A0A077ZG60_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZG60, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 578 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	45.5	Very low	49.4	Very low	245 Å²	245	160.5 Å²	160.5	100%	1.207	80%	0.8	S	S	*	*				0	107.7	0	-77.4	168.4	163.8	0	0	105.6	E3	M1-E3 PolarHBondContact O-N 3.35Å
2	I	42.1	Very low	51.8	Low	170 Å²	170	156.8 Å²	156.8	87%	0.872	78%	0.776	S	S	*	*			trans	-87.6	106.7	-175	-61.2	169.4	0	0	0	106.3	K4	I2-K4 PolarHBondContact O-N 2.99Å
3	E	46	Very low	53.6	Low	181 Å²	181	144.9 Å²	144.9	85%	0.846	72%	0.717	S	S	*	*			trans	-67	115.7	167.9	-89.8	179.5	129.5	0	0	108.4	M1 K5	M1-E3 PolarHBondContact O-N 3.35Å; E3-K5 PolarHBondContact O-N 2.68Å
4	K	41.1	Very low	55.4	Low	207 Å²	207	140.8 Å²	140.8	90%	0.9	71%	0.706	S	S	*	*			trans	-69.8	109.8	164.3	-79.8	-179.7	171.9	-177.6	0	107.7	I2	I2-K4 PolarHBondContact O-N 2.99Å
5	K	46	Very low	56.9	Low	202 Å²	202	138.2 Å²	138.2	88%	0.878	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-86.2	128.3	162.6	-90.1	-177.5	174.8	177.2	0	109.2	E3	E3-K5 PolarHBondContact O-N 2.68Å
6	E	47.3	Very low	58.5	Low	179 Å²	179	132 Å²	132	84%	0.836	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-66.6	149.9	175.7	-71.6	175.2	138.7	0	0	111.6
7	P	47	Very low	59.8	Low	126 Å²	126	126.8 Å²	126.8	82%	0.818	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-66.9	133	177	27.6	-33	0	0	0	110.8	S9	P7-S9 PolarHBondContact O-N 2.82Å; P7-S9 VanDerWaalsContact O-N 3.11Å
8	I	49.4	Very low	61	Low	151 Å²	151	124.6 Å²	124.6	77%	0.774	64%	0.638	S	S	*	*			trans	-68.4	107.4	175.9	-60.8	169.1	0	0	0	107.8	L10	I8-L10 PolarHBondContact O-N 3.47Å
9	S	53.6	Low	62	Low	88 Å²	88	124.2 Å²	124.2	62%	0.615	63%	0.633	S	S	*	*			trans	-72.8	112.6	171.4	54.3	0	0	0	0	109.6	P7 Q11	P7-S9 PolarHBondContact O-N 2.82Å; P7-S9 VanDerWaalsContact O-N 3.11Å; S9-Q11 VanDerWaalsContact C-N 3.3Å; S9-Q11 PolarHBondContact O-N 2.97Å
10	L	58.8	Low	62.2	Low	75 Å²	75	119.7 Å²	119.7	39%	0.393	61%	0.613	S	S	.	*			trans	-69.3	92.5	164.3	-95.3	86.4	0	0	0	108.3	I8 K12 P14 L36	I8-L10 PolarHBondContact O-N 3.47Å; L10-K12 PolarHBondContact O-N 2.72Å; L10-P14 HydrophobicContact CD2-CG 4.35Å; L10-L36 HydrophobicContact CD1-CD1 3.4Å; L10-L36 VanDerWaalsContact CD1-CD1 3.4Å; L10-L36 HydrophobicContact CD1-CG 4.38Å
11	Q	66.3	Low	62.3	Low	141 Å²	141	118.7 Å²	118.7	66%	0.659	61%	0.612	S	S	*	*			trans	-67.1	-21.2	174.9	-66.2	-144.5	-25.5	0	0	112.6	S9 E19	S9-Q11 VanDerWaalsContact C-N 3.3Å; S9-Q11 PolarHBondContact O-N 2.97Å; Q11-E19 WeakPolarHBondContact O-CA 3.13Å; Q11-E19 WeakPolarHBondContact O-CB 3.42Å; Q11-E19 WeakPolarHBondContact O-CG 3.39Å
12	K	78.1	Confident	63.2	Low	117 Å²	117	116.5 Å²	116.5	51%	0.509	60%	0.599	S	S	.	*	S	Bend	trans	-136.1	140.1	-175.8	-71	176.2	-177.3	-179.7	0	111.2	L10 E19	L10-K12 PolarHBondContact O-N 2.72Å; K12-E19 WeakPolarHBondContact CE-OE1 3.17Å; K12-E19 HydrophobicContact CG-CG 3.73Å; K12-E19 IonicContact NZ-OE1 3.64Å
13	C	75.7	Confident	64.3	Low	2 Å²	2	112.3 Å²	112.3	1%	0.014	60%	0.597	C	S	.	*			trans	-59.5	125.7	169.8	174.1	0	0	0	0	109.6	N15 C16 G17 Y18 C27 L34	C13-N15 PolarHBondContact O-N 2.9Å; C13-C16 PolarHBondContact O-N 3.27Å; C13-C16 VanDerWaalsContact SG-SG 3.69Å; C13-G17 VanDerWaalsContact O-CA 3.32Å; C13-G17 WeakPolarHBondContact O-CA 3.48Å; C13-G17 PolarHBondContact O-N 3.29Å; C13-Y18 VanDerWaalsContact CB-O 3.26Å; C13-Y18 WeakPolarHBondContact CB-O 3.39Å; C13-Y18 PolarHBondContact N-O 2.75Å; C13-C27 HydrophobicContact CB-CB 4.21Å; C13-L34 HydrophobicContact CB-CD2 4.22Å
14	P	78.8	Confident	65.2	Low	87 Å²	87	106.2 Å²	106.2	57%	0.565	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-20.4	-176.6	26.5	-33.1	0	0	0	113	L10 F32	L10-P14 HydrophobicContact CD2-CG 4.35Å; P14-F32 HydrophobicContact CG-CD1 3.99Å; P14-F32 HydrophobicContact CG-CE1 3.41Å; P14-F32 VanDerWaalsContact CG-CE1 3.41Å; P14-F32 HydrophobicContact CG-CZ 3.91Å
15	N	78.4	Confident	66.8	Low	102 Å²	102	100 Å²	100	55%	0.545	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-32.2	-179.3	-167.9	36.2	0	0	0	113.7	C13 F32	C13-N15 PolarHBondContact O-N 2.9Å; N15-F32 HydrophobicContact CB-CB 3.88Å; N15-F32 HydrophobicContact CB-CD1 4.48Å; N15-F32 HydrophobicContact CB-CD2 3.66Å; N15-F32 HydrophobicContact CB-CE2 4.33Å; N15-F32 HydrophobicContact CB-CG 3.74Å
16	C	82.4	Confident	68.3	Low	39 Å²	39	93.5 Å²	93.5	26%	0.264	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	4.3	-172.2	72.7	0	0	0	0	115.6	C13 Y18 C30	C13-C16 PolarHBondContact O-N 3.27Å; C13-C16 VanDerWaalsContact SG-SG 3.69Å; C16-Y18 PolarHBondContact O-N 3.36Å; C16-Y18 VanDerWaalsContact O-N 3.15Å; C16-Y18 WeakPolarHBondContact SG-CB 3.34Å; C16-C30 HydrophobicContact CB-CB 3.85Å; C16-C30 PolarHBondContact SG-SG 3.14Å
17	G	79.9	Confident	69.8	Low	44 Å²	44	85 Å²	85	45%	0.454	49%	0.491	S	S	.	.			trans	69	5.2	179.4	0	0	0	0	0	115.3	C13	C13-G17 VanDerWaalsContact O-CA 3.32Å; C13-G17 WeakPolarHBondContact O-CA 3.48Å; C13-G17 PolarHBondContact O-N 3.29Å
18	Y	81.2	Confident	71.2	Confident	87 Å²	87	83 Å²	83	34%	0.341	48%	0.478	S	S	.	.			trans	-71.4	131.7	179.6	-175.6	-98.3	0	0	0	111.5	C13 C16 P20 P28 K29	C13-Y18 VanDerWaalsContact CB-O 3.26Å; C13-Y18 WeakPolarHBondContact CB-O 3.39Å; C13-Y18 PolarHBondContact N-O 2.75Å; C16-Y18 PolarHBondContact O-N 3.36Å; C16-Y18 VanDerWaalsContact O-N 3.15Å; C16-Y18 WeakPolarHBondContact SG-CB 3.34Å; Y18-P20 VanDerWaalsContact O-CD 3.24Å; Y18-P20 WeakPolarHBondContact O-CD 3.32Å; Y18-P28 HydrophobicContact CD1-CG 4.01Å; Y18-P28 HydrophobicContact CE1-CG 3.36Å; Y18-K29 HydrophobicContact CD1-CB 4.24Å; Y18-K29 HydrophobicContact CD2-CB 3.85Å; Y18-K29 HydrophobicContact CD2-CD 3.73Å; Y18-K29 HydrophobicContact CD2-CG 4.29Å; Y18-K29 HydrophobicContact CE2-CB 4.46Å; Y18-K29 HydrophobicContact CG-CB 3.69Å; Y18-K29 HydrophobicContact CG-CD 4.04Å; Y18-K29 HydrophobicContact CG-CG 4.48Å
19	E	80.6	Confident	72.6	Confident	116 Å²	116	82.5 Å²	82.5	54%	0.542	47%	0.47	S	S	.	.			trans	-78.8	106.6	175.9	-62.2	-175.7	171.1	0	0	109.2	Q11 K12	Q11-E19 WeakPolarHBondContact O-CA 3.13Å; Q11-E19 WeakPolarHBondContact O-CB 3.42Å; Q11-E19 WeakPolarHBondContact O-CG 3.39Å; K12-E19 WeakPolarHBondContact CE-OE1 3.17Å; K12-E19 HydrophobicContact CG-CG 3.73Å; K12-E19 IonicContact NZ-OE1 3.64Å
20	P	65.4	Low	73.9	Confident	34 Å²	34	80.6 Å²	80.6	22%	0.221	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-75.4	145.7	-177.4	23.3	-15.2	0	0	0	111.1	Y18 L34	Y18-P20 VanDerWaalsContact O-CD 3.24Å; Y18-P20 WeakPolarHBondContact O-CD 3.32Å; P20-L34 HydrophobicContact CB-CD1 3.43Å; P20-L34 VanDerWaalsContact CB-CD1 3.43Å; P20-L34 HydrophobicContact CG-CD1 3.56Å
21	V	64.6	Low	74.8	Confident	100 Å²	100	79.6 Å²	79.6	61%	0.606	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-72.1	138.8	172.5	-168.6	0	0	0	0	108.6	G23 C24	V21-G23 PolarHBondContact O-N 3.05Å; V21-C24 PolarHBondContact O-N 2.94Å
22	E	63.9	Low	75.4	Confident	199 Å²	199	77 Å²	77	93%	0.93	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	127.1	177.9	-73.7	-177.5	164.5	0	0	111.2
23	G	66.4	Low	75.6	Confident	81 Å²	81	74.4 Å²	74.4	84%	0.835	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.1	-1.4	178.2	0	0	0	0	0	116.6	V21	V21-G23 PolarHBondContact O-N 3.05Å
24	C	65.1	Low	75.4	Confident	54 Å²	54	76 Å²	76	37%	0.365	46%	0.456	S	S	.	.			trans	-83	118.9	173.7	-64	0	0	0	0	111.7	V21 T26	V21-C24 PolarHBondContact O-N 2.94Å; C24-T26 VanDerWaalsContact C-N 3.27Å; C24-T26 PolarHBondContact O-N 2.69Å
25	T	74.5	Confident	74.8	Confident	75 Å²	75	77.8 Å²	77.8	46%	0.46	46%	0.457	S	S	.	.	S	Bend	trans	-77.6	-13.3	174.3	56.4	0	0	0	0	113.2	L34 Q35	T25-L34 PolarHBondContact O-N 2.98Å; T25-Q35 HydrophobicContact CG2-CG 4.07Å; T25-Q35 VanDerWaalsContact CG2-NE2 3.33Å
26	T	76.8	Confident	73.7	Confident	66 Å²	66	78.6 Å²	78.6	41%	0.405	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-135.7	138.4	-179.4	-55.4	0	0	0	0	109.1	C24 P28 G31 F32	C24-T26 VanDerWaalsContact C-N 3.27Å; C24-T26 PolarHBondContact O-N 2.69Å; T26-P28 WeakPolarHBondContact O-CD 3.47Å; T26-G31 VanDerWaalsContact CG2-C 3.45Å; T26-G31 VanDerWaalsContact CG2-O 3.3Å; T26-G31 WeakPolarHBondContact CG2-O 3.38Å; T26-F32 CarbonylContact C-O 3.45Å; T26-F32 WeakPolarHBondContact CA-O 3.44Å
27	C	79	Confident	71.8	Confident	1 Å²	1	83.5 Å²	83.5	1%	0.007	48%	0.484	C	S	.	.			trans	-65	118.4	177.4	178.5	0	0	0	0	110	C13 K29 C30 G31 F32 L34	C13-C27 HydrophobicContact CB-CB 4.21Å; C27-K29 PolarHBondContact O-N 3.07Å; C27-K29 VanDerWaalsContact O-N 3.14Å; C27-C30 PolarHBondContact O-N 2.95Å; C27-G31 WeakPolarHBondContact O-CA 3.34Å; C27-G31 PolarHBondContact O-N 2.69Å; C27-F32 HydrophobicContact CB-CB 4.14Å; C27-F32 WeakPolarHBondContact CB-O 3.45Å; C27-F32 PolarHBondContact N-O 2.8Å; C27-L34 HydrophobicContact CB-CD1 4.15Å; C27-L34 HydrophobicContact CB-CD2 4.41Å; C27-L34 HydrophobicContact CB-CG 4.25Å
28	P	76.9	Confident	69.9	Low	83 Å²	83	89 Å²	89	54%	0.539	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.8	-176.2	28	-34.8	0	0	0	113.4	Y18 T26	Y18-P28 HydrophobicContact CD1-CG 4.01Å; Y18-P28 HydrophobicContact CE1-CG 3.36Å; T26-P28 WeakPolarHBondContact O-CD 3.47Å
29	K	77.5	Confident	67.7	Low	141 Å²	141	92.7 Å²	92.7	61%	0.613	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-33.7	177.4	-168.9	-176.6	-178.8	-171.9	0	113.6	Y18 C27	Y18-K29 HydrophobicContact CD1-CB 4.24Å; Y18-K29 HydrophobicContact CD2-CB 3.85Å; Y18-K29 HydrophobicContact CD2-CD 3.73Å; Y18-K29 HydrophobicContact CD2-CG 4.29Å; Y18-K29 HydrophobicContact CE2-CB 4.46Å; Y18-K29 HydrophobicContact CG-CB 3.69Å; Y18-K29 HydrophobicContact CG-CD 4.04Å; Y18-K29 HydrophobicContact CG-CG 4.48Å; C27-K29 PolarHBondContact O-N 3.07Å; C27-K29 VanDerWaalsContact O-N 3.14Å
30	C	82.2	Confident	65.5	Low	48 Å²	48	96.2 Å²	96.2	32%	0.324	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	0.8	-171.6	70.8	0	0	0	0	115.2	C16 C27 F32	C16-C30 HydrophobicContact CB-CB 3.85Å; C16-C30 PolarHBondContact SG-SG 3.14Å; C27-C30 PolarHBondContact O-N 2.95Å; C30-F32 PolarHBondContact O-N 2.81Å; C30-F32 WeakPolarHBondContact SG-CB 3.34Å
31	G	77	Confident	64	Low	54 Å²	54	100.2 Å²	100.2	56%	0.557	56%	0.56	S	S	*	*			trans	73.2	6.4	-179.8	0	0	0	0	0	114.8	T26 C27	T26-G31 VanDerWaalsContact CG2-C 3.45Å; T26-G31 VanDerWaalsContact CG2-O 3.3Å; T26-G31 WeakPolarHBondContact CG2-O 3.38Å; C27-G31 WeakPolarHBondContact O-CA 3.34Å; C27-G31 PolarHBondContact O-N 2.69Å
32	F	80.1	Confident	62.4	Low	86 Å²	86	101.5 Å²	101.5	38%	0.377	57%	0.568	S	S	.	*			trans	-70	129.9	179.5	-173.4	-94.4	0	0	0	111.5	P14 N15 T26 C27 C30 L34	P14-F32 HydrophobicContact CG-CD1 3.99Å; P14-F32 HydrophobicContact CG-CE1 3.41Å; P14-F32 VanDerWaalsContact CG-CE1 3.41Å; P14-F32 HydrophobicContact CG-CZ 3.91Å; N15-F32 HydrophobicContact CB-CB 3.88Å; N15-F32 HydrophobicContact CB-CD1 4.48Å; N15-F32 HydrophobicContact CB-CD2 3.66Å; N15-F32 HydrophobicContact CB-CE2 4.33Å; N15-F32 HydrophobicContact CB-CG 3.74Å; T26-F32 CarbonylContact C-O 3.45Å; T26-F32 WeakPolarHBondContact CA-O 3.44Å; C27-F32 HydrophobicContact CB-CB 4.14Å; C27-F32 WeakPolarHBondContact CB-O 3.45Å; C27-F32 PolarHBondContact N-O 2.8Å; C30-F32 PolarHBondContact O-N 2.81Å; C30-F32 WeakPolarHBondContact SG-CB 3.34Å; F32-L34 HydrophobicContact CD1-CD2 4.25Å; F32-L34 PolarHBondContact O-N 2.79Å
33	S	80.8	Confident	61.1	Low	64 Å²	64	99.9 Å²	99.9	45%	0.448	56%	0.558	S	S	.	*	B	Isolated β-bridge	trans	-65.9	124.7	176.9	-172.7	0	0	0	0	111
34	L	71.6	Confident	59.5	Low	35 Å²	35	105.7 Å²	105.7	18%	0.183	56%	0.563	C	S	.	*			trans	-98.4	5.3	-179.4	-64.1	172.1	0	0	0	112.5	C13 P20 T25 C27 F32 L36	C13-L34 HydrophobicContact CB-CD2 4.22Å; P20-L34 HydrophobicContact CB-CD1 3.43Å; P20-L34 VanDerWaalsContact CB-CD1 3.43Å; P20-L34 HydrophobicContact CG-CD1 3.56Å; T25-L34 PolarHBondContact O-N 2.98Å; C27-L34 HydrophobicContact CB-CD1 4.15Å; C27-L34 HydrophobicContact CB-CD2 4.41Å; C27-L34 HydrophobicContact CB-CG 4.25Å; F32-L34 HydrophobicContact CD1-CD2 4.25Å; F32-L34 PolarHBondContact O-N 2.79Å; L34-L36 PolarHBondContact O-N 3.31Å
35	Q	67.9	Low	58.2	Low	124 Å²	124	110.4 Å²	110.4	58%	0.579	58%	0.583	S	S	*	*			trans	-75.2	103.7	175	-68	-178.1	-34.8	0	0	109.5	T25	T25-Q35 HydrophobicContact CG2-CG 4.07Å; T25-Q35 VanDerWaalsContact CG2-NE2 3.33Å
36	L	54.3	Low	56.3	Low	119 Å²	119	112.5 Å²	112.5	62%	0.623	59%	0.592	S	S	*	*			trans	-79.3	113.8	159.2	-70.7	177.5	0	0	0	107.3	L10 L34 D38	L10-L36 HydrophobicContact CD1-CD1 3.4Å; L10-L36 VanDerWaalsContact CD1-CD1 3.4Å; L10-L36 HydrophobicContact CD1-CG 4.38Å; L34-L36 PolarHBondContact O-N 3.31Å; L36-D38 PolarHBondContact O-N 3.03Å; L36-D38 VanDerWaalsContact O-N 3.15Å
37	N	43.5	Very low	54.6	Low	143 Å²	143	114.9 Å²	114.9	77%	0.765	60%	0.602	S	S	*	*			trans	-70.7	107.2	167.2	-102.1	16.7	0	0	0	108.4	Q39	N37-Q39 VanDerWaalsContact C-N 3.29Å; N37-Q39 PolarHBondContact O-N 2.79Å
38	D	38.2	Very low	52.8	Low	159 Å²	159	123.2 Å²	123.2	85%	0.85	64%	0.638	S	S	*	*			trans	-66.8	88	162.6	-71.8	-35.6	0	0	0	108.8	L36	L36-D38 PolarHBondContact O-N 3.03Å; L36-D38 VanDerWaalsContact O-N 3.15Å
39	Q	36.7	Very low	51.3	Low	164 Å²	164	125.7 Å²	125.7	77%	0.766	65%	0.647	S	S	*	*			trans	-124.8	87.4	159.3	-95.7	-169.9	-36	0	0	109.6	N37 N41	N37-Q39 VanDerWaalsContact C-N 3.29Å; N37-Q39 PolarHBondContact O-N 2.79Å; Q39-N41 VanDerWaalsContact C-N 3.26Å; Q39-N41 PolarHBondContact O-N 3Å
40	E	33.8	Very low	49.3	Very low	190 Å²	190	125 Å²	125	89%	0.888	65%	0.65	S	S	*	*			trans	-60.1	94.1	148	-86	-173.5	130	0	0	108.1
41	N	34.3	Very low	47.5	Very low	118 Å²	118	128.7 Å²	128.7	63%	0.631	67%	0.671	S	S	*	*			trans	-122.5	80	154.5	-155.4	4.5	0	0	0	108.3	Q39 K43	Q39-N41 VanDerWaalsContact C-N 3.26Å; Q39-N41 PolarHBondContact O-N 3Å; N41-K43 PolarHBondContact O-N 3.47Å
42	T	31.2	Very low	46.2	Very low	128 Å²	128	130.7 Å²	130.7	79%	0.785	67%	0.668	S	S	*	*			trans	-69.9	81.7	171.7	-38.7	0	0	0	0	109
43	K	35.4	Very low	44.9	Very low	164 Å²	164	131.9 Å²	131.9	71%	0.713	68%	0.675	S	S	*	*	S	Bend	trans	-140.1	99	159.5	-76.9	-173.5	-178.2	174	0	107.7	N41 I45	N41-K43 PolarHBondContact O-N 3.47Å; K43-I45 VanDerWaalsContact C-N 3.34Å; K43-I45 WeakPolarHBondContact O-CG1 3.39Å; K43-I45 PolarHBondContact O-N 3.19Å
44	E	33.7	Very low	43.7	Very low	204 Å²	204	139.6 Å²	139.6	95%	0.953	69%	0.694	S	S	*	*			trans	23.3	63.8	157.4	-63.9	-175.7	171.7	0	0	115.9	N46	E44-N46 VanDerWaalsContact C-N 3.28Å; E44-N46 PolarHBondContact O-N 2.74Å
45	I	37.3	Very low	43.1	Very low	152 Å²	152	141 Å²	141	78%	0.779	71%	0.707	S	S	*	*			trans	-88.1	87.2	161.9	-53.2	-180	0	0	0	104.4	K43 D47	K43-I45 VanDerWaalsContact C-N 3.34Å; K43-I45 WeakPolarHBondContact O-CG1 3.39Å; K43-I45 PolarHBondContact O-N 3.19Å; I45-D47 PolarHBondContact O-N 3.02Å
46	N	34.8	Very low	42.7	Very low	119 Å²	119	140.5 Å²	140.5	64%	0.636	71%	0.708	S	S	*	*			trans	-58.5	108.2	163.5	-165.8	8.1	0	0	0	105.7	E44 K48	E44-N46 VanDerWaalsContact C-N 3.28Å; E44-N46 PolarHBondContact O-N 2.74Å; N46-K48 HydrophobicContact CB-CG 4.25Å; N46-K48 PolarHBondContact O-N 3.3Å
47	D	39.9	Very low	42.9	Very low	117 Å²	117	138.9 Å²	138.9	63%	0.626	70%	0.7	S	S	*	*			trans	-65.6	81.2	177.8	-141.6	-10.7	0	0	0	107.5	I45 N49	I45-D47 PolarHBondContact O-N 3.02Å; D47-N49 PolarHBondContact O-N 2.87Å
48	K	42.2	Very low	43.8	Very low	175 Å²	175	135.9 Å²	135.9	76%	0.761	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	19.5	-176	-76.5	-173.4	178.7	179.2	0	112.7	N46	N46-K48 HydrophobicContact CB-CG 4.25Å; N46-K48 PolarHBondContact O-N 3.3Å
49	N	45.4	Very low	45	Very low	136 Å²	136	135.2 Å²	135.2	73%	0.727	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-2.2	179	-156.8	29.6	0	0	0	114.1	D47	D47-N49 PolarHBondContact O-N 2.87Å
50	D	36	Very low	46.3	Very low	125 Å²	125	130.2 Å²	130.2	67%	0.668	67%	0.669	S	S	*	*	S	Bend	trans	-123.9	125	174	-71.6	-33.4	0	0	0	110
51	T	42.8	Very low	48.3	Very low	127 Å²	127	125.3 Å²	125.3	78%	0.779	65%	0.654	S	S	*	*			trans	88.5	55.9	-174	-29.9	0	0	0	0	115.2	E53	T51-E53 VanDerWaalsContact C-N 3.3Å; T51-E53 HydrophobicContact CG2-CG 4.2Å; T51-E53 PolarHBondContact O-N 3.27Å
52	I	51.2	Low	50	Low	96 Å²	96	123.6 Å²	123.6	49%	0.492	64%	0.644	S	S	.	*			trans	-72.4	97.8	142.5	-59.7	178.2	0	0	0	105.4	W54 L57	I52-W54 PolarHBondContact O-N 2.9Å; I52-L57 HydrophobicContact CG2-CD1 3.79Å; I52-L57 HydrophobicContact CG2-CD2 4.34Å
53	E	51.9	Low	52	Low	111 Å²	111	125.2 Å²	125.2	52%	0.519	64%	0.642	S	S	.	*			trans	-64.1	104	159.5	-95.4	-140.6	-180	0	0	106.7	T51 S55 D56	T51-E53 VanDerWaalsContact C-N 3.3Å; T51-E53 HydrophobicContact CG2-CG 4.2Å; T51-E53 PolarHBondContact O-N 3.27Å; E53-S55 PolarHBondContact O-N 2.92Å; E53-S55 PolarHBondContact OE2-OG 3.15Å; E53-D56 PolarHBondContact O-N 3.47Å
54	W	55.3	Low	53.8	Low	225 Å²	225	120 Å²	120	85%	0.852	63%	0.626	S	S	*	*	H	α-helix	trans	-58.3	-14.5	-178.8	-68.4	71.2	0	0	0	112.6	I52	I52-W54 PolarHBondContact O-N 2.9Å
55	S	59.9	Low	55.6	Low	65 Å²	65	112 Å²	112	46%	0.455	59%	0.591	S	S	.	*	H	α-helix	trans	-58.1	-42.5	169.1	2.8	0	0	0	0	113	E53	E53-S55 PolarHBondContact O-N 2.92Å; E53-S55 PolarHBondContact OE2-OG 3.15Å
56	D	58.2	Low	57.4	Low	113 Å²	113	110.4 Å²	110.4	60%	0.604	58%	0.581	S	S	*	*	H	α-helix	trans	-84.7	-16.6	-170.1	-70.5	-18.4	0	0	0	113.2	E53	E53-D56 PolarHBondContact O-N 3.47Å
57	L	60.2	Low	59.5	Low	86 Å²	86	111.2 Å²	111.2	45%	0.45	58%	0.578	S	S	.	*	H	α-helix	trans	-87.8	-15.6	175.7	-93.5	76.6	0	0	0	113.5	I52 D59	I52-L57 HydrophobicContact CG2-CD1 3.79Å; I52-L57 HydrophobicContact CG2-CD2 4.34Å; L57-D59 VanDerWaalsContact C-N 3.27Å; L57-D59 PolarHBondContact O-N 2.82Å
58	A	61.1	Low	61.2	Low	80 Å²	80	111.4 Å²	111.4	66%	0.661	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-26.9	178.5	0	0	0	0	0	112.5
59	D	63.6	Low	62.8	Low	145 Å²	145	109.9 Å²	109.9	78%	0.775	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	1.7	-176.5	-68.7	-30.4	0	0	0	113.7	L57	L57-D59 VanDerWaalsContact C-N 3.27Å; L57-D59 PolarHBondContact O-N 2.82Å
60	M	65	Low	64.3	Low	58 Å²	58	110.3 Å²	110.3	29%	0.286	57%	0.566	S	S	.	*	S	Bend	trans	-88.5	130.6	178.4	-79.9	-175.4	64.2	0	0	111.9	V65 M68	M60-V65 HydrophobicContact CB-CG2 4.05Å; M60-M68 HydrophobicContact CE-CE 4.09Å; M60-M68 HydrophobicContact CE-SD 4.29Å
61	P	74.3	Confident	66.2	Low	88 Å²	88	108.6 Å²	108.6	57%	0.571	56%	0.557	S	S	*	*			trans	-61.5	140.9	172.7	20.8	-27.3	0	0	0	110.8	E63 S64 V65	P61-E63 PolarHBondContact O-N 3.12Å; P61-S64 WeakPolarHBondContact O-CA 3.43Å; P61-S64 VanDerWaalsContact O-CB 3.24Å; P61-S64 WeakPolarHBondContact O-CB 3.38Å; P61-S64 PolarHBondContact O-N 2.83Å; P61-V65 PolarHBondContact O-N 2.79Å
62	I	71.3	Confident	67.8	Low	82 Å²	82	106.8 Å²	106.8	42%	0.421	54%	0.542	S	S	.	.	H	α-helix	trans	-50.1	-35.5	-175.4	-68.4	150.6	0	0	0	112.7	S64 V65 Q66 E464	I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 3.27Å; I62-V65 PolarHBondContact O-N 2.94Å; I62-Q66 PolarHBondContact O-N 3.37Å; I62-E464 WeakPolarHBondContact CD1-OE1 3.47Å
63	E	71.8	Confident	68.8	Low	161 Å²	161	107.1 Å²	107.1	75%	0.752	54%	0.542	S	S	*	.	H	α-helix	trans	-63.1	-35.3	178.9	-153.6	172.9	-163.9	0	0	112.7	P61 K67	P61-E63 PolarHBondContact O-N 3.12Å; E63-K67 WeakPolarHBondContact O-CB 3.18Å; E63-K67 PolarHBondContact O-N 3.14Å; E63-K67 VanDerWaalsContact O-N 3.12Å
64	S	74.9	Confident	69.8	Low	54 Å²	54	106 Å²	106	38%	0.378	54%	0.54	S	S	.	.	H	α-helix	trans	-72.5	-35.7	176.6	-122.7	0	0	0	0	111.7	P61 I62 M68	P61-S64 WeakPolarHBondContact O-CA 3.43Å; P61-S64 VanDerWaalsContact O-CB 3.24Å; P61-S64 WeakPolarHBondContact O-CB 3.38Å; P61-S64 PolarHBondContact O-N 2.83Å; I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 3.27Å; S64-M68 PolarHBondContact O-N 2.64Å; S64-M68 VanDerWaalsContact O-N 3.13Å
65	V	71.2	Confident	70.5	Confident	36 Å²	36	101.5 Å²	101.5	22%	0.218	53%	0.526	C	S	.	.	H	α-helix	trans	-70.5	-45.6	176.2	177.4	0	0	0	0	110.7	M60 P61 I62 K67 M68 F69	M60-V65 HydrophobicContact CB-CG2 4.05Å; P61-V65 PolarHBondContact O-N 2.79Å; I62-V65 PolarHBondContact O-N 2.94Å; V65-K67 VanDerWaalsContact C-N 3.28Å; V65-K67 PolarHBondContact O-N 3.04Å; V65-M68 PolarHBondContact O-N 3.37Å; V65-F69 HydrophobicContact CG1-CD2 3.79Å; V65-F69 HydrophobicContact CG1-CE2 3.44Å; V65-F69 VanDerWaalsContact CG1-CE2 3.44Å; V65-F69 WeakPolarHBondContact O-CD2 3.37Å; V65-F69 PolarHBondContact O-N 2.91Å
66	Q	75.2	Confident	70.7	Confident	120 Å²	120	104.4 Å²	104.4	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-59.2	-38	173.9	-95.9	-177.4	-15.6	0	0	112.6	I62 F69 K70	I62-Q66 PolarHBondContact O-N 3.37Å; Q66-F69 PolarHBondContact O-N 2.9Å; Q66-K70 PolarHBondContact O-N 3.44Å
67	K	78.4	Confident	71.1	Confident	135 Å²	135	104.7 Å²	104.7	59%	0.587	53%	0.53	S	S	*	.	H	α-helix	trans	-66.7	-41.5	177.2	-161.3	173.6	-176.4	-179	0	112	E63 V65 F69 K70 D71	E63-K67 WeakPolarHBondContact O-CB 3.18Å; E63-K67 PolarHBondContact O-N 3.14Å; E63-K67 VanDerWaalsContact O-N 3.12Å; V65-K67 VanDerWaalsContact C-N 3.28Å; V65-K67 PolarHBondContact O-N 3.04Å; K67-F69 VanDerWaalsContact C-N 3.33Å; K67-F69 PolarHBondContact O-N 3.19Å; K67-K70 PolarHBondContact O-N 2.81Å; K67-D71 WeakPolarHBondContact O-CB 3.46Å; K67-D71 PolarHBondContact O-N 3.37Å
68	M	75.7	Confident	71	Confident	121 Å²	121	106 Å²	106	60%	0.596	53%	0.534	S	S	*	.	H	α-helix	trans	-59.9	-41.1	172.3	-81.6	-169.2	174.1	0	0	112.4	M60 S64 V65 N72	M60-M68 HydrophobicContact CE-CE 4.09Å; M60-M68 HydrophobicContact CE-SD 4.29Å; S64-M68 PolarHBondContact O-N 2.64Å; S64-M68 VanDerWaalsContact O-N 3.13Å; V65-M68 PolarHBondContact O-N 3.37Å; M68-N72 WeakPolarHBondContact O-CB 3.37Å; M68-N72 PolarHBondContact O-N 2.84Å
69	F	76	Confident	70.6	Confident	143 Å²	143	108.8 Å²	108.8	63%	0.627	53%	0.533	S	S	*	.	H	α-helix	trans	-66.2	-41.8	176.7	-77.5	-67.1	0	0	0	112.6	V65 Q66 K67 N72 E73	V65-F69 HydrophobicContact CG1-CD2 3.79Å; V65-F69 HydrophobicContact CG1-CE2 3.44Å; V65-F69 VanDerWaalsContact CG1-CE2 3.44Å; V65-F69 WeakPolarHBondContact O-CD2 3.37Å; V65-F69 PolarHBondContact O-N 2.91Å; Q66-F69 PolarHBondContact O-N 2.9Å; K67-F69 VanDerWaalsContact C-N 3.33Å; K67-F69 PolarHBondContact O-N 3.19Å; F69-N72 PolarHBondContact O-N 2.61Å; F69-E73 WeakPolarHBondContact O-CB 3.39Å; F69-E73 PolarHBondContact O-N 2.98Å
70	K	76.4	Confident	69.9	Low	145 Å²	145	108.2 Å²	108.2	63%	0.63	53%	0.53	S	S	*	.	H	α-helix	trans	-64	-46.6	175.2	-114.3	173.5	-179.8	171.1	0	112.3	Q66 K67 N72 E73 D74	Q66-K70 PolarHBondContact O-N 3.44Å; K67-K70 PolarHBondContact O-N 2.81Å; K70-N72 PolarHBondContact O-N 3.18Å; K70-E73 PolarHBondContact O-N 3.3Å; K70-D74 WeakPolarHBondContact O-CB 3.24Å; K70-D74 PolarHBondContact O-N 3.01Å
71	D	76.5	Confident	69.2	Low	90 Å²	90	110.4 Å²	110.4	48%	0.481	55%	0.551	S	S	.	*	H	α-helix	trans	-61.6	-32.3	178.4	-68.6	-12.5	0	0	0	111.5	K67 K75	K67-D71 WeakPolarHBondContact O-CB 3.46Å; K67-D71 PolarHBondContact O-N 3.37Å; D71-K75 WeakPolarHBondContact O-CB 3.37Å; D71-K75 WeakPolarHBondContact O-CG 3.49Å; D71-K75 PolarHBondContact O-N 2.99Å; D71-K75 VanDerWaalsContact O-N 3.11Å
72	N	74.8	Confident	67.9	Low	88 Å²	88	114 Å²	114	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-77.7	-38.7	176.9	-146.9	30.6	0	0	0	112.3	M68 F69 K70 K75 M76	M68-N72 WeakPolarHBondContact O-CB 3.37Å; M68-N72 PolarHBondContact O-N 2.84Å; F69-N72 PolarHBondContact O-N 2.61Å; K70-N72 PolarHBondContact O-N 3.18Å; N72-K75 PolarHBondContact O-N 2.98Å; N72-M76 WeakPolarHBondContact O-CG 3.29Å; N72-M76 PolarHBondContact O-N 3.32Å
73	E	73.6	Confident	66.4	Low	104 Å²	104	118.3 Å²	118.3	49%	0.486	58%	0.576	S	S	.	*	H	α-helix	trans	-66.2	-40.8	174.7	-162.6	-172.9	156.6	0	0	111.6	F69 K70 M76 K77	F69-E73 WeakPolarHBondContact O-CB 3.39Å; F69-E73 PolarHBondContact O-N 2.98Å; K70-E73 PolarHBondContact O-N 3.3Å; E73-M76 PolarHBondContact O-N 3.26Å; E73-K77 WeakPolarHBondContact O-CG 3.41Å; E73-K77 PolarHBondContact O-N 3.09Å; E73-K77 WeakPolarHBondContact OE1-CE 3.43Å; E73-K77 IonicContact OE1-NZ 2.68Å; E73-K77 PolarHBondContact OE1-NZ 3.48Å
74	D	73.1	Confident	64.8	Low	88 Å²	88	115.9 Å²	115.9	47%	0.471	58%	0.576	S	S	.	*	H	α-helix	trans	-67.7	-37.7	176.2	-71.4	-27.2	0	0	0	111.4	K70 K77 E78	K70-D74 WeakPolarHBondContact O-CB 3.24Å; K70-D74 PolarHBondContact O-N 3.01Å; D74-K77 PolarHBondContact O-N 2.86Å; D74-E78 PolarHBondContact O-N 3.28Å
75	K	69.4	Low	63.1	Low	130 Å²	130	119.7 Å²	119.7	57%	0.565	60%	0.597	S	S	*	*	H	α-helix	trans	-63.1	-44.5	171.7	-91.3	-174.3	171.5	-169.4	0	113	D71 N72 K77 E78 E79	D71-K75 WeakPolarHBondContact O-CB 3.37Å; D71-K75 WeakPolarHBondContact O-CG 3.49Å; D71-K75 PolarHBondContact O-N 2.99Å; D71-K75 VanDerWaalsContact O-N 3.11Å; N72-K75 PolarHBondContact O-N 2.98Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 2.79Å; K75-E78 PolarHBondContact O-N 3.35Å; K75-E79 WeakPolarHBondContact O-CB 3.41Å; K75-E79 WeakPolarHBondContact O-CG 3.48Å; K75-E79 PolarHBondContact O-N 3.42Å
76	M	63.7	Low	61.2	Low	126 Å²	126	126.4 Å²	126.4	62%	0.621	63%	0.626	S	S	*	*	H	α-helix	trans	-65.2	-34.3	176.8	-71.5	-162.1	-160.5	0	0	112.1	N72 E73 N80	N72-M76 WeakPolarHBondContact O-CG 3.29Å; N72-M76 PolarHBondContact O-N 3.32Å; E73-M76 PolarHBondContact O-N 3.26Å; M76-N80 WeakPolarHBondContact O-CB 3.5Å; M76-N80 PolarHBondContact O-N 3.2Å; M76-N80 VanDerWaalsContact O-N 3.08Å
77	K	66.9	Low	59.4	Low	118 Å²	118	129.8 Å²	129.8	51%	0.513	64%	0.642	S	S	.	*	H	α-helix	trans	-72.1	-36.6	174.6	-73.8	174.1	-172.9	163.8	0	112.7	E73 D74 K75 S81	E73-K77 WeakPolarHBondContact O-CG 3.41Å; E73-K77 PolarHBondContact O-N 3.09Å; E73-K77 WeakPolarHBondContact OE1-CE 3.43Å; E73-K77 IonicContact OE1-NZ 2.68Å; E73-K77 PolarHBondContact OE1-NZ 3.48Å; D74-K77 PolarHBondContact O-N 2.86Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 2.79Å; K77-S81 WeakPolarHBondContact O-CB 3.44Å; K77-S81 PolarHBondContact O-N 2.83Å
78	E	58.1	Low	57.5	Low	115 Å²	115	129.8 Å²	129.8	54%	0.537	65%	0.654	S	S	.	*	H	α-helix	trans	-69.8	-38.3	175.2	-95.6	-153.1	110.4	0	0	113	D74 K75 S81 K82	D74-E78 PolarHBondContact O-N 3.28Å; K75-E78 PolarHBondContact O-N 3.35Å; E78-S81 PolarHBondContact O-N 3Å; E78-K82 PolarHBondContact O-N 2.89Å; E78-K82 IonicContact OE1-NZ 3.97Å; E78-K82 PolarHBondContact OE1-NZ 2.82Å
79	E	52.3	Low	56	Low	138 Å²	138	130 Å²	130	65%	0.645	66%	0.664	S	S	*	*	H	α-helix	trans	-71	-39.7	177.2	-74.5	-179.4	168.7	0	0	111.2	K75 S81 K82	K75-E79 WeakPolarHBondContact O-CB 3.41Å; K75-E79 WeakPolarHBondContact O-CG 3.48Å; K75-E79 PolarHBondContact O-N 3.42Å; E79-S81 VanDerWaalsContact C-N 3.25Å; E79-S81 PolarHBondContact O-N 2.92Å; E79-K82 PolarHBondContact O-N 3.48Å
80	N	48.7	Very low	54.6	Low	133 Å²	133	132.2 Å²	132.2	71%	0.711	68%	0.676	S	S	*	*	H	α-helix	trans	-74	-12.9	177.8	-152.1	17.3	0	0	0	113.8	M76	M76-N80 WeakPolarHBondContact O-CB 3.5Å; M76-N80 PolarHBondContact O-N 3.2Å; M76-N80 VanDerWaalsContact O-N 3.08Å
81	S	50.1	Low	53.3	Low	103 Å²	103	133 Å²	133	72%	0.72	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-4.9	176	-172.5	0	0	0	0	113.8	K77 E78 E79	K77-S81 WeakPolarHBondContact O-CB 3.44Å; K77-S81 PolarHBondContact O-N 2.83Å; E78-S81 PolarHBondContact O-N 3Å; E79-S81 VanDerWaalsContact C-N 3.25Å; E79-S81 PolarHBondContact O-N 2.92Å
82	K	48.2	Very low	51.9	Low	165 Å²	165	133.1 Å²	133.1	72%	0.717	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	-2.9	179.5	-80.7	169.8	-178.3	153.9	0	114.1	E78 E79	E78-K82 PolarHBondContact O-N 2.89Å; E78-K82 IonicContact OE1-NZ 3.97Å; E78-K82 PolarHBondContact OE1-NZ 2.82Å; E79-K82 PolarHBondContact O-N 3.48Å
83	E	40.3	Very low	51.1	Low	172 Å²	172	133.3 Å²	133.3	80%	0.804	69%	0.691	S	S	*	*			trans	-133.2	69.3	179.6	-166.4	159.1	-161.3	0	0	110.8
84	S	38.1	Very low	49.9	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	70%	0.698	S	S	*	*			trans	-142.4	76.2	168	-159.3	0	0	0	0	109.9
85	T	37.8	Very low	48.9	Very low	134 Å²	134	134.9 Å²	134.9	82%	0.822	70%	0.701	S	S	*	*			trans	-105.2	95.5	156.2	-50.8	0	0	0	0	106.1
86	E	31.9	Very low	48.7	Very low	177 Å²	177	130.1 Å²	130.1	83%	0.827	69%	0.686	S	S	*	*	S	Bend	trans	39.9	85.1	143.5	-165.1	172.8	-167.1	0	0	117.8
87	E	38.3	Very low	48.7	Very low	191 Å²	191	129.7 Å²	129.7	89%	0.893	68%	0.682	S	S	*	*			trans	-150.1	105.9	141.8	-71.2	-161.9	163.5	0	0	109
88	T	36.7	Very low	48.5	Very low	135 Å²	135	130.7 Å²	130.7	83%	0.828	68%	0.684	S	S	*	*			trans	-70.7	125.6	175.8	41.6	0	0	0	0	110.9	E90	T88-E90 PolarHBondContact O-N 3.16Å; T88-E90 VanDerWaalsContact O-N 3.14Å
89	P	45.6	Very low	48.9	Very low	126 Å²	126	129.7 Å²	129.7	82%	0.818	68%	0.681	S	S	*	*			trans	-75	107.4	168.1	-2.5	19	0	0	0	108.5	M91	P89-M91 PolarHBondContact O-N 2.93Å; P89-M91 VanDerWaalsContact O-N 3.08Å
90	E	45.8	Very low	49.8	Very low	189 Å²	189	131.8 Å²	131.8	88%	0.883	68%	0.683	S	S	*	*			trans	-56.6	105.6	175.8	-160.9	172.8	-165.4	0	0	110	T88 N92	T88-E90 PolarHBondContact O-N 3.16Å; T88-E90 VanDerWaalsContact O-N 3.14Å; E90-N92 PolarHBondContact O-N 2.92Å
91	M	49.4	Very low	50.7	Low	163 Å²	163	132.2 Å²	132.2	80%	0.803	68%	0.681	S	S	*	*			trans	-55.8	125.6	169.1	-92.5	-175.1	-75.1	0	0	109.1	P89 P93	P89-M91 PolarHBondContact O-N 2.93Å; P89-M91 VanDerWaalsContact O-N 3.08Å; M91-P93 WeakPolarHBondContact O-CD 3.48Å
92	N	46.6	Very low	51.3	Low	92 Å²	92	133.5 Å²	133.5	49%	0.492	68%	0.675	S	S	.	*			trans	-49.1	115.3	173.9	-177.9	-13.4	0	0	0	110.1	E90 I94 L95 A96	E90-N92 PolarHBondContact O-N 2.92Å; N92-I94 PolarHBondContact O-N 2.95Å; N92-I94 WeakPolarHBondContact OD1-CB 3.31Å; N92-I94 WeakPolarHBondContact OD1-CG1 3.43Å; N92-I94 PolarHBondContact OD1-N 3.02Å; N92-I94 VanDerWaalsContact OD1-N 3.13Å; N92-L95 HydrophobicContact CB-CB 4.48Å; N92-L95 PolarHBondContact O-N 2.98Å; N92-A96 PolarHBondContact O-N 3.42Å
93	P	58.1	Low	51.7	Low	91 Å²	91	133.9 Å²	133.9	59%	0.591	68%	0.677	S	S	*	*	H	α-helix	trans	-60.3	-24.2	-174.2	22.9	-33.4	0	0	0	112.6	M91 A96 Q97	M91-P93 WeakPolarHBondContact O-CD 3.48Å; P93-A96 PolarHBondContact O-N 3.34Å; P93-Q97 WeakPolarHBondContact O-CB 3.42Å; P93-Q97 PolarHBondContact O-N 3.12Å; P93-Q97 VanDerWaalsContact O-N 3.08Å
94	I	49.1	Very low	51.8	Low	122 Å²	122	134.8 Å²	134.8	63%	0.626	68%	0.681	S	S	*	*	H	α-helix	trans	-67.4	-40.2	177.5	-56.3	173.6	0	0	0	110.8	N92 Q97 Y98	N92-I94 PolarHBondContact O-N 2.95Å; N92-I94 WeakPolarHBondContact OD1-CB 3.31Å; N92-I94 WeakPolarHBondContact OD1-CG1 3.43Å; N92-I94 PolarHBondContact OD1-N 3.02Å; N92-I94 VanDerWaalsContact OD1-N 3.13Å; I94-Q97 PolarHBondContact O-N 3.04Å; I94-Y98 WeakPolarHBondContact O-CB 3.47Å; I94-Y98 PolarHBondContact O-N 3.44Å
95	L	51.8	Low	51.9	Low	104 Å²	104	133 Å²	133	55%	0.545	68%	0.68	S	S	.	*	H	α-helix	trans	-71.7	-37.1	180	-165.4	70.1	0	0	0	111.1	N92 Q97 Y98 I99	N92-L95 HydrophobicContact CB-CB 4.48Å; N92-L95 PolarHBondContact O-N 2.98Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.25Å; L95-Y98 PolarHBondContact O-N 3.49Å; L95-I99 HydrophobicContact CG-CD1 4.06Å; L95-I99 WeakPolarHBondContact O-CB 3.29Å; L95-I99 WeakPolarHBondContact O-CD1 3.07Å; L95-I99 WeakPolarHBondContact O-CG1 3.32Å; L95-I99 PolarHBondContact O-N 3.27Å
96	A	65.8	Low	51.9	Low	29 Å²	29	135.5 Å²	135.5	24%	0.24	68%	0.682	C	S	.	*	H	α-helix	trans	-69.7	-24	175.4	0	0	0	0	0	113.4	N92 P93 R100	N92-A96 PolarHBondContact O-N 3.42Å; P93-A96 PolarHBondContact O-N 3.34Å; A96-R100 PolarHBondContact O-NE 2.92Å
97	Q	62.7	Low	52.4	Low	117 Å²	117	135.1 Å²	135.1	55%	0.547	69%	0.686	S	S	.	*	H	α-helix	trans	-82.8	-42.4	174.1	-160.3	170.8	2.9	0	0	111.1	P93 I94 L95 I99 R100 E101	P93-Q97 WeakPolarHBondContact O-CB 3.42Å; P93-Q97 PolarHBondContact O-N 3.12Å; P93-Q97 VanDerWaalsContact O-N 3.08Å; I94-Q97 PolarHBondContact O-N 3.04Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.25Å; Q97-I99 PolarHBondContact O-N 2.98Å; Q97-R100 WeakPolarHBondContact O-CA 3.1Å; Q97-R100 WeakPolarHBondContact O-CB 3.48Å; Q97-R100 PolarHBondContact O-N 2.76Å; Q97-E101 PolarHBondContact O-N 3.14Å
98	Y	63.9	Low	52.4	Low	140 Å²	140	135.5 Å²	135.5	55%	0.549	69%	0.685	S	S	.	*	H	α-helix	trans	-61.2	-42.8	174.8	-173	-100.3	0	0	0	112.8	I94 L95 R100 E101 H102	I94-Y98 WeakPolarHBondContact O-CB 3.47Å; I94-Y98 PolarHBondContact O-N 3.44Å; L95-Y98 PolarHBondContact O-N 3.49Å; Y98-R100 PolarHBondContact O-N 2.75Å; Y98-E101 PolarHBondContact O-N 3.28Å; Y98-H102 AromaticContact CD2-CD2 3.67Å; Y98-H102 AromaticContact CD2-NE2 3.94Å; Y98-H102 AromaticContact CE2-CD2 3.48Å; Y98-H102 VanDerWaalsContact CE2-CD2 3.48Å; Y98-H102 WeakPolarHBondContact CE2-CD2 3.38Å; Y98-H102 AromaticContact CE2-NE2 3.5Å; Y98-H102 AromaticContact CZ-CD2 3.81Å; Y98-H102 PolarHBondContact O-CD2 3.28Å; Y98-H102 PolarHBondContact O-N 2.82Å
99	I	66.7	Low	52.7	Low	93 Å²	93	134.9 Å²	134.9	48%	0.477	68%	0.683	S	S	.	*	H	α-helix	trans	-66.7	-27.4	175.6	-65.8	165.7	0	0	0	111.4	L95 Q97 K103	L95-I99 HydrophobicContact CG-CD1 4.06Å; L95-I99 WeakPolarHBondContact O-CB 3.29Å; L95-I99 WeakPolarHBondContact O-CD1 3.07Å; L95-I99 WeakPolarHBondContact O-CG1 3.32Å; L95-I99 PolarHBondContact O-N 3.27Å; Q97-I99 PolarHBondContact O-N 2.98Å; I99-K103 VanDerWaalsContact O-CB 3.23Å; I99-K103 WeakPolarHBondContact O-CB 3.4Å
100	R	71.1	Confident	52.3	Low	183 Å²	183	137.7 Å²	137.7	69%	0.691	69%	0.685	S	S	*	*	H	α-helix	trans	-77.3	-40.9	175.6	-106.7	176.1	-79.9	179.4	-9.6	112.4	A96 Q97 Y98 H102	A96-R100 PolarHBondContact O-NE 2.92Å; Q97-R100 WeakPolarHBondContact O-CA 3.1Å; Q97-R100 WeakPolarHBondContact O-CB 3.48Å; Q97-R100 PolarHBondContact O-N 2.76Å; Y98-R100 PolarHBondContact O-N 2.75Å; R100-H102 VanDerWaalsContact C-N 3.28Å; R100-H102 PolarHBondContact O-N 2.83Å
101	E	67.4	Low	51.9	Low	141 Å²	141	135.6 Å²	135.6	66%	0.659	68%	0.68	S	S	*	*	H	α-helix	trans	-71.7	-17.8	179.1	-91.3	176.3	153.4	0	0	113.9	Q97 Y98	Q97-E101 PolarHBondContact O-N 3.14Å; Y98-E101 PolarHBondContact O-N 3.28Å
102	H	62.8	Low	51.2	Low	131 Å²	131	131.9 Å²	131.9	61%	0.606	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	17	-174.4	-70.4	-75.6	0	0	0	115.2	Y98 R100	Y98-H102 AromaticContact CD2-CD2 3.67Å; Y98-H102 AromaticContact CD2-NE2 3.94Å; Y98-H102 AromaticContact CE2-CD2 3.48Å; Y98-H102 VanDerWaalsContact CE2-CD2 3.48Å; Y98-H102 WeakPolarHBondContact CE2-CD2 3.38Å; Y98-H102 AromaticContact CE2-NE2 3.5Å; Y98-H102 AromaticContact CZ-CD2 3.81Å; Y98-H102 PolarHBondContact O-CD2 3.28Å; Y98-H102 PolarHBondContact O-N 2.82Å; R100-H102 VanDerWaalsContact C-N 3.28Å; R100-H102 PolarHBondContact O-N 2.83Å
103	K	55.6	Low	50.8	Low	172 Å²	172	135.8 Å²	135.8	75%	0.748	69%	0.685	S	S	*	*			trans	-113.1	8	-179.1	-161.7	168.1	-179.2	175.9	0	114.9	I99	I99-K103 VanDerWaalsContact O-CB 3.23Å; I99-K103 WeakPolarHBondContact O-CB 3.4Å
104	E	42.9	Very low	49.7	Very low	192 Å²	192	137 Å²	137	90%	0.897	69%	0.691	S	S	*	*			trans	-95.1	102.9	175.7	-70.2	-174.7	170.8	0	0	111
105	G	38.9	Very low	49.1	Very low	72 Å²	72	138.9 Å²	138.9	74%	0.742	70%	0.697	S	S	*	*			trans	171.1	38.3	176	0	0	0	0	0	116.8
106	Q	38.8	Very low	48.5	Very low	186 Å²	186	141 Å²	141	87%	0.869	71%	0.709	S	S	*	*			trans	-177.2	99.9	161.3	-110.9	169.2	-7.1	0	0	108.4
107	D	42.6	Very low	47.2	Very low	169 Å²	169	148.8 Å²	148.8	90%	0.904	74%	0.738	S	S	*	*			trans	172.8	102.9	146	-84.6	-27.3	0	0	0	108.2
108	K	38.4	Very low	46.1	Very low	199 Å²	199	147.5 Å²	147.5	87%	0.865	74%	0.741	S	S	*	*			trans	-124.6	114	174.7	-165.3	-176.6	-171.2	-175	0	107.5
109	P	43.3	Very low	45	Very low	122 Å²	122	149.2 Å²	149.2	79%	0.792	75%	0.754	S	S	*	*			trans	-100.7	126.2	163.8	31.1	-23.5	0	0	0	110.6
110	E	37.7	Very low	43.8	Very low	184 Å²	184	152.8 Å²	152.8	86%	0.86	77%	0.769	S	S	*	*			trans	-74.6	130.8	161.9	-72.6	-177.1	150.9	0	0	109.4
111	N	36.3	Very low	42.4	Very low	146 Å²	146	150.6 Å²	150.6	78%	0.781	78%	0.776	S	S	*	*				156.1	144.2	105	-157.6	10.4	0	0	0	112.7
112	S	35.7	Very low	41	Very low	84 Å²	84	150 Å²	150	59%	0.587	78%	0.777	S	S	*	*			trans	72.1	120.4	149.8	64.2	0	0	0	0	122.3
113	E	38.2	Very low	40	Very low	175 Å²	175	152.2 Å²	152.2	82%	0.818	79%	0.788	S	S	*	*			trans	92.9	101.2	141.1	-68.8	171.6	-174.2	0	0	118.1
114	T	33.6	Very low	39.2	Very low	117 Å²	117	149.4 Å²	149.4	72%	0.718	79%	0.785	S	S	*	*				79.7	111.5	100.2	-49.9	0	0	0	0	109.3
115	E	37.8	Very low	39.3	Very low	160 Å²	160	148.4 Å²	148.4	75%	0.748	79%	0.786	S	S	*	*				178.4	130.4	74.8	-145.5	160.2	-146.4	0	0	109.8
116	N	37.9	Very low	39.3	Very low	148 Å²	148	149.9 Å²	149.9	79%	0.791	79%	0.785	S	S	*	*			trans	40.8	124.1	143.6	-59	-30.9	0	0	0	121.8
117	K	38.8	Very low	39.5	Very low	193 Å²	193	147.6 Å²	147.6	84%	0.839	78%	0.783	S	S	*	*				155.3	115.5	100.2	-174.7	161.6	-178.6	-176.8	0	113.7
118	S	39.3	Very low	39.4	Very low	90 Å²	90	146.3 Å²	146.3	63%	0.629	78%	0.776	S	S	*	*			trans	28.6	134.7	146.3	58.1	0	0	0	0	120.2
119	E	41.8	Very low	39.7	Very low	176 Å²	176	143 Å²	143	82%	0.822	77%	0.767	S	S	*	*				-158.5	131.1	64.4	-78	165.3	149.8	0	0	108.9
120	E	40.2	Very low	39.6	Very low	169 Å²	169	143.5 Å²	143.5	79%	0.79	76%	0.763	S	S	*	*				50.7	120.7	99.1	-120.8	176.6	173.1	0	0	112.9
121	V	42.8	Very low	39.8	Very low	137 Å²	137	142.8 Å²	142.8	83%	0.83	76%	0.76	S	S	*	*				-159.8	147.9	70.2	-165.9	0	0	0	0	112.3
122	N	38.2	Very low	40.4	Very low	128 Å²	128	144 Å²	144	68%	0.684	77%	0.766	S	S	*	*			trans	-59.5	159.3	178.1	-64.3	-60.2	0	0	0	117.5
123	E	42.3	Very low	40.7	Very low	178 Å²	178	148.3 Å²	148.3	83%	0.832	77%	0.774	S	S	*	*				165.7	98.7	113.9	-88.7	-176.8	170.7	0	0	109.1
124	T	38.1	Very low	41	Very low	113 Å²	113	147.8 Å²	147.8	69%	0.693	78%	0.776	S	S	*	*				58.4	110.3	98.6	55.9	0	0	0	0	115.5
125	D	45.5	Very low	41.2	Very low	171 Å²	171	146 Å²	146	91%	0.914	77%	0.773	S	S	*	*				-158.8	136.1	121.8	-111.4	-27.3	0	0	0	112.5
126	S	38	Very low	41.3	Very low	103 Å²	103	147.4 Å²	147.4	72%	0.72	78%	0.779	S	S	*	*			trans	-118.8	132	-166.1	-50.1	0	0	0	0	110
127	V	42.9	Very low	41.3	Very low	137 Å²	137	146.2 Å²	146.2	83%	0.83	78%	0.777	S	S	*	*			trans	-154.9	103.1	151.8	-174.6	0	0	0	0	107.8
128	N	41.6	Very low	41.5	Very low	142 Å²	142	146.4 Å²	146.4	76%	0.759	78%	0.778	S	S	*	*				72.5	124.4	91.3	-133.1	-14.8	0	0	0	111.6
129	I	42.9	Very low	41.3	Very low	131 Å²	131	150.4 Å²	150.4	67%	0.672	79%	0.787	S	S	*	*				-179.3	148.6	64.1	-83.4	170.9	0	0	0	110.9
130	D	42.7	Very low	41.3	Very low	131 Å²	131	149 Å²	149	70%	0.701	79%	0.79	S	S	*	*			trans	53.7	116.2	155.7	-66.6	-19.6	0	0	0	122.8
131	E	41.7	Very low	41	Very low	169 Å²	169	146.5 Å²	146.5	79%	0.79	79%	0.787	S	S	*	*				69.9	100.6	72.4	-91.6	-164.8	113.1	0	0	115.2
132	N	49.2	Very low	41.1	Very low	173 Å²	173	147.2 Å²	147.2	93%	0.925	79%	0.786	S	S	*	*				-155	145.4	129.1	-139.3	-3.2	0	0	0	112.6
133	K	41.4	Very low	41.1	Very low	174 Å²	174	147.8 Å²	147.8	76%	0.757	79%	0.789	S	S	*	*			trans	-134.9	121.8	-151.2	171.2	-158.1	-169.8	-167.8	0	110.1
134	I	43.8	Very low	41	Very low	164 Å²	164	148 Å²	148	84%	0.841	79%	0.787	S	S	*	*			trans	-158.3	99.2	157.1	-54.2	-174.8	0	0	0	108.2
135	A	39	Very low	41	Very low	80 Å²	80	146.8 Å²	146.8	66%	0.661	79%	0.788	S	S	*	*				60.9	97.4	90.5	0	0	0	0	0	115
136	E	39.1	Very low	40.8	Very low	188 Å²	188	143.7 Å²	143.7	88%	0.879	78%	0.777	S	S	*	*				58.8	122	104.5	-83.6	-171.4	147.1	0	0	116.4
137	T	39.1	Very low	40.7	Very low	123 Å²	123	147.4 Å²	147.4	76%	0.755	78%	0.783	S	S	*	*			trans	-167.5	110.9	136	-61.7	0	0	0	0	112.4
138	K	41	Very low	40.5	Very low	198 Å²	198	146.4 Å²	146.4	86%	0.861	78%	0.778	S	S	*	*			trans	69.8	116.9	140.1	-63	173.7	-176.1	179.5	0	123.5
139	E	36.3	Very low	40.3	Very low	173 Å²	173	146.8 Å²	146.8	81%	0.808	78%	0.78	S	S	*	*			trans	-60.2	149.6	147.6	-60.7	174.8	132.4	0	0	113.6
140	V	42.5	Very low	40.4	Very low	146 Å²	146	149.7 Å²	149.7	89%	0.885	78%	0.784	S	S	*	*			trans	-140.7	115.2	139.7	179.3	0	0	0	0	107.9
141	T	33.7	Very low	40.2	Very low	118 Å²	118	152.2 Å²	152.2	72%	0.724	79%	0.791	S	S	*	*			trans	-80.9	146.6	166.6	34.9	0	0	0	0	110.6
142	N	43.4	Very low	39.8	Very low	151 Å²	151	152.6 Å²	152.6	81%	0.807	79%	0.793	S	S	*	*			trans	-152.1	136.5	146.8	-136.7	-21.7	0	0	0	112.3
143	D	39.9	Very low	39.6	Very low	140 Å²	140	152.5 Å²	152.5	75%	0.749	79%	0.791	S	S	*	*			trans	-49.8	174.1	177.9	-67.4	-67.1	0	0	0	115.8
144	K	40	Very low	39.2	Very low	184 Å²	184	148.1 Å²	148.1	80%	0.8	79%	0.787	S	S	*	*			cis	169.4	120	-19.1	176.3	-178.8	-179.3	-165.6	0	105.7
145	A	37.2	Very low	39	Very low	86 Å²	86	149.7 Å²	149.7	71%	0.711	79%	0.791	S	S	*	*			trans	62.3	176.4	143.2	0	0	0	0	0	121
146	P	40.8	Very low	38.9	Very low	106 Å²	106	154.8 Å²	154.8	69%	0.688	80%	0.801	S	S	*	*				-136.7	179.7	-87.7	41.2	-21.9	0	0	0	115.5
147	E	36.4	Very low	38.8	Very low	181 Å²	181	155 Å²	155	85%	0.846	80%	0.802	S	S	*	*			trans	56.5	122.5	151.3	-74	172	-158.9	0	0	122.4
148	T	39.7	Very low	38.8	Very low	116 Å²	116	158.7 Å²	158.7	71%	0.712	81%	0.807	S	S	*	*			trans	-163.1	131.7	136.5	47.1	0	0	0	0	111.8
149	D	36.4	Very low	38.7	Very low	151 Å²	151	153.8 Å²	153.8	81%	0.807	80%	0.798	S	S	*	*			trans	-57.6	146.8	171.7	-58.5	-58.2	0	0	0	115.2
150	Y	44.2	Very low	38.9	Very low	192 Å²	192	153.6 Å²	153.6	75%	0.753	80%	0.797	S	S	*	*			trans	-158.2	114.5	145.8	-54.1	-72.4	0	0	0	113.2
151	E	40.5	Very low	38.7	Very low	184 Å²	184	154.8 Å²	154.8	86%	0.86	80%	0.795	S	S	*	*			trans	50.9	109.2	132.9	-69.9	170.5	160.1	0	0	124.1
152	E	33.4	Very low	39.1	Very low	177 Å²	177	157 Å²	157	83%	0.827	80%	0.803	S	S	*	*				0.5	127.3	128.1	-171.9	174.6	-171.2	0	0	120.5
153	I	44.4	Very low	38.8	Very low	171 Å²	171	157.6 Å²	157.6	88%	0.877	80%	0.801	S	S	*	*			trans	-145.7	120.2	139.4	-53.5	-178.5	0	0	0	108.8
154	A	32.3	Very low	38.8	Very low	82 Å²	82	156.2 Å²	156.2	68%	0.678	80%	0.799	S	S	*	*			trans	-110	141.8	164.7	0	0	0	0	0	108.8
155	E	40	Very low	38.9	Very low	197 Å²	197	153.6 Å²	153.6	92%	0.921	79%	0.792	S	S	*	*			trans	-156	139.3	154.9	-117.4	174.3	-165.9	0	0	111.9
156	E	35.8	Very low	39	Very low	186 Å²	186	157.2 Å²	157.2	87%	0.869	80%	0.795	S	S	*	*			trans	-83.8	168.6	-170.6	-59.8	169.3	124.3	0	0	113.7
157	Q	38.9	Very low	38.9	Very low	192 Å²	192	159.6 Å²	159.6	90%	0.897	80%	0.797	S	S	*	*			trans	146.4	110.4	145.8	-81.2	172.3	13.3	0	0	108.3
158	K	37.5	Very low	38.8	Very low	201 Å²	201	156.7 Å²	156.7	87%	0.874	79%	0.792	S	S	*	*			cis	61.3	96.7	49.7	-158.2	-173.6	-174.5	-172.2	0	114.6
159	S	39.1	Very low	38.8	Very low	95 Å²	95	156 Å²	156	66%	0.664	80%	0.798	S	S	*	*				157.8	149	114.4	67.5	0	0	0	0	114.5
160	E	40.3	Very low	38.8	Very low	170 Å²	170	157.4 Å²	157.4	79%	0.794	80%	0.799	S	S	*	*			trans	79.5	94.5	147.7	-75.9	165.3	142.9	0	0	122.1
161	M	39.1	Very low	38.5	Very low	170 Å²	170	156.3 Å²	156.3	84%	0.837	81%	0.807	S	S	*	*				33.9	116	103.5	-157.8	152.8	72.4	0	0	119.5
162	D	41.6	Very low	38.4	Very low	165 Å²	165	151.5 Å²	151.5	88%	0.882	80%	0.798	S	S	*	*			trans	-169.3	118.3	134.6	-101	-30.3	0	0	0	111.2
163	E	38.1	Very low	38.7	Very low	164 Å²	164	149.6 Å²	149.6	77%	0.766	79%	0.792	S	S	*	*			trans	-83.6	169.5	153.8	-115.1	-173.6	163.5	0	0	107.8
164	P	40	Very low	38.4	Very low	111 Å²	111	150 Å²	150	72%	0.721	79%	0.79	S	S	*	*			cis	-153.2	168.8	43.1	36.8	-11.9	0	0	0	118.7
165	I	41.1	Very low	38.7	Very low	128 Å²	128	150 Å²	150	66%	0.656	79%	0.791	S	S	*	*			trans	8.5	133.4	136.6	-56.1	164.8	0	0	0	118.7
166	E	38.7	Very low	38.7	Very low	163 Å²	163	149.6 Å²	149.6	76%	0.762	79%	0.789	S	S	*	*				163.5	141.2	104.9	-138.6	161	-140.6	0	0	115.6
167	E	39.8	Very low	39	Very low	155 Å²	155	148.2 Å²	148.2	72%	0.724	79%	0.787	S	S	*	*			trans	70.7	114.1	142.6	-93.1	-177.9	158.8	0	0	126.3
168	T	34	Very low	39.1	Very low	121 Å²	121	147 Å²	147	74%	0.742	78%	0.782	S	S	*	*				40.3	129.4	124.3	52.5	0	0	0	0	122.3
169	A	39.3	Very low	39.4	Very low	101 Å²	101	142.4 Å²	142.4	84%	0.835	78%	0.775	S	S	*	*				173.8	135.1	117.1	0	0	0	0	0	112.3
170	E	35.9	Very low	39.4	Very low	181 Å²	181	146.5 Å²	146.5	85%	0.846	78%	0.781	S	S	*	*			trans	-56.3	146.6	164.5	-65.1	165.1	128	0	0	112
171	N	39.5	Very low	39.5	Very low	169 Å²	169	147.1 Å²	147.1	90%	0.904	78%	0.784	S	S	*	*			trans	-166.8	147	130.4	-105.5	-63.2	0	0	0	112
172	A	37	Very low	39.4	Very low	83 Å²	83	143 Å²	143	69%	0.686	78%	0.776	S	S	*	*			trans	-89.6	-177	-167.6	0	0	0	0	0	113.5
173	I	40.6	Very low	39.4	Very low	136 Å²	136	145.9 Å²	145.9	70%	0.697	78%	0.776	S	S	*	*			trans	117.5	123.5	139.1	-54.7	179	0	0	0	116.2
174	E	37.4	Very low	39.4	Very low	179 Å²	179	145.2 Å²	145.2	84%	0.836	78%	0.778	S	S	*	*			trans	104.4	115	141.8	-90.5	153.5	-150	0	0	123.6
175	A	38.5	Very low	39.4	Very low	83 Å²	83	147.1 Å²	147.1	69%	0.686	78%	0.781	S	S	*	*				81.3	140.6	129.5	0	0	0	0	0	119.3
176	E	41	Very low	39.3	Very low	188 Å²	188	148.7 Å²	148.7	88%	0.879	79%	0.79	S	S	*	*			cis	-176.8	135.7	-2.3	-107.6	174.9	157.9	0	0	105.8
177	N	40.9	Very low	39.4	Very low	158 Å²	158	145.9 Å²	145.9	85%	0.845	79%	0.787	S	S	*	*			trans	-169.2	83.6	136.6	70.1	-9.1	0	0	0	113.6
178	E	41.7	Very low	39.3	Very low	166 Å²	166	143 Å²	143	78%	0.776	79%	0.789	S	S	*	*				27.7	116.3	121.9	-149.7	171.1	-162.2	0	0	121.8
179	S	43.5	Very low	39.9	Very low	105 Å²	105	143 Å²	143	73%	0.734	79%	0.789	S	S	*	*				159.2	102.6	108.6	67	0	0	0	0	110.1
180	K	40	Very low	40	Very low	181 Å²	181	143 Å²	143	79%	0.787	78%	0.78	S	S	*	*				58	126.7	98	-73.8	179.6	179.1	170.5	0	113
181	E	42.4	Very low	40.5	Very low	183 Å²	183	143.4 Å²	143.4	86%	0.855	78%	0.775	S	S	*	*				-168.4	144.4	50.1	-156.2	160.2	-163.4	0	0	111.1
182	A	36.1	Very low	40.6	Very low	83 Å²	83	142.2 Å²	142.2	69%	0.686	77%	0.769	S	S	*	*			trans	-111.7	160.7	177.6	0	0	0	0	0	110.2
183	Y	41.3	Very low	40.9	Very low	225 Å²	225	146.6 Å²	146.6	88%	0.882	78%	0.775	S	S	*	*			trans	164.6	112.9	151.7	-90.1	-68.1	0	0	0	106.1
184	L	39	Very low	40.9	Very low	151 Å²	151	148.3 Å²	148.3	79%	0.791	78%	0.78	S	S	*	*			cis	74	116.5	45.5	-110.1	-176	0	0	0	116.1
185	L	39.1	Very low	40.8	Very low	151 Å²	151	146 Å²	146	79%	0.791	77%	0.774	S	S	*	*			trans	76.3	118.6	162.8	-62.3	114.6	0	0	0	120.8
186	D	39.5	Very low	40.7	Very low	160 Å²	160	147.5 Å²	147.5	86%	0.856	77%	0.774	S	S	*	*				-169.5	144	108.2	-134.7	-2	0	0	0	112.3
187	P	40.8	Very low	40.5	Very low	105 Å²	105	146.7 Å²	146.7	68%	0.682	77%	0.771	S	S	*	*			trans	-107.6	156.5	177.5	36.6	-24.3	0	0	0	114.8
188	A	38.2	Very low	40.4	Very low	94 Å²	94	144 Å²	144	78%	0.777	77%	0.765	S	S	*	*			trans	55.9	117.2	149.8	0	0	0	0	0	121.6
189	V	45.3	Very low	40.3	Very low	121 Å²	121	140 Å²	140	73%	0.733	76%	0.76	S	S	*	*			trans	-148.8	130.9	139.4	-128.5	0	0	0	0	110.7	Y191	V189-Y191 HydrophobicContact CB-CE2 4.3Å; V189-Y191 HydrophobicContact CG1-CE2 3.84Å
190	P	42.4	Very low	39.9	Very low	102 Å²	102	140.1 Å²	140.1	66%	0.662	76%	0.76	S	S	*	*			trans	-111.8	144.4	178.9	37.7	-27.1	0	0	0	113.1
191	Y	46.5	Very low	40	Very low	188 Å²	188	140.5 Å²	140.5	74%	0.737	77%	0.765	S	S	*	*			trans	-167.7	144.2	162.2	-50.4	-77.8	0	0	0	106.8	V189	V189-Y191 HydrophobicContact CB-CE2 4.3Å; V189-Y191 HydrophobicContact CG1-CE2 3.84Å
192	D	41.6	Very low	39.6	Very low	144 Å²	144	140.2 Å²	140.2	77%	0.77	76%	0.764	S	S	*	*			cis	-166.1	167.2	-10.4	-95.6	-34.5	0	0	0	107.4
193	E	42.3	Very low	39.8	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.822	76%	0.763	S	S	*	*			trans	-59.3	152.5	-170.8	-59.9	164	125	0	0	118.3
194	E	41.3	Very low	39.8	Very low	171 Å²	171	140.5 Å²	140.5	80%	0.799	76%	0.762	S	S	*	*				177.2	118.4	105.6	-104.9	-169.6	111.3	0	0	108.4
195	N	36.3	Very low	39.7	Very low	130 Å²	130	141.5 Å²	141.5	70%	0.695	76%	0.763	S	S	*	*				67.8	128.4	90	-147.4	29.4	0	0	0	111.2
196	T	34.7	Very low	39.7	Very low	115 Å²	115	140.8 Å²	140.8	71%	0.706	77%	0.765	S	S	*	*			cis	-171.3	162.2	36.9	-29.1	0	0	0	0	110
197	E	37.7	Very low	39.5	Very low	171 Å²	171	138.9 Å²	138.9	80%	0.799	76%	0.761	S	S	*	*			trans	-68.1	169	-178.5	-169.4	178.4	176.3	0	0	117.4
198	S	38.9	Very low	39.5	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	77%	0.773	S	S	*	*			trans	97.1	109	149.2	-91.6	0	0	0	0	122
199	A	38.8	Very low	39.5	Very low	82 Å²	82	145.3 Å²	145.3	68%	0.678	78%	0.776	S	S	*	*				73.5	117.3	112	0	0	0	0	0	121.4
200	S	36.8	Very low	39.2	Very low	106 Å²	106	144.7 Å²	144.7	74%	0.741	78%	0.776	S	S	*	*			trans	45.6	114.5	135.3	60.2	0	0	0	0	120
201	E	40.8	Very low	39	Very low	189 Å²	189	148.6 Å²	148.6	88%	0.883	79%	0.786	S	S	*	*				-175.7	136.1	109	-101.9	176.1	174.5	0	0	110.6
202	E	34.3	Very low	38.7	Very low	178 Å²	178	144.2 Å²	144.2	83%	0.832	78%	0.783	S	S	*	*			trans	3.6	164.3	146.6	-146.3	170.7	138.9	0	0	121.6
203	I	41.4	Very low	38.5	Very low	132 Å²	132	143.5 Å²	143.5	68%	0.677	78%	0.779	S	S	*	*			trans	103.4	106.8	148.4	-21.8	177.5	0	0	0	119.3
204	E	39.4	Very low	38.5	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	78%	0.776	S	S	*	*			trans	64.7	119.2	140.8	-73.4	173.5	138.9	0	0	123.7
205	E	37.1	Very low	38.2	Very low	173 Å²	173	137.3 Å²	137.3	81%	0.808	78%	0.775	S	S	*	*			trans	-46	130.9	148.4	-54.2	176.3	159.3	0	0	112.9
206	T	38.8	Very low	38.3	Very low	136 Å²	136	135.6 Å²	135.6	83%	0.834	78%	0.779	S	S	*	*				178.8	153.8	104.7	26.6	0	0	0	0	112.2
207	P	36.5	Very low	38.8	Very low	119 Å²	119	138.1 Å²	138.1	77%	0.773	79%	0.786	S	S	*	*			trans	-106.9	159.9	-155.8	39	-30.1	0	0	0	114.2
208	L	41.5	Very low	39.4	Very low	180 Å²	180	135.6 Å²	135.6	94%	0.942	79%	0.785	S	S	*	*			trans	-134	117.9	166.8	-84.7	165.9	0	0	0	110.6
209	D	36.1	Very low	39.7	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	79%	0.792	S	S	*	*			trans	-76.2	174.5	170	-119.5	-44.1	0	0	0	112.5
210	S	40.6	Very low	39.7	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	79%	0.793	S	S	*	*			trans	91.7	145.8	164.8	75.5	0	0	0	0	117.7
211	E	38.4	Very low	40	Very low	184 Å²	184	138.5 Å²	138.5	86%	0.86	80%	0.796	S	S	*	*			cis	-176.6	-178.4	-30.2	-149.6	-178.7	115	0	0	104
212	S	39.3	Very low	39.8	Very low	97 Å²	97	137.4 Å²	137.4	68%	0.678	79%	0.791	S	S	*	*			trans	88.2	134.1	167	-128.6	0	0	0	0	115.3
213	N	37.6	Very low	40	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	79%	0.791	S	S	*	*			cis	-169.6	163.5	22.8	-146.4	-20.6	0	0	0	112.5
214	N	42.1	Very low	39.8	Very low	141 Å²	141	136.1 Å²	136.1	75%	0.754	79%	0.793	S	S	*	*			trans	87.3	109	150.8	-66.8	-33.3	0	0	0	121.1
215	G	36	Very low	39.7	Very low	77 Å²	77	132.1 Å²	132.1	79%	0.794	79%	0.785	S	S	*	*			trans	-95.3	174.6	152.4	0	0	0	0	0	113
216	A	37.4	Very low	39.8	Very low	94 Å²	94	133 Å²	133	78%	0.777	79%	0.789	S	S	*	*			trans	-177.4	131.5	148.1	0	0	0	0	0	108.3
217	I	45.1	Very low	39.9	Very low	167 Å²	167	134.5 Å²	134.5	86%	0.856	79%	0.787	S	S	*	*			trans	-174.4	131.3	135.4	-85	145.4	0	0	0	107.5
218	P	50.9	Low	40	Very low	118 Å²	118	137.7 Å²	137.7	77%	0.766	79%	0.789	S	S	*	*			trans	-96.1	174.3	-169.3	38.5	-35.7	0	0	0	115.1
219	P	44.7	Very low	39.8	Very low	135 Å²	135	134.4 Å²	134.4	88%	0.877	78%	0.778	S	S	*	*			trans	-111.6	174.3	-167.5	41.6	-30.6	0	0	0	114.9
220	G	39.6	Very low	39.8	Very low	67 Å²	67	135.9 Å²	135.9	69%	0.691	78%	0.777	S	S	*	*			trans	170.9	149.8	165	0	0	0	0	0	109.8
221	D	41.6	Very low	39.7	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	78%	0.783	S	S	*	*			cis	-152.8	143.7	-3.1	-102.6	-41.7	0	0	0	109.6
222	Q	38.3	Very low	39.6	Very low	167 Å²	167	135.4 Å²	135.4	78%	0.78	78%	0.782	S	S	*	*			trans	16.8	149.2	145.4	-54	-171.3	-43.7	0	0	125.6
223	Q	37.5	Very low	39.7	Very low	180 Å²	180	142.9 Å²	142.9	84%	0.841	80%	0.795	S	S	*	*			trans	97.5	132	136	-144.8	170.3	-46.4	0	0	116.5
224	S	37.6	Very low	39.8	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	80%	0.803	S	S	*	*			cis	-174.1	152.7	-9.3	174.1	0	0	0	0	108.6
225	S	37.1	Very low	39.7	Very low	97 Å²	97	148.3 Å²	148.3	68%	0.678	81%	0.806	S	S	*	*			trans	70.1	112	150.3	-156.2	0	0	0	0	120.8
226	E	40.1	Very low	39.9	Very low	190 Å²	190	150.3 Å²	150.3	89%	0.888	80%	0.802	S	S	*	*				171.3	158.2	109	-93.5	-177.5	136.9	0	0	112.1
227	E	39.1	Very low	39.9	Very low	168 Å²	168	155 Å²	155	79%	0.785	80%	0.801	S	S	*	*			trans	-82.7	142.1	-155.8	-56.6	179.6	110.3	0	0	117.2
228	K	40.1	Very low	39.8	Very low	187 Å²	187	153.1 Å²	153.1	81%	0.813	79%	0.792	S	S	*	*			trans	56.6	157	147.4	-72.1	173.9	-176.7	157.9	0	119
229	P	36.7	Very low	39.2	Very low	111 Å²	111	153.7 Å²	153.7	72%	0.721	79%	0.793	S	S	*	*			cis	-138.2	157.1	15.3	38.7	-18.3	0	0	0	118.5
230	K	36.3	Very low	39.2	Very low	185 Å²	185	153.6 Å²	153.6	80%	0.804	78%	0.784	S	S	*	*			trans	46.6	125.3	135.8	-68.6	179.9	179.6	172.4	0	123.7
231	K	38.7	Very low	39.2	Very low	202 Å²	202	154.8 Å²	154.8	88%	0.878	79%	0.788	S	S	*	*			trans	73.3	126.9	138.7	-67.7	178.3	176.3	-172.6	0	116.9
232	G	36.2	Very low	38.8	Very low	80 Å²	80	152.4 Å²	152.4	83%	0.825	79%	0.789	S	S	*	*			cis	152	100.6	5.9	0	0	0	0	0	108.6
233	R	41.7	Very low	39.1	Very low	253 Å²	253	152 Å²	152	96%	0.955	79%	0.79	S	S	*	*			trans	-108.3	135.1	169.1	-83.5	-177.9	177.6	175.3	-0.6	108.6
234	K	38.5	Very low	39	Very low	199 Å²	199	148.3 Å²	148.3	87%	0.865	79%	0.791	S	S	*	*			trans	-121.9	111.4	167.4	-69.9	-173.9	179.3	-174.7	0	109
235	K	41.1	Very low	39.4	Very low	185 Å²	185	149.7 Å²	149.7	80%	0.804	80%	0.795	S	S	*	*			trans	-129.6	106.8	147.7	-73.7	-168.7	177.1	-170.5	0	104.5
236	V	40.2	Very low	39.3	Very low	119 Å²	119	153.4 Å²	153.4	72%	0.721	81%	0.806	S	S	*	*			trans	-101.5	108.4	177.6	175.8	0	0	0	0	105.9	I238	V236-I238 HydrophobicContact CG1-CG1 4.2Å
237	Y	37.9	Very low	39.6	Very low	191 Å²	191	147.6 Å²	147.6	75%	0.749	80%	0.797	S	S	*	*			trans	-74.7	120.7	164	-70	-87	0	0	0	107.3	T239	Y237-T239 PolarHBondContact O-N 3.44Å
238	I	43	Very low	39.4	Very low	129 Å²	129	148.7 Å²	148.7	66%	0.662	81%	0.806	S	S	*	*			trans	-91.9	83.2	173.5	-58.9	179.4	0	0	0	107.4	V236 L240	V236-I238 HydrophobicContact CG1-CG1 4.2Å; I238-L240 HydrophobicContact CG2-CG 4.41Å
239	T	38.2	Very low	39.6	Very low	130 Å²	130	143.4 Å²	143.4	80%	0.798	81%	0.805	S	S	*	*			trans	-82.5	111.3	158.4	35.1	0	0	0	0	108	Y237	Y237-T239 PolarHBondContact O-N 3.44Å
240	L	42.8	Very low	40.1	Very low	132 Å²	132	139.8 Å²	139.8	69%	0.691	79%	0.788	S	S	*	*			trans	-94.9	102.1	171.6	-102.8	169.4	0	0	0	108.9	I238 R264	I238-L240 HydrophobicContact CG2-CG 4.41Å; L240-R264 VanDerWaalsContact CD1-NH1 3.34Å
241	A	40.5	Very low	40.9	Very low	92 Å²	92	135 Å²	135	76%	0.76	78%	0.783	S	S	*	*			trans	-108.2	129.3	162.1	0	0	0	0	0	107.9
242	A	34.1	Very low	41.6	Very low	101 Å²	101	134.6 Å²	134.6	84%	0.835	78%	0.777	S	S	*	*			trans	-78.5	133.1	-177.8	0	0	0	0	0	111.5
243	I	43.4	Very low	42.6	Very low	157 Å²	157	139.6 Å²	139.6	81%	0.805	77%	0.773	S	S	*	*			trans	-141.8	114	159.2	-59.7	-177.1	0	0	0	108.4	V245	I243-V245 HydrophobicContact CG2-CG2 4.14Å
244	A	36.7	Very low	43.4	Very low	103 Å²	103	134.1 Å²	134.1	85%	0.851	75%	0.753	S	S	*	*			trans	-83.3	126.5	172.1	0	0	0	0	0	110.3
245	V	44.4	Very low	44.6	Very low	133 Å²	133	131.4 Å²	131.4	81%	0.806	74%	0.743	S	S	*	*			trans	-129.7	116.8	167	-178.7	0	0	0	0	109.7	I243	I243-V245 HydrophobicContact CG2-CG2 4.14Å
246	L	36.4	Very low	46.1	Very low	175 Å²	175	127.7 Å²	127.7	92%	0.916	73%	0.728	S	S	*	*			trans	-67.3	133.6	176.5	-65.6	162.3	0	0	0	111.1
247	G	44.9	Very low	47.8	Very low	68 Å²	68	128.2 Å²	128.2	70%	0.701	72%	0.723	S	S	*	*			trans	175.6	64.4	175.5	0	0	0	0	0	117.5	G249	G247-G249 PolarHBondContact O-N 2.95Å
248	I	35.9	Very low	49.8	Very low	190 Å²	190	124.6 Å²	124.6	97%	0.974	71%	0.711	S	S	*	*	S	Bend	trans	43.5	67.6	141.2	-42.8	178.3	0	0	0	116.1
249	G	44.4	Very low	51.6	Low	76 Å²	76	124 Å²	124	78%	0.784	71%	0.706	S	S	*	*			trans	-170.7	7.1	164.6	0	0	0	0	0	114.5	G247	G247-G249 PolarHBondContact O-N 2.95Å
250	G	47.7	Very low	53.9	Low	35 Å²	35	120 Å²	120	36%	0.361	68%	0.681	S	S	.	*			trans	-106.6	12.2	-143.4	0	0	0	0	0	118.6	Y252 Y253 Y254	G250-Y252 VanDerWaalsContact C-N 3.32Å; G250-Y252 PolarHBondContact O-N 3.23Å; G250-Y253 PolarHBondContact O-N 3.09Å; G250-Y254 WeakPolarHBondContact O-CA 3.47Å; G250-Y254 WeakPolarHBondContact O-CB 3.47Å; G250-Y254 PolarHBondContact O-N 3.31Å
251	A	52	Low	55.9	Low	85 Å²	85	119.1 Å²	119.1	70%	0.702	67%	0.673	S	S	*	*	H	α-helix	trans	-61.9	-34.5	-170.7	0	0	0	0	0	114.6	Q255	A251-Q255 WeakPolarHBondContact O-CG 3.4Å; A251-Q255 PolarHBondContact O-N 3.03Å
252	Y	53.5	Low	58.1	Low	193 Å²	193	117.4 Å²	117.4	76%	0.757	66%	0.66	S	S	*	*	H	α-helix	trans	-82.5	-42.3	178.1	-164.7	-98.2	0	0	0	112.5	G250 H256	G250-Y252 VanDerWaalsContact C-N 3.32Å; G250-Y252 PolarHBondContact O-N 3.23Å; Y252-H256 PolarHBondContact O-N 3.33Å; Y252-H256 VanDerWaalsContact O-N 3.13Å
253	Y	56.5	Low	60.7	Low	185 Å²	185	118 Å²	118	73%	0.725	65%	0.645	S	S	*	*	H	α-helix	trans	-68	-37.7	176.4	-87.7	-84.5	0	0	0	112.2	G250 H256 E257	G250-Y253 PolarHBondContact O-N 3.09Å; Y253-H256 PolarHBondContact O-N 3.22Å; Y253-E257 WeakPolarHBondContact O-CB 3.46Å; Y253-E257 PolarHBondContact O-N 3.46Å
254	Y	59.7	Low	62.6	Low	139 Å²	139	116.3 Å²	116.3	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-70.4	-34.2	179.4	-171.1	-103.2	0	0	0	112.8	G250 K258	G250-Y254 WeakPolarHBondContact O-CA 3.47Å; G250-Y254 WeakPolarHBondContact O-CB 3.47Å; G250-Y254 PolarHBondContact O-N 3.31Å; Y254-K258 HydrophobicContact CD1-CD 4.34Å; Y254-K258 HydrophobicContact CE1-CD 3.91Å; Y254-K258 HydrophobicContact CE1-CG 4.49Å; Y254-K258 WeakPolarHBondContact O-CB 3.41Å; Y254-K258 WeakPolarHBondContact O-CG 3.35Å; Y254-K258 PolarHBondContact O-N 3.31Å; Y254-K258 WeakPolarHBondContact OH-CE 3.39Å; Y254-K258 PolarHBondContact OH-NZ 3.31Å
255	Q	64.4	Low	65.1	Low	142 Å²	142	116.3 Å²	116.3	66%	0.664	61%	0.613	S	S	*	*	H	α-helix	trans	-66.6	-47.4	170.4	-84.3	-103.4	11.5	0	0	111.1	A251 E257 K258 E259	A251-Q255 WeakPolarHBondContact O-CG 3.4Å; A251-Q255 PolarHBondContact O-N 3.03Å; Q255-E257 PolarHBondContact O-N 3.06Å; Q255-K258 PolarHBondContact O-N 3.27Å; Q255-E259 PolarHBondContact O-N 2.95Å
256	H	71.2	Confident	67.3	Low	106 Å²	106	112.7 Å²	112.7	49%	0.491	60%	0.597	S	S	.	*	H	α-helix	trans	-64.6	-39.2	178	-170.8	-27.8	0	0	0	111.8	Y252 Y253 E259 V260	Y252-H256 PolarHBondContact O-N 3.33Å; Y252-H256 VanDerWaalsContact O-N 3.13Å; Y253-H256 PolarHBondContact O-N 3.22Å; H256-E259 PolarHBondContact O-N 3.45Å; H256-V260 WeakPolarHBondContact CE1-CG2 3.34Å; H256-V260 WeakPolarHBondContact ND1-CG2 3.27Å; H256-V260 WeakPolarHBondContact O-CB 3.46Å; H256-V260 VanDerWaalsContact O-CG2 3.27Å; H256-V260 WeakPolarHBondContact O-CG2 3.33Å; H256-V260 PolarHBondContact O-N 3.23Å
257	E	76.4	Confident	69.8	Low	131 Å²	131	107.8 Å²	107.8	61%	0.612	57%	0.574	S	S	*	*	H	α-helix	trans	-67.3	-42.1	178.8	-169.2	160.6	-153.1	0	0	111	Y253 Q255 E259 V260 E261	Y253-E257 WeakPolarHBondContact O-CB 3.46Å; Y253-E257 PolarHBondContact O-N 3.46Å; Q255-E257 PolarHBondContact O-N 3.06Å; E257-E259 PolarHBondContact O-N 3.09Å; E257-V260 PolarHBondContact O-N 2.68Å; E257-E261 VanDerWaalsContact O-CB 3.26Å; E257-E261 WeakPolarHBondContact O-CB 3.31Å; E257-E261 PolarHBondContact O-N 3.12Å
258	K	79.4	Confident	72	Confident	114 Å²	114	107.7 Å²	107.7	50%	0.496	56%	0.56	S	S	.	*	H	α-helix	trans	-60.4	-41.1	170.5	-82.7	-169.9	170.9	-177.8	0	113.1	Y254 Q255 A262	Y254-K258 HydrophobicContact CD1-CD 4.34Å; Y254-K258 HydrophobicContact CE1-CD 3.91Å; Y254-K258 HydrophobicContact CE1-CG 4.49Å; Y254-K258 WeakPolarHBondContact O-CB 3.41Å; Y254-K258 WeakPolarHBondContact O-CG 3.35Å; Y254-K258 PolarHBondContact O-N 3.31Å; Y254-K258 WeakPolarHBondContact OH-CE 3.39Å; Y254-K258 PolarHBondContact OH-NZ 3.31Å; Q255-K258 PolarHBondContact O-N 3.27Å; K258-A262 WeakPolarHBondContact O-CB 3.34Å; K258-A262 PolarHBondContact O-N 3Å
259	E	81.5	Confident	74.7	Confident	117 Å²	117	105.1 Å²	105.1	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-68.3	-40.9	178.2	-167.9	177.3	175.1	0	0	111.5	Q255 H256 E257 A262 Q263	Q255-E259 PolarHBondContact O-N 2.95Å; H256-E259 PolarHBondContact O-N 3.45Å; E257-E259 PolarHBondContact O-N 3.09Å; E259-A262 PolarHBondContact O-N 3.27Å; E259-Q263 WeakPolarHBondContact O-CB 3.32Å; E259-Q263 VanDerWaalsContact O-CG 3.25Å; E259-Q263 WeakPolarHBondContact O-CG 3.44Å; E259-Q263 PolarHBondContact O-N 2.9Å
260	V	86	Confident	77	Confident	47 Å²	47	108.8 Å²	108.8	29%	0.285	54%	0.536	S	S	.	.	H	α-helix	trans	-65.6	-42.4	175.4	168.3	0	0	0	0	111.3	H256 E257 Q263 R264	H256-V260 WeakPolarHBondContact CE1-CG2 3.34Å; H256-V260 WeakPolarHBondContact ND1-CG2 3.27Å; H256-V260 WeakPolarHBondContact O-CB 3.46Å; H256-V260 VanDerWaalsContact O-CG2 3.27Å; H256-V260 WeakPolarHBondContact O-CG2 3.33Å; H256-V260 PolarHBondContact O-N 3.23Å; E257-V260 PolarHBondContact O-N 2.68Å; V260-Q263 PolarHBondContact O-N 3.41Å; V260-R264 VanDerWaalsContact O-CG 3.3Å; V260-R264 WeakPolarHBondContact O-CG 3.35Å; V260-R264 PolarHBondContact O-N 3.24Å
261	E	85	Confident	79.2	Confident	112 Å²	112	110.1 Å²	110.1	52%	0.523	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-45.9	175.5	-172.9	177.1	-168.5	0	0	111	E257 Q263 R264 I265	E257-E261 VanDerWaalsContact O-CB 3.26Å; E257-E261 WeakPolarHBondContact O-CB 3.31Å; E257-E261 PolarHBondContact O-N 3.12Å; E261-Q263 VanDerWaalsContact C-N 3.32Å; E261-Q263 PolarHBondContact O-N 3.45Å; E261-R264 WeakPolarHBondContact O-CB 3.29Å; E261-R264 PolarHBondContact O-N 3.5Å; E261-R264 VanDerWaalsContact O-N 3.15Å; E261-I265 HydrophobicContact CG-CD1 4.04Å; E261-I265 WeakPolarHBondContact O-CG1 3.4Å; E261-I265 PolarHBondContact O-N 3.37Å
262	A	87.5	Confident	81.2	Confident	57 Å²	57	108.2 Å²	108.2	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-60.4	-40.5	174.8	0	0	0	0	0	112.2	K258 E259 I265 A266	K258-A262 WeakPolarHBondContact O-CB 3.34Å; K258-A262 PolarHBondContact O-N 3Å; E259-A262 PolarHBondContact O-N 3.27Å; A262-I265 PolarHBondContact O-N 2.91Å; A262-A266 VanDerWaalsContact O-CB 3.23Å; A262-A266 WeakPolarHBondContact O-CB 3.33Å; A262-A266 PolarHBondContact O-N 3.49Å
263	Q	87.8	Confident	83.2	Confident	114 Å²	114	105.1 Å²	105.1	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-65.6	-38.8	174.6	-75.3	-179.7	26.9	0	0	112.2	E259 V260 E261 A266 T267	E259-Q263 WeakPolarHBondContact O-CB 3.32Å; E259-Q263 VanDerWaalsContact O-CG 3.25Å; E259-Q263 WeakPolarHBondContact O-CG 3.44Å; E259-Q263 PolarHBondContact O-N 2.9Å; V260-Q263 PolarHBondContact O-N 3.41Å; E261-Q263 VanDerWaalsContact C-N 3.32Å; E261-Q263 PolarHBondContact O-N 3.45Å; Q263-A266 PolarHBondContact O-N 2.86Å; Q263-T267 WeakPolarHBondContact O-CB 3.31Å; Q263-T267 PolarHBondContact O-N 3.08Å; Q263-T267 PolarHBondContact O-OG1 3.21Å
264	R	83.6	Confident	85.1	Confident	120 Å²	120	98.7 Å²	98.7	45%	0.453	48%	0.481	S	S	.	.	H	α-helix	trans	-64.7	-48	174.7	-74.4	175.1	-173.6	-117.2	6.5	111.5	L240 V260 E261 A266 T267 V268	L240-R264 VanDerWaalsContact CD1-NH1 3.34Å; V260-R264 VanDerWaalsContact O-CG 3.3Å; V260-R264 WeakPolarHBondContact O-CG 3.35Å; V260-R264 PolarHBondContact O-N 3.24Å; E261-R264 WeakPolarHBondContact O-CB 3.29Å; E261-R264 PolarHBondContact O-N 3.5Å; E261-R264 VanDerWaalsContact O-N 3.15Å; R264-A266 VanDerWaalsContact C-N 3.32Å; R264-A266 PolarHBondContact O-N 2.97Å; R264-T267 WeakPolarHBondContact O-CB 3.49Å; R264-T267 PolarHBondContact O-N 3.5Å; R264-T267 VanDerWaalsContact O-N 3.15Å; R264-V268 WeakPolarHBondContact O-CG2 3.18Å; R264-V268 PolarHBondContact O-N 2.89Å
265	I	87.9	Confident	86.8	Confident	104 Å²	104	92 Å²	92	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-59.7	-44.1	176.3	-66.8	168.1	0	0	0	110.4	E261 A262 T267 V268 K269	E261-I265 HydrophobicContact CG-CD1 4.04Å; E261-I265 WeakPolarHBondContact O-CG1 3.4Å; E261-I265 PolarHBondContact O-N 3.37Å; A262-I265 PolarHBondContact O-N 2.91Å; I265-T267 VanDerWaalsContact C-N 3.31Å; I265-T267 PolarHBondContact O-N 3.16Å; I265-V268 PolarHBondContact O-N 3.3Å; I265-K269 VanDerWaalsContact O-CB 3.29Å; I265-K269 WeakPolarHBondContact O-CB 3.5Å; I265-K269 PolarHBondContact O-N 2.95Å
266	A	90.7	Very high	88.4	Confident	57 Å²	57	88.3 Å²	88.3	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-63.4	-36.9	176.9	0	0	0	0	0	112.5	A262 Q263 R264 K270	A262-A266 VanDerWaalsContact O-CB 3.23Å; A262-A266 WeakPolarHBondContact O-CB 3.33Å; A262-A266 PolarHBondContact O-N 3.49Å; Q263-A266 PolarHBondContact O-N 2.86Å; R264-A266 VanDerWaalsContact C-N 3.32Å; R264-A266 PolarHBondContact O-N 2.97Å; A266-K270 WeakPolarHBondContact O-CB 3.17Å; A266-K270 PolarHBondContact O-N 3.2Å
267	T	89.7	Confident	89.7	Confident	71 Å²	71	87.3 Å²	87.3	44%	0.436	44%	0.442	S	S	.	.	H	α-helix	trans	-66	-53.1	176.2	-58.2	0	0	0	0	110.6	Q263 R264 I265 K269 K270 E271	Q263-T267 WeakPolarHBondContact O-CB 3.31Å; Q263-T267 PolarHBondContact O-N 3.08Å; Q263-T267 PolarHBondContact O-OG1 3.21Å; R264-T267 WeakPolarHBondContact O-CB 3.49Å; R264-T267 PolarHBondContact O-N 3.5Å; R264-T267 VanDerWaalsContact O-N 3.15Å; I265-T267 VanDerWaalsContact C-N 3.31Å; I265-T267 PolarHBondContact O-N 3.16Å; T267-K269 VanDerWaalsContact C-N 3.28Å; T267-K269 PolarHBondContact O-N 2.98Å; T267-K270 WeakPolarHBondContact O-CA 3.36Å; T267-K270 WeakPolarHBondContact O-CB 3.48Å; T267-K270 PolarHBondContact O-N 3.5Å; T267-E271 HydrophobicContact CG2-CG 4.41Å; T267-E271 WeakPolarHBondContact O-CG 3.22Å; T267-E271 PolarHBondContact O-N 2.94Å
268	V	90.6	Very high	90.7	Very high	66 Å²	66	81.2 Å²	81.2	40%	0.4	41%	0.413	S	S	.	.	H	α-helix	trans	-58.8	-40.2	177.6	173.5	0	0	0	0	111.2	R264 I265 K270 E271 N272	R264-V268 WeakPolarHBondContact O-CG2 3.18Å; R264-V268 PolarHBondContact O-N 2.89Å; I265-V268 PolarHBondContact O-N 3.3Å; V268-K270 VanDerWaalsContact C-N 3.28Å; V268-K270 PolarHBondContact O-N 3.36Å; V268-E271 PolarHBondContact O-N 3.37Å; V268-N272 WeakPolarHBondContact O-CB 3.21Å; V268-N272 PolarHBondContact O-N 3.47Å; V268-N272 PolarHBondContact O-ND2 3.03Å
269	K	92.3	Very high	91.5	Very high	136 Å²	136	78.9 Å²	78.9	59%	0.591	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-35.7	175	-174.3	171.9	-175.8	170.2	0	112.4	I265 T267 K273	I265-K269 VanDerWaalsContact O-CB 3.29Å; I265-K269 WeakPolarHBondContact O-CB 3.5Å; I265-K269 PolarHBondContact O-N 2.95Å; T267-K269 VanDerWaalsContact C-N 3.28Å; T267-K269 PolarHBondContact O-N 2.98Å; K269-K273 WeakPolarHBondContact O-CG 3.46Å; K269-K273 PolarHBondContact O-N 2.93Å
270	K	93.4	Very high	92.3	Very high	154 Å²	154	79.4 Å²	79.4	67%	0.67	41%	0.406	S	S	*	.	H	α-helix	trans	-73.1	-41.3	176.3	-175.3	-177.7	176.6	-176.4	0	111.6	A266 T267 V268 K273 V274	A266-K270 WeakPolarHBondContact O-CB 3.17Å; A266-K270 PolarHBondContact O-N 3.2Å; T267-K270 WeakPolarHBondContact O-CA 3.36Å; T267-K270 WeakPolarHBondContact O-CB 3.48Å; T267-K270 PolarHBondContact O-N 3.5Å; V268-K270 VanDerWaalsContact C-N 3.28Å; V268-K270 PolarHBondContact O-N 3.36Å; K270-K273 PolarHBondContact O-N 2.94Å; K270-V274 PolarHBondContact O-N 3.43Å
271	E	93.8	Very high	92.8	Very high	62 Å²	62	79.3 Å²	79.3	29%	0.29	41%	0.408	S	S	.	.	H	α-helix	trans	-63.2	-46.3	176.4	-66.6	178	166.9	0	0	111	T267 V268 K273 V274 L275 Y313 H316	T267-E271 HydrophobicContact CG2-CG 4.41Å; T267-E271 WeakPolarHBondContact O-CG 3.22Å; T267-E271 PolarHBondContact O-N 2.94Å; V268-E271 PolarHBondContact O-N 3.37Å; E271-K273 VanDerWaalsContact C-N 3.3Å; E271-K273 PolarHBondContact O-N 3.44Å; E271-V274 PolarHBondContact O-N 2.93Å; E271-L275 WeakPolarHBondContact O-CG 3.28Å; E271-L275 PolarHBondContact O-N 2.84Å; E271-Y313 HydrophobicContact CB-CD1 4.4Å; E271-Y313 HydrophobicContact CB-CE1 4.18Å; E271-Y313 HydrophobicContact CG-CD1 4.33Å; E271-Y313 HydrophobicContact CG-CE1 3.96Å; E271-H316 IonicContact OE2-CD2 2.94Å
272	N	94.8	Very high	93.4	Very high	46 Å²	46	74 Å²	74	25%	0.246	38%	0.383	C	S	.	.	H	α-helix	trans	-56.1	-43	174.8	-83.3	-38.5	0	0	0	112.2	V268 V274 L275 D276 H316 R318	V268-N272 WeakPolarHBondContact O-CB 3.21Å; V268-N272 PolarHBondContact O-N 3.47Å; V268-N272 PolarHBondContact O-ND2 3.03Å; N272-V274 VanDerWaalsContact C-N 3.26Å; N272-V274 PolarHBondContact O-N 2.88Å; N272-L275 CarbonylContact O-C 3.56Å; N272-L275 PolarHBondContact O-N 3.45Å; N272-L275 VanDerWaalsContact O-N 3.11Å; N272-D276 PolarHBondContact O-N 3.38Å; N272-D276 VanDerWaalsContact O-OD1 3.08Å; N272-H316 PolarHBondContact OD1-CE1 3.4Å; N272-H316 PolarHBondContact OD1-NE2 2.91Å; N272-R318 PolarHBondContact O-NH1 3.07Å; N272-R318 WeakPolarHBondContact OD1-CD 3.38Å; N272-R318 PolarHBondContact OD1-NH1 3.43Å
273	K	95.5	Very high	93.9	Very high	128 Å²	128	73.8 Å²	73.8	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	-60	-34.8	175.6	-76.6	-178.6	175.5	-162.7	0	113.8	K269 K270 E271 T277	K269-K273 WeakPolarHBondContact O-CG 3.46Å; K269-K273 PolarHBondContact O-N 2.93Å; K270-K273 PolarHBondContact O-N 2.94Å; E271-K273 VanDerWaalsContact C-N 3.3Å; E271-K273 PolarHBondContact O-N 3.44Å; K273-T277 PolarHBondContact O-N 2.92Å; K273-T277 PolarHBondContact O-OG1 3.27Å; K273-T277 VanDerWaalsContact O-OG1 3.13Å
274	V	95.6	Very high	94.4	Very high	49 Å²	49	70.5 Å²	70.5	30%	0.297	36%	0.364	S	S	.	.	H	α-helix	trans	-73	-39.7	176.6	178.1	0	0	0	0	110.2	K270 E271 N272 D276 T277 I278 Y313	K270-V274 PolarHBondContact O-N 3.43Å; E271-V274 PolarHBondContact O-N 2.93Å; N272-V274 VanDerWaalsContact C-N 3.26Å; N272-V274 PolarHBondContact O-N 2.88Å; V274-D276 VanDerWaalsContact C-N 3.34Å; V274-T277 PolarHBondContact O-N 3.37Å; V274-I278 HydrophobicContact CG1-CD1 4.19Å; V274-I278 WeakPolarHBondContact O-CG1 3.39Å; V274-I278 PolarHBondContact O-N 2.99Å; V274-Y313 HydrophobicContact CB-CE2 4.4Å; V274-Y313 HydrophobicContact CG1-CE2 3.76Å; V274-Y313 WeakPolarHBondContact CG1-OH 3.12Å
275	L	96.9	Very high	95.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65.5	-36.5	175.6	-66.4	172	0	0	0	112	E271 N272 T277 I278 E279 L310 Y313 H316 R318 L322	E271-L275 WeakPolarHBondContact O-CG 3.28Å; E271-L275 PolarHBondContact O-N 2.84Å; N272-L275 CarbonylContact O-C 3.56Å; N272-L275 PolarHBondContact O-N 3.45Å; N272-L275 VanDerWaalsContact O-N 3.11Å; L275-T277 VanDerWaalsContact C-N 3.32Å; L275-T277 PolarHBondContact O-N 2.92Å; L275-I278 HydrophobicContact CD2-CD1 4.24Å; L275-I278 WeakPolarHBondContact O-CB 3.48Å; L275-I278 PolarHBondContact O-N 3.43Å; L275-I278 VanDerWaalsContact O-N 3.13Å; L275-E279 WeakPolarHBondContact O-CB 3.39Å; L275-E279 PolarHBondContact O-N 3.34Å; L275-L310 HydrophobicContact CD2-CD1 3.96Å; L275-Y313 HydrophobicContact CD2-CD2 3.9Å; L275-Y313 HydrophobicContact CD2-CG 4.03Å; L275-H316 HydrophobicContact CD1-CB 4.34Å; L275-H316 WeakPolarHBondContact CD1-CE1 3.32Å; L275-H316 WeakPolarHBondContact CD1-ND1 3.24Å; L275-R318 HydrophobicContact CD1-CB 4.17Å; L275-L322 HydrophobicContact CB-CD1 3.9Å; L275-L322 HydrophobicContact CD2-CD1 3.86Å; L275-L322 HydrophobicContact CG-CD1 4.36Å
276	D	97.4	Very high	95.6	Very high	64 Å²	64	61.4 Å²	61.4	34%	0.342	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-42.3	172.4	-57.9	-20.3	0	0	0	110.7	N272 V274 I278 E279 E280 R318	N272-D276 PolarHBondContact O-N 3.38Å; N272-D276 VanDerWaalsContact O-OD1 3.08Å; V274-D276 VanDerWaalsContact C-N 3.34Å; D276-I278 VanDerWaalsContact C-N 3.33Å; D276-I278 PolarHBondContact O-N 2.94Å; D276-E279 PolarHBondContact O-N 3.48Å; D276-E280 WeakPolarHBondContact O-CB 3.42Å; D276-E280 VanDerWaalsContact O-CG 3.3Å; D276-E280 WeakPolarHBondContact O-CG 3.33Å; D276-E280 PolarHBondContact O-N 2.88Å; D276-R318 IonicContact OD1-CZ 3.64Å; D276-R318 IonicContact OD1-NH1 3.88Å; D276-R318 PolarHBondContact OD1-NH1 3.35Å; D276-R318 IonicContact OD1-NH2 2.67Å; D276-R318 PolarHBondContact OD1-NH2 3.47Å
277	T	97.5	Very high	95.9	Very high	85 Å²	85	61.7 Å²	61.7	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-67.1	-32.6	174.9	-56.1	0	0	0	0	112.8	K273 V274 L275 S281	K273-T277 PolarHBondContact O-N 2.92Å; K273-T277 PolarHBondContact O-OG1 3.27Å; K273-T277 VanDerWaalsContact O-OG1 3.13Å; V274-T277 PolarHBondContact O-N 3.37Å; L275-T277 VanDerWaalsContact C-N 3.32Å; L275-T277 PolarHBondContact O-N 2.92Å; T277-S281 WeakPolarHBondContact O-CB 3.49Å; T277-S281 PolarHBondContact O-N 3.33Å
278	I	97.1	Very high	96.2	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-68.8	-44.7	175.1	-73	166.6	0	0	0	110.2	V274 L275 D276 S281 I282 I306 E309 L310 Y313	V274-I278 HydrophobicContact CG1-CD1 4.19Å; V274-I278 WeakPolarHBondContact O-CG1 3.39Å; V274-I278 PolarHBondContact O-N 2.99Å; L275-I278 HydrophobicContact CD2-CD1 4.24Å; L275-I278 WeakPolarHBondContact O-CB 3.48Å; L275-I278 PolarHBondContact O-N 3.43Å; L275-I278 VanDerWaalsContact O-N 3.13Å; D276-I278 VanDerWaalsContact C-N 3.33Å; D276-I278 PolarHBondContact O-N 2.94Å; I278-S281 WeakPolarHBondContact O-CB 3.23Å; I278-S281 PolarHBondContact O-N 3.27Å; I278-I282 HydrophobicContact CG2-CD1 4.19Å; I278-I282 WeakPolarHBondContact O-CG1 3.26Å; I278-I282 PolarHBondContact O-N 3.01Å; I278-I306 HydrophobicContact CG2-CG2 3.95Å; I278-E309 HydrophobicContact CD1-CB 4.06Å; I278-E309 HydrophobicContact CG1-CB 4.47Å; I278-L310 HydrophobicContact CD1-CB 4.48Å; I278-L310 HydrophobicContact CG2-CB 4.48Å; I278-L310 HydrophobicContact CG2-CD1 4.38Å; I278-Y313 HydrophobicContact CD1-CE2 4.43Å
279	E	97.4	Very high	96.4	Very high	66 Å²	66	65 Å²	65	31%	0.308	33%	0.332	S	S	.	.	H	α-helix	trans	-58.1	-53.4	174.4	-165.7	171.2	161.3	0	0	110.6	L275 D276 S281 I282 D283 R318 L322	L275-E279 WeakPolarHBondContact O-CB 3.39Å; L275-E279 PolarHBondContact O-N 3.34Å; D276-E279 PolarHBondContact O-N 3.48Å; E279-S281 PolarHBondContact O-N 3.35Å; E279-S281 VanDerWaalsContact O-N 3.14Å; E279-I282 CarbonylContact O-C 3.59Å; E279-I282 WeakPolarHBondContact O-CA 3.28Å; E279-I282 WeakPolarHBondContact O-CB 3.44Å; E279-I282 PolarHBondContact O-N 2.68Å; E279-D283 PolarHBondContact O-N 3.39Å; E279-R318 IonicContact OE2-CZ 3.59Å; E279-R318 IonicContact OE2-NH2 2.69Å; E279-R318 PolarHBondContact OE2-NH2 3.5Å; E279-L322 HydrophobicContact CB-CD2 3.65Å; E279-L322 HydrophobicContact CG-CD2 3.73Å
280	E	97.5	Very high	96.6	Very high	128 Å²	128	65.9 Å²	65.9	60%	0.598	34%	0.338	S	S	*	.	H	α-helix	trans	-55.7	-36	174.4	-74.4	174.2	-175.9	0	0	112.3	D276 S284	D276-E280 WeakPolarHBondContact O-CB 3.42Å; D276-E280 VanDerWaalsContact O-CG 3.3Å; D276-E280 WeakPolarHBondContact O-CG 3.33Å; D276-E280 PolarHBondContact O-N 2.88Å; E280-S284 WeakPolarHBondContact O-CB 3.26Å; E280-S284 PolarHBondContact O-N 2.93Å
281	S	96.8	Very high	96.7	Very high	44 Å²	44	59.9 Å²	59.9	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-67.2	-40.6	175.7	-177.2	0	0	0	0	111.8	T277 I278 E279 S284 Y285	T277-S281 WeakPolarHBondContact O-CB 3.49Å; T277-S281 PolarHBondContact O-N 3.33Å; I278-S281 WeakPolarHBondContact O-CB 3.23Å; I278-S281 PolarHBondContact O-N 3.27Å; E279-S281 PolarHBondContact O-N 3.35Å; E279-S281 VanDerWaalsContact O-N 3.14Å; S281-S284 PolarHBondContact O-OG 2.89Å; S281-Y285 WeakPolarHBondContact O-CD2 3.37Å; S281-Y285 WeakPolarHBondContact O-CE2 3.36Å
282	I	98	Very high	96.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66	-51.4	175.8	-68.7	167.7	0	0	0	109.5	I278 E279 S284 Y285 Y286 I306 E325 L329	I278-I282 HydrophobicContact CG2-CD1 4.19Å; I278-I282 WeakPolarHBondContact O-CG1 3.26Å; I278-I282 PolarHBondContact O-N 3.01Å; E279-I282 CarbonylContact O-C 3.59Å; E279-I282 WeakPolarHBondContact O-CA 3.28Å; E279-I282 WeakPolarHBondContact O-CB 3.44Å; E279-I282 PolarHBondContact O-N 2.68Å; I282-S284 PolarHBondContact O-N 2.97Å; I282-S284 VanDerWaalsContact O-N 3.14Å; I282-Y285 WeakPolarHBondContact O-CB 3.23Å; I282-Y285 PolarHBondContact O-N 3.32Å; I282-Y286 HydrophobicContact CG2-CE2 3.86Å; I282-Y286 WeakPolarHBondContact O-CD2 3.49Å; I282-I306 HydrophobicContact CD1-CG2 4.15Å; I282-I306 HydrophobicContact CG1-CD1 4.46Å; I282-I306 HydrophobicContact CG1-CG2 3.89Å; I282-E325 HydrophobicContact CG2-CB 4.33Å; I282-L329 HydrophobicContact CG2-CD2 4.26Å
283	D	97.8	Very high	97.1	Very high	53 Å²	53	56.6 Å²	56.6	28%	0.283	30%	0.296	S	S	.	.	H	α-helix	trans	-51.7	-39.9	177.9	-68.9	-19.8	0	0	0	111.8	E279 Y285 Y286 H291	E279-D283 PolarHBondContact O-N 3.39Å; D283-Y285 PolarHBondContact O-N 2.98Å; D283-Y286 PolarHBondContact O-N 3.21Å; D283-H291 IonicContact OD1-CD2 3.35Å; D283-H291 IonicContact OD1-CE1 3.56Å; D283-H291 PolarHBondContact OD1-CE1 3.49Å; D283-H291 VanDerWaalsContact OD1-CE1 3.25Å; D283-H291 IonicContact OD1-NE2 3.71Å; D283-H291 PolarHBondContact OD1-NE2 2.87Å
284	S	97.4	Very high	97.2	Very high	46 Å²	46	50.6 Å²	50.6	32%	0.322	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.8	-179.1	89.4	0	0	0	0	113.6	E280 S281 I282 Y286 K298	E280-S284 WeakPolarHBondContact O-CB 3.26Å; E280-S284 PolarHBondContact O-N 2.93Å; S281-S284 PolarHBondContact O-OG 2.89Å; I282-S284 PolarHBondContact O-N 2.97Å; I282-S284 VanDerWaalsContact O-N 3.14Å; S284-Y286 VanDerWaalsContact C-N 3.32Å; S284-K298 VanDerWaalsContact C-NZ 3.32Å; S284-K298 WeakPolarHBondContact O-CD 3.46Å; S284-K298 WeakPolarHBondContact O-CE 3.3Å; S284-K298 PolarHBondContact O-NZ 3.24Å; S284-K298 PolarHBondContact OG-NZ 2.94Å
285	Y	98.2	Very high	97.3	Very high	23 Å²	23	50.4 Å²	50.4	9%	0.09	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.9	177.5	-77	-102.3	0	0	0	113.4	S281 I282 D283 L294 V295 K298 L301 T303 I306 L329	S281-Y285 WeakPolarHBondContact O-CD2 3.37Å; S281-Y285 WeakPolarHBondContact O-CE2 3.36Å; I282-Y285 WeakPolarHBondContact O-CB 3.23Å; I282-Y285 PolarHBondContact O-N 3.32Å; D283-Y285 PolarHBondContact O-N 2.98Å; Y285-L294 CarbonylContact O-C 3.55Å; Y285-L294 VanDerWaalsContact O-CA 3.26Å; Y285-L294 WeakPolarHBondContact O-CA 3.37Å; Y285-V295 PolarHBondContact O-N 3.03Å; Y285-K298 HydrophobicContact CD1-CB 3.62Å; Y285-K298 HydrophobicContact CD1-CD 4.32Å; Y285-K298 HydrophobicContact CE1-CB 3.9Å; Y285-K298 WeakPolarHBondContact CE1-O 3.36Å; Y285-K298 HydrophobicContact CG-CB 4.34Å; Y285-K298 HydrophobicContact CG-CD 4.31Å; Y285-L301 HydrophobicContact CE1-CB 4.08Å; Y285-T303 HydrophobicContact CD1-CG2 4.06Å; Y285-T303 HydrophobicContact CE1-CG2 3.44Å; Y285-T303 VanDerWaalsContact CE1-CG2 3.44Å; Y285-T303 HydrophobicContact CE2-CG2 4.09Å; Y285-T303 VanDerWaalsContact CZ-CG2 3.47Å; Y285-I306 HydrophobicContact CE2-CD1 3.97Å; Y285-L329 VanDerWaalsContact CB-CD1 3.48Å; Y285-L329 HydrophobicContact CD1-CD1 4.12Å; Y285-L329 HydrophobicContact CD1-CD2 4.43Å; Y285-L329 HydrophobicContact CD2-CD2 3.97Å; Y285-L329 HydrophobicContact CG-CD1 3.9Å; Y285-L329 HydrophobicContact CG-CD2 3.89Å
286	Y	98.4	Very high	97.3	Very high	10 Å²	10	52 Å²	52	4%	0.039	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-99.4	155.7	-178	-64.5	-75.9	0	0	0	112.1	I282 D283 S284 D288 H291 F293 L294 V295 L329 K332	I282-Y286 HydrophobicContact CG2-CE2 3.86Å; I282-Y286 WeakPolarHBondContact O-CD2 3.49Å; D283-Y286 PolarHBondContact O-N 3.21Å; S284-Y286 VanDerWaalsContact C-N 3.32Å; Y286-D288 VanDerWaalsContact C-N 3.26Å; Y286-D288 WeakPolarHBondContact CB-O 3.4Å; Y286-H291 VanDerWaalsContact CD1-C 3.4Å; Y286-H291 VanDerWaalsContact CD1-CA 3.41Å; Y286-H291 HydrophobicContact CD1-CB 3.84Å; Y286-H291 VanDerWaalsContact CD1-O 3.26Å; Y286-H291 WeakPolarHBondContact CD1-O 3.48Å; Y286-H291 HydrophobicContact CD2-CB 3.91Å; Y286-H291 AromaticContact CD2-CD2 3.28Å; Y286-H291 WeakPolarHBondContact CD2-CD2 3.46Å; Y286-H291 AromaticContact CD2-CG 3.56Å; Y286-H291 AromaticContact CD2-NE2 3.86Å; Y286-H291 HydrophobicContact CE1-CB 3.78Å; Y286-H291 WeakPolarHBondContact CE1-O 3.2Å; Y286-H291 HydrophobicContact CE2-CB 3.82Å; Y286-H291 AromaticContact CE2-CD2 3.79Å; Y286-H291 AromaticContact CE2-CG 3.59Å; Y286-H291 AromaticContact CE2-ND1 3.94Å; Y286-H291 HydrophobicContact CG-CB 3.89Å; Y286-H291 AromaticContact CG-CD2 3.68Å; Y286-H291 AromaticContact CG-CG 3.96Å; Y286-F293 CarbonylContact C-O 3.58Å; Y286-F293 VanDerWaalsContact CA-O 3.28Å; Y286-F293 WeakPolarHBondContact CA-O 3.17Å; Y286-L294 HydrophobicContact CD1-CD2 3.71Å; Y286-L294 HydrophobicContact CE1-CD2 3.57Å; Y286-V295 VanDerWaalsContact O-CG2 3.22Å; Y286-V295 WeakPolarHBondContact O-CG2 3.11Å; Y286-L329 HydrophobicContact CE2-CB 4.36Å; Y286-L329 HydrophobicContact CE2-CD1 4.38Å; Y286-L329 WeakPolarHBondContact OH-CA 3.39Å; Y286-L329 WeakPolarHBondContact OH-CB 3.35Å; Y286-L329 PolarHBondContact OH-N 2.75Å; Y286-K332 HydrophobicContact CE1-CD 4.08Å
287	T	97.7	Very high	97.2	Very high	62 Å²	62	54.6 Å²	54.6	38%	0.38	30%	0.296	S	S	.	.	S	Bend	trans	-73.2	-22.3	177.1	52.8	0	0	0	0	113.1	F293	T287-F293 HydrophobicContact CG2-CB 4.15Å; T287-F293 PolarHBondContact N-O 3.46Å; T287-F293 PolarHBondContact OG1-O 3.21Å
288	D	95.9	Very high	97.2	Very high	64 Å²	64	53 Å²	53	34%	0.342	28%	0.282	S	S	.	.	S	Bend	trans	-160.6	173.1	-174	53.7	59.9	0	0	0	110.9	Y286 Q290 H291	Y286-D288 VanDerWaalsContact C-N 3.26Å; Y286-D288 WeakPolarHBondContact CB-O 3.4Å; D288-Q290 PolarHBondContact O-N 2.9Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.39Å; D288-Q290 VanDerWaalsContact OD1-CB 3.29Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.43Å; D288-Q290 PolarHBondContact OD1-N 2.94Å; D288-H291 PolarHBondContact O-N 3.46Å
289	D	95.1	Very high	97.2	Very high	144 Å²	144	53 Å²	53	77%	0.77	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.1	-178.1	-50	-24.7	0	0	0	113.4
290	Q	95.5	Very high	97.1	Very high	154 Å²	154	55.1 Å²	55.1	72%	0.72	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.4	173.1	-57.5	-60	-76	0	0	111.8	D288 T292	D288-Q290 PolarHBondContact O-N 2.9Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.39Å; D288-Q290 VanDerWaalsContact OD1-CB 3.29Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.43Å; D288-Q290 PolarHBondContact OD1-N 2.94Å; Q290-T292 PolarHBondContact O-N 3.01Å; Q290-T292 VanDerWaalsContact O-N 3.14Å
291	H	96.9	Very high	97.1	Very high	28 Å²	28	53.1 Å²	53.1	13%	0.13	29%	0.288	C	S	.	.			trans	55.7	26.4	-177.6	-64.6	172.7	0	0	0	113.6	D283 Y286 D288 K332	D283-H291 IonicContact OD1-CD2 3.35Å; D283-H291 IonicContact OD1-CE1 3.56Å; D283-H291 PolarHBondContact OD1-CE1 3.49Å; D283-H291 VanDerWaalsContact OD1-CE1 3.25Å; D283-H291 IonicContact OD1-NE2 3.71Å; D283-H291 PolarHBondContact OD1-NE2 2.87Å; Y286-H291 VanDerWaalsContact CD1-C 3.4Å; Y286-H291 VanDerWaalsContact CD1-CA 3.41Å; Y286-H291 HydrophobicContact CD1-CB 3.84Å; Y286-H291 VanDerWaalsContact CD1-O 3.26Å; Y286-H291 WeakPolarHBondContact CD1-O 3.48Å; Y286-H291 HydrophobicContact CD2-CB 3.91Å; Y286-H291 AromaticContact CD2-CD2 3.28Å; Y286-H291 WeakPolarHBondContact CD2-CD2 3.46Å; Y286-H291 AromaticContact CD2-CG 3.56Å; Y286-H291 AromaticContact CD2-NE2 3.86Å; Y286-H291 HydrophobicContact CE1-CB 3.78Å; Y286-H291 WeakPolarHBondContact CE1-O 3.2Å; Y286-H291 HydrophobicContact CE2-CB 3.82Å; Y286-H291 AromaticContact CE2-CD2 3.79Å; Y286-H291 AromaticContact CE2-CG 3.59Å; Y286-H291 AromaticContact CE2-ND1 3.94Å; Y286-H291 HydrophobicContact CG-CB 3.89Å; Y286-H291 AromaticContact CG-CD2 3.68Å; Y286-H291 AromaticContact CG-CG 3.96Å; D288-H291 PolarHBondContact O-N 3.46Å; H291-K332 PolarHBondContact O-NZ 3.37Å
292	T	97.8	Very high	97	Very high	16 Å²	16	57.4 Å²	57.4	10%	0.098	31%	0.308	C	S	.	.			trans	-75.6	-54.4	-174.9	-52.4	0	0	0	0	111.7	Q290 K332 E375 F376	Q290-T292 PolarHBondContact O-N 3.01Å; Q290-T292 VanDerWaalsContact O-N 3.14Å; T292-K332 PolarHBondContact O-NZ 3.43Å; T292-E375 HydrophobicContact CG2-CB 3.68Å; T292-F376 WeakPolarHBondContact O-CD2 3.33Å
293	F	98.5	Very high	96.9	Very high	23 Å²	23	57.8 Å²	57.8	10%	0.101	31%	0.31	C	S	.	.	S	Bend	trans	-117.8	151.5	-173.5	-59.4	-77.6	0	0	0	112.3	Y286 T287 N351 E375 F376 L379	Y286-F293 CarbonylContact C-O 3.58Å; Y286-F293 VanDerWaalsContact CA-O 3.28Å; Y286-F293 WeakPolarHBondContact CA-O 3.17Å; T287-F293 HydrophobicContact CG2-CB 4.15Å; T287-F293 PolarHBondContact N-O 3.46Å; T287-F293 PolarHBondContact OG1-O 3.21Å; F293-N351 HydrophobicContact CB-CB 4.36Å; F293-N351 HydrophobicContact CD1-CB 4.24Å; F293-N351 HydrophobicContact CD2-CB 3.47Å; F293-N351 VanDerWaalsContact CD2-CB 3.47Å; F293-N351 HydrophobicContact CE1-CB 4.45Å; F293-N351 HydrophobicContact CE2-CB 3.71Å; F293-N351 HydrophobicContact CG-CB 3.76Å; F293-N351 HydrophobicContact CZ-CB 4.2Å; F293-E375 HydrophobicContact CZ-CB 4.08Å; F293-F376 HydrophobicContact CD1-CD2 4.32Å; F293-L379 HydrophobicContact CD1-CD2 3.76Å; F293-L379 HydrophobicContact CE1-CB 3.98Å; F293-L379 HydrophobicContact CE1-CD2 3.52Å; F293-L379 HydrophobicContact CE1-CG 4.4Å
294	L	98.5	Very high	96.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-91.7	147.1	-178.4	-58.9	179.1	0	0	0	112.1	Y285 Y286 A296 V299 L329 K332 Q333 G350	Y285-L294 CarbonylContact O-C 3.55Å; Y285-L294 VanDerWaalsContact O-CA 3.26Å; Y285-L294 WeakPolarHBondContact O-CA 3.37Å; Y286-L294 HydrophobicContact CD1-CD2 3.71Å; Y286-L294 HydrophobicContact CE1-CD2 3.57Å; L294-A296 PolarHBondContact O-N 3.05Å; L294-V299 HydrophobicContact CB-CG2 3.94Å; L294-V299 HydrophobicContact CD1-CG2 4.3Å; L294-L329 HydrophobicContact CD2-CD1 3.55Å; L294-K332 HydrophobicContact CD1-CB 4.03Å; L294-K332 HydrophobicContact CD2-CB 4.44Å; L294-K332 HydrophobicContact CG-CB 4.35Å; L294-Q333 HydrophobicContact CD1-CB 4.36Å; L294-Q333 HydrophobicContact CD1-CG 3.79Å; L294-G350 VanDerWaalsContact O-CA 3.29Å; L294-G350 WeakPolarHBondContact O-CA 3.41Å
295	V	98	Very high	96.7	Very high	45 Å²	45	61.2 Å²	61.2	27%	0.273	32%	0.322	S	S	.	.			trans	-68.4	124	169.2	-168.2	0	0	0	0	108.9	Y285 Y286 D297 K298 V299	Y285-V295 PolarHBondContact O-N 3.03Å; Y286-V295 VanDerWaalsContact O-CG2 3.22Å; Y286-V295 WeakPolarHBondContact O-CG2 3.11Å; V295-D297 VanDerWaalsContact C-N 3.29Å; V295-D297 WeakPolarHBondContact CG1-OD1 3.35Å; V295-D297 PolarHBondContact O-N 3.36Å; V295-D297 VanDerWaalsContact O-N 3.14Å; V295-K298 HydrophobicContact CB-CB 4.39Å; V295-K298 HydrophobicContact CB-CD 4.27Å; V295-K298 HydrophobicContact CB-CG 4.29Å; V295-K298 WeakPolarHBondContact O-CB 3.5Å; V295-K298 PolarHBondContact O-N 3.45Å; V295-V299 PolarHBondContact O-N 3.37Å
296	A	96.2	Very high	96.7	Very high	33 Å²	33	60.6 Å²	60.6	27%	0.273	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.6	-167.7	0	0	0	0	0	115	L294 K298 N349	L294-A296 PolarHBondContact O-N 3.05Å; A296-K298 VanDerWaalsContact C-N 3.27Å; A296-K298 PolarHBondContact O-N 3.42Å; A296-N349 HydrophobicContact CB-CB 4.23Å; A296-N349 WeakPolarHBondContact CB-OD1 3.4Å
297	D	95.8	Very high	96.6	Very high	120 Å²	120	62.5 Å²	62.5	64%	0.642	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-11.8	179	67.8	-22.6	0	0	0	113.4	V295	V295-D297 VanDerWaalsContact C-N 3.29Å; V295-D297 WeakPolarHBondContact CG1-OD1 3.35Å; V295-D297 PolarHBondContact O-N 3.36Å; V295-D297 VanDerWaalsContact O-N 3.14Å
298	K	96.6	Very high	96.5	Very high	51 Å²	51	65.9 Å²	65.9	22%	0.222	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-13.6	179.9	-64.1	-171.4	174	-174.8	0	114.5	S284 Y285 V295 A296 N300 L301 Q333	S284-K298 VanDerWaalsContact C-NZ 3.32Å; S284-K298 WeakPolarHBondContact O-CD 3.46Å; S284-K298 WeakPolarHBondContact O-CE 3.3Å; S284-K298 PolarHBondContact O-NZ 3.24Å; S284-K298 PolarHBondContact OG-NZ 2.94Å; Y285-K298 HydrophobicContact CD1-CB 3.62Å; Y285-K298 HydrophobicContact CD1-CD 4.32Å; Y285-K298 HydrophobicContact CE1-CB 3.9Å; Y285-K298 WeakPolarHBondContact CE1-O 3.36Å; Y285-K298 HydrophobicContact CG-CB 4.34Å; Y285-K298 HydrophobicContact CG-CD 4.31Å; V295-K298 HydrophobicContact CB-CB 4.39Å; V295-K298 HydrophobicContact CB-CD 4.27Å; V295-K298 HydrophobicContact CB-CG 4.29Å; V295-K298 WeakPolarHBondContact O-CB 3.5Å; V295-K298 PolarHBondContact O-N 3.45Å; A296-K298 VanDerWaalsContact C-N 3.27Å; A296-K298 PolarHBondContact O-N 3.42Å; K298-N300 PolarHBondContact O-N 2.98Å; K298-N300 VanDerWaalsContact O-N 3.17Å; K298-L301 HydrophobicContact CB-CD1 4.15Å; K298-L301 HydrophobicContact CG-CD1 3.94Å; K298-L301 WeakPolarHBondContact O-CB 3.42Å; K298-L301 PolarHBondContact O-N 3.25Å; K298-Q333 PolarHBondContact O-NE2 2.87Å
299	V	97.2	Very high	96.5	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.006	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-38.2	-177.8	175.5	0	0	0	0	112.3	L294 V295 Q333 E336 Q337	L294-V299 HydrophobicContact CB-CG2 3.94Å; L294-V299 HydrophobicContact CD1-CG2 4.3Å; V295-V299 PolarHBondContact O-N 3.37Å; V299-Q333 PolarHBondContact O-NE2 3Å; V299-E336 HydrophobicContact CG1-CB 4.05Å; V299-E336 HydrophobicContact CG1-CG 3.94Å; V299-E336 VanDerWaalsContact CG2-CD 3.47Å; V299-E336 HydrophobicContact CG2-CG 4.43Å; V299-E336 WeakPolarHBondContact CG2-OE1 3.4Å; V299-Q337 HydrophobicContact CG1-CG 3.95Å; V299-Q337 PolarHBondContact O-NE2 3.08Å
300	N	95.9	Very high	96.6	Very high	111 Å²	111	60.3 Å²	60.3	59%	0.594	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	2.6	-177.6	-63	-53.8	0	0	0	114	K298	K298-N300 PolarHBondContact O-N 2.98Å; K298-N300 VanDerWaalsContact O-N 3.17Å
301	L	96.7	Very high	96.7	Very high	86 Å²	86	54.7 Å²	54.7	45%	0.45	29%	0.287	S	S	.	.	S	Bend	trans	-80	140.4	179.3	-60.4	-179	0	0	0	110.8	Y285 K298 T303 Q333	Y285-L301 HydrophobicContact CE1-CB 4.08Å; K298-L301 HydrophobicContact CB-CD1 4.15Å; K298-L301 HydrophobicContact CG-CD1 3.94Å; K298-L301 WeakPolarHBondContact O-CB 3.42Å; K298-L301 PolarHBondContact O-N 3.25Å; L301-T303 PolarHBondContact O-N 2.96Å; L301-Q333 PolarHBondContact O-NE2 2.96Å
302	N	95	Very high	96.7	Very high	135 Å²	135	60.3 Å²	60.3	72%	0.722	31%	0.312	S	S	*	.			trans	-72.2	114.6	178.7	-178.2	0.7	0	0	0	110.9	G304	N302-G304 PolarHBondContact OD1-N 2.9Å
303	T	96.5	Very high	96.6	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.043	32%	0.316	C	S	.	.			trans	-92.1	0.5	177.8	49.4	0	0	0	0	113.5	Y285 L301 K305 I306 Y326 L329 Q333	Y285-T303 HydrophobicContact CD1-CG2 4.06Å; Y285-T303 HydrophobicContact CE1-CG2 3.44Å; Y285-T303 VanDerWaalsContact CE1-CG2 3.44Å; Y285-T303 HydrophobicContact CE2-CG2 4.09Å; Y285-T303 VanDerWaalsContact CZ-CG2 3.47Å; L301-T303 PolarHBondContact O-N 2.96Å; T303-K305 PolarHBondContact O-N 2.94Å; T303-K305 VanDerWaalsContact O-N 3.13Å; T303-I306 HydrophobicContact CG2-CD1 4.26Å; T303-I306 WeakPolarHBondContact O-CB 3.4Å; T303-I306 PolarHBondContact O-N 3.03Å; T303-Y326 VanDerWaalsContact O-CE2 3.28Å; T303-Y326 WeakPolarHBondContact O-CE2 3.24Å; T303-Y326 PolarHBondContact O-OH 3.03Å; T303-L329 HydrophobicContact CG2-CD2 4.01Å; T303-L329 HydrophobicContact CG2-CG 4.45Å; T303-Q333 PolarHBondContact OG1-OE1 3.44Å
304	G	95.6	Very high	96.4	Very high	20 Å²	20	66.5 Å²	66.5	21%	0.206	34%	0.336	C	S	.	.	H	α-helix	trans	-58.2	-29.4	-177	0	0	0	0	0	114.6	N302 I306 D307 E308	N302-G304 PolarHBondContact OD1-N 2.9Å; G304-I306 VanDerWaalsContact C-N 3.25Å; G304-I306 PolarHBondContact O-N 3.2Å; G304-D307 PolarHBondContact O-N 3.39Å; G304-E308 WeakPolarHBondContact O-CG 3.39Å; G304-E308 PolarHBondContact O-N 3.2Å; G304-E308 VanDerWaalsContact O-N 3.08Å
305	K	95.4	Very high	96.2	Very high	152 Å²	152	74.6 Å²	74.6	66%	0.661	38%	0.38	S	S	*	.	H	α-helix	trans	-62.5	-32	174.5	-71	-173.4	178.4	179.5	0	113.1	T303 E308 E309	T303-K305 PolarHBondContact O-N 2.94Å; T303-K305 VanDerWaalsContact O-N 3.13Å; K305-E308 PolarHBondContact O-N 3.35Å; K305-E309 WeakPolarHBondContact O-CB 2.97Å; K305-E309 WeakPolarHBondContact O-CG 3.23Å; K305-E309 PolarHBondContact O-N 2.97Å
306	I	96.8	Very high	96.1	Very high	10 Å²	10	73.9 Å²	73.9	5%	0.051	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-45.3	178.4	-56.1	176.9	0	0	0	109.2	I278 I282 Y285 T303 G304 E308 E309 L310 Y326	I278-I306 HydrophobicContact CG2-CG2 3.95Å; I282-I306 HydrophobicContact CD1-CG2 4.15Å; I282-I306 HydrophobicContact CG1-CD1 4.46Å; I282-I306 HydrophobicContact CG1-CG2 3.89Å; Y285-I306 HydrophobicContact CE2-CD1 3.97Å; T303-I306 HydrophobicContact CG2-CD1 4.26Å; T303-I306 WeakPolarHBondContact O-CB 3.4Å; T303-I306 PolarHBondContact O-N 3.03Å; G304-I306 VanDerWaalsContact C-N 3.25Å; G304-I306 PolarHBondContact O-N 3.2Å; I306-E308 PolarHBondContact O-N 3.31Å; I306-E309 PolarHBondContact O-N 3.26Å; I306-L310 WeakPolarHBondContact O-CB 3.45Å; I306-L310 PolarHBondContact O-N 3.12Å; I306-Y326 HydrophobicContact CB-CD2 3.84Å; I306-Y326 HydrophobicContact CB-CE2 3.8Å; I306-Y326 HydrophobicContact CG2-CD2 3.65Å; I306-Y326 HydrophobicContact CG2-CE2 4.16Å
307	D	96.4	Very high	96	Very high	49 Å²	49	82.1 Å²	82.1	26%	0.262	40%	0.403	S	S	.	.	H	α-helix	trans	-62.6	-40.9	175.9	-166.5	49.4	0	0	0	112.6	G304 S311 K323 Y326	G304-D307 PolarHBondContact O-N 3.39Å; D307-S311 WeakPolarHBondContact O-CB 3.39Å; D307-S311 PolarHBondContact O-N 3.34Å; D307-S311 PolarHBondContact O-OG 3.27Å; D307-K323 IonicContact OD1-NZ 2.75Å; D307-K323 PolarHBondContact OD1-NZ 3.2Å; D307-Y326 HydrophobicContact CB-CD1 4.25Å; D307-Y326 HydrophobicContact CB-CE1 3.56Å; D307-Y326 HydrophobicContact CB-CE2 4.19Å
308	E	96.6	Very high	96	Very high	133 Å²	133	78.9 Å²	78.9	62%	0.621	38%	0.381	S	S	*	.	H	α-helix	trans	-62.2	-42.1	176.6	-73.6	177.1	-168.7	0	0	111.9	G304 K305 I306	G304-E308 WeakPolarHBondContact O-CG 3.39Å; G304-E308 PolarHBondContact O-N 3.2Å; G304-E308 VanDerWaalsContact O-N 3.08Å; K305-E308 PolarHBondContact O-N 3.35Å; I306-E308 PolarHBondContact O-N 3.31Å
309	E	96.1	Very high	96	Very high	92 Å²	92	77.8 Å²	77.8	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-72.1	-44.7	177.7	-73.1	-176	172.4	0	0	112	I278 K305 I306 S311 K312 Y313	I278-E309 HydrophobicContact CD1-CB 4.06Å; I278-E309 HydrophobicContact CG1-CB 4.47Å; K305-E309 WeakPolarHBondContact O-CB 2.97Å; K305-E309 WeakPolarHBondContact O-CG 3.23Å; K305-E309 PolarHBondContact O-N 2.97Å; I306-E309 PolarHBondContact O-N 3.26Å; E309-S311 VanDerWaalsContact C-N 3.31Å; E309-S311 PolarHBondContact O-N 2.86Å; E309-K312 WeakPolarHBondContact O-CB 3.5Å; E309-K312 PolarHBondContact O-N 3.21Å; E309-Y313 WeakPolarHBondContact O-CD2 3.43Å
310	L	96.8	Very high	96	Very high	0 Å²	0	83.7 Å²	83.7	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-63	-37.3	177.9	-176.6	58.6	0	0	0	111.9	L275 I278 I306 K312 Y313 Y319 L322 K323	L275-L310 HydrophobicContact CD2-CD1 3.96Å; I278-L310 HydrophobicContact CD1-CB 4.48Å; I278-L310 HydrophobicContact CG2-CB 4.48Å; I278-L310 HydrophobicContact CG2-CD1 4.38Å; I306-L310 WeakPolarHBondContact O-CB 3.45Å; I306-L310 PolarHBondContact O-N 3.12Å; L310-K312 PolarHBondContact O-N 3.41Å; L310-Y313 PolarHBondContact O-N 3.37Å; L310-Y319 HydrophobicContact CD1-CD2 3.93Å; L310-Y319 HydrophobicContact CD1-CE2 4.41Å; L310-Y319 HydrophobicContact CG-CD2 3.9Å; L310-Y319 HydrophobicContact CG-CE2 3.87Å; L310-Y319 WeakPolarHBondContact O-CD2 3.38Å; L310-Y319 WeakPolarHBondContact O-CE2 3.39Å; L310-L322 HydrophobicContact CD1-CB 3.85Å; L310-L322 HydrophobicContact CD1-CD1 4.29Å; L310-L322 HydrophobicContact CD2-CB 4.15Å; L310-K323 HydrophobicContact CD2-CB 3.93Å; L310-K323 HydrophobicContact CD2-CD 4.15Å
311	S	96.7	Very high	96.1	Very high	35 Å²	35	84.6 Å²	84.6	25%	0.245	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-60.5	-15	176.9	-78.3	0	0	0	0	114.9	D307 E309 Y313 K314	D307-S311 WeakPolarHBondContact O-CB 3.39Å; D307-S311 PolarHBondContact O-N 3.34Å; D307-S311 PolarHBondContact O-OG 3.27Å; E309-S311 VanDerWaalsContact C-N 3.31Å; E309-S311 PolarHBondContact O-N 2.86Å; S311-Y313 PolarHBondContact O-N 3.21Å; S311-K314 WeakPolarHBondContact O-CE 3.41Å; S311-K314 WeakPolarHBondContact O-CG 3.43Å
312	K	97	Very high	96.1	Very high	147 Å²	147	80.6 Å²	80.6	64%	0.639	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-75.1	-13.9	174.6	-62.1	168.6	-171.4	162.7	0	112.7	E309 L310	E309-K312 WeakPolarHBondContact O-CB 3.5Å; E309-K312 PolarHBondContact O-N 3.21Å; L310-K312 PolarHBondContact O-N 3.41Å
313	Y	95.8	Very high	96.3	Very high	46 Å²	46	76 Å²	76	18%	0.18	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-118	27.3	-173.3	-57.2	-76.8	0	0	0	113	E271 V274 L275 I278 E309 L310 S311 D315 H316 Y319	E271-Y313 HydrophobicContact CB-CD1 4.4Å; E271-Y313 HydrophobicContact CB-CE1 4.18Å; E271-Y313 HydrophobicContact CG-CD1 4.33Å; E271-Y313 HydrophobicContact CG-CE1 3.96Å; V274-Y313 HydrophobicContact CB-CE2 4.4Å; V274-Y313 HydrophobicContact CG1-CE2 3.76Å; V274-Y313 WeakPolarHBondContact CG1-OH 3.12Å; L275-Y313 HydrophobicContact CD2-CD2 3.9Å; L275-Y313 HydrophobicContact CD2-CG 4.03Å; I278-Y313 HydrophobicContact CD1-CE2 4.43Å; E309-Y313 WeakPolarHBondContact O-CD2 3.43Å; L310-Y313 PolarHBondContact O-N 3.37Å; S311-Y313 PolarHBondContact O-N 3.21Å; Y313-D315 PolarHBondContact O-N 3.01Å; Y313-H316 WeakPolarHBondContact O-CB 3.42Å; Y313-H316 PolarHBondContact O-N 3.43Å; Y313-Y319 WeakPolarHBondContact O-CB 3.31Å
314	K	95.8	Very high	96.4	Very high	122 Å²	122	81.8 Å²	81.8	53%	0.53	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-26.1	-177.7	-76.2	174.5	-177.7	-173.8	0	115.6	S311 Y319	S311-K314 WeakPolarHBondContact O-CE 3.41Å; S311-K314 WeakPolarHBondContact O-CG 3.43Å; K314-Y319 HydrophobicContact CB-CE1 4.46Å; K314-Y319 HydrophobicContact CG-CD2 4.34Å; K314-Y319 HydrophobicContact CG-CE1 4.02Å; K314-Y319 HydrophobicContact CG-CE2 3.76Å
315	D	94	Very high	96.4	Very high	172 Å²	172	82.4 Å²	82.4	92%	0.92	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	0.4	179.4	-59.5	-48.1	0	0	0	112.8	Y313	Y313-D315 PolarHBondContact O-N 3.01Å
316	H	94.3	Very high	96.6	Very high	30 Å²	30	75.9 Å²	75.9	14%	0.139	36%	0.355	C	S	.	.	S	Bend	trans	-85.9	142.2	-179.7	-168.6	-86.6	0	0	0	111.5	E271 N272 L275 Y313 R318 Y319	E271-H316 IonicContact OE2-CD2 2.94Å; N272-H316 PolarHBondContact OD1-CE1 3.4Å; N272-H316 PolarHBondContact OD1-NE2 2.91Å; L275-H316 HydrophobicContact CD1-CB 4.34Å; L275-H316 WeakPolarHBondContact CD1-CE1 3.32Å; L275-H316 WeakPolarHBondContact CD1-ND1 3.24Å; Y313-H316 WeakPolarHBondContact O-CB 3.42Å; Y313-H316 PolarHBondContact O-N 3.43Å; H316-R318 VanDerWaalsContact C-N 3.27Å; H316-R318 PolarHBondContact ND1-N 3.39Å; H316-R318 PolarHBondContact O-N 2.9Å; H316-R318 VanDerWaalsContact O-N 3.16Å; H316-Y319 WeakPolarHBondContact O-CB 3.43Å; H316-Y319 PolarHBondContact O-N 3.21Å
317	K	94.2	Very high	96.6	Very high	205 Å²	205	78.4 Å²	78.4	89%	0.891	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.7	-174.6	-172.6	-176.5	174.6	-168.2	0	114.4	Y319	K317-Y319 VanDerWaalsContact C-N 3.34Å
318	R	96	Very high	96.7	Very high	52 Å²	52	79.3 Å²	79.3	20%	0.196	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.1	178.5	-71	169.8	64.2	-168.8	6.6	114.3	N272 L275 D276 E279 H316 L322	N272-R318 PolarHBondContact O-NH1 3.07Å; N272-R318 WeakPolarHBondContact OD1-CD 3.38Å; N272-R318 PolarHBondContact OD1-NH1 3.43Å; L275-R318 HydrophobicContact CD1-CB 4.17Å; D276-R318 IonicContact OD1-CZ 3.64Å; D276-R318 IonicContact OD1-NH1 3.88Å; D276-R318 PolarHBondContact OD1-NH1 3.35Å; D276-R318 IonicContact OD1-NH2 2.67Å; D276-R318 PolarHBondContact OD1-NH2 3.47Å; E279-R318 IonicContact OE2-CZ 3.59Å; E279-R318 IonicContact OE2-NH2 2.69Å; E279-R318 PolarHBondContact OE2-NH2 3.5Å; H316-R318 VanDerWaalsContact C-N 3.27Å; H316-R318 PolarHBondContact ND1-N 3.39Å; H316-R318 PolarHBondContact O-N 2.9Å; H316-R318 VanDerWaalsContact O-N 3.16Å; R318-L322 HydrophobicContact CB-CD1 4.33Å; R318-L322 PolarHBondContact O-N 3.02Å
319	Y	97.1	Very high	96.8	Very high	29 Å²	29	73 Å²	73	11%	0.114	34%	0.341	C	S	.	.	H	α-helix	trans	-61.5	-48.4	-174.5	172.4	-101.4	0	0	0	112.5	L310 Y313 K314 H316 K317 E321 L322 K323	L310-Y319 HydrophobicContact CD1-CD2 3.93Å; L310-Y319 HydrophobicContact CD1-CE2 4.41Å; L310-Y319 HydrophobicContact CG-CD2 3.9Å; L310-Y319 HydrophobicContact CG-CE2 3.87Å; L310-Y319 WeakPolarHBondContact O-CD2 3.38Å; L310-Y319 WeakPolarHBondContact O-CE2 3.39Å; Y313-Y319 WeakPolarHBondContact O-CB 3.31Å; K314-Y319 HydrophobicContact CB-CE1 4.46Å; K314-Y319 HydrophobicContact CG-CD2 4.34Å; K314-Y319 HydrophobicContact CG-CE1 4.02Å; K314-Y319 HydrophobicContact CG-CE2 3.76Å; H316-Y319 WeakPolarHBondContact O-CB 3.43Å; H316-Y319 PolarHBondContact O-N 3.21Å; K317-Y319 VanDerWaalsContact C-N 3.34Å; Y319-E321 VanDerWaalsContact C-N 3.3Å; Y319-E321 PolarHBondContact O-N 3.29Å; Y319-L322 PolarHBondContact O-N 3.45Å; Y319-K323 HydrophobicContact CE1-CB 4.36Å; Y319-K323 HydrophobicContact CE1-CG 4.42Å; Y319-K323 HydrophobicContact CE2-CB 4.36Å; Y319-K323 WeakPolarHBondContact O-CB 3.49Å; Y319-K323 PolarHBondContact O-N 2.8Å
320	D	97.9	Very high	96.8	Very high	125 Å²	125	69.3 Å²	69.3	67%	0.668	33%	0.326	S	S	*	.	H	α-helix	trans	-62.7	-37.9	-173.7	-67.4	-28.2	0	0	0	112.2	K324	D320-K324 WeakPolarHBondContact O-CB 3.4Å; D320-K324 PolarHBondContact O-N 2.92Å; D320-K324 VanDerWaalsContact O-N 3.1Å
321	E	97.4	Very high	96.9	Very high	129 Å²	129	73.3 Å²	73.3	60%	0.603	35%	0.347	S	S	*	.	H	α-helix	trans	-69.8	-54.6	178.4	-175.1	167.3	-148.5	0	0	111.6	Y319 K323 K324 E325	Y319-E321 VanDerWaalsContact C-N 3.3Å; Y319-E321 PolarHBondContact O-N 3.29Å; E321-K323 PolarHBondContact O-N 3.05Å; E321-K324 WeakPolarHBondContact O-CA 3.47Å; E321-K324 VanDerWaalsContact O-CB 3.29Å; E321-K324 WeakPolarHBondContact O-CB 3.33Å; E321-K324 PolarHBondContact O-N 3.34Å; E321-E325 PolarHBondContact O-N 2.94Å
322	L	97.4	Very high	97	Very high	3 Å²	3	72 Å²	72	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-32	176.6	-74.1	170.2	0	0	0	112.5	L275 E279 L310 R318 Y319 K324 E325 Y326	L275-L322 HydrophobicContact CB-CD1 3.9Å; L275-L322 HydrophobicContact CD2-CD1 3.86Å; L275-L322 HydrophobicContact CG-CD1 4.36Å; E279-L322 HydrophobicContact CB-CD2 3.65Å; E279-L322 HydrophobicContact CG-CD2 3.73Å; L310-L322 HydrophobicContact CD1-CB 3.85Å; L310-L322 HydrophobicContact CD1-CD1 4.29Å; L310-L322 HydrophobicContact CD2-CB 4.15Å; R318-L322 HydrophobicContact CB-CD1 4.33Å; R318-L322 PolarHBondContact O-N 3.02Å; Y319-L322 PolarHBondContact O-N 3.45Å; L322-K324 VanDerWaalsContact C-N 3.35Å; L322-E325 PolarHBondContact O-N 3.08Å; L322-Y326 WeakPolarHBondContact O-CB 3.41Å; L322-Y326 PolarHBondContact O-N 3.35Å
323	K	98.2	Very high	97	Very high	37 Å²	37	65.2 Å²	65.2	16%	0.161	31%	0.308	C	S	.	.	H	α-helix	trans	-69.4	-37.9	177.2	179.7	55.1	-177.6	155.6	0	110.9	D307 L310 Y319 E321 Y326 D327	D307-K323 IonicContact OD1-NZ 2.75Å; D307-K323 PolarHBondContact OD1-NZ 3.2Å; L310-K323 HydrophobicContact CD2-CB 3.93Å; L310-K323 HydrophobicContact CD2-CD 4.15Å; Y319-K323 HydrophobicContact CE1-CB 4.36Å; Y319-K323 HydrophobicContact CE1-CG 4.42Å; Y319-K323 HydrophobicContact CE2-CB 4.36Å; Y319-K323 WeakPolarHBondContact O-CB 3.49Å; Y319-K323 PolarHBondContact O-N 2.8Å; E321-K323 PolarHBondContact O-N 3.05Å; K323-Y326 HydrophobicContact CD-CD1 4.34Å; K323-Y326 PolarHBondContact O-N 3.47Å; K323-D327 WeakPolarHBondContact CE-OD1 3.29Å; K323-D327 WeakPolarHBondContact CE-OD2 3.34Å; K323-D327 IonicContact NZ-OD1 2.66Å; K323-D327 PolarHBondContact NZ-OD1 3.4Å; K323-D327 IonicContact NZ-OD2 3.21Å; K323-D327 WeakPolarHBondContact O-CB 3.27Å; K323-D327 VanDerWaalsContact O-CG 3.23Å; K323-D327 PolarHBondContact O-N 3.33Å
324	K	97.8	Very high	97.1	Very high	129 Å²	129	68.5 Å²	68.5	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-62.6	-48	173	-172.7	-172.3	175.8	-120.8	0	111	D320 E321 L322 Y326 D327 E328	D320-K324 WeakPolarHBondContact O-CB 3.4Å; D320-K324 PolarHBondContact O-N 2.92Å; D320-K324 VanDerWaalsContact O-N 3.1Å; E321-K324 WeakPolarHBondContact O-CA 3.47Å; E321-K324 VanDerWaalsContact O-CB 3.29Å; E321-K324 WeakPolarHBondContact O-CB 3.33Å; E321-K324 PolarHBondContact O-N 3.34Å; L322-K324 VanDerWaalsContact C-N 3.35Å; K324-Y326 VanDerWaalsContact C-N 3.33Å; K324-Y326 PolarHBondContact O-N 3.23Å; K324-D327 PolarHBondContact O-N 2.89Å; K324-E328 WeakPolarHBondContact CE-OE1 3.39Å; K324-E328 IonicContact NZ-OE1 2.77Å; K324-E328 PolarHBondContact NZ-OE1 3.43Å; K324-E328 WeakPolarHBondContact O-CG 3.39Å; K324-E328 PolarHBondContact O-N 3.25Å
325	E	97.3	Very high	97.2	Very high	33 Å²	33	63.3 Å²	63.3	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-42.4	177	-69.2	172.8	-162.6	0	0	112.2	I282 E321 L322 E328 L329	I282-E325 HydrophobicContact CG2-CB 4.33Å; E321-E325 PolarHBondContact O-N 2.94Å; L322-E325 PolarHBondContact O-N 3.08Å; E325-E328 PolarHBondContact O-N 2.91Å; E325-L329 PolarHBondContact O-N 2.81Å
326	Y	98.1	Very high	97.4	Very high	16 Å²	16	55.1 Å²	55.1	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-43.7	173.9	172.3	-93.8	0	0	0	112.6	T303 I306 D307 L322 K323 K324 E328 L329 S330	T303-Y326 VanDerWaalsContact O-CE2 3.28Å; T303-Y326 WeakPolarHBondContact O-CE2 3.24Å; T303-Y326 PolarHBondContact O-OH 3.03Å; I306-Y326 HydrophobicContact CB-CD2 3.84Å; I306-Y326 HydrophobicContact CB-CE2 3.8Å; I306-Y326 HydrophobicContact CG2-CD2 3.65Å; I306-Y326 HydrophobicContact CG2-CE2 4.16Å; D307-Y326 HydrophobicContact CB-CD1 4.25Å; D307-Y326 HydrophobicContact CB-CE1 3.56Å; D307-Y326 HydrophobicContact CB-CE2 4.19Å; L322-Y326 WeakPolarHBondContact O-CB 3.41Å; L322-Y326 PolarHBondContact O-N 3.35Å; K323-Y326 HydrophobicContact CD-CD1 4.34Å; K323-Y326 PolarHBondContact O-N 3.47Å; K324-Y326 VanDerWaalsContact C-N 3.33Å; K324-Y326 PolarHBondContact O-N 3.23Å; Y326-E328 VanDerWaalsContact C-N 3.34Å; Y326-L329 WeakPolarHBondContact O-CB 3.44Å; Y326-L329 PolarHBondContact O-N 3.04Å; Y326-S330 WeakPolarHBondContact O-CB 3.47Å; Y326-S330 PolarHBondContact O-N 3.27Å
327	D	97.9	Very high	97.6	Very high	63 Å²	63	56.3 Å²	56.3	34%	0.337	26%	0.264	S	S	.	.	H	α-helix	trans	-66.5	-38.2	179.4	-73.9	-20.7	0	0	0	111.1	K323 K324 S330 N331	K323-D327 WeakPolarHBondContact CE-OD1 3.29Å; K323-D327 WeakPolarHBondContact CE-OD2 3.34Å; K323-D327 IonicContact NZ-OD1 2.66Å; K323-D327 PolarHBondContact NZ-OD1 3.4Å; K323-D327 IonicContact NZ-OD2 3.21Å; K323-D327 WeakPolarHBondContact O-CB 3.27Å; K323-D327 VanDerWaalsContact O-CG 3.23Å; K323-D327 PolarHBondContact O-N 3.33Å; K324-D327 PolarHBondContact O-N 2.89Å; D327-S330 PolarHBondContact O-N 3.41Å; D327-N331 WeakPolarHBondContact O-CB 3.28Å; D327-N331 PolarHBondContact O-N 3.29Å; D327-N331 PolarHBondContact O-ND2 3.06Å; D327-N331 VanDerWaalsContact O-ND2 3.15Å
328	E	97.8	Very high	97.8	Very high	67 Å²	67	48.7 Å²	48.7	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-47	171.7	-72.5	176.5	-165	0	0	111.3	K324 E325 Y326 S330 N331 K332	K324-E328 WeakPolarHBondContact CE-OE1 3.39Å; K324-E328 IonicContact NZ-OE1 2.77Å; K324-E328 PolarHBondContact NZ-OE1 3.43Å; K324-E328 WeakPolarHBondContact O-CG 3.39Å; K324-E328 PolarHBondContact O-N 3.25Å; E325-E328 PolarHBondContact O-N 2.91Å; Y326-E328 VanDerWaalsContact C-N 3.34Å; E328-S330 PolarHBondContact O-N 2.86Å; E328-N331 PolarHBondContact O-N 3.08Å; E328-K332 WeakPolarHBondContact O-CB 3.31Å; E328-K332 WeakPolarHBondContact O-CG 3.5Å; E328-K332 PolarHBondContact O-N 3.13Å
329	L	98.2	Very high	97.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.3	-49.3	173.4	171	59.6	0	0	0	111.4	I282 Y285 Y286 L294 T303 E325 Y326 N331 K332 Q333	I282-L329 HydrophobicContact CG2-CD2 4.26Å; Y285-L329 VanDerWaalsContact CB-CD1 3.48Å; Y285-L329 HydrophobicContact CD1-CD1 4.12Å; Y285-L329 HydrophobicContact CD1-CD2 4.43Å; Y285-L329 HydrophobicContact CD2-CD2 3.97Å; Y285-L329 HydrophobicContact CG-CD1 3.9Å; Y285-L329 HydrophobicContact CG-CD2 3.89Å; Y286-L329 HydrophobicContact CE2-CB 4.36Å; Y286-L329 HydrophobicContact CE2-CD1 4.38Å; Y286-L329 WeakPolarHBondContact OH-CA 3.39Å; Y286-L329 WeakPolarHBondContact OH-CB 3.35Å; Y286-L329 PolarHBondContact OH-N 2.75Å; L294-L329 HydrophobicContact CD2-CD1 3.55Å; T303-L329 HydrophobicContact CG2-CD2 4.01Å; T303-L329 HydrophobicContact CG2-CG 4.45Å; E325-L329 PolarHBondContact O-N 2.81Å; Y326-L329 WeakPolarHBondContact O-CB 3.44Å; Y326-L329 PolarHBondContact O-N 3.04Å; L329-N331 VanDerWaalsContact C-N 3.31Å; L329-N331 PolarHBondContact O-N 3.23Å; L329-K332 PolarHBondContact O-N 2.95Å; L329-Q333 HydrophobicContact CD1-CG 4.03Å; L329-Q333 WeakPolarHBondContact O-CB 3.13Å; L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 3.06Å
330	S	97.8	Very high	97.9	Very high	16 Å²	16	45.7 Å²	45.7	11%	0.112	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-40.2	179.9	-169.4	0	0	0	0	112	Y326 D327 E328 K334	Y326-S330 WeakPolarHBondContact O-CB 3.47Å; Y326-S330 PolarHBondContact O-N 3.27Å; D327-S330 PolarHBondContact O-N 3.41Å; E328-S330 PolarHBondContact O-N 2.86Å; S330-K334 VanDerWaalsContact O-CG 3.3Å; S330-K334 WeakPolarHBondContact O-CG 3.36Å; S330-K334 PolarHBondContact O-N 3.11Å; S330-K334 VanDerWaalsContact O-N 3.08Å; S330-K334 PolarHBondContact OG-NZ 3Å
331	N	97.8	Very high	97.9	Very high	83 Å²	83	46.2 Å²	46.2	44%	0.444	23%	0.225	S	C	.	.	H	α-helix	trans	-68.5	-44	178.3	-70.4	-23.9	0	0	0	111.7	D327 E328 L329 K334 A335	D327-N331 WeakPolarHBondContact O-CB 3.28Å; D327-N331 PolarHBondContact O-N 3.29Å; D327-N331 PolarHBondContact O-ND2 3.06Å; D327-N331 VanDerWaalsContact O-ND2 3.15Å; E328-N331 PolarHBondContact O-N 3.08Å; L329-N331 VanDerWaalsContact C-N 3.31Å; L329-N331 PolarHBondContact O-N 3.23Å; N331-K334 PolarHBondContact O-N 3.35Å; N331-A335 WeakPolarHBondContact O-CB 3.17Å; N331-A335 PolarHBondContact O-N 2.93Å
332	K	98.3	Very high	98	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.03	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-43.9	175.1	-72.3	-178.4	177.6	-165.8	0	111.7	Y286 H291 T292 L294 E328 L329 K334 A335 E336 T371 D373 F376	Y286-K332 HydrophobicContact CE1-CD 4.08Å; H291-K332 PolarHBondContact O-NZ 3.37Å; T292-K332 PolarHBondContact O-NZ 3.43Å; L294-K332 HydrophobicContact CD1-CB 4.03Å; L294-K332 HydrophobicContact CD2-CB 4.44Å; L294-K332 HydrophobicContact CG-CB 4.35Å; E328-K332 WeakPolarHBondContact O-CB 3.31Å; E328-K332 WeakPolarHBondContact O-CG 3.5Å; E328-K332 PolarHBondContact O-N 3.13Å; L329-K332 PolarHBondContact O-N 2.95Å; K332-K334 PolarHBondContact O-N 3.08Å; K332-A335 PolarHBondContact O-N 3.47Å; K332-E336 WeakPolarHBondContact O-CB 3.24Å; K332-E336 PolarHBondContact O-N 3.49Å; K332-T371 HydrophobicContact CG-CG2 4.28Å; K332-D373 IonicContact NZ-OD2 2.73Å; K332-D373 PolarHBondContact NZ-OD2 3.24Å; K332-F376 HydrophobicContact CB-CE1 4.21Å; K332-F376 HydrophobicContact CB-CE2 3.95Å; K332-F376 HydrophobicContact CB-CZ 3.75Å; K332-F376 HydrophobicContact CD-CD2 4.14Å; K332-F376 HydrophobicContact CD-CE2 4.34Å; K332-F376 HydrophobicContact CD-CG 4.31Å; K332-F376 HydrophobicContact CG-CD1 4.16Å; K332-F376 HydrophobicContact CG-CD2 4.24Å; K332-F376 HydrophobicContact CG-CE1 4.03Å; K332-F376 HydrophobicContact CG-CE2 4.1Å; K332-F376 HydrophobicContact CG-CG 4.27Å; K332-F376 HydrophobicContact CG-CZ 3.99Å; K332-F376 WeakPolarHBondContact O-CZ 3.48Å
333	Q	98.1	Very high	98	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-57.4	-49	174.8	-78	-172.3	-51.8	0	0	111.5	L294 K298 V299 L301 T303 L329 A335 E336 Q337	L294-Q333 HydrophobicContact CD1-CB 4.36Å; L294-Q333 HydrophobicContact CD1-CG 3.79Å; K298-Q333 PolarHBondContact O-NE2 2.87Å; V299-Q333 PolarHBondContact O-NE2 3Å; L301-Q333 PolarHBondContact O-NE2 2.96Å; T303-Q333 PolarHBondContact OG1-OE1 3.44Å; L329-Q333 HydrophobicContact CD1-CG 4.03Å; L329-Q333 WeakPolarHBondContact O-CB 3.13Å; L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 3.06Å; Q333-A335 VanDerWaalsContact C-N 3.35Å; Q333-A335 PolarHBondContact O-N 3.43Å; Q333-E336 PolarHBondContact O-N 3.39Å; Q333-Q337 VanDerWaalsContact O-CB 3.24Å; Q333-Q337 WeakPolarHBondContact O-CB 3.48Å; Q333-Q337 WeakPolarHBondContact O-CG 3.2Å; Q333-Q337 PolarHBondContact O-N 3.13Å
334	K	97.8	Very high	98	Very high	115 Å²	115	43.8 Å²	43.8	50%	0.5	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-41.6	178.9	-73	167.7	-172.6	155.9	0	112.3	S330 N331 K332 S338	S330-K334 VanDerWaalsContact O-CG 3.3Å; S330-K334 WeakPolarHBondContact O-CG 3.36Å; S330-K334 PolarHBondContact O-N 3.11Å; S330-K334 VanDerWaalsContact O-N 3.08Å; S330-K334 PolarHBondContact OG-NZ 3Å; N331-K334 PolarHBondContact O-N 3.35Å; K332-K334 PolarHBondContact O-N 3.08Å; K334-S338 WeakPolarHBondContact O-CB 3.36Å; K334-S338 PolarHBondContact O-N 2.94Å; K334-S338 PolarHBondContact O-OG 3.31Å
335	A	98.3	Very high	98	Very high	12 Å²	12	40.5 Å²	40.5	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-51.5	178.1	0	0	0	0	0	111.2	N331 K332 Q333 Q337 S338 V339 V369 T371 F376	N331-A335 WeakPolarHBondContact O-CB 3.17Å; N331-A335 PolarHBondContact O-N 2.93Å; K332-A335 PolarHBondContact O-N 3.47Å; Q333-A335 VanDerWaalsContact C-N 3.35Å; Q333-A335 PolarHBondContact O-N 3.43Å; A335-Q337 PolarHBondContact O-N 3.32Å; A335-S338 PolarHBondContact O-N 3.14Å; A335-V339 WeakPolarHBondContact O-CG2 3.44Å; A335-V339 PolarHBondContact O-N 3.2Å; A335-V369 HydrophobicContact CB-CG1 3.69Å; A335-V369 HydrophobicContact CB-CG2 4.13Å; A335-T371 HydrophobicContact CB-CG2 3.89Å; A335-F376 HydrophobicContact CB-CE1 3.88Å; A335-F376 HydrophobicContact CB-CZ 4.29Å
336	E	98.6	Very high	98	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-39.8	179.7	-171.2	175.2	155.9	0	0	112	V299 K332 Q333 S338 V339 N340 I348 F376 M380	V299-E336 HydrophobicContact CG1-CB 4.05Å; V299-E336 HydrophobicContact CG1-CG 3.94Å; V299-E336 VanDerWaalsContact CG2-CD 3.47Å; V299-E336 HydrophobicContact CG2-CG 4.43Å; V299-E336 WeakPolarHBondContact CG2-OE1 3.4Å; K332-E336 WeakPolarHBondContact O-CB 3.24Å; K332-E336 PolarHBondContact O-N 3.49Å; Q333-E336 PolarHBondContact O-N 3.39Å; E336-S338 PolarHBondContact O-N 3.03Å; E336-V339 PolarHBondContact O-N 3.47Å; E336-N340 VanDerWaalsContact O-CB 3.28Å; E336-N340 WeakPolarHBondContact O-CB 3.47Å; E336-N340 VanDerWaalsContact O-CG 3.32Å; E336-N340 PolarHBondContact O-N 3.01Å; E336-N340 PolarHBondContact O-ND2 3.07Å; E336-I348 HydrophobicContact CG-CB 3.94Å; E336-I348 HydrophobicContact CG-CG1 4.29Å; E336-I348 HydrophobicContact CG-CG2 4.16Å; E336-I348 WeakPolarHBondContact OE1-CG2 3.32Å; E336-F376 HydrophobicContact CB-CZ 4.14Å; E336-M380 HydrophobicContact CB-CE 4.28Å; E336-M380 HydrophobicContact CB-SD 4.18Å; E336-M380 HydrophobicContact CG-CE 4.16Å; E336-M380 HydrophobicContact CG-SD 4.37Å
337	Q	97.9	Very high	98	Very high	54 Å²	54	42 Å²	42	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-45.9	172.6	-74.9	171.1	6.1	0	0	111.8	V299 Q333 A335 V339 N340 Q341	V299-Q337 HydrophobicContact CG1-CG 3.95Å; V299-Q337 PolarHBondContact O-NE2 3.08Å; Q333-Q337 VanDerWaalsContact O-CB 3.24Å; Q333-Q337 WeakPolarHBondContact O-CB 3.48Å; Q333-Q337 WeakPolarHBondContact O-CG 3.2Å; Q333-Q337 PolarHBondContact O-N 3.13Å; A335-Q337 PolarHBondContact O-N 3.32Å; Q337-V339 VanDerWaalsContact C-N 3.32Å; Q337-V339 PolarHBondContact O-N 3.15Å; Q337-N340 PolarHBondContact O-N 3.28Å; Q337-Q341 WeakPolarHBondContact O-CB 3.49Å; Q337-Q341 VanDerWaalsContact O-CG 3.24Å; Q337-Q341 WeakPolarHBondContact O-CG 3.41Å; Q337-Q341 PolarHBondContact O-N 3.01Å
338	S	97.9	Very high	98	Very high	46 Å²	46	39 Å²	39	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-63.5	-39.6	179.4	-58.1	0	0	0	0	111.7	K334 A335 E336	K334-S338 WeakPolarHBondContact O-CB 3.36Å; K334-S338 PolarHBondContact O-N 2.94Å; K334-S338 PolarHBondContact O-OG 3.31Å; A335-S338 PolarHBondContact O-N 3.14Å; E336-S338 PolarHBondContact O-N 3.03Å
339	V	98.6	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-48.4	175.4	171.4	0	0	0	0	110.9	A335 E336 Q337 Q341 L342 F343 I348 L367 V369 M380 A383 I384	A335-V339 WeakPolarHBondContact O-CG2 3.44Å; A335-V339 PolarHBondContact O-N 3.2Å; E336-V339 PolarHBondContact O-N 3.47Å; Q337-V339 VanDerWaalsContact C-N 3.32Å; Q337-V339 PolarHBondContact O-N 3.15Å; V339-Q341 PolarHBondContact O-N 3.07Å; V339-L342 VanDerWaalsContact O-CB 3.31Å; V339-L342 WeakPolarHBondContact O-CB 3.43Å; V339-L342 WeakPolarHBondContact O-CG 3.21Å; V339-L342 PolarHBondContact O-N 2.84Å; V339-L342 VanDerWaalsContact O-N 3.09Å; V339-F343 HydrophobicContact CG1-CE2 4.33Å; V339-F343 VanDerWaalsContact O-CD2 3.29Å; V339-F343 WeakPolarHBondContact O-CD2 3.5Å; V339-I348 HydrophobicContact CG1-CG1 4.25Å; V339-L367 HydrophobicContact CB-CD2 4.4Å; V339-L367 HydrophobicContact CG2-CD2 3.72Å; V339-V369 HydrophobicContact CG2-CG2 3.91Å; V339-M380 HydrophobicContact CB-SD 4.16Å; V339-M380 HydrophobicContact CG1-SD 4.41Å; V339-M380 HydrophobicContact CG2-CB 4.17Å; V339-M380 HydrophobicContact CG2-CG 4.49Å; V339-M380 HydrophobicContact CG2-SD 3.88Å; V339-A383 HydrophobicContact CG1-CB 3.39Å; V339-I384 HydrophobicContact CG2-CD1 4.04Å; V339-I384 HydrophobicContact CG2-CG1 4.01Å
340	N	97.9	Very high	97.8	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-29.9	180	-77.9	-24.6	0	0	0	112.5	E336 Q337 L342 F343 A347 I348	E336-N340 VanDerWaalsContact O-CB 3.28Å; E336-N340 WeakPolarHBondContact O-CB 3.47Å; E336-N340 VanDerWaalsContact O-CG 3.32Å; E336-N340 PolarHBondContact O-N 3.01Å; E336-N340 PolarHBondContact O-ND2 3.07Å; Q337-N340 PolarHBondContact O-N 3.28Å; N340-L342 PolarHBondContact O-N 3.02Å; N340-F343 PolarHBondContact O-N 3.13Å; N340-A347 PolarHBondContact OD1-N 3.32Å; N340-I348 PolarHBondContact OD1-N 3.15Å
341	Q	97.4	Very high	97.8	Very high	137 Å²	137	45 Å²	45	64%	0.64	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-20	175.7	-79.1	174.3	8.1	0	0	114.3	Q337 V339 F343	Q337-Q341 WeakPolarHBondContact O-CB 3.49Å; Q337-Q341 VanDerWaalsContact O-CG 3.24Å; Q337-Q341 WeakPolarHBondContact O-CG 3.41Å; Q337-Q341 PolarHBondContact O-N 3.01Å; V339-Q341 PolarHBondContact O-N 3.07Å; Q341-F343 PolarHBondContact O-N 3.42Å
342	L	98.3	Very high	97.8	Very high	35 Å²	35	47.9 Å²	47.9	18%	0.183	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.8	174.8	-60	175.9	0	0	0	112.4	V339 N340 L359 K360 V365 L367 I384 A387	V339-L342 VanDerWaalsContact O-CB 3.31Å; V339-L342 WeakPolarHBondContact O-CB 3.43Å; V339-L342 WeakPolarHBondContact O-CG 3.21Å; V339-L342 PolarHBondContact O-N 2.84Å; V339-L342 VanDerWaalsContact O-N 3.09Å; N340-L342 PolarHBondContact O-N 3.02Å; L342-L359 WeakPolarHBondContact O-CD1 3.4Å; L342-K360 WeakPolarHBondContact O-CB 3.47Å; L342-K360 PolarHBondContact O-N 3.06Å; L342-V365 HydrophobicContact CD1-CG1 3.85Å; L342-V365 HydrophobicContact CD2-CG1 4.31Å; L342-L367 HydrophobicContact CD1-CB 4.46Å; L342-L367 HydrophobicContact CD1-CD2 3.91Å; L342-L367 HydrophobicContact CG-CD2 4.41Å; L342-I384 HydrophobicContact CD1-CG1 4.43Å; L342-A387 HydrophobicContact CB-CB 4.39Å; L342-A387 HydrophobicContact CD1-CB 4Å
343	F	98.6	Very high	97.7	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.026	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-117.3	159.8	-169.6	-57.9	-83.1	0	0	0	112.6	V339 N340 Q341 S345 A347 P357 L358 A383 A387	V339-F343 HydrophobicContact CG1-CE2 4.33Å; V339-F343 VanDerWaalsContact O-CD2 3.29Å; V339-F343 WeakPolarHBondContact O-CD2 3.5Å; N340-F343 PolarHBondContact O-N 3.13Å; Q341-F343 PolarHBondContact O-N 3.42Å; F343-S345 WeakPolarHBondContact CB-O 3.42Å; F343-S345 PolarHBondContact O-N 3.24Å; F343-A347 HydrophobicContact CB-CB 4.36Å; F343-A347 HydrophobicContact CD1-CB 4.4Å; F343-A347 HydrophobicContact CD2-CB 3.28Å; F343-A347 HydrophobicContact CE2-CB 3.44Å; F343-A347 VanDerWaalsContact CE2-CB 3.44Å; F343-A347 HydrophobicContact CG-CB 3.78Å; F343-A347 HydrophobicContact CZ-CB 4.07Å; F343-P357 HydrophobicContact CD1-CB 3.56Å; F343-P357 HydrophobicContact CD1-CG 4.03Å; F343-P357 HydrophobicContact CE1-CB 3.75Å; F343-P357 HydrophobicContact CE1-CG 3.66Å; F343-P357 HydrophobicContact CG-CB 4.07Å; F343-P357 HydrophobicContact CZ-CB 4.41Å; F343-P357 HydrophobicContact CZ-CG 4.15Å; F343-L358 CarbonylContact C-O 3.5Å; F343-L358 WeakPolarHBondContact CA-O 3.34Å; F343-L358 WeakPolarHBondContact CB-O 3.48Å; F343-A383 HydrophobicContact CE2-CB 4.17Å; F343-A383 HydrophobicContact CZ-CB 4.37Å; F343-A383 WeakPolarHBondContact CZ-O 3.33Å; F343-A387 HydrophobicContact CE1-CB 4.06Å; F343-A387 HydrophobicContact CE2-CB 4.45Å; F343-A387 HydrophobicContact CZ-CB 3.75Å
344	T	98	Very high	97.7	Very high	77 Å²	77	51.3 Å²	51.3	47%	0.472	28%	0.279	S	S	.	.	S	Bend	trans	-68.7	-23.2	178.6	56.1	0	0	0	0	112.8	L358 K360	T344-L358 HydrophobicContact CG2-CB 4.37Å; T344-L358 PolarHBondContact N-O 2.89Å; T344-K360 HydrophobicContact CG2-CB 4.35Å; T344-K360 HydrophobicContact CG2-CG 4.49Å
345	S	96.8	Very high	97.6	Very high	60 Å²	60	53.5 Å²	53.5	42%	0.42	30%	0.296	S	S	.	.	S	Bend	trans	-138.8	161.4	173.2	60.8	0	0	0	0	109.7	F343 A347	F343-S345 WeakPolarHBondContact CB-O 3.42Å; F343-S345 PolarHBondContact O-N 3.24Å; S345-A347 PolarHBondContact O-N 3.46Å; S345-A347 VanDerWaalsContact O-N 3.13Å
346	P	97.6	Very high	97.5	Very high	79 Å²	79	61.7 Å²	61.7	51%	0.513	33%	0.329	S	S	.	.			trans	-49.8	123.2	173.7	-27.2	35.7	0	0	0	111.5
347	A	97.8	Very high	97.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-86.4	-20.9	177.6	0	0	0	0	0	111.7	N340 F343 S345 L353 A354 P357	N340-A347 PolarHBondContact OD1-N 3.32Å; F343-A347 HydrophobicContact CB-CB 4.36Å; F343-A347 HydrophobicContact CD1-CB 4.4Å; F343-A347 HydrophobicContact CD2-CB 3.28Å; F343-A347 HydrophobicContact CE2-CB 3.44Å; F343-A347 VanDerWaalsContact CE2-CB 3.44Å; F343-A347 HydrophobicContact CG-CB 3.78Å; F343-A347 HydrophobicContact CZ-CB 4.07Å; S345-A347 PolarHBondContact O-N 3.46Å; S345-A347 VanDerWaalsContact O-N 3.13Å; A347-L353 HydrophobicContact CB-CD1 4.32Å; A347-L353 CarbonylContact O-C 3.51Å; A347-L353 WeakPolarHBondContact O-CA 3.46Å; A347-L353 WeakPolarHBondContact O-CD1 3.39Å; A347-A354 WeakPolarHBondContact O-CB 3.42Å; A347-A354 PolarHBondContact O-N 2.82Å; A347-P357 HydrophobicContact CB-CB 3.79Å; A347-P357 HydrophobicContact CB-CG 4.24Å
348	I	98.3	Very high	97.5	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.7	176.1	-53.6	-54.3	0	0	0	109.7	E336 V339 N340 L353 L379 M380 A383	E336-I348 HydrophobicContact CG-CB 3.94Å; E336-I348 HydrophobicContact CG-CG1 4.29Å; E336-I348 HydrophobicContact CG-CG2 4.16Å; E336-I348 WeakPolarHBondContact OE1-CG2 3.32Å; V339-I348 HydrophobicContact CG1-CG1 4.25Å; N340-I348 PolarHBondContact OD1-N 3.15Å; I348-L353 HydrophobicContact CD1-CD1 3.91Å; I348-L379 HydrophobicContact CD1-CD1 4.11Å; I348-L379 HydrophobicContact CD1-CD2 4.31Å; I348-L379 HydrophobicContact CD1-CG 3.82Å; I348-L379 HydrophobicContact CG2-CD2 3.92Å; I348-M380 HydrophobicContact CB-CE 4.34Å; I348-M380 HydrophobicContact CD1-CE 4.26Å; I348-M380 HydrophobicContact CG1-CE 3.77Å; I348-M380 HydrophobicContact CG1-SD 4.14Å; I348-M380 HydrophobicContact CG2-CE 3.87Å; I348-A383 HydrophobicContact CD1-CB 3.87Å
349	N	95.5	Very high	97.5	Very high	106 Å²	106	60.2 Å²	60.2	57%	0.567	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.9	98.2	172.2	-176	-17.1	0	0	0	109.2	A296 N351 K352	A296-N349 HydrophobicContact CB-CB 4.23Å; A296-N349 WeakPolarHBondContact CB-OD1 3.4Å; N349-N351 PolarHBondContact O-N 2.98Å; N349-K352 PolarHBondContact N-O 3.45Å; N349-K352 PolarHBondContact O-N 3.24Å
350	G	96.8	Very high	97.5	Very high	7 Å²	7	65.9 Å²	65.9	7%	0.072	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	-126.5	-173.1	0	0	0	0	0	111	L294 K352	L294-G350 VanDerWaalsContact O-CA 3.29Å; L294-G350 WeakPolarHBondContact O-CA 3.41Å; G350-K352 VanDerWaalsContact C-N 3.27Å; G350-K352 PolarHBondContact O-N 3.41Å
351	N	97.1	Very high	97.4	Very high	95 Å²	95	68 Å²	68	51%	0.508	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	17.7	178.4	68.2	-15.6	0	0	0	114.1	F293 N349	F293-N351 HydrophobicContact CB-CB 4.36Å; F293-N351 HydrophobicContact CD1-CB 4.24Å; F293-N351 HydrophobicContact CD2-CB 3.47Å; F293-N351 VanDerWaalsContact CD2-CB 3.47Å; F293-N351 HydrophobicContact CE1-CB 4.45Å; F293-N351 HydrophobicContact CE2-CB 3.71Å; F293-N351 HydrophobicContact CG-CB 3.76Å; F293-N351 HydrophobicContact CZ-CB 4.2Å; N349-N351 PolarHBondContact O-N 2.98Å
352	K	97.3	Very high	97.3	Very high	143 Å²	143	63.2 Å²	63.2	62%	0.622	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.2	-174.2	-62	-177.5	-175.6	179.9	0	112.9	N349 G350	N349-K352 PolarHBondContact N-O 3.45Å; N349-K352 PolarHBondContact O-N 3.24Å; G350-K352 VanDerWaalsContact C-N 3.27Å; G350-K352 PolarHBondContact O-N 3.41Å
353	L	98	Very high	97.2	Very high	54 Å²	54	67.5 Å²	67.5	28%	0.283	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	136.2	163.1	-172.9	70.5	0	0	0	108.7	A347 I348 P357 L379 A383	A347-L353 HydrophobicContact CB-CD1 4.32Å; A347-L353 CarbonylContact O-C 3.51Å; A347-L353 WeakPolarHBondContact O-CA 3.46Å; A347-L353 WeakPolarHBondContact O-CD1 3.39Å; I348-L353 HydrophobicContact CD1-CD1 3.91Å; L353-P357 HydrophobicContact CD1-CG 4.5Å; L353-L379 HydrophobicContact CB-CD1 4.15Å; L353-A383 HydrophobicContact CD1-CB 3.6Å
354	A	97.3	Very high	97.1	Very high	32 Å²	32	70.8 Å²	70.8	26%	0.264	38%	0.382	S	S	.	.			trans	-60.3	151.9	173.3	0	0	0	0	0	110.9	A347 K356 P357	A347-A354 WeakPolarHBondContact O-CB 3.42Å; A347-A354 PolarHBondContact O-N 2.82Å; A354-K356 PolarHBondContact O-N 3.41Å; A354-P357 WeakPolarHBondContact O-CD 3.39Å
355	D	95.9	Very high	97.1	Very high	161 Å²	161	67.7 Å²	67.7	86%	0.861	36%	0.363	S	S	*	.	S	Bend	trans	-70.6	114.7	177.4	-71.1	-34.1	0	0	0	110.4
356	K	95.5	Very high	97.1	Very high	183 Å²	183	71.7 Å²	71.7	80%	0.796	38%	0.38	S	S	*	.	S	Bend	trans	50.8	60.2	176.4	-57.1	175.9	-177.6	175.7	0	112.3	A354	A354-K356 PolarHBondContact O-N 3.41Å
357	P	97.7	Very high	97.1	Very high	4 Å²	4	69.9 Å²	69.9	3%	0.026	37%	0.366	C	S	.	.			trans	-60.9	144.1	-179.2	31.9	-35.2	0	0	0	108.7	F343 A347 L353 A354 Q390	F343-P357 HydrophobicContact CD1-CB 3.56Å; F343-P357 HydrophobicContact CD1-CG 4.03Å; F343-P357 HydrophobicContact CE1-CB 3.75Å; F343-P357 HydrophobicContact CE1-CG 3.66Å; F343-P357 HydrophobicContact CG-CB 4.07Å; F343-P357 HydrophobicContact CZ-CB 4.41Å; F343-P357 HydrophobicContact CZ-CG 4.15Å; A347-P357 HydrophobicContact CB-CB 3.79Å; A347-P357 HydrophobicContact CB-CG 4.24Å; L353-P357 HydrophobicContact CD1-CG 4.5Å; A354-P357 WeakPolarHBondContact O-CD 3.39Å; P357-Q390 PolarHBondContact O-NE2 3.45Å
358	L	98.3	Very high	97	Very high	62 Å²	62	75.6 Å²	75.6	33%	0.325	40%	0.401	S	S	.	.			trans	-104.2	128.9	-175	-63.8	179.7	0	0	0	110.6	F343 T344 K360 A430 N431	F343-L358 CarbonylContact C-O 3.5Å; F343-L358 WeakPolarHBondContact CA-O 3.34Å; F343-L358 WeakPolarHBondContact CB-O 3.48Å; T344-L358 HydrophobicContact CG2-CB 4.37Å; T344-L358 PolarHBondContact N-O 2.89Å; L358-K360 PolarHBondContact O-N 3.5Å; L358-A430 HydrophobicContact CD2-CB 3.94Å; L358-N431 HydrophobicContact CB-CB 4.28Å
359	L	98.4	Very high	96.9	Very high	4 Å²	4	76.3 Å²	76.3	2%	0.021	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-58.8	133.3	176.8	-169.2	73.7	0	0	0	110.1	L342 T361 V365 A387 Q390 N431 L434	L342-L359 WeakPolarHBondContact O-CD1 3.4Å; L359-T361 WeakPolarHBondContact CD2-O 3.45Å; L359-T361 VanDerWaalsContact CG-O 3.29Å; L359-T361 WeakPolarHBondContact CG-O 3.47Å; L359-V365 HydrophobicContact CD1-CG2 4.23Å; L359-A387 HydrophobicContact CD1-CB 3.86Å; L359-Q390 HydrophobicContact CB-CB 4.12Å; L359-Q390 HydrophobicContact CD2-CB 4.4Å; L359-N431 PolarHBondContact O-ND2 3.33Å; L359-L434 HydrophobicContact CB-CD1 4.29Å; L359-L434 HydrophobicContact CD2-CD1 4.26Å; L359-L434 HydrophobicContact CG-CD1 4.49Å
360	K	98.2	Very high	96.9	Very high	120 Å²	120	77.8 Å²	77.8	52%	0.522	41%	0.413	S	S	.	.	S	Bend	trans	-79	-43	-175.7	-171	178.8	177.1	179.2	0	113.2	L342 T344 L358	L342-K360 WeakPolarHBondContact O-CB 3.47Å; L342-K360 PolarHBondContact O-N 3.06Å; T344-K360 HydrophobicContact CG2-CB 4.35Å; T344-K360 HydrophobicContact CG2-CG 4.49Å; L358-K360 PolarHBondContact O-N 3.5Å
361	T	97	Very high	96.9	Very high	60 Å²	60	79.2 Å²	79.2	37%	0.368	42%	0.421	S	S	.	.	S	Bend	trans	-130.3	151.2	-175.3	62	0	0	0	0	110.3	L359 E363	L359-T361 WeakPolarHBondContact CD2-O 3.45Å; L359-T361 VanDerWaalsContact CG-O 3.29Å; L359-T361 WeakPolarHBondContact CG-O 3.47Å; T361-E363 PolarHBondContact O-N 3.35Å
362	A	95	Very high	96.8	Very high	37 Å²	37	78 Å²	78	31%	0.306	43%	0.43	S	S	.	.	S	Bend	trans	-84.5	50.7	178.8	0	0	0	0	0	112.2	F394 L434	A362-F394 HydrophobicContact CB-CD1 3.86Å; A362-F394 HydrophobicContact CB-CD2 4.16Å; A362-F394 HydrophobicContact CB-CE1 3.52Å; A362-F394 HydrophobicContact CB-CE2 3.83Å; A362-F394 HydrophobicContact CB-CG 4.18Å; A362-F394 HydrophobicContact CB-CZ 3.49Å; A362-F394 VanDerWaalsContact CB-CZ 3.49Å; A362-L434 HydrophobicContact CB-CD2 4.29Å
363	E	96.1	Very high	96.8	Very high	126 Å²	126	72.9 Å²	72.9	59%	0.589	41%	0.41	S	S	*	.	S	Bend	trans	-116.2	148.1	-175.4	-67	-179.1	156.7	0	0	112.2	T361 V365 Y391	T361-E363 PolarHBondContact O-N 3.35Å; E363-V365 PolarHBondContact O-N 2.69Å; E363-Y391 VanDerWaalsContact C-CD2 3.47Å; E363-Y391 WeakPolarHBondContact O-CD2 3.46Å
364	P	97.1	Very high	96.7	Very high	74 Å²	74	78.5 Å²	78.5	48%	0.481	43%	0.432	S	S	.	.			trans	-57.1	128.1	177.3	-18	24.3	0	0	0	112.6	N366 Y391	P364-N366 PolarHBondContact O-N 2.94Å; P364-N366 PolarHBondContact O-ND2 3.35Å; P364-Y391 HydrophobicContact CB-CE1 4.12Å; P364-Y391 HydrophobicContact CG-CE1 4.36Å; P364-Y391 HydrophobicContact CG-CE2 4.37Å; P364-Y391 WeakPolarHBondContact CG-OH 3.32Å
365	V	97.8	Very high	96.8	Very high	13 Å²	13	82.9 Å²	82.9	8%	0.079	45%	0.447	C	S	.	.			trans	-85.6	96.6	-179.2	-177.2	0	0	0	0	110.6	L342 L359 E363 I384 A387 K388	L342-V365 HydrophobicContact CD1-CG1 3.85Å; L342-V365 HydrophobicContact CD2-CG1 4.31Å; L359-V365 HydrophobicContact CD1-CG2 4.23Å; E363-V365 PolarHBondContact O-N 2.69Å; V365-I384 HydrophobicContact CG1-CG2 4.25Å; V365-A387 HydrophobicContact CG1-CB 4.19Å; V365-A387 HydrophobicContact CG2-CB 3.99Å; V365-K388 HydrophobicContact CB-CG 3.82Å; V365-K388 HydrophobicContact CG1-CG 3.98Å; V365-K388 VanDerWaalsContact O-CE 3.24Å; V365-K388 WeakPolarHBondContact O-CE 3.33Å
366	N	96	Very high	96.9	Very high	144 Å²	144	75.2 Å²	75.2	77%	0.77	41%	0.406	S	S	*	.			trans	-101.5	17.3	179.4	-64.6	-56.5	0	0	0	114	P364	P364-N366 PolarHBondContact O-N 2.94Å; P364-N366 PolarHBondContact O-ND2 3.35Å
367	L	97.2	Very high	97	Very high	41 Å²	41	67.5 Å²	67.5	22%	0.215	37%	0.373	C	S	.	.			trans	-76.8	138.2	-179.5	-173.9	61.8	0	0	0	111.4	V339 L342 V369 I384	V339-L367 HydrophobicContact CB-CD2 4.4Å; V339-L367 HydrophobicContact CG2-CD2 3.72Å; L342-L367 HydrophobicContact CD1-CB 4.46Å; L342-L367 HydrophobicContact CD1-CD2 3.91Å; L342-L367 HydrophobicContact CG-CD2 4.41Å; L367-V369 HydrophobicContact CG-CG2 4.48Å; L367-I384 HydrophobicContact CB-CD1 4.41Å; L367-I384 HydrophobicContact CB-CG1 4.49Å; L367-I384 HydrophobicContact CD2-CD1 4.1Å; L367-I384 HydrophobicContact CD2-CG1 4.13Å; L367-I384 HydrophobicContact CG-CD1 3.97Å; L367-I384 HydrophobicContact CG-CG1 4.35Å
368	T	96	Very high	97	Very high	119 Å²	119	70.5 Å²	70.5	73%	0.73	39%	0.392	S	S	*	.			trans	-134	138.1	168.3	-57.4	0	0	0	0	108.1
369	V	97	Very high	97	Very high	17 Å²	17	68 Å²	68	10%	0.103	38%	0.378	C	S	.	.			trans	-117.6	135.8	177.4	171.5	0	0	0	0	108.9	A335 V339 L367 T371 F376 M380 I384	A335-V369 HydrophobicContact CB-CG1 3.69Å; A335-V369 HydrophobicContact CB-CG2 4.13Å; V339-V369 HydrophobicContact CG2-CG2 3.91Å; L367-V369 HydrophobicContact CG-CG2 4.48Å; V369-T371 HydrophobicContact CG1-CG2 4.02Å; V369-F376 HydrophobicContact CG1-CE1 4.47Å; V369-M380 HydrophobicContact CB-CB 3.97Å; V369-M380 HydrophobicContact CG1-CB 3.9Å; V369-M380 HydrophobicContact CG1-CG 3.97Å; V369-M380 HydrophobicContact CG2-CB 4.17Å; V369-I384 HydrophobicContact CB-CD1 4.33Å; V369-I384 HydrophobicContact CG2-CD1 3.9Å
370	N	95.7	Very high	97	Very high	137 Å²	137	67.8 Å²	67.8	73%	0.733	38%	0.377	S	S	*	.			trans	-151.4	94.6	172.8	-179.3	6.2	0	0	0	107.8	G372 D377	N370-G372 PolarHBondContact OD1-N 3.11Å; N370-D377 WeakPolarHBondContact CA-OD2 3.44Å
371	T	95.9	Very high	97	Very high	38 Å²	38	64.6 Å²	64.6	23%	0.233	37%	0.37	C	S	.	.			trans	-93.1	-13	177	63	0	0	0	0	112	K332 A335 V369 D373 F376 D377	K332-T371 HydrophobicContact CG-CG2 4.28Å; A335-T371 HydrophobicContact CB-CG2 3.89Å; V369-T371 HydrophobicContact CG1-CG2 4.02Å; T371-D373 VanDerWaalsContact C-N 3.28Å; T371-D373 PolarHBondContact OG1-N 2.85Å; T371-F376 HydrophobicContact CG2-CD1 3.8Å; T371-F376 HydrophobicContact CG2-CE1 3.64Å; T371-F376 WeakPolarHBondContact OG1-CD1 3.21Å; T371-D377 WeakPolarHBondContact CB-OD1 3.31Å; T371-D377 VanDerWaalsContact N-CG 3.32Å; T371-D377 PolarHBondContact N-OD1 2.93Å; T371-D377 PolarHBondContact N-OD2 3.37Å; T371-D377 PolarHBondContact OG1-OD1 2.87Å
372	G	95.1	Very high	97.1	Very high	68 Å²	68	66.7 Å²	66.7	70%	0.701	38%	0.375	S	S	*	.	S	Bend	trans	90.5	-11.7	-173.5	0	0	0	0	0	113.2	N370 D377	N370-G372 PolarHBondContact OD1-N 3.11Å; G372-D377 PolarHBondContact N-OD2 2.9Å
373	D	96.9	Very high	97.2	Very high	37 Å²	37	64.9 Å²	64.9	20%	0.198	36%	0.361	C	S	.	.			trans	-91.6	112.2	171.5	-177	-43	0	0	0	109.9	K332 T371 E375 F376 D377	K332-D373 IonicContact NZ-OD2 2.73Å; K332-D373 PolarHBondContact NZ-OD2 3.24Å; T371-D373 VanDerWaalsContact C-N 3.28Å; T371-D373 PolarHBondContact OG1-N 2.85Å; D373-E375 PolarHBondContact O-N 2.96Å; D373-E375 PolarHBondContact OD1-N 2.94Å; D373-F376 HydrophobicContact CB-CB 3.91Å; D373-F376 PolarHBondContact OD1-N 2.7Å; D373-D377 WeakPolarHBondContact O-CB 3.44Å; D373-D377 PolarHBondContact O-N 2.67Å
374	K	97.4	Very high	97.4	Very high	172 Å²	172	59.2 Å²	59.2	75%	0.748	33%	0.334	S	S	*	.	H	α-helix	trans	-62.9	-39.5	-173.7	-174.3	-178.6	177.7	-175	0	113.2	T378	K374-T378 VanDerWaalsContact O-CB 3.29Å; K374-T378 WeakPolarHBondContact O-CB 3.33Å; K374-T378 PolarHBondContact O-N 3.42Å; K374-T378 PolarHBondContact O-OG1 2.98Å
375	E	97.7	Very high	97.4	Very high	124 Å²	124	60 Å²	60	58%	0.579	34%	0.338	S	S	*	.	H	α-helix	trans	-74.8	-43.8	-175.9	-69.2	-169.2	-178.4	0	0	110.6	T292 F293 D373 T378 L379	T292-E375 HydrophobicContact CG2-CB 3.68Å; F293-E375 HydrophobicContact CZ-CB 4.08Å; D373-E375 PolarHBondContact O-N 2.96Å; D373-E375 PolarHBondContact OD1-N 2.94Å; E375-T378 PolarHBondContact O-N 3.18Å; E375-L379 PolarHBondContact O-N 3.32Å; E375-L379 VanDerWaalsContact O-N 3.16Å
376	F	98.4	Very high	97.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-51.4	172.4	-176.9	-89.8	0	0	0	111.3	T292 F293 K332 A335 E336 V369 T371 D373 T378 L379 M380	T292-F376 WeakPolarHBondContact O-CD2 3.33Å; F293-F376 HydrophobicContact CD1-CD2 4.32Å; K332-F376 HydrophobicContact CB-CE1 4.21Å; K332-F376 HydrophobicContact CB-CE2 3.95Å; K332-F376 HydrophobicContact CB-CZ 3.75Å; K332-F376 HydrophobicContact CD-CD2 4.14Å; K332-F376 HydrophobicContact CD-CE2 4.34Å; K332-F376 HydrophobicContact CD-CG 4.31Å; K332-F376 HydrophobicContact CG-CD1 4.16Å; K332-F376 HydrophobicContact CG-CD2 4.24Å; K332-F376 HydrophobicContact CG-CE1 4.03Å; K332-F376 HydrophobicContact CG-CE2 4.1Å; K332-F376 HydrophobicContact CG-CG 4.27Å; K332-F376 HydrophobicContact CG-CZ 3.99Å; K332-F376 WeakPolarHBondContact O-CZ 3.48Å; A335-F376 HydrophobicContact CB-CE1 3.88Å; A335-F376 HydrophobicContact CB-CZ 4.29Å; E336-F376 HydrophobicContact CB-CZ 4.14Å; V369-F376 HydrophobicContact CG1-CE1 4.47Å; T371-F376 HydrophobicContact CG2-CD1 3.8Å; T371-F376 HydrophobicContact CG2-CE1 3.64Å; T371-F376 WeakPolarHBondContact OG1-CD1 3.21Å; D373-F376 HydrophobicContact CB-CB 3.91Å; D373-F376 PolarHBondContact OD1-N 2.7Å; F376-T378 PolarHBondContact O-N 3.09Å; F376-L379 PolarHBondContact O-N 3.34Å; F376-L379 VanDerWaalsContact O-N 3.1Å; F376-M380 HydrophobicContact CD1-CG 3.84Å; F376-M380 HydrophobicContact CD2-CE 4.08Å; F376-M380 HydrophobicContact CE1-CE 4.06Å; F376-M380 HydrophobicContact CE1-CG 3.49Å; F376-M380 VanDerWaalsContact CE1-CG 3.49Å; F376-M380 HydrophobicContact CE1-SD 4.06Å; F376-M380 HydrophobicContact CE2-CE 3.57Å; F376-M380 HydrophobicContact CZ-CE 3.56Å; F376-M380 HydrophobicContact CZ-CG 3.95Å; F376-M380 HydrophobicContact CZ-SD 3.91Å; F376-M380 WeakPolarHBondContact O-CG 3.46Å; F376-M380 PolarHBondContact O-N 3.45Å
377	D	98.2	Very high	97.6	Very high	20 Å²	20	54.7 Å²	54.7	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-32.1	-178.9	-70.7	-16.6	0	0	0	112.1	N370 T371 G372 D373 S381	N370-D377 WeakPolarHBondContact CA-OD2 3.44Å; T371-D377 WeakPolarHBondContact CB-OD1 3.31Å; T371-D377 VanDerWaalsContact N-CG 3.32Å; T371-D377 PolarHBondContact N-OD1 2.93Å; T371-D377 PolarHBondContact N-OD2 3.37Å; T371-D377 PolarHBondContact OG1-OD1 2.87Å; G372-D377 PolarHBondContact N-OD2 2.9Å; D373-D377 WeakPolarHBondContact O-CB 3.44Å; D373-D377 PolarHBondContact O-N 2.67Å; D377-S381 VanDerWaalsContact O-CB 3.23Å; D377-S381 WeakPolarHBondContact O-CB 3.27Å; D377-S381 PolarHBondContact O-N 2.91Å; D377-S381 PolarHBondContact O-OG 3.28Å
378	T	98.2	Very high	97.6	Very high	68 Å²	68	56.9 Å²	56.9	42%	0.417	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-47.5	173.9	-63.5	0	0	0	0	111.1	K374 E375 F376 S381 Q382	K374-T378 VanDerWaalsContact O-CB 3.29Å; K374-T378 WeakPolarHBondContact O-CB 3.33Å; K374-T378 PolarHBondContact O-N 3.42Å; K374-T378 PolarHBondContact O-OG1 2.98Å; E375-T378 PolarHBondContact O-N 3.18Å; F376-T378 PolarHBondContact O-N 3.09Å; T378-S381 PolarHBondContact O-N 3.3Å; T378-Q382 WeakPolarHBondContact O-CG 3.43Å; T378-Q382 PolarHBondContact O-N 2.83Å
379	L	98.3	Very high	97.7	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.047	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-42.7	178.4	-179.7	60.2	0	0	0	111.7	F293 I348 L353 E375 F376 S381 Q382 A383	F293-L379 HydrophobicContact CD1-CD2 3.76Å; F293-L379 HydrophobicContact CE1-CB 3.98Å; F293-L379 HydrophobicContact CE1-CD2 3.52Å; F293-L379 HydrophobicContact CE1-CG 4.4Å; I348-L379 HydrophobicContact CD1-CD1 4.11Å; I348-L379 HydrophobicContact CD1-CD2 4.31Å; I348-L379 HydrophobicContact CD1-CG 3.82Å; I348-L379 HydrophobicContact CG2-CD2 3.92Å; L353-L379 HydrophobicContact CB-CD1 4.15Å; E375-L379 PolarHBondContact O-N 3.32Å; E375-L379 VanDerWaalsContact O-N 3.16Å; F376-L379 PolarHBondContact O-N 3.34Å; F376-L379 VanDerWaalsContact O-N 3.1Å; L379-S381 VanDerWaalsContact C-N 3.31Å; L379-S381 PolarHBondContact O-N 3.39Å; L379-Q382 WeakPolarHBondContact O-CB 3.22Å; L379-Q382 PolarHBondContact O-N 2.97Å; L379-A383 PolarHBondContact O-N 3.28Å; L379-A383 VanDerWaalsContact O-N 3.15Å
380	M	98.5	Very high	97.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-43.3	174.1	-62.4	-57.4	126.3	0	0	111.4	E336 V339 I348 V369 F376 Q382 A383 I384	E336-M380 HydrophobicContact CB-CE 4.28Å; E336-M380 HydrophobicContact CB-SD 4.18Å; E336-M380 HydrophobicContact CG-CE 4.16Å; E336-M380 HydrophobicContact CG-SD 4.37Å; V339-M380 HydrophobicContact CB-SD 4.16Å; V339-M380 HydrophobicContact CG1-SD 4.41Å; V339-M380 HydrophobicContact CG2-CB 4.17Å; V339-M380 HydrophobicContact CG2-CG 4.49Å; V339-M380 HydrophobicContact CG2-SD 3.88Å; I348-M380 HydrophobicContact CB-CE 4.34Å; I348-M380 HydrophobicContact CD1-CE 4.26Å; I348-M380 HydrophobicContact CG1-CE 3.77Å; I348-M380 HydrophobicContact CG1-SD 4.14Å; I348-M380 HydrophobicContact CG2-CE 3.87Å; V369-M380 HydrophobicContact CB-CB 3.97Å; V369-M380 HydrophobicContact CG1-CB 3.9Å; V369-M380 HydrophobicContact CG1-CG 3.97Å; V369-M380 HydrophobicContact CG2-CB 4.17Å; F376-M380 HydrophobicContact CD1-CG 3.84Å; F376-M380 HydrophobicContact CD2-CE 4.08Å; F376-M380 HydrophobicContact CE1-CE 4.06Å; F376-M380 HydrophobicContact CE1-CG 3.49Å; F376-M380 VanDerWaalsContact CE1-CG 3.49Å; F376-M380 HydrophobicContact CE1-SD 4.06Å; F376-M380 HydrophobicContact CE2-CE 3.57Å; F376-M380 HydrophobicContact CZ-CE 3.56Å; F376-M380 HydrophobicContact CZ-CG 3.95Å; F376-M380 HydrophobicContact CZ-SD 3.91Å; F376-M380 WeakPolarHBondContact O-CG 3.46Å; F376-M380 PolarHBondContact O-N 3.45Å; M380-Q382 VanDerWaalsContact C-N 3.34Å; M380-Q382 PolarHBondContact O-N 3.02Å; M380-A383 PolarHBondContact O-N 3.39Å; M380-I384 VanDerWaalsContact O-CG1 3.29Å; M380-I384 WeakPolarHBondContact O-CG1 3.4Å; M380-I384 PolarHBondContact O-N 3.43Å
381	S	97.9	Very high	97.9	Very high	52 Å²	52	50 Å²	50	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-34.5	177.8	-63.4	0	0	0	0	112.7	D377 T378 L379 I384 T385	D377-S381 VanDerWaalsContact O-CB 3.23Å; D377-S381 WeakPolarHBondContact O-CB 3.27Å; D377-S381 PolarHBondContact O-N 2.91Å; D377-S381 PolarHBondContact O-OG 3.28Å; T378-S381 PolarHBondContact O-N 3.3Å; L379-S381 VanDerWaalsContact C-N 3.31Å; L379-S381 PolarHBondContact O-N 3.39Å; S381-I384 PolarHBondContact O-N 3.17Å; S381-T385 VanDerWaalsContact O-CB 3.29Å; S381-T385 WeakPolarHBondContact O-CB 3.46Å; S381-T385 PolarHBondContact O-N 2.96Å; S381-T385 PolarHBondContact O-OG1 3.37Å
382	Q	98.2	Very high	98	Very high	104 Å²	104	52 Å²	52	49%	0.486	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-46.1	173.5	-74.3	173.8	-19.1	0	0	111.4	T378 L379 M380 T385 N386	T378-Q382 WeakPolarHBondContact O-CG 3.43Å; T378-Q382 PolarHBondContact O-N 2.83Å; L379-Q382 WeakPolarHBondContact O-CB 3.22Å; L379-Q382 PolarHBondContact O-N 2.97Å; M380-Q382 VanDerWaalsContact C-N 3.34Å; M380-Q382 PolarHBondContact O-N 3.02Å; Q382-T385 PolarHBondContact O-N 3.04Å; Q382-N386 PolarHBondContact O-N 3.39Å
383	A	98.6	Very high	98.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-48.1	174.5	0	0	0	0	0	111.5	V339 F343 I348 L353 L379 M380 T385 N386 A387	V339-A383 HydrophobicContact CG1-CB 3.39Å; F343-A383 HydrophobicContact CE2-CB 4.17Å; F343-A383 HydrophobicContact CZ-CB 4.37Å; F343-A383 WeakPolarHBondContact CZ-O 3.33Å; I348-A383 HydrophobicContact CD1-CB 3.87Å; L353-A383 HydrophobicContact CD1-CB 3.6Å; L379-A383 PolarHBondContact O-N 3.28Å; L379-A383 VanDerWaalsContact O-N 3.15Å; M380-A383 PolarHBondContact O-N 3.39Å; A383-T385 VanDerWaalsContact C-N 3.27Å; A383-T385 PolarHBondContact O-N 2.97Å; A383-N386 WeakPolarHBondContact O-CB 3.45Å; A383-N386 PolarHBondContact O-N 3.17Å; A383-N386 VanDerWaalsContact O-N 3.1Å; A383-A387 PolarHBondContact O-N 3.01Å
384	I	98.6	Very high	98.3	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-40.4	177.3	-68	164.3	0	0	0	111.4	V339 L342 V365 L367 V369 M380 S381 A387 K388	V339-I384 HydrophobicContact CG2-CD1 4.04Å; V339-I384 HydrophobicContact CG2-CG1 4.01Å; L342-I384 HydrophobicContact CD1-CG1 4.43Å; V365-I384 HydrophobicContact CG1-CG2 4.25Å; L367-I384 HydrophobicContact CB-CD1 4.41Å; L367-I384 HydrophobicContact CB-CG1 4.49Å; L367-I384 HydrophobicContact CD2-CD1 4.1Å; L367-I384 HydrophobicContact CD2-CG1 4.13Å; L367-I384 HydrophobicContact CG-CD1 3.97Å; L367-I384 HydrophobicContact CG-CG1 4.35Å; V369-I384 HydrophobicContact CB-CD1 4.33Å; V369-I384 HydrophobicContact CG2-CD1 3.9Å; M380-I384 VanDerWaalsContact O-CG1 3.29Å; M380-I384 WeakPolarHBondContact O-CG1 3.4Å; M380-I384 PolarHBondContact O-N 3.43Å; S381-I384 PolarHBondContact O-N 3.17Å; I384-A387 PolarHBondContact O-N 3.44Å; I384-K388 HydrophobicContact CG2-CD 4.16Å; I384-K388 WeakPolarHBondContact O-CG 3.39Å; I384-K388 PolarHBondContact O-N 2.76Å
385	T	98.3	Very high	98.3	Very high	90 Å²	90	48.4 Å²	48.4	55%	0.552	25%	0.249	S	C	*	.	H	α-helix	trans	-64.2	-42	176.9	-59.8	0	0	0	0	111.2	S381 Q382 A383 K388 D389	S381-T385 VanDerWaalsContact O-CB 3.29Å; S381-T385 WeakPolarHBondContact O-CB 3.46Å; S381-T385 PolarHBondContact O-N 2.96Å; S381-T385 PolarHBondContact O-OG1 3.37Å; Q382-T385 PolarHBondContact O-N 3.04Å; A383-T385 VanDerWaalsContact C-N 3.27Å; A383-T385 PolarHBondContact O-N 2.97Å; T385-K388 PolarHBondContact O-N 2.86Å; T385-D389 PolarHBondContact O-N 3.41Å
386	N	98.2	Very high	98.3	Very high	46 Å²	46	45 Å²	45	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-43.2	174.5	-175.1	-78.1	0	0	0	111.9	Q382 A383 D389 Q390	Q382-N386 PolarHBondContact O-N 3.39Å; A383-N386 WeakPolarHBondContact O-CB 3.45Å; A383-N386 PolarHBondContact O-N 3.17Å; A383-N386 VanDerWaalsContact O-N 3.1Å; N386-D389 PolarHBondContact O-N 3.23Å; N386-Q390 PolarHBondContact O-N 2.95Å; N386-Q390 PolarHBondContact OD1-NE2 2.95Å
387	A	98.6	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-43	175.1	0	0	0	0	0	112.1	L342 F343 L359 V365 A383 I384 Q390 Y391	L342-A387 HydrophobicContact CB-CB 4.39Å; L342-A387 HydrophobicContact CD1-CB 4Å; F343-A387 HydrophobicContact CE1-CB 4.06Å; F343-A387 HydrophobicContact CE2-CB 4.45Å; F343-A387 HydrophobicContact CZ-CB 3.75Å; L359-A387 HydrophobicContact CD1-CB 3.86Å; V365-A387 HydrophobicContact CG1-CB 4.19Å; V365-A387 HydrophobicContact CG2-CB 3.99Å; A383-A387 PolarHBondContact O-N 3.01Å; I384-A387 PolarHBondContact O-N 3.44Å; A387-Q390 PolarHBondContact O-N 3.21Å; A387-Y391 WeakPolarHBondContact O-CB 3.39Å; A387-Y391 PolarHBondContact O-N 3.09Å
388	K	98.4	Very high	98.3	Very high	88 Å²	88	48.4 Å²	48.4	38%	0.383	26%	0.256	S	S	.	.	H	α-helix	trans	-63	-42.2	176.1	-75.3	174.7	179.8	175.9	0	112.8	V365 I384 T385 Y391 T392	V365-K388 HydrophobicContact CB-CG 3.82Å; V365-K388 HydrophobicContact CG1-CG 3.98Å; V365-K388 VanDerWaalsContact O-CE 3.24Å; V365-K388 WeakPolarHBondContact O-CE 3.33Å; I384-K388 HydrophobicContact CG2-CD 4.16Å; I384-K388 WeakPolarHBondContact O-CG 3.39Å; I384-K388 PolarHBondContact O-N 2.76Å; T385-K388 PolarHBondContact O-N 2.86Å; K388-Y391 PolarHBondContact O-N 3.48Å; K388-T392 WeakPolarHBondContact O-CB 3.46Å; K388-T392 PolarHBondContact O-N 3.33Å; K388-T392 PolarHBondContact O-OG1 3.32Å
389	D	98.1	Very high	98.3	Very high	70 Å²	70	52.4 Å²	52.4	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-45.3	175.8	172.9	68.1	0	0	0	111.4	T385 N386 T392 K393	T385-D389 PolarHBondContact O-N 3.41Å; N386-D389 PolarHBondContact O-N 3.23Å; D389-T392 PolarHBondContact O-N 2.96Å; D389-K393 WeakPolarHBondContact O-CG 3.41Å; D389-K393 PolarHBondContact O-N 2.95Å; D389-K393 WeakPolarHBondContact OD1-CE 3.14Å; D389-K393 IonicContact OD1-NZ 3.79Å; D389-K393 PolarHBondContact OD1-NZ 3.46Å; D389-K393 WeakPolarHBondContact OD2-CE 3.46Å; D389-K393 IonicContact OD2-NZ 3.58Å; D389-K393 PolarHBondContact OD2-NZ 3.48Å
390	Q	98.6	Very high	98.3	Very high	12 Å²	12	53 Å²	53	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-43.7	175.4	-74.2	-174.6	59.6	0	0	112.8	P357 L359 N386 A387 T392 K393 F394 A430	P357-Q390 PolarHBondContact O-NE2 3.45Å; L359-Q390 HydrophobicContact CB-CB 4.12Å; L359-Q390 HydrophobicContact CD2-CB 4.4Å; N386-Q390 PolarHBondContact O-N 2.95Å; N386-Q390 PolarHBondContact OD1-NE2 2.95Å; A387-Q390 PolarHBondContact O-N 3.21Å; Q390-T392 VanDerWaalsContact C-N 3.33Å; Q390-T392 PolarHBondContact O-N 3.38Å; Q390-K393 PolarHBondContact O-N 3.39Å; Q390-F394 PolarHBondContact O-N 3.21Å; Q390-A430 HydrophobicContact CG-CB 4.15Å
391	Y	98.4	Very high	98.3	Very high	45 Å²	45	53.1 Å²	53.1	18%	0.176	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-43.2	175.9	176.7	-102.6	0	0	0	111.7	E363 P364 A387 K388 K393 F394 E395	E363-Y391 VanDerWaalsContact C-CD2 3.47Å; E363-Y391 WeakPolarHBondContact O-CD2 3.46Å; P364-Y391 HydrophobicContact CB-CE1 4.12Å; P364-Y391 HydrophobicContact CG-CE1 4.36Å; P364-Y391 HydrophobicContact CG-CE2 4.37Å; P364-Y391 WeakPolarHBondContact CG-OH 3.32Å; A387-Y391 WeakPolarHBondContact O-CB 3.39Å; A387-Y391 PolarHBondContact O-N 3.09Å; K388-Y391 PolarHBondContact O-N 3.48Å; Y391-K393 VanDerWaalsContact C-N 3.32Å; Y391-K393 PolarHBondContact O-N 3.06Å; Y391-F394 HydrophobicContact CE2-CD1 4.41Å; Y391-F394 WeakPolarHBondContact O-CB 3.26Å; Y391-F394 PolarHBondContact O-N 2.99Å; Y391-F394 VanDerWaalsContact O-N 3.17Å; Y391-E395 PolarHBondContact O-N 2.78Å
392	T	98.3	Very high	98.2	Very high	81 Å²	81	53.9 Å²	53.9	50%	0.497	27%	0.274	S	S	.	.	H	α-helix	trans	-60.6	-41.4	177.7	-55.7	0	0	0	0	111.6	K388 D389 Q390 E395 A396	K388-T392 WeakPolarHBondContact O-CB 3.46Å; K388-T392 PolarHBondContact O-N 3.33Å; K388-T392 PolarHBondContact O-OG1 3.32Å; D389-T392 PolarHBondContact O-N 2.96Å; Q390-T392 VanDerWaalsContact C-N 3.33Å; Q390-T392 PolarHBondContact O-N 3.38Å; T392-E395 PolarHBondContact O-N 3.27Å; T392-A396 WeakPolarHBondContact O-CB 3.4Å; T392-A396 PolarHBondContact O-N 3.13Å
393	K	98.4	Very high	98.2	Very high	82 Å²	82	52.5 Å²	52.5	36%	0.357	28%	0.276	S	S	.	.	H	α-helix	trans	-66	-41.1	175.3	-72.3	168.5	-179.3	160.5	0	112.1	D389 Q390 Y391 A396 A397 V429	D389-K393 WeakPolarHBondContact O-CG 3.41Å; D389-K393 PolarHBondContact O-N 2.95Å; D389-K393 WeakPolarHBondContact OD1-CE 3.14Å; D389-K393 IonicContact OD1-NZ 3.79Å; D389-K393 PolarHBondContact OD1-NZ 3.46Å; D389-K393 WeakPolarHBondContact OD2-CE 3.46Å; D389-K393 IonicContact OD2-NZ 3.58Å; D389-K393 PolarHBondContact OD2-NZ 3.48Å; Q390-K393 PolarHBondContact O-N 3.39Å; Y391-K393 VanDerWaalsContact C-N 3.32Å; Y391-K393 PolarHBondContact O-N 3.06Å; K393-A396 PolarHBondContact O-N 3.19Å; K393-A397 WeakPolarHBondContact O-CB 3.34Å; K393-A397 PolarHBondContact O-N 3.17Å; K393-V429 HydrophobicContact CB-CG2 4.46Å
394	F	98.5	Very high	98.2	Very high	18 Å²	18	52.6 Å²	52.6	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-47.3	173	167.8	-92	0	0	0	111.7	A362 Q390 Y391 A396 A397 K398 V429 L434 V435	A362-F394 HydrophobicContact CB-CD1 3.86Å; A362-F394 HydrophobicContact CB-CD2 4.16Å; A362-F394 HydrophobicContact CB-CE1 3.52Å; A362-F394 HydrophobicContact CB-CE2 3.83Å; A362-F394 HydrophobicContact CB-CG 4.18Å; A362-F394 HydrophobicContact CB-CZ 3.49Å; A362-F394 VanDerWaalsContact CB-CZ 3.49Å; Q390-F394 PolarHBondContact O-N 3.21Å; Y391-F394 HydrophobicContact CE2-CD1 4.41Å; Y391-F394 WeakPolarHBondContact O-CB 3.26Å; Y391-F394 PolarHBondContact O-N 2.99Å; Y391-F394 VanDerWaalsContact O-N 3.17Å; F394-A396 VanDerWaalsContact C-N 3.35Å; F394-A396 PolarHBondContact O-N 2.82Å; F394-A397 WeakPolarHBondContact O-CB 3.5Å; F394-A397 PolarHBondContact O-N 2.94Å; F394-K398 HydrophobicContact CE1-CD 4.39Å; F394-K398 HydrophobicContact CZ-CB 4.47Å; F394-K398 HydrophobicContact CZ-CD 4.31Å; F394-K398 PolarHBondContact O-N 2.72Å; F394-V429 HydrophobicContact CB-CG1 4.31Å; F394-V429 HydrophobicContact CB-CG2 4.49Å; F394-L434 HydrophobicContact CD2-CB 4.06Å; F394-L434 HydrophobicContact CE2-CB 4.33Å; F394-L434 VanDerWaalsContact CE2-O 3.26Å; F394-L434 WeakPolarHBondContact CE2-O 3.18Å; F394-V435 HydrophobicContact CD2-CG1 3.79Å; F394-V435 HydrophobicContact CE2-CG1 4.18Å
395	E	98.2	Very high	98.1	Very high	101 Å²	101	53.6 Å²	53.6	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-42.8	179.2	-164.3	-163.7	170	0	0	111.4	Y391 T392 A397 K398 K399	Y391-E395 PolarHBondContact O-N 2.78Å; T392-E395 PolarHBondContact O-N 3.27Å; E395-A397 PolarHBondContact O-N 3.05Å; E395-K398 PolarHBondContact O-N 3.46Å; E395-K399 WeakPolarHBondContact O-CB 3.3Å; E395-K399 PolarHBondContact O-N 3.22Å
396	A	98.2	Very high	97.9	Very high	52 Å²	52	56 Å²	56	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-42.6	175	0	0	0	0	0	112.1	T392 K393 F394 A400	T392-A396 WeakPolarHBondContact O-CB 3.4Å; T392-A396 PolarHBondContact O-N 3.13Å; K393-A396 PolarHBondContact O-N 3.19Å; F394-A396 VanDerWaalsContact C-N 3.35Å; F394-A396 PolarHBondContact O-N 2.82Å; A396-A400 VanDerWaalsContact O-CB 3.27Å; A396-A400 WeakPolarHBondContact O-CB 3.45Å; A396-A400 PolarHBondContact O-N 3.02Å
397	A	98.5	Very high	97.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-47.3	175.9	0	0	0	0	0	112.1	K393 F394 E395 A400 A401 A425 V426 V429 V435	K393-A397 WeakPolarHBondContact O-CB 3.34Å; K393-A397 PolarHBondContact O-N 3.17Å; F394-A397 WeakPolarHBondContact O-CB 3.5Å; F394-A397 PolarHBondContact O-N 2.94Å; E395-A397 PolarHBondContact O-N 3.05Å; A397-A400 PolarHBondContact O-N 3.22Å; A397-A401 PolarHBondContact O-N 3Å; A397-A425 HydrophobicContact CB-CB 4.25Å; A397-V426 HydrophobicContact CB-CG2 3.97Å; A397-V429 HydrophobicContact CB-CG2 3.66Å; A397-V435 HydrophobicContact CB-CG1 4.29Å
398	K	97.9	Very high	97	Very high	93 Å²	93	63.3 Å²	63.3	40%	0.404	34%	0.337	S	S	.	.	H	α-helix	trans	-58.6	-52	175.7	175.7	169.3	178.6	157.8	0	111.4	F394 E395 A400 A401 D402	F394-K398 HydrophobicContact CE1-CD 4.39Å; F394-K398 HydrophobicContact CZ-CB 4.47Å; F394-K398 HydrophobicContact CZ-CD 4.31Å; F394-K398 PolarHBondContact O-N 2.72Å; E395-K398 PolarHBondContact O-N 3.46Å; K398-A400 VanDerWaalsContact C-N 3.28Å; K398-A400 PolarHBondContact O-N 2.88Å; K398-A401 PolarHBondContact O-N 2.98Å; K398-D402 WeakPolarHBondContact CE-OD2 3.44Å; K398-D402 WeakPolarHBondContact CG-OD2 3.47Å; K398-D402 WeakPolarHBondContact O-CB 3.49Å; K398-D402 VanDerWaalsContact O-CG 3.24Å; K398-D402 PolarHBondContact O-N 3.49Å
399	K	97.8	Very high	96.8	Very high	152 Å²	152	64.5 Å²	64.5	66%	0.661	35%	0.348	S	S	*	.	H	α-helix	trans	-59.1	-40.1	178.9	-176.7	177.1	180	177	0	112.2	E395 S403	E395-K399 WeakPolarHBondContact O-CB 3.3Å; E395-K399 PolarHBondContact O-N 3.22Å; K399-S403 WeakPolarHBondContact O-CB 3.48Å; K399-S403 PolarHBondContact O-N 3.23Å
400	A	98.2	Very high	96.7	Very high	22 Å²	22	62.3 Å²	62.3	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-67.1	-43.4	178.9	0	0	0	0	0	111.7	A396 A397 K398 S403 A422 A425	A396-A400 VanDerWaalsContact O-CB 3.27Å; A396-A400 WeakPolarHBondContact O-CB 3.45Å; A396-A400 PolarHBondContact O-N 3.02Å; A397-A400 PolarHBondContact O-N 3.22Å; K398-A400 VanDerWaalsContact C-N 3.28Å; K398-A400 PolarHBondContact O-N 2.88Å; A400-S403 PolarHBondContact O-N 3.17Å; A400-S403 PolarHBondContact O-OG 3.32Å; A400-A422 HydrophobicContact CB-CB 3.84Å; A400-A425 HydrophobicContact CB-CB 4.17Å
401	A	97.9	Very high	96.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-65.7	-48.8	175.4	0	0	0	0	0	112.2	A397 K398 S403 L404 Q438	A397-A401 PolarHBondContact O-N 3Å; K398-A401 PolarHBondContact O-N 2.98Å; A401-S403 PolarHBondContact O-N 2.96Å; A401-L404 WeakPolarHBondContact O-CB 3.17Å; A401-L404 PolarHBondContact O-N 2.91Å; A401-Q438 HydrophobicContact CB-CB 3.96Å; A401-Q438 HydrophobicContact CB-CG 3.69Å
402	D	96.9	Very high	96.4	Very high	69 Å²	69	68.5 Å²	68.5	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-57.3	-34.8	177.8	-71.5	-11.3	0	0	0	111.2	K398 L404 L405	K398-D402 WeakPolarHBondContact CE-OD2 3.44Å; K398-D402 WeakPolarHBondContact CG-OD2 3.47Å; K398-D402 WeakPolarHBondContact O-CB 3.49Å; K398-D402 VanDerWaalsContact O-CG 3.24Å; K398-D402 PolarHBondContact O-N 3.49Å; D402-L404 PolarHBondContact O-N 2.78Å; D402-L404 VanDerWaalsContact O-N 3.15Å; D402-L405 PolarHBondContact O-N 3.31Å; D402-L405 VanDerWaalsContact O-N 3.07Å
403	S	97.4	Very high	96.3	Very high	75 Å²	75	69 Å²	69	52%	0.524	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.7	179	77.4	0	0	0	0	114.9	K399 A400 A401 I411	K399-S403 WeakPolarHBondContact O-CB 3.48Å; K399-S403 PolarHBondContact O-N 3.23Å; A400-S403 PolarHBondContact O-N 3.17Å; A400-S403 PolarHBondContact O-OG 3.32Å; A401-S403 PolarHBondContact O-N 2.96Å; S403-I411 WeakPolarHBondContact O-CD1 3.47Å
404	L	98.2	Very high	96.3	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-6.8	176.9	-49.3	-173.6	0	0	0	112.3	A401 D402 I411 V414 Q418 A422 L442 V445	A401-L404 WeakPolarHBondContact O-CB 3.17Å; A401-L404 PolarHBondContact O-N 2.91Å; D402-L404 PolarHBondContact O-N 2.78Å; D402-L404 VanDerWaalsContact O-N 3.15Å; L404-I411 PolarHBondContact O-N 3.06Å; L404-V414 HydrophobicContact CB-CG1 4.44Å; L404-V414 HydrophobicContact CB-CG2 4.08Å; L404-V414 HydrophobicContact CD2-CG1 4.2Å; L404-V414 HydrophobicContact CD2-CG2 4.21Å; L404-Q418 HydrophobicContact CD2-CB 3.71Å; L404-A422 HydrophobicContact CD1-CB 3.71Å; L404-A422 HydrophobicContact CG-CB 4.38Å; L404-L442 HydrophobicContact CD1-CD2 3.81Å; L404-V445 HydrophobicContact CB-CG1 4.46Å; L404-V445 HydrophobicContact CB-CG2 4.1Å; L404-V445 HydrophobicContact CD1-CG1 4.01Å; L404-V445 HydrophobicContact CD1-CG2 4.47Å
405	L	96.8	Very high	96.2	Very high	26 Å²	26	68.2 Å²	68.2	14%	0.136	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140	-172.4	-64.3	167.2	0	0	0	110.5	D402 N409 V410 E441 V445	D402-L405 PolarHBondContact O-N 3.31Å; D402-L405 VanDerWaalsContact O-N 3.07Å; L405-N409 CarbonylContact C-O 3.51Å; L405-N409 VanDerWaalsContact CA-O 3.24Å; L405-N409 WeakPolarHBondContact CA-O 3.14Å; L405-V410 HydrophobicContact CD2-CG2 4.12Å; L405-E441 HydrophobicContact CD1-CB 3.77Å; L405-E441 HydrophobicContact CD1-CG 3.66Å; L405-V445 HydrophobicContact CD2-CG2 4.05Å; L405-V445 HydrophobicContact CG-CG2 4.44Å
406	K	93.9	Very high	96.2	Very high	140 Å²	140	66.6 Å²	66.6	61%	0.609	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	121.4	168.9	-177.2	174.8	-178.5	-177.9	0	108	G408 N409 I411	K406-G408 PolarHBondContact O-N 3.47Å; K406-N409 PolarHBondContact N-O 2.93Å; K406-N409 PolarHBondContact O-N 2.94Å; K406-I411 HydrophobicContact CB-CD1 4.11Å; K406-I411 HydrophobicContact CB-CG1 3.6Å
407	D	90.5	Very high	96.2	Very high	144 Å²	144	69.2 Å²	69.2	77%	0.77	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	37.6	-177.2	-51.6	-47.3	0	0	0	112.7	N409	D407-N409 PolarHBondContact O-N 3.39Å; D407-N409 PolarHBondContact O-ND2 3.39Å
408	G	88.4	Confident	96.1	Very high	57 Å²	57	72.7 Å²	72.7	59%	0.588	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-1.7	-178.4	0	0	0	0	0	115.6	K406	K406-G408 PolarHBondContact O-N 3.47Å
409	N	93.5	Very high	96.2	Very high	113 Å²	113	69.8 Å²	69.8	60%	0.604	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	149.2	177.9	-61.7	-70.3	0	0	0	111.2	L405 K406 D407 I411	L405-N409 CarbonylContact C-O 3.51Å; L405-N409 VanDerWaalsContact CA-O 3.24Å; L405-N409 WeakPolarHBondContact CA-O 3.14Å; K406-N409 PolarHBondContact N-O 2.93Å; K406-N409 PolarHBondContact O-N 2.94Å; D407-N409 PolarHBondContact O-N 3.39Å; D407-N409 PolarHBondContact O-ND2 3.39Å; N409-I411 PolarHBondContact O-N 3.29Å
410	V	96.7	Very high	96.2	Very high	24 Å²	24	65.5 Å²	65.5	15%	0.145	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.2	177.7	-174.2	0	0	0	0	109.8	L405 V414 V445 T448	L405-V410 HydrophobicContact CD2-CG2 4.12Å; V410-V414 HydrophobicContact CG1-CB 4.22Å; V410-V414 HydrophobicContact CG1-CG1 4.49Å; V410-V414 HydrophobicContact CG1-CG2 4.39Å; V410-V445 HydrophobicContact CG1-CG1 4.2Å; V410-V445 HydrophobicContact CG1-CG2 4.34Å; V410-V445 HydrophobicContact CG2-CB 4.38Å; V410-V445 HydrophobicContact CG2-CG2 3.94Å; V410-T448 HydrophobicContact CB-CG2 3.99Å; V410-T448 HydrophobicContact CG1-CG2 4.08Å; V410-T448 HydrophobicContact CG2-CG2 4.24Å; V410-T448 WeakPolarHBondContact CG2-OG1 3.32Å
411	I	96.6	Very high	96.2	Very high	51 Å²	51	71.7 Å²	71.7	26%	0.262	39%	0.387	S	S	.	.			trans	-64	138.2	179.8	-64.3	169	0	0	0	109.5	S403 L404 K406 N409 S413 V414	S403-I411 WeakPolarHBondContact O-CD1 3.47Å; L404-I411 PolarHBondContact O-N 3.06Å; K406-I411 HydrophobicContact CB-CD1 4.11Å; K406-I411 HydrophobicContact CB-CG1 3.6Å; N409-I411 PolarHBondContact O-N 3.29Å; I411-S413 VanDerWaalsContact C-N 3.27Å; I411-S413 WeakPolarHBondContact CG2-OG 3.29Å; I411-S413 PolarHBondContact O-N 3.42Å; I411-V414 HydrophobicContact CB-CG2 3.77Å; I411-V414 HydrophobicContact CG2-CG2 4.46Å; I411-V414 WeakPolarHBondContact O-CB 3.42Å; I411-V414 VanDerWaalsContact O-CG2 3.27Å; I411-V414 WeakPolarHBondContact O-CG2 3.44Å; I411-V414 PolarHBondContact O-N 2.86Å
412	D	94.3	Very high	96.2	Very high	136 Å²	136	71.7 Å²	71.7	73%	0.727	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.6	-170.4	-87.5	-34.7	0	0	0	115.1	V414 K452	D412-V414 PolarHBondContact O-N 3.44Å; D412-K452 VanDerWaalsContact CA-NZ 3.26Å; D412-K452 PolarHBondContact O-NZ 3.47Å; D412-K452 IonicContact OD1-NZ 3.71Å; D412-K452 PolarHBondContact OD1-NZ 3.25Å
413	S	95.6	Very high	96.3	Very high	92 Å²	92	69.7 Å²	69.7	64%	0.643	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	0.8	178.7	63.9	0	0	0	0	114.5	I411 Q418	I411-S413 VanDerWaalsContact C-N 3.27Å; I411-S413 WeakPolarHBondContact CG2-OG 3.29Å; I411-S413 PolarHBondContact O-N 3.42Å; S413-Q418 PolarHBondContact O-OE1 2.87Å
414	V	97.4	Very high	96.4	Very high	11 Å²	11	70.7 Å²	70.7	7%	0.067	38%	0.376	C	S	.	.			trans	-65.6	137.9	-179.6	173.9	0	0	0	0	110.2	L404 V410 I411 D412 Q418 V445 L449	L404-V414 HydrophobicContact CB-CG1 4.44Å; L404-V414 HydrophobicContact CB-CG2 4.08Å; L404-V414 HydrophobicContact CD2-CG1 4.2Å; L404-V414 HydrophobicContact CD2-CG2 4.21Å; V410-V414 HydrophobicContact CG1-CB 4.22Å; V410-V414 HydrophobicContact CG1-CG1 4.49Å; V410-V414 HydrophobicContact CG1-CG2 4.39Å; I411-V414 HydrophobicContact CB-CG2 3.77Å; I411-V414 HydrophobicContact CG2-CG2 4.46Å; I411-V414 WeakPolarHBondContact O-CB 3.42Å; I411-V414 VanDerWaalsContact O-CG2 3.27Å; I411-V414 WeakPolarHBondContact O-CG2 3.44Å; I411-V414 PolarHBondContact O-N 2.86Å; D412-V414 PolarHBondContact O-N 3.44Å; V414-Q418 VanDerWaalsContact CA-OE1 3.26Å; V414-V445 HydrophobicContact CG1-CG1 3.95Å; V414-L449 HydrophobicContact CG1-CD1 4.22Å; V414-L449 HydrophobicContact CG1-CD2 4.18Å; V414-L449 HydrophobicContact CG1-CG 4.43Å; V414-L449 VanDerWaalsContact O-CD2 3.29Å; V414-L449 WeakPolarHBondContact O-CD2 3.42Å
415	N	96.7	Very high	96.4	Very high	71 Å²	71	71.7 Å²	71.7	38%	0.38	39%	0.385	S	S	.	.			trans	-126	172.9	175.5	64.6	45.8	0	0	0	112.3	D417 Q418 Y419	N415-D417 VanDerWaalsContact C-N 3.3Å; N415-D417 PolarHBondContact O-N 3.23Å; N415-D417 PolarHBondContact OD1-N 3.25Å; N415-D417 VanDerWaalsContact OD1-N 3.15Å; N415-Q418 PolarHBondContact O-N 3.36Å; N415-Q418 WeakPolarHBondContact OD1-CG 3.35Å; N415-Q418 PolarHBondContact OD1-N 2.84Å; N415-Y419 PolarHBondContact O-N 3.14Å; N415-Y419 VanDerWaalsContact O-N 3.13Å
416	R	97.8	Very high	96.5	Very high	67 Å²	67	70.6 Å²	70.6	25%	0.253	38%	0.379	S	S	.	.	H	α-helix	trans	-58.4	-37.1	-177.7	-174	57.6	65.1	170.6	2.8	113.6	Y419 N420 D446 E453	R416-Y419 PolarHBondContact O-N 3.5Å; R416-N420 WeakPolarHBondContact O-CB 3.48Å; R416-N420 PolarHBondContact O-N 2.85Å; R416-N420 PolarHBondContact O-ND2 3.36Å; R416-D446 IonicContact CZ-OD1 2.68Å; R416-D446 IonicContact NH1-OD1 2.92Å; R416-D446 PolarHBondContact NH1-OD1 2.74Å; R416-D446 IonicContact NH2-OD1 2.9Å; R416-E453 IonicContact CZ-OE1 3.03Å; R416-E453 IonicContact CZ-OE2 3.6Å; R416-E453 IonicContact NE-OE1 2.67Å; R416-E453 PolarHBondContact NE-OE1 2.88Å; R416-E453 IonicContact NE-OE2 2.73Å; R416-E453 IonicContact NH2-OE1 2.69Å; R416-E453 PolarHBondContact NH2-OE1 3.45Å; R416-E453 IonicContact NH2-OE2 2.65Å; R416-E453 PolarHBondContact NH2-OE2 2.98Å
417	D	98.1	Very high	96.7	Very high	107 Å²	107	70.3 Å²	70.3	57%	0.572	38%	0.378	S	S	*	.	H	α-helix	trans	-68.2	-39.3	179.8	-68.8	-21.4	0	0	0	112.1	N415 N420 K421	N415-D417 VanDerWaalsContact C-N 3.3Å; N415-D417 PolarHBondContact O-N 3.23Å; N415-D417 PolarHBondContact OD1-N 3.25Å; N415-D417 VanDerWaalsContact OD1-N 3.15Å; D417-N420 PolarHBondContact O-N 3.19Å; D417-K421 VanDerWaalsContact O-CG 3.31Å; D417-K421 WeakPolarHBondContact O-CG 3.45Å; D417-K421 PolarHBondContact O-N 3.27Å
418	Q	98.2	Very high	97	Very high	74 Å²	74	66 Å²	66	35%	0.346	36%	0.363	S	S	.	.	H	α-helix	trans	-66.5	-42	175.8	-70.2	171.4	-45.1	0	0	111.5	L404 S413 V414 N415 K421 A422	L404-Q418 HydrophobicContact CD2-CB 3.71Å; S413-Q418 PolarHBondContact O-OE1 2.87Å; V414-Q418 VanDerWaalsContact CA-OE1 3.26Å; N415-Q418 PolarHBondContact O-N 3.36Å; N415-Q418 WeakPolarHBondContact OD1-CG 3.35Å; N415-Q418 PolarHBondContact OD1-N 2.84Å; Q418-K421 PolarHBondContact O-N 3.15Å; Q418-A422 PolarHBondContact O-N 3.06Å; Q418-A422 VanDerWaalsContact O-N 3.09Å
419	Y	98.5	Very high	97.5	Very high	31 Å²	31	63.6 Å²	63.6	12%	0.122	34%	0.336	C	S	.	.	H	α-helix	trans	-58.3	-49.6	171.7	166.3	-96.4	0	0	0	111.9	N415 R416 K421 A422 N423 L442 V445 D446 L449	N415-Y419 PolarHBondContact O-N 3.14Å; N415-Y419 VanDerWaalsContact O-N 3.13Å; R416-Y419 PolarHBondContact O-N 3.5Å; Y419-K421 VanDerWaalsContact C-N 3.33Å; Y419-K421 PolarHBondContact O-N 2.93Å; Y419-A422 PolarHBondContact O-N 2.94Å; Y419-N423 HydrophobicContact CE1-CB 4.43Å; Y419-N423 WeakPolarHBondContact O-CB 3.24Å; Y419-N423 PolarHBondContact O-N 3.31Å; Y419-L442 HydrophobicContact CD2-CD2 3.98Å; Y419-L442 HydrophobicContact CE2-CB 4Å; Y419-L442 HydrophobicContact CE2-CD2 4.17Å; Y419-L442 VanDerWaalsContact CE2-O 3.32Å; Y419-L442 WeakPolarHBondContact CE2-O 3.4Å; Y419-V445 HydrophobicContact CD2-CB 4.21Å; Y419-V445 HydrophobicContact CD2-CG1 3.9Å; Y419-D446 HydrophobicContact CD2-CB 4.4Å; Y419-D446 HydrophobicContact CE2-CB 3.7Å; Y419-L449 HydrophobicContact CG-CD1 4.07Å
420	N	98.5	Very high	97.7	Very high	62 Å²	62	60.7 Å²	60.7	33%	0.332	33%	0.328	S	S	.	.	H	α-helix	trans	-59.5	-44.5	-179.3	-71.7	-21.3	0	0	0	111.3	R416 D417 A422 N423 D424	R416-N420 WeakPolarHBondContact O-CB 3.48Å; R416-N420 PolarHBondContact O-N 2.85Å; R416-N420 PolarHBondContact O-ND2 3.36Å; D417-N420 PolarHBondContact O-N 3.19Å; N420-A422 PolarHBondContact O-N 3.4Å; N420-N423 PolarHBondContact O-N 2.94Å; N420-D424 WeakPolarHBondContact O-CB 3.49Å; N420-D424 PolarHBondContact O-N 2.66Å
421	K	98.4	Very high	97.8	Very high	153 Å²	153	60 Å²	60	67%	0.665	32%	0.323	S	S	*	.	H	α-helix	trans	-58.5	-44.5	175.5	-74.5	172.2	-177.1	174.7	0	112.6	D417 Q418 Y419 D424 A425	D417-K421 VanDerWaalsContact O-CG 3.31Å; D417-K421 WeakPolarHBondContact O-CG 3.45Å; D417-K421 PolarHBondContact O-N 3.27Å; Q418-K421 PolarHBondContact O-N 3.15Å; Y419-K421 VanDerWaalsContact C-N 3.33Å; Y419-K421 PolarHBondContact O-N 2.93Å; K421-D424 PolarHBondContact O-N 3.3Å; K421-A425 PolarHBondContact O-N 3.4Å; K421-A425 VanDerWaalsContact O-N 3.09Å
422	A	98.5	Very high	97.8	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-42	177.7	0	0	0	0	0	112	A400 L404 Q418 Y419 N420 D424 A425 V426 L442	A400-A422 HydrophobicContact CB-CB 3.84Å; L404-A422 HydrophobicContact CD1-CB 3.71Å; L404-A422 HydrophobicContact CG-CB 4.38Å; Q418-A422 PolarHBondContact O-N 3.06Å; Q418-A422 VanDerWaalsContact O-N 3.09Å; Y419-A422 PolarHBondContact O-N 2.94Å; N420-A422 PolarHBondContact O-N 3.4Å; A422-D424 VanDerWaalsContact C-N 3.32Å; A422-D424 PolarHBondContact O-N 2.68Å; A422-A425 PolarHBondContact O-N 3.38Å; A422-V426 WeakPolarHBondContact O-CG2 3.24Å; A422-V426 PolarHBondContact O-N 3.09Å; A422-L442 HydrophobicContact CB-CD2 3.76Å
423	N	98.5	Very high	98	Very high	26 Å²	26	61.7 Å²	61.7	14%	0.139	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-39.6	175.2	171.1	77.4	0	0	0	112.1	Y419 N420 V426 K427 L442	Y419-N423 HydrophobicContact CE1-CB 4.43Å; Y419-N423 WeakPolarHBondContact O-CB 3.24Å; Y419-N423 PolarHBondContact O-N 3.31Å; N420-N423 PolarHBondContact O-N 2.94Å; N423-V426 PolarHBondContact O-N 3.19Å; N423-K427 WeakPolarHBondContact ND2-CD 3.45Å; N423-K427 WeakPolarHBondContact ND2-CE 3.43Å; N423-K427 PolarHBondContact ND2-NZ 2.74Å; N423-K427 WeakPolarHBondContact O-CG 3.38Å; N423-K427 PolarHBondContact O-N 3.25Å; N423-L442 HydrophobicContact CB-CD1 4.08Å
424	D	98.6	Very high	98.1	Very high	96 Å²	96	59 Å²	59	51%	0.513	30%	0.304	S	S	.	.	H	α-helix	trans	-68.9	-38.2	177.7	-68.9	-14.9	0	0	0	111.5	N420 K421 A422 K427 A428	N420-D424 WeakPolarHBondContact O-CB 3.49Å; N420-D424 PolarHBondContact O-N 2.66Å; K421-D424 PolarHBondContact O-N 3.3Å; A422-D424 VanDerWaalsContact C-N 3.32Å; A422-D424 PolarHBondContact O-N 2.68Å; D424-K427 PolarHBondContact O-N 3.39Å; D424-A428 WeakPolarHBondContact O-CB 3.31Å; D424-A428 PolarHBondContact O-N 3.4Å
425	A	98.5	Very high	98.2	Very high	24 Å²	24	58.5 Å²	58.5	20%	0.198	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-43.1	172.7	0	0	0	0	0	111.9	A397 A400 K421 A422 A428	A397-A425 HydrophobicContact CB-CB 4.25Å; A400-A425 HydrophobicContact CB-CB 4.17Å; K421-A425 PolarHBondContact O-N 3.4Å; K421-A425 VanDerWaalsContact O-N 3.09Å; A422-A425 PolarHBondContact O-N 3.38Å; A425-A428 WeakPolarHBondContact O-CB 3.44Å; A425-A428 PolarHBondContact O-N 3.34Å
426	V	98.7	Very high	98.2	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-41.8	174.8	167.9	0	0	0	0	112	A397 A422 N423 A428 V429 Q432 V435 Q438 K439 L442	A397-V426 HydrophobicContact CB-CG2 3.97Å; A422-V426 WeakPolarHBondContact O-CG2 3.24Å; A422-V426 PolarHBondContact O-N 3.09Å; N423-V426 PolarHBondContact O-N 3.19Å; V426-A428 VanDerWaalsContact C-N 3.26Å; V426-A428 PolarHBondContact O-N 2.96Å; V426-V429 PolarHBondContact O-N 2.89Å; V426-Q432 PolarHBondContact O-NE2 3.47Å; V426-V435 HydrophobicContact CG1-CB 4.08Å; V426-V435 HydrophobicContact CG1-CG2 3.89Å; V426-Q438 HydrophobicContact CG2-CB 3.74Å; V426-K439 HydrophobicContact CG1-CG 3.74Å; V426-L442 HydrophobicContact CB-CD1 4.13Å; V426-L442 HydrophobicContact CG2-CD1 3.69Å
427	K	98.3	Very high	98.2	Very high	134 Å²	134	60.2 Å²	60.2	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-65.8	-27.2	175.5	-74.7	173.3	178.8	169	0	113	N423 D424 V429 Q432	N423-K427 WeakPolarHBondContact ND2-CD 3.45Å; N423-K427 WeakPolarHBondContact ND2-CE 3.43Å; N423-K427 PolarHBondContact ND2-NZ 2.74Å; N423-K427 WeakPolarHBondContact O-CG 3.38Å; N423-K427 PolarHBondContact O-N 3.25Å; D424-K427 PolarHBondContact O-N 3.39Å; K427-V429 VanDerWaalsContact C-N 3.28Å; K427-V429 PolarHBondContact O-N 2.72Å; K427-Q432 PolarHBondContact O-NE2 3.3Å
428	A	97.9	Very high	98.2	Very high	55 Å²	55	55.7 Å²	55.7	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.3	179.3	0	0	0	0	0	114	D424 A425 V426 A430	D424-A428 WeakPolarHBondContact O-CB 3.31Å; D424-A428 PolarHBondContact O-N 3.4Å; A425-A428 WeakPolarHBondContact O-CB 3.44Å; A425-A428 PolarHBondContact O-N 3.34Å; V426-A428 VanDerWaalsContact C-N 3.26Å; V426-A428 PolarHBondContact O-N 2.96Å; A428-A430 PolarHBondContact O-N 3.27Å
429	V	98.5	Very high	98.2	Very high	5 Å²	5	55 Å²	55	3%	0.03	29%	0.286	C	S	.	.			trans	-73.3	125.1	177.4	-176.6	0	0	0	0	110.2	K393 F394 A397 V426 K427 Q432 V435	K393-V429 HydrophobicContact CB-CG2 4.46Å; F394-V429 HydrophobicContact CB-CG1 4.31Å; F394-V429 HydrophobicContact CB-CG2 4.49Å; A397-V429 HydrophobicContact CB-CG2 3.66Å; V426-V429 PolarHBondContact O-N 2.89Å; K427-V429 VanDerWaalsContact C-N 3.28Å; K427-V429 PolarHBondContact O-N 2.72Å; V429-Q432 PolarHBondContact O-NE2 3.34Å; V429-V435 HydrophobicContact CB-CG1 3.88Å; V429-V435 HydrophobicContact CB-CG2 4.4Å; V429-V435 HydrophobicContact CG1-CG1 3.96Å; V429-V435 HydrophobicContact CG2-CG1 3.62Å
430	A	97.8	Very high	98.1	Very high	52 Å²	52	57.4 Å²	57.4	43%	0.43	30%	0.301	S	S	.	.	S	Bend	trans	-64.4	-51.5	-175.3	0	0	0	0	0	112.3	L358 Q390 A428 Q432	L358-A430 HydrophobicContact CD2-CB 3.94Å; Q390-A430 HydrophobicContact CG-CB 4.15Å; A428-A430 PolarHBondContact O-N 3.27Å; A430-Q432 PolarHBondContact O-N 2.85Å
431	N	98.1	Very high	98	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.053	30%	0.295	C	S	.	.	S	Bend	trans	-84.2	95.7	173.6	-170.4	-7.5	0	0	0	110.5	L358 L359 E433 L434	L358-N431 HydrophobicContact CB-CB 4.28Å; L359-N431 PolarHBondContact O-ND2 3.33Å; N431-E433 PolarHBondContact O-N 3.32Å; N431-E433 WeakPolarHBondContact OD1-CB 3.47Å; N431-E433 PolarHBondContact OD1-N 3.1Å; N431-E433 VanDerWaalsContact OD1-N 3.17Å; N431-L434 HydrophobicContact CB-CD1 4.01Å; N431-L434 HydrophobicContact CB-CG 4.04Å; N431-L434 WeakPolarHBondContact O-CB 3.45Å; N431-L434 PolarHBondContact O-N 2.97Å; N431-L434 VanDerWaalsContact O-N 3.13Å
432	Q	97.9	Very high	98	Very high	63 Å²	63	49.4 Å²	49.4	29%	0.294	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.9	-177.3	-76.5	-66.9	-54	0	0	114.5	V426 K427 V429 A430 V435 K439	V426-Q432 PolarHBondContact O-NE2 3.47Å; K427-Q432 PolarHBondContact O-NE2 3.3Å; V429-Q432 PolarHBondContact O-NE2 3.34Å; A430-Q432 PolarHBondContact O-N 2.85Å; Q432-V435 WeakPolarHBondContact O-CG2 3.22Å; Q432-K439 PolarHBondContact O-NZ 3.36Å
433	E	97.7	Very high	98	Very high	159 Å²	159	53.7 Å²	53.7	74%	0.743	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-31.6	173.2	-61.9	-177.9	168.2	0	0	111.7	N431 V435 Q436	N431-E433 PolarHBondContact O-N 3.32Å; N431-E433 WeakPolarHBondContact OD1-CB 3.47Å; N431-E433 PolarHBondContact OD1-N 3.1Å; N431-E433 VanDerWaalsContact OD1-N 3.17Å; E433-V435 PolarHBondContact O-N 2.73Å; E433-Q436 PolarHBondContact O-N 2.98Å
434	L	98	Very high	97.9	Very high	36 Å²	36	58.7 Å²	58.7	19%	0.188	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.3	-179	-64.6	-178.5	0	0	0	112.8	L359 A362 F394 N431	L359-L434 HydrophobicContact CB-CD1 4.29Å; L359-L434 HydrophobicContact CD2-CD1 4.26Å; L359-L434 HydrophobicContact CG-CD1 4.49Å; A362-L434 HydrophobicContact CB-CD2 4.29Å; F394-L434 HydrophobicContact CD2-CB 4.06Å; F394-L434 HydrophobicContact CE2-CB 4.33Å; F394-L434 VanDerWaalsContact CE2-O 3.26Å; F394-L434 WeakPolarHBondContact CE2-O 3.18Å; N431-L434 HydrophobicContact CB-CD1 4.01Å; N431-L434 HydrophobicContact CB-CG 4.04Å; N431-L434 WeakPolarHBondContact O-CB 3.45Å; N431-L434 PolarHBondContact O-N 2.97Å; N431-L434 VanDerWaalsContact O-N 3.13Å
435	V	98.1	Very high	97.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	18.6	-177.6	-68.8	0	0	0	0	113.7	F394 A397 V426 V429 Q432 E433 T437 Q438 K439	F394-V435 HydrophobicContact CD2-CG1 3.79Å; F394-V435 HydrophobicContact CE2-CG1 4.18Å; A397-V435 HydrophobicContact CB-CG1 4.29Å; V426-V435 HydrophobicContact CG1-CB 4.08Å; V426-V435 HydrophobicContact CG1-CG2 3.89Å; V429-V435 HydrophobicContact CB-CG1 3.88Å; V429-V435 HydrophobicContact CB-CG2 4.4Å; V429-V435 HydrophobicContact CG1-CG1 3.96Å; V429-V435 HydrophobicContact CG2-CG1 3.62Å; Q432-V435 WeakPolarHBondContact O-CG2 3.22Å; E433-V435 PolarHBondContact O-N 2.73Å; V435-T437 VanDerWaalsContact C-N 3.32Å; V435-T437 PolarHBondContact O-N 2.98Å; V435-Q438 HydrophobicContact CB-CB 4.47Å; V435-Q438 PolarHBondContact O-N 3.47Å; V435-K439 PolarHBondContact O-N 3.27Å
436	Q	97.7	Very high	97.8	Very high	91 Å²	91	54.2 Å²	54.2	43%	0.425	28%	0.284	S	S	.	.	H	α-helix	trans	-58.9	-43.5	-177.4	-173.8	56.7	38.9	0	0	112.1	E433 Q438 K439 D440	E433-Q436 PolarHBondContact O-N 2.98Å; Q436-Q438 VanDerWaalsContact C-N 3.34Å; Q436-Q438 PolarHBondContact O-N 3.46Å; Q436-K439 WeakPolarHBondContact O-CB 3.26Å; Q436-K439 PolarHBondContact O-N 2.8Å; Q436-D440 PolarHBondContact NE2-OD1 2.82Å; Q436-D440 VanDerWaalsContact O-CG 3.32Å; Q436-D440 PolarHBondContact O-N 2.87Å; Q436-D440 VanDerWaalsContact O-N 3.11Å
437	T	97.1	Very high	97.8	Very high	84 Å²	84	58.8 Å²	58.8	52%	0.515	31%	0.305	S	S	.	.	H	α-helix	trans	-57.3	-45.7	175.5	-56.4	0	0	0	0	112	V435 K439 D440 E441	V435-T437 VanDerWaalsContact C-N 3.32Å; V435-T437 PolarHBondContact O-N 2.98Å; T437-K439 VanDerWaalsContact C-N 3.32Å; T437-K439 PolarHBondContact O-N 3.46Å; T437-D440 PolarHBondContact O-N 3.33Å; T437-E441 WeakPolarHBondContact O-CB 3.29Å; T437-E441 WeakPolarHBondContact O-CG 3.3Å; T437-E441 PolarHBondContact O-N 3.2Å
438	Q	97.9	Very high	97.7	Very high	11 Å²	11	54.6 Å²	54.6	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-33.7	179.4	-72.8	67.3	44	0	0	112.2	A401 V426 V435 Q436 L442	A401-Q438 HydrophobicContact CB-CB 3.96Å; A401-Q438 HydrophobicContact CB-CG 3.69Å; V426-Q438 HydrophobicContact CG2-CB 3.74Å; V435-Q438 HydrophobicContact CB-CB 4.47Å; V435-Q438 PolarHBondContact O-N 3.47Å; Q436-Q438 VanDerWaalsContact C-N 3.34Å; Q436-Q438 PolarHBondContact O-N 3.46Å; Q438-L442 WeakPolarHBondContact O-CB 3.37Å; Q438-L442 VanDerWaalsContact O-CG 3.22Å; Q438-L442 WeakPolarHBondContact O-CG 3.47Å; Q438-L442 PolarHBondContact O-N 2.97Å
439	K	98.1	Very high	97.7	Very high	59 Å²	59	52.2 Å²	52.2	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-43.2	174	-72.3	172.8	175.6	165.4	0	112	V426 Q432 V435 Q436 T437 E441 L442 T443	V426-K439 HydrophobicContact CG1-CG 3.74Å; Q432-K439 PolarHBondContact O-NZ 3.36Å; V435-K439 PolarHBondContact O-N 3.27Å; Q436-K439 WeakPolarHBondContact O-CB 3.26Å; Q436-K439 PolarHBondContact O-N 2.8Å; T437-K439 VanDerWaalsContact C-N 3.32Å; T437-K439 PolarHBondContact O-N 3.46Å; K439-E441 VanDerWaalsContact C-N 3.35Å; K439-L442 PolarHBondContact O-N 3.19Å; K439-T443 PolarHBondContact O-N 2.77Å; K439-T443 PolarHBondContact O-OG1 2.94Å
440	D	97.1	Very high	97.6	Very high	82 Å²	82	56.7 Å²	56.7	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-66.5	-41.3	179.6	-60.9	-20.7	0	0	0	110.7	Q436 T437 T443 K444	Q436-D440 PolarHBondContact NE2-OD1 2.82Å; Q436-D440 VanDerWaalsContact O-CG 3.32Å; Q436-D440 PolarHBondContact O-N 2.87Å; Q436-D440 VanDerWaalsContact O-N 3.11Å; T437-D440 PolarHBondContact O-N 3.33Å; D440-T443 WeakPolarHBondContact O-CB 3.29Å; D440-T443 PolarHBondContact O-N 3.43Å; D440-K444 PolarHBondContact O-N 3.29Å
441	E	97.1	Very high	97.6	Very high	43 Å²	43	58.5 Å²	58.5	20%	0.201	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-49.7	172.4	-80.4	170.8	173.7	0	0	112.5	L405 T437 K439 T443 K444 V445	L405-E441 HydrophobicContact CD1-CB 3.77Å; L405-E441 HydrophobicContact CD1-CG 3.66Å; T437-E441 WeakPolarHBondContact O-CB 3.29Å; T437-E441 WeakPolarHBondContact O-CG 3.3Å; T437-E441 PolarHBondContact O-N 3.2Å; K439-E441 VanDerWaalsContact C-N 3.35Å; E441-T443 VanDerWaalsContact C-N 3.25Å; E441-T443 PolarHBondContact O-N 2.81Å; E441-K444 WeakPolarHBondContact O-CB 3.36Å; E441-K444 PolarHBondContact O-N 3.13Å; E441-V445 WeakPolarHBondContact O-CG2 3.24Å; E441-V445 PolarHBondContact O-N 3.3Å
442	L	98.1	Very high	97.5	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-31.9	177.7	-74.8	177.5	0	0	0	112.4	L404 Y419 A422 N423 V426 Q438 K439 K444 V445 D446	L404-L442 HydrophobicContact CD1-CD2 3.81Å; Y419-L442 HydrophobicContact CD2-CD2 3.98Å; Y419-L442 HydrophobicContact CE2-CB 4Å; Y419-L442 HydrophobicContact CE2-CD2 4.17Å; Y419-L442 VanDerWaalsContact CE2-O 3.32Å; Y419-L442 WeakPolarHBondContact CE2-O 3.4Å; A422-L442 HydrophobicContact CB-CD2 3.76Å; N423-L442 HydrophobicContact CB-CD1 4.08Å; V426-L442 HydrophobicContact CB-CD1 4.13Å; V426-L442 HydrophobicContact CG2-CD1 3.69Å; Q438-L442 WeakPolarHBondContact O-CB 3.37Å; Q438-L442 VanDerWaalsContact O-CG 3.22Å; Q438-L442 WeakPolarHBondContact O-CG 3.47Å; Q438-L442 PolarHBondContact O-N 2.97Å; K439-L442 PolarHBondContact O-N 3.19Å; L442-K444 VanDerWaalsContact C-N 3.31Å; L442-K444 PolarHBondContact O-N 3.15Å; L442-V445 PolarHBondContact O-N 3.32Å; L442-D446 WeakPolarHBondContact O-CB 3.29Å; L442-D446 PolarHBondContact O-N 2.86Å
443	T	97.6	Very high	97.4	Very high	91 Å²	91	62 Å²	62	56%	0.558	31%	0.307	S	S	*	.	H	α-helix	trans	-61.7	-40.4	173	-57.9	0	0	0	0	111.5	K439 D440 E441 D446 Q447	K439-T443 PolarHBondContact O-N 2.77Å; K439-T443 PolarHBondContact O-OG1 2.94Å; D440-T443 WeakPolarHBondContact O-CB 3.29Å; D440-T443 PolarHBondContact O-N 3.43Å; E441-T443 VanDerWaalsContact C-N 3.25Å; E441-T443 PolarHBondContact O-N 2.81Å; T443-D446 PolarHBondContact O-N 2.74Å; T443-Q447 PolarHBondContact O-N 3.32Å; T443-Q447 VanDerWaalsContact O-N 3.08Å
444	K	96.3	Very high	97.4	Very high	132 Å²	132	60.5 Å²	60.5	57%	0.574	30%	0.298	S	S	*	.	H	α-helix	trans	-66.6	-39.5	174.2	-63.5	174.8	-176.8	173.4	0	112.1	D440 E441 L442 T448	D440-K444 PolarHBondContact O-N 3.29Å; E441-K444 WeakPolarHBondContact O-CB 3.36Å; E441-K444 PolarHBondContact O-N 3.13Å; L442-K444 VanDerWaalsContact C-N 3.31Å; L442-K444 PolarHBondContact O-N 3.15Å; K444-T448 WeakPolarHBondContact O-CB 3.39Å; K444-T448 PolarHBondContact O-N 3.11Å; K444-T448 PolarHBondContact O-OG1 2.92Å
445	V	98.2	Very high	97.3	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-47.9	175.5	177.7	0	0	0	0	110.8	L404 L405 V410 V414 Y419 E441 L442 Q447 T448 L449	L404-V445 HydrophobicContact CB-CG1 4.46Å; L404-V445 HydrophobicContact CB-CG2 4.1Å; L404-V445 HydrophobicContact CD1-CG1 4.01Å; L404-V445 HydrophobicContact CD1-CG2 4.47Å; L405-V445 HydrophobicContact CD2-CG2 4.05Å; L405-V445 HydrophobicContact CG-CG2 4.44Å; V410-V445 HydrophobicContact CG1-CG1 4.2Å; V410-V445 HydrophobicContact CG1-CG2 4.34Å; V410-V445 HydrophobicContact CG2-CB 4.38Å; V410-V445 HydrophobicContact CG2-CG2 3.94Å; V414-V445 HydrophobicContact CG1-CG1 3.95Å; Y419-V445 HydrophobicContact CD2-CB 4.21Å; Y419-V445 HydrophobicContact CD2-CG1 3.9Å; E441-V445 WeakPolarHBondContact O-CG2 3.24Å; E441-V445 PolarHBondContact O-N 3.3Å; L442-V445 PolarHBondContact O-N 3.32Å; V445-Q447 VanDerWaalsContact C-N 3.34Å; V445-Q447 PolarHBondContact O-N 3.48Å; V445-T448 PolarHBondContact O-N 3.3Å; V445-L449 HydrophobicContact CG1-CD1 4.01Å; V445-L449 HydrophobicContact CG1-CG 4.35Å; V445-L449 WeakPolarHBondContact O-CB 3.1Å; V445-L449 WeakPolarHBondContact O-CG 3.24Å; V445-L449 PolarHBondContact O-N 3.24Å
446	D	98.2	Very high	97.1	Very high	24 Å²	24	67.3 Å²	67.3	13%	0.128	34%	0.336	C	S	.	.	H	α-helix	trans	-58.3	-45.6	178.2	-178.8	50.4	0	0	0	111.8	R416 Y419 L442 T443 L449 K450	R416-D446 IonicContact CZ-OD1 2.68Å; R416-D446 IonicContact NH1-OD1 2.92Å; R416-D446 PolarHBondContact NH1-OD1 2.74Å; R416-D446 IonicContact NH2-OD1 2.9Å; Y419-D446 HydrophobicContact CD2-CB 4.4Å; Y419-D446 HydrophobicContact CE2-CB 3.7Å; L442-D446 WeakPolarHBondContact O-CB 3.29Å; L442-D446 PolarHBondContact O-N 2.86Å; T443-D446 PolarHBondContact O-N 2.74Å; D446-L449 PolarHBondContact O-N 3.46Å; D446-K450 WeakPolarHBondContact O-CG 3.28Å; D446-K450 PolarHBondContact O-N 2.89Å; D446-K450 IonicContact OD1-NZ 3.89Å; D446-K450 WeakPolarHBondContact OD2-CE 3.39Å; D446-K450 IonicContact OD2-NZ 3.25Å; D446-K450 PolarHBondContact OD2-NZ 3.26Å
447	Q	97.4	Very high	97	Very high	99 Å²	99	65.8 Å²	65.8	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-46.7	177.4	-175.5	56.6	41	0	0	111.5	T443 V445 L449 K450 D451	T443-Q447 PolarHBondContact O-N 3.32Å; T443-Q447 VanDerWaalsContact O-N 3.08Å; V445-Q447 VanDerWaalsContact C-N 3.34Å; V445-Q447 PolarHBondContact O-N 3.48Å; Q447-L449 VanDerWaalsContact C-N 3.31Å; Q447-L449 PolarHBondContact O-N 3.32Å; Q447-K450 PolarHBondContact O-N 2.96Å; Q447-D451 PolarHBondContact NE2-OD1 3.43Å; Q447-D451 PolarHBondContact NE2-OD2 3.08Å; Q447-D451 PolarHBondContact O-N 3.45Å
448	T	97.2	Very high	97	Very high	46 Å²	46	67.1 Å²	67.1	28%	0.282	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-39	178.6	-55.9	0	0	0	0	111.9	V410 K444 V445 D451 K452	V410-T448 HydrophobicContact CB-CG2 3.99Å; V410-T448 HydrophobicContact CG1-CG2 4.08Å; V410-T448 HydrophobicContact CG2-CG2 4.24Å; V410-T448 WeakPolarHBondContact CG2-OG1 3.32Å; K444-T448 WeakPolarHBondContact O-CB 3.39Å; K444-T448 PolarHBondContact O-N 3.11Å; K444-T448 PolarHBondContact O-OG1 2.92Å; V445-T448 PolarHBondContact O-N 3.3Å; T448-D451 PolarHBondContact O-N 2.93Å; T448-K452 HydrophobicContact CG2-CD 4.39Å; T448-K452 WeakPolarHBondContact O-CB 3.48Å; T448-K452 WeakPolarHBondContact O-CG 3.23Å; T448-K452 PolarHBondContact O-N 3.46Å
449	L	97.7	Very high	96.9	Very high	5 Å²	5	72 Å²	72	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-65.9	-44.6	175.9	-76.5	176.7	0	0	0	111.9	V414 Y419 V445 D446 Q447 D451 K452 E453	V414-L449 HydrophobicContact CG1-CD1 4.22Å; V414-L449 HydrophobicContact CG1-CD2 4.18Å; V414-L449 HydrophobicContact CG1-CG 4.43Å; V414-L449 VanDerWaalsContact O-CD2 3.29Å; V414-L449 WeakPolarHBondContact O-CD2 3.42Å; Y419-L449 HydrophobicContact CG-CD1 4.07Å; V445-L449 HydrophobicContact CG1-CD1 4.01Å; V445-L449 HydrophobicContact CG1-CG 4.35Å; V445-L449 WeakPolarHBondContact O-CB 3.1Å; V445-L449 WeakPolarHBondContact O-CG 3.24Å; V445-L449 PolarHBondContact O-N 3.24Å; D446-L449 PolarHBondContact O-N 3.46Å; Q447-L449 VanDerWaalsContact C-N 3.31Å; Q447-L449 PolarHBondContact O-N 3.32Å; L449-D451 VanDerWaalsContact C-N 3.28Å; L449-D451 PolarHBondContact O-N 3.28Å; L449-K452 PolarHBondContact O-N 3.44Å; L449-E453 VanDerWaalsContact O-CB 3.31Å; L449-E453 WeakPolarHBondContact O-CB 3.49Å; L449-E453 WeakPolarHBondContact O-CG 3.35Å; L449-E453 PolarHBondContact O-N 3.4Å
450	K	97.7	Very high	96.7	Very high	99 Å²	99	76.5 Å²	76.5	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-57	-42.8	175.5	-76.7	169.6	173.6	163.3	0	111.7	D446 Q447 K454	D446-K450 WeakPolarHBondContact O-CG 3.28Å; D446-K450 PolarHBondContact O-N 2.89Å; D446-K450 IonicContact OD1-NZ 3.89Å; D446-K450 WeakPolarHBondContact OD2-CE 3.39Å; D446-K450 IonicContact OD2-NZ 3.25Å; D446-K450 PolarHBondContact OD2-NZ 3.26Å; Q447-K450 PolarHBondContact O-N 2.96Å; K450-K454 VanDerWaalsContact O-CB 3.28Å; K450-K454 WeakPolarHBondContact O-CB 3.35Å; K450-K454 PolarHBondContact O-N 3.15Å
451	D	96.6	Very high	96.7	Very high	89 Å²	89	75.4 Å²	75.4	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-67.5	-41.3	178.7	-66.2	-28.1	0	0	0	111.7	Q447 T448 L449 K455	Q447-D451 PolarHBondContact NE2-OD1 3.43Å; Q447-D451 PolarHBondContact NE2-OD2 3.08Å; Q447-D451 PolarHBondContact O-N 3.45Å; T448-D451 PolarHBondContact O-N 2.93Å; L449-D451 VanDerWaalsContact C-N 3.28Å; L449-D451 PolarHBondContact O-N 3.28Å; D451-K455 WeakPolarHBondContact O-CB 3.49Å; D451-K455 PolarHBondContact O-N 3.37Å
452	K	95.5	Very high	96.6	Very high	67 Å²	67	76.2 Å²	76.2	29%	0.291	40%	0.398	S	S	.	.	H	α-helix	trans	-64.2	-45.9	174.7	-77.6	-178.4	174.1	-176.2	0	112.7	D412 T448 L449 K455 A456	D412-K452 VanDerWaalsContact CA-NZ 3.26Å; D412-K452 PolarHBondContact O-NZ 3.47Å; D412-K452 IonicContact OD1-NZ 3.71Å; D412-K452 PolarHBondContact OD1-NZ 3.25Å; T448-K452 HydrophobicContact CG2-CD 4.39Å; T448-K452 WeakPolarHBondContact O-CB 3.48Å; T448-K452 WeakPolarHBondContact O-CG 3.23Å; T448-K452 PolarHBondContact O-N 3.46Å; L449-K452 PolarHBondContact O-N 3.44Å; K452-K455 PolarHBondContact O-N 3.34Å; K452-A456 WeakPolarHBondContact O-CB 3.38Å; K452-A456 PolarHBondContact O-N 2.73Å
453	E	96.4	Very high	96.4	Very high	79 Å²	79	79 Å²	79	37%	0.369	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-43.6	179.2	-72.2	163.4	173.4	0	0	111	R416 L449 A456 A457	R416-E453 IonicContact CZ-OE1 3.03Å; R416-E453 IonicContact CZ-OE2 3.6Å; R416-E453 IonicContact NE-OE1 2.67Å; R416-E453 PolarHBondContact NE-OE1 2.88Å; R416-E453 IonicContact NE-OE2 2.73Å; R416-E453 IonicContact NH2-OE1 2.69Å; R416-E453 PolarHBondContact NH2-OE1 3.45Å; R416-E453 IonicContact NH2-OE2 2.65Å; R416-E453 PolarHBondContact NH2-OE2 2.98Å; L449-E453 VanDerWaalsContact O-CB 3.31Å; L449-E453 WeakPolarHBondContact O-CB 3.49Å; L449-E453 WeakPolarHBondContact O-CG 3.35Å; L449-E453 PolarHBondContact O-N 3.4Å; E453-A456 PolarHBondContact O-N 2.91Å; E453-A457 WeakPolarHBondContact O-CB 3.36Å; E453-A457 PolarHBondContact O-N 2.93Å
454	K	97.1	Very high	96.3	Very high	129 Å²	129	78.3 Å²	78.3	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-60.5	-48.6	174.6	-179.8	179.5	172.8	-176.3	0	111.7	K450 A456 A457 E458	K450-K454 VanDerWaalsContact O-CB 3.28Å; K450-K454 WeakPolarHBondContact O-CB 3.35Å; K450-K454 PolarHBondContact O-N 3.15Å; K454-A456 PolarHBondContact O-N 2.82Å; K454-A457 PolarHBondContact O-N 3.36Å; K454-E458 WeakPolarHBondContact CE-OE1 3.45Å; K454-E458 WeakPolarHBondContact O-CG 3.33Å; K454-E458 PolarHBondContact O-N 3.27Å
455	K	95.9	Very high	96.2	Very high	125 Å²	125	78 Å²	78	54%	0.543	41%	0.411	S	S	.	.	H	α-helix	trans	-60.1	-44.2	178.2	-174.2	-178.7	176.5	-171.4	0	111.8	D451 K452 A457 E458 E459	D451-K455 WeakPolarHBondContact O-CB 3.49Å; D451-K455 PolarHBondContact O-N 3.37Å; K452-K455 PolarHBondContact O-N 3.34Å; K455-A457 VanDerWaalsContact C-N 3.35Å; K455-A457 PolarHBondContact O-N 3.08Å; K455-E458 PolarHBondContact O-N 2.82Å; K455-E459 WeakPolarHBondContact CE-OE1 3.39Å; K455-E459 IonicContact NZ-OE1 2.99Å; K455-E459 WeakPolarHBondContact O-CB 3.43Å; K455-E459 WeakPolarHBondContact O-CG 3.47Å; K455-E459 PolarHBondContact O-N 2.87Å
456	A	94.4	Very high	96	Very high	53 Å²	53	80.6 Å²	80.6	44%	0.438	43%	0.433	S	S	.	.	H	α-helix	trans	-64.7	-37.7	177.7	0	0	0	0	0	112.5	K452 E453 K454 K460	K452-A456 WeakPolarHBondContact O-CB 3.38Å; K452-A456 PolarHBondContact O-N 2.73Å; E453-A456 PolarHBondContact O-N 2.91Å; K454-A456 PolarHBondContact O-N 2.82Å; A456-K460 VanDerWaalsContact O-CB 3.31Å; A456-K460 WeakPolarHBondContact O-CB 3.43Å; A456-K460 PolarHBondContact O-N 3.17Å
457	A	95.6	Very high	95.8	Very high	60 Å²	60	82.4 Å²	82.4	50%	0.496	45%	0.45	S	S	.	.	H	α-helix	trans	-65.6	-42.5	175.1	0	0	0	0	0	112	E453 K454 K455 K460 A461	E453-A457 WeakPolarHBondContact O-CB 3.36Å; E453-A457 PolarHBondContact O-N 2.93Å; K454-A457 PolarHBondContact O-N 3.36Å; K455-A457 VanDerWaalsContact C-N 3.35Å; K455-A457 PolarHBondContact O-N 3.08Å; A457-K460 PolarHBondContact O-N 3.4Å; A457-A461 WeakPolarHBondContact O-CB 3.42Å; A457-A461 PolarHBondContact O-N 3.27Å
458	E	96.7	Very high	95.5	Very high	111 Å²	111	81.3 Å²	81.3	52%	0.519	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-44	175.5	-71.5	172.6	-179.1	0	0	112	K454 K455 A461 A462	K454-E458 WeakPolarHBondContact CE-OE1 3.45Å; K454-E458 WeakPolarHBondContact O-CG 3.33Å; K454-E458 PolarHBondContact O-N 3.27Å; K455-E458 PolarHBondContact O-N 2.82Å; E458-A461 PolarHBondContact O-N 3.07Å; E458-A462 WeakPolarHBondContact O-CB 3.45Å; E458-A462 PolarHBondContact O-N 3.36Å
459	E	95.7	Very high	95.3	Very high	114 Å²	114	83.5 Å²	83.5	53%	0.533	45%	0.452	S	S	.	.	H	α-helix	trans	-63.4	-41.7	175.6	-75	176.6	179.2	0	0	112.1	K455 A462 A463	K455-E459 WeakPolarHBondContact CE-OE1 3.39Å; K455-E459 IonicContact NZ-OE1 2.99Å; K455-E459 WeakPolarHBondContact O-CB 3.43Å; K455-E459 WeakPolarHBondContact O-CG 3.47Å; K455-E459 PolarHBondContact O-N 2.87Å; E459-A462 PolarHBondContact O-N 3.22Å; E459-A463 WeakPolarHBondContact O-CB 3.4Å; E459-A463 PolarHBondContact O-N 3.03Å
460	K	95.7	Very high	95	Very high	154 Å²	154	89.4 Å²	89.4	67%	0.67	48%	0.478	S	S	*	.	H	α-helix	trans	-62.5	-45.4	174.6	-176.1	-177.8	176.2	-173.1	0	111.5	A456 A457 A462 A463 E464	A456-K460 VanDerWaalsContact O-CB 3.31Å; A456-K460 WeakPolarHBondContact O-CB 3.43Å; A456-K460 PolarHBondContact O-N 3.17Å; A457-K460 PolarHBondContact O-N 3.4Å; K460-A462 VanDerWaalsContact C-N 3.34Å; K460-A462 PolarHBondContact O-N 3.45Å; K460-A463 PolarHBondContact O-N 3.39Å; K460-E464 WeakPolarHBondContact O-CB 3.19Å; K460-E464 PolarHBondContact O-N 3.18Å
461	A	95.6	Very high	94.6	Very high	58 Å²	58	87.3 Å²	87.3	48%	0.479	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-39.8	177.3	0	0	0	0	0	112	A457 E458 K465	A457-A461 WeakPolarHBondContact O-CB 3.42Å; A457-A461 PolarHBondContact O-N 3.27Å; E458-A461 PolarHBondContact O-N 3.07Å; A461-K465 WeakPolarHBondContact O-CB 3.49Å; A461-K465 PolarHBondContact O-N 2.98Å
462	A	95.3	Very high	94.3	Very high	61 Å²	61	89.8 Å²	89.8	50%	0.504	49%	0.488	S	S	.	.	H	α-helix	trans	-66	-41.9	175.1	0	0	0	0	0	112.2	E458 E459 K460 K465 A466	E458-A462 WeakPolarHBondContact O-CB 3.45Å; E458-A462 PolarHBondContact O-N 3.36Å; E459-A462 PolarHBondContact O-N 3.22Å; K460-A462 VanDerWaalsContact C-N 3.34Å; K460-A462 PolarHBondContact O-N 3.45Å; A462-K465 PolarHBondContact O-N 2.89Å; A462-A466 WeakPolarHBondContact O-CB 3.48Å; A462-A466 PolarHBondContact O-N 2.85Å
463	A	94.7	Very high	93.9	Very high	62 Å²	62	93 Å²	93	51%	0.512	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-40.3	176.4	0	0	0	0	0	112.2	E459 K460 A466 A467	E459-A463 WeakPolarHBondContact O-CB 3.4Å; E459-A463 PolarHBondContact O-N 3.03Å; K460-A463 PolarHBondContact O-N 3.39Å; A463-A466 PolarHBondContact O-N 3.44Å; A463-A467 WeakPolarHBondContact O-CB 3.21Å; A463-A467 PolarHBondContact O-N 3.15Å
464	E	95.1	Very high	93.4	Very high	76 Å²	76	94.6 Å²	94.6	36%	0.355	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-44.8	175.5	-172.6	177.8	163.5	0	0	111.6	I62 K460 A467 Q468	I62-E464 WeakPolarHBondContact CD1-OE1 3.47Å; K460-E464 WeakPolarHBondContact O-CB 3.19Å; K460-E464 PolarHBondContact O-N 3.18Å; E464-A467 PolarHBondContact O-N 3.26Å; E464-Q468 WeakPolarHBondContact O-CG 3.38Å; E464-Q468 PolarHBondContact O-N 2.66Å
465	K	94.7	Very high	93	Very high	127 Å²	127	94.6 Å²	94.6	55%	0.552	51%	0.511	S	S	*	.	H	α-helix	trans	-61.1	-45.1	174.8	-171.4	-175.3	179.3	-158.6	0	111.9	A461 A462 A467 Q468 E469	A461-K465 WeakPolarHBondContact O-CB 3.49Å; A461-K465 PolarHBondContact O-N 2.98Å; A462-K465 PolarHBondContact O-N 2.89Å; K465-A467 VanDerWaalsContact C-N 3.31Å; K465-A467 PolarHBondContact O-N 2.64Å; K465-Q468 PolarHBondContact O-N 2.87Å; K465-E469 WeakPolarHBondContact CE-OE1 3.36Å; K465-E469 IonicContact NZ-OE1 3.69Å; K465-E469 WeakPolarHBondContact O-CG 3.47Å; K465-E469 PolarHBondContact O-N 3.4Å
466	A	93	Very high	92.5	Very high	55 Å²	55	91.2 Å²	91.2	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-36.1	177.3	0	0	0	0	0	112.3	A462 A463 K470	A462-A466 WeakPolarHBondContact O-CB 3.48Å; A462-A466 PolarHBondContact O-N 2.85Å; A463-A466 PolarHBondContact O-N 3.44Å; A466-K470 WeakPolarHBondContact O-CB 3.39Å; A466-K470 PolarHBondContact O-N 3.01Å
467	A	93.3	Very high	91.8	Very high	61 Å²	61	90.8 Å²	90.8	50%	0.504	50%	0.503	S	S	.	.	H	α-helix	trans	-67.6	-40.3	174.7	0	0	0	0	0	112.3	A463 E464 K465 K470 A471	A463-A467 WeakPolarHBondContact O-CB 3.21Å; A463-A467 PolarHBondContact O-N 3.15Å; E464-A467 PolarHBondContact O-N 3.26Å; K465-A467 VanDerWaalsContact C-N 3.31Å; K465-A467 PolarHBondContact O-N 2.64Å; A467-K470 PolarHBondContact O-N 3.36Å; A467-A471 WeakPolarHBondContact O-CB 3.44Å; A467-A471 PolarHBondContact O-N 3.4Å
468	Q	92.6	Very high	91.1	Very high	77 Å²	77	93.8 Å²	93.8	36%	0.36	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-47.4	174.6	-72	175.6	7.6	0	0	111.8	E464 K465 K470 A471 E472	E464-Q468 WeakPolarHBondContact O-CG 3.38Å; E464-Q468 PolarHBondContact O-N 2.66Å; K465-Q468 PolarHBondContact O-N 2.87Å; Q468-K470 VanDerWaalsContact C-N 3.29Å; Q468-K470 PolarHBondContact O-N 2.73Å; Q468-A471 PolarHBondContact O-N 2.91Å; Q468-E472 WeakPolarHBondContact O-CB 2.95Å; Q468-E472 PolarHBondContact O-N 3.17Å
469	E	92.5	Very high	90.3	Very high	91 Å²	91	92.6 Å²	92.6	43%	0.425	50%	0.501	S	S	.	.	H	α-helix	trans	-60.1	-39.3	176.6	-73	175.9	-176.1	0	0	111.6	K465 Q473	K465-E469 WeakPolarHBondContact CE-OE1 3.36Å; K465-E469 IonicContact NZ-OE1 3.69Å; K465-E469 WeakPolarHBondContact O-CG 3.47Å; K465-E469 PolarHBondContact O-N 3.4Å; E469-Q473 WeakPolarHBondContact O-CB 3.29Å; E469-Q473 VanDerWaalsContact O-CG 3.26Å; E469-Q473 WeakPolarHBondContact O-CG 3.47Å; E469-Q473 PolarHBondContact O-N 2.65Å
470	K	90.1	Very high	89.3	Confident	130 Å²	130	89.7 Å²	89.7	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-65.9	-44.3	175	-172.1	-178	177.5	-169.4	0	112	A466 A467 Q468 E472 Q473 E474	A466-K470 WeakPolarHBondContact O-CB 3.39Å; A466-K470 PolarHBondContact O-N 3.01Å; A467-K470 PolarHBondContact O-N 3.36Å; Q468-K470 VanDerWaalsContact C-N 3.29Å; Q468-K470 PolarHBondContact O-N 2.73Å; K470-E472 VanDerWaalsContact C-N 3.34Å; K470-E472 PolarHBondContact O-N 3.38Å; K470-Q473 PolarHBondContact O-N 2.89Å; K470-E474 VanDerWaalsContact CE-OE1 3.23Å; K470-E474 WeakPolarHBondContact CE-OE1 3.17Å; K470-E474 WeakPolarHBondContact O-CG 3.41Å; K470-E474 PolarHBondContact O-N 3.44Å
471	A	91.2	Very high	88	Confident	55 Å²	55	91 Å²	91	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-38.3	177.6	0	0	0	0	0	112.1	A467 Q468 E474 K475	A467-A471 WeakPolarHBondContact O-CB 3.44Å; A467-A471 PolarHBondContact O-N 3.4Å; Q468-A471 PolarHBondContact O-N 2.91Å; A471-E474 PolarHBondContact O-N 3.33Å; A471-K475 WeakPolarHBondContact O-CB 3.47Å; A471-K475 PolarHBondContact O-N 2.9Å
472	E	89.1	Confident	86.7	Confident	140 Å²	140	93.2 Å²	93.2	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-67.6	-41	175.6	-170.1	173.9	-171.4	0	0	111.8	Q468 K470 K475 A476	Q468-E472 WeakPolarHBondContact O-CB 2.95Å; Q468-E472 PolarHBondContact O-N 3.17Å; K470-E472 VanDerWaalsContact C-N 3.34Å; K470-E472 PolarHBondContact O-N 3.38Å; E472-K475 PolarHBondContact O-N 3.34Å; E472-A476 VanDerWaalsContact O-CB 3.3Å; E472-A476 WeakPolarHBondContact O-CB 3.41Å; E472-A476 PolarHBondContact O-N 3.22Å
473	Q	86.6	Confident	85.1	Confident	136 Å²	136	99.1 Å²	99.1	64%	0.636	51%	0.51	S	S	*	.	H	α-helix	trans	-62.9	-41.4	173.1	-74.4	175.9	27.1	0	0	112.3	E469 K470 A476 A477	E469-Q473 WeakPolarHBondContact O-CB 3.29Å; E469-Q473 VanDerWaalsContact O-CG 3.26Å; E469-Q473 WeakPolarHBondContact O-CG 3.47Å; E469-Q473 PolarHBondContact O-N 2.65Å; K470-Q473 PolarHBondContact O-N 2.89Å; Q473-A476 PolarHBondContact O-N 2.92Å; Q473-A477 VanDerWaalsContact O-CB 3.26Å; Q473-A477 WeakPolarHBondContact O-CB 3.36Å; Q473-A477 PolarHBondContact O-N 2.93Å
474	E	85.9	Confident	83.2	Confident	111 Å²	111	101.1 Å²	101.1	52%	0.519	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-42.9	175.9	-75.3	175.5	-176.8	0	0	111.6	K470 A471 A477 Q478	K470-E474 VanDerWaalsContact CE-OE1 3.23Å; K470-E474 WeakPolarHBondContact CE-OE1 3.17Å; K470-E474 WeakPolarHBondContact O-CG 3.41Å; K470-E474 PolarHBondContact O-N 3.44Å; A471-E474 PolarHBondContact O-N 3.33Å; E474-A477 PolarHBondContact O-N 3.1Å; E474-Q478 WeakPolarHBondContact O-CB 3.34Å; E474-Q478 PolarHBondContact O-N 2.85Å
475	K	88.5	Confident	81.1	Confident	129 Å²	129	102.6 Å²	102.6	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-64.6	-45.6	175.1	-172.8	-178.4	175.4	-169.2	0	112.1	A471 E472 A477 Q478 E479	A471-K475 WeakPolarHBondContact O-CB 3.47Å; A471-K475 PolarHBondContact O-N 2.9Å; E472-K475 PolarHBondContact O-N 3.34Å; K475-A477 VanDerWaalsContact C-N 3.33Å; K475-A477 PolarHBondContact O-N 3.16Å; K475-Q478 PolarHBondContact O-N 2.87Å; K475-Q478 VanDerWaalsContact O-N 3.16Å; K475-E479 WeakPolarHBondContact CE-OE1 3.28Å; K475-E479 WeakPolarHBondContact O-CG 3.5Å; K475-E479 PolarHBondContact O-N 2.85Å
476	A	86	Confident	79	Confident	54 Å²	54	100.8 Å²	100.8	45%	0.446	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-38.8	176.6	0	0	0	0	0	111.9	E472 Q473 Q478 E479 A480	E472-A476 VanDerWaalsContact O-CB 3.3Å; E472-A476 WeakPolarHBondContact O-CB 3.41Å; E472-A476 PolarHBondContact O-N 3.22Å; Q473-A476 PolarHBondContact O-N 2.92Å; A476-Q478 VanDerWaalsContact C-N 3.32Å; A476-Q478 PolarHBondContact O-N 3.41Å; A476-E479 PolarHBondContact O-N 3.29Å; A476-A480 VanDerWaalsContact O-CB 3.28Å; A476-A480 WeakPolarHBondContact O-CB 3.21Å; A476-A480 PolarHBondContact O-N 2.96Å
477	A	80.5	Confident	76.8	Confident	44 Å²	44	104.9 Å²	104.9	36%	0.364	55%	0.553	S	S	.	*	H	α-helix	trans	-65.9	-34.4	174.2	0	0	0	0	0	112.3	Q473 E474 K475 R481	Q473-A477 VanDerWaalsContact O-CB 3.26Å; Q473-A477 WeakPolarHBondContact O-CB 3.36Å; Q473-A477 PolarHBondContact O-N 2.93Å; E474-A477 PolarHBondContact O-N 3.1Å; K475-A477 VanDerWaalsContact C-N 3.33Å; K475-A477 PolarHBondContact O-N 3.16Å; A477-R481 WeakPolarHBondContact O-CD 3.22Å; A477-R481 VanDerWaalsContact O-CG 3.23Å; A477-R481 WeakPolarHBondContact O-CG 3.39Å; A477-R481 PolarHBondContact O-N 3.48Å
478	Q	80.1	Confident	74.4	Confident	124 Å²	124	106.7 Å²	106.7	58%	0.579	56%	0.558	S	S	*	*	H	α-helix	trans	-71.3	-46.6	174.4	-168.3	171.7	-3	0	0	111.8	E474 K475 A476 A480 R481 D482	E474-Q478 WeakPolarHBondContact O-CB 3.34Å; E474-Q478 PolarHBondContact O-N 2.85Å; K475-Q478 PolarHBondContact O-N 2.87Å; K475-Q478 VanDerWaalsContact O-N 3.16Å; A476-Q478 VanDerWaalsContact C-N 3.32Å; A476-Q478 PolarHBondContact O-N 3.41Å; Q478-A480 VanDerWaalsContact C-N 3.31Å; Q478-A480 PolarHBondContact O-N 3.13Å; Q478-R481 WeakPolarHBondContact O-CB 3.34Å; Q478-R481 PolarHBondContact O-N 3.44Å; Q478-R481 VanDerWaalsContact O-N 3.08Å; Q478-D482 PolarHBondContact O-N 3.45Å
479	E	80.4	Confident	71.8	Confident	85 Å²	85	108.5 Å²	108.5	40%	0.397	58%	0.579	S	S	.	*	H	α-helix	trans	-62.3	-36.5	175.9	-71.5	-179	-172.6	0	0	112.4	K475 A476 R481 D482 R483	K475-E479 WeakPolarHBondContact CE-OE1 3.28Å; K475-E479 WeakPolarHBondContact O-CG 3.5Å; K475-E479 PolarHBondContact O-N 2.85Å; A476-E479 PolarHBondContact O-N 3.29Å; E479-R481 VanDerWaalsContact C-N 3.35Å; E479-D482 PolarHBondContact O-N 3.39Å; E479-R483 WeakPolarHBondContact O-CG 3.12Å; E479-R483 PolarHBondContact O-N 3.17Å
480	A	75.5	Confident	69.4	Low	53 Å²	53	113.6 Å²	113.6	44%	0.438	60%	0.603	S	S	.	*	H	α-helix	trans	-65.3	-37	173.4	0	0	0	0	0	112.2	A476 Q478 T484	A476-A480 VanDerWaalsContact O-CB 3.28Å; A476-A480 WeakPolarHBondContact O-CB 3.21Å; A476-A480 PolarHBondContact O-N 2.96Å; Q478-A480 VanDerWaalsContact C-N 3.31Å; Q478-A480 PolarHBondContact O-N 3.13Å; A480-T484 WeakPolarHBondContact O-CB 3.26Å; A480-T484 PolarHBondContact O-N 3.36Å; A480-T484 VanDerWaalsContact O-N 3.12Å; A480-T484 PolarHBondContact O-OG1 3.14Å
481	R	68.4	Low	67.3	Low	183 Å²	183	109.6 Å²	109.6	69%	0.691	59%	0.593	S	S	*	*	H	α-helix	trans	-66.1	-38.2	173.1	-72.1	168.1	-175.6	179.9	3.5	111.6	A477 Q478 E479 S485	A477-R481 WeakPolarHBondContact O-CD 3.22Å; A477-R481 VanDerWaalsContact O-CG 3.23Å; A477-R481 WeakPolarHBondContact O-CG 3.39Å; A477-R481 PolarHBondContact O-N 3.48Å; Q478-R481 WeakPolarHBondContact O-CB 3.34Å; Q478-R481 PolarHBondContact O-N 3.44Å; Q478-R481 VanDerWaalsContact O-N 3.08Å; E479-R481 VanDerWaalsContact C-N 3.35Å; R481-S485 PolarHBondContact O-OG 3.33Å
482	D	68.1	Low	65.1	Low	103 Å²	103	110.4 Å²	110.4	55%	0.551	61%	0.608	S	S	*	*	H	α-helix	trans	-72	-40.8	178.7	-68.8	-19	0	0	0	112.3	Q478 E479 S485 S486	Q478-D482 PolarHBondContact O-N 3.45Å; E479-D482 PolarHBondContact O-N 3.39Å; D482-S485 PolarHBondContact O-N 2.83Å; D482-S486 PolarHBondContact O-OG 3.03Å
483	R	61.8	Low	63.1	Low	186 Å²	186	109.4 Å²	109.4	70%	0.702	61%	0.607	S	S	*	*	H	α-helix	trans	-69.1	-34.8	177	-74	-174.6	-175.4	-171.9	4.8	113.7	E479 S485 S486	E479-R483 WeakPolarHBondContact O-CG 3.12Å; E479-R483 PolarHBondContact O-N 3.17Å; R483-S485 PolarHBondContact O-N 2.99Å; R483-S486 PolarHBondContact O-N 3.1Å; R483-S486 PolarHBondContact O-OG 2.98Å
484	T	53.8	Low	61.6	Low	103 Å²	103	106.3 Å²	106.3	63%	0.632	60%	0.597	S	S	*	*	H	α-helix	trans	-68	-20.6	176.5	-46.1	0	0	0	0	111.5	A480	A480-T484 WeakPolarHBondContact O-CB 3.26Å; A480-T484 PolarHBondContact O-N 3.36Å; A480-T484 VanDerWaalsContact O-N 3.12Å; A480-T484 PolarHBondContact O-OG1 3.14Å
485	S	51.8	Low	60.1	Low	107 Å²	107	106.1 Å²	106.1	75%	0.748	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-7.4	179.1	-59.2	0	0	0	0	114.2	R481 D482 R483	R481-S485 PolarHBondContact O-OG 3.33Å; D482-S485 PolarHBondContact O-N 2.83Å; R483-S485 PolarHBondContact O-N 2.99Å
486	S	49.9	Very low	59.1	Low	89 Å²	89	101.9 Å²	101.9	62%	0.622	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	-3.4	-172.9	46.9	0	0	0	0	116.5	D482 R483	D482-S486 PolarHBondContact O-OG 3.03Å; R483-S486 PolarHBondContact O-N 3.1Å; R483-S486 PolarHBondContact O-OG 2.98Å
487	D	45.7	Very low	59	Low	141 Å²	141	105.5 Å²	105.5	75%	0.754	61%	0.607	S	S	*	*			trans	-130.9	21.7	-171.6	-117	-18.3	0	0	0	116.6
488	T	42.8	Very low	59.3	Low	100 Å²	100	104 Å²	104	61%	0.613	59%	0.594	S	S	*	*			trans	-103.4	68.1	172.6	-41.2	0	0	0	0	111.5	Q490 A491	T488-Q490 VanDerWaalsContact C-N 3.27Å; T488-Q490 PolarHBondContact O-N 3.01Å; T488-A491 HydrophobicContact CG2-CB 4.13Å
489	S	39.4	Very low	59.8	Low	114 Å²	114	99.2 Å²	99.2	80%	0.797	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	48.1	171.2	55	0	0	0	0	112.2
490	Q	42.5	Very low	60.3	Low	199 Å²	199	97.3 Å²	97.3	93%	0.93	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.6	32	165.1	-141.1	172.4	-40.5	0	0	114.8	T488	T488-Q490 VanDerWaalsContact C-N 3.27Å; T488-Q490 PolarHBondContact O-N 3.01Å
491	A	44.4	Very low	61.1	Low	45 Å²	45	97.4 Å²	97.4	37%	0.372	56%	0.559	S	S	.	*	S	Bend	trans	-121.2	118.3	165.5	0	0	0	0	0	108.3	T488 D493 T494	T488-A491 HydrophobicContact CG2-CB 4.13Å; A491-D493 PolarHBondContact O-N 3.03Å; A491-T494 HydrophobicContact CB-CG2 4.01Å
492	G	45.5	Very low	62.2	Low	73 Å²	73	90 Å²	90	75%	0.753	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	127.2	-179.8	0	0	0	0	0	111.6	T494	G492-T494 PolarHBondContact O-N 2.99Å; G492-T494 VanDerWaalsContact O-N 3.16Å
493	D	47.6	Very low	63.3	Low	119 Å²	119	91.4 Å²	91.4	64%	0.636	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	30.9	64.8	169.2	-155.8	3.7	0	0	0	115.9	A491 S495 S496	A491-D493 PolarHBondContact O-N 3.03Å; D493-S495 PolarHBondContact O-N 3.47Å; D493-S495 WeakPolarHBondContact OD1-CB 3.39Å; D493-S495 PolarHBondContact OD1-N 2.83Å; D493-S496 PolarHBondContact O-OG 3.22Å
494	T	55.5	Low	64.7	Low	71 Å²	71	85 Å²	85	44%	0.436	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-1.9	169.1	51.1	0	0	0	0	112.6	A491 G492 S496 P528	A491-T494 HydrophobicContact CB-CG2 4.01Å; G492-T494 PolarHBondContact O-N 2.99Å; G492-T494 VanDerWaalsContact O-N 3.16Å; T494-S496 VanDerWaalsContact C-N 3.3Å; T494-P528 HydrophobicContact CG2-CB 4.49Å; T494-P528 HydrophobicContact CG2-CG 4.03Å
495	S	54.8	Low	66.6	Low	107 Å²	107	81.1 Å²	81.1	75%	0.748	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	4	176.9	-173.6	0	0	0	0	113.6	D493	D493-S495 PolarHBondContact O-N 3.47Å; D493-S495 WeakPolarHBondContact OD1-CB 3.39Å; D493-S495 PolarHBondContact OD1-N 2.83Å
496	S	66	Low	68.7	Low	40 Å²	40	82 Å²	82	28%	0.28	51%	0.506	S	S	.	.	S	Bend	trans	-71.5	139.6	174.5	61.6	0	0	0	0	111.7	D493 T494 A498 Y499	D493-S496 PolarHBondContact O-OG 3.22Å; T494-S496 VanDerWaalsContact C-N 3.3Å; S496-A498 PolarHBondContact O-N 3.49Å; S496-Y499 PolarHBondContact O-N 3.35Å
497	D	84.3	Confident	70.7	Confident	130 Å²	130	82.9 Å²	82.9	70%	0.695	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-52.8	-18.6	171.1	-174.1	50.3	0	0	0	112.4	Y499 A500 K568	D497-Y499 VanDerWaalsContact C-N 3.26Å; D497-Y499 PolarHBondContact O-N 2.93Å; D497-A500 WeakPolarHBondContact O-CB 3.49Å; D497-A500 PolarHBondContact O-N 3.47Å; D497-A500 VanDerWaalsContact O-N 3.14Å; D497-K568 WeakPolarHBondContact O-CE 3.39Å; D497-K568 PolarHBondContact O-NZ 3.13Å
498	A	86.9	Confident	73	Confident	12 Å²	12	83.6 Å²	83.6	10%	0.099	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-55.2	-36.9	173.1	0	0	0	0	0	113.4	S496 V531 G534 G536 C567 K568	S496-A498 PolarHBondContact O-N 3.49Å; A498-V531 HydrophobicContact CB-CB 4.32Å; A498-V531 HydrophobicContact CB-CG1 3.57Å; A498-V531 HydrophobicContact CB-CG2 3.72Å; A498-G534 WeakPolarHBondContact CA-O 3.44Å; A498-G534 VanDerWaalsContact CB-O 3.31Å; A498-G534 WeakPolarHBondContact CB-O 3.36Å; A498-G536 VanDerWaalsContact O-CA 3.29Å; A498-G536 WeakPolarHBondContact O-CA 3.36Å; A498-G536 PolarHBondContact O-N 2.78Å; A498-C567 PolarHBondContact O-SG 3.48Å; A498-K568 WeakPolarHBondContact O-CE 3.25Å
499	Y	90.9	Very high	75.5	Confident	24 Å²	24	79 Å²	79	9%	0.094	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-85.8	-9.3	179.9	-73.6	-67.3	0	0	0	114	S496 D497 W501 P528 K530 V531 Y538	S496-Y499 PolarHBondContact O-N 3.35Å; D497-Y499 VanDerWaalsContact C-N 3.26Å; D497-Y499 PolarHBondContact O-N 2.93Å; Y499-W501 PolarHBondContact O-N 2.69Å; Y499-P528 HydrophobicContact CD1-CB 3.8Å; Y499-P528 HydrophobicContact CE1-CB 3.56Å; Y499-P528 HydrophobicContact CG-CB 4.44Å; Y499-K530 VanDerWaalsContact OH-C 3.28Å; Y499-K530 WeakPolarHBondContact OH-CA 3.28Å; Y499-K530 PolarHBondContact OH-N 2.86Å; Y499-V531 HydrophobicContact CD2-CG2 4.12Å; Y499-V531 HydrophobicContact CE1-CG2 4.18Å; Y499-V531 HydrophobicContact CE2-CG2 3.48Å; Y499-V531 VanDerWaalsContact CE2-CG2 3.48Å; Y499-Y538 AromaticContact CD1-CE2 3.89Å; Y499-Y538 HydrophobicContact CD1-CE2 3.89Å; Y499-Y538 PolarHBondContact O-OH 3.43Å; Y499-Y538 VanDerWaalsContact O-OH 3.09Å
500	A	90.5	Very high	78.2	Confident	45 Å²	45	73.9 Å²	73.9	37%	0.372	43%	0.433	S	S	.	.	S	Bend	trans	-64.1	122.1	175.7	0	0	0	0	0	110.7	D497 K568	D497-A500 WeakPolarHBondContact O-CB 3.49Å; D497-A500 PolarHBondContact O-N 3.47Å; D497-A500 VanDerWaalsContact O-N 3.14Å; A500-K568 WeakPolarHBondContact O-CD 3.43Å; A500-K568 VanDerWaalsContact O-CE 3.27Å; A500-K568 WeakPolarHBondContact O-CE 3.23Å; A500-K568 PolarHBondContact O-NZ 3.03Å
501	W	92.8	Very high	80.7	Confident	55 Å²	55	68.7 Å²	68.7	21%	0.208	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-65.5	135.5	177.5	-72	78.8	0	0	0	110.8	Y499 V505 R506 L526 Y538 I565 C567	Y499-W501 PolarHBondContact O-N 2.69Å; W501-V505 HydrophobicContact CE3-CB 4.25Å; W501-V505 HydrophobicContact CE3-CG1 3.87Å; W501-V505 HydrophobicContact CZ3-CG1 4Å; W501-R506 HydrophobicContact CB-CB 4.43Å; W501-R506 HydrophobicContact CD2-CB 3.66Å; W501-R506 HydrophobicContact CD2-CG 4.1Å; W501-R506 VanDerWaalsContact CE3-CA 3.44Å; W501-R506 HydrophobicContact CE3-CB 3.53Å; W501-R506 HydrophobicContact CE3-CG 4.21Å; W501-R506 HydrophobicContact CG-CB 4.08Å; W501-R506 HydrophobicContact CH2-CG 4.44Å; W501-R506 HydrophobicContact CZ2-CG 4.37Å; W501-R506 HydrophobicContact CZ3-CB 4Å; W501-R506 HydrophobicContact CZ3-CG 4.37Å; W501-L526 HydrophobicContact CZ2-CD1 3.96Å; W501-L526 HydrophobicContact CZ2-CD2 4.31Å; W501-Y538 AromaticContact CE2-CD2 3.83Å; W501-Y538 AromaticContact CE2-CE2 3.82Å; W501-Y538 HydrophobicContact CH2-CD2 4.48Å; W501-Y538 HydrophobicContact CZ2-CD1 4.5Å; W501-Y538 AromaticContact CZ2-CD2 3.6Å; W501-Y538 HydrophobicContact CZ2-CD2 3.6Å; W501-Y538 HydrophobicContact CZ2-CE2 4.08Å; W501-Y538 AromaticContact CZ2-CG 3.83Å; W501-Y538 HydrophobicContact CZ2-CG 3.83Å; W501-Y538 AromaticContact NE1-CD2 3.83Å; W501-Y538 AromaticContact NE1-CE2 3.36Å; W501-Y538 AromaticContact NE1-CZ 3.56Å; W501-I565 HydrophobicContact CH2-CB 4.24Å; W501-I565 HydrophobicContact CH2-CD1 4.29Å; W501-I565 HydrophobicContact CH2-CG2 3.68Å; W501-I565 HydrophobicContact CZ3-CG2 3.86Å; W501-C567 WeakPolarHBondContact CA-O 3.24Å; W501-C567 HydrophobicContact CD2-CB 3.69Å; W501-C567 HydrophobicContact CE3-CB 3.91Å; W501-C567 HydrophobicContact CG-CB 4.03Å; W501-C567 HydrophobicContact CZ2-CB 4.38Å; W501-C567 HydrophobicContact CZ3-CB 4.37Å
502	A	91.6	Very high	83	Confident	28 Å²	28	68.3 Å²	68.3	23%	0.231	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-64	144.8	168.2	0	0	0	0	0	109.9	G504 V505 C567 K568	A502-G504 PolarHBondContact O-N 2.95Å; A502-V505 HydrophobicContact CB-CB 4.34Å; A502-V505 HydrophobicContact CB-CG2 3.64Å; A502-V505 WeakPolarHBondContact O-CB 3.42Å; A502-V505 PolarHBondContact O-N 3.04Å; A502-C567 PolarHBondContact N-O 3.03Å; A502-K568 WeakPolarHBondContact CB-O 3.27Å
503	P	91.7	Very high	85.4	Confident	131 Å²	131	64.8 Å²	64.8	85%	0.851	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	129	-176.8	-28.9	35.2	0	0	0	112.6	V505	P503-V505 PolarHBondContact O-N 3.2Å; P503-V505 VanDerWaalsContact O-N 3.12Å
504	G	90.8	Very high	87.6	Confident	53 Å²	53	61.4 Å²	61.4	55%	0.546	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-11.9	179.3	0	0	0	0	0	116.2	A502 R506 E507 K508	A502-G504 PolarHBondContact O-N 2.95Å; G504-R506 PolarHBondContact O-N 2.63Å; G504-E507 PolarHBondContact O-N 3.14Å; G504-K508 WeakPolarHBondContact O-CB 3.13Å; G504-K508 PolarHBondContact O-N 2.99Å
505	V	93.2	Very high	89.4	Confident	21 Å²	21	62.7 Å²	62.7	13%	0.127	36%	0.359	C	S	.	.	H	α-helix	trans	-64.3	-44.3	-178.2	173.2	0	0	0	0	111.6	W501 A502 P503 K508 V509 G570	W501-V505 HydrophobicContact CE3-CB 4.25Å; W501-V505 HydrophobicContact CE3-CG1 3.87Å; W501-V505 HydrophobicContact CZ3-CG1 4Å; A502-V505 HydrophobicContact CB-CB 4.34Å; A502-V505 HydrophobicContact CB-CG2 3.64Å; A502-V505 WeakPolarHBondContact O-CB 3.42Å; A502-V505 PolarHBondContact O-N 3.04Å; P503-V505 PolarHBondContact O-N 3.2Å; P503-V505 VanDerWaalsContact O-N 3.12Å; V505-K508 PolarHBondContact O-N 2.89Å; V505-V509 HydrophobicContact CG1-CG2 4.42Å; V505-V509 VanDerWaalsContact O-CG2 3.32Å; V505-V509 WeakPolarHBondContact O-CG2 3.42Å; V505-V509 PolarHBondContact O-N 2.92Å; V505-G570 VanDerWaalsContact CG1-N 3.29Å
506	R	95.3	Very high	91.3	Very high	124 Å²	124	64.1 Å²	64.1	47%	0.468	35%	0.348	S	S	.	.	H	α-helix	trans	-58.5	-52.1	177.6	-172.4	179.8	174.9	-167	-1.7	111.2	W501 G504 K508 V509 I510 L526	W501-R506 HydrophobicContact CB-CB 4.43Å; W501-R506 HydrophobicContact CD2-CB 3.66Å; W501-R506 HydrophobicContact CD2-CG 4.1Å; W501-R506 VanDerWaalsContact CE3-CA 3.44Å; W501-R506 HydrophobicContact CE3-CB 3.53Å; W501-R506 HydrophobicContact CE3-CG 4.21Å; W501-R506 HydrophobicContact CG-CB 4.08Å; W501-R506 HydrophobicContact CH2-CG 4.44Å; W501-R506 HydrophobicContact CZ2-CG 4.37Å; W501-R506 HydrophobicContact CZ3-CB 4Å; W501-R506 HydrophobicContact CZ3-CG 4.37Å; G504-R506 PolarHBondContact O-N 2.63Å; R506-K508 VanDerWaalsContact C-N 3.35Å; R506-K508 PolarHBondContact O-N 2.83Å; R506-V509 PolarHBondContact O-N 2.83Å; R506-I510 HydrophobicContact CG-CG1 4.38Å; R506-I510 WeakPolarHBondContact O-CG1 3.48Å; R506-I510 PolarHBondContact O-N 3.36Å; R506-L526 HydrophobicContact CG-CD1 4.38Å
507	E	93.5	Very high	92.6	Very high	108 Å²	108	62.7 Å²	62.7	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-58.2	-48.6	-179.3	-170.7	58	-144.4	0	0	110.8	G504 V509 I510 Q511	G504-E507 PolarHBondContact O-N 3.14Å; E507-V509 VanDerWaalsContact C-N 3.35Å; E507-V509 PolarHBondContact O-N 3.14Å; E507-I510 PolarHBondContact O-N 2.97Å; E507-Q511 HydrophobicContact CG-CG 4.25Å; E507-Q511 WeakPolarHBondContact O-CB 3.11Å; E507-Q511 VanDerWaalsContact O-CG 3.24Å; E507-Q511 WeakPolarHBondContact O-CG 3.48Å; E507-Q511 PolarHBondContact O-N 3.18Å; E507-Q511 VanDerWaalsContact OE1-CG 3.28Å; E507-Q511 WeakPolarHBondContact OE1-CG 3.1Å; E507-Q511 PolarHBondContact OE1-NE2 2.99Å
508	K	92.8	Very high	93.1	Very high	157 Å²	157	59.9 Å²	59.9	68%	0.683	32%	0.32	S	S	*	.	H	α-helix	trans	-59	-43.8	179.4	-172.9	176.5	-178	178.1	0	112.5	G504 V505 R506 T512	G504-K508 WeakPolarHBondContact O-CB 3.13Å; G504-K508 PolarHBondContact O-N 2.99Å; V505-K508 PolarHBondContact O-N 2.89Å; R506-K508 VanDerWaalsContact C-N 3.35Å; R506-K508 PolarHBondContact O-N 2.83Å; K508-T512 WeakPolarHBondContact O-CB 3.29Å; K508-T512 PolarHBondContact O-N 3.05Å; K508-T512 PolarHBondContact O-OG1 2.93Å
509	V	95.4	Very high	93.5	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-43.7	179.5	176.3	0	0	0	0	111.1	V505 R506 E507 T512 C513 I565 G570 F572	V505-V509 HydrophobicContact CG1-CG2 4.42Å; V505-V509 VanDerWaalsContact O-CG2 3.32Å; V505-V509 WeakPolarHBondContact O-CG2 3.42Å; V505-V509 PolarHBondContact O-N 2.92Å; R506-V509 PolarHBondContact O-N 2.83Å; E507-V509 VanDerWaalsContact C-N 3.35Å; E507-V509 PolarHBondContact O-N 3.14Å; V509-T512 WeakPolarHBondContact O-CB 3.4Å; V509-T512 PolarHBondContact O-N 2.93Å; V509-C513 PolarHBondContact O-N 2.66Å; V509-C513 PolarHBondContact O-SG 2.85Å; V509-I565 HydrophobicContact CB-CG2 4.45Å; V509-I565 HydrophobicContact CG1-CD1 3.59Å; V509-I565 HydrophobicContact CG1-CG1 3.94Å; V509-I565 HydrophobicContact CG1-CG2 3.97Å; V509-I565 HydrophobicContact CG2-CG2 4.05Å; V509-G570 WeakPolarHBondContact CG2-O 3.26Å; V509-F572 HydrophobicContact CG1-CD1 4.02Å; V509-F572 HydrophobicContact CG1-CE1 4.48Å; V509-F572 HydrophobicContact CG2-CD1 4.42Å
510	I	96	Very high	93.6	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-47.5	177.9	-66.2	-54.8	0	0	0	111	R506 E507 T512 C513 I514 I519 Y524 L526 L540	R506-I510 HydrophobicContact CG-CG1 4.38Å; R506-I510 WeakPolarHBondContact O-CG1 3.48Å; R506-I510 PolarHBondContact O-N 3.36Å; E507-I510 PolarHBondContact O-N 2.97Å; I510-T512 VanDerWaalsContact C-N 3.26Å; I510-T512 PolarHBondContact O-N 3.02Å; I510-C513 CarbonylContact O-C 3.55Å; I510-C513 WeakPolarHBondContact O-CA 3.38Å; I510-C513 PolarHBondContact O-N 3.14Å; I510-I514 HydrophobicContact CG2-CD1 3.85Å; I510-I514 HydrophobicContact CG2-CG1 4.34Å; I510-I514 WeakPolarHBondContact O-CG1 3.29Å; I510-I514 PolarHBondContact O-N 3.01Å; I510-I519 HydrophobicContact CD1-CD1 4.11Å; I510-I519 HydrophobicContact CG2-CD1 4.13Å; I510-Y524 HydrophobicContact CD1-CD2 3.78Å; I510-Y524 HydrophobicContact CD1-CE2 3.38Å; I510-Y524 HydrophobicContact CG1-CE2 3.96Å; I510-Y524 HydrophobicContact CG2-CE1 3.87Å; I510-Y524 HydrophobicContact CG2-CE2 4.48Å; I510-L526 HydrophobicContact CD1-CD1 4.37Å; I510-L540 HydrophobicContact CD1-CD1 3.88Å
511	Q	94.4	Very high	93.6	Very high	90 Å²	90	65.6 Å²	65.6	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-59.7	-36.9	174.8	-69.9	-63.7	-22.4	0	0	112.2	E507 I514 S515	E507-Q511 HydrophobicContact CG-CG 4.25Å; E507-Q511 WeakPolarHBondContact O-CB 3.11Å; E507-Q511 VanDerWaalsContact O-CG 3.24Å; E507-Q511 WeakPolarHBondContact O-CG 3.48Å; E507-Q511 PolarHBondContact O-N 3.18Å; E507-Q511 VanDerWaalsContact OE1-CG 3.28Å; E507-Q511 WeakPolarHBondContact OE1-CG 3.1Å; E507-Q511 PolarHBondContact OE1-NE2 2.99Å; Q511-I514 PolarHBondContact O-N 2.99Å; Q511-S515 WeakPolarHBondContact O-CB 3.44Å; Q511-S515 PolarHBondContact O-N 3.16Å; Q511-S515 PolarHBondContact O-OG 2.67Å
512	T	94.4	Very high	93.4	Very high	37 Å²	37	66.1 Å²	66.1	23%	0.227	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-40.6	172.9	-58.1	0	0	0	0	111.4	K508 V509 I510 S515 R516 F572	K508-T512 WeakPolarHBondContact O-CB 3.29Å; K508-T512 PolarHBondContact O-N 3.05Å; K508-T512 PolarHBondContact O-OG1 2.93Å; V509-T512 WeakPolarHBondContact O-CB 3.4Å; V509-T512 PolarHBondContact O-N 2.93Å; I510-T512 VanDerWaalsContact C-N 3.26Å; I510-T512 PolarHBondContact O-N 3.02Å; T512-S515 WeakPolarHBondContact CA-OG 3.44Å; T512-S515 PolarHBondContact O-OG 3.25Å; T512-R516 WeakPolarHBondContact O-CB 3.08Å; T512-R516 VanDerWaalsContact O-CG 3.24Å; T512-R516 WeakPolarHBondContact O-CG 3.36Å; T512-R516 PolarHBondContact O-N 3.25Å; T512-F572 HydrophobicContact CG2-CE1 4.23Å; T512-F572 HydrophobicContact CG2-CZ 4Å
513	C	94.7	Very high	93.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-71.7	-35.8	178.5	-64.2	0	0	0	0	112.3	V509 I510 G517 Y518 I519 L540	V509-C513 PolarHBondContact O-N 2.66Å; V509-C513 PolarHBondContact O-SG 2.85Å; I510-C513 CarbonylContact O-C 3.55Å; I510-C513 WeakPolarHBondContact O-CA 3.38Å; I510-C513 PolarHBondContact O-N 3.14Å; C513-G517 PolarHBondContact O-N 2.96Å; C513-Y518 HydrophobicContact CB-CD2 4.22Å; C513-Y518 WeakPolarHBondContact O-CB 3.45Å; C513-Y518 PolarHBondContact O-N 3Å; C513-I519 HydrophobicContact CB-CD1 3.72Å; C513-I519 HydrophobicContact CB-CG1 3.72Å; C513-L540 HydrophobicContact CB-CD2 4.01Å; C513-L540 VanDerWaalsContact SG-CD2 3.56Å
514	I	94.3	Very high	93.5	Very high	48 Å²	48	61.5 Å²	61.5	25%	0.246	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-51	172.9	-67.5	171.3	0	0	0	110.2	I510 Q511 R516 G517 I519	I510-I514 HydrophobicContact CG2-CD1 3.85Å; I510-I514 HydrophobicContact CG2-CG1 4.34Å; I510-I514 WeakPolarHBondContact O-CG1 3.29Å; I510-I514 PolarHBondContact O-N 3.01Å; Q511-I514 PolarHBondContact O-N 2.99Å; I514-R516 VanDerWaalsContact C-N 3.27Å; I514-R516 PolarHBondContact O-N 2.97Å; I514-G517 WeakPolarHBondContact O-CA 3.49Å; I514-G517 PolarHBondContact O-N 3.11Å; I514-I519 HydrophobicContact CG1-CD1 4.12Å; I514-I519 HydrophobicContact CG1-CG1 3.81Å
515	S	93.5	Very high	93.8	Very high	97 Å²	97	60.6 Å²	60.6	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-63.8	-30	179.8	54.2	0	0	0	0	113.5	Q511 T512 G517	Q511-S515 WeakPolarHBondContact O-CB 3.44Å; Q511-S515 PolarHBondContact O-N 3.16Å; Q511-S515 PolarHBondContact O-OG 2.67Å; T512-S515 WeakPolarHBondContact CA-OG 3.44Å; T512-S515 PolarHBondContact O-OG 3.25Å; S515-G517 PolarHBondContact O-N 3.2Å
516	R	94	Very high	93.8	Very high	137 Å²	137	61.4 Å²	61.4	52%	0.517	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5	170.9	-71	179.9	-177.9	-166	3.2	113.9	T512 I514 Y518	T512-R516 WeakPolarHBondContact O-CB 3.08Å; T512-R516 VanDerWaalsContact O-CG 3.24Å; T512-R516 WeakPolarHBondContact O-CG 3.36Å; T512-R516 PolarHBondContact O-N 3.25Å; I514-R516 VanDerWaalsContact C-N 3.27Å; I514-R516 PolarHBondContact O-N 2.97Å; R516-Y518 VanDerWaalsContact C-N 3.32Å; R516-Y518 HydrophobicContact CB-CD1 4.18Å; R516-Y518 HydrophobicContact CB-CD2 4.06Å; R516-Y518 HydrophobicContact CB-CE1 4.04Å; R516-Y518 HydrophobicContact CB-CE2 3.91Å; R516-Y518 HydrophobicContact CB-CG 4.2Å; R516-Y518 HydrophobicContact CG-CE2 4.42Å; R516-Y518 PolarHBondContact O-N 3.23Å
517	G	93.9	Very high	93.7	Very high	11 Å²	11	59.7 Å²	59.7	11%	0.113	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	18.6	-179.7	0	0	0	0	0	114.5	C513 I514 S515 A547 S548 L549	C513-G517 PolarHBondContact O-N 2.96Å; I514-G517 WeakPolarHBondContact O-CA 3.49Å; I514-G517 PolarHBondContact O-N 3.11Å; S515-G517 PolarHBondContact O-N 3.2Å; G517-A547 WeakPolarHBondContact O-CB 3.26Å; G517-S548 PolarHBondContact O-N 3.01Å; G517-S548 VanDerWaalsContact O-N 3.15Å; G517-L549 WeakPolarHBondContact O-CB 3.03Å; G517-L549 PolarHBondContact O-N 3.25Å
518	Y	94.3	Very high	93.6	Very high	71 Å²	71	57.2 Å²	57.2	28%	0.278	30%	0.302	S	S	.	.	S	Bend	trans	-74.4	-33.5	176.4	-58.9	-24.8	0	0	0	112.2	C513 R516 L549	C513-Y518 HydrophobicContact CB-CD2 4.22Å; C513-Y518 WeakPolarHBondContact O-CB 3.45Å; C513-Y518 PolarHBondContact O-N 3Å; R516-Y518 VanDerWaalsContact C-N 3.32Å; R516-Y518 HydrophobicContact CB-CD1 4.18Å; R516-Y518 HydrophobicContact CB-CD2 4.06Å; R516-Y518 HydrophobicContact CB-CE1 4.04Å; R516-Y518 HydrophobicContact CB-CE2 3.91Å; R516-Y518 HydrophobicContact CB-CG 4.2Å; R516-Y518 HydrophobicContact CG-CE2 4.42Å; R516-Y518 PolarHBondContact O-N 3.23Å; Y518-L549 HydrophobicContact CD1-CB 4.5Å; Y518-L549 HydrophobicContact CD1-CD2 3.84Å; Y518-L549 HydrophobicContact CG-CD2 4.36Å
519	I	95.7	Very high	93.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	29%	0.289	C	S	.	.			trans	-142.2	170.4	-178.4	56.8	172.8	0	0	0	110.3	I510 C513 I514 Y524 L540 A542 L562	I510-I519 HydrophobicContact CD1-CD1 4.11Å; I510-I519 HydrophobicContact CG2-CD1 4.13Å; C513-I519 HydrophobicContact CB-CD1 3.72Å; C513-I519 HydrophobicContact CB-CG1 3.72Å; I514-I519 HydrophobicContact CG1-CD1 4.12Å; I514-I519 HydrophobicContact CG1-CG1 3.81Å; I519-Y524 HydrophobicContact CD1-CD1 3.78Å; I519-Y524 HydrophobicContact CD1-CD2 4.4Å; I519-Y524 HydrophobicContact CD1-CE1 4.43Å; I519-Y524 HydrophobicContact CD1-CG 3.77Å; I519-L540 HydrophobicContact CD1-CD1 4.43Å; I519-L540 HydrophobicContact CD1-CD2 4.33Å; I519-A542 HydrophobicContact CG2-CB 4.02Å; I519-L562 HydrophobicContact CG2-CD1 3.38Å
520	V	93.4	Very high	93.2	Very high	34 Å²	34	56.6 Å²	56.6	21%	0.206	30%	0.304	C	S	.	.			trans	-120.7	164.5	167.5	-65.6	0	0	0	0	109.6	G522 G523 R546 A547	V520-G522 PolarHBondContact O-N 3.29Å; V520-G523 PolarHBondContact O-N 3.28Å; V520-R546 HydrophobicContact CG1-CB 4.11Å; V520-R546 HydrophobicContact CG2-CB 3.97Å; V520-A547 HydrophobicContact CG1-CB 4.08Å
521	E	90.3	Very high	92.8	Very high	164 Å²	164	59.3 Å²	59.3	77%	0.766	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	129.5	172.6	-166	169.2	-168.2	0	0	110.9	G523 R546	E521-G523 PolarHBondContact O-N 3.32Å; E521-R546 PolarHBondContact O-NH2 2.9Å
522	G	88.2	Confident	92.4	Very high	66 Å²	66	59.1 Å²	59.1	68%	0.68	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-2.4	-173.9	0	0	0	0	0	116.4	V520	V520-G522 PolarHBondContact O-N 3.29Å
523	G	91	Very high	91.9	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.01	35%	0.352	C	S	.	.			trans	-105.3	35.2	-175.3	0	0	0	0	0	115.5	V520 E521 T543	V520-G523 PolarHBondContact O-N 3.28Å; E521-G523 PolarHBondContact O-N 3.32Å; G523-T543 PolarHBondContact O-N 2.77Å; G523-T543 PolarHBondContact O-OG1 3.38Å
524	Y	95.5	Very high	91.5	Very high	61 Å²	61	67.7 Å²	67.7	24%	0.239	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.1	-178.9	70.2	-84.7	0	0	0	113.2	I510 I519 L526 L540 Y541 T543	I510-Y524 HydrophobicContact CD1-CD2 3.78Å; I510-Y524 HydrophobicContact CD1-CE2 3.38Å; I510-Y524 HydrophobicContact CG1-CE2 3.96Å; I510-Y524 HydrophobicContact CG2-CE1 3.87Å; I510-Y524 HydrophobicContact CG2-CE2 4.48Å; I519-Y524 HydrophobicContact CD1-CD1 3.78Å; I519-Y524 HydrophobicContact CD1-CD2 4.4Å; I519-Y524 HydrophobicContact CD1-CE1 4.43Å; I519-Y524 HydrophobicContact CD1-CG 3.77Å; Y524-L526 HydrophobicContact CD2-CG 4.45Å; Y524-L526 HydrophobicContact CE2-CD1 4.25Å; Y524-L526 HydrophobicContact CE2-CG 4.38Å; Y524-L540 HydrophobicContact CD2-CD1 3.61Å; Y524-L540 HydrophobicContact CE2-CD1 4.5Å; Y524-L540 HydrophobicContact CG-CD1 4.15Å; Y524-Y541 CarbonylContact C-O 3.56Å; Y524-Y541 WeakPolarHBondContact CA-O 3.2Å; Y524-Y541 VanDerWaalsContact CB-O 3.31Å; Y524-Y541 WeakPolarHBondContact CB-O 3.43Å; Y524-T543 WeakPolarHBondContact CA-OG1 3.36Å; Y524-T543 PolarHBondContact N-OG1 2.73Å
525	S	95.2	Very high	91.2	Very high	34 Å²	34	68.3 Å²	68.3	24%	0.238	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.5	169.6	66.6	0	0	0	0	111.7	L540 Y541	S525-L540 WeakPolarHBondContact O-CA 3.35Å; S525-Y541 PolarHBondContact N-O 3.19Å; S525-Y541 PolarHBondContact O-N 3.2Å
526	L	94.8	Very high	91.1	Very high	38 Å²	38	63.7 Å²	63.7	20%	0.199	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.4	177	-76.6	166.6	0	0	0	109.3	W501 R506 I510 Y524 Y538 N539 L540 I565	W501-L526 HydrophobicContact CZ2-CD1 3.96Å; W501-L526 HydrophobicContact CZ2-CD2 4.31Å; R506-L526 HydrophobicContact CG-CD1 4.38Å; I510-L526 HydrophobicContact CD1-CD1 4.37Å; Y524-L526 HydrophobicContact CD2-CG 4.45Å; Y524-L526 HydrophobicContact CE2-CD1 4.25Å; Y524-L526 HydrophobicContact CE2-CG 4.38Å; L526-Y538 HydrophobicContact CB-CD1 4.18Å; L526-N539 WeakPolarHBondContact CA-O 3.16Å; L526-L540 HydrophobicContact CD2-CB 4.04Å; L526-L540 HydrophobicContact CD2-CD1 3.75Å; L526-L540 HydrophobicContact CG-CD1 4.12Å; L526-I565 HydrophobicContact CD2-CD1 3.8Å
527	E	91.6	Very high	91.1	Very high	88 Å²	88	58.7 Å²	58.7	41%	0.411	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.1	179.5	-63.1	-179	167.4	0	0	110.5	V529 Y538 N539 Y541	E527-V529 WeakPolarHBondContact O-CG2 3.43Å; E527-Y538 CarbonylContact O-C 3.49Å; E527-Y538 WeakPolarHBondContact O-CA 3.37Å; E527-N539 PolarHBondContact N-O 3.46Å; E527-N539 PolarHBondContact O-N 3.23Å; E527-Y541 HydrophobicContact CB-CE2 4.07Å; E527-Y541 VanDerWaalsContact CD-CE2 3.44Å; E527-Y541 HydrophobicContact CG-CD2 4.29Å; E527-Y541 HydrophobicContact CG-CE2 3.81Å; E527-Y541 WeakPolarHBondContact OE2-CE2 3.29Å; E527-Y541 VanDerWaalsContact OE2-CZ 3.3Å; E527-Y541 PolarHBondContact OE2-OH 3.34Å
528	P	92.3	Very high	91.2	Very high	57 Å²	57	59.8 Å²	59.8	37%	0.37	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	141.3	174.4	28.8	-33.3	0	0	0	110.7	T494 Y499 Y538	T494-P528 HydrophobicContact CG2-CB 4.49Å; T494-P528 HydrophobicContact CG2-CG 4.03Å; Y499-P528 HydrophobicContact CD1-CB 3.8Å; Y499-P528 HydrophobicContact CE1-CB 3.56Å; Y499-P528 HydrophobicContact CG-CB 4.44Å; P528-Y538 HydrophobicContact CB-CD1 4.22Å; P528-Y538 HydrophobicContact CB-CE1 3.89Å; P528-Y538 HydrophobicContact CG-CE1 4.41Å
529	V	89.4	Confident	91.2	Very high	66 Å²	66	57.7 Å²	57.7	40%	0.4	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-55.4	-169.4	-175.3	0	0	0	0	112.6	E527 Y537 N539	E527-V529 WeakPolarHBondContact O-CG2 3.43Å; V529-Y537 PolarHBondContact N-O 3.35Å; V529-N539 HydrophobicContact CG2-CB 3.72Å; V529-N539 VanDerWaalsContact CG2-N 3.27Å; V529-N539 WeakPolarHBondContact CG2-ND2 3.22Å; V529-N539 VanDerWaalsContact CG2-OD1 3.31Å; V529-N539 WeakPolarHBondContact CG2-OD1 3.21Å
530	K	89.5	Confident	91.3	Very high	81 Å²	81	57.6 Å²	57.6	35%	0.352	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	158.4	-175.1	63.7	178.7	-174.5	170.5	0	110.6	Y499 E532 Y537	Y499-K530 VanDerWaalsContact OH-C 3.28Å; Y499-K530 WeakPolarHBondContact OH-CA 3.28Å; Y499-K530 PolarHBondContact OH-N 2.86Å; K530-E532 HydrophobicContact CD-CG 4.06Å; K530-E532 WeakPolarHBondContact CD-OE1 3.45Å; K530-E532 VanDerWaalsContact CE-CD 3.4Å; K530-E532 WeakPolarHBondContact CE-OE1 3.28Å; K530-E532 WeakPolarHBondContact CE-OE2 3.45Å; K530-E532 HydrophobicContact CG-CG 4.44Å; K530-E532 IonicContact NZ-OE1 3.38Å; K530-E532 PolarHBondContact NZ-OE1 3.13Å; K530-E532 IonicContact NZ-OE2 2.68Å; K530-E532 PolarHBondContact NZ-OE2 3.46Å; K530-Y537 HydrophobicContact CG-CD2 4.13Å; K530-Y537 HydrophobicContact CG-CG 4.17Å; K530-Y537 PolarHBondContact O-N 3.13Å
531	V	88.8	Confident	91.4	Very high	63 Å²	63	58 Å²	58	38%	0.382	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.9	167.1	177.8	0	0	0	0	108.1	A498 Y499 E535	A498-V531 HydrophobicContact CB-CB 4.32Å; A498-V531 HydrophobicContact CB-CG1 3.57Å; A498-V531 HydrophobicContact CB-CG2 3.72Å; Y499-V531 HydrophobicContact CD2-CG2 4.12Å; Y499-V531 HydrophobicContact CE1-CG2 4.18Å; Y499-V531 HydrophobicContact CE2-CG2 3.48Å; Y499-V531 VanDerWaalsContact CE2-CG2 3.48Å; V531-E535 WeakPolarHBondContact CA-O 3.47Å
532	E	84.8	Confident	91.6	Very high	85 Å²	85	50.1 Å²	50.1	40%	0.397	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.9	172.1	-65.6	-179.5	159.4	0	0	108.6	K530 G534 E535 Y537	K530-E532 HydrophobicContact CD-CG 4.06Å; K530-E532 WeakPolarHBondContact CD-OE1 3.45Å; K530-E532 VanDerWaalsContact CE-CD 3.4Å; K530-E532 WeakPolarHBondContact CE-OE1 3.28Å; K530-E532 WeakPolarHBondContact CE-OE2 3.45Å; K530-E532 HydrophobicContact CG-CG 4.44Å; K530-E532 IonicContact NZ-OE1 3.38Å; K530-E532 PolarHBondContact NZ-OE1 3.13Å; K530-E532 IonicContact NZ-OE2 2.68Å; K530-E532 PolarHBondContact NZ-OE2 3.46Å; E532-G534 PolarHBondContact O-N 3.46Å; E532-G534 VanDerWaalsContact O-N 3.14Å; E532-E535 PolarHBondContact N-O 2.88Å; E532-E535 PolarHBondContact O-N 3.27Å; E532-Y537 HydrophobicContact CB-CE2 3.86Å; E532-Y537 HydrophobicContact CG-CE2 4.38Å
533	N	85.5	Confident	91.9	Very high	169 Å²	169	49.8 Å²	49.8	90%	0.904	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	28.9	-177.5	-59.6	-26.7	0	0	0	115.2	E535	N533-E535 VanDerWaalsContact C-N 3.28Å
534	G	84.7	Confident	92	Very high	49 Å²	49	50.5 Å²	50.5	51%	0.505	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	5.3	-176.7	0	0	0	0	0	114.4	A498 E532	A498-G534 WeakPolarHBondContact CA-O 3.44Å; A498-G534 VanDerWaalsContact CB-O 3.31Å; A498-G534 WeakPolarHBondContact CB-O 3.36Å; E532-G534 PolarHBondContact O-N 3.46Å; E532-G534 VanDerWaalsContact O-N 3.14Å
535	E	89.7	Confident	91.8	Very high	61 Å²	61	50.5 Å²	50.5	29%	0.285	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.8	176.5	-51.3	-174.9	145.3	0	0	109.8	V531 E532 N533 Y537 N566 K568	V531-E535 WeakPolarHBondContact CA-O 3.47Å; E532-E535 PolarHBondContact N-O 2.88Å; E532-E535 PolarHBondContact O-N 3.27Å; N533-E535 VanDerWaalsContact C-N 3.28Å; E535-Y537 WeakPolarHBondContact O-CD2 3.44Å; E535-Y537 WeakPolarHBondContact O-CE2 3.37Å; E535-N566 PolarHBondContact OE2-ND2 2.81Å; E535-K568 HydrophobicContact CB-CB 4.32Å; E535-K568 HydrophobicContact CB-CG 3.88Å; E535-K568 HydrophobicContact CG-CB 4.14Å; E535-K568 HydrophobicContact CG-CG 3.89Å
536	G	91.3	Very high	91.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	144.2	177.9	0	0	0	0	0	112.1	A498 C567	A498-G536 VanDerWaalsContact O-CA 3.29Å; A498-G536 WeakPolarHBondContact O-CA 3.36Å; A498-G536 PolarHBondContact O-N 2.78Å; G536-C567 PolarHBondContact O-N 3.41Å; G536-C567 PolarHBondContact O-SG 2.88Å
537	Y	93.7	Very high	91.5	Very high	31 Å²	31	55 Å²	55	12%	0.122	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.8	176.1	-71.1	-102.2	0	0	0	110.7	V529 K530 E532 E535 T564 I565 N566	V529-Y537 PolarHBondContact N-O 3.35Å; K530-Y537 HydrophobicContact CG-CD2 4.13Å; K530-Y537 HydrophobicContact CG-CG 4.17Å; K530-Y537 PolarHBondContact O-N 3.13Å; E532-Y537 HydrophobicContact CB-CE2 3.86Å; E532-Y537 HydrophobicContact CG-CE2 4.38Å; E535-Y537 WeakPolarHBondContact O-CD2 3.44Å; E535-Y537 WeakPolarHBondContact O-CE2 3.37Å; Y537-T564 HydrophobicContact CD1-CG2 4.02Å; Y537-T564 HydrophobicContact CG-CG2 4.45Å; Y537-I565 CarbonylContact C-O 3.57Å; Y537-I565 WeakPolarHBondContact CA-O 3.34Å; Y537-N566 HydrophobicContact CD1-CB 4.07Å; Y537-N566 HydrophobicContact CE1-CB 3.68Å; Y537-N566 PolarHBondContact OH-ND2 3.33Å
538	Y	95.2	Very high	91.6	Very high	35 Å²	35	55.6 Å²	55.6	14%	0.137	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.3	176.8	-74	-96	0	0	0	111.3	Y499 W501 L526 E527 P528 T564 I565 C567	Y499-Y538 AromaticContact CD1-CE2 3.89Å; Y499-Y538 HydrophobicContact CD1-CE2 3.89Å; Y499-Y538 PolarHBondContact O-OH 3.43Å; Y499-Y538 VanDerWaalsContact O-OH 3.09Å; W501-Y538 AromaticContact CE2-CD2 3.83Å; W501-Y538 AromaticContact CE2-CE2 3.82Å; W501-Y538 HydrophobicContact CH2-CD2 4.48Å; W501-Y538 HydrophobicContact CZ2-CD1 4.5Å; W501-Y538 AromaticContact CZ2-CD2 3.6Å; W501-Y538 HydrophobicContact CZ2-CD2 3.6Å; W501-Y538 HydrophobicContact CZ2-CE2 4.08Å; W501-Y538 AromaticContact CZ2-CG 3.83Å; W501-Y538 HydrophobicContact CZ2-CG 3.83Å; W501-Y538 AromaticContact NE1-CD2 3.83Å; W501-Y538 AromaticContact NE1-CE2 3.36Å; W501-Y538 AromaticContact NE1-CZ 3.56Å; L526-Y538 HydrophobicContact CB-CD1 4.18Å; E527-Y538 CarbonylContact O-C 3.49Å; E527-Y538 WeakPolarHBondContact O-CA 3.37Å; P528-Y538 HydrophobicContact CB-CD1 4.22Å; P528-Y538 HydrophobicContact CB-CE1 3.89Å; P528-Y538 HydrophobicContact CG-CE1 4.41Å; Y538-T564 CarbonylContact O-C 3.56Å; Y538-T564 VanDerWaalsContact O-CA 3.29Å; Y538-T564 WeakPolarHBondContact O-CA 3.49Å; Y538-I565 PolarHBondContact N-O 2.9Å; Y538-I565 PolarHBondContact O-N 3.15Å; Y538-C567 HydrophobicContact CD2-CB 3.85Å; Y538-C567 HydrophobicContact CE2-CB 3.76Å
539	N	95.7	Very high	91.6	Very high	27 Å²	27	56.8 Å²	56.8	14%	0.144	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.6	163.4	-76.5	-12.6	0	0	0	108.9	L526 E527 V529 Y541 Y561 V563 T564	L526-N539 WeakPolarHBondContact CA-O 3.16Å; E527-N539 PolarHBondContact N-O 3.46Å; E527-N539 PolarHBondContact O-N 3.23Å; V529-N539 HydrophobicContact CG2-CB 3.72Å; V529-N539 VanDerWaalsContact CG2-N 3.27Å; V529-N539 WeakPolarHBondContact CG2-ND2 3.22Å; V529-N539 VanDerWaalsContact CG2-OD1 3.31Å; V529-N539 WeakPolarHBondContact CG2-OD1 3.21Å; N539-Y541 HydrophobicContact CB-CD2 4.32Å; N539-Y541 HydrophobicContact CB-CE2 3.53Å; N539-Y561 HydrophobicContact CB-CD2 4.02Å; N539-Y561 HydrophobicContact CB-CE2 3.95Å; N539-Y561 WeakPolarHBondContact OD1-CE2 3.49Å; N539-V563 WeakPolarHBondContact CA-O 3.3Å; N539-T564 PolarHBondContact OD1-OG1 3.5Å
540	L	96.3	Very high	91.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.9	170.4	178	69.2	0	0	0	109.1	I510 C513 I519 Y524 S525 L526 L562 V563 I565	I510-L540 HydrophobicContact CD1-CD1 3.88Å; C513-L540 HydrophobicContact CB-CD2 4.01Å; C513-L540 VanDerWaalsContact SG-CD2 3.56Å; I519-L540 HydrophobicContact CD1-CD1 4.43Å; I519-L540 HydrophobicContact CD1-CD2 4.33Å; Y524-L540 HydrophobicContact CD2-CD1 3.61Å; Y524-L540 HydrophobicContact CE2-CD1 4.5Å; Y524-L540 HydrophobicContact CG-CD1 4.15Å; S525-L540 WeakPolarHBondContact O-CA 3.35Å; L526-L540 HydrophobicContact CD2-CB 4.04Å; L526-L540 HydrophobicContact CD2-CD1 3.75Å; L526-L540 HydrophobicContact CG-CD1 4.12Å; L540-L562 HydrophobicContact CD2-CD1 4.1Å; L540-L562 HydrophobicContact CG-CD1 4.15Å; L540-L562 WeakPolarHBondContact O-CB 3.39Å; L540-L562 PolarHBondContact O-N 3.43Å; L540-V563 HydrophobicContact CB-CG2 3.89Å; L540-V563 HydrophobicContact CD2-CG2 3.95Å; L540-V563 PolarHBondContact N-O 3.47Å; L540-I565 HydrophobicContact CB-CD1 3.79Å; L540-I565 HydrophobicContact CD2-CD1 4.34Å
541	Y	95.5	Very high	91.7	Very high	41 Å²	41	58.1 Å²	58.1	16%	0.161	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.2	173.4	-56	-104.7	0	0	0	111.1	Y524 S525 E527 N539 P559 M560 Y561	Y524-Y541 CarbonylContact C-O 3.56Å; Y524-Y541 WeakPolarHBondContact CA-O 3.2Å; Y524-Y541 VanDerWaalsContact CB-O 3.31Å; Y524-Y541 WeakPolarHBondContact CB-O 3.43Å; S525-Y541 PolarHBondContact N-O 3.19Å; S525-Y541 PolarHBondContact O-N 3.2Å; E527-Y541 HydrophobicContact CB-CE2 4.07Å; E527-Y541 VanDerWaalsContact CD-CE2 3.44Å; E527-Y541 HydrophobicContact CG-CD2 4.29Å; E527-Y541 HydrophobicContact CG-CE2 3.81Å; E527-Y541 WeakPolarHBondContact OE2-CE2 3.29Å; E527-Y541 VanDerWaalsContact OE2-CZ 3.3Å; E527-Y541 PolarHBondContact OE2-OH 3.34Å; N539-Y541 HydrophobicContact CB-CD2 4.32Å; N539-Y541 HydrophobicContact CB-CE2 3.53Å; Y541-P559 HydrophobicContact CD1-CB 4.32Å; Y541-P559 HydrophobicContact CG-CB 4.4Å; Y541-M560 CarbonylContact C-O 3.47Å; Y541-M560 WeakPolarHBondContact CA-O 3.38Å; Y541-M560 WeakPolarHBondContact CB-O 3.45Å; Y541-Y561 VanDerWaalsContact CD1-CA 3.42Å; Y541-Y561 HydrophobicContact CE1-CD2 4.33Å
542	A	94.9	Very high	91.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.1	164.2	0	0	0	0	0	109.5	I519 T550 L558 P559 M560 L562	I519-A542 HydrophobicContact CG2-CB 4.02Å; A542-T550 HydrophobicContact CB-CG2 3.67Å; A542-L558 HydrophobicContact CB-CD2 4.47Å; A542-L558 WeakPolarHBondContact O-CD2 3.37Å; A542-P559 CarbonylContact O-C 3.42Å; A542-P559 WeakPolarHBondContact O-CA 3.13Å; A542-M560 HydrophobicContact CB-CG 3.97Å; A542-M560 PolarHBondContact N-O 3.43Å; A542-M560 PolarHBondContact O-N 2.66Å; A542-L562 HydrophobicContact CB-CD1 3.98Å; A542-L562 HydrophobicContact CB-CD2 4.4Å; A542-L562 HydrophobicContact CB-CG 4.36Å
543	T	95.3	Very high	92.1	Very high	59 Å²	59	59.9 Å²	59.9	36%	0.362	32%	0.324	S	S	.	.			trans	-118.5	4.2	179.2	58.9	0	0	0	0	112.4	G523 Y524 P559	G523-T543 PolarHBondContact O-N 2.77Å; G523-T543 PolarHBondContact O-OG1 3.38Å; Y524-T543 WeakPolarHBondContact CA-OG1 3.36Å; Y524-T543 PolarHBondContact N-OG1 2.73Å; T543-P559 HydrophobicContact CG2-CB 4.15Å
544	S	91.7	Very high	92.4	Very high	16 Å²	16	54.3 Å²	54.3	11%	0.112	30%	0.298	C	S	.	.			trans	-134.3	142	179.1	-177.3	0	0	0	0	110.7	R546 T550 L558	S544-R546 PolarHBondContact O-N 3.34Å; S544-R546 WeakPolarHBondContact OG-CB 3.47Å; S544-R546 WeakPolarHBondContact OG-CG 3.33Å; S544-R546 PolarHBondContact OG-N 2.74Å; S544-R546 PolarHBondContact OG-NE 3.15Å; S544-R546 VanDerWaalsContact OG-NE 3.09Å; S544-T550 WeakPolarHBondContact O-CB 3.41Å; S544-T550 PolarHBondContact O-OG1 2.96Å; S544-L558 VanDerWaalsContact C-CD1 3.47Å
545	N	92.7	Very high	92.5	Very high	60 Å²	60	58 Å²	58	32%	0.321	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	6.5	173.5	61.8	4.2	0	0	0	113.7	T550 K551 Y553 L558	N545-T550 WeakPolarHBondContact CA-O 3.3Å; N545-T550 VanDerWaalsContact CA-OG1 3.29Å; N545-T550 WeakPolarHBondContact CA-OG1 3.45Å; N545-T550 WeakPolarHBondContact CB-O 3.43Å; N545-K551 WeakPolarHBondContact O-CA 3.48Å; N545-Y553 WeakPolarHBondContact CB-O 3.47Å; N545-Y553 PolarHBondContact ND2-O 3.47Å; N545-L558 HydrophobicContact CB-CD1 4.16Å
546	R	91.7	Very high	92.5	Very high	166 Å²	166	60.1 Å²	60.1	63%	0.626	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-16.8	-179.7	-65.2	-176.7	-62.7	166.9	4	113.6	V520 E521 S544	V520-R546 HydrophobicContact CG1-CB 4.11Å; V520-R546 HydrophobicContact CG2-CB 3.97Å; E521-R546 PolarHBondContact O-NH2 2.9Å; S544-R546 PolarHBondContact O-N 3.34Å; S544-R546 WeakPolarHBondContact OG-CB 3.47Å; S544-R546 WeakPolarHBondContact OG-CG 3.33Å; S544-R546 PolarHBondContact OG-N 2.74Å; S544-R546 PolarHBondContact OG-NE 3.15Å; S544-R546 VanDerWaalsContact OG-NE 3.09Å
547	A	91.8	Very high	92.5	Very high	2 Å²	2	64.3 Å²	64.3	2%	0.017	35%	0.351	C	S	.	.	S	Bend	trans	-76.9	155.4	178.6	0	0	0	0	0	110.8	G517 V520 L549 T550 K551	G517-A547 WeakPolarHBondContact O-CB 3.26Å; V520-A547 HydrophobicContact CG1-CB 4.08Å; A547-L549 PolarHBondContact O-N 3.37Å; A547-T550 WeakPolarHBondContact CB-OG1 3.44Å; A547-T550 PolarHBondContact N-OG1 3.07Å; A547-T550 CarbonylContact O-C 3.46Å; A547-T550 PolarHBondContact O-N 3.44Å; A547-T550 VanDerWaalsContact O-N 3.12Å; A547-T550 PolarHBondContact O-OG1 3.31Å; A547-K551 PolarHBondContact O-N 2.89Å
548	S	93.7	Very high	92.4	Very high	100 Å²	100	64 Å²	64	70%	0.699	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.9	-179.6	-66.4	0	0	0	0	112.4	G517	G517-S548 PolarHBondContact O-N 3.01Å; G517-S548 VanDerWaalsContact O-N 3.15Å
549	L	92.2	Very high	92.3	Very high	81 Å²	81	66.2 Å²	66.2	42%	0.424	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-31.8	177.7	-176.1	65.8	0	0	0	113.1	G517 Y518 A547 L562	G517-L549 WeakPolarHBondContact O-CB 3.03Å; G517-L549 PolarHBondContact O-N 3.25Å; Y518-L549 HydrophobicContact CD1-CB 4.5Å; Y518-L549 HydrophobicContact CD1-CD2 3.84Å; Y518-L549 HydrophobicContact CG-CD2 4.36Å; A547-L549 PolarHBondContact O-N 3.37Å; L549-L562 HydrophobicContact CD2-CD2 3.5Å; L549-L562 VanDerWaalsContact CD2-CD2 3.5Å
550	T	91.6	Very high	92.1	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	4.8	-174.4	60.2	0	0	0	0	113	A542 S544 N545 A547 G552 Y553 L558 M560	A542-T550 HydrophobicContact CB-CG2 3.67Å; S544-T550 WeakPolarHBondContact O-CB 3.41Å; S544-T550 PolarHBondContact O-OG1 2.96Å; N545-T550 WeakPolarHBondContact CA-O 3.3Å; N545-T550 VanDerWaalsContact CA-OG1 3.29Å; N545-T550 WeakPolarHBondContact CA-OG1 3.45Å; N545-T550 WeakPolarHBondContact CB-O 3.43Å; A547-T550 WeakPolarHBondContact CB-OG1 3.44Å; A547-T550 PolarHBondContact N-OG1 3.07Å; A547-T550 CarbonylContact O-C 3.46Å; A547-T550 PolarHBondContact O-N 3.44Å; A547-T550 VanDerWaalsContact O-N 3.12Å; A547-T550 PolarHBondContact O-OG1 3.31Å; T550-G552 PolarHBondContact O-N 2.86Å; T550-G552 VanDerWaalsContact O-N 3.14Å; T550-Y553 WeakPolarHBondContact O-CB 3.47Å; T550-Y553 WeakPolarHBondContact O-CD2 3.39Å; T550-Y553 PolarHBondContact O-N 3.37Å; T550-L558 HydrophobicContact CG2-CD2 4.25Å; T550-M560 HydrophobicContact CG2-CE 3.42Å; T550-M560 VanDerWaalsContact CG2-CE 3.42Å; T550-M560 HydrophobicContact CG2-CG 4.35Å; T550-M560 HydrophobicContact CG2-SD 3.68Å
551	K	90	Very high	92	Very high	176 Å²	176	69.2 Å²	69.2	77%	0.765	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	115.3	177.2	-169.5	174.7	-176.9	177.1	0	109.9	N545 A547	N545-K551 WeakPolarHBondContact O-CA 3.48Å; A547-K551 PolarHBondContact O-N 2.89Å
552	G	90.9	Very high	91.8	Very high	79 Å²	79	68.2 Å²	68.2	81%	0.814	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-7.4	-178.2	0	0	0	0	0	114.9	T550	T550-G552 PolarHBondContact O-N 2.86Å; T550-G552 VanDerWaalsContact O-N 3.14Å
553	Y	90.8	Very high	91.8	Very high	106 Å²	106	68.7 Å²	68.7	42%	0.416	38%	0.381	S	S	.	.			trans	-75.2	141.9	168.1	-71.9	-103.6	0	0	0	109.9	N545 T550 D557 M560	N545-Y553 WeakPolarHBondContact CB-O 3.47Å; N545-Y553 PolarHBondContact ND2-O 3.47Å; T550-Y553 WeakPolarHBondContact O-CB 3.47Å; T550-Y553 WeakPolarHBondContact O-CD2 3.39Å; T550-Y553 PolarHBondContact O-N 3.37Å; Y553-D557 HydrophobicContact CD1-CB 3.65Å; Y553-D557 HydrophobicContact CG-CB 4.41Å; Y553-M560 HydrophobicContact CD1-CE 3.48Å; Y553-M560 VanDerWaalsContact CD1-CE 3.48Å; Y553-M560 HydrophobicContact CD2-CE 3.89Å; Y553-M560 HydrophobicContact CE1-CE 3.5Å; Y553-M560 HydrophobicContact CE2-CE 3.89Å; Y553-M560 HydrophobicContact CG-CE 3.68Å
554	S	91.2	Very high	91.8	Very high	51 Å²	51	67.2 Å²	67.2	36%	0.357	37%	0.372	S	S	.	.			trans	-79.7	163.1	171.3	68.9	0	0	0	0	110.5	S556 D557	S554-S556 PolarHBondContact O-N 3.3Å; S554-S556 PolarHBondContact OG-OG 3.29Å; S554-D557 WeakPolarHBondContact CB-OD2 3.39Å; S554-D557 PolarHBondContact N-OD2 2.92Å; S554-D557 PolarHBondContact O-N 3.38Å; S554-D557 VanDerWaalsContact OG-CG 3.25Å; S554-D557 PolarHBondContact OG-OD2 3.4Å
555	D	86.3	Confident	92	Very high	126 Å²	126	66.4 Å²	66.4	67%	0.674	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-60.1	-27.2	175.9	-64	-21.3	0	0	0	112.1	D557 L558	D555-D557 VanDerWaalsContact C-N 3.29Å; D555-D557 PolarHBondContact O-N 2.86Å; D555-L558 PolarHBondContact O-N 2.91Å
556	S	90.8	Very high	92.1	Very high	106 Å²	106	63.7 Å²	63.7	74%	0.741	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-73.1	-15.4	174.9	46.3	0	0	0	0	114.8	S554 L558	S554-S556 PolarHBondContact O-N 3.3Å; S554-S556 PolarHBondContact OG-OG 3.29Å; S556-L558 VanDerWaalsContact C-N 3.31Å
557	D	90	Very high	92.2	Very high	88 Å²	88	55.8 Å²	55.8	47%	0.471	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-89.1	-0.5	175.8	-54.4	-58.4	0	0	0	112.7	Y553 S554 D555	Y553-D557 HydrophobicContact CD1-CB 3.65Å; Y553-D557 HydrophobicContact CG-CB 4.41Å; S554-D557 WeakPolarHBondContact CB-OD2 3.39Å; S554-D557 PolarHBondContact N-OD2 2.92Å; S554-D557 PolarHBondContact O-N 3.38Å; S554-D557 VanDerWaalsContact OG-CG 3.25Å; S554-D557 PolarHBondContact OG-OD2 3.4Å; D555-D557 VanDerWaalsContact C-N 3.29Å; D555-D557 PolarHBondContact O-N 2.86Å
558	L	91.5	Very high	92.2	Very high	24 Å²	24	58.4 Å²	58.4	13%	0.126	33%	0.333	C	S	.	.			trans	-114.7	148.9	-178.5	-62.1	168.2	0	0	0	109.5	A542 S544 N545 T550 D555 S556 M560	A542-L558 HydrophobicContact CB-CD2 4.47Å; A542-L558 WeakPolarHBondContact O-CD2 3.37Å; S544-L558 VanDerWaalsContact C-CD1 3.47Å; N545-L558 HydrophobicContact CB-CD1 4.16Å; T550-L558 HydrophobicContact CG2-CD2 4.25Å; D555-L558 PolarHBondContact O-N 2.91Å; S556-L558 VanDerWaalsContact C-N 3.31Å; L558-M560 HydrophobicContact CD2-CB 4.38Å; L558-M560 HydrophobicContact CD2-CE 3.79Å; L558-M560 HydrophobicContact CD2-CG 4.23Å
559	P	93.3	Very high	92.2	Very high	83 Å²	83	57.3 Å²	57.3	54%	0.539	32%	0.323	S	S	.	.	S	Bend	cis	-74.7	139.8	3.8	28.9	-34.1	0	0	0	114.1	Y541 A542 T543	Y541-P559 HydrophobicContact CD1-CB 4.32Å; Y541-P559 HydrophobicContact CG-CB 4.4Å; A542-P559 CarbonylContact O-C 3.42Å; A542-P559 WeakPolarHBondContact O-CA 3.13Å; T543-P559 HydrophobicContact CG2-CB 4.15Å
560	M	91.1	Very high	92.3	Very high	31 Å²	31	54.2 Å²	54.2	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.2	172	79.3	171.5	64.7	0	0	111.5	Y541 A542 T550 Y553 L558 L562	Y541-M560 CarbonylContact C-O 3.47Å; Y541-M560 WeakPolarHBondContact CA-O 3.38Å; Y541-M560 WeakPolarHBondContact CB-O 3.45Å; A542-M560 HydrophobicContact CB-CG 3.97Å; A542-M560 PolarHBondContact N-O 3.43Å; A542-M560 PolarHBondContact O-N 2.66Å; T550-M560 HydrophobicContact CG2-CE 3.42Å; T550-M560 VanDerWaalsContact CG2-CE 3.42Å; T550-M560 HydrophobicContact CG2-CG 4.35Å; T550-M560 HydrophobicContact CG2-SD 3.68Å; Y553-M560 HydrophobicContact CD1-CE 3.48Å; Y553-M560 VanDerWaalsContact CD1-CE 3.48Å; Y553-M560 HydrophobicContact CD2-CE 3.89Å; Y553-M560 HydrophobicContact CE1-CE 3.5Å; Y553-M560 HydrophobicContact CE2-CE 3.89Å; Y553-M560 HydrophobicContact CG-CE 3.68Å; L558-M560 HydrophobicContact CD2-CB 4.38Å; L558-M560 HydrophobicContact CD2-CE 3.79Å; L558-M560 HydrophobicContact CD2-CG 4.23Å; M560-L562 HydrophobicContact CG-CD2 4.01Å; M560-L562 HydrophobicContact SD-CD2 4.13Å
561	Y	94.1	Very high	92.3	Very high	59 Å²	59	61 Å²	61	23%	0.231	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	137.7	173.8	168.7	-90.2	0	0	0	110.9	N539 Y541 V563 T564 K573 N575	N539-Y561 HydrophobicContact CB-CD2 4.02Å; N539-Y561 HydrophobicContact CB-CE2 3.95Å; N539-Y561 WeakPolarHBondContact OD1-CE2 3.49Å; Y541-Y561 VanDerWaalsContact CD1-CA 3.42Å; Y541-Y561 HydrophobicContact CE1-CD2 4.33Å; Y561-V563 VanDerWaalsContact OH-C 3.26Å; Y561-T564 PolarHBondContact OH-N 2.87Å; Y561-T564 PolarHBondContact OH-OG1 2.87Å; Y561-K573 PolarHBondContact OH-O 3.44Å; Y561-N575 WeakPolarHBondContact CD1-ND2 3.37Å; Y561-N575 HydrophobicContact CE1-CB 4.07Å; Y561-N575 WeakPolarHBondContact CE1-ND2 3.21Å
562	L	93.2	Very high	92.4	Very high	20 Å²	20	54.9 Å²	54.9	11%	0.105	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-63.5	178.5	-60.5	177.9	0	0	0	112.1	I519 L540 A542 L549 M560 G574	I519-L562 HydrophobicContact CG2-CD1 3.38Å; L540-L562 HydrophobicContact CD2-CD1 4.1Å; L540-L562 HydrophobicContact CG-CD1 4.15Å; L540-L562 WeakPolarHBondContact O-CB 3.39Å; L540-L562 PolarHBondContact O-N 3.43Å; A542-L562 HydrophobicContact CB-CD1 3.98Å; A542-L562 HydrophobicContact CB-CD2 4.4Å; A542-L562 HydrophobicContact CB-CG 4.36Å; L549-L562 HydrophobicContact CD2-CD2 3.5Å; L549-L562 VanDerWaalsContact CD2-CD2 3.5Å; M560-L562 HydrophobicContact CG-CD2 4.01Å; M560-L562 HydrophobicContact SD-CD2 4.13Å; L562-G574 WeakPolarHBondContact O-CA 3.39Å
563	V	94.5	Very high	92.4	Very high	9 Å²	9	56 Å²	56	6%	0.055	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.9	-171.7	-63	0	0	0	0	111.1	N539 L540 Y561 I565 F572 K573	N539-V563 WeakPolarHBondContact CA-O 3.3Å; L540-V563 HydrophobicContact CB-CG2 3.89Å; L540-V563 HydrophobicContact CD2-CG2 3.95Å; L540-V563 PolarHBondContact N-O 3.47Å; Y561-V563 VanDerWaalsContact OH-C 3.26Å; V563-I565 HydrophobicContact CG2-CD1 4.24Å; V563-I565 HydrophobicContact CG2-CG1 3.88Å; V563-F572 HydrophobicContact CB-CB 4.33Å; V563-F572 HydrophobicContact CB-CD2 4.18Å; V563-F572 HydrophobicContact CG1-CD2 3.94Å; V563-F572 HydrophobicContact CG2-CB 4.23Å; V563-F572 HydrophobicContact CG2-CD2 4.21Å; V563-F572 HydrophobicContact CG2-CG 4.46Å; V563-K573 CarbonylContact C-O 3.56Å; V563-K573 WeakPolarHBondContact CA-O 3.45Å
564	T	94.9	Very high	92.1	Very high	28 Å²	28	52 Å²	52	17%	0.172	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.7	166.5	-54	0	0	0	0	108.7	Y537 Y538 N539 Y561 F572 K573	Y537-T564 HydrophobicContact CD1-CG2 4.02Å; Y537-T564 HydrophobicContact CG-CG2 4.45Å; Y538-T564 CarbonylContact O-C 3.56Å; Y538-T564 VanDerWaalsContact O-CA 3.29Å; Y538-T564 WeakPolarHBondContact O-CA 3.49Å; N539-T564 PolarHBondContact OD1-OG1 3.5Å; Y561-T564 PolarHBondContact OH-N 2.87Å; Y561-T564 PolarHBondContact OH-OG1 2.87Å; T564-F572 CarbonylContact O-C 3.6Å; T564-F572 WeakPolarHBondContact O-CA 2.94Å; T564-K573 PolarHBondContact N-O 3.29Å; T564-K573 PolarHBondContact O-N 3.35Å
565	I	95.9	Very high	91.3	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.2	-170.3	-53.4	160.6	0	0	0	109.2	W501 V509 L526 Y537 Y538 L540 V563 W571 F572	W501-I565 HydrophobicContact CH2-CB 4.24Å; W501-I565 HydrophobicContact CH2-CD1 4.29Å; W501-I565 HydrophobicContact CH2-CG2 3.68Å; W501-I565 HydrophobicContact CZ3-CG2 3.86Å; V509-I565 HydrophobicContact CB-CG2 4.45Å; V509-I565 HydrophobicContact CG1-CD1 3.59Å; V509-I565 HydrophobicContact CG1-CG1 3.94Å; V509-I565 HydrophobicContact CG1-CG2 3.97Å; V509-I565 HydrophobicContact CG2-CG2 4.05Å; L526-I565 HydrophobicContact CD2-CD1 3.8Å; Y537-I565 CarbonylContact C-O 3.57Å; Y537-I565 WeakPolarHBondContact CA-O 3.34Å; Y538-I565 PolarHBondContact N-O 2.9Å; Y538-I565 PolarHBondContact O-N 3.15Å; L540-I565 HydrophobicContact CB-CD1 3.79Å; L540-I565 HydrophobicContact CD2-CD1 4.34Å; V563-I565 HydrophobicContact CG2-CD1 4.24Å; V563-I565 HydrophobicContact CG2-CG1 3.88Å; I565-W571 CarbonylContact C-O 3.54Å; I565-W571 WeakPolarHBondContact CA-O 3.34Å; I565-F572 HydrophobicContact CB-CB 4.22Å; I565-F572 HydrophobicContact CG1-CB 3.76Å; I565-F572 HydrophobicContact CG2-CB 4.39Å
566	N	94.4	Very high	90.2	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.9	167.3	-180	-48	0	0	0	109.8	E535 Y537 K568 T569 G570 W571	E535-N566 PolarHBondContact OE2-ND2 2.81Å; Y537-N566 HydrophobicContact CD1-CB 4.07Å; Y537-N566 HydrophobicContact CE1-CB 3.68Å; Y537-N566 PolarHBondContact OH-ND2 3.33Å; N566-K568 VanDerWaalsContact C-N 3.26Å; N566-K568 PolarHBondContact O-N 3.31Å; N566-K568 PolarHBondContact OD1-N 3.45Å; N566-T569 WeakPolarHBondContact CB-OG1 3.29Å; N566-T569 PolarHBondContact OD1-N 2.97Å; N566-T569 PolarHBondContact OD1-OG1 2.75Å; N566-G570 WeakPolarHBondContact O-CA 3.15Å; N566-G570 PolarHBondContact O-N 3.22Å; N566-W571 HydrophobicContact CB-CB 4.5Å; N566-W571 PolarHBondContact N-O 2.76Å
567	C	94.3	Very high	88.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.1	-173.2	71	0	0	0	0	114.3	A498 W501 A502 G536 Y538	A498-C567 PolarHBondContact O-SG 3.48Å; W501-C567 WeakPolarHBondContact CA-O 3.24Å; W501-C567 HydrophobicContact CD2-CB 3.69Å; W501-C567 HydrophobicContact CE3-CB 3.91Å; W501-C567 HydrophobicContact CG-CB 4.03Å; W501-C567 HydrophobicContact CZ2-CB 4.38Å; W501-C567 HydrophobicContact CZ3-CB 4.37Å; A502-C567 PolarHBondContact N-O 3.03Å; G536-C567 PolarHBondContact O-N 3.41Å; G536-C567 PolarHBondContact O-SG 2.88Å; Y538-C567 HydrophobicContact CD2-CB 3.85Å; Y538-C567 HydrophobicContact CE2-CB 3.76Å
568	K	92.3	Very high	86	Confident	56 Å²	56	59.6 Å²	59.6	24%	0.243	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-39.8	178.9	-58.6	-58.6	-174.8	179.9	0	112.1	D497 A498 A500 A502 E535 N566	D497-K568 WeakPolarHBondContact O-CE 3.39Å; D497-K568 PolarHBondContact O-NZ 3.13Å; A498-K568 WeakPolarHBondContact O-CE 3.25Å; A500-K568 WeakPolarHBondContact O-CD 3.43Å; A500-K568 VanDerWaalsContact O-CE 3.27Å; A500-K568 WeakPolarHBondContact O-CE 3.23Å; A500-K568 PolarHBondContact O-NZ 3.03Å; A502-K568 WeakPolarHBondContact CB-O 3.27Å; E535-K568 HydrophobicContact CB-CB 4.32Å; E535-K568 HydrophobicContact CB-CG 3.88Å; E535-K568 HydrophobicContact CG-CB 4.14Å; E535-K568 HydrophobicContact CG-CG 3.89Å; N566-K568 VanDerWaalsContact C-N 3.26Å; N566-K568 PolarHBondContact O-N 3.31Å; N566-K568 PolarHBondContact OD1-N 3.45Å
569	T	93.5	Very high	85.8	Confident	78 Å²	78	61.4 Å²	61.4	48%	0.479	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-22.2	-174.3	63	0	0	0	0	113.9	N566 W571	N566-T569 WeakPolarHBondContact CB-OG1 3.29Å; N566-T569 PolarHBondContact OD1-N 2.97Å; N566-T569 PolarHBondContact OD1-OG1 2.75Å; T569-W571 PolarHBondContact O-N 2.86Å; T569-W571 WeakPolarHBondContact OG1-CB 3.21Å; T569-W571 PolarHBondContact OG1-N 3.4Å
570	G	92.9	Very high	85.4	Confident	16 Å²	16	60.2 Å²	60.2	17%	0.165	33%	0.331	C	S	.	.			trans	73.7	6	-171.2	0	0	0	0	0	113.9	V505 V509 N566 F572	V505-G570 VanDerWaalsContact CG1-N 3.29Å; V509-G570 WeakPolarHBondContact CG2-O 3.26Å; N566-G570 WeakPolarHBondContact O-CA 3.15Å; N566-G570 PolarHBondContact O-N 3.22Å; G570-F572 WeakPolarHBondContact O-CD1 3.44Å
571	W	92.1	Very high	85	Confident	143 Å²	143	61.8 Å²	61.8	54%	0.542	34%	0.34	S	S	.	.			trans	-65.4	136.4	171.6	-176.7	91.3	0	0	0	109.6	I565 N566 T569 K573	I565-W571 CarbonylContact C-O 3.54Å; I565-W571 WeakPolarHBondContact CA-O 3.34Å; N566-W571 HydrophobicContact CB-CB 4.5Å; N566-W571 PolarHBondContact N-O 2.76Å; T569-W571 PolarHBondContact O-N 2.86Å; T569-W571 WeakPolarHBondContact OG1-CB 3.21Å; T569-W571 PolarHBondContact OG1-N 3.4Å; W571-K573 HydrophobicContact CH2-CB 3.33Å; W571-K573 HydrophobicContact CH2-CD 3.78Å; W571-K573 HydrophobicContact CH2-CG 4.14Å; W571-K573 HydrophobicContact CZ2-CB 3.92Å; W571-K573 HydrophobicContact CZ2-CD 4.36Å; W571-K573 HydrophobicContact CZ3-CB 3.69Å
572	F	92.7	Very high	84.5	Confident	47 Å²	47	62 Å²	62	21%	0.206	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.7	178.2	63.4	-95.1	0	0	0	112.2	V509 T512 V563 T564 I565 G570	V509-F572 HydrophobicContact CG1-CD1 4.02Å; V509-F572 HydrophobicContact CG1-CE1 4.48Å; V509-F572 HydrophobicContact CG2-CD1 4.42Å; T512-F572 HydrophobicContact CG2-CE1 4.23Å; T512-F572 HydrophobicContact CG2-CZ 4Å; V563-F572 HydrophobicContact CB-CB 4.33Å; V563-F572 HydrophobicContact CB-CD2 4.18Å; V563-F572 HydrophobicContact CG1-CD2 3.94Å; V563-F572 HydrophobicContact CG2-CB 4.23Å; V563-F572 HydrophobicContact CG2-CD2 4.21Å; V563-F572 HydrophobicContact CG2-CG 4.46Å; T564-F572 CarbonylContact O-C 3.6Å; T564-F572 WeakPolarHBondContact O-CA 2.94Å; I565-F572 HydrophobicContact CB-CB 4.22Å; I565-F572 HydrophobicContact CG1-CB 3.76Å; I565-F572 HydrophobicContact CG2-CB 4.39Å; G570-F572 WeakPolarHBondContact O-CD1 3.44Å
573	K	90	Very high	84	Confident	102 Å²	102	64.6 Å²	64.6	44%	0.443	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136.4	179.8	174.8	177.5	179.5	-170	0	110.4	Y561 V563 T564 W571	Y561-K573 PolarHBondContact OH-O 3.44Å; V563-K573 CarbonylContact C-O 3.56Å; V563-K573 WeakPolarHBondContact CA-O 3.45Å; T564-K573 PolarHBondContact N-O 3.29Å; T564-K573 PolarHBondContact O-N 3.35Å; W571-K573 HydrophobicContact CH2-CB 3.33Å; W571-K573 HydrophobicContact CH2-CD 3.78Å; W571-K573 HydrophobicContact CH2-CG 4.14Å; W571-K573 HydrophobicContact CZ2-CB 3.92Å; W571-K573 HydrophobicContact CZ2-CD 4.36Å; W571-K573 HydrophobicContact CZ3-CB 3.69Å
574	G	85.9	Confident	83.3	Confident	23 Å²	23	68.3 Å²	68.3	24%	0.237	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	176.6	170.7	0	0	0	0	0	112.7	L562 G576	L562-G574 WeakPolarHBondContact O-CA 3.39Å; G574-G576 VanDerWaalsContact C-N 3.27Å; G574-G576 PolarHBondContact O-N 3.32Å
575	N	74.5	Confident	82.4	Confident	135 Å²	135	71.2 Å²	71.2	72%	0.722	40%	0.398	S	S	*	.	S	Bend	trans	-83.1	8.1	-178.9	-75.9	-14.9	0	0	0	114.7	Y561	Y561-N575 WeakPolarHBondContact CD1-ND2 3.37Å; Y561-N575 HydrophobicContact CE1-CB 4.07Å; Y561-N575 WeakPolarHBondContact CE1-ND2 3.21Å
576	G	62.5	Low	81.4	Confident	51 Å²	51	76.7 Å²	76.7	53%	0.526	43%	0.428	S	S	.	.	S	Bend	trans	-70.8	146.8	177.2	0	0	0	0	0	112.7	G574	G574-G576 VanDerWaalsContact C-N 3.27Å; G574-G576 PolarHBondContact O-N 3.32Å
577	P	51.3	Low	80.3	Confident	133 Å²	133	82.8 Å²	82.8	86%	0.864	46%	0.462	S	S	*	.			trans	-63.1	135	167.5	26.9	-31.1	0	0	0	109.6
578	N	41.9	Very low	79	Confident	210 Å²	210	90.4 Å²	90.4	100%	1.123	51%	0.505	S	S	*	.			trans	-66.3	0	175.9	-78.2	-19.5	0	0	0	112.3

Retrieved 578 of 578 residues in 434.9 ms (Link to these results)

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