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Ran-binding protein 9

May act as scaffolding protein, and as adapter protein to couple membrane receptors to intracellular signaling pathways. Acts as a mediator of cell spreading and actin cytoskeleton rearrangement. Core component of the CTLH E3 ubiquitin-protein ligase complex that mediates ubiquitination and subsequent proteasomal degradation of target proteins.

AlphaFold DB , UniProt , Accession A1L252, Species DANRE (Danio rerio, Zebrafish), Gene ranbp9, Length 597 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	35	Very low	250 Å²	250	132.4 Å²	132.4	100%	1.232	86%	0.861	S	S	*	*				0	155.5	0	-66.4	176.4	79.1	0	0	108.2
2	S	37.2	Very low	34.8	Very low	130 Å²	130	133.5 Å²	133.5	91%	0.909	85%	0.849	S	S	*	*			trans	-95.5	153.4	-153.6	29.9	0	0	0	0	115.6
3	G	32.4	Very low	34.5	Very low	73 Å²	73	130.5 Å²	130.5	75%	0.753	84%	0.835	S	S	*	*			trans	154.7	93.7	164.8	0	0	0	0	0	114.1
4	P	41.8	Very low	34.4	Very low	131 Å²	131	130.5 Å²	130.5	85%	0.851	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-85.3	150.5	174.4	34.3	-32.7	0	0	0	112.2
5	S	36	Very low	34.8	Very low	120 Å²	120	129.2 Å²	129.2	84%	0.839	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.1	138	-177.1	54.7	0	0	0	0	113.6	G7	S5-G7 PolarHBondContact O-N 3.19Å
6	S	40.2	Very low	35.5	Very low	118 Å²	118	126.1 Å²	126.1	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.9	118.5	170	-177.4	0	0	0	0	111.3
7	G	33.8	Very low	35.8	Very low	74 Å²	74	128.4 Å²	128.4	76%	0.763	80%	0.797	S	S	*	*			trans	-93	109.7	165	0	0	0	0	0	109.9	S5 G9	S5-G7 PolarHBondContact O-N 3.19Å; G7-G9 PolarHBondContact O-N 3.01Å
8	C	32.8	Very low	36.3	Very low	130 Å²	130	123.7 Å²	123.7	88%	0.878	78%	0.778	S	S	*	*			trans	-81.8	98	176.4	-156.7	0	0	0	0	109.6
9	G	33.6	Very low	37.3	Very low	64 Å²	64	122.8 Å²	122.8	66%	0.66	77%	0.768	S	S	*	*			trans	-80.1	134.6	178.4	0	0	0	0	0	112.6	G7 L11	G7-G9 PolarHBondContact O-N 3.01Å; G9-L11 PolarHBondContact O-N 2.89Å
10	F	28.5	Very low	38.5	Very low	188 Å²	188	121.9 Å²	121.9	83%	0.825	76%	0.756	S	S	*	*			trans	-53.5	120.7	169.3	-99.8	-117.1	0	0	0	111.4	M12	F10-M12 HydrophobicContact CD1-CE 4.31Å; F10-M12 HydrophobicContact CD1-CG 4.02Å; F10-M12 HydrophobicContact CE1-CE 4.34Å
11	L	33.9	Very low	39.7	Very low	178 Å²	178	119.1 Å²	119.1	93%	0.932	75%	0.746	S	S	*	*			trans	-99.6	97.1	154.4	-85.3	169.4	0	0	0	108	G9	G9-L11 PolarHBondContact O-N 2.89Å
12	M	32.2	Very low	41.1	Very low	146 Å²	146	111.3 Å²	111.3	72%	0.719	71%	0.708	S	S	*	*			trans	-68.3	146.7	174.2	-86.3	-163.6	165.9	0	0	111.9	F10 V14	F10-M12 HydrophobicContact CD1-CE 4.31Å; F10-M12 HydrophobicContact CD1-CG 4.02Å; F10-M12 HydrophobicContact CE1-CE 4.34Å; M12-V14 PolarHBondContact O-N 2.95Å
13	S	31.3	Very low	43.1	Very low	95 Å²	95	109.7 Å²	109.7	66%	0.664	69%	0.689	S	S	*	*			trans	-48.2	110.6	165.9	178.2	0	0	0	0	113.1
14	V	32.6	Very low	45.7	Very low	130 Å²	130	110.7 Å²	110.7	79%	0.788	68%	0.675	S	S	*	*			trans	-138.2	27.5	168.9	-162.1	0	0	0	0	111.6	M12	M12-V14 PolarHBondContact O-N 2.95Å
15	V	40.2	Very low	47.8	Very low	111 Å²	111	107.8 Å²	107.8	67%	0.673	65%	0.65	S	S	*	*	S	Bend	trans	-127.8	10.3	-178.2	-157.9	0	0	0	0	113.4
16	V	45.8	Very low	50.4	Low	80 Å²	80	107.2 Å²	107.2	49%	0.485	63%	0.634	S	S	.	*	H	α-helix	trans	-94	-29.3	-178.6	-173.3	0	0	0	0	113.1	L20	V16-L20 HydrophobicContact CG1-CD1 4.09Å; V16-L20 WeakPolarHBondContact O-CG 3.48Å
17	H	40.8	Very low	52.8	Low	164 Å²	164	106.8 Å²	106.8	76%	0.759	62%	0.617	S	S	*	*	H	α-helix	trans	-78.7	-28.3	-175.3	-76.2	79.7	0	0	0	114	A21	H17-A21 PolarHBondContact O-N 2.82Å
18	G	44.9	Very low	55.7	Low	44 Å²	44	107.6 Å²	107.6	45%	0.454	60%	0.601	S	S	.	*	H	α-helix	trans	-68.2	-48.8	178.9	0	0	0	0	0	112.4	L20 A21 L22	G18-L20 PolarHBondContact O-N 2.61Å; G18-A21 PolarHBondContact O-N 2.85Å; G18-L22 WeakPolarHBondContact O-CG 3.43Å; G18-L22 PolarHBondContact O-N 2.75Å; G18-L22 VanDerWaalsContact O-N 3.08Å
19	D	56.3	Low	58.7	Low	108 Å²	108	102 Å²	102	58%	0.578	56%	0.562	S	S	*	*	H	α-helix	trans	-65.8	-38	-178.3	-69.1	-10	0	0	0	112.1	N23	D19-N23 WeakPolarHBondContact O-CB 3.36Å; D19-N23 PolarHBondContact O-N 2.93Å
20	L	60.1	Low	61.6	Low	104 Å²	104	101.2 Å²	101.2	55%	0.545	54%	0.543	S	S	.	.	H	α-helix	trans	-63.4	-44.1	176.1	-72.8	172.1	0	0	0	112.4	V16 G18 N23 E24	V16-L20 HydrophobicContact CG1-CD1 4.09Å; V16-L20 WeakPolarHBondContact O-CG 3.48Å; G18-L20 PolarHBondContact O-N 2.61Å; L20-N23 PolarHBondContact O-N 3.24Å; L20-E24 PolarHBondContact O-N 2.78Å
21	A	64.3	Low	64.9	Low	64 Å²	64	98.9 Å²	98.9	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-68.2	-39.6	179.8	0	0	0	0	0	112.4	H17 G18 Q25	H17-A21 PolarHBondContact O-N 2.82Å; G18-A21 PolarHBondContact O-N 2.85Å; A21-Q25 PolarHBondContact O-N 3.35Å; A21-Q25 VanDerWaalsContact O-N 3.11Å
22	L	65.1	Low	67.9	Low	86 Å²	86	92 Å²	92	45%	0.45	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-41.7	173.7	-71.9	170.9	0	0	0	111.6	G18 Q25 E26	G18-L22 WeakPolarHBondContact O-CG 3.43Å; G18-L22 PolarHBondContact O-N 2.75Å; G18-L22 VanDerWaalsContact O-N 3.08Å; L22-Q25 PolarHBondContact O-N 2.7Å; L22-E26 WeakPolarHBondContact O-CB 3.26Å; L22-E26 PolarHBondContact O-N 3.22Å
23	N	77.7	Confident	71	Confident	95 Å²	95	85.2 Å²	85.2	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-38.9	179.5	-167.3	23.2	0	0	0	112.4	D19 L20 E26 K27	D19-N23 WeakPolarHBondContact O-CB 3.36Å; D19-N23 PolarHBondContact O-N 2.93Å; L20-N23 PolarHBondContact O-N 3.24Å; N23-E26 PolarHBondContact O-N 2.92Å; N23-K27 WeakPolarHBondContact O-CB 3.43Å; N23-K27 PolarHBondContact O-N 3.26Å
24	E	87.1	Confident	74.1	Confident	95 Å²	95	89.6 Å²	89.6	44%	0.444	47%	0.465	S	S	.	.	H	α-helix	trans	-67.5	-39.9	172.6	-75.6	-61.9	147.5	0	0	112.4	L20 E26 K27 E28	L20-E24 PolarHBondContact O-N 2.78Å; E24-E26 VanDerWaalsContact C-N 3.33Å; E24-E26 PolarHBondContact O-N 3.23Å; E24-K27 PolarHBondContact O-N 3.15Å; E24-K27 IonicContact OE1-NZ 3.58Å; E24-K27 PolarHBondContact OE1-NZ 3.39Å; E24-K27 IonicContact OE2-NZ 3.39Å; E24-K27 PolarHBondContact OE2-NZ 3.43Å; E24-E28 PolarHBondContact O-N 3.16Å
25	Q	86	Confident	77.1	Confident	70 Å²	70	90.5 Å²	90.5	33%	0.327	45%	0.454	S	S	.	.	H	α-helix	trans	-64.5	-37.7	175.1	-168.4	176.7	19.2	0	0	112.1	A21 L22 L29 H214	A21-Q25 PolarHBondContact O-N 3.35Å; A21-Q25 VanDerWaalsContact O-N 3.11Å; L22-Q25 PolarHBondContact O-N 2.7Å; Q25-L29 WeakPolarHBondContact O-CB 3.49Å; Q25-L29 PolarHBondContact O-N 2.72Å; Q25-H214 PolarHBondContact NE2-CE1 2.92Å
26	E	90.2	Very high	79.8	Confident	107 Å²	107	85.3 Å²	85.3	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-68.1	-38.4	173.8	177.9	161.9	-155.6	0	0	112.1	L22 N23 E24 L29 N30	L22-E26 WeakPolarHBondContact O-CB 3.26Å; L22-E26 PolarHBondContact O-N 3.22Å; N23-E26 PolarHBondContact O-N 2.92Å; E24-E26 VanDerWaalsContact C-N 3.33Å; E24-E26 PolarHBondContact O-N 3.23Å; E26-L29 PolarHBondContact O-N 3.16Å; E26-N30 WeakPolarHBondContact CG-ND2 3.45Å; E26-N30 WeakPolarHBondContact O-CB 3.49Å; E26-N30 PolarHBondContact O-N 3.41Å; E26-N30 PolarHBondContact O-ND2 3.05Å
27	K	92.1	Very high	82.3	Confident	109 Å²	109	81.7 Å²	81.7	47%	0.474	40%	0.4	S	S	.	.	H	α-helix	trans	-64.7	-43.8	175.1	177.7	175.4	156.4	-134.1	0	112.2	N23 E24 N30 Q31	N23-K27 WeakPolarHBondContact O-CB 3.43Å; N23-K27 PolarHBondContact O-N 3.26Å; E24-K27 PolarHBondContact O-N 3.15Å; E24-K27 IonicContact OE1-NZ 3.58Å; E24-K27 PolarHBondContact OE1-NZ 3.39Å; E24-K27 IonicContact OE2-NZ 3.39Å; E24-K27 PolarHBondContact OE2-NZ 3.43Å; K27-N30 PolarHBondContact O-N 2.81Å; K27-Q31 WeakPolarHBondContact O-CB 3.43Å; K27-Q31 PolarHBondContact O-N 3.42Å
28	E	94.3	Very high	84.8	Confident	91 Å²	91	78.1 Å²	78.1	43%	0.425	39%	0.391	S	S	.	.	H	α-helix	trans	-59.9	-47.1	171.6	-85.3	-160.9	-151.4	0	0	112.3	E24 N30 Q31 R32	E24-E28 PolarHBondContact O-N 3.16Å; E28-N30 PolarHBondContact O-N 3.44Å; E28-Q31 PolarHBondContact O-N 3.45Å; E28-R32 WeakPolarHBondContact O-CB 3.27Å; E28-R32 PolarHBondContact O-N 2.93Å; E28-R32 IonicContact OE2-CZ 2.87Å; E28-R32 IonicContact OE2-NH1 2.74Å; E28-R32 IonicContact OE2-NH2 3.89Å; E28-R32 PolarHBondContact OE2-NH2 2.95Å
29	L	95.3	Very high	87.1	Confident	14 Å²	14	78.3 Å²	78.3	7%	0.073	39%	0.389	C	S	.	.	H	α-helix	trans	-56.3	-50.4	175.4	172.9	66.2	0	0	0	110.6	Q25 E26 Q31 R32 L33 R49 G212 Q213	Q25-L29 WeakPolarHBondContact O-CB 3.49Å; Q25-L29 PolarHBondContact O-N 2.72Å; E26-L29 PolarHBondContact O-N 3.16Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.35Å; L29-R32 PolarHBondContact O-N 3.41Å; L29-L33 HydrophobicContact CD1-CD1 3.74Å; L29-L33 HydrophobicContact CD1-CD2 4.33Å; L29-L33 HydrophobicContact CD1-CG 3.83Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 HydrophobicContact CG-CG 4.32Å; L29-L33 WeakPolarHBondContact O-CB 3.2Å; L29-L33 VanDerWaalsContact O-CG 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.37Å; L29-L33 PolarHBondContact O-N 2.99Å; L29-R49 HydrophobicContact CD2-CG 4.44Å; L29-G212 VanDerWaalsContact CD1-C 3.42Å; L29-G212 WeakPolarHBondContact CD1-O 3.28Å; L29-Q213 HydrophobicContact CD1-CG 4.15Å; L29-Q213 HydrophobicContact CD2-CG 4.35Å
30	N	95.7	Very high	89	Confident	46 Å²	46	74 Å²	74	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-59.4	-41.3	179	-76.2	-41.4	0	0	0	112.3	E26 K27 E28 R34 R49	E26-N30 WeakPolarHBondContact CG-ND2 3.45Å; E26-N30 WeakPolarHBondContact O-CB 3.49Å; E26-N30 PolarHBondContact O-N 3.41Å; E26-N30 PolarHBondContact O-ND2 3.05Å; K27-N30 PolarHBondContact O-N 2.81Å; E28-N30 PolarHBondContact O-N 3.44Å; N30-R34 WeakPolarHBondContact O-CB 3.41Å; N30-R34 VanDerWaalsContact O-CG 3.29Å; N30-R34 WeakPolarHBondContact O-CG 3.38Å; N30-R34 PolarHBondContact O-N 3.3Å; N30-R34 VanDerWaalsContact O-N 3.13Å; N30-R49 VanDerWaalsContact OD1-CZ 3.28Å; N30-R49 PolarHBondContact OD1-NH1 3.33Å; N30-R49 PolarHBondContact OD1-NH2 3.11Å
31	Q	96.4	Very high	90.6	Very high	140 Å²	140	72.3 Å²	72.3	65%	0.654	36%	0.358	S	S	*	.	H	α-helix	trans	-66.7	-43.9	176.7	-171.4	177.5	10.3	0	0	111.8	K27 E28 L29 R34 R35	K27-Q31 WeakPolarHBondContact O-CB 3.43Å; K27-Q31 PolarHBondContact O-N 3.42Å; E28-Q31 PolarHBondContact O-N 3.45Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.35Å; Q31-R34 PolarHBondContact O-N 2.9Å; Q31-R35 WeakPolarHBondContact O-CB 3.4Å; Q31-R35 PolarHBondContact O-N 3.23Å; Q31-R35 VanDerWaalsContact O-N 3.09Å
32	R	97.2	Very high	92	Very high	34 Å²	34	71.7 Å²	71.7	13%	0.128	34%	0.344	C	S	.	.	H	α-helix	trans	-67.3	-43.3	-179.3	-162	171.1	-60.4	104.6	-1.1	111.8	E28 L29 R35 L36 G212 Q213	E28-R32 WeakPolarHBondContact O-CB 3.27Å; E28-R32 PolarHBondContact O-N 2.93Å; E28-R32 IonicContact OE2-CZ 2.87Å; E28-R32 IonicContact OE2-NH1 2.74Å; E28-R32 IonicContact OE2-NH2 3.89Å; E28-R32 PolarHBondContact OE2-NH2 2.95Å; L29-R32 PolarHBondContact O-N 3.41Å; R32-R35 PolarHBondContact O-N 3.22Å; R32-L36 HydrophobicContact CG-CD1 4.16Å; R32-L36 WeakPolarHBondContact O-CG 3.42Å; R32-L36 PolarHBondContact O-N 3.29Å; R32-G212 WeakPolarHBondContact CD-O 3.39Å; R32-G212 PolarHBondContact NH1-O 3.21Å; R32-Q213 PolarHBondContact NH1-O 2.66Å
33	L	97.7	Very high	93.4	Very high	2 Å²	2	76.5 Å²	76.5	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-43.3	175.6	-68.4	-178.7	0	0	0	112.2	L29 R35 L36 Y37 L47 R49 F211	L29-L33 HydrophobicContact CD1-CD1 3.74Å; L29-L33 HydrophobicContact CD1-CD2 4.33Å; L29-L33 HydrophobicContact CD1-CG 3.83Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 HydrophobicContact CG-CG 4.32Å; L29-L33 WeakPolarHBondContact O-CB 3.2Å; L29-L33 VanDerWaalsContact O-CG 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.37Å; L29-L33 PolarHBondContact O-N 2.99Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 3.32Å; L33-L36 PolarHBondContact O-N 3.47Å; L33-Y37 HydrophobicContact CD2-CD2 3.98Å; L33-Y37 HydrophobicContact CD2-CE2 3.75Å; L33-Y37 WeakPolarHBondContact O-CB 3.44Å; L33-Y37 PolarHBondContact O-N 2.92Å; L33-L47 HydrophobicContact CB-CD1 4.03Å; L33-L47 HydrophobicContact CD1-CD1 4.05Å; L33-L47 HydrophobicContact CD2-CD1 4.19Å; L33-L47 HydrophobicContact CG-CD1 4.31Å; L33-R49 HydrophobicContact CD1-CG 4.11Å; L33-F211 WeakPolarHBondContact CD2-O 3.21Å
34	R	96.2	Very high	94.2	Very high	187 Å²	187	77 Å²	77	71%	0.706	36%	0.364	S	S	*	.	H	α-helix	trans	-63.1	-33	175.1	-75.2	177.4	-178.4	-174.9	1.4	113.3	N30 Q31 P38	N30-R34 WeakPolarHBondContact O-CB 3.41Å; N30-R34 VanDerWaalsContact O-CG 3.29Å; N30-R34 WeakPolarHBondContact O-CG 3.38Å; N30-R34 PolarHBondContact O-N 3.3Å; N30-R34 VanDerWaalsContact O-N 3.13Å; Q31-R34 PolarHBondContact O-N 2.9Å; R34-P38 WeakPolarHBondContact O-CA 3.32Å; R34-P38 WeakPolarHBondContact O-CB 3.44Å
35	R	96	Very high	94.6	Very high	149 Å²	149	75.3 Å²	75.3	56%	0.562	36%	0.359	S	S	*	.	H	α-helix	trans	-73.7	-39.2	178.5	-167.8	176.7	74.9	179.4	8.6	112.6	Q31 R32 L33 E221	Q31-R35 WeakPolarHBondContact O-CB 3.4Å; Q31-R35 PolarHBondContact O-N 3.23Å; Q31-R35 VanDerWaalsContact O-N 3.09Å; R32-R35 PolarHBondContact O-N 3.22Å; L33-R35 VanDerWaalsContact C-N 3.29Å; L33-R35 PolarHBondContact O-N 3.32Å; R35-E221 IonicContact CZ-OE1 2.78Å; R35-E221 IonicContact CZ-OE2 3.52Å; R35-E221 IonicContact NE-OE1 3.49Å; R35-E221 PolarHBondContact NE-OE1 2.82Å; R35-E221 IonicContact NE-OE2 2.71Å; R35-E221 IonicContact NH2-OE1 3.43Å; R35-E221 PolarHBondContact NH2-OE1 2.87Å; R35-E221 IonicContact NH2-OE2 3.54Å; R35-E221 PolarHBondContact NH2-OE2 3.31Å
36	L	97.2	Very high	95.1	Very high	3 Å²	3	74.2 Å²	74.2	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-75.9	-44	178.4	-68.1	169.1	0	0	0	112	R32 L33 P38 F216 I220 E221 M224	R32-L36 HydrophobicContact CG-CD1 4.16Å; R32-L36 WeakPolarHBondContact O-CG 3.42Å; R32-L36 PolarHBondContact O-N 3.29Å; L33-L36 PolarHBondContact O-N 3.47Å; L36-P38 VanDerWaalsContact O-CD 3.3Å; L36-P38 WeakPolarHBondContact O-CD 3.37Å; L36-F216 HydrophobicContact CD1-CE2 3.8Å; L36-I220 HydrophobicContact CD2-CG2 3.86Å; L36-E221 HydrophobicContact CD2-CG 3.73Å; L36-M224 HydrophobicContact CB-CE 4.38Å; L36-M224 HydrophobicContact CD2-CE 4.22Å; L36-M224 HydrophobicContact CD2-SD 3.85Å
37	Y	97.2	Very high	95.5	Very high	4 Å²	4	69.2 Å²	69.2	2%	0.016	34%	0.335	C	S	.	.			trans	-123.9	55.1	-168.4	-44.3	-55.6	0	0	0	112.6	L33 A39 V40 L47 C94 V96 Y97 Y98 M224	L33-Y37 HydrophobicContact CD2-CD2 3.98Å; L33-Y37 HydrophobicContact CD2-CE2 3.75Å; L33-Y37 WeakPolarHBondContact O-CB 3.44Å; L33-Y37 PolarHBondContact O-N 2.92Å; Y37-A39 PolarHBondContact O-N 3.22Å; Y37-A39 VanDerWaalsContact O-N 3.16Å; Y37-V40 PolarHBondContact O-N 3.31Å; Y37-V40 VanDerWaalsContact O-N 3.07Å; Y37-L47 HydrophobicContact CD2-CD1 3.79Å; Y37-L47 HydrophobicContact CD2-CD2 4.06Å; Y37-C94 HydrophobicContact CD1-CB 3.79Å; Y37-C94 HydrophobicContact CE1-CB 4.19Å; Y37-C94 HydrophobicContact CG-CB 4.45Å; Y37-V96 WeakPolarHBondContact CE1-O 3.4Å; Y37-Y97 HydrophobicContact CE1-CD2 4.07Å; Y37-Y97 HydrophobicContact CE2-CD2 4.05Å; Y37-Y97 HydrophobicContact CE2-CE2 4.09Å; Y37-Y97 AromaticContact CZ-CD2 3.59Å; Y37-Y97 AromaticContact CZ-CE2 3.99Å; Y37-Y97 WeakPolarHBondContact OH-CD2 3.4Å; Y37-Y98 PolarHBondContact OH-N 3.24Å; Y37-Y98 PolarHBondContact OH-O 3Å; Y37-Y98 VanDerWaalsContact OH-O 3.12Å; Y37-M224 HydrophobicContact CD1-CE 4.15Å; Y37-M224 HydrophobicContact CE1-CE 3.57Å
38	P	94.2	Very high	95.8	Very high	88 Å²	88	64 Å²	64	57%	0.571	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26	-170.6	26.1	-35.8	0	0	0	114.3	R34 L36 V40	R34-P38 WeakPolarHBondContact O-CA 3.32Å; R34-P38 WeakPolarHBondContact O-CB 3.44Å; L36-P38 VanDerWaalsContact O-CD 3.3Å; L36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-V40 VanDerWaalsContact C-N 3.33Å
39	A	93.3	Very high	96	Very high	48 Å²	48	62.1 Å²	62.1	40%	0.397	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.6	178.5	0	0	0	0	0	114.2	Y37 N41 A588	Y37-A39 PolarHBondContact O-N 3.22Å; Y37-A39 VanDerWaalsContact O-N 3.16Å; A39-N41 PolarHBondContact O-N 3.4Å; A39-A588 HydrophobicContact CB-CB 4.36Å
40	V	95.1	Very high	96.2	Very high	19 Å²	19	62.7 Å²	62.7	12%	0.115	31%	0.307	C	S	.	.			trans	-82.9	113.7	-177.6	179.4	0	0	0	0	111.2	Y37 P38 E42 T45 L47 P91 A93	Y37-V40 PolarHBondContact O-N 3.31Å; Y37-V40 VanDerWaalsContact O-N 3.07Å; P38-V40 VanDerWaalsContact C-N 3.33Å; V40-E42 HydrophobicContact CG1-CG 4.12Å; V40-E42 PolarHBondContact O-N 2.93Å; V40-T45 WeakPolarHBondContact CG1-O 3.43Å; V40-L47 HydrophobicContact CG1-CD1 4.4Å; V40-L47 HydrophobicContact CG1-CD2 4.27Å; V40-L47 HydrophobicContact CG1-CG 4.08Å; V40-L47 HydrophobicContact CG2-CD2 4.48Å; V40-P91 HydrophobicContact CG1-CB 4.21Å; V40-P91 HydrophobicContact CG1-CG 4.07Å; V40-P91 HydrophobicContact CG2-CB 4.38Å; V40-A93 VanDerWaalsContact CG2-C 3.48Å; V40-A93 HydrophobicContact CG2-CB 3.88Å; V40-A93 WeakPolarHBondContact CG2-O 3.24Å
41	N	93.5	Very high	96.3	Very high	68 Å²	68	60.5 Å²	60.5	36%	0.364	30%	0.295	S	S	.	.			trans	-78.5	94.3	164.9	-174.8	2.2	0	0	0	110.4	A39 Q43 E44 T45	A39-N41 PolarHBondContact O-N 3.4Å; N41-Q43 PolarHBondContact O-N 3.32Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.44Å; N41-Q43 PolarHBondContact OD1-N 3.12Å; N41-E44 HydrophobicContact CB-CB 4.41Å; N41-E44 PolarHBondContact ND2-OE1 3.29Å; N41-E44 PolarHBondContact O-N 3.1Å; N41-T45 PolarHBondContact O-N 2.95Å
42	E	95.2	Very high	96.4	Very high	51 Å²	51	54.5 Å²	54.5	24%	0.238	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.9	177.9	-75.9	-166.8	-82.6	0	0	114.6	V40 P46 L47 R49	V40-E42 HydrophobicContact CG1-CG 4.12Å; V40-E42 PolarHBondContact O-N 2.93Å; E42-P46 WeakPolarHBondContact O-CA 3.4Å; E42-P46 WeakPolarHBondContact O-CG 3.5Å; E42-L47 HydrophobicContact CG-CB 4.49Å; E42-L47 HydrophobicContact CG-CD1 4Å; E42-L47 HydrophobicContact CG-CG 4.05Å; E42-L47 PolarHBondContact OE2-N 2.88Å; E42-R49 VanDerWaalsContact CD-NH2 3.25Å; E42-R49 IonicContact OE1-CZ 2.74Å; E42-R49 IonicContact OE1-NH2 2.65Å; E42-R49 PolarHBondContact OE1-NH2 3.37Å; E42-R49 IonicContact OE2-CZ 2.71Å; E42-R49 IonicContact OE2-NE 3.88Å; E42-R49 PolarHBondContact OE2-NE 3Å; E42-R49 IonicContact OE2-NH2 2.71Å; E42-R49 PolarHBondContact OE2-NH2 2.96Å
43	Q	94.8	Very high	96.5	Very high	186 Å²	186	56.4 Å²	56.4	87%	0.869	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-26.5	170.1	-57.1	-174.8	16	0	0	112.7	N41	N41-Q43 PolarHBondContact O-N 3.32Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.44Å; N41-Q43 PolarHBondContact OD1-N 3.12Å
44	E	93	Very high	96.5	Very high	107 Å²	107	65.6 Å²	65.6	50%	0.5	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-45.4	177.6	-74.4	178.6	-122.6	0	0	111.5	N41	N41-E44 HydrophobicContact CB-CB 4.41Å; N41-E44 PolarHBondContact ND2-OE1 3.29Å; N41-E44 PolarHBondContact O-N 3.1Å
45	T	95.3	Very high	96.6	Very high	58 Å²	58	58.9 Å²	58.9	36%	0.356	30%	0.303	S	S	.	.	S	Bend	trans	-132	82.8	-178.4	57.7	0	0	0	0	109.7	V40 N41 P91	V40-T45 WeakPolarHBondContact CG1-O 3.43Å; N41-T45 PolarHBondContact O-N 2.95Å; T45-P91 WeakPolarHBondContact O-CG 3.33Å
46	P	97.8	Very high	96.8	Very high	48 Å²	48	54.3 Å²	54.3	31%	0.312	29%	0.287	S	S	.	.			trans	-60	143.6	-179.1	-19.3	29.1	0	0	0	112	E42 H88	E42-P46 WeakPolarHBondContact O-CA 3.4Å; E42-P46 WeakPolarHBondContact O-CG 3.5Å; P46-H88 VanDerWaalsContact O-CB 3.29Å; P46-H88 WeakPolarHBondContact O-CB 3.37Å
47	L	98.6	Very high	96.8	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	30%	0.297	C	S	.	.			trans	-74.2	149	177.9	-72.4	161.6	0	0	0	111.5	L33 Y37 V40 E42 R49 H88 P91 Y97	L33-L47 HydrophobicContact CB-CD1 4.03Å; L33-L47 HydrophobicContact CD1-CD1 4.05Å; L33-L47 HydrophobicContact CD2-CD1 4.19Å; L33-L47 HydrophobicContact CG-CD1 4.31Å; Y37-L47 HydrophobicContact CD2-CD1 3.79Å; Y37-L47 HydrophobicContact CD2-CD2 4.06Å; V40-L47 HydrophobicContact CG1-CD1 4.4Å; V40-L47 HydrophobicContact CG1-CD2 4.27Å; V40-L47 HydrophobicContact CG1-CG 4.08Å; V40-L47 HydrophobicContact CG2-CD2 4.48Å; E42-L47 HydrophobicContact CG-CB 4.49Å; E42-L47 HydrophobicContact CG-CD1 4Å; E42-L47 HydrophobicContact CG-CG 4.05Å; E42-L47 PolarHBondContact OE2-N 2.88Å; L47-R49 PolarHBondContact O-N 3.16Å; L47-R49 VanDerWaalsContact O-N 3.16Å; L47-H88 PolarHBondContact O-ND1 3.49Å; L47-P91 HydrophobicContact CD2-CG 4Å; L47-Y97 HydrophobicContact CD2-CE2 4.47Å
48	P	98.5	Very high	96.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.319	C	S	.	.			trans	-63	113.4	164.2	23.5	-31.3	0	0	0	109.8	A86 Y97 P196 F211	P48-A86 HydrophobicContact CB-CB 3.57Å; P48-Y97 HydrophobicContact CG-CE1 4.48Å; P48-Y97 HydrophobicContact CG-CE2 3.97Å; P48-Y97 WeakPolarHBondContact CG-OH 3.39Å; P48-P196 HydrophobicContact CB-CG 4.12Å; P48-P196 HydrophobicContact CG-CG 4.04Å; P48-F211 WeakPolarHBondContact O-CB 3.46Å
49	R	98.2	Very high	97.1	Very high	51 Å²	51	58.5 Å²	58.5	19%	0.192	30%	0.304	C	S	.	.			trans	-112.4	-17	-178.3	-71.5	170.3	172.9	-118.8	-0.4	113.5	L29 N30 L33 E42 L47 F211 Q213	L29-R49 HydrophobicContact CD2-CG 4.44Å; N30-R49 VanDerWaalsContact OD1-CZ 3.28Å; N30-R49 PolarHBondContact OD1-NH1 3.33Å; N30-R49 PolarHBondContact OD1-NH2 3.11Å; L33-R49 HydrophobicContact CD1-CG 4.11Å; E42-R49 VanDerWaalsContact CD-NH2 3.25Å; E42-R49 IonicContact OE1-CZ 2.74Å; E42-R49 IonicContact OE1-NH2 2.65Å; E42-R49 PolarHBondContact OE1-NH2 3.37Å; E42-R49 IonicContact OE2-CZ 2.71Å; E42-R49 IonicContact OE2-NE 3.88Å; E42-R49 PolarHBondContact OE2-NE 3Å; E42-R49 IonicContact OE2-NH2 2.71Å; E42-R49 PolarHBondContact OE2-NH2 2.96Å; L47-R49 PolarHBondContact O-N 3.16Å; L47-R49 VanDerWaalsContact O-N 3.16Å; R49-F211 WeakPolarHBondContact O-CD2 3.44Å; R49-Q213 PolarHBondContact O-NE2 2.98Å
50	S	98.6	Very high	97.3	Very high	25 Å²	25	56.2 Å²	56.2	18%	0.175	29%	0.285	C	S	.	.	S	Bend	trans	-161.6	171.7	178.2	57.5	0	0	0	0	111.4	A86 T87	S50-A86 CarbonylContact O-C 3.59Å; S50-A86 WeakPolarHBondContact O-CA 3.31Å; S50-T87 PolarHBondContact O-N 2.9Å; S50-T87 PolarHBondContact O-OG1 3.17Å
51	W	98.9	Very high	97.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	141.2	173.8	-62.1	116.9	0	0	0	111.8	P53 L62 N66 L67 V69 V84 A86 F99 P196 V198 A209 F211	W51-P53 WeakPolarHBondContact O-CD 3.27Å; W51-L62 HydrophobicContact CB-CD1 3.93Å; W51-L62 HydrophobicContact CB-CD2 3.76Å; W51-L62 HydrophobicContact CG-CD2 4.26Å; W51-N66 VanDerWaalsContact CB-O 3.26Å; W51-N66 WeakPolarHBondContact CB-O 3.34Å; W51-N66 PolarHBondContact N-O 3.29Å; W51-N66 WeakPolarHBondContact O-CB 3.44Å; W51-L67 PolarHBondContact NE1-O 3.49Å; W51-V69 HydrophobicContact CD2-CG2 4.1Å; W51-V69 HydrophobicContact CG-CG2 3.88Å; W51-V69 HydrophobicContact CZ2-CG2 4.49Å; W51-V84 HydrophobicContact CB-CG2 3.79Å; W51-V84 HydrophobicContact CD2-CG1 4.16Å; W51-V84 HydrophobicContact CD2-CG2 4.45Å; W51-V84 HydrophobicContact CE3-CG1 4.05Å; W51-V84 HydrophobicContact CE3-CG2 4.12Å; W51-V84 HydrophobicContact CG-CG1 4.41Å; W51-V84 HydrophobicContact CG-CG2 4.35Å; W51-A86 HydrophobicContact CE3-CB 4.47Å; W51-F99 HydrophobicContact CH2-CE2 4.39Å; W51-P196 HydrophobicContact CH2-CB 4.44Å; W51-P196 HydrophobicContact CZ3-CB 4.38Å; W51-P196 WeakPolarHBondContact CZ3-O 3.39Å; W51-V198 HydrophobicContact CH2-CB 4Å; W51-V198 HydrophobicContact CH2-CG2 3.58Å; W51-V198 HydrophobicContact CZ2-CB 4.09Å; W51-V198 HydrophobicContact CZ2-CG2 3.55Å; W51-A209 HydrophobicContact CZ2-CB 3.62Å; W51-A209 VanDerWaalsContact NE1-CB 3.26Å; W51-F211 HydrophobicContact CD2-CE2 4.25Å; W51-F211 AromaticContact CD2-CZ 3.93Å; W51-F211 HydrophobicContact CD2-CZ 3.93Å; W51-F211 AromaticContact CE2-CZ 3.76Å; W51-F211 HydrophobicContact CE3-CZ 4.02Å; W51-F211 HydrophobicContact CH2-CE1 4.38Å; W51-F211 AromaticContact CH2-CZ 3.81Å; W51-F211 HydrophobicContact CH2-CZ 3.81Å; W51-F211 HydrophobicContact CZ2-CE2 4.42Å; W51-F211 AromaticContact CZ2-CZ 3.73Å; W51-F211 HydrophobicContact CZ2-CZ 3.73Å; W51-F211 AromaticContact CZ3-CZ 3.97Å; W51-F211 HydrophobicContact CZ3-CZ 3.97Å
52	S	98.8	Very high	97.8	Very high	15 Å²	15	53.9 Å²	53.9	11%	0.105	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.4	-178.8	-172.7	0	0	0	0	111.1	K54 D55 R85	S52-K54 PolarHBondContact O-N 3.07Å; S52-K54 PolarHBondContact OG-N 3Å; S52-D55 WeakPolarHBondContact OG-CB 3.38Å; S52-D55 PolarHBondContact OG-N 2.79Å; S52-R85 VanDerWaalsContact CB-O 3.27Å; S52-R85 WeakPolarHBondContact CB-O 3.37Å; S52-R85 PolarHBondContact N-O 2.92Å
53	P	98.4	Very high	97.9	Very high	74 Å²	74	53.5 Å²	53.5	48%	0.481	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-16.8	173.8	29.4	-34.8	0	0	0	112.5	W51 K56 L62	W51-P53 WeakPolarHBondContact O-CD 3.27Å; P53-K56 WeakPolarHBondContact O-CE 3.41Å; P53-L62 HydrophobicContact CB-CD1 4.45Å
54	K	98.1	Very high	98	Very high	195 Å²	195	50.6 Å²	50.6	85%	0.848	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	-43.3	179.4	-61.9	-178.5	-178.9	176.4	0	112.5	S52 K56	S52-K54 PolarHBondContact O-N 3.07Å; S52-K54 PolarHBondContact OG-N 3Å; K54-K56 PolarHBondContact O-N 3.33Å
55	D	98.6	Very high	98.2	Very high	45 Å²	45	50.8 Å²	50.8	24%	0.241	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	69.3	-171.8	-162.3	7.3	0	0	0	111.9	S52 R85	S52-D55 WeakPolarHBondContact OG-CB 3.38Å; S52-D55 PolarHBondContact OG-N 2.79Å; D55-R85 PolarHBondContact O-N 2.74Å; D55-R85 IonicContact OD1-CZ 3.34Å; D55-R85 IonicContact OD1-NE 3.59Å; D55-R85 IonicContact OD1-NH2 2.86Å; D55-R85 PolarHBondContact OD1-NH2 3.34Å; D55-R85 IonicContact OD2-CZ 3.87Å; D55-R85 IonicContact OD2-NE 2.82Å; D55-R85 PolarHBondContact OD2-NE 3.32Å; D55-R85 IonicContact OD2-NH2 2.74Å; D55-R85 PolarHBondContact OD2-NH2 2.73Å
56	K	98.7	Very high	98.3	Very high	53 Å²	53	50.6 Å²	50.6	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	158.6	-175.9	62.8	175.6	-160.7	67.8	0	111	P53 K54 I60 L62 S83 V84	P53-K56 WeakPolarHBondContact O-CE 3.41Å; K54-K56 PolarHBondContact O-N 3.33Å; K56-I60 HydrophobicContact CB-CB 4.41Å; K56-I60 HydrophobicContact CB-CG2 4.36Å; K56-I60 HydrophobicContact CD-CB 4.33Å; K56-I60 HydrophobicContact CD-CG2 3.97Å; K56-I60 PolarHBondContact NZ-O 2.92Å; K56-L62 HydrophobicContact CD-CD1 4.06Å; K56-L62 HydrophobicContact CD-CG 4.23Å; K56-S83 CarbonylContact C-O 3.59Å; K56-S83 WeakPolarHBondContact CA-O 3.49Å; K56-V84 HydrophobicContact CB-CB 3.63Å; K56-V84 HydrophobicContact CB-CG2 3.66Å
57	F	98.6	Very high	98.4	Very high	49 Å²	49	49.4 Å²	49.4	22%	0.215	26%	0.255	C	S	.	.			trans	-73.9	163	170.8	-161.9	-122	0	0	0	112.6	Y59 I60 A82 S83 M123 N124	F57-Y59 VanDerWaalsContact C-N 3.31Å; F57-Y59 HydrophobicContact CD1-CD2 4.04Å; F57-Y59 HydrophobicContact CD1-CG 4.12Å; F57-Y59 AromaticContact CE1-CD2 3.67Å; F57-Y59 HydrophobicContact CE1-CD2 3.67Å; F57-Y59 AromaticContact CE1-CE2 3.96Å; F57-Y59 HydrophobicContact CE1-CE2 3.96Å; F57-Y59 HydrophobicContact CE1-CG 4.02Å; F57-Y59 PolarHBondContact O-N 3.29Å; F57-I60 PolarHBondContact O-N 3.27Å; F57-A82 HydrophobicContact CB-CB 4.12Å; F57-A82 HydrophobicContact CD1-CB 3.84Å; F57-A82 HydrophobicContact CG-CB 4.46Å; F57-S83 PolarHBondContact N-O 2.77Å; F57-M123 HydrophobicContact CB-CB 3.99Å; F57-M123 WeakPolarHBondContact CB-O 3.42Å; F57-N124 HydrophobicContact CD1-CB 4.31Å; F57-N124 HydrophobicContact CD2-CB 3.88Å; F57-N124 HydrophobicContact CE1-CB 4.11Å; F57-N124 WeakPolarHBondContact CE1-OD1 3.39Å; F57-N124 HydrophobicContact CE2-CB 3.67Å; F57-N124 HydrophobicContact CG-CB 4.22Å; F57-N124 HydrophobicContact CZ-CB 3.79Å; F57-N124 VanDerWaalsContact CZ-CG 3.44Å
58	S	98.3	Very high	98.4	Very high	70 Å²	70	52.6 Å²	52.6	49%	0.49	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-32.4	-175.6	57.6	0	0	0	0	112.9	I60 K72	S58-I60 VanDerWaalsContact C-N 3.27Å; S58-I60 PolarHBondContact O-N 2.78Å; S58-K72 WeakPolarHBondContact O-CE 3.25Å
59	Y	98.7	Very high	98.4	Very high	65 Å²	65	52.6 Å²	52.6	26%	0.255	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.9	178.1	-61.9	-19.3	0	0	0	114.9	F57 K72 G73 D80	F57-Y59 VanDerWaalsContact C-N 3.31Å; F57-Y59 HydrophobicContact CD1-CD2 4.04Å; F57-Y59 HydrophobicContact CD1-CG 4.12Å; F57-Y59 AromaticContact CE1-CD2 3.67Å; F57-Y59 HydrophobicContact CE1-CD2 3.67Å; F57-Y59 AromaticContact CE1-CE2 3.96Å; F57-Y59 HydrophobicContact CE1-CE2 3.96Å; F57-Y59 HydrophobicContact CE1-CG 4.02Å; F57-Y59 PolarHBondContact O-N 3.29Å; Y59-K72 WeakPolarHBondContact O-CG 3.43Å; Y59-K72 PolarHBondContact O-N 2.86Å; Y59-G73 VanDerWaalsContact CG-CA 3.47Å; Y59-D80 HydrophobicContact CE2-CB 4.39Å
60	I	98.8	Very high	98.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.2	167.4	-67.4	-50.8	0	0	0	109.5	K56 F57 S58 L62 V69 K72 A82 V84 L200	K56-I60 HydrophobicContact CB-CB 4.41Å; K56-I60 HydrophobicContact CB-CG2 4.36Å; K56-I60 HydrophobicContact CD-CB 4.33Å; K56-I60 HydrophobicContact CD-CG2 3.97Å; K56-I60 PolarHBondContact NZ-O 2.92Å; F57-I60 PolarHBondContact O-N 3.27Å; S58-I60 VanDerWaalsContact C-N 3.27Å; S58-I60 PolarHBondContact O-N 2.78Å; I60-L62 HydrophobicContact CG2-CD2 3.88Å; I60-L62 HydrophobicContact CG2-CG 4.32Å; I60-V69 HydrophobicContact CD1-CG1 3.95Å; I60-V69 HydrophobicContact CG2-CG1 3.8Å; I60-K72 WeakPolarHBondContact O-CE 3.45Å; I60-A82 HydrophobicContact CD1-CB 3.9Å; I60-A82 VanDerWaalsContact CD1-O 3.3Å; I60-A82 WeakPolarHBondContact CD1-O 3.46Å; I60-A82 HydrophobicContact CG1-CB 3.91Å; I60-V84 HydrophobicContact CG2-CB 3.96Å; I60-V84 HydrophobicContact CG2-CG1 3.96Å; I60-L200 HydrophobicContact CD1-CB 4.33Å; I60-L200 HydrophobicContact CD1-CD1 4.31Å; I60-L200 HydrophobicContact CD1-CG 4.38Å
61	G	98.8	Very high	98.5	Very high	5 Å²	5	52.2 Å²	52.2	5%	0.052	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	150.5	159.9	0	0	0	0	0	110.9	H70	G61-H70 WeakPolarHBondContact CA-NE2 3.22Å; G61-H70 PolarHBondContact N-O 2.98Å; G61-H70 PolarHBondContact O-N 3.02Å; G61-H70 PolarHBondContact O-ND1 3.35Å
62	L	98.9	Very high	98.4	Very high	32 Å²	32	58.4 Å²	58.4	17%	0.168	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.4	177.4	-61.3	179.9	0	0	0	109.9	W51 P53 K56 I60 N66 R68 V69 H70	W51-L62 HydrophobicContact CB-CD1 3.93Å; W51-L62 HydrophobicContact CB-CD2 3.76Å; W51-L62 HydrophobicContact CG-CD2 4.26Å; P53-L62 HydrophobicContact CB-CD1 4.45Å; K56-L62 HydrophobicContact CD-CD1 4.06Å; K56-L62 HydrophobicContact CD-CG 4.23Å; I60-L62 HydrophobicContact CG2-CD2 3.88Å; I60-L62 HydrophobicContact CG2-CG 4.32Å; L62-N66 HydrophobicContact CD1-CB 4.15Å; L62-R68 CarbonylContact C-O 3.44Å; L62-R68 VanDerWaalsContact CA-O 3.3Å; L62-R68 WeakPolarHBondContact CA-O 3.44Å; L62-V69 HydrophobicContact CD2-CB 4.5Å; L62-V69 HydrophobicContact CD2-CG1 4.42Å; L62-V69 HydrophobicContact CD2-CG2 4.12Å; L62-H70 PolarHBondContact N-CE1 3.49Å
63	S	98.6	Very high	98.4	Very high	43 Å²	43	58.2 Å²	58.2	30%	0.301	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-175.5	171.5	60.4	0	0	0	0	110.3	N66 L67 R68	S63-N66 WeakPolarHBondContact O-CA 3.35Å; S63-N66 PolarHBondContact O-N 3.47Å; S63-L67 PolarHBondContact O-N 2.75Å; S63-R68 PolarHBondContact N-O 3.08Å; S63-R68 PolarHBondContact O-N 2.9Å
64	Q	96.7	Very high	98.3	Very high	126 Å²	126	60.9 Å²	60.9	59%	0.589	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	64.3	-179.3	-54.7	-59.7	-17.5	0	0	112.2	N66 L67 R68	Q64-N66 PolarHBondContact O-N 3.3Å; Q64-N66 VanDerWaalsContact O-N 3.15Å; Q64-L67 WeakPolarHBondContact O-CB 3.4Å; Q64-L67 PolarHBondContact O-N 2.99Å; Q64-R68 HydrophobicContact CB-CB 3.92Å; Q64-R68 HydrophobicContact CG-CB 3.9Å
65	N	96.2	Very high	98.1	Very high	111 Å²	111	51.6 Å²	51.6	59%	0.594	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	34.5	-177.6	-58.2	-21.4	0	0	0	114.2	L67	N65-L67 VanDerWaalsContact C-N 3.28Å; N65-L67 PolarHBondContact O-N 3.32Å
66	N	98.5	Very high	97.8	Very high	53 Å²	53	57.7 Å²	57.7	28%	0.283	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	29.4	-173.7	-57.3	-30.7	0	0	0	114.3	W51 L62 S63 Q64	W51-N66 VanDerWaalsContact CB-O 3.26Å; W51-N66 WeakPolarHBondContact CB-O 3.34Å; W51-N66 PolarHBondContact N-O 3.29Å; W51-N66 WeakPolarHBondContact O-CB 3.44Å; L62-N66 HydrophobicContact CD1-CB 4.15Å; S63-N66 WeakPolarHBondContact O-CA 3.35Å; S63-N66 PolarHBondContact O-N 3.47Å; Q64-N66 PolarHBondContact O-N 3.3Å; Q64-N66 VanDerWaalsContact O-N 3.15Å
67	L	98.6	Very high	97.6	Very high	23 Å²	23	58.1 Å²	58.1	12%	0.12	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-30.1	171.6	-59.8	174.2	0	0	0	112.2	W51 S63 Q64 N65 A209 F211 Q213	W51-L67 PolarHBondContact NE1-O 3.49Å; S63-L67 PolarHBondContact O-N 2.75Å; Q64-L67 WeakPolarHBondContact O-CB 3.4Å; Q64-L67 PolarHBondContact O-N 2.99Å; N65-L67 VanDerWaalsContact C-N 3.28Å; N65-L67 PolarHBondContact O-N 3.32Å; L67-A209 PolarHBondContact O-N 3.3Å; L67-F211 HydrophobicContact CD2-CD2 3.85Å; L67-F211 HydrophobicContact CD2-CE2 4.24Å; L67-Q213 HydrophobicContact CD1-CG 3.93Å
68	R	98.9	Very high	97.3	Very high	69 Å²	69	59.6 Å²	59.6	26%	0.26	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.6	176	-178.9	161.9	-69.9	-177.5	2.4	111.3	L62 S63 Q64 V206 D208	L62-R68 CarbonylContact C-O 3.44Å; L62-R68 VanDerWaalsContact CA-O 3.3Å; L62-R68 WeakPolarHBondContact CA-O 3.44Å; S63-R68 PolarHBondContact N-O 3.08Å; S63-R68 PolarHBondContact O-N 2.9Å; Q64-R68 HydrophobicContact CB-CB 3.92Å; Q64-R68 HydrophobicContact CG-CB 3.9Å; R68-V206 HydrophobicContact CG-CG1 3.79Å; R68-D208 WeakPolarHBondContact CA-OD1 3.44Å; R68-D208 WeakPolarHBondContact CB-OD1 3.29Å; R68-D208 WeakPolarHBondContact CG-OD1 3.27Å; R68-D208 IonicContact CZ-OD1 3.17Å; R68-D208 IonicContact CZ-OD2 3.91Å; R68-D208 IonicContact NE-OD1 3.51Å; R68-D208 PolarHBondContact NE-OD1 3.36Å; R68-D208 IonicContact NE-OD2 2.73Å; R68-D208 PolarHBondContact NE-OD2 3.48Å; R68-D208 IonicContact NH2-OD1 3.83Å; R68-D208 IonicContact NH2-OD2 3.6Å; R68-D208 PolarHBondContact NH2-OD2 2.95Å
69	V	98.9	Very high	97.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.3	172.4	-167	0	0	0	0	109	W51 I60 L62 V84 L200 V206 V207	W51-V69 HydrophobicContact CD2-CG2 4.1Å; W51-V69 HydrophobicContact CG-CG2 3.88Å; W51-V69 HydrophobicContact CZ2-CG2 4.49Å; I60-V69 HydrophobicContact CD1-CG1 3.95Å; I60-V69 HydrophobicContact CG2-CG1 3.8Å; L62-V69 HydrophobicContact CD2-CB 4.5Å; L62-V69 HydrophobicContact CD2-CG1 4.42Å; L62-V69 HydrophobicContact CD2-CG2 4.12Å; V69-V84 HydrophobicContact CG1-CG1 3.92Å; V69-V84 HydrophobicContact CG2-CG1 4.06Å; V69-L200 HydrophobicContact CB-CD1 4.32Å; V69-L200 HydrophobicContact CG1-CD1 3.74Å; V69-L200 HydrophobicContact CG1-CG 4.42Å; V69-V206 WeakPolarHBondContact O-CA 3.49Å; V69-V207 HydrophobicContact CB-CG2 3.95Å; V69-V207 HydrophobicContact CG2-CG2 4.24Å; V69-V207 PolarHBondContact N-O 3.4Å; V69-V207 PolarHBondContact O-N 2.97Å
70	H	98.8	Very high	97	Very high	57 Å²	57	62.5 Å²	62.5	26%	0.264	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.8	173.2	55.8	-87.3	0	0	0	111.9	G61 L62 E205 V206	G61-H70 WeakPolarHBondContact CA-NE2 3.22Å; G61-H70 PolarHBondContact N-O 2.98Å; G61-H70 PolarHBondContact O-N 3.02Å; G61-H70 PolarHBondContact O-ND1 3.35Å; L62-H70 PolarHBondContact N-CE1 3.49Å; H70-E205 WeakPolarHBondContact CA-O 3.24Å; H70-V206 HydrophobicContact CB-CG1 4.46Å; H70-V206 HydrophobicContact CB-CG2 4.03Å
71	Y	98.8	Very high	97	Very high	12 Å²	12	62.5 Å²	62.5	5%	0.047	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.3	176.5	-172.5	-94.5	0	0	0	111.3	G73 G75 D80 A82 L200 Q201 T202 E205	Y71-G73 VanDerWaalsContact CE1-CA 3.43Å; Y71-G73 VanDerWaalsContact CE1-N 3.29Å; Y71-G73 WeakPolarHBondContact CE1-O 3.49Å; Y71-G73 WeakPolarHBondContact OH-CA 3.16Å; Y71-G75 WeakPolarHBondContact OH-CA 3.46Å; Y71-G75 PolarHBondContact OH-N 3.23Å; Y71-D80 VanDerWaalsContact CE2-O 3.25Å; Y71-D80 WeakPolarHBondContact CE2-O 3.2Å; Y71-D80 WeakPolarHBondContact OH-CB 3.32Å; Y71-D80 PolarHBondContact OH-O 3.23Å; Y71-A82 HydrophobicContact CD2-CB 4.22Å; Y71-A82 HydrophobicContact CE2-CB 3.93Å; Y71-L200 HydrophobicContact CD2-CB 3.94Å; Y71-L200 WeakPolarHBondContact CD2-O 3.38Å; Y71-L200 HydrophobicContact CG-CB 4.31Å; Y71-Q201 WeakPolarHBondContact CE1-O 3.43Å; Y71-Q201 PolarHBondContact OH-O 3.43Å; Y71-T202 VanDerWaalsContact CD1-O 3.28Å; Y71-T202 WeakPolarHBondContact CD1-O 3.33Å; Y71-E205 PolarHBondContact N-O 3.23Å
72	K	98.2	Very high	97	Very high	129 Å²	129	62.3 Å²	62.3	56%	0.561	31%	0.307	S	S	*	.			trans	-132.5	19.3	-179.9	62	168.6	-173.3	178.5	0	113.8	S58 Y59 I60	S58-K72 WeakPolarHBondContact O-CE 3.25Å; Y59-K72 WeakPolarHBondContact O-CG 3.43Å; Y59-K72 PolarHBondContact O-N 2.86Å; I60-K72 WeakPolarHBondContact O-CE 3.45Å
73	G	97.6	Very high	97	Very high	12 Å²	12	60.8 Å²	60.8	12%	0.124	30%	0.299	C	S	.	.	S	Bend	trans	-85.3	-170.9	170.8	0	0	0	0	0	112.6	Y59 Y71	Y59-G73 VanDerWaalsContact CG-CA 3.47Å; Y71-G73 VanDerWaalsContact CE1-CA 3.43Å; Y71-G73 VanDerWaalsContact CE1-N 3.29Å; Y71-G73 WeakPolarHBondContact CE1-O 3.49Å; Y71-G73 WeakPolarHBondContact OH-CA 3.16Å
74	H	96.2	Very high	97	Very high	129 Å²	129	58.8 Å²	58.8	60%	0.597	29%	0.285	S	S	*	.			trans	-83.6	-27.8	178.2	-62.3	-53.5	0	0	0	113.9	K76	H74-K76 HydrophobicContact CB-CG 4.41Å; H74-K76 PolarHBondContact O-N 3.28Å
75	G	95.5	Very high	97.1	Very high	1 Å²	1	53 Å²	53	1%	0.01	26%	0.258	C	S	.	.			trans	50.3	52	178.5	0	0	0	0	0	114.7	Y71 R108 Q201	Y71-G75 WeakPolarHBondContact OH-CA 3.46Å; Y71-G75 PolarHBondContact OH-N 3.23Å; G75-R108 VanDerWaalsContact O-CZ 3.3Å; G75-R108 PolarHBondContact O-NH1 3.34Å; G75-R108 PolarHBondContact O-NH2 3.18Å; G75-Q201 WeakPolarHBondContact CA-O 3.28Å
76	K	92.5	Very high	97.3	Very high	173 Å²	173	47.8 Å²	47.8	75%	0.752	23%	0.23	S	C	*	.	S	Bend	trans	-96.9	-26.5	177.1	-68.2	-174.6	178.6	-178.3	0	112.6	H74 D80	H74-K76 HydrophobicContact CB-CG 4.41Å; H74-K76 PolarHBondContact O-N 3.28Å; K76-D80 WeakPolarHBondContact CA-OD2 3.47Å; K76-D80 PolarHBondContact N-OD2 2.87Å
77	T	94	Very high	97.3	Very high	62 Å²	62	47.5 Å²	47.5	38%	0.38	23%	0.23	S	C	.	.	S	Bend	trans	-146.4	165.3	-172.3	69.5	0	0	0	0	111.2	K79 D80	T77-K79 PolarHBondContact O-N 2.98Å; T77-K79 PolarHBondContact OG1-N 3.4Å; T77-D80 PolarHBondContact N-OD2 2.84Å; T77-D80 WeakPolarHBondContact O-CB 3.4Å; T77-D80 PolarHBondContact O-N 3.41Å; T77-D80 PolarHBondContact OG1-OD2 3.29Å; T77-D80 VanDerWaalsContact OG1-OD2 3.09Å
78	P	91.1	Very high	97.3	Very high	80 Å²	80	49.6 Å²	49.6	52%	0.519	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-58.5	-13.5	170.4	-27.1	36.7	0	0	0	115.3	W129	P78-W129 HydrophobicContact CB-CH2 4.03Å; P78-W129 HydrophobicContact CB-CZ3 4.34Å
79	K	94.4	Very high	97.2	Very high	174 Å²	174	48 Å²	48	76%	0.757	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-80.1	-5.5	174	-60.6	-177.4	179	179.6	0	113.5	T77 N124	T77-K79 PolarHBondContact O-N 2.98Å; T77-K79 PolarHBondContact OG1-N 3.4Å; K79-N124 PolarHBondContact O-OD1 2.97Å; K79-N124 VanDerWaalsContact O-OD1 3.13Å
80	D	97.5	Very high	97.2	Very high	22 Å²	22	48.1 Å²	48.1	12%	0.118	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-98.8	4.6	177.4	-54.4	-59.6	0	0	0	112.2	Y59 Y71 K76 T77	Y59-D80 HydrophobicContact CE2-CB 4.39Å; Y71-D80 VanDerWaalsContact CE2-O 3.25Å; Y71-D80 WeakPolarHBondContact CE2-O 3.2Å; Y71-D80 WeakPolarHBondContact OH-CB 3.32Å; Y71-D80 PolarHBondContact OH-O 3.23Å; K76-D80 WeakPolarHBondContact CA-OD2 3.47Å; K76-D80 PolarHBondContact N-OD2 2.87Å; T77-D80 PolarHBondContact N-OD2 2.84Å; T77-D80 WeakPolarHBondContact O-CB 3.4Å; T77-D80 PolarHBondContact O-N 3.41Å; T77-D80 PolarHBondContact OG1-OD2 3.29Å; T77-D80 VanDerWaalsContact OG1-OD2 3.09Å
81	A	98.4	Very high	97.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.			trans	-64.9	139.4	177.7	0	0	0	0	0	112	N124 R125 L126 W129 Q201	A81-N124 CarbonylContact O-C 3.1Å; A81-N124 VanDerWaalsContact O-CA 3.26Å; A81-N124 WeakPolarHBondContact O-CA 3.44Å; A81-N124 PolarHBondContact O-OD1 2.71Å; A81-R125 PolarHBondContact O-N 2.8Å; A81-L126 HydrophobicContact CB-CD2 4.14Å; A81-L126 HydrophobicContact CB-CG 3.97Å; A81-W129 HydrophobicContact CB-CH2 4.33Å; A81-W129 HydrophobicContact CB-CZ3 3.88Å; A81-Q201 HydrophobicContact CB-CB 4.22Å; A81-Q201 HydrophobicContact CB-CG 4.21Å
82	A	98.8	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	123.5	-168.8	0	0	0	0	0	111.2	F57 I60 Y71 M123 G199 L200	F57-A82 HydrophobicContact CB-CB 4.12Å; F57-A82 HydrophobicContact CD1-CB 3.84Å; F57-A82 HydrophobicContact CG-CB 4.46Å; I60-A82 HydrophobicContact CD1-CB 3.9Å; I60-A82 VanDerWaalsContact CD1-O 3.3Å; I60-A82 WeakPolarHBondContact CD1-O 3.46Å; I60-A82 HydrophobicContact CG1-CB 3.91Å; Y71-A82 HydrophobicContact CD2-CB 4.22Å; Y71-A82 HydrophobicContact CE2-CB 3.93Å; A82-M123 CarbonylContact C-O 3.53Å; A82-M123 WeakPolarHBondContact CA-O 3.47Å; A82-G199 CarbonylContact O-C 3.53Å; A82-G199 VanDerWaalsContact O-CA 3.22Å; A82-G199 WeakPolarHBondContact O-CA 3.41Å; A82-L200 PolarHBondContact N-O 3.35Å; A82-L200 PolarHBondContact O-N 2.95Å
83	S	98.9	Very high	96.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	162.5	179.9	-73.8	0	0	0	0	113.9	K56 F57 M123 R125 V198 G199	K56-S83 CarbonylContact C-O 3.59Å; K56-S83 WeakPolarHBondContact CA-O 3.49Å; F57-S83 PolarHBondContact N-O 2.77Å; S83-M123 PolarHBondContact N-O 2.99Å; S83-R125 WeakPolarHBondContact CB-O 3.21Å; S83-R125 PolarHBondContact OG-O 2.95Å; S83-V198 CarbonylContact C-O 3.53Å; S83-V198 WeakPolarHBondContact CA-O 3.33Å; S83-G199 WeakPolarHBondContact OG-CA 3.49Å
84	V	98.9	Very high	97	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.9	170.4	52.1	0	0	0	0	110	W51 K56 I60 V69 T197 V198	W51-V84 HydrophobicContact CB-CG2 3.79Å; W51-V84 HydrophobicContact CD2-CG1 4.16Å; W51-V84 HydrophobicContact CD2-CG2 4.45Å; W51-V84 HydrophobicContact CE3-CG1 4.05Å; W51-V84 HydrophobicContact CE3-CG2 4.12Å; W51-V84 HydrophobicContact CG-CG1 4.41Å; W51-V84 HydrophobicContact CG-CG2 4.35Å; K56-V84 HydrophobicContact CB-CB 3.63Å; K56-V84 HydrophobicContact CB-CG2 3.66Å; I60-V84 HydrophobicContact CG2-CB 3.96Å; I60-V84 HydrophobicContact CG2-CG1 3.96Å; V69-V84 HydrophobicContact CG1-CG1 3.92Å; V69-V84 HydrophobicContact CG2-CG1 4.06Å; V84-T197 WeakPolarHBondContact O-CA 3.27Å; V84-T197 WeakPolarHBondContact O-CG2 3.36Å; V84-V198 PolarHBondContact N-O 3.17Å; V84-V198 PolarHBondContact O-N 3.03Å
85	R	98.9	Very high	97	Very high	6 Å²	6	33.4 Å²	33.4	2%	0.023	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	155.8	168.2	-82.8	-175.8	-75.1	-90.9	-7.9	111	S52 D55 S117 A118 V121 M123 Y195 P196 T197	S52-R85 VanDerWaalsContact CB-O 3.27Å; S52-R85 WeakPolarHBondContact CB-O 3.37Å; S52-R85 PolarHBondContact N-O 2.92Å; D55-R85 PolarHBondContact O-N 2.74Å; D55-R85 IonicContact OD1-CZ 3.34Å; D55-R85 IonicContact OD1-NE 3.59Å; D55-R85 IonicContact OD1-NH2 2.86Å; D55-R85 PolarHBondContact OD1-NH2 3.34Å; D55-R85 IonicContact OD2-CZ 3.87Å; D55-R85 IonicContact OD2-NE 2.82Å; D55-R85 PolarHBondContact OD2-NE 3.32Å; D55-R85 IonicContact OD2-NH2 2.74Å; D55-R85 PolarHBondContact OD2-NH2 2.73Å; R85-S117 WeakPolarHBondContact CD-OG 3.47Å; R85-S117 WeakPolarHBondContact CG-OG 3.43Å; R85-S117 PolarHBondContact NH1-OG 2.99Å; R85-A118 PolarHBondContact NH1-O 3.25Å; R85-V121 PolarHBondContact NH1-O 3.1Å; R85-V121 PolarHBondContact NH2-O 2.74Å; R85-M123 HydrophobicContact CG-CE 4.49Å; R85-M123 HydrophobicContact CG-SD 4.12Å; R85-Y195 HydrophobicContact CB-CD1 4.14Å; R85-Y195 HydrophobicContact CB-CG 4.26Å; R85-Y195 HydrophobicContact CG-CG 4.19Å; R85-P196 CarbonylContact C-O 3.55Å; R85-P196 WeakPolarHBondContact CA-O 3.38Å; R85-T197 HydrophobicContact CG-CG2 4.34Å
86	A	98.9	Very high	97.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	171.7	167.1	0	0	0	0	0	112	P48 S50 W51 H88 Y195 P196 F211	P48-A86 HydrophobicContact CB-CB 3.57Å; S50-A86 CarbonylContact O-C 3.59Å; S50-A86 WeakPolarHBondContact O-CA 3.31Å; W51-A86 HydrophobicContact CE3-CB 4.47Å; A86-H88 VanDerWaalsContact C-N 3.3Å; A86-H88 PolarHBondContact O-N 2.98Å; A86-Y195 WeakPolarHBondContact O-CD1 3.39Å; A86-P196 HydrophobicContact CB-CB 4.07Å; A86-P196 HydrophobicContact CB-CG 4.05Å; A86-P196 PolarHBondContact N-O 2.91Å; A86-F211 HydrophobicContact CB-CE1 4.36Å; A86-F211 HydrophobicContact CB-CZ 4.23Å
87	T	98.6	Very high	97.4	Very high	46 Å²	46	25.1 Å²	25.1	28%	0.282	14%	0.137	S	C	.	.	S	Bend	trans	-64.5	-29.2	178.8	44.5	0	0	0	0	114.6	S50	S50-T87 PolarHBondContact O-N 2.9Å; S50-T87 PolarHBondContact O-OG1 3.17Å
88	H	98.7	Very high	97.7	Very high	68 Å²	68	22.2 Å²	22.2	32%	0.315	12%	0.119	S	C	.	.	S	Bend	trans	-138.7	156.1	-175.4	-60.7	113.5	0	0	0	111.4	P46 L47 A86 Y195	P46-H88 VanDerWaalsContact O-CB 3.29Å; P46-H88 WeakPolarHBondContact O-CB 3.37Å; L47-H88 PolarHBondContact O-ND1 3.49Å; A86-H88 VanDerWaalsContact C-N 3.3Å; A86-H88 PolarHBondContact O-N 2.98Å; H88-Y195 VanDerWaalsContact O-CD1 3.27Å; H88-Y195 WeakPolarHBondContact O-CD1 3.49Å
89	P	98.4	Very high	98.1	Very high	34 Å²	34	18.4 Å²	18.4	22%	0.221	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-70.6	162.1	168.2	31.6	-32.2	0	0	0	110	P91 N193 L194 Y195	P89-P91 VanDerWaalsContact O-CD 3.28Å; P89-P91 WeakPolarHBondContact O-CD 3.45Å; P89-N193 HydrophobicContact CB-CB 4.19Å; P89-L194 WeakPolarHBondContact CA-O 3.34Å; P89-Y195 HydrophobicContact CB-CD2 3.96Å; P89-Y195 HydrophobicContact CB-CE1 4.4Å; P89-Y195 HydrophobicContact CB-CE2 3.66Å; P89-Y195 HydrophobicContact CB-CG 4.41Å; P89-Y195 HydrophobicContact CG-CE2 4.25Å; P89-Y195 VanDerWaalsContact N-CE1 3.33Å
90	I	98.6	Very high	98.3	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	6%	0.06	C	C	.	.	P	Polyproline II helix	trans	-71.3	121	173.8	-59.6	165.5	0	0	0	109.2	Y97 L116 V167 L169 L194 P196	I90-Y97 HydrophobicContact CB-CD1 4.47Å; I90-Y97 HydrophobicContact CB-CG 4.39Å; I90-Y97 HydrophobicContact CD1-CD1 3.43Å; I90-Y97 VanDerWaalsContact CD1-CD1 3.43Å; I90-Y97 HydrophobicContact CD1-CE1 3.91Å; I90-Y97 HydrophobicContact CD1-CG 4.12Å; I90-Y97 HydrophobicContact CG1-CD1 3.62Å; I90-Y97 HydrophobicContact CG1-CE1 3.89Å; I90-Y97 HydrophobicContact CG1-CG 4.01Å; I90-Y97 HydrophobicContact CG2-CD1 3.98Å; I90-Y97 HydrophobicContact CG2-CD2 3.98Å; I90-Y97 HydrophobicContact CG2-CG 3.49Å; I90-Y97 VanDerWaalsContact CG2-CG 3.49Å; I90-L116 HydrophobicContact CD1-CD2 3.9Å; I90-V167 HydrophobicContact CD1-CB 4.22Å; I90-V167 HydrophobicContact CD1-CG1 4.48Å; I90-V167 HydrophobicContact CD1-CG2 3.75Å; I90-L169 HydrophobicContact CG2-CD1 3.64Å; I90-L194 WeakPolarHBondContact CG1-O 3.49Å; I90-L194 PolarHBondContact N-O 3.19Å; I90-P196 HydrophobicContact CD1-CG 4.39Å; I90-P196 HydrophobicContact CG1-CG 4.22Å
91	P	97.4	Very high	98.3	Very high	7 Å²	7	9.3 Å²	9.3	5%	0.045	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-67.2	136.4	174.3	-21.3	34.2	0	0	0	112.1	V40 T45 L47 P89 A93 C94 L169	V40-P91 HydrophobicContact CG1-CB 4.21Å; V40-P91 HydrophobicContact CG1-CG 4.07Å; V40-P91 HydrophobicContact CG2-CB 4.38Å; T45-P91 WeakPolarHBondContact O-CG 3.33Å; L47-P91 HydrophobicContact CD2-CG 4Å; P89-P91 VanDerWaalsContact O-CD 3.28Å; P89-P91 WeakPolarHBondContact O-CD 3.45Å; P91-A93 PolarHBondContact O-N 2.89Å; P91-C94 WeakPolarHBondContact O-CB 3.49Å; P91-C94 PolarHBondContact O-N 3.44Å; P91-C94 PolarHBondContact O-SG 3.17Å; P91-L169 WeakPolarHBondContact O-CD1 3.48Å
92	A	96.1	Very high	98.4	Very high	17 Å²	17	14.2 Å²	14.2	14%	0.14	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-56.6	-33.9	174.9	0	0	0	0	0	113	C94 G95 G585	A92-C94 PolarHBondContact O-N 3.35Å; A92-G95 PolarHBondContact O-N 3.37Å; A92-G585 WeakPolarHBondContact O-CA 3.46Å
93	A	96.2	Very high	98.4	Very high	5 Å²	5	14.3 Å²	14.3	4%	0.041	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-62.3	-2.1	174.7	0	0	0	0	0	115.4	V40 P91 G95 A580 A588	V40-A93 VanDerWaalsContact CG2-C 3.48Å; V40-A93 HydrophobicContact CG2-CB 3.88Å; V40-A93 WeakPolarHBondContact CG2-O 3.24Å; P91-A93 PolarHBondContact O-N 2.89Å; A93-G95 VanDerWaalsContact C-N 3.32Å; A93-A580 HydrophobicContact CB-CB 3.92Å; A93-A588 WeakPolarHBondContact O-CB 3.48Å
94	C	97.9	Very high	98.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-69.3	-32.6	165.5	-57.9	0	0	0	0	111.6	Y37 P91 A92 V96 L169	Y37-C94 HydrophobicContact CD1-CB 3.79Å; Y37-C94 HydrophobicContact CE1-CB 4.19Å; Y37-C94 HydrophobicContact CG-CB 4.45Å; P91-C94 WeakPolarHBondContact O-CB 3.49Å; P91-C94 PolarHBondContact O-N 3.44Å; P91-C94 PolarHBondContact O-SG 3.17Å; A92-C94 PolarHBondContact O-N 3.35Å; C94-V96 CarbonylContact C-O 3.35Å; C94-V96 WeakPolarHBondContact CB-O 3.38Å; C94-V96 PolarHBondContact O-N 3.05Å; C94-V96 VanDerWaalsContact O-O 3.09Å; C94-L169 HydrophobicContact CB-CD1 4.13Å
95	G	97.3	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	70.1	-62.5	-169.4	0	0	0	0	0	112.2	A92 A93 L169 G585 A588	A92-G95 PolarHBondContact O-N 3.37Å; A93-G95 VanDerWaalsContact C-N 3.32Å; G95-L169 WeakPolarHBondContact O-CA 3.4Å; G95-L169 WeakPolarHBondContact O-CB 3.43Å; G95-L169 PolarHBondContact O-N 3.16Å; G95-G585 WeakPolarHBondContact CA-O 3.46Å; G95-A588 VanDerWaalsContact CA-CB 3.47Å; G95-A588 VanDerWaalsContact N-CB 3.3Å
96	V	98.5	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.4	163.8	174.8	0	0	0	0	107.4	Y37 C94 C166 V167 N168 I220 Y223 M224 F589	Y37-V96 WeakPolarHBondContact CE1-O 3.4Å; C94-V96 CarbonylContact C-O 3.35Å; C94-V96 WeakPolarHBondContact CB-O 3.38Å; C94-V96 PolarHBondContact O-N 3.05Å; C94-V96 VanDerWaalsContact O-O 3.09Å; V96-C166 WeakPolarHBondContact CG1-SG 3.27Å; V96-V167 CarbonylContact C-O 3.57Å; V96-V167 WeakPolarHBondContact CA-O 3.36Å; V96-N168 HydrophobicContact CG2-CB 4.44Å; V96-I220 HydrophobicContact CG1-CD1 4.05Å; V96-Y223 HydrophobicContact CG1-CD1 4.04Å; V96-Y223 HydrophobicContact CG1-CE1 3.84Å; V96-Y223 HydrophobicContact CG2-CE1 4.01Å; V96-M224 HydrophobicContact CB-CE 4.18Å; V96-M224 HydrophobicContact CB-CG 4.21Å; V96-M224 HydrophobicContact CG1-CE 4.19Å; V96-M224 HydrophobicContact CG1-CG 4.36Å; V96-M224 VanDerWaalsContact O-CE 3.31Å; V96-M224 WeakPolarHBondContact O-CE 3.36Å; V96-F589 HydrophobicContact CB-CZ 4.16Å; V96-F589 HydrophobicContact CG2-CE2 3.95Å; V96-F589 HydrophobicContact CG2-CZ 4.01Å
97	Y	98.8	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.9	173.5	176.9	-93.8	0	0	0	110.5	Y37 L47 P48 I90 F99 C166 V167 P196 F211	Y37-Y97 HydrophobicContact CE1-CD2 4.07Å; Y37-Y97 HydrophobicContact CE2-CD2 4.05Å; Y37-Y97 HydrophobicContact CE2-CE2 4.09Å; Y37-Y97 AromaticContact CZ-CD2 3.59Å; Y37-Y97 AromaticContact CZ-CE2 3.99Å; Y37-Y97 WeakPolarHBondContact OH-CD2 3.4Å; L47-Y97 HydrophobicContact CD2-CE2 4.47Å; P48-Y97 HydrophobicContact CG-CE1 4.48Å; P48-Y97 HydrophobicContact CG-CE2 3.97Å; P48-Y97 WeakPolarHBondContact CG-OH 3.39Å; I90-Y97 HydrophobicContact CB-CD1 4.47Å; I90-Y97 HydrophobicContact CB-CG 4.39Å; I90-Y97 HydrophobicContact CD1-CD1 3.43Å; I90-Y97 VanDerWaalsContact CD1-CD1 3.43Å; I90-Y97 HydrophobicContact CD1-CE1 3.91Å; I90-Y97 HydrophobicContact CD1-CG 4.12Å; I90-Y97 HydrophobicContact CG1-CD1 3.62Å; I90-Y97 HydrophobicContact CG1-CE1 3.89Å; I90-Y97 HydrophobicContact CG1-CG 4.01Å; I90-Y97 HydrophobicContact CG2-CD1 3.98Å; I90-Y97 HydrophobicContact CG2-CD2 3.98Å; I90-Y97 HydrophobicContact CG2-CG 3.49Å; I90-Y97 VanDerWaalsContact CG2-CG 3.49Å; Y97-F99 HydrophobicContact CD1-CD1 4.4Å; Y97-F99 HydrophobicContact CE1-CB 4.12Å; Y97-F99 AromaticContact CE1-CD1 3.7Å; Y97-F99 HydrophobicContact CE1-CD1 3.7Å; Y97-F99 HydrophobicContact CE1-CG 4.3Å; Y97-C166 CarbonylContact O-C 3.58Å; Y97-C166 WeakPolarHBondContact O-CA 3.33Å; Y97-V167 PolarHBondContact N-O 3.11Å; Y97-V167 PolarHBondContact O-N 3.47Å; Y97-P196 HydrophobicContact CE1-CG 3.95Å; Y97-F211 WeakPolarHBondContact OH-CD1 3.41Å
98	Y	98.9	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.2	-178.8	-170	-113.5	0	0	0	112.1	Y37 E100 G164 C165 C166 T177 F216 F218 I220	Y37-Y98 PolarHBondContact OH-N 3.24Å; Y37-Y98 PolarHBondContact OH-O 3Å; Y37-Y98 VanDerWaalsContact OH-O 3.12Å; Y98-E100 HydrophobicContact CE1-CG 3.56Å; Y98-E100 WeakPolarHBondContact CE1-OE1 3.42Å; Y98-E100 VanDerWaalsContact OH-CG 3.3Å; Y98-E100 WeakPolarHBondContact OH-CG 3.3Å; Y98-E100 PolarHBondContact OH-OE1 3.29Å; Y98-G164 WeakPolarHBondContact OH-CA 3.48Å; Y98-C165 WeakPolarHBondContact CD2-O 3.48Å; Y98-C166 HydrophobicContact CD2-CB 3.61Å; Y98-C166 HydrophobicContact CE2-CB 4.08Å; Y98-T177 HydrophobicContact CE2-CG2 4.01Å; Y98-T177 PolarHBondContact OH-OG1 3.35Å; Y98-F216 HydrophobicContact CD1-CB 4.32Å; Y98-F216 AromaticContact CD1-CD1 3.7Å; Y98-F216 HydrophobicContact CD1-CD1 3.7Å; Y98-F216 AromaticContact CD1-CD2 3.79Å; Y98-F216 HydrophobicContact CD1-CD2 3.79Å; Y98-F216 AromaticContact CD1-CE1 3.84Å; Y98-F216 HydrophobicContact CD1-CE1 3.84Å; Y98-F216 AromaticContact CD1-CE2 3.92Å; Y98-F216 HydrophobicContact CD1-CE2 3.92Å; Y98-F216 AromaticContact CD1-CG 3.67Å; Y98-F216 HydrophobicContact CD1-CG 3.67Å; Y98-F216 AromaticContact CD1-CZ 3.94Å; Y98-F216 HydrophobicContact CD1-CZ 3.94Å; Y98-F216 HydrophobicContact CE1-CB 3.87Å; Y98-F216 AromaticContact CE1-CD1 3.63Å; Y98-F216 HydrophobicContact CE1-CD1 3.63Å; Y98-F216 HydrophobicContact CE1-CD2 4.23Å; Y98-F216 HydrophobicContact CE1-CE1 4.17Å; Y98-F216 AromaticContact CE1-CG 3.65Å; Y98-F216 HydrophobicContact CE1-CG 3.65Å; Y98-F218 HydrophobicContact CE1-CB 4.02Å; Y98-F218 HydrophobicContact CE1-CD1 4.3Å; Y98-F218 HydrophobicContact CE2-CD1 4.07Å; Y98-F218 AromaticContact CZ-CD1 3.89Å; Y98-F218 WeakPolarHBondContact OH-CB 3.27Å; Y98-I220 HydrophobicContact CD1-CB 3.92Å; Y98-I220 HydrophobicContact CD1-CD1 4.39Å; Y98-I220 HydrophobicContact CD1-CG1 4.07Å; Y98-I220 HydrophobicContact CD1-CG2 4.24Å; Y98-I220 HydrophobicContact CD2-CD1 4.07Å; Y98-I220 HydrophobicContact CE1-CB 4.46Å; Y98-I220 HydrophobicContact CG-CB 4.2Å; Y98-I220 HydrophobicContact CG-CD1 3.8Å; Y98-I220 HydrophobicContact CG-CG1 3.86Å
99	F	98.9	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.7	168.2	74.2	-76.4	0	0	0	110	W51 Y97 V101 I114 L116 G164 C165 P196 N210 F211	W51-F99 HydrophobicContact CH2-CE2 4.39Å; Y97-F99 HydrophobicContact CD1-CD1 4.4Å; Y97-F99 HydrophobicContact CE1-CB 4.12Å; Y97-F99 AromaticContact CE1-CD1 3.7Å; Y97-F99 HydrophobicContact CE1-CD1 3.7Å; Y97-F99 HydrophobicContact CE1-CG 4.3Å; F99-V101 HydrophobicContact CD2-CG2 3.94Å; F99-V101 HydrophobicContact CE2-CG2 3.71Å; F99-I114 HydrophobicContact CE2-CG2 4.39Å; F99-I114 HydrophobicContact CZ-CG2 4.49Å; F99-L116 HydrophobicContact CE1-CD2 4.31Å; F99-G164 CarbonylContact O-C 3.54Å; F99-G164 WeakPolarHBondContact O-CA 3.43Å; F99-C165 HydrophobicContact CD1-CB 3.98Å; F99-C165 HydrophobicContact CE1-CB 3.41Å; F99-C165 VanDerWaalsContact CE1-CB 3.41Å; F99-C165 HydrophobicContact CE2-CB 4.48Å; F99-C165 HydrophobicContact CZ-CB 3.69Å; F99-C165 PolarHBondContact N-O 3.34Å; F99-C165 PolarHBondContact O-N 3Å; F99-P196 HydrophobicContact CD1-CB 4.12Å; F99-P196 HydrophobicContact CD1-CG 4.29Å; F99-P196 HydrophobicContact CD2-CB 4.31Å; F99-P196 HydrophobicContact CE1-CB 3.75Å; F99-P196 HydrophobicContact CE1-CG 4.23Å; F99-P196 HydrophobicContact CE2-CB 4Å; F99-P196 HydrophobicContact CG-CB 4.37Å; F99-P196 HydrophobicContact CZ-CB 3.7Å; F99-N210 WeakPolarHBondContact CA-O 3.5Å; F99-F211 HydrophobicContact CB-CD1 3.85Å; F99-F211 HydrophobicContact CB-CE1 4.27Å; F99-F211 HydrophobicContact CD2-CD1 4.45Å; F99-F211 HydrophobicContact CD2-CE1 4.04Å; F99-F211 HydrophobicContact CG-CD1 4.34Å; F99-F211 HydrophobicContact CG-CE1 4.26Å
100	E	99	Very high	98.2	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.023	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.5	177	-80.1	176.2	174.5	0	0	111.3	Y98 V162 A209 N210 F216 V217 F218	Y98-E100 HydrophobicContact CE1-CG 3.56Å; Y98-E100 WeakPolarHBondContact CE1-OE1 3.42Å; Y98-E100 VanDerWaalsContact OH-CG 3.3Å; Y98-E100 WeakPolarHBondContact OH-CG 3.3Å; Y98-E100 PolarHBondContact OH-OE1 3.29Å; E100-V162 HydrophobicContact CB-CG1 3.86Å; E100-V162 HydrophobicContact CG-CG1 4Å; E100-A209 CarbonylContact O-C 3.6Å; E100-A209 WeakPolarHBondContact O-CA 3.41Å; E100-N210 HydrophobicContact CB-CB 4.33Å; E100-N210 PolarHBondContact N-O 3.42Å; E100-N210 PolarHBondContact O-N 3.04Å; E100-F216 HydrophobicContact CB-CD1 4.08Å; E100-F216 HydrophobicContact CB-CE1 4.39Å; E100-F216 HydrophobicContact CG-CD1 3.81Å; E100-F216 HydrophobicContact CG-CE1 4.42Å; E100-F216 WeakPolarHBondContact OE2-CA 3.24Å; E100-V217 PolarHBondContact OE1-N 3.08Å; E100-V217 PolarHBondContact OE2-N 3.36Å; E100-F218 PolarHBondContact OE1-N 3.02Å
101	V	99	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116.9	176	178.3	0	0	0	0	108.4	F99 I114 I163 V198 V207 D208	F99-V101 HydrophobicContact CD2-CG2 3.94Å; F99-V101 HydrophobicContact CE2-CG2 3.71Å; V101-I114 HydrophobicContact CB-CD1 3.93Å; V101-I114 HydrophobicContact CB-CG1 4.4Å; V101-I114 HydrophobicContact CB-CG2 4.34Å; V101-I114 HydrophobicContact CG1-CD1 3.9Å; V101-I114 HydrophobicContact CG1-CG1 4.25Å; V101-I114 HydrophobicContact CG2-CG2 3.96Å; V101-I163 PolarHBondContact N-O 3.17Å; V101-I163 PolarHBondContact O-N 2.89Å; V101-V198 HydrophobicContact CG1-CG2 4.16Å; V101-V198 HydrophobicContact CG2-CG2 3.92Å; V101-V207 HydrophobicContact CG1-CB 3.64Å; V101-V207 HydrophobicContact CG1-CG1 4.26Å; V101-V207 HydrophobicContact CG1-CG2 3.66Å; V101-D208 CarbonylContact C-O 3.59Å; V101-D208 WeakPolarHBondContact CA-O 3.38Å
102	K	98.9	Very high	98.3	Very high	104 Å²	104	27.7 Å²	27.7	45%	0.452	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.8	175.8	-177	168.5	-175	167.7	0	110.4	I104 V162 V207 D208	K102-I104 HydrophobicContact CB-CD1 4.5Å; K102-I104 HydrophobicContact CD-CD1 4.14Å; K102-I104 HydrophobicContact CG-CD1 4.03Å; K102-I104 PolarHBondContact O-N 2.96Å; K102-V162 HydrophobicContact CB-CG2 4.1Å; K102-V162 HydrophobicContact CD-CG2 4.21Å; K102-V162 HydrophobicContact CG-CG2 3.96Å; K102-V207 CarbonylContact O-C 3.57Å; K102-V207 VanDerWaalsContact O-CA 3.24Å; K102-V207 WeakPolarHBondContact O-CA 3.32Å; K102-V207 WeakPolarHBondContact O-CB 3.35Å; K102-D208 PolarHBondContact N-O 2.98Å; K102-D208 PolarHBondContact O-N 3.04Å
103	I	98.9	Very high	98.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	102.7	175.1	-46.2	-54.8	0	0	0	109.2	M112 I114 F157 T158 G160 D161 V207	I103-M112 HydrophobicContact CD1-CE 4.29Å; I103-M112 HydrophobicContact CD1-SD 4.16Å; I103-M112 HydrophobicContact CG2-CE 3.77Å; I103-M112 HydrophobicContact CG2-SD 3.75Å; I103-I114 HydrophobicContact CD1-CD1 4.11Å; I103-F157 HydrophobicContact CD1-CD2 3.96Å; I103-F157 HydrophobicContact CD1-CE2 4Å; I103-F157 HydrophobicContact CG1-CD2 4.05Å; I103-T158 VanDerWaalsContact CB-O 3.31Å; I103-T158 WeakPolarHBondContact CB-O 3.1Å; I103-G160 PolarHBondContact O-N 3.34Å; I103-D161 HydrophobicContact CG1-CB 4.43Å; I103-D161 PolarHBondContact N-O 3.18Å; I103-V207 HydrophobicContact CD1-CG1 3.69Å
104	I	98.9	Very high	98.6	Very high	56 Å²	56	26.7 Å²	26.7	29%	0.287	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-34.9	177.9	-56.2	-59.2	0	0	0	110.6	K102 V206 D208	K102-I104 HydrophobicContact CB-CD1 4.5Å; K102-I104 HydrophobicContact CD-CD1 4.14Å; K102-I104 HydrophobicContact CG-CD1 4.03Å; K102-I104 PolarHBondContact O-N 2.96Å; I104-V206 WeakPolarHBondContact CA-O 3.4Å; I104-V206 HydrophobicContact CB-CB 4.12Å; I104-V206 HydrophobicContact CB-CG1 3.92Å; I104-V206 WeakPolarHBondContact CB-O 3.34Å; I104-V206 HydrophobicContact CG1-CG1 4.4Å; I104-V206 HydrophobicContact CG2-CB 4.43Å; I104-V206 HydrophobicContact CG2-CG1 4.12Å; I104-V206 PolarHBondContact N-O 3.38Å; I104-D208 HydrophobicContact CD1-CB 4.2Å; I104-D208 VanDerWaalsContact CD1-OD2 3.29Å; I104-D208 WeakPolarHBondContact CD1-OD2 3.35Å; I104-D208 HydrophobicContact CG1-CB 4.11Å; I104-D208 WeakPolarHBondContact CG1-OD2 3.21Å
105	S	98.8	Very high	98.6	Very high	38 Å²	38	26.7 Å²	26.7	27%	0.266	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	129.7	174.1	167.9	0	0	0	0	109.6	G107 G204 E205 V206	S105-G107 PolarHBondContact O-N 2.91Å; S105-G107 PolarHBondContact OG-N 3.19Å; S105-G204 VanDerWaalsContact CB-O 3.29Å; S105-G204 WeakPolarHBondContact CB-O 3.24Å; S105-G204 PolarHBondContact OG-O 3.24Å; S105-E205 WeakPolarHBondContact O-CA 3.42Å; S105-V206 PolarHBondContact N-O 3.44Å; S105-V206 PolarHBondContact O-N 2.92Å
106	K	98.7	Very high	98.7	Very high	72 Å²	72	26.7 Å²	26.7	31%	0.313	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-5.2	169.9	76.1	160.5	-139.5	141.8	0	114.2	R108 D109 G110 M112 T158 T159 E205	K106-R108 PolarHBondContact NZ-O 3.36Å; K106-D109 PolarHBondContact NZ-O 3.35Å; K106-G110 WeakPolarHBondContact O-CA 3.46Å; K106-G110 PolarHBondContact O-N 3.25Å; K106-G110 VanDerWaalsContact O-N 3.09Å; K106-M112 HydrophobicContact CB-CE 3.96Å; K106-T158 VanDerWaalsContact CD-OG1 3.26Å; K106-T158 WeakPolarHBondContact CD-OG1 3.36Å; K106-T159 PolarHBondContact N-OG1 3.28Å; K106-E205 WeakPolarHBondContact O-CG 3.42Å
107	G	98.3	Very high	98.7	Very high	24 Å²	24	26.7 Å²	26.7	25%	0.247	13%	0.128	C	C	.	.			trans	58.6	-138.1	-172.6	0	0	0	0	0	113	S105 P203 G204	S105-G107 PolarHBondContact O-N 2.91Å; S105-G107 PolarHBondContact OG-N 3.19Å; G107-P203 WeakPolarHBondContact CA-O 3.48Å; G107-G204 VanDerWaalsContact CA-O 3.3Å; G107-G204 WeakPolarHBondContact CA-O 3.28Å; G107-G204 PolarHBondContact N-O 2.88Å
108	R	98.1	Very high	98.7	Very high	122 Å²	122	27.7 Å²	27.7	46%	0.46	14%	0.137	S	C	.	.	S	Bend	trans	-71.4	-64.4	-179.3	-167.1	-173.9	67.1	-140.7	-4.5	111.3	G75 K106 T202 P203	G75-R108 VanDerWaalsContact O-CZ 3.3Å; G75-R108 PolarHBondContact O-NH1 3.34Å; G75-R108 PolarHBondContact O-NH2 3.18Å; K106-R108 PolarHBondContact NZ-O 3.36Å; R108-T202 PolarHBondContact N-OG1 2.96Å; R108-P203 PolarHBondContact N-O 3.42Å; R108-P203 VanDerWaalsContact N-O 3.07Å
109	D	98.1	Very high	98.7	Very high	53 Å²	53	34.7 Å²	34.7	28%	0.283	17%	0.169	S	C	.	.	S	Bend	trans	-103.3	-43.7	-170.4	-52.7	-36.7	0	0	0	111.4	K106 Y111 T202	K106-D109 PolarHBondContact NZ-O 3.35Å; D109-Y111 HydrophobicContact CB-CD1 4.33Å; D109-Y111 HydrophobicContact CB-CD2 3.89Å; D109-Y111 HydrophobicContact CB-CE1 4.13Å; D109-Y111 HydrophobicContact CB-CE2 3.65Å; D109-Y111 HydrophobicContact CB-CG 4.21Å; D109-Y111 WeakPolarHBondContact OD2-CE2 3.44Å; D109-T202 HydrophobicContact CB-CG2 3.97Å; D109-T202 PolarHBondContact N-OG1 3.02Å; D109-T202 WeakPolarHBondContact OD2-CG2 3.34Å
110	G	98	Very high	98.6	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	20%	0.202	C	C	.	.			trans	100.7	28.5	-176.8	0	0	0	0	0	113.6	K106 M112 E205	K106-G110 WeakPolarHBondContact O-CA 3.46Å; K106-G110 PolarHBondContact O-N 3.25Å; K106-G110 VanDerWaalsContact O-N 3.09Å; G110-M112 PolarHBondContact O-N 3.35Å; G110-E205 PolarHBondContact N-OE1 2.86Å
111	Y	98.5	Very high	98.6	Very high	81 Å²	81	38.4 Å²	38.4	32%	0.318	21%	0.205	S	C	.	.			trans	-76.3	67.3	179.1	-63.4	-33.3	0	0	0	110.3	D109 D139 Q201 T202 E205	D109-Y111 HydrophobicContact CB-CD1 4.33Å; D109-Y111 HydrophobicContact CB-CD2 3.89Å; D109-Y111 HydrophobicContact CB-CE1 4.13Å; D109-Y111 HydrophobicContact CB-CE2 3.65Å; D109-Y111 HydrophobicContact CB-CG 4.21Å; D109-Y111 WeakPolarHBondContact OD2-CE2 3.44Å; Y111-D139 HydrophobicContact CD1-CB 3.72Å; Y111-D139 WeakPolarHBondContact CD1-OD2 3.3Å; Y111-D139 HydrophobicContact CE1-CB 3.95Å; Y111-D139 WeakPolarHBondContact CE1-OD2 3.3Å; Y111-Q201 HydrophobicContact CD2-CG 4.36Å; Y111-Q201 PolarHBondContact O-N 3.49Å; Y111-T202 HydrophobicContact CD2-CG2 3.36Å; Y111-T202 HydrophobicContact CE2-CG2 4.09Å; Y111-T202 HydrophobicContact CG-CG2 4.09Å; Y111-E205 PolarHBondContact N-OE1 3.37Å
112	M	98.8	Very high	98.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.226	C	C	.	.			trans	-113.1	119.9	-173.9	-52.2	171	-72.4	0	0	109.1	I103 K106 G110 H137 G138 F157 G199 L200 E205 V207	I103-M112 HydrophobicContact CD1-CE 4.29Å; I103-M112 HydrophobicContact CD1-SD 4.16Å; I103-M112 HydrophobicContact CG2-CE 3.77Å; I103-M112 HydrophobicContact CG2-SD 3.75Å; K106-M112 HydrophobicContact CB-CE 3.96Å; G110-M112 PolarHBondContact O-N 3.35Å; M112-H137 WeakPolarHBondContact O-CA 3.39Å; M112-G138 PolarHBondContact O-N 3.47Å; M112-F157 HydrophobicContact CB-CE2 4.44Å; M112-F157 HydrophobicContact CE-CD2 4.44Å; M112-F157 HydrophobicContact CE-CE2 4.45Å; M112-G199 CarbonylContact C-O 3.55Å; M112-G199 WeakPolarHBondContact CA-O 3.45Å; M112-L200 HydrophobicContact CB-CD2 4.06Å; M112-L200 HydrophobicContact CG-CD2 3.82Å; M112-E205 HydrophobicContact CG-CB 4.44Å; M112-E205 HydrophobicContact CG-CG 3.94Å; M112-E205 HydrophobicContact SD-CG 4.29Å; M112-V207 HydrophobicContact SD-CG1 4.14Å
113	G	98.8	Very high	98.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.9	175.1	0	0	0	0	0	111.3	Y136 V198 G199	G113-Y136 WeakPolarHBondContact CA-O 3.4Å; G113-V198 WeakPolarHBondContact O-CA 3.47Å; G113-G199 PolarHBondContact N-O 3.4Å; G113-G199 PolarHBondContact O-N 2.9Å
114	I	99	Very high	98.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.4	178.5	-59.6	165.1	0	0	0	108	F99 V101 I103 G135 Y136 F157 I163 Y176 V198	F99-I114 HydrophobicContact CE2-CG2 4.39Å; F99-I114 HydrophobicContact CZ-CG2 4.49Å; V101-I114 HydrophobicContact CB-CD1 3.93Å; V101-I114 HydrophobicContact CB-CG1 4.4Å; V101-I114 HydrophobicContact CB-CG2 4.34Å; V101-I114 HydrophobicContact CG1-CD1 3.9Å; V101-I114 HydrophobicContact CG1-CG1 4.25Å; V101-I114 HydrophobicContact CG2-CG2 3.96Å; I103-I114 HydrophobicContact CD1-CD1 4.11Å; I114-G135 CarbonylContact O-C 3.52Å; I114-G135 WeakPolarHBondContact O-CA 3.47Å; I114-Y136 PolarHBondContact N-O 2.93Å; I114-Y136 PolarHBondContact O-N 3.01Å; I114-F157 HydrophobicContact CD1-CE2 3.74Å; I114-F157 HydrophobicContact CD1-CZ 3.82Å; I114-F157 HydrophobicContact CG1-CE2 4.48Å; I114-F157 HydrophobicContact CG1-CZ 4.3Å; I114-I163 HydrophobicContact CD1-CB 3.67Å; I114-I163 HydrophobicContact CD1-CG1 4.06Å; I114-I163 HydrophobicContact CD1-CG2 3.87Å; I114-Y176 HydrophobicContact CG2-CE1 4.41Å; I114-Y176 WeakPolarHBondContact O-CE1 3.32Å; I114-Y176 PolarHBondContact O-OH 2.92Å; I114-V198 HydrophobicContact CG1-CG2 4.33Å
115	G	98.9	Very high	98.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-130.9	175.7	0	0	0	0	0	114.3	Y134 Y176 T197	G115-Y134 CarbonylContact C-O 3.6Å; G115-Y134 WeakPolarHBondContact CA-O 3.12Å; G115-Y176 WeakPolarHBondContact CA-OH 3.38Å; G115-T197 CarbonylContact C-O 3.49Å; G115-T197 PolarHBondContact N-O 3.41Å; G115-T197 PolarHBondContact O-N 3.11Å
116	L	99	Very high	98.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.7	-166.3	-56	172.8	0	0	0	111.5	I90 F99 S133 Y134 V167 C174 L190 L194 Y195	I90-L116 HydrophobicContact CD1-CD2 3.9Å; F99-L116 HydrophobicContact CE1-CD2 4.31Å; L116-S133 CarbonylContact O-C 3.6Å; L116-S133 WeakPolarHBondContact O-CA 3.49Å; L116-Y134 HydrophobicContact CB-CD2 4.34Å; L116-Y134 PolarHBondContact N-O 2.92Å; L116-Y134 PolarHBondContact O-N 2.89Å; L116-Y134 VanDerWaalsContact O-O 3.1Å; L116-V167 HydrophobicContact CD1-CG1 4.16Å; L116-V167 HydrophobicContact CD1-CG2 3.67Å; L116-V167 HydrophobicContact CD2-CG2 3.77Å; L116-V167 HydrophobicContact CG-CG2 4.28Å; L116-C174 HydrophobicContact CD1-CB 4.45Å; L116-L190 HydrophobicContact CD1-CD1 4.12Å; L116-L194 HydrophobicContact CB-CB 4.2Å; L116-L194 HydrophobicContact CB-CD1 4.09Å; L116-L194 HydrophobicContact CB-CD2 4.5Å; L116-L194 HydrophobicContact CD1-CD1 3.82Å; L116-Y195 VanDerWaalsContact CA-O 3.29Å; L116-Y195 WeakPolarHBondContact CA-O 3.43Å
117	S	98.9	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	147.4	167.7	68.2	0	0	0	0	112.4	R85 H132 Y195 T197	R85-S117 WeakPolarHBondContact CD-OG 3.47Å; R85-S117 WeakPolarHBondContact CG-OG 3.43Å; R85-S117 PolarHBondContact NH1-OG 2.99Å; S117-H132 WeakPolarHBondContact CA-O 3.31Å; S117-Y195 PolarHBondContact N-O 3.26Å; S117-Y195 PolarHBondContact O-N 3.09Å; S117-T197 WeakPolarHBondContact CB-OG1 3.4Å; S117-T197 PolarHBondContact N-OG1 3.27Å; S117-T197 VanDerWaalsContact N-OG1 3.1Å; S117-T197 PolarHBondContact OG-OG1 3.33Å
118	A	98.7	Very high	98.5	Very high	22 Å²	22	35 Å²	35	18%	0.182	18%	0.182	C	C	.	.			trans	-69.3	161.4	172	0	0	0	0	0	111.4	R85 G120 V121 H132 L194	R85-A118 PolarHBondContact NH1-O 3.25Å; A118-G120 PolarHBondContact O-N 3.01Å; A118-V121 HydrophobicContact CB-CG2 4.06Å; A118-V121 WeakPolarHBondContact O-CG2 3.49Å; A118-V121 PolarHBondContact O-N 3.3Å; A118-H132 HydrophobicContact CB-CB 3.76Å; A118-H132 PolarHBondContact N-O 3.24Å; A118-L194 HydrophobicContact CB-CD2 4.2Å
119	Q	98.4	Very high	98.5	Very high	147 Å²	147	30.9 Å²	30.9	69%	0.687	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	138	174.1	-165.7	175.5	13.7	0	0	111	V121 Y195	Q119-V121 PolarHBondContact O-N 3.38Å; Q119-Y195 HydrophobicContact CB-CE2 3.86Å; Q119-Y195 HydrophobicContact CG-CE2 4.4Å
120	G	96.9	Very high	98.5	Very high	66 Å²	66	30.3 Å²	30.3	68%	0.68	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	-4.3	176.2	0	0	0	0	0	115.8	A118 N122	A118-G120 PolarHBondContact O-N 3.01Å; G120-N122 PolarHBondContact O-N 2.95Å
121	V	98.3	Very high	98.5	Very high	17 Å²	17	37.5 Å²	37.5	10%	0.103	19%	0.194	C	C	.	.			trans	-55.9	140	167.7	171.6	0	0	0	0	109.4	R85 A118 Q119 M123 D130 H132	R85-V121 PolarHBondContact NH1-O 3.1Å; R85-V121 PolarHBondContact NH2-O 2.74Å; A118-V121 HydrophobicContact CB-CG2 4.06Å; A118-V121 WeakPolarHBondContact O-CG2 3.49Å; A118-V121 PolarHBondContact O-N 3.3Å; Q119-V121 PolarHBondContact O-N 3.38Å; V121-M123 PolarHBondContact O-N 3.47Å; V121-D130 HydrophobicContact CG1-CB 4.29Å; V121-H132 HydrophobicContact CG2-CB 4.33Å
122	N	98.2	Very high	98.5	Very high	82 Å²	82	37.4 Å²	37.4	44%	0.439	20%	0.196	S	C	.	.			trans	-60.4	125.9	-177.4	179.6	11.3	0	0	0	111.6	G120 N124 R125	G120-N122 PolarHBondContact O-N 2.95Å; N122-N124 PolarHBondContact OD1-N 2.76Å; N122-R125 HydrophobicContact CB-CG 4.22Å
123	M	98.6	Very high	98.5	Very high	16 Å²	16	37.5 Å²	37.5	8%	0.079	20%	0.197	C	C	.	.	S	Bend	trans	-88.6	-5.8	-179.2	-62.7	-74.7	81.7	0	0	113.9	F57 A82 S83 R85 V121 R125 T197	F57-M123 HydrophobicContact CB-CB 3.99Å; F57-M123 WeakPolarHBondContact CB-O 3.42Å; A82-M123 CarbonylContact C-O 3.53Å; A82-M123 WeakPolarHBondContact CA-O 3.47Å; S83-M123 PolarHBondContact N-O 2.99Å; R85-M123 HydrophobicContact CG-CE 4.49Å; R85-M123 HydrophobicContact CG-SD 4.12Å; V121-M123 PolarHBondContact O-N 3.47Å; M123-R125 PolarHBondContact O-N 3.31Å; M123-R125 VanDerWaalsContact O-N 3.09Å; M123-T197 HydrophobicContact CE-CG2 4.21Å
124	N	98.2	Very high	98.5	Very high	48 Å²	48	38.3 Å²	38.3	26%	0.257	20%	0.2	S	C	.	.	S	Bend	trans	-84.8	47.6	172	-167.2	11.2	0	0	0	111.7	F57 K79 A81 N122	F57-N124 HydrophobicContact CD1-CB 4.31Å; F57-N124 HydrophobicContact CD2-CB 3.88Å; F57-N124 HydrophobicContact CE1-CB 4.11Å; F57-N124 WeakPolarHBondContact CE1-OD1 3.39Å; F57-N124 HydrophobicContact CE2-CB 3.67Å; F57-N124 HydrophobicContact CG-CB 4.22Å; F57-N124 HydrophobicContact CZ-CB 3.79Å; F57-N124 VanDerWaalsContact CZ-CG 3.44Å; K79-N124 PolarHBondContact O-OD1 2.97Å; K79-N124 VanDerWaalsContact O-OD1 3.13Å; A81-N124 CarbonylContact O-C 3.1Å; A81-N124 VanDerWaalsContact O-CA 3.26Å; A81-N124 WeakPolarHBondContact O-CA 3.44Å; A81-N124 PolarHBondContact O-OD1 2.71Å; N122-N124 PolarHBondContact OD1-N 2.76Å
125	R	98.3	Very high	98.5	Very high	73 Å²	73	38.2 Å²	38.2	28%	0.275	20%	0.2	S	C	.	.	S	Bend	trans	-156	160.2	-171.5	-54.6	-66.4	-92.9	147.5	2.5	108.8	A81 S83 N122 M123 W129 D130	A81-R125 PolarHBondContact O-N 2.8Å; S83-R125 WeakPolarHBondContact CB-O 3.21Å; S83-R125 PolarHBondContact OG-O 2.95Å; N122-R125 HydrophobicContact CB-CG 4.22Å; M123-R125 PolarHBondContact O-N 3.31Å; M123-R125 VanDerWaalsContact O-N 3.09Å; R125-W129 HydrophobicContact CB-CE3 4.29Å; R125-W129 PolarHBondContact NH2-O 3.33Å; R125-D130 WeakPolarHBondContact CG-OD2 3.35Å; R125-D130 IonicContact CZ-OD1 3.97Å; R125-D130 IonicContact NE-OD1 3.5Å; R125-D130 PolarHBondContact NE-OD1 2.86Å; R125-D130 IonicContact NE-OD2 2.67Å; R125-D130 IonicContact NH2-OD1 2.74Å; R125-D130 PolarHBondContact NH2-OD1 3.4Å
126	L	98.7	Very high	98.5	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.2	C	C	.	.			trans	-82.4	154.2	162.4	-64	-176.1	0	0	0	110.7	A81 W129 H137 Q201	A81-L126 HydrophobicContact CB-CD2 4.14Å; A81-L126 HydrophobicContact CB-CG 3.97Å; L126-W129 HydrophobicContact CB-CD2 4.09Å; L126-W129 HydrophobicContact CB-CE3 4.3Å; L126-W129 HydrophobicContact CB-CH2 4.42Å; L126-W129 HydrophobicContact CB-CZ2 4.23Å; L126-W129 HydrophobicContact CB-CZ3 4.46Å; L126-W129 HydrophobicContact CD1-CH2 4.03Å; L126-W129 HydrophobicContact CD1-CZ2 3.79Å; L126-W129 HydrophobicContact CG-CH2 4.04Å; L126-W129 HydrophobicContact CG-CZ2 4.11Å; L126-W129 HydrophobicContact CG-CZ3 4.32Å; L126-W129 PolarHBondContact O-N 3.16Å; L126-H137 WeakPolarHBondContact CB-CE1 3.16Å; L126-Q201 HydrophobicContact CD2-CB 4.34Å
127	P	98.8	Very high	98.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	141.4	174.9	-26.8	35.9	0	0	0	111.8	Y134 H137 T197	P127-Y134 WeakPolarHBondContact CB-O 3.45Å; P127-H137 PolarHBondContact O-NE2 3.25Å; P127-T197 HydrophobicContact CG-CG2 3.89Å
128	G	98.7	Very high	98.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-28.6	-178.3	0	0	0	0	0	116.2	D130 S133 F144 S146 S147	G128-D130 PolarHBondContact O-N 2.99Å; G128-S133 VanDerWaalsContact CA-C 3.5Å; G128-S133 WeakPolarHBondContact CA-O 3.39Å; G128-S133 PolarHBondContact N-OG 2.98Å; G128-F144 WeakPolarHBondContact CA-O 3.5Å; G128-S146 CarbonylContact O-C 3.44Å; G128-S146 WeakPolarHBondContact O-CA 3.38Å; G128-S146 PolarHBondContact O-N 3.41Å; G128-S146 VanDerWaalsContact O-N 3.17Å; G128-S147 CarbonylContact O-C 3.57Å; G128-S147 PolarHBondContact O-N 3.27Å; G128-S147 VanDerWaalsContact O-O 3.05Å
129	W	98.4	Very high	98.4	Very high	36 Å²	36	40.6 Å²	40.6	14%	0.136	21%	0.21	C	C	.	.	S	Bend	trans	-70.3	-23.9	-172.3	-75.3	-0.5	0	0	0	116.1	P78 A81 R125 L126 H137 F144 S147 G148	P78-W129 HydrophobicContact CB-CH2 4.03Å; P78-W129 HydrophobicContact CB-CZ3 4.34Å; A81-W129 HydrophobicContact CB-CH2 4.33Å; A81-W129 HydrophobicContact CB-CZ3 3.88Å; R125-W129 HydrophobicContact CB-CE3 4.29Å; R125-W129 PolarHBondContact NH2-O 3.33Å; L126-W129 HydrophobicContact CB-CD2 4.09Å; L126-W129 HydrophobicContact CB-CE3 4.3Å; L126-W129 HydrophobicContact CB-CH2 4.42Å; L126-W129 HydrophobicContact CB-CZ2 4.23Å; L126-W129 HydrophobicContact CB-CZ3 4.46Å; L126-W129 HydrophobicContact CD1-CH2 4.03Å; L126-W129 HydrophobicContact CD1-CZ2 3.79Å; L126-W129 HydrophobicContact CG-CH2 4.04Å; L126-W129 HydrophobicContact CG-CZ2 4.11Å; L126-W129 HydrophobicContact CG-CZ3 4.32Å; L126-W129 PolarHBondContact O-N 3.16Å; W129-H137 AromaticContact CD1-CE1 3.94Å; W129-H137 AromaticContact CE2-CE1 3.95Å; W129-H137 AromaticContact NE1-CE1 3.38Å; W129-H137 PolarHBondContact NE1-CE1 3.46Å; W129-F144 AromaticContact CD1-CD1 3.5Å; W129-F144 AromaticContact CD1-CE1 3.88Å; W129-F144 AromaticContact NE1-CD1 3.67Å; W129-F144 AromaticContact NE1-CE1 3.56Å; W129-S147 WeakPolarHBondContact CA-O 3.35Å; W129-S147 CarbonylContact O-C 3.54Å; W129-G148 PolarHBondContact O-N 3.41Å
130	D	98.2	Very high	98.4	Very high	40 Å²	40	36.2 Å²	36.2	21%	0.214	19%	0.191	C	C	.	.	S	Bend	trans	-117.3	158.6	-177.8	-79.1	8.6	0	0	0	110.8	V121 R125 G128 H132 S133 S146	V121-D130 HydrophobicContact CG1-CB 4.29Å; R125-D130 WeakPolarHBondContact CG-OD2 3.35Å; R125-D130 IonicContact CZ-OD1 3.97Å; R125-D130 IonicContact NE-OD1 3.5Å; R125-D130 PolarHBondContact NE-OD1 2.86Å; R125-D130 IonicContact NE-OD2 2.67Å; R125-D130 IonicContact NH2-OD1 2.74Å; R125-D130 PolarHBondContact NH2-OD1 3.4Å; G128-D130 PolarHBondContact O-N 2.99Å; D130-H132 PolarHBondContact O-N 3.33Å; D130-S133 WeakPolarHBondContact O-CB 3.42Å; D130-S133 PolarHBondContact O-N 2.95Å; D130-S146 WeakPolarHBondContact O-CA 3.34Å
131	K	97.9	Very high	98.5	Very high	153 Å²	153	33 Å²	33	67%	0.665	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	137.9	-179.3	-163	-171.7	-179.5	-169.8	0	111.9	S133	K131-S133 PolarHBondContact O-N 2.89Å
132	H	98.2	Very high	98.6	Very high	79 Å²	79	34.9 Å²	34.9	37%	0.366	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	27.1	-173.9	-48.8	-67.4	0	0	0	113.6	S117 A118 V121 D130 S146	S117-H132 WeakPolarHBondContact CA-O 3.31Å; A118-H132 HydrophobicContact CB-CB 3.76Å; A118-H132 PolarHBondContact N-O 3.24Å; V121-H132 HydrophobicContact CG2-CB 4.33Å; D130-H132 PolarHBondContact O-N 3.33Å; H132-S146 PolarHBondContact N-OG 3.37Å
133	S	98.9	Very high	98.6	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.9	170	-155.3	0	0	0	0	109.3	L116 G128 D130 K131 S146	L116-S133 CarbonylContact O-C 3.6Å; L116-S133 WeakPolarHBondContact O-CA 3.49Å; G128-S133 VanDerWaalsContact CA-C 3.5Å; G128-S133 WeakPolarHBondContact CA-O 3.39Å; G128-S133 PolarHBondContact N-OG 2.98Å; D130-S133 WeakPolarHBondContact O-CB 3.42Å; D130-S133 PolarHBondContact O-N 2.95Å; K131-S133 PolarHBondContact O-N 2.89Å; S133-S146 PolarHBondContact N-OG 3.47Å; S133-S146 WeakPolarHBondContact O-CA 3.26Å; S133-S146 PolarHBondContact O-N 2.85Å; S133-S146 PolarHBondContact O-OG 3.13Å
134	Y	98.9	Very high	98.6	Very high	17 Å²	17	31.5 Å²	31.5	7%	0.067	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	132.1	-174.9	-54	-89.7	0	0	0	108.4	G115 L116 P127 F144 F187 L190 P191 L194	G115-Y134 CarbonylContact C-O 3.6Å; G115-Y134 WeakPolarHBondContact CA-O 3.12Å; L116-Y134 HydrophobicContact CB-CD2 4.34Å; L116-Y134 PolarHBondContact N-O 2.92Å; L116-Y134 PolarHBondContact O-N 2.89Å; L116-Y134 VanDerWaalsContact O-O 3.1Å; P127-Y134 WeakPolarHBondContact CB-O 3.45Å; Y134-F144 WeakPolarHBondContact CA-O 3.29Å; Y134-F187 HydrophobicContact CD1-CB 4.35Å; Y134-F187 HydrophobicContact CD1-CD1 4.16Å; Y134-F187 HydrophobicContact CD1-CD2 4.19Å; Y134-F187 AromaticContact CD1-CG 3.97Å; Y134-F187 HydrophobicContact CD1-CG 3.97Å; Y134-F187 HydrophobicContact CG-CD2 4.37Å; Y134-L190 HydrophobicContact CD1-CD2 3.57Å; Y134-L190 HydrophobicContact CD2-CD2 3.95Å; Y134-L190 HydrophobicContact CE1-CD2 3.5Å; Y134-L190 VanDerWaalsContact CE1-CD2 3.5Å; Y134-L190 HydrophobicContact CE2-CD2 3.9Å; Y134-L190 HydrophobicContact CG-CD2 3.81Å; Y134-P191 HydrophobicContact CE2-CG 4.2Å; Y134-P191 WeakPolarHBondContact OH-CD 3.41Å; Y134-L194 HydrophobicContact CD2-CD1 4.11Å; Y134-L194 HydrophobicContact CD2-CD2 4.2Å; Y134-L194 HydrophobicContact CE2-CD1 4.07Å; Y134-L194 HydrophobicContact CE2-CD2 4.01Å
135	G	98.9	Very high	98.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	152.8	-174.6	0	0	0	0	0	114.8	I114 S143 F144 Y176	I114-G135 CarbonylContact O-C 3.52Å; I114-G135 WeakPolarHBondContact O-CA 3.47Å; G135-S143 CarbonylContact O-C 3.58Å; G135-S143 WeakPolarHBondContact O-CA 3.32Å; G135-F144 PolarHBondContact N-O 3.16Å; G135-F144 PolarHBondContact O-N 3.1Å; G135-Y176 WeakPolarHBondContact CA-OH 3.48Å
136	Y	98.9	Very high	98.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.6	171.7	166.8	-140.3	0	0	0	108	G113 I114 G141 H142 Y153 P155 F157 I163 Y176 L183	G113-Y136 WeakPolarHBondContact CA-O 3.4Å; I114-Y136 PolarHBondContact N-O 2.93Å; I114-Y136 PolarHBondContact O-N 3.01Å; Y136-G141 WeakPolarHBondContact CE2-O 3.43Å; Y136-H142 WeakPolarHBondContact CA-O 3.46Å; Y136-Y153 HydrophobicContact CD1-CE1 4.32Å; Y136-Y153 AromaticContact CD2-CD1 3.68Å; Y136-Y153 HydrophobicContact CD2-CD1 3.68Å; Y136-Y153 HydrophobicContact CD2-CE1 4.1Å; Y136-Y153 HydrophobicContact CE1-CE1 4.45Å; Y136-Y153 AromaticContact CE2-CD1 3.86Å; Y136-Y153 HydrophobicContact CE2-CD1 3.86Å; Y136-Y153 HydrophobicContact CE2-CE1 4.24Å; Y136-Y153 HydrophobicContact CG-CD1 4.13Å; Y136-Y153 HydrophobicContact CG-CE1 4.13Å; Y136-P155 WeakPolarHBondContact OH-CD 3.47Å; Y136-P155 PolarHBondContact OH-O 2.65Å; Y136-F157 HydrophobicContact CD1-CD1 4.28Å; Y136-F157 AromaticContact CD1-CE1 3.69Å; Y136-F157 HydrophobicContact CD1-CE1 3.69Å; Y136-F157 HydrophobicContact CD2-CE1 4.08Å; Y136-F157 AromaticContact CE1-CD1 3.73Å; Y136-F157 HydrophobicContact CE1-CD1 3.73Å; Y136-F157 AromaticContact CE1-CE1 3.63Å; Y136-F157 HydrophobicContact CE1-CE1 3.63Å; Y136-F157 HydrophobicContact CE2-CD1 4.18Å; Y136-F157 HydrophobicContact CE2-CE1 4.01Å; Y136-F157 AromaticContact CG-CE1 3.93Å; Y136-F157 HydrophobicContact CG-CE1 3.93Å; Y136-F157 AromaticContact CZ-CD1 3.67Å; Y136-F157 AromaticContact CZ-CE1 3.8Å; Y136-I163 HydrophobicContact CD1-CG2 3.88Å; Y136-I163 HydrophobicContact CE1-CD1 4.3Å; Y136-I163 HydrophobicContact CE1-CG2 3.93Å; Y136-Y176 AromaticContact CD1-CD1 3.73Å; Y136-Y176 HydrophobicContact CD1-CD1 3.73Å; Y136-Y176 HydrophobicContact CD1-CD2 4.08Å; Y136-Y176 HydrophobicContact CD1-CE1 4.32Å; Y136-Y176 AromaticContact CD1-CG 3.58Å; Y136-Y176 HydrophobicContact CD1-CG 3.58Å; Y136-Y176 HydrophobicContact CE1-CG 4.38Å; Y136-Y176 HydrophobicContact CG-CD1 4.36Å; Y136-Y176 HydrophobicContact CG-CD2 4.2Å; Y136-Y176 HydrophobicContact CG-CE2 4.43Å; Y136-Y176 HydrophobicContact CG-CG 4.15Å; Y136-Y176 PolarHBondContact N-OH 3.49Å; Y136-L183 HydrophobicContact CE1-CD1 3.66Å; Y136-L183 VanDerWaalsContact OH-CD1 3.25Å; Y136-L183 WeakPolarHBondContact OH-CD1 3.45Å
137	H	98.9	Very high	98.5	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.7	-166.2	-71.2	-146.8	0	0	0	111.7	M112 L126 P127 W129 G141 H142 F144 F157	M112-H137 WeakPolarHBondContact O-CA 3.39Å; L126-H137 WeakPolarHBondContact CB-CE1 3.16Å; P127-H137 PolarHBondContact O-NE2 3.25Å; W129-H137 AromaticContact CD1-CE1 3.94Å; W129-H137 AromaticContact CE2-CE1 3.95Å; W129-H137 AromaticContact NE1-CE1 3.38Å; W129-H137 PolarHBondContact NE1-CE1 3.46Å; H137-G141 VanDerWaalsContact O-CA 3.31Å; H137-G141 WeakPolarHBondContact O-CA 3.27Å; H137-G141 PolarHBondContact O-N 3.48Å; H137-H142 PolarHBondContact N-O 3.13Å; H137-H142 VanDerWaalsContact N-O 3.09Å; H137-F144 HydrophobicContact CB-CD2 4.31Å; H137-F144 HydrophobicContact CB-CE2 3.86Å; H137-F144 AromaticContact CD2-CD2 3.43Å; H137-F144 VanDerWaalsContact CD2-CD2 3.43Å; H137-F144 WeakPolarHBondContact CD2-CD2 3.38Å; H137-F144 AromaticContact CD2-CE2 3.81Å; H137-F144 AromaticContact CE1-CD2 3.89Å; H137-F144 AromaticContact CE1-CE2 3.97Å; H137-F144 AromaticContact CG-CD2 3.69Å; H137-F144 AromaticContact CG-CE2 3.53Å; H137-F144 AromaticContact ND1-CD2 3.99Å; H137-F144 AromaticContact ND1-CE2 3.68Å; H137-F144 AromaticContact NE2-CD2 3.59Å; H137-F144 AromaticContact NE2-CG 3.97Å; H137-F157 VanDerWaalsContact C-CE1 3.5Å
138	G	98.7	Very high	98.3	Very high	3 Å²	3	35 Å²	35	3%	0.031	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-28.6	-166.9	0	0	0	0	0	115.6	M112 T156 F157	M112-G138 PolarHBondContact O-N 3.47Å; G138-T156 CarbonylContact O-C 3.58Å; G138-T156 WeakPolarHBondContact O-CA 3.5Å; G138-T156 WeakPolarHBondContact O-CB 3.33Å; G138-F157 VanDerWaalsContact CA-CE1 3.44Å; G138-F157 VanDerWaalsContact CA-CE2 3.42Å; G138-F157 VanDerWaalsContact N-CZ 3.26Å; G138-F157 PolarHBondContact O-N 3.4Å
139	D	98.4	Very high	98.2	Very high	65 Å²	65	39.6 Å²	39.6	35%	0.348	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-32.9	-176.5	58.9	-66.4	0	0	0	113.6	Y111 T156	Y111-D139 HydrophobicContact CD1-CB 3.72Å; Y111-D139 WeakPolarHBondContact CD1-OD2 3.3Å; Y111-D139 HydrophobicContact CE1-CB 3.95Å; Y111-D139 WeakPolarHBondContact CE1-OD2 3.3Å; D139-T156 VanDerWaalsContact O-CG2 3.24Å; D139-T156 WeakPolarHBondContact O-CG2 3.47Å
140	D	98.4	Very high	98.2	Very high	54 Å²	54	38.6 Å²	38.6	29%	0.289	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-14.2	-176.7	70.2	1.5	0	0	0	114.2	H142	D140-H142 PolarHBondContact O-CE1 3.35Å; D140-H142 PolarHBondContact O-N 2.99Å; D140-H142 PolarHBondContact O-ND1 2.88Å; D140-H142 WeakPolarHBondContact OD1-CB 3.36Å; D140-H142 IonicContact OD1-CG 3.88Å; D140-H142 PolarHBondContact OD1-N 2.94Å; D140-H142 IonicContact OD1-ND1 2.75Å; D140-H142 WeakPolarHBondContact OD2-CB 3.45Å; D140-H142 IonicContact OD2-CG 2.7Å; D140-H142 IonicContact OD2-ND1 3.09Å
141	G	98.7	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.			trans	71	10.6	-176	0	0	0	0	0	114.6	Y136 H137 G154 P155	Y136-G141 WeakPolarHBondContact CE2-O 3.43Å; H137-G141 VanDerWaalsContact O-CA 3.31Å; H137-G141 WeakPolarHBondContact O-CA 3.27Å; H137-G141 PolarHBondContact O-N 3.48Å; G141-G154 PolarHBondContact O-N 3.3Å; G141-P155 WeakPolarHBondContact CA-O 3.44Å
142	H	98.9	Very high	98.2	Very high	56 Å²	56	40 Å²	40	26%	0.259	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	152.2	-175.4	-70.6	53.6	0	0	0	112.2	Y136 H137 D140 F144 Q151	Y136-H142 WeakPolarHBondContact CA-O 3.46Å; H137-H142 PolarHBondContact N-O 3.13Å; H137-H142 VanDerWaalsContact N-O 3.09Å; D140-H142 PolarHBondContact O-CE1 3.35Å; D140-H142 PolarHBondContact O-N 2.99Å; D140-H142 PolarHBondContact O-ND1 2.88Å; D140-H142 WeakPolarHBondContact OD1-CB 3.36Å; D140-H142 IonicContact OD1-CG 3.88Å; D140-H142 PolarHBondContact OD1-N 2.94Å; D140-H142 IonicContact OD1-ND1 2.75Å; D140-H142 WeakPolarHBondContact OD2-CB 3.45Å; D140-H142 IonicContact OD2-CG 2.7Å; D140-H142 IonicContact OD2-ND1 3.09Å; H142-F144 HydrophobicContact CB-CD2 4.43Å; H142-F144 HydrophobicContact CB-CE2 3.81Å; H142-F144 HydrophobicContact CB-CZ 4.38Å; H142-Q151 CarbonylContact C-O 3.57Å; H142-Q151 WeakPolarHBondContact CA-O 3.36Å; H142-Q151 VanDerWaalsContact CB-O 3.28Å; H142-Q151 WeakPolarHBondContact CB-O 3.4Å
143	S	98.8	Very high	98.3	Very high	12 Å²	12	38.5 Å²	38.5	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138	167.5	70.6	0	0	0	0	110.7	G135 G150 Q151	G135-S143 CarbonylContact O-C 3.58Å; G135-S143 WeakPolarHBondContact O-CA 3.32Å; S143-G150 CarbonylContact O-C 3.55Å; S143-G150 VanDerWaalsContact O-CA 3.27Å; S143-G150 WeakPolarHBondContact O-CA 3.44Å; S143-Q151 PolarHBondContact N-O 3.41Å; S143-Q151 PolarHBondContact O-N 3.46Å
144	F	98.8	Very high	98.3	Very high	14 Å²	14	39.5 Å²	39.5	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	109.5	-178.3	-69.5	-101.1	0	0	0	108.1	G128 W129 Y134 G135 H137 H142 G150	G128-F144 WeakPolarHBondContact CA-O 3.5Å; W129-F144 AromaticContact CD1-CD1 3.5Å; W129-F144 AromaticContact CD1-CE1 3.88Å; W129-F144 AromaticContact NE1-CD1 3.67Å; W129-F144 AromaticContact NE1-CE1 3.56Å; Y134-F144 WeakPolarHBondContact CA-O 3.29Å; G135-F144 PolarHBondContact N-O 3.16Å; G135-F144 PolarHBondContact O-N 3.1Å; H137-F144 HydrophobicContact CB-CD2 4.31Å; H137-F144 HydrophobicContact CB-CE2 3.86Å; H137-F144 AromaticContact CD2-CD2 3.43Å; H137-F144 VanDerWaalsContact CD2-CD2 3.43Å; H137-F144 WeakPolarHBondContact CD2-CD2 3.38Å; H137-F144 AromaticContact CD2-CE2 3.81Å; H137-F144 AromaticContact CE1-CD2 3.89Å; H137-F144 AromaticContact CE1-CE2 3.97Å; H137-F144 AromaticContact CG-CD2 3.69Å; H137-F144 AromaticContact CG-CE2 3.53Å; H137-F144 AromaticContact ND1-CD2 3.99Å; H137-F144 AromaticContact ND1-CE2 3.68Å; H137-F144 AromaticContact NE2-CD2 3.59Å; H137-F144 AromaticContact NE2-CG 3.97Å; H142-F144 HydrophobicContact CB-CD2 4.43Å; H142-F144 HydrophobicContact CB-CE2 3.81Å; H142-F144 HydrophobicContact CB-CZ 4.38Å; F144-G150 VanDerWaalsContact CE1-CA 3.5Å
145	C	98.5	Very high	98.2	Very high	65 Å²	65	41.6 Å²	41.6	44%	0.439	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	93.2	-176	-175.7	0	0	0	0	110.4	S147 F187	C145-S147 PolarHBondContact O-N 3.34Å; C145-S147 VanDerWaalsContact O-N 3.09Å; C145-F187 HydrophobicContact CB-CD1 3.68Å; C145-F187 HydrophobicContact CB-CE1 3.71Å
146	S	98.1	Very high	98.2	Very high	39 Å²	39	45.3 Å²	45.3	27%	0.273	28%	0.282	S	S	.	.	S	Bend	trans	50.9	33.4	-180	-71.6	0	0	0	0	114.5	G128 D130 H132 S133	G128-S146 CarbonylContact O-C 3.44Å; G128-S146 WeakPolarHBondContact O-CA 3.38Å; G128-S146 PolarHBondContact O-N 3.41Å; G128-S146 VanDerWaalsContact O-N 3.17Å; D130-S146 WeakPolarHBondContact O-CA 3.34Å; H132-S146 PolarHBondContact N-OG 3.37Å; S133-S146 PolarHBondContact N-OG 3.47Å; S133-S146 WeakPolarHBondContact O-CA 3.26Å; S133-S146 PolarHBondContact O-N 2.85Å; S133-S146 PolarHBondContact O-OG 3.13Å
147	S	97	Very high	98.2	Very high	47 Å²	47	45.6 Å²	45.6	33%	0.329	28%	0.283	S	S	.	.	S	Bend	trans	-153.4	141.6	-170.7	177.6	0	0	0	0	110.6	G128 W129 C145 T149	G128-S147 CarbonylContact O-C 3.57Å; G128-S147 PolarHBondContact O-N 3.27Å; G128-S147 VanDerWaalsContact O-O 3.05Å; W129-S147 WeakPolarHBondContact CA-O 3.35Å; W129-S147 CarbonylContact O-C 3.54Å; C145-S147 PolarHBondContact O-N 3.34Å; C145-S147 VanDerWaalsContact O-N 3.09Å; S147-T149 PolarHBondContact O-N 2.71Å; S147-T149 PolarHBondContact OG-N 3.03Å; S147-T149 VanDerWaalsContact OG-N 3.13Å
148	G	94.3	Very high	98.2	Very high	48 Å²	48	48.4 Å²	48.4	50%	0.495	30%	0.3	S	S	.	.	S	Bend	trans	-73.4	-3.7	170.7	0	0	0	0	0	114.5	W129	W129-G148 PolarHBondContact O-N 3.41Å
149	T	97.3	Very high	98.2	Very high	97 Å²	97	51.9 Å²	51.9	60%	0.595	32%	0.321	S	S	*	.	S	Bend	trans	-104.8	113.2	175.8	-53.6	0	0	0	0	109.4	S147	S147-T149 PolarHBondContact O-N 2.71Å; S147-T149 PolarHBondContact OG-N 3.03Å; S147-T149 VanDerWaalsContact OG-N 3.13Å
150	G	97.5	Very high	98.3	Very high	15 Å²	15	51 Å²	51	16%	0.155	33%	0.327	C	S	.	.			trans	-73.2	162.1	177.4	0	0	0	0	0	113	S143 F144	S143-G150 CarbonylContact O-C 3.55Å; S143-G150 VanDerWaalsContact O-CA 3.27Å; S143-G150 WeakPolarHBondContact O-CA 3.44Å; F144-G150 VanDerWaalsContact CE1-CA 3.5Å
151	Q	98.4	Very high	98.3	Very high	116 Å²	116	49.4 Å²	49.4	54%	0.542	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.6	170.6	-62.6	-58.5	-56.7	0	0	109.8	H142 S143 Y153	H142-Q151 CarbonylContact C-O 3.57Å; H142-Q151 WeakPolarHBondContact CA-O 3.36Å; H142-Q151 VanDerWaalsContact CB-O 3.28Å; H142-Q151 WeakPolarHBondContact CB-O 3.4Å; S143-Q151 PolarHBondContact N-O 3.41Å; S143-Q151 PolarHBondContact O-N 3.46Å; Q151-Y153 PolarHBondContact O-N 3.11Å
152	P	98.7	Very high	98.3	Very high	106 Å²	106	50.2 Å²	50.2	69%	0.688	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56	129.4	174	-24.3	33.8	0	0	0	110.7
153	Y	98.8	Very high	98.3	Very high	47 Å²	47	47.6 Å²	47.6	18%	0.184	31%	0.312	C	S	.	.			trans	-141.2	-62.1	-173.4	167.6	-111.1	0	0	0	112.5	Y136 Q151 Y176 L183 G184 A186	Y136-Y153 HydrophobicContact CD1-CE1 4.32Å; Y136-Y153 AromaticContact CD2-CD1 3.68Å; Y136-Y153 HydrophobicContact CD2-CD1 3.68Å; Y136-Y153 HydrophobicContact CD2-CE1 4.1Å; Y136-Y153 HydrophobicContact CE1-CE1 4.45Å; Y136-Y153 AromaticContact CE2-CD1 3.86Å; Y136-Y153 HydrophobicContact CE2-CD1 3.86Å; Y136-Y153 HydrophobicContact CE2-CE1 4.24Å; Y136-Y153 HydrophobicContact CG-CD1 4.13Å; Y136-Y153 HydrophobicContact CG-CE1 4.13Å; Q151-Y153 PolarHBondContact O-N 3.11Å; Y153-Y176 AromaticContact CE1-CD2 3.63Å; Y153-Y176 HydrophobicContact CE1-CD2 3.63Å; Y153-Y176 HydrophobicContact CE1-CG 4.22Å; Y153-Y176 AromaticContact CZ-CD2 3.93Å; Y153-Y176 PolarHBondContact OH-N 3.11Å; Y153-L183 HydrophobicContact CE1-CB 4.23Å; Y153-L183 HydrophobicContact CE1-CD1 4.25Å; Y153-L183 WeakPolarHBondContact OH-CB 3.22Å; Y153-G184 WeakPolarHBondContact CE2-O 3.26Å; Y153-G184 PolarHBondContact OH-O 2.89Å; Y153-A186 HydrophobicContact CD2-CB 4.05Å; Y153-A186 HydrophobicContact CE1-CB 4.14Å; Y153-A186 HydrophobicContact CE2-CB 3.6Å
154	G	98.6	Very high	98.3	Very high	24 Å²	24	47 Å²	47	25%	0.247	31%	0.308	C	S	.	.	S	Bend	trans	-128.1	-179.9	-174	0	0	0	0	0	112.9	G141	G141-G154 PolarHBondContact O-N 3.3Å
155	P	98.7	Very high	98.3	Very high	61 Å²	61	46.3 Å²	46.3	40%	0.396	31%	0.305	S	S	.	.			trans	-67.3	165.8	167.3	31.7	-36.3	0	0	0	111.2	Y136 G141 K178 L183	Y136-P155 WeakPolarHBondContact OH-CD 3.47Å; Y136-P155 PolarHBondContact OH-O 2.65Å; G141-P155 WeakPolarHBondContact CA-O 3.44Å; P155-K178 HydrophobicContact CG-CD 3.8Å; P155-L183 HydrophobicContact CG-CD2 4.39Å
156	T	98.8	Very high	98.3	Very high	79 Å²	79	43.2 Å²	43.2	49%	0.485	28%	0.284	S	S	.	.			trans	-66.7	161.4	164.8	53	0	0	0	0	111.2	G138 D139 K178	G138-T156 CarbonylContact O-C 3.58Å; G138-T156 WeakPolarHBondContact O-CA 3.5Å; G138-T156 WeakPolarHBondContact O-CB 3.33Å; D139-T156 VanDerWaalsContact O-CG2 3.24Å; D139-T156 WeakPolarHBondContact O-CG2 3.47Å; T156-K178 PolarHBondContact O-NZ 2.91Å
157	F	98.9	Very high	98.4	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.022	27%	0.271	C	S	.	.			trans	-141.1	148.4	175.6	60.5	-102.8	0	0	0	113.4	I103 M112 I114 Y136 H137 G138 D161 I163	I103-F157 HydrophobicContact CD1-CD2 3.96Å; I103-F157 HydrophobicContact CD1-CE2 4Å; I103-F157 HydrophobicContact CG1-CD2 4.05Å; M112-F157 HydrophobicContact CB-CE2 4.44Å; M112-F157 HydrophobicContact CE-CD2 4.44Å; M112-F157 HydrophobicContact CE-CE2 4.45Å; I114-F157 HydrophobicContact CD1-CE2 3.74Å; I114-F157 HydrophobicContact CD1-CZ 3.82Å; I114-F157 HydrophobicContact CG1-CE2 4.48Å; I114-F157 HydrophobicContact CG1-CZ 4.3Å; Y136-F157 HydrophobicContact CD1-CD1 4.28Å; Y136-F157 AromaticContact CD1-CE1 3.69Å; Y136-F157 HydrophobicContact CD1-CE1 3.69Å; Y136-F157 HydrophobicContact CD2-CE1 4.08Å; Y136-F157 AromaticContact CE1-CD1 3.73Å; Y136-F157 HydrophobicContact CE1-CD1 3.73Å; Y136-F157 AromaticContact CE1-CE1 3.63Å; Y136-F157 HydrophobicContact CE1-CE1 3.63Å; Y136-F157 HydrophobicContact CE2-CD1 4.18Å; Y136-F157 HydrophobicContact CE2-CE1 4.01Å; Y136-F157 AromaticContact CG-CE1 3.93Å; Y136-F157 HydrophobicContact CG-CE1 3.93Å; Y136-F157 AromaticContact CZ-CD1 3.67Å; Y136-F157 AromaticContact CZ-CE1 3.8Å; H137-F157 VanDerWaalsContact C-CE1 3.5Å; G138-F157 VanDerWaalsContact CA-CE1 3.44Å; G138-F157 VanDerWaalsContact CA-CE2 3.42Å; G138-F157 VanDerWaalsContact N-CZ 3.26Å; G138-F157 PolarHBondContact O-N 3.4Å; F157-D161 VanDerWaalsContact CA-OD2 3.28Å; F157-D161 WeakPolarHBondContact CA-OD2 3.37Å; F157-D161 HydrophobicContact CB-CB 4.22Å; F157-I163 HydrophobicContact CB-CD1 3.66Å; F157-I163 HydrophobicContact CB-CG1 4.02Å; F157-I163 HydrophobicContact CD1-CD1 3.79Å; F157-I163 HydrophobicContact CD1-CG1 3.88Å; F157-I163 HydrophobicContact CD2-CD1 4.39Å; F157-I163 HydrophobicContact CD2-CG1 3.83Å; F157-I163 HydrophobicContact CE1-CG1 4.26Å; F157-I163 HydrophobicContact CE2-CG1 4.22Å; F157-I163 HydrophobicContact CG-CD1 3.71Å; F157-I163 HydrophobicContact CG-CG1 3.65Å; F157-I163 HydrophobicContact CZ-CG1 4.42Å
158	T	98.9	Very high	98.4	Very high	63 Å²	63	39.2 Å²	39.2	39%	0.387	26%	0.256	S	S	.	.			trans	-151.4	-176.8	-165.3	-164.3	0	0	0	0	112.6	I103 K106 G160 D161	I103-T158 VanDerWaalsContact CB-O 3.31Å; I103-T158 WeakPolarHBondContact CB-O 3.1Å; K106-T158 VanDerWaalsContact CD-OG1 3.26Å; K106-T158 WeakPolarHBondContact CD-OG1 3.36Å; T158-G160 PolarHBondContact O-N 2.88Å; T158-D161 PolarHBondContact N-OD2 3.14Å; T158-D161 VanDerWaalsContact O-CB 3.32Å; T158-D161 WeakPolarHBondContact O-CB 3.42Å; T158-D161 PolarHBondContact O-N 2.88Å
159	T	98.9	Very high	98.6	Very high	76 Å²	76	38 Å²	38	47%	0.466	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	122.3	177.7	-56.1	0	0	0	0	112.2	K106	K106-T159 PolarHBondContact N-OG1 3.28Å
160	G	98.7	Very high	98.5	Very high	46 Å²	46	34.8 Å²	34.8	47%	0.474	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	-26.8	-179.5	0	0	0	0	0	114.4	I103 T158	I103-G160 PolarHBondContact O-N 3.34Å; T158-G160 PolarHBondContact O-N 2.88Å
161	D	98.9	Very high	98.4	Very high	21 Å²	21	37.2 Å²	37.2	11%	0.112	23%	0.226	C	C	.	.			trans	-66.4	150.8	178.2	-72.2	-44.5	0	0	0	112.1	I103 F157 T158 K178 N179	I103-D161 HydrophobicContact CG1-CB 4.43Å; I103-D161 PolarHBondContact N-O 3.18Å; F157-D161 VanDerWaalsContact CA-OD2 3.28Å; F157-D161 WeakPolarHBondContact CA-OD2 3.37Å; F157-D161 HydrophobicContact CB-CB 4.22Å; T158-D161 PolarHBondContact N-OD2 3.14Å; T158-D161 VanDerWaalsContact O-CB 3.32Å; T158-D161 WeakPolarHBondContact O-CB 3.42Å; T158-D161 PolarHBondContact O-N 2.88Å; D161-K178 VanDerWaalsContact CG-NZ 3.35Å; D161-K178 WeakPolarHBondContact OD1-CE 3.32Å; D161-K178 IonicContact OD1-NZ 3.76Å; D161-K178 PolarHBondContact OD1-NZ 3.4Å; D161-K178 WeakPolarHBondContact OD2-CE 3.27Å; D161-K178 IonicContact OD2-NZ 3.03Å; D161-K178 PolarHBondContact OD2-NZ 3.37Å; D161-N179 WeakPolarHBondContact CA-OD1 3.47Å; D161-N179 PolarHBondContact OD1-ND2 3.13Å
162	V	99	Very high	98.4	Very high	18 Å²	18	35 Å²	35	11%	0.109	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.7	168.7	-179.6	0	0	0	0	108.4	E100 K102 N179 V217	E100-V162 HydrophobicContact CB-CG1 3.86Å; E100-V162 HydrophobicContact CG-CG1 4Å; K102-V162 HydrophobicContact CB-CG2 4.1Å; K102-V162 HydrophobicContact CD-CG2 4.21Å; K102-V162 HydrophobicContact CG-CG2 3.96Å; V162-N179 PolarHBondContact N-OD1 3.09Å; V162-N179 PolarHBondContact O-N 2.94Å; V162-N179 PolarHBondContact O-OD1 3.43Å; V162-V217 HydrophobicContact CB-CG2 4.19Å; V162-V217 HydrophobicContact CG1-CB 4.49Å; V162-V217 HydrophobicContact CG1-CG2 3.94Å; V162-V217 HydrophobicContact CG2-CG2 4.16Å
163	I	99	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.3	179.6	-56.8	-58.9	0	0	0	109	V101 I114 Y136 F157 Y176 T177 K178	V101-I163 PolarHBondContact N-O 3.17Å; V101-I163 PolarHBondContact O-N 2.89Å; I114-I163 HydrophobicContact CD1-CB 3.67Å; I114-I163 HydrophobicContact CD1-CG1 4.06Å; I114-I163 HydrophobicContact CD1-CG2 3.87Å; Y136-I163 HydrophobicContact CD1-CG2 3.88Å; Y136-I163 HydrophobicContact CE1-CD1 4.3Å; Y136-I163 HydrophobicContact CE1-CG2 3.93Å; F157-I163 HydrophobicContact CB-CD1 3.66Å; F157-I163 HydrophobicContact CB-CG1 4.02Å; F157-I163 HydrophobicContact CD1-CD1 3.79Å; F157-I163 HydrophobicContact CD1-CG1 3.88Å; F157-I163 HydrophobicContact CD2-CD1 4.39Å; F157-I163 HydrophobicContact CD2-CG1 3.83Å; F157-I163 HydrophobicContact CE1-CG1 4.26Å; F157-I163 HydrophobicContact CE2-CG1 4.22Å; F157-I163 HydrophobicContact CG-CD1 3.71Å; F157-I163 HydrophobicContact CG-CG1 3.65Å; F157-I163 HydrophobicContact CZ-CG1 4.42Å; I163-Y176 HydrophobicContact CG2-CD1 4.19Å; I163-T177 VanDerWaalsContact CA-O 3.32Å; I163-T177 WeakPolarHBondContact CA-O 3.47Å; I163-K178 HydrophobicContact CD1-CB 3.85Å; I163-K178 HydrophobicContact CD1-CD 4.16Å; I163-K178 HydrophobicContact CD1-CG 3.74Å
164	G	99	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	153.5	172.8	0	0	0	0	0	112.3	Y98 F99 Y176 T177	Y98-G164 WeakPolarHBondContact OH-CA 3.48Å; F99-G164 CarbonylContact O-C 3.54Å; F99-G164 WeakPolarHBondContact O-CA 3.43Å; G164-Y176 CarbonylContact O-C 3.54Å; G164-Y176 WeakPolarHBondContact O-CA 3.31Å; G164-Y176 WeakPolarHBondContact O-CB 3.5Å; G164-Y176 VanDerWaalsContact O-CD1 3.31Å; G164-Y176 WeakPolarHBondContact O-CD1 3.37Å; G164-T177 WeakPolarHBondContact CA-OG1 3.44Å; G164-T177 PolarHBondContact N-O 2.96Å; G164-T177 PolarHBondContact N-OG1 3.2Å; G164-T177 VanDerWaalsContact N-OG1 3.11Å; G164-T177 PolarHBondContact O-N 3.18Å
165	C	99	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	113	172	179.2	0	0	0	0	108.3	Y98 F99 Y176	Y98-C165 WeakPolarHBondContact CD2-O 3.48Å; F99-C165 HydrophobicContact CD1-CB 3.98Å; F99-C165 HydrophobicContact CE1-CB 3.41Å; F99-C165 VanDerWaalsContact CE1-CB 3.41Å; F99-C165 HydrophobicContact CE2-CB 4.48Å; F99-C165 HydrophobicContact CZ-CB 3.69Å; F99-C165 PolarHBondContact N-O 3.34Å; F99-C165 PolarHBondContact O-N 3Å; C165-Y176 HydrophobicContact CB-CD1 3.88Å; C165-Y176 HydrophobicContact CB-CE1 3.8Å
166	C	98.9	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.2	-178.8	-168.8	0	0	0	0	110	V96 Y97 Y98 C174 F175	V96-C166 WeakPolarHBondContact CG1-SG 3.27Å; Y97-C166 CarbonylContact O-C 3.58Å; Y97-C166 WeakPolarHBondContact O-CA 3.33Å; Y98-C166 HydrophobicContact CD2-CB 3.61Å; Y98-C166 HydrophobicContact CE2-CB 4.08Å; C166-C174 VanDerWaalsContact O-CA 3.23Å; C166-C174 WeakPolarHBondContact O-CA 3.39Å; C166-F175 HydrophobicContact CB-CD1 3.78Å; C166-F175 HydrophobicContact CB-CD2 4.02Å; C166-F175 HydrophobicContact CB-CE1 3.39Å; C166-F175 HydrophobicContact CB-CE2 3.67Å; C166-F175 HydrophobicContact CB-CG 4.08Å; C166-F175 HydrophobicContact CB-CZ 3.34Å; C166-F175 PolarHBondContact N-O 3.13Å; C166-F175 PolarHBondContact O-N 3.45Å; C166-F175 WeakPolarHBondContact SG-CE1 3.47Å; C166-F175 WeakPolarHBondContact SG-CZ 3.47Å
167	V	98.8	Very high	98.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.6	-179	-165.6	0	0	0	0	108.6	I90 V96 Y97 L116 L169 L190	I90-V167 HydrophobicContact CD1-CB 4.22Å; I90-V167 HydrophobicContact CD1-CG1 4.48Å; I90-V167 HydrophobicContact CD1-CG2 3.75Å; V96-V167 CarbonylContact C-O 3.57Å; V96-V167 WeakPolarHBondContact CA-O 3.36Å; Y97-V167 PolarHBondContact N-O 3.11Å; Y97-V167 PolarHBondContact O-N 3.47Å; L116-V167 HydrophobicContact CD1-CG1 4.16Å; L116-V167 HydrophobicContact CD1-CG2 3.67Å; L116-V167 HydrophobicContact CD2-CG2 3.77Å; L116-V167 HydrophobicContact CG-CG2 4.28Å; V167-L169 HydrophobicContact CG1-CD2 3.78Å; V167-L169 HydrophobicContact CG1-CG 4.49Å; V167-L190 HydrophobicContact CG1-CD1 4.17Å
168	N	98.2	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111	176.9	-174.3	-29.7	0	0	0	109.2	V96 I170 N171 N172 T173 W227	V96-N168 HydrophobicContact CG2-CB 4.44Å; N168-I170 VanDerWaalsContact C-N 3.34Å; N168-I170 WeakPolarHBondContact OD1-CB 3.37Å; N168-I170 PolarHBondContact OD1-N 3.36Å; N168-N171 VanDerWaalsContact CB-OD1 3.27Å; N168-N171 WeakPolarHBondContact CB-OD1 3.27Å; N168-N171 PolarHBondContact O-OD1 3.01Å; N168-N171 PolarHBondContact OD1-N 2.87Å; N168-N171 PolarHBondContact OD1-OD1 2.9Å; N168-N172 CarbonylContact O-C 3.59Å; N168-N172 WeakPolarHBondContact O-CA 3.39Å; N168-N172 PolarHBondContact O-N 3.36Å; N168-T173 PolarHBondContact N-O 3.03Å; N168-T173 PolarHBondContact O-N 3Å; N168-W227 WeakPolarHBondContact ND2-CZ2 3.5Å; N168-W227 PolarHBondContact ND2-NE1 2.92Å
169	L	97.6	Very high	98.4	Very high	21 Å²	21	22.5 Å²	22.5	11%	0.11	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.9	-175.7	-52.4	168.5	0	0	0	111.9	I90 P91 C94 G95 V167 G585	I90-L169 HydrophobicContact CG2-CD1 3.64Å; P91-L169 WeakPolarHBondContact O-CD1 3.48Å; C94-L169 HydrophobicContact CB-CD1 4.13Å; G95-L169 WeakPolarHBondContact O-CA 3.4Å; G95-L169 WeakPolarHBondContact O-CB 3.43Å; G95-L169 PolarHBondContact O-N 3.16Å; V167-L169 HydrophobicContact CG1-CD2 3.78Å; V167-L169 HydrophobicContact CG1-CG 4.49Å; L169-G585 VanDerWaalsContact O-CA 3.3Å; L169-G585 WeakPolarHBondContact O-CA 3.41Å; L169-G585 PolarHBondContact O-N 2.8Å; L169-G585 VanDerWaalsContact O-N 3.11Å
170	I	95.5	Very high	98.4	Very high	30 Å²	30	19.8 Å²	19.8	15%	0.154	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-43	172.8	-56.2	171	0	0	0	109.5	N168 W227 I231 F589	N168-I170 VanDerWaalsContact C-N 3.34Å; N168-I170 WeakPolarHBondContact OD1-CB 3.37Å; N168-I170 PolarHBondContact OD1-N 3.36Å; I170-W227 HydrophobicContact CB-CE3 4.43Å; I170-W227 HydrophobicContact CB-CZ3 4.18Å; I170-W227 HydrophobicContact CD1-CD2 4.3Å; I170-W227 HydrophobicContact CD1-CE3 3.72Å; I170-W227 HydrophobicContact CD1-CZ3 4.33Å; I170-W227 HydrophobicContact CG2-CE3 4.19Å; I170-W227 HydrophobicContact CG2-CZ3 3.75Å; I170-I231 HydrophobicContact CD1-CG1 4.33Å; I170-I231 HydrophobicContact CG2-CD1 4Å; I170-F589 HydrophobicContact CD1-CD2 3.48Å; I170-F589 VanDerWaalsContact CD1-CD2 3.48Å; I170-F589 HydrophobicContact CD1-CE2 3.53Å
171	N	96.2	Very high	98.4	Very high	67 Å²	67	24 Å²	24	36%	0.358	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	6.8	-178.3	72.9	-7.7	0	0	0	114.1	N168 T173 W227	N168-N171 VanDerWaalsContact CB-OD1 3.27Å; N168-N171 WeakPolarHBondContact CB-OD1 3.27Å; N168-N171 PolarHBondContact O-OD1 3.01Å; N168-N171 PolarHBondContact OD1-N 2.87Å; N168-N171 PolarHBondContact OD1-OD1 2.9Å; N171-T173 VanDerWaalsContact C-N 3.35Å; N171-T173 VanDerWaalsContact CG-OG1 3.32Å; N171-T173 PolarHBondContact ND2-OG1 2.84Å; N171-T173 PolarHBondContact O-N 2.9Å; N171-T173 WeakPolarHBondContact OD1-CB 3.48Å; N171-T173 PolarHBondContact OD1-N 3.43Å; N171-T173 PolarHBondContact OD1-OG1 3Å; N171-W227 HydrophobicContact CB-CH2 4.22Å
172	N	97.5	Very high	98.4	Very high	69 Å²	69	26 Å²	26	37%	0.369	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	41.8	179.2	-54.9	-42.4	0	0	0	114	N168 T188 D189 L190	N168-N172 CarbonylContact O-C 3.59Å; N168-N172 WeakPolarHBondContact O-CA 3.39Å; N168-N172 PolarHBondContact O-N 3.36Å; N172-T188 CarbonylContact O-C 3.53Å; N172-D189 PolarHBondContact O-N 3.34Å; N172-L190 HydrophobicContact CB-CB 4.46Å; N172-L190 WeakPolarHBondContact O-CB 3.38Å; N172-L190 PolarHBondContact O-N 3.22Å
173	T	98.6	Very high	98.4	Very high	12 Å²	12	27.4 Å²	27.4	7%	0.074	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	161.1	178.6	65	0	0	0	0	112.8	N168 N171 I185 F187 T188	N168-T173 PolarHBondContact N-O 3.03Å; N168-T173 PolarHBondContact O-N 3Å; N171-T173 VanDerWaalsContact C-N 3.35Å; N171-T173 VanDerWaalsContact CG-OG1 3.32Å; N171-T173 PolarHBondContact ND2-OG1 2.84Å; N171-T173 PolarHBondContact O-N 2.9Å; N171-T173 WeakPolarHBondContact OD1-CB 3.48Å; N171-T173 PolarHBondContact OD1-N 3.43Å; N171-T173 PolarHBondContact OD1-OG1 3Å; T173-I185 HydrophobicContact CG2-CG2 4.47Å; T173-F187 CarbonylContact C-O 3.55Å; T173-F187 VanDerWaalsContact CA-O 3.24Å; T173-F187 WeakPolarHBondContact CA-O 3.38Å; T173-F187 WeakPolarHBondContact CB-O 3.28Å; T173-T188 HydrophobicContact CG2-CG2 4.09Å
174	C	98.9	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.1	169.8	169.4	0	0	0	0	111.1	L116 C166 A186 F187 L190	L116-C174 HydrophobicContact CD1-CB 4.45Å; C166-C174 VanDerWaalsContact O-CA 3.23Å; C166-C174 WeakPolarHBondContact O-CA 3.39Å; C174-A186 PolarHBondContact O-N 3.03Å; C174-F187 HydrophobicContact CB-CD2 4.06Å; C174-F187 PolarHBondContact N-O 3.36Å; C174-F187 PolarHBondContact O-N 3.48Å; C174-L190 HydrophobicContact CB-CD1 3.57Å
175	F	98.9	Very high	98.4	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.022	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.6	164.6	66.6	-86.3	0	0	0	110.5	C166 T177 S182 G184 I185 F218 Y223	C166-F175 HydrophobicContact CB-CD1 3.78Å; C166-F175 HydrophobicContact CB-CD2 4.02Å; C166-F175 HydrophobicContact CB-CE1 3.39Å; C166-F175 HydrophobicContact CB-CE2 3.67Å; C166-F175 HydrophobicContact CB-CG 4.08Å; C166-F175 HydrophobicContact CB-CZ 3.34Å; C166-F175 PolarHBondContact N-O 3.13Å; C166-F175 PolarHBondContact O-N 3.45Å; C166-F175 WeakPolarHBondContact SG-CE1 3.47Å; C166-F175 WeakPolarHBondContact SG-CZ 3.47Å; F175-T177 HydrophobicContact CD2-CG2 4.17Å; F175-T177 HydrophobicContact CE2-CG2 3.83Å; F175-S182 WeakPolarHBondContact CD2-OG 3.43Å; F175-S182 WeakPolarHBondContact CE2-OG 3.33Å; F175-G184 WeakPolarHBondContact CB-O 3.46Å; F175-I185 HydrophobicContact CB-CD1 4.29Å; F175-I185 HydrophobicContact CD1-CD1 4.35Å; F175-F218 HydrophobicContact CE2-CE1 4.14Å; F175-F218 HydrophobicContact CE2-CZ 4.04Å; F175-F218 HydrophobicContact CZ-CE1 4.11Å; F175-F218 HydrophobicContact CZ-CZ 4.18Å; F175-Y223 HydrophobicContact CE1-CD1 4.41Å; F175-Y223 HydrophobicContact CE1-CD2 4.44Å; F175-Y223 AromaticContact CE1-CE1 3.78Å; F175-Y223 HydrophobicContact CE1-CE1 3.78Å; F175-Y223 AromaticContact CE1-CE2 3.8Å; F175-Y223 HydrophobicContact CE1-CE2 3.8Å; F175-Y223 AromaticContact CE1-CZ 3.43Å; F175-Y223 VanDerWaalsContact CE1-CZ 3.43Å; F175-Y223 HydrophobicContact CZ-CD1 4.25Å; F175-Y223 HydrophobicContact CZ-CD2 4.14Å; F175-Y223 HydrophobicContact CZ-CE1 4.08Å; F175-Y223 AromaticContact CZ-CE2 3.95Å; F175-Y223 HydrophobicContact CZ-CE2 3.95Å; F175-Y223 HydrophobicContact CZ-CG 4.29Å; F175-Y223 AromaticContact CZ-CZ 3.93Å
176	Y	98.9	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	158.7	170.6	-63.9	-92.9	0	0	0	111	I114 G115 G135 Y136 Y153 I163 G164 C165 L183 A186 F187	I114-Y176 HydrophobicContact CG2-CE1 4.41Å; I114-Y176 WeakPolarHBondContact O-CE1 3.32Å; I114-Y176 PolarHBondContact O-OH 2.92Å; G115-Y176 WeakPolarHBondContact CA-OH 3.38Å; G135-Y176 WeakPolarHBondContact CA-OH 3.48Å; Y136-Y176 AromaticContact CD1-CD1 3.73Å; Y136-Y176 HydrophobicContact CD1-CD1 3.73Å; Y136-Y176 HydrophobicContact CD1-CD2 4.08Å; Y136-Y176 HydrophobicContact CD1-CE1 4.32Å; Y136-Y176 AromaticContact CD1-CG 3.58Å; Y136-Y176 HydrophobicContact CD1-CG 3.58Å; Y136-Y176 HydrophobicContact CE1-CG 4.38Å; Y136-Y176 HydrophobicContact CG-CD1 4.36Å; Y136-Y176 HydrophobicContact CG-CD2 4.2Å; Y136-Y176 HydrophobicContact CG-CE2 4.43Å; Y136-Y176 HydrophobicContact CG-CG 4.15Å; Y136-Y176 PolarHBondContact N-OH 3.49Å; Y153-Y176 AromaticContact CE1-CD2 3.63Å; Y153-Y176 HydrophobicContact CE1-CD2 3.63Å; Y153-Y176 HydrophobicContact CE1-CG 4.22Å; Y153-Y176 AromaticContact CZ-CD2 3.93Å; Y153-Y176 PolarHBondContact OH-N 3.11Å; I163-Y176 HydrophobicContact CG2-CD1 4.19Å; G164-Y176 CarbonylContact O-C 3.54Å; G164-Y176 WeakPolarHBondContact O-CA 3.31Å; G164-Y176 WeakPolarHBondContact O-CB 3.5Å; G164-Y176 VanDerWaalsContact O-CD1 3.31Å; G164-Y176 WeakPolarHBondContact O-CD1 3.37Å; C165-Y176 HydrophobicContact CB-CD1 3.88Å; C165-Y176 HydrophobicContact CB-CE1 3.8Å; Y176-L183 WeakPolarHBondContact O-CB 3.27Å; Y176-L183 PolarHBondContact O-N 3.33Å; Y176-A186 HydrophobicContact CD2-CB 3.83Å; Y176-A186 HydrophobicContact CE2-CB 3.81Å; Y176-F187 HydrophobicContact CE2-CD2 4.43Å; Y176-F187 AromaticContact CE2-CE2 3.63Å; Y176-F187 HydrophobicContact CE2-CE2 3.63Å; Y176-F187 HydrophobicContact CE2-CZ 4.2Å; Y176-F187 WeakPolarHBondContact OH-CE2 3.29Å
177	T	99	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.1	168.1	73	0	0	0	0	109.3	Y98 I163 G164 F175 H181 F218	Y98-T177 HydrophobicContact CE2-CG2 4.01Å; Y98-T177 PolarHBondContact OH-OG1 3.35Å; I163-T177 VanDerWaalsContact CA-O 3.32Å; I163-T177 WeakPolarHBondContact CA-O 3.47Å; G164-T177 WeakPolarHBondContact CA-OG1 3.44Å; G164-T177 PolarHBondContact N-O 2.96Å; G164-T177 PolarHBondContact N-OG1 3.2Å; G164-T177 VanDerWaalsContact N-OG1 3.11Å; G164-T177 PolarHBondContact O-N 3.18Å; F175-T177 HydrophobicContact CD2-CG2 4.17Å; F175-T177 HydrophobicContact CE2-CG2 3.83Å; T177-H181 CarbonylContact C-O 3.59Å; T177-H181 WeakPolarHBondContact CA-O 3.5Å; T177-H181 WeakPolarHBondContact CB-O 3.25Å; T177-F218 HydrophobicContact CG2-CB 4.17Å; T177-F218 HydrophobicContact CG2-CD1 4.04Å; T177-F218 HydrophobicContact CG2-CD2 3.83Å; T177-F218 HydrophobicContact CG2-CE1 4.39Å; T177-F218 HydrophobicContact CG2-CE2 4.2Å; T177-F218 HydrophobicContact CG2-CG 3.76Å; T177-F218 HydrophobicContact CG2-CZ 4.47Å
178	K	98.9	Very high	98.3	Very high	39 Å²	39	38 Å²	38	17%	0.17	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.3	165.7	179.6	171.3	-171.8	176.9	0	109	P155 T156 D161 I163 G180 H181 L183	P155-K178 HydrophobicContact CG-CD 3.8Å; T156-K178 PolarHBondContact O-NZ 2.91Å; D161-K178 VanDerWaalsContact CG-NZ 3.35Å; D161-K178 WeakPolarHBondContact OD1-CE 3.32Å; D161-K178 IonicContact OD1-NZ 3.76Å; D161-K178 PolarHBondContact OD1-NZ 3.4Å; D161-K178 WeakPolarHBondContact OD2-CE 3.27Å; D161-K178 IonicContact OD2-NZ 3.03Å; D161-K178 PolarHBondContact OD2-NZ 3.37Å; I163-K178 HydrophobicContact CD1-CB 3.85Å; I163-K178 HydrophobicContact CD1-CD 4.16Å; I163-K178 HydrophobicContact CD1-CG 3.74Å; K178-G180 PolarHBondContact O-N 3.09Å; K178-G180 VanDerWaalsContact O-N 3.16Å; K178-H181 PolarHBondContact N-O 3.1Å; K178-H181 PolarHBondContact O-N 3.07Å; K178-L183 HydrophobicContact CB-CD1 4.17Å; K178-L183 HydrophobicContact CB-CD2 4.26Å; K178-L183 HydrophobicContact CB-CG 4.47Å
179	N	98.8	Very high	98.3	Very high	66 Å²	66	44.6 Å²	44.6	35%	0.353	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	41.7	176	-57	-26.8	0	0	0	113.3	D161 V162	D161-N179 WeakPolarHBondContact CA-OD1 3.47Å; D161-N179 PolarHBondContact OD1-ND2 3.13Å; V162-N179 PolarHBondContact N-OD1 3.09Å; V162-N179 PolarHBondContact O-N 2.94Å; V162-N179 PolarHBondContact O-OD1 3.43Å
180	G	98.6	Very high	98.3	Very high	19 Å²	19	44.1 Å²	44.1	20%	0.196	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	3	179.9	0	0	0	0	0	116	K178 F218	K178-G180 PolarHBondContact O-N 3.09Å; K178-G180 VanDerWaalsContact O-N 3.16Å; G180-F218 WeakPolarHBondContact O-CD2 3.4Å
181	H	98.8	Very high	98.4	Very high	135 Å²	135	44.4 Å²	44.4	63%	0.625	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.8	177.4	-58.8	-72.6	0	0	0	111.7	T177 K178	T177-H181 CarbonylContact C-O 3.59Å; T177-H181 WeakPolarHBondContact CA-O 3.5Å; T177-H181 WeakPolarHBondContact CB-O 3.25Å; K178-H181 PolarHBondContact N-O 3.1Å; K178-H181 PolarHBondContact O-N 3.07Å
182	S	98.6	Very high	98.3	Very high	62 Å²	62	45 Å²	45	43%	0.434	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	141	174.8	-178.3	0	0	0	0	111.8	F175 G184	F175-S182 WeakPolarHBondContact CD2-OG 3.43Å; F175-S182 WeakPolarHBondContact CE2-OG 3.33Å; S182-G184 PolarHBondContact OG-N 3.22Å
183	L	98.8	Very high	98.2	Very high	48 Å²	48	46.7 Å²	46.7	25%	0.251	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	4.6	179.4	-57.7	177.6	0	0	0	113.1	Y136 Y153 P155 Y176 K178	Y136-L183 HydrophobicContact CE1-CD1 3.66Å; Y136-L183 VanDerWaalsContact OH-CD1 3.25Å; Y136-L183 WeakPolarHBondContact OH-CD1 3.45Å; Y153-L183 HydrophobicContact CE1-CB 4.23Å; Y153-L183 HydrophobicContact CE1-CD1 4.25Å; Y153-L183 WeakPolarHBondContact OH-CB 3.22Å; P155-L183 HydrophobicContact CG-CD2 4.39Å; Y176-L183 WeakPolarHBondContact O-CB 3.27Å; Y176-L183 PolarHBondContact O-N 3.33Å; K178-L183 HydrophobicContact CB-CD1 4.17Å; K178-L183 HydrophobicContact CB-CD2 4.26Å; K178-L183 HydrophobicContact CB-CG 4.47Å
184	G	98.5	Very high	98.2	Very high	36 Å²	36	46.4 Å²	46.4	37%	0.371	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.6	171	-175.1	0	0	0	0	0	113.8	Y153 F175 S182 A186	Y153-G184 WeakPolarHBondContact CE2-O 3.26Å; Y153-G184 PolarHBondContact OH-O 2.89Å; F175-G184 WeakPolarHBondContact CB-O 3.46Å; S182-G184 PolarHBondContact OG-N 3.22Å; G184-A186 PolarHBondContact O-N 3.24Å
185	I	98.7	Very high	98.2	Very high	86 Å²	86	47.5 Å²	47.5	44%	0.441	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	123.6	-174.4	-56.8	-61.1	0	0	0	110.7	T173 F175 F187 T188	T173-I185 HydrophobicContact CG2-CG2 4.47Å; F175-I185 HydrophobicContact CB-CD1 4.29Å; F175-I185 HydrophobicContact CD1-CD1 4.35Å; I185-F187 WeakPolarHBondContact CG2-O 3.16Å; I185-T188 HydrophobicContact CG2-CG2 4.12Å
186	A	98.7	Very high	98.2	Very high	20 Å²	20	47.3 Å²	47.3	17%	0.165	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-39.6	173.4	0	0	0	0	0	112.1	Y153 C174 Y176 G184	Y153-A186 HydrophobicContact CD2-CB 4.05Å; Y153-A186 HydrophobicContact CE1-CB 4.14Å; Y153-A186 HydrophobicContact CE2-CB 3.6Å; C174-A186 PolarHBondContact O-N 3.03Å; Y176-A186 HydrophobicContact CD2-CB 3.83Å; Y176-A186 HydrophobicContact CE2-CB 3.81Å; G184-A186 PolarHBondContact O-N 3.24Å
187	F	98.7	Very high	98.2	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.022	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.7	-173.3	-45.7	-58.8	0	0	0	111.6	Y134 C145 T173 C174 Y176 I185 L190	Y134-F187 HydrophobicContact CD1-CB 4.35Å; Y134-F187 HydrophobicContact CD1-CD1 4.16Å; Y134-F187 HydrophobicContact CD1-CD2 4.19Å; Y134-F187 AromaticContact CD1-CG 3.97Å; Y134-F187 HydrophobicContact CD1-CG 3.97Å; Y134-F187 HydrophobicContact CG-CD2 4.37Å; C145-F187 HydrophobicContact CB-CD1 3.68Å; C145-F187 HydrophobicContact CB-CE1 3.71Å; T173-F187 CarbonylContact C-O 3.55Å; T173-F187 VanDerWaalsContact CA-O 3.24Å; T173-F187 WeakPolarHBondContact CA-O 3.38Å; T173-F187 WeakPolarHBondContact CB-O 3.28Å; C174-F187 HydrophobicContact CB-CD2 4.06Å; C174-F187 PolarHBondContact N-O 3.36Å; C174-F187 PolarHBondContact O-N 3.48Å; Y176-F187 HydrophobicContact CE2-CD2 4.43Å; Y176-F187 AromaticContact CE2-CE2 3.63Å; Y176-F187 HydrophobicContact CE2-CE2 3.63Å; Y176-F187 HydrophobicContact CE2-CZ 4.2Å; Y176-F187 WeakPolarHBondContact OH-CE2 3.29Å; I185-F187 WeakPolarHBondContact CG2-O 3.16Å; F187-L190 HydrophobicContact CB-CD2 3.87Å; F187-L190 HydrophobicContact CB-CG 4.36Å
188	T	98.4	Very high	98.2	Very high	79 Å²	79	47.3 Å²	47.3	49%	0.485	27%	0.274	S	S	.	.			trans	-117.8	174.4	168.4	62.8	0	0	0	0	109.7	N172 T173 I185 L190	N172-T188 CarbonylContact O-C 3.53Å; T173-T188 HydrophobicContact CG2-CG2 4.09Å; I185-T188 HydrophobicContact CG2-CG2 4.12Å; T188-L190 PolarHBondContact O-N 2.84Å; T188-L190 VanDerWaalsContact O-N 3.11Å
189	D	97.4	Very high	98.2	Very high	138 Å²	138	45.5 Å²	45.5	74%	0.738	27%	0.266	S	S	*	.	S	Bend	trans	55.9	34.2	170.7	-50.3	-75.1	0	0	0	113.6	N172	N172-D189 PolarHBondContact O-N 3.34Å
190	L	98.1	Very high	98.2	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.052	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-65.1	136.2	-179.7	-68.4	177.9	0	0	0	111.4	L116 Y134 V167 N172 C174 F187 T188 L194	L116-L190 HydrophobicContact CD1-CD1 4.12Å; Y134-L190 HydrophobicContact CD1-CD2 3.57Å; Y134-L190 HydrophobicContact CD2-CD2 3.95Å; Y134-L190 HydrophobicContact CE1-CD2 3.5Å; Y134-L190 VanDerWaalsContact CE1-CD2 3.5Å; Y134-L190 HydrophobicContact CE2-CD2 3.9Å; Y134-L190 HydrophobicContact CG-CD2 3.81Å; V167-L190 HydrophobicContact CG1-CD1 4.17Å; N172-L190 HydrophobicContact CB-CB 4.46Å; N172-L190 WeakPolarHBondContact O-CB 3.38Å; N172-L190 PolarHBondContact O-N 3.22Å; C174-L190 HydrophobicContact CB-CD1 3.57Å; F187-L190 HydrophobicContact CB-CD2 3.87Å; F187-L190 HydrophobicContact CB-CG 4.36Å; T188-L190 PolarHBondContact O-N 2.84Å; T188-L190 VanDerWaalsContact O-N 3.11Å; L190-L194 HydrophobicContact CB-CD1 4.11Å; L190-L194 HydrophobicContact CD1-CD1 4.44Å; L190-L194 HydrophobicContact CD2-CD1 4.12Å; L190-L194 HydrophobicContact CG-CD1 4.47Å
191	P	96.5	Very high	98.2	Very high	36 Å²	36	42 Å²	42	23%	0.234	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-68.9	155	170.2	30.6	-35.7	0	0	0	110.8	Y134 L194	Y134-P191 HydrophobicContact CE2-CG 4.2Å; Y134-P191 WeakPolarHBondContact OH-CD 3.41Å; P191-L194 HydrophobicContact CG-CD1 4.31Å; P191-L194 HydrophobicContact CG-CD2 4.08Å; P191-L194 HydrophobicContact CG-CG 4.26Å; P191-L194 WeakPolarHBondContact O-CD1 3.34Å; P191-L194 WeakPolarHBondContact O-CG 3.46Å
192	P	95	Very high	98.2	Very high	81 Å²	81	35.6 Å²	35.6	53%	0.526	21%	0.213	S	C	.	.	S	Bend	trans	-69.7	172.1	173	31.6	-36.7	0	0	0	111.8	L194	P192-L194 VanDerWaalsContact C-N 3.27Å; P192-L194 PolarHBondContact O-N 2.73Å
193	N	96.3	Very high	98.2	Very high	104 Å²	104	35.2 Å²	35.2	56%	0.556	21%	0.208	S	C	*	.	S	Bend	trans	60.1	31.5	173.7	-52.8	-43.2	0	0	0	114.7	P89	P89-N193 HydrophobicContact CB-CB 4.19Å
194	L	98.6	Very high	98.2	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-73	143.4	171.1	-71.3	173.5	0	0	0	111.2	P89 I90 L116 A118 Y134 L190 P191 P192	P89-L194 WeakPolarHBondContact CA-O 3.34Å; I90-L194 WeakPolarHBondContact CG1-O 3.49Å; I90-L194 PolarHBondContact N-O 3.19Å; L116-L194 HydrophobicContact CB-CB 4.2Å; L116-L194 HydrophobicContact CB-CD1 4.09Å; L116-L194 HydrophobicContact CB-CD2 4.5Å; L116-L194 HydrophobicContact CD1-CD1 3.82Å; A118-L194 HydrophobicContact CB-CD2 4.2Å; Y134-L194 HydrophobicContact CD2-CD1 4.11Å; Y134-L194 HydrophobicContact CD2-CD2 4.2Å; Y134-L194 HydrophobicContact CE2-CD1 4.07Å; Y134-L194 HydrophobicContact CE2-CD2 4.01Å; L190-L194 HydrophobicContact CB-CD1 4.11Å; L190-L194 HydrophobicContact CD1-CD1 4.44Å; L190-L194 HydrophobicContact CD2-CD1 4.12Å; L190-L194 HydrophobicContact CG-CD1 4.47Å; P191-L194 HydrophobicContact CG-CD1 4.31Å; P191-L194 HydrophobicContact CG-CD2 4.08Å; P191-L194 HydrophobicContact CG-CG 4.26Å; P191-L194 WeakPolarHBondContact O-CD1 3.34Å; P191-L194 WeakPolarHBondContact O-CG 3.46Å; P192-L194 VanDerWaalsContact C-N 3.27Å; P192-L194 PolarHBondContact O-N 2.73Å
195	Y	98.9	Very high	98.2	Very high	23 Å²	23	33.1 Å²	33.1	9%	0.09	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.1	174.3	-67.9	-113.9	0	0	0	109.1	R85 A86 H88 P89 L116 S117 Q119 T197	R85-Y195 HydrophobicContact CB-CD1 4.14Å; R85-Y195 HydrophobicContact CB-CG 4.26Å; R85-Y195 HydrophobicContact CG-CG 4.19Å; A86-Y195 WeakPolarHBondContact O-CD1 3.39Å; H88-Y195 VanDerWaalsContact O-CD1 3.27Å; H88-Y195 WeakPolarHBondContact O-CD1 3.49Å; P89-Y195 HydrophobicContact CB-CD2 3.96Å; P89-Y195 HydrophobicContact CB-CE1 4.4Å; P89-Y195 HydrophobicContact CB-CE2 3.66Å; P89-Y195 HydrophobicContact CB-CG 4.41Å; P89-Y195 HydrophobicContact CG-CE2 4.25Å; P89-Y195 VanDerWaalsContact N-CE1 3.33Å; L116-Y195 VanDerWaalsContact CA-O 3.29Å; L116-Y195 WeakPolarHBondContact CA-O 3.43Å; S117-Y195 PolarHBondContact N-O 3.26Å; S117-Y195 PolarHBondContact O-N 3.09Å; Q119-Y195 HydrophobicContact CB-CE2 3.86Å; Q119-Y195 HydrophobicContact CG-CE2 4.4Å; Y195-T197 PolarHBondContact O-N 3.27Å; Y195-T197 PolarHBondContact O-OG1 3.05Å
196	P	98.9	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	134.3	159.6	-22.6	33.8	0	0	0	109.3	P48 W51 R85 A86 I90 Y97 F99 F211	P48-P196 HydrophobicContact CB-CG 4.12Å; P48-P196 HydrophobicContact CG-CG 4.04Å; W51-P196 HydrophobicContact CH2-CB 4.44Å; W51-P196 HydrophobicContact CZ3-CB 4.38Å; W51-P196 WeakPolarHBondContact CZ3-O 3.39Å; R85-P196 CarbonylContact C-O 3.55Å; R85-P196 WeakPolarHBondContact CA-O 3.38Å; A86-P196 HydrophobicContact CB-CB 4.07Å; A86-P196 HydrophobicContact CB-CG 4.05Å; A86-P196 PolarHBondContact N-O 2.91Å; I90-P196 HydrophobicContact CD1-CG 4.39Å; I90-P196 HydrophobicContact CG1-CG 4.22Å; Y97-P196 HydrophobicContact CE1-CG 3.95Å; F99-P196 HydrophobicContact CD1-CB 4.12Å; F99-P196 HydrophobicContact CD1-CG 4.29Å; F99-P196 HydrophobicContact CD2-CB 4.31Å; F99-P196 HydrophobicContact CE1-CB 3.75Å; F99-P196 HydrophobicContact CE1-CG 4.23Å; F99-P196 HydrophobicContact CE2-CB 4Å; F99-P196 HydrophobicContact CG-CB 4.37Å; F99-P196 HydrophobicContact CZ-CB 3.7Å; P196-F211 HydrophobicContact CB-CE1 3.79Å; P196-F211 HydrophobicContact CG-CE1 4.09Å
197	T	99	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	135	-175.7	-48.9	0	0	0	0	110.3	V84 R85 G115 S117 M123 P127 Y195	V84-T197 WeakPolarHBondContact O-CA 3.27Å; V84-T197 WeakPolarHBondContact O-CG2 3.36Å; R85-T197 HydrophobicContact CG-CG2 4.34Å; G115-T197 CarbonylContact C-O 3.49Å; G115-T197 PolarHBondContact N-O 3.41Å; G115-T197 PolarHBondContact O-N 3.11Å; S117-T197 WeakPolarHBondContact CB-OG1 3.4Å; S117-T197 PolarHBondContact N-OG1 3.27Å; S117-T197 VanDerWaalsContact N-OG1 3.1Å; S117-T197 PolarHBondContact OG-OG1 3.33Å; M123-T197 HydrophobicContact CE-CG2 4.21Å; P127-T197 HydrophobicContact CG-CG2 3.89Å; Y195-T197 PolarHBondContact O-N 3.27Å; Y195-T197 PolarHBondContact O-OG1 3.05Å
198	V	98.9	Very high	98.3	Very high	1 Å²	1	31 Å²	31	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.3	166.2	161.8	0	0	0	0	108.4	W51 S83 V84 V101 G113 I114 L200 V207	W51-V198 HydrophobicContact CH2-CB 4Å; W51-V198 HydrophobicContact CH2-CG2 3.58Å; W51-V198 HydrophobicContact CZ2-CB 4.09Å; W51-V198 HydrophobicContact CZ2-CG2 3.55Å; S83-V198 CarbonylContact C-O 3.53Å; S83-V198 WeakPolarHBondContact CA-O 3.33Å; V84-V198 PolarHBondContact N-O 3.17Å; V84-V198 PolarHBondContact O-N 3.03Å; V101-V198 HydrophobicContact CG1-CG2 4.16Å; V101-V198 HydrophobicContact CG2-CG2 3.92Å; G113-V198 WeakPolarHBondContact O-CA 3.47Å; I114-V198 HydrophobicContact CG1-CG2 4.33Å; V198-L200 HydrophobicContact CG1-CD2 3.94Å; V198-L200 HydrophobicContact CG1-CG 4.17Å; V198-V207 HydrophobicContact CG1-CG2 3.75Å; V198-V207 HydrophobicContact CG2-CG2 4.41Å
199	G	98.9	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.2	165.3	0	0	0	0	0	112.5	A82 S83 M112 G113	A82-G199 CarbonylContact O-C 3.53Å; A82-G199 VanDerWaalsContact O-CA 3.22Å; A82-G199 WeakPolarHBondContact O-CA 3.41Å; S83-G199 WeakPolarHBondContact OG-CA 3.49Å; M112-G199 CarbonylContact C-O 3.55Å; M112-G199 WeakPolarHBondContact CA-O 3.45Å; G113-G199 PolarHBondContact N-O 3.4Å; G113-G199 PolarHBondContact O-N 2.9Å
200	L	98.9	Very high	98.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.6	177.6	-51.3	177.7	0	0	0	108.5	I60 V69 Y71 A82 M112 V198 E205 V207	I60-L200 HydrophobicContact CD1-CB 4.33Å; I60-L200 HydrophobicContact CD1-CD1 4.31Å; I60-L200 HydrophobicContact CD1-CG 4.38Å; V69-L200 HydrophobicContact CB-CD1 4.32Å; V69-L200 HydrophobicContact CG1-CD1 3.74Å; V69-L200 HydrophobicContact CG1-CG 4.42Å; Y71-L200 HydrophobicContact CD2-CB 3.94Å; Y71-L200 WeakPolarHBondContact CD2-O 3.38Å; Y71-L200 HydrophobicContact CG-CB 4.31Å; A82-L200 PolarHBondContact N-O 3.35Å; A82-L200 PolarHBondContact O-N 2.95Å; M112-L200 HydrophobicContact CB-CD2 4.06Å; M112-L200 HydrophobicContact CG-CD2 3.82Å; V198-L200 HydrophobicContact CG1-CD2 3.94Å; V198-L200 HydrophobicContact CG1-CG 4.17Å; L200-E205 WeakPolarHBondContact CA-OE2 3.49Å; L200-E205 HydrophobicContact CB-CB 4.23Å; L200-E205 WeakPolarHBondContact CB-OE2 3.34Å; L200-E205 HydrophobicContact CD1-CB 4.25Å; L200-E205 HydrophobicContact CD2-CB 4.24Å; L200-E205 HydrophobicContact CG-CB 4.48Å; L200-V207 HydrophobicContact CD2-CG1 4.12Å; L200-V207 HydrophobicContact CD2-CG2 4.42Å
201	Q	98.6	Very high	98.4	Very high	13 Å²	13	21.2 Å²	21.2	6%	0.061	13%	0.132	C	C	.	.			trans	-139.1	-19.4	-175.5	177.1	-179.1	-42.2	0	0	114.5	Y71 G75 A81 Y111 L126 E205	Y71-Q201 WeakPolarHBondContact CE1-O 3.43Å; Y71-Q201 PolarHBondContact OH-O 3.43Å; G75-Q201 WeakPolarHBondContact CA-O 3.28Å; A81-Q201 HydrophobicContact CB-CB 4.22Å; A81-Q201 HydrophobicContact CB-CG 4.21Å; Y111-Q201 HydrophobicContact CD2-CG 4.36Å; Y111-Q201 PolarHBondContact O-N 3.49Å; L126-Q201 HydrophobicContact CD2-CB 4.34Å; Q201-E205 PolarHBondContact N-OE2 2.83Å
202	T	98.5	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-122.5	149.9	-175.6	84.1	0	0	0	0	115.1	Y71 R108 D109 Y111 G204 E205	Y71-T202 VanDerWaalsContact CD1-O 3.28Å; Y71-T202 WeakPolarHBondContact CD1-O 3.33Å; R108-T202 PolarHBondContact N-OG1 2.96Å; D109-T202 HydrophobicContact CB-CG2 3.97Å; D109-T202 PolarHBondContact N-OG1 3.02Å; D109-T202 WeakPolarHBondContact OD2-CG2 3.34Å; Y111-T202 HydrophobicContact CD2-CG2 3.36Å; Y111-T202 HydrophobicContact CE2-CG2 4.09Å; Y111-T202 HydrophobicContact CG-CG2 4.09Å; T202-G204 PolarHBondContact O-N 2.96Å; T202-E205 VanDerWaalsContact CB-OE1 3.3Å; T202-E205 WeakPolarHBondContact CB-OE1 3.41Å; T202-E205 WeakPolarHBondContact CG2-OE1 3.49Å; T202-E205 VanDerWaalsContact N-CD 3.25Å; T202-E205 PolarHBondContact N-OE1 2.94Å; T202-E205 PolarHBondContact N-OE2 2.64Å; T202-E205 WeakPolarHBondContact O-CB 3.32Å; T202-E205 WeakPolarHBondContact O-CG 3.41Å; T202-E205 PolarHBondContact O-N 3.29Å; T202-E205 VanDerWaalsContact OG1-CD 3.28Å; T202-E205 PolarHBondContact OG1-OE1 3.34Å
203	P	98.5	Very high	98.6	Very high	53 Å²	53	16.2 Å²	16.2	34%	0.344	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	137	-177.9	-26.6	36.8	0	0	0	113	G107 R108 E205	G107-P203 WeakPolarHBondContact CA-O 3.48Å; R108-P203 PolarHBondContact N-O 3.42Å; R108-P203 VanDerWaalsContact N-O 3.07Å; P203-E205 VanDerWaalsContact C-N 3.33Å
204	G	98.4	Very high	98.6	Very high	40 Å²	40	15.8 Å²	15.8	41%	0.412	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-0.6	180	0	0	0	0	0	114.9	S105 G107 T202 V206	S105-G204 VanDerWaalsContact CB-O 3.29Å; S105-G204 WeakPolarHBondContact CB-O 3.24Å; S105-G204 PolarHBondContact OG-O 3.24Å; G107-G204 VanDerWaalsContact CA-O 3.3Å; G107-G204 WeakPolarHBondContact CA-O 3.28Å; G107-G204 PolarHBondContact N-O 2.88Å; T202-G204 PolarHBondContact O-N 2.96Å; G204-V206 PolarHBondContact O-N 2.97Å
205	E	98.9	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.3	170.4	-77.3	166	-167.1	0	0	110.3	H70 Y71 S105 K106 G110 Y111 M112 L200 Q201 T202 P203	H70-E205 WeakPolarHBondContact CA-O 3.24Å; Y71-E205 PolarHBondContact N-O 3.23Å; S105-E205 WeakPolarHBondContact O-CA 3.42Å; K106-E205 WeakPolarHBondContact O-CG 3.42Å; G110-E205 PolarHBondContact N-OE1 2.86Å; Y111-E205 PolarHBondContact N-OE1 3.37Å; M112-E205 HydrophobicContact CG-CB 4.44Å; M112-E205 HydrophobicContact CG-CG 3.94Å; M112-E205 HydrophobicContact SD-CG 4.29Å; L200-E205 WeakPolarHBondContact CA-OE2 3.49Å; L200-E205 HydrophobicContact CB-CB 4.23Å; L200-E205 WeakPolarHBondContact CB-OE2 3.34Å; L200-E205 HydrophobicContact CD1-CB 4.25Å; L200-E205 HydrophobicContact CD2-CB 4.24Å; L200-E205 HydrophobicContact CG-CB 4.48Å; Q201-E205 PolarHBondContact N-OE2 2.83Å; T202-E205 VanDerWaalsContact CB-OE1 3.3Å; T202-E205 WeakPolarHBondContact CB-OE1 3.41Å; T202-E205 WeakPolarHBondContact CG2-OE1 3.49Å; T202-E205 VanDerWaalsContact N-CD 3.25Å; T202-E205 PolarHBondContact N-OE1 2.94Å; T202-E205 PolarHBondContact N-OE2 2.64Å; T202-E205 WeakPolarHBondContact O-CB 3.32Å; T202-E205 WeakPolarHBondContact O-CG 3.41Å; T202-E205 PolarHBondContact O-N 3.29Å; T202-E205 VanDerWaalsContact OG1-CD 3.28Å; T202-E205 PolarHBondContact OG1-OE1 3.34Å; P203-E205 VanDerWaalsContact C-N 3.33Å
206	V	98.9	Very high	98.6	Very high	28 Å²	28	20.6 Å²	20.6	17%	0.17	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	130.4	-179.5	-174.2	0	0	0	0	109.2	R68 V69 H70 I104 S105 G204	R68-V206 HydrophobicContact CG-CG1 3.79Å; V69-V206 WeakPolarHBondContact O-CA 3.49Å; H70-V206 HydrophobicContact CB-CG1 4.46Å; H70-V206 HydrophobicContact CB-CG2 4.03Å; I104-V206 WeakPolarHBondContact CA-O 3.4Å; I104-V206 HydrophobicContact CB-CB 4.12Å; I104-V206 HydrophobicContact CB-CG1 3.92Å; I104-V206 WeakPolarHBondContact CB-O 3.34Å; I104-V206 HydrophobicContact CG1-CG1 4.4Å; I104-V206 HydrophobicContact CG2-CB 4.43Å; I104-V206 HydrophobicContact CG2-CG1 4.12Å; I104-V206 PolarHBondContact N-O 3.38Å; S105-V206 PolarHBondContact N-O 3.44Å; S105-V206 PolarHBondContact O-N 2.92Å; G204-V206 PolarHBondContact O-N 2.97Å
207	V	98.9	Very high	98.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.4	174.9	-51.4	0	0	0	0	111.3	V69 V101 K102 I103 M112 V198 L200	V69-V207 HydrophobicContact CB-CG2 3.95Å; V69-V207 HydrophobicContact CG2-CG2 4.24Å; V69-V207 PolarHBondContact N-O 3.4Å; V69-V207 PolarHBondContact O-N 2.97Å; V101-V207 HydrophobicContact CG1-CB 3.64Å; V101-V207 HydrophobicContact CG1-CG1 4.26Å; V101-V207 HydrophobicContact CG1-CG2 3.66Å; K102-V207 CarbonylContact O-C 3.57Å; K102-V207 VanDerWaalsContact O-CA 3.24Å; K102-V207 WeakPolarHBondContact O-CA 3.32Å; K102-V207 WeakPolarHBondContact O-CB 3.35Å; I103-V207 HydrophobicContact CD1-CG1 3.69Å; M112-V207 HydrophobicContact SD-CG1 4.14Å; V198-V207 HydrophobicContact CG1-CG2 3.75Å; V198-V207 HydrophobicContact CG2-CG2 4.41Å; L200-V207 HydrophobicContact CD2-CG1 4.12Å; L200-V207 HydrophobicContact CD2-CG2 4.42Å
208	D	98.9	Very high	98.6	Very high	37 Å²	37	25.7 Å²	25.7	20%	0.198	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.8	174.7	-73.8	-13.5	0	0	0	110.2	R68 V101 K102 I104	R68-D208 WeakPolarHBondContact CA-OD1 3.44Å; R68-D208 WeakPolarHBondContact CB-OD1 3.29Å; R68-D208 WeakPolarHBondContact CG-OD1 3.27Å; R68-D208 IonicContact CZ-OD1 3.17Å; R68-D208 IonicContact CZ-OD2 3.91Å; R68-D208 IonicContact NE-OD1 3.51Å; R68-D208 PolarHBondContact NE-OD1 3.36Å; R68-D208 IonicContact NE-OD2 2.73Å; R68-D208 PolarHBondContact NE-OD2 3.48Å; R68-D208 IonicContact NH2-OD1 3.83Å; R68-D208 IonicContact NH2-OD2 3.6Å; R68-D208 PolarHBondContact NH2-OD2 2.95Å; V101-D208 CarbonylContact C-O 3.59Å; V101-D208 WeakPolarHBondContact CA-O 3.38Å; K102-D208 PolarHBondContact N-O 2.98Å; K102-D208 PolarHBondContact O-N 3.04Å; I104-D208 HydrophobicContact CD1-CB 4.2Å; I104-D208 VanDerWaalsContact CD1-OD2 3.29Å; I104-D208 WeakPolarHBondContact CD1-OD2 3.35Å; I104-D208 HydrophobicContact CG1-CB 4.11Å; I104-D208 WeakPolarHBondContact CG1-OD2 3.21Å
209	A	98.9	Very high	98.5	Very high	8 Å²	8	30.3 Å²	30.3	7%	0.066	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.8	172	0	0	0	0	0	112.6	W51 L67 E100 F211	W51-A209 HydrophobicContact CZ2-CB 3.62Å; W51-A209 VanDerWaalsContact NE1-CB 3.26Å; L67-A209 PolarHBondContact O-N 3.3Å; E100-A209 CarbonylContact O-C 3.6Å; E100-A209 WeakPolarHBondContact O-CA 3.41Å; A209-F211 HydrophobicContact CB-CD2 3.98Å; A209-F211 HydrophobicContact CB-CE1 4.47Å; A209-F211 HydrophobicContact CB-CE2 3.47Å; A209-F211 VanDerWaalsContact CB-CE2 3.47Å; A209-F211 HydrophobicContact CB-CZ 3.78Å
210	N	98.8	Very high	98.5	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.08	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.7	160.9	-177.9	16.7	0	0	0	108.1	F99 E100 G212 Q213 H214 P215 F216	F99-N210 WeakPolarHBondContact CA-O 3.5Å; E100-N210 HydrophobicContact CB-CB 4.33Å; E100-N210 PolarHBondContact N-O 3.42Å; E100-N210 PolarHBondContact O-N 3.04Å; N210-G212 VanDerWaalsContact C-N 3.3Å; N210-G212 WeakPolarHBondContact OD1-CA 3.46Å; N210-G212 PolarHBondContact OD1-N 3.03Å; N210-Q213 PolarHBondContact OD1-N 3.46Å; N210-H214 PolarHBondContact ND2-O 2.83Å; N210-H214 PolarHBondContact OD1-N 3.11Å; N210-H214 PolarHBondContact OD1-O 3.4Å; N210-P215 PolarHBondContact ND2-O 3.33Å; N210-F216 HydrophobicContact CB-CE1 4.38Å; N210-F216 WeakPolarHBondContact ND2-CD1 3.37Å; N210-F216 WeakPolarHBondContact O-CE1 3.34Å
211	F	98.7	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-94.2	15.5	172	-63.6	-67.9	0	0	0	111.9	L33 P48 R49 W51 L67 A86 Y97 F99 P196 A209	L33-F211 WeakPolarHBondContact CD2-O 3.21Å; P48-F211 WeakPolarHBondContact O-CB 3.46Å; R49-F211 WeakPolarHBondContact O-CD2 3.44Å; W51-F211 HydrophobicContact CD2-CE2 4.25Å; W51-F211 AromaticContact CD2-CZ 3.93Å; W51-F211 HydrophobicContact CD2-CZ 3.93Å; W51-F211 AromaticContact CE2-CZ 3.76Å; W51-F211 HydrophobicContact CE3-CZ 4.02Å; W51-F211 HydrophobicContact CH2-CE1 4.38Å; W51-F211 AromaticContact CH2-CZ 3.81Å; W51-F211 HydrophobicContact CH2-CZ 3.81Å; W51-F211 HydrophobicContact CZ2-CE2 4.42Å; W51-F211 AromaticContact CZ2-CZ 3.73Å; W51-F211 HydrophobicContact CZ2-CZ 3.73Å; W51-F211 AromaticContact CZ3-CZ 3.97Å; W51-F211 HydrophobicContact CZ3-CZ 3.97Å; L67-F211 HydrophobicContact CD2-CD2 3.85Å; L67-F211 HydrophobicContact CD2-CE2 4.24Å; A86-F211 HydrophobicContact CB-CE1 4.36Å; A86-F211 HydrophobicContact CB-CZ 4.23Å; Y97-F211 WeakPolarHBondContact OH-CD1 3.41Å; F99-F211 HydrophobicContact CB-CD1 3.85Å; F99-F211 HydrophobicContact CB-CE1 4.27Å; F99-F211 HydrophobicContact CD2-CD1 4.45Å; F99-F211 HydrophobicContact CD2-CE1 4.04Å; F99-F211 HydrophobicContact CG-CD1 4.34Å; F99-F211 HydrophobicContact CG-CE1 4.26Å; P196-F211 HydrophobicContact CB-CE1 3.79Å; P196-F211 HydrophobicContact CG-CE1 4.09Å; A209-F211 HydrophobicContact CB-CD2 3.98Å; A209-F211 HydrophobicContact CB-CE1 4.47Å; A209-F211 HydrophobicContact CB-CE2 3.47Å; A209-F211 VanDerWaalsContact CB-CE2 3.47Å; A209-F211 HydrophobicContact CB-CZ 3.78Å
212	G	98.3	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	111.5	6.7	-172.2	0	0	0	0	0	114.2	L29 R32 N210 H214	L29-G212 VanDerWaalsContact CD1-C 3.42Å; L29-G212 WeakPolarHBondContact CD1-O 3.28Å; R32-G212 WeakPolarHBondContact CD-O 3.39Å; R32-G212 PolarHBondContact NH1-O 3.21Å; N210-G212 VanDerWaalsContact C-N 3.3Å; N210-G212 WeakPolarHBondContact OD1-CA 3.46Å; N210-G212 PolarHBondContact OD1-N 3.03Å; G212-H214 PolarHBondContact O-N 2.68Å
213	Q	97.3	Very high	98.4	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.051	22%	0.219	C	C	.	.	S	Bend	trans	-63.3	-32.3	172.5	-73.4	78.4	16	0	0	112.3	L29 R32 R49 L67 N210	L29-Q213 HydrophobicContact CD1-CG 4.15Å; L29-Q213 HydrophobicContact CD2-CG 4.35Å; R32-Q213 PolarHBondContact NH1-O 2.66Å; R49-Q213 PolarHBondContact O-NE2 2.98Å; L67-Q213 HydrophobicContact CD1-CG 3.93Å; N210-Q213 PolarHBondContact OD1-N 3.46Å
214	H	97.5	Very high	98.3	Very high	96 Å²	96	36.3 Å²	36.3	44%	0.444	20%	0.203	S	C	.	.	S	Bend	trans	-127.5	161.3	-179.5	-59.5	-61.8	0	0	0	110.2	Q25 N210 G212	Q25-H214 PolarHBondContact NE2-CE1 2.92Å; N210-H214 PolarHBondContact ND2-O 2.83Å; N210-H214 PolarHBondContact OD1-N 3.11Å; N210-H214 PolarHBondContact OD1-O 3.4Å; G212-H214 PolarHBondContact O-N 2.68Å
215	P	98	Very high	98.2	Very high	97 Å²	97	41 Å²	41	63%	0.63	21%	0.208	S	C	*	.			trans	-51.5	141.7	165.6	-24.4	34.9	0	0	0	111.1	N210	N210-P215 PolarHBondContact ND2-O 3.33Å
216	F	98.7	Very high	98.1	Very high	32 Å²	32	46.9 Å²	46.9	14%	0.14	24%	0.236	C	C	.	.			trans	-79.6	156.1	175.2	-68.2	-62.4	0	0	0	111.2	L36 Y98 E100 N210 F218 I220	L36-F216 HydrophobicContact CD1-CE2 3.8Å; Y98-F216 HydrophobicContact CD1-CB 4.32Å; Y98-F216 AromaticContact CD1-CD1 3.7Å; Y98-F216 HydrophobicContact CD1-CD1 3.7Å; Y98-F216 AromaticContact CD1-CD2 3.79Å; Y98-F216 HydrophobicContact CD1-CD2 3.79Å; Y98-F216 AromaticContact CD1-CE1 3.84Å; Y98-F216 HydrophobicContact CD1-CE1 3.84Å; Y98-F216 AromaticContact CD1-CE2 3.92Å; Y98-F216 HydrophobicContact CD1-CE2 3.92Å; Y98-F216 AromaticContact CD1-CG 3.67Å; Y98-F216 HydrophobicContact CD1-CG 3.67Å; Y98-F216 AromaticContact CD1-CZ 3.94Å; Y98-F216 HydrophobicContact CD1-CZ 3.94Å; Y98-F216 HydrophobicContact CE1-CB 3.87Å; Y98-F216 AromaticContact CE1-CD1 3.63Å; Y98-F216 HydrophobicContact CE1-CD1 3.63Å; Y98-F216 HydrophobicContact CE1-CD2 4.23Å; Y98-F216 HydrophobicContact CE1-CE1 4.17Å; Y98-F216 AromaticContact CE1-CG 3.65Å; Y98-F216 HydrophobicContact CE1-CG 3.65Å; E100-F216 HydrophobicContact CB-CD1 4.08Å; E100-F216 HydrophobicContact CB-CE1 4.39Å; E100-F216 HydrophobicContact CG-CD1 3.81Å; E100-F216 HydrophobicContact CG-CE1 4.42Å; E100-F216 WeakPolarHBondContact OE2-CA 3.24Å; N210-F216 HydrophobicContact CB-CE1 4.38Å; N210-F216 WeakPolarHBondContact ND2-CD1 3.37Å; N210-F216 WeakPolarHBondContact O-CE1 3.34Å; F216-F218 WeakPolarHBondContact CB-O 3.35Å; F216-I220 HydrophobicContact CD2-CG2 3.67Å; F216-I220 HydrophobicContact CE2-CG2 4.24Å
217	V	98.8	Very high	97.9	Very high	80 Å²	80	46.8 Å²	46.8	49%	0.485	23%	0.232	S	C	.	.	S	Bend	trans	-78	-34.4	172.8	-173.2	0	0	0	0	110.7	E100 V162	E100-V217 PolarHBondContact OE1-N 3.08Å; E100-V217 PolarHBondContact OE2-N 3.36Å; V162-V217 HydrophobicContact CB-CG2 4.19Å; V162-V217 HydrophobicContact CG1-CB 4.49Å; V162-V217 HydrophobicContact CG1-CG2 3.94Å; V162-V217 HydrophobicContact CG2-CG2 4.16Å
218	F	98.7	Very high	97.6	Very high	28 Å²	28	51.1 Å²	51.1	12%	0.123	25%	0.249	C	C	.	.	S	Bend	trans	-82	139.3	169.8	-178.1	-115.5	0	0	0	111.6	Y98 E100 F175 T177 G180 F216 I220 Y223	Y98-F218 HydrophobicContact CE1-CB 4.02Å; Y98-F218 HydrophobicContact CE1-CD1 4.3Å; Y98-F218 HydrophobicContact CE2-CD1 4.07Å; Y98-F218 AromaticContact CZ-CD1 3.89Å; Y98-F218 WeakPolarHBondContact OH-CB 3.27Å; E100-F218 PolarHBondContact OE1-N 3.02Å; F175-F218 HydrophobicContact CE2-CE1 4.14Å; F175-F218 HydrophobicContact CE2-CZ 4.04Å; F175-F218 HydrophobicContact CZ-CE1 4.11Å; F175-F218 HydrophobicContact CZ-CZ 4.18Å; T177-F218 HydrophobicContact CG2-CB 4.17Å; T177-F218 HydrophobicContact CG2-CD1 4.04Å; T177-F218 HydrophobicContact CG2-CD2 3.83Å; T177-F218 HydrophobicContact CG2-CE1 4.39Å; T177-F218 HydrophobicContact CG2-CE2 4.2Å; T177-F218 HydrophobicContact CG2-CG 3.76Å; T177-F218 HydrophobicContact CG2-CZ 4.47Å; G180-F218 WeakPolarHBondContact O-CD2 3.4Å; F216-F218 WeakPolarHBondContact CB-O 3.35Å; F218-I220 HydrophobicContact CD1-CB 4.08Å; F218-I220 HydrophobicContact CD1-CD1 4.27Å; F218-I220 HydrophobicContact CE1-CB 4.48Å; F218-I220 HydrophobicContact CE1-CD1 4.08Å; F218-I220 PolarHBondContact O-N 3.07Å; F218-Y223 HydrophobicContact CE1-CG 4.41Å
219	D	98.4	Very high	97.4	Very high	98 Å²	98	53.9 Å²	53.9	52%	0.524	27%	0.267	S	S	.	.			trans	-76.1	79.4	169.8	-165	-19.5	0	0	0	110.7	E221 D222 Y223	D219-E221 PolarHBondContact O-N 2.92Å; D219-E221 PolarHBondContact OD1-N 3.45Å; D219-E221 VanDerWaalsContact OD1-N 3.15Å; D219-D222 HydrophobicContact CB-CB 4.43Å; D219-D222 PolarHBondContact OD1-N 2.98Å; D219-Y223 PolarHBondContact O-N 3.21Å
220	I	98.5	Very high	97.2	Very high	4 Å²	4	58 Å²	58	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-24.6	175.4	-172.5	61	0	0	0	112.4	L36 V96 Y98 F216 F218 Y223 M224	L36-I220 HydrophobicContact CD2-CG2 3.86Å; V96-I220 HydrophobicContact CG1-CD1 4.05Å; Y98-I220 HydrophobicContact CD1-CB 3.92Å; Y98-I220 HydrophobicContact CD1-CD1 4.39Å; Y98-I220 HydrophobicContact CD1-CG1 4.07Å; Y98-I220 HydrophobicContact CD1-CG2 4.24Å; Y98-I220 HydrophobicContact CD2-CD1 4.07Å; Y98-I220 HydrophobicContact CE1-CB 4.46Å; Y98-I220 HydrophobicContact CG-CB 4.2Å; Y98-I220 HydrophobicContact CG-CD1 3.8Å; Y98-I220 HydrophobicContact CG-CG1 3.86Å; F216-I220 HydrophobicContact CD2-CG2 3.67Å; F216-I220 HydrophobicContact CE2-CG2 4.24Å; F218-I220 HydrophobicContact CD1-CB 4.08Å; F218-I220 HydrophobicContact CD1-CD1 4.27Å; F218-I220 HydrophobicContact CE1-CB 4.48Å; F218-I220 HydrophobicContact CE1-CD1 4.08Å; F218-I220 PolarHBondContact O-N 3.07Å; I220-Y223 HydrophobicContact CD1-CD1 4.04Å; I220-Y223 PolarHBondContact O-N 2.71Å; I220-M224 HydrophobicContact CD1-CE 4.44Å; I220-M224 HydrophobicContact CG1-CE 3.84Å; I220-M224 HydrophobicContact CG1-CG 4.33Å; I220-M224 HydrophobicContact CG1-SD 4.21Å; I220-M224 WeakPolarHBondContact O-CB 3.48Å; I220-M224 VanDerWaalsContact O-CG 3.25Å; I220-M224 WeakPolarHBondContact O-CG 3.26Å; I220-M224 PolarHBondContact O-N 3.09Å
221	E	97.6	Very high	97	Very high	56 Å²	56	57.7 Å²	57.7	26%	0.262	28%	0.281	S	S	.	.	H	α-helix	trans	-76.4	-35.2	-175.4	-60.9	-163.6	143.6	0	0	111.5	R35 L36 D219 R225	R35-E221 IonicContact CZ-OE1 2.78Å; R35-E221 IonicContact CZ-OE2 3.52Å; R35-E221 IonicContact NE-OE1 3.49Å; R35-E221 PolarHBondContact NE-OE1 2.82Å; R35-E221 IonicContact NE-OE2 2.71Å; R35-E221 IonicContact NH2-OE1 3.43Å; R35-E221 PolarHBondContact NH2-OE1 2.87Å; R35-E221 IonicContact NH2-OE2 3.54Å; R35-E221 PolarHBondContact NH2-OE2 3.31Å; L36-E221 HydrophobicContact CD2-CG 3.73Å; D219-E221 PolarHBondContact O-N 2.92Å; D219-E221 PolarHBondContact OD1-N 3.45Å; D219-E221 VanDerWaalsContact OD1-N 3.15Å; E221-R225 WeakPolarHBondContact O-CB 3.27Å; E221-R225 PolarHBondContact O-N 3.38Å
222	D	97.5	Very high	96.7	Very high	92 Å²	92	60.1 Å²	60.1	49%	0.492	29%	0.293	S	S	.	.	H	α-helix	trans	-66.2	-44.6	169.6	-162.4	56.8	0	0	0	112.1	D219 M224 R225 E226	D219-D222 HydrophobicContact CB-CB 4.43Å; D219-D222 PolarHBondContact OD1-N 2.98Å; D222-M224 VanDerWaalsContact C-N 3.33Å; D222-M224 PolarHBondContact O-N 2.81Å; D222-R225 WeakPolarHBondContact O-CA 3.47Å; D222-R225 VanDerWaalsContact O-CB 3.24Å; D222-R225 WeakPolarHBondContact O-CB 3.24Å; D222-R225 PolarHBondContact O-N 2.79Å; D222-R225 IonicContact OD1-NE 3.51Å; D222-E226 PolarHBondContact O-N 3.22Å; D222-E226 VanDerWaalsContact O-N 3.1Å
223	Y	97.8	Very high	96.5	Very high	39 Å²	39	61.9 Å²	61.9	15%	0.153	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-40.6	174.1	179.2	-96.5	0	0	0	112.9	V96 F175 F218 D219 I220 R225 W227	V96-Y223 HydrophobicContact CG1-CD1 4.04Å; V96-Y223 HydrophobicContact CG1-CE1 3.84Å; V96-Y223 HydrophobicContact CG2-CE1 4.01Å; F175-Y223 HydrophobicContact CE1-CD1 4.41Å; F175-Y223 HydrophobicContact CE1-CD2 4.44Å; F175-Y223 AromaticContact CE1-CE1 3.78Å; F175-Y223 HydrophobicContact CE1-CE1 3.78Å; F175-Y223 AromaticContact CE1-CE2 3.8Å; F175-Y223 HydrophobicContact CE1-CE2 3.8Å; F175-Y223 AromaticContact CE1-CZ 3.43Å; F175-Y223 VanDerWaalsContact CE1-CZ 3.43Å; F175-Y223 HydrophobicContact CZ-CD1 4.25Å; F175-Y223 HydrophobicContact CZ-CD2 4.14Å; F175-Y223 HydrophobicContact CZ-CE1 4.08Å; F175-Y223 AromaticContact CZ-CE2 3.95Å; F175-Y223 HydrophobicContact CZ-CE2 3.95Å; F175-Y223 HydrophobicContact CZ-CG 4.29Å; F175-Y223 AromaticContact CZ-CZ 3.93Å; F218-Y223 HydrophobicContact CE1-CG 4.41Å; D219-Y223 PolarHBondContact O-N 3.21Å; I220-Y223 HydrophobicContact CD1-CD1 4.04Å; I220-Y223 PolarHBondContact O-N 2.71Å; Y223-R225 VanDerWaalsContact C-N 3.33Å; Y223-W227 AromaticContact CE1-CD1 3.76Å; Y223-W227 AromaticContact CE1-NE1 3.92Å; Y223-W227 AromaticContact CE2-NE1 3.89Å; Y223-W227 AromaticContact CZ-CD1 3.62Å; Y223-W227 AromaticContact CZ-NE1 3.35Å; Y223-W227 VanDerWaalsContact CZ-NE1 3.35Å; Y223-W227 PolarHBondContact O-N 3.38Å; Y223-W227 PolarHBondContact OH-NE1 3.34Å
224	M	97.8	Very high	96.3	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-35.1	173.2	-76.3	173.9	171.3	0	0	112.3	L36 Y37 V96 I220 D222 W227 R228 F589	L36-M224 HydrophobicContact CB-CE 4.38Å; L36-M224 HydrophobicContact CD2-CE 4.22Å; L36-M224 HydrophobicContact CD2-SD 3.85Å; Y37-M224 HydrophobicContact CD1-CE 4.15Å; Y37-M224 HydrophobicContact CE1-CE 3.57Å; V96-M224 HydrophobicContact CB-CE 4.18Å; V96-M224 HydrophobicContact CB-CG 4.21Å; V96-M224 HydrophobicContact CG1-CE 4.19Å; V96-M224 HydrophobicContact CG1-CG 4.36Å; V96-M224 VanDerWaalsContact O-CE 3.31Å; V96-M224 WeakPolarHBondContact O-CE 3.36Å; I220-M224 HydrophobicContact CD1-CE 4.44Å; I220-M224 HydrophobicContact CG1-CE 3.84Å; I220-M224 HydrophobicContact CG1-CG 4.33Å; I220-M224 HydrophobicContact CG1-SD 4.21Å; I220-M224 WeakPolarHBondContact O-CB 3.48Å; I220-M224 VanDerWaalsContact O-CG 3.25Å; I220-M224 WeakPolarHBondContact O-CG 3.26Å; I220-M224 PolarHBondContact O-N 3.09Å; D222-M224 VanDerWaalsContact C-N 3.33Å; D222-M224 PolarHBondContact O-N 2.81Å; M224-W227 PolarHBondContact O-N 2.87Å; M224-R228 WeakPolarHBondContact O-CG 3.4Å; M224-R228 PolarHBondContact O-N 2.86Å; M224-F589 HydrophobicContact CB-CZ 4.46Å; M224-F589 HydrophobicContact CG-CZ 4.33Å
225	R	96	Very high	96	Very high	139 Å²	139	65.5 Å²	65.5	53%	0.525	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-44.9	178	-164.5	-167.5	-46.7	-76.4	-8.4	111.3	E221 D222 Y223 W227 R228 T229	E221-R225 WeakPolarHBondContact O-CB 3.27Å; E221-R225 PolarHBondContact O-N 3.38Å; D222-R225 WeakPolarHBondContact O-CA 3.47Å; D222-R225 VanDerWaalsContact O-CB 3.24Å; D222-R225 WeakPolarHBondContact O-CB 3.24Å; D222-R225 PolarHBondContact O-N 2.79Å; D222-R225 IonicContact OD1-NE 3.51Å; Y223-R225 VanDerWaalsContact C-N 3.33Å; R225-W227 VanDerWaalsContact C-N 3.31Å; R225-W227 PolarHBondContact O-N 2.87Å; R225-R228 PolarHBondContact O-N 2.6Å; R225-T229 PolarHBondContact O-N 3.41Å; R225-T229 PolarHBondContact O-OG1 2.77Å
226	E	95.7	Very high	95.6	Very high	123 Å²	123	65.6 Å²	65.6	58%	0.575	32%	0.319	S	S	*	.	H	α-helix	trans	-55.4	-47.2	175.2	-167.8	-163.7	155.3	0	0	111.1	D222 T229 K230	D222-E226 PolarHBondContact O-N 3.22Å; D222-E226 VanDerWaalsContact O-N 3.1Å; E226-T229 PolarHBondContact O-N 2.98Å; E226-K230 WeakPolarHBondContact O-CB 3.4Å; E226-K230 PolarHBondContact O-N 3.26Å
227	W	95	Very high	95.3	Very high	25 Å²	25	73.5 Å²	73.5	10%	0.095	35%	0.348	C	S	.	.	H	α-helix	trans	-67.5	-37.1	178.2	-85.1	93.8	0	0	0	113.8	N168 I170 N171 Y223 M224 R225 K230 I231 F589	N168-W227 WeakPolarHBondContact ND2-CZ2 3.5Å; N168-W227 PolarHBondContact ND2-NE1 2.92Å; I170-W227 HydrophobicContact CB-CE3 4.43Å; I170-W227 HydrophobicContact CB-CZ3 4.18Å; I170-W227 HydrophobicContact CD1-CD2 4.3Å; I170-W227 HydrophobicContact CD1-CE3 3.72Å; I170-W227 HydrophobicContact CD1-CZ3 4.33Å; I170-W227 HydrophobicContact CG2-CE3 4.19Å; I170-W227 HydrophobicContact CG2-CZ3 3.75Å; N171-W227 HydrophobicContact CB-CH2 4.22Å; Y223-W227 AromaticContact CE1-CD1 3.76Å; Y223-W227 AromaticContact CE1-NE1 3.92Å; Y223-W227 AromaticContact CE2-NE1 3.89Å; Y223-W227 AromaticContact CZ-CD1 3.62Å; Y223-W227 AromaticContact CZ-NE1 3.35Å; Y223-W227 VanDerWaalsContact CZ-NE1 3.35Å; Y223-W227 PolarHBondContact O-N 3.38Å; Y223-W227 PolarHBondContact OH-NE1 3.34Å; M224-W227 PolarHBondContact O-N 2.87Å; R225-W227 VanDerWaalsContact C-N 3.31Å; R225-W227 PolarHBondContact O-N 2.87Å; W227-K230 HydrophobicContact CE3-CD 4.16Å; W227-K230 HydrophobicContact CZ3-CD 4.15Å; W227-K230 PolarHBondContact O-N 2.87Å; W227-I231 WeakPolarHBondContact O-CG1 3.46Å; W227-I231 PolarHBondContact O-N 3.48Å; W227-F589 HydrophobicContact CB-CD2 3.92Å; W227-F589 HydrophobicContact CB-CE2 3.58Å
228	R	93.8	Very high	94.8	Very high	93 Å²	93	76.9 Å²	76.9	35%	0.351	36%	0.356	S	S	.	.	H	α-helix	trans	-60.2	-51.1	172.6	-72.8	171.2	-172.3	169.6	2.4	110.9	M224 R225 K230 I231 Q232 F589	M224-R228 WeakPolarHBondContact O-CG 3.4Å; M224-R228 PolarHBondContact O-N 2.86Å; R225-R228 PolarHBondContact O-N 2.6Å; R228-K230 VanDerWaalsContact C-N 3.26Å; R228-K230 PolarHBondContact O-N 3.34Å; R228-I231 PolarHBondContact O-N 3.43Å; R228-Q232 VanDerWaalsContact O-CB 3.26Å; R228-Q232 WeakPolarHBondContact O-CB 3.44Å; R228-Q232 PolarHBondContact O-N 3.01Å; R228-F589 HydrophobicContact CB-CG 4.5Å; R228-F589 HydrophobicContact CG-CB 3.91Å; R228-F589 HydrophobicContact CG-CD1 3.48Å; R228-F589 VanDerWaalsContact CG-CD1 3.48Å; R228-F589 HydrophobicContact CG-CD2 4.08Å; R228-F589 HydrophobicContact CG-CE1 4.03Å; R228-F589 HydrophobicContact CG-CG 3.55Å
229	T	94.2	Very high	94.2	Very high	95 Å²	95	80.2 Å²	80.2	58%	0.583	38%	0.381	S	S	*	.	H	α-helix	trans	-58.9	-38	176.5	-59.1	0	0	0	0	112.2	R225 E226 S233	R225-T229 PolarHBondContact O-N 3.41Å; R225-T229 PolarHBondContact O-OG1 2.77Å; E226-T229 PolarHBondContact O-N 2.98Å; T229-S233 WeakPolarHBondContact O-CB 3.25Å; T229-S233 PolarHBondContact O-N 3.01Å
230	K	94.7	Very high	93.2	Very high	94 Å²	94	81.4 Å²	81.4	41%	0.409	39%	0.386	S	S	.	.	H	α-helix	trans	-67.4	-44.6	177.7	-175.2	177.6	179.8	178.9	0	113.1	E226 W227 R228 Q234	E226-K230 WeakPolarHBondContact O-CB 3.4Å; E226-K230 PolarHBondContact O-N 3.26Å; W227-K230 HydrophobicContact CE3-CD 4.16Å; W227-K230 HydrophobicContact CZ3-CD 4.15Å; W227-K230 PolarHBondContact O-N 2.87Å; R228-K230 VanDerWaalsContact C-N 3.26Å; R228-K230 PolarHBondContact O-N 3.34Å; K230-Q234 WeakPolarHBondContact O-CG 3.49Å; K230-Q234 PolarHBondContact O-N 3.43Å
231	I	93.6	Very high	91.9	Very high	8 Å²	8	83.6 Å²	83.6	4%	0.041	41%	0.409	C	S	.	.	H	α-helix	trans	-67.6	-45.1	176.7	-68.2	-61	0	0	0	110.5	I170 W227 R228 S233 Q234 I235 F589	I170-I231 HydrophobicContact CD1-CG1 4.33Å; I170-I231 HydrophobicContact CG2-CD1 4Å; W227-I231 WeakPolarHBondContact O-CG1 3.46Å; W227-I231 PolarHBondContact O-N 3.48Å; R228-I231 PolarHBondContact O-N 3.43Å; I231-S233 PolarHBondContact O-N 2.73Å; I231-Q234 WeakPolarHBondContact O-CA 3.47Å; I231-Q234 WeakPolarHBondContact O-CB 3.44Å; I231-Q234 PolarHBondContact O-N 3.2Å; I231-I235 HydrophobicContact CG2-CD1 3.97Å; I231-I235 WeakPolarHBondContact O-CG1 3.35Å; I231-I235 PolarHBondContact O-N 3.48Å; I231-F589 HydrophobicContact CB-CB 4.24Å; I231-F589 HydrophobicContact CG1-CB 4.37Å; I231-F589 HydrophobicContact CG1-CD2 4.48Å; I231-F589 HydrophobicContact CG2-CB 4.3Å; I231-F589 WeakPolarHBondContact CG2-O 3.47Å
232	Q	92.7	Very high	90.3	Very high	52 Å²	52	90.2 Å²	90.2	24%	0.243	44%	0.441	C	S	.	.	H	α-helix	trans	-54	-52.1	174.9	-176.8	55.8	35.9	0	0	111.3	R228 Q234 I235 D236 Y595	R228-Q232 VanDerWaalsContact O-CB 3.26Å; R228-Q232 WeakPolarHBondContact O-CB 3.44Å; R228-Q232 PolarHBondContact O-N 3.01Å; Q232-Q234 PolarHBondContact O-N 2.99Å; Q232-Q234 VanDerWaalsContact O-N 3.14Å; Q232-I235 PolarHBondContact O-N 2.96Å; Q232-D236 WeakPolarHBondContact CG-OD2 3.38Å; Q232-D236 PolarHBondContact NE2-OD1 3.18Å; Q232-D236 PolarHBondContact NE2-OD2 2.93Å; Q232-D236 PolarHBondContact O-N 3.11Å; Q232-Y595 PolarHBondContact NE2-OH 3.47Å; Q232-Y595 PolarHBondContact OE1-OH 3.09Å
233	S	93.9	Very high	88.5	Confident	37 Å²	37	93.9 Å²	93.9	26%	0.259	45%	0.447	S	S	.	.	H	α-helix	trans	-64.9	-17.5	176.9	-178.9	0	0	0	0	114.4	T229 I231 R237	T229-S233 WeakPolarHBondContact O-CB 3.25Å; T229-S233 PolarHBondContact O-N 3.01Å; I231-S233 PolarHBondContact O-N 2.73Å; S233-R237 WeakPolarHBondContact O-CB 3.35Å; S233-R237 WeakPolarHBondContact O-CD 3.49Å; S233-R237 VanDerWaalsContact O-CG 3.24Å; S233-R237 WeakPolarHBondContact O-CG 3.3Å; S233-R237 PolarHBondContact OG-NE 3.24Å
234	Q	93.5	Very high	86.5	Confident	113 Å²	113	100 Å²	100	53%	0.528	48%	0.478	S	S	.	.	H	α-helix	trans	-80.9	-35.4	171.6	-77	178.2	-9.6	0	0	111.7	K230 I231 Q232 F238	K230-Q234 WeakPolarHBondContact O-CG 3.49Å; K230-Q234 PolarHBondContact O-N 3.43Å; I231-Q234 WeakPolarHBondContact O-CA 3.47Å; I231-Q234 WeakPolarHBondContact O-CB 3.44Å; I231-Q234 PolarHBondContact O-N 3.2Å; Q232-Q234 PolarHBondContact O-N 2.99Å; Q232-Q234 VanDerWaalsContact O-N 3.14Å; Q234-F238 PolarHBondContact O-N 3.09Å; Q234-F238 VanDerWaalsContact O-N 3.16Å
235	I	91.4	Very high	85	Confident	69 Å²	69	101.7 Å²	101.7	35%	0.354	50%	0.495	S	S	.	.	H	α-helix	trans	-70.1	-50.4	175.7	-61	163.7	0	0	0	109.7	I231 Q232 R237 F238 A590 Y595	I231-I235 HydrophobicContact CG2-CD1 3.97Å; I231-I235 WeakPolarHBondContact O-CG1 3.35Å; I231-I235 PolarHBondContact O-N 3.48Å; Q232-I235 PolarHBondContact O-N 2.96Å; I235-R237 PolarHBondContact O-N 3.35Å; I235-R237 VanDerWaalsContact O-N 3.11Å; I235-F238 VanDerWaalsContact O-CB 3.27Å; I235-F238 WeakPolarHBondContact O-CB 3.22Å; I235-F238 PolarHBondContact O-N 3.45Å; I235-A590 HydrophobicContact CD1-CB 3.74Å; I235-Y595 HydrophobicContact CG2-CE1 4.44Å; I235-Y595 VanDerWaalsContact CG2-OH 3.27Å; I235-Y595 WeakPolarHBondContact CG2-OH 3.26Å
236	D	90.1	Very high	84.1	Confident	100 Å²	100	100.2 Å²	100.2	54%	0.535	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26	-179.5	-65.5	-33.3	0	0	0	113.7	Q232	Q232-D236 WeakPolarHBondContact CG-OD2 3.38Å; Q232-D236 PolarHBondContact NE2-OD1 3.18Å; Q232-D236 PolarHBondContact NE2-OD2 2.93Å; Q232-D236 PolarHBondContact O-N 3.11Å
237	R	91.4	Very high	83.5	Confident	198 Å²	198	99.5 Å²	99.5	75%	0.747	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	7.3	179.3	-60.7	179.6	-173.9	176.9	3.5	112.9	S233 I235	S233-R237 WeakPolarHBondContact O-CB 3.35Å; S233-R237 WeakPolarHBondContact O-CD 3.49Å; S233-R237 VanDerWaalsContact O-CG 3.24Å; S233-R237 WeakPolarHBondContact O-CG 3.3Å; S233-R237 PolarHBondContact OG-NE 3.24Å; I235-R237 PolarHBondContact O-N 3.35Å; I235-R237 VanDerWaalsContact O-N 3.11Å
238	F	89.5	Confident	83.1	Confident	150 Å²	150	103.2 Å²	103.2	66%	0.658	50%	0.504	S	S	*	.			trans	-65.7	125.5	179.9	-168.9	-91.1	0	0	0	109.2	Q234 I235 I240	Q234-F238 PolarHBondContact O-N 3.09Å; Q234-F238 VanDerWaalsContact O-N 3.16Å; I235-F238 VanDerWaalsContact O-CB 3.27Å; I235-F238 WeakPolarHBondContact O-CB 3.22Å; I235-F238 PolarHBondContact O-N 3.45Å; F238-I240 PolarHBondContact O-N 3.27Å
239	P	85.5	Confident	82.7	Confident	99 Å²	99	100.3 Å²	100.3	64%	0.643	50%	0.5	S	S	*	.			trans	-68.7	106.2	-173.7	26.7	-34	0	0	0	110.6	G241	P239-G241 PolarHBondContact O-N 2.94Å; P239-G241 VanDerWaalsContact O-N 3.16Å
240	I	77.1	Confident	82.5	Confident	122 Å²	122	101.3 Å²	101.3	63%	0.626	50%	0.5	S	S	*	.			trans	-67.9	108	160.1	-53.1	177.3	0	0	0	105.2	F238 W247	F238-I240 PolarHBondContact O-N 3.27Å; I240-W247 HydrophobicContact CG2-CB 4.46Å; I240-W247 HydrophobicContact CG2-CG 4.13Å
241	G	71.2	Confident	82.3	Confident	50 Å²	50	100.9 Å²	100.9	52%	0.515	50%	0.501	S	S	.	.			trans	-56.6	158	-167.7	0	0	0	0	0	114	P239 R243	P239-G241 PolarHBondContact O-N 2.94Å; P239-G241 VanDerWaalsContact O-N 3.16Å; G241-R243 PolarHBondContact O-N 3.4Å
242	E	64.1	Low	82.3	Confident	196 Å²	196	102.4 Å²	102.4	92%	0.916	51%	0.508	S	S	*	.	S	Bend	trans	-53.3	6.6	-165	-59.2	-178.7	161.9	0	0	118.3	E244	E242-E244 PolarHBondContact O-N 3.41Å
243	R	59.5	Low	82.3	Confident	168 Å²	168	106 Å²	106	63%	0.634	52%	0.523	S	S	*	.			trans	-76.8	51.6	168.9	-49.4	-159.6	-168.9	-171.4	-0.3	111.7	G241 G245 E246	G241-R243 PolarHBondContact O-N 3.4Å; R243-G245 PolarHBondContact O-N 2.88Å; R243-E246 HydrophobicContact CB-CB 4.01Å; R243-E246 HydrophobicContact CB-CG 4.17Å; R243-E246 WeakPolarHBondContact CD-OE2 3.28Å; R243-E246 IonicContact CZ-OE2 2.73Å; R243-E246 IonicContact NE-OE2 3.68Å; R243-E246 IonicContact NH1-OE1 3.3Å; R243-E246 IonicContact NH1-OE2 3.67Å; R243-E246 PolarHBondContact NH1-OE2 3.37Å; R243-E246 PolarHBondContact O-N 3.16Å; R243-E246 VanDerWaalsContact O-N 3.1Å
244	E	55.4	Low	82.3	Confident	169 Å²	169	106 Å²	106	79%	0.79	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	131.9	172.4	-65.3	-170.8	141.9	0	0	109.5	E242	E242-E244 PolarHBondContact O-N 3.41Å
245	G	65.8	Low	82.3	Confident	36 Å²	36	102.5 Å²	102.5	37%	0.371	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-40	-171.8	0	0	0	0	0	115.1	R243 Q248 A249	R243-G245 PolarHBondContact O-N 2.88Å; G245-Q248 PolarHBondContact O-N 3.5Å; G245-A249 WeakPolarHBondContact O-CB 3.5Å; G245-A249 PolarHBondContact O-N 3.07Å
246	E	78.3	Confident	82.5	Confident	107 Å²	107	99.7 Å²	99.7	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-45.7	176.8	-76.5	-169.4	-163	0	0	111.2	R243 M250	R243-E246 HydrophobicContact CB-CB 4.01Å; R243-E246 HydrophobicContact CB-CG 4.17Å; R243-E246 WeakPolarHBondContact CD-OE2 3.28Å; R243-E246 IonicContact CZ-OE2 2.73Å; R243-E246 IonicContact NE-OE2 3.68Å; R243-E246 IonicContact NH1-OE1 3.3Å; R243-E246 IonicContact NH1-OE2 3.67Å; R243-E246 PolarHBondContact NH1-OE2 3.37Å; R243-E246 PolarHBondContact O-N 3.16Å; R243-E246 VanDerWaalsContact O-N 3.1Å; E246-M250 WeakPolarHBondContact O-CB 3.3Å; E246-M250 PolarHBondContact O-N 3.3Å
247	W	82.4	Confident	82.7	Confident	109 Å²	109	97 Å²	97	41%	0.413	48%	0.482	S	S	.	.	H	α-helix	trans	-67.5	-36.3	178.3	69.8	-99.5	0	0	0	111.9	I240 M250 I251	I240-W247 HydrophobicContact CG2-CB 4.46Å; I240-W247 HydrophobicContact CG2-CG 4.13Å; W247-M250 WeakPolarHBondContact O-CB 3.43Å; W247-M250 PolarHBondContact O-N 3.04Å; W247-I251 HydrophobicContact CE3-CD1 3.71Å; W247-I251 HydrophobicContact CE3-CG1 4.5Å; W247-I251 HydrophobicContact CZ3-CD1 3.93Å; W247-I251 WeakPolarHBondContact O-CG1 3.38Å; W247-I251 PolarHBondContact O-N 2.87Å
248	Q	86.3	Confident	82.8	Confident	102 Å²	102	91.3 Å²	91.3	48%	0.477	46%	0.461	S	S	.	.	H	α-helix	trans	-66.7	-46.5	179.1	-171.2	-177.8	9.2	0	0	110.7	G245 M250 I251 Q252	G245-Q248 PolarHBondContact O-N 3.5Å; Q248-M250 VanDerWaalsContact C-N 3.28Å; Q248-M250 PolarHBondContact O-N 2.87Å; Q248-I251 PolarHBondContact O-N 3.43Å; Q248-Q252 WeakPolarHBondContact O-CB 3.37Å; Q248-Q252 VanDerWaalsContact O-CG 3.27Å; Q248-Q252 WeakPolarHBondContact O-CG 3.39Å; Q248-Q252 PolarHBondContact O-N 3.49Å
249	A	87.2	Confident	83.1	Confident	32 Å²	32	85.1 Å²	85.1	26%	0.264	43%	0.434	S	S	.	.	H	α-helix	trans	-63	-33.9	173.9	0	0	0	0	0	112.1	G245 K253	G245-A249 WeakPolarHBondContact O-CB 3.5Å; G245-A249 PolarHBondContact O-N 3.07Å; A249-K253 VanDerWaalsContact O-CG 3.28Å; A249-K253 WeakPolarHBondContact O-CG 3.46Å; A249-K253 PolarHBondContact O-N 3.14Å
250	M	89	Confident	83.5	Confident	116 Å²	116	81.1 Å²	81.1	57%	0.571	41%	0.409	S	S	*	.	H	α-helix	trans	-65.7	-48.3	174	-171.4	-176.6	-59.6	0	0	111.8	E246 W247 Q248 Q252 K253 M254	E246-M250 WeakPolarHBondContact O-CB 3.3Å; E246-M250 PolarHBondContact O-N 3.3Å; W247-M250 WeakPolarHBondContact O-CB 3.43Å; W247-M250 PolarHBondContact O-N 3.04Å; Q248-M250 VanDerWaalsContact C-N 3.28Å; Q248-M250 PolarHBondContact O-N 2.87Å; M250-Q252 VanDerWaalsContact C-N 3.35Å; M250-Q252 PolarHBondContact O-N 3.23Å; M250-K253 WeakPolarHBondContact O-CB 3.38Å; M250-K253 PolarHBondContact O-N 3.01Å; M250-M254 HydrophobicContact CG-SD 4.22Å; M250-M254 WeakPolarHBondContact O-CG 3.4Å; M250-M254 PolarHBondContact O-N 3.19Å
251	I	90.6	Very high	84.3	Confident	85 Å²	85	75.9 Å²	75.9	44%	0.436	38%	0.381	S	S	.	.	H	α-helix	trans	-61.8	-43.3	176.6	-69.4	-179.6	0	0	0	110.6	W247 Q248 K253 M254 V255	W247-I251 HydrophobicContact CE3-CD1 3.71Å; W247-I251 HydrophobicContact CE3-CG1 4.5Å; W247-I251 HydrophobicContact CZ3-CD1 3.93Å; W247-I251 WeakPolarHBondContact O-CG1 3.38Å; W247-I251 PolarHBondContact O-N 2.87Å; Q248-I251 PolarHBondContact O-N 3.43Å; I251-K253 VanDerWaalsContact C-N 3.32Å; I251-K253 PolarHBondContact O-N 3.15Å; I251-M254 WeakPolarHBondContact O-CB 2.99Å; I251-M254 PolarHBondContact O-N 2.93Å; I251-M254 VanDerWaalsContact O-N 3.09Å; I251-V255 HydrophobicContact CG2-CG2 4.25Å; I251-V255 WeakPolarHBondContact O-CG2 3.08Å; I251-V255 PolarHBondContact O-N 3.45Å
252	Q	93.1	Very high	85.4	Confident	40 Å²	40	75.2 Å²	75.2	19%	0.187	37%	0.365	C	S	.	.	H	α-helix	trans	-57.5	-43.2	175.3	-73.1	168.2	-10.1	0	0	111.9	Q248 M250 M254 V255 A256 F271 T275 Q277	Q248-Q252 WeakPolarHBondContact O-CB 3.37Å; Q248-Q252 VanDerWaalsContact O-CG 3.27Å; Q248-Q252 WeakPolarHBondContact O-CG 3.39Å; Q248-Q252 PolarHBondContact O-N 3.49Å; M250-Q252 VanDerWaalsContact C-N 3.35Å; M250-Q252 PolarHBondContact O-N 3.23Å; Q252-M254 PolarHBondContact O-N 3.36Å; Q252-V255 PolarHBondContact O-N 2.77Å; Q252-A256 WeakPolarHBondContact O-CB 3.41Å; Q252-A256 PolarHBondContact O-N 3.3Å; Q252-F271 HydrophobicContact CB-CE1 4.35Å; Q252-F271 HydrophobicContact CB-CZ 4.33Å; Q252-F271 HydrophobicContact CG-CZ 4.25Å; Q252-F271 WeakPolarHBondContact O-CE1 3.45Å; Q252-T275 HydrophobicContact CG-CG2 4.05Å; Q252-Q277 HydrophobicContact CB-CG 4.11Å
253	K	92.7	Very high	86.8	Confident	128 Å²	128	66 Å²	66	56%	0.557	32%	0.321	S	S	*	.	H	α-helix	trans	-62.7	-40.6	173.6	-72.8	169.7	-176.3	176.9	0	112.8	A249 M250 I251 S257 Q277	A249-K253 VanDerWaalsContact O-CG 3.28Å; A249-K253 WeakPolarHBondContact O-CG 3.46Å; A249-K253 PolarHBondContact O-N 3.14Å; M250-K253 WeakPolarHBondContact O-CB 3.38Å; M250-K253 PolarHBondContact O-N 3.01Å; I251-K253 VanDerWaalsContact C-N 3.32Å; I251-K253 PolarHBondContact O-N 3.15Å; K253-S257 VanDerWaalsContact O-CB 3.25Å; K253-S257 WeakPolarHBondContact O-CB 3.48Å; K253-S257 PolarHBondContact O-N 3.45Å; K253-Q277 VanDerWaalsContact CE-OE1 3.3Å
254	M	93.8	Very high	88.4	Confident	36 Å²	36	63.2 Å²	63.2	18%	0.177	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-41.5	177.9	-68.2	172.2	64.3	0	0	111.9	M250 I251 Q252 Y258 P564 L565 A568	M250-M254 HydrophobicContact CG-SD 4.22Å; M250-M254 WeakPolarHBondContact O-CG 3.4Å; M250-M254 PolarHBondContact O-N 3.19Å; I251-M254 WeakPolarHBondContact O-CB 2.99Å; I251-M254 PolarHBondContact O-N 2.93Å; I251-M254 VanDerWaalsContact O-N 3.09Å; Q252-M254 PolarHBondContact O-N 3.36Å; M254-Y258 WeakPolarHBondContact O-CB 3.31Å; M254-Y258 PolarHBondContact O-N 2.87Å; M254-P564 HydrophobicContact CG-CB 4.23Å; M254-L565 HydrophobicContact CB-CB 4.34Å; M254-L565 HydrophobicContact CE-CB 4.41Å; M254-L565 HydrophobicContact CE-CD1 4.12Å; M254-A568 HydrophobicContact CE-CB 3.71Å
255	V	94.8	Very high	90	Very high	40 Å²	40	55.6 Å²	55.6	24%	0.242	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-49	174.8	173.1	0	0	0	0	110.9	I251 Q252 S257 Y258 L259 F271	I251-V255 HydrophobicContact CG2-CG2 4.25Å; I251-V255 WeakPolarHBondContact O-CG2 3.08Å; I251-V255 PolarHBondContact O-N 3.45Å; Q252-V255 PolarHBondContact O-N 2.77Å; V255-S257 VanDerWaalsContact C-N 3.32Å; V255-S257 PolarHBondContact O-N 2.92Å; V255-Y258 WeakPolarHBondContact O-CB 3.45Å; V255-Y258 PolarHBondContact O-N 3Å; V255-Y258 VanDerWaalsContact O-N 3.08Å; V255-L259 HydrophobicContact CG1-CD1 4.13Å; V255-L259 HydrophobicContact CG1-CG 4.35Å; V255-L259 WeakPolarHBondContact O-CG 3.21Å; V255-L259 PolarHBondContact O-N 3.49Å; V255-F271 HydrophobicContact CB-CE1 4.12Å; V255-F271 HydrophobicContact CB-CE2 4.5Å; V255-F271 HydrophobicContact CB-CZ 3.84Å; V255-F271 HydrophobicContact CG1-CD1 4.44Å; V255-F271 HydrophobicContact CG1-CD2 4.31Å; V255-F271 HydrophobicContact CG1-CE1 3.95Å; V255-F271 HydrophobicContact CG1-CE2 3.79Å; V255-F271 HydrophobicContact CG1-CZ 3.58Å
256	A	94.4	Very high	91.2	Very high	11 Å²	11	57.3 Å²	57.3	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-44.8	176.8	0	0	0	0	0	111.7	Q252 Y258 L259 V260 F271 Q277	Q252-A256 WeakPolarHBondContact O-CB 3.41Å; Q252-A256 PolarHBondContact O-N 3.3Å; A256-Y258 VanDerWaalsContact C-N 3.35Å; A256-Y258 PolarHBondContact O-N 2.92Å; A256-L259 PolarHBondContact O-N 3.09Å; A256-V260 WeakPolarHBondContact O-CG2 3.36Å; A256-V260 PolarHBondContact O-N 2.92Å; A256-F271 HydrophobicContact CB-CD1 4.12Å; A256-F271 HydrophobicContact CB-CE1 4.13Å; A256-Q277 HydrophobicContact CB-CB 4.4Å
257	S	93.8	Very high	92	Very high	44 Å²	44	56 Å²	56	31%	0.308	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-39.9	174.6	179.8	0	0	0	0	112.6	K253 V255 H261 P564	K253-S257 VanDerWaalsContact O-CB 3.25Å; K253-S257 WeakPolarHBondContact O-CB 3.48Å; K253-S257 PolarHBondContact O-N 3.45Å; V255-S257 VanDerWaalsContact C-N 3.32Å; V255-S257 PolarHBondContact O-N 2.92Å; S257-H261 WeakPolarHBondContact O-CB 3.3Å; S257-H261 PolarHBondContact O-N 3.47Å; S257-P564 WeakPolarHBondContact OG-CD 3.33Å
258	Y	95	Very high	92.5	Very high	77 Å²	77	51 Å²	51	30%	0.302	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-44.8	175.5	179.5	-83.4	0	0	0	112.5	M254 V255 A256 H261 H262 Y264 P563 L565	M254-Y258 WeakPolarHBondContact O-CB 3.31Å; M254-Y258 PolarHBondContact O-N 2.87Å; V255-Y258 WeakPolarHBondContact O-CB 3.45Å; V255-Y258 PolarHBondContact O-N 3Å; V255-Y258 VanDerWaalsContact O-N 3.08Å; A256-Y258 VanDerWaalsContact C-N 3.35Å; A256-Y258 PolarHBondContact O-N 2.92Å; Y258-H261 PolarHBondContact O-N 3.41Å; Y258-H262 AromaticContact CD1-ND1 3.92Å; Y258-H262 AromaticContact CD2-CE1 3.71Å; Y258-H262 AromaticContact CD2-ND1 3.8Å; Y258-H262 AromaticContact CE1-ND1 3.73Å; Y258-H262 AromaticContact CE2-CE1 3.27Å; Y258-H262 WeakPolarHBondContact CE2-CE1 3.48Å; Y258-H262 AromaticContact CE2-ND1 3.61Å; Y258-H262 AromaticContact CG-ND1 3.94Å; Y258-H262 AromaticContact CZ-CE1 3.53Å; Y258-H262 AromaticContact CZ-ND1 3.56Å; Y258-H262 PolarHBondContact O-N 2.86Å; Y258-H262 PolarHBondContact O-ND1 2.98Å; Y258-Y264 HydrophobicContact CE1-CE2 4.07Å; Y258-P563 HydrophobicContact CD2-CB 4.17Å; Y258-P563 HydrophobicContact CD2-CG 3.57Å; Y258-P563 HydrophobicContact CE2-CG 4.26Å; Y258-P563 HydrophobicContact CG-CG 4.38Å; Y258-L565 HydrophobicContact CD2-CB 4.41Å; Y258-L565 HydrophobicContact CD2-CD2 4.16Å; Y258-L565 HydrophobicContact CG-CD2 4.17Å
259	L	94.9	Very high	92.7	Very high	20 Å²	20	50.8 Å²	50.8	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-42.6	178.8	-65.5	174.1	0	0	0	111.7	V255 A256 S263 Y264 T267 A268 F271	V255-L259 HydrophobicContact CG1-CD1 4.13Å; V255-L259 HydrophobicContact CG1-CG 4.35Å; V255-L259 WeakPolarHBondContact O-CG 3.21Å; V255-L259 PolarHBondContact O-N 3.49Å; A256-L259 PolarHBondContact O-N 3.09Å; L259-S263 PolarHBondContact O-N 2.98Å; L259-Y264 HydrophobicContact CD2-CD2 3.88Å; L259-Y264 PolarHBondContact O-N 3.37Å; L259-T267 HydrophobicContact CD1-CG2 4.12Å; L259-T267 HydrophobicContact CD2-CG2 3.98Å; L259-A268 HydrophobicContact CB-CB 3.86Å; L259-F271 HydrophobicContact CD1-CB 3.84Å; L259-F271 HydrophobicContact CD1-CD1 4.31Å; L259-F271 HydrophobicContact CD1-CG 3.97Å
260	V	94.2	Very high	93.1	Very high	16 Å²	16	52.2 Å²	52.2	10%	0.097	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-45.9	175.3	172.9	0	0	0	0	110.9	A256 H262 S263 A268 V279 E281 I286 R289	A256-V260 WeakPolarHBondContact O-CG2 3.36Å; A256-V260 PolarHBondContact O-N 2.92Å; V260-H262 VanDerWaalsContact C-N 3.3Å; V260-H262 PolarHBondContact O-N 3.28Å; V260-S263 PolarHBondContact O-N 2.9Å; V260-A268 HydrophobicContact CG2-CB 4.04Å; V260-V279 HydrophobicContact CG2-CG1 3.94Å; V260-E281 HydrophobicContact CG1-CB 3.94Å; V260-E281 WeakPolarHBondContact CG1-OE2 3.49Å; V260-I286 HydrophobicContact CG1-CD1 3.99Å; V260-I286 HydrophobicContact CG1-CG1 4.27Å; V260-R289 PolarHBondContact O-NH2 3.21Å
261	H	94.4	Very high	93.4	Very high	11 Å²	11	49 Å²	49	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-43	178.1	179.8	-77.7	0	0	0	111.9	S257 Y258 S263 R289 N550 L554 P560 K561 Q562 P563	S257-H261 WeakPolarHBondContact O-CB 3.3Å; S257-H261 PolarHBondContact O-N 3.47Å; Y258-H261 PolarHBondContact O-N 3.41Å; H261-S263 VanDerWaalsContact C-N 3.31Å; H261-S263 PolarHBondContact O-N 3.25Å; H261-R289 PolarHBondContact O-NH1 3Å; H261-N550 PolarHBondContact O-ND2 3.45Å; H261-L554 WeakPolarHBondContact CD2-CD1 3.18Å; H261-L554 WeakPolarHBondContact NE2-CD1 3.12Å; H261-P560 PolarHBondContact NE2-O 2.78Å; H261-K561 PolarHBondContact NE2-O 3.47Å; H261-Q562 VanDerWaalsContact NE2-CA 3.26Å; H261-Q562 WeakPolarHBondContact NE2-CA 3.35Å; H261-Q562 PolarHBondContact NE2-N 2.83Å; H261-P563 HydrophobicContact CB-CB 4.13Å; H261-P563 HydrophobicContact CB-CG 4.45Å
262	H	93.8	Very high	93.5	Very high	37 Å²	37	45.5 Å²	45.5	17%	0.171	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	10	178.1	-64.7	86.9	0	0	0	114.6	Y258 V260 Y264 Q293	Y258-H262 AromaticContact CD1-ND1 3.92Å; Y258-H262 AromaticContact CD2-CE1 3.71Å; Y258-H262 AromaticContact CD2-ND1 3.8Å; Y258-H262 AromaticContact CE1-ND1 3.73Å; Y258-H262 AromaticContact CE2-CE1 3.27Å; Y258-H262 WeakPolarHBondContact CE2-CE1 3.48Å; Y258-H262 AromaticContact CE2-ND1 3.61Å; Y258-H262 AromaticContact CG-ND1 3.94Å; Y258-H262 AromaticContact CZ-CE1 3.53Å; Y258-H262 AromaticContact CZ-ND1 3.56Å; Y258-H262 PolarHBondContact O-N 2.86Å; Y258-H262 PolarHBondContact O-ND1 2.98Å; V260-H262 VanDerWaalsContact C-N 3.3Å; V260-H262 PolarHBondContact O-N 3.28Å; H262-Y264 HydrophobicContact CB-CD2 3.72Å; H262-Y264 HydrophobicContact CB-CE1 4.26Å; H262-Y264 HydrophobicContact CB-CE2 3.35Å; H262-Y264 HydrophobicContact CB-CG 4.32Å; H262-Y264 PolarHBondContact O-N 3.1Å; H262-Q293 PolarHBondContact O-OE1 3.09Å
263	S	93.6	Very high	93.5	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	35.5	-178.8	-67.7	0	0	0	0	115.2	L259 V260 H261 C265 I286 R289 Q290	L259-S263 PolarHBondContact O-N 2.98Å; V260-S263 PolarHBondContact O-N 2.9Å; H261-S263 VanDerWaalsContact C-N 3.31Å; H261-S263 PolarHBondContact O-N 3.25Å; S263-C265 PolarHBondContact O-N 3.04Å; S263-I286 WeakPolarHBondContact CB-O 3.34Å; S263-I286 PolarHBondContact OG-O 3.07Å; S263-R289 WeakPolarHBondContact OG-CB 3.46Å; S263-R289 PolarHBondContact OG-NH1 1.91Å; S263-Q290 PolarHBondContact O-NE2 3.41Å
264	Y	92.8	Very high	93.6	Very high	110 Å²	110	51 Å²	51	43%	0.431	28%	0.282	S	S	.	.			trans	-77.3	58.9	169.9	-58	-41.9	0	0	0	110.5	Y258 L259 H262 A266 T267 A268	Y258-Y264 HydrophobicContact CE1-CE2 4.07Å; L259-Y264 HydrophobicContact CD2-CD2 3.88Å; L259-Y264 PolarHBondContact O-N 3.37Å; H262-Y264 HydrophobicContact CB-CD2 3.72Å; H262-Y264 HydrophobicContact CB-CE1 4.26Å; H262-Y264 HydrophobicContact CB-CE2 3.35Å; H262-Y264 HydrophobicContact CB-CG 4.32Å; H262-Y264 PolarHBondContact O-N 3.1Å; Y264-A266 PolarHBondContact O-N 3.3Å; Y264-T267 CarbonylContact O-C 3.6Å; Y264-T267 WeakPolarHBondContact O-CA 3.46Å; Y264-T267 WeakPolarHBondContact O-CB 3.27Å; Y264-T267 PolarHBondContact O-N 2.91Å; Y264-A268 WeakPolarHBondContact O-CB 3.47Å; Y264-A268 PolarHBondContact O-N 3.5Å
265	C	89.6	Confident	93.6	Very high	9 Å²	9	50.5 Å²	50.5	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-52.3	-54.3	-163.1	-163.8	0	0	0	0	113.8	S263 T267 A268 E269 L283 I286	S263-C265 PolarHBondContact O-N 3.04Å; C265-T267 VanDerWaalsContact C-N 3.32Å; C265-T267 PolarHBondContact O-N 3.3Å; C265-A268 WeakPolarHBondContact O-CB 3.48Å; C265-A268 PolarHBondContact O-N 3.02Å; C265-A268 VanDerWaalsContact O-N 3.16Å; C265-E269 WeakPolarHBondContact O-CG 3.38Å; C265-E269 PolarHBondContact O-N 3.34Å; C265-L283 WeakPolarHBondContact SG-CD1 3.45Å; C265-I286 HydrophobicContact CB-CG2 4.01Å
266	A	91.4	Very high	93.3	Very high	72 Å²	72	56.2 Å²	56.2	60%	0.595	31%	0.31	S	S	*	.	H	α-helix	trans	-61.9	-38.7	179	0	0	0	0	0	112.7	Y264 A270	Y264-A266 PolarHBondContact O-N 3.3Å; A266-A270 VanDerWaalsContact O-CB 3.31Å; A266-A270 WeakPolarHBondContact O-CB 3.43Å; A266-A270 PolarHBondContact O-N 3.4Å
267	T	94.1	Very high	93	Very high	81 Å²	81	57.1 Å²	57.1	50%	0.497	31%	0.312	S	S	.	.	H	α-helix	trans	-67.9	-40.5	175.6	-44.1	0	0	0	0	111.1	L259 Y264 C265 F271	L259-T267 HydrophobicContact CD1-CG2 4.12Å; L259-T267 HydrophobicContact CD2-CG2 3.98Å; Y264-T267 CarbonylContact O-C 3.6Å; Y264-T267 WeakPolarHBondContact O-CA 3.46Å; Y264-T267 WeakPolarHBondContact O-CB 3.27Å; Y264-T267 PolarHBondContact O-N 2.91Å; C265-T267 VanDerWaalsContact C-N 3.32Å; C265-T267 PolarHBondContact O-N 3.3Å; T267-F271 WeakPolarHBondContact O-CB 3.42Å; T267-F271 PolarHBondContact O-N 3.37Å
268	A	93.1	Very high	92.6	Very high	4 Å²	4	58 Å²	58	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-44.6	177	0	0	0	0	0	111.6	L259 V260 Y264 C265 A272	L259-A268 HydrophobicContact CB-CB 3.86Å; V260-A268 HydrophobicContact CG2-CB 4.04Å; Y264-A268 WeakPolarHBondContact O-CB 3.47Å; Y264-A268 PolarHBondContact O-N 3.5Å; C265-A268 WeakPolarHBondContact O-CB 3.48Å; C265-A268 PolarHBondContact O-N 3.02Å; C265-A268 VanDerWaalsContact O-N 3.16Å; A268-A272 WeakPolarHBondContact O-CB 3.43Å; A268-A272 PolarHBondContact O-N 3.08Å
269	E	91.3	Very high	91.9	Very high	97 Å²	97	57.1 Å²	57.1	45%	0.453	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-47	175.5	-72.1	174.2	172.6	0	0	111.8	C265 K273 L283	C265-E269 WeakPolarHBondContact O-CG 3.38Å; C265-E269 PolarHBondContact O-N 3.34Å; E269-K273 WeakPolarHBondContact O-CB 3.42Å; E269-K273 PolarHBondContact O-N 2.96Å; E269-L283 VanDerWaalsContact OE1-CD1 3.27Å; E269-L283 WeakPolarHBondContact OE1-CD1 3.43Å
270	A	94.7	Very high	91.2	Very high	62 Å²	62	64.1 Å²	64.1	51%	0.512	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-42.9	177.9	0	0	0	0	0	112.2	A266 S274	A266-A270 VanDerWaalsContact O-CB 3.31Å; A266-A270 WeakPolarHBondContact O-CB 3.43Å; A266-A270 PolarHBondContact O-N 3.4Å; A270-S274 PolarHBondContact O-N 2.71Å; A270-S274 VanDerWaalsContact O-N 3.13Å; A270-S274 PolarHBondContact O-OG 2.71Å
271	F	95.3	Very high	90.7	Very high	49 Å²	49	64.8 Å²	64.8	22%	0.215	36%	0.358	C	S	.	.	H	α-helix	trans	-67.1	-47.3	177.4	-174.7	-90.8	0	0	0	111.9	Q252 V255 A256 L259 T267 K273 S274 T275	Q252-F271 HydrophobicContact CB-CE1 4.35Å; Q252-F271 HydrophobicContact CB-CZ 4.33Å; Q252-F271 HydrophobicContact CG-CZ 4.25Å; Q252-F271 WeakPolarHBondContact O-CE1 3.45Å; V255-F271 HydrophobicContact CB-CE1 4.12Å; V255-F271 HydrophobicContact CB-CE2 4.5Å; V255-F271 HydrophobicContact CB-CZ 3.84Å; V255-F271 HydrophobicContact CG1-CD1 4.44Å; V255-F271 HydrophobicContact CG1-CD2 4.31Å; V255-F271 HydrophobicContact CG1-CE1 3.95Å; V255-F271 HydrophobicContact CG1-CE2 3.79Å; V255-F271 HydrophobicContact CG1-CZ 3.58Å; A256-F271 HydrophobicContact CB-CD1 4.12Å; A256-F271 HydrophobicContact CB-CE1 4.13Å; L259-F271 HydrophobicContact CD1-CB 3.84Å; L259-F271 HydrophobicContact CD1-CD1 4.31Å; L259-F271 HydrophobicContact CD1-CG 3.97Å; T267-F271 WeakPolarHBondContact O-CB 3.42Å; T267-F271 PolarHBondContact O-N 3.37Å; F271-K273 VanDerWaalsContact C-N 3.29Å; F271-K273 PolarHBondContact O-N 3.11Å; F271-S274 PolarHBondContact O-N 3.41Å; F271-S274 VanDerWaalsContact O-N 3.11Å; F271-S274 PolarHBondContact O-OG 2.65Å; F271-T275 HydrophobicContact CD1-CG2 4.42Å; F271-T275 HydrophobicContact CD2-CG2 4.4Å; F271-T275 HydrophobicContact CE1-CG2 4.03Å; F271-T275 WeakPolarHBondContact CE1-OG1 3.49Å; F271-T275 HydrophobicContact CE2-CG2 4.03Å; F271-T275 HydrophobicContact CZ-CG2 3.84Å; F271-T275 WeakPolarHBondContact O-CB 3.46Å; F271-T275 PolarHBondContact O-N 3.37Å; F271-T275 PolarHBondContact O-OG1 3.38Å
272	A	92.6	Very high	90.4	Very high	11 Å²	11	71.1 Å²	71.1	9%	0.091	39%	0.388	C	S	.	.	H	α-helix	trans	-56	-44.7	176.8	0	0	0	0	0	111.5	A268 S274 T275 D276 Q277 V279	A268-A272 WeakPolarHBondContact O-CB 3.43Å; A268-A272 PolarHBondContact O-N 3.08Å; A272-S274 PolarHBondContact O-N 2.74Å; A272-T275 PolarHBondContact O-N 2.73Å; A272-D276 WeakPolarHBondContact O-CA 3.44Å; A272-D276 PolarHBondContact O-N 3.47Å; A272-Q277 WeakPolarHBondContact CB-O 3.37Å; A272-Q277 PolarHBondContact O-N 3.07Å; A272-Q277 VanDerWaalsContact O-N 3.11Å; A272-V279 HydrophobicContact CB-CG2 3.83Å
273	K	92.9	Very high	90	Very high	191 Å²	191	72.8 Å²	72.8	83%	0.83	40%	0.398	S	S	*	.	H	α-helix	trans	-64.8	-34.3	176.5	-174.4	180	178.7	-177.9	0	113.5	E269 F271	E269-K273 WeakPolarHBondContact O-CB 3.42Å; E269-K273 PolarHBondContact O-N 2.96Å; F271-K273 VanDerWaalsContact C-N 3.29Å; F271-K273 PolarHBondContact O-N 3.11Å
274	S	95.3	Very high	89.8	Confident	93 Å²	93	74.9 Å²	74.9	65%	0.65	42%	0.415	S	S	*	.	H	α-helix	trans	-84.1	-19.8	-179.5	67.1	0	0	0	0	114.1	A270 F271 A272	A270-S274 PolarHBondContact O-N 2.71Å; A270-S274 VanDerWaalsContact O-N 3.13Å; A270-S274 PolarHBondContact O-OG 2.71Å; F271-S274 PolarHBondContact O-N 3.41Å; F271-S274 VanDerWaalsContact O-N 3.11Å; F271-S274 PolarHBondContact O-OG 2.65Å; A272-S274 PolarHBondContact O-N 2.74Å
275	T	93.3	Very high	89.8	Confident	25 Å²	25	70.5 Å²	70.5	15%	0.153	40%	0.401	C	S	.	.	H	α-helix	trans	-116.6	7.5	-175.2	57.4	0	0	0	0	114.4	Q252 F271 A272 Q277	Q252-T275 HydrophobicContact CG-CG2 4.05Å; F271-T275 HydrophobicContact CD1-CG2 4.42Å; F271-T275 HydrophobicContact CD2-CG2 4.4Å; F271-T275 HydrophobicContact CE1-CG2 4.03Å; F271-T275 WeakPolarHBondContact CE1-OG1 3.49Å; F271-T275 HydrophobicContact CE2-CG2 4.03Å; F271-T275 HydrophobicContact CZ-CG2 3.84Å; F271-T275 WeakPolarHBondContact O-CB 3.46Å; F271-T275 PolarHBondContact O-N 3.37Å; F271-T275 PolarHBondContact O-OG1 3.38Å; A272-T275 PolarHBondContact O-N 2.73Å; T275-Q277 VanDerWaalsContact C-N 3.25Å; T275-Q277 PolarHBondContact O-N 3.44Å; T275-Q277 PolarHBondContact O-NE2 3.34Å; T275-Q277 WeakPolarHBondContact OG1-CG 3.47Å
276	D	89.9	Confident	89.9	Confident	159 Å²	159	70.2 Å²	70.2	85%	0.85	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	43.2	-176.1	-157.3	31.7	0	0	0	113	A272	A272-D276 WeakPolarHBondContact O-CA 3.44Å; A272-D276 PolarHBondContact O-N 3.47Å
277	Q	87.8	Confident	90	Very high	31 Å²	31	72 Å²	72	15%	0.145	39%	0.393	C	S	.	.			trans	-101.8	142.4	179	-61.4	-53.9	-46.7	0	0	111.6	Q252 K253 A256 A272 T275	Q252-Q277 HydrophobicContact CB-CG 4.11Å; K253-Q277 VanDerWaalsContact CE-OE1 3.3Å; A256-Q277 HydrophobicContact CB-CB 4.4Å; A272-Q277 WeakPolarHBondContact CB-O 3.37Å; A272-Q277 PolarHBondContact O-N 3.07Å; A272-Q277 VanDerWaalsContact O-N 3.11Å; T275-Q277 VanDerWaalsContact C-N 3.25Å; T275-Q277 PolarHBondContact O-N 3.44Å; T275-Q277 PolarHBondContact O-NE2 3.34Å; T275-Q277 WeakPolarHBondContact OG1-CG 3.47Å
278	A	84.6	Confident	90	Very high	61 Å²	61	70.8 Å²	70.8	50%	0.504	38%	0.383	S	S	.	.			trans	-83.5	134.4	175.7	0	0	0	0	0	111.9	H280	A278-H280 PolarHBondContact O-CD2 3.3Å
279	V	80.6	Confident	90.1	Very high	60 Å²	60	70.7 Å²	70.7	36%	0.364	38%	0.382	S	S	.	.			trans	-86.4	110.1	170.6	176.6	0	0	0	0	108.7	V260 A272 E281 I286	V260-V279 HydrophobicContact CG2-CG1 3.94Å; A272-V279 HydrophobicContact CB-CG2 3.83Å; V279-E281 PolarHBondContact O-N 2.96Å; V279-I286 HydrophobicContact CG1-CD1 3.99Å
280	H	79.2	Confident	90.4	Very high	167 Å²	167	70 Å²	70	77%	0.773	38%	0.379	S	S	*	.			trans	-96.3	44.4	-176.2	-65.7	-71	0	0	0	113.4	A278	A278-H280 PolarHBondContact O-CD2 3.3Å
281	E	85.5	Confident	90.5	Very high	30 Å²	30	72.3 Å²	72.3	14%	0.14	38%	0.377	C	S	.	.	S	Bend	trans	-149.4	147.8	168.7	-169.8	-178.1	158.2	0	0	109.2	V260 V279 S285 I286 R289 L559	V260-E281 HydrophobicContact CG1-CB 3.94Å; V260-E281 WeakPolarHBondContact CG1-OE2 3.49Å; V279-E281 PolarHBondContact O-N 2.96Å; E281-S285 WeakPolarHBondContact OE1-CB 3.37Å; E281-S285 PolarHBondContact OE1-OG 3.48Å; E281-I286 HydrophobicContact CB-CD1 4.19Å; E281-I286 HydrophobicContact CB-CG1 4.09Å; E281-I286 HydrophobicContact CG-CG1 3.99Å; E281-R289 VanDerWaalsContact CD-NH2 3.27Å; E281-R289 IonicContact OE1-CZ 3.57Å; E281-R289 IonicContact OE1-NE 2.71Å; E281-R289 PolarHBondContact OE1-NE 3.2Å; E281-R289 IonicContact OE1-NH2 2.76Å; E281-R289 PolarHBondContact OE1-NH2 3.28Å; E281-R289 VanDerWaalsContact OE1-NH2 3.09Å; E281-R289 IonicContact OE2-CZ 3.6Å; E281-R289 IonicContact OE2-NE 3.71Å; E281-R289 IonicContact OE2-NH2 3.56Å; E281-R289 PolarHBondContact OE2-NH2 3.21Å; E281-L559 HydrophobicContact CG-CD1 4.08Å
282	E	86.4	Confident	90.6	Very high	143 Å²	143	70.1 Å²	70.1	67%	0.668	37%	0.368	S	S	*	.			trans	-68	133.7	176.7	-169	-174.4	168.4	0	0	111.3	A284 S285 I286	E282-A284 HydrophobicContact CG-CB 4.26Å; E282-A284 PolarHBondContact O-N 3.27Å; E282-A284 VanDerWaalsContact O-N 3.09Å; E282-S285 WeakPolarHBondContact O-CB 3.15Å; E282-S285 PolarHBondContact O-N 3.18Å; E282-I286 PolarHBondContact O-N 2.91Å
283	L	85.9	Confident	90.8	Very high	72 Å²	72	70.6 Å²	70.6	38%	0.377	37%	0.368	S	S	.	.	H	α-helix	trans	-53	-34.5	-179.6	-173.5	64	0	0	0	113.3	C265 E269 I286 K287	C265-L283 WeakPolarHBondContact SG-CD1 3.45Å; E269-L283 VanDerWaalsContact OE1-CD1 3.27Å; E269-L283 WeakPolarHBondContact OE1-CD1 3.43Å; L283-I286 PolarHBondContact O-N 3.22Å; L283-K287 HydrophobicContact CG-CD 4.22Å; L283-K287 WeakPolarHBondContact O-CB 3.11Å; L283-K287 WeakPolarHBondContact O-CG 3.47Å; L283-K287 PolarHBondContact O-N 3.35Å
284	A	90.2	Very high	91	Very high	45 Å²	45	69 Å²	69	37%	0.372	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175.6	0	0	0	0	0	112.4	E282 K287 N288	E282-A284 HydrophobicContact CG-CB 4.26Å; E282-A284 PolarHBondContact O-N 3.27Å; E282-A284 VanDerWaalsContact O-N 3.09Å; A284-K287 PolarHBondContact O-N 3.03Å; A284-N288 WeakPolarHBondContact O-CB 3.49Å; A284-N288 PolarHBondContact O-N 3.04Å; A284-N288 PolarHBondContact O-ND2 3.03Å
285	S	91.7	Very high	91.1	Very high	18 Å²	18	65.3 Å²	65.3	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-46.9	175.9	179.7	0	0	0	0	111.2	E281 E282 K287 N288 R289	E281-S285 WeakPolarHBondContact OE1-CB 3.37Å; E281-S285 PolarHBondContact OE1-OG 3.48Å; E282-S285 WeakPolarHBondContact O-CB 3.15Å; E282-S285 PolarHBondContact O-N 3.18Å; S285-K287 VanDerWaalsContact C-N 3.33Å; S285-K287 PolarHBondContact O-N 3.05Å; S285-N288 PolarHBondContact O-N 2.81Å; S285-R289 WeakPolarHBondContact O-CG 3.34Å; S285-R289 PolarHBondContact O-N 3.19Å
286	I	91.9	Very high	91.4	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-46.7	178.4	-56	174	0	0	0	110.6	V260 S263 C265 V279 E281 E282 L283 R289 Q290	V260-I286 HydrophobicContact CG1-CD1 3.99Å; V260-I286 HydrophobicContact CG1-CG1 4.27Å; S263-I286 WeakPolarHBondContact CB-O 3.34Å; S263-I286 PolarHBondContact OG-O 3.07Å; C265-I286 HydrophobicContact CB-CG2 4.01Å; V279-I286 HydrophobicContact CG1-CD1 3.99Å; E281-I286 HydrophobicContact CB-CD1 4.19Å; E281-I286 HydrophobicContact CB-CG1 4.09Å; E281-I286 HydrophobicContact CG-CG1 3.99Å; E282-I286 PolarHBondContact O-N 2.91Å; L283-I286 PolarHBondContact O-N 3.22Å; I286-R289 PolarHBondContact O-N 3.38Å; I286-Q290 WeakPolarHBondContact O-CB 3.16Å; I286-Q290 PolarHBondContact O-N 2.85Å
287	K	92.8	Very high	91.7	Very high	110 Å²	110	60.3 Å²	60.3	48%	0.478	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-38.6	178.2	-74.2	178	178.2	179.3	0	112.9	L283 A284 S285 Q290 K291	L283-K287 HydrophobicContact CG-CD 4.22Å; L283-K287 WeakPolarHBondContact O-CB 3.11Å; L283-K287 WeakPolarHBondContact O-CG 3.47Å; L283-K287 PolarHBondContact O-N 3.35Å; A284-K287 PolarHBondContact O-N 3.03Å; S285-K287 VanDerWaalsContact C-N 3.33Å; S285-K287 PolarHBondContact O-N 3.05Å; K287-Q290 WeakPolarHBondContact O-CB 3.45Å; K287-Q290 PolarHBondContact O-N 2.92Å; K287-K291 PolarHBondContact O-N 2.98Å
288	N	95.3	Very high	92.1	Very high	55 Å²	55	61.4 Å²	61.4	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-46.4	175.2	-78.1	-16.7	0	0	0	111.7	A284 S285 K291 I292 L311 Y312	A284-N288 WeakPolarHBondContact O-CB 3.49Å; A284-N288 PolarHBondContact O-N 3.04Å; A284-N288 PolarHBondContact O-ND2 3.03Å; S285-N288 PolarHBondContact O-N 2.81Å; N288-K291 PolarHBondContact O-N 3.36Å; N288-I292 PolarHBondContact O-N 2.89Å; N288-L311 HydrophobicContact CB-CD1 3.92Å; N288-Y312 WeakPolarHBondContact CB-OH 3.4Å
289	R	96	Very high	92.7	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-43.6	173.7	-65.8	-174.3	-56.4	94.1	-1	111.3	V260 H261 S263 E281 S285 I286 K291 I292 Q293 N550 I553	V260-R289 PolarHBondContact O-NH2 3.21Å; H261-R289 PolarHBondContact O-NH1 3Å; S263-R289 WeakPolarHBondContact OG-CB 3.46Å; S263-R289 PolarHBondContact OG-NH1 1.91Å; E281-R289 VanDerWaalsContact CD-NH2 3.27Å; E281-R289 IonicContact OE1-CZ 3.57Å; E281-R289 IonicContact OE1-NE 2.71Å; E281-R289 PolarHBondContact OE1-NE 3.2Å; E281-R289 IonicContact OE1-NH2 2.76Å; E281-R289 PolarHBondContact OE1-NH2 3.28Å; E281-R289 VanDerWaalsContact OE1-NH2 3.09Å; E281-R289 IonicContact OE2-CZ 3.6Å; E281-R289 IonicContact OE2-NE 3.71Å; E281-R289 IonicContact OE2-NH2 3.56Å; E281-R289 PolarHBondContact OE2-NH2 3.21Å; S285-R289 WeakPolarHBondContact O-CG 3.34Å; S285-R289 PolarHBondContact O-N 3.19Å; I286-R289 PolarHBondContact O-N 3.38Å; R289-K291 VanDerWaalsContact C-N 3.34Å; R289-K291 PolarHBondContact O-N 3.37Å; R289-I292 PolarHBondContact O-N 3.4Å; R289-Q293 VanDerWaalsContact O-CG 3.31Å; R289-Q293 WeakPolarHBondContact O-CG 3.27Å; R289-Q293 PolarHBondContact O-N 3.26Å; R289-N550 PolarHBondContact NH1-OD1 3.3Å; R289-I553 HydrophobicContact CG-CG2 3.81Å
290	Q	95.6	Very high	93.5	Very high	83 Å²	83	59.1 Å²	59.1	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-57.2	-43.9	176.6	-157.6	-177.3	37.8	0	0	112.6	S263 I286 K287 Q293 K294	S263-Q290 PolarHBondContact O-NE2 3.41Å; I286-Q290 WeakPolarHBondContact O-CB 3.16Å; I286-Q290 PolarHBondContact O-N 2.85Å; K287-Q290 WeakPolarHBondContact O-CB 3.45Å; K287-Q290 PolarHBondContact O-N 2.92Å; Q290-Q293 PolarHBondContact O-N 2.97Å; Q290-K294 WeakPolarHBondContact O-CB 2.98Å; Q290-K294 PolarHBondContact O-N 3.06Å
291	K	96.9	Very high	94.4	Very high	110 Å²	110	51.2 Å²	51.2	48%	0.478	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-46.3	177.5	-176.8	-176.3	175.4	-172.9	0	111.4	K287 N288 R289 L295 T307	K287-K291 PolarHBondContact O-N 2.98Å; N288-K291 PolarHBondContact O-N 3.36Å; R289-K291 VanDerWaalsContact C-N 3.34Å; R289-K291 PolarHBondContact O-N 3.37Å; K291-L295 WeakPolarHBondContact O-CG 3.35Å; K291-L295 PolarHBondContact O-N 2.97Å; K291-T307 HydrophobicContact CD-CG2 4Å; K291-T307 HydrophobicContact CG-CG2 4.35Å
292	I	97.9	Very high	94.9	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-48	178.5	-67.2	166	0	0	0	110.8	N288 R289 K294 L295 V296 T307 T308 L311 Y312 L549 I553	N288-I292 PolarHBondContact O-N 2.89Å; R289-I292 PolarHBondContact O-N 3.4Å; I292-K294 VanDerWaalsContact C-N 3.33Å; I292-K294 PolarHBondContact O-N 2.88Å; I292-L295 WeakPolarHBondContact O-CB 3.41Å; I292-L295 PolarHBondContact O-N 3.41Å; I292-L295 VanDerWaalsContact O-N 3.1Å; I292-V296 PolarHBondContact O-N 3.08Å; I292-T307 HydrophobicContact CG1-CG2 3.77Å; I292-T308 WeakPolarHBondContact CG2-OG1 3.22Å; I292-L311 HydrophobicContact CD1-CD1 4.25Å; I292-L311 HydrophobicContact CG1-CD1 4.47Å; I292-Y312 HydrophobicContact CD1-CD2 3.89Å; I292-Y312 HydrophobicContact CD1-CE2 3.6Å; I292-L549 HydrophobicContact CG2-CD2 3.53Å; I292-L549 HydrophobicContact CG2-CG 4.31Å; I292-I553 HydrophobicContact CD1-CD1 3.87Å; I292-I553 HydrophobicContact CG2-CD1 4.48Å
293	Q	97.5	Very high	95.4	Very high	22 Å²	22	45.4 Å²	45.4	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-41.8	179.5	-69.3	174.6	-43.2	0	0	111.8	H262 R289 Q290 L295 V296 L297 N550	H262-Q293 PolarHBondContact O-OE1 3.09Å; R289-Q293 VanDerWaalsContact O-CG 3.31Å; R289-Q293 WeakPolarHBondContact O-CG 3.27Å; R289-Q293 PolarHBondContact O-N 3.26Å; Q290-Q293 PolarHBondContact O-N 2.97Å; Q293-L295 VanDerWaalsContact C-N 3.3Å; Q293-L295 PolarHBondContact O-N 3.32Å; Q293-V296 PolarHBondContact O-N 3.4Å; Q293-L297 WeakPolarHBondContact O-CB 3.32Å; Q293-L297 WeakPolarHBondContact O-CG 3.46Å; Q293-L297 PolarHBondContact O-N 2.82Å; Q293-N550 VanDerWaalsContact NE2-CG 3.29Å; Q293-N550 PolarHBondContact NE2-OD1 2.88Å
294	K	96.9	Very high	96	Very high	156 Å²	156	42 Å²	42	68%	0.678	21%	0.208	S	C	*	.	H	α-helix	trans	-60.6	-37.5	175.4	-171.7	173.9	-178	176.7	0	112.3	Q290 I292 S298	Q290-K294 WeakPolarHBondContact O-CB 2.98Å; Q290-K294 PolarHBondContact O-N 3.06Å; I292-K294 VanDerWaalsContact C-N 3.33Å; I292-K294 PolarHBondContact O-N 2.88Å; K294-S298 WeakPolarHBondContact O-CB 3.45Å; K294-S298 PolarHBondContact O-N 2.7Å; K294-S298 VanDerWaalsContact O-N 3.11Å; K294-S298 PolarHBondContact O-OG 3.39Å
295	L	98	Very high	96.4	Very high	17 Å²	17	40 Å²	40	9%	0.089	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-46	174.9	-68.8	167.7	0	0	0	111.6	K291 I292 Q293 S298 G299 R300 E303 A304 T307	K291-L295 WeakPolarHBondContact O-CG 3.35Å; K291-L295 PolarHBondContact O-N 2.97Å; I292-L295 WeakPolarHBondContact O-CB 3.41Å; I292-L295 PolarHBondContact O-N 3.41Å; I292-L295 VanDerWaalsContact O-N 3.1Å; Q293-L295 VanDerWaalsContact C-N 3.3Å; Q293-L295 PolarHBondContact O-N 3.32Å; L295-S298 PolarHBondContact O-N 3.18Å; L295-S298 PolarHBondContact O-OG 3.04Å; L295-G299 PolarHBondContact O-N 3.29Å; L295-R300 HydrophobicContact CB-CB 4.5Å; L295-R300 HydrophobicContact CD2-CB 4.09Å; L295-R300 PolarHBondContact O-N 3.1Å; L295-E303 HydrophobicContact CD1-CB 4.31Å; L295-E303 HydrophobicContact CD2-CB 4.18Å; L295-A304 HydrophobicContact CB-CB 3.75Å; L295-T307 HydrophobicContact CD1-CG2 4.42Å; L295-T307 WeakPolarHBondContact CD1-OG1 3.21Å
296	V	98.2	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-50.5	176.8	177	0	0	0	0	111.6	I292 Q293 S298 G299 M301 A304 R542 C546 L549	I292-V296 PolarHBondContact O-N 3.08Å; Q293-V296 PolarHBondContact O-N 3.4Å; V296-S298 VanDerWaalsContact C-N 3.29Å; V296-S298 PolarHBondContact O-N 2.99Å; V296-G299 PolarHBondContact O-N 2.89Å; V296-M301 HydrophobicContact CB-SD 4.27Å; V296-M301 HydrophobicContact CG1-CE 4.33Å; V296-M301 HydrophobicContact CG1-SD 3.84Å; V296-M301 HydrophobicContact CG2-CE 4.34Å; V296-M301 HydrophobicContact CG2-SD 4.34Å; V296-A304 HydrophobicContact CG2-CB 3.63Å; V296-R542 WeakPolarHBondContact O-CD 3.16Å; V296-C546 HydrophobicContact CB-CB 4.27Å; V296-C546 HydrophobicContact CG1-CB 3.66Å; V296-L549 HydrophobicContact CG2-CD2 4.09Å
297	L	96.7	Very high	97	Very high	78 Å²	78	45.5 Å²	45.5	41%	0.408	22%	0.216	S	C	.	.	H	α-helix	trans	-68.1	-27.1	-176.9	-64.6	167.7	0	0	0	112.8	Q293 G299 R542 E543 C546	Q293-L297 WeakPolarHBondContact O-CB 3.32Å; Q293-L297 WeakPolarHBondContact O-CG 3.46Å; Q293-L297 PolarHBondContact O-N 2.82Å; L297-G299 VanDerWaalsContact C-N 3.29Å; L297-G299 PolarHBondContact O-N 2.75Å; L297-R542 HydrophobicContact CD2-CB 4.3Å; L297-R542 WeakPolarHBondContact O-CD 3.03Å; L297-R542 PolarHBondContact O-NH1 3.11Å; L297-E543 HydrophobicContact CD2-CG 3.95Å; L297-C546 HydrophobicContact CD2-CB 4.09Å; L297-C546 HydrophobicContact CG-CB 4.39Å
298	S	96.4	Very high	97.2	Very high	54 Å²	54	40.2 Å²	40.2	38%	0.378	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.2	170.9	60.5	0	0	0	0	114.6	K294 L295 V296	K294-S298 WeakPolarHBondContact O-CB 3.45Å; K294-S298 PolarHBondContact O-N 2.7Å; K294-S298 VanDerWaalsContact O-N 3.11Å; K294-S298 PolarHBondContact O-OG 3.39Å; L295-S298 PolarHBondContact O-N 3.18Å; L295-S298 PolarHBondContact O-OG 3.04Å; V296-S298 VanDerWaalsContact C-N 3.29Å; V296-S298 PolarHBondContact O-N 2.99Å
299	G	96.8	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	8.3	-179	0	0	0	0	0	114.7	L295 V296 L297 M301 E333	L295-G299 PolarHBondContact O-N 3.29Å; V296-G299 PolarHBondContact O-N 2.89Å; L297-G299 VanDerWaalsContact C-N 3.29Å; L297-G299 PolarHBondContact O-N 2.75Å; G299-M301 PolarHBondContact O-N 3.28Å; G299-M301 VanDerWaalsContact O-N 3.08Å; G299-E333 WeakPolarHBondContact O-CB 3.4Å
300	R	97.1	Very high	97.4	Very high	74 Å²	74	49.1 Å²	49.1	28%	0.279	23%	0.233	S	C	.	.			trans	-87.1	63	178.5	-65.1	168.2	68.8	179.7	2.2	110	L295 E303 A304	L295-R300 HydrophobicContact CB-CB 4.5Å; L295-R300 HydrophobicContact CD2-CB 4.09Å; L295-R300 PolarHBondContact O-N 3.1Å; R300-E303 IonicContact CZ-OE1 3.24Å; R300-E303 VanDerWaalsContact CZ-OE1 3.24Å; R300-E303 IonicContact CZ-OE2 3.55Å; R300-E303 IonicContact NE-OE1 2.73Å; R300-E303 PolarHBondContact NE-OE1 3.07Å; R300-E303 IonicContact NE-OE2 3.76Å; R300-E303 IonicContact NH2-OE1 2.95Å; R300-E303 PolarHBondContact NH2-OE1 3.47Å; R300-E303 IonicContact NH2-OE2 2.66Å; R300-E303 PolarHBondContact NH2-OE2 3.24Å; R300-E303 PolarHBondContact O-N 3.09Å; R300-A304 WeakPolarHBondContact O-CB 3.47Å; R300-A304 PolarHBondContact O-N 3.25Å
301	M	97.8	Very high	97.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-37.3	-171.8	-65.9	-58.5	-50.1	0	0	113.1	V296 G299 A304 I305 L326 R329 Q330 E333 D339 V545	V296-M301 HydrophobicContact CB-SD 4.27Å; V296-M301 HydrophobicContact CG1-CE 4.33Å; V296-M301 HydrophobicContact CG1-SD 3.84Å; V296-M301 HydrophobicContact CG2-CE 4.34Å; V296-M301 HydrophobicContact CG2-SD 4.34Å; G299-M301 PolarHBondContact O-N 3.28Å; G299-M301 VanDerWaalsContact O-N 3.08Å; M301-A304 PolarHBondContact O-N 2.86Å; M301-I305 WeakPolarHBondContact O-CD1 3.44Å; M301-I305 VanDerWaalsContact O-CG1 3.24Å; M301-I305 WeakPolarHBondContact O-CG1 3.3Å; M301-I305 PolarHBondContact O-N 3.48Å; M301-L326 HydrophobicContact CE-CB 4.36Å; M301-L326 HydrophobicContact CE-CD2 3.58Å; M301-R329 HydrophobicContact CE-CB 4.04Å; M301-R329 HydrophobicContact CE-CG 4.04Å; M301-R329 HydrophobicContact CG-CB 4.44Å; M301-R329 HydrophobicContact CG-CG 3.97Å; M301-R329 HydrophobicContact SD-CB 4.37Å; M301-R329 HydrophobicContact SD-CG 3.74Å; M301-Q330 HydrophobicContact CB-CB 3.61Å; M301-Q330 HydrophobicContact CB-CG 3.91Å; M301-Q330 HydrophobicContact CG-CB 4.42Å; M301-E333 HydrophobicContact CG-CB 4.39Å; M301-E333 HydrophobicContact CG-CG 3.75Å; M301-D339 PolarHBondContact N-OD2 3.39Å; M301-V545 HydrophobicContact CE-CG1 4.12Å
302	G	96.9	Very high	97.4	Very high	4 Å²	4	43 Å²	43	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-53	175.3	0	0	0	0	0	111.9	A304 I305 E306 D339	G302-A304 VanDerWaalsContact C-N 3.32Å; G302-A304 PolarHBondContact O-N 2.9Å; G302-I305 WeakPolarHBondContact O-CB 3.32Å; G302-I305 PolarHBondContact O-N 3.28Å; G302-I305 VanDerWaalsContact O-N 3.16Å; G302-E306 WeakPolarHBondContact O-CG 3.49Å; G302-E306 PolarHBondContact O-N 3.39Å; G302-D339 PolarHBondContact N-OD2 3.16Å
303	E	97.7	Very high	97.3	Very high	48 Å²	48	47.4 Å²	47.4	22%	0.224	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-31.6	178.6	-63.8	179.3	-99.8	0	0	112.7	L295 R300 T307 S340	L295-E303 HydrophobicContact CD1-CB 4.31Å; L295-E303 HydrophobicContact CD2-CB 4.18Å; R300-E303 IonicContact CZ-OE1 3.24Å; R300-E303 VanDerWaalsContact CZ-OE1 3.24Å; R300-E303 IonicContact CZ-OE2 3.55Å; R300-E303 IonicContact NE-OE1 2.73Å; R300-E303 PolarHBondContact NE-OE1 3.07Å; R300-E303 IonicContact NE-OE2 3.76Å; R300-E303 IonicContact NH2-OE1 2.95Å; R300-E303 PolarHBondContact NH2-OE1 3.47Å; R300-E303 IonicContact NH2-OE2 2.66Å; R300-E303 PolarHBondContact NH2-OE2 3.24Å; R300-E303 PolarHBondContact O-N 3.09Å; E303-T307 WeakPolarHBondContact O-CB 3.17Å; E303-T307 PolarHBondContact O-N 2.67Å; E303-T307 PolarHBondContact O-OG1 3.24Å; E303-S340 WeakPolarHBondContact OE1-CB 3.43Å
304	A	98.4	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-42.2	172.5	0	0	0	0	0	111.6	L295 V296 R300 M301 G302 T308	L295-A304 HydrophobicContact CB-CB 3.75Å; V296-A304 HydrophobicContact CG2-CB 3.63Å; R300-A304 WeakPolarHBondContact O-CB 3.47Å; R300-A304 PolarHBondContact O-N 3.25Å; M301-A304 PolarHBondContact O-N 2.86Å; G302-A304 VanDerWaalsContact C-N 3.32Å; G302-A304 PolarHBondContact O-N 2.9Å; A304-T308 VanDerWaalsContact O-CB 3.27Å; A304-T308 WeakPolarHBondContact O-CB 3.49Å; A304-T308 PolarHBondContact O-N 3.37Å; A304-T308 PolarHBondContact O-OG1 3.24Å
305	I	98.2	Very high	97	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-48.4	176.9	-68.9	163.6	0	0	0	110.3	M301 G302 T308 Q309 L316 L323 L326 K327	M301-I305 WeakPolarHBondContact O-CD1 3.44Å; M301-I305 VanDerWaalsContact O-CG1 3.24Å; M301-I305 WeakPolarHBondContact O-CG1 3.3Å; M301-I305 PolarHBondContact O-N 3.48Å; G302-I305 WeakPolarHBondContact O-CB 3.32Å; G302-I305 PolarHBondContact O-N 3.28Å; G302-I305 VanDerWaalsContact O-N 3.16Å; I305-T308 WeakPolarHBondContact O-CB 3.36Å; I305-T308 PolarHBondContact O-N 2.87Å; I305-Q309 WeakPolarHBondContact O-CG 3.47Å; I305-Q309 PolarHBondContact O-N 3.48Å; I305-L316 HydrophobicContact CG2-CD1 3.88Å; I305-L323 HydrophobicContact CG2-CD1 4.21Å; I305-L326 HydrophobicContact CD1-CB 3.9Å; I305-L326 HydrophobicContact CG1-CB 3.98Å; I305-L326 HydrophobicContact CG1-CD1 4.29Å; I305-K327 HydrophobicContact CD1-CD 3.88Å; I305-K327 HydrophobicContact CD1-CG 4.25Å
306	E	97.7	Very high	97	Very high	124 Å²	124	40.8 Å²	40.8	58%	0.579	21%	0.211	S	C	*	.	H	α-helix	trans	-60.7	-48.7	177.7	-70.7	171.4	-173.3	0	0	111.9	G302 T308 Q309 Q310	G302-E306 WeakPolarHBondContact O-CG 3.49Å; G302-E306 PolarHBondContact O-N 3.39Å; E306-T308 VanDerWaalsContact C-N 3.25Å; E306-T308 PolarHBondContact O-N 3.4Å; E306-Q309 PolarHBondContact O-N 2.94Å; E306-Q309 VanDerWaalsContact O-N 3.13Å; E306-Q310 WeakPolarHBondContact O-CB 3.44Å; E306-Q310 PolarHBondContact O-N 3.13Å
307	T	98.2	Very high	96.8	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.08	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-37.8	177	-58.5	0	0	0	0	111.1	K291 I292 L295 E303 Q310 L311	K291-T307 HydrophobicContact CD-CG2 4Å; K291-T307 HydrophobicContact CG-CG2 4.35Å; I292-T307 HydrophobicContact CG1-CG2 3.77Å; L295-T307 HydrophobicContact CD1-CG2 4.42Å; L295-T307 WeakPolarHBondContact CD1-OG1 3.21Å; E303-T307 WeakPolarHBondContact O-CB 3.17Å; E303-T307 PolarHBondContact O-N 2.67Å; E303-T307 PolarHBondContact O-OG1 3.24Å; T307-Q310 PolarHBondContact O-N 3.44Å; T307-L311 HydrophobicContact CG2-CD1 3.62Å; T307-L311 HydrophobicContact CG2-CG 4.29Å; T307-L311 WeakPolarHBondContact O-CB 3.41Å; T307-L311 WeakPolarHBondContact O-CG 3.44Å; T307-L311 PolarHBondContact O-N 2.88Å
308	T	98.1	Very high	96.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-44.6	174.9	-61.1	0	0	0	0	111.6	I292 A304 I305 E306 Q310 Y312 L315 L316 L549	I292-T308 WeakPolarHBondContact CG2-OG1 3.22Å; A304-T308 VanDerWaalsContact O-CB 3.27Å; A304-T308 WeakPolarHBondContact O-CB 3.49Å; A304-T308 PolarHBondContact O-N 3.37Å; A304-T308 PolarHBondContact O-OG1 3.24Å; I305-T308 WeakPolarHBondContact O-CB 3.36Å; I305-T308 PolarHBondContact O-N 2.87Å; E306-T308 VanDerWaalsContact C-N 3.25Å; E306-T308 PolarHBondContact O-N 3.4Å; T308-Q310 VanDerWaalsContact C-N 3.33Å; T308-Q310 PolarHBondContact O-N 3.04Å; T308-Y312 CarbonylContact O-C 3.59Å; T308-Y312 WeakPolarHBondContact O-CA 3.24Å; T308-Y312 WeakPolarHBondContact O-CB 3.33Å; T308-Y312 PolarHBondContact O-N 2.89Å; T308-L315 HydrophobicContact CG2-CD2 3.49Å; T308-L315 VanDerWaalsContact CG2-CD2 3.49Å; T308-L316 HydrophobicContact CG2-CD1 4.04Å; T308-L316 HydrophobicContact CG2-CD2 4.14Å; T308-L316 HydrophobicContact CG2-CG 3.99Å; T308-L549 HydrophobicContact CG2-CD1 3.94Å
309	Q	97.3	Very high	96.6	Very high	99 Å²	99	54 Å²	54	46%	0.463	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-34.9	178.4	-70.8	172.5	-44.7	0	0	112.4	I305 E306 L316	I305-Q309 WeakPolarHBondContact O-CG 3.47Å; I305-Q309 PolarHBondContact O-N 3.48Å; E306-Q309 PolarHBondContact O-N 2.94Å; E306-Q309 VanDerWaalsContact O-N 3.13Å; Q309-L316 HydrophobicContact CG-CD1 3.94Å
310	Q	97.5	Very high	96.5	Very high	144 Å²	144	55.3 Å²	55.3	67%	0.673	27%	0.267	S	S	*	.	H	α-helix	trans	-69.6	-45.9	176.6	-173.2	-176	14.6	0	0	112.4	E306 T307 T308	E306-Q310 WeakPolarHBondContact O-CB 3.44Å; E306-Q310 PolarHBondContact O-N 3.13Å; T307-Q310 PolarHBondContact O-N 3.44Å; T308-Q310 VanDerWaalsContact C-N 3.33Å; T308-Q310 PolarHBondContact O-N 3.04Å
311	L	96.7	Very high	96.4	Very high	50 Å²	50	53.6 Å²	53.6	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-84.5	-28.5	-175.3	-63.7	175.2	0	0	0	112.9	N288 I292 T307	N288-L311 HydrophobicContact CB-CD1 3.92Å; I292-L311 HydrophobicContact CD1-CD1 4.25Å; I292-L311 HydrophobicContact CG1-CD1 4.47Å; T307-L311 HydrophobicContact CG2-CD1 3.62Å; T307-L311 HydrophobicContact CG2-CG 4.29Å; T307-L311 WeakPolarHBondContact O-CB 3.41Å; T307-L311 WeakPolarHBondContact O-CG 3.44Å; T307-L311 PolarHBondContact O-N 2.88Å
312	Y	96	Very high	96.3	Very high	16 Å²	16	53.9 Å²	53.9	6%	0.063	27%	0.265	C	S	.	.	S	Bend	trans	-131.4	72	-178.4	-54.7	-68.3	0	0	0	111.4	N288 I292 T308 L315 I553 H557	N288-Y312 WeakPolarHBondContact CB-OH 3.4Å; I292-Y312 HydrophobicContact CD1-CD2 3.89Å; I292-Y312 HydrophobicContact CD1-CE2 3.6Å; T308-Y312 CarbonylContact O-C 3.59Å; T308-Y312 WeakPolarHBondContact O-CA 3.24Å; T308-Y312 WeakPolarHBondContact O-CB 3.33Å; T308-Y312 PolarHBondContact O-N 2.89Å; Y312-L315 VanDerWaalsContact O-CB 3.3Å; Y312-L315 WeakPolarHBondContact O-CB 3.45Å; Y312-L315 PolarHBondContact O-N 2.95Å; Y312-I553 HydrophobicContact CD1-CG2 4.09Å; Y312-I553 HydrophobicContact CD2-CD1 4.05Å; Y312-I553 HydrophobicContact CD2-CG1 3.97Å; Y312-I553 HydrophobicContact CD2-CG2 3.9Å; Y312-I553 HydrophobicContact CE1-CG2 3.7Å; Y312-I553 HydrophobicContact CE2-CB 4.49Å; Y312-I553 HydrophobicContact CE2-CD1 3.97Å; Y312-I553 HydrophobicContact CE2-CG1 4.15Å; Y312-I553 HydrophobicContact CE2-CG2 3.49Å; Y312-I553 VanDerWaalsContact CE2-CG2 3.49Å; Y312-I553 HydrophobicContact CG-CG2 4.17Å; Y312-H557 AromaticContact CD1-CE1 3.56Å; Y312-H557 AromaticContact CE1-CE1 3.39Å; Y312-H557 WeakPolarHBondContact CE1-CE1 3.44Å; Y312-H557 AromaticContact CE1-NE2 3.94Å
313	P	94.9	Very high	96.3	Very high	94 Å²	94	55.1 Å²	55.1	61%	0.61	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	143	179	-26.5	35.4	0	0	0	112.5	L315	P313-L315 PolarHBondContact O-N 2.93Å
314	S	93.1	Very high	96.3	Very high	42 Å²	42	52.9 Å²	52.9	29%	0.294	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	-5.9	-174.7	79	0	0	0	0	118	L316 E317 R318	S314-L316 PolarHBondContact O-N 3.08Å; S314-E317 PolarHBondContact O-N 3.32Å; S314-R318 WeakPolarHBondContact O-CB 3.28Å; S314-R318 VanDerWaalsContact O-CG 3.28Å; S314-R318 WeakPolarHBondContact O-CG 3.29Å; S314-R318 PolarHBondContact O-N 3.11Å; S314-R318 PolarHBondContact OG-NE 3.04Å
315	L	96.4	Very high	96.2	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-54.3	-56.6	178.7	177.5	78.4	0	0	0	112	T308 Y312 P313 E317 N319 L549 A552 I553 T556	T308-L315 HydrophobicContact CG2-CD2 3.49Å; T308-L315 VanDerWaalsContact CG2-CD2 3.49Å; Y312-L315 VanDerWaalsContact O-CB 3.3Å; Y312-L315 WeakPolarHBondContact O-CB 3.45Å; Y312-L315 PolarHBondContact O-N 2.95Å; P313-L315 PolarHBondContact O-N 2.93Å; L315-E317 VanDerWaalsContact C-N 3.33Å; L315-N319 WeakPolarHBondContact O-CB 3.49Å; L315-N319 PolarHBondContact O-N 3.47Å; L315-N319 VanDerWaalsContact O-N 3.11Å; L315-L549 HydrophobicContact CD2-CD1 4.04Å; L315-A552 HydrophobicContact CD1-CB 4.28Å; L315-A552 WeakPolarHBondContact CD1-O 3.39Å; L315-I553 HydrophobicContact CD2-CG1 3.65Å; L315-T556 HydrophobicContact CD1-CG2 3.39Å
316	L	96.7	Very high	96.2	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-76.1	-21.9	-175.8	-59	-172.9	0	0	0	113	I305 T308 Q309 S314 N319 L322 L323 L326 L549	I305-L316 HydrophobicContact CG2-CD1 3.88Å; T308-L316 HydrophobicContact CG2-CD1 4.04Å; T308-L316 HydrophobicContact CG2-CD2 4.14Å; T308-L316 HydrophobicContact CG2-CG 3.99Å; Q309-L316 HydrophobicContact CG-CD1 3.94Å; S314-L316 PolarHBondContact O-N 3.08Å; L316-N319 CarbonylContact O-C 3.6Å; L316-L322 HydrophobicContact CD2-CD2 3.83Å; L316-L322 HydrophobicContact CD2-CG 3.95Å; L316-L323 HydrophobicContact CB-CB 4.26Å; L316-L323 HydrophobicContact CB-CD1 4.29Å; L316-L323 HydrophobicContact CD1-CD1 4.02Å; L316-L326 HydrophobicContact CD1-CD1 4.18Å; L316-L326 HydrophobicContact CD2-CD1 3.73Å; L316-L549 HydrophobicContact CD2-CD1 4.38Å
317	E	93.8	Very high	96.2	Very high	155 Å²	155	50.4 Å²	50.4	72%	0.724	25%	0.248	S	C	*	.	H	α-helix	trans	-72.3	-45.6	174	-176.1	-174.2	-173.2	0	0	110.9	S314 L315 N319	S314-E317 PolarHBondContact O-N 3.32Å; L315-E317 VanDerWaalsContact C-N 3.33Å; E317-N319 VanDerWaalsContact C-N 3.27Å; E317-N319 PolarHBondContact O-N 3.36Å
318	R	94.5	Very high	96.2	Very high	195 Å²	195	49.8 Å²	49.8	74%	0.736	24%	0.244	S	C	*	.	H	α-helix	trans	-69.3	-26.5	175.8	-67.9	174	-178.1	-166.5	2.7	112.4	S314 P320	S314-R318 WeakPolarHBondContact O-CB 3.28Å; S314-R318 VanDerWaalsContact O-CG 3.28Å; S314-R318 WeakPolarHBondContact O-CG 3.29Å; S314-R318 PolarHBondContact O-N 3.11Å; S314-R318 PolarHBondContact OG-NE 3.04Å; R318-P320 VanDerWaalsContact C-CD 3.47Å; R318-P320 WeakPolarHBondContact O-CD 3.42Å
319	N	95.2	Very high	96.2	Very high	59 Å²	59	50.3 Å²	50.3	32%	0.316	25%	0.246	S	C	.	.			trans	-120.5	72.1	-179.1	-160.3	-11.7	0	0	0	112.4	L315 L316 E317 D321 L322 L323	L315-N319 WeakPolarHBondContact O-CB 3.49Å; L315-N319 PolarHBondContact O-N 3.47Å; L315-N319 VanDerWaalsContact O-N 3.11Å; L316-N319 CarbonylContact O-C 3.6Å; E317-N319 VanDerWaalsContact C-N 3.27Å; E317-N319 PolarHBondContact O-N 3.36Å; N319-D321 VanDerWaalsContact C-N 3.3Å; N319-D321 PolarHBondContact O-N 2.96Å; N319-L322 HydrophobicContact CB-CB 4.06Å; N319-L322 HydrophobicContact CB-CD2 4.43Å; N319-L322 VanDerWaalsContact CG-CB 3.49Å; N319-L322 WeakPolarHBondContact O-CB 3.17Å; N319-L322 PolarHBondContact O-N 3.01Å; N319-L322 VanDerWaalsContact O-N 3.16Å; N319-L322 PolarHBondContact OD1-N 3.3Å; N319-L323 PolarHBondContact O-N 3.3Å; N319-L323 VanDerWaalsContact O-N 3.07Å
320	P	94.7	Very high	96.2	Very high	28 Å²	28	45.6 Å²	45.6	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-73	-19	-175	32.7	-39.1	0	0	0	113.4	R318 L323 F324 L502 R506	R318-P320 VanDerWaalsContact C-CD 3.47Å; R318-P320 WeakPolarHBondContact O-CD 3.42Å; P320-L323 PolarHBondContact O-N 3.1Å; P320-F324 VanDerWaalsContact O-CB 3.32Å; P320-F324 WeakPolarHBondContact O-CB 3.33Å; P320-F324 PolarHBondContact O-N 3.41Å; P320-L502 HydrophobicContact CB-CD2 4.01Å; P320-L502 HydrophobicContact CG-CD2 4.01Å; P320-R506 VanDerWaalsContact CD-NH2 3.31Å
321	D	94.4	Very high	96.2	Very high	38 Å²	38	38.8 Å²	38.8	20%	0.203	19%	0.193	C	C	.	.	H	α-helix	trans	-69	-38.7	168.9	-73.3	-80.7	0	0	0	111.2	N319 F324 M325 R506 N509 N512	N319-D321 VanDerWaalsContact C-N 3.3Å; N319-D321 PolarHBondContact O-N 2.96Å; D321-F324 PolarHBondContact O-N 2.96Å; D321-M325 WeakPolarHBondContact O-CB 3.36Å; D321-M325 PolarHBondContact O-N 2.93Å; D321-R506 WeakPolarHBondContact OD2-CD 3.47Å; D321-R506 IonicContact OD2-CZ 2.69Å; D321-R506 IonicContact OD2-NE 3.5Å; D321-R506 IonicContact OD2-NH1 2.71Å; D321-R506 PolarHBondContact OD2-NH1 3.2Å; D321-N509 PolarHBondContact OD1-ND2 3.23Å; D321-N512 PolarHBondContact OD1-ND2 3.47Å
322	L	96.2	Very high	96.3	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-45.1	170	169	62.6	0	0	0	111.4	L316 N319 F324 M325 L326 T548 L549 A552	L316-L322 HydrophobicContact CD2-CD2 3.83Å; L316-L322 HydrophobicContact CD2-CG 3.95Å; N319-L322 HydrophobicContact CB-CB 4.06Å; N319-L322 HydrophobicContact CB-CD2 4.43Å; N319-L322 VanDerWaalsContact CG-CB 3.49Å; N319-L322 WeakPolarHBondContact O-CB 3.17Å; N319-L322 PolarHBondContact O-N 3.01Å; N319-L322 VanDerWaalsContact O-N 3.16Å; N319-L322 PolarHBondContact OD1-N 3.3Å; L322-F324 VanDerWaalsContact C-N 3.3Å; L322-F324 PolarHBondContact O-N 3.11Å; L322-M325 HydrophobicContact CD1-CE 3.44Å; L322-M325 VanDerWaalsContact CD1-CE 3.44Å; L322-M325 PolarHBondContact O-N 2.98Å; L322-L326 HydrophobicContact CD1-CD1 4.03Å; L322-L326 HydrophobicContact CD1-CG 4.14Å; L322-L326 HydrophobicContact CG-CD1 4.09Å; L322-L326 VanDerWaalsContact O-CG 3.3Å; L322-L326 WeakPolarHBondContact O-CG 3.29Å; L322-L326 PolarHBondContact O-N 2.94Å; L322-T548 HydrophobicContact CD1-CG2 4.34Å; L322-L549 HydrophobicContact CD1-CB 4.37Å; L322-L549 HydrophobicContact CD2-CD1 4.17Å; L322-A552 HydrophobicContact CD2-CB 3.5Å
323	L	97.4	Very high	96.3	Very high	31 Å²	31	36 Å²	36	16%	0.162	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-43.1	174.9	179.1	58.7	0	0	0	111.6	I305 L316 N319 P320 L326 K327 M498	I305-L323 HydrophobicContact CG2-CD1 4.21Å; L316-L323 HydrophobicContact CB-CB 4.26Å; L316-L323 HydrophobicContact CB-CD1 4.29Å; L316-L323 HydrophobicContact CD1-CD1 4.02Å; N319-L323 PolarHBondContact O-N 3.3Å; N319-L323 VanDerWaalsContact O-N 3.07Å; P320-L323 PolarHBondContact O-N 3.1Å; L323-L326 PolarHBondContact O-N 3.42Å; L323-K327 HydrophobicContact CD1-CG 4.12Å; L323-K327 HydrophobicContact CG-CG 4.48Å; L323-K327 WeakPolarHBondContact O-CB 3.09Å; L323-K327 WeakPolarHBondContact O-CG 3.33Å; L323-K327 PolarHBondContact O-N 3.39Å; L323-M498 HydrophobicContact CD2-CE 4.41Å
324	F	97	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-46.3	176.2	-178.4	-99.8	0	0	0	112	P320 D321 L322 L326 K327 V328 L495 M498 L502 N512 L516	P320-F324 VanDerWaalsContact O-CB 3.32Å; P320-F324 WeakPolarHBondContact O-CB 3.33Å; P320-F324 PolarHBondContact O-N 3.41Å; D321-F324 PolarHBondContact O-N 2.96Å; L322-F324 VanDerWaalsContact C-N 3.3Å; L322-F324 PolarHBondContact O-N 3.11Å; F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 PolarHBondContact O-N 3.1Å; F324-K327 PolarHBondContact O-N 3.22Å; F324-V328 HydrophobicContact CD1-CG2 4.07Å; F324-V328 HydrophobicContact CE1-CG2 3.62Å; F324-V328 HydrophobicContact CE2-CG2 4.23Å; F324-V328 HydrophobicContact CZ-CG2 3.73Å; F324-V328 WeakPolarHBondContact O-CG2 3.47Å; F324-V328 PolarHBondContact O-N 2.95Å; F324-L495 HydrophobicContact CD2-CD1 3.83Å; F324-L495 HydrophobicContact CE2-CD1 3.59Å; F324-L495 HydrophobicContact CE2-CG 4.24Å; F324-L495 HydrophobicContact CZ-CD1 4.41Å; F324-M498 HydrophobicContact CB-SD 4.25Å; F324-M498 HydrophobicContact CD2-CB 4.44Å; F324-M498 HydrophobicContact CD2-CG 3.98Å; F324-M498 HydrophobicContact CD2-SD 3.91Å; F324-L502 HydrophobicContact CB-CD1 3.58Å; F324-L502 HydrophobicContact CD2-CD1 3.94Å; F324-L502 HydrophobicContact CG-CD1 3.78Å; F324-N512 HydrophobicContact CD1-CB 3.9Å; F324-N512 HydrophobicContact CE1-CB 3.55Å; F324-N512 HydrophobicContact CZ-CB 4.43Å; F324-L516 HydrophobicContact CZ-CB 4.18Å; F324-L516 HydrophobicContact CZ-CD1 4.11Å; F324-L516 HydrophobicContact CZ-CD2 4.33Å; F324-L516 HydrophobicContact CZ-CG 4.46Å
325	M	97.3	Very high	96.3	Very high	30 Å²	30	29.5 Å²	29.5	15%	0.148	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-45	175.2	-177	-170.8	71.8	0	0	111.8	D321 L322 V328 R329 M515 V545 T548	D321-M325 WeakPolarHBondContact O-CB 3.36Å; D321-M325 PolarHBondContact O-N 2.93Å; L322-M325 HydrophobicContact CD1-CE 3.44Å; L322-M325 VanDerWaalsContact CD1-CE 3.44Å; L322-M325 PolarHBondContact O-N 2.98Å; M325-V328 PolarHBondContact O-N 3.22Å; M325-R329 PolarHBondContact O-N 3.33Å; M325-M515 HydrophobicContact CB-CE 4.36Å; M325-M515 HydrophobicContact CG-CE 3.85Å; M325-M515 HydrophobicContact CG-SD 4.33Å; M325-V545 HydrophobicContact CE-CB 4.47Å; M325-V545 HydrophobicContact CE-CG1 4Å; M325-T548 HydrophobicContact CE-CG2 3.66Å; M325-T548 HydrophobicContact SD-CG2 4.16Å
326	L	98.2	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-41.3	176.1	-68.6	167	0	0	0	112	M301 I305 L316 L322 L323 F324 R329 Q330 V545 L549	M301-L326 HydrophobicContact CE-CB 4.36Å; M301-L326 HydrophobicContact CE-CD2 3.58Å; I305-L326 HydrophobicContact CD1-CB 3.9Å; I305-L326 HydrophobicContact CG1-CB 3.98Å; I305-L326 HydrophobicContact CG1-CD1 4.29Å; L316-L326 HydrophobicContact CD1-CD1 4.18Å; L316-L326 HydrophobicContact CD2-CD1 3.73Å; L322-L326 HydrophobicContact CD1-CD1 4.03Å; L322-L326 HydrophobicContact CD1-CG 4.14Å; L322-L326 HydrophobicContact CG-CD1 4.09Å; L322-L326 VanDerWaalsContact O-CG 3.3Å; L322-L326 WeakPolarHBondContact O-CG 3.29Å; L322-L326 PolarHBondContact O-N 2.94Å; L323-L326 PolarHBondContact O-N 3.42Å; F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 PolarHBondContact O-N 3.1Å; L326-R329 PolarHBondContact O-N 3.28Å; L326-Q330 PolarHBondContact O-N 3.15Å; L326-V545 HydrophobicContact CD2-CG1 3.61Å; L326-L549 HydrophobicContact CD1-CD1 4.27Å; L326-L549 HydrophobicContact CD1-CD2 4.37Å; L326-L549 HydrophobicContact CD2-CB 4.45Å; L326-L549 HydrophobicContact CD2-CD2 4Å
327	K	97.9	Very high	95.9	Very high	46 Å²	46	31.1 Å²	31.1	20%	0.2	15%	0.149	C	C	.	.	H	α-helix	trans	-71	-33.9	177.8	-70.9	-72	178.4	-170.3	0	112.8	I305 L323 F324 Q330 F331 F491 L495 M498	I305-K327 HydrophobicContact CD1-CD 3.88Å; I305-K327 HydrophobicContact CD1-CG 4.25Å; L323-K327 HydrophobicContact CD1-CG 4.12Å; L323-K327 HydrophobicContact CG-CG 4.48Å; L323-K327 WeakPolarHBondContact O-CB 3.09Å; L323-K327 WeakPolarHBondContact O-CG 3.33Å; L323-K327 PolarHBondContact O-N 3.39Å; F324-K327 PolarHBondContact O-N 3.22Å; K327-Q330 PolarHBondContact O-N 2.95Å; K327-F331 PolarHBondContact O-N 3.47Å; K327-F491 HydrophobicContact CB-CZ 4.25Å; K327-F491 HydrophobicContact CD-CE2 3.98Å; K327-F491 HydrophobicContact CD-CZ 3.52Å; K327-F491 WeakPolarHBondContact O-CE1 3.37Å; K327-L495 HydrophobicContact CB-CD1 3.81Å; K327-M498 HydrophobicContact CG-CE 4.4Å
328	V	98	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-45.2	168.8	176.2	0	0	0	0	110.6	F324 M325 Q330 F331 I332 L495 M515 L516 A519	F324-V328 HydrophobicContact CD1-CG2 4.07Å; F324-V328 HydrophobicContact CE1-CG2 3.62Å; F324-V328 HydrophobicContact CE2-CG2 4.23Å; F324-V328 HydrophobicContact CZ-CG2 3.73Å; F324-V328 WeakPolarHBondContact O-CG2 3.47Å; F324-V328 PolarHBondContact O-N 2.95Å; M325-V328 PolarHBondContact O-N 3.22Å; V328-Q330 VanDerWaalsContact C-N 3.34Å; V328-Q330 PolarHBondContact O-N 3.41Å; V328-F331 PolarHBondContact O-N 3.3Å; V328-I332 HydrophobicContact CG1-CD1 4.24Å; V328-I332 WeakPolarHBondContact O-CG1 3.48Å; V328-I332 PolarHBondContact O-N 3.48Å; V328-I332 VanDerWaalsContact O-N 3.16Å; V328-L495 HydrophobicContact CB-CD2 4.48Å; V328-L495 HydrophobicContact CG2-CD1 4.06Å; V328-L495 HydrophobicContact CG2-CD2 4.04Å; V328-L495 HydrophobicContact CG2-CG 4.46Å; V328-M515 HydrophobicContact CB-CE 3.89Å; V328-M515 HydrophobicContact CG1-CB 4.32Å; V328-M515 HydrophobicContact CG1-CE 3.86Å; V328-M515 HydrophobicContact CG2-CE 4.36Å; V328-L516 HydrophobicContact CG2-CD1 4.45Å; V328-A519 HydrophobicContact CG1-CB 3.79Å
329	R	97.7	Very high	95.8	Very high	10 Å²	10	16.4 Å²	16.4	4%	0.038	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-41.1	175.3	-172.7	70.6	-132.9	164.5	0.3	111.6	M301 M325 L326 F331 I332 E333 Q536 V545	M301-R329 HydrophobicContact CE-CB 4.04Å; M301-R329 HydrophobicContact CE-CG 4.04Å; M301-R329 HydrophobicContact CG-CB 4.44Å; M301-R329 HydrophobicContact CG-CG 3.97Å; M301-R329 HydrophobicContact SD-CB 4.37Å; M301-R329 HydrophobicContact SD-CG 3.74Å; M325-R329 PolarHBondContact O-N 3.33Å; L326-R329 PolarHBondContact O-N 3.28Å; R329-F331 VanDerWaalsContact C-N 3.33Å; R329-F331 PolarHBondContact O-N 2.89Å; R329-I332 PolarHBondContact O-N 3.36Å; R329-I332 VanDerWaalsContact O-N 3.1Å; R329-E333 IonicContact CZ-OE1 3.54Å; R329-E333 IonicContact NE-OE1 2.79Å; R329-E333 PolarHBondContact NE-OE1 3.45Å; R329-E333 VanDerWaalsContact NH2-CD 3.35Å; R329-E333 IonicContact NH2-OE1 3.81Å; R329-E333 PolarHBondContact NH2-OE1 3.05Å; R329-E333 IonicContact NH2-OE2 3.7Å; R329-E333 WeakPolarHBondContact O-CG 3.42Å; R329-E333 PolarHBondContact O-N 2.92Å; R329-Q536 VanDerWaalsContact CZ-O 3.3Å; R329-Q536 PolarHBondContact NH1-O 2.85Å; R329-Q536 PolarHBondContact NH2-O 3.03Å; R329-V545 HydrophobicContact CB-CG1 4.29Å; R329-V545 HydrophobicContact CB-CG2 4.29Å; R329-V545 HydrophobicContact CG-CG1 4.44Å; R329-V545 HydrophobicContact CG-CG2 4.28Å
330	Q	97.8	Very high	95.3	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-55.6	-47.6	174.5	-173.7	174.3	11.3	0	0	111.4	M301 L326 K327 V328 I332 E333 M334 D339 F491	M301-Q330 HydrophobicContact CB-CB 3.61Å; M301-Q330 HydrophobicContact CB-CG 3.91Å; M301-Q330 HydrophobicContact CG-CB 4.42Å; L326-Q330 PolarHBondContact O-N 3.15Å; K327-Q330 PolarHBondContact O-N 2.95Å; V328-Q330 VanDerWaalsContact C-N 3.34Å; V328-Q330 PolarHBondContact O-N 3.41Å; Q330-I332 VanDerWaalsContact C-N 3.31Å; Q330-I332 PolarHBondContact O-N 3.02Å; Q330-E333 CarbonylContact O-C 3.53Å; Q330-E333 PolarHBondContact O-N 3.46Å; Q330-E333 VanDerWaalsContact O-N 3.13Å; Q330-M334 HydrophobicContact CG-CG 4.47Å; Q330-M334 HydrophobicContact CG-SD 4.33Å; Q330-M334 VanDerWaalsContact O-CG 3.3Å; Q330-M334 WeakPolarHBondContact O-CG 3.26Å; Q330-M334 PolarHBondContact O-N 3.21Å; Q330-D339 WeakPolarHBondContact CG-OD1 3.45Å; Q330-D339 PolarHBondContact NE2-OD1 3.07Å; Q330-F491 HydrophobicContact CB-CE1 4.42Å; Q330-F491 HydrophobicContact CB-CZ 3.86Å; Q330-F491 HydrophobicContact CG-CE2 4.12Å; Q330-F491 HydrophobicContact CG-CZ 3.81Å; Q330-F491 VanDerWaalsContact OE1-CE2 3.3Å; Q330-F491 VanDerWaalsContact OE1-CZ 3.32Å
331	F	97.6	Very high	94.8	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-57.4	-41.7	175.6	176.9	-93	0	0	0	112.7	K327 V328 R329 M334 V335 M488 F491 L495 A519 F520 L523	K327-F331 PolarHBondContact O-N 3.47Å; V328-F331 PolarHBondContact O-N 3.3Å; R329-F331 VanDerWaalsContact C-N 3.33Å; R329-F331 PolarHBondContact O-N 2.89Å; F331-M334 WeakPolarHBondContact O-CB 3.46Å; F331-M334 PolarHBondContact O-N 3.45Å; F331-V335 HydrophobicContact CD1-CG2 4.27Å; F331-V335 HydrophobicContact CE1-CG2 3.84Å; F331-V335 HydrophobicContact CZ-CG2 4.13Å; F331-V335 WeakPolarHBondContact O-CG2 3.1Å; F331-V335 PolarHBondContact O-N 3.27Å; F331-M488 HydrophobicContact CD2-CG 4.16Å; F331-M488 HydrophobicContact CE2-CG 3.77Å; F331-M488 HydrophobicContact CZ-CG 4.41Å; F331-F491 HydrophobicContact CB-CD1 4.03Å; F331-F491 HydrophobicContact CB-CE1 3.87Å; F331-F491 HydrophobicContact CD2-CD1 4.12Å; F331-L495 HydrophobicContact CB-CD2 3.98Å; F331-L495 HydrophobicContact CG-CD2 4.4Å; F331-A519 HydrophobicContact CD1-CB 4.2Å; F331-F520 HydrophobicContact CD1-CD1 4.2Å; F331-F520 HydrophobicContact CD1-CE1 4.32Å; F331-F520 HydrophobicContact CD2-CE1 4.41Å; F331-F520 AromaticContact CE1-CD1 3.65Å; F331-F520 HydrophobicContact CE1-CD1 3.65Å; F331-F520 HydrophobicContact CE1-CE1 4.09Å; F331-F520 HydrophobicContact CE2-CD1 4.36Å; F331-F520 HydrophobicContact CE2-CE1 4.16Å; F331-F520 HydrophobicContact CG-CE1 4.47Å; F331-F520 AromaticContact CZ-CD1 3.73Å; F331-F520 HydrophobicContact CZ-CD1 3.73Å; F331-F520 AromaticContact CZ-CE1 3.99Å; F331-F520 HydrophobicContact CZ-CE1 3.99Å; F331-L523 HydrophobicContact CZ-CD1 3.84Å; F331-L523 HydrophobicContact CZ-CG 4.13Å
332	I	96.9	Very high	94.3	Very high	7 Å²	7	14.4 Å²	14.4	4%	0.036	8%	0.078	C	C	.	.	H	α-helix	trans	-66.1	-38.8	177.1	-59.8	164.7	0	0	0	111.1	V328 R329 Q330 M334 V335 N336 A519 L522 Q536 L537	V328-I332 HydrophobicContact CG1-CD1 4.24Å; V328-I332 WeakPolarHBondContact O-CG1 3.48Å; V328-I332 PolarHBondContact O-N 3.48Å; V328-I332 VanDerWaalsContact O-N 3.16Å; R329-I332 PolarHBondContact O-N 3.36Å; R329-I332 VanDerWaalsContact O-N 3.1Å; Q330-I332 VanDerWaalsContact C-N 3.31Å; Q330-I332 PolarHBondContact O-N 3.02Å; I332-M334 VanDerWaalsContact C-N 3.31Å; I332-M334 PolarHBondContact O-N 3.1Å; I332-V335 WeakPolarHBondContact O-CB 3.46Å; I332-V335 PolarHBondContact O-N 2.96Å; I332-N336 WeakPolarHBondContact O-CB 3.35Å; I332-N336 PolarHBondContact O-N 2.91Å; I332-A519 HydrophobicContact CD1-CB 4.01Å; I332-A519 HydrophobicContact CG1-CB 3.86Å; I332-L522 HydrophobicContact CG1-CD1 4.29Å; I332-L522 HydrophobicContact CG2-CD1 4.1Å; I332-Q536 HydrophobicContact CD1-CB 4.44Å; I332-Q536 HydrophobicContact CG2-CB 4.35Å; I332-Q536 WeakPolarHBondContact CG2-O 3.25Å; I332-L537 HydrophobicContact CG2-CD2 3.8Å
333	E	96.4	Very high	93.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-71.1	-25.4	174.3	-59.8	-54.4	169.7	0	0	113.5	G299 M301 R329 Q330 N336 G337 T338 D339 R542	G299-E333 WeakPolarHBondContact O-CB 3.4Å; M301-E333 HydrophobicContact CG-CB 4.39Å; M301-E333 HydrophobicContact CG-CG 3.75Å; R329-E333 IonicContact CZ-OE1 3.54Å; R329-E333 IonicContact NE-OE1 2.79Å; R329-E333 PolarHBondContact NE-OE1 3.45Å; R329-E333 VanDerWaalsContact NH2-CD 3.35Å; R329-E333 IonicContact NH2-OE1 3.81Å; R329-E333 PolarHBondContact NH2-OE1 3.05Å; R329-E333 IonicContact NH2-OE2 3.7Å; R329-E333 WeakPolarHBondContact O-CG 3.42Å; R329-E333 PolarHBondContact O-N 2.92Å; Q330-E333 CarbonylContact O-C 3.53Å; Q330-E333 PolarHBondContact O-N 3.46Å; Q330-E333 VanDerWaalsContact O-N 3.13Å; E333-N336 PolarHBondContact O-N 3.35Å; E333-N336 PolarHBondContact OE2-ND2 3.21Å; E333-G337 PolarHBondContact O-N 3.34Å; E333-T338 PolarHBondContact O-N 3.04Å; E333-T338 PolarHBondContact OE2-OG1 2.86Å; E333-D339 HydrophobicContact CB-CB 3.94Å; E333-D339 PolarHBondContact O-N 2.9Å; E333-R542 WeakPolarHBondContact OE1-CG 3.37Å; E333-R542 IonicContact OE1-CZ 3.77Å; E333-R542 IonicContact OE1-NE 3.44Å; E333-R542 PolarHBondContact OE1-NE 3.06Å; E333-R542 IonicContact OE1-NH2 3.52Å; E333-R542 IonicContact OE2-CZ 3.68Å; E333-R542 IonicContact OE2-NE 3.9Å; E333-R542 IonicContact OE2-NH2 2.78Å; E333-R542 PolarHBondContact OE2-NH2 3.01Å
334	M	95.5	Very high	92	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.9	-46.9	169.2	-67.6	172.5	84	0	0	111	Q330 F331 I332 N336 G337 D339 E341 V342 C478 R487 M488 F491	Q330-M334 HydrophobicContact CG-CG 4.47Å; Q330-M334 HydrophobicContact CG-SD 4.33Å; Q330-M334 VanDerWaalsContact O-CG 3.3Å; Q330-M334 WeakPolarHBondContact O-CG 3.26Å; Q330-M334 PolarHBondContact O-N 3.21Å; F331-M334 WeakPolarHBondContact O-CB 3.46Å; F331-M334 PolarHBondContact O-N 3.45Å; I332-M334 VanDerWaalsContact C-N 3.31Å; I332-M334 PolarHBondContact O-N 3.1Å; M334-N336 PolarHBondContact O-N 2.81Å; M334-G337 PolarHBondContact O-N 2.86Å; M334-D339 HydrophobicContact CG-CB 3.86Å; M334-E341 HydrophobicContact CE-CB 3.96Å; M334-V342 HydrophobicContact CB-CG1 3.84Å; M334-V342 HydrophobicContact CB-CG2 4.24Å; M334-V342 HydrophobicContact CE-CG1 3.8Å; M334-V342 HydrophobicContact CG-CG1 4Å; M334-V342 HydrophobicContact CG-CG2 4.36Å; M334-C478 PolarHBondContact O-SG 2.86Å; M334-R487 HydrophobicContact CE-CG 4.01Å; M334-M488 HydrophobicContact CB-CB 4.35Å; M334-M488 HydrophobicContact CB-CG 4.14Å; M334-M488 HydrophobicContact CE-CB 4.22Å; M334-F491 HydrophobicContact CE-CB 3.91Å; M334-F491 HydrophobicContact CE-CD2 4.38Å; M334-F491 HydrophobicContact CE-CG 4.2Å; M334-F491 HydrophobicContact SD-CB 3.97Å; M334-F491 HydrophobicContact SD-CD1 3.94Å; M334-F491 HydrophobicContact SD-CD2 3.87Å; M334-F491 HydrophobicContact SD-CE1 4.38Å; M334-F491 HydrophobicContact SD-CE2 4.3Å; M334-F491 HydrophobicContact SD-CG 3.66Å
335	V	94	Very high	90.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-52.6	-46.1	171.2	171.2	0	0	0	0	110.4	F331 I332 G337 L477 C478 M488 L522 L523 P528 L537	F331-V335 HydrophobicContact CD1-CG2 4.27Å; F331-V335 HydrophobicContact CE1-CG2 3.84Å; F331-V335 HydrophobicContact CZ-CG2 4.13Å; F331-V335 WeakPolarHBondContact O-CG2 3.1Å; F331-V335 PolarHBondContact O-N 3.27Å; I332-V335 WeakPolarHBondContact O-CB 3.46Å; I332-V335 PolarHBondContact O-N 2.96Å; V335-G337 VanDerWaalsContact C-N 3.26Å; V335-G337 PolarHBondContact O-N 3.4Å; V335-L477 HydrophobicContact CG1-CD2 3.75Å; V335-C478 PolarHBondContact O-N 3.46Å; V335-C478 VanDerWaalsContact O-N 3.12Å; V335-M488 HydrophobicContact CB-SD 4.27Å; V335-M488 HydrophobicContact CG2-CG 4.44Å; V335-M488 HydrophobicContact CG2-SD 3.5Å; V335-M488 WeakPolarHBondContact CG2-SD 3.27Å; V335-L522 HydrophobicContact CG1-CB 4.36Å; V335-L522 HydrophobicContact CG1-CD1 4.37Å; V335-L523 HydrophobicContact CG2-CD2 4.16Å; V335-P528 HydrophobicContact CG1-CB 4.28Å; V335-P528 HydrophobicContact CG1-CG 4.38Å; V335-L537 HydrophobicContact CB-CD2 4.29Å; V335-L537 HydrophobicContact CG1-CD2 3.88Å
336	N	92.8	Very high	88.7	Confident	30 Å²	30	27.1 Å²	27.1	16%	0.16	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.4	178.9	-152.1	19.8	0	0	0	114.2	I332 E333 M334 W529 L537	I332-N336 WeakPolarHBondContact O-CB 3.35Å; I332-N336 PolarHBondContact O-N 2.91Å; E333-N336 PolarHBondContact O-N 3.35Å; E333-N336 PolarHBondContact OE2-ND2 3.21Å; M334-N336 PolarHBondContact O-N 2.81Å; N336-W529 PolarHBondContact OD1-NE1 3.3Å; N336-L537 HydrophobicContact CB-CD2 3.76Å; N336-L537 PolarHBondContact ND2-O 3.43Å
337	G	91.9	Very high	86.1	Confident	17 Å²	17	31 Å²	31	18%	0.175	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	10.3	-177.2	0	0	0	0	0	115.9	E333 M334 V335	E333-G337 PolarHBondContact O-N 3.34Å; M334-G337 PolarHBondContact O-N 2.86Å; V335-G337 VanDerWaalsContact C-N 3.26Å; V335-G337 PolarHBondContact O-N 3.4Å
338	T	91	Very high	83.1	Confident	41 Å²	41	40 Å²	40	25%	0.252	22%	0.223	S	C	.	.			trans	-96.4	-22.9	-175.5	64.8	0	0	0	0	114.4	E333 R542	E333-T338 PolarHBondContact O-N 3.04Å; E333-T338 PolarHBondContact OE2-OG1 2.86Å; T338-R542 PolarHBondContact OG1-NH2 2.9Å
339	D	93.9	Very high	80	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-69.9	147.4	177.4	-165.8	-116.3	0	0	0	112.1	M301 G302 Q330 E333 M334 E341 V342 R343	M301-D339 PolarHBondContact N-OD2 3.39Å; G302-D339 PolarHBondContact N-OD2 3.16Å; Q330-D339 WeakPolarHBondContact CG-OD1 3.45Å; Q330-D339 PolarHBondContact NE2-OD1 3.07Å; E333-D339 HydrophobicContact CB-CB 3.94Å; E333-D339 PolarHBondContact O-N 2.9Å; M334-D339 HydrophobicContact CG-CB 3.86Å; D339-E341 VanDerWaalsContact C-N 3.31Å; D339-E341 PolarHBondContact O-N 3.41Å; D339-V342 HydrophobicContact CB-CG2 4.39Å; D339-V342 WeakPolarHBondContact O-CG2 3.5Å; D339-V342 PolarHBondContact O-N 3.35Å; D339-R343 VanDerWaalsContact O-CB 3.27Å; D339-R343 WeakPolarHBondContact O-CB 3.24Å; D339-R343 PolarHBondContact O-N 3.03Å
340	S	85.7	Confident	77	Confident	20 Å²	20	50.3 Å²	50.3	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-35.2	-174.5	50.8	0	0	0	0	113.7	E303 V342 R343 C344	E303-S340 WeakPolarHBondContact OE1-CB 3.43Å; S340-V342 PolarHBondContact O-N 2.9Å; S340-R343 PolarHBondContact O-N 3.43Å; S340-C344 PolarHBondContact O-N 2.82Å; S340-C344 PolarHBondContact O-SG 3.05Å; S340-C344 VanDerWaalsContact O-SG 3.4Å
341	E	82.5	Confident	73.8	Confident	62 Å²	62	58.9 Å²	58.9	29%	0.29	33%	0.33	S	S	.	.	H	α-helix	trans	-58	-31.2	178.1	-77.4	-105.9	-145	0	0	113.4	M334 D339 L345 R487	M334-E341 HydrophobicContact CE-CB 3.96Å; D339-E341 VanDerWaalsContact C-N 3.31Å; D339-E341 PolarHBondContact O-N 3.41Å; E341-L345 WeakPolarHBondContact O-CD1 3.34Å; E341-R487 IonicContact OE1-CZ 3.02Å; E341-R487 IonicContact OE1-NE 2.71Å; E341-R487 IonicContact OE1-NH2 2.77Å; E341-R487 PolarHBondContact OE1-NH2 2.92Å; E341-R487 IonicContact OE2-CZ 3.37Å; E341-R487 IonicContact OE2-NE 3.78Å; E341-R487 PolarHBondContact OE2-NE 3.17Å; E341-R487 IonicContact OE2-NH2 3.23Å; E341-R487 PolarHBondContact OE2-NH2 3.15Å
342	V	84	Confident	70.7	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	37%	0.37	C	S	.	.	H	α-helix	trans	-101.9	-37.2	177.8	-69.2	0	0	0	0	112.5	M334 D339 S340 C344 L345 G346 C478 A484	M334-V342 HydrophobicContact CB-CG1 3.84Å; M334-V342 HydrophobicContact CB-CG2 4.24Å; M334-V342 HydrophobicContact CE-CG1 3.8Å; M334-V342 HydrophobicContact CG-CG1 4Å; M334-V342 HydrophobicContact CG-CG2 4.36Å; D339-V342 HydrophobicContact CB-CG2 4.39Å; D339-V342 WeakPolarHBondContact O-CG2 3.5Å; D339-V342 PolarHBondContact O-N 3.35Å; S340-V342 PolarHBondContact O-N 2.9Å; V342-C344 VanDerWaalsContact C-N 3.3Å; V342-C344 PolarHBondContact O-N 2.87Å; V342-L345 WeakPolarHBondContact O-CA 3.17Å; V342-L345 WeakPolarHBondContact O-CB 3.11Å; V342-L345 PolarHBondContact O-N 3.18Å; V342-G346 PolarHBondContact O-N 2.78Å; V342-G346 VanDerWaalsContact O-N 3.16Å; V342-C478 HydrophobicContact CB-CB 4.4Å; V342-C478 HydrophobicContact CG1-CB 4.29Å; V342-A484 HydrophobicContact CB-CB 3.86Å; V342-A484 HydrophobicContact CG1-CB 3.97Å
343	R	77.3	Confident	67.4	Low	130 Å²	130	73.6 Å²	73.6	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-62.2	-37.1	-176	-169.5	-176	69.3	161.7	1	112.1	D339 S340 L345 G346	D339-R343 VanDerWaalsContact O-CB 3.27Å; D339-R343 WeakPolarHBondContact O-CB 3.24Å; D339-R343 PolarHBondContact O-N 3.03Å; S340-R343 PolarHBondContact O-N 3.43Å; R343-L345 PolarHBondContact O-N 2.96Å; R343-G346 PolarHBondContact O-N 2.88Å
344	C	69.6	Low	64.2	Low	102 Å²	102	80.5 Å²	80.5	69%	0.689	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.6	176.5	-65	0	0	0	0	113.6	S340 V342	S340-C344 PolarHBondContact O-N 2.82Å; S340-C344 PolarHBondContact O-SG 3.05Å; S340-C344 VanDerWaalsContact O-SG 3.4Å; V342-C344 VanDerWaalsContact C-N 3.3Å; V342-C344 PolarHBondContact O-N 2.87Å
345	L	69.8	Low	61.2	Low	74 Å²	74	86.1 Å²	86.1	39%	0.387	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.3	174.9	-57.7	178.1	0	0	0	112.3	E341 V342 R343 G347 S481 A483 A484 R487	E341-L345 WeakPolarHBondContact O-CD1 3.34Å; V342-L345 WeakPolarHBondContact O-CA 3.17Å; V342-L345 WeakPolarHBondContact O-CB 3.11Å; V342-L345 PolarHBondContact O-N 3.18Å; R343-L345 PolarHBondContact O-N 2.96Å; L345-G347 PolarHBondContact O-N 3.43Å; L345-S481 VanDerWaalsContact O-CB 3.26Å; L345-S481 WeakPolarHBondContact O-CB 3.23Å; L345-S481 PolarHBondContact O-OG 3.01Å; L345-A483 HydrophobicContact CB-CB 4.48Å; L345-A483 HydrophobicContact CD1-CB 4.43Å; L345-A484 HydrophobicContact CB-CB 4.05Å; L345-R487 HydrophobicContact CD1-CB 4.06Å; L345-R487 HydrophobicContact CD1-CG 4.46Å
346	G	55.1	Low	58.5	Low	28 Å²	28	96.7 Å²	96.7	29%	0.289	53%	0.53	S	S	.	.	S	Bend	trans	-77.4	91.8	169.1	0	0	0	0	0	111	V342 R343 R348	V342-G346 PolarHBondContact O-N 2.78Å; V342-G346 VanDerWaalsContact O-N 3.16Å; R343-G346 PolarHBondContact O-N 2.88Å; G346-R348 VanDerWaalsContact C-N 3.27Å; G346-R348 PolarHBondContact O-N 2.78Å
347	G	41.7	Very low	55.7	Low	80 Å²	80	101.3 Å²	101.3	83%	0.825	56%	0.562	S	S	*	*			trans	-68.9	66.7	-175.5	0	0	0	0	0	115.9	L345	L345-G347 PolarHBondContact O-N 3.43Å
348	R	35.9	Very low	53	Low	236 Å²	236	104.1 Å²	104.1	89%	0.891	59%	0.591	S	S	*	*			trans	-146.1	87.4	155.6	-76.1	-160.3	176.8	-162.1	-0.9	110.6	G346	G346-R348 VanDerWaalsContact C-N 3.27Å; G346-R348 PolarHBondContact O-N 2.78Å
349	S	32.3	Very low	50.4	Low	98 Å²	98	107.7 Å²	107.7	69%	0.685	62%	0.617	S	S	*	*			trans	-81.7	122.5	159.4	-172.1	0	0	0	0	108.4	K351	S349-K351 VanDerWaalsContact C-N 3.26Å; S349-K351 PolarHBondContact O-N 3.02Å
350	P	34.3	Very low	48	Very low	129 Å²	129	112.9 Å²	112.9	84%	0.838	65%	0.651	S	S	*	*			trans	-78	78.1	174.6	32.1	-33.6	0	0	0	109.9
351	K	31.2	Very low	45.6	Very low	180 Å²	180	122.6 Å²	122.6	78%	0.783	68%	0.684	S	S	*	*			trans	-135.9	138.3	164.5	-70.2	-166.2	173.7	-173.3	0	109.4	S349	S349-K351 VanDerWaalsContact C-N 3.26Å; S349-K351 PolarHBondContact O-N 3.02Å
352	S	31.9	Very low	43.1	Very low	118 Å²	118	126.2 Å²	126.2	83%	0.825	71%	0.705	S	S	*	*			trans	75.6	66.9	-174.2	69.8	0	0	0	0	117.6
353	Q	29.4	Very low	40.5	Very low	199 Å²	199	134.8 Å²	134.8	93%	0.93	74%	0.743	S	S	*	*			trans	-125.3	58.4	144.1	-92.7	-162.9	-43.1	0	0	110.7
354	D	29.1	Very low	38.3	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	76%	0.757	S	S	*	*			trans	-123.3	103.4	158.6	-87.4	-52.4	0	0	0	107.7
355	S	31.3	Very low	36.6	Very low	118 Å²	118	136.1 Å²	136.1	83%	0.825	76%	0.761	S	S	*	*			trans	-153.1	79.1	174.6	-72.2	0	0	0	0	109.1
356	Y	37	Very low	35.2	Very low	222 Å²	222	138 Å²	138	87%	0.871	78%	0.778	S	S	*	*			trans	-77	133.5	168	-92.9	-87.8	0	0	0	110.4
357	P	34.4	Very low	34.1	Very low	127 Å²	127	141.9 Å²	141.9	83%	0.825	80%	0.796	S	S	*	*			trans	-85	122.4	173.5	32	-31.1	0	0	0	111.2
358	G	35.8	Very low	33.8	Very low	76 Å²	76	145.9 Å²	145.9	78%	0.784	79%	0.793	S	S	*	*			trans	-165.2	85.2	-178.9	0	0	0	0	0	113.7
359	S	36.8	Very low	33.6	Very low	115 Å²	115	143.3 Å²	143.3	80%	0.804	79%	0.788	S	S	*	*			trans	-73.3	-179.4	-177.9	-53.7	0	0	0	0	114.4
360	P	43.1	Very low	33.7	Very low	110 Å²	110	144.7 Å²	144.7	71%	0.714	80%	0.795	S	S	*	*				-140.3	-166.3	-51.3	37.7	-19.2	0	0	0	113.5
361	R	34.5	Very low	33.9	Very low	223 Å²	223	144.4 Å²	144.4	84%	0.842	80%	0.796	S	S	*	*			trans	110.5	147.9	156.6	-59.8	-172.9	-171.7	-148.9	1.7	116.6
362	L	29.6	Very low	34	Very low	138 Å²	138	140.8 Å²	140.8	72%	0.723	79%	0.793	S	S	*	*			cis	-172.4	131.4	-36.7	-106.5	171.7	0	0	0	105.9
363	F	29.6	Very low	34.2	Very low	181 Å²	181	139.6 Å²	139.6	79%	0.794	79%	0.785	S	S	*	*			trans	35.9	114.8	151.7	-78.8	-108.3	0	0	0	121.6
364	N	31.5	Very low	34.4	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	78%	0.78	S	S	*	*				176.1	142.2	102.8	-95.1	-11.6	0	0	0	114.1
365	S	33.4	Very low	34.4	Very low	110 Å²	110	134.9 Å²	134.9	77%	0.769	77%	0.77	S	S	*	*			trans	-118.1	-170.5	157.8	-48.3	0	0	0	0	107.1
366	P	40.7	Very low	34.5	Very low	115 Å²	115	138.5 Å²	138.5	75%	0.747	77%	0.767	S	S	*	*			cis	-146.6	-166.7	0.6	30.2	-2.6	0	0	0	116.9
367	V	32.5	Very low	34.2	Very low	109 Å²	109	135.7 Å²	135.7	66%	0.661	76%	0.761	S	S	*	*			trans	87.4	140.5	149.9	-140.7	0	0	0	0	122.9
368	H	35.3	Very low	33.9	Very low	163 Å²	163	136 Å²	136	76%	0.755	76%	0.761	S	S	*	*			trans	88.2	136.9	161.3	-62.5	-56.7	0	0	0	117.6
369	K	32.3	Very low	33.7	Very low	183 Å²	183	135.5 Å²	135.5	80%	0.796	76%	0.756	S	S	*	*			cis	-156.1	156.6	2.7	-121.8	175.7	-172.6	179.5	0	109.9
370	P	34.4	Very low	33.5	Very low	127 Å²	127	139.4 Å²	139.4	83%	0.825	76%	0.759	S	S	*	*			trans	-93.2	162.5	173.3	37	-33.8	0	0	0	113.5
371	S	37.3	Very low	33.1	Very low	122 Å²	122	140.9 Å²	140.9	85%	0.853	76%	0.761	S	S	*	*			trans	-141.3	130.3	165.1	-168.7	0	0	0	0	112.7
372	S	34.8	Very low	33.1	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	75%	0.749	S	S	*	*			trans	-73.9	173.6	164.5	53.7	0	0	0	0	111
373	S	34.8	Very low	33.2	Very low	94 Å²	94	134.1 Å²	134.1	66%	0.657	75%	0.749	S	S	*	*			cis	179.7	170.6	-11.4	44.9	0	0	0	0	110.9
374	Q	34.1	Very low	33.4	Very low	179 Å²	179	134.8 Å²	134.8	84%	0.836	75%	0.747	S	S	*	*			trans	79.9	156.8	160	-64.9	-179.4	-17.1	0	0	119.7
375	A	30.5	Very low	33.3	Very low	67 Å²	67	132.1 Å²	132.1	55%	0.554	74%	0.74	S	S	*	*			cis	178.5	165	-40.8	0	0	0	0	0	110.4
376	Y	32.3	Very low	33.1	Very low	194 Å²	194	134.9 Å²	134.9	76%	0.761	75%	0.746	S	S	*	*			trans	76.2	119.8	170.4	-51.4	-72.8	0	0	0	116.1
377	Q	30.8	Very low	32.6	Very low	162 Å²	162	133.3 Å²	133.3	76%	0.757	75%	0.75	S	S	*	*				69.1	136.6	65.2	-69.3	-173.2	-25.2	0	0	112.6
378	T	29.1	Very low	32.5	Very low	133 Å²	133	134.4 Å²	134.4	82%	0.816	76%	0.757	S	S	*	*			cis	-167.6	158.4	3.9	16	0	0	0	0	108.9
379	G	30.5	Very low	32.3	Very low	67 Å²	67	131.9 Å²	131.9	69%	0.691	76%	0.758	S	S	*	*			trans	164.1	105.6	165	0	0	0	0	0	116
380	F	32.8	Very low	32.4	Very low	196 Å²	196	128.2 Å²	128.2	86%	0.86	76%	0.755	S	S	*	*			trans	9.6	146.3	137.2	-70	-93.6	0	0	0	119.2
381	D	33.9	Very low	32.4	Very low	142 Å²	142	126.9 Å²	126.9	76%	0.759	75%	0.749	S	S	*	*			cis	-154	-177.4	38.5	-131.8	-44.9	0	0	0	115.7
382	S	34.5	Very low	32.4	Very low	85 Å²	85	130.7 Å²	130.7	59%	0.594	75%	0.75	S	S	*	*			trans	-99.3	171.4	-163.4	59.8	0	0	0	0	117.5
383	N	32.7	Very low	32.3	Very low	133 Å²	133	128.7 Å²	128.7	71%	0.711	75%	0.746	S	S	*	*			trans	102.6	127.8	142.5	-78.9	-16.6	0	0	0	123.9
384	Y	32.5	Very low	32.5	Very low	195 Å²	195	132.3 Å²	132.3	77%	0.765	75%	0.752	S	S	*	*			trans	81.1	107.4	137	-86.1	-120	0	0	0	123
385	C	30.2	Very low	32.5	Very low	95 Å²	95	129.2 Å²	129.2	64%	0.642	75%	0.746	S	S	*	*				62.2	118.7	115.3	-59.1	0	0	0	0	122.5
386	N	28.6	Very low	32.6	Very low	167 Å²	167	131.2 Å²	131.2	89%	0.893	76%	0.756	S	S	*	*			trans	55.2	117.9	136.7	-68.5	-6.3	0	0	0	121.2
387	G	29.9	Very low	32.7	Very low	82 Å²	82	126.8 Å²	126.8	85%	0.845	76%	0.759	S	S	*	*			trans	-166	77	164	0	0	0	0	0	112.7
388	V	31	Very low	32.8	Very low	132 Å²	132	127.2 Å²	127.2	80%	0.8	76%	0.761	S	S	*	*			trans	-92.8	138.2	177.3	-179.5	0	0	0	0	110.2
389	S	30.8	Very low	33.2	Very low	110 Å²	110	126.5 Å²	126.5	77%	0.769	76%	0.761	S	S	*	*				152.6	160.4	128.5	-71.8	0	0	0	0	116.2
390	S	34.7	Very low	33.2	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	76%	0.763	S	S	*	*			trans	88.2	135.7	159.7	-136.6	0	0	0	0	115.4
391	S	35.7	Very low	33.4	Very low	98 Å²	98	131.8 Å²	131.8	69%	0.685	77%	0.767	S	S	*	*			cis	-172.4	164.9	-0.2	37	0	0	0	0	110
392	K	36.6	Very low	33.3	Very low	202 Å²	202	130.6 Å²	130.6	88%	0.878	77%	0.77	S	S	*	*			cis	-165.9	161.4	-6.6	-113.6	169.1	-177.6	174.8	0	109.6
393	G	33.2	Very low	33.2	Very low	62 Å²	62	132.1 Å²	132.1	64%	0.639	78%	0.779	S	S	*	*			trans	124.4	134.5	144.5	0	0	0	0	0	115.2
394	H	37.5	Very low	33.7	Very low	170 Å²	170	131.8 Å²	131.8	79%	0.787	78%	0.784	S	S	*	*			cis	-153.4	126.9	3.7	-105	-82.7	0	0	0	108.7
395	T	35.4	Very low	33.8	Very low	115 Å²	115	128.2 Å²	128.2	71%	0.706	79%	0.785	S	S	*	*				42.2	138	111.7	63.7	0	0	0	0	117.8
396	S	33	Very low	33.9	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	79%	0.794	S	S	*	*			cis	170.2	141.5	-13.4	47.3	0	0	0	0	108.5
397	A	34.4	Very low	34.3	Very low	101 Å²	101	130.3 Å²	130.3	84%	0.835	79%	0.794	S	S	*	*			trans	177.1	141.2	141.7	0	0	0	0	0	114.6
398	H	32.9	Very low	34.3	Very low	170 Å²	170	131.3 Å²	131.3	79%	0.787	79%	0.788	S	S	*	*			trans	-54.8	152.3	-178.6	-57.8	-96.6	0	0	0	118.4
399	S	35.9	Very low	34.4	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	79%	0.788	S	S	*	*				-150.4	138.8	117.4	-167.3	0	0	0	0	111.8
400	H	32	Very low	34.6	Very low	158 Å²	158	131.1 Å²	131.1	73%	0.731	79%	0.79	S	S	*	*			trans	-86.6	149.5	170.7	-68.6	-107.9	0	0	0	110.1
401	K	35.9	Very low	34.2	Very low	215 Å²	215	134.4 Å²	134.4	94%	0.935	79%	0.793	S	S	*	*			trans	-156.1	134.8	144.1	-113.4	169.2	-172	-178.4	0	111.3
402	S	31.7	Very low	34.1	Very low	117 Å²	117	138.6 Å²	138.6	82%	0.818	81%	0.807	S	S	*	*			trans	-99.3	157.6	-177.3	42.9	0	0	0	0	112.1
403	C	32	Very low	33.8	Very low	118 Å²	118	132.5 Å²	132.5	80%	0.797	80%	0.801	S	S	*	*			trans	-65.2	174.6	179.3	-52.1	0	0	0	0	114.1
404	P	43.7	Very low	33.5	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	81%	0.806	S	S	*	*				-125.8	149.7	127.4	36.7	-30.4	0	0	0	112.9
405	P	35.4	Very low	33.3	Very low	120 Å²	120	135.3 Å²	135.3	78%	0.779	81%	0.811	S	S	*	*			trans	-112.2	143.2	176.6	38.1	-29.7	0	0	0	114.5
406	T	32.8	Very low	32.9	Very low	134 Å²	134	137 Å²	137	82%	0.822	82%	0.816	S	S	*	*			trans	-156.2	152.2	158.8	57.2	0	0	0	0	107.2
407	L	35.1	Very low	32.7	Very low	171 Å²	171	135.4 Å²	135.4	90%	0.895	82%	0.816	S	S	*	*			cis	-127	165.3	-1.8	-88.3	99.9	0	0	0	110.8
408	S	31.2	Very low	32.3	Very low	104 Å²	104	136.1 Å²	136.1	73%	0.727	81%	0.814	S	S	*	*			trans	-108.1	144	178.3	50.5	0	0	0	0	113.5
409	S	33.4	Very low	32.2	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	82%	0.821	S	S	*	*			trans	151.3	149.1	135.5	-68.9	0	0	0	0	113
410	P	35	Very low	31.9	Very low	125 Å²	125	137.4 Å²	137.4	81%	0.812	82%	0.817	S	S	*	*			cis	-134.3	168.7	-43.5	37.8	-21.9	0	0	0	113.3
411	E	25.1	Very low	31.6	Very low	176 Å²	176	139 Å²	139	82%	0.822	83%	0.825	S	S	*	*			trans	-70.3	151.1	175.1	-61.9	166.8	97.1	0	0	113.8
412	L	33.2	Very low	31.2	Very low	186 Å²	186	137.3 Å²	137.3	97%	0.974	82%	0.82	S	S	*	*			trans	-149	134.2	144	-89.9	-177.2	0	0	0	109.8
413	G	31	Very low	30.9	Very low	73 Å²	73	137.9 Å²	137.9	75%	0.753	82%	0.819	S	S	*	*			trans	112.6	51.5	158.4	0	0	0	0	0	118.5	L415	G413-L415 PolarHBondContact O-N 2.71Å
414	V	26.2	Very low	30.8	Very low	121 Å²	121	139 Å²	139	73%	0.733	82%	0.815	S	S	*	*			trans	-65.5	124.8	161.9	173.8	0	0	0	0	110.1
415	L	33.6	Very low	29.9	Very low	171 Å²	171	139.2 Å²	139.2	90%	0.895	81%	0.814	S	S	*	*			trans	-125.1	118.1	159.5	-81.8	176.4	0	0	0	110.4	G413	G413-L415 PolarHBondContact O-N 2.71Å
416	N	27.4	Very low	29.6	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	81%	0.81	S	S	*	*			trans	-64.6	129.1	172.9	-94.1	-30	0	0	0	110.9
417	G	29.8	Very low	29.5	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	81%	0.806	S	S	*	*			trans	-136.7	51.4	179.4	0	0	0	0	0	112.7	R419	G417-R419 PolarHBondContact O-N 2.84Å
418	S	24.5	Very low	29.1	Very low	116 Å²	116	137.9 Å²	137.9	81%	0.811	81%	0.806	S	S	*	*			trans	-68.4	95.2	-177.7	-50.6	0	0	0	0	112.4
419	R	31.8	Very low	29.1	Very low	244 Å²	244	138.1 Å²	138.1	92%	0.921	80%	0.803	S	S	*	*			trans	-156.5	116.5	167.2	-162.9	166.5	173.3	172.4	-5.3	115.5	G417	G417-R419 PolarHBondContact O-N 2.84Å
420	G	29.5	Very low	28.7	Very low	72 Å²	72	141.9 Å²	141.9	74%	0.742	81%	0.808	S	S	*	*			trans	82.7	108.2	139.4	0	0	0	0	0	118.4	Q422	G420-Q422 PolarHBondContact O-N 3.07Å
421	Q	24.7	Very low	28.7	Very low	193 Å²	193	143.6 Å²	143.6	90%	0.902	81%	0.807	S	S	*	*			trans	-57	128.5	154.3	-77.4	168.2	-43.5	0	0	110.4
422	Q	28.1	Very low	28.8	Very low	178 Å²	178	144.6 Å²	144.6	83%	0.832	81%	0.812	S	S	*	*			trans	-134.4	105	149	-85.2	-168.6	-26.4	0	0	109.2	G420 I424	G420-Q422 PolarHBondContact O-N 3.07Å; Q422-I424 PolarHBondContact O-N 2.92Å; Q422-I424 VanDerWaalsContact O-N 3.17Å
423	T	25.7	Very low	28.9	Very low	130 Å²	130	141.4 Å²	141.4	80%	0.798	80%	0.8	S	S	*	*			trans	-71.4	100.5	169.2	-14	0	0	0	0	108.1	V425	T423-V425 PolarHBondContact O-N 2.67Å
424	I	29.1	Very low	28.7	Very low	141 Å²	141	144.1 Å²	144.1	72%	0.723	80%	0.797	S	S	*	*			trans	-81.4	108.4	171.9	-63	178.2	0	0	0	107.8	Q422 S426	Q422-I424 PolarHBondContact O-N 2.92Å; Q422-I424 VanDerWaalsContact O-N 3.17Å; I424-S426 PolarHBondContact O-N 3.16Å
425	V	25.9	Very low	28.9	Very low	131 Å²	131	147.5 Å²	147.5	79%	0.794	80%	0.804	S	S	*	*			trans	-84.5	100.6	167.7	-172.9	0	0	0	0	107.1	T423	T423-V425 PolarHBondContact O-N 2.67Å
426	S	28.9	Very low	28.6	Very low	100 Å²	100	148 Å²	148	70%	0.699	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-84.9	117.1	166.9	-76.4	0	0	0	0	108.9	I424 E428	I424-S426 PolarHBondContact O-N 3.16Å; S426-E428 PolarHBondContact O-N 3.16Å
427	S	29.3	Very low	28.7	Very low	105 Å²	105	146.3 Å²	146.3	73%	0.734	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-65.1	120.8	165.7	-69.3	0	0	0	0	109.6	V429	S427-V429 PolarHBondContact O-N 2.98Å
428	E	27.3	Very low	28.8	Very low	191 Å²	191	149.5 Å²	149.5	89%	0.893	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-62.9	126.3	159.4	-67.9	175.4	136	0	0	108.3	S426	S426-E428 PolarHBondContact O-N 3.16Å
429	V	30.7	Very low	28.9	Very low	109 Å²	109	147.7 Å²	147.7	66%	0.661	80%	0.799	S	S	*	*			trans	-120.1	94.7	166.4	-174.6	0	0	0	0	105.8	S427 M431	S427-V429 PolarHBondContact O-N 2.98Å; V429-M431 HydrophobicContact CG1-CG 4.34Å; V429-M431 PolarHBondContact O-N 3.14Å
430	E	24.9	Very low	28.8	Very low	192 Å²	192	141.7 Å²	141.7	90%	0.897	79%	0.789	S	S	*	*			trans	-60.5	125.4	164.3	-65.7	-176.3	130.4	0	0	107.9
431	M	34.9	Very low	28.8	Very low	161 Å²	161	143.7 Å²	143.7	79%	0.793	79%	0.792	S	S	*	*			trans	-121.4	121	165.1	-86.5	-171	-79.9	0	0	107.7	V429	V429-M431 HydrophobicContact CG1-CG 4.34Å; V429-M431 PolarHBondContact O-N 3.14Å
432	E	28.5	Very low	28.9	Very low	197 Å²	197	143.4 Å²	143.4	92%	0.921	79%	0.791	S	S	*	*			trans	-58.3	144.3	-178.1	-62.4	-179.9	131.3	0	0	111.2	D434	E432-D434 PolarHBondContact O-N 3.17Å
433	V	34.3	Very low	28.8	Very low	119 Å²	119	140.3 Å²	140.3	72%	0.721	79%	0.789	S	S	*	*			trans	-92.1	101.3	-178.1	-175.5	0	0	0	0	109	H435	V433-H435 PolarHBondContact O-N 2.79Å; V433-H435 VanDerWaalsContact O-N 3.16Å
434	D	27.6	Very low	28.9	Very low	131 Å²	131	139.7 Å²	139.7	70%	0.701	79%	0.789	S	S	*	*			trans	-55.7	119.5	168.1	-84.9	-38.9	0	0	0	110.3	E432 F436	E432-D434 PolarHBondContact O-N 3.17Å; D434-F436 HydrophobicContact CB-CD2 4.2Å; D434-F436 HydrophobicContact CB-CE2 3.87Å; D434-F436 PolarHBondContact O-N 2.96Å
435	H	29.2	Very low	29	Very low	191 Å²	191	138.8 Å²	138.8	88%	0.884	80%	0.796	S	S	*	*			trans	-69.7	88.4	174.7	-87.4	-80.6	0	0	0	110.9	V433 S437	V433-H435 PolarHBondContact O-N 2.79Å; V433-H435 VanDerWaalsContact O-N 3.16Å; H435-S437 PolarHBondContact O-N 3.32Å; H435-S437 VanDerWaalsContact O-N 3.15Å
436	F	28.6	Very low	29.2	Very low	181 Å²	181	140.5 Å²	140.5	79%	0.794	80%	0.801	S	S	*	*			trans	-75.7	97.2	161.6	-75.6	-83	0	0	0	109.6	D434 N438	D434-F436 HydrophobicContact CB-CD2 4.2Å; D434-F436 HydrophobicContact CB-CE2 3.87Å; D434-F436 PolarHBondContact O-N 2.96Å; F436-N438 PolarHBondContact O-N 3.46Å
437	S	29.6	Very low	29	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	80%	0.798	S	S	*	*			trans	-66	111.1	168.6	-169.4	0	0	0	0	109.5	H435 G439	H435-S437 PolarHBondContact O-N 3.32Å; H435-S437 VanDerWaalsContact O-N 3.15Å; S437-G439 PolarHBondContact O-N 3.05Å
438	N	32.4	Very low	28.9	Very low	142 Å²	142	143.7 Å²	143.7	76%	0.759	81%	0.807	S	S	*	*			trans	-73.2	111.5	165.9	-93	-8.4	0	0	0	107.4	F436 V440	F436-N438 PolarHBondContact O-N 3.46Å; N438-V440 PolarHBondContact O-N 2.93Å
439	G	26	Very low	29.2	Very low	78 Å²	78	143.4 Å²	143.4	80%	0.804	81%	0.811	S	S	*	*			trans	-63.4	96.4	169.1	0	0	0	0	0	110.2	S437	S437-G439 PolarHBondContact O-N 3.05Å
440	V	30	Very low	29.3	Very low	117 Å²	117	146 Å²	146	71%	0.709	82%	0.82	S	S	*	*			trans	-89.7	117	165.8	-174.4	0	0	0	0	106.5	N438 E442	N438-V440 PolarHBondContact O-N 2.93Å; V440-E442 PolarHBondContact O-N 2.98Å
441	S	28.1	Very low	29.3	Very low	115 Å²	115	140 Å²	140	80%	0.804	81%	0.811	S	S	*	*			trans	-68	103.6	169	-58.8	0	0	0	0	108.8	S443	S441-S443 PolarHBondContact O-N 2.9Å
442	E	27.1	Very low	29.3	Very low	187 Å²	187	137.4 Å²	137.4	87%	0.874	81%	0.808	S	S	*	*			trans	-66.2	118.6	173.1	-68.9	-168.2	155.3	0	0	110.5	V440	V440-E442 PolarHBondContact O-N 2.98Å
443	S	26.6	Very low	29.3	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	80%	0.798	S	S	*	*			trans	-145.1	56.3	169.8	-76.5	0	0	0	0	110.3	S441	S441-S443 PolarHBondContact O-N 2.9Å
444	S	28.3	Very low	29.2	Very low	116 Å²	116	132.9 Å²	132.9	81%	0.811	80%	0.799	S	S	*	*			trans	-157.4	69.8	170	-78.7	0	0	0	0	111.1	N446	S444-N446 PolarHBondContact O-N 3.19Å
445	S	30.1	Very low	29.3	Very low	122 Å²	122	135.8 Å²	135.8	85%	0.853	81%	0.808	S	S	*	*			trans	-81.1	100.4	170.4	64.3	0	0	0	0	110.6	G447	S445-G447 PolarHBondContact O-N 3.31Å
446	N	30.5	Very low	29.3	Very low	168 Å²	168	130.3 Å²	130.3	90%	0.898	80%	0.803	S	S	*	*			trans	-71	106.2	165.1	-82.9	-16.2	0	0	0	109	S444	S444-N446 PolarHBondContact O-N 3.19Å
447	G	24.8	Very low	29.3	Very low	63 Å²	63	128.3 Å²	128.3	65%	0.649	81%	0.805	S	S	*	*			trans	-74.8	130.5	174	0	0	0	0	0	111.4	S445	S445-G447 PolarHBondContact O-N 3.31Å
448	F	27.8	Very low	29.4	Very low	209 Å²	209	132.3 Å²	132.3	92%	0.917	81%	0.811	S	S	*	*			trans	179.8	103.8	143.6	-96	-61.9	0	0	0	109.7
449	L	33.2	Very low	29.2	Very low	185 Å²	185	134 Å²	134	97%	0.969	82%	0.815	S	S	*	*			trans	-153.6	156	149.4	-98.9	-177.4	0	0	0	109.2
450	N	32.5	Very low	29.5	Very low	162 Å²	162	139.4 Å²	139.4	87%	0.866	82%	0.819	S	S	*	*			trans	-130.5	130.8	-150.1	-174.1	17.8	0	0	0	113.5
451	G	26.1	Very low	29.5	Very low	68 Å²	68	141.4 Å²	141.4	70%	0.701	83%	0.826	S	S	*	*			trans	86	108.7	142.3	0	0	0	0	0	121.3
452	S	33.4	Very low	29.6	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	83%	0.825	S	S	*	*			trans	153.3	102.5	137.7	176.5	0	0	0	0	110.3
453	S	29.2	Very low	29.7	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	83%	0.828	S	S	*	*				68.6	131.2	89	100.5	0	0	0	0	113.8
454	T	31.6	Very low	30.1	Very low	119 Å²	119	139.4 Å²	139.4	73%	0.73	82%	0.823	S	S	*	*			cis	-154.6	164.1	8.7	48.9	0	0	0	0	112.8
455	H	30.1	Very low	30.1	Very low	193 Å²	193	141.6 Å²	141.6	89%	0.894	83%	0.825	S	S	*	*			trans	67.1	135.6	153.6	-93	-76.6	0	0	0	122.2
456	G	30.4	Very low	30.4	Very low	75 Å²	75	144.2 Å²	144.2	77%	0.773	83%	0.826	S	S	*	*			trans	147.2	79.6	159.8	0	0	0	0	0	114.5
457	T	27.6	Very low	30.3	Very low	139 Å²	139	145.1 Å²	145.1	85%	0.853	83%	0.825	S	S	*	*			trans	-88.7	118.1	170.1	-38.8	0	0	0	0	109.1
458	E	31.5	Very low	30.8	Very low	200 Å²	200	147.7 Å²	147.7	94%	0.935	83%	0.828	S	S	*	*			trans	-164.3	161.3	151.4	-114.4	156.1	-146.5	0	0	110.9
459	Q	28.6	Very low	30.9	Very low	178 Å²	178	143.9 Å²	143.9	83%	0.832	82%	0.817	S	S	*	*			trans	-129.9	116.1	-159.5	172.5	-176.6	-1.4	0	0	108.9
460	E	33	Very low	30.7	Very low	191 Å²	191	140.4 Å²	140.4	89%	0.893	81%	0.808	S	S	*	*			trans	-135.6	138.7	167.6	-72.4	-164	141.2	0	0	110.6
461	D	28.7	Very low	30.6	Very low	159 Å²	159	137.3 Å²	137.3	85%	0.85	80%	0.795	S	S	*	*			trans	-73	141.1	179.2	-66.9	-55	0	0	0	111.5
462	C	30.7	Very low	31.4	Very low	116 Å²	116	143 Å²	143	78%	0.784	80%	0.803	S	S	*	*			trans	-141.6	107.2	156.6	50.5	0	0	0	0	110.9	A464	C462-A464 PolarHBondContact O-N 3Å
463	D	28	Very low	32.1	Very low	176 Å²	176	143 Å²	143	94%	0.941	80%	0.804	S	S	*	*			trans	-55.7	117.5	160.8	-82	-49	0	0	0	108.7
464	A	35.7	Very low	33.7	Very low	82 Å²	82	147.2 Å²	147.2	68%	0.678	81%	0.809	S	S	*	*			trans	-133	102.9	168.5	0	0	0	0	0	107.7	C462 M466	C462-A464 PolarHBondContact O-N 3Å; A464-M466 PolarHBondContact O-N 3.16Å
465	D	29.3	Very low	35.9	Very low	162 Å²	162	149.9 Å²	149.9	87%	0.866	81%	0.806	S	S	*	*			trans	-51.9	112.2	170.4	-77.6	-60.6	0	0	0	109.3	E467	D465-E467 VanDerWaalsContact C-N 3.25Å; D465-E467 PolarHBondContact O-N 2.8Å
466	M	35	Very low	38.4	Very low	176 Å²	176	146.5 Å²	146.5	87%	0.867	79%	0.79	S	S	*	*			trans	-70.7	89.4	168.2	-75.4	-106.5	-81.2	0	0	107.6	A464 V468	A464-M466 PolarHBondContact O-N 3.16Å; M466-V468 VanDerWaalsContact C-N 3.29Å; M466-V468 PolarHBondContact O-N 2.67Å
467	E	30.1	Very low	40.9	Very low	188 Å²	188	145.1 Å²	145.1	88%	0.879	77%	0.765	S	S	*	*			trans	-55.5	97.8	163.8	-76.3	-163.6	143.3	0	0	108.3	D465 D469	D465-E467 VanDerWaalsContact C-N 3.25Å; D465-E467 PolarHBondContact O-N 2.8Å; E467-D469 PolarHBondContact O-N 2.81Å
468	V	34.6	Very low	43.5	Very low	117 Å²	117	138.6 Å²	138.6	71%	0.709	73%	0.725	S	S	*	*			trans	-65.3	101.1	168.7	173.8	0	0	0	0	106.2	M466 S470	M466-V468 VanDerWaalsContact C-N 3.29Å; M466-V468 PolarHBondContact O-N 2.67Å; V468-S470 VanDerWaalsContact C-N 3.27Å; V468-S470 WeakPolarHBondContact O-CB 3.16Å; V468-S470 PolarHBondContact O-N 3.16Å; V468-S470 PolarHBondContact O-OG 2.97Å
469	D	30.1	Very low	45.7	Very low	128 Å²	128	131.5 Å²	131.5	68%	0.684	71%	0.705	S	S	*	*			trans	-56.4	95.2	172.8	-178.1	0.7	0	0	0	108.9	E467 T471	E467-D469 PolarHBondContact O-N 2.81Å; D469-T471 PolarHBondContact O-N 3.09Å; D469-T471 WeakPolarHBondContact OD1-CB 3.31Å; D469-T471 WeakPolarHBondContact OD1-CG2 3.38Å; D469-T471 PolarHBondContact OD1-N 3.32Å; D469-T471 PolarHBondContact OD1-OG1 3.11Å
470	S	27.7	Very low	48.2	Very low	112 Å²	112	124.8 Å²	124.8	78%	0.783	68%	0.684	S	S	*	*			trans	-93.1	34.6	-171.6	21.1	0	0	0	0	110.1	V468	V468-S470 VanDerWaalsContact C-N 3.27Å; V468-S470 WeakPolarHBondContact O-CB 3.16Å; V468-S470 PolarHBondContact O-N 3.16Å; V468-S470 PolarHBondContact O-OG 2.97Å
471	T	32	Very low	50.7	Low	98 Å²	98	116.8 Å²	116.8	60%	0.601	65%	0.65	S	S	*	*			trans	-107.2	43	178.3	71.5	0	0	0	0	113.5	D469 S473	D469-T471 PolarHBondContact O-N 3.09Å; D469-T471 WeakPolarHBondContact OD1-CB 3.31Å; D469-T471 WeakPolarHBondContact OD1-CG2 3.38Å; D469-T471 PolarHBondContact OD1-N 3.32Å; D469-T471 PolarHBondContact OD1-OG1 3.11Å; T471-S473 PolarHBondContact O-N 3.45Å
472	Q	42	Very low	53.5	Low	187 Å²	187	115.9 Å²	115.9	87%	0.874	64%	0.64	S	S	*	*			trans	-60.9	82.6	151.4	-78.7	-165	5.7	0	0	109.5	K474	Q472-K474 PolarHBondContact O-N 3.25Å
473	S	48.6	Very low	56.4	Low	106 Å²	106	112.7 Å²	112.7	74%	0.741	62%	0.622	S	S	*	*			trans	-58.3	103.8	171.3	-68	0	0	0	0	107.4	T471 R475	T471-S473 PolarHBondContact O-N 3.45Å; S473-R475 PolarHBondContact O-N 3.48Å
474	K	63.3	Low	59.4	Low	190 Å²	190	104.3 Å²	104.3	83%	0.826	58%	0.577	S	S	*	*			trans	-48.1	119.8	-179.6	-79.1	-175.8	174.4	-180	0	108.6	Q472 Q476	Q472-K474 PolarHBondContact O-N 3.25Å; K474-Q476 PolarHBondContact O-N 3.03Å
475	R	77.5	Confident	62.1	Low	175 Å²	175	103 Å²	103	66%	0.66	56%	0.558	S	S	*	*			trans	-58.4	126.7	176	-68.4	-174.6	177.9	175.6	-0.3	108.1	S473 W529	S473-R475 PolarHBondContact O-N 3.48Å; R475-W529 HydrophobicContact CB-CD2 4.01Å; R475-W529 HydrophobicContact CB-CE3 3.75Å; R475-W529 HydrophobicContact CB-CH2 3.65Å; R475-W529 HydrophobicContact CB-CZ2 3.86Å; R475-W529 HydrophobicContact CB-CZ3 3.57Å; R475-W529 WeakPolarHBondContact O-CZ3 3.33Å
476	Q	81.5	Confident	65.1	Low	121 Å²	121	100.3 Å²	100.3	57%	0.565	54%	0.541	S	S	*	.			trans	-111	137.2	-177.4	-75.5	176	-11.1	0	0	109.9	K474 C478 G479	K474-Q476 PolarHBondContact O-N 3.03Å; Q476-C478 PolarHBondContact O-N 3.39Å; Q476-G479 PolarHBondContact O-N 3.26Å
477	L	83.5	Confident	68	Low	46 Å²	46	95.2 Å²	95.2	24%	0.241	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-46.5	126.5	170.9	-89.9	161.7	0	0	0	110.6	V335 G479 G480 L523 P528	V335-L477 HydrophobicContact CG1-CD2 3.75Å; L477-G479 PolarHBondContact O-N 2.87Å; L477-G479 VanDerWaalsContact O-N 3.1Å; L477-G480 PolarHBondContact O-N 3.12Å; L477-L523 HydrophobicContact CD2-CD2 4.25Å; L477-P528 HydrophobicContact CD1-CG 4.23Å; L477-P528 HydrophobicContact CD2-CG 3.72Å; L477-P528 HydrophobicContact CG-CG 3.89Å
478	C	82	Confident	71	Confident	2 Å²	2	86.4 Å²	86.4	1%	0.014	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	52.4	29.7	-178.4	-53.7	0	0	0	0	114.3	M334 V335 V342 Q476 G480 A484 I485 M488	M334-C478 PolarHBondContact O-SG 2.86Å; V335-C478 PolarHBondContact O-N 3.46Å; V335-C478 VanDerWaalsContact O-N 3.12Å; V342-C478 HydrophobicContact CB-CB 4.4Å; V342-C478 HydrophobicContact CG1-CB 4.29Å; Q476-C478 PolarHBondContact O-N 3.39Å; C478-G480 PolarHBondContact O-N 3.01Å; C478-A484 HydrophobicContact CB-CB 3.63Å; C478-I485 HydrophobicContact CB-CG1 3.94Å; C478-M488 PolarHBondContact SG-SD 3.35Å
479	G	79	Confident	73.9	Confident	51 Å²	51	84.3 Å²	84.3	53%	0.526	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	68.6	17.2	-176	0	0	0	0	0	114.8	Q476 L477 S481	Q476-G479 PolarHBondContact O-N 3.26Å; L477-G479 PolarHBondContact O-N 2.87Å; L477-G479 VanDerWaalsContact O-N 3.1Å; G479-S481 VanDerWaalsContact C-N 3.34Å; G479-S481 PolarHBondContact O-N 3.06Å
480	G	80.9	Confident	77	Confident	38 Å²	38	81.8 Å²	81.8	39%	0.392	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	83.1	-0.8	176.4	0	0	0	0	0	115.8	L477 C478	L477-G480 PolarHBondContact O-N 3.12Å; C478-G480 PolarHBondContact O-N 3.01Å
481	S	85.3	Confident	80.3	Confident	23 Å²	23	76.8 Å²	76.8	16%	0.161	40%	0.403	C	S	.	.			trans	-81.4	123.1	178.2	174.6	0	0	0	0	111.5	L345 G479 A483 A484 I485	L345-S481 VanDerWaalsContact O-CB 3.26Å; L345-S481 WeakPolarHBondContact O-CB 3.23Å; L345-S481 PolarHBondContact O-OG 3.01Å; G479-S481 VanDerWaalsContact C-N 3.34Å; G479-S481 PolarHBondContact O-N 3.06Å; S481-A483 VanDerWaalsContact C-N 3.31Å; S481-A483 PolarHBondContact O-N 3.4Å; S481-A484 WeakPolarHBondContact O-CB 3.28Å; S481-A484 PolarHBondContact O-N 3.15Å; S481-A484 VanDerWaalsContact O-N 3.11Å; S481-A484 PolarHBondContact OG-N 3.42Å; S481-I485 WeakPolarHBondContact O-CG1 3.49Å; S481-I485 PolarHBondContact O-N 2.95Å
482	Q	87.7	Confident	83.4	Confident	140 Å²	140	72.5 Å²	72.5	65%	0.654	38%	0.378	S	S	*	.	H	α-helix	trans	-59.7	-41.9	176.1	-177.9	179.4	-28.9	0	0	111.8	A484 I485 E486	Q482-A484 PolarHBondContact O-N 2.86Å; Q482-I485 PolarHBondContact O-N 2.79Å; Q482-I485 VanDerWaalsContact O-N 3.16Å; Q482-E486 HydrophobicContact CG-CG 4.5Å; Q482-E486 WeakPolarHBondContact CG-OE1 3.31Å; Q482-E486 PolarHBondContact NE2-OE1 3.13Å; Q482-E486 WeakPolarHBondContact O-CG 3.26Å; Q482-E486 PolarHBondContact O-N 3.06Å
483	A	91.4	Very high	86.1	Confident	48 Å²	48	71.4 Å²	71.4	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-35.4	176.4	0	0	0	0	0	111.9	L345 S481 R487	L345-A483 HydrophobicContact CB-CB 4.48Å; L345-A483 HydrophobicContact CD1-CB 4.43Å; S481-A483 VanDerWaalsContact C-N 3.31Å; S481-A483 PolarHBondContact O-N 3.4Å; A483-R487 WeakPolarHBondContact O-CB 3.32Å; A483-R487 PolarHBondContact O-N 2.8Å
484	A	91	Very high	88.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-69.4	-40.3	175.4	0	0	0	0	0	112.3	V342 L345 C478 S481 Q482 R487 M488	V342-A484 HydrophobicContact CB-CB 3.86Å; V342-A484 HydrophobicContact CG1-CB 3.97Å; L345-A484 HydrophobicContact CB-CB 4.05Å; C478-A484 HydrophobicContact CB-CB 3.63Å; S481-A484 WeakPolarHBondContact O-CB 3.28Å; S481-A484 PolarHBondContact O-N 3.15Å; S481-A484 VanDerWaalsContact O-N 3.11Å; S481-A484 PolarHBondContact OG-N 3.42Å; Q482-A484 PolarHBondContact O-N 2.86Å; A484-R487 PolarHBondContact O-N 2.9Å; A484-M488 WeakPolarHBondContact O-CB 3.43Å; A484-M488 PolarHBondContact O-N 3.4Å
485	I	91.6	Very high	90	Very high	55 Å²	55	61.4 Å²	61.4	28%	0.282	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-44.3	173.6	-65.6	168.7	0	0	0	110.7	C478 S481 Q482 M488 I489	C478-I485 HydrophobicContact CB-CG1 3.94Å; S481-I485 WeakPolarHBondContact O-CG1 3.49Å; S481-I485 PolarHBondContact O-N 2.95Å; Q482-I485 PolarHBondContact O-N 2.79Å; Q482-I485 VanDerWaalsContact O-N 3.16Å; I485-M488 HydrophobicContact CG2-CE 4.28Å; I485-M488 PolarHBondContact O-N 2.9Å; I485-I489 HydrophobicContact CG2-CD1 3.92Å; I485-I489 WeakPolarHBondContact O-CG1 3.46Å; I485-I489 PolarHBondContact O-N 2.97Å
486	E	93.1	Very high	90.9	Very high	106 Å²	106	56.4 Å²	56.4	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-43	176.2	-73.2	173.2	-164.8	0	0	111.6	Q482 I489 Q490	Q482-E486 HydrophobicContact CG-CG 4.5Å; Q482-E486 WeakPolarHBondContact CG-OE1 3.31Å; Q482-E486 PolarHBondContact NE2-OE1 3.13Å; Q482-E486 WeakPolarHBondContact O-CG 3.26Å; Q482-E486 PolarHBondContact O-N 3.06Å; E486-I489 PolarHBondContact O-N 3.04Å; E486-Q490 WeakPolarHBondContact O-CB 3.29Å; E486-Q490 PolarHBondContact O-N 2.84Å
487	R	94.4	Very high	91.6	Very high	68 Å²	68	53.9 Å²	53.9	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-42.1	175	-175.7	59	-174.8	136.9	6	112.2	M334 E341 L345 A483 A484 Q490 F491 E494	M334-R487 HydrophobicContact CE-CG 4.01Å; E341-R487 IonicContact OE1-CZ 3.02Å; E341-R487 IonicContact OE1-NE 2.71Å; E341-R487 IonicContact OE1-NH2 2.77Å; E341-R487 PolarHBondContact OE1-NH2 2.92Å; E341-R487 IonicContact OE2-CZ 3.37Å; E341-R487 IonicContact OE2-NE 3.78Å; E341-R487 PolarHBondContact OE2-NE 3.17Å; E341-R487 IonicContact OE2-NH2 3.23Å; E341-R487 PolarHBondContact OE2-NH2 3.15Å; L345-R487 HydrophobicContact CD1-CB 4.06Å; L345-R487 HydrophobicContact CD1-CG 4.46Å; A483-R487 WeakPolarHBondContact O-CB 3.32Å; A483-R487 PolarHBondContact O-N 2.8Å; A484-R487 PolarHBondContact O-N 2.9Å; R487-Q490 PolarHBondContact O-N 3.43Å; R487-F491 WeakPolarHBondContact O-CB 3.39Å; R487-F491 PolarHBondContact O-N 3.38Å; R487-E494 IonicContact NH1-OE1 2.74Å; R487-E494 PolarHBondContact NH1-OE1 3.42Å; R487-E494 IonicContact NH1-OE2 3.42Å
488	M	94.6	Very high	92.2	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.02	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-44.2	174.2	177.4	-158.6	65.2	0	0	112.2	F331 M334 V335 C478 A484 I485 Q490 F491 G492 L523	F331-M488 HydrophobicContact CD2-CG 4.16Å; F331-M488 HydrophobicContact CE2-CG 3.77Å; F331-M488 HydrophobicContact CZ-CG 4.41Å; M334-M488 HydrophobicContact CB-CB 4.35Å; M334-M488 HydrophobicContact CB-CG 4.14Å; M334-M488 HydrophobicContact CE-CB 4.22Å; V335-M488 HydrophobicContact CB-SD 4.27Å; V335-M488 HydrophobicContact CG2-CG 4.44Å; V335-M488 HydrophobicContact CG2-SD 3.5Å; V335-M488 WeakPolarHBondContact CG2-SD 3.27Å; C478-M488 PolarHBondContact SG-SD 3.35Å; A484-M488 WeakPolarHBondContact O-CB 3.43Å; A484-M488 PolarHBondContact O-N 3.4Å; I485-M488 HydrophobicContact CG2-CE 4.28Å; I485-M488 PolarHBondContact O-N 2.9Å; M488-Q490 VanDerWaalsContact C-N 3.34Å; M488-Q490 PolarHBondContact O-N 3.19Å; M488-F491 PolarHBondContact O-N 3.18Å; M488-G492 PolarHBondContact O-N 3.44Å; M488-L523 HydrophobicContact CE-CD1 4.25Å; M488-L523 HydrophobicContact CE-CD2 3.59Å; M488-L523 HydrophobicContact SD-CD2 3.97Å
489	I	94.4	Very high	92.9	Very high	72 Å²	72	55.3 Å²	55.3	37%	0.369	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-42.6	177	-70.3	167.4	0	0	0	110.7	I485 E486 G492 R493	I485-I489 HydrophobicContact CG2-CD1 3.92Å; I485-I489 WeakPolarHBondContact O-CG1 3.46Å; I485-I489 PolarHBondContact O-N 2.97Å; E486-I489 PolarHBondContact O-N 3.04Å; I489-G492 PolarHBondContact O-N 2.84Å; I489-R493 PolarHBondContact O-N 2.92Å
490	Q	96.3	Very high	93.6	Very high	75 Å²	75	56.3 Å²	56.3	35%	0.35	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-44.6	177.6	179.4	48.3	40.7	0	0	111.7	E486 R487 M488 G492 R493 E494	E486-Q490 WeakPolarHBondContact O-CB 3.29Å; E486-Q490 PolarHBondContact O-N 2.84Å; R487-Q490 PolarHBondContact O-N 3.43Å; M488-Q490 VanDerWaalsContact C-N 3.34Å; M488-Q490 PolarHBondContact O-N 3.19Å; Q490-G492 VanDerWaalsContact C-N 3.32Å; Q490-G492 PolarHBondContact O-N 3.11Å; Q490-R493 WeakPolarHBondContact O-CB 3.27Å; Q490-R493 PolarHBondContact O-N 3.31Å; Q490-R493 VanDerWaalsContact O-N 3.13Å; Q490-E494 WeakPolarHBondContact CG-OE1 3.42Å; Q490-E494 PolarHBondContact NE2-OE1 2.82Å; Q490-E494 PolarHBondContact O-N 2.97Å; Q490-E494 VanDerWaalsContact O-N 3.14Å
491	F	97.1	Very high	94.3	Very high	7 Å²	7	58.5 Å²	58.5	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-39.6	172.7	-173.2	-78.6	0	0	0	112.3	K327 Q330 F331 M334 R487 M488 R493 E494 L495	K327-F491 HydrophobicContact CB-CZ 4.25Å; K327-F491 HydrophobicContact CD-CE2 3.98Å; K327-F491 HydrophobicContact CD-CZ 3.52Å; K327-F491 WeakPolarHBondContact O-CE1 3.37Å; Q330-F491 HydrophobicContact CB-CE1 4.42Å; Q330-F491 HydrophobicContact CB-CZ 3.86Å; Q330-F491 HydrophobicContact CG-CE2 4.12Å; Q330-F491 HydrophobicContact CG-CZ 3.81Å; Q330-F491 VanDerWaalsContact OE1-CE2 3.3Å; Q330-F491 VanDerWaalsContact OE1-CZ 3.32Å; F331-F491 HydrophobicContact CB-CD1 4.03Å; F331-F491 HydrophobicContact CB-CE1 3.87Å; F331-F491 HydrophobicContact CD2-CD1 4.12Å; M334-F491 HydrophobicContact CE-CB 3.91Å; M334-F491 HydrophobicContact CE-CD2 4.38Å; M334-F491 HydrophobicContact CE-CG 4.2Å; M334-F491 HydrophobicContact SD-CB 3.97Å; M334-F491 HydrophobicContact SD-CD1 3.94Å; M334-F491 HydrophobicContact SD-CD2 3.87Å; M334-F491 HydrophobicContact SD-CE1 4.38Å; M334-F491 HydrophobicContact SD-CE2 4.3Å; M334-F491 HydrophobicContact SD-CG 3.66Å; R487-F491 WeakPolarHBondContact O-CB 3.39Å; R487-F491 PolarHBondContact O-N 3.38Å; M488-F491 PolarHBondContact O-N 3.18Å; F491-R493 VanDerWaalsContact C-N 3.28Å; F491-R493 PolarHBondContact O-N 3.39Å; F491-E494 WeakPolarHBondContact O-CB 3.44Å; F491-E494 PolarHBondContact O-N 2.79Å; F491-L495 HydrophobicContact CE1-CD2 4.48Å; F491-L495 WeakPolarHBondContact O-CB 3.3Å; F491-L495 PolarHBondContact O-N 2.83Å
492	G	96.9	Very high	94.8	Very high	9 Å²	9	58 Å²	58	9%	0.093	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-36.6	174.8	0	0	0	0	0	113.1	M488 I489 Q490 L495 Q496 F520	M488-G492 PolarHBondContact O-N 3.44Å; I489-G492 PolarHBondContact O-N 2.84Å; Q490-G492 VanDerWaalsContact C-N 3.32Å; Q490-G492 PolarHBondContact O-N 3.11Å; G492-L495 PolarHBondContact O-N 3.04Å; G492-Q496 PolarHBondContact O-N 2.79Å; G492-F520 WeakPolarHBondContact O-CZ 3.29Å
493	R	97.3	Very high	95.1	Very high	164 Å²	164	58.1 Å²	58.1	62%	0.619	28%	0.28	S	S	*	.	H	α-helix	trans	-68.6	-41.4	174.2	-65.5	169.2	176.9	173.1	-2.3	112.1	I489 Q490 F491 L495 Q496 S497	I489-R493 PolarHBondContact O-N 2.92Å; Q490-R493 WeakPolarHBondContact O-CB 3.27Å; Q490-R493 PolarHBondContact O-N 3.31Å; Q490-R493 VanDerWaalsContact O-N 3.13Å; F491-R493 VanDerWaalsContact C-N 3.28Å; F491-R493 PolarHBondContact O-N 3.39Å; R493-L495 VanDerWaalsContact C-N 3.33Å; R493-Q496 PolarHBondContact O-N 2.99Å; R493-S497 PolarHBondContact O-N 3.37Å
494	E	97.4	Very high	95.2	Very high	82 Å²	82	64.1 Å²	64.1	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-43.3	174.6	-68.5	160.7	-152.6	0	0	110.9	R487 Q490 F491 S497 M498	R487-E494 IonicContact NH1-OE1 2.74Å; R487-E494 PolarHBondContact NH1-OE1 3.42Å; R487-E494 IonicContact NH1-OE2 3.42Å; Q490-E494 WeakPolarHBondContact CG-OE1 3.42Å; Q490-E494 PolarHBondContact NE2-OE1 2.82Å; Q490-E494 PolarHBondContact O-N 2.97Å; Q490-E494 VanDerWaalsContact O-N 3.14Å; F491-E494 WeakPolarHBondContact O-CB 3.44Å; F491-E494 PolarHBondContact O-N 2.79Å; E494-S497 WeakPolarHBondContact O-CB 3.42Å; E494-S497 PolarHBondContact O-N 2.81Å; E494-M498 PolarHBondContact O-N 2.84Å
495	L	96.5	Very high	95.4	Very high	4 Å²	4	70.3 Å²	70.3	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-39.2	177.4	-175.6	62.2	0	0	0	113.1	F324 K327 V328 F331 F491 G492 R493 M498 S499 L516 F520	F324-L495 HydrophobicContact CD2-CD1 3.83Å; F324-L495 HydrophobicContact CE2-CD1 3.59Å; F324-L495 HydrophobicContact CE2-CG 4.24Å; F324-L495 HydrophobicContact CZ-CD1 4.41Å; K327-L495 HydrophobicContact CB-CD1 3.81Å; V328-L495 HydrophobicContact CB-CD2 4.48Å; V328-L495 HydrophobicContact CG2-CD1 4.06Å; V328-L495 HydrophobicContact CG2-CD2 4.04Å; V328-L495 HydrophobicContact CG2-CG 4.46Å; F331-L495 HydrophobicContact CB-CD2 3.98Å; F331-L495 HydrophobicContact CG-CD2 4.4Å; F491-L495 HydrophobicContact CE1-CD2 4.48Å; F491-L495 WeakPolarHBondContact O-CB 3.3Å; F491-L495 PolarHBondContact O-N 2.83Å; G492-L495 PolarHBondContact O-N 3.04Å; R493-L495 VanDerWaalsContact C-N 3.33Å; L495-M498 PolarHBondContact O-N 2.81Å; L495-S499 PolarHBondContact O-N 3.11Å; L495-L516 HydrophobicContact CD2-CD1 3.71Å; L495-L516 HydrophobicContact CG-CD1 3.69Å; L495-F520 HydrophobicContact CD2-CE1 4.14Å; L495-F520 HydrophobicContact CD2-CZ 4.4Å
496	Q	96.5	Very high	95.4	Very high	70 Å²	70	74.2 Å²	74.2	33%	0.327	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-45.6	172.1	176.8	63	27.5	0	0	111.1	G492 R493 M498 S499 E500 F520	G492-Q496 PolarHBondContact O-N 2.79Å; R493-Q496 PolarHBondContact O-N 2.99Å; Q496-M498 VanDerWaalsContact C-N 3.34Å; Q496-M498 PolarHBondContact O-N 2.89Å; Q496-S499 WeakPolarHBondContact O-CB 3.49Å; Q496-S499 PolarHBondContact O-N 3.4Å; Q496-E500 PolarHBondContact NE2-OE1 2.81Å; Q496-E500 PolarHBondContact O-N 3.23Å; Q496-F520 HydrophobicContact CB-CE2 4.32Å; Q496-F520 HydrophobicContact CB-CZ 4.45Å
497	S	96.9	Very high	95.3	Very high	68 Å²	68	70.7 Å²	70.7	48%	0.476	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-43.1	176	-174.7	0	0	0	0	112	R493 E494 S499 E500 H501	R493-S497 PolarHBondContact O-N 3.37Å; E494-S497 WeakPolarHBondContact O-CB 3.42Å; E494-S497 PolarHBondContact O-N 2.81Å; S497-S499 PolarHBondContact O-N 3.5Å; S497-E500 PolarHBondContact O-N 2.87Å; S497-H501 WeakPolarHBondContact O-CB 3.2Å; S497-H501 PolarHBondContact O-N 2.88Å
498	M	96	Very high	95.1	Very high	57 Å²	57	77.3 Å²	77.3	28%	0.281	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-42.8	174.3	-174.5	-178.7	-74.2	0	0	112	L323 F324 K327 E494 L495 Q496 E500 H501 L502	L323-M498 HydrophobicContact CD2-CE 4.41Å; F324-M498 HydrophobicContact CB-SD 4.25Å; F324-M498 HydrophobicContact CD2-CB 4.44Å; F324-M498 HydrophobicContact CD2-CG 3.98Å; F324-M498 HydrophobicContact CD2-SD 3.91Å; K327-M498 HydrophobicContact CG-CE 4.4Å; E494-M498 PolarHBondContact O-N 2.84Å; L495-M498 PolarHBondContact O-N 2.81Å; Q496-M498 VanDerWaalsContact C-N 3.34Å; Q496-M498 PolarHBondContact O-N 2.89Å; M498-E500 PolarHBondContact O-N 3Å; M498-H501 PolarHBondContact O-N 3.16Å; M498-L502 HydrophobicContact CG-CD1 4.36Å; M498-L502 WeakPolarHBondContact O-CB 3.33Å; M498-L502 PolarHBondContact O-N 3.14Å
499	S	95.6	Very high	94.9	Very high	20 Å²	20	80.1 Å²	80.1	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-62.8	-41.4	175.4	-177.5	0	0	0	0	112.6	L495 Q496 S497 H501 R503	L495-S499 PolarHBondContact O-N 3.11Å; Q496-S499 WeakPolarHBondContact O-CB 3.49Å; Q496-S499 PolarHBondContact O-N 3.4Å; S497-S499 PolarHBondContact O-N 3.5Å; S499-H501 VanDerWaalsContact C-N 3.34Å; S499-R503 VanDerWaalsContact O-CB 3.27Å; S499-R503 WeakPolarHBondContact O-CB 3.31Å; S499-R503 PolarHBondContact O-N 2.92Å
500	E	95.2	Very high	94.8	Very high	73 Å²	73	81.4 Å²	81.4	34%	0.341	39%	0.385	S	S	.	.	H	α-helix	trans	-70.7	-29.7	178.8	-71.5	-179.3	-171.5	0	0	113.2	Q496 S497 M498 R504	Q496-E500 PolarHBondContact NE2-OE1 2.81Å; Q496-E500 PolarHBondContact O-N 3.23Å; S497-E500 PolarHBondContact O-N 2.87Å; M498-E500 PolarHBondContact O-N 3Å; E500-R504 WeakPolarHBondContact O-CG 3.47Å; E500-R504 PolarHBondContact O-N 3.49Å; E500-R504 PolarHBondContact O-NE 2.87Å
501	H	95.3	Very high	94.6	Very high	84 Å²	84	80.5 Å²	80.5	39%	0.389	39%	0.39	S	S	.	.	H	α-helix	trans	-69.6	-53.5	170.9	-179.4	46.9	0	0	0	111.3	S497 M498 S499 R503 R504 E505	S497-H501 WeakPolarHBondContact O-CB 3.2Å; S497-H501 PolarHBondContact O-N 2.88Å; M498-H501 PolarHBondContact O-N 3.16Å; S499-H501 VanDerWaalsContact C-N 3.34Å; H501-R503 PolarHBondContact O-N 3.16Å; H501-R504 WeakPolarHBondContact O-CA 3.24Å; H501-R504 WeakPolarHBondContact O-CB 3.34Å; H501-R504 PolarHBondContact O-N 2.91Å; H501-E505 IonicContact CE1-OE1 3.09Å; H501-E505 PolarHBondContact CE1-OE1 3.32Å; H501-E505 IonicContact CE1-OE2 3.47Å; H501-E505 IonicContact ND1-OE1 3.76Å; H501-E505 IonicContact NE2-OE1 2.8Å; H501-E505 IonicContact NE2-OE2 3.14Å; H501-E505 PolarHBondContact O-N 2.98Å
502	L	94.7	Very high	94.4	Very high	11 Å²	11	81 Å²	81	6%	0.058	39%	0.393	C	S	.	.	H	α-helix	trans	-53.4	-41.6	174.2	-85.4	169.2	0	0	0	112.5	P320 F324 M498 R504 E505 R506	P320-L502 HydrophobicContact CB-CD2 4.01Å; P320-L502 HydrophobicContact CG-CD2 4.01Å; F324-L502 HydrophobicContact CB-CD1 3.58Å; F324-L502 HydrophobicContact CD2-CD1 3.94Å; F324-L502 HydrophobicContact CG-CD1 3.78Å; M498-L502 HydrophobicContact CG-CD1 4.36Å; M498-L502 WeakPolarHBondContact O-CB 3.33Å; M498-L502 PolarHBondContact O-N 3.14Å; L502-R504 VanDerWaalsContact C-N 3.29Å; L502-R504 PolarHBondContact O-N 3.2Å; L502-E505 PolarHBondContact O-N 3.2Å; L502-R506 PolarHBondContact O-N 3.41Å
503	R	94.3	Very high	94.2	Very high	144 Å²	144	88.1 Å²	88.1	54%	0.543	42%	0.422	S	S	.	.	H	α-helix	trans	-64.3	-31.3	177	-172.7	-174.7	67.2	-173.8	-4.2	113.3	S499 H501 G507	S499-R503 VanDerWaalsContact O-CB 3.27Å; S499-R503 WeakPolarHBondContact O-CB 3.31Å; S499-R503 PolarHBondContact O-N 2.92Å; H501-R503 PolarHBondContact O-N 3.16Å; R503-G507 WeakPolarHBondContact CA-O 3.39Å; R503-G507 CarbonylContact O-C 3.39Å; R503-G507 VanDerWaalsContact O-CA 3.28Å; R503-G507 WeakPolarHBondContact O-CA 3.46Å; R503-G507 PolarHBondContact O-N 2.92Å
504	R	94.7	Very high	94.1	Very high	174 Å²	174	86 Å²	86	66%	0.657	42%	0.417	S	S	*	.	H	α-helix	trans	-75.3	-40	176.5	-78.4	176.2	-73.6	153.5	-6.5	111.7	E500 H501 L502	E500-R504 WeakPolarHBondContact O-CG 3.47Å; E500-R504 PolarHBondContact O-N 3.49Å; E500-R504 PolarHBondContact O-NE 2.87Å; H501-R504 WeakPolarHBondContact O-CA 3.24Å; H501-R504 WeakPolarHBondContact O-CB 3.34Å; H501-R504 PolarHBondContact O-N 2.91Å; L502-R504 VanDerWaalsContact C-N 3.29Å; L502-R504 PolarHBondContact O-N 3.2Å
505	E	93.7	Very high	93.9	Very high	130 Å²	130	85 Å²	85	61%	0.607	41%	0.413	S	S	*	.	H	α-helix	trans	-84.3	-44.3	-176.1	-62	-164.6	149.6	0	0	114	H501 L502	H501-E505 IonicContact CE1-OE1 3.09Å; H501-E505 PolarHBondContact CE1-OE1 3.32Å; H501-E505 IonicContact CE1-OE2 3.47Å; H501-E505 IonicContact ND1-OE1 3.76Å; H501-E505 IonicContact NE2-OE1 2.8Å; H501-E505 IonicContact NE2-OE2 3.14Å; H501-E505 PolarHBondContact O-N 2.98Å; L502-E505 PolarHBondContact O-N 3.2Å
506	R	91.9	Very high	93.9	Very high	136 Å²	136	85.2 Å²	85.2	51%	0.513	41%	0.414	S	S	.	.	S	Bend	trans	-107.1	0.3	-173.5	-62.7	-174.1	171.5	-153.3	-10.1	113.7	P320 D321 L502	P320-R506 VanDerWaalsContact CD-NH2 3.31Å; D321-R506 WeakPolarHBondContact OD2-CD 3.47Å; D321-R506 IonicContact OD2-CZ 2.69Å; D321-R506 IonicContact OD2-NE 3.5Å; D321-R506 IonicContact OD2-NH1 2.71Å; D321-R506 PolarHBondContact OD2-NH1 3.2Å; L502-R506 PolarHBondContact O-N 3.41Å
507	G	92.1	Very high	93.8	Very high	32 Å²	32	88.7 Å²	88.7	33%	0.33	43%	0.428	S	S	.	.			trans	78.2	-159	-179.6	0	0	0	0	0	114.1	R503 N509	R503-G507 WeakPolarHBondContact CA-O 3.39Å; R503-G507 CarbonylContact O-C 3.39Å; R503-G507 VanDerWaalsContact O-CA 3.28Å; R503-G507 WeakPolarHBondContact O-CA 3.46Å; R503-G507 PolarHBondContact O-N 2.92Å; G507-N509 PolarHBondContact O-N 2.92Å
508	K	89.6	Confident	93.7	Very high	207 Å²	207	86.5 Å²	86.5	90%	0.9	41%	0.411	S	S	*	.			trans	-80.3	103.4	-173	-68	177.7	-176.9	171.4	0	111.7
509	N	91.2	Very high	93.7	Very high	64 Å²	64	83.8 Å²	83.8	34%	0.342	40%	0.398	S	S	.	.			trans	-93.9	113.6	166.3	-175.5	-26.6	0	0	0	110.3	D321 G507 A511 N512 K513	D321-N509 PolarHBondContact OD1-ND2 3.23Å; G507-N509 PolarHBondContact O-N 2.92Å; N509-A511 WeakPolarHBondContact OD1-CB 3.46Å; N509-A511 PolarHBondContact OD1-N 2.81Å; N509-N512 HydrophobicContact CB-CB 4.08Å; N509-N512 PolarHBondContact ND2-ND2 2.95Å; N509-N512 VanDerWaalsContact ND2-ND2 3.18Å; N509-N512 PolarHBondContact ND2-OD1 2.71Å; N509-N512 PolarHBondContact OD1-N 2.69Å; N509-K513 PolarHBondContact O-N 3.19Å
510	S	92.8	Very high	93.8	Very high	99 Å²	99	85.5 Å²	85.5	69%	0.692	40%	0.403	S	S	*	.	H	α-helix	trans	-72.7	-34.2	-179.3	52	0	0	0	0	113.1	K513 K514	S510-K513 PolarHBondContact O-N 2.89Å; S510-K514 WeakPolarHBondContact O-CB 3.4Å; S510-K514 PolarHBondContact O-N 3.46Å
511	A	91.7	Very high	93.8	Very high	55 Å²	55	83.7 Å²	83.7	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-50.6	177.2	0	0	0	0	0	110.6	N509 K513 K514 M515	N509-A511 WeakPolarHBondContact OD1-CB 3.46Å; N509-A511 PolarHBondContact OD1-N 2.81Å; A511-K513 VanDerWaalsContact C-N 3.28Å; A511-K513 PolarHBondContact O-N 2.94Å; A511-K514 PolarHBondContact O-N 3.16Å; A511-K514 VanDerWaalsContact O-N 3.07Å; A511-M515 WeakPolarHBondContact O-CG 3.48Å; A511-M515 PolarHBondContact O-N 3.17Å
512	N	92.1	Very high	93.8	Very high	17 Å²	17	79.7 Å²	79.7	9%	0.091	38%	0.38	C	S	.	.	H	α-helix	trans	-57.7	-42	176.7	-67.1	10	0	0	0	111.3	D321 F324 N509 L516	D321-N512 PolarHBondContact OD1-ND2 3.47Å; F324-N512 HydrophobicContact CD1-CB 3.9Å; F324-N512 HydrophobicContact CE1-CB 3.55Å; F324-N512 HydrophobicContact CZ-CB 4.43Å; N509-N512 HydrophobicContact CB-CB 4.08Å; N509-N512 PolarHBondContact ND2-ND2 2.95Å; N509-N512 VanDerWaalsContact ND2-ND2 3.18Å; N509-N512 PolarHBondContact ND2-OD1 2.71Å; N509-N512 PolarHBondContact OD1-N 2.69Å; N512-L516 WeakPolarHBondContact O-CB 3.11Å; N512-L516 PolarHBondContact O-N 2.97Å
513	K	93.5	Very high	93.6	Very high	159 Å²	159	82.6 Å²	82.6	69%	0.691	40%	0.395	S	S	*	.	H	α-helix	trans	-63.5	-41.3	176.2	-175.1	-177.3	176.5	-172.6	0	112.4	N509 S510 A511 K517	N509-K513 PolarHBondContact O-N 3.19Å; S510-K513 PolarHBondContact O-N 2.89Å; A511-K513 VanDerWaalsContact C-N 3.28Å; A511-K513 PolarHBondContact O-N 2.94Å; K513-K517 WeakPolarHBondContact O-CB 3.48Å; K513-K517 PolarHBondContact O-N 3.25Å; K513-K517 VanDerWaalsContact O-N 3.15Å
514	K	94.6	Very high	93.5	Very high	121 Å²	121	79.6 Å²	79.6	53%	0.526	40%	0.401	S	S	.	.	H	α-helix	trans	-65.6	-52.8	177.1	-177.9	-179.7	-176.2	-62.7	0	110.4	S510 A511 L516 K517 D518	S510-K514 WeakPolarHBondContact O-CB 3.4Å; S510-K514 PolarHBondContact O-N 3.46Å; A511-K514 PolarHBondContact O-N 3.16Å; A511-K514 VanDerWaalsContact O-N 3.07Å; K514-L516 VanDerWaalsContact C-N 3.31Å; K514-L516 PolarHBondContact O-N 3.19Å; K514-K517 PolarHBondContact O-N 3.04Å; K514-K517 VanDerWaalsContact O-N 3.14Å; K514-D518 VanDerWaalsContact CG-OD2 3.31Å; K514-D518 WeakPolarHBondContact CG-OD2 3.34Å; K514-D518 IonicContact NZ-OD2 3.4Å; K514-D518 PolarHBondContact NZ-OD2 3.24Å; K514-D518 WeakPolarHBondContact O-CB 3.21Å; K514-D518 PolarHBondContact O-N 2.9Å
515	M	94.1	Very high	93.4	Very high	59 Å²	59	76.1 Å²	76.1	29%	0.291	39%	0.389	S	S	.	.	H	α-helix	trans	-51.3	-48.5	177.9	-76.6	-172.4	62.8	0	0	112.6	M325 V328 A511 D518 A519	M325-M515 HydrophobicContact CB-CE 4.36Å; M325-M515 HydrophobicContact CG-CE 3.85Å; M325-M515 HydrophobicContact CG-SD 4.33Å; V328-M515 HydrophobicContact CB-CE 3.89Å; V328-M515 HydrophobicContact CG1-CB 4.32Å; V328-M515 HydrophobicContact CG1-CE 3.86Å; V328-M515 HydrophobicContact CG2-CE 4.36Å; A511-M515 WeakPolarHBondContact O-CG 3.48Å; A511-M515 PolarHBondContact O-N 3.17Å; M515-D518 PolarHBondContact O-N 2.7Å; M515-A519 VanDerWaalsContact O-CB 3.29Å; M515-A519 WeakPolarHBondContact O-CB 3.41Å; M515-A519 PolarHBondContact O-N 2.98Å
516	L	95.4	Very high	93.1	Very high	9 Å²	9	76.1 Å²	76.1	5%	0.047	40%	0.403	C	S	.	.	H	α-helix	trans	-65.2	-42.6	-179.7	-168.7	66.2	0	0	0	112.3	F324 V328 L495 N512 K514 F520	F324-L516 HydrophobicContact CZ-CB 4.18Å; F324-L516 HydrophobicContact CZ-CD1 4.11Å; F324-L516 HydrophobicContact CZ-CD2 4.33Å; F324-L516 HydrophobicContact CZ-CG 4.46Å; V328-L516 HydrophobicContact CG2-CD1 4.45Å; L495-L516 HydrophobicContact CD2-CD1 3.71Å; L495-L516 HydrophobicContact CG-CD1 3.69Å; N512-L516 WeakPolarHBondContact O-CB 3.11Å; N512-L516 PolarHBondContact O-N 2.97Å; K514-L516 VanDerWaalsContact C-N 3.31Å; K514-L516 PolarHBondContact O-N 3.19Å; L516-F520 HydrophobicContact CD1-CD1 4.41Å; L516-F520 HydrophobicContact CD1-CD2 4.24Å; L516-F520 HydrophobicContact CD1-CE1 3.84Å; L516-F520 HydrophobicContact CD1-CE2 3.63Å; L516-F520 HydrophobicContact CD1-CZ 3.41Å; L516-F520 VanDerWaalsContact CD1-CZ 3.41Å; L516-F520 HydrophobicContact CD2-CE2 4.12Å; L516-F520 HydrophobicContact CG-CD2 4.02Å; L516-F520 HydrophobicContact CG-CE2 3.68Å; L516-F520 HydrophobicContact CG-CZ 4.03Å; L516-F520 WeakPolarHBondContact O-CB 3.46Å; L516-F520 WeakPolarHBondContact O-CG 3.49Å; L516-F520 PolarHBondContact O-N 3.23Å
517	K	95.6	Very high	93	Very high	143 Å²	143	72.5 Å²	72.5	62%	0.622	39%	0.394	S	S	*	.	H	α-helix	trans	-61.9	-47.1	176.7	-172.9	-161.7	173	-160.6	0	110.8	K513 K514 S521	K513-K517 WeakPolarHBondContact O-CB 3.48Å; K513-K517 PolarHBondContact O-N 3.25Å; K513-K517 VanDerWaalsContact O-N 3.15Å; K514-K517 PolarHBondContact O-N 3.04Å; K514-K517 VanDerWaalsContact O-N 3.14Å; K517-S521 WeakPolarHBondContact O-CB 3.43Å; K517-S521 PolarHBondContact O-N 2.81Å; K517-S521 PolarHBondContact O-OG 2.93Å
518	D	94.4	Very high	93	Very high	22 Å²	22	71 Å²	71	12%	0.118	38%	0.378	C	S	.	.	H	α-helix	trans	-67.5	-41.6	-176.9	-62.6	-10.4	0	0	0	110.4	K514 M515 S521 Q536	K514-D518 VanDerWaalsContact CG-OD2 3.31Å; K514-D518 WeakPolarHBondContact CG-OD2 3.34Å; K514-D518 IonicContact NZ-OD2 3.4Å; K514-D518 PolarHBondContact NZ-OD2 3.24Å; K514-D518 WeakPolarHBondContact O-CB 3.21Å; K514-D518 PolarHBondContact O-N 2.9Å; M515-D518 PolarHBondContact O-N 2.7Å; D518-S521 PolarHBondContact O-N 3.31Å; D518-Q536 VanDerWaalsContact C-NE2 3.28Å; D518-Q536 PolarHBondContact O-NE2 2.81Å
519	A	96.2	Very high	93.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-48.4	175.1	0	0	0	0	0	112.3	V328 F331 I332 M515 S521 L522	V328-A519 HydrophobicContact CG1-CB 3.79Å; F331-A519 HydrophobicContact CD1-CB 4.2Å; I332-A519 HydrophobicContact CD1-CB 4.01Å; I332-A519 HydrophobicContact CG1-CB 3.86Å; M515-A519 VanDerWaalsContact O-CB 3.29Å; M515-A519 WeakPolarHBondContact O-CB 3.41Å; M515-A519 PolarHBondContact O-N 2.98Å; A519-S521 VanDerWaalsContact C-N 3.27Å; A519-S521 PolarHBondContact O-N 3.05Å; A519-L522 WeakPolarHBondContact O-CB 3.4Å; A519-L522 PolarHBondContact O-N 2.69Å
520	F	96.8	Very high	93.3	Very high	56 Å²	56	66.7 Å²	66.7	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-68.5	-24.9	177.8	-69.4	-10.8	0	0	0	113.2	F331 G492 L495 Q496 L516 L522 L523	F331-F520 HydrophobicContact CD1-CD1 4.2Å; F331-F520 HydrophobicContact CD1-CE1 4.32Å; F331-F520 HydrophobicContact CD2-CE1 4.41Å; F331-F520 AromaticContact CE1-CD1 3.65Å; F331-F520 HydrophobicContact CE1-CD1 3.65Å; F331-F520 HydrophobicContact CE1-CE1 4.09Å; F331-F520 HydrophobicContact CE2-CD1 4.36Å; F331-F520 HydrophobicContact CE2-CE1 4.16Å; F331-F520 HydrophobicContact CG-CE1 4.47Å; F331-F520 AromaticContact CZ-CD1 3.73Å; F331-F520 HydrophobicContact CZ-CD1 3.73Å; F331-F520 AromaticContact CZ-CE1 3.99Å; F331-F520 HydrophobicContact CZ-CE1 3.99Å; G492-F520 WeakPolarHBondContact O-CZ 3.29Å; L495-F520 HydrophobicContact CD2-CE1 4.14Å; L495-F520 HydrophobicContact CD2-CZ 4.4Å; Q496-F520 HydrophobicContact CB-CE2 4.32Å; Q496-F520 HydrophobicContact CB-CZ 4.45Å; L516-F520 HydrophobicContact CD1-CD1 4.41Å; L516-F520 HydrophobicContact CD1-CD2 4.24Å; L516-F520 HydrophobicContact CD1-CE1 3.84Å; L516-F520 HydrophobicContact CD1-CE2 3.63Å; L516-F520 HydrophobicContact CD1-CZ 3.41Å; L516-F520 VanDerWaalsContact CD1-CZ 3.41Å; L516-F520 HydrophobicContact CD2-CE2 4.12Å; L516-F520 HydrophobicContact CG-CD2 4.02Å; L516-F520 HydrophobicContact CG-CE2 3.68Å; L516-F520 HydrophobicContact CG-CZ 4.03Å; L516-F520 WeakPolarHBondContact O-CB 3.46Å; L516-F520 WeakPolarHBondContact O-CG 3.49Å; L516-F520 PolarHBondContact O-N 3.23Å; F520-L522 PolarHBondContact O-N 3.31Å; F520-L523 PolarHBondContact O-N 3.03Å; F520-L523 VanDerWaalsContact O-N 3.11Å
521	S	95.8	Very high	93.3	Very high	35 Å²	35	62.6 Å²	62.6	25%	0.245	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-21.3	176.4	-62.8	0	0	0	0	112.8	K517 D518 A519 L523 A524 Y525	K517-S521 WeakPolarHBondContact O-CB 3.43Å; K517-S521 PolarHBondContact O-N 2.81Å; K517-S521 PolarHBondContact O-OG 2.93Å; D518-S521 PolarHBondContact O-N 3.31Å; A519-S521 VanDerWaalsContact C-N 3.27Å; A519-S521 PolarHBondContact O-N 3.05Å; S521-L523 PolarHBondContact O-N 3.4Å; S521-A524 WeakPolarHBondContact O-CB 3.17Å; S521-A524 PolarHBondContact O-N 3.45Å; S521-A524 VanDerWaalsContact O-N 3.11Å; S521-Y525 VanDerWaalsContact O-CD2 3.24Å; S521-Y525 WeakPolarHBondContact O-CD2 3.21Å; S521-Y525 WeakPolarHBondContact O-CE2 3.4Å
522	L	94.1	Very high	93.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-58.5	-32.8	172.3	-69	167.1	0	0	0	112.4	I332 V335 A519 F520 A524 P528 V533 Q536 L537	I332-L522 HydrophobicContact CG1-CD1 4.29Å; I332-L522 HydrophobicContact CG2-CD1 4.1Å; V335-L522 HydrophobicContact CG1-CB 4.36Å; V335-L522 HydrophobicContact CG1-CD1 4.37Å; A519-L522 WeakPolarHBondContact O-CB 3.4Å; A519-L522 PolarHBondContact O-N 2.69Å; F520-L522 PolarHBondContact O-N 3.31Å; L522-A524 VanDerWaalsContact C-N 3.27Å; L522-A524 PolarHBondContact O-N 2.93Å; L522-P528 HydrophobicContact CB-CB 4.35Å; L522-P528 HydrophobicContact CD2-CB 4.21Å; L522-V533 HydrophobicContact CD2-CG2 3.9Å; L522-V533 HydrophobicContact CG-CG2 4.15Å; L522-Q536 HydrophobicContact CD1-CB 4.43Å; L522-L537 HydrophobicContact CD1-CD2 4.27Å; L522-L537 HydrophobicContact CD1-CG 4.35Å; L522-L537 HydrophobicContact CD2-CD1 4Å; L522-L537 HydrophobicContact CD2-CG 4.23Å
523	L	91.7	Very high	93.4	Very high	73 Å²	73	64.9 Å²	64.9	38%	0.382	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-76.9	-9.3	178.9	-60	-171.3	0	0	0	114	F331 V335 L477 M488 F520 S521 Y525	F331-L523 HydrophobicContact CZ-CD1 3.84Å; F331-L523 HydrophobicContact CZ-CG 4.13Å; V335-L523 HydrophobicContact CG2-CD2 4.16Å; L477-L523 HydrophobicContact CD2-CD2 4.25Å; M488-L523 HydrophobicContact CE-CD1 4.25Å; M488-L523 HydrophobicContact CE-CD2 3.59Å; M488-L523 HydrophobicContact SD-CD2 3.97Å; F520-L523 PolarHBondContact O-N 3.03Å; F520-L523 VanDerWaalsContact O-N 3.11Å; S521-L523 PolarHBondContact O-N 3.4Å; L523-Y525 PolarHBondContact O-N 2.75Å
524	A	92	Very high	93.5	Very high	80 Å²	80	57.5 Å²	57.5	66%	0.661	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-80.5	-5.2	179	0	0	0	0	0	113.3	S521 L522	S521-A524 WeakPolarHBondContact O-CB 3.17Å; S521-A524 PolarHBondContact O-N 3.45Å; S521-A524 VanDerWaalsContact O-N 3.11Å; L522-A524 VanDerWaalsContact C-N 3.27Å; L522-A524 PolarHBondContact O-N 2.93Å
525	Y	91.7	Very high	93.5	Very high	102 Å²	102	56.7 Å²	56.7	40%	0.4	31%	0.307	S	S	.	.	S	Bend	trans	-119.9	141.8	-176.5	-59.3	-91.6	0	0	0	110.3	S521 L523 D527 P532	S521-Y525 VanDerWaalsContact O-CD2 3.24Å; S521-Y525 WeakPolarHBondContact O-CD2 3.21Å; S521-Y525 WeakPolarHBondContact O-CE2 3.4Å; L523-Y525 PolarHBondContact O-N 2.75Å; Y525-D527 PolarHBondContact O-N 2.78Å; Y525-P532 HydrophobicContact CE1-CG 4.38Å; Y525-P532 VanDerWaalsContact CZ-CD 3.44Å; Y525-P532 WeakPolarHBondContact OH-CD 3.45Å
526	S	87.4	Confident	93.5	Very high	130 Å²	130	54.6 Å²	54.6	91%	0.909	30%	0.297	S	S	*	.	S	Bend	trans	-65	-29.1	174.8	46.9	0	0	0	0	112.7
527	D	90.5	Very high	93.5	Very high	60 Å²	60	54.5 Å²	54.5	32%	0.321	30%	0.296	S	S	.	.	S	Bend	trans	-122.5	102.8	170.1	-177.8	-16	0	0	0	108.8	Y525 W529 N530	Y525-D527 PolarHBondContact O-N 2.78Å; D527-W529 VanDerWaalsContact C-N 3.3Å; D527-W529 PolarHBondContact O-N 2.81Å; D527-W529 PolarHBondContact OD1-N 3.22Å; D527-N530 HydrophobicContact CB-CB 4.33Å; D527-N530 PolarHBondContact O-N 2.93Å; D527-N530 PolarHBondContact OD1-N 3.36Å; D527-N530 PolarHBondContact OD2-ND2 2.94Å
528	P	92.5	Very high	93.5	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	29%	0.287	C	S	.	.	S	Bend	trans	-63	-31.2	178.9	-25.6	35	0	0	0	114.4	V335 L477 L522 S531 G534 L537	V335-P528 HydrophobicContact CG1-CB 4.28Å; V335-P528 HydrophobicContact CG1-CG 4.38Å; L477-P528 HydrophobicContact CD1-CG 4.23Å; L477-P528 HydrophobicContact CD2-CG 3.72Å; L477-P528 HydrophobicContact CG-CG 3.89Å; L522-P528 HydrophobicContact CB-CB 4.35Å; L522-P528 HydrophobicContact CD2-CB 4.21Å; P528-S531 VanDerWaalsContact O-CB 3.32Å; P528-S531 WeakPolarHBondContact O-CB 3.22Å; P528-S531 PolarHBondContact O-N 2.98Å; P528-S531 PolarHBondContact O-OG 2.87Å; P528-G534 VanDerWaalsContact O-CA 3.27Å; P528-G534 WeakPolarHBondContact O-CA 3.36Å; P528-L537 HydrophobicContact CB-CD1 3.77Å
529	W	93.6	Very high	93.6	Very high	43 Å²	43	54.1 Å²	54.1	16%	0.163	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-34.3	-177.7	-65.9	-87.8	0	0	0	111.3	N336 R475 D527 S531 L537	N336-W529 PolarHBondContact OD1-NE1 3.3Å; R475-W529 HydrophobicContact CB-CD2 4.01Å; R475-W529 HydrophobicContact CB-CE3 3.75Å; R475-W529 HydrophobicContact CB-CH2 3.65Å; R475-W529 HydrophobicContact CB-CZ2 3.86Å; R475-W529 HydrophobicContact CB-CZ3 3.57Å; R475-W529 WeakPolarHBondContact O-CZ3 3.33Å; D527-W529 VanDerWaalsContact C-N 3.3Å; D527-W529 PolarHBondContact O-N 2.81Å; D527-W529 PolarHBondContact OD1-N 3.22Å; W529-S531 VanDerWaalsContact C-N 3.3Å; W529-S531 PolarHBondContact O-N 2.83Å; W529-L537 HydrophobicContact CD2-CD1 4.06Å; W529-L537 HydrophobicContact CG-CD1 3.9Å
530	N	92.1	Very high	93.5	Very high	137 Å²	137	58.8 Å²	58.8	73%	0.733	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	13.7	173.8	-77.5	-54.2	0	0	0	114.1	D527	D527-N530 HydrophobicContact CB-CB 4.33Å; D527-N530 PolarHBondContact O-N 2.93Å; D527-N530 PolarHBondContact OD1-N 3.36Å; D527-N530 PolarHBondContact OD2-ND2 2.94Å
531	S	92.7	Very high	93.5	Very high	12 Å²	12	59.1 Å²	59.1	8%	0.084	33%	0.334	C	S	.	.	S	Bend	trans	-83.1	160	176.9	76	0	0	0	0	112.8	P528 W529 V533 G534	P528-S531 VanDerWaalsContact O-CB 3.32Å; P528-S531 WeakPolarHBondContact O-CB 3.22Å; P528-S531 PolarHBondContact O-N 2.98Å; P528-S531 PolarHBondContact O-OG 2.87Å; W529-S531 VanDerWaalsContact C-N 3.3Å; W529-S531 PolarHBondContact O-N 2.83Å; S531-V533 PolarHBondContact O-N 3.01Å; S531-V533 PolarHBondContact OG-N 2.89Å; S531-G534 PolarHBondContact O-N 2.69Å; S531-G534 PolarHBondContact OG-N 3.06Å
532	P	93.6	Very high	93.6	Very high	98 Å²	98	58.6 Å²	58.6	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-11.1	173.1	-24.2	35.1	0	0	0	115.1	Y525	Y525-P532 HydrophobicContact CE1-CG 4.38Å; Y525-P532 VanDerWaalsContact CZ-CD 3.44Å; Y525-P532 WeakPolarHBondContact OH-CD 3.45Å
533	V	93.8	Very high	93.7	Very high	22 Å²	22	63.9 Å²	63.9	13%	0.133	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	14.3	175.9	-61.2	0	0	0	0	112.5	L522 S531 Y535 Q536	L522-V533 HydrophobicContact CD2-CG2 3.9Å; L522-V533 HydrophobicContact CG-CG2 4.15Å; S531-V533 PolarHBondContact O-N 3.01Å; S531-V533 PolarHBondContact OG-N 2.89Å; V533-Y535 HydrophobicContact CB-CE1 4.34Å; V533-Y535 PolarHBondContact O-N 2.92Å; V533-Q536 WeakPolarHBondContact O-CB 3.49Å; V533-Q536 WeakPolarHBondContact O-CG 3.39Å; V533-Q536 PolarHBondContact O-N 3.26Å; V533-Q536 VanDerWaalsContact O-N 3.09Å; V533-Q536 PolarHBondContact O-NE2 2.86Å
534	G	94.3	Very high	93.9	Very high	5 Å²	5	64.1 Å²	64.1	5%	0.052	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-62.3	-26.7	-177.1	0	0	0	0	0	113.6	P528 S531 Q536 L537	P528-G534 VanDerWaalsContact O-CA 3.27Å; P528-G534 WeakPolarHBondContact O-CA 3.36Å; S531-G534 PolarHBondContact O-N 2.69Å; S531-G534 PolarHBondContact OG-N 3.06Å; G534-Q536 PolarHBondContact O-N 2.97Å; G534-L537 WeakPolarHBondContact O-CB 3.35Å; G534-L537 PolarHBondContact O-N 2.99Å
535	Y	95.1	Very high	94.1	Very high	103 Å²	103	60.9 Å²	60.9	40%	0.404	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-53.8	-21.4	171.9	73.5	-95.9	0	0	0	113.5	V533 L537 D538 Q541	V533-Y535 HydrophobicContact CB-CE1 4.34Å; V533-Y535 PolarHBondContact O-N 2.92Å; Y535-L537 PolarHBondContact O-N 3.44Å; Y535-D538 WeakPolarHBondContact CA-OD2 3.47Å; Y535-D538 WeakPolarHBondContact O-CB 3.3Å; Y535-D538 PolarHBondContact O-N 2.86Å; Y535-Q541 WeakPolarHBondContact O-CG 3.41Å
536	Q	95.4	Very high	94.4	Very high	16 Å²	16	56.4 Å²	56.4	8%	0.075	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-64.3	-24.6	173.6	-72.1	-179.4	107.5	0	0	113.1	R329 I332 D518 L522 V533 G534 D538	R329-Q536 VanDerWaalsContact CZ-O 3.3Å; R329-Q536 PolarHBondContact NH1-O 2.85Å; R329-Q536 PolarHBondContact NH2-O 3.03Å; I332-Q536 HydrophobicContact CD1-CB 4.44Å; I332-Q536 HydrophobicContact CG2-CB 4.35Å; I332-Q536 WeakPolarHBondContact CG2-O 3.25Å; D518-Q536 VanDerWaalsContact C-NE2 3.28Å; D518-Q536 PolarHBondContact O-NE2 2.81Å; L522-Q536 HydrophobicContact CD1-CB 4.43Å; V533-Q536 WeakPolarHBondContact O-CB 3.49Å; V533-Q536 WeakPolarHBondContact O-CG 3.39Å; V533-Q536 PolarHBondContact O-N 3.26Å; V533-Q536 VanDerWaalsContact O-N 3.09Å; V533-Q536 PolarHBondContact O-NE2 2.86Å; G534-Q536 PolarHBondContact O-N 2.97Å; Q536-D538 VanDerWaalsContact C-N 3.3Å
537	L	95.3	Very high	94.8	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-81.8	-10.1	-179.5	-64.6	164.5	0	0	0	112.7	I332 V335 N336 L522 P528 W529 G534 Y535	I332-L537 HydrophobicContact CG2-CD2 3.8Å; V335-L537 HydrophobicContact CB-CD2 4.29Å; V335-L537 HydrophobicContact CG1-CD2 3.88Å; N336-L537 HydrophobicContact CB-CD2 3.76Å; N336-L537 PolarHBondContact ND2-O 3.43Å; L522-L537 HydrophobicContact CD1-CD2 4.27Å; L522-L537 HydrophobicContact CD1-CG 4.35Å; L522-L537 HydrophobicContact CD2-CD1 4Å; L522-L537 HydrophobicContact CD2-CG 4.23Å; P528-L537 HydrophobicContact CB-CD1 3.77Å; W529-L537 HydrophobicContact CD2-CD1 4.06Å; W529-L537 HydrophobicContact CG-CD1 3.9Å; G534-L537 WeakPolarHBondContact O-CB 3.35Å; G534-L537 PolarHBondContact O-N 2.99Å; Y535-L537 PolarHBondContact O-N 3.44Å
538	D	95.4	Very high	95.1	Very high	79 Å²	79	52.9 Å²	52.9	42%	0.422	29%	0.29	S	S	.	.	S	Bend	trans	-67.9	140	176.8	-62.6	-33.8	0	0	0	111.4	Y535 Q536 I540 Q541	Y535-D538 WeakPolarHBondContact CA-OD2 3.47Å; Y535-D538 WeakPolarHBondContact O-CB 3.3Å; Y535-D538 PolarHBondContact O-N 2.86Å; Q536-D538 VanDerWaalsContact C-N 3.3Å; D538-I540 HydrophobicContact CB-CG2 4.06Å; D538-I540 PolarHBondContact O-N 2.98Å; D538-Q541 HydrophobicContact CB-CG 4.45Å; D538-Q541 WeakPolarHBondContact O-CB 3.35Å; D538-Q541 WeakPolarHBondContact O-CG 3.45Å; D538-Q541 PolarHBondContact O-N 3.46Å; D538-Q541 VanDerWaalsContact O-N 3.09Å
539	S	95.2	Very high	95.3	Very high	79 Å²	79	52.9 Å²	52.9	55%	0.552	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-60.6	-30.5	-177	49.1	0	0	0	0	113.4	Q541 R542	S539-Q541 PolarHBondContact O-N 3.4Å; S539-R542 WeakPolarHBondContact O-CB 3.42Å; S539-R542 WeakPolarHBondContact O-CD 3.38Å; S539-R542 VanDerWaalsContact O-CG 3.25Å; S539-R542 WeakPolarHBondContact O-CG 3.47Å; S539-R542 PolarHBondContact O-N 3.26Å
540	I	95.7	Very high	95.5	Very high	97 Å²	97	51 Å²	51	50%	0.497	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-58.6	-27.6	176.9	-163.3	169	0	0	0	112.7	D538 R542 E543	D538-I540 HydrophobicContact CB-CG2 4.06Å; D538-I540 PolarHBondContact O-N 2.98Å; I540-R542 PolarHBondContact O-N 3.29Å; I540-E543 PolarHBondContact O-N 2.98Å; I540-E543 VanDerWaalsContact O-N 3.1Å
541	Q	96.4	Very high	95.7	Very high	64 Å²	64	45.2 Å²	45.2	30%	0.299	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-69.3	-5.4	177.4	-55.8	-62.9	-35.9	0	0	113.5	Y535 D538 S539	Y535-Q541 WeakPolarHBondContact O-CG 3.41Å; D538-Q541 HydrophobicContact CB-CG 4.45Å; D538-Q541 WeakPolarHBondContact O-CB 3.35Å; D538-Q541 WeakPolarHBondContact O-CG 3.45Å; D538-Q541 PolarHBondContact O-N 3.46Å; D538-Q541 VanDerWaalsContact O-N 3.09Å; S539-Q541 PolarHBondContact O-N 3.4Å
542	R	97.6	Very high	95.9	Very high	23 Å²	23	45 Å²	45	9%	0.087	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-80.4	-27.6	172.6	-60.3	168.1	-179.5	171.4	-2	112	V296 L297 E333 T338 S539 I540 V545 C546	V296-R542 WeakPolarHBondContact O-CD 3.16Å; L297-R542 HydrophobicContact CD2-CB 4.3Å; L297-R542 WeakPolarHBondContact O-CD 3.03Å; L297-R542 PolarHBondContact O-NH1 3.11Å; E333-R542 WeakPolarHBondContact OE1-CG 3.37Å; E333-R542 IonicContact OE1-CZ 3.77Å; E333-R542 IonicContact OE1-NE 3.44Å; E333-R542 PolarHBondContact OE1-NE 3.06Å; E333-R542 IonicContact OE1-NH2 3.52Å; E333-R542 IonicContact OE2-CZ 3.68Å; E333-R542 IonicContact OE2-NE 3.9Å; E333-R542 IonicContact OE2-NH2 2.78Å; E333-R542 PolarHBondContact OE2-NH2 3.01Å; T338-R542 PolarHBondContact OG1-NH2 2.9Å; S539-R542 WeakPolarHBondContact O-CB 3.42Å; S539-R542 WeakPolarHBondContact O-CD 3.38Å; S539-R542 VanDerWaalsContact O-CG 3.25Å; S539-R542 WeakPolarHBondContact O-CG 3.47Å; S539-R542 PolarHBondContact O-N 3.26Å; I540-R542 PolarHBondContact O-N 3.29Å; R542-V545 PolarHBondContact O-N 3.46Å; R542-C546 VanDerWaalsContact O-CB 3.26Å; R542-C546 WeakPolarHBondContact O-CB 3.2Å; R542-C546 PolarHBondContact O-N 2.91Å
543	E	96.4	Very high	96	Very high	112 Å²	112	40.4 Å²	40.4	52%	0.523	22%	0.222	S	C	.	.	H	α-helix	trans	-63.5	-45.5	-174.1	-63.1	176.1	-169.8	0	0	113.8	L297 I540 V545 C546 S547	L297-E543 HydrophobicContact CD2-CG 3.95Å; I540-E543 PolarHBondContact O-N 2.98Å; I540-E543 VanDerWaalsContact O-N 3.1Å; E543-V545 VanDerWaalsContact C-N 3.28Å; E543-V545 PolarHBondContact O-N 3.06Å; E543-C546 WeakPolarHBondContact O-CB 3.2Å; E543-C546 PolarHBondContact O-N 2.95Å; E543-S547 WeakPolarHBondContact O-CB 3.41Å; E543-S547 PolarHBondContact O-N 2.97Å
544	P	95.7	Very high	96	Very high	77 Å²	77	39.6 Å²	39.6	50%	0.5	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-36.6	177.9	-22.4	34.8	0	0	0	112.3	T548	P544-T548 WeakPolarHBondContact O-CB 3.35Å; P544-T548 PolarHBondContact O-N 3.09Å; P544-T548 PolarHBondContact O-OG1 2.95Å
545	V	96.8	Very high	96	Very high	13 Å²	13	43 Å²	43	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-44.2	177.4	-179.1	0	0	0	0	110.4	M301 M325 L326 R329 R542 E543 T548 L549	M301-V545 HydrophobicContact CE-CG1 4.12Å; M325-V545 HydrophobicContact CE-CB 4.47Å; M325-V545 HydrophobicContact CE-CG1 4Å; L326-V545 HydrophobicContact CD2-CG1 3.61Å; R329-V545 HydrophobicContact CB-CG1 4.29Å; R329-V545 HydrophobicContact CB-CG2 4.29Å; R329-V545 HydrophobicContact CG-CG1 4.44Å; R329-V545 HydrophobicContact CG-CG2 4.28Å; R542-V545 PolarHBondContact O-N 3.46Å; E543-V545 VanDerWaalsContact C-N 3.28Å; E543-V545 PolarHBondContact O-N 3.06Å; V545-T548 PolarHBondContact O-N 2.83Å; V545-L549 WeakPolarHBondContact O-CB 3.28Å; V545-L549 PolarHBondContact O-N 3.45Å
546	C	97.7	Very high	95.8	Very high	8 Å²	8	41.4 Å²	41.4	5%	0.054	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-46.6	176	-171.2	0	0	0	0	112.1	V296 L297 R542 E543 L549 N550	V296-C546 HydrophobicContact CB-CB 4.27Å; V296-C546 HydrophobicContact CG1-CB 3.66Å; L297-C546 HydrophobicContact CD2-CB 4.09Å; L297-C546 HydrophobicContact CG-CB 4.39Å; R542-C546 VanDerWaalsContact O-CB 3.26Å; R542-C546 WeakPolarHBondContact O-CB 3.2Å; R542-C546 PolarHBondContact O-N 2.91Å; E543-C546 WeakPolarHBondContact O-CB 3.2Å; E543-C546 PolarHBondContact O-N 2.95Å; C546-L549 PolarHBondContact O-N 2.84Å; C546-N550 WeakPolarHBondContact O-CB 3.43Å; C546-N550 PolarHBondContact O-N 2.91Å
547	S	95.4	Very high	95.6	Very high	50 Å²	50	45 Å²	45	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-64.2	-43.6	177.6	-176.1	0	0	0	0	112.1	E543 L549 N550 S551	E543-S547 WeakPolarHBondContact O-CB 3.41Å; E543-S547 PolarHBondContact O-N 2.97Å; S547-L549 PolarHBondContact O-N 2.84Å; S547-N550 PolarHBondContact O-N 2.81Å; S547-S551 WeakPolarHBondContact O-CB 3.5Å; S547-S551 PolarHBondContact O-N 2.93Å; S547-S551 PolarHBondContact O-OG 3.4Å
548	T	96.3	Very high	95.4	Very high	65 Å²	65	52.2 Å²	52.2	40%	0.399	29%	0.288	S	S	.	.	H	α-helix	trans	-64.6	-41.2	178.7	-54	0	0	0	0	111.7	L322 M325 P544 V545 A552	L322-T548 HydrophobicContact CD1-CG2 4.34Å; M325-T548 HydrophobicContact CE-CG2 3.66Å; M325-T548 HydrophobicContact SD-CG2 4.16Å; P544-T548 WeakPolarHBondContact O-CB 3.35Å; P544-T548 PolarHBondContact O-N 3.09Å; P544-T548 PolarHBondContact O-OG1 2.95Å; V545-T548 PolarHBondContact O-N 2.83Å; T548-A552 PolarHBondContact O-N 2.88Å; T548-A552 VanDerWaalsContact O-N 3.09Å
549	L	97.7	Very high	95.2	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-46.8	174.4	175	55.5	0	0	0	111.8	I292 V296 T308 L315 L316 L322 L326 V545 C546 S547 S551 A552 I553	I292-L549 HydrophobicContact CG2-CD2 3.53Å; I292-L549 HydrophobicContact CG2-CG 4.31Å; V296-L549 HydrophobicContact CG2-CD2 4.09Å; T308-L549 HydrophobicContact CG2-CD1 3.94Å; L315-L549 HydrophobicContact CD2-CD1 4.04Å; L316-L549 HydrophobicContact CD2-CD1 4.38Å; L322-L549 HydrophobicContact CD1-CB 4.37Å; L322-L549 HydrophobicContact CD2-CD1 4.17Å; L326-L549 HydrophobicContact CD1-CD1 4.27Å; L326-L549 HydrophobicContact CD1-CD2 4.37Å; L326-L549 HydrophobicContact CD2-CB 4.45Å; L326-L549 HydrophobicContact CD2-CD2 4Å; V545-L549 WeakPolarHBondContact O-CB 3.28Å; V545-L549 PolarHBondContact O-N 3.45Å; C546-L549 PolarHBondContact O-N 2.84Å; S547-L549 PolarHBondContact O-N 2.84Å; L549-S551 VanDerWaalsContact C-N 3.33Å; L549-S551 PolarHBondContact O-N 3.38Å; L549-A552 PolarHBondContact O-N 2.84Å; L549-I553 HydrophobicContact CD1-CD1 3.98Å; L549-I553 HydrophobicContact CD1-CG1 4.19Å; L549-I553 HydrophobicContact CG-CD1 4.01Å; L549-I553 WeakPolarHBondContact O-CG1 3.43Å; L549-I553 PolarHBondContact O-N 3.18Å
550	N	97	Very high	95	Very high	2 Å²	2	51 Å²	51	1%	0.011	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-43	177.4	-176.3	62.5	0	0	0	112	H261 R289 Q293 C546 S547 A552 I553 L554	H261-N550 PolarHBondContact O-ND2 3.45Å; R289-N550 PolarHBondContact NH1-OD1 3.3Å; Q293-N550 VanDerWaalsContact NE2-CG 3.29Å; Q293-N550 PolarHBondContact NE2-OD1 2.88Å; C546-N550 WeakPolarHBondContact O-CB 3.43Å; C546-N550 PolarHBondContact O-N 2.91Å; S547-N550 PolarHBondContact O-N 2.81Å; N550-A552 VanDerWaalsContact C-N 3.33Å; N550-A552 PolarHBondContact O-N 2.78Å; N550-I553 PolarHBondContact O-N 3.1Å; N550-L554 WeakPolarHBondContact O-CG 3.27Å; N550-L554 PolarHBondContact O-N 3.43Å
551	S	96.2	Very high	94.9	Very high	17 Å²	17	51.7 Å²	51.7	12%	0.119	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-46	174.6	-56.1	0	0	0	0	111.4	S547 L549 I553 L554 E555 K561	S547-S551 WeakPolarHBondContact O-CB 3.5Å; S547-S551 PolarHBondContact O-N 2.93Å; S547-S551 PolarHBondContact O-OG 3.4Å; L549-S551 VanDerWaalsContact C-N 3.33Å; L549-S551 PolarHBondContact O-N 3.38Å; S551-I553 PolarHBondContact O-N 3.49Å; S551-L554 PolarHBondContact O-N 3.25Å; S551-E555 WeakPolarHBondContact O-CG 3.37Å; S551-E555 PolarHBondContact O-N 3.07Å; S551-K561 PolarHBondContact OG-O 3.3Å
552	A	96.8	Very high	94.7	Very high	7 Å²	7	53.5 Å²	53.5	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-33.6	178.7	0	0	0	0	0	113.4	L315 L322 T548 L549 N550 E555 T556	L315-A552 HydrophobicContact CD1-CB 4.28Å; L315-A552 WeakPolarHBondContact CD1-O 3.39Å; L322-A552 HydrophobicContact CD2-CB 3.5Å; T548-A552 PolarHBondContact O-N 2.88Å; T548-A552 VanDerWaalsContact O-N 3.09Å; L549-A552 PolarHBondContact O-N 2.84Å; N550-A552 VanDerWaalsContact C-N 3.33Å; N550-A552 PolarHBondContact O-N 2.78Å; A552-E555 PolarHBondContact O-N 2.74Å; A552-T556 PolarHBondContact O-N 3.07Å
553	I	96.4	Very high	94.5	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-40.4	173.1	-66.3	164	0	0	0	110.9	R289 I292 Y312 L315 L549 N550 S551 E555 T556 H557	R289-I553 HydrophobicContact CG-CG2 3.81Å; I292-I553 HydrophobicContact CD1-CD1 3.87Å; I292-I553 HydrophobicContact CG2-CD1 4.48Å; Y312-I553 HydrophobicContact CD1-CG2 4.09Å; Y312-I553 HydrophobicContact CD2-CD1 4.05Å; Y312-I553 HydrophobicContact CD2-CG1 3.97Å; Y312-I553 HydrophobicContact CD2-CG2 3.9Å; Y312-I553 HydrophobicContact CE1-CG2 3.7Å; Y312-I553 HydrophobicContact CE2-CB 4.49Å; Y312-I553 HydrophobicContact CE2-CD1 3.97Å; Y312-I553 HydrophobicContact CE2-CG1 4.15Å; Y312-I553 HydrophobicContact CE2-CG2 3.49Å; Y312-I553 VanDerWaalsContact CE2-CG2 3.49Å; Y312-I553 HydrophobicContact CG-CG2 4.17Å; L315-I553 HydrophobicContact CD2-CG1 3.65Å; L549-I553 HydrophobicContact CD1-CD1 3.98Å; L549-I553 HydrophobicContact CD1-CG1 4.19Å; L549-I553 HydrophobicContact CG-CD1 4.01Å; L549-I553 WeakPolarHBondContact O-CG1 3.43Å; L549-I553 PolarHBondContact O-N 3.18Å; N550-I553 PolarHBondContact O-N 3.1Å; S551-I553 PolarHBondContact O-N 3.49Å; I553-E555 VanDerWaalsContact C-N 3.34Å; I553-T556 PolarHBondContact O-N 2.88Å; I553-T556 PolarHBondContact O-OG1 2.74Å; I553-H557 PolarHBondContact O-ND1 2.98Å
554	L	94.5	Very high	94.4	Very high	4 Å²	4	50 Å²	50	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-39.8	176.4	-70.2	168.7	0	0	0	111.2	H261 N550 S551 T556 H557 N558 L559	H261-L554 WeakPolarHBondContact CD2-CD1 3.18Å; H261-L554 WeakPolarHBondContact NE2-CD1 3.12Å; N550-L554 WeakPolarHBondContact O-CG 3.27Å; N550-L554 PolarHBondContact O-N 3.43Å; S551-L554 PolarHBondContact O-N 3.25Å; L554-T556 VanDerWaalsContact C-N 3.34Å; L554-T556 PolarHBondContact O-N 2.87Å; L554-H557 CarbonylContact O-C 3.57Å; L554-H557 PolarHBondContact O-N 2.9Å; L554-H557 VanDerWaalsContact O-N 3.08Å; L554-N558 PolarHBondContact O-N 2.88Å; L554-L559 HydrophobicContact CB-CB 3.97Å; L554-L559 HydrophobicContact CD2-CB 3.89Å; L554-L559 HydrophobicContact CD2-CD1 3.7Å; L554-L559 HydrophobicContact CD2-CG 4.46Å; L554-L559 WeakPolarHBondContact O-CB 3.39Å; L554-L559 PolarHBondContact O-N 3.26Å
555	E	93.3	Very high	94.2	Very high	77 Å²	77	48.7 Å²	48.7	36%	0.36	27%	0.265	S	S	.	.	H	α-helix	trans	-57.4	-39.6	175.4	-73.3	179.1	-131	0	0	114.1	S551 A552 I553 H557 N558 K561	S551-E555 WeakPolarHBondContact O-CG 3.37Å; S551-E555 PolarHBondContact O-N 3.07Å; A552-E555 PolarHBondContact O-N 2.74Å; I553-E555 VanDerWaalsContact C-N 3.34Å; E555-H557 PolarHBondContact O-N 2.88Å; E555-H557 VanDerWaalsContact O-N 3.11Å; E555-N558 PolarHBondContact O-N 2.92Å; E555-K561 HydrophobicContact CG-CD 4.1Å; E555-K561 HydrophobicContact CG-CG 3.63Å; E555-K561 VanDerWaalsContact OE1-CD 3.29Å; E555-K561 WeakPolarHBondContact OE1-CD 3.35Å; E555-K561 WeakPolarHBondContact OE1-CE 3.34Å; E555-K561 IonicContact OE1-NZ 2.9Å; E555-K561 PolarHBondContact OE1-NZ 3.3Å; E555-K561 VanDerWaalsContact OE2-CE 3.27Å; E555-K561 WeakPolarHBondContact OE2-CE 3.48Å; E555-K561 IonicContact OE2-NZ 3.69Å; E555-K561 PolarHBondContact OE2-NZ 2.86Å
556	T	91.4	Very high	94	Very high	69 Å²	69	50 Å²	50	42%	0.423	28%	0.277	S	S	.	.	H	α-helix	trans	-66.5	-14	-179.7	53.9	0	0	0	0	113.4	L315 A552 I553 L554	L315-T556 HydrophobicContact CD1-CG2 3.39Å; A552-T556 PolarHBondContact O-N 3.07Å; I553-T556 PolarHBondContact O-N 2.88Å; I553-T556 PolarHBondContact O-OG1 2.74Å; L554-T556 VanDerWaalsContact C-N 3.34Å; L554-T556 PolarHBondContact O-N 2.87Å
557	H	89.6	Confident	93.8	Very high	91 Å²	91	53.1 Å²	53.1	42%	0.421	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	10	175.1	-57.8	79.6	0	0	0	112.4	Y312 I553 L554 E555 L559	Y312-H557 AromaticContact CD1-CE1 3.56Å; Y312-H557 AromaticContact CE1-CE1 3.39Å; Y312-H557 WeakPolarHBondContact CE1-CE1 3.44Å; Y312-H557 AromaticContact CE1-NE2 3.94Å; I553-H557 PolarHBondContact O-ND1 2.98Å; L554-H557 CarbonylContact O-C 3.57Å; L554-H557 PolarHBondContact O-N 2.9Å; L554-H557 VanDerWaalsContact O-N 3.08Å; E555-H557 PolarHBondContact O-N 2.88Å; E555-H557 VanDerWaalsContact O-N 3.11Å; H557-L559 HydrophobicContact CB-CD1 4.14Å; H557-L559 HydrophobicContact CB-CG 4.1Å; H557-L559 PolarHBondContact O-N 3.39Å
558	N	91.2	Very high	93.7	Very high	158 Å²	158	52.5 Å²	52.5	85%	0.845	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	26.5	-172.1	-55	-71.6	0	0	0	114	L554 E555	L554-N558 PolarHBondContact O-N 2.88Å; E555-N558 PolarHBondContact O-N 2.92Å
559	L	92.1	Very high	93.6	Very high	52 Å²	52	52.8 Å²	52.8	27%	0.272	29%	0.289	S	S	.	.			trans	-88	155.9	175.2	-63.3	175.1	0	0	0	111.1	E281 L554 H557 K561	E281-L559 HydrophobicContact CG-CD1 4.08Å; L554-L559 HydrophobicContact CB-CB 3.97Å; L554-L559 HydrophobicContact CD2-CB 3.89Å; L554-L559 HydrophobicContact CD2-CD1 3.7Å; L554-L559 HydrophobicContact CD2-CG 4.46Å; L554-L559 WeakPolarHBondContact O-CB 3.39Å; L554-L559 PolarHBondContact O-N 3.26Å; H557-L559 HydrophobicContact CB-CD1 4.14Å; H557-L559 HydrophobicContact CB-CG 4.1Å; H557-L559 PolarHBondContact O-N 3.39Å; L559-K561 PolarHBondContact O-N 3.23Å
560	P	91.8	Very high	93.3	Very high	81 Å²	81	54.5 Å²	54.5	53%	0.526	31%	0.307	S	S	.	.			trans	-60.6	130.4	-177.7	-24.8	34.9	0	0	0	113.6	H261 Q562	H261-P560 PolarHBondContact NE2-O 2.78Å; P560-Q562 PolarHBondContact O-N 3.36Å
561	K	92.8	Very high	93.2	Very high	112 Å²	112	60.4 Å²	60.4	49%	0.487	34%	0.335	S	S	.	.	S	Bend	trans	-57.4	-34.3	175.6	-56.1	-171	-176.2	-132.1	0	113.1	H261 S551 E555 L559	H261-K561 PolarHBondContact NE2-O 3.47Å; S551-K561 PolarHBondContact OG-O 3.3Å; E555-K561 HydrophobicContact CG-CD 4.1Å; E555-K561 HydrophobicContact CG-CG 3.63Å; E555-K561 VanDerWaalsContact OE1-CD 3.29Å; E555-K561 WeakPolarHBondContact OE1-CD 3.35Å; E555-K561 WeakPolarHBondContact OE1-CE 3.34Å; E555-K561 IonicContact OE1-NZ 2.9Å; E555-K561 PolarHBondContact OE1-NZ 3.3Å; E555-K561 VanDerWaalsContact OE2-CE 3.27Å; E555-K561 WeakPolarHBondContact OE2-CE 3.48Å; E555-K561 IonicContact OE2-NZ 3.69Å; E555-K561 PolarHBondContact OE2-NZ 2.86Å; L559-K561 PolarHBondContact O-N 3.23Å
562	Q	92.2	Very high	93.1	Very high	102 Å²	102	61.6 Å²	61.6	48%	0.477	35%	0.346	S	S	.	.	S	Bend	trans	-134.6	144.6	-176.8	-68.8	-179	-17.9	0	0	108.8	H261 P560 L567	H261-Q562 VanDerWaalsContact NE2-CA 3.26Å; H261-Q562 WeakPolarHBondContact NE2-CA 3.35Å; H261-Q562 PolarHBondContact NE2-N 2.83Å; P560-Q562 PolarHBondContact O-N 3.36Å; Q562-L567 HydrophobicContact CB-CD1 4.5Å; Q562-L567 HydrophobicContact CB-CD2 4.41Å; Q562-L567 HydrophobicContact CB-CG 4.16Å; Q562-L567 VanDerWaalsContact OE1-CD2 3.22Å
563	P	93.1	Very high	92.9	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.019	36%	0.361	C	S	.	.			trans	-71.9	148.1	176.4	30.4	-32.8	0	0	0	110.2	Y258 H261 L565 A566 L567	Y258-P563 HydrophobicContact CD2-CB 4.17Å; Y258-P563 HydrophobicContact CD2-CG 3.57Å; Y258-P563 HydrophobicContact CE2-CG 4.26Å; Y258-P563 HydrophobicContact CG-CG 4.38Å; H261-P563 HydrophobicContact CB-CB 4.13Å; H261-P563 HydrophobicContact CB-CG 4.45Å; P563-L565 PolarHBondContact O-N 2.77Å; P563-L565 VanDerWaalsContact O-N 3.08Å; P563-A566 HydrophobicContact CG-CB 3.89Å; P563-A566 PolarHBondContact O-N 2.87Å; P563-L567 PolarHBondContact O-N 2.97Å
564	P	93.7	Very high	92.8	Very high	57 Å²	57	69.8 Å²	69.8	37%	0.37	39%	0.391	S	S	.	.	H	α-helix	trans	-54.2	-30.7	179	-28.5	36.4	0	0	0	114.3	M254 S257 L567 A568	M254-P564 HydrophobicContact CG-CB 4.23Å; S257-P564 WeakPolarHBondContact OG-CD 3.33Å; P564-L567 PolarHBondContact O-N 3.09Å; P564-A568 WeakPolarHBondContact O-CB 3.02Å; P564-A568 PolarHBondContact O-N 2.83Å
565	L	93.3	Very high	92.7	Very high	50 Å²	50	73 Å²	73	26%	0.262	41%	0.412	S	S	.	.	H	α-helix	trans	-61.7	-47.5	176	-175.2	59.3	0	0	0	112.6	M254 Y258 P563 L567 A568 M569	M254-L565 HydrophobicContact CB-CB 4.34Å; M254-L565 HydrophobicContact CE-CB 4.41Å; M254-L565 HydrophobicContact CE-CD1 4.12Å; Y258-L565 HydrophobicContact CD2-CB 4.41Å; Y258-L565 HydrophobicContact CD2-CD2 4.16Å; Y258-L565 HydrophobicContact CG-CD2 4.17Å; P563-L565 PolarHBondContact O-N 2.77Å; P563-L565 VanDerWaalsContact O-N 3.08Å; L565-L567 VanDerWaalsContact C-N 3.32Å; L565-L567 PolarHBondContact O-N 3.17Å; L565-A568 PolarHBondContact O-N 3.38Å; L565-M569 HydrophobicContact CG-SD 4.47Å; L565-M569 WeakPolarHBondContact O-CG 3.49Å; L565-M569 PolarHBondContact O-N 2.8Å
566	A	92	Very high	92.7	Very high	40 Å²	40	71.1 Å²	71.1	33%	0.331	41%	0.405	S	S	.	.	H	α-helix	trans	-66.9	-36.1	178.1	0	0	0	0	0	111.7	P563 G570	P563-A566 HydrophobicContact CG-CB 3.89Å; P563-A566 PolarHBondContact O-N 2.87Å; A566-G570 PolarHBondContact O-N 2.96Å
567	L	94.2	Very high	92.6	Very high	75 Å²	75	70.1 Å²	70.1	39%	0.393	40%	0.4	S	S	.	.	H	α-helix	trans	-63.8	-44	173.4	-72.6	169.7	0	0	0	111.8	Q562 P563 P564 L565 G570 Q571	Q562-L567 HydrophobicContact CB-CD1 4.5Å; Q562-L567 HydrophobicContact CB-CD2 4.41Å; Q562-L567 HydrophobicContact CB-CG 4.16Å; Q562-L567 VanDerWaalsContact OE1-CD2 3.22Å; P563-L567 PolarHBondContact O-N 2.97Å; P564-L567 PolarHBondContact O-N 3.09Å; L565-L567 VanDerWaalsContact C-N 3.32Å; L565-L567 PolarHBondContact O-N 3.17Å; L567-G570 PolarHBondContact O-N 3.49Å; L567-Q571 WeakPolarHBondContact O-CB 3.3Å; L567-Q571 WeakPolarHBondContact O-CG 3.28Å; L567-Q571 PolarHBondContact O-N 2.91Å
568	A	93.2	Very high	92.7	Very high	37 Å²	37	70.7 Å²	70.7	31%	0.306	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-43.8	178.1	0	0	0	0	0	112.1	M254 P564 L565 Q571 A572	M254-A568 HydrophobicContact CE-CB 3.71Å; P564-A568 WeakPolarHBondContact O-CB 3.02Å; P564-A568 PolarHBondContact O-N 2.83Å; L565-A568 PolarHBondContact O-N 3.38Å; A568-Q571 PolarHBondContact O-N 3.46Å; A568-A572 WeakPolarHBondContact O-CB 3.02Å; A568-A572 PolarHBondContact O-N 3.3Å
569	M	92.5	Very high	92.8	Very high	70 Å²	70	66.4 Å²	66.4	35%	0.345	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-46.7	174.4	-69.3	172	59	0	0	112	L565 Q571 A572 A573 L596	L565-M569 HydrophobicContact CG-SD 4.47Å; L565-M569 WeakPolarHBondContact O-CG 3.49Å; L565-M569 PolarHBondContact O-N 2.8Å; M569-Q571 VanDerWaalsContact C-N 3.32Å; M569-Q571 PolarHBondContact O-N 3.19Å; M569-A572 PolarHBondContact O-N 3.19Å; M569-A573 PolarHBondContact O-N 3.38Å; M569-L596 HydrophobicContact CE-CD1 3.5Å; M569-L596 HydrophobicContact CE-CD2 3.51Å; M569-L596 HydrophobicContact CE-CG 4.18Å; M569-L596 HydrophobicContact SD-CD2 4.32Å
570	G	92.8	Very high	92.6	Very high	38 Å²	38	65.1 Å²	65.1	39%	0.392	38%	0.378	S	S	.	.	H	α-helix	trans	-62.4	-38.1	176.5	0	0	0	0	0	112.9	A566 L567 Q574	A566-G570 PolarHBondContact O-N 2.96Å; L567-G570 PolarHBondContact O-N 3.49Å; G570-Q574 WeakPolarHBondContact O-CB 3.48Å; G570-Q574 VanDerWaalsContact O-CG 3.28Å; G570-Q574 WeakPolarHBondContact O-CG 3.45Å; G570-Q574 PolarHBondContact O-N 3.04Å
571	Q	94.8	Very high	92.5	Very high	127 Å²	127	69.8 Å²	69.8	59%	0.593	39%	0.385	S	S	*	.	H	α-helix	trans	-65.4	-44.4	173.8	-76.1	171.5	1.5	0	0	111.8	L567 A568 M569 A573 Q574 C575	L567-Q571 WeakPolarHBondContact O-CB 3.3Å; L567-Q571 WeakPolarHBondContact O-CG 3.28Å; L567-Q571 PolarHBondContact O-N 2.91Å; A568-Q571 PolarHBondContact O-N 3.46Å; M569-Q571 VanDerWaalsContact C-N 3.32Å; M569-Q571 PolarHBondContact O-N 3.19Å; Q571-A573 PolarHBondContact O-N 3.36Å; Q571-Q574 CarbonylContact O-C 3.56Å; Q571-Q574 PolarHBondContact O-N 3.05Å; Q571-C575 WeakPolarHBondContact O-CB 3.36Å; Q571-C575 PolarHBondContact O-N 2.92Å; Q571-C575 PolarHBondContact O-SG 3.49Å; Q571-C575 VanDerWaalsContact O-SG 3.35Å
572	A	93.7	Very high	92.4	Very high	42 Å²	42	69.5 Å²	69.5	35%	0.347	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-45.5	177	0	0	0	0	0	112	A568 M569 Q574 C575 L576 V592	A568-A572 WeakPolarHBondContact O-CB 3.02Å; A568-A572 PolarHBondContact O-N 3.3Å; M569-A572 PolarHBondContact O-N 3.19Å; A572-Q574 PolarHBondContact O-N 2.93Å; A572-C575 WeakPolarHBondContact O-CB 3.43Å; A572-C575 PolarHBondContact O-N 3.29Å; A572-L576 PolarHBondContact O-N 2.56Å; A572-L576 VanDerWaalsContact O-N 3.1Å; A572-V592 HydrophobicContact CB-CG2 3.8Å
573	A	92.4	Very high	92.2	Very high	46 Å²	46	65.9 Å²	65.9	38%	0.38	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-40.6	175.7	0	0	0	0	0	112.4	M569 Q571 L576 S577 V592	M569-A573 PolarHBondContact O-N 3.38Å; Q571-A573 PolarHBondContact O-N 3.36Å; A573-L576 PolarHBondContact O-N 2.8Å; A573-S577 PolarHBondContact O-N 3.48Å; A573-S577 VanDerWaalsContact O-N 3.17Å; A573-V592 HydrophobicContact CB-CG2 4.17Å
574	Q	93.4	Very high	92	Very high	135 Å²	135	67.8 Å²	67.8	63%	0.631	40%	0.397	S	S	*	.	H	α-helix	trans	-69.8	-31.6	175.2	-69.7	-64.4	-22.9	0	0	112.9	G570 Q571 A572 S577 L578	G570-Q574 WeakPolarHBondContact O-CB 3.48Å; G570-Q574 VanDerWaalsContact O-CG 3.28Å; G570-Q574 WeakPolarHBondContact O-CG 3.45Å; G570-Q574 PolarHBondContact O-N 3.04Å; Q571-Q574 CarbonylContact O-C 3.56Å; Q571-Q574 PolarHBondContact O-N 3.05Å; A572-Q574 PolarHBondContact O-N 2.93Å; Q574-S577 PolarHBondContact O-N 3.38Å; Q574-L578 WeakPolarHBondContact O-CB 3.46Å; Q574-L578 PolarHBondContact O-N 3.25Å
575	C	94	Very high	91.9	Very high	70 Å²	70	65.1 Å²	65.1	47%	0.473	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-42.3	172.2	-76.7	0	0	0	0	111.6	Q571 A572 L578 M579	Q571-C575 WeakPolarHBondContact O-CB 3.36Å; Q571-C575 PolarHBondContact O-N 2.92Å; Q571-C575 PolarHBondContact O-SG 3.49Å; Q571-C575 VanDerWaalsContact O-SG 3.35Å; A572-C575 WeakPolarHBondContact O-CB 3.43Å; A572-C575 PolarHBondContact O-N 3.29Å; C575-L578 PolarHBondContact O-N 3.44Å; C575-M579 WeakPolarHBondContact O-CB 3.5Å; C575-M579 VanDerWaalsContact O-CG 3.27Å; C575-M579 WeakPolarHBondContact O-CG 3.39Å; C575-M579 PolarHBondContact O-N 3.3Å
576	L	92	Very high	91.9	Very high	39 Å²	39	64.3 Å²	64.3	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-61.9	-44.3	174.4	-68	170.1	0	0	0	111.9	A572 A573 L578 M579 A580 C587 A590 V592	A572-L576 PolarHBondContact O-N 2.56Å; A572-L576 VanDerWaalsContact O-N 3.1Å; A573-L576 PolarHBondContact O-N 2.8Å; L576-L578 VanDerWaalsContact C-N 3.34Å; L576-L578 PolarHBondContact O-N 2.62Å; L576-M579 HydrophobicContact CD2-SD 4.44Å; L576-M579 WeakPolarHBondContact O-CB 3.3Å; L576-M579 PolarHBondContact O-N 2.79Å; L576-A580 PolarHBondContact O-N 3.09Å; L576-C587 HydrophobicContact CD2-CB 4.22Å; L576-A590 WeakPolarHBondContact CD1-O 3.43Å; L576-A590 HydrophobicContact CD2-CB 3.91Å; L576-V592 HydrophobicContact CD1-CG2 3.97Å
577	S	89.5	Confident	91.8	Very high	48 Å²	48	62.7 Å²	62.7	34%	0.336	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-39.9	173.9	179.6	0	0	0	0	112.6	A573 Q574 A580 R581	A573-S577 PolarHBondContact O-N 3.48Å; A573-S577 VanDerWaalsContact O-N 3.17Å; Q574-S577 PolarHBondContact O-N 3.38Å; S577-A580 WeakPolarHBondContact O-CB 3.48Å; S577-A580 PolarHBondContact O-N 3.21Å; S577-R581 WeakPolarHBondContact O-CG 3.33Å; S577-R581 PolarHBondContact O-N 2.89Å; S577-R581 VanDerWaalsContact O-N 3.13Å
578	L	92.8	Very high	91.8	Very high	102 Å²	102	59.6 Å²	59.6	53%	0.534	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-39.9	175.3	-174.8	62.9	0	0	0	111.9	Q574 C575 L576 A580 R581 T582	Q574-L578 WeakPolarHBondContact O-CB 3.46Å; Q574-L578 PolarHBondContact O-N 3.25Å; C575-L578 PolarHBondContact O-N 3.44Å; L576-L578 VanDerWaalsContact C-N 3.34Å; L576-L578 PolarHBondContact O-N 2.62Å; L578-A580 VanDerWaalsContact C-N 3.35Å; L578-A580 PolarHBondContact O-N 3.39Å; L578-R581 PolarHBondContact O-N 3.13Å; L578-R581 VanDerWaalsContact O-N 3.16Å; L578-T582 HydrophobicContact CD1-CG2 4.34Å; L578-T582 HydrophobicContact CG-CG2 4.43Å; L578-T582 WeakPolarHBondContact O-CG2 3.47Å; L578-T582 PolarHBondContact O-N 3.09Å; L578-T582 PolarHBondContact O-OG1 3.37Å
579	M	91.9	Very high	91.9	Very high	69 Å²	69	58.6 Å²	58.6	34%	0.34	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-41.4	175	-75.8	170.4	65.6	0	0	112.1	C575 L576 R581 T582 G583 S584 C587	C575-M579 WeakPolarHBondContact O-CB 3.5Å; C575-M579 VanDerWaalsContact O-CG 3.27Å; C575-M579 WeakPolarHBondContact O-CG 3.39Å; C575-M579 PolarHBondContact O-N 3.3Å; L576-M579 HydrophobicContact CD2-SD 4.44Å; L576-M579 WeakPolarHBondContact O-CB 3.3Å; L576-M579 PolarHBondContact O-N 2.79Å; M579-R581 PolarHBondContact O-N 3.49Å; M579-T582 WeakPolarHBondContact CA-OG1 3.43Å; M579-T582 PolarHBondContact O-N 2.73Å; M579-T582 PolarHBondContact O-OG1 3.41Å; M579-G583 PolarHBondContact O-N 3.05Å; M579-S584 WeakPolarHBondContact O-CB 3.35Å; M579-S584 PolarHBondContact O-N 2.81Å; M579-C587 HydrophobicContact CB-CB 3.82Å; M579-C587 HydrophobicContact CE-CB 4.4Å
580	A	89.4	Confident	91.8	Very high	24 Å²	24	56.2 Å²	56.2	20%	0.198	33%	0.33	C	S	.	.	H	α-helix	trans	-57.6	-48.5	171.4	0	0	0	0	0	111.5	A93 L576 S577 L578 T582 G583 C587	A93-A580 HydrophobicContact CB-CB 3.92Å; L576-A580 PolarHBondContact O-N 3.09Å; S577-A580 WeakPolarHBondContact O-CB 3.48Å; S577-A580 PolarHBondContact O-N 3.21Å; L578-A580 VanDerWaalsContact C-N 3.35Å; L578-A580 PolarHBondContact O-N 3.39Å; A580-T582 VanDerWaalsContact C-N 3.33Å; A580-T582 PolarHBondContact O-N 2.82Å; A580-G583 PolarHBondContact O-N 3.33Å; A580-C587 WeakPolarHBondContact CA-SG 3.48Å; A580-C587 VanDerWaalsContact CB-SG 3.58Å; A580-C587 PolarHBondContact N-SG 2.98Å; A580-C587 VanDerWaalsContact N-SG 3.45Å
581	R	88.6	Confident	91.6	Very high	179 Å²	179	56.2 Å²	56.2	68%	0.675	32%	0.324	S	S	*	.	H	α-helix	trans	-69.3	-24.8	-177.9	-71.1	176.3	57.7	-179.2	-1.7	114.2	S577 L578 M579	S577-R581 WeakPolarHBondContact O-CG 3.33Å; S577-R581 PolarHBondContact O-N 2.89Å; S577-R581 VanDerWaalsContact O-N 3.13Å; L578-R581 PolarHBondContact O-N 3.13Å; L578-R581 VanDerWaalsContact O-N 3.16Å; M579-R581 PolarHBondContact O-N 3.49Å
582	T	90.3	Very high	91.3	Very high	106 Å²	106	51.5 Å²	51.5	65%	0.65	30%	0.304	S	S	*	.	H	α-helix	trans	-89.2	-3.6	174.8	57	0	0	0	0	113.6	L578 M579 A580	L578-T582 HydrophobicContact CD1-CG2 4.34Å; L578-T582 HydrophobicContact CG-CG2 4.43Å; L578-T582 WeakPolarHBondContact O-CG2 3.47Å; L578-T582 PolarHBondContact O-N 3.09Å; L578-T582 PolarHBondContact O-OG1 3.37Å; M579-T582 WeakPolarHBondContact CA-OG1 3.43Å; M579-T582 PolarHBondContact O-N 2.73Å; M579-T582 PolarHBondContact O-OG1 3.41Å; A580-T582 VanDerWaalsContact C-N 3.33Å; A580-T582 PolarHBondContact O-N 2.82Å
583	G	88.2	Confident	90.9	Very high	27 Å²	27	54.5 Å²	54.5	28%	0.278	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	10	174.4	0	0	0	0	0	115.6	M579 A580 G585	M579-G583 PolarHBondContact O-N 3.05Å; A580-G583 PolarHBondContact O-N 3.33Å; G583-G585 PolarHBondContact O-N 3.35Å
584	S	90.5	Very high	90.6	Very high	42 Å²	42	56.5 Å²	56.5	29%	0.294	32%	0.318	S	S	.	.			trans	-83.3	104.4	178.8	-178.1	0	0	0	0	111	M579 S586 C587	M579-S584 WeakPolarHBondContact O-CB 3.35Å; M579-S584 PolarHBondContact O-N 2.81Å; S584-S586 PolarHBondContact O-N 2.74Å; S584-C587 PolarHBondContact O-N 3.03Å; S584-C587 PolarHBondContact O-SG 2.84Å
585	G	91.3	Very high	90.1	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.01	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-64.4	-19	-178.7	0	0	0	0	0	115.2	A92 G95 L169 G583 C587 A588	A92-G585 WeakPolarHBondContact O-CA 3.46Å; G95-G585 WeakPolarHBondContact CA-O 3.46Å; L169-G585 VanDerWaalsContact O-CA 3.3Å; L169-G585 WeakPolarHBondContact O-CA 3.41Å; L169-G585 PolarHBondContact O-N 2.8Å; L169-G585 VanDerWaalsContact O-N 3.11Å; G583-G585 PolarHBondContact O-N 3.35Å; G585-C587 PolarHBondContact O-N 3.45Å; G585-C587 VanDerWaalsContact O-N 3.16Å; G585-A588 WeakPolarHBondContact O-CB 3.41Å; G585-A588 PolarHBondContact O-N 2.74Å; G585-A588 VanDerWaalsContact O-N 3.11Å
586	S	91.8	Very high	89.4	Confident	34 Å²	34	55.5 Å²	55.5	24%	0.238	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-58.8	-28.6	-179.5	-48.2	0	0	0	0	113.4	S584 A588 F589	S584-S586 PolarHBondContact O-N 2.74Å; S586-A588 PolarHBondContact O-N 2.79Å; S586-F589 PolarHBondContact O-N 2.89Å
587	C	91.6	Very high	87.9	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.041	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-61.7	-22.6	178.4	67.1	0	0	0	0	113.7	L576 M579 A580 S584 G585 F589 A590	L576-C587 HydrophobicContact CD2-CB 4.22Å; M579-C587 HydrophobicContact CB-CB 3.82Å; M579-C587 HydrophobicContact CE-CB 4.4Å; A580-C587 WeakPolarHBondContact CA-SG 3.48Å; A580-C587 VanDerWaalsContact CB-SG 3.58Å; A580-C587 PolarHBondContact N-SG 2.98Å; A580-C587 VanDerWaalsContact N-SG 3.45Å; S584-C587 PolarHBondContact O-N 3.03Å; S584-C587 PolarHBondContact O-SG 2.84Å; G585-C587 PolarHBondContact O-N 3.45Å; G585-C587 VanDerWaalsContact O-N 3.16Å; C587-F589 PolarHBondContact O-N 3.39Å; C587-A590 PolarHBondContact O-N 2.68Å
588	A	94.2	Very high	87.8	Confident	10 Å²	10	65.2 Å²	65.2	8%	0.083	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-69.8	-21.3	-177.7	0	0	0	0	0	113.6	A39 A93 G95 G585 S586	A39-A588 HydrophobicContact CB-CB 4.36Å; A93-A588 WeakPolarHBondContact O-CB 3.48Å; G95-A588 VanDerWaalsContact CA-CB 3.47Å; G95-A588 VanDerWaalsContact N-CB 3.3Å; G585-A588 WeakPolarHBondContact O-CB 3.41Å; G585-A588 PolarHBondContact O-N 2.74Å; G585-A588 VanDerWaalsContact O-N 3.11Å; S586-A588 PolarHBondContact O-N 2.79Å
589	F	93.6	Very high	87.6	Confident	15 Å²	15	63.2 Å²	63.2	7%	0.066	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-117.8	29.6	-178.6	-58.2	-27.3	0	0	0	112	V96 I170 M224 W227 R228 I231 S586 C587	V96-F589 HydrophobicContact CB-CZ 4.16Å; V96-F589 HydrophobicContact CG2-CE2 3.95Å; V96-F589 HydrophobicContact CG2-CZ 4.01Å; I170-F589 HydrophobicContact CD1-CD2 3.48Å; I170-F589 VanDerWaalsContact CD1-CD2 3.48Å; I170-F589 HydrophobicContact CD1-CE2 3.53Å; M224-F589 HydrophobicContact CB-CZ 4.46Å; M224-F589 HydrophobicContact CG-CZ 4.33Å; W227-F589 HydrophobicContact CB-CD2 3.92Å; W227-F589 HydrophobicContact CB-CE2 3.58Å; R228-F589 HydrophobicContact CB-CG 4.5Å; R228-F589 HydrophobicContact CG-CB 3.91Å; R228-F589 HydrophobicContact CG-CD1 3.48Å; R228-F589 VanDerWaalsContact CG-CD1 3.48Å; R228-F589 HydrophobicContact CG-CD2 4.08Å; R228-F589 HydrophobicContact CG-CE1 4.03Å; R228-F589 HydrophobicContact CG-CG 3.55Å; I231-F589 HydrophobicContact CB-CB 4.24Å; I231-F589 HydrophobicContact CG1-CB 4.37Å; I231-F589 HydrophobicContact CG1-CD2 4.48Å; I231-F589 HydrophobicContact CG2-CB 4.3Å; I231-F589 WeakPolarHBondContact CG2-O 3.47Å; S586-F589 PolarHBondContact O-N 2.89Å; C587-F589 PolarHBondContact O-N 3.39Å
590	A	90.4	Very high	87.3	Confident	21 Å²	21	62.9 Å²	62.9	17%	0.174	34%	0.336	C	S	.	.			trans	-137.6	124.4	169.5	0	0	0	0	0	108.8	I235 L576 C587	I235-A590 HydrophobicContact CD1-CB 3.74Å; L576-A590 WeakPolarHBondContact CD1-O 3.43Å; L576-A590 HydrophobicContact CD2-CB 3.91Å; C587-A590 PolarHBondContact O-N 2.68Å
591	S	88.3	Confident	87.2	Confident	38 Å²	38	65.2 Å²	65.2	27%	0.266	34%	0.344	S	S	.	.			trans	-115.3	151.3	167.2	-170.2	0	0	0	0	109.7	D593 D594 Y595	S591-D593 VanDerWaalsContact C-N 3.31Å; S591-D593 PolarHBondContact OG-N 3.13Å; S591-D594 VanDerWaalsContact CB-OD2 3.28Å; S591-D594 WeakPolarHBondContact CB-OD2 3.25Å; S591-Y595 VanDerWaalsContact O-CD2 3.24Å; S591-Y595 WeakPolarHBondContact O-CD2 3.37Å; S591-Y595 WeakPolarHBondContact O-CE2 3.4Å
592	V	89	Confident	87.1	Confident	27 Å²	27	58.1 Å²	58.1	16%	0.164	32%	0.323	C	S	.	.	S	Bend	trans	-71	-35.5	165.9	178.8	0	0	0	0	109.8	A572 A573 L576 D594 Y595 L596	A572-V592 HydrophobicContact CB-CG2 3.8Å; A573-V592 HydrophobicContact CB-CG2 4.17Å; L576-V592 HydrophobicContact CD1-CG2 3.97Å; V592-D594 VanDerWaalsContact C-N 3.26Å; V592-D594 PolarHBondContact O-N 2.85Å; V592-Y595 PolarHBondContact O-N 2.97Å; V592-Y595 VanDerWaalsContact O-N 3.1Å; V592-L596 HydrophobicContact CG1-CD1 4.45Å
593	D	86.9	Confident	86.9	Confident	106 Å²	106	54.9 Å²	54.9	57%	0.567	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-66.3	-27	-173.9	-58.6	-33.6	0	0	0	113	S591 Y595 L596	S591-D593 VanDerWaalsContact C-N 3.31Å; S591-D593 PolarHBondContact OG-N 3.13Å; D593-Y595 PolarHBondContact O-N 3.26Å; D593-Y595 VanDerWaalsContact O-N 3.09Å; D593-L596 PolarHBondContact O-N 3.26Å; D593-L596 VanDerWaalsContact O-N 3.1Å
594	D	85.1	Confident	86.8	Confident	87 Å²	87	56.9 Å²	56.9	47%	0.465	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-63.6	-12.7	175.6	-60.2	-20.2	0	0	0	112.7	S591 V592 H597	S591-D594 VanDerWaalsContact CB-OD2 3.28Å; S591-D594 WeakPolarHBondContact CB-OD2 3.25Å; V592-D594 VanDerWaalsContact C-N 3.26Å; V592-D594 PolarHBondContact O-N 2.85Å; D594-H597 PolarHBondContact O-CD2 2.77Å; D594-H597 VanDerWaalsContact O-CD2 3.28Å
595	Y	82.8	Confident	86.5	Confident	99 Å²	99	58 Å²	58	39%	0.388	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-113.3	10.7	179.2	-57	-99.2	0	0	0	112.9	Q232 I235 S591 V592 D593	Q232-Y595 PolarHBondContact NE2-OH 3.47Å; Q232-Y595 PolarHBondContact OE1-OH 3.09Å; I235-Y595 HydrophobicContact CG2-CE1 4.44Å; I235-Y595 VanDerWaalsContact CG2-OH 3.27Å; I235-Y595 WeakPolarHBondContact CG2-OH 3.26Å; S591-Y595 VanDerWaalsContact O-CD2 3.24Å; S591-Y595 WeakPolarHBondContact O-CD2 3.37Å; S591-Y595 WeakPolarHBondContact O-CE2 3.4Å; V592-Y595 PolarHBondContact O-N 2.97Å; V592-Y595 VanDerWaalsContact O-N 3.1Å; D593-Y595 PolarHBondContact O-N 3.26Å; D593-Y595 VanDerWaalsContact O-N 3.09Å
596	L	79.3	Confident	86.1	Confident	85 Å²	85	62.8 Å²	62.8	45%	0.445	33%	0.328	S	S	.	.			trans	-105.9	20.6	-179.3	-56.7	-178	0	0	0	113.6	M569 V592 D593	M569-L596 HydrophobicContact CE-CD1 3.5Å; M569-L596 HydrophobicContact CE-CD2 3.51Å; M569-L596 HydrophobicContact CE-CG 4.18Å; M569-L596 HydrophobicContact SD-CD2 4.32Å; V592-L596 HydrophobicContact CG1-CD1 4.45Å; D593-L596 PolarHBondContact O-N 3.26Å; D593-L596 VanDerWaalsContact O-N 3.1Å
597	H	60.5	Low	85.6	Confident	225 Å²	225	65.4 Å²	65.4	100%	1.042	34%	0.336	S	S	*	.			trans	-79	0	-176.7	-64.9	-37.9	0	0	0	114.2	D594	D594-H597 PolarHBondContact O-CD2 2.77Å; D594-H597 VanDerWaalsContact O-CD2 3.28Å

Retrieved 597 of 597 residues in 346.9 ms (Link to these results)

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