Å; L281-T454 VanDerWaalsContact O-CA 3.32Å; L281-T454 WeakPolarHBondContact O-CA 3.2Å; L281-S455 PolarHBondContact N-O 3.16Å; L281-S455 PolarHBondContact O-N 3.49Å; L281-W457 HydrophobicContact CB-CB 3.78Å; L281-W457 HydrophobicContact CB-CG 4.14Å; L281-A516 WeakPolarHBondContact CA-O 3.49Å; L281-A516 HydrophobicContact CB-CB 3.96Å; L281-A516 HydrophobicContact CD1-CB 4.18Å; L281-A516 HydrophobicContact CG-CB 3.9Å; L281-M518 HydrophobicContact CD1-SD 4.17Å; L281-M518 HydrophobicContact CD2-SD 4.1Å; L281-M518 HydrophobicContact CG-SD 4.43Å
282	T	98.1	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.8	179	-69.2	0	0	0	0	110.8	I276 I284 R452 T454 A516 I517 M518	I276-T282 HydrophobicContact CD1-CG2 4.35Å; I276-T282 HydrophobicContact CG2-CG2 4.18Å; I276-T282 WeakPolarHBondContact CG2-OG1 3.48Å; T282-I284 HydrophobicContact CG2-CG1 4.03Å; T282-R452 HydrophobicContact CG2-CG 3.61Å; T282-T454 WeakPolarHBondContact OG1-CG2 3.36Å; T282-T454 PolarHBondContact OG1-OG1 3.42Å; T282-A516 PolarHBondContact N-O 2.87Å; T282-I517 WeakPolarHBondContact O-CA 3.44Å; T282-M518 PolarHBondContact O-N 2.03Å
283	E	97.9	Very high	96.2	Very high	57 Å²	57	35.4 Å²	35.4	27%	0.266	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.1	167	-60	-177.8	114.2	0	0	109.8	L281 K285 R452 S453 M518 I520	L281-E283 HydrophobicContact CD2-CG 3.95Å; E283-K285 IonicContact OE1-NZ 2.76Å; E283-K285 VanDerWaalsContact OE2-CE 3.27Å; E283-K285 WeakPolarHBondContact OE2-CE 3.47Å; E283-K285 IonicContact OE2-NZ 3.35Å; E283-K285 PolarHBondContact OE2-NZ 2.93Å; E283-R452 WeakPolarHBondContact O-CA 3.24Å; E283-S453 PolarHBondContact N-O 3.24Å; E283-S453 PolarHBondContact O-N 2.7Å; E283-S453 PolarHBondContact OE2-OG 2.96Å; E283-M518 CarbonylContact C-O 3.55Å; E283-M518 WeakPolarHBondContact CA-O 3.42Å; E283-M518 HydrophobicContact CG-CB 4.48Å; E283-I520 HydrophobicContact CB-CD1 4.09Å; E283-I520 HydrophobicContact CG-CD1 3.95Å; E283-I520 WeakPolarHBondContact OE1-CD1 3.5Å
284	I	98.1	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	107.3	172	-55.5	179.2	0	0	0	106.8	V258 V260 I274 I276 T282 T450 D451 I517 M518 L519 I520	V258-I284 HydrophobicContact CG2-CD1 3.56Å; V260-I284 HydrophobicContact CG2-CG2 4.09Å; I274-I284 HydrophobicContact CD1-CD1 4.49Å; I276-I284 HydrophobicContact CD1-CD1 4.48Å; T282-I284 HydrophobicContact CG2-CG1 4.03Å; I284-T450 HydrophobicContact CG2-CG2 3.85Å; I284-D451 CarbonylContact C-O 3.58Å; I284-D451 WeakPolarHBondContact CA-O 3.22Å; I284-I517 HydrophobicContact CD1-CG2 4.27Å; I284-M518 PolarHBondContact N-O 3.23Å; I284-L519 HydrophobicContact CB-CD1 3.82Å; I284-L519 HydrophobicContact CG2-CD1 3.71Å; I284-L519 WeakPolarHBondContact O-CA 3.32Å; I284-I520 PolarHBondContact O-N 3.37Å
285	K	97.8	Very high	96.1	Very high	63 Å²	63	38.5 Å²	38.5	27%	0.274	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.1	-174.6	-72.9	155.5	-175.4	157.3	0	109.2	E283 T450 D451 S453 I520	E283-K285 IonicContact OE1-NZ 2.76Å; E283-K285 VanDerWaalsContact OE2-CE 3.27Å; E283-K285 WeakPolarHBondContact OE2-CE 3.47Å; E283-K285 IonicContact OE2-NZ 3.35Å; E283-K285 PolarHBondContact OE2-NZ 2.93Å; K285-T450 WeakPolarHBondContact O-CA 3.41Å; K285-D451 HydrophobicContact CB-CB 4.35Å; K285-D451 PolarHBondContact N-O 3.23Å; K285-D451 PolarHBondContact O-N 3.24Å; K285-S453 PolarHBondContact NZ-OG 2.99Å; K285-I520 CarbonylContact C-O 3.5Å; K285-I520 WeakPolarHBondContact CA-O 3.24Å; K285-I520 HydrophobicContact CG-CB 4.35Å
286	V	96.8	Very high	96	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.1	-169.9	-162	0	0	0	0	111.2	P93 V260 Y448 E449 L519 I520 P522	P93-V286 HydrophobicContact CG-CG1 4.28Å; V260-V286 HydrophobicContact CG1-CG1 4.43Å; V260-V286 HydrophobicContact CG1-CG2 4.39Å; V286-Y448 HydrophobicContact CG1-CD1 3.6Å; V286-Y448 HydrophobicContact CG1-CG 3.96Å; V286-E449 WeakPolarHBondContact CA-O 3.43Å; V286-L519 HydrophobicContact CG2-CD1 3.32Å; V286-L519 HydrophobicContact CG2-CG 3.92Å; V286-I520 PolarHBondContact N-O 2.85Å; V286-P522 WeakPolarHBondContact O-CD 3.39Å
287	K	96.1	Very high	95.8	Very high	67 Å²	67	42.9 Å²	42.9	29%	0.291	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.5	167.3	-57.7	157	-179.7	144.8	0	108.5	Y448 E449 D451	K287-Y448 WeakPolarHBondContact O-CA 3.33Å; K287-E449 HydrophobicContact CB-CB 4.18Å; K287-E449 HydrophobicContact CD-CB 4Å; K287-E449 VanDerWaalsContact CD-OE2 3.28Å; K287-E449 WeakPolarHBondContact CD-OE2 2.88Å; K287-E449 PolarHBondContact N-O 2.92Å; K287-E449 IonicContact NZ-OE2 2.7Å; K287-E449 PolarHBondContact O-N 3.45Å; K287-E449 VanDerWaalsContact O-N 3.13Å; K287-D451 WeakPolarHBondContact CE-OD2 3.41Å; K287-D451 IonicContact NZ-OD1 3.22Å; K287-D451 PolarHBondContact NZ-OD1 3.08Å; K287-D451 IonicContact NZ-OD2 2.68Å; K287-D451 PolarHBondContact NZ-OD2 3.36Å
288	T	96.3	Very high	95.7	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.5	178.5	-54.3	0	0	0	0	110.9	F446 Y448 V526 H527	T288-F446 HydrophobicContact CG2-CD1 3.78Å; T288-F446 HydrophobicContact CG2-CE1 4.35Å; T288-Y448 HydrophobicContact CG2-CD1 4.32Å; T288-Y448 HydrophobicContact CG2-CE1 3.81Å; T288-V526 HydrophobicContact CG2-CG2 4.49Å; T288-V526 WeakPolarHBondContact O-CA 3.45Å; T288-H527 PolarHBondContact O-N 3.12Å
289	I	96.3	Very high	95.4	Very high	17 Å²	17	39 Å²	39	9%	0.087	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.9	176.3	-52.3	179.1	0	0	0	108.3	H291 F446 A447 E449 H527 V529	I289-H291 WeakPolarHBondContact CG2-NE2 3.42Å; I289-F446 CarbonylContact O-C 3.54Å; I289-F446 VanDerWaalsContact O-CA 3.25Å; I289-F446 WeakPolarHBondContact O-CA 3.13Å; I289-A447 HydrophobicContact CB-CB 4.49Å; I289-A447 PolarHBondContact N-O 3.34Å; I289-A447 PolarHBondContact O-N 3.22Å; I289-E449 HydrophobicContact CD1-CG 3.81Å; I289-E449 WeakPolarHBondContact CD1-OE1 3.04Å; I289-H527 CarbonylContact C-O 3.54Å; I289-H527 VanDerWaalsContact CA-O 3.27Å; I289-H527 WeakPolarHBondContact CA-O 3.37Å; I289-H527 HydrophobicContact CG1-CB 4.25Å; I289-H527 WeakPolarHBondContact CG2-O 3.38Å; I289-V529 HydrophobicContact CG2-CG2 3.73Å
290	K	96.1	Very high	95	Very high	69 Å²	69	45.5 Å²	45.5	30%	0.3	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112	169.8	-179.2	171.6	-179.6	169.1	0	109.4	F445 F446 V526 H527 K528 V529	K290-F445 WeakPolarHBondContact CA-O 3.35Å; K290-F446 HydrophobicContact CB-CD1 4.02Å; K290-F446 HydrophobicContact CB-CE1 3.96Å; K290-F446 HydrophobicContact CD-CE1 4.04Å; K290-F446 HydrophobicContact CD-CZ 4.18Å; K290-F446 HydrophobicContact CG-CD1 4.42Å; K290-F446 HydrophobicContact CG-CE1 4.2Å; K290-V526 HydrophobicContact CB-CG1 3.64Å; K290-H527 PolarHBondContact N-O 2.73Å; K290-K528 WeakPolarHBondContact O-CA 3.29Å; K290-V529 PolarHBondContact O-N 3.06Å
291	H	95.1	Very high	94.8	Very high	45 Å²	45	45.6 Å²	45.6	21%	0.208	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	136.4	172.2	-64.7	-87.4	0	0	0	109.9	I289 A444 F445 V529	I289-H291 WeakPolarHBondContact CG2-NE2 3.42Å; H291-A444 WeakPolarHBondContact O-CA 3.35Å; H291-F445 HydrophobicContact CB-CD1 4.12Å; H291-F445 HydrophobicContact CB-CD2 4.27Å; H291-F445 HydrophobicContact CB-CE1 3.69Å; H291-F445 HydrophobicContact CB-CE2 3.85Å; H291-F445 HydrophobicContact CB-CG 4.4Å; H291-F445 HydrophobicContact CB-CZ 3.54Å; H291-F445 AromaticContact CD2-CE2 3.58Å; H291-F445 AromaticContact CG-CE2 3.84Å; H291-F445 AromaticContact CG-CZ 3.79Å; H291-F445 PolarHBondContact N-O 3.11Å; H291-F445 PolarHBondContact O-N 3.17Å; H291-F445 VanDerWaalsContact O-N 3.08Å; H291-V529 WeakPolarHBondContact CA-O 3.41Å
292	T	95.3	Very high	94.7	Very high	44 Å²	44	45.1 Å²	45.1	27%	0.27	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.4	165.8	-38.7	0	0	0	0	107.5	C443 V529 D530 E531	T292-C443 CarbonylContact C-O 3.52Å; T292-C443 WeakPolarHBondContact CA-O 3.31Å; T292-V529 PolarHBondContact N-O 2.68Å; T292-D530 VanDerWaalsContact CB-OD1 3.24Å; T292-D530 WeakPolarHBondContact CB-OD1 3.42Å; T292-D530 PolarHBondContact OG1-OD1 2.87Å; T292-E531 PolarHBondContact O-N 2.85Å
293	Q	94.1	Very high	94.4	Very high	38 Å²	38	50 Å²	50	18%	0.178	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-100.3	160.1	-177.9	-66.2	-163.6	7.6	0	0	112.3	C301 C443 F445 E531	Q293-C301 HydrophobicContact CB-CB 3.97Å; Q293-C301 PolarHBondContact O-SG 3.34Å; Q293-C301 VanDerWaalsContact O-SG 3.42Å; Q293-C443 PolarHBondContact N-O 2.97Å; Q293-F445 HydrophobicContact CG-CE1 4.29Å; Q293-E531 WeakPolarHBondContact CA-OE2 3.39Å; Q293-E531 WeakPolarHBondContact CB-OE2 3.47Å; Q293-E531 WeakPolarHBondContact CG-OE1 3.3Å
294	K	94	Very high	94.2	Very high	60 Å²	60	53.9 Å²	53.9	26%	0.261	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-89.5	149.1	173.9	-70.9	-88	179	164.8	0	110.9	V78 G299 R300 C301 E531 E533	V78-K294 HydrophobicContact CG1-CG 4.47Å; K294-G299 CarbonylContact O-C 3.58Å; K294-G299 WeakPolarHBondContact O-CA 3.46Å; K294-R300 PolarHBondContact O-N 3.38Å; K294-C301 PolarHBondContact O-N 3.08Å; K294-C301 PolarHBondContact O-SG 2.99Å; K294-E531 HydrophobicContact CB-CB 4.41Å; K294-E531 WeakPolarHBondContact CE-O 3.34Å; K294-E531 HydrophobicContact CG-CB 3.73Å; K294-E531 PolarHBondContact N-OE2 2.87Å; K294-E533 IonicContact NZ-OE2 3.47Å; K294-E533 PolarHBondContact NZ-OE2 3.47Å
295	T	94.6	Very high	94	Very high	67 Å²	67	54.8 Å²	54.8	41%	0.411	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-71.3	163.2	168.4	55.5	0	0	0	0	110.7	Y298 G299 C301	T295-Y298 PolarHBondContact O-N 3.22Å; T295-Y298 VanDerWaalsContact O-N 3.09Å; T295-G299 CarbonylContact C-O 3.55Å; T295-G299 PolarHBondContact O-N 3.02Å; T295-G299 VanDerWaalsContact O-N 3.1Å; T295-C301 PolarHBondContact N-SG 3.27Å
296	P	92.2	Very high	93.9	Very high	87 Å²	87	55 Å²	55	57%	0.565	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	143.4	166.4	-27.9	34.9	0	0	0	111.9	G299 C301	P296-G299 VanDerWaalsContact CA-O 3.3Å; P296-G299 WeakPolarHBondContact CA-O 3.36Å; P296-G299 WeakPolarHBondContact CD-O 3.3Å; P296-G299 WeakPolarHBondContact CG-O 3.37Å; P296-G299 VanDerWaalsContact N-O 3.12Å; P296-C301 VanDerWaalsContact CD-O 3.32Å; P296-C301 WeakPolarHBondContact CD-O 3.49Å
297	P	92.6	Very high	93.8	Very high	82 Å²	82	60.4 Å²	60.4	53%	0.532	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	cis	-83.9	-5.8	4.1	35	-37.8	0	0	0	115.4	Y76	Y76-P297 HydrophobicContact CD1-CB 4.15Å; Y76-P297 HydrophobicContact CD1-CG 3.57Å; Y76-P297 HydrophobicContact CD2-CB 4.03Å; Y76-P297 HydrophobicContact CD2-CG 4.3Å; Y76-P297 HydrophobicContact CE1-CB 4.31Å; Y76-P297 HydrophobicContact CE1-CG 3.55Å; Y76-P297 HydrophobicContact CE2-CB 4.2Å; Y76-P297 HydrophobicContact CE2-CG 4.29Å; Y76-P297 HydrophobicContact CG-CB 4.01Å; Y76-P297 HydrophobicContact CG-CG 3.96Å
298	Y	91.2	Very high	93.8	Very high	48 Å²	48	63.9 Å²	63.9	19%	0.188	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-27.9	-174	-73.7	-82.3	0	0	0	114.1	Y76 V78 T295 E533	Y76-Y298 HydrophobicContact CD1-CD1 4.23Å; Y76-Y298 HydrophobicContact CD1-CD2 4.38Å; Y76-Y298 AromaticContact CD1-CE1 3.88Å; Y76-Y298 HydrophobicContact CD1-CE1 3.88Å; Y76-Y298 HydrophobicContact CD1-CE2 4.04Å; Y76-Y298 HydrophobicContact CD1-CG 4.46Å; Y76-Y298 AromaticContact CD1-CZ 3.78Å; Y76-Y298 VanDerWaalsContact O-CD1 3.28Å; Y76-Y298 WeakPolarHBondContact O-CD1 3.47Å; V78-Y298 HydrophobicContact CG1-CD1 4.12Å; T295-Y298 PolarHBondContact O-N 3.22Å; T295-Y298 VanDerWaalsContact O-N 3.09Å; Y298-E533 HydrophobicContact CD1-CB 3.98Å; Y298-E533 HydrophobicContact CE1-CB 3.53Å
299	G	89.3	Confident	93.8	Very high	18 Å²	18	64.8 Å²	64.8	19%	0.186	35%	0.35	C	S	.	.			trans	-150.1	-167.1	178.9	0	0	0	0	0	112	K294 T295 P296	K294-G299 CarbonylContact O-C 3.58Å; K294-G299 WeakPolarHBondContact O-CA 3.46Å; T295-G299 CarbonylContact C-O 3.55Å; T295-G299 PolarHBondContact O-N 3.02Å; T295-G299 VanDerWaalsContact O-N 3.1Å; P296-G299 VanDerWaalsContact CA-O 3.3Å; P296-G299 WeakPolarHBondContact CA-O 3.36Å; P296-G299 WeakPolarHBondContact CD-O 3.3Å; P296-G299 WeakPolarHBondContact CG-O 3.37Å; P296-G299 VanDerWaalsContact N-O 3.12Å
300	R	89	Confident	93.7	Very high	152 Å²	152	68.5 Å²	68.5	57%	0.574	37%	0.37	S	S	*	.	S	Bend	trans	-110.6	-0.3	-173	-65.2	-173.7	-65.7	161	2.2	114.7	K294 V435	K294-R300 PolarHBondContact O-N 3.38Å; R300-V435 VanDerWaalsContact NH1-CG2 3.35Å
301	C	93.3	Very high	93.6	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.014	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	153.8	-174.3	81.6	0	0	0	0	112.8	Q293 K294 T295 P296 L441 C443	Q293-C301 HydrophobicContact CB-CB 3.97Å; Q293-C301 PolarHBondContact O-SG 3.34Å; Q293-C301 VanDerWaalsContact O-SG 3.42Å; K294-C301 PolarHBondContact O-N 3.08Å; K294-C301 PolarHBondContact O-SG 2.99Å; T295-C301 PolarHBondContact N-SG 3.27Å; P296-C301 VanDerWaalsContact CD-O 3.32Å; P296-C301 WeakPolarHBondContact CD-O 3.49Å; C301-L441 CarbonylContact C-O 3.56Å; C301-L441 WeakPolarHBondContact CA-O 3.11Å; C301-L441 WeakPolarHBondContact CB-O 3.17Å; C301-C443 HydrophobicContact CB-CB 3.81Å; C301-C443 WeakPolarHBondContact CB-SG 3.2Å; C301-C443 WeakPolarHBondContact SG-CA 3.39Å; C301-C443 WeakPolarHBondContact SG-CB 3.38Å; C301-C443 CovalentContact SG-SG 2.04Å; C301-C443 PolarHBondContact SG-SG 3.36Å
302	S	94	Very high	93.5	Very high	25 Å²	25	64 Å²	64	18%	0.175	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.7	171.4	-172.9	0	0	0	0	110.9	D304 T305 L441	S302-D304 PolarHBondContact OG-N 3.01Å; S302-D304 VanDerWaalsContact OG-N 3.17Å; S302-T305 PolarHBondContact O-OG1 3.02Å; S302-T305 VanDerWaalsContact O-OG1 3.09Å; S302-L441 PolarHBondContact N-O 3.37Å
303	P	92.2	Very high	92.9	Very high	102 Å²	102	63.2 Å²	63.2	66%	0.662	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.3	167.1	31.1	-34.4	0	0	0	111.7	T305	P303-T305 VanDerWaalsContact C-N 3.26Å; P303-T305 PolarHBondContact O-N 2.88Å
304	D	93.2	Very high	92.5	Very high	138 Å²	138	65.7 Å²	65.7	74%	0.738	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	14.9	-176.7	-50.3	-62.1	0	0	0	112.9	S302	S302-D304 PolarHBondContact OG-N 3.01Å; S302-D304 VanDerWaalsContact OG-N 3.17Å
305	T	94.5	Very high	92.4	Very high	19 Å²	19	66.3 Å²	66.3	12%	0.117	38%	0.375	C	S	.	.			trans	-65.4	130.3	179.2	-61.9	0	0	0	0	111	S302 P303 Y319 T440 L441 P442	S302-T305 PolarHBondContact O-OG1 3.02Å; S302-T305 VanDerWaalsContact O-OG1 3.09Å; P303-T305 VanDerWaalsContact C-N 3.26Å; P303-T305 PolarHBondContact O-N 2.88Å; T305-Y319 HydrophobicContact CG2-CD1 3.71Å; T305-Y319 HydrophobicContact CG2-CE1 3.32Å; T305-T440 WeakPolarHBondContact CB-OG1 3.36Å; T305-T440 WeakPolarHBondContact CG2-O 3.42Å; T305-T440 WeakPolarHBondContact OG1-CB 3.37Å; T305-T440 PolarHBondContact OG1-OG1 2.86Å; T305-L441 PolarHBondContact OG1-O 3.22Å; T305-P442 HydrophobicContact CG2-CB 4.28Å
306	P	95.5	Very high	92.4	Very high	68 Å²	68	66 Å²	66	44%	0.442	37%	0.374	S	S	.	.			trans	-57.3	146.5	176.1	-25	34.5	0	0	0	112.7	Y319	P306-Y319 HydrophobicContact CB-CD2 3.96Å; P306-Y319 HydrophobicContact CB-CE2 4.39Å; P306-Y319 HydrophobicContact CB-CG 4.39Å; P306-Y319 HydrophobicContact CG-CD2 4.38Å; P306-Y319 HydrophobicContact CG-CE2 4.33Å; P306-Y319 WeakPolarHBondContact O-CB 3.47Å; P306-Y319 WeakPolarHBondContact O-CD1 3.46Å
307	T	94.7	Very high	92.6	Very high	117 Å²	117	62 Å²	62	72%	0.718	35%	0.347	S	S	*	.	S	Bend	trans	-90.5	-20	176.4	53.8	0	0	0	0	113.2	Y319	T307-Y319 PolarHBondContact O-N 2.86Å
308	K	96.3	Very high	92.8	Very high	139 Å²	139	59.2 Å²	59.2	60%	0.604	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.7	-174.9	-67.7	179	174.1	-173.8	0	111	V316 Y317	K308-V316 HydrophobicContact CB-CG1 4.21Å; K308-V316 HydrophobicContact CD-CG1 3.8Å; K308-V316 HydrophobicContact CG-CG1 4.22Å; K308-Y317 VanDerWaalsContact CA-O 3.28Å; K308-Y317 WeakPolarHBondContact CA-O 3.48Å
309	I	95.4	Very high	93.1	Very high	23 Å²	23	58.3 Å²	58.3	12%	0.118	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.1	174.9	-171	168	0	0	0	109.5	L311 Y317 Y319 A323 C324	I309-L311 HydrophobicContact CD1-CD2 4.14Å; I309-L311 HydrophobicContact CG1-CD2 4.11Å; I309-L311 HydrophobicContact CG2-CD1 4.46Å; I309-L311 HydrophobicContact CG2-CG 4.29Å; I309-Y317 PolarHBondContact N-O 3.47Å; I309-Y317 PolarHBondContact O-N 3.43Å; I309-Y319 HydrophobicContact CB-CD2 4.46Å; I309-A323 HydrophobicContact CG2-CB 4.07Å; I309-C324 HydrophobicContact CD1-CB 4.43Å
310	N	95.3	Very high	93.3	Very high	96 Å²	96	58.6 Å²	58.6	51%	0.513	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.9	174.8	-68.4	6.9	0	0	0	109.2	E315	N310-E315 WeakPolarHBondContact CA-O 3.39Å
311	L	94.1	Very high	93.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	162.9	178.6	-57.5	-179.7	0	0	0	108.6	Y266 I309 G313 E315 Y317 A323 P345	Y266-L311 HydrophobicContact CD2-CD1 3.76Å; Y266-L311 HydrophobicContact CG-CD1 3.88Å; I309-L311 HydrophobicContact CD1-CD2 4.14Å; I309-L311 HydrophobicContact CG1-CD2 4.11Å; I309-L311 HydrophobicContact CG2-CD1 4.46Å; I309-L311 HydrophobicContact CG2-CG 4.29Å; L311-G313 PolarHBondContact O-N 3.23Å; L311-E315 PolarHBondContact N-O 2.99Å; L311-E315 WeakPolarHBondContact O-CA 3.25Å; L311-E315 WeakPolarHBondContact O-CB 3.34Å; L311-E315 PolarHBondContact O-N 2.91Å; L311-Y317 HydrophobicContact CB-CD2 3.8Å; L311-Y317 HydrophobicContact CB-CE2 3.82Å; L311-Y317 HydrophobicContact CD1-CD1 4.33Å; L311-Y317 HydrophobicContact CD1-CD2 3.76Å; L311-Y317 HydrophobicContact CD1-CE2 4.08Å; L311-Y317 HydrophobicContact CD1-CG 3.88Å; L311-Y317 HydrophobicContact CG-CD2 3.97Å; L311-Y317 HydrophobicContact CG-CE2 4.39Å; L311-Y317 HydrophobicContact CG-CG 4.45Å; L311-A323 HydrophobicContact CD1-CB 4.45Å; L311-P345 HydrophobicContact CB-CB 3.95Å; L311-P345 HydrophobicContact CB-CG 4.43Å; L311-P345 HydrophobicContact CD1-CB 4.47Å; L311-P345 HydrophobicContact CD1-CG 4.27Å; L311-P345 HydrophobicContact CD2-CB 4.22Å; L311-P345 HydrophobicContact CD2-CG 3.78Å; L311-P345 HydrophobicContact CG-CB 4.43Å; L311-P345 HydrophobicContact CG-CG 4.38Å
312	Y	91.6	Very high	93.6	Very high	18 Å²	18	55.8 Å²	55.8	7%	0.071	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	59.4	179.1	-59.6	-63.8	0	0	0	112.1	F202 V203 Y266 S314 Y317 P345 Y346	F202-Y312 HydrophobicContact CB-CD2 4.32Å; F202-Y312 HydrophobicContact CB-CE2 3.62Å; F202-Y312 HydrophobicContact CD2-CE2 4.4Å; F202-Y312 WeakPolarHBondContact CD2-OH 3.12Å; F202-Y312 HydrophobicContact CG-CE2 4.26Å; V203-Y312 PolarHBondContact O-OH 2.9Å; Y266-Y312 HydrophobicContact CD2-CE2 4.34Å; Y266-Y312 AromaticContact CE2-CE2 3.87Å; Y266-Y312 HydrophobicContact CE2-CE2 3.87Å; Y266-Y312 WeakPolarHBondContact CE2-OH 3.42Å; Y312-S314 VanDerWaalsContact C-N 3.26Å; Y312-S314 PolarHBondContact O-N 2.68Å; Y312-Y317 HydrophobicContact CD2-CE2 4.12Å; Y312-Y317 WeakPolarHBondContact CD2-OH 3.49Å; Y312-Y317 WeakPolarHBondContact CE2-OH 3.05Å; Y312-P345 HydrophobicContact CD1-CB 4.08Å; Y312-P345 HydrophobicContact CD2-CB 4.27Å; Y312-P345 HydrophobicContact CE1-CB 3.86Å; Y312-P345 HydrophobicContact CE2-CB 4.03Å; Y312-P345 HydrophobicContact CG-CB 4.31Å; Y312-Y346 WeakPolarHBondContact CA-O 3.49Å; Y312-Y346 AromaticContact CD1-CD1 3.72Å; Y312-Y346 HydrophobicContact CD1-CD1 3.72Å; Y312-Y346 AromaticContact CD1-CE1 3.54Å; Y312-Y346 HydrophobicContact CD1-CE1 3.54Å; Y312-Y346 HydrophobicContact CD1-CE2 4.46Å; Y312-Y346 HydrophobicContact CD1-CG 4.25Å; Y312-Y346 AromaticContact CD1-CZ 3.93Å; Y312-Y346 HydrophobicContact CE1-CD1 4.29Å; Y312-Y346 HydrophobicContact CE1-CE1 4.28Å; Y312-Y346 HydrophobicContact CG-CE1 4.46Å; Y312-Y346 PolarHBondContact N-O 3.03Å
313	G	83.4	Confident	93.7	Very high	27 Å²	27	54.6 Å²	54.6	28%	0.278	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	-70.3	-174.9	0	0	0	0	0	113.1	L311 Y346	L311-G313 PolarHBondContact O-N 3.23Å; G313-Y346 PolarHBondContact N-O 2.9Å; G313-Y346 VanDerWaalsContact N-O 3.08Å
314	S	87	Confident	93.8	Very high	90 Å²	90	50.3 Å²	50.3	63%	0.629	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.7	10.7	-174.4	64.8	0	0	0	0	116	Y312 V316	Y312-S314 VanDerWaalsContact C-N 3.26Å; Y312-S314 PolarHBondContact O-N 2.68Å; S314-V316 PolarHBondContact O-N 3.39Å
315	E	91.3	Very high	93.9	Very high	74 Å²	74	46.6 Å²	46.6	35%	0.346	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.5	174.7	-77.2	-144.9	-160.1	0	0	111.9	R200 N310 L311 Y317	R200-E315 IonicContact CZ-OE2 2.94Å; R200-E315 IonicContact NE-OE2 2.74Å; R200-E315 PolarHBondContact NE-OE2 2.69Å; R200-E315 IonicContact NH2-OE2 2.76Å; R200-E315 PolarHBondContact NH2-OE2 2.81Å; N310-E315 WeakPolarHBondContact CA-O 3.39Å; L311-E315 PolarHBondContact N-O 2.99Å; L311-E315 WeakPolarHBondContact O-CA 3.25Å; L311-E315 WeakPolarHBondContact O-CB 3.34Å; L311-E315 PolarHBondContact O-N 2.91Å; E315-Y317 HydrophobicContact CB-CD2 4.3Å; E315-Y317 HydrophobicContact CB-CE2 3.86Å
316	V	94.9	Very high	94	Very high	61 Å²	61	46.8 Å²	46.8	37%	0.37	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.4	-178.3	-177.6	0	0	0	0	110.6	R200 K308 S314	R200-V316 PolarHBondContact NH2-O 3.15Å; K308-V316 HydrophobicContact CB-CG1 4.21Å; K308-V316 HydrophobicContact CD-CG1 3.8Å; K308-V316 HydrophobicContact CG-CG1 4.22Å; S314-V316 PolarHBondContact O-N 3.39Å
317	Y	96.3	Very high	94	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	157.5	172.4	-73.5	-107.5	0	0	0	110.7	E264 Y266 K308 I309 L311 Y312 E315	E264-Y317 WeakPolarHBondContact O-CD1 3.47Å; Y266-Y317 HydrophobicContact CD2-CE1 4.15Å; K308-Y317 VanDerWaalsContact CA-O 3.28Å; K308-Y317 WeakPolarHBondContact CA-O 3.48Å; I309-Y317 PolarHBondContact N-O 3.47Å; I309-Y317 PolarHBondContact O-N 3.43Å; L311-Y317 HydrophobicContact CB-CD2 3.8Å; L311-Y317 HydrophobicContact CB-CE2 3.82Å; L311-Y317 HydrophobicContact CD1-CD1 4.33Å; L311-Y317 HydrophobicContact CD1-CD2 3.76Å; L311-Y317 HydrophobicContact CD1-CE2 4.08Å; L311-Y317 HydrophobicContact CD1-CG 3.88Å; L311-Y317 HydrophobicContact CG-CD2 3.97Å; L311-Y317 HydrophobicContact CG-CE2 4.39Å; L311-Y317 HydrophobicContact CG-CG 4.45Å; Y312-Y317 HydrophobicContact CD2-CE2 4.12Å; Y312-Y317 WeakPolarHBondContact CD2-OH 3.49Å; Y312-Y317 WeakPolarHBondContact CE2-OH 3.05Å; E315-Y317 HydrophobicContact CB-CD2 4.3Å; E315-Y317 HydrophobicContact CB-CE2 3.86Å
318	A	96.3	Very high	94	Very high	25 Å²	25	40.3 Å²	40.3	21%	0.207	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	139.4	162.7	0	0	0	0	0	109.5	E264 T265	E264-A318 HydrophobicContact CB-CB 3.96Å; E264-A318 PolarHBondContact O-N 3.44Å; T265-A318 HydrophobicContact CG2-CB 3.88Å
319	Y	96.8	Very high	94	Very high	28 Å²	28	34.1 Å²	34.1	11%	0.11	19%	0.193	C	C	.	.			trans	-67.4	139	-178.3	175.7	-83.8	0	0	0	111.8	T305 P306 T307 I309 C324 T440	T305-Y319 HydrophobicContact CG2-CD1 3.71Å; T305-Y319 HydrophobicContact CG2-CE1 3.32Å; P306-Y319 HydrophobicContact CB-CD2 3.96Å; P306-Y319 HydrophobicContact CB-CE2 4.39Å; P306-Y319 HydrophobicContact CB-CG 4.39Å; P306-Y319 HydrophobicContact CG-CD2 4.38Å; P306-Y319 HydrophobicContact CG-CE2 4.33Å; P306-Y319 WeakPolarHBondContact O-CB 3.47Å; P306-Y319 WeakPolarHBondContact O-CD1 3.46Å; T307-Y319 PolarHBondContact O-N 2.86Å; I309-Y319 HydrophobicContact CB-CD2 4.46Å; Y319-C324 HydrophobicContact CE2-CB 3.63Å; Y319-T440 VanDerWaalsContact CE1-O 3.22Å; Y319-T440 WeakPolarHBondContact CE1-O 3.42Å; Y319-T440 PolarHBondContact OH-N 3.08Å; Y319-T440 VanDerWaalsContact OH-N 3.12Å; Y319-T440 PolarHBondContact OH-O 3.02Å
320	S	95.1	Very high	94	Very high	24 Å²	24	33 Å²	33	17%	0.168	19%	0.187	C	C	.	.			trans	-141.3	156.7	164.3	72.5	0	0	0	0	110	H322 A323 C324	S320-H322 VanDerWaalsContact C-N 3.26Å; S320-H322 PolarHBondContact O-N 3.12Å; S320-A323 PolarHBondContact O-N 2.95Å; S320-A323 VanDerWaalsContact O-N 3.15Å; S320-A323 VanDerWaalsContact OG-CB 3.32Å; S320-A323 WeakPolarHBondContact OG-CB 3.38Å; S320-A323 PolarHBondContact OG-N 3.4Å; S320-C324 PolarHBondContact O-N 3.32Å
321	E	92.9	Very high	94	Very high	54 Å²	54	30.5 Å²	30.5	25%	0.252	18%	0.18	S	C	.	.	H	α-helix	trans	-59	-40	176.7	-173.3	177.7	-178.6	0	0	111.1	C324 R325 C439 L441	E321-C324 PolarHBondContact O-N 3.07Å; E321-R325 WeakPolarHBondContact O-CB 3.48Å; E321-R325 PolarHBondContact O-N 3.36Å; E321-C439 HydrophobicContact CG-CB 4.3Å; E321-L441 HydrophobicContact CB-CD1 4.27Å
322	H	94	Very high	94.1	Very high	42 Å²	42	34.3 Å²	34.3	19%	0.194	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-49.7	172	172.2	98.3	0	0	0	111.9	Y266 D268 S320 C324 R325 M326	Y266-H322 AromaticContact CD1-CD2 3.66Å; Y266-H322 AromaticContact CD1-NE2 3.44Å; Y266-H322 WeakPolarHBondContact CD1-NE2 3.32Å; Y266-H322 AromaticContact CE1-NE2 3.52Å; D268-H322 VanDerWaalsContact CB-CE1 3.48Å; D268-H322 WeakPolarHBondContact CB-CE1 3.33Å; D268-H322 IonicContact OD1-CE1 3.63Å; D268-H322 IonicContact OD2-CE1 3.06Å; D268-H322 PolarHBondContact OD2-CE1 3.26Å; D268-H322 IonicContact OD2-ND1 2.78Å; D268-H322 PolarHBondContact OD2-ND1 2.98Å; S320-H322 VanDerWaalsContact C-N 3.26Å; S320-H322 PolarHBondContact O-N 3.12Å; H322-C324 VanDerWaalsContact C-N 3.3Å; H322-C324 PolarHBondContact O-N 3.09Å; H322-R325 WeakPolarHBondContact O-CB 3.43Å; H322-R325 PolarHBondContact O-N 2.77Å; H322-R325 VanDerWaalsContact O-N 3.1Å; H322-M326 WeakPolarHBondContact NE2-CG 3.39Å; H322-M326 WeakPolarHBondContact O-CG 3.27Å; H322-M326 PolarHBondContact O-N 3.35Å
323	A	95.9	Very high	94.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-41.3	179.5	0	0	0	0	0	111.8	I309 L311 S320 S327	I309-A323 HydrophobicContact CG2-CB 4.07Å; L311-A323 HydrophobicContact CD1-CB 4.45Å; S320-A323 PolarHBondContact O-N 2.95Å; S320-A323 VanDerWaalsContact O-N 3.15Å; S320-A323 VanDerWaalsContact OG-CB 3.32Å; S320-A323 WeakPolarHBondContact OG-CB 3.38Å; S320-A323 PolarHBondContact OG-N 3.4Å; A323-S327 VanDerWaalsContact O-CB 3.29Å; A323-S327 WeakPolarHBondContact O-CB 3.46Å; A323-S327 PolarHBondContact O-N 2.76Å
324	C	96.1	Very high	95	Very high	12 Å²	12	33.2 Å²	33.2	8%	0.081	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-42	173.8	178.6	0	0	0	0	112.3	I309 Y319 S320 E321 H322 T328 C439	I309-C324 HydrophobicContact CD1-CB 4.43Å; Y319-C324 HydrophobicContact CE2-CB 3.63Å; S320-C324 PolarHBondContact O-N 3.32Å; E321-C324 PolarHBondContact O-N 3.07Å; H322-C324 VanDerWaalsContact C-N 3.3Å; H322-C324 PolarHBondContact O-N 3.09Å; C324-T328 VanDerWaalsContact O-CB 3.25Å; C324-T328 WeakPolarHBondContact O-CB 3.5Å; C324-T328 PolarHBondContact O-N 2.67Å; C324-T328 PolarHBondContact O-OG1 2.74Å; C324-C439 HydrophobicContact CB-CB 3.72Å; C324-C439 WeakPolarHBondContact CB-SG 3.44Å; C324-C439 WeakPolarHBondContact SG-CA 3.46Å; C324-C439 WeakPolarHBondContact SG-CB 3.16Å; C324-C439 CovalentContact SG-SG 2.04Å; C324-C439 PolarHBondContact SG-SG 3.07Å
325	R	95	Very high	95.5	Very high	60 Å²	60	32.9 Å²	32.9	23%	0.226	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-51.7	175.9	-175.7	-174.1	-170.8	120.3	4.7	111	E321 H322 S327 T328 I329 Y431 G433 D434 V436	E321-R325 WeakPolarHBondContact O-CB 3.48Å; E321-R325 PolarHBondContact O-N 3.36Å; H322-R325 WeakPolarHBondContact O-CB 3.43Å; H322-R325 PolarHBondContact O-N 2.77Å; H322-R325 VanDerWaalsContact O-N 3.1Å; R325-S327 PolarHBondContact O-N 2.82Å; R325-T328 PolarHBondContact O-N 3.19Å; R325-I329 HydrophobicContact CG-CD1 3.99Å; R325-I329 VanDerWaalsContact O-CG1 3.29Å; R325-I329 WeakPolarHBondContact O-CG1 3.4Å; R325-I329 PolarHBondContact O-N 3.15Å; R325-Y431 PolarHBondContact NH2-O 2.93Å; R325-G433 PolarHBondContact NH2-O 3.17Å; R325-D434 PolarHBondContact NH1-O 3.13Å; R325-V436 HydrophobicContact CB-CG2 4.47Å; R325-V436 HydrophobicContact CG-CG2 3.94Å
326	M	95.2	Very high	95.7	Very high	22 Å²	22	34.1 Å²	34.1	11%	0.108	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-45.5	179.9	-61.2	-56.3	110.5	0	0	111.6	Y266 H322 I329 Q330 F344 P345	Y266-M326 HydrophobicContact CE1-CG 4.27Å; H322-M326 WeakPolarHBondContact NE2-CG 3.39Å; H322-M326 WeakPolarHBondContact O-CG 3.27Å; H322-M326 PolarHBondContact O-N 3.35Å; M326-I329 HydrophobicContact CE-CD1 4.42Å; M326-I329 PolarHBondContact O-N 3.14Å; M326-Q330 PolarHBondContact O-N 3.23Å; M326-F344 HydrophobicContact CB-CD1 4.26Å; M326-F344 HydrophobicContact SD-CD1 3.63Å; M326-F344 HydrophobicContact SD-CE1 3.74Å; M326-P345 HydrophobicContact CB-CG 4.29Å
327	S	95.6	Very high	95.8	Very high	21 Å²	21	32.3 Å²	32.3	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-42.6	175.8	-175.5	0	0	0	0	112.4	A323 R325 I329 Q330 A331 I347	A323-S327 VanDerWaalsContact O-CB 3.29Å; A323-S327 WeakPolarHBondContact O-CB 3.46Å; A323-S327 PolarHBondContact O-N 2.76Å; R325-S327 PolarHBondContact O-N 2.82Å; S327-I329 PolarHBondContact O-N 3.27Å; S327-Q330 PolarHBondContact O-N 3.33Å; S327-A331 WeakPolarHBondContact O-CB 3.04Å; S327-A331 PolarHBondContact O-N 3.24Å; S327-I347 WeakPolarHBondContact O-CD1 3.48Å
328	T	95.6	Very high	95.8	Very high	29 Å²	29	33.9 Å²	33.9	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-40.9	178.3	-58.9	0	0	0	0	111.7	C324 R325 K332 Y431 V436	C324-T328 VanDerWaalsContact O-CB 3.25Å; C324-T328 WeakPolarHBondContact O-CB 3.5Å; C324-T328 PolarHBondContact O-N 2.67Å; C324-T328 PolarHBondContact O-OG1 2.74Å; R325-T328 PolarHBondContact O-N 3.19Å; T328-K332 WeakPolarHBondContact O-CB 3.42Å; T328-K332 PolarHBondContact O-N 2.97Å; T328-Y431 HydrophobicContact CG2-CE1 3.91Å; T328-V436 HydrophobicContact CG2-CG1 3.92Å
329	I	95.5	Very high	95.8	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-48.5	175.6	-65.9	163.3	0	0	0	110	R325 M326 S327 A331 K332 I333 F344 T428 Y431	R325-I329 HydrophobicContact CG-CD1 3.99Å; R325-I329 VanDerWaalsContact O-CG1 3.29Å; R325-I329 WeakPolarHBondContact O-CG1 3.4Å; R325-I329 PolarHBondContact O-N 3.15Å; M326-I329 HydrophobicContact CE-CD1 4.42Å; M326-I329 PolarHBondContact O-N 3.14Å; S327-I329 PolarHBondContact O-N 3.27Å; I329-A331 PolarHBondContact O-N 3.26Å; I329-K332 PolarHBondContact O-N 3.28Å; I329-I333 HydrophobicContact CG2-CD1 3.85Å; I329-I333 HydrophobicContact CG2-CG1 4.42Å; I329-I333 WeakPolarHBondContact O-CG1 3.36Å; I329-I333 PolarHBondContact O-N 3.34Å; I329-F344 HydrophobicContact CB-CE1 4.31Å; I329-F344 HydrophobicContact CB-CZ 4.33Å; I329-F344 HydrophobicContact CD1-CE1 4.13Å; I329-F344 HydrophobicContact CD1-CZ 4.44Å; I329-F344 HydrophobicContact CG2-CD1 4.41Å; I329-F344 HydrophobicContact CG2-CD2 4Å; I329-F344 HydrophobicContact CG2-CE1 3.95Å; I329-F344 HydrophobicContact CG2-CE2 3.5Å; I329-F344 VanDerWaalsContact CG2-CE2 3.5Å; I329-F344 HydrophobicContact CG2-CG 4.45Å; I329-F344 HydrophobicContact CG2-CZ 3.48Å; I329-F344 VanDerWaalsContact CG2-CZ 3.48Å; I329-T428 HydrophobicContact CG2-CG2 4.04Å; I329-Y431 HydrophobicContact CD1-CG 4.27Å; I329-Y431 HydrophobicContact CG1-CD1 3.94Å; I329-Y431 HydrophobicContact CG1-CD2 3.9Å; I329-Y431 HydrophobicContact CG1-CE1 4.48Å; I329-Y431 HydrophobicContact CG1-CE2 4.45Å; I329-Y431 HydrophobicContact CG1-CG 3.62Å
330	Q	96	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-45.5	178.1	-172.1	63.4	94.8	0	0	111.9	M326 S327 K332 I333 N334 A341 F344 I347	M326-Q330 PolarHBondContact O-N 3.23Å; S327-Q330 PolarHBondContact O-N 3.33Å; Q330-K332 PolarHBondContact O-N 3.18Å; Q330-I333 PolarHBondContact O-N 3.05Å; Q330-I333 VanDerWaalsContact O-N 3.13Å; Q330-N334 PolarHBondContact NE2-OD1 2.89Å; Q330-N334 PolarHBondContact O-N 3.14Å; Q330-N334 PolarHBondContact O-OD1 2.86Å; Q330-A341 PolarHBondContact OE1-O 3.31Å; Q330-F344 HydrophobicContact CB-CB 3.88Å; Q330-F344 HydrophobicContact CG-CB 4.4Å; Q330-I347 HydrophobicContact CB-CD1 4.16Å; Q330-I347 HydrophobicContact CG-CD1 4.36Å; Q330-I347 HydrophobicContact CG-CG1 4.29Å
331	A	95.9	Very high	95.8	Very high	44 Å²	44	30.3 Å²	30.3	36%	0.364	18%	0.175	S	C	.	.	H	α-helix	trans	-57.7	-33.9	175.5	0	0	0	0	0	112.3	S327 I329 S335 I347	S327-A331 WeakPolarHBondContact O-CB 3.04Å; S327-A331 PolarHBondContact O-N 3.24Å; I329-A331 PolarHBondContact O-N 3.26Å; A331-S335 WeakPolarHBondContact O-CB 3.4Å; A331-S335 PolarHBondContact O-N 2.91Å; A331-S335 VanDerWaalsContact O-N 3.13Å; A331-S335 PolarHBondContact O-OG 2.8Å; A331-I347 HydrophobicContact CB-CD1 3.87Å
332	K	96	Very high	95.9	Very high	80 Å²	80	28.7 Å²	28.7	35%	0.348	17%	0.168	S	C	.	.	H	α-helix	trans	-76.3	-34.4	177.2	-164.8	50.5	169.3	160.8	0	113.4	T328 I329 Q330 S335 L336 V427 Y431	T328-K332 WeakPolarHBondContact O-CB 3.42Å; T328-K332 PolarHBondContact O-N 2.97Å; I329-K332 PolarHBondContact O-N 3.28Å; Q330-K332 PolarHBondContact O-N 3.18Å; K332-S335 WeakPolarHBondContact CA-OG 3.27Å; K332-S335 PolarHBondContact O-OG 3.4Å; K332-L336 HydrophobicContact CD-CD1 3.92Å; K332-L336 HydrophobicContact CD-CG 4.18Å; K332-L336 VanDerWaalsContact CE-CD1 3.41Å; K332-L336 HydrophobicContact CG-CD1 4.24Å; K332-L336 WeakPolarHBondContact O-CB 3.33Å; K332-L336 PolarHBondContact O-N 3.06Å; K332-V427 HydrophobicContact CB-CG1 3.98Å; K332-V427 HydrophobicContact CG-CG1 3.8Å; K332-Y431 HydrophobicContact CB-CE2 4.08Å; K332-Y431 HydrophobicContact CG-CE2 4.02Å
333	I	97.1	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-46.5	170.9	-61.9	165.9	0	0	0	109.9	I329 Q330 S335 L336 C337 G338 C339 A341 F344 K424 V427 T428	I329-I333 HydrophobicContact CG2-CD1 3.85Å; I329-I333 HydrophobicContact CG2-CG1 4.42Å; I329-I333 WeakPolarHBondContact O-CG1 3.36Å; I329-I333 PolarHBondContact O-N 3.34Å; Q330-I333 PolarHBondContact O-N 3.05Å; Q330-I333 VanDerWaalsContact O-N 3.13Å; I333-S335 VanDerWaalsContact C-N 3.28Å; I333-S335 PolarHBondContact O-N 2.85Å; I333-L336 PolarHBondContact O-N 3.4Å; I333-C337 HydrophobicContact CG2-CB 4.04Å; I333-C337 WeakPolarHBondContact O-CA 3.26Å; I333-C337 WeakPolarHBondContact O-CB 3.27Å; I333-C337 PolarHBondContact O-N 3.27Å; I333-G338 PolarHBondContact O-N 2.89Å; I333-C339 WeakPolarHBondContact CG2-O 3.23Å; I333-A341 HydrophobicContact CD1-CB 4.36Å; I333-F344 HydrophobicContact CD1-CD2 3.8Å; I333-F344 HydrophobicContact CD1-CE2 3.63Å; I333-K424 HydrophobicContact CD1-CG 4.19Å; I333-V427 HydrophobicContact CG1-CB 4.28Å; I333-V427 HydrophobicContact CG1-CG1 3.78Å; I333-T428 HydrophobicContact CD1-CG2 4.34Å
334	N	96.9	Very high	95.8	Very high	23 Å²	23	30.9 Å²	30.9	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-39	179.3	-69.8	34.3	0	0	0	111.8	Q330 G338 C339 N340 L351	Q330-N334 PolarHBondContact NE2-OD1 2.89Å; Q330-N334 PolarHBondContact O-N 3.14Å; Q330-N334 PolarHBondContact O-OD1 2.86Å; N334-G338 PolarHBondContact O-N 2.96Å; N334-C339 PolarHBondContact OD1-O 3.34Å; N334-C339 VanDerWaalsContact OD1-O 3.08Å; N334-N340 PolarHBondContact ND2-OD1 2.9Å; N334-N340 PolarHBondContact OD1-OD1 3.2Å; N334-L351 HydrophobicContact CB-CD1 3.79Å
335	S	96.6	Very high	95.8	Very high	82 Å²	82	30.3 Å²	30.3	57%	0.573	17%	0.174	S	C	*	.	H	α-helix	trans	-84.3	-13.6	-177.5	55.1	0	0	0	0	115.8	A331 K332 I333	A331-S335 WeakPolarHBondContact O-CB 3.4Å; A331-S335 PolarHBondContact O-N 2.91Å; A331-S335 VanDerWaalsContact O-N 3.13Å; A331-S335 PolarHBondContact O-OG 2.8Å; K332-S335 WeakPolarHBondContact CA-OG 3.27Å; K332-S335 PolarHBondContact O-OG 3.4Å; I333-S335 VanDerWaalsContact C-N 3.28Å; I333-S335 PolarHBondContact O-N 2.85Å
336	L	96.7	Very high	95.7	Very high	101 Å²	101	31 Å²	31	53%	0.529	18%	0.177	S	C	.	.	H	α-helix	trans	-113.5	-36	176.4	-71.3	-179.4	0	0	0	113.9	K332 I333 V427	K332-L336 HydrophobicContact CD-CD1 3.92Å; K332-L336 HydrophobicContact CD-CG 4.18Å; K332-L336 VanDerWaalsContact CE-CD1 3.41Å; K332-L336 HydrophobicContact CG-CD1 4.24Å; K332-L336 WeakPolarHBondContact O-CB 3.33Å; K332-L336 PolarHBondContact O-N 3.06Å; I333-L336 PolarHBondContact O-N 3.4Å; L336-V427 HydrophobicContact CB-CG2 4.34Å; L336-V427 HydrophobicContact CD1-CG2 3.73Å
337	C	96.5	Very high	95.3	Very high	22 Å²	22	33.1 Å²	33.1	15%	0.149	19%	0.188	C	C	.	.	H	α-helix	trans	-108.5	-12.3	-172.4	-46.5	0	0	0	0	113.3	I333 C339 C423	I333-C337 HydrophobicContact CG2-CB 4.04Å; I333-C337 WeakPolarHBondContact O-CA 3.26Å; I333-C337 WeakPolarHBondContact O-CB 3.27Å; I333-C337 PolarHBondContact O-N 3.27Å; C337-C339 VanDerWaalsContact C-N 3.3Å; C337-C339 PolarHBondContact O-N 3.24Å; C337-C423 WeakPolarHBondContact CA-SG 3.44Å; C337-C423 HydrophobicContact CB-CB 3.81Å; C337-C423 WeakPolarHBondContact CB-SG 3.25Å; C337-C423 WeakPolarHBondContact SG-CB 3.29Å; C337-C423 CovalentContact SG-SG 2.04Å; C337-C423 PolarHBondContact SG-SG 3.48Å
338	G	96.2	Very high	94.9	Very high	34 Å²	34	35.4 Å²	35.4	35%	0.351	20%	0.199	S	C	.	.	S	Bend	trans	68.5	21.5	176.1	0	0	0	0	0	115.2	I333 N334	I333-G338 PolarHBondContact O-N 2.89Å; N334-G338 PolarHBondContact O-N 2.96Å
339	C	96.8	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.			trans	-139.8	155.9	-177.9	60	0	0	0	0	112.5	I333 N334 C337 P352 C354	I333-C339 WeakPolarHBondContact CG2-O 3.23Å; N334-C339 PolarHBondContact OD1-O 3.34Å; N334-C339 VanDerWaalsContact OD1-O 3.08Å; C337-C339 VanDerWaalsContact C-N 3.3Å; C337-C339 PolarHBondContact O-N 3.24Å; C339-P352 CarbonylContact C-O 3.51Å; C339-P352 WeakPolarHBondContact CA-O 3.43Å; C339-P352 VanDerWaalsContact CB-O 3.31Å; C339-P352 WeakPolarHBondContact CB-O 3.43Å; C339-C354 HydrophobicContact CB-CB 3.95Å; C339-C354 WeakPolarHBondContact CB-SG 3.48Å; C339-C354 WeakPolarHBondContact SG-CA 3.49Å; C339-C354 WeakPolarHBondContact SG-CB 3.11Å; C339-C354 CovalentContact SG-SG 2.05Å; C339-C354 PolarHBondContact SG-SG 3.24Å
340	N	96	Very high	94.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.011	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-88.4	153.2	167.7	-66.8	-61.5	0	0	0	110.5	N334 N348 L351 P352 F353 C354	N334-N340 PolarHBondContact ND2-OD1 2.9Å; N334-N340 PolarHBondContact OD1-OD1 3.2Å; N340-N348 PolarHBondContact ND2-O 3.37Å; N340-L351 PolarHBondContact ND2-O 3.25Å; N340-P352 PolarHBondContact N-O 3.21Å; N340-F353 HydrophobicContact CB-CD1 3.98Å; N340-F353 HydrophobicContact CB-CE1 3.92Å; N340-F353 CarbonylContact O-C 3.53Å; N340-F353 WeakPolarHBondContact O-CA 3.44Å; N340-F353 WeakPolarHBondContact O-CD1 3.41Å; N340-C354 PolarHBondContact O-N 2.76Å; N340-C354 PolarHBondContact O-SG 3.4Å
341	A	96	Very high	94.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.267	C	S	.	.			trans	-129.7	120.4	177.3	0	0	0	0	0	110.3	E157 Q330 I333 E343 F344 K424	E157-A341 WeakPolarHBondContact OE1-CA 3.25Å; Q330-A341 PolarHBondContact OE1-O 3.31Å; I333-A341 HydrophobicContact CD1-CB 4.36Å; A341-E343 PolarHBondContact O-N 3.3Å; A341-F344 HydrophobicContact CB-CD2 4.22Å; A341-F344 PolarHBondContact O-N 3.37Å; A341-F344 VanDerWaalsContact O-O 3.12Å; A341-K424 HydrophobicContact CB-CD 4.25Å
342	I	93.8	Very high	94.1	Very high	20 Å²	20	47.7 Å²	47.7	10%	0.103	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-11.7	-165.9	-158.7	172.3	0	0	0	115.1	L156 E157 V203 A205 F344 F353	L156-I342 HydrophobicContact CB-CD1 3.67Å; L156-I342 HydrophobicContact CD1-CD1 4.31Å; E157-I342 HydrophobicContact CG-CB 3.77Å; E157-I342 HydrophobicContact CG-CD1 4.34Å; E157-I342 HydrophobicContact CG-CG2 3.75Å; E157-I342 WeakPolarHBondContact OE1-CB 3.4Å; E157-I342 WeakPolarHBondContact OE1-CG2 3.02Å; E157-I342 PolarHBondContact OE1-N 3.01Å; V203-I342 HydrophobicContact CG1-CD1 4.1Å; V203-I342 HydrophobicContact CG1-CG1 4.37Å; A205-I342 HydrophobicContact CB-CG2 3.72Å; I342-F344 VanDerWaalsContact C-N 3.27Å; I342-F353 HydrophobicContact CB-CE1 4.28Å
343	E	93.2	Very high	94.1	Very high	68 Å²	68	44.9 Å²	44.9	32%	0.318	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.2	170.8	70.7	-155.6	-156.4	0	0	113.4	A205 A341 K424	A205-E343 HydrophobicContact CB-CB 4.4Å; A341-E343 PolarHBondContact O-N 3.3Å; E343-K424 WeakPolarHBondContact OE1-CE 3.35Å; E343-K424 IonicContact OE1-NZ 3.29Å; E343-K424 PolarHBondContact OE1-NZ 2.77Å; E343-K424 WeakPolarHBondContact OE2-CE 3.34Å; E343-K424 IonicContact OE2-NZ 2.96Å; E343-K424 PolarHBondContact OE2-NZ 3.12Å
344	F	95.4	Very high	94	Very high	20 Å²	20	44.9 Å²	44.9	9%	0.088	25%	0.252	C	S	.	.	S	Bend	trans	-118.6	153.8	174.3	-51.6	-62.9	0	0	0	110.7	M326 I329 Q330 I333 A341 I342 Y346 T428	M326-F344 HydrophobicContact CB-CD1 4.26Å; M326-F344 HydrophobicContact SD-CD1 3.63Å; M326-F344 HydrophobicContact SD-CE1 3.74Å; I329-F344 HydrophobicContact CB-CE1 4.31Å; I329-F344 HydrophobicContact CB-CZ 4.33Å; I329-F344 HydrophobicContact CD1-CE1 4.13Å; I329-F344 HydrophobicContact CD1-CZ 4.44Å; I329-F344 HydrophobicContact CG2-CD1 4.41Å; I329-F344 HydrophobicContact CG2-CD2 4Å; I329-F344 HydrophobicContact CG2-CE1 3.95Å; I329-F344 HydrophobicContact CG2-CE2 3.5Å; I329-F344 VanDerWaalsContact CG2-CE2 3.5Å; I329-F344 HydrophobicContact CG2-CG 4.45Å; I329-F344 HydrophobicContact CG2-CZ 3.48Å; I329-F344 VanDerWaalsContact CG2-CZ 3.48Å; Q330-F344 HydrophobicContact CB-CB 3.88Å; Q330-F344 HydrophobicContact CG-CB 4.4Å; I333-F344 HydrophobicContact CD1-CD2 3.8Å; I333-F344 HydrophobicContact CD1-CE2 3.63Å; A341-F344 HydrophobicContact CB-CD2 4.22Å; A341-F344 PolarHBondContact O-N 3.37Å; A341-F344 VanDerWaalsContact O-O 3.12Å; I342-F344 VanDerWaalsContact C-N 3.27Å; F344-Y346 PolarHBondContact O-N 3.19Å; F344-T428 HydrophobicContact CE2-CG2 4.09Å; F344-T428 HydrophobicContact CZ-CG2 4.07Å
345	P	95	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.249	C	C	.	.			trans	-68.8	118.8	174.6	26.6	-32.5	0	0	0	111	Y266 L311 Y312 M326	Y266-P345 HydrophobicContact CE2-CB 4.41Å; Y266-P345 HydrophobicContact CE2-CG 4.47Å; L311-P345 HydrophobicContact CB-CB 3.95Å; L311-P345 HydrophobicContact CB-CG 4.43Å; L311-P345 HydrophobicContact CD1-CB 4.47Å; L311-P345 HydrophobicContact CD1-CG 4.27Å; L311-P345 HydrophobicContact CD2-CB 4.22Å; L311-P345 HydrophobicContact CD2-CG 3.78Å; L311-P345 HydrophobicContact CG-CB 4.43Å; L311-P345 HydrophobicContact CG-CG 4.38Å; Y312-P345 HydrophobicContact CD1-CB 4.08Å; Y312-P345 HydrophobicContact CD2-CB 4.27Å; Y312-P345 HydrophobicContact CE1-CB 3.86Å; Y312-P345 HydrophobicContact CE2-CB 4.03Å; Y312-P345 HydrophobicContact CG-CB 4.31Å; M326-P345 HydrophobicContact CB-CG 4.29Å
346	Y	92.8	Very high	93.9	Very high	76 Å²	76	44 Å²	44	30%	0.298	24%	0.238	S	C	.	.			trans	-61.3	146.4	-179.6	60.2	-104.1	0	0	0	112.5	Y312 G313 F344 E349	Y312-Y346 WeakPolarHBondContact CA-O 3.49Å; Y312-Y346 AromaticContact CD1-CD1 3.72Å; Y312-Y346 HydrophobicContact CD1-CD1 3.72Å; Y312-Y346 AromaticContact CD1-CE1 3.54Å; Y312-Y346 HydrophobicContact CD1-CE1 3.54Å; Y312-Y346 HydrophobicContact CD1-CE2 4.46Å; Y312-Y346 HydrophobicContact CD1-CG 4.25Å; Y312-Y346 AromaticContact CD1-CZ 3.93Å; Y312-Y346 HydrophobicContact CE1-CD1 4.29Å; Y312-Y346 HydrophobicContact CE1-CE1 4.28Å; Y312-Y346 HydrophobicContact CG-CE1 4.46Å; Y312-Y346 PolarHBondContact N-O 3.03Å; G313-Y346 PolarHBondContact N-O 2.9Å; G313-Y346 VanDerWaalsContact N-O 3.08Å; F344-Y346 PolarHBondContact O-N 3.19Å; Y346-E349 HydrophobicContact CD2-CG 3.9Å; Y346-E349 HydrophobicContact CE2-CG 3.58Å
347	I	88.4	Confident	93.8	Very high	66 Å²	66	39.2 Å²	39.2	34%	0.338	21%	0.213	S	C	.	.	S	Bend	trans	-112.8	-33.3	-177.3	-59	174	0	0	0	111.4	S327 Q330 A331	S327-I347 WeakPolarHBondContact O-CD1 3.48Å; Q330-I347 HydrophobicContact CB-CD1 4.16Å; Q330-I347 HydrophobicContact CG-CD1 4.36Å; Q330-I347 HydrophobicContact CG-CG1 4.29Å; A331-I347 HydrophobicContact CB-CD1 3.87Å
348	N	87.6	Confident	93.7	Very high	69 Å²	69	40.2 Å²	40.2	37%	0.369	22%	0.22	S	C	.	.			trans	-126	105.1	179	-178	-0.4	0	0	0	110	N340 S350 L351	N340-N348 PolarHBondContact ND2-O 3.37Å; N348-S350 PolarHBondContact O-N 3.13Å; N348-S350 VanDerWaalsContact O-N 3.15Å; N348-S350 WeakPolarHBondContact OD1-CB 3.49Å; N348-S350 PolarHBondContact OD1-N 3.42Å; N348-L351 HydrophobicContact CB-CD1 4.41Å; N348-L351 HydrophobicContact CB-CG 4.44Å; N348-L351 PolarHBondContact O-N 3.39Å
349	E	87.5	Confident	93.6	Very high	136 Å²	136	38.6 Å²	38.6	64%	0.636	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.1	178.7	-68.3	169.7	-148.7	0	0	113.8	Y346 L351	Y346-E349 HydrophobicContact CD2-CG 3.9Å; Y346-E349 HydrophobicContact CE2-CG 3.58Å; E349-L351 VanDerWaalsContact C-N 3.33Å
350	S	91	Very high	93.5	Very high	110 Å²	110	38.7 Å²	38.7	77%	0.769	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.3	179.2	-53.9	0	0	0	0	114.7	N348	N348-S350 PolarHBondContact O-N 3.13Å; N348-S350 VanDerWaalsContact O-N 3.15Å; N348-S350 WeakPolarHBondContact OD1-CB 3.49Å; N348-S350 PolarHBondContact OD1-N 3.42Å
351	L	93.7	Very high	93.5	Very high	47 Å²	47	38.7 Å²	38.7	25%	0.246	20%	0.204	C	C	.	.	S	Bend	trans	-98.6	139.5	177.8	-67.5	179.5	0	0	0	112.1	N334 N340 N348 E349	N334-L351 HydrophobicContact CB-CD1 3.79Å; N340-L351 PolarHBondContact ND2-O 3.25Å; N348-L351 HydrophobicContact CB-CD1 4.41Å; N348-L351 HydrophobicContact CB-CG 4.44Å; N348-L351 PolarHBondContact O-N 3.39Å; E349-L351 VanDerWaalsContact C-N 3.33Å
352	P	93.9	Very high	93.5	Very high	45 Å²	45	42.3 Å²	42.3	29%	0.292	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-63.7	166	176.5	29.8	-36.8	0	0	0	111.6	C339 N340 E356	C339-P352 CarbonylContact C-O 3.51Å; C339-P352 WeakPolarHBondContact CA-O 3.43Å; C339-P352 VanDerWaalsContact CB-O 3.31Å; C339-P352 WeakPolarHBondContact CB-O 3.43Å; N340-P352 PolarHBondContact N-O 3.21Å; P352-E356 WeakPolarHBondContact CA-OE2 3.41Å; P352-E356 WeakPolarHBondContact CB-OE2 3.41Å
353	F	95.5	Very high	93.4	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.096	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-83.8	150.2	176.4	-80.9	-79.7	0	0	0	112.3	E157 Q161 N340 I342 L355 E356 R420	E157-F353 HydrophobicContact CB-CB 3.7Å; E157-F353 HydrophobicContact CB-CD1 4.43Å; E157-F353 HydrophobicContact CB-CG 4.14Å; E157-F353 HydrophobicContact CG-CB 3.73Å; E157-F353 HydrophobicContact CG-CD1 3.59Å; E157-F353 HydrophobicContact CG-CE1 4.41Å; E157-F353 HydrophobicContact CG-CG 3.81Å; Q161-F353 HydrophobicContact CG-CE2 4.45Å; N340-F353 HydrophobicContact CB-CD1 3.98Å; N340-F353 HydrophobicContact CB-CE1 3.92Å; N340-F353 CarbonylContact O-C 3.53Å; N340-F353 WeakPolarHBondContact O-CA 3.44Å; N340-F353 WeakPolarHBondContact O-CD1 3.41Å; I342-F353 HydrophobicContact CB-CE1 4.28Å; F353-L355 VanDerWaalsContact C-N 3.28Å; F353-L355 PolarHBondContact O-N 3.21Å; F353-E356 HydrophobicContact CB-CB 4.12Å; F353-E356 PolarHBondContact N-OE2 2.96Å; F353-E356 WeakPolarHBondContact O-CB 3.35Å; F353-E356 PolarHBondContact O-N 3.46Å; F353-R420 PolarHBondContact O-NH1 2.77Å
354	C	95.7	Very high	93.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.9	-172.1	-67	0	0	0	0	113.5	E157 C339 N340 R420	E157-C354 PolarHBondContact OE2-N 2.93Å; C339-C354 HydrophobicContact CB-CB 3.95Å; C339-C354 WeakPolarHBondContact CB-SG 3.48Å; C339-C354 WeakPolarHBondContact SG-CA 3.49Å; C339-C354 WeakPolarHBondContact SG-CB 3.11Å; C339-C354 CovalentContact SG-SG 2.05Å; C339-C354 PolarHBondContact SG-SG 3.24Å; N340-C354 PolarHBondContact O-N 2.76Å; N340-C354 PolarHBondContact O-SG 3.4Å; C354-R420 HydrophobicContact CB-CB 4.4Å; C354-R420 VanDerWaalsContact O-CB 3.28Å; C354-R420 WeakPolarHBondContact O-CB 3.46Å; C354-R420 VanDerWaalsContact O-CD 3.28Å; C354-R420 WeakPolarHBondContact O-CD 3.44Å
355	L	95.2	Very high	92.9	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.058	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	14.4	180	-50.2	178.4	0	0	0	112.6	A149 E157 S158 F353 M357 V417 V421	A149-L355 HydrophobicContact CB-CB 4.39Å; A149-L355 HydrophobicContact CB-CD1 4.42Å; A149-L355 HydrophobicContact CB-CD2 4.01Å; E157-L355 HydrophobicContact CB-CB 4.13Å; E157-L355 WeakPolarHBondContact OE2-CA 3.29Å; E157-L355 VanDerWaalsContact OE2-CB 3.24Å; E157-L355 WeakPolarHBondContact OE2-CB 3.04Å; E157-L355 WeakPolarHBondContact OE2-CG 3.13Å; E157-L355 PolarHBondContact OE2-N 2.75Å; S158-L355 PolarHBondContact OG-O 2.03Å; S158-L355 VanDerWaalsContact OG-O 3.12Å; F353-L355 VanDerWaalsContact C-N 3.28Å; F353-L355 PolarHBondContact O-N 3.21Å; L355-M357 WeakPolarHBondContact O-CE 3.41Å; L355-M357 PolarHBondContact O-N 2.88Å; L355-M357 VanDerWaalsContact O-N 3.08Å; L355-V417 HydrophobicContact CD2-CG1 4.1Å; L355-V421 HydrophobicContact CD2-CG2 3.4Å
356	E	94.5	Very high	92.7	Very high	75 Å²	75	46.6 Å²	46.6	35%	0.35	26%	0.26	S	S	.	.			trans	-63.3	106.2	-173.3	-172.1	179.4	154.3	0	0	112.9	P352 F353	P352-E356 WeakPolarHBondContact CA-OE2 3.41Å; P352-E356 WeakPolarHBondContact CB-OE2 3.41Å; F353-E356 HydrophobicContact CB-CB 4.12Å; F353-E356 PolarHBondContact N-OE2 2.96Å; F353-E356 WeakPolarHBondContact O-CB 3.35Å; F353-E356 PolarHBondContact O-N 3.46Å
357	M	94.9	Very high	92.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.263	C	S	.	.			trans	-120.4	71.2	176.7	-70	170.1	-78.7	0	0	110.3	F122 L126 A149 S158 L355 S359 F360 E413 L414 V417	F122-M357 HydrophobicContact CZ-CE 4.02Å; L126-M357 HydrophobicContact CD1-SD 3.74Å; L126-M357 HydrophobicContact CD2-CE 3.72Å; L126-M357 HydrophobicContact CD2-SD 3.98Å; A149-M357 HydrophobicContact CB-CE 3.59Å; S158-M357 PolarHBondContact OG-N 2.92Å; L355-M357 WeakPolarHBondContact O-CE 3.41Å; L355-M357 PolarHBondContact O-N 2.88Å; L355-M357 VanDerWaalsContact O-N 3.08Å; M357-S359 PolarHBondContact O-N 2.9Å; M357-F360 HydrophobicContact CB-CB 4.09Å; M357-F360 HydrophobicContact CB-CD2 3.85Å; M357-F360 HydrophobicContact CB-CG 4.29Å; M357-F360 HydrophobicContact CG-CD2 4.27Å; M357-F360 PolarHBondContact O-N 3.22Å; M357-F360 HydrophobicContact SD-CD2 4.41Å; M357-E413 WeakPolarHBondContact CA-OE2 3.48Å; M357-E413 HydrophobicContact CG-CB 4.31Å; M357-L414 HydrophobicContact SD-CD1 4.49Å; M357-V417 HydrophobicContact CE-CG1 4.41Å; M357-V417 HydrophobicContact CE-CG2 4.3Å; M357-V417 HydrophobicContact CG-CG2 3.66Å; M357-V417 HydrophobicContact SD-CG2 4.09Å
358	S	94.4	Very high	91.9	Very high	44 Å²	44	45.3 Å²	45.3	31%	0.308	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-26	-174.1	86.1	0	0	0	0	113.8	V361 K362 E413	S358-V361 WeakPolarHBondContact O-CG2 3.5Å; S358-K362 WeakPolarHBondContact O-CE 3.46Å; S358-K362 WeakPolarHBondContact O-CG 3.49Å; S358-K362 PolarHBondContact O-NZ 3.05Å; S358-K362 PolarHBondContact OG-NZ 3.44Å; S358-E413 PolarHBondContact N-OE1 2.04Å; S358-E413 PolarHBondContact N-OE2 3.19Å; S358-E413 PolarHBondContact OG-OE1 3.47Å
359	S	94.8	Very high	90.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-34	-173.8	-58.3	0	0	0	0	112.3	M357 V361 K362 C366 E409 E413	M357-S359 PolarHBondContact O-N 2.9Å; S359-V361 VanDerWaalsContact C-N 3.3Å; S359-V361 PolarHBondContact O-N 3.4Å; S359-K362 PolarHBondContact O-N 3.22Å; S359-K362 PolarHBondContact OG-NZ 3.41Å; S359-C366 VanDerWaalsContact C-SG 3.51Å; S359-E409 WeakPolarHBondContact OG-CG 3.22Å; S359-E409 PolarHBondContact OG-OE1 3.31Å; S359-E409 PolarHBondContact OG-OE2 3.1Å; S359-E413 VanDerWaalsContact CB-OE1 3.31Å; S359-E413 WeakPolarHBondContact CB-OE1 3.36Å; S359-E413 VanDerWaalsContact CB-OE2 3.26Å; S359-E413 WeakPolarHBondContact CB-OE2 3.19Å; S359-E413 PolarHBondContact N-OE1 3.37Å; S359-E413 PolarHBondContact N-OE2 3.19Å; S359-E413 PolarHBondContact OG-OE1 3.13Å
360	F	94.9	Very high	88.7	Confident	1 Å²	1	49 Å²	49	0%	0.004	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28	178.2	-80.2	-95.5	0	0	0	113.7	K117 F122 L126 F129 M357 C366 C410 L414	K117-F360 VanDerWaalsContact CD-O 3.23Å; K117-F360 WeakPolarHBondContact CD-O 3.2Å; K117-F360 VanDerWaalsContact CE-O 3.22Å; K117-F360 WeakPolarHBondContact CE-O 3.44Å; K117-F360 PolarHBondContact NZ-O 2.78Å; K117-F360 VanDerWaalsContact NZ-O 3.16Å; F122-F360 HydrophobicContact CD2-CB 3.91Å; F122-F360 HydrophobicContact CE2-CB 3.73Å; L126-F360 HydrophobicContact CB-CD1 4.17Å; L126-F360 HydrophobicContact CB-CE1 4.48Å; L126-F360 HydrophobicContact CD1-CD1 3.96Å; L126-F360 HydrophobicContact CD1-CE1 3.8Å; L126-F360 HydrophobicContact CD1-CG 4.47Å; L126-F360 HydrophobicContact CD1-CZ 4.15Å; F129-F360 HydrophobicContact CB-CE1 3.7Å; F129-F360 HydrophobicContact CB-CZ 4.13Å; F129-F360 HydrophobicContact CD1-CE1 4.21Å; F129-F360 AromaticContact CD1-CZ 3.74Å; F129-F360 HydrophobicContact CD1-CZ 3.74Å; F129-F360 HydrophobicContact CD2-CE1 4.19Å; F129-F360 HydrophobicContact CD2-CZ 4.18Å; F129-F360 HydrophobicContact CE1-CZ 4.13Å; F129-F360 AromaticContact CG-CE1 3.79Å; F129-F360 HydrophobicContact CG-CE1 3.79Å; F129-F360 AromaticContact CG-CZ 3.76Å; F129-F360 HydrophobicContact CG-CZ 3.76Å; M357-F360 HydrophobicContact CB-CB 4.09Å; M357-F360 HydrophobicContact CB-CD2 3.85Å; M357-F360 HydrophobicContact CB-CG 4.29Å; M357-F360 HydrophobicContact CG-CD2 4.27Å; M357-F360 PolarHBondContact O-N 3.22Å; M357-F360 HydrophobicContact SD-CD2 4.41Å; F360-C366 HydrophobicContact CD1-CB 3.5Å; F360-C366 VanDerWaalsContact CD1-CB 3.5Å; F360-C366 HydrophobicContact CD2-CB 4.08Å; F360-C366 VanDerWaalsContact CD2-SG 3.54Å; F360-C366 HydrophobicContact CE1-CB 3.5Å; F360-C366 HydrophobicContact CE2-CB 4.11Å; F360-C366 HydrophobicContact CG-CB 3.8Å; F360-C366 HydrophobicContact CZ-CB 3.83Å; F360-C410 HydrophobicContact CE2-CB 3.75Å; F360-C410 WeakPolarHBondContact CE2-O 3.15Å; F360-C410 HydrophobicContact CZ-CB 3.93Å; F360-L414 HydrophobicContact CE2-CD1 4.17Å; F360-L414 HydrophobicContact CZ-CD1 3.83Å
361	V	95.4	Very high	85.9	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.012	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.5	178.6	-65.4	0	0	0	0	114.3	L116 K117 F122 Y155 S158 L159 S358 S359	L116-V361 CarbonylContact C-O 3.38Å; L116-V361 VanDerWaalsContact CA-O 3.31Å; L116-V361 WeakPolarHBondContact CA-O 3.42Å; L116-V361 HydrophobicContact CD2-CB 4.4Å; L116-V361 HydrophobicContact CD2-CG2 4.13Å; K117-V361 PolarHBondContact N-O 3.31Å; F122-V361 HydrophobicContact CD2-CG1 3.64Å; F122-V361 HydrophobicContact CE2-CG1 3.82Å; F122-V361 HydrophobicContact CG-CG1 4.49Å; Y155-V361 HydrophobicContact CD2-CG1 4.22Å; Y155-V361 HydrophobicContact CE2-CG1 4.3Å; S158-V361 WeakPolarHBondContact O-CG2 3.49Å; L159-V361 HydrophobicContact CD2-CB 4.38Å; L159-V361 HydrophobicContact CD2-CG1 4.4Å; S358-V361 WeakPolarHBondContact O-CG2 3.5Å; S359-V361 VanDerWaalsContact C-N 3.3Å; S359-V361 PolarHBondContact O-N 3.4Å
362	K	95.2	Very high	83	Confident	77 Å²	77	52.9 Å²	52.9	34%	0.335	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-81	126.3	-179.5	-58.9	163.3	-170.3	143.7	0	109.5	K117 S358 S359 G364 N365 E409	K117-K362 WeakPolarHBondContact CE-O 3.25Å; S358-K362 WeakPolarHBondContact O-CE 3.46Å; S358-K362 WeakPolarHBondContact O-CG 3.49Å; S358-K362 PolarHBondContact O-NZ 3.05Å; S358-K362 PolarHBondContact OG-NZ 3.44Å; S359-K362 PolarHBondContact O-N 3.22Å; S359-K362 PolarHBondContact OG-NZ 3.41Å; K362-G364 PolarHBondContact O-N 3.42Å; K362-N365 HydrophobicContact CB-CB 4.15Å; K362-N365 PolarHBondContact O-N 2.99Å; K362-E409 IonicContact NZ-OE1 2.65Å
363	I	92.3	Very high	80.2	Confident	99 Å²	99	57.5 Å²	57.5	51%	0.508	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	130.4	175.9	-64.9	171.7	0	0	0	109.6	K115 K117	K115-I363 WeakPolarHBondContact O-CG1 3.17Å; K115-I363 PolarHBondContact O-N 2.9Å; K117-I363 HydrophobicContact CG-CG1 3.92Å
364	G	87.7	Confident	76.9	Confident	61 Å²	61	63.5 Å²	63.5	63%	0.629	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	4.8	-178.5	0	0	0	0	0	114.8	K362 D367	K362-G364 PolarHBondContact O-N 3.42Å; G364-D367 VanDerWaalsContact C-OD2 3.28Å; G364-D367 WeakPolarHBondContact CA-OD2 3.5Å; G364-D367 PolarHBondContact N-OD2 2.84Å
365	N	90.9	Very high	73.6	Confident	31 Å²	31	69.8 Å²	69.8	17%	0.166	37%	0.373	C	S	.	.	S	Bend	trans	-125.2	149.7	177.7	-162.4	13.3	0	0	0	112.3	K117 K362 D367 N407 E409	K117-N365 PolarHBondContact NZ-O 2.85Å; K362-N365 HydrophobicContact CB-CB 4.15Å; K362-N365 PolarHBondContact O-N 2.99Å; N365-D367 PolarHBondContact O-N 3.21Å; N365-D367 VanDerWaalsContact O-N 3.11Å; N365-N407 PolarHBondContact OD1-ND2 2.76Å; N365-E409 PolarHBondContact ND2-OE2 3.03Å; N365-E409 VanDerWaalsContact ND2-OE2 3.16Å
366	C	90.5	Very high	70.4	Confident	6 Å²	6	79 Å²	79	4%	0.041	41%	0.409	C	S	.	.	S	Bend	trans	56.1	14.7	-169.9	-44.7	0	0	0	0	114.5	F129 S359 F360 C410	F129-C366 HydrophobicContact CD2-CB 4.32Å; F129-C366 WeakPolarHBondContact CD2-O 3.07Å; F129-C366 HydrophobicContact CE2-CB 4.48Å; S359-C366 VanDerWaalsContact C-SG 3.51Å; F360-C366 HydrophobicContact CD1-CB 3.5Å; F360-C366 VanDerWaalsContact CD1-CB 3.5Å; F360-C366 HydrophobicContact CD2-CB 4.08Å; F360-C366 VanDerWaalsContact CD2-SG 3.54Å; F360-C366 HydrophobicContact CE1-CB 3.5Å; F360-C366 HydrophobicContact CE2-CB 4.11Å; F360-C366 HydrophobicContact CG-CB 3.8Å; F360-C366 HydrophobicContact CZ-CB 3.83Å; C366-C410 WeakPolarHBondContact CA-SG 3.38Å; C366-C410 HydrophobicContact CB-CB 3.8Å; C366-C410 WeakPolarHBondContact CB-SG 3.45Å; C366-C410 WeakPolarHBondContact SG-CB 3.23Å; C366-C410 CovalentContact SG-SG 2.03Å; C366-C410 PolarHBondContact SG-SG 2.86Å
367	D	85.8	Confident	67.2	Low	70 Å²	70	80.3 Å²	80.3	37%	0.374	42%	0.422	S	S	.	.			trans	-77.2	122.3	-179	-62.2	-23.2	0	0	0	110.4	K117 G364 N365	K117-D367 VanDerWaalsContact CE-OD1 3.32Å; K117-D367 WeakPolarHBondContact CE-OD1 3.41Å; K117-D367 IonicContact NZ-OD1 3.2Å; K117-D367 PolarHBondContact NZ-OD1 3.12Å; G364-D367 VanDerWaalsContact C-OD2 3.28Å; G364-D367 WeakPolarHBondContact CA-OD2 3.5Å; G364-D367 PolarHBondContact N-OD2 2.84Å; N365-D367 PolarHBondContact O-N 3.21Å; N365-D367 VanDerWaalsContact O-N 3.11Å
368	I	78.2	Confident	64	Low	46 Å²	46	87.1 Å²	87.1	24%	0.236	46%	0.457	C	S	.	.			trans	-87.5	109.4	164.8	-66.4	-173.9	0	0	0	108	F129 K132 H370	F129-I368 HydrophobicContact CB-CD1 4.31Å; F129-I368 HydrophobicContact CD2-CD1 4.3Å; F129-I368 HydrophobicContact CD2-CG1 4.16Å; F129-I368 HydrophobicContact CG-CD1 4.47Å; K132-I368 HydrophobicContact CB-CD1 3.51Å; K132-I368 HydrophobicContact CD-CD1 3.56Å; K132-I368 HydrophobicContact CG-CD1 4.12Å; I368-H370 PolarHBondContact O-N 3.08Å
369	Q	59.6	Low	60.9	Low	154 Å²	154	93.2 Å²	93.2	72%	0.72	48%	0.48	S	S	*	.			trans	-60.1	111.2	160.3	-67.1	-176.4	-3	0	0	108.2
370	H	48.7	Very low	57.6	Low	127 Å²	127	100.7 Å²	100.7	59%	0.588	52%	0.52	S	S	*	.			trans	-54.6	140	154.4	-80	-84.2	0	0	0	107.7	I368 I372	I368-H370 PolarHBondContact O-N 3.08Å; H370-I372 PolarHBondContact O-N 3.08Å
371	P	31.5	Very low	54.5	Low	120 Å²	120	105.9 Å²	105.9	78%	0.779	56%	0.557	S	S	*	*			trans	-56.2	115	167.6	25.3	-32.6	0	0	0	107	I373	P371-I373 PolarHBondContact O-N 3.41Å
372	I	34.3	Very low	51.4	Low	119 Å²	119	111.4 Å²	111.4	61%	0.61	59%	0.593	S	S	*	*			trans	-57	131.4	-169.5	-58.7	168.4	0	0	0	107.9	H370 Q374	H370-I372 PolarHBondContact O-N 3.08Å; I372-Q374 HydrophobicContact CB-CG 3.87Å; I372-Q374 HydrophobicContact CG2-CG 3.76Å; I372-Q374 PolarHBondContact O-N 3.21Å
373	I	34.5	Very low	48.2	Very low	142 Å²	142	112.8 Å²	112.8	73%	0.728	61%	0.612	S	S	*	*			trans	-68.8	81	163	-58.7	178	0	0	0	106.2	P371 N375 Y376	P371-I373 PolarHBondContact O-N 3.41Å; I373-N375 PolarHBondContact O-N 3.22Å; I373-Y376 HydrophobicContact CG2-CD2 4.06Å
374	Q	26.3	Very low	45.1	Very low	149 Å²	149	114.8 Å²	114.8	70%	0.696	62%	0.624	S	S	*	*			trans	-68.4	126.8	-179.7	-69.7	-173.8	-19.9	0	0	108.1	I372	I372-Q374 HydrophobicContact CB-CG 3.87Å; I372-Q374 HydrophobicContact CG2-CG 3.76Å; I372-Q374 PolarHBondContact O-N 3.21Å
375	N	26.6	Very low	42.3	Very low	131 Å²	131	119.8 Å²	119.8	70%	0.701	63%	0.631	S	S	*	*			trans	67.3	67.1	171	-50.8	-20.4	0	0	0	116.3	I373	I373-N375 PolarHBondContact O-N 3.22Å
376	Y	26.9	Very low	39.3	Very low	205 Å²	205	125.8 Å²	125.8	80%	0.804	66%	0.663	S	S	*	*			trans	-101	69.6	133.3	-86.6	-77.2	0	0	0	110.4	I373 I378	I373-Y376 HydrophobicContact CG2-CD2 4.06Å; Y376-I378 PolarHBondContact O-N 2.79Å; Y376-I378 VanDerWaalsContact O-N 3.13Å
377	T	27.1	Very low	36.2	Very low	102 Å²	102	136.5 Å²	136.5	63%	0.626	70%	0.704	S	S	*	*			trans	-65.6	103.6	159.3	41.5	0	0	0	0	108.3	H379	T377-H379 PolarHBondContact O-N 2.95Å
378	I	28.2	Very low	33.4	Very low	143 Å²	143	139.1 Å²	139.1	73%	0.733	72%	0.723	S	S	*	*			trans	-68.8	95.4	177	-57.6	176	0	0	0	108.6	Y376 N380	Y376-I378 PolarHBondContact O-N 2.79Å; Y376-I378 VanDerWaalsContact O-N 3.13Å; I378-N380 PolarHBondContact O-N 3.3Å
379	H	28.7	Very low	31	Very low	173 Å²	173	145.5 Å²	145.5	80%	0.801	76%	0.757	S	S	*	*			trans	-71.9	105	162.8	-91.9	-79.3	0	0	0	108.7	T377 S381	T377-H379 PolarHBondContact O-N 2.95Å; H379-S381 PolarHBondContact O-N 2.77Å
380	N	27.6	Very low	29.4	Very low	156 Å²	156	145.6 Å²	145.6	83%	0.834	76%	0.761	S	S	*	*			trans	-63.9	104.7	171.5	-76.8	-21	0	0	0	110.3	I378	I378-N380 PolarHBondContact O-N 3.3Å
381	S	27.8	Very low	28.3	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	77%	0.774	S	S	*	*			trans	-151.6	125.9	158.4	-161.4	0	0	0	0	109.4	H379	H379-S381 PolarHBondContact O-N 2.77Å
382	P	31.9	Very low	28.1	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	77%	0.769	S	S	*	*			trans	-94.7	128.1	-170.1	34	-32.6	0	0	0	113.3
383	S	26.3	Very low	27.9	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	78%	0.783	S	S	*	*			trans	176	153.3	133.9	41	0	0	0	0	113.9
384	N	29	Very low	27.5	Very low	141 Å²	141	145.3 Å²	145.3	75%	0.754	78%	0.782	S	S	*	*			trans	53.8	98.1	151.9	-61.1	-1.5	0	0	0	120.6
385	Q	27.9	Very low	27.5	Very low	165 Å²	165	146.9 Å²	146.9	77%	0.771	79%	0.79	S	S	*	*				35.3	107.6	117.5	-63.9	177.9	-18.5	0	0	118.3
386	N	28.6	Very low	27.4	Very low	157 Å²	157	147.3 Å²	147.3	84%	0.84	79%	0.792	S	S	*	*				-165.7	128.9	118.1	-98.4	-36.1	0	0	0	110.5
387	Y	24.1	Very low	27.4	Very low	231 Å²	231	145.3 Å²	145.3	91%	0.906	79%	0.79	S	S	*	*			trans	-96.5	107.9	177.1	-59	-79.5	0	0	0	109.9
388	T	26.8	Very low	27.4	Very low	125 Å²	125	150.7 Å²	150.7	77%	0.767	81%	0.805	S	S	*	*			trans	-119.9	116.6	169.7	37.9	0	0	0	0	110.4	L390	T388-L390 PolarHBondContact O-N 3.46Å
389	L	28	Very low	27.4	Very low	181 Å²	181	148.7 Å²	148.7	95%	0.948	80%	0.799	S	S	*	*			trans	-64.4	121.8	164.7	-83.8	135.3	0	0	0	108.7
390	L	27.6	Very low	27.3	Very low	156 Å²	156	149.4 Å²	149.4	82%	0.817	80%	0.8	S	S	*	*			trans	-134	113.7	164.4	-140.6	88.1	0	0	0	111.4	T388	T388-L390 PolarHBondContact O-N 3.46Å
391	S	25.3	Very low	27.8	Very low	121 Å²	121	147.2 Å²	147.2	85%	0.846	79%	0.794	S	S	*	*			trans	-91.4	112.6	176	52.3	0	0	0	0	111.1
392	S	26.9	Very low	28.4	Very low	97 Å²	97	151.2 Å²	151.2	68%	0.678	80%	0.8	S	S	*	*			trans	-165.4	60.1	168.7	48.4	0	0	0	0	114	N394	S392-N394 PolarHBondContact O-N 3.05Å
393	V	29.8	Very low	29.2	Very low	149 Å²	149	154.1 Å²	154.1	90%	0.903	80%	0.804	S	S	*	*			trans	-71.7	120.8	165.1	179.6	0	0	0	0	109.1
394	N	25.8	Very low	30.5	Very low	135 Å²	135	155.5 Å²	155.5	72%	0.722	80%	0.8	S	S	*	*			trans	-73.6	126.1	-169	-163	-11.8	0	0	0	111.6	S392 N396	S392-N394 PolarHBondContact O-N 3.05Å; N394-N396 PolarHBondContact O-N 2.77Å; N394-N396 VanDerWaalsContact O-N 3.15Å
395	Q	25.8	Very low	32.4	Very low	182 Å²	182	154.1 Å²	154.1	85%	0.85	80%	0.799	S	S	*	*			trans	-74.6	-0.9	-171.3	-79.6	-172.4	-22	0	0	115.4	Q397	Q395-Q397 PolarHBondContact O-N 2.93Å
396	N	24.8	Very low	34.6	Very low	140 Å²	140	149.6 Å²	149.6	75%	0.749	78%	0.777	S	S	*	*			trans	-101.6	64.9	-168.9	-78.7	-33.2	0	0	0	114.7	N394	N394-N396 PolarHBondContact O-N 2.77Å; N394-N396 VanDerWaalsContact O-N 3.15Å
397	Q	28	Very low	37.1	Very low	162 Å²	162	145 Å²	145	76%	0.757	75%	0.752	S	S	*	*			trans	-153.8	91.1	152.7	-116.2	166.3	22.9	0	0	112.2	Q395 T399	Q395-Q397 PolarHBondContact O-N 2.93Å; Q397-T399 HydrophobicContact CG-CG2 4.46Å; Q397-T399 PolarHBondContact O-N 2.86Å; Q397-T399 VanDerWaalsContact O-N 3.08Å
398	K	27.1	Very low	40.2	Very low	216 Å²	216	142.1 Å²	142.1	94%	0.939	75%	0.745	S	S	*	*			trans	-79.5	45.4	164.6	-80.4	-173.8	174.8	177	0	111.8	K400	K398-K400 PolarHBondContact O-N 2.82Å
399	T	28.3	Very low	43.3	Very low	101 Å²	101	140 Å²	140	62%	0.62	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-68.6	118.8	161.3	32.5	0	0	0	0	107.8	Q397	Q397-T399 HydrophobicContact CG-CG2 4.46Å; Q397-T399 PolarHBondContact O-N 2.86Å; Q397-T399 VanDerWaalsContact O-N 3.08Å
400	K	26.5	Very low	46.4	Very low	188 Å²	188	131.4 Å²	131.4	82%	0.817	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-52.6	135.3	164.7	-69.8	-176.7	177	-175.3	0	107.4	K398 H402	K398-K400 PolarHBondContact O-N 2.82Å; K400-H402 PolarHBondContact O-N 2.6Å
401	P	36.8	Very low	49.5	Very low	110 Å²	110	126.7 Å²	126.7	71%	0.714	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.6	167.5	26.4	-32.8	0	0	0	107.2	E403	P401-E403 PolarHBondContact O-N 3.48Å
402	H	41	Very low	52.8	Low	193 Å²	193	123.7 Å²	123.7	89%	0.894	64%	0.636	S	S	*	*			trans	-62.2	108.1	168.7	-102	-93.6	0	0	0	106.7	K400 M404	K400-H402 PolarHBondContact O-N 2.6Å; H402-M404 PolarHBondContact O-N 2.91Å
403	E	48.7	Very low	56	Low	179 Å²	179	120.3 Å²	120.3	84%	0.836	61%	0.609	S	S	*	*			trans	-67.4	87.5	178.6	-70.3	-177.5	118	0	0	108.7	P401 P405	P401-E403 PolarHBondContact O-N 3.48Å; E403-P405 VanDerWaalsContact O-CD 3.29Å; E403-P405 WeakPolarHBondContact O-CD 3.48Å
404	M	53.2	Low	59.1	Low	136 Å²	136	113.2 Å²	113.2	67%	0.67	57%	0.566	S	S	*	*			trans	-57.5	113.2	167.8	-174.9	-179.5	-74.2	0	0	106.6	K132 H402	K132-M404 PolarHBondContact NZ-O 2.91Å; H402-M404 PolarHBondContact O-N 2.91Å
405	P	68.6	Low	62.3	Low	113 Å²	113	110.2 Å²	110.2	73%	0.734	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-63.9	142.7	-167.4	24.7	-33.8	0	0	0	109.8	E403	E403-P405 VanDerWaalsContact O-CD 3.29Å; E403-P405 WeakPolarHBondContact O-CD 3.48Å
406	F	74.1	Confident	65.5	Low	69 Å²	69	103.3 Å²	103.3	30%	0.303	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-60.7	145.7	172.4	-66.1	-91.9	0	0	0	109.8	F129 K132 A133 F408 L411	F129-F406 AromaticContact CE1-CD1 3.95Å; F129-F406 HydrophobicContact CE1-CD1 3.95Å; F129-F406 HydrophobicContact CE2-CD1 4.12Å; F129-F406 HydrophobicContact CZ-CB 4.2Å; F129-F406 AromaticContact CZ-CD1 3.7Å; F129-F406 HydrophobicContact CZ-CD1 3.7Å; F129-F406 HydrophobicContact CZ-CG 4.43Å; K132-F406 HydrophobicContact CB-CE1 3.95Å; K132-F406 HydrophobicContact CB-CZ 4.2Å; K132-F406 HydrophobicContact CD-CD1 4.36Å; K132-F406 HydrophobicContact CD-CE1 3.58Å; K132-F406 HydrophobicContact CD-CZ 3.72Å; K132-F406 HydrophobicContact CG-CE1 3.75Å; K132-F406 HydrophobicContact CG-CZ 3.64Å; A133-F406 HydrophobicContact CB-CE1 4.06Å; A133-F406 HydrophobicContact CB-CZ 4.35Å; F406-F408 PolarHBondContact O-N 3.22Å; F406-F408 VanDerWaalsContact O-N 3.08Å; F406-L411 HydrophobicContact CB-CD2 4.4Å
407	N	82.3	Confident	68.8	Low	61 Å²	61	96.7 Å²	96.7	33%	0.326	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-61.9	116.8	162.9	-179.4	-0.4	0	0	0	107.6	N365 E409 C410 L411	N365-N407 PolarHBondContact OD1-ND2 2.76Å; N407-E409 VanDerWaalsContact C-N 3.26Å; N407-E409 PolarHBondContact ND2-OE2 3.01Å; N407-E409 PolarHBondContact O-N 3.34Å; N407-E409 WeakPolarHBondContact OD1-CB 3.2Å; N407-E409 PolarHBondContact OD1-N 2.82Å; N407-C410 HydrophobicContact CB-CB 4.17Å; N407-C410 PolarHBondContact ND2-SG 2.76Å; N407-C410 PolarHBondContact O-N 3.06Å; N407-L411 PolarHBondContact O-N 3.12Å
408	F	88.3	Confident	72	Confident	170 Å²	170	90.1 Å²	90.1	75%	0.746	46%	0.455	S	S	*	.	H	α-helix	trans	-60.4	-35.4	-178.7	-177.8	-93.7	0	0	0	112.1	F406 L411 S412	F406-F408 PolarHBondContact O-N 3.22Å; F406-F408 VanDerWaalsContact O-N 3.08Å; F408-L411 PolarHBondContact O-N 2.83Å; F408-S412 WeakPolarHBondContact O-CB 3.04Å; F408-S412 PolarHBondContact O-N 3.33Å; F408-S412 PolarHBondContact O-OG 2.85Å
409	E	92.2	Very high	75.2	Confident	81 Å²	81	84 Å²	84	38%	0.379	43%	0.432	S	S	.	.	H	α-helix	trans	-57.2	-57.7	173.8	-175	-172.4	-144.4	0	0	110	S359 K362 N365 N407 L411 S412 E413	S359-E409 WeakPolarHBondContact OG-CG 3.22Å; S359-E409 PolarHBondContact OG-OE1 3.31Å; S359-E409 PolarHBondContact OG-OE2 3.1Å; K362-E409 IonicContact NZ-OE1 2.65Å; N365-E409 PolarHBondContact ND2-OE2 3.03Å; N365-E409 VanDerWaalsContact ND2-OE2 3.16Å; N407-E409 VanDerWaalsContact C-N 3.26Å; N407-E409 PolarHBondContact ND2-OE2 3.01Å; N407-E409 PolarHBondContact O-N 3.34Å; N407-E409 WeakPolarHBondContact OD1-CB 3.2Å; N407-E409 PolarHBondContact OD1-N 2.82Å; E409-L411 PolarHBondContact O-N 3.06Å; E409-S412 PolarHBondContact O-N 3.32Å; E409-S412 VanDerWaalsContact O-N 3.1Å; E409-S412 PolarHBondContact O-OG 2.89Å; E409-E413 PolarHBondContact O-N 2.94Å
410	C	93.8	Very high	78.3	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-57.5	-43.8	178	-55.8	0	0	0	0	112.5	F129 F360 C366 N407 S412 E413 L414	F129-C410 HydrophobicContact CE1-CB 4.24Å; F129-C410 HydrophobicContact CE2-CB 3.73Å; F129-C410 HydrophobicContact CZ-CB 3.51Å; F360-C410 HydrophobicContact CE2-CB 3.75Å; F360-C410 WeakPolarHBondContact CE2-O 3.15Å; F360-C410 HydrophobicContact CZ-CB 3.93Å; C366-C410 WeakPolarHBondContact CA-SG 3.38Å; C366-C410 HydrophobicContact CB-CB 3.8Å; C366-C410 WeakPolarHBondContact CB-SG 3.45Å; C366-C410 WeakPolarHBondContact SG-CB 3.23Å; C366-C410 CovalentContact SG-SG 2.03Å; C366-C410 PolarHBondContact SG-SG 2.86Å; N407-C410 HydrophobicContact CB-CB 4.17Å; N407-C410 PolarHBondContact ND2-SG 2.76Å; N407-C410 PolarHBondContact O-N 3.06Å; C410-S412 VanDerWaalsContact C-N 3.31Å; C410-S412 PolarHBondContact O-N 2.91Å; C410-E413 PolarHBondContact O-N 3.3Å; C410-L414 WeakPolarHBondContact O-CB 3.25Å; C410-L414 PolarHBondContact O-N 2.76Å
411	L	92.9	Very high	81.5	Confident	58 Å²	58	73.8 Å²	73.8	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-65.8	-34.7	178.5	-172.6	62.7	0	0	0	112	F129 A133 F406 N407 F408 E409 L414 E415	F129-L411 HydrophobicContact CE1-CB 4.4Å; F129-L411 HydrophobicContact CE1-CD1 4.3Å; F129-L411 HydrophobicContact CZ-CB 4.42Å; A133-L411 HydrophobicContact CB-CD1 4.22Å; F406-L411 HydrophobicContact CB-CD2 4.4Å; N407-L411 PolarHBondContact O-N 3.12Å; F408-L411 PolarHBondContact O-N 2.83Å; E409-L411 PolarHBondContact O-N 3.06Å; L411-L414 HydrophobicContact CD1-CD2 4.45Å; L411-L414 WeakPolarHBondContact O-CB 3.32Å; L411-L414 PolarHBondContact O-N 2.85Å; L411-E415 PolarHBondContact O-N 2.94Å
412	S	93.9	Very high	84.2	Confident	58 Å²	58	71.5 Å²	71.5	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-71.9	-38.5	176.1	75.4	0	0	0	0	113.2	F408 E409 C410 L414 A416	F408-S412 WeakPolarHBondContact O-CB 3.04Å; F408-S412 PolarHBondContact O-N 3.33Å; F408-S412 PolarHBondContact O-OG 2.85Å; E409-S412 PolarHBondContact O-N 3.32Å; E409-S412 VanDerWaalsContact O-N 3.1Å; E409-S412 PolarHBondContact O-OG 2.89Å; C410-S412 VanDerWaalsContact C-N 3.31Å; C410-S412 PolarHBondContact O-N 2.91Å; S412-L414 VanDerWaalsContact C-N 3.32Å; S412-A416 WeakPolarHBondContact O-CB 3.4Å; S412-A416 PolarHBondContact O-N 3.19Å
413	E	94.5	Very high	86.8	Confident	26 Å²	26	64.2 Å²	64.2	12%	0.121	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-43.9	170.3	-71.6	-173.4	172.9	0	0	110.4	M357 S358 S359 E409 C410 E415 A416 V417	M357-E413 WeakPolarHBondContact CA-OE2 3.48Å; M357-E413 HydrophobicContact CG-CB 4.31Å; S358-E413 PolarHBondContact N-OE1 2.04Å; S358-E413 PolarHBondContact N-OE2 3.19Å; S358-E413 PolarHBondContact OG-OE1 3.47Å; S359-E413 VanDerWaalsContact CB-OE1 3.31Å; S359-E413 WeakPolarHBondContact CB-OE1 3.36Å; S359-E413 VanDerWaalsContact CB-OE2 3.26Å; S359-E413 WeakPolarHBondContact CB-OE2 3.19Å; S359-E413 PolarHBondContact N-OE1 3.37Å; S359-E413 PolarHBondContact N-OE2 3.19Å; S359-E413 PolarHBondContact OG-OE1 3.13Å; E409-E413 PolarHBondContact O-N 2.94Å; C410-E413 PolarHBondContact O-N 3.3Å; E413-E415 PolarHBondContact O-N 2.86Å; E413-A416 PolarHBondContact O-N 3.33Å; E413-V417 WeakPolarHBondContact O-CG2 3.38Å; E413-V417 PolarHBondContact O-N 3.08Å
414	L	93.6	Very high	89.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-45.2	180	-149.9	75.5	0	0	0	112.9	L126 F129 A133 Y134 V146 M357 F360 C410 L411 S412 K418	L126-L414 HydrophobicContact CD1-CD1 3.52Å; F129-L414 HydrophobicContact CD1-CD2 3.79Å; F129-L414 HydrophobicContact CE1-CD2 4.01Å; A133-L414 HydrophobicContact CB-CD2 4.01Å; Y134-L414 HydrophobicContact CD2-CD2 4.27Å; Y134-L414 HydrophobicContact CE2-CD2 3.45Å; Y134-L414 VanDerWaalsContact CE2-CD2 3.45Å; Y134-L414 HydrophobicContact CE2-CG 4.04Å; V146-L414 HydrophobicContact CG1-CD1 3.43Å; V146-L414 VanDerWaalsContact CG1-CD1 3.43Å; V146-L414 HydrophobicContact CG1-CD2 4.4Å; V146-L414 HydrophobicContact CG1-CG 3.72Å; V146-L414 HydrophobicContact CG2-CG 4.26Å; M357-L414 HydrophobicContact SD-CD1 4.49Å; F360-L414 HydrophobicContact CE2-CD1 4.17Å; F360-L414 HydrophobicContact CZ-CD1 3.83Å; C410-L414 WeakPolarHBondContact O-CB 3.25Å; C410-L414 PolarHBondContact O-N 2.76Å; L411-L414 HydrophobicContact CD1-CD2 4.45Å; L411-L414 WeakPolarHBondContact O-CB 3.32Å; L411-L414 PolarHBondContact O-N 2.85Å; S412-L414 VanDerWaalsContact C-N 3.32Å; L414-K418 PolarHBondContact O-N 3.36Å
415	E	93.5	Very high	91	Very high	72 Å²	72	53.2 Å²	53.2	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-69.5	-37.6	177.2	-174.1	59.5	-147.6	0	0	111.4	Y134 L411 E413 K418 N419	Y134-E415 PolarHBondContact OH-OE2 3.34Å; L411-E415 PolarHBondContact O-N 2.94Å; E413-E415 PolarHBondContact O-N 2.86Å; E415-K418 PolarHBondContact O-N 3.16Å; E415-K418 WeakPolarHBondContact OE1-CE 3.27Å; E415-K418 IonicContact OE1-NZ 3.57Å; E415-K418 PolarHBondContact OE1-NZ 3.46Å; E415-K418 VanDerWaalsContact OE2-CE 3.29Å; E415-K418 WeakPolarHBondContact OE2-CE 3.45Å; E415-K418 IonicContact OE2-NZ 3.44Å; E415-K418 PolarHBondContact OE2-NZ 3.21Å; E415-N419 PolarHBondContact O-N 2.91Å; E415-N419 PolarHBondContact O-ND2 2.86Å; E415-N419 PolarHBondContact OE1-ND2 2.61Å
416	A	93.6	Very high	92.2	Very high	36 Å²	36	52 Å²	52	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-46	174.3	0	0	0	0	0	111.7	S412 E413 N419 R420	S412-A416 WeakPolarHBondContact O-CB 3.4Å; S412-A416 PolarHBondContact O-N 3.19Å; E413-A416 PolarHBondContact O-N 3.33Å; A416-N419 PolarHBondContact O-N 3.23Å; A416-R420 VanDerWaalsContact O-CG 3.31Å; A416-R420 WeakPolarHBondContact O-CG 3.1Å; A416-R420 PolarHBondContact O-N 3.11Å
417	V	94.5	Very high	93.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-45	175.2	168.6	0	0	0	0	111.3	A149 L355 M357 E413 N419 R420 V421	A149-V417 HydrophobicContact CB-CG1 4.22Å; L355-V417 HydrophobicContact CD2-CG1 4.1Å; M357-V417 HydrophobicContact CE-CG1 4.41Å; M357-V417 HydrophobicContact CE-CG2 4.3Å; M357-V417 HydrophobicContact CG-CG2 3.66Å; M357-V417 HydrophobicContact SD-CG2 4.09Å; E413-V417 WeakPolarHBondContact O-CG2 3.38Å; E413-V417 PolarHBondContact O-N 3.08Å; V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 PolarHBondContact O-N 3.4Å; V417-R420 PolarHBondContact O-N 3.01Å; V417-R420 VanDerWaalsContact O-N 3.15Å; V417-V421 HydrophobicContact CG1-CG2 3.87Å; V417-V421 WeakPolarHBondContact O-CB 3.42Å; V417-V421 VanDerWaalsContact O-CG2 3.28Å; V417-V421 WeakPolarHBondContact O-CG2 3.44Å; V417-V421 PolarHBondContact O-N 3.32Å
418	K	93.9	Very high	93.6	Very high	25 Å²	25	48.1 Å²	48.1	11%	0.109	25%	0.252	C	S	.	.	H	α-helix	trans	-52.3	-48.1	176.8	-170.6	-176.9	73.3	-165.5	0	112.1	S142 Q145 V146 L414 E415 L422	S142-K418 VanDerWaalsContact OG-CD 3.28Å; S142-K418 WeakPolarHBondContact OG-CD 3.38Å; S142-K418 PolarHBondContact OG-NZ 3.28Å; Q145-K418 HydrophobicContact CB-CG 4.13Å; V146-K418 HydrophobicContact CG2-CB 3.75Å; V146-K418 HydrophobicContact CG2-CG 4.15Å; L414-K418 PolarHBondContact O-N 3.36Å; E415-K418 PolarHBondContact O-N 3.16Å; E415-K418 WeakPolarHBondContact OE1-CE 3.27Å; E415-K418 IonicContact OE1-NZ 3.57Å; E415-K418 PolarHBondContact OE1-NZ 3.46Å; E415-K418 VanDerWaalsContact OE2-CE 3.29Å; E415-K418 WeakPolarHBondContact OE2-CE 3.45Å; E415-K418 IonicContact OE2-NZ 3.44Å; E415-K418 PolarHBondContact OE2-NZ 3.21Å; K418-L422 HydrophobicContact CG-CD1 4.3Å; K418-L422 WeakPolarHBondContact O-CG 3.4Å; K418-L422 PolarHBondContact O-N 2.92Å
419	N	94.4	Very high	93.8	Very high	86 Å²	86	44.8 Å²	44.8	46%	0.46	24%	0.237	S	C	.	.	H	α-helix	trans	-70.1	-37.7	-179.4	-71.4	-65.9	0	0	0	112.4	E415 A416 V417 C423	E415-N419 PolarHBondContact O-N 2.91Å; E415-N419 PolarHBondContact O-ND2 2.86Å; E415-N419 PolarHBondContact OE1-ND2 2.61Å; A416-N419 PolarHBondContact O-N 3.23Å; V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 PolarHBondContact O-N 3.4Å; N419-C423 PolarHBondContact O-N 3.45Å; N419-C423 VanDerWaalsContact O-N 3.1Å
420	R	94.7	Very high	93.7	Very high	65 Å²	65	47.7 Å²	47.7	25%	0.245	25%	0.25	C	S	.	.	H	α-helix	trans	-65.7	-42.4	173.9	-71	173.5	-173.8	178.4	7.8	112.3	F353 C354 A416 V417 C423 K424	F353-R420 PolarHBondContact O-NH1 2.77Å; C354-R420 HydrophobicContact CB-CB 4.4Å; C354-R420 VanDerWaalsContact O-CB 3.28Å; C354-R420 WeakPolarHBondContact O-CB 3.46Å; C354-R420 VanDerWaalsContact O-CD 3.28Å; C354-R420 WeakPolarHBondContact O-CD 3.44Å; A416-R420 VanDerWaalsContact O-CG 3.31Å; A416-R420 WeakPolarHBondContact O-CG 3.1Å; A416-R420 PolarHBondContact O-N 3.11Å; V417-R420 PolarHBondContact O-N 3.01Å; V417-R420 VanDerWaalsContact O-N 3.15Å; R420-C423 PolarHBondContact O-N 3.48Å; R420-K424 VanDerWaalsContact O-CB 3.28Å; R420-K424 WeakPolarHBondContact O-CB 3.25Å; R420-K424 PolarHBondContact O-N 3.3Å
421	V	93.5	Very high	93.5	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-46.1	176.4	171	0	0	0	0	111.2	L355 V417 C423 K424 S425	L355-V421 HydrophobicContact CD2-CG2 3.4Å; V417-V421 HydrophobicContact CG1-CG2 3.87Å; V417-V421 WeakPolarHBondContact O-CB 3.42Å; V417-V421 VanDerWaalsContact O-CG2 3.28Å; V417-V421 WeakPolarHBondContact O-CG2 3.44Å; V417-V421 PolarHBondContact O-N 3.32Å; V421-C423 PolarHBondContact O-N 3.46Å; V421-K424 PolarHBondContact O-N 3.06Å; V421-S425 VanDerWaalsContact O-CB 3.24Å; V421-S425 WeakPolarHBondContact O-CB 3.39Å; V421-S425 PolarHBondContact O-N 3Å
422	L	93.5	Very high	93	Very high	62 Å²	62	54.4 Å²	54.4	33%	0.325	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-45.7	176.3	-75.8	167.4	0	0	0	111.9	Q145 K418 S425 E426	Q145-L422 VanDerWaalsContact CD-CD2 3.45Å; Q145-L422 HydrophobicContact CG-CD2 3.89Å; Q145-L422 HydrophobicContact CG-CG 4.21Å; K418-L422 HydrophobicContact CG-CD1 4.3Å; K418-L422 WeakPolarHBondContact O-CG 3.4Å; K418-L422 PolarHBondContact O-N 2.92Å; L422-S425 PolarHBondContact O-N 3.39Å; L422-E426 PolarHBondContact O-N 2.96Å; L422-E426 VanDerWaalsContact O-N 3.08Å
423	C	95.9	Very high	92.3	Very high	39 Å²	39	53.9 Å²	53.9	26%	0.264	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-48.9	175.7	-176.9	0	0	0	0	112.1	C337 N419 R420 V421 S425 E426 V427	C337-C423 WeakPolarHBondContact CA-SG 3.44Å; C337-C423 HydrophobicContact CB-CB 3.81Å; C337-C423 WeakPolarHBondContact CB-SG 3.25Å; C337-C423 WeakPolarHBondContact SG-CB 3.29Å; C337-C423 CovalentContact SG-SG 2.04Å; C337-C423 PolarHBondContact SG-SG 3.48Å; N419-C423 PolarHBondContact O-N 3.45Å; N419-C423 VanDerWaalsContact O-N 3.1Å; R420-C423 PolarHBondContact O-N 3.48Å; V421-C423 PolarHBondContact O-N 3.46Å; C423-S425 VanDerWaalsContact C-N 3.32Å; C423-S425 PolarHBondContact O-N 2.91Å; C423-E426 PolarHBondContact O-N 3.47Å; C423-V427 WeakPolarHBondContact O-CG2 3.48Å; C423-V427 PolarHBondContact O-N 3.23Å
424	K	95.4	Very high	91.1	Very high	25 Å²	25	59.2 Å²	59.2	11%	0.109	31%	0.311	C	S	.	.	H	α-helix	trans	-55.8	-46	176.5	176.7	-174.6	173.3	-170.8	0	111.5	I333 A341 E343 R420 V421 V427 T428	I333-K424 HydrophobicContact CD1-CG 4.19Å; A341-K424 HydrophobicContact CB-CD 4.25Å; E343-K424 WeakPolarHBondContact OE1-CE 3.35Å; E343-K424 IonicContact OE1-NZ 3.29Å; E343-K424 PolarHBondContact OE1-NZ 2.77Å; E343-K424 WeakPolarHBondContact OE2-CE 3.34Å; E343-K424 IonicContact OE2-NZ 2.96Å; E343-K424 PolarHBondContact OE2-NZ 3.12Å; R420-K424 VanDerWaalsContact O-CB 3.28Å; R420-K424 WeakPolarHBondContact O-CB 3.25Å; R420-K424 PolarHBondContact O-N 3.3Å; V421-K424 PolarHBondContact O-N 3.06Å; K424-V427 PolarHBondContact O-N 3.15Å; K424-T428 HydrophobicContact CG-CG2 4.49Å; K424-T428 WeakPolarHBondContact O-CG2 3.32Å; K424-T428 PolarHBondContact O-N 3.37Å; K424-T428 PolarHBondContact O-OG1 3.21Å
425	S	93.2	Very high	90.5	Very high	59 Å²	59	62.8 Å²	62.8	41%	0.413	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-46.3	-179.1	-173	0	0	0	0	112.3	V421 L422 C423 V427 T428 K429	V421-S425 VanDerWaalsContact O-CB 3.24Å; V421-S425 WeakPolarHBondContact O-CB 3.39Å; V421-S425 PolarHBondContact O-N 3Å; L422-S425 PolarHBondContact O-N 3.39Å; C423-S425 VanDerWaalsContact C-N 3.32Å; C423-S425 PolarHBondContact O-N 2.91Å; S425-V427 VanDerWaalsContact C-N 3.3Å; S425-V427 PolarHBondContact O-N 3.33Å; S425-T428 PolarHBondContact O-N 3.43Å; S425-T428 PolarHBondContact O-OG1 2.97Å; S425-K429 WeakPolarHBondContact O-CB 3.48Å; S425-K429 PolarHBondContact O-N 2.9Å
426	E	93.9	Very high	90.2	Very high	89 Å²	89	59.9 Å²	59.9	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-67.6	-31.8	176.8	-167.3	59.9	-146.4	0	0	111.8	L422 C423 K429 H430	L422-E426 PolarHBondContact O-N 2.96Å; L422-E426 VanDerWaalsContact O-N 3.08Å; C423-E426 PolarHBondContact O-N 3.47Å; E426-K429 IonicContact OE1-NZ 2.67Å; E426-K429 PolarHBondContact OE1-NZ 2.79Å; E426-K429 WeakPolarHBondContact OE2-CD 3.38Å; E426-K429 IonicContact OE2-NZ 2.74Å; E426-K429 PolarHBondContact OE2-NZ 2.84Å; E426-H430 PolarHBondContact O-ND1 2.82Å; E426-H430 IonicContact OE1-CE1 3.86Å; E426-H430 PolarHBondContact OE1-CE1 3.23Å; E426-H430 IonicContact OE1-ND1 3.58Å
427	V	94.6	Very high	89.8	Confident	10 Å²	10	66.3 Å²	66.3	6%	0.061	35%	0.349	C	S	.	.	H	α-helix	trans	-65.8	-55.8	171.3	172.1	0	0	0	0	111.5	K332 I333 L336 C423 K424 S425 K429 H430 Y431	K332-V427 HydrophobicContact CB-CG1 3.98Å; K332-V427 HydrophobicContact CG-CG1 3.8Å; I333-V427 HydrophobicContact CG1-CB 4.28Å; I333-V427 HydrophobicContact CG1-CG1 3.78Å; L336-V427 HydrophobicContact CB-CG2 4.34Å; L336-V427 HydrophobicContact CD1-CG2 3.73Å; C423-V427 WeakPolarHBondContact O-CG2 3.48Å; C423-V427 PolarHBondContact O-N 3.23Å; K424-V427 PolarHBondContact O-N 3.15Å; S425-V427 VanDerWaalsContact C-N 3.3Å; S425-V427 PolarHBondContact O-N 3.33Å; V427-K429 VanDerWaalsContact C-N 3.26Å; V427-K429 PolarHBondContact O-N 3.41Å; V427-H430 WeakPolarHBondContact O-CB 3.4Å; V427-H430 PolarHBondContact O-N 2.95Å; V427-Y431 HydrophobicContact CG1-CD2 4.44Å; V427-Y431 HydrophobicContact CG1-CE2 4.19Å; V427-Y431 WeakPolarHBondContact O-CD2 3.37Å
428	T	92.8	Very high	89.6	Confident	37 Å²	37	70.1 Å²	70.1	23%	0.227	38%	0.376	C	S	.	.	H	α-helix	trans	-63.5	-32.5	-175.6	55.8	0	0	0	0	112.5	I329 I333 F344 K424 S425 H430 Y431 Q432	I329-T428 HydrophobicContact CG2-CG2 4.04Å; I333-T428 HydrophobicContact CD1-CG2 4.34Å; F344-T428 HydrophobicContact CE2-CG2 4.09Å; F344-T428 HydrophobicContact CZ-CG2 4.07Å; K424-T428 HydrophobicContact CG-CG2 4.49Å; K424-T428 WeakPolarHBondContact O-CG2 3.32Å; K424-T428 PolarHBondContact O-N 3.37Å; K424-T428 PolarHBondContact O-OG1 3.21Å; S425-T428 PolarHBondContact O-N 3.43Å; S425-T428 PolarHBondContact O-OG1 2.97Å; T428-H430 VanDerWaalsContact C-N 3.29Å; T428-H430 PolarHBondContact O-N 2.92Å; T428-Y431 CarbonylContact O-C 3.21Å; T428-Y431 WeakPolarHBondContact O-CA 3.48Å; T428-Y431 PolarHBondContact O-N 3.29Å; T428-Q432 PolarHBondContact O-N 3.39Å
429	K	92.2	Very high	89.6	Confident	100 Å²	100	69.3 Å²	69.3	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-55.1	-37.2	171.3	178.1	-179.5	165.6	-143.9	0	113.7	S425 E426 V427 Y431 Q432	S425-K429 WeakPolarHBondContact O-CB 3.48Å; S425-K429 PolarHBondContact O-N 2.9Å; E426-K429 IonicContact OE1-NZ 2.67Å; E426-K429 PolarHBondContact OE1-NZ 2.79Å; E426-K429 WeakPolarHBondContact OE2-CD 3.38Å; E426-K429 IonicContact OE2-NZ 2.74Å; E426-K429 PolarHBondContact OE2-NZ 2.84Å; V427-K429 VanDerWaalsContact C-N 3.26Å; V427-K429 PolarHBondContact O-N 3.41Å; K429-Y431 PolarHBondContact O-N 2.88Å; K429-Q432 PolarHBondContact O-N 2.87Å
430	H	89.5	Confident	89.6	Confident	142 Å²	142	67.2 Å²	67.2	66%	0.657	36%	0.363	S	S	*	.	H	α-helix	trans	-67.7	-19	173.8	-75.2	76.8	0	0	0	113.2	E426 V427 T428	E426-H430 PolarHBondContact O-ND1 2.82Å; E426-H430 IonicContact OE1-CE1 3.86Å; E426-H430 PolarHBondContact OE1-CE1 3.23Å; E426-H430 IonicContact OE1-ND1 3.58Å; V427-H430 WeakPolarHBondContact O-CB 3.4Å; V427-H430 PolarHBondContact O-N 2.95Å; T428-H430 VanDerWaalsContact C-N 3.29Å; T428-H430 PolarHBondContact O-N 2.92Å
431	Y	90.1	Very high	89.5	Confident	51 Å²	51	65.3 Å²	65.3	20%	0.2	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	19.7	178	-63.3	-87.3	0	0	0	113.2	R325 T328 I329 K332 V427 T428 K429 G433 V436	R325-Y431 PolarHBondContact NH2-O 2.93Å; T328-Y431 HydrophobicContact CG2-CE1 3.91Å; I329-Y431 HydrophobicContact CD1-CG 4.27Å; I329-Y431 HydrophobicContact CG1-CD1 3.94Å; I329-Y431 HydrophobicContact CG1-CD2 3.9Å; I329-Y431 HydrophobicContact CG1-CE1 4.48Å; I329-Y431 HydrophobicContact CG1-CE2 4.45Å; I329-Y431 HydrophobicContact CG1-CG 3.62Å; K332-Y431 HydrophobicContact CB-CE2 4.08Å; K332-Y431 HydrophobicContact CG-CE2 4.02Å; V427-Y431 HydrophobicContact CG1-CD2 4.44Å; V427-Y431 HydrophobicContact CG1-CE2 4.19Å; V427-Y431 WeakPolarHBondContact O-CD2 3.37Å; T428-Y431 CarbonylContact O-C 3.21Å; T428-Y431 WeakPolarHBondContact O-CA 3.48Å; T428-Y431 PolarHBondContact O-N 3.29Å; K429-Y431 PolarHBondContact O-N 2.88Å; Y431-G433 VanDerWaalsContact C-N 3.34Å; Y431-V436 HydrophobicContact CD1-CG2 3.84Å; Y431-V436 HydrophobicContact CE1-CG1 4.21Å; Y431-V436 HydrophobicContact CE1-CG2 4.31Å
432	Q	82.5	Confident	89.6	Confident	148 Å²	148	66.8 Å²	66.8	69%	0.692	37%	0.368	S	S	*	.			trans	-76.4	-17.2	172.2	-75.2	176.9	-9.7	0	0	113.7	T428 K429	T428-Q432 PolarHBondContact O-N 3.39Å; K429-Q432 PolarHBondContact O-N 2.87Å
433	G	78.9	Confident	89.6	Confident	47 Å²	47	65.4 Å²	65.4	49%	0.485	36%	0.363	S	S	.	.	S	Bend	trans	-76.2	163.2	173.9	0	0	0	0	0	113.4	R325 Y431 V435	R325-G433 PolarHBondContact NH2-O 3.17Å; Y431-G433 VanDerWaalsContact C-N 3.34Å; G433-V435 PolarHBondContact O-N 2.82Å
434	D	69.8	Low	89.6	Confident	138 Å²	138	66.2 Å²	66.2	74%	0.738	37%	0.372	S	S	*	.	S	Bend	trans	-65.2	-41	-170.2	-57.4	-36.5	0	0	0	114.5	R325	R325-D434 PolarHBondContact NH1-O 3.13Å
435	V	79.3	Confident	89.5	Confident	76 Å²	76	67.1 Å²	67.1	46%	0.461	38%	0.376	S	S	.	.			trans	-113.8	125.5	-164.7	-175	0	0	0	0	112.3	R300 G433	R300-V435 VanDerWaalsContact NH1-CG2 3.35Å; G433-V435 PolarHBondContact O-N 2.82Å
436	V	89	Confident	89.6	Confident	11 Å²	11	66.8 Å²	66.8	7%	0.067	37%	0.367	C	S	.	.			trans	-97.1	113.7	169.1	-180	0	0	0	0	108.8	R325 T328 Y431 S438 C439	R325-V436 HydrophobicContact CB-CG2 4.47Å; R325-V436 HydrophobicContact CG-CG2 3.94Å; T328-V436 HydrophobicContact CG2-CG1 3.92Å; Y431-V436 HydrophobicContact CD1-CG2 3.84Å; Y431-V436 HydrophobicContact CE1-CG1 4.21Å; Y431-V436 HydrophobicContact CE1-CG2 4.31Å; V436-S438 WeakPolarHBondContact CG1-OG 3.27Å; V436-S438 PolarHBondContact O-N 3.24Å; V436-C439 HydrophobicContact CB-CB 4.21Å; V436-C439 HydrophobicContact CG1-CB 4.47Å; V436-C439 PolarHBondContact O-N 2.77Å
437	L	84.6	Confident	89.7	Confident	170 Å²	170	63.8 Å²	63.8	89%	0.89	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.2	-167.5	-151.1	79.1	0	0	0	114.9
438	S	89.5	Confident	89.7	Confident	82 Å²	82	65 Å²	65	57%	0.573	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-13.4	174	50	0	0	0	0	114	V436	V436-S438 WeakPolarHBondContact CG1-OG 3.27Å; V436-S438 PolarHBondContact O-N 3.24Å
439	C	94.4	Very high	89.9	Confident	8 Å²	8	68 Å²	68	5%	0.054	37%	0.373	C	S	.	.			trans	-100.4	103.8	-178.9	-60.7	0	0	0	0	109.5	E321 C324 V436	E321-C439 HydrophobicContact CG-CB 4.3Å; C324-C439 HydrophobicContact CB-CB 3.72Å; C324-C439 WeakPolarHBondContact CB-SG 3.44Å; C324-C439 WeakPolarHBondContact SG-CA 3.46Å; C324-C439 WeakPolarHBondContact SG-CB 3.16Å; C324-C439 CovalentContact SG-SG 2.04Å; C324-C439 PolarHBondContact SG-SG 3.07Å; V436-C439 HydrophobicContact CB-CB 4.21Å; V436-C439 HydrophobicContact CG1-CB 4.47Å; V436-C439 PolarHBondContact O-N 2.77Å
440	T	93.6	Very high	90	Very high	41 Å²	41	66 Å²	66	25%	0.252	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-91.7	155.5	176.5	57.5	0	0	0	0	111	T305 Y319	T305-T440 WeakPolarHBondContact CB-OG1 3.36Å; T305-T440 WeakPolarHBondContact CG2-O 3.42Å; T305-T440 WeakPolarHBondContact OG1-CB 3.37Å; T305-T440 PolarHBondContact OG1-OG1 2.86Å; Y319-T440 VanDerWaalsContact CE1-O 3.22Å; Y319-T440 WeakPolarHBondContact CE1-O 3.42Å; Y319-T440 PolarHBondContact OH-N 3.08Å; Y319-T440 VanDerWaalsContact OH-N 3.12Å; Y319-T440 PolarHBondContact OH-O 3.02Å
441	L	93.1	Very high	90.4	Very high	26 Å²	26	62.8 Å²	62.8	14%	0.136	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.3	174.6	-168	72.6	0	0	0	109.5	C301 S302 T305 E321 F445	C301-L441 CarbonylContact C-O 3.56Å; C301-L441 WeakPolarHBondContact CA-O 3.11Å; C301-L441 WeakPolarHBondContact CB-O 3.17Å; S302-L441 PolarHBondContact N-O 3.37Å; T305-L441 PolarHBondContact OG1-O 3.22Å; E321-L441 HydrophobicContact CB-CD1 4.27Å; L441-F445 HydrophobicContact CD1-CE1 4.28Å; L441-F445 HydrophobicContact CD1-CZ 4.42Å; L441-F445 HydrophobicContact CD2-CE1 3.63Å; L441-F445 HydrophobicContact CD2-CZ 3.89Å; L441-F445 HydrophobicContact CG-CD1 4.4Å; L441-F445 HydrophobicContact CG-CE1 3.9Å; L441-F445 HydrophobicContact CG-CZ 4.4Å
442	P	95	Very high	90.6	Very high	42 Å²	42	67 Å²	67	27%	0.273	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	144.1	177	29.5	-35	0	0	0	110.8	T305 A444 F445	T305-P442 HydrophobicContact CG2-CB 4.28Å; P442-A444 PolarHBondContact O-N 3.32Å; P442-A444 VanDerWaalsContact O-N 3.16Å; P442-F445 HydrophobicContact CG-CB 4.15Å; P442-F445 HydrophobicContact CG-CD1 4.34Å; P442-F445 WeakPolarHBondContact O-CD1 3.39Å
443	C	95.2	Very high	91.3	Very high	33 Å²	33	62 Å²	62	22%	0.223	35%	0.354	C	S	.	.	S	Bend	trans	-69.1	-11.8	-176.3	-64.6	0	0	0	0	115.5	T292 Q293 C301	T292-C443 CarbonylContact C-O 3.52Å; T292-C443 WeakPolarHBondContact CA-O 3.31Å; Q293-C443 PolarHBondContact N-O 2.97Å; C301-C443 HydrophobicContact CB-CB 3.81Å; C301-C443 WeakPolarHBondContact CB-SG 3.2Å; C301-C443 WeakPolarHBondContact SG-CA 3.39Å; C301-C443 WeakPolarHBondContact SG-CB 3.38Å; C301-C443 CovalentContact SG-SG 2.04Å; C301-C443 PolarHBondContact SG-SG 3.36Å
444	A	94.2	Very high	92.1	Very high	56 Å²	56	63 Å²	63	46%	0.463	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	129.2	168.1	0	0	0	0	0	110.2	H291 P442	H291-A444 WeakPolarHBondContact O-CA 3.35Å; P442-A444 PolarHBondContact O-N 3.32Å; P442-A444 VanDerWaalsContact O-N 3.16Å
445	F	94.5	Very high	93.4	Very high	43 Å²	43	59.6 Å²	59.6	19%	0.189	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.6	179.4	59.5	-82.3	0	0	0	111.8	K290 H291 Q293 L441 P442	K290-F445 WeakPolarHBondContact CA-O 3.35Å; H291-F445 HydrophobicContact CB-CD1 4.12Å; H291-F445 HydrophobicContact CB-CD2 4.27Å; H291-F445 HydrophobicContact CB-CE1 3.69Å; H291-F445 HydrophobicContact CB-CE2 3.85Å; H291-F445 HydrophobicContact CB-CG 4.4Å; H291-F445 HydrophobicContact CB-CZ 3.54Å; H291-F445 AromaticContact CD2-CE2 3.58Å; H291-F445 AromaticContact CG-CE2 3.84Å; H291-F445 AromaticContact CG-CZ 3.79Å; H291-F445 PolarHBondContact N-O 3.11Å; H291-F445 PolarHBondContact O-N 3.17Å; H291-F445 VanDerWaalsContact O-N 3.08Å; Q293-F445 HydrophobicContact CG-CE1 4.29Å; L441-F445 HydrophobicContact CD1-CE1 4.28Å; L441-F445 HydrophobicContact CD1-CZ 4.42Å; L441-F445 HydrophobicContact CD2-CE1 3.63Å; L441-F445 HydrophobicContact CD2-CZ 3.89Å; L441-F445 HydrophobicContact CG-CD1 4.4Å; L441-F445 HydrophobicContact CG-CE1 3.9Å; L441-F445 HydrophobicContact CG-CZ 4.4Å; P442-F445 HydrophobicContact CG-CB 4.15Å; P442-F445 HydrophobicContact CG-CD1 4.34Å; P442-F445 WeakPolarHBondContact O-CD1 3.39Å
446	F	95.1	Very high	94.2	Very high	52 Å²	52	62.3 Å²	62.3	23%	0.228	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	150.7	168.9	-65.6	-82.6	0	0	0	110.3	P91 N262 T288 I289 K290 V526	P91-F446 VanDerWaalsContact CD-CE2 3.49Å; P91-F446 HydrophobicContact CG-CD2 3.61Å; P91-F446 HydrophobicContact CG-CE2 3.81Å; P91-F446 HydrophobicContact CG-CG 4.05Å; P91-F446 HydrophobicContact CG-CZ 4.4Å; N262-F446 PolarHBondContact ND2-O 3.23Å; N262-F446 PolarHBondContact OD1-O 2.87Å; T288-F446 HydrophobicContact CG2-CD1 3.78Å; T288-F446 HydrophobicContact CG2-CE1 4.35Å; I289-F446 CarbonylContact O-C 3.54Å; I289-F446 VanDerWaalsContact O-CA 3.25Å; I289-F446 WeakPolarHBondContact O-CA 3.13Å; K290-F446 HydrophobicContact CB-CD1 4.02Å; K290-F446 HydrophobicContact CB-CE1 3.96Å; K290-F446 HydrophobicContact CD-CE1 4.04Å; K290-F446 HydrophobicContact CD-CZ 4.18Å; K290-F446 HydrophobicContact CG-CD1 4.42Å; K290-F446 HydrophobicContact CG-CE1 4.2Å; F446-V526 HydrophobicContact CE1-CG1 4.42Å
447	A	95.2	Very high	94.5	Very high	26 Å²	26	63.4 Å²	63.4	22%	0.215	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	163.6	170	0	0	0	0	0	108.6	I289	I289-A447 HydrophobicContact CB-CB 4.49Å; I289-A447 PolarHBondContact N-O 3.34Å; I289-A447 PolarHBondContact O-N 3.22Å
448	Y	95.9	Very high	95	Very high	36 Å²	36	55.7 Å²	55.7	14%	0.141	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	125.7	-172	-59.9	-75.7	0	0	0	111.4	P91 P93 N262 V286 K287 T288	P91-Y448 PolarHBondContact O-OH 2.91Å; P93-Y448 HydrophobicContact CB-CD1 4.44Å; P93-Y448 HydrophobicContact CB-CD2 3.88Å; P93-Y448 HydrophobicContact CB-CE1 4.32Å; P93-Y448 HydrophobicContact CB-CE2 3.74Å; P93-Y448 HydrophobicContact CB-CG 4.22Å; P93-Y448 HydrophobicContact CG-CD1 4.4Å; P93-Y448 HydrophobicContact CG-CE1 4.37Å; N262-Y448 WeakPolarHBondContact OD1-CD2 3.41Å; N262-Y448 WeakPolarHBondContact OD1-CE2 3.35Å; V286-Y448 HydrophobicContact CG1-CD1 3.6Å; V286-Y448 HydrophobicContact CG1-CG 3.96Å; K287-Y448 WeakPolarHBondContact O-CA 3.33Å; T288-Y448 HydrophobicContact CG2-CD1 4.32Å; T288-Y448 HydrophobicContact CG2-CE1 3.81Å
449	E	95.5	Very high	95.2	Very high	101 Å²	101	56 Å²	56	47%	0.472	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.1	165.8	-83.7	174.1	-161.7	0	0	109.3	V286 K287 I289	V286-E449 WeakPolarHBondContact CA-O 3.43Å; K287-E449 HydrophobicContact CB-CB 4.18Å; K287-E449 HydrophobicContact CD-CB 4Å; K287-E449 VanDerWaalsContact CD-OE2 3.28Å; K287-E449 WeakPolarHBondContact CD-OE2 2.88Å; K287-E449 PolarHBondContact N-O 2.92Å; K287-E449 IonicContact NZ-OE2 2.7Å; K287-E449 PolarHBondContact O-N 3.45Å; K287-E449 VanDerWaalsContact O-N 3.13Å; I289-E449 HydrophobicContact CD1-CG 3.81Å; I289-E449 WeakPolarHBondContact CD1-OE1 3.04Å
450	T	95.9	Very high	95	Very high	56 Å²	56	58.4 Å²	58.4	34%	0.344	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.5	-179.5	56.9	0	0	0	0	112.2	V260 I284 K285	V260-T450 HydrophobicContact CB-CG2 3.89Å; V260-T450 HydrophobicContact CG1-CG2 4.17Å; V260-T450 HydrophobicContact CG2-CG2 3.95Å; I284-T450 HydrophobicContact CG2-CG2 3.85Å; K285-T450 WeakPolarHBondContact O-CA 3.41Å
451	D	96.3	Very high	94.8	Very high	75 Å²	75	60.7 Å²	60.7	40%	0.401	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	140	165.2	-50.6	-50.1	0	0	0	109.3	I284 K285 K287	I284-D451 CarbonylContact C-O 3.58Å; I284-D451 WeakPolarHBondContact CA-O 3.22Å; K285-D451 HydrophobicContact CB-CB 4.35Å; K285-D451 PolarHBondContact N-O 3.23Å; K285-D451 PolarHBondContact O-N 3.24Å; K287-D451 WeakPolarHBondContact CE-OD2 3.41Å; K287-D451 IonicContact NZ-OD1 3.22Å; K287-D451 PolarHBondContact NZ-OD1 3.08Å; K287-D451 IonicContact NZ-OD2 2.68Å; K287-D451 PolarHBondContact NZ-OD2 3.36Å
452	R	95	Very high	94.8	Very high	141 Å²	141	63.2 Å²	63.2	53%	0.532	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.9	-178.6	-176.1	179.3	59.9	179.9	-4.9	112.1	N275 T282 E283	N275-R452 PolarHBondContact O-NH1 3.17Å; T282-R452 HydrophobicContact CG2-CG 3.61Å; E283-R452 WeakPolarHBondContact O-CA 3.24Å
453	S	96.5	Very high	94.7	Very high	42 Å²	42	61.2 Å²	61.2	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.5	167.6	45.6	0	0	0	0	111.1	E283 K285	E283-S453 PolarHBondContact N-O 3.24Å; E283-S453 PolarHBondContact O-N 2.7Å; E283-S453 PolarHBondContact OE2-OG 2.96Å; K285-S453 PolarHBondContact NZ-OG 2.99Å
454	T	97	Very high	94.4	Very high	68 Å²	68	60.7 Å²	60.7	42%	0.417	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139	-173.1	-60.5	0	0	0	0	111	L281 T282	L281-T454 CarbonylContact O-C 3.59Å; L281-T454 VanDerWaalsContact O-CA 3.32Å; L281-T454 WeakPolarHBondContact O-CA 3.2Å; T282-T454 WeakPolarHBondContact OG1-CG2 3.36Å; T282-T454 PolarHBondContact OG1-OG1 3.42Å
455	S	96.7	Very high	94.2	Very high	66 Å²	66	61.8 Å²	61.8	46%	0.462	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	166.3	175	59.8	0	0	0	0	111.4	S280 L281	S280-S455 CarbonylContact C-O 2.82Å; S280-S455 WeakPolarHBondContact CA-O 3.28Å; S280-S455 VanDerWaalsContact CB-O 3.3Å; S280-S455 WeakPolarHBondContact CB-O 3.32Å; L281-S455 PolarHBondContact N-O 3.16Å; L281-S455 PolarHBondContact O-N 3.49Å
456	T	96.2	Very high	94.1	Very high	133 Å²	133	60.3 Å²	60.3	82%	0.816	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.5	178.1	42.8	0	0	0	0	111.7
457	W	95.5	Very high	93.9	Very high	35 Å²	35	58.5 Å²	58.5	13%	0.133	32%	0.323	C	S	.	.			trans	-163	146.5	-179.1	174.1	94.6	0	0	0	110.5	F229 G279 S280 L281 W462 L514 L515 A516	F229-W457 HydrophobicContact CB-CH2 4.29Å; F229-W457 AromaticContact CD1-CH2 3.9Å; F229-W457 HydrophobicContact CD1-CH2 3.9Å; F229-W457 AromaticContact CD1-CZ2 3.93Å; F229-W457 HydrophobicContact CD1-CZ2 3.93Å; F229-W457 HydrophobicContact CE1-CH2 4.48Å; F229-W457 HydrophobicContact CE1-CZ2 4.06Å; F229-W457 HydrophobicContact CG-CH2 4.01Å; F229-W457 HydrophobicContact CG-CZ2 4.22Å; F229-W457 HydrophobicContact CZ-CZ2 4.41Å; G279-W457 CarbonylContact C-O 3.56Å; G279-W457 WeakPolarHBondContact CA-O 3.48Å; G279-W457 PolarHBondContact O-N 2.9Å; G279-W457 VanDerWaalsContact O-O 3.06Å; S280-W457 PolarHBondContact N-O 2.93Å; L281-W457 HydrophobicContact CB-CB 3.78Å; L281-W457 HydrophobicContact CB-CG 4.14Å; W457-W462 AromaticContact CH2-CH2 3.93Å; W457-W462 HydrophobicContact CH2-CH2 3.93Å; W457-W462 HydrophobicContact CH2-CZ3 4.23Å; W457-W462 HydrophobicContact CZ2-CE3 4.44Å; W457-W462 AromaticContact CZ2-CH2 3.39Å; W457-W462 HydrophobicContact CZ2-CH2 3.39Å; W457-W462 AromaticContact CZ2-CZ2 3.72Å; W457-W462 HydrophobicContact CZ2-CZ2 3.72Å; W457-W462 AromaticContact CZ2-CZ3 3.8Å; W457-W462 HydrophobicContact CZ2-CZ3 3.8Å; W457-L514 HydrophobicContact CH2-CB 4.32Å; W457-L514 HydrophobicContact CZ3-CB 3.78Å; W457-L515 VanDerWaalsContact CZ3-C 3.47Å; W457-A516 HydrophobicContact CD2-CB 3.85Å; W457-A516 HydrophobicContact CE3-CB 3.62Å; W457-A516 HydrophobicContact CH2-CB 3.92Å; W457-A516 HydrophobicContact CZ2-CB 4.1Å; W457-A516 HydrophobicContact CZ3-CB 3.67Å
458	P	95	Very high	93.7	Very high	8 Å²	8	59.5 Å²	59.5	5%	0.052	33%	0.329	C	S	.	.			cis	-94.4	162.5	-2.3	31.8	-29.6	0	0	0	113.8	W462 Q463 L514	P458-W462 HydrophobicContact CB-CB 4.45Å; P458-W462 HydrophobicContact CB-CD2 3.93Å; P458-W462 HydrophobicContact CB-CE3 3.3Å; P458-W462 HydrophobicContact CB-CG 4.42Å; P458-W462 HydrophobicContact CB-CZ3 3.82Å; P458-W462 HydrophobicContact CG-CE3 3.87Å; P458-W462 HydrophobicContact CG-CZ3 4.01Å; P458-Q463 HydrophobicContact CB-CG 4.11Å; P458-Q463 HydrophobicContact CG-CG 3.56Å; P458-Q463 PolarHBondContact O-NE2 3.19Å; P458-L514 HydrophobicContact CG-CD1 3.84Å
459	T	92.8	Very high	93.4	Very high	88 Å²	88	60.5 Å²	60.5	54%	0.54	34%	0.339	S	S	.	.			trans	-71.8	153.6	171.1	60.6	0	0	0	0	112.1	S461 W462 Q463	T459-S461 VanDerWaalsContact C-N 3.28Å; T459-S461 PolarHBondContact O-N 3.02Å; T459-S461 PolarHBondContact OG1-OG 3.4Å; T459-W462 PolarHBondContact O-N 2.86Å; T459-W462 VanDerWaalsContact O-N 3.08Å; T459-W462 WeakPolarHBondContact OG1-CB 3.48Å; T459-W462 PolarHBondContact OG1-N 3.25Å; T459-Q463 VanDerWaalsContact O-CG 3.29Å; T459-Q463 WeakPolarHBondContact O-CG 3.17Å; T459-Q463 PolarHBondContact O-N 2.83Å
460	K	90.6	Very high	92.9	Very high	58 Å²	58	66.3 Å²	66.3	25%	0.252	36%	0.356	S	S	.	.	H	α-helix	trans	-55.5	-38.7	178	-68.6	-54.9	-163	-173.6	0	113.6	Q463 L464 Y484 L504 S507 E511	K460-Q463 WeakPolarHBondContact O-CB 3.32Å; K460-Q463 PolarHBondContact O-N 2.89Å; K460-L464 PolarHBondContact O-N 2.91Å; K460-Y484 PolarHBondContact NZ-OH 3.06Å; K460-L504 HydrophobicContact CB-CD1 4.42Å; K460-L504 HydrophobicContact CD-CB 4.16Å; K460-L504 HydrophobicContact CD-CD2 4.45Å; K460-L504 WeakPolarHBondContact CE-O 3.36Å; K460-L504 HydrophobicContact CG-CB 4.42Å; K460-L504 PolarHBondContact NZ-O 3.11Å; K460-L504 VanDerWaalsContact NZ-O 3.12Å; K460-S507 PolarHBondContact NZ-O 3.45Å; K460-E511 WeakPolarHBondContact CD-OE1 2.99Å; K460-E511 WeakPolarHBondContact CE-OE1 3.48Å; K460-E511 VanDerWaalsContact NZ-CD 3.33Å; K460-E511 IonicContact NZ-OE1 2.59Å; K460-E511 PolarHBondContact NZ-OE1 2.93Å; K460-E511 IonicContact NZ-OE2 2.71Å; K460-E511 PolarHBondContact NZ-OE2 2.89Å
461	S	89.1	Confident	92.3	Very high	89 Å²	89	64.7 Å²	64.7	62%	0.622	35%	0.348	S	S	*	.	H	α-helix	trans	-66.1	-41.5	175.5	51.4	0	0	0	0	112.7	T459 S465	T459-S461 VanDerWaalsContact C-N 3.28Å; T459-S461 PolarHBondContact O-N 3.02Å; T459-S461 PolarHBondContact OG1-OG 3.4Å; S461-S465 PolarHBondContact O-N 3.13Å
462	W	92.9	Very high	91.8	Very high	79 Å²	79	61.1 Å²	61.1	30%	0.299	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-39.7	173.9	-174.1	98.5	0	0	0	111.6	F229 W457 P458 T459 L464 S465 W466 L514	F229-W462 HydrophobicContact CE2-CZ2 4.21Å; W457-W462 AromaticContact CH2-CH2 3.93Å; W457-W462 HydrophobicContact CH2-CH2 3.93Å; W457-W462 HydrophobicContact CH2-CZ3 4.23Å; W457-W462 HydrophobicContact CZ2-CE3 4.44Å; W457-W462 AromaticContact CZ2-CH2 3.39Å; W457-W462 HydrophobicContact CZ2-CH2 3.39Å; W457-W462 AromaticContact CZ2-CZ2 3.72Å; W457-W462 HydrophobicContact CZ2-CZ2 3.72Å; W457-W462 AromaticContact CZ2-CZ3 3.8Å; W457-W462 HydrophobicContact CZ2-CZ3 3.8Å; P458-W462 HydrophobicContact CB-CB 4.45Å; P458-W462 HydrophobicContact CB-CD2 3.93Å; P458-W462 HydrophobicContact CB-CE3 3.3Å; P458-W462 HydrophobicContact CB-CG 4.42Å; P458-W462 HydrophobicContact CB-CZ3 3.82Å; P458-W462 HydrophobicContact CG-CE3 3.87Å; P458-W462 HydrophobicContact CG-CZ3 4.01Å; T459-W462 PolarHBondContact O-N 2.86Å; T459-W462 VanDerWaalsContact O-N 3.08Å; T459-W462 WeakPolarHBondContact OG1-CB 3.48Å; T459-W462 PolarHBondContact OG1-N 3.25Å; W462-L464 PolarHBondContact O-N 2.96Å; W462-S465 PolarHBondContact O-N 2.99Å; W462-W466 HydrophobicContact CD2-CB 4.15Å; W462-W466 HydrophobicContact CE3-CB 3.64Å; W462-W466 HydrophobicContact CE3-CG 4.2Å; W462-W466 HydrophobicContact CH2-CB 3.67Å; W462-W466 AromaticContact CH2-CD1 3.28Å; W462-W466 HydrophobicContact CH2-CD2 4.19Å; W462-W466 AromaticContact CH2-CG 3.42Å; W462-W466 HydrophobicContact CH2-CG 3.42Å; W462-W466 VanDerWaalsContact CH2-CG 3.42Å; W462-W466 AromaticContact CH2-NE1 3.97Å; W462-W466 HydrophobicContact CZ2-CB 4.14Å; W462-W466 AromaticContact CZ2-CD1 3.86Å; W462-W466 HydrophobicContact CZ2-CG 4.17Å; W462-W466 HydrophobicContact CZ3-CB 3.39Å; W462-W466 AromaticContact CZ3-CD1 3.82Å; W462-W466 HydrophobicContact CZ3-CD2 4.02Å; W462-W466 AromaticContact CZ3-CG 3.43Å; W462-W466 HydrophobicContact CZ3-CG 3.43Å; W462-W466 VanDerWaalsContact CZ3-CG 3.43Å; W462-W466 WeakPolarHBondContact O-CB 3.29Å; W462-W466 PolarHBondContact O-N 2.96Å; W462-L514 HydrophobicContact CZ3-CD1 4.16Å
463	Q	92.7	Very high	91.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.4	-47.9	178.9	-71.3	166.4	31.3	0	0	112.3	P458 T459 K460 S465 W466 L467 Y484 L510 E511	P458-Q463 HydrophobicContact CB-CG 4.11Å; P458-Q463 HydrophobicContact CG-CG 3.56Å; P458-Q463 PolarHBondContact O-NE2 3.19Å; T459-Q463 VanDerWaalsContact O-CG 3.29Å; T459-Q463 WeakPolarHBondContact O-CG 3.17Å; T459-Q463 PolarHBondContact O-N 2.83Å; K460-Q463 WeakPolarHBondContact O-CB 3.32Å; K460-Q463 PolarHBondContact O-N 2.89Å; Q463-S465 PolarHBondContact O-N 2.94Å; Q463-W466 PolarHBondContact O-N 2.97Å; Q463-L467 WeakPolarHBondContact O-CG 3.48Å; Q463-L467 PolarHBondContact O-N 2.88Å; Q463-Y484 HydrophobicContact CB-CE1 4.09Å; Q463-Y484 VanDerWaalsContact OE1-CZ 3.27Å; Q463-Y484 PolarHBondContact OE1-OH 2.85Å; Q463-L510 HydrophobicContact CB-CD1 3.8Å; Q463-L510 HydrophobicContact CG-CB 4.22Å; Q463-L510 HydrophobicContact CG-CD1 4.03Å; Q463-E511 PolarHBondContact NE2-OE1 3.07Å; Q463-E511 PolarHBondContact OE1-OE1 3.47Å
464	L	90.3	Very high	90.9	Very high	22 Å²	22	65.6 Å²	65.6	12%	0.115	35%	0.347	C	S	.	.	H	α-helix	trans	-61.5	-42.1	176.7	-70.7	166.6	0	0	0	112.7	K460 W462 S468 A487 K488 L491 L504	K460-L464 PolarHBondContact O-N 2.91Å; W462-L464 PolarHBondContact O-N 2.96Å; L464-S468 PolarHBondContact O-OG 3.25Å; L464-A487 HydrophobicContact CD2-CB 4.47Å; L464-K488 HydrophobicContact CD2-CB 4.15Å; L464-L491 HydrophobicContact CD1-CD1 3.47Å; L464-L491 VanDerWaalsContact CD1-CD1 3.47Å; L464-L504 HydrophobicContact CD1-CD1 3.85Å; L464-L504 HydrophobicContact CD2-CD2 4.38Å; L464-L504 HydrophobicContact CG-CD1 4.33Å
465	S	90.4	Very high	90.3	Very high	80 Å²	80	62.9 Å²	62.9	56%	0.559	33%	0.331	S	S	*	.	H	α-helix	trans	-63.7	-48.4	175.3	-175.9	0	0	0	0	111.1	S461 W462 Q463 L467 S468	S461-S465 PolarHBondContact O-N 3.13Å; W462-S465 PolarHBondContact O-N 2.99Å; Q463-S465 PolarHBondContact O-N 2.94Å; S465-L467 VanDerWaalsContact C-N 3.34Å; S465-L467 PolarHBondContact O-N 2.92Å; S465-S468 WeakPolarHBondContact O-CA 3.44Å; S465-S468 WeakPolarHBondContact O-CB 3.37Å; S465-S468 PolarHBondContact O-N 3.05Å; S465-S468 PolarHBondContact O-OG 3Å
466	W	92.1	Very high	89.7	Confident	12 Å²	12	60.5 Å²	60.5	5%	0.045	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-38.5	179.5	175.4	79.1	0	0	0	113.1	I176 W462 Q463 S468 T469 A471 G472 V475 L510 L514	I176-W466 HydrophobicContact CD1-CH2 4.27Å; I176-W466 HydrophobicContact CD1-CZ2 3.46Å; I176-W466 VanDerWaalsContact CD1-CZ2 3.46Å; W462-W466 HydrophobicContact CD2-CB 4.15Å; W462-W466 HydrophobicContact CE3-CB 3.64Å; W462-W466 HydrophobicContact CE3-CG 4.2Å; W462-W466 HydrophobicContact CH2-CB 3.67Å; W462-W466 AromaticContact CH2-CD1 3.28Å; W462-W466 HydrophobicContact CH2-CD2 4.19Å; W462-W466 AromaticContact CH2-CG 3.42Å; W462-W466 HydrophobicContact CH2-CG 3.42Å; W462-W466 VanDerWaalsContact CH2-CG 3.42Å; W462-W466 AromaticContact CH2-NE1 3.97Å; W462-W466 HydrophobicContact CZ2-CB 4.14Å; W462-W466 AromaticContact CZ2-CD1 3.86Å; W462-W466 HydrophobicContact CZ2-CG 4.17Å; W462-W466 HydrophobicContact CZ3-CB 3.39Å; W462-W466 AromaticContact CZ3-CD1 3.82Å; W462-W466 HydrophobicContact CZ3-CD2 4.02Å; W462-W466 AromaticContact CZ3-CG 3.43Å; W462-W466 HydrophobicContact CZ3-CG 3.43Å; W462-W466 VanDerWaalsContact CZ3-CG 3.43Å; W462-W466 WeakPolarHBondContact O-CB 3.29Å; W462-W466 PolarHBondContact O-N 2.96Å; Q463-W466 PolarHBondContact O-N 2.97Å; W466-S468 PolarHBondContact O-N 2.78Å; W466-T469 VanDerWaalsContact O-CB 3.3Å; W466-T469 WeakPolarHBondContact O-CB 3.44Å; W466-T469 WeakPolarHBondContact O-CG2 3.49Å; W466-T469 PolarHBondContact O-N 2.74Å; W466-T469 PolarHBondContact O-OG1 3.09Å; W466-A471 HydrophobicContact CZ2-CB 4.36Å; W466-G472 WeakPolarHBondContact O-CA 3.5Å; W466-V475 HydrophobicContact CH2-CG2 3.5Å; W466-V475 HydrophobicContact CZ3-CG2 3.76Å; W466-L510 HydrophobicContact CE3-CD1 4.49Å; W466-L510 HydrophobicContact CZ3-CD1 4.47Å; W466-L510 HydrophobicContact CZ3-CD2 3.93Å; W466-L514 HydrophobicContact CE3-CD1 4.2Å; W466-L514 HydrophobicContact CH2-CD2 3.9Å; W466-L514 HydrophobicContact CZ2-CD2 4.11Å; W466-L514 HydrophobicContact CZ3-CD1 4.16Å; W466-L514 HydrophobicContact CZ3-CD2 4.31Å
467	L	90.9	Very high	89.2	Confident	13 Å²	13	60.9 Å²	60.9	7%	0.068	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.2	173.4	-73.5	170.7	0	0	0	113.5	Q463 S465 V475 A476 L481 Y484 L510	Q463-L467 WeakPolarHBondContact O-CG 3.48Å; Q463-L467 PolarHBondContact O-N 2.88Å; S465-L467 VanDerWaalsContact C-N 3.34Å; S465-L467 PolarHBondContact O-N 2.92Å; L467-V475 HydrophobicContact CD2-CG2 4.4Å; L467-A476 HydrophobicContact CD2-CB 3.95Å; L467-L481 HydrophobicContact CD2-CD1 4.26Å; L467-Y484 HydrophobicContact CD1-CD1 3.9Å; L467-Y484 HydrophobicContact CD1-CG 4.04Å; L467-L510 HydrophobicContact CD1-CD1 4.08Å; L467-L510 HydrophobicContact CD2-CD1 4.33Å; L467-L510 HydrophobicContact CG-CD1 4.19Å
468	S	89.6	Confident	88.6	Confident	48 Å²	48	62.2 Å²	62.2	34%	0.336	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-19.7	174.1	-46.6	0	0	0	0	113.7	L464 S465 W466 K473 K488	L464-S468 PolarHBondContact O-OG 3.25Å; S465-S468 WeakPolarHBondContact O-CA 3.44Å; S465-S468 WeakPolarHBondContact O-CB 3.37Å; S465-S468 PolarHBondContact O-N 3.05Å; S465-S468 PolarHBondContact O-OG 3Å; W466-S468 PolarHBondContact O-N 2.78Å; S468-K473 WeakPolarHBondContact O-CE 2.95Å; S468-K473 PolarHBondContact O-NZ 3.38Å; S468-K473 VanDerWaalsContact O-NZ 3.15Å; S468-K488 PolarHBondContact OG-NZ 2.94Å
469	T	89.5	Confident	88.1	Confident	57 Å²	57	66.4 Å²	66.4	35%	0.35	34%	0.344	S	S	.	.	S	Bend	trans	-72.6	165.9	-176.3	71.1	0	0	0	0	112.3	W466 A471 G472 K473	W466-T469 VanDerWaalsContact O-CB 3.3Å; W466-T469 WeakPolarHBondContact O-CB 3.44Å; W466-T469 WeakPolarHBondContact O-CG2 3.49Å; W466-T469 PolarHBondContact O-N 2.74Å; W466-T469 PolarHBondContact O-OG1 3.09Å; T469-A471 PolarHBondContact O-N 3.26Å; T469-A471 PolarHBondContact OG1-N 3.11Å; T469-G472 PolarHBondContact O-N 2.87Å; T469-G472 PolarHBondContact OG1-N 2.93Å; T469-K473 VanDerWaalsContact O-CB 3.32Å; T469-K473 WeakPolarHBondContact O-CB 3.08Å; T469-K473 VanDerWaalsContact O-CG 3.29Å; T469-K473 WeakPolarHBondContact O-CG 3.33Å; T469-K473 PolarHBondContact O-N 2.96Å
470	R	85.7	Confident	87.7	Confident	222 Å²	222	63.5 Å²	63.5	84%	0.838	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.3	174	-170.5	-172.7	-69.8	160.9	-3.2	112.6
471	A	82.8	Confident	87.7	Confident	22 Å²	22	60.8 Å²	60.8	18%	0.182	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-54.8	176.3	0	0	0	0	0	111.3	I176 W466 T469 K473 K474	I176-A471 HydrophobicContact CB-CB 4.39Å; W466-A471 HydrophobicContact CZ2-CB 4.36Å; T469-A471 PolarHBondContact O-N 3.26Å; T469-A471 PolarHBondContact OG1-N 3.11Å; A471-K473 VanDerWaalsContact C-N 3.28Å; A471-K473 PolarHBondContact O-N 2.66Å; A471-K474 WeakPolarHBondContact O-CB 3.41Å; A471-K474 PolarHBondContact O-N 2.99Å
472	G	87.3	Confident	87.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-35.8	-178.8	0	0	0	0	0	113.7	W466 T469 K474 V475 A476	W466-G472 WeakPolarHBondContact O-CA 3.5Å; T469-G472 PolarHBondContact O-N 2.87Å; T469-G472 PolarHBondContact OG1-N 2.93Å; G472-K474 PolarHBondContact O-N 3.22Å; G472-K474 VanDerWaalsContact O-N 3.15Å; G472-V475 VanDerWaalsContact O-CG2 3.32Å; G472-V475 WeakPolarHBondContact O-CG2 3.35Å; G472-V475 PolarHBondContact O-N 3.35Å; G472-A476 WeakPolarHBondContact O-CB 3.4Å; G472-A476 PolarHBondContact O-N 3.29Å
473	K	88.3	Confident	87.5	Confident	137 Å²	137	56.4 Å²	56.4	60%	0.596	29%	0.294	S	S	*	.	H	α-helix	trans	-59.3	-22.3	174.2	-79	172.4	171.1	162.6	0	114.6	S468 T469 A471	S468-K473 WeakPolarHBondContact O-CE 2.95Å; S468-K473 PolarHBondContact O-NZ 3.38Å; S468-K473 VanDerWaalsContact O-NZ 3.15Å; T469-K473 VanDerWaalsContact O-CB 3.32Å; T469-K473 WeakPolarHBondContact O-CB 3.08Å; T469-K473 VanDerWaalsContact O-CG 3.29Å; T469-K473 WeakPolarHBondContact O-CG 3.33Å; T469-K473 PolarHBondContact O-N 2.96Å; A471-K473 VanDerWaalsContact C-N 3.28Å; A471-K473 PolarHBondContact O-N 2.66Å
474	K	83	Confident	87.4	Confident	140 Å²	140	56.5 Å²	56.5	61%	0.609	30%	0.295	S	S	*	.	H	α-helix	trans	-68.9	-34	173.4	-68.7	-177.8	172.2	-177.7	0	112.6	S172 A471 G472	S172-K474 PolarHBondContact O-NZ 2.91Å; A471-K474 WeakPolarHBondContact O-CB 3.41Å; A471-K474 PolarHBondContact O-N 2.99Å; G472-K474 PolarHBondContact O-N 3.22Å; G472-K474 VanDerWaalsContact O-N 3.15Å
475	V	84.2	Confident	87.4	Confident	12 Å²	12	60.8 Å²	60.8	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-101	-24.7	-177.3	-61.4	0	0	0	0	113.3	Y231 W466 L467 G472 N477 R478 L481	Y231-V475 HydrophobicContact CD1-CG1 4.38Å; Y231-V475 HydrophobicContact CD2-CG1 4.37Å; Y231-V475 HydrophobicContact CE1-CG1 4.02Å; Y231-V475 HydrophobicContact CE2-CB 4.4Å; Y231-V475 HydrophobicContact CE2-CG1 4.01Å; Y231-V475 HydrophobicContact CE2-CG2 4.41Å; W466-V475 HydrophobicContact CH2-CG2 3.5Å; W466-V475 HydrophobicContact CZ3-CG2 3.76Å; L467-V475 HydrophobicContact CD2-CG2 4.4Å; G472-V475 VanDerWaalsContact O-CG2 3.32Å; G472-V475 WeakPolarHBondContact O-CG2 3.35Å; G472-V475 PolarHBondContact O-N 3.35Å; V475-N477 PolarHBondContact O-N 3.46Å; V475-R478 VanDerWaalsContact O-CB 3.31Å; V475-R478 WeakPolarHBondContact O-CB 3.24Å; V475-R478 WeakPolarHBondContact O-CG 3.45Å; V475-R478 PolarHBondContact O-N 3.34Å; V475-L481 HydrophobicContact CB-CD1 4.32Å; V475-L481 HydrophobicContact CG2-CD1 4.15Å; V475-L481 WeakPolarHBondContact O-CD1 3.49Å
476	A	85.1	Confident	87.4	Confident	16 Å²	16	59.9 Å²	59.9	13%	0.132	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-24.5	-172.1	0	0	0	0	0	115.8	L467 G472 R478 R485	L467-A476 HydrophobicContact CD2-CB 3.95Å; G472-A476 WeakPolarHBondContact O-CB 3.4Å; G472-A476 PolarHBondContact O-N 3.29Å; A476-R478 VanDerWaalsContact C-N 3.35Å; A476-R485 WeakPolarHBondContact O-CD 3.47Å
477	N	84.7	Confident	87.3	Confident	140 Å²	140	59.3 Å²	59.3	75%	0.749	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	1.1	178.6	-67.9	-7.1	0	0	0	114.2	V475	V475-N477 PolarHBondContact O-N 3.46Å
478	R	83.1	Confident	87.2	Confident	64 Å²	64	62.7 Å²	62.7	24%	0.242	31%	0.31	C	S	.	.	S	Bend	trans	-63.4	145.5	177.3	-79.4	-175.1	168	-148.9	-12.5	112.2	S105 Y231 D233 V475 A476 D480 L481	S105-R478 PolarHBondContact OG-NH2 3.05Å; Y231-R478 PolarHBondContact OH-NH1 2.95Å; D233-R478 IonicContact OD1-CZ 2.63Å; D233-R478 IonicContact OD1-NH1 3.19Å; D233-R478 PolarHBondContact OD1-NH1 3Å; D233-R478 IonicContact OD1-NH2 3.88Å; D233-R478 PolarHBondContact OD1-NH2 2.9Å; V475-R478 VanDerWaalsContact O-CB 3.31Å; V475-R478 WeakPolarHBondContact O-CB 3.24Å; V475-R478 WeakPolarHBondContact O-CG 3.45Å; V475-R478 PolarHBondContact O-N 3.34Å; A476-R478 VanDerWaalsContact C-N 3.35Å; R478-D480 VanDerWaalsContact C-N 3.28Å; R478-D480 PolarHBondContact O-N 2.96Å; R478-L481 HydrophobicContact CB-CD1 4.45Å; R478-L481 HydrophobicContact CB-CG 4.46Å; R478-L481 PolarHBondContact O-N 3.09Å
479	P	84.6	Confident	87.1	Confident	95 Å²	95	67 Å²	67	62%	0.617	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-64.2	-34.1	-178.1	26.9	-34.2	0	0	0	112.2	L481 V482	P479-L481 PolarHBondContact O-N 2.76Å; P479-V482 WeakPolarHBondContact O-CG2 3.27Å; P479-V482 PolarHBondContact O-N 2.93Å
480	D	85.3	Confident	87.2	Confident	28 Å²	28	67.7 Å²	67.7	15%	0.15	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-64	-19.9	173.4	37.5	-72.7	0	0	0	113.8	R478 V509	R478-D480 VanDerWaalsContact C-N 3.28Å; R478-D480 PolarHBondContact O-N 2.96Å; D480-V509 HydrophobicContact CB-CG1 4.09Å; D480-V509 HydrophobicContact CB-CG2 4.25Å
481	L	89.4	Confident	87.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-96.2	14.2	178.2	-66.9	177.2	0	0	0	114.6	L467 V475 R478 P479 G483 Y484 R485 V509 L510	L467-L481 HydrophobicContact CD2-CD1 4.26Å; V475-L481 HydrophobicContact CB-CD1 4.32Å; V475-L481 HydrophobicContact CG2-CD1 4.15Å; V475-L481 WeakPolarHBondContact O-CD1 3.49Å; R478-L481 HydrophobicContact CB-CD1 4.45Å; R478-L481 HydrophobicContact CB-CG 4.46Å; R478-L481 PolarHBondContact O-N 3.09Å; P479-L481 PolarHBondContact O-N 2.76Å; L481-G483 VanDerWaalsContact C-N 3.31Å; L481-G483 PolarHBondContact O-N 3.3Å; L481-Y484 HydrophobicContact CD2-CD2 3.45Å; L481-Y484 VanDerWaalsContact CD2-CD2 3.45Å; L481-Y484 HydrophobicContact CD2-CE2 3.85Å; L481-Y484 HydrophobicContact CD2-CG 4.19Å; L481-Y484 PolarHBondContact O-N 3.34Å; L481-Y484 VanDerWaalsContact O-N 3.12Å; L481-R485 PolarHBondContact O-N 3.24Å; L481-V509 HydrophobicContact CD2-CB 3.95Å; L481-V509 HydrophobicContact CD2-CG1 3.62Å; L481-V509 HydrophobicContact CG-CG1 4.22Å; L481-L510 HydrophobicContact CD1-CD2 4.21Å; L481-L510 HydrophobicContact CD2-CD1 4.46Å; L481-L510 HydrophobicContact CD2-CD2 3.82Å; L481-L510 HydrophobicContact CD2-CG 3.82Å
482	V	88.8	Confident	87.2	Confident	61 Å²	61	66.7 Å²	66.7	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-49.8	-48.2	174.7	166.2	0	0	0	0	112.4	P479 Y484 R485 L486	P479-V482 WeakPolarHBondContact O-CG2 3.27Å; P479-V482 PolarHBondContact O-N 2.93Å; V482-Y484 VanDerWaalsContact C-N 3.28Å; V482-Y484 PolarHBondContact O-N 3.13Å; V482-R485 VanDerWaalsContact CG2-NH2 3.35Å; V482-R485 PolarHBondContact O-N 2.89Å; V482-L486 HydrophobicContact CG1-CD1 3.91Å; V482-L486 HydrophobicContact CG1-CG 4.38Å; V482-L486 PolarHBondContact O-N 3.32Å
483	G	89	Confident	87.1	Confident	15 Å²	15	69.3 Å²	69.3	16%	0.155	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-35.1	-178.9	0	0	0	0	0	113.7	L481 A487	L481-G483 VanDerWaalsContact C-N 3.31Å; L481-G483 PolarHBondContact O-N 3.3Å; G483-A487 VanDerWaalsContact O-CB 3.31Å; G483-A487 WeakPolarHBondContact O-CB 3.39Å; G483-A487 PolarHBondContact O-N 3.03Å
484	Y	91.7	Very high	86.5	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-70.9	-32	175.8	-75.5	-88.3	0	0	0	113	K460 Q463 L467 L481 V482 K488 L504 S507 V509 L510 E511	K460-Y484 PolarHBondContact NZ-OH 3.06Å; Q463-Y484 HydrophobicContact CB-CE1 4.09Å; Q463-Y484 VanDerWaalsContact OE1-CZ 3.27Å; Q463-Y484 PolarHBondContact OE1-OH 2.85Å; L467-Y484 HydrophobicContact CD1-CD1 3.9Å; L467-Y484 HydrophobicContact CD1-CG 4.04Å; L481-Y484 HydrophobicContact CD2-CD2 3.45Å; L481-Y484 VanDerWaalsContact CD2-CD2 3.45Å; L481-Y484 HydrophobicContact CD2-CE2 3.85Å; L481-Y484 HydrophobicContact CD2-CG 4.19Å; L481-Y484 PolarHBondContact O-N 3.34Å; L481-Y484 VanDerWaalsContact O-N 3.12Å; V482-Y484 VanDerWaalsContact C-N 3.28Å; V482-Y484 PolarHBondContact O-N 3.13Å; Y484-K488 WeakPolarHBondContact O-CB 3.34Å; Y484-K488 PolarHBondContact O-N 3.27Å; Y484-K488 VanDerWaalsContact O-N 3.14Å; Y484-L504 HydrophobicContact CD1-CD2 3.41Å; Y484-L504 VanDerWaalsContact CD1-CD2 3.41Å; Y484-L504 HydrophobicContact CE1-CD2 3.39Å; Y484-L504 HydrophobicContact CG-CD2 4.19Å; Y484-S507 WeakPolarHBondContact CE2-OG 3.31Å; Y484-V509 HydrophobicContact CE2-CB 4.46Å; Y484-L510 HydrophobicContact CD1-CD1 3.98Å; Y484-L510 HydrophobicContact CE1-CD1 3.67Å; Y484-L510 HydrophobicContact CE1-CG 4.25Å; Y484-L510 HydrophobicContact CE2-CD1 4.33Å; Y484-L510 HydrophobicContact CE2-CG 4.1Å; Y484-L510 HydrophobicContact CG-CD1 4.43Å; Y484-E511 PolarHBondContact OH-OE2 3.47Å
485	R	90.2	Very high	86.4	Confident	112 Å²	112	70.4 Å²	70.4	42%	0.423	37%	0.373	S	S	.	.	H	α-helix	trans	-70.1	-45.5	175	-65.6	-169.6	-69.6	102	-6.7	111	A476 L481 V482 K488 E489	A476-R485 WeakPolarHBondContact O-CD 3.47Å; L481-R485 PolarHBondContact O-N 3.24Å; V482-R485 VanDerWaalsContact CG2-NH2 3.35Å; V482-R485 PolarHBondContact O-N 2.89Å; R485-K488 PolarHBondContact O-N 2.02Å; R485-E489 PolarHBondContact O-N 3.4Å
486	L	89.7	Confident	86.5	Confident	62 Å²	62	69.8 Å²	69.8	33%	0.325	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-45.1	176.1	-65.7	173	0	0	0	112.2	V482 K488 E489 K490 F503	V482-L486 HydrophobicContact CG1-CD1 3.91Å; V482-L486 HydrophobicContact CG1-CG 4.38Å; V482-L486 PolarHBondContact O-N 3.32Å; L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 3.05Å; L486-E489 PolarHBondContact O-N 2.93Å; L486-K490 PolarHBondContact O-N 3.16Å; L486-F503 HydrophobicContact CB-CD1 4.37Å; L486-F503 HydrophobicContact CB-CD2 4.25Å; L486-F503 HydrophobicContact CB-CE1 4.4Å; L486-F503 HydrophobicContact CB-CE2 4.29Å; L486-F503 HydrophobicContact CB-CG 4.32Å; L486-F503 HydrophobicContact CB-CZ 4.37Å; L486-F503 HydrophobicContact CD1-CD1 4.32Å; L486-F503 HydrophobicContact CD1-CE1 3.96Å; L486-F503 HydrophobicContact CD1-CZ 4.37Å
487	A	90.6	Very high	86.6	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-59.4	-38.2	175.4	0	0	0	0	0	112.2	L464 G483 L491 A500 F503 L504	L464-A487 HydrophobicContact CD2-CB 4.47Å; G483-A487 VanDerWaalsContact O-CB 3.31Å; G483-A487 WeakPolarHBondContact O-CB 3.39Å; G483-A487 PolarHBondContact O-N 3.03Å; A487-L491 WeakPolarHBondContact O-CG 3.41Å; A487-L491 PolarHBondContact O-N 3.4Å; A487-A500 HydrophobicContact CB-CB 4Å; A487-A500 VanDerWaalsContact O-CB 3.31Å; A487-A500 WeakPolarHBondContact O-CB 3.46Å; A487-F503 HydrophobicContact CB-CB 3.99Å; A487-L504 HydrophobicContact CB-CD1 4.06Å; A487-L504 HydrophobicContact CB-CD2 4.03Å; A487-L504 HydrophobicContact CB-CG 3.71Å
488	K	89.1	Confident	86.7	Confident	83 Å²	83	77.8 Å²	77.8	36%	0.361	40%	0.397	S	S	.	.	H	α-helix	trans	-69.9	-42.7	178	-171.2	173.1	-175.2	172.4	0	112.8	L464 S468 Y484 R485 L486 K490 L491	L464-K488 HydrophobicContact CD2-CB 4.15Å; S468-K488 PolarHBondContact OG-NZ 2.94Å; Y484-K488 WeakPolarHBondContact O-CB 3.34Å; Y484-K488 PolarHBondContact O-N 3.27Å; Y484-K488 VanDerWaalsContact O-N 3.14Å; R485-K488 PolarHBondContact O-N 2.02Å; L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 3.05Å; K488-K490 VanDerWaalsContact C-N 3.28Å; K488-K490 PolarHBondContact O-N 2.81Å; K488-L491 PolarHBondContact O-N 2.98Å
489	E	88.1	Confident	87	Confident	140 Å²	140	78.3 Å²	78.3	65%	0.654	40%	0.402	S	S	*	.	H	α-helix	trans	-61.6	-36.4	175.8	-176.4	176.2	178.9	0	0	111.9	R485 L486	R485-E489 PolarHBondContact O-N 3.4Å; L486-E489 PolarHBondContact O-N 2.93Å
490	K	89.8	Confident	87.2	Confident	71 Å²	71	73.9 Å²	73.9	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-71.3	-29.5	177.6	-77	-75.4	174.4	153.8	0	114.1	L486 K488 D492 S493 G496 E499 F503	L486-K490 PolarHBondContact O-N 3.16Å; K488-K490 VanDerWaalsContact C-N 3.28Å; K488-K490 PolarHBondContact O-N 2.81Å; K490-D492 PolarHBondContact O-N 3.05Å; K490-S493 WeakPolarHBondContact O-CB 3.37Å; K490-S493 PolarHBondContact O-N 2.87Å; K490-S493 PolarHBondContact O-OG 2.86Å; K490-G496 WeakPolarHBondContact O-CA 3.5Å; K490-E499 HydrophobicContact CB-CB 4.42Å; K490-E499 HydrophobicContact CD-CB 4.24Å; K490-E499 WeakPolarHBondContact CD-OE2 3.33Å; K490-E499 WeakPolarHBondContact CE-OE2 3.27Å; K490-E499 HydrophobicContact CG-CB 4.23Å; K490-E499 IonicContact NZ-OE1 2.71Å; K490-E499 PolarHBondContact NZ-OE1 3.12Å; K490-E499 IonicContact NZ-OE2 2.7Å; K490-E499 PolarHBondContact NZ-OE2 3.19Å; K490-F503 HydrophobicContact CG-CE2 4.35Å
491	L	87.4	Confident	87.4	Confident	70 Å²	70	79.2 Å²	79.2	37%	0.366	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.1	178.8	-76.1	165.9	0	0	0	114.3	L464 A487 K488 S493 E497 A500	L464-L491 HydrophobicContact CD1-CD1 3.47Å; L464-L491 VanDerWaalsContact CD1-CD1 3.47Å; A487-L491 WeakPolarHBondContact O-CG 3.41Å; A487-L491 PolarHBondContact O-N 3.4Å; K488-L491 PolarHBondContact O-N 2.98Å; L491-S493 PolarHBondContact O-N 2.91Å; L491-E497 HydrophobicContact CD2-CB 4.48Å; L491-E497 HydrophobicContact CD2-CG 3.96Å; L491-A500 HydrophobicContact CD1-CB 4.32Å; L491-A500 HydrophobicContact CD2-CB 4.05Å; L491-A500 HydrophobicContact CG-CB 3.81Å
492	D	82.1	Confident	87.4	Confident	153 Å²	153	84.3 Å²	84.3	82%	0.818	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	1.3	171.4	-65.3	-34.6	0	0	0	112.6	K490	K490-D492 PolarHBondContact O-N 3.05Å
493	S	85.8	Confident	87.5	Confident	55 Å²	55	84.5 Å²	84.5	39%	0.385	42%	0.418	S	S	.	.	S	Bend	trans	-117.9	144.3	-179.6	74.3	0	0	0	0	113.2	K490 L491 E495 G496	K490-S493 WeakPolarHBondContact O-CB 3.37Å; K490-S493 PolarHBondContact O-N 2.87Å; K490-S493 PolarHBondContact O-OG 2.86Å; L491-S493 PolarHBondContact O-N 2.91Å; S493-E495 VanDerWaalsContact C-N 3.27Å; S493-E495 PolarHBondContact O-N 3.32Å; S493-E495 VanDerWaalsContact O-N 3.09Å; S493-G496 PolarHBondContact O-N 3.2Å
494	S	75.9	Confident	87.6	Confident	132 Å²	132	84.4 Å²	84.4	92%	0.923	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.2	-164.7	51.9	0	0	0	0	117
495	E	80.4	Confident	87.4	Confident	167 Å²	167	88.5 Å²	88.5	78%	0.78	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-2.1	171.3	-62	-166.8	135.9	0	0	112.6	S493 E497	S493-E495 VanDerWaalsContact C-N 3.27Å; S493-E495 PolarHBondContact O-N 3.32Å; S493-E495 VanDerWaalsContact O-N 3.09Å; E495-E497 VanDerWaalsContact C-N 3.3Å; E495-E497 PolarHBondContact O-N 3.37Å
496	G	85.4	Confident	87.3	Confident	0 Å²	0	90.1 Å²	90.1	0%	0	45%	0.452	C	S	.	.	H	α-helix	trans	-75.8	-6	-165.5	0	0	0	0	0	116	K490 S493 K498 E499 A500	K490-G496 WeakPolarHBondContact O-CA 3.5Å; S493-G496 PolarHBondContact O-N 3.2Å; G496-K498 VanDerWaalsContact C-N 3.28Å; G496-K498 PolarHBondContact O-N 2.9Å; G496-E499 PolarHBondContact O-N 2.79Å; G496-A500 VanDerWaalsContact O-CB 3.3Å; G496-A500 WeakPolarHBondContact O-CB 3.4Å; G496-A500 PolarHBondContact O-N 3.23Å
497	E	87.2	Confident	87.1	Confident	152 Å²	152	88 Å²	88	71%	0.71	44%	0.443	S	S	*	.	H	α-helix	trans	-56.9	-41.5	174.2	-67.9	-165.7	139.4	0	0	112	L491 E495 A500 E501	L491-E497 HydrophobicContact CD2-CB 4.48Å; L491-E497 HydrophobicContact CD2-CG 3.96Å; E495-E497 VanDerWaalsContact C-N 3.3Å; E495-E497 PolarHBondContact O-N 3.37Å; E497-A500 PolarHBondContact O-N 3Å; E497-E501 WeakPolarHBondContact O-CB 3.13Å; E497-E501 PolarHBondContact O-N 2.89Å
498	K	88.4	Confident	87.1	Confident	171 Å²	171	91.1 Å²	91.1	74%	0.743	46%	0.46	S	S	*	.	H	α-helix	trans	-68.8	-41.8	179.2	-71.1	-179.8	178.9	173.1	0	112.5	G496 A500 E501 E502	G496-K498 VanDerWaalsContact C-N 3.28Å; G496-K498 PolarHBondContact O-N 2.9Å; K498-A500 VanDerWaalsContact C-N 3.33Å; K498-E501 PolarHBondContact O-N 2.83Å; K498-E502 PolarHBondContact O-N 3.44Å
499	E	88.3	Confident	87.2	Confident	75 Å²	75	87.6 Å²	87.6	35%	0.35	45%	0.445	S	S	.	.	H	α-helix	trans	-63.5	-42.5	174.4	-68.7	-166.9	-119.2	0	0	110.9	K490 G496 E502 F503	K490-E499 HydrophobicContact CB-CB 4.42Å; K490-E499 HydrophobicContact CD-CB 4.24Å; K490-E499 WeakPolarHBondContact CD-OE2 3.33Å; K490-E499 WeakPolarHBondContact CE-OE2 3.27Å; K490-E499 HydrophobicContact CG-CB 4.23Å; K490-E499 IonicContact NZ-OE1 2.71Å; K490-E499 PolarHBondContact NZ-OE1 3.12Å; K490-E499 IonicContact NZ-OE2 2.7Å; K490-E499 PolarHBondContact NZ-OE2 3.19Å; G496-E499 PolarHBondContact O-N 2.79Å; E499-E502 PolarHBondContact O-N 3.37Å; E499-F503 HydrophobicContact CB-CE2 4.37Å; E499-F503 WeakPolarHBondContact O-CD2 3.11Å; E499-F503 PolarHBondContact O-N 3Å
500	A	89.9	Confident	87.4	Confident	2 Å²	2	80.9 Å²	80.9	2%	0.017	41%	0.414	C	S	.	.	H	α-helix	trans	-62.5	-42.6	176.5	0	0	0	0	0	112.1	A487 L491 G496 E497 K498 F503 L504	A487-A500 HydrophobicContact CB-CB 4Å; A487-A500 VanDerWaalsContact O-CB 3.31Å; A487-A500 WeakPolarHBondContact O-CB 3.46Å; L491-A500 HydrophobicContact CD1-CB 4.32Å; L491-A500 HydrophobicContact CD2-CB 4.05Å; L491-A500 HydrophobicContact CG-CB 3.81Å; G496-A500 VanDerWaalsContact O-CB 3.3Å; G496-A500 WeakPolarHBondContact O-CB 3.4Å; G496-A500 PolarHBondContact O-N 3.23Å; E497-A500 PolarHBondContact O-N 3Å; K498-A500 VanDerWaalsContact C-N 3.33Å; A500-F503 PolarHBondContact O-N 2.8Å; A500-L504 WeakPolarHBondContact O-CB 3.49Å; A500-L504 WeakPolarHBondContact O-CD1 3.24Å; A500-L504 WeakPolarHBondContact O-CG 3.38Å; A500-L504 PolarHBondContact O-N 3.5Å
501	E	89.2	Confident	87.6	Confident	140 Å²	140	79.8 Å²	79.8	65%	0.654	41%	0.409	S	S	*	.	H	α-helix	trans	-59.9	-44	172.4	-175.8	171.5	-149.2	0	0	111.6	E497 K498 F503 L504 S505	E497-E501 WeakPolarHBondContact O-CB 3.13Å; E497-E501 PolarHBondContact O-N 2.89Å; K498-E501 PolarHBondContact O-N 2.83Å; E501-F503 PolarHBondContact O-N 3.36Å; E501-L504 PolarHBondContact O-N 2.96Å; E501-S505 WeakPolarHBondContact O-CB 3.48Å; E501-S505 PolarHBondContact O-N 2.92Å; E501-S505 PolarHBondContact O-OG 2.83Å
502	E	89.8	Confident	87.8	Confident	107 Å²	107	81.6 Å²	81.6	50%	0.5	41%	0.411	S	S	.	.	H	α-helix	trans	-61.7	-46.3	177	-164.7	-175.2	162.4	0	0	111.7	K498 E499 L504 S505 K506	K498-E502 PolarHBondContact O-N 3.44Å; E499-E502 PolarHBondContact O-N 3.37Å; E502-L504 VanDerWaalsContact C-N 3.33Å; E502-L504 PolarHBondContact O-N 3.24Å; E502-S505 PolarHBondContact O-N 3.1Å; E502-S505 PolarHBondContact O-OG 2.85Å; E502-K506 WeakPolarHBondContact O-CG 3.5Å; E502-K506 PolarHBondContact O-N 3.26Å; E502-K506 WeakPolarHBondContact OE1-CE 3.18Å; E502-K506 IonicContact OE1-NZ 2.82Å; E502-K506 PolarHBondContact OE1-NZ 3.06Å
503	F	89.8	Confident	88.4	Confident	66 Å²	66	74.3 Å²	74.3	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-37.6	175	-74.6	-60.2	0	0	0	113	L486 A487 K490 E499 A500 E501	L486-F503 HydrophobicContact CB-CD1 4.37Å; L486-F503 HydrophobicContact CB-CD2 4.25Å; L486-F503 HydrophobicContact CB-CE1 4.4Å; L486-F503 HydrophobicContact CB-CE2 4.29Å; L486-F503 HydrophobicContact CB-CG 4.32Å; L486-F503 HydrophobicContact CB-CZ 4.37Å; L486-F503 HydrophobicContact CD1-CD1 4.32Å; L486-F503 HydrophobicContact CD1-CE1 3.96Å; L486-F503 HydrophobicContact CD1-CZ 4.37Å; A487-F503 HydrophobicContact CB-CB 3.99Å; K490-F503 HydrophobicContact CG-CE2 4.35Å; E499-F503 HydrophobicContact CB-CE2 4.37Å; E499-F503 WeakPolarHBondContact O-CD2 3.11Å; E499-F503 PolarHBondContact O-N 3Å; A500-F503 PolarHBondContact O-N 2.8Å; E501-F503 PolarHBondContact O-N 3.36Å
504	L	90.4	Very high	88.8	Confident	12 Å²	12	71.7 Å²	71.7	6%	0.063	35%	0.354	C	S	.	.	H	α-helix	trans	-76.6	-33.5	-179.5	-69.8	165.5	0	0	0	112.8	K460 L464 Y484 A487 A500 E501 E502 K506 S507	K460-L504 HydrophobicContact CB-CD1 4.42Å; K460-L504 HydrophobicContact CD-CB 4.16Å; K460-L504 HydrophobicContact CD-CD2 4.45Å; K460-L504 WeakPolarHBondContact CE-O 3.36Å; K460-L504 HydrophobicContact CG-CB 4.42Å; K460-L504 PolarHBondContact NZ-O 3.11Å; K460-L504 VanDerWaalsContact NZ-O 3.12Å; L464-L504 HydrophobicContact CD1-CD1 3.85Å; L464-L504 HydrophobicContact CD2-CD2 4.38Å; L464-L504 HydrophobicContact CG-CD1 4.33Å; Y484-L504 HydrophobicContact CD1-CD2 3.41Å; Y484-L504 VanDerWaalsContact CD1-CD2 3.41Å; Y484-L504 HydrophobicContact CE1-CD2 3.39Å; Y484-L504 HydrophobicContact CG-CD2 4.19Å; A487-L504 HydrophobicContact CB-CD1 4.06Å; A487-L504 HydrophobicContact CB-CD2 4.03Å; A487-L504 HydrophobicContact CB-CG 3.71Å; A500-L504 WeakPolarHBondContact O-CB 3.49Å; A500-L504 WeakPolarHBondContact O-CD1 3.24Å; A500-L504 WeakPolarHBondContact O-CG 3.38Å; A500-L504 PolarHBondContact O-N 3.5Å; E501-L504 PolarHBondContact O-N 2.96Å; E502-L504 VanDerWaalsContact C-N 3.33Å; E502-L504 PolarHBondContact O-N 3.24Å; L504-K506 VanDerWaalsContact C-N 3.27Å; L504-K506 PolarHBondContact O-N 3.41Å; L504-S507 PolarHBondContact O-N 2.93Å
505	S	87.4	Confident	89.8	Confident	88 Å²	88	65.4 Å²	65.4	62%	0.615	31%	0.31	S	S	*	.	H	α-helix	trans	-63.9	-33.1	176.1	72.1	0	0	0	0	112.4	E501 E502 S507	E501-S505 WeakPolarHBondContact O-CB 3.48Å; E501-S505 PolarHBondContact O-N 2.92Å; E501-S505 PolarHBondContact O-OG 2.83Å; E502-S505 PolarHBondContact O-N 3.1Å; E502-S505 PolarHBondContact O-OG 2.85Å; S505-S507 VanDerWaalsContact C-N 3.31Å; S505-S507 PolarHBondContact O-N 3.14Å
506	K	88	Confident	90.6	Very high	146 Å²	146	57.4 Å²	57.4	64%	0.635	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.3	179.9	-67.6	171.2	-175.5	172.6	0	114.3	E502 L504	E502-K506 WeakPolarHBondContact O-CG 3.5Å; E502-K506 PolarHBondContact O-N 3.26Å; E502-K506 WeakPolarHBondContact OE1-CE 3.18Å; E502-K506 IonicContact OE1-NZ 2.82Å; E502-K506 PolarHBondContact OE1-NZ 3.06Å; L504-K506 VanDerWaalsContact C-N 3.27Å; L504-K506 PolarHBondContact O-N 3.41Å
507	S	87.3	Confident	91.2	Very high	19 Å²	19	57.5 Å²	57.5	13%	0.133	27%	0.273	C	S	.	.			trans	-127	138.8	-178.4	-171.5	0	0	0	0	112.1	K460 Y484 L504 S505	K460-S507 PolarHBondContact NZ-O 3.45Å; Y484-S507 WeakPolarHBondContact CE2-OG 3.31Å; L504-S507 PolarHBondContact O-N 2.93Å; S505-S507 VanDerWaalsContact C-N 3.31Å; S505-S507 PolarHBondContact O-N 3.14Å
508	N	89.8	Confident	91.7	Very high	65 Å²	65	52 Å²	52	35%	0.348	25%	0.248	S	C	.	.			trans	-128.5	21.8	174.7	61.6	8.5	0	0	0	112.6	M236 L510 E511 R512	M236-N508 WeakPolarHBondContact CE-OD1 3.02Å; N508-L510 VanDerWaalsContact C-N 3.34Å; N508-L510 PolarHBondContact O-N 3.47Å; N508-E511 VanDerWaalsContact CA-OE2 3.26Å; N508-E511 WeakPolarHBondContact CA-OE2 3.41Å; N508-E511 PolarHBondContact O-N 2.96Å; N508-R512 PolarHBondContact ND2-NE 3.01Å; N508-R512 WeakPolarHBondContact O-CG 3.43Å; N508-R512 PolarHBondContact O-N 2.78Å; N508-R512 PolarHBondContact OD1-NE 3.39Å
509	V	91.4	Very high	92.1	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.048	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-38.6	-171.7	175.1	0	0	0	0	112	M236 D480 L481 Y484 N513	M236-V509 HydrophobicContact CG-CG2 4.27Å; D480-V509 HydrophobicContact CB-CG1 4.09Å; D480-V509 HydrophobicContact CB-CG2 4.25Å; L481-V509 HydrophobicContact CD2-CB 3.95Å; L481-V509 HydrophobicContact CD2-CG1 3.62Å; L481-V509 HydrophobicContact CG-CG1 4.22Å; Y484-V509 HydrophobicContact CE2-CB 4.46Å; V509-N513 WeakPolarHBondContact O-CB 3.27Å; V509-N513 PolarHBondContact O-N 2.7Å; V509-N513 VanDerWaalsContact O-N 3.15Å; V509-N513 PolarHBondContact O-ND2 3.02Å
510	L	92.7	Very high	92.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-78	-35.2	178.1	-68.5	-176.8	0	0	0	112.1	Q463 W466 L467 L481 Y484 N508 R512 N513 L514	Q463-L510 HydrophobicContact CB-CD1 3.8Å; Q463-L510 HydrophobicContact CG-CB 4.22Å; Q463-L510 HydrophobicContact CG-CD1 4.03Å; W466-L510 HydrophobicContact CE3-CD1 4.49Å; W466-L510 HydrophobicContact CZ3-CD1 4.47Å; W466-L510 HydrophobicContact CZ3-CD2 3.93Å; L467-L510 HydrophobicContact CD1-CD1 4.08Å; L467-L510 HydrophobicContact CD2-CD1 4.33Å; L467-L510 HydrophobicContact CG-CD1 4.19Å; L481-L510 HydrophobicContact CD1-CD2 4.21Å; L481-L510 HydrophobicContact CD2-CD1 4.46Å; L481-L510 HydrophobicContact CD2-CD2 3.82Å; L481-L510 HydrophobicContact CD2-CG 3.82Å; Y484-L510 HydrophobicContact CD1-CD1 3.98Å; Y484-L510 HydrophobicContact CE1-CD1 3.67Å; Y484-L510 HydrophobicContact CE1-CG 4.25Å; Y484-L510 HydrophobicContact CE2-CD1 4.33Å; Y484-L510 HydrophobicContact CE2-CG 4.1Å; Y484-L510 HydrophobicContact CG-CD1 4.43Å; N508-L510 VanDerWaalsContact C-N 3.34Å; N508-L510 PolarHBondContact O-N 3.47Å; L510-R512 VanDerWaalsContact C-N 3.29Å; L510-R512 PolarHBondContact O-N 2.85Å; L510-N513 PolarHBondContact O-N 2.82Å; L510-L514 HydrophobicContact CB-CD1 4.01Å; L510-L514 HydrophobicContact CD2-CD1 4.22Å; L510-L514 HydrophobicContact CD2-CG 4.46Å; L510-L514 WeakPolarHBondContact O-CB 3.38Å; L510-L514 WeakPolarHBondContact O-CG 3.4Å; L510-L514 PolarHBondContact O-N 2.98Å
511	E	93.1	Very high	92.9	Very high	47 Å²	47	41.5 Å²	41.5	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-34.3	171	-66.5	84.4	170	0	0	112.3	P278 G279 K460 Q463 Y484 N508	P278-E511 CarbonylContact C-O 3.5Å; P278-E511 WeakPolarHBondContact CB-O 3.02Å; G279-E511 WeakPolarHBondContact CA-O 3.43Å; G279-E511 PolarHBondContact N-O 3.17Å; K460-E511 WeakPolarHBondContact CD-OE1 2.99Å; K460-E511 WeakPolarHBondContact CE-OE1 3.48Å; K460-E511 VanDerWaalsContact NZ-CD 3.33Å; K460-E511 IonicContact NZ-OE1 2.59Å; K460-E511 PolarHBondContact NZ-OE1 2.93Å; K460-E511 IonicContact NZ-OE2 2.71Å; K460-E511 PolarHBondContact NZ-OE2 2.89Å; Q463-E511 PolarHBondContact NE2-OE1 3.07Å; Q463-E511 PolarHBondContact OE1-OE1 3.47Å; Y484-E511 PolarHBondContact OH-OE2 3.47Å; N508-E511 VanDerWaalsContact CA-OE2 3.26Å; N508-E511 WeakPolarHBondContact CA-OE2 3.41Å; N508-E511 PolarHBondContact O-N 2.96Å
512	R	91.9	Very high	93.1	Very high	108 Å²	108	38 Å²	38	41%	0.408	19%	0.192	S	C	.	.	H	α-helix	trans	-78.8	-23	176.4	-72.4	178.4	174.1	-135.2	-4.2	114.2	M236 P278 N508 L510	M236-R512 WeakPolarHBondContact SD-CD 3.33Å; M236-R512 PolarHBondContact SD-NH1 3.07Å; P278-R512 VanDerWaalsContact CB-O 3.25Å; P278-R512 WeakPolarHBondContact CB-O 3.43Å; N508-R512 PolarHBondContact ND2-NE 3.01Å; N508-R512 WeakPolarHBondContact O-CG 3.43Å; N508-R512 PolarHBondContact O-N 2.78Å; N508-R512 PolarHBondContact OD1-NE 3.39Å; L510-R512 VanDerWaalsContact C-N 3.29Å; L510-R512 PolarHBondContact O-N 2.85Å
513	N	93.6	Very high	93.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-104.6	-27.6	-176.5	-85.3	-86.6	0	0	0	114.9	Y231 L232 D233 E234 V509 L510	Y231-N513 CarbonylContact C-O 3.54Å; Y231-N513 VanDerWaalsContact CA-O 3.32Å; Y231-N513 WeakPolarHBondContact CA-O 3.43Å; Y231-N513 HydrophobicContact CD2-CB 3.86Å; Y231-N513 HydrophobicContact CE2-CB 3.47Å; Y231-N513 VanDerWaalsContact CE2-CB 3.47Å; L232-N513 PolarHBondContact N-O 3.18Å; D233-N513 WeakPolarHBondContact CA-OD1 3.24Å; D233-N513 PolarHBondContact N-OD1 3.41Å; E234-N513 PolarHBondContact N-OD1 3.37Å; E234-N513 PolarHBondContact O-ND2 3.45Å; E234-N513 VanDerWaalsContact O-ND2 3.15Å; V509-N513 WeakPolarHBondContact O-CB 3.27Å; V509-N513 PolarHBondContact O-N 2.7Å; V509-N513 VanDerWaalsContact O-N 3.15Å; V509-N513 PolarHBondContact O-ND2 3.02Å; L510-N513 PolarHBondContact O-N 2.82Å
514	L	95.3	Very high	93.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.5	-176.9	-66.4	174.2	0	0	0	111.8	I176 Y231 G279 W457 P458 W462 W466 L510	I176-L514 HydrophobicContact CD1-CD2 3.58Å; Y231-L514 HydrophobicContact CD2-CD2 3.94Å; G279-L514 PolarHBondContact N-O 2.79Å; W457-L514 HydrophobicContact CH2-CB 4.32Å; W457-L514 HydrophobicContact CZ3-CB 3.78Å; P458-L514 HydrophobicContact CG-CD1 3.84Å; W462-L514 HydrophobicContact CZ3-CD1 4.16Å; W466-L514 HydrophobicContact CE3-CD1 4.2Å; W466-L514 HydrophobicContact CH2-CD2 3.9Å; W466-L514 HydrophobicContact CZ2-CD2 4.11Å; W466-L514 HydrophobicContact CZ3-CD1 4.16Å; W466-L514 HydrophobicContact CZ3-CD2 4.31Å; L510-L514 HydrophobicContact CB-CD1 4.01Å; L510-L514 HydrophobicContact CD2-CD1 4.22Å; L510-L514 HydrophobicContact CD2-CG 4.46Å; L510-L514 WeakPolarHBondContact O-CB 3.38Å; L510-L514 WeakPolarHBondContact O-CG 3.4Å; L510-L514 PolarHBondContact O-N 2.98Å
515	L	95.8	Very high	93.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.9	174.7	168.3	66.7	0	0	0	109.6	F229 V230 A256 I276 Q277 W457 I517	F229-L515 WeakPolarHBondContact CA-O 3.34Å; V230-L515 HydrophobicContact CB-CB 4.23Å; V230-L515 HydrophobicContact CB-CD2 4.46Å; V230-L515 PolarHBondContact N-O 3.06Å; V230-L515 PolarHBondContact O-N 3.29Å; A256-L515 HydrophobicContact CB-CD2 3.57Å; I276-L515 HydrophobicContact CB-CD1 4.12Å; I276-L515 HydrophobicContact CB-CD2 4.18Å; I276-L515 HydrophobicContact CG2-CD1 3.44Å; I276-L515 VanDerWaalsContact CG2-CD1 3.44Å; I276-L515 HydrophobicContact CG2-CD2 4.39Å; Q277-L515 WeakPolarHBondContact O-CD1 3.34Å; W457-L515 VanDerWaalsContact CZ3-C 3.47Å; L515-I517 HydrophobicContact CD1-CG1 4.41Å; L515-I517 HydrophobicContact CD2-CD1 3.83Å; L515-I517 HydrophobicContact CD2-CG1 3.97Å; L515-I517 HydrophobicContact CG-CD1 4.28Å; L515-I517 HydrophobicContact CG-CG1 3.88Å
516	A	96.9	Very high	93.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.7	171.7	0	0	0	0	0	110.7	L228 F229 S280 L281 T282 W457	L228-A516 WeakPolarHBondContact O-CA 3.28Å; F229-A516 HydrophobicContact CD1-CB 3.72Å; F229-A516 HydrophobicContact CE1-CB 4.01Å; S280-A516 PolarHBondContact O-N 3.07Å; L281-A516 WeakPolarHBondContact CA-O 3.49Å; L281-A516 HydrophobicContact CB-CB 3.96Å; L281-A516 HydrophobicContact CD1-CB 4.18Å; L281-A516 HydrophobicContact CG-CB 3.9Å; T282-A516 PolarHBondContact N-O 2.87Å; W457-A516 HydrophobicContact CD2-CB 3.85Å; W457-A516 HydrophobicContact CE3-CB 3.62Å; W457-A516 HydrophobicContact CH2-CB 3.92Å; W457-A516 HydrophobicContact CZ2-CB 4.1Å; W457-A516 HydrophobicContact CZ3-CB 3.67Å
517	I	98.1	Very high	94.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.1	-177.5	-42.4	174.4	0	0	0	108.3	L97 L228 V230 V258 I276 T282 I284 L515	L97-I517 HydrophobicContact CD1-CD1 4.01Å; L228-I517 HydrophobicContact CB-CB 4.25Å; L228-I517 PolarHBondContact N-O 3.06Å; L228-I517 PolarHBondContact O-N 3.13Å; V230-I517 HydrophobicContact CG2-CD1 3.92Å; V258-I517 HydrophobicContact CG1-CD1 3.89Å; I276-I517 HydrophobicContact CD1-CD1 3.89Å; I276-I517 HydrophobicContact CD1-CG1 3.93Å; I276-I517 HydrophobicContact CD1-CG2 3.94Å; T282-I517 WeakPolarHBondContact O-CA 3.44Å; I284-I517 HydrophobicContact CD1-CG2 4.27Å; L515-I517 HydrophobicContact CD1-CG1 4.41Å; L515-I517 HydrophobicContact CD2-CD1 3.83Å; L515-I517 HydrophobicContact CD2-CG1 3.97Å; L515-I517 HydrophobicContact CG-CD1 4.28Å; L515-I517 HydrophobicContact CG-CG1 3.88Å
518	M	97.9	Very high	94.6	Very high	36 Å²	36	29.8 Å²	29.8	18%	0.177	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.6	178.7	-60.5	-175.9	78.9	0	0	110	T225 I226 L281 T282 E283 I284 I520	T225-M518 HydrophobicContact CG2-CE 4.28Å; I226-M518 CarbonylContact O-C 3.48Å; I226-M518 WeakPolarHBondContact O-CA 3.35Å; L281-M518 HydrophobicContact CD1-SD 4.17Å; L281-M518 HydrophobicContact CD2-SD 4.1Å; L281-M518 HydrophobicContact CG-SD 4.43Å; T282-M518 PolarHBondContact O-N 2.03Å; E283-M518 CarbonylContact C-O 3.55Å; E283-M518 WeakPolarHBondContact CA-O 3.42Å; E283-M518 HydrophobicContact CG-CB 4.48Å; I284-M518 PolarHBondContact N-O 3.23Å; M518-I520 HydrophobicContact CB-CD1 4.03Å; M518-I520 HydrophobicContact CB-CG1 4.09Å
519	L	98.1	Very high	94.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.6	174.7	-171.2	64.1	0	0	0	108.9	F92 P93 L95 T225 I226 V260 I284 V286	F92-L519 HydrophobicContact CE1-CD2 3.84Å; F92-L519 HydrophobicContact CE1-CG 4.12Å; F92-L519 HydrophobicContact CZ-CD2 4.35Å; F92-L519 HydrophobicContact CZ-CG 4.13Å; P93-L519 HydrophobicContact CG-CD2 4.23Å; L95-L519 HydrophobicContact CB-CD2 3.92Å; L95-L519 HydrophobicContact CD1-CD2 4.26Å; L95-L519 HydrophobicContact CD2-CB 4.29Å; L95-L519 HydrophobicContact CD2-CD2 4.11Å; L95-L519 HydrophobicContact CG-CD2 4.32Å; T225-L519 CarbonylContact C-O 3.5Å; T225-L519 VanDerWaalsContact CA-O 3.27Å; T225-L519 WeakPolarHBondContact CA-O 3.25Å; I226-L519 HydrophobicContact CB-CB 4.31Å; I226-L519 HydrophobicContact CD1-CD2 4.24Å; I226-L519 PolarHBondContact N-O 3.44Å; I226-L519 PolarHBondContact O-N 3.12Å; V260-L519 HydrophobicContact CG1-CD1 4.21Å; V260-L519 HydrophobicContact CG1-CD2 4.39Å; V260-L519 HydrophobicContact CG2-CD1 3.55Å; V260-L519 HydrophobicContact CG2-CD2 4.34Å; I284-L519 HydrophobicContact CB-CD1 3.82Å; I284-L519 HydrophobicContact CG2-CD1 3.71Å; I284-L519 WeakPolarHBondContact O-CA 3.32Å; V286-L519 HydrophobicContact CG2-CD1 3.32Å; V286-L519 HydrophobicContact CG2-CG 3.92Å
520	I	97.5	Very high	95	Very high	24 Å²	24	29.3 Å²	29.3	12%	0.123	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.8	-165.2	-57.7	170.9	0	0	0	110.7	T225 E283 I284 K285 V286 M518 P522	T225-I520 HydrophobicContact CG2-CG1 4.02Å; E283-I520 HydrophobicContact CB-CD1 4.09Å; E283-I520 HydrophobicContact CG-CD1 3.95Å; E283-I520 WeakPolarHBondContact OE1-CD1 3.5Å; I284-I520 PolarHBondContact O-N 3.37Å; K285-I520 CarbonylContact C-O 3.5Å; K285-I520 WeakPolarHBondContact CA-O 3.24Å; K285-I520 HydrophobicContact CG-CB 4.35Å; V286-I520 PolarHBondContact N-O 2.85Å; M518-I520 HydrophobicContact CB-CD1 4.03Å; M518-I520 HydrophobicContact CB-CG1 4.09Å; I520-P522 WeakPolarHBondContact O-CD 3.47Å
521	R	96	Very high	95.1	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.011	15%	0.151	C	C	.	.			trans	-91.9	105.8	163.3	175.6	161.6	63.1	165	-1.4	108.9	S90 F92 N221 V223 R224 N523	S90-R521 PolarHBondContact O-NH1 3.06Å; S90-R521 PolarHBondContact OG-NH1 3.49Å; F92-R521 HydrophobicContact CD2-CB 4.13Å; F92-R521 HydrophobicContact CE2-CB 3.65Å; N221-R521 PolarHBondContact O-NH2 2.81Å; V223-R521 PolarHBondContact O-NE 2.96Å; V223-R521 VanDerWaalsContact O-NE 3.07Å; V223-R521 PolarHBondContact O-NH2 2.92Å; R224-R521 PolarHBondContact O-N 3.1Å; R521-N523 WeakPolarHBondContact CG-O 3.45Å; R521-N523 PolarHBondContact O-N 3.06Å
522	P	93.3	Very high	95	Very high	68 Å²	68	33.2 Å²	33.2	44%	0.442	16%	0.161	S	C	.	.			trans	-69.2	-34.4	-171.1	26.9	-33.9	0	0	0	112.8	V286 I520	V286-P522 WeakPolarHBondContact O-CD 3.39Å; I520-P522 WeakPolarHBondContact O-CD 3.47Å
523	N	92.7	Very high	95	Very high	69 Å²	69	31.1 Å²	31.1	37%	0.369	16%	0.156	S	C	.	.			trans	-149.2	170.9	178.9	58.8	62.2	0	0	0	110.2	R521 N525	R521-N523 WeakPolarHBondContact CG-O 3.45Å; R521-N523 PolarHBondContact O-N 3.06Å; N523-N525 VanDerWaalsContact C-N 3.3Å; N523-N525 WeakPolarHBondContact OD1-CB 3.39Å; N523-N525 VanDerWaalsContact OD1-CG 3.27Å; N523-N525 PolarHBondContact OD1-N 2.85Å; N523-N525 VanDerWaalsContact OD1-N 3.07Å; N523-N525 PolarHBondContact OD1-ND2 2.93Å
524	F	92.7	Very high	94.9	Very high	24 Å²	24	34 Å²	34	11%	0.105	17%	0.173	C	C	.	.			trans	-96.6	25.5	-179.1	-74.1	-113.1	0	0	0	111.5	D87 T88 N221 R224	D87-F524 CarbonylContact C-O 3.6Å; D87-F524 WeakPolarHBondContact CA-O 3.42Å; D87-F524 PolarHBondContact N-O 3.22Å; T88-F524 PolarHBondContact N-O 3.21Å; N221-F524 WeakPolarHBondContact O-CE1 3.37Å; R224-F524 HydrophobicContact CG-CE2 3.9Å; R224-F524 HydrophobicContact CG-CZ 4.36Å
525	N	94.1	Very high	94.7	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.193	18%	0.175	C	C	.	.			trans	-79.6	136.3	176.9	-57	-29.5	0	0	0	110	V84 L85 R86 N523	V84-N525 HydrophobicContact CG1-CB 3.94Å; L85-N525 CarbonylContact O-C 3.48Å; L85-N525 WeakPolarHBondContact O-CA 3.31Å; R86-N525 WeakPolarHBondContact CA-OD1 3.49Å; N523-N525 VanDerWaalsContact C-N 3.3Å; N523-N525 WeakPolarHBondContact OD1-CB 3.39Å; N523-N525 VanDerWaalsContact OD1-CG 3.27Å; N523-N525 PolarHBondContact OD1-N 2.85Å; N523-N525 VanDerWaalsContact OD1-N 3.07Å; N523-N525 PolarHBondContact OD1-ND2 2.93Å
526	V	95.8	Very high	94.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.4	176.5	179.2	0	0	0	0	108.7	L85 T88 T288 K290 F446 K528	L85-V526 HydrophobicContact CB-CB 4.39Å; L85-V526 PolarHBondContact N-O 3.38Å; L85-V526 PolarHBondContact O-N 2.85Å; T88-V526 HydrophobicContact CG2-CG2 4.05Å; T288-V526 HydrophobicContact CG2-CG2 4.49Å; T288-V526 WeakPolarHBondContact O-CA 3.45Å; K290-V526 HydrophobicContact CB-CG1 3.64Å; F446-V526 HydrophobicContact CE1-CG1 4.42Å; V526-K528 PolarHBondContact O-N 3.07Å
527	H	95.7	Very high	94.3	Very high	81 Å²	81	40.1 Å²	40.1	38%	0.375	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	108.8	173.5	-72	-112.6	0	0	0	108.3	T288 I289 K290	T288-H527 PolarHBondContact O-N 3.12Å; I289-H527 CarbonylContact C-O 3.54Å; I289-H527 VanDerWaalsContact CA-O 3.27Å; I289-H527 WeakPolarHBondContact CA-O 3.37Å; I289-H527 HydrophobicContact CG1-CB 4.25Å; I289-H527 WeakPolarHBondContact CG2-O 3.38Å; K290-H527 PolarHBondContact N-O 2.73Å
528	K	95.1	Very high	94.1	Very high	52 Å²	52	45.2 Å²	45.2	23%	0.226	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.6	-177	-155.8	-160.4	-168	-152.5	0	110.2	Q83 L85 K290 V526 D530	Q83-K528 HydrophobicContact CB-CB 4.22Å; Q83-K528 PolarHBondContact N-O 3.35Å; Q83-K528 PolarHBondContact O-N 3.04Å; L85-K528 HydrophobicContact CD1-CB 4.17Å; L85-K528 HydrophobicContact CD1-CD 4.16Å; L85-K528 HydrophobicContact CD1-CG 4.29Å; L85-K528 HydrophobicContact CG-CB 4.42Å; K290-K528 WeakPolarHBondContact O-CA 3.29Å; V526-K528 PolarHBondContact O-N 3.07Å; K528-D530 WeakPolarHBondContact CD-OD1 3.27Å; K528-D530 WeakPolarHBondContact CE-OD1 3.22Å; K528-D530 WeakPolarHBondContact CE-OD2 3.34Å; K528-D530 VanDerWaalsContact NZ-CG 3.26Å; K528-D530 IonicContact NZ-OD1 3.79Å; K528-D530 PolarHBondContact NZ-OD1 3.16Å; K528-D530 IonicContact NZ-OD2 3.95Å; K528-D530 PolarHBondContact NZ-OD2 2.75Å
529	V	94.9	Very high	93.8	Very high	40 Å²	40	45.3 Å²	45.3	24%	0.242	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	84.3	-178.9	-176.7	0	0	0	0	107.6	H80 I289 K290 H291 T292	H80-V529 HydrophobicContact CB-CG1 4.05Å; I289-V529 HydrophobicContact CG2-CG2 3.73Å; K290-V529 PolarHBondContact O-N 3.06Å; H291-V529 WeakPolarHBondContact CA-O 3.41Å; T292-V529 PolarHBondContact N-O 2.68Å
530	D	93.7	Very high	93.6	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.6	176.9	-71.5	-17.3	0	0	0	111	P81 T292 K528	P81-D530 WeakPolarHBondContact CD-O 3.4Å; T292-D530 VanDerWaalsContact CB-OD1 3.24Å; T292-D530 WeakPolarHBondContact CB-OD1 3.42Å; T292-D530 PolarHBondContact OG1-OD1 2.87Å; K528-D530 WeakPolarHBondContact CD-OD1 3.27Å; K528-D530 WeakPolarHBondContact CE-OD1 3.22Å; K528-D530 WeakPolarHBondContact CE-OD2 3.34Å; K528-D530 VanDerWaalsContact NZ-CG 3.26Å; K528-D530 IonicContact NZ-OD1 3.79Å; K528-D530 PolarHBondContact NZ-OD1 3.16Å; K528-D530 IonicContact NZ-OD2 3.95Å; K528-D530 PolarHBondContact NZ-OD2 2.75Å
531	E	93.9	Very high	93.4	Very high	28 Å²	28	50.7 Å²	50.7	13%	0.131	27%	0.271	C	S	.	.			trans	-76.7	120.4	165.6	-79.5	172.2	-167.3	0	0	111.6	V78 H80 T292 Q293 K294	V78-E531 HydrophobicContact CB-CB 4.45Å; V78-E531 HydrophobicContact CB-CG 4.48Å; V78-E531 HydrophobicContact CG2-CG 4.19Å; H80-E531 WeakPolarHBondContact CE1-CG 3.4Å; H80-E531 IonicContact CE1-OE1 3.81Å; H80-E531 WeakPolarHBondContact ND1-CG 3.26Å; T292-E531 PolarHBondContact O-N 2.85Å; Q293-E531 WeakPolarHBondContact CA-OE2 3.39Å; Q293-E531 WeakPolarHBondContact CB-OE2 3.47Å; Q293-E531 WeakPolarHBondContact CG-OE1 3.3Å; K294-E531 HydrophobicContact CB-CB 4.41Å; K294-E531 WeakPolarHBondContact CE-O 3.34Å; K294-E531 HydrophobicContact CG-CB 3.73Å; K294-E531 PolarHBondContact N-OE2 2.87Å
532	K	92	Very high	93.3	Very high	102 Å²	102	54.8 Å²	54.8	44%	0.443	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.3	172.2	-56.9	-172	-169.1	173.8	0	109.6	V78 I79 P81	V78-K532 CarbonylContact C-O 3.44Å; V78-K532 VanDerWaalsContact CA-O 3.25Å; V78-K532 WeakPolarHBondContact CA-O 3.49Å; I79-K532 HydrophobicContact CG1-CB 4.36Å; I79-K532 WeakPolarHBondContact CG1-O 3.16Å; I79-K532 PolarHBondContact N-O 2.72Å; I79-K532 PolarHBondContact O-N 2.68Å; P81-K532 HydrophobicContact CG-CD 3.85Å; P81-K532 HydrophobicContact CG-CG 4.33Å
533	E	91.6	Very high	93.4	Very high	63 Å²	63	55.7 Å²	55.7	29%	0.294	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	135.7	174	59.9	-132.8	-125.9	0	0	111.6	K294 Y298 L535 S536	K294-E533 IonicContact NZ-OE2 3.47Å; K294-E533 PolarHBondContact NZ-OE2 3.47Å; Y298-E533 HydrophobicContact CD1-CB 3.98Å; Y298-E533 HydrophobicContact CE1-CB 3.53Å; E533-L535 VanDerWaalsContact C-N 3.3Å; E533-S536 WeakPolarHBondContact OE1-CA 3.34Å; E533-S536 VanDerWaalsContact OE1-CB 3.24Å; E533-S536 WeakPolarHBondContact OE1-CB 3.37Å
534	V	91.4	Very high	93.5	Very high	60 Å²	60	53 Å²	53	36%	0.364	29%	0.286	S	S	.	.	S	Bend	trans	-66.5	-35.7	174.5	170.4	0	0	0	0	111.2	N77 I79	N77-V534 HydrophobicContact CB-CB 4.33Å; N77-V534 HydrophobicContact CB-CG2 4.02Å; N77-V534 WeakPolarHBondContact O-CB 3.3Å; N77-V534 WeakPolarHBondContact O-CG2 3.46Å; N77-V534 PolarHBondContact O-N 2.82Å; I79-V534 HydrophobicContact CB-CG2 4.4Å; I79-V534 HydrophobicContact CG1-CG2 4.19Å; I79-V534 HydrophobicContact CG2-CG2 3.66Å
535	L	91.4	Very high	93.4	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.042	30%	0.301	C	S	.	.	S	Bend	trans	-136.5	100.6	-178.3	-171.4	69.2	0	0	0	110.1	L69 Y73 E533 L540	L69-L535 HydrophobicContact CD1-CD1 4.32Å; L69-L535 HydrophobicContact CD1-CD2 3.7Å; L69-L535 HydrophobicContact CG-CD2 4.47Å; Y73-L535 HydrophobicContact CD2-CD2 4.17Å; Y73-L535 HydrophobicContact CD2-CG 4.28Å; E533-L535 VanDerWaalsContact C-N 3.3Å; L535-L540 HydrophobicContact CD2-CB 4.48Å; L535-L540 HydrophobicContact CD2-CD1 4.42Å; L535-L540 HydrophobicContact CG-CB 4.42Å
536	S	92.2	Very high	93.4	Very high	25 Å²	25	53.5 Å²	53.5	18%	0.175	31%	0.306	C	S	.	.			trans	-70.9	160.2	172.2	67.6	0	0	0	0	111.3	E533 T538 S539 L540	E533-S536 WeakPolarHBondContact OE1-CA 3.34Å; E533-S536 VanDerWaalsContact OE1-CB 3.24Å; E533-S536 WeakPolarHBondContact OE1-CB 3.37Å; S536-T538 PolarHBondContact O-N 2.81Å; S536-T538 PolarHBondContact OG-OG1 3.36Å; S536-S539 PolarHBondContact O-N 2.83Å; S536-S539 VanDerWaalsContact O-N 3.08Å; S536-S539 WeakPolarHBondContact OG-CB 3.45Å; S536-S539 PolarHBondContact OG-N 3.04Å; S536-S539 VanDerWaalsContact OG-N 3.08Å; S536-L540 PolarHBondContact O-N 2.8Å
537	L	92	Very high	93.3	Very high	97 Å²	97	55 Å²	55	51%	0.508	31%	0.314	S	S	.	.	H	α-helix	trans	-57	-36	172.7	179.7	60.5	0	0	0	112.4	L540 L541	L537-L540 HydrophobicContact CD1-CD2 4.28Å; L537-L540 PolarHBondContact O-N 2.87Å; L537-L541 HydrophobicContact CD1-CD1 4.39Å; L537-L541 HydrophobicContact CD1-CG 4.4Å; L537-L541 HydrophobicContact CG-CD1 4.25Å; L537-L541 VanDerWaalsContact O-CG 3.3Å; L537-L541 WeakPolarHBondContact O-CG 3.45Å; L537-L541 PolarHBondContact O-N 2.89Å
538	T	93.8	Very high	93.2	Very high	107 Å²	107	54.7 Å²	54.7	66%	0.656	31%	0.312	S	S	*	.	H	α-helix	trans	-66.9	-38.4	175.9	49.7	0	0	0	0	112.3	S536 S542	S536-T538 PolarHBondContact O-N 2.81Å; S536-T538 PolarHBondContact OG-OG1 3.36Å; T538-S542 WeakPolarHBondContact O-CB 3.13Å; T538-S542 PolarHBondContact O-N 2.9Å
539	S	92.8	Very high	93.1	Very high	38 Å²	38	55 Å²	55	27%	0.266	32%	0.32	S	S	.	.	H	α-helix	trans	-70.7	-41.6	175.6	-168.6	0	0	0	0	111.6	S536 L541 S542 Q543	S536-S539 PolarHBondContact O-N 2.83Å; S536-S539 VanDerWaalsContact O-N 3.08Å; S536-S539 WeakPolarHBondContact OG-CB 3.45Å; S536-S539 PolarHBondContact OG-N 3.04Å; S536-S539 VanDerWaalsContact OG-N 3.08Å; S539-L541 PolarHBondContact O-N 2.83Å; S539-S542 PolarHBondContact O-N 3.03Å; S539-Q543 WeakPolarHBondContact O-CB 3.49Å; S539-Q543 WeakPolarHBondContact O-CG 3.36Å; S539-Q543 PolarHBondContact O-N 2.88Å; S539-Q543 PolarHBondContact OG-NE2 2.87Å
540	L	94	Very high	92.9	Very high	24 Å²	24	59.2 Å²	59.2	13%	0.126	34%	0.34	C	S	.	.	H	α-helix	trans	-55.2	-49.9	172.3	173.7	64.9	0	0	0	111.6	L69 Y73 L535 S536 L537 S544	L69-L540 HydrophobicContact CD1-CD1 4.48Å; L69-L540 HydrophobicContact CD2-CD1 3.93Å; L69-L540 HydrophobicContact CG-CD1 3.74Å; Y73-L540 HydrophobicContact CD1-CD2 3.88Å; Y73-L540 HydrophobicContact CD2-CB 4.21Å; Y73-L540 HydrophobicContact CD2-CD2 3.8Å; Y73-L540 HydrophobicContact CD2-CG 4.47Å; Y73-L540 HydrophobicContact CE1-CD2 4.08Å; Y73-L540 HydrophobicContact CE2-CB 4.48Å; Y73-L540 HydrophobicContact CE2-CD2 3.99Å; Y73-L540 HydrophobicContact CG-CD2 3.73Å; L535-L540 HydrophobicContact CD2-CB 4.48Å; L535-L540 HydrophobicContact CD2-CD1 4.42Å; L535-L540 HydrophobicContact CG-CB 4.42Å; S536-L540 PolarHBondContact O-N 2.8Å; L537-L540 HydrophobicContact CD1-CD2 4.28Å; L537-L540 PolarHBondContact O-N 2.87Å; L540-S544 VanDerWaalsContact O-CB 3.26Å; L540-S544 WeakPolarHBondContact O-CB 3.37Å; L540-S544 PolarHBondContact O-N 2.88Å; L540-S544 PolarHBondContact O-OG 2.96Å
541	L	92.4	Very high	92.8	Very high	114 Å²	114	61.7 Å²	61.7	60%	0.597	35%	0.348	S	S	*	.	H	α-helix	trans	-63.7	-43.1	179.4	-71.8	169.6	0	0	0	112.1	L537 S539 S544 G545	L537-L541 HydrophobicContact CD1-CD1 4.39Å; L537-L541 HydrophobicContact CD1-CG 4.4Å; L537-L541 HydrophobicContact CG-CD1 4.25Å; L537-L541 VanDerWaalsContact O-CG 3.3Å; L537-L541 WeakPolarHBondContact O-CG 3.45Å; L537-L541 PolarHBondContact O-N 2.89Å; S539-L541 PolarHBondContact O-N 2.83Å; L541-S544 PolarHBondContact O-N 2.63Å; L541-G545 PolarHBondContact O-N 2.86Å
542	S	94.1	Very high	92.6	Very high	90 Å²	90	60.7 Å²	60.7	63%	0.629	34%	0.343	S	S	*	.	H	α-helix	trans	-61.8	-50.3	177.3	-174.7	0	0	0	0	112.1	T538 S539 S544 G545 G546	T538-S542 WeakPolarHBondContact O-CB 3.13Å; T538-S542 PolarHBondContact O-N 2.9Å; S539-S542 PolarHBondContact O-N 3.03Å; S542-S544 PolarHBondContact O-N 2.54Å; S542-G545 PolarHBondContact O-N 3.37Å; S542-G546 PolarHBondContact O-N 2.8Å
543	Q	95.4	Very high	92.4	Very high	86 Å²	86	56.1 Å²	56.1	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-38.7	178.8	-69.6	-178.2	51.3	0	0	112.1	L69 S539 G546 L547	L69-Q543 HydrophobicContact CD1-CB 4.38Å; L69-Q543 HydrophobicContact CD2-CB 3.76Å; S539-Q543 WeakPolarHBondContact O-CB 3.49Å; S539-Q543 WeakPolarHBondContact O-CG 3.36Å; S539-Q543 PolarHBondContact O-N 2.88Å; S539-Q543 PolarHBondContact OG-NE2 2.87Å; Q543-G546 PolarHBondContact O-N 2.96Å; Q543-L547 WeakPolarHBondContact O-CG 3.34Å; Q543-L547 PolarHBondContact O-N 2.82Å
544	S	93.8	Very high	92.2	Very high	14 Å²	14	55.5 Å²	55.5	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-46.8	173.2	-58.5	0	0	0	0	111.3	L540 L541 S542 G546 L547 F548	L540-S544 VanDerWaalsContact O-CB 3.26Å; L540-S544 WeakPolarHBondContact O-CB 3.37Å; L540-S544 PolarHBondContact O-N 2.88Å; L540-S544 PolarHBondContact O-OG 2.96Å; L541-S544 PolarHBondContact O-N 2.63Å; S542-S544 PolarHBondContact O-N 2.54Å; S544-G546 VanDerWaalsContact C-N 3.33Å; S544-G546 PolarHBondContact O-N 3.15Å; S544-L547 PolarHBondContact O-N 3.32Å; S544-F548 WeakPolarHBondContact O-CD2 3.25Å; S544-F548 PolarHBondContact O-N 2.96Å
545	G	91.8	Very high	91.9	Very high	40 Å²	40	56 Å²	56	41%	0.412	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-40.7	175.1	0	0	0	0	0	113	L541 S542 F548 S549	L541-G545 PolarHBondContact O-N 2.86Å; S542-G545 PolarHBondContact O-N 3.37Å; G545-F548 PolarHBondContact O-N 2.89Å; G545-S549 WeakPolarHBondContact O-CB 3.22Å; G545-S549 PolarHBondContact O-N 3.05Å
546	G	93.6	Very high	91.6	Very high	30 Å²	30	62.7 Å²	62.7	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-58.1	-47.7	171.7	0	0	0	0	0	112.6	S542 Q543 S544 S549 I550	S542-G546 PolarHBondContact O-N 2.8Å; Q543-G546 PolarHBondContact O-N 2.96Å; S544-G546 VanDerWaalsContact C-N 3.33Å; S544-G546 PolarHBondContact O-N 3.15Å; G546-S549 PolarHBondContact O-N 3.45Å; G546-I550 WeakPolarHBondContact O-CB 3.32Å; G546-I550 VanDerWaalsContact O-CG1 3.28Å; G546-I550 WeakPolarHBondContact O-CG1 3.42Å; G546-I550 PolarHBondContact O-N 3.04Å
547	L	94.7	Very high	91.3	Very high	33 Å²	33	67.3 Å²	67.3	17%	0.173	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-47.2	177.6	-71.7	171.8	0	0	0	112.3	L62 C65 M66 L69 Q543 S544 S549 I550 W551	L62-L547 HydrophobicContact CD1-CB 3.67Å; C65-L547 HydrophobicContact CB-CD1 3.97Å; C65-L547 HydrophobicContact CB-CD2 3.74Å; C65-L547 HydrophobicContact CB-CG 4.5Å; M66-L547 HydrophobicContact CG-CD1 4.38Å; M66-L547 HydrophobicContact SD-CB 4.27Å; M66-L547 HydrophobicContact SD-CD1 3.74Å; L69-L547 HydrophobicContact CD2-CD1 3.98Å; Q543-L547 WeakPolarHBondContact O-CG 3.34Å; Q543-L547 PolarHBondContact O-N 2.82Å; S544-L547 PolarHBondContact O-N 3.32Å; L547-S549 VanDerWaalsContact C-N 3.3Å; L547-S549 PolarHBondContact O-N 2.83Å; L547-I550 PolarHBondContact O-N 3.15Å; L547-W551 WeakPolarHBondContact O-CB 3.48Å; L547-W551 VanDerWaalsContact O-CD1 3.3Å; L547-W551 PolarHBondContact O-N 2.95Å
548	F	92.8	Very high	91.1	Very high	75 Å²	75	62.8 Å²	62.8	33%	0.329	35%	0.353	S	S	.	.	H	α-helix	trans	-58.3	-41	176.2	-76.7	-63.4	0	0	0	112.6	L62 M66 S544 G545 I552 G553 L554	L62-F548 HydrophobicContact CD1-CD1 4.48Å; L62-F548 HydrophobicContact CD2-CD1 3.68Å; L62-F548 HydrophobicContact CD2-CE1 3.85Å; M66-F548 HydrophobicContact CE-CE2 4.42Å; M66-F548 HydrophobicContact SD-CE2 4.41Å; S544-F548 WeakPolarHBondContact O-CD2 3.25Å; S544-F548 PolarHBondContact O-N 2.96Å; G545-F548 PolarHBondContact O-N 2.89Å; F548-I552 PolarHBondContact O-N 2.88Å; F548-G553 PolarHBondContact O-N 3.46Å; F548-L554 HydrophobicContact CB-CB 4.33Å; F548-L554 HydrophobicContact CD1-CD1 4.38Å; F548-L554 PolarHBondContact O-N 3.2Å; F548-L554 VanDerWaalsContact O-N 3.16Å
549	S	92.1	Very high	90.7	Very high	57 Å²	57	61 Å²	61	40%	0.399	34%	0.342	S	S	.	.	H	α-helix	trans	-69	-44.3	178.1	-175.4	0	0	0	0	112.7	G545 G546 L547 G553	G545-S549 WeakPolarHBondContact O-CB 3.22Å; G545-S549 PolarHBondContact O-N 3.05Å; G546-S549 PolarHBondContact O-N 3.45Å; L547-S549 VanDerWaalsContact C-N 3.3Å; L547-S549 PolarHBondContact O-N 2.83Å; S549-G553 WeakPolarHBondContact O-CA 3.18Å; S549-G553 PolarHBondContact O-N 3.37Å
550	I	91.1	Very high	90.6	Very high	129 Å²	129	63.9 Å²	63.9	66%	0.662	35%	0.353	S	S	*	.	H	α-helix	trans	-69.9	-53.2	-177.9	-69.7	166.2	0	0	0	111.2	G546 L547	G546-I550 WeakPolarHBondContact O-CB 3.32Å; G546-I550 VanDerWaalsContact O-CG1 3.28Å; G546-I550 WeakPolarHBondContact O-CG1 3.42Å; G546-I550 PolarHBondContact O-N 3.04Å; L547-I550 PolarHBondContact O-N 3.15Å
551	W	91.9	Very high	90.5	Very high	76 Å²	76	64.3 Å²	64.3	29%	0.288	36%	0.355	S	S	.	.	H	α-helix	trans	-74	-37.4	-172.1	-74.3	97.6	0	0	0	113.5	F58 L62 L547	F58-W551 HydrophobicContact CB-CE3 4.15Å; F58-W551 AromaticContact CD1-CE3 3.74Å; F58-W551 HydrophobicContact CD1-CE3 3.74Å; F58-W551 AromaticContact CD1-CZ3 3.85Å; F58-W551 HydrophobicContact CD1-CZ3 3.85Å; F58-W551 HydrophobicContact CG-CE3 4.44Å; F58-W551 VanDerWaalsContact O-CE3 3.25Å; L62-W551 HydrophobicContact CB-CB 3.8Å; L62-W551 HydrophobicContact CB-CD2 4.35Å; L62-W551 HydrophobicContact CB-CG 3.84Å; L62-W551 HydrophobicContact CD1-CB 4.22Å; L62-W551 HydrophobicContact CD1-CG 4.2Å; L62-W551 HydrophobicContact CG-CB 4.43Å; L547-W551 WeakPolarHBondContact O-CB 3.48Å; L547-W551 VanDerWaalsContact O-CD1 3.3Å; L547-W551 PolarHBondContact O-N 2.95Å
552	I	89.8	Confident	90.3	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.036	34%	0.342	C	S	.	.	H	α-helix	trans	-123.6	-14.7	-169.8	-61.8	-178.3	0	0	0	112.5	I33 R34 F59 L62 F548 L554	I33-I552 HydrophobicContact CG2-CG2 3.7Å; R34-I552 VanDerWaalsContact CB-O 3.23Å; R34-I552 WeakPolarHBondContact CB-O 3.08Å; R34-I552 WeakPolarHBondContact CG-O 3.3Å; R34-I552 PolarHBondContact N-O 3.01Å; F59-I552 HydrophobicContact CD1-CD1 3.76Å; F59-I552 HydrophobicContact CD2-CD1 3.68Å; F59-I552 HydrophobicContact CD2-CG1 4.04Å; F59-I552 HydrophobicContact CE1-CD1 3.71Å; F59-I552 HydrophobicContact CE2-CD1 3.63Å; F59-I552 HydrophobicContact CE2-CG1 3.98Å; F59-I552 HydrophobicContact CE2-CG2 4.09Å; F59-I552 HydrophobicContact CG-CD1 3.77Å; F59-I552 HydrophobicContact CZ-CD1 3.66Å; F59-I552 HydrophobicContact CZ-CG1 4.42Å; F59-I552 HydrophobicContact CZ-CG2 4.16Å; L62-I552 HydrophobicContact CD2-CD1 3.3Å; L62-I552 HydrophobicContact CD2-CG1 3.99Å; F548-I552 PolarHBondContact O-N 2.88Å; I552-L554 HydrophobicContact CB-CB 4.39Å; I552-L554 HydrophobicContact CG2-CB 4.13Å; I552-L554 PolarHBondContact O-N 3.13Å
553	G	87.2	Confident	90.1	Very high	5 Å²	5	61.5 Å²	61.5	5%	0.052	34%	0.338	C	S	.	.			trans	73.6	10.8	-170.7	0	0	0	0	0	113.8	F548 S549 N555	F548-G553 PolarHBondContact O-N 3.46Å; S549-G553 WeakPolarHBondContact O-CA 3.18Å; S549-G553 PolarHBondContact O-N 3.37Å; G553-N555 PolarHBondContact O-N 2.93Å; G553-N555 PolarHBondContact O-ND2 3.39Å
554	L	87.8	Confident	89.9	Confident	51 Å²	51	62.3 Å²	62.3	27%	0.267	34%	0.342	S	S	.	.			trans	-71.4	119.7	-177	-167.2	167.4	0	0	0	108.9	F548 I552 V559	F548-L554 HydrophobicContact CB-CB 4.33Å; F548-L554 HydrophobicContact CD1-CD1 4.38Å; F548-L554 PolarHBondContact O-N 3.2Å; F548-L554 VanDerWaalsContact O-N 3.16Å; I552-L554 HydrophobicContact CB-CB 4.39Å; I552-L554 HydrophobicContact CG2-CB 4.13Å; I552-L554 PolarHBondContact O-N 3.13Å; L554-V559 HydrophobicContact CD2-CG2 4.16Å
555	N	86.4	Confident	89.8	Confident	71 Å²	71	62.7 Å²	62.7	38%	0.38	34%	0.343	S	S	.	.			trans	-130.9	-174.2	-179.5	66.7	60	0	0	0	110.8	G553 M557 S558 V559	G553-N555 PolarHBondContact O-N 2.93Å; G553-N555 PolarHBondContact O-ND2 3.39Å; N555-M557 VanDerWaalsContact C-N 3.28Å; N555-M557 PolarHBondContact O-N 3.42Å; N555-M557 WeakPolarHBondContact OD1-CA 3.29Å; N555-M557 VanDerWaalsContact OD1-CB 3.3Å; N555-M557 WeakPolarHBondContact OD1-CB 3.3Å; N555-M557 PolarHBondContact OD1-N 2.9Å; N555-S558 PolarHBondContact N-OG 3.25Å; N555-S558 VanDerWaalsContact O-CB 3.31Å; N555-S558 WeakPolarHBondContact O-CB 3.32Å; N555-S558 PolarHBondContact O-N 2.92Å; N555-S558 PolarHBondContact OD1-N 3.03Å; N555-V559 PolarHBondContact O-N 3.01Å
556	M	84.6	Confident	89.8	Confident	147 Å²	147	64.7 Å²	64.7	72%	0.724	34%	0.343	S	S	*	.	H	α-helix	trans	-61.5	-31.3	-177.2	-163.7	63.2	72.3	0	0	113.6	V559 I560	M556-V559 WeakPolarHBondContact O-CB 3.32Å; M556-V559 PolarHBondContact O-N 2.97Å; M556-I560 PolarHBondContact O-N 3.07Å
557	M	85.7	Confident	89.8	Confident	123 Å²	123	69.4 Å²	69.4	61%	0.606	36%	0.356	S	S	*	.	H	α-helix	trans	-69	-39	173.2	-61.7	-61.6	-170.5	0	0	111.4	N555 V559 I560 E561	N555-M557 VanDerWaalsContact C-N 3.28Å; N555-M557 PolarHBondContact O-N 3.42Å; N555-M557 WeakPolarHBondContact OD1-CA 3.29Å; N555-M557 VanDerWaalsContact OD1-CB 3.3Å; N555-M557 WeakPolarHBondContact OD1-CB 3.3Å; N555-M557 PolarHBondContact OD1-N 2.9Å; M557-V559 PolarHBondContact O-N 3.28Å; M557-I560 WeakPolarHBondContact O-CA 3.36Å; M557-I560 WeakPolarHBondContact O-CB 3.33Å; M557-I560 PolarHBondContact O-N 2.66Å; M557-I560 HydrophobicContact SD-CD1 4.02Å; M557-E561 WeakPolarHBondContact O-CG 3.34Å; M557-E561 PolarHBondContact O-N 3.37Å
558	S	87.6	Confident	89.6	Confident	1 Å²	1	72 Å²	72	1%	0.007	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-30.3	174.3	-40	0	0	0	0	112.5	T32 N555 V562	T32-S558 WeakPolarHBondContact OG1-CB 3.45Å; T32-S558 PolarHBondContact OG1-OG 3.15Å; N555-S558 PolarHBondContact N-OG 3.25Å; N555-S558 VanDerWaalsContact O-CB 3.31Å; N555-S558 WeakPolarHBondContact O-CB 3.32Å; N555-S558 PolarHBondContact O-N 2.92Å; N555-S558 PolarHBondContact OD1-N 3.03Å; S558-V562 WeakPolarHBondContact O-CG2 3.49Å; S558-V562 PolarHBondContact O-N 3.19Å
559	V	86.3	Confident	89.4	Confident	70 Å²	70	70.6 Å²	70.6	42%	0.424	36%	0.362	S	S	.	.	H	α-helix	trans	-69.6	-41.3	172.4	-179.5	0	0	0	0	111.1	L554 N555 M556 M557 V562 V563	L554-V559 HydrophobicContact CD2-CG2 4.16Å; N555-V559 PolarHBondContact O-N 3.01Å; M556-V559 WeakPolarHBondContact O-CB 3.32Å; M556-V559 PolarHBondContact O-N 2.97Å; M557-V559 PolarHBondContact O-N 3.28Å; V559-V562 PolarHBondContact O-N 3.38Å; V559-V563 WeakPolarHBondContact O-CG2 3.19Å; V559-V563 PolarHBondContact O-N 3.28Å
560	I	90.6	Very high	89.3	Confident	98 Å²	98	71.5 Å²	71.5	50%	0.503	36%	0.362	S	S	.	.	H	α-helix	trans	-63.6	-43.3	177	-64.4	167.3	0	0	0	110.9	M556 M557 V562 V563 E564	M556-I560 PolarHBondContact O-N 3.07Å; M557-I560 WeakPolarHBondContact O-CA 3.36Å; M557-I560 WeakPolarHBondContact O-CB 3.33Å; M557-I560 PolarHBondContact O-N 2.66Å; M557-I560 HydrophobicContact SD-CD1 4.02Å; I560-V562 VanDerWaalsContact C-N 3.28Å; I560-V562 PolarHBondContact O-N 3.07Å; I560-V563 PolarHBondContact O-N 3.05Å; I560-V563 VanDerWaalsContact O-N 3.11Å; I560-E564 PolarHBondContact O-N 3.19Å
561	E	90.3	Very high	89.2	Confident	34 Å²	34	67.4 Å²	67.4	16%	0.159	34%	0.343	C	S	.	.	H	α-helix	trans	-56.9	-39.4	173.8	-65.1	164.8	-154	0	0	112.5	F27 T31 T32 M557 E564 L565	F27-E561 HydrophobicContact CE2-CB 3.91Å; T31-E561 WeakPolarHBondContact CA-OE2 3.41Å; T31-E561 VanDerWaalsContact CB-OE2 3.22Å; T31-E561 WeakPolarHBondContact CB-OE2 3.42Å; T31-E561 PolarHBondContact OG1-OE2 3.15Å; T32-E561 VanDerWaalsContact CB-OE1 3.25Å; T32-E561 WeakPolarHBondContact CB-OE1 3.31Å; T32-E561 WeakPolarHBondContact CG2-OE1 3.43Å; T32-E561 PolarHBondContact N-OE1 2.88Å; T32-E561 PolarHBondContact N-OE2 3.44Å; T32-E561 PolarHBondContact OG1-OE1 3.33Å; T32-E561 PolarHBondContact OG1-OE2 3.4Å; M557-E561 WeakPolarHBondContact O-CG 3.34Å; M557-E561 PolarHBondContact O-N 3.37Å; E561-E564 PolarHBondContact O-N 3.29Å; E561-L565 WeakPolarHBondContact O-CB 3.29Å; E561-L565 PolarHBondContact O-N 3.2Å
562	V	88.4	Confident	88.9	Confident	55 Å²	55	68 Å²	68	33%	0.333	35%	0.345	S	S	.	.	H	α-helix	trans	-70.5	-36.8	177.4	169.9	0	0	0	0	111.2	F27 S558 V559 I560 L565 I566	F27-V562 HydrophobicContact CE2-CG2 4.05Å; F27-V562 HydrophobicContact CZ-CG2 3.81Å; S558-V562 WeakPolarHBondContact O-CG2 3.49Å; S558-V562 PolarHBondContact O-N 3.19Å; V559-V562 PolarHBondContact O-N 3.38Å; I560-V562 VanDerWaalsContact C-N 3.28Å; I560-V562 PolarHBondContact O-N 3.07Å; V562-L565 PolarHBondContact O-N 3.05Å; V562-I566 HydrophobicContact CG1-CD1 3.94Å; V562-I566 WeakPolarHBondContact O-CB 3.26Å; V562-I566 WeakPolarHBondContact O-CD1 3.14Å; V562-I566 VanDerWaalsContact O-CG1 3.22Å; V562-I566 WeakPolarHBondContact O-CG1 3.12Å; V562-I566 PolarHBondContact O-N 3.15Å
563	V	91.5	Very high	88.7	Confident	90 Å²	90	69.9 Å²	69.9	55%	0.545	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-40.8	173.2	172.3	0	0	0	0	111.3	V559 I560 I566 F567	V559-V563 WeakPolarHBondContact O-CG2 3.19Å; V559-V563 PolarHBondContact O-N 3.28Å; I560-V563 PolarHBondContact O-N 3.05Å; I560-V563 VanDerWaalsContact O-N 3.11Å; V563-I566 PolarHBondContact O-N 2.92Å; V563-F567 WeakPolarHBondContact O-CB 3.48Å; V563-F567 PolarHBondContact O-N 3.4Å
564	E	91.3	Very high	88.7	Confident	103 Å²	103	77.6 Å²	77.6	48%	0.481	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-50.4	172.7	-176.6	-174.4	168.1	0	0	111	I560 E561 I566 F567 H568	I560-E564 PolarHBondContact O-N 3.19Å; E561-E564 PolarHBondContact O-N 3.29Å; E564-I566 VanDerWaalsContact C-N 3.33Å; E564-I566 PolarHBondContact O-N 2.93Å; E564-F567 WeakPolarHBondContact O-CB 3.42Å; E564-F567 PolarHBondContact O-N 2.76Å; E564-F567 VanDerWaalsContact O-N 3.11Å; E564-H568 PolarHBondContact O-CD2 3.34Å; E564-H568 PolarHBondContact O-N 2.93Å
565	L	90.7	Very high	88.5	Confident	22 Å²	22	80 Å²	80	12%	0.115	40%	0.396	C	S	.	.	H	α-helix	trans	-54.6	-48.6	174.5	173.4	64.8	0	0	0	111.2	E23 F24 F27 E561 V562 F567 H568 L569	E23-L565 HydrophobicContact CB-CD1 4.49Å; F24-L565 HydrophobicContact CD2-CD2 4.45Å; F27-L565 HydrophobicContact CB-CD1 4Å; F27-L565 HydrophobicContact CB-CD2 4.23Å; F27-L565 HydrophobicContact CD1-CD2 3.83Å; F27-L565 HydrophobicContact CD2-CB 3.9Å; F27-L565 HydrophobicContact CD2-CD2 3.96Å; F27-L565 HydrophobicContact CD2-CG 4.39Å; F27-L565 HydrophobicContact CE1-CD2 4.16Å; F27-L565 HydrophobicContact CE2-CB 4.35Å; F27-L565 HydrophobicContact CE2-CD2 4.26Å; F27-L565 HydrophobicContact CG-CB 4.34Å; F27-L565 HydrophobicContact CG-CD1 4.37Å; F27-L565 HydrophobicContact CG-CD2 3.74Å; F27-L565 HydrophobicContact CG-CG 4.36Å; F27-L565 HydrophobicContact CZ-CD2 4.37Å; E561-L565 WeakPolarHBondContact O-CB 3.29Å; E561-L565 PolarHBondContact O-N 3.2Å; V562-L565 PolarHBondContact O-N 3.05Å; L565-F567 VanDerWaalsContact C-N 3.31Å; L565-F567 PolarHBondContact O-N 3.22Å; L565-H568 PolarHBondContact O-N 2.99Å; L565-L569 HydrophobicContact CD1-CD1 3.85Å; L565-L569 HydrophobicContact CD1-CD2 4.29Å; L565-L569 HydrophobicContact CD1-CG 3.88Å; L565-L569 HydrophobicContact CD2-CD1 4.41Å; L565-L569 HydrophobicContact CG-CD1 3.78Å; L565-L569 HydrophobicContact CG-CG 4.24Å; L565-L569 WeakPolarHBondContact O-CB 3.35Å; L565-L569 WeakPolarHBondContact O-CG 3.45Å; L565-L569 PolarHBondContact O-N 2.79Å
566	I	91.8	Very high	88.2	Confident	82 Å²	82	78.4 Å²	78.4	42%	0.421	39%	0.386	S	S	.	.	H	α-helix	trans	-58.9	-43.2	177.9	-72.2	164.9	0	0	0	110.9	V562 V563 E564 L569 I570	V562-I566 HydrophobicContact CG1-CD1 3.94Å; V562-I566 WeakPolarHBondContact O-CB 3.26Å; V562-I566 WeakPolarHBondContact O-CD1 3.14Å; V562-I566 VanDerWaalsContact O-CG1 3.22Å; V562-I566 WeakPolarHBondContact O-CG1 3.12Å; V562-I566 PolarHBondContact O-N 3.15Å; V563-I566 PolarHBondContact O-N 2.92Å; E564-I566 VanDerWaalsContact C-N 3.33Å; E564-I566 PolarHBondContact O-N 2.93Å; I566-L569 PolarHBondContact O-N 3.34Å; I566-I570 HydrophobicContact CG2-CD1 3.63Å; I566-I570 HydrophobicContact CG2-CG1 4.36Å; I566-I570 WeakPolarHBondContact O-CB 3.45Å; I566-I570 VanDerWaalsContact O-CG1 3.25Å; I566-I570 WeakPolarHBondContact O-CG1 3.37Å; I566-I570 PolarHBondContact O-N 3.29Å
567	F	93.6	Very high	87.9	Confident	129 Å²	129	75.1 Å²	75.1	57%	0.566	38%	0.377	S	S	*	.	H	α-helix	trans	-63.3	-42.9	177.1	-176.3	-96	0	0	0	112.6	V563 E564 L565 T571	V563-F567 WeakPolarHBondContact O-CB 3.48Å; V563-F567 PolarHBondContact O-N 3.4Å; E564-F567 WeakPolarHBondContact O-CB 3.42Å; E564-F567 PolarHBondContact O-N 2.76Å; E564-F567 VanDerWaalsContact O-N 3.11Å; L565-F567 VanDerWaalsContact C-N 3.31Å; L565-F567 PolarHBondContact O-N 3.22Å; F567-T571 VanDerWaalsContact O-CB 3.23Å; F567-T571 WeakPolarHBondContact O-CB 3.11Å; F567-T571 PolarHBondContact O-N 3.29Å; F567-T571 PolarHBondContact O-OG1 3.12Å
568	H	89.7	Confident	87.6	Confident	86 Å²	86	76.6 Å²	76.6	40%	0.398	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-46.1	175.3	-86	-102.2	0	0	0	112	E564 L565 T571 R572	E564-H568 PolarHBondContact O-CD2 3.34Å; E564-H568 PolarHBondContact O-N 2.93Å; L565-H568 PolarHBondContact O-N 2.99Å; H568-T571 PolarHBondContact O-N 3.23Å; H568-R572 WeakPolarHBondContact O-CB 3.43Å; H568-R572 PolarHBondContact O-N 3.25Å
569	L	89.4	Confident	87	Confident	46 Å²	46	84.8 Å²	84.8	24%	0.241	41%	0.411	C	S	.	.	H	α-helix	trans	-61.2	-46.3	176.7	-66	171.9	0	0	0	111.6	L20 E23 L565 I566 R572 C573	L20-L569 HydrophobicContact CD2-CB 4.48Å; L20-L569 HydrophobicContact CD2-CD2 3.55Å; E23-L569 HydrophobicContact CB-CD2 4.22Å; L565-L569 HydrophobicContact CD1-CD1 3.85Å; L565-L569 HydrophobicContact CD1-CD2 4.29Å; L565-L569 HydrophobicContact CD1-CG 3.88Å; L565-L569 HydrophobicContact CD2-CD1 4.41Å; L565-L569 HydrophobicContact CG-CD1 3.78Å; L565-L569 HydrophobicContact CG-CG 4.24Å; L565-L569 WeakPolarHBondContact O-CB 3.35Å; L565-L569 WeakPolarHBondContact O-CG 3.45Å; L565-L569 PolarHBondContact O-N 2.79Å; I566-L569 PolarHBondContact O-N 3.34Å; L569-R572 PolarHBondContact O-N 3.45Å; L569-C573 WeakPolarHBondContact O-CB 3.29Å; L569-C573 PolarHBondContact O-N 2.93Å; L569-C573 PolarHBondContact O-SG 3.35Å
570	I	89.8	Confident	86.3	Confident	76 Å²	76	84.9 Å²	84.9	39%	0.39	41%	0.406	S	S	.	.	H	α-helix	trans	-61.5	-46.2	176	-72.4	170.8	0	0	0	110.6	I566 R572 C573 R574	I566-I570 HydrophobicContact CG2-CD1 3.63Å; I566-I570 HydrophobicContact CG2-CG1 4.36Å; I566-I570 WeakPolarHBondContact O-CB 3.45Å; I566-I570 VanDerWaalsContact O-CG1 3.25Å; I566-I570 WeakPolarHBondContact O-CG1 3.37Å; I566-I570 PolarHBondContact O-N 3.29Å; I570-R572 PolarHBondContact O-N 3.23Å; I570-C573 PolarHBondContact O-N 3.48Å; I570-R574 HydrophobicContact CG2-CG 4.31Å; I570-R574 WeakPolarHBondContact O-CB 3.12Å; I570-R574 WeakPolarHBondContact O-CG 3.13Å; I570-R574 PolarHBondContact O-N 3.37Å
571	T	89.7	Confident	85.1	Confident	44 Å²	44	89.8 Å²	89.8	27%	0.27	42%	0.418	S	S	.	.	H	α-helix	trans	-62.5	-42.9	-179.9	-65.9	0	0	0	0	111.3	F567 H568 R574 Q575	F567-T571 VanDerWaalsContact O-CB 3.23Å; F567-T571 WeakPolarHBondContact O-CB 3.11Å; F567-T571 PolarHBondContact O-N 3.29Å; F567-T571 PolarHBondContact O-OG1 3.12Å; H568-T571 PolarHBondContact O-N 3.23Å; T571-R574 PolarHBondContact O-N 3.3Å; T571-Q575 WeakPolarHBondContact O-CG 3.36Å; T571-Q575 PolarHBondContact O-N 3.07Å
572	R	85	Confident	84.1	Confident	87 Å²	87	93.7 Å²	93.7	33%	0.328	44%	0.439	S	S	.	.	H	α-helix	trans	-68.3	-38	178.4	-157.5	155.1	-170.9	153.5	2.3	112.4	E23 H568 L569 I570 F576	E23-R572 VanDerWaalsContact OE1-CD 3.24Å; E23-R572 WeakPolarHBondContact OE1-CD 3.37Å; E23-R572 IonicContact OE1-CZ 3.92Å; E23-R572 IonicContact OE1-NE 3.37Å; E23-R572 IonicContact OE1-NH1 3.73Å; E23-R572 PolarHBondContact OE1-NH1 2.89Å; E23-R572 IonicContact OE2-NH1 3.24Å; E23-R572 PolarHBondContact OE2-NH1 3.36Å; H568-R572 WeakPolarHBondContact O-CB 3.43Å; H568-R572 PolarHBondContact O-N 3.25Å; L569-R572 PolarHBondContact O-N 3.45Å; I570-R572 PolarHBondContact O-N 3.23Å; R572-F576 WeakPolarHBondContact O-CB 3.31Å; R572-F576 PolarHBondContact O-N 3.16Å
573	C	85.5	Confident	82.7	Confident	47 Å²	47	98.2 Å²	98.2	32%	0.318	45%	0.45	S	S	.	.	H	α-helix	trans	-65.3	-39.9	170.2	-77.1	0	0	0	0	112.9	L569 I570 F576 S577	L569-C573 WeakPolarHBondContact O-CB 3.29Å; L569-C573 PolarHBondContact O-N 2.93Å; L569-C573 PolarHBondContact O-SG 3.35Å; I570-C573 PolarHBondContact O-N 3.48Å; C573-F576 PolarHBondContact O-N 3.08Å; C573-S577 WeakPolarHBondContact O-CB 3.34Å; C573-S577 PolarHBondContact O-N 3.42Å; C573-S577 PolarHBondContact O-OG 2.77Å
574	R	87.6	Confident	81.2	Confident	168 Å²	168	103 Å²	103	63%	0.634	46%	0.458	S	S	*	.	H	α-helix	trans	-65.2	-43.6	174.6	-77.3	175.5	172.2	176.7	-3.4	111.8	I570 T571 S577 K578	I570-R574 HydrophobicContact CG2-CG 4.31Å; I570-R574 WeakPolarHBondContact O-CB 3.12Å; I570-R574 WeakPolarHBondContact O-CG 3.13Å; I570-R574 PolarHBondContact O-N 3.37Å; T571-R574 PolarHBondContact O-N 3.3Å; R574-S577 PolarHBondContact O-N 2.65Å; R574-K578 PolarHBondContact O-N 3.26Å
575	Q	83.9	Confident	79.6	Confident	102 Å²	102	102.2 Å²	102.2	48%	0.477	46%	0.461	S	S	.	.	H	α-helix	trans	-60.3	-43.9	174.1	-74.6	179.7	8.4	0	0	111.9	T571 K578 R579	T571-Q575 WeakPolarHBondContact O-CG 3.36Å; T571-Q575 PolarHBondContact O-N 3.07Å; Q575-K578 PolarHBondContact O-N 3.32Å; Q575-R579 WeakPolarHBondContact O-CG 3.42Å; Q575-R579 PolarHBondContact O-N 2.71Å
576	F	79.5	Confident	78	Confident	36 Å²	36	107.2 Å²	107.2	16%	0.158	48%	0.484	C	S	.	.	H	α-helix	trans	-61.6	-46.9	176.1	-176.3	-99.2	0	0	0	112	E12 L16 R572 C573 K578 R579 K580	E12-F576 HydrophobicContact CB-CE2 3.77Å; E12-F576 HydrophobicContact CB-CZ 3.72Å; E12-F576 WeakPolarHBondContact O-CE2 3.35Å; E12-F576 WeakPolarHBondContact O-CZ 3.14Å; L16-F576 HydrophobicContact CB-CD1 4.44Å; L16-F576 HydrophobicContact CB-CD2 3.91Å; L16-F576 HydrophobicContact CB-CE1 4.41Å; L16-F576 HydrophobicContact CB-CE2 3.89Å; L16-F576 HydrophobicContact CB-CG 4.19Å; L16-F576 HydrophobicContact CB-CZ 4.13Å; L16-F576 HydrophobicContact CD1-CB 3.97Å; L16-F576 HydrophobicContact CD1-CD2 4.4Å; L16-F576 HydrophobicContact CD1-CG 4.05Å; L16-F576 HydrophobicContact CD2-CD1 3.72Å; L16-F576 HydrophobicContact CD2-CE1 3.92Å; L16-F576 HydrophobicContact CD2-CG 4.08Å; L16-F576 HydrophobicContact CD2-CZ 4.46Å; L16-F576 HydrophobicContact CG-CD1 4.44Å; L16-F576 HydrophobicContact CG-CG 4.32Å; R572-F576 WeakPolarHBondContact O-CB 3.31Å; R572-F576 PolarHBondContact O-N 3.16Å; C573-F576 PolarHBondContact O-N 3.08Å; F576-K578 PolarHBondContact O-N 3.32Å; F576-R579 PolarHBondContact O-N 2.72Å; F576-K580 HydrophobicContact CE1-CD 4.1Å; F576-K580 WeakPolarHBondContact O-CB 3.4Å; F576-K580 PolarHBondContact O-N 3.24Å
577	S	78.2	Confident	76.1	Confident	78 Å²	78	111 Å²	111	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-61.1	-40.1	175.3	-67.3	0	0	0	0	112.6	C573 R574 K580 R581	C573-S577 WeakPolarHBondContact O-CB 3.34Å; C573-S577 PolarHBondContact O-N 3.42Å; C573-S577 PolarHBondContact O-OG 2.77Å; R574-S577 PolarHBondContact O-N 2.65Å; S577-K580 PolarHBondContact O-N 2.84Å; S577-R581 WeakPolarHBondContact O-CB 3.38Å; S577-R581 PolarHBondContact O-N 3.14Å
578	K	79	Confident	74.1	Confident	155 Å²	155	112.8 Å²	112.8	67%	0.674	51%	0.505	S	S	*	.	H	α-helix	trans	-60.7	-48.3	172.1	-78.2	-170.8	176.6	-171.8	0	111.7	R574 Q575 F576 K580 R581 L582	R574-K578 PolarHBondContact O-N 3.26Å; Q575-K578 PolarHBondContact O-N 3.32Å; F576-K578 PolarHBondContact O-N 3.32Å; K578-K580 PolarHBondContact O-N 3.44Å; K578-R581 PolarHBondContact O-N 3.34Å; K578-L582 PolarHBondContact O-N 3.06Å
579	R	75.6	Confident	72.1	Confident	173 Å²	173	115.1 Å²	115.1	65%	0.653	52%	0.516	S	S	*	.	H	α-helix	trans	-60.6	-42.2	177.5	-72.9	178.7	178.3	-173.2	-0.4	112.3	Q575 F576 R581 L582 R583	Q575-R579 WeakPolarHBondContact O-CG 3.42Å; Q575-R579 PolarHBondContact O-N 2.71Å; F576-R579 PolarHBondContact O-N 2.72Å; R579-R581 VanDerWaalsContact C-N 3.33Å; R579-R581 PolarHBondContact O-N 3.12Å; R579-L582 PolarHBondContact O-N 2.99Å; R579-R583 PolarHBondContact O-N 3.07Å
580	K	70.6	Confident	70.1	Confident	71 Å²	71	118 Å²	118	31%	0.309	54%	0.535	S	S	.	.	H	α-helix	trans	-67.7	-30	176.7	-164.7	167.3	-174.5	170.2	0	112.8	F576 S577 K578 R584	F576-K580 HydrophobicContact CE1-CD 4.1Å; F576-K580 WeakPolarHBondContact O-CB 3.4Å; F576-K580 PolarHBondContact O-N 3.24Å; S577-K580 PolarHBondContact O-N 2.84Å; K578-K580 PolarHBondContact O-N 3.44Å; K580-R584 WeakPolarHBondContact O-CG 3.05Å; K580-R584 PolarHBondContact O-N 3.41Å
581	R	66.9	Low	68	Low	202 Å²	202	119.3 Å²	119.3	76%	0.762	55%	0.547	S	S	*	.	H	α-helix	trans	-74.5	-49	173	-163.1	173.5	-173.6	173.3	1.1	111.6	S577 K578 R579 R583 R584 T585	S577-R581 WeakPolarHBondContact O-CB 3.38Å; S577-R581 PolarHBondContact O-N 3.14Å; K578-R581 PolarHBondContact O-N 3.34Å; R579-R581 VanDerWaalsContact C-N 3.33Å; R579-R581 PolarHBondContact O-N 3.12Å; R581-R583 PolarHBondContact O-N 2.95Å; R581-R584 WeakPolarHBondContact O-CB 3.31Å; R581-R584 PolarHBondContact O-N 3.42Å; R581-T585 PolarHBondContact O-N 3.45Å; R581-T585 VanDerWaalsContact O-N 3.12Å; R581-T585 PolarHBondContact O-OG1 2.83Å
582	L	68.6	Low	65.8	Low	116 Å²	116	121.9 Å²	121.9	61%	0.607	57%	0.566	S	S	*	*	H	α-helix	trans	-53.6	-48	174.9	-85.9	156.4	0	0	0	112.1	K578 R579 R584 T585 Q586	K578-L582 PolarHBondContact O-N 3.06Å; R579-L582 PolarHBondContact O-N 2.99Å; L582-R584 VanDerWaalsContact C-N 3.3Å; L582-R584 PolarHBondContact O-N 2.81Å; L582-T585 WeakPolarHBondContact O-CB 3.3Å; L582-T585 PolarHBondContact O-N 3.42Å; L582-T585 VanDerWaalsContact O-N 3.13Å; L582-Q586 PolarHBondContact O-N 3.24Å
583	R	59.2	Low	63.5	Low	150 Å²	150	124.3 Å²	124.3	57%	0.566	59%	0.585	S	S	*	*	H	α-helix	trans	-65.4	-27.7	176.9	-77.1	-178	164.9	-176.7	-7.1	114.1	E12 R579 R581 K587	E12-R583 IonicContact OE1-CZ 3.79Å; E12-R583 IonicContact OE1-NH1 2.75Å; E12-R583 PolarHBondContact OE1-NH1 3.29Å; R579-R583 PolarHBondContact O-N 3.07Å; R581-R583 PolarHBondContact O-N 2.95Å; R583-K587 WeakPolarHBondContact O-CB 3.49Å; R583-K587 PolarHBondContact O-N 3.02Å
584	R	58.8	Low	61.3	Low	189 Å²	189	128 Å²	128	71%	0.713	61%	0.607	S	S	*	*	H	α-helix	trans	-70.6	-35.4	171.7	-83.5	178.3	164.1	-172.4	-6.7	112.1	K580 R581 L582 K588	K580-R584 WeakPolarHBondContact O-CG 3.05Å; K580-R584 PolarHBondContact O-N 3.41Å; R581-R584 WeakPolarHBondContact O-CB 3.31Å; R581-R584 PolarHBondContact O-N 3.42Å; L582-R584 VanDerWaalsContact C-N 3.3Å; L582-R584 PolarHBondContact O-N 2.81Å; R584-K588 PolarHBondContact O-N 3.32Å
585	T	57.9	Low	58.9	Low	87 Å²	87	126 Å²	126	53%	0.534	62%	0.615	S	S	.	*	H	α-helix	trans	-66.3	-49.6	170.5	-43.8	0	0	0	0	110.5	R581 L582 K587 K588 Q589	R581-T585 PolarHBondContact O-N 3.45Å; R581-T585 VanDerWaalsContact O-N 3.12Å; R581-T585 PolarHBondContact O-OG1 2.83Å; L582-T585 WeakPolarHBondContact O-CB 3.3Å; L582-T585 PolarHBondContact O-N 3.42Å; L582-T585 VanDerWaalsContact O-N 3.13Å; T585-K587 VanDerWaalsContact C-N 3.31Å; T585-K587 PolarHBondContact O-N 3.32Å; T585-K588 WeakPolarHBondContact O-CB 3.39Å; T585-K588 PolarHBondContact O-N 3.31Å; T585-Q589 PolarHBondContact O-N 2.93Å
586	Q	57.3	Low	56.7	Low	127 Å²	127	131.1 Å²	131.1	59%	0.593	64%	0.636	S	S	*	*	H	α-helix	trans	-62.5	-35.2	-177.6	-151.7	170.2	22.6	0	0	112.8	L582 K588 Q589 T590	L582-Q586 PolarHBondContact O-N 3.24Å; Q586-K588 VanDerWaalsContact C-N 3.32Å; Q586-Q589 PolarHBondContact O-N 3.23Å; Q586-T590 PolarHBondContact O-N 2.88Å; Q586-T590 VanDerWaalsContact O-N 3.15Å; Q586-T590 PolarHBondContact O-OG1 3.45Å; Q586-T590 VanDerWaalsContact O-OG1 3.1Å
587	K	53	Low	54.5	Low	163 Å²	163	135 Å²	135	71%	0.709	67%	0.667	S	S	*	*	H	α-helix	trans	-78.6	-8.2	174.1	-150.1	-170.8	178.5	-172.4	0	114.5	R583 T585 T591	R583-K587 WeakPolarHBondContact O-CB 3.49Å; R583-K587 PolarHBondContact O-N 3.02Å; T585-K587 VanDerWaalsContact C-N 3.31Å; T585-K587 PolarHBondContact O-N 3.32Å; K587-T591 PolarHBondContact O-OG1 2.93Å
588	K	50.5	Low	52.3	Low	166 Å²	166	138.7 Å²	138.7	72%	0.722	68%	0.68	S	S	*	*	H	α-helix	trans	-82.4	-27.5	164.2	-102.5	-165.2	169.7	-160.2	0	111.7	R584 T585 Q586 T591	R584-K588 PolarHBondContact O-N 3.32Å; T585-K588 WeakPolarHBondContact O-CB 3.39Å; T585-K588 PolarHBondContact O-N 3.31Å; Q586-K588 VanDerWaalsContact C-N 3.32Å; K588-T591 PolarHBondContact O-OG1 3.4Å
589	Q	49	Very low	50.1	Low	134 Å²	134	138.2 Å²	138.2	63%	0.626	69%	0.691	S	S	*	*	H	α-helix	trans	-81.9	-43.3	-176.9	-154.9	154.7	2	0	0	111.1	T585 Q586 T591 C592	T585-Q589 PolarHBondContact O-N 2.93Å; Q586-Q589 PolarHBondContact O-N 3.23Å; Q589-T591 PolarHBondContact O-N 3.41Å; Q589-C592 PolarHBondContact O-N 3.39Å; Q589-C592 VanDerWaalsContact O-N 3.13Å
590	T	47.5	Very low	47.9	Very low	106 Å²	106	137 Å²	137	65%	0.65	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	18.4	172	45.4	0	0	0	0	115.3	Q586	Q586-T590 PolarHBondContact O-N 2.88Å; Q586-T590 VanDerWaalsContact O-N 3.15Å; Q586-T590 PolarHBondContact O-OG1 3.45Å; Q586-T590 VanDerWaalsContact O-OG1 3.1Å
591	T	45.3	Very low	46.2	Very low	105 Å²	105	140.7 Å²	140.7	64%	0.644	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	9	170.4	43.4	0	0	0	0	113.3	K587 K588 Q589	K587-T591 PolarHBondContact O-OG1 2.93Å; K588-T591 PolarHBondContact O-OG1 3.4Å; Q589-T591 PolarHBondContact O-N 3.41Å
592	C	42.6	Very low	44.5	Very low	98 Å²	98	138 Å²	138	66%	0.662	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-24.1	178.2	-64.4	0	0	0	0	113.9	Q589 T594	Q589-C592 PolarHBondContact O-N 3.39Å; Q589-C592 VanDerWaalsContact O-N 3.13Å; C592-T594 PolarHBondContact O-N 2.87Å
593	D	37.3	Very low	42.8	Very low	137 Å²	137	137.3 Å²	137.3	73%	0.733	73%	0.732	S	S	*	*			trans	-92.3	87.2	-169.7	-57	-40.4	0	0	0	112.3
594	T	40	Very low	41.6	Very low	125 Å²	125	138.6 Å²	138.6	77%	0.767	74%	0.744	S	S	*	*			trans	-118.2	125.4	162.2	-50.1	0	0	0	0	107.7	C592	C592-T594 PolarHBondContact O-N 2.87Å
595	P	37	Very low	40.3	Very low	125 Å²	125	135.8 Å²	135.8	81%	0.812	75%	0.748	S	S	*	*			trans	-74	142.1	-160.8	28	-35.7	0	0	0	113.8
596	K	37.1	Very low	39	Very low	210 Å²	210	134.8 Å²	134.8	91%	0.913	76%	0.755	S	S	*	*			trans	-129.2	151.9	158.5	-76.3	-168.9	174.1	-174.3	0	109.7
597	S	32.9	Very low	37.8	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	77%	0.765	S	S	*	*			trans	-84.8	171.8	-166.8	52	0	0	0	0	114.7
598	L	32.2	Very low	36.8	Very low	157 Å²	157	133.7 Å²	133.7	82%	0.822	77%	0.77	S	S	*	*			trans	-48.4	142.7	-177	-67.6	66	0	0	0	114.9
599	T	33.6	Very low	35.8	Very low	145 Å²	145	133.3 Å²	133.3	89%	0.89	77%	0.771	S	S	*	*				-166.3	154.6	109.5	17.7	0	0	0	0	110.7
600	N	28.8	Very low	35	Very low	148 Å²	148	132.1 Å²	132.1	79%	0.791	77%	0.769	S	S	*	*			trans	-95.9	152.4	-179.7	-70.9	-12.6	0	0	0	111.7
601	T	33.9	Very low	34.2	Very low	148 Å²	148	134 Å²	134	91%	0.908	77%	0.77	S	S	*	*			trans	-153.9	158.2	136.6	6.6	0	0	0	0	111.1
602	N	32.2	Very low	33.6	Very low	144 Å²	144	135.1 Å²	135.1	77%	0.77	77%	0.771	S	S	*	*			trans	-96.4	-173.7	-156.3	-55.9	-23.1	0	0	0	115.4
603	S	32.9	Very low	33	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	77%	0.769	S	S	*	*			trans	102.7	109.5	161	73.3	0	0	0	0	115
604	E	34	Very low	32.6	Very low	177 Å²	177	135.4 Å²	135.4	83%	0.827	77%	0.77	S	S	*	*				103.4	151.6	54.3	-89.6	-175.6	149.9	0	0	110.7
605	T	30.6	Very low	32.3	Very low	129 Å²	129	138.7 Å²	138.7	79%	0.791	78%	0.776	S	S	*	*			cis	-162.5	171.8	-40.8	9.2	0	0	0	0	108.7
606	G	31.8	Very low	31.9	Very low	67 Å²	67	135.8 Å²	135.8	69%	0.691	77%	0.77	S	S	*	*			trans	117.5	104.4	175.6	0	0	0	0	0	112.2
607	V	31.6	Very low	31.5	Very low	133 Å²	133	132.5 Å²	132.5	81%	0.806	77%	0.766	S	S	*	*			cis	76.3	107.6	27.1	-166.3	0	0	0	0	114.3
608	V	32.6	Very low	31.2	Very low	133 Å²	133	132.5 Å²	132.5	81%	0.806	76%	0.761	S	S	*	*				-177.7	156.5	124.5	148.4	0	0	0	0	109.3
609	Q	29.5	Very low	30.9	Very low	158 Å²	158	133.6 Å²	133.6	74%	0.738	76%	0.759	S	S	*	*			trans	-102.2	-175.9	-172.9	-133.1	86.6	-24.2	0	0	110
610	D	30.6	Very low	30.7	Very low	109 Å²	109	134.6 Å²	134.6	58%	0.583	75%	0.754	S	S	*	*			cis	-166.7	-177.3	14.4	-142.5	-26.3	0	0	0	113.7
611	Q	31.4	Very low	30.5	Very low	146 Å²	146	133.2 Å²	133.2	68%	0.682	75%	0.751	S	S	*	*			trans	27.5	150.2	134.9	-84.1	169.1	75.3	0	0	122.4
612	I	32.6	Very low	30.2	Very low	128 Å²	128	133 Å²	133	66%	0.656	74%	0.74	S	S	*	*			cis	-165.7	163.3	1.2	-138.4	170.4	0	0	0	114.9
613	T	29.9	Very low	29.8	Very low	103 Å²	103	133.1 Å²	133.1	63%	0.632	73%	0.734	S	S	*	*			trans	53.4	116.5	159	55.8	0	0	0	0	126.7
614	N	30.1	Very low	29.4	Very low	139 Å²	139	138 Å²	138	74%	0.743	74%	0.738	S	S	*	*				65.5	143.5	114.3	-69.4	-16.8	0	0	0	127.5
615	Q	32.2	Very low	28.9	Very low	193 Å²	193	139.3 Å²	139.3	90%	0.902	74%	0.735	S	S	*	*			trans	69.5	146.9	158.2	-68.9	172.7	18.6	0	0	118.2
616	G	29	Very low	28.8	Very low	65 Å²	65	140.8 Å²	140.8	67%	0.67	73%	0.731	S	S	*	*			cis	172.5	172.1	-6.6	0	0	0	0	0	113.1
617	V	28.3	Very low	28.4	Very low	140 Å²	140	143 Å²	143	85%	0.848	73%	0.726	S	S	*	*			trans	70.8	132.6	174.8	-171.3	0	0	0	0	115.3
618	V	27.6	Very low	28.1	Very low	117 Å²	117	144 Å²	144	71%	0.709	73%	0.727	S	S	*	*			cis	113.6	104.5	5.4	176.9	0	0	0	0	115.6
619	K	26.3	Very low	28	Very low	180 Å²	180	146 Å²	146	78%	0.783	73%	0.73	S	S	*	*			trans	117.8	153.9	155	-79	165.5	-177.1	178.3	0	115.8
620	Q	27.9	Very low	27.9	Very low	166 Å²	166	144.6 Å²	144.6	78%	0.776	73%	0.733	S	S	*	*			cis	-145.2	-177.6	10.3	-149	148.8	-51.8	0	0	113.9
621	T	25.4	Very low	28	Very low	120 Å²	120	146.9 Å²	146.9	74%	0.736	74%	0.743	S	S	*	*			trans	-81.1	173.8	176	55.8	0	0	0	0	112.8
622	E	27.9	Very low	27.9	Very low	144 Å²	144	147.9 Å²	147.9	67%	0.673	75%	0.753	S	S	*	*			cis	-137.5	-153.4	14	-56.3	178.5	89.8	0	0	110.7
623	K	24.4	Very low	27.9	Very low	146 Å²	146	149.3 Å²	149.3	64%	0.635	76%	0.762	S	S	*	*			cis	-160.6	-165.2	1.2	-140.4	165.4	-168.4	138.9	0	112.6
624	Y	23.9	Very low	27.9	Very low	206 Å²	206	147.3 Å²	147.3	81%	0.808	76%	0.762	S	S	*	*			trans	-29.8	156.4	164.3	-78.8	-69.3	0	0	0	118.1
625	R	24	Very low	28.1	Very low	203 Å²	203	146.8 Å²	146.8	77%	0.766	77%	0.766	S	S	*	*			cis	-163.1	167.8	20.3	-156.9	-175.5	165.2	141.9	-0.9	111.8
626	K	26.9	Very low	28	Very low	161 Å²	161	145.2 Å²	145.2	70%	0.7	76%	0.762	S	S	*	*			trans	76.5	154.1	158.5	-61.7	-151.2	163.1	-163.2	0	118.2
627	D	25	Very low	28	Very low	112 Å²	112	149.4 Å²	149.4	60%	0.599	76%	0.764	S	S	*	*			cis	-162.5	171.2	-34.6	-92.6	-23.7	0	0	0	106.4
628	D	25.1	Very low	28	Very low	155 Å²	155	150.3 Å²	150.3	83%	0.829	76%	0.763	S	S	*	*			trans	55.4	108.1	163.5	-62.1	-35.6	0	0	0	121.4
629	M	30.8	Very low	28.1	Very low	174 Å²	174	152.4 Å²	152.4	86%	0.857	76%	0.764	S	S	*	*			trans	-146.5	81.8	139.8	-149	175.7	-65.2	0	0	112.3
630	T	26.9	Very low	28.2	Very low	130 Å²	130	149.1 Å²	149.1	80%	0.798	76%	0.762	S	S	*	*			trans	33.8	106.4	151.1	57.3	0	0	0	0	119.2
631	I	32.2	Very low	28.3	Very low	157 Å²	157	152.3 Å²	152.3	81%	0.805	77%	0.767	S	S	*	*			trans	-119.6	126.6	153.8	-65.3	179.8	0	0	0	108.5	N633	I631-N633 PolarHBondContact O-N 3.5Å
632	N	28.7	Very low	28.4	Very low	167 Å²	167	155.7 Å²	155.7	89%	0.893	77%	0.771	S	S	*	*			trans	-66.5	119.6	176.8	-84.9	-28	0	0	0	111.3
633	N	32.7	Very low	28.3	Very low	158 Å²	158	160.5 Å²	160.5	85%	0.845	78%	0.783	S	S	*	*			trans	-105.5	125.4	161.6	-81.8	-33	0	0	0	109.5	I631	I631-N633 PolarHBondContact O-N 3.5Å
634	G	31.5	Very low	28.5	Very low	61 Å²	61	159.3 Å²	159.3	63%	0.629	79%	0.793	S	S	*	*			trans	-75.7	171.9	173.7	0	0	0	0	0	112.9	I636	G634-I636 PolarHBondContact O-N 2.99Å
635	P	32.7	Very low	28.7	Very low	127 Å²	127	155.1 Å²	155.1	83%	0.825	79%	0.791	S	S	*	*			trans	-68	130.1	-175.2	27.8	-34.9	0	0	0	112.3	Q637	P635-Q637 PolarHBondContact O-N 3.49Å; P635-Q637 VanDerWaalsContact O-N 3.13Å
636	I	31.4	Very low	28.9	Very low	161 Å²	161	151.3 Å²	151.3	83%	0.826	80%	0.796	S	S	*	*			trans	-73.7	101.6	170.2	-61	176	0	0	0	108.3	G634 I638	G634-I636 PolarHBondContact O-N 2.99Å; I636-I638 PolarHBondContact O-N 3.39Å
637	Q	28.5	Very low	28.9	Very low	152 Å²	152	148 Å²	148	71%	0.71	80%	0.798	S	S	*	*			trans	-71.9	113.8	168.3	-75.3	-166.3	-11.7	0	0	110.3	P635 H639	P635-Q637 PolarHBondContact O-N 3.49Å; P635-Q637 VanDerWaalsContact O-N 3.13Å; Q637-H639 PolarHBondContact O-N 2.59Å; Q637-H639 VanDerWaalsContact O-N 3.12Å
638	I	28.6	Very low	29	Very low	160 Å²	160	147.8 Å²	147.8	82%	0.821	80%	0.803	S	S	*	*			trans	-73.9	99.6	169.8	-59.3	174.8	0	0	0	108.1	I636 P640	I636-I638 PolarHBondContact O-N 3.39Å; I638-P640 WeakPolarHBondContact O-CD 3.5Å
639	H	29.6	Very low	28.9	Very low	160 Å²	160	147.9 Å²	147.9	74%	0.741	80%	0.804	S	S	*	*			trans	-89.1	119.9	176.6	-109.5	-25.6	0	0	0	111.3	Q637	Q637-H639 PolarHBondContact O-N 2.59Å; Q637-H639 VanDerWaalsContact O-N 3.12Å
640	P	28.7	Very low	28.7	Very low	112 Å²	112	148.3 Å²	148.3	73%	0.727	80%	0.803	S	S	*	*			trans	-81.3	122.4	180	31.1	-33.7	0	0	0	112.2	I638	I638-P640 WeakPolarHBondContact O-CD 3.5Å
641	R	28.7	Very low	28.5	Very low	232 Å²	232	150.9 Å²	150.9	88%	0.875	81%	0.809	S	S	*	*			trans	-145.6	144.1	162.9	-76.9	-170	178.1	-168.3	0.2	108.9
642	K	28.8	Very low	28.2	Very low	191 Å²	191	149.9 Å²	149.9	83%	0.83	81%	0.809	S	S	*	*			cis	173.7	119.1	-20	-122.2	-173.1	178.8	-172	0	102.9
643	R	25.3	Very low	28.1	Very low	245 Å²	245	145.7 Å²	145.7	93%	0.925	79%	0.793	S	S	*	*			trans	11.3	127	162.5	-63.3	178.1	175.9	173.9	-2.9	119.2
644	S	27.9	Very low	27.7	Very low	121 Å²	121	141.6 Å²	141.6	85%	0.846	79%	0.789	S	S	*	*			trans	-104.9	152.4	137.3	-62.1	0	0	0	0	109.1
645	P	29.5	Very low	27.4	Very low	118 Å²	118	144.9 Å²	144.9	77%	0.766	79%	0.792	S	S	*	*			trans	-110.7	178.7	-174	41.6	-34.2	0	0	0	114.6
646	S	26.9	Very low	27.1	Very low	123 Å²	123	144.6 Å²	144.6	86%	0.86	79%	0.788	S	S	*	*			trans	66.7	152.2	175.5	72.4	0	0	0	0	116.4
647	A	27.9	Very low	26.7	Very low	91 Å²	91	140.9 Å²	140.9	75%	0.752	78%	0.776	S	S	*	*			cis	-124.8	-157	9	0	0	0	0	0	112.5
648	P	27.1	Very low	26.6	Very low	109 Å²	109	139.4 Å²	139.4	71%	0.708	77%	0.772	S	S	*	*				-122.3	159.9	-123.6	34.1	-14	0	0	0	117.5
649	N	23.7	Very low	26.5	Very low	157 Å²	157	141.4 Å²	141.4	84%	0.84	77%	0.771	S	S	*	*			trans	37.6	92.7	151.2	-61.7	2	0	0	0	118.6
650	Q	26.1	Very low	26.2	Very low	182 Å²	182	140.7 Å²	140.7	85%	0.85	77%	0.772	S	S	*	*			trans	-114	113.5	138.1	-78	-171.3	-21.8	0	0	109.4	V652	Q650-V652 PolarHBondContact O-N 3Å; Q650-V652 VanDerWaalsContact O-N 3.12Å
651	M	22.5	Very low	26.1	Very low	184 Å²	184	141.1 Å²	141.1	91%	0.906	78%	0.775	S	S	*	*			trans	-74.9	91.4	166.4	-78.7	174.9	150.8	0	0	108.5	S653	M651-S653 PolarHBondContact O-N 3.22Å
652	V	25.6	Very low	26	Very low	136 Å²	136	139.1 Å²	139.1	82%	0.824	78%	0.775	S	S	*	*			trans	-76.7	82.3	160	-177.5	0	0	0	0	106.8	Q650 G654	Q650-V652 PolarHBondContact O-N 3Å; Q650-V652 VanDerWaalsContact O-N 3.12Å; V652-G654 PolarHBondContact O-N 2.68Å; V652-G654 VanDerWaalsContact O-N 3.08Å
653	S	26.5	Very low	26	Very low	79 Å²	79	141.6 Å²	141.6	55%	0.552	80%	0.795	S	S	*	*			trans	-70.4	104.6	175.3	52.8	0	0	0	0	109.2	M651 N655	M651-S653 PolarHBondContact O-N 3.22Å; S653-N655 WeakPolarHBondContact CB-OD1 3.44Å; S653-N655 PolarHBondContact O-N 3.09Å
654	G	24.4	Very low	26	Very low	73 Å²	73	136.5 Å²	136.5	75%	0.753	79%	0.789	S	S	*	*			trans	-64.5	70.9	163.5	0	0	0	0	0	110.4	V652 V656	V652-G654 PolarHBondContact O-N 2.68Å; V652-G654 VanDerWaalsContact O-N 3.08Å; G654-V656 VanDerWaalsContact C-N 3.27Å; G654-V656 PolarHBondContact O-N 2.98Å
655	N	25.2	Very low	25.9	Very low	130 Å²	130	137.3 Å²	137.3	70%	0.695	79%	0.785	S	S	*	*			trans	-71.1	84.3	179.3	-84.7	2.7	0	0	0	109.6	S653 S657	S653-N655 WeakPolarHBondContact CB-OD1 3.44Å; S653-N655 PolarHBondContact O-N 3.09Å; N655-S657 VanDerWaalsContact C-N 3.32Å; N655-S657 PolarHBondContact O-N 2.71Å
656	V	25.9	Very low	25.7	Very low	121 Å²	121	138.3 Å²	138.3	73%	0.733	79%	0.787	S	S	*	*			trans	-55.6	104.5	148.9	179.3	0	0	0	0	105.9	G654 L658	G654-V656 VanDerWaalsContact C-N 3.27Å; G654-V656 PolarHBondContact O-N 2.98Å; V656-L658 VanDerWaalsContact C-N 3.26Å; V656-L658 HydrophobicContact CG1-CG 4.36Å; V656-L658 PolarHBondContact O-N 2.7Å
657	S	24.4	Very low	25.6	Very low	83 Å²	83	139.2 Å²	139.2	58%	0.58	78%	0.782	S	S	*	*			trans	-77.6	80.7	-172.5	-161.5	0	0	0	0	109.9	N655 Y659	N655-S657 VanDerWaalsContact C-N 3.32Å; N655-S657 PolarHBondContact O-N 2.71Å; S657-Y659 PolarHBondContact O-N 3.32Å; S657-Y659 WeakPolarHBondContact OG-CD2 3.09Å; S657-Y659 WeakPolarHBondContact OG-CE2 3.41Å
658	L	25.6	Very low	25.5	Very low	120 Å²	120	142.3 Å²	142.3	63%	0.628	78%	0.784	S	S	*	*			trans	-69.1	75.5	173.1	-80.4	166.1	0	0	0	110.3	V656 L660	V656-L658 VanDerWaalsContact C-N 3.26Å; V656-L658 HydrophobicContact CG1-CG 4.36Å; V656-L658 PolarHBondContact O-N 2.7Å; L658-L660 PolarHBondContact O-N 3.37Å; L658-L660 VanDerWaalsContact O-N 3.12Å
659	Y	25.7	Very low	25.4	Very low	203 Å²	203	144.5 Å²	144.5	80%	0.796	79%	0.789	S	S	*	*			trans	-68.9	102.3	161	-90	-85.6	0	0	0	109	S657	S657-Y659 PolarHBondContact O-N 3.32Å; S657-Y659 WeakPolarHBondContact OG-CD2 3.09Å; S657-Y659 WeakPolarHBondContact OG-CE2 3.41Å
660	L	25	Very low	25.5	Very low	145 Å²	145	143.6 Å²	143.6	76%	0.759	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-58	132.4	160.4	-76.7	136.4	0	0	0	108.6	L658 Q662	L658-L660 PolarHBondContact O-N 3.37Å; L658-L660 VanDerWaalsContact O-N 3.12Å; L660-Q662 PolarHBondContact O-N 3.21Å
661	P	25.3	Very low	25.5	Very low	121 Å²	121	140.6 Å²	140.6	79%	0.786	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-66.6	119	165.4	28.4	-31.5	0	0	0	108.2
662	Q	26.6	Very low	25.7	Very low	190 Å²	190	137 Å²	137	89%	0.888	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-73.7	149.2	160.9	-68.1	-168	-77.9	0	0	109.3	L660	L660-Q662 PolarHBondContact O-N 3.21Å
663	I	28.8	Very low	25.7	Very low	243 Å²	243	137.1 Å²	137.1	100%	1.246	77%	0.765	S	S	*	*			trans	-75.5	0	174	-60	167.8	0	0	0	109

Retrieved 663 of 663 residues in 891.2 ms (Link to these results)

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