A0A060WUK0_ONCMY Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A060WUK0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110490503, Length 463 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	43.1	Very low	50.8	Low	252 Å²	252	128.5 Å²	128.5	100%	1.241	86%	0.859	S	S	*	*				0	96.5	0	-79.3	177.3	172.8	0	0	108.1
2	A	40.5	Very low	52.4	Low	96 Å²	96	128.1 Å²	128.1	79%	0.793	85%	0.854	S	S	*	*			trans	-116.9	109.7	169.7	0	0	0	0	0	106.4	T4	A2-T4 PolarHBondContact O-N 3.31Å
3	M	44.1	Very low	54.3	Low	192 Å²	192	127.8 Å²	127.8	95%	0.946	84%	0.835	S	S	*	*			trans	-71.9	105.2	175.5	-71	-83.8	-98.5	0	0	107.6	G5	M3-G5 PolarHBondContact O-N 3.44Å
4	T	46.8	Very low	56.4	Low	137 Å²	137	122.9 Å²	122.9	84%	0.84	81%	0.805	S	S	*	*			trans	-71.6	110	170	41.4	0	0	0	0	108.4	A2 G6	A2-T4 PolarHBondContact O-N 3.31Å; T4-G6 PolarHBondContact O-N 2.83Å; T4-G6 VanDerWaalsContact O-N 3.12Å
5	G	47.3	Very low	57.8	Low	73 Å²	73	122.4 Å²	122.4	75%	0.753	79%	0.793	S	S	*	*			trans	-61.9	110	172.1	0	0	0	0	0	110	M3 T7	M3-G5 PolarHBondContact O-N 3.44Å; G5-T7 PolarHBondContact O-N 2.93Å; G5-T7 VanDerWaalsContact O-N 3.13Å
6	G	44.2	Very low	59.1	Low	77 Å²	77	122.1 Å²	122.1	79%	0.794	78%	0.777	S	S	*	*			trans	-65.6	106.9	167.5	0	0	0	0	0	109	T4 A8	T4-G6 PolarHBondContact O-N 2.83Å; T4-G6 VanDerWaalsContact O-N 3.12Å; G6-A8 PolarHBondContact O-N 3.22Å; G6-A8 VanDerWaalsContact O-N 3.11Å
7	T	53.4	Low	60.6	Low	139 Å²	139	118.6 Å²	118.6	85%	0.853	75%	0.754	S	S	*	*			trans	-63.6	108.5	162.9	34.9	0	0	0	0	107.4	G5 A9	G5-T7 PolarHBondContact O-N 2.93Å; G5-T7 VanDerWaalsContact O-N 3.13Å; T7-A9 PolarHBondContact O-N 3.26Å
8	A	55.6	Low	61.6	Low	100 Å²	100	120.4 Å²	120.4	83%	0.826	74%	0.744	S	S	*	*			trans	-55.8	111.1	171.2	0	0	0	0	0	108.1	G6 A10	G6-A8 PolarHBondContact O-N 3.22Å; G6-A8 VanDerWaalsContact O-N 3.11Å; A8-A10 PolarHBondContact O-N 2.9Å; A8-A10 VanDerWaalsContact O-N 3.09Å
9	A	57.9	Low	62.4	Low	96 Å²	96	118.7 Å²	118.7	79%	0.793	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-59.2	116.5	173.4	0	0	0	0	0	107.7	T7 L11	T7-A9 PolarHBondContact O-N 3.26Å; A9-L11 PolarHBondContact O-N 3.13Å
10	A	62.8	Low	63.4	Low	95 Å²	95	121.3 Å²	121.3	79%	0.785	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-56.5	116.7	176.2	0	0	0	0	0	108.4	A8	A8-A10 PolarHBondContact O-N 2.9Å; A8-A10 VanDerWaalsContact O-N 3.09Å
11	L	62.7	Low	64.5	Low	157 Å²	157	119.8 Å²	119.8	82%	0.822	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-53.4	128.2	173.5	-76.9	161.4	0	0	0	108.2	A9 M13	A9-L11 PolarHBondContact O-N 3.13Å; L11-M13 PolarHBondContact O-N 2.84Å
12	P	70.2	Confident	66.2	Low	123 Å²	123	111.3 Å²	111.3	80%	0.799	68%	0.676	S	S	*	*			trans	-61.7	115	-179.6	22.3	-30	0	0	0	108.8	S14	P12-S14 PolarHBondContact O-N 3.36Å
13	M	77.2	Confident	68.1	Low	124 Å²	124	109.1 Å²	109.1	61%	0.611	65%	0.653	S	S	*	*			trans	-62.6	129.5	178.1	-64.2	-153.4	-49.6	0	0	109.6	L11 R18	L11-M13 PolarHBondContact O-N 2.84Å; M13-R18 HydrophobicContact CB-CG 4.36Å; M13-R18 HydrophobicContact CE-CG 3.85Å
14	S	83.8	Confident	70.1	Confident	60 Å²	60	102.5 Å²	102.5	42%	0.42	63%	0.629	S	S	.	*			trans	-63.3	150	176.7	73.1	0	0	0	0	111	P12 H16 T17 R18	P12-S14 PolarHBondContact O-N 3.36Å; S14-H16 PolarHBondContact O-N 3.33Å; S14-T17 PolarHBondContact O-N 3.43Å; S14-T17 VanDerWaalsContact O-N 3.07Å; S14-T17 PolarHBondContact OG-N 2.98Å; S14-T17 PolarHBondContact OG-OG1 2.99Å; S14-T17 VanDerWaalsContact OG-OG1 3.07Å; S14-R18 PolarHBondContact O-N 3.32Å; S14-R18 VanDerWaalsContact O-N 3.08Å
15	N	77.4	Confident	72	Confident	115 Å²	115	102 Å²	102	62%	0.615	62%	0.615	S	S	*	*	H	α-helix	trans	-56.8	-36.4	174.5	-73.6	-16.8	0	0	0	111.5	T17 R18 E19	N15-T17 PolarHBondContact O-N 3.38Å; N15-R18 PolarHBondContact O-N 3.45Å; N15-E19 WeakPolarHBondContact O-CG 3.41Å; N15-E19 PolarHBondContact O-N 3.26Å
16	H	78.9	Confident	73.5	Confident	118 Å²	118	101.5 Å²	101.5	55%	0.546	60%	0.595	S	S	.	*	H	α-helix	trans	-57	-47.2	173.8	-179.2	74.4	0	0	0	112.7	S14 E19 R20	S14-H16 PolarHBondContact O-N 3.33Å; H16-E19 PolarHBondContact O-N 3.07Å; H16-R20 WeakPolarHBondContact NE2-CD 3.26Å; H16-R20 WeakPolarHBondContact O-CG 3.41Å; H16-R20 PolarHBondContact O-N 3.38Å
17	T	83.9	Confident	75.2	Confident	62 Å²	62	101.1 Å²	101.1	38%	0.38	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-39.7	178.3	-58.7	0	0	0	0	111.2	S14 N15 R20 V21	S14-T17 PolarHBondContact O-N 3.43Å; S14-T17 VanDerWaalsContact O-N 3.07Å; S14-T17 PolarHBondContact OG-N 2.98Å; S14-T17 PolarHBondContact OG-OG1 2.99Å; S14-T17 VanDerWaalsContact OG-OG1 3.07Å; N15-T17 PolarHBondContact O-N 3.38Å; T17-R20 PolarHBondContact O-N 2.96Å; T17-V21 WeakPolarHBondContact O-CG2 3.37Å; T17-V21 PolarHBondContact O-N 2.9Å
18	R	79.1	Confident	76.8	Confident	151 Å²	151	98.5 Å²	98.5	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-60.7	-45.9	175.6	-70	176.5	68	163.2	0.8	111.9	M13 S14 N15 V21 T22	M13-R18 HydrophobicContact CB-CG 4.36Å; M13-R18 HydrophobicContact CE-CG 3.85Å; S14-R18 PolarHBondContact O-N 3.32Å; S14-R18 VanDerWaalsContact O-N 3.08Å; N15-R18 PolarHBondContact O-N 3.45Å; R18-V21 PolarHBondContact O-N 3.35Å; R18-T22 PolarHBondContact O-N 3.43Å; R18-T22 PolarHBondContact O-OG1 2.76Å
19	E	76.1	Confident	78.2	Confident	88 Å²	88	98.4 Å²	98.4	41%	0.411	54%	0.543	S	S	.	.	H	α-helix	trans	-61	-45.9	176.2	-75.6	171	-169	0	0	111.8	N15 H16 V21 T22 V23	N15-E19 WeakPolarHBondContact O-CG 3.41Å; N15-E19 PolarHBondContact O-N 3.26Å; H16-E19 PolarHBondContact O-N 3.07Å; E19-V21 VanDerWaalsContact C-N 3.33Å; E19-V21 PolarHBondContact O-N 2.96Å; E19-T22 PolarHBondContact O-N 3.44Å; E19-V23 WeakPolarHBondContact O-CG2 3.36Å; E19-V23 PolarHBondContact O-N 3.5Å
20	R	83.3	Confident	79.2	Confident	171 Å²	171	96 Å²	96	65%	0.645	52%	0.517	S	S	*	.	H	α-helix	trans	-61.8	-39.2	178	-73.9	-163.1	68.7	-177.4	0.7	112.9	H16 T17 V23 A24	H16-R20 WeakPolarHBondContact NE2-CD 3.26Å; H16-R20 WeakPolarHBondContact O-CG 3.41Å; H16-R20 PolarHBondContact O-N 3.38Å; T17-R20 PolarHBondContact O-N 2.96Å; R20-V23 PolarHBondContact O-N 2.89Å; R20-A24 VanDerWaalsContact O-CB 3.3Å; R20-A24 WeakPolarHBondContact O-CB 3.32Å; R20-A24 PolarHBondContact O-N 3.33Å
21	V	86.4	Confident	80.2	Confident	89 Å²	89	97.1 Å²	97.1	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-43.8	174.8	171.3	0	0	0	0	110.6	T17 R18 E19 A24 K25	T17-V21 WeakPolarHBondContact O-CG2 3.37Å; T17-V21 PolarHBondContact O-N 2.9Å; R18-V21 PolarHBondContact O-N 3.35Å; E19-V21 VanDerWaalsContact C-N 3.33Å; E19-V21 PolarHBondContact O-N 2.96Å; V21-A24 PolarHBondContact O-N 3.2Å; V21-K25 WeakPolarHBondContact O-CB 3.33Å; V21-K25 PolarHBondContact O-N 2.97Å
22	T	79.5	Confident	81.4	Confident	74 Å²	74	96.3 Å²	96.3	45%	0.454	49%	0.491	S	S	.	.	H	α-helix	trans	-60	-47	175.5	-64.2	0	0	0	0	111.4	R18 E19 A24 K25 L26	R18-T22 PolarHBondContact O-N 3.43Å; R18-T22 PolarHBondContact O-OG1 2.76Å; E19-T22 PolarHBondContact O-N 3.44Å; T22-A24 PolarHBondContact O-N 2.78Å; T22-K25 PolarHBondContact O-N 2.99Å; T22-L26 HydrophobicContact CG2-CD1 3.94Å; T22-L26 HydrophobicContact CG2-CG 4.44Å; T22-L26 WeakPolarHBondContact O-CB 3.46Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.3Å; T22-L26 PolarHBondContact O-N 3.21Å
23	V	79.6	Confident	82	Confident	51 Å²	51	93.8 Å²	93.8	31%	0.309	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-44.8	177.2	173.1	0	0	0	0	111.3	E19 R20 L26 T27 W435	E19-V23 WeakPolarHBondContact O-CG2 3.36Å; E19-V23 PolarHBondContact O-N 3.5Å; R20-V23 PolarHBondContact O-N 2.89Å; V23-L26 PolarHBondContact O-N 2.94Å; V23-T27 VanDerWaalsContact O-CB 3.31Å; V23-T27 WeakPolarHBondContact O-CB 3.45Å; V23-T27 PolarHBondContact O-N 3.49Å; V23-T27 PolarHBondContact O-OG1 2.59Å; V23-W435 HydrophobicContact CG2-CB 3.92Å; V23-W435 HydrophobicContact CG2-CG 4.4Å
24	A	85.6	Confident	82.1	Confident	53 Å²	53	90.3 Å²	90.3	44%	0.438	46%	0.462	S	S	.	.	H	α-helix	trans	-61.7	-46.1	178.5	0	0	0	0	0	111.6	R20 V21 T22 T27 V28	R20-A24 VanDerWaalsContact O-CB 3.3Å; R20-A24 WeakPolarHBondContact O-CB 3.32Å; R20-A24 PolarHBondContact O-N 3.33Å; V21-A24 PolarHBondContact O-N 3.2Å; T22-A24 PolarHBondContact O-N 2.78Å; A24-T27 PolarHBondContact O-N 3.38Å; A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 3.06Å
25	K	86.4	Confident	82.2	Confident	127 Å²	127	91.5 Å²	91.5	55%	0.552	46%	0.463	S	S	*	.	H	α-helix	trans	-57.4	-54	176	179.7	178.9	173.2	-179.6	0	111.2	V21 T22 T27 V28 E29	V21-K25 WeakPolarHBondContact O-CB 3.33Å; V21-K25 PolarHBondContact O-N 2.97Å; T22-K25 PolarHBondContact O-N 2.99Å; K25-T27 VanDerWaalsContact C-N 3.25Å; K25-T27 PolarHBondContact O-N 3.35Å; K25-V28 PolarHBondContact O-N 2.87Å; K25-E29 WeakPolarHBondContact CE-OE1 3.3Å; K25-E29 HydrophobicContact CG-CG 4.42Å; K25-E29 IonicContact NZ-OE1 3.52Å; K25-E29 WeakPolarHBondContact O-CG 3.5Å; K25-E29 PolarHBondContact O-N 3.43Å
26	L	79	Confident	82.7	Confident	62 Å²	62	91.3 Å²	91.3	33%	0.325	46%	0.462	S	S	.	.	H	α-helix	trans	-59.2	-37.4	179.2	-71.4	173.2	0	0	0	112.2	T22 V23 N30 W435 L438	T22-L26 HydrophobicContact CG2-CD1 3.94Å; T22-L26 HydrophobicContact CG2-CG 4.44Å; T22-L26 WeakPolarHBondContact O-CB 3.46Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.3Å; T22-L26 PolarHBondContact O-N 3.21Å; V23-L26 PolarHBondContact O-N 2.94Å; L26-N30 WeakPolarHBondContact O-CB 3.43Å; L26-N30 PolarHBondContact O-N 2.94Å; L26-W435 HydrophobicContact CD1-CE3 4.25Å; L26-L438 HydrophobicContact CB-CD2 4.39Å
27	T	79.4	Confident	82.9	Confident	68 Å²	68	88.6 Å²	88.6	42%	0.417	45%	0.453	S	S	.	.	H	α-helix	trans	-65.3	-44.9	178.6	-58.3	0	0	0	0	111.6	V23 A24 K25 F31	V23-T27 VanDerWaalsContact O-CB 3.31Å; V23-T27 WeakPolarHBondContact O-CB 3.45Å; V23-T27 PolarHBondContact O-N 3.49Å; V23-T27 PolarHBondContact O-OG1 2.59Å; A24-T27 PolarHBondContact O-N 3.38Å; K25-T27 VanDerWaalsContact C-N 3.25Å; K25-T27 PolarHBondContact O-N 3.35Å; T27-F31 WeakPolarHBondContact O-CB 3.49Å; T27-F31 PolarHBondContact O-N 2.73Å
28	V	87.6	Confident	82.9	Confident	84 Å²	84	88.5 Å²	88.5	51%	0.509	45%	0.449	S	S	.	.	H	α-helix	trans	-69.4	-46.8	-179.9	173.8	0	0	0	0	111.2	A24 K25 N30 F31 Y32	A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 3.06Å; K25-V28 PolarHBondContact O-N 2.87Å; V28-N30 VanDerWaalsContact C-N 3.29Å; V28-N30 PolarHBondContact O-N 2.9Å; V28-F31 PolarHBondContact O-N 3.07Å; V28-Y32 HydrophobicContact CG1-CD2 4Å; V28-Y32 HydrophobicContact CG1-CE2 4.05Å; V28-Y32 WeakPolarHBondContact O-CD2 3.48Å; V28-Y32 PolarHBondContact O-N 3.1Å
29	E	85.7	Confident	83.2	Confident	99 Å²	99	86.7 Å²	86.7	46%	0.463	45%	0.446	S	S	.	.	H	α-helix	trans	-57	-46.4	176.5	-73.2	175.6	165.3	0	0	110.6	K25 F31 S33	K25-E29 WeakPolarHBondContact CE-OE1 3.3Å; K25-E29 HydrophobicContact CG-CG 4.42Å; K25-E29 IonicContact NZ-OE1 3.52Å; K25-E29 WeakPolarHBondContact O-CG 3.5Å; K25-E29 PolarHBondContact O-N 3.43Å; E29-F31 PolarHBondContact O-N 3.48Å; E29-S33 VanDerWaalsContact O-CB 3.3Å; E29-S33 WeakPolarHBondContact O-CB 3.46Å; E29-S33 PolarHBondContact O-N 3.15Å
30	N	78.6	Confident	83.8	Confident	45 Å²	45	88.1 Å²	88.1	24%	0.241	45%	0.453	C	S	.	.	H	α-helix	trans	-64.4	-40.5	177.8	-178.6	67	0	0	0	113.1	L26 V28 Y32 S33 T34 N439	L26-N30 WeakPolarHBondContact O-CB 3.43Å; L26-N30 PolarHBondContact O-N 2.94Å; V28-N30 VanDerWaalsContact C-N 3.29Å; V28-N30 PolarHBondContact O-N 2.9Å; N30-Y32 PolarHBondContact O-N 3.13Å; N30-S33 PolarHBondContact O-N 3.18Å; N30-T34 WeakPolarHBondContact O-CB 3.41Å; N30-T34 PolarHBondContact O-N 3.41Å; N30-T34 PolarHBondContact O-OG1 3.34Å; N30-T34 PolarHBondContact OD1-OG1 3.11Å; N30-N439 VanDerWaalsContact CG-ND2 3.29Å; N30-N439 PolarHBondContact ND2-OD1 3.23Å; N30-N439 PolarHBondContact OD1-ND2 3.25Å; N30-N439 PolarHBondContact OD1-OD1 2.88Å; N30-N439 VanDerWaalsContact OD1-OD1 3.13Å
31	F	83.8	Confident	83.9	Confident	119 Å²	119	83.7 Å²	83.7	52%	0.522	44%	0.44	S	S	.	.	H	α-helix	trans	-57.6	-50.9	179.4	174.9	-95.3	0	0	0	111.2	T27 V28 E29 L35	T27-F31 WeakPolarHBondContact O-CB 3.49Å; T27-F31 PolarHBondContact O-N 2.73Å; V28-F31 PolarHBondContact O-N 3.07Å; E29-F31 PolarHBondContact O-N 3.48Å; F31-L35 HydrophobicContact CE1-CD2 4.41Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.49Å
32	Y	87.6	Confident	84	Confident	140 Å²	140	84.8 Å²	84.8	55%	0.549	43%	0.434	S	S	.	.	H	α-helix	trans	-71.4	-40	-179.2	-78.2	-73	0	0	0	112.8	V28 N30 T34 L35 L36	V28-Y32 HydrophobicContact CG1-CD2 4Å; V28-Y32 HydrophobicContact CG1-CE2 4.05Å; V28-Y32 WeakPolarHBondContact O-CD2 3.48Å; V28-Y32 PolarHBondContact O-N 3.1Å; N30-Y32 PolarHBondContact O-N 3.13Å; Y32-T34 PolarHBondContact O-N 3.46Å; Y32-L35 HydrophobicContact CD1-CD2 4.49Å; Y32-L35 PolarHBondContact O-N 3.04Å; Y32-L36 WeakPolarHBondContact O-CG 3.3Å; Y32-L36 PolarHBondContact O-N 2.88Å
33	S	82.6	Confident	84.6	Confident	69 Å²	69	84.6 Å²	84.6	48%	0.483	43%	0.428	S	S	.	.	H	α-helix	trans	-58.8	-48.7	174.4	172.6	0	0	0	0	111	E29 N30 L35 L36 T37	E29-S33 VanDerWaalsContact O-CB 3.3Å; E29-S33 WeakPolarHBondContact O-CB 3.46Å; E29-S33 PolarHBondContact O-N 3.15Å; N30-S33 PolarHBondContact O-N 3.18Å; S33-L35 VanDerWaalsContact C-N 3.33Å; S33-L35 PolarHBondContact O-N 3.49Å; S33-L36 PolarHBondContact O-N 3Å; S33-T37 PolarHBondContact O-N 3.34Å; S33-T37 PolarHBondContact O-OG1 2.94Å; S33-T37 VanDerWaalsContact O-OG1 3.11Å
34	T	80.4	Confident	85	Confident	51 Å²	51	86.4 Å²	86.4	31%	0.313	44%	0.439	S	S	.	.	H	α-helix	trans	-61	-42.3	176.8	-61.3	0	0	0	0	111.3	N30 Y32 L36 T37 Q38	N30-T34 WeakPolarHBondContact O-CB 3.41Å; N30-T34 PolarHBondContact O-N 3.41Å; N30-T34 PolarHBondContact O-OG1 3.34Å; N30-T34 PolarHBondContact OD1-OG1 3.11Å; Y32-T34 PolarHBondContact O-N 3.46Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.47Å; T34-T37 PolarHBondContact O-N 2.96Å; T34-Q38 HydrophobicContact CG2-CG 4.21Å; T34-Q38 WeakPolarHBondContact O-CB 3.15Å; T34-Q38 WeakPolarHBondContact O-CG 3.07Å; T34-Q38 PolarHBondContact O-N 3.02Å
35	L	85.1	Confident	85.3	Confident	86 Å²	86	86.1 Å²	86.1	45%	0.45	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-42.6	179.8	-175.1	68.2	0	0	0	112	F31 Y32 S33 H39	F31-L35 HydrophobicContact CE1-CD2 4.41Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.49Å; Y32-L35 HydrophobicContact CD1-CD2 4.49Å; Y32-L35 PolarHBondContact O-N 3.04Å; S33-L35 VanDerWaalsContact C-N 3.33Å; S33-L35 PolarHBondContact O-N 3.49Å; L35-H39 PolarHBondContact O-N 3.26Å
36	L	87.3	Confident	85.5	Confident	111 Å²	111	84.3 Å²	84.3	58%	0.581	42%	0.42	S	S	*	.	H	α-helix	trans	-65.4	-51.6	177.5	-71.5	170.3	0	0	0	111.4	Y32 S33 T34 Q38 H39 E40	Y32-L36 WeakPolarHBondContact O-CG 3.3Å; Y32-L36 PolarHBondContact O-N 2.88Å; S33-L36 PolarHBondContact O-N 3Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.47Å; L36-Q38 PolarHBondContact O-N 3.5Å; L36-H39 WeakPolarHBondContact O-CB 3.13Å; L36-H39 PolarHBondContact O-N 2.69Å; L36-E40 PolarHBondContact O-N 3.23Å
37	T	83.8	Confident	86.1	Confident	60 Å²	60	88.1 Å²	88.1	37%	0.368	43%	0.434	S	S	.	.	H	α-helix	trans	-56.5	-41.2	177.8	-56.2	0	0	0	0	111.3	S33 T34 H39 E40 E41	S33-T37 PolarHBondContact O-N 3.34Å; S33-T37 PolarHBondContact O-OG1 2.94Å; S33-T37 VanDerWaalsContact O-OG1 3.11Å; T34-T37 PolarHBondContact O-N 2.96Å; T37-H39 VanDerWaalsContact C-N 3.31Å; T37-H39 PolarHBondContact O-N 3.4Å; T37-E40 PolarHBondContact O-N 2.86Å; T37-E41 HydrophobicContact CG2-CG 4.29Å; T37-E41 WeakPolarHBondContact O-CB 3.46Å; T37-E41 VanDerWaalsContact O-CG 3.27Å; T37-E41 WeakPolarHBondContact O-CG 3.38Å; T37-E41 PolarHBondContact O-N 3.24Å
38	Q	83.2	Confident	86.7	Confident	61 Å²	61	92.1 Å²	92.1	29%	0.285	45%	0.446	S	S	.	.	H	α-helix	trans	-63.6	-35.4	177.6	-74.3	-179.1	11.8	0	0	113.7	T34 L36 R42 K81	T34-Q38 HydrophobicContact CG2-CG 4.21Å; T34-Q38 WeakPolarHBondContact O-CB 3.15Å; T34-Q38 WeakPolarHBondContact O-CG 3.07Å; T34-Q38 PolarHBondContact O-N 3.02Å; L36-Q38 PolarHBondContact O-N 3.5Å; Q38-R42 WeakPolarHBondContact O-CB 3.49Å; Q38-R42 PolarHBondContact O-N 2.94Å; Q38-K81 VanDerWaalsContact CD-NZ 3.26Å; Q38-K81 VanDerWaalsContact CG-NZ 3.32Å
39	H	87.1	Confident	86.8	Confident	112 Å²	112	89.3 Å²	89.3	52%	0.519	43%	0.428	S	S	.	.	H	α-helix	trans	-68.5	-47.8	175.5	179.1	54.9	0	0	0	110.7	L35 L36 T37 E41 R42 E43	L35-H39 PolarHBondContact O-N 3.26Å; L36-H39 WeakPolarHBondContact O-CB 3.13Å; L36-H39 PolarHBondContact O-N 2.69Å; T37-H39 VanDerWaalsContact C-N 3.31Å; T37-H39 PolarHBondContact O-N 3.4Å; H39-E41 PolarHBondContact O-N 3.18Å; H39-R42 PolarHBondContact O-N 2.88Å; H39-E43 IonicContact CE1-OE1 3.76Å; H39-E43 WeakPolarHBondContact O-CG 3.43Å; H39-E43 PolarHBondContact O-N 3.39Å
40	E	88.4	Confident	87.1	Confident	119 Å²	119	86.7 Å²	86.7	56%	0.556	42%	0.416	S	S	*	.	H	α-helix	trans	-59.8	-44.5	177.7	-69.3	173.7	172.1	0	0	112.5	L36 T37 R42 E43 T44	L36-E40 PolarHBondContact O-N 3.23Å; T37-E40 PolarHBondContact O-N 2.86Å; E40-R42 VanDerWaalsContact C-N 3.3Å; E40-R42 PolarHBondContact O-N 3.29Å; E40-E43 PolarHBondContact O-N 2.57Å; E40-T44 WeakPolarHBondContact O-CB 3.4Å; E40-T44 PolarHBondContact O-N 2.8Å; E40-T44 PolarHBondContact O-OG1 3.37Å
41	E	85.6	Confident	87.8	Confident	78 Å²	78	90.9 Å²	90.9	36%	0.364	43%	0.432	S	S	.	.	H	α-helix	trans	-59.7	-41	176	-78.5	178.3	-176.1	0	0	112	T37 H39 T44 R45	T37-E41 HydrophobicContact CG2-CG 4.29Å; T37-E41 WeakPolarHBondContact O-CB 3.46Å; T37-E41 VanDerWaalsContact O-CG 3.27Å; T37-E41 WeakPolarHBondContact O-CG 3.38Å; T37-E41 PolarHBondContact O-N 3.24Å; H39-E41 PolarHBondContact O-N 3.18Å; E41-T44 PolarHBondContact O-N 2.67Å; E41-R45 WeakPolarHBondContact O-CG 3.19Å; E41-R45 PolarHBondContact O-N 3.33Å; E41-R45 IonicContact OE2-NH1 3.46Å
42	R	87.6	Confident	88.2	Confident	111 Å²	111	87.7 Å²	87.7	42%	0.419	42%	0.422	S	S	.	.	H	α-helix	trans	-67.3	-45.8	179.5	-178.8	177.2	177.1	-162.8	-2.2	111.5	Q38 H39 E40 T44 R45 Q46	Q38-R42 WeakPolarHBondContact O-CB 3.49Å; Q38-R42 PolarHBondContact O-N 2.94Å; H39-R42 PolarHBondContact O-N 2.88Å; E40-R42 VanDerWaalsContact C-N 3.3Å; E40-R42 PolarHBondContact O-N 3.29Å; R42-T44 VanDerWaalsContact C-N 3.29Å; R42-T44 PolarHBondContact O-N 2.8Å; R42-R45 PolarHBondContact O-N 2.86Å; R42-Q46 PolarHBondContact O-N 2.66Å
43	E	91.2	Very high	88.4	Confident	71 Å²	71	81 Å²	81	33%	0.332	40%	0.396	S	S	.	.	H	α-helix	trans	-59.2	-42.9	173.9	-73	-65.8	127.9	0	0	111.1	H39 E40 Q46 K47	H39-E43 IonicContact CE1-OE1 3.76Å; H39-E43 WeakPolarHBondContact O-CG 3.43Å; H39-E43 PolarHBondContact O-N 3.39Å; E40-E43 PolarHBondContact O-N 2.57Å; E43-Q46 PolarHBondContact O-N 2.85Å; E43-K47 WeakPolarHBondContact O-CG 3.42Å; E43-K47 PolarHBondContact O-N 3.14Å
44	T	89.9	Confident	88.8	Confident	88 Å²	88	82.1 Å²	82.1	54%	0.54	40%	0.396	S	S	.	.	H	α-helix	trans	-64.5	-44	179	-58.1	0	0	0	0	111.7	E40 E41 R42 Q46 K47 K48	E40-T44 WeakPolarHBondContact O-CB 3.4Å; E40-T44 PolarHBondContact O-N 2.8Å; E40-T44 PolarHBondContact O-OG1 3.37Å; E41-T44 PolarHBondContact O-N 2.67Å; R42-T44 VanDerWaalsContact C-N 3.29Å; R42-T44 PolarHBondContact O-N 2.8Å; T44-Q46 VanDerWaalsContact C-N 3.34Å; T44-Q46 PolarHBondContact O-N 3.43Å; T44-K47 PolarHBondContact O-N 3.19Å; T44-K48 WeakPolarHBondContact O-CB 3.29Å; T44-K48 PolarHBondContact O-N 2.81Å
45	R	90.6	Very high	89.4	Confident	47 Å²	47	85.4 Å²	85.4	18%	0.177	41%	0.412	C	S	.	.	H	α-helix	trans	-61.5	-41.8	174.9	-76	-171.3	-62.4	-86.2	-3.2	112	E41 R42 K48 L49 E74	E41-R45 WeakPolarHBondContact O-CG 3.19Å; E41-R45 PolarHBondContact O-N 3.33Å; E41-R45 IonicContact OE2-NH1 3.46Å; R42-R45 PolarHBondContact O-N 2.86Å; R45-K48 PolarHBondContact O-N 2.77Å; R45-L49 PolarHBondContact O-N 2.88Å; R45-E74 IonicContact CZ-OE1 2.8Å; R45-E74 IonicContact NE-OE1 3.13Å; R45-E74 PolarHBondContact NE-OE1 2.8Å; R45-E74 IonicContact NH2-OE1 2.67Å; R45-E74 PolarHBondContact NH2-OE1 2.78Å; R45-E74 IonicContact NH2-OE2 3.31Å; R45-E74 PolarHBondContact NH2-OE2 2.9Å
46	Q	90.5	Very high	89.7	Confident	89 Å²	89	86.1 Å²	86.1	42%	0.416	41%	0.413	S	S	.	.	H	α-helix	trans	-62.3	-48.1	175.9	-177	173.3	-6	0	0	111.5	R42 E43 T44 K48 L49 E50	R42-Q46 PolarHBondContact O-N 2.66Å; E43-Q46 PolarHBondContact O-N 2.85Å; T44-Q46 VanDerWaalsContact C-N 3.34Å; T44-Q46 PolarHBondContact O-N 3.43Å; Q46-K48 VanDerWaalsContact C-N 3.3Å; Q46-K48 PolarHBondContact O-N 3.49Å; Q46-L49 WeakPolarHBondContact O-CB 3.48Å; Q46-L49 PolarHBondContact O-N 2.79Å; Q46-L49 VanDerWaalsContact O-N 3.16Å; Q46-E50 WeakPolarHBondContact O-CG 3.45Å; Q46-E50 PolarHBondContact O-N 3.02Å
47	K	92.9	Very high	89.9	Confident	142 Å²	142	83.6 Å²	83.6	62%	0.617	41%	0.414	S	S	*	.	H	α-helix	trans	-58.6	-41.1	176.2	-72.3	172.8	-175.4	175.7	0	112.3	E43 T44 E50 K51	E43-K47 WeakPolarHBondContact O-CG 3.42Å; E43-K47 PolarHBondContact O-N 3.14Å; T44-K47 PolarHBondContact O-N 3.19Å; K47-E50 PolarHBondContact O-N 3.2Å; K47-K51 PolarHBondContact O-N 3.04Å
48	K	90.8	Very high	90.2	Very high	153 Å²	153	81.9 Å²	81.9	67%	0.665	40%	0.402	S	S	*	.	H	α-helix	trans	-64.2	-40.8	176.9	-169.2	175	-177	176.7	0	111.7	T44 R45 Q46 K51 V52	T44-K48 WeakPolarHBondContact O-CB 3.29Å; T44-K48 PolarHBondContact O-N 2.81Å; R45-K48 PolarHBondContact O-N 2.77Å; Q46-K48 VanDerWaalsContact C-N 3.3Å; Q46-K48 PolarHBondContact O-N 3.49Å; K48-K51 PolarHBondContact O-N 3.26Å; K48-V52 VanDerWaalsContact O-CG2 3.31Å; K48-V52 WeakPolarHBondContact O-CG2 3.45Å; K48-V52 PolarHBondContact O-N 3.31Å
49	L	90.5	Very high	90.7	Very high	25 Å²	25	84.2 Å²	84.2	13%	0.131	42%	0.415	C	S	.	.	H	α-helix	trans	-60.2	-49.4	174.6	177.5	70.8	0	0	0	111.3	R45 Q46 K51 V52 M53 R67 H70	R45-L49 PolarHBondContact O-N 2.88Å; Q46-L49 WeakPolarHBondContact O-CB 3.48Å; Q46-L49 PolarHBondContact O-N 2.79Å; Q46-L49 VanDerWaalsContact O-N 3.16Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 3.21Å; L49-V52 PolarHBondContact O-N 3.26Å; L49-M53 HydrophobicContact CD1-CG 4.31Å; L49-M53 HydrophobicContact CD1-SD 4.31Å; L49-M53 HydrophobicContact CD2-CE 4.39Å; L49-M53 HydrophobicContact CG-CE 4Å; L49-M53 HydrophobicContact CG-CG 4.44Å; L49-M53 HydrophobicContact CG-SD 4.15Å; L49-M53 VanDerWaalsContact O-CG 3.3Å; L49-M53 WeakPolarHBondContact O-CG 3.49Å; L49-M53 PolarHBondContact O-N 2.86Å; L49-R67 HydrophobicContact CD2-CG 4.5Å; L49-H70 HydrophobicContact CD2-CB 3.46Å; L49-H70 VanDerWaalsContact CD2-CB 3.46Å
50	E	92.7	Very high	90.9	Very high	43 Å²	43	85 Å²	85	20%	0.201	42%	0.423	C	S	.	.	H	α-helix	trans	-58.3	-47.8	178.9	-63.9	-58.7	150.9	0	0	111.2	Q46 K47 V52 M53 D54 R67	Q46-E50 WeakPolarHBondContact O-CG 3.45Å; Q46-E50 PolarHBondContact O-N 3.02Å; K47-E50 PolarHBondContact O-N 3.2Å; E50-V52 PolarHBondContact O-N 3.13Å; E50-M53 VanDerWaalsContact CD-CE 3.4Å; E50-M53 HydrophobicContact CG-CE 4.41Å; E50-M53 PolarHBondContact O-N 2.85Å; E50-M53 WeakPolarHBondContact OE1-CE 3.37Å; E50-M53 WeakPolarHBondContact OE2-CE 3.46Å; E50-D54 PolarHBondContact O-N 3.35Å; E50-R67 IonicContact OE1-CZ 3.88Å; E50-R67 IonicContact OE1-NE 3.74Å; E50-R67 PolarHBondContact OE1-NE 3.39Å; E50-R67 IonicContact OE1-NH2 3.69Å; E50-R67 IonicContact OE2-CZ 3.88Å; E50-R67 IonicContact OE2-NE 2.69Å; E50-R67 PolarHBondContact OE2-NE 3.45Å; E50-R67 IonicContact OE2-NH2 3.38Å; E50-R67 PolarHBondContact OE2-NH2 3.48Å
51	K	92.9	Very high	91.1	Very high	134 Å²	134	86.6 Å²	86.6	58%	0.583	43%	0.431	S	S	*	.	H	α-helix	trans	-57.5	-47.3	176.9	-173.9	179.5	177.1	-176.3	0	112.5	K47 K48 L49 M53 D54 D55	K47-K51 PolarHBondContact O-N 3.04Å; K48-K51 PolarHBondContact O-N 3.26Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 3.21Å; K51-M53 VanDerWaalsContact C-N 3.34Å; K51-M53 PolarHBondContact O-N 3.14Å; K51-D54 PolarHBondContact O-N 3.46Å; K51-D55 WeakPolarHBondContact O-CB 3.31Å; K51-D55 PolarHBondContact O-N 3.35Å
52	V	90.8	Very high	91.3	Very high	51 Å²	51	87.3 Å²	87.3	31%	0.309	43%	0.434	S	S	.	.	H	α-helix	trans	-62.6	-41.4	178.7	169.6	0	0	0	0	111.4	K48 L49 E50 D54 D55 E56	K48-V52 VanDerWaalsContact O-CG2 3.31Å; K48-V52 WeakPolarHBondContact O-CG2 3.45Å; K48-V52 PolarHBondContact O-N 3.31Å; L49-V52 PolarHBondContact O-N 3.26Å; E50-V52 PolarHBondContact O-N 3.13Å; V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 2.84Å; V52-D55 PolarHBondContact O-N 2.71Å; V52-E56 HydrophobicContact CG1-CG 4.36Å; V52-E56 WeakPolarHBondContact CG1-OE1 3.47Å; V52-E56 WeakPolarHBondContact O-CB 3.45Å; V52-E56 WeakPolarHBondContact O-CG 3.42Å; V52-E56 PolarHBondContact O-N 3.12Å
53	M	92.7	Very high	91.5	Very high	0 Å²	0	83.5 Å²	83.5	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-66.6	-32.3	177.7	-68.2	-173.5	-54.9	0	0	112.7	L49 E50 K51 G57 L58 K63 R66 R67	L49-M53 HydrophobicContact CD1-CG 4.31Å; L49-M53 HydrophobicContact CD1-SD 4.31Å; L49-M53 HydrophobicContact CD2-CE 4.39Å; L49-M53 HydrophobicContact CG-CE 4Å; L49-M53 HydrophobicContact CG-CG 4.44Å; L49-M53 HydrophobicContact CG-SD 4.15Å; L49-M53 VanDerWaalsContact O-CG 3.3Å; L49-M53 WeakPolarHBondContact O-CG 3.49Å; L49-M53 PolarHBondContact O-N 2.86Å; E50-M53 VanDerWaalsContact CD-CE 3.4Å; E50-M53 HydrophobicContact CG-CE 4.41Å; E50-M53 PolarHBondContact O-N 2.85Å; E50-M53 WeakPolarHBondContact OE1-CE 3.37Å; E50-M53 WeakPolarHBondContact OE2-CE 3.46Å; K51-M53 VanDerWaalsContact C-N 3.34Å; K51-M53 PolarHBondContact O-N 3.14Å; M53-G57 PolarHBondContact O-N 2.91Å; M53-L58 HydrophobicContact CB-CD1 4.05Å; M53-L58 HydrophobicContact CG-CD1 3.88Å; M53-L58 PolarHBondContact O-N 3.27Å; M53-K63 HydrophobicContact CB-CG 4.25Å; M53-K63 HydrophobicContact SD-CB 4.17Å; M53-K63 HydrophobicContact SD-CG 4.25Å; M53-R66 HydrophobicContact CG-CB 4.32Å; M53-R66 HydrophobicContact SD-CB 3.41Å; M53-R66 WeakPolarHBondContact SD-CB 3.41Å; M53-R66 HydrophobicContact SD-CG 4.15Å; M53-R67 HydrophobicContact CE-CG 3.92Å; M53-R67 HydrophobicContact SD-CG 4.46Å
54	D	91.3	Very high	91.6	Very high	92 Å²	92	84.2 Å²	84.2	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-73.7	-44.3	175.1	-70.1	-21.7	0	0	0	111.4	E50 K51 V52 E56 G57 K63	E50-D54 PolarHBondContact O-N 3.35Å; K51-D54 PolarHBondContact O-N 3.46Å; V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 2.84Å; D54-E56 VanDerWaalsContact C-N 3.32Å; D54-E56 PolarHBondContact O-N 3.16Å; D54-G57 PolarHBondContact O-N 3.26Å; D54-K63 IonicContact OD1-NZ 3.23Å; D54-K63 PolarHBondContact OD1-NZ 3.46Å
55	D	92.5	Very high	91.6	Very high	121 Å²	121	85.5 Å²	85.5	65%	0.647	43%	0.431	S	S	*	.	H	α-helix	trans	-63.6	-36.2	177.1	-68.7	-18.5	0	0	0	111.6	K51 V52 G57	K51-D55 WeakPolarHBondContact O-CB 3.31Å; K51-D55 PolarHBondContact O-N 3.35Å; V52-D55 PolarHBondContact O-N 2.71Å; D55-G57 PolarHBondContact O-N 3.12Å
56	E	92.3	Very high	91.5	Very high	100 Å²	100	87.1 Å²	87.1	47%	0.467	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.8	173.4	-74.2	176.7	-175.5	0	0	113	V52 D54 L58 R66	V52-E56 HydrophobicContact CG1-CG 4.36Å; V52-E56 WeakPolarHBondContact CG1-OE1 3.47Å; V52-E56 WeakPolarHBondContact O-CB 3.45Å; V52-E56 WeakPolarHBondContact O-CG 3.42Å; V52-E56 PolarHBondContact O-N 3.12Å; D54-E56 VanDerWaalsContact C-N 3.32Å; D54-E56 PolarHBondContact O-N 3.16Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 HydrophobicContact CB-CD2 3.85Å; E56-L58 HydrophobicContact CB-CG 3.86Å; E56-L58 PolarHBondContact O-N 3.11Å; E56-R66 IonicContact OE1-NH2 3.73Å; E56-R66 IonicContact OE2-CZ 2.59Å; E56-R66 IonicContact OE2-NH1 3.02Å; E56-R66 IonicContact OE2-NH2 3.74Å; E56-R66 PolarHBondContact OE2-NH2 3.43Å
57	G	90.6	Very high	91.6	Very high	58 Å²	58	87.7 Å²	87.7	60%	0.598	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	30.6	179.8	0	0	0	0	0	114.2	M53 D54 D55	M53-G57 PolarHBondContact O-N 2.91Å; D54-G57 PolarHBondContact O-N 3.26Å; D55-G57 PolarHBondContact O-N 3.12Å
58	L	90.9	Very high	91.5	Very high	24 Å²	24	84.5 Å²	84.5	13%	0.126	43%	0.431	C	S	.	.			trans	-63.4	147.8	-174.6	-58.1	-175.9	0	0	0	112.1	M53 E56 E62 K63 R66	M53-L58 HydrophobicContact CB-CD1 4.05Å; M53-L58 HydrophobicContact CG-CD1 3.88Å; M53-L58 PolarHBondContact O-N 3.27Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 HydrophobicContact CB-CD2 3.85Å; E56-L58 HydrophobicContact CB-CG 3.86Å; E56-L58 PolarHBondContact O-N 3.11Å; L58-E62 HydrophobicContact CB-CB 4.38Å; L58-E62 HydrophobicContact CD1-CG 4.31Å; L58-K63 HydrophobicContact CB-CG 3.98Å; L58-K63 WeakPolarHBondContact O-CE 3.36Å; L58-R66 HydrophobicContact CD1-CG 4.23Å
59	I	92.8	Very high	91.4	Very high	110 Å²	110	81.6 Å²	81.6	56%	0.564	42%	0.42	S	S	*	.			trans	-75	158.7	173.4	61.6	170.7	0	0	0	111.5	E61 E62 K63	I59-E61 VanDerWaalsContact C-N 3.3Å; I59-E61 PolarHBondContact O-N 3.31Å; I59-E62 HydrophobicContact CG1-CB 3.98Å; I59-E62 PolarHBondContact O-N 3Å; I59-K63 PolarHBondContact O-N 2.9Å
60	D	91.4	Very high	91.2	Very high	128 Å²	128	82 Å²	82	68%	0.684	42%	0.421	S	S	*	.	H	α-helix	trans	-56.5	-39.6	-173.3	-75.3	-25.4	0	0	0	113.9	E62 K63 V64	D60-E62 VanDerWaalsContact C-N 3.31Å; D60-E62 PolarHBondContact O-N 2.99Å; D60-K63 PolarHBondContact O-N 3.48Å; D60-V64 WeakPolarHBondContact O-CG2 3.47Å; D60-V64 PolarHBondContact O-N 2.83Å
61	E	92.8	Very high	91	Very high	154 Å²	154	82.4 Å²	82.4	72%	0.72	43%	0.432	S	S	*	.	H	α-helix	trans	-60.9	-41.6	176.6	-67.6	-173.8	173.3	0	0	111.8	I59 V64 M65	I59-E61 VanDerWaalsContact C-N 3.3Å; I59-E61 PolarHBondContact O-N 3.31Å; E61-V64 PolarHBondContact O-N 3.46Å; E61-M65 WeakPolarHBondContact O-CG 3.49Å; E61-M65 PolarHBondContact O-N 3.44Å; E61-M65 VanDerWaalsContact O-N 3.07Å
62	E	90.5	Very high	90.8	Very high	92 Å²	92	83.9 Å²	83.9	43%	0.43	43%	0.434	S	S	.	.	H	α-helix	trans	-72.8	-36.5	-179.8	-162.6	169.1	-168.9	0	0	111.6	L58 I59 D60 V64 M65 R66	L58-E62 HydrophobicContact CB-CB 4.38Å; L58-E62 HydrophobicContact CD1-CG 4.31Å; I59-E62 HydrophobicContact CG1-CB 3.98Å; I59-E62 PolarHBondContact O-N 3Å; D60-E62 VanDerWaalsContact C-N 3.31Å; D60-E62 PolarHBondContact O-N 2.99Å; E62-V64 PolarHBondContact O-N 3.2Å; E62-M65 PolarHBondContact O-N 3.45Å; E62-R66 PolarHBondContact O-N 3.39Å
63	K	91.3	Very high	90.5	Very high	31 Å²	31	85.4 Å²	85.4	14%	0.135	44%	0.436	C	S	.	.	H	α-helix	trans	-59.5	-45.1	170.5	-67.7	-170.6	179	-177.9	0	111.5	M53 D54 L58 I59 D60 M65 R66 R67	M53-K63 HydrophobicContact CB-CG 4.25Å; M53-K63 HydrophobicContact SD-CB 4.17Å; M53-K63 HydrophobicContact SD-CG 4.25Å; D54-K63 IonicContact OD1-NZ 3.23Å; D54-K63 PolarHBondContact OD1-NZ 3.46Å; L58-K63 HydrophobicContact CB-CG 3.98Å; L58-K63 WeakPolarHBondContact O-CE 3.36Å; I59-K63 PolarHBondContact O-N 2.9Å; D60-K63 PolarHBondContact O-N 3.48Å; K63-M65 VanDerWaalsContact C-N 3.33Å; K63-M65 PolarHBondContact O-N 3.4Å; K63-R66 PolarHBondContact O-N 3.3Å; K63-R67 WeakPolarHBondContact O-CB 3.49Å; K63-R67 VanDerWaalsContact O-CG 3.3Å; K63-R67 WeakPolarHBondContact O-CG 3.42Å; K63-R67 PolarHBondContact O-N 3.01Å
64	V	92.4	Very high	90.2	Very high	87 Å²	87	85.6 Å²	85.6	53%	0.527	44%	0.438	S	S	.	.	H	α-helix	trans	-60	-44.4	176.3	170.3	0	0	0	0	110.9	D60 E61 E62 R67 S68	D60-V64 WeakPolarHBondContact O-CG2 3.47Å; D60-V64 PolarHBondContact O-N 2.83Å; E61-V64 PolarHBondContact O-N 3.46Å; E62-V64 PolarHBondContact O-N 3.2Å; V64-R67 PolarHBondContact O-N 2.98Å; V64-S68 WeakPolarHBondContact O-CB 3.33Å; V64-S68 PolarHBondContact O-N 2.93Å
65	M	90.6	Very high	90	Very high	114 Å²	114	85.6 Å²	85.6	56%	0.562	44%	0.441	S	S	*	.	H	α-helix	trans	-62.7	-46.6	177.6	-73	-63.5	-71.3	0	0	112.4	E61 E62 K63 S68 Q69	E61-M65 WeakPolarHBondContact O-CG 3.49Å; E61-M65 PolarHBondContact O-N 3.44Å; E61-M65 VanDerWaalsContact O-N 3.07Å; E62-M65 PolarHBondContact O-N 3.45Å; K63-M65 VanDerWaalsContact C-N 3.33Å; K63-M65 PolarHBondContact O-N 3.4Å; M65-S68 PolarHBondContact O-N 2.95Å; M65-Q69 WeakPolarHBondContact O-CG 3.33Å; M65-Q69 PolarHBondContact O-N 2.76Å
66	R	88.3	Confident	89.5	Confident	82 Å²	82	81.8 Å²	81.8	31%	0.309	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-44.4	176.4	-79.9	-78.1	-166.3	114.9	11	112	M53 E56 L58 E62 K63 S68 Q69 H70	M53-R66 HydrophobicContact CG-CB 4.32Å; M53-R66 HydrophobicContact SD-CB 3.41Å; M53-R66 WeakPolarHBondContact SD-CB 3.41Å; M53-R66 HydrophobicContact SD-CG 4.15Å; E56-R66 IonicContact OE1-NH2 3.73Å; E56-R66 IonicContact OE2-CZ 2.59Å; E56-R66 IonicContact OE2-NH1 3.02Å; E56-R66 IonicContact OE2-NH2 3.74Å; E56-R66 PolarHBondContact OE2-NH2 3.43Å; L58-R66 HydrophobicContact CD1-CG 4.23Å; E62-R66 PolarHBondContact O-N 3.39Å; K63-R66 PolarHBondContact O-N 3.3Å; R66-S68 PolarHBondContact O-N 3.46Å; R66-Q69 PolarHBondContact O-N 3.39Å; R66-H70 WeakPolarHBondContact O-CB 3.14Å; R66-H70 PolarHBondContact O-N 3.44Å
67	R	92.3	Very high	89	Confident	100 Å²	100	77.3 Å²	77.3	38%	0.377	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-44.1	175.2	-72.5	174.4	-175	140.4	2.4	112.1	L49 E50 M53 K63 V64 H70 A71	L49-R67 HydrophobicContact CD2-CG 4.5Å; E50-R67 IonicContact OE1-CZ 3.88Å; E50-R67 IonicContact OE1-NE 3.74Å; E50-R67 PolarHBondContact OE1-NE 3.39Å; E50-R67 IonicContact OE1-NH2 3.69Å; E50-R67 IonicContact OE2-CZ 3.88Å; E50-R67 IonicContact OE2-NE 2.69Å; E50-R67 PolarHBondContact OE2-NE 3.45Å; E50-R67 IonicContact OE2-NH2 3.38Å; E50-R67 PolarHBondContact OE2-NH2 3.48Å; M53-R67 HydrophobicContact CE-CG 3.92Å; M53-R67 HydrophobicContact SD-CG 4.46Å; K63-R67 WeakPolarHBondContact O-CB 3.49Å; K63-R67 VanDerWaalsContact O-CG 3.3Å; K63-R67 WeakPolarHBondContact O-CG 3.42Å; K63-R67 PolarHBondContact O-N 3.01Å; V64-R67 PolarHBondContact O-N 2.98Å; R67-H70 PolarHBondContact O-N 3.31Å; R67-A71 WeakPolarHBondContact O-CB 3.48Å; R67-A71 PolarHBondContact O-N 3.21Å
68	S	91.4	Very high	88.7	Confident	76 Å²	76	77.8 Å²	77.8	53%	0.531	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-45.5	177.1	-178.9	0	0	0	0	111.9	V64 M65 R66 H70 A71 R72	V64-S68 WeakPolarHBondContact O-CB 3.33Å; V64-S68 PolarHBondContact O-N 2.93Å; M65-S68 PolarHBondContact O-N 2.95Å; R66-S68 PolarHBondContact O-N 3.46Å; S68-H70 VanDerWaalsContact C-N 3.33Å; S68-H70 PolarHBondContact O-N 3.13Å; S68-A71 PolarHBondContact O-N 3.12Å; S68-R72 PolarHBondContact O-N 2.93Å
69	Q	88.2	Confident	88.2	Confident	92 Å²	92	83 Å²	83	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-61.3	-41.1	174.7	-70.3	178.6	8.2	0	0	112.2	M65 R66 R72 K73	M65-Q69 WeakPolarHBondContact O-CG 3.33Å; M65-Q69 PolarHBondContact O-N 2.76Å; R66-Q69 PolarHBondContact O-N 3.39Å; Q69-R72 PolarHBondContact O-N 3Å; Q69-K73 WeakPolarHBondContact O-CG 3.35Å; Q69-K73 PolarHBondContact O-N 3.41Å
70	H	87.6	Confident	87.6	Confident	32 Å²	32	78.9 Å²	78.9	15%	0.148	38%	0.384	C	S	.	.	H	α-helix	trans	-64.1	-45.7	176	-175.8	-90.4	0	0	0	112.1	L49 R66 R67 S68 R72 K73 E74	L49-H70 HydrophobicContact CD2-CB 3.46Å; L49-H70 VanDerWaalsContact CD2-CB 3.46Å; R66-H70 WeakPolarHBondContact O-CB 3.14Å; R66-H70 PolarHBondContact O-N 3.44Å; R67-H70 PolarHBondContact O-N 3.31Å; S68-H70 VanDerWaalsContact C-N 3.33Å; S68-H70 PolarHBondContact O-N 3.13Å; H70-R72 VanDerWaalsContact C-N 3.27Å; H70-R72 PolarHBondContact O-N 2.86Å; H70-K73 WeakPolarHBondContact O-CB 3.3Å; H70-K73 PolarHBondContact O-N 2.92Å; H70-K73 VanDerWaalsContact O-N 3.11Å; H70-E74 IonicContact CE1-OE1 3.33Å; H70-E74 PolarHBondContact O-N 3.5Å
71	A	88.3	Confident	86.9	Confident	53 Å²	53	75.7 Å²	75.7	44%	0.438	36%	0.364	S	S	.	.	H	α-helix	trans	-60.2	-37.6	176.5	0	0	0	0	0	112.2	R67 S68 E74 T75	R67-A71 WeakPolarHBondContact O-CB 3.48Å; R67-A71 PolarHBondContact O-N 3.21Å; S68-A71 PolarHBondContact O-N 3.12Å; A71-E74 PolarHBondContact O-N 2.59Å; A71-T75 PolarHBondContact O-N 3.14Å; A71-T75 PolarHBondContact O-OG1 3.46Å
72	R	87.1	Confident	86.2	Confident	165 Å²	165	77.6 Å²	77.6	62%	0.623	36%	0.364	S	S	*	.	H	α-helix	trans	-63.1	-46.4	172.9	-169.2	176.6	73.1	-178.2	1	111.5	S68 Q69 H70 E74 T75 E76	S68-R72 PolarHBondContact O-N 2.93Å; Q69-R72 PolarHBondContact O-N 3Å; H70-R72 VanDerWaalsContact C-N 3.27Å; H70-R72 PolarHBondContact O-N 2.86Å; R72-E74 PolarHBondContact O-N 2.75Å; R72-T75 PolarHBondContact O-N 2.98Å; R72-E76 PolarHBondContact O-N 3.07Å
73	K	84.8	Confident	85.7	Confident	82 Å²	82	76.4 Å²	76.4	36%	0.357	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-44.2	176.4	-72.7	178.1	-179.6	-179.8	0	112	Q69 H70 T75 E76 F77 F445 T449	Q69-K73 WeakPolarHBondContact O-CG 3.35Å; Q69-K73 PolarHBondContact O-N 3.41Å; H70-K73 WeakPolarHBondContact O-CB 3.3Å; H70-K73 PolarHBondContact O-N 2.92Å; H70-K73 VanDerWaalsContact O-N 3.11Å; K73-T75 PolarHBondContact O-N 3.19Å; K73-E76 PolarHBondContact O-N 3.37Å; K73-F77 WeakPolarHBondContact O-CB 3.29Å; K73-F77 PolarHBondContact O-N 3.45Å; K73-F445 HydrophobicContact CB-CZ 3.99Å; K73-T449 HydrophobicContact CD-CG2 4.43Å
74	E	87.3	Confident	85.2	Confident	5 Å²	5	85.8 Å²	85.8	2%	0.023	40%	0.398	C	S	.	.	H	α-helix	trans	-60.6	-43.1	175.5	-77.1	-68.2	168.5	0	0	112.1	R45 H70 A71 R72 F77 L78 F445	R45-E74 IonicContact CZ-OE1 2.8Å; R45-E74 IonicContact NE-OE1 3.13Å; R45-E74 PolarHBondContact NE-OE1 2.8Å; R45-E74 IonicContact NH2-OE1 2.67Å; R45-E74 PolarHBondContact NH2-OE1 2.78Å; R45-E74 IonicContact NH2-OE2 3.31Å; R45-E74 PolarHBondContact NH2-OE2 2.9Å; H70-E74 IonicContact CE1-OE1 3.33Å; H70-E74 PolarHBondContact O-N 3.5Å; A71-E74 PolarHBondContact O-N 2.59Å; R72-E74 PolarHBondContact O-N 2.75Å; E74-F77 WeakPolarHBondContact O-CB 3.22Å; E74-F77 PolarHBondContact O-N 3.02Å; E74-L78 WeakPolarHBondContact O-CG 3.48Å; E74-L78 PolarHBondContact O-N 3.41Å; E74-F445 HydrophobicContact CG-CE2 4.27Å; E74-F445 HydrophobicContact CG-CZ 4.27Å
75	T	86.4	Confident	84.8	Confident	91 Å²	91	82.4 Å²	82.4	56%	0.558	38%	0.377	S	S	*	.	H	α-helix	trans	-64	-44.4	177.3	-57.6	0	0	0	0	111.8	A71 R72 K73 F77 L78 R79	A71-T75 PolarHBondContact O-N 3.14Å; A71-T75 PolarHBondContact O-OG1 3.46Å; R72-T75 PolarHBondContact O-N 2.98Å; K73-T75 PolarHBondContact O-N 3.19Å; T75-F77 VanDerWaalsContact C-N 3.31Å; T75-F77 PolarHBondContact O-N 2.87Å; T75-L78 PolarHBondContact O-N 3.07Å; T75-R79 PolarHBondContact O-N 3.3Å; T75-R79 VanDerWaalsContact O-N 3.1Å
76	E	83.3	Confident	84.7	Confident	42 Å²	42	78 Å²	78	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-64.1	-35.4	175.8	-71	-167.9	122.8	0	0	112.1	R72 K73 R79 L80 L448 R451	R72-E76 PolarHBondContact O-N 3.07Å; K73-E76 PolarHBondContact O-N 3.37Å; E76-R79 WeakPolarHBondContact O-CB 3.43Å; E76-R79 PolarHBondContact O-N 2.93Å; E76-R79 IonicContact OE1-NH2 2.73Å; E76-L80 PolarHBondContact O-N 3.4Å; E76-L448 HydrophobicContact CB-CD2 3.7Å; E76-R451 IonicContact OE1-CZ 3.72Å; E76-R451 IonicContact OE1-NH1 2.84Å; E76-R451 PolarHBondContact OE1-NH1 3.28Å; E76-R451 IonicContact OE1-NH2 3.93Å; E76-R451 IonicContact OE2-NH1 4Å
77	F	81.8	Confident	84.8	Confident	5 Å²	5	76.5 Å²	76.5	2%	0.022	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-44.7	174.7	-172.6	-127.6	0	0	0	113.5	K73 E74 T75 R79 L80 K81 K443 F445 L448	K73-F77 WeakPolarHBondContact O-CB 3.29Å; K73-F77 PolarHBondContact O-N 3.45Å; E74-F77 WeakPolarHBondContact O-CB 3.22Å; E74-F77 PolarHBondContact O-N 3.02Å; T75-F77 VanDerWaalsContact C-N 3.31Å; T75-F77 PolarHBondContact O-N 2.87Å; F77-R79 PolarHBondContact O-N 3.01Å; F77-L80 HydrophobicContact CD2-CD2 4.5Å; F77-L80 PolarHBondContact O-N 3.18Å; F77-L80 VanDerWaalsContact O-N 3.12Å; F77-K81 HydrophobicContact CD1-CD 4.35Å; F77-K81 HydrophobicContact CE1-CD 4.01Å; F77-K81 HydrophobicContact CE2-CG 4.42Å; F77-K81 HydrophobicContact CZ-CD 4.23Å; F77-K81 HydrophobicContact CZ-CG 4.41Å; F77-K81 PolarHBondContact O-N 3.16Å; F77-K443 WeakPolarHBondContact CE2-O 3.4Å; F77-K443 WeakPolarHBondContact CZ-O 3.31Å; F77-F445 HydrophobicContact CB-CD2 3.79Å; F77-F445 HydrophobicContact CB-CE2 3.77Å; F77-F445 AromaticContact CD1-CD2 3.47Å; F77-F445 HydrophobicContact CD1-CD2 3.47Å; F77-F445 VanDerWaalsContact CD1-CD2 3.47Å; F77-F445 HydrophobicContact CD1-CE2 4.02Å; F77-F445 HydrophobicContact CD2-CB 4.49Å; F77-F445 AromaticContact CD2-CD2 3.9Å; F77-F445 HydrophobicContact CD2-CD2 3.9Å; F77-F445 HydrophobicContact CE1-CB 4.38Å; F77-F445 AromaticContact CE1-CD2 3.81Å; F77-F445 HydrophobicContact CE1-CD2 3.81Å; F77-F445 HydrophobicContact CE2-CB 4.13Å; F77-F445 HydrophobicContact CE2-CD2 4.24Å; F77-F445 AromaticContact CG-CD2 3.46Å; F77-F445 HydrophobicContact CG-CD2 3.46Å; F77-F445 VanDerWaalsContact CG-CD2 3.46Å; F77-F445 AromaticContact CG-CE2 3.97Å; F77-F445 HydrophobicContact CG-CE2 3.97Å; F77-F445 HydrophobicContact CZ-CB 4.02Å; F77-F445 HydrophobicContact CZ-CD2 4.17Å; F77-L448 HydrophobicContact CB-CD1 3.41Å; F77-L448 VanDerWaalsContact CB-CD1 3.41Å; F77-L448 HydrophobicContact CD2-CD1 3.54Å; F77-L448 HydrophobicContact CG-CD1 3.89Å
78	L	82.6	Confident	84.8	Confident	68 Å²	68	78.2 Å²	78.2	36%	0.356	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-31.1	174.5	-69	173.5	0	0	0	111.7	E74 T75 R82	E74-L78 WeakPolarHBondContact O-CG 3.48Å; E74-L78 PolarHBondContact O-N 3.41Å; T75-L78 PolarHBondContact O-N 3.07Å; L78-R82 WeakPolarHBondContact O-CG 3.4Å; L78-R82 PolarHBondContact O-N 3Å; L78-R82 PolarHBondContact O-NE 3.4Å
79	R	82	Confident	84.8	Confident	133 Å²	133	77.3 Å²	77.3	50%	0.502	37%	0.365	S	S	.	.	H	α-helix	trans	-69.1	-48.3	170.7	-171	179.1	67.4	-166.3	-6.3	111	T75 E76 F77 K81 R82 T83	T75-R79 PolarHBondContact O-N 3.3Å; T75-R79 VanDerWaalsContact O-N 3.1Å; E76-R79 WeakPolarHBondContact O-CB 3.43Å; E76-R79 PolarHBondContact O-N 2.93Å; E76-R79 IonicContact OE1-NH2 2.73Å; F77-R79 PolarHBondContact O-N 3.01Å; R79-K81 VanDerWaalsContact C-N 3.3Å; R79-K81 PolarHBondContact O-N 2.96Å; R79-R82 WeakPolarHBondContact O-CB 3.34Å; R79-R82 PolarHBondContact O-N 3.48Å; R79-T83 PolarHBondContact O-N 3.36Å; R79-T83 VanDerWaalsContact O-N 3.13Å; R79-T83 PolarHBondContact O-OG1 2.91Å
80	L	78.8	Confident	85.1	Confident	24 Å²	24	73.4 Å²	73.4	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-41.5	178.4	179.3	64.4	0	0	0	111.7	E76 F77 R82 T83 Y155 K443 L448	E76-L80 PolarHBondContact O-N 3.4Å; F77-L80 HydrophobicContact CD2-CD2 4.5Å; F77-L80 PolarHBondContact O-N 3.18Å; F77-L80 VanDerWaalsContact O-N 3.12Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.36Å; L80-T83 WeakPolarHBondContact O-CB 3.45Å; L80-T83 PolarHBondContact O-N 2.93Å; L80-Y155 HydrophobicContact CD2-CE1 4.3Å; L80-K443 HydrophobicContact CD1-CD 4.35Å; L80-K443 HydrophobicContact CD2-CD 4.45Å; L80-K443 HydrophobicContact CG-CD 3.87Å; L80-K443 PolarHBondContact O-NZ 3.44Å; L80-L448 HydrophobicContact CD2-CD2 4.39Å; L80-L448 HydrophobicContact CD2-CG 4.16Å
81	K	77	Confident	85.4	Confident	61 Å²	61	76.8 Å²	76.8	27%	0.265	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-32.9	175.6	-80.8	-171	167.6	176.6	0	113.4	Q38 F77 R79	Q38-K81 VanDerWaalsContact CD-NZ 3.26Å; Q38-K81 VanDerWaalsContact CG-NZ 3.32Å; F77-K81 HydrophobicContact CD1-CD 4.35Å; F77-K81 HydrophobicContact CE1-CD 4.01Å; F77-K81 HydrophobicContact CE2-CG 4.42Å; F77-K81 HydrophobicContact CZ-CD 4.23Å; F77-K81 HydrophobicContact CZ-CG 4.41Å; F77-K81 PolarHBondContact O-N 3.16Å; R79-K81 VanDerWaalsContact C-N 3.3Å; R79-K81 PolarHBondContact O-N 2.96Å
82	R	78.9	Confident	85.7	Confident	194 Å²	194	76.3 Å²	76.3	73%	0.732	36%	0.356	S	S	*	.	H	α-helix	trans	-76.4	-28.4	176.5	-72.9	179	-81	171	-6.3	113	L78 R79 L80	L78-R82 WeakPolarHBondContact O-CG 3.4Å; L78-R82 PolarHBondContact O-N 3Å; L78-R82 PolarHBondContact O-NE 3.4Å; R79-R82 WeakPolarHBondContact O-CB 3.34Å; R79-R82 PolarHBondContact O-N 3.48Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.36Å
83	T	79.2	Confident	86	Confident	67 Å²	67	71.5 Å²	71.5	41%	0.411	34%	0.342	S	S	.	.	S	Bend	trans	-65.7	137.5	174.2	-51.3	0	0	0	0	109.8	R79 L80 L85 K443	R79-T83 PolarHBondContact O-N 3.36Å; R79-T83 VanDerWaalsContact O-N 3.13Å; R79-T83 PolarHBondContact O-OG1 2.91Å; L80-T83 WeakPolarHBondContact O-CB 3.45Å; L80-T83 PolarHBondContact O-N 2.93Å; T83-L85 PolarHBondContact O-N 3.02Å; T83-K443 PolarHBondContact O-NZ 3.34Å
84	R	80.9	Confident	86.4	Confident	228 Å²	228	70.5 Å²	70.5	86%	0.86	34%	0.338	S	S	*	.			trans	-89	109.6	169.3	-170.6	174.7	179.1	178.4	-0.7	107.8
85	L	83.9	Confident	86.7	Confident	16 Å²	16	70.4 Å²	70.4	8%	0.084	34%	0.337	C	S	.	.			trans	-76.1	140.2	172.5	-79.9	166.7	0	0	0	108.7	T83 D89 Y155 F157 K443	T83-L85 PolarHBondContact O-N 3.02Å; L85-D89 VanDerWaalsContact CA-OD2 3.29Å; L85-D89 WeakPolarHBondContact CA-OD2 3.46Å; L85-D89 HydrophobicContact CD2-CB 4.19Å; L85-Y155 HydrophobicContact CD1-CD1 3.76Å; L85-Y155 HydrophobicContact CD1-CD2 4.44Å; L85-Y155 HydrophobicContact CD1-CE1 4.27Å; L85-Y155 HydrophobicContact CD1-CG 3.87Å; L85-F157 HydrophobicContact CB-CD1 4.48Å; L85-K443 HydrophobicContact CD1-CD 3.96Å; L85-K443 HydrophobicContact CD1-CG 4.38Å
86	G	88.7	Confident	86.9	Confident	23 Å²	23	66.6 Å²	66.6	24%	0.237	31%	0.314	C	S	.	.			trans	-144.3	179.4	175.7	0	0	0	0	0	111.9	D88 D89 F90	G86-D88 PolarHBondContact O-N 3.47Å; G86-D89 PolarHBondContact N-OD2 3.23Å; G86-D89 WeakPolarHBondContact O-CB 3.44Å; G86-D89 PolarHBondContact O-N 3.32Å; G86-F90 WeakPolarHBondContact O-CD2 3.38Å
87	L	90.6	Very high	87	Confident	49 Å²	49	65.3 Å²	65.3	26%	0.257	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-59.9	-34.3	179.7	-175.3	65	0	0	0	112	D89 F90 M118 Y164 L420	L87-D89 PolarHBondContact O-N 2.86Å; L87-D89 VanDerWaalsContact O-N 3.14Å; L87-F90 PolarHBondContact O-N 3Å; L87-M118 HydrophobicContact CD1-CE 3.7Å; L87-M118 HydrophobicContact CD1-SD 3.97Å; L87-Y164 HydrophobicContact CD1-CD1 4.44Å; L87-Y164 HydrophobicContact CD1-CE1 3.9Å; L87-L420 HydrophobicContact CD1-CD2 4.15Å; L87-L420 HydrophobicContact CD2-CD2 3.89Å
88	D	91.9	Very high	87	Confident	137 Å²	137	69.5 Å²	69.5	73%	0.733	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-64.2	-17.9	-179.6	-62.9	-35.4	0	0	0	113.9	G86 F90 K110	G86-D88 PolarHBondContact O-N 3.47Å; D88-F90 PolarHBondContact O-N 3.31Å; D88-K110 WeakPolarHBondContact O-CD 3.29Å; D88-K110 VanDerWaalsContact O-CE 3.3Å; D88-K110 WeakPolarHBondContact O-CE 3.15Å; D88-K110 PolarHBondContact O-NZ 3.01Å
89	D	91.3	Very high	86.4	Confident	57 Å²	57	68.3 Å²	68.3	31%	0.305	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-76.6	-9.7	175.5	-62.7	-56.4	0	0	0	112.8	L85 G86 L87 K110	L85-D89 VanDerWaalsContact CA-OD2 3.29Å; L85-D89 WeakPolarHBondContact CA-OD2 3.46Å; L85-D89 HydrophobicContact CD2-CB 4.19Å; G86-D89 PolarHBondContact N-OD2 3.23Å; G86-D89 WeakPolarHBondContact O-CB 3.44Å; G86-D89 PolarHBondContact O-N 3.32Å; L87-D89 PolarHBondContact O-N 2.86Å; L87-D89 VanDerWaalsContact O-N 3.14Å; D89-K110 PolarHBondContact O-N 2.89Å
90	F	94.5	Very high	85.8	Confident	10 Å²	10	63.7 Å²	63.7	4%	0.044	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.5	-176.4	-60.5	-90.2	0	0	0	111	G86 L87 D88 V107 Q108 K109 K110 Y116 Y155 F157 I166	G86-F90 WeakPolarHBondContact O-CD2 3.38Å; L87-F90 PolarHBondContact O-N 3Å; D88-F90 PolarHBondContact O-N 3.31Å; F90-V107 HydrophobicContact CB-CB 4.35Å; F90-V107 HydrophobicContact CB-CG2 4.47Å; F90-V107 HydrophobicContact CD1-CG2 3.87Å; F90-V107 HydrophobicContact CG-CG2 4.47Å; F90-Q108 CarbonylContact C-O 3.56Å; F90-Q108 WeakPolarHBondContact CA-O 3.02Å; F90-K109 HydrophobicContact CD1-CB 3.97Å; F90-K109 HydrophobicContact CD1-CG 4.1Å; F90-K109 HydrophobicContact CE1-CB 3.86Å; F90-K109 HydrophobicContact CE1-CD 4.14Å; F90-K109 HydrophobicContact CE1-CG 3.74Å; F90-K109 HydrophobicContact CZ-CD 4.38Å; F90-K109 HydrophobicContact CZ-CG 4.21Å; F90-K110 WeakPolarHBondContact O-CE 3.47Å; F90-Y116 HydrophobicContact CE1-CD2 4.2Å; F90-Y155 HydrophobicContact CZ-CD2 4.12Å; F90-Y155 HydrophobicContact CZ-CE2 4.47Å; F90-F157 HydrophobicContact CD2-CE1 4.32Å; F90-F157 HydrophobicContact CD2-CZ 4.21Å; F90-F157 AromaticContact CE2-CE1 3.75Å; F90-F157 HydrophobicContact CE2-CE1 3.75Å; F90-F157 HydrophobicContact CE2-CZ 4.1Å; F90-F157 HydrophobicContact CZ-CE1 4.48Å; F90-I166 HydrophobicContact CD1-CD1 4.47Å; F90-I166 HydrophobicContact CE1-CD1 4.14Å; F90-I166 HydrophobicContact CE1-CG1 4.28Å; F90-I166 HydrophobicContact CE1-CG2 4.1Å; F90-I166 HydrophobicContact CE2-CD1 4.3Å; F90-I166 HydrophobicContact CE2-CG1 4.36Å; F90-I166 HydrophobicContact CZ-CD1 4.06Å; F90-I166 HydrophobicContact CZ-CG1 3.9Å; F90-I166 HydrophobicContact CZ-CG2 4.38Å
91	E	95.1	Very high	85.4	Confident	102 Å²	102	64.9 Å²	64.9	48%	0.477	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.4	170.4	-177.8	171.6	-179.2	0	0	108.6	L93 V107 Q108 K110	E91-L93 HydrophobicContact CG-CD2 4.33Å; E91-V107 CarbonylContact O-C 3.59Å; E91-V107 WeakPolarHBondContact O-CA 3.26Å; E91-V107 WeakPolarHBondContact O-CB 3.4Å; E91-Q108 PolarHBondContact N-O 3.18Å; E91-Q108 PolarHBondContact O-N 2.72Å; E91-K110 HydrophobicContact CB-CG 4.41Å
92	S	94.7	Very high	85.6	Confident	44 Å²	44	62.7 Å²	62.7	31%	0.308	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.6	176.9	172.8	0	0	0	0	109.7	R105	S92-R105 WeakPolarHBondContact OG-CD 3.35Å; S92-R105 PolarHBondContact OG-NH1 2.66Å; S92-R105 VanDerWaalsContact OG-NH1 3.12Å
93	L	93.4	Very high	86.1	Confident	64 Å²	64	53.8 Å²	53.8	34%	0.335	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-52.8	-180	-57.9	-178	0	0	0	112.1	E91 L106 Q108 I115	E91-L93 HydrophobicContact CG-CD2 4.33Å; L93-L106 HydrophobicContact CB-CB 4.46Å; L93-L106 HydrophobicContact CB-CD2 4.37Å; L93-L106 HydrophobicContact CB-CG 4.45Å; L93-L106 WeakPolarHBondContact CB-O 3.38Å; L93-L106 HydrophobicContact CD1-CD2 4.12Å; L93-L106 HydrophobicContact CD1-CG 4.24Å; L93-L106 PolarHBondContact N-O 3.2Å; L93-Q108 HydrophobicContact CD1-CB 4.16Å; L93-Q108 HydrophobicContact CD2-CB 4.43Å; L93-Q108 HydrophobicContact CG-CB 4.37Å; L93-I115 HydrophobicContact CD1-CD1 3.77Å
94	K	93.1	Very high	86.7	Confident	60 Å²	60	52.2 Å²	52.2	26%	0.261	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	146.1	-175.3	-171.9	173.2	172.1	-176.9	0	111.7	R105 L106 T408	K94-R105 CarbonylContact O-C 3.59Å; K94-R105 VanDerWaalsContact O-CA 3.29Å; K94-R105 WeakPolarHBondContact O-CA 3.03Å; K94-L106 PolarHBondContact N-O 3.46Å; K94-L106 PolarHBondContact O-N 2.81Å; K94-T408 HydrophobicContact CD-CG2 4.19Å; K94-T408 WeakPolarHBondContact CD-OG1 3.49Å; K94-T408 PolarHBondContact NZ-OG1 3.01Å
95	V	92.7	Very high	87.3	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	122.1	167.9	-174.6	0	0	0	0	108.8	R98 R105 F414	V95-R98 HydrophobicContact CG1-CG 4.37Å; V95-R105 HydrophobicContact CG2-CG 4.25Å; V95-F414 HydrophobicContact CB-CB 4.06Å; V95-F414 HydrophobicContact CG1-CB 3.81Å; V95-F414 HydrophobicContact CG1-CG 4.26Å
96	I	90.7	Very high	87.9	Confident	11 Å²	11	41.2 Å²	41.2	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-9.1	-176.2	59.5	173.1	0	0	0	113.3	V104 L106 A117 F169 T408 F411 F414	I96-V104 HydrophobicContact CD1-CG1 3.97Å; I96-V104 HydrophobicContact CG1-CB 4.2Å; I96-V104 HydrophobicContact CG1-CG1 3.85Å; I96-V104 WeakPolarHBondContact CG1-O 3.43Å; I96-V104 PolarHBondContact N-O 3.11Å; I96-L106 HydrophobicContact CD1-CB 4.48Å; I96-L106 HydrophobicContact CG2-CB 3.95Å; I96-A117 HydrophobicContact CD1-CB 4.27Å; I96-F169 HydrophobicContact CD1-CD2 3.95Å; I96-F169 HydrophobicContact CD1-CE2 3.85Å; I96-T408 HydrophobicContact CG2-CG2 3.71Å; I96-F411 HydrophobicContact CB-CD1 3.95Å; I96-F411 HydrophobicContact CB-CE1 4.34Å; I96-F411 HydrophobicContact CB-CG 4.18Å; I96-F411 HydrophobicContact CD1-CE1 4.4Å; I96-F411 HydrophobicContact CG2-CG 4.49Å; I96-F411 WeakPolarHBondContact O-CD1 3.45Å; I96-F414 WeakPolarHBondContact O-CE2 3.46Å
97	G	85.6	Confident	88.3	Confident	15 Å²	15	40.1 Å²	40.1	16%	0.155	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	154.4	175.4	0	0	0	0	0	112.2	E103 V104	G97-E103 WeakPolarHBondContact O-CA 3.41Å; G97-E103 WeakPolarHBondContact O-CB 3.31Å; G97-V104 PolarHBondContact N-O 2.68Å; G97-V104 VanDerWaalsContact N-O 3.14Å; G97-V104 PolarHBondContact O-N 3.19Å
98	R	81.2	Confident	88.5	Confident	93 Å²	93	40.8 Å²	40.8	35%	0.351	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.3	172.1	-72.8	-174.3	178.1	-167.8	-3.2	109.3	V95 E103 Y281 F414 P415 E416	V95-R98 HydrophobicContact CG1-CG 4.37Å; R98-E103 HydrophobicContact CG-CB 4.18Å; R98-Y281 HydrophobicContact CB-CD1 4.36Å; R98-Y281 HydrophobicContact CB-CE1 4.47Å; R98-Y281 WeakPolarHBondContact O-CD1 3.46Å; R98-F414 HydrophobicContact CB-CD1 4.23Å; R98-F414 HydrophobicContact CB-CE1 4.09Å; R98-F414 HydrophobicContact CG-CD1 3.78Å; R98-F414 HydrophobicContact CG-CE1 4.15Å; R98-F414 HydrophobicContact CG-CG 4.42Å; R98-P415 PolarHBondContact NH2-O 3.1Å; R98-E416 PolarHBondContact NH2-O 2.99Å
99	G	71.3	Confident	88.5	Confident	44 Å²	44	34.7 Å²	34.7	45%	0.454	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	174.3	175.6	0	0	0	0	0	111.6	F101 G102	G99-F101 PolarHBondContact O-N 3.19Å; G99-G102 PolarHBondContact N-O 2.71Å; G99-G102 PolarHBondContact O-N 2.58Å
100	A	67.9	Low	88.6	Confident	35 Å²	35	37.9 Å²	37.9	29%	0.289	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.2	179.2	0	0	0	0	0	115.1	T283	A100-T283 HydrophobicContact CB-CG2 3.94Å
101	F	71.4	Confident	88.2	Confident	50 Å²	50	42.8 Å²	42.8	22%	0.219	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	3.9	-168.2	-57.5	-73.5	0	0	0	113.7	G99 L121 R122 M126 K129 Q131	G99-F101 PolarHBondContact O-N 3.19Å; F101-L121 HydrophobicContact CB-CD2 4.16Å; F101-R122 PolarHBondContact O-N 3.1Å; F101-M126 HydrophobicContact CB-CE 3.39Å; F101-M126 HydrophobicContact CD1-CE 3.1Å; F101-M126 HydrophobicContact CD2-CE 4.25Å; F101-M126 HydrophobicContact CE1-CE 3.81Å; F101-M126 HydrophobicContact CG-CE 3.34Å; F101-K129 HydrophobicContact CD1-CD 3.99Å; F101-K129 HydrophobicContact CE1-CB 4.32Å; F101-K129 HydrophobicContact CE1-CD 3.39Å; F101-K129 HydrophobicContact CE1-CG 4.5Å; F101-K129 HydrophobicContact CZ-CD 4.42Å; F101-Q131 HydrophobicContact CE1-CG 3.87Å; F101-Q131 HydrophobicContact CZ-CG 3.98Å
102	G	81.4	Confident	87.8	Confident	15 Å²	15	39.9 Å²	39.9	16%	0.155	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-160.1	-168.5	0	0	0	0	0	113.6	G99 I120	G99-G102 PolarHBondContact N-O 2.71Å; G99-G102 PolarHBondContact O-N 2.58Å; G102-I120 WeakPolarHBondContact CA-O 3.49Å
103	E	88.5	Confident	87.5	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.028	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	163.1	-178.3	68.4	-173.5	-143.8	0	0	111.8	G97 R98 R105 I120 S417 I419	G97-E103 WeakPolarHBondContact O-CA 3.41Å; G97-E103 WeakPolarHBondContact O-CB 3.31Å; R98-E103 HydrophobicContact CG-CB 4.18Å; E103-R105 HydrophobicContact CG-CG 4.48Å; E103-R105 IonicContact OE1-CZ 3.65Å; E103-R105 IonicContact OE1-NE 3.13Å; E103-R105 PolarHBondContact OE1-NE 2.87Å; E103-R105 IonicContact OE1-NH2 2.83Å; E103-R105 PolarHBondContact OE1-NH2 3.24Å; E103-I120 HydrophobicContact CG-CD1 4.09Å; E103-I120 PolarHBondContact N-O 3.37Å; E103-I120 VanDerWaalsContact N-O 3.12Å; E103-I120 PolarHBondContact O-N 3.27Å; E103-S417 WeakPolarHBondContact OE2-CB 3.33Å; E103-S417 PolarHBondContact OE2-OG 2.94Å; E103-I419 HydrophobicContact CG-CD1 4.14Å; E103-I419 HydrophobicContact CG-CG2 3.88Å; E103-I419 WeakPolarHBondContact OE1-CG2 3.45Å
104	V	91.8	Very high	87.3	Confident	35 Å²	35	38.3 Å²	38.3	21%	0.212	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.3	177.8	-171.4	0	0	0	0	108.3	I96 G97 A117 M118 K119	I96-V104 HydrophobicContact CD1-CG1 3.97Å; I96-V104 HydrophobicContact CG1-CB 4.2Å; I96-V104 HydrophobicContact CG1-CG1 3.85Å; I96-V104 WeakPolarHBondContact CG1-O 3.43Å; I96-V104 PolarHBondContact N-O 3.11Å; G97-V104 PolarHBondContact N-O 2.68Å; G97-V104 VanDerWaalsContact N-O 3.14Å; G97-V104 PolarHBondContact O-N 3.19Å; V104-A117 HydrophobicContact CG1-CB 4.22Å; V104-M118 CarbonylContact C-O 3.54Å; V104-M118 WeakPolarHBondContact CA-O 3.47Å; V104-K119 HydrophobicContact CG2-CB 4.2Å; V104-K119 HydrophobicContact CG2-CG 4.11Å
105	R	94.6	Very high	87.4	Confident	9 Å²	9	36.7 Å²	36.7	3%	0.034	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.1	177.7	-59.9	-161	-179.1	-143.1	-8.7	111.3	S92 K94 V95 E103 V107 A117 M118 I120 E416 S417 L420	S92-R105 WeakPolarHBondContact OG-CD 3.35Å; S92-R105 PolarHBondContact OG-NH1 2.66Å; S92-R105 VanDerWaalsContact OG-NH1 3.12Å; K94-R105 CarbonylContact O-C 3.59Å; K94-R105 VanDerWaalsContact O-CA 3.29Å; K94-R105 WeakPolarHBondContact O-CA 3.03Å; V95-R105 HydrophobicContact CG2-CG 4.25Å; E103-R105 HydrophobicContact CG-CG 4.48Å; E103-R105 IonicContact OE1-CZ 3.65Å; E103-R105 IonicContact OE1-NE 3.13Å; E103-R105 PolarHBondContact OE1-NE 2.87Å; E103-R105 IonicContact OE1-NH2 2.83Å; E103-R105 PolarHBondContact OE1-NH2 3.24Å; R105-V107 HydrophobicContact CB-CG1 4.06Å; R105-A117 CarbonylContact O-C 3.5Å; R105-A117 WeakPolarHBondContact O-CA 3.46Å; R105-M118 PolarHBondContact N-O 2.91Å; R105-M118 PolarHBondContact O-N 3.12Å; R105-I120 HydrophobicContact CG-CD1 4.02Å; R105-E416 IonicContact CZ-OE2 4Å; R105-E416 IonicContact NH1-OE2 3.5Å; R105-E416 PolarHBondContact NH1-OE2 3.02Å; R105-E416 VanDerWaalsContact NH1-OE2 3.13Å; R105-E416 IonicContact NH2-OE2 2.82Å; R105-E416 PolarHBondContact NH2-OE2 2.71Å; R105-S417 PolarHBondContact NH2-O 2.73Å; R105-S417 VanDerWaalsContact NH2-O 3.1Å; R105-L420 VanDerWaalsContact CZ-CD1 3.5Å
106	L	95.8	Very high	87.5	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.4	159.4	-170.4	69.9	0	0	0	108.3	L93 K94 I96 I115 F169 D406 T408	L93-L106 HydrophobicContact CB-CB 4.46Å; L93-L106 HydrophobicContact CB-CD2 4.37Å; L93-L106 HydrophobicContact CB-CG 4.45Å; L93-L106 WeakPolarHBondContact CB-O 3.38Å; L93-L106 HydrophobicContact CD1-CD2 4.12Å; L93-L106 HydrophobicContact CD1-CG 4.24Å; L93-L106 PolarHBondContact N-O 3.2Å; K94-L106 PolarHBondContact N-O 3.46Å; K94-L106 PolarHBondContact O-N 2.81Å; I96-L106 HydrophobicContact CD1-CB 4.48Å; I96-L106 HydrophobicContact CG2-CB 3.95Å; L106-I115 HydrophobicContact CD1-CG2 3.32Å; L106-I115 HydrophobicContact CG-CG2 4.02Å; L106-F169 HydrophobicContact CD1-CB 4.03Å; L106-F169 HydrophobicContact CD1-CD1 3.57Å; L106-F169 HydrophobicContact CD1-CD2 3.48Å; L106-F169 VanDerWaalsContact CD1-CD2 3.48Å; L106-F169 HydrophobicContact CD1-CE1 3.8Å; L106-F169 HydrophobicContact CD1-CE2 3.73Å; L106-F169 HydrophobicContact CD1-CG 3.4Å; L106-F169 HydrophobicContact CD1-CZ 3.88Å; L106-D406 HydrophobicContact CD2-CB 3.99Å; L106-T408 HydrophobicContact CD2-CG2 3.79Å
107	V	96.1	Very high	87.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.1	-179	-55.7	0	0	0	0	111.5	F90 E91 R105 I115 Y116 M118	F90-V107 HydrophobicContact CB-CB 4.35Å; F90-V107 HydrophobicContact CB-CG2 4.47Å; F90-V107 HydrophobicContact CD1-CG2 3.87Å; F90-V107 HydrophobicContact CG-CG2 4.47Å; E91-V107 CarbonylContact O-C 3.59Å; E91-V107 WeakPolarHBondContact O-CA 3.26Å; E91-V107 WeakPolarHBondContact O-CB 3.4Å; R105-V107 HydrophobicContact CB-CG1 4.06Å; V107-I115 WeakPolarHBondContact O-CA 3.43Å; V107-Y116 PolarHBondContact N-O 2.54Å; V107-Y116 PolarHBondContact O-N 2.77Å; V107-M118 HydrophobicContact CB-CB 4.43Å; V107-M118 HydrophobicContact CG1-CB 3.63Å; V107-M118 HydrophobicContact CG1-CE 3.61Å; V107-M118 HydrophobicContact CG1-CG 4.46Å; V107-M118 HydrophobicContact CG1-SD 4.12Å; V107-M118 HydrophobicContact CG2-CB 3.84Å
108	Q	95.1	Very high	88.2	Confident	63 Å²	63	35.8 Å²	35.8	29%	0.294	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.1	171.5	-171.3	172.1	43.7	0	0	110.1	F90 E91 L93 K110 G113 H114 I115	F90-Q108 CarbonylContact C-O 3.56Å; F90-Q108 WeakPolarHBondContact CA-O 3.02Å; E91-Q108 PolarHBondContact N-O 3.18Å; E91-Q108 PolarHBondContact O-N 2.72Å; L93-Q108 HydrophobicContact CD1-CB 4.16Å; L93-Q108 HydrophobicContact CD2-CB 4.43Å; L93-Q108 HydrophobicContact CG-CB 4.37Å; Q108-K110 PolarHBondContact O-N 2.83Å; Q108-G113 WeakPolarHBondContact CG-O 3.02Å; Q108-G113 PolarHBondContact NE2-O 3.14Å; Q108-H114 CarbonylContact C-O 3.54Å; Q108-H114 WeakPolarHBondContact CA-O 3.46Å; Q108-I115 HydrophobicContact CB-CD1 3.95Å; Q108-I115 HydrophobicContact CG-CD1 4.02Å
109	K	93	Very high	88.7	Confident	9 Å²	9	32.5 Å²	32.5	4%	0.039	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.5	174	-163.7	-177.3	-175.4	-74.7	0	109.6	F90 D111 T112 G113 H114 Y116 Y155	F90-K109 HydrophobicContact CD1-CB 3.97Å; F90-K109 HydrophobicContact CD1-CG 4.1Å; F90-K109 HydrophobicContact CE1-CB 3.86Å; F90-K109 HydrophobicContact CE1-CD 4.14Å; F90-K109 HydrophobicContact CE1-CG 3.74Å; F90-K109 HydrophobicContact CZ-CD 4.38Å; F90-K109 HydrophobicContact CZ-CG 4.21Å; K109-D111 WeakPolarHBondContact CD-OD1 3.47Å; K109-D111 VanDerWaalsContact CG-OD1 3.3Å; K109-D111 WeakPolarHBondContact CG-OD1 3.25Å; K109-D111 IonicContact NZ-OD1 2.72Å; K109-D111 PolarHBondContact NZ-OD1 2.87Å; K109-D111 IonicContact NZ-OD2 3.64Å; K109-D111 PolarHBondContact NZ-OD2 3.4Å; K109-D111 PolarHBondContact O-N 2.85Å; K109-T112 PolarHBondContact O-N 2.93Å; K109-G113 VanDerWaalsContact O-CA 3.32Å; K109-G113 WeakPolarHBondContact O-CA 3.46Å; K109-G113 PolarHBondContact O-N 2.81Å; K109-H114 PolarHBondContact N-O 3.06Å; K109-Y116 HydrophobicContact CB-CD2 4.16Å; K109-Y116 HydrophobicContact CB-CE2 3.77Å; K109-Y116 HydrophobicContact CD-CE2 4.22Å; K109-Y155 HydrophobicContact CD-CE2 4.46Å
110	K	92.2	Very high	89.6	Confident	123 Å²	123	30.4 Å²	30.4	54%	0.535	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.6	-165.8	-68.6	179.1	-176.9	167.5	0	114.9	D88 D89 F90 E91 Q108	D88-K110 WeakPolarHBondContact O-CD 3.29Å; D88-K110 VanDerWaalsContact O-CE 3.3Å; D88-K110 WeakPolarHBondContact O-CE 3.15Å; D88-K110 PolarHBondContact O-NZ 3.01Å; D89-K110 PolarHBondContact O-N 2.89Å; F90-K110 WeakPolarHBondContact O-CE 3.47Å; E91-K110 HydrophobicContact CB-CG 4.41Å; Q108-K110 PolarHBondContact O-N 2.83Å
111	D	86.5	Confident	90.6	Very high	113 Å²	113	29.1 Å²	29.1	60%	0.604	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-25.8	-177.4	65.7	-26.1	0	0	0	113.8	K109	K109-D111 WeakPolarHBondContact CD-OD1 3.47Å; K109-D111 VanDerWaalsContact CG-OD1 3.3Å; K109-D111 WeakPolarHBondContact CG-OD1 3.25Å; K109-D111 IonicContact NZ-OD1 2.72Å; K109-D111 PolarHBondContact NZ-OD1 2.87Å; K109-D111 IonicContact NZ-OD2 3.64Å; K109-D111 PolarHBondContact NZ-OD2 3.4Å; K109-D111 PolarHBondContact O-N 2.85Å
112	T	86.3	Confident	91.2	Very high	42 Å²	42	31.8 Å²	31.8	26%	0.258	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-14.4	-177.7	66.5	0	0	0	0	114.1	K109 H114	K109-T112 PolarHBondContact O-N 2.93Å; T112-H114 WeakPolarHBondContact CB-ND1 3.39Å; T112-H114 PolarHBondContact O-N 2.79Å; T112-H114 PolarHBondContact O-ND1 3.05Å; T112-H114 PolarHBondContact OG1-N 3.02Å; T112-H114 PolarHBondContact OG1-ND1 3.2Å
113	G	88.4	Confident	91.4	Very high	31 Å²	31	31.5 Å²	31.5	32%	0.32	16%	0.159	S	C	.	.			trans	66.4	8	-172.5	0	0	0	0	0	114.5	Q108 K109	Q108-G113 WeakPolarHBondContact CG-O 3.02Å; Q108-G113 PolarHBondContact NE2-O 3.14Å; K109-G113 VanDerWaalsContact O-CA 3.32Å; K109-G113 WeakPolarHBondContact O-CA 3.46Å; K109-G113 PolarHBondContact O-N 2.81Å
114	H	90.4	Very high	91.2	Very high	43 Å²	43	34.3 Å²	34.3	20%	0.199	18%	0.183	C	C	.	.			trans	-76.5	142.7	-176.7	-77.3	58.3	0	0	0	111.8	Q108 K109 T112 Y116 Q450 G452	Q108-H114 CarbonylContact C-O 3.54Å; Q108-H114 WeakPolarHBondContact CA-O 3.46Å; K109-H114 PolarHBondContact N-O 3.06Å; T112-H114 WeakPolarHBondContact CB-ND1 3.39Å; T112-H114 PolarHBondContact O-N 2.79Å; T112-H114 PolarHBondContact O-ND1 3.05Å; T112-H114 PolarHBondContact OG1-N 3.02Å; T112-H114 PolarHBondContact OG1-ND1 3.2Å; H114-Y116 HydrophobicContact CB-CD2 4.5Å; H114-Y116 HydrophobicContact CB-CE2 3.61Å; H114-Y116 WeakPolarHBondContact O-CD2 3.43Å; H114-Y116 WeakPolarHBondContact O-CE2 3.34Å; H114-Q450 PolarHBondContact CD2-O 2.88Å; H114-Q450 PolarHBondContact CE1-O 3.1Å; H114-Q450 VanDerWaalsContact CG-O 3.29Å; H114-Q450 PolarHBondContact ND1-O 3.05Å; H114-Q450 VanDerWaalsContact ND1-O 3.15Å; H114-Q450 PolarHBondContact NE2-O 3.09Å; H114-G452 PolarHBondContact CE1-N 2.97Å; H114-G452 PolarHBondContact NE2-N 2.97Å
115	I	94.1	Very high	90.6	Very high	26 Å²	26	34.2 Å²	34.2	13%	0.133	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.3	-178.6	-58.3	-60.1	0	0	0	110.2	L93 L106 V107 Q108 F169 I405 D406	L93-I115 HydrophobicContact CD1-CD1 3.77Å; L106-I115 HydrophobicContact CD1-CG2 3.32Å; L106-I115 HydrophobicContact CG-CG2 4.02Å; V107-I115 WeakPolarHBondContact O-CA 3.43Å; Q108-I115 HydrophobicContact CB-CD1 3.95Å; Q108-I115 HydrophobicContact CG-CD1 4.02Å; I115-F169 HydrophobicContact CG2-CB 4.11Å; I115-F169 HydrophobicContact CG2-CD1 3.95Å; I115-F169 HydrophobicContact CG2-CG 4.26Å; I115-I405 HydrophobicContact CG1-CD1 3.95Å; I115-I405 HydrophobicContact CG1-CG1 4.24Å; I115-D406 HydrophobicContact CD1-CB 4.28Å; I115-D406 HydrophobicContact CG1-CB 4.37Å
116	Y	95.3	Very high	89.8	Confident	1 Å²	1	34 Å²	34	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	159.4	179	-61.6	-80.7	0	0	0	111	F90 V107 K109 H114 F154 Y155 I166 M167 Q450	F90-Y116 HydrophobicContact CE1-CD2 4.2Å; V107-Y116 PolarHBondContact N-O 2.54Å; V107-Y116 PolarHBondContact O-N 2.77Å; K109-Y116 HydrophobicContact CB-CD2 4.16Å; K109-Y116 HydrophobicContact CB-CE2 3.77Å; K109-Y116 HydrophobicContact CD-CE2 4.22Å; H114-Y116 HydrophobicContact CB-CD2 4.5Å; H114-Y116 HydrophobicContact CB-CE2 3.61Å; H114-Y116 WeakPolarHBondContact O-CD2 3.43Å; H114-Y116 WeakPolarHBondContact O-CE2 3.34Å; Y116-F154 AromaticContact CD1-CD2 3.77Å; Y116-F154 HydrophobicContact CD1-CD2 3.77Å; Y116-F154 HydrophobicContact CD1-CE2 4.22Å; Y116-F154 HydrophobicContact CE1-CB 4.44Å; Y116-F154 AromaticContact CE1-CD2 3.56Å; Y116-F154 HydrophobicContact CE1-CD2 3.56Å; Y116-F154 AromaticContact CE1-CE2 3.94Å; Y116-F154 HydrophobicContact CE1-CE2 3.94Å; Y116-F154 AromaticContact CE1-CG 3.98Å; Y116-F154 HydrophobicContact CE1-CG 3.98Å; Y116-Y155 HydrophobicContact CE1-CE2 4.5Å; Y116-I166 HydrophobicContact CD1-CG2 3.66Å; Y116-I166 HydrophobicContact CD2-CG2 4.2Å; Y116-I166 HydrophobicContact CE1-CG2 4.42Å; Y116-I166 HydrophobicContact CG-CG2 3.53Å; Y116-M167 WeakPolarHBondContact CA-O 3.42Å; Y116-M167 WeakPolarHBondContact CB-O 3.27Å; Y116-Q450 PolarHBondContact OH-OE1 3.14Å
117	A	95.4	Very high	88.9	Confident	8 Å²	8	36.6 Å²	36.6	7%	0.066	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.3	160.5	0	0	0	0	0	109.1	I96 V104 R105 M167	I96-A117 HydrophobicContact CD1-CB 4.27Å; V104-A117 HydrophobicContact CG1-CB 4.22Å; R105-A117 CarbonylContact O-C 3.5Å; R105-A117 WeakPolarHBondContact O-CA 3.46Å; A117-M167 PolarHBondContact N-O 3.21Å; A117-M167 PolarHBondContact O-N 3.19Å
118	M	94.7	Very high	87.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.1	177.1	178.8	169.4	75.6	0	0	109.8	L87 V104 R105 V107 I120 Y164 L165 I166 L420	L87-M118 HydrophobicContact CD1-CE 3.7Å; L87-M118 HydrophobicContact CD1-SD 3.97Å; V104-M118 CarbonylContact C-O 3.54Å; V104-M118 WeakPolarHBondContact CA-O 3.47Å; R105-M118 PolarHBondContact N-O 2.91Å; R105-M118 PolarHBondContact O-N 3.12Å; V107-M118 HydrophobicContact CB-CB 4.43Å; V107-M118 HydrophobicContact CG1-CB 3.63Å; V107-M118 HydrophobicContact CG1-CE 3.61Å; V107-M118 HydrophobicContact CG1-CG 4.46Å; V107-M118 HydrophobicContact CG1-SD 4.12Å; V107-M118 HydrophobicContact CG2-CB 3.84Å; M118-I120 HydrophobicContact CE-CD1 3.85Å; M118-I120 HydrophobicContact CE-CG1 4.02Å; M118-I120 HydrophobicContact CG-CG1 4.04Å; M118-Y164 HydrophobicContact CG-CD1 4.32Å; M118-Y164 HydrophobicContact SD-CD1 3.93Å; M118-L165 CarbonylContact C-O 3.57Å; M118-L165 VanDerWaalsContact CA-O 3.31Å; M118-L165 WeakPolarHBondContact CA-O 3.41Å; M118-I166 HydrophobicContact CB-CD1 3.81Å; M118-I166 HydrophobicContact CG-CD1 3.6Å; M118-I166 HydrophobicContact SD-CD1 3.82Å; M118-L420 HydrophobicContact CE-CD1 4.42Å
119	K	92.1	Very high	86.6	Confident	24 Å²	24	44.9 Å²	44.9	10%	0.104	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.8	171.1	-174.7	171.8	-178.3	-177.3	0	108.7	V104 L121 E138 Y164 L165 M167 D231	V104-K119 HydrophobicContact CG2-CB 4.2Å; V104-K119 HydrophobicContact CG2-CG 4.11Å; K119-L121 HydrophobicContact CG-CD2 4.33Å; K119-L121 HydrophobicContact CG-CG 4.4Å; K119-E138 IonicContact NZ-OE1 3.93Å; K119-E138 PolarHBondContact NZ-OE1 3.4Å; K119-E138 IonicContact NZ-OE2 3.39Å; K119-Y164 WeakPolarHBondContact O-CA 3.31Å; K119-L165 HydrophobicContact CB-CB 4.25Å; K119-L165 HydrophobicContact CD-CD1 4.27Å; K119-L165 PolarHBondContact N-O 2.9Å; K119-L165 PolarHBondContact O-N 2.77Å; K119-M167 HydrophobicContact CB-CE 3.74Å; K119-M167 HydrophobicContact CD-CE 4.42Å; K119-D231 IonicContact NZ-OD1 3.18Å; K119-D231 PolarHBondContact NZ-OD1 3.04Å
120	I	91.4	Very high	85.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.4	-177.5	-51.2	160.3	0	0	0	107.5	G102 E103 R105 M118 N162 L163 Y164 I419 L420	G102-I120 WeakPolarHBondContact CA-O 3.49Å; E103-I120 HydrophobicContact CG-CD1 4.09Å; E103-I120 PolarHBondContact N-O 3.37Å; E103-I120 VanDerWaalsContact N-O 3.12Å; E103-I120 PolarHBondContact O-N 3.27Å; R105-I120 HydrophobicContact CG-CD1 4.02Å; M118-I120 HydrophobicContact CE-CD1 3.85Å; M118-I120 HydrophobicContact CE-CG1 4.02Å; M118-I120 HydrophobicContact CG-CG1 4.04Å; I120-N162 HydrophobicContact CG2-CB 3.98Å; I120-L163 WeakPolarHBondContact CA-O 3.49Å; I120-Y164 HydrophobicContact CG1-CD1 4.02Å; I120-Y164 HydrophobicContact CG1-CE1 4.11Å; I120-Y164 HydrophobicContact CG2-CD1 4.22Å; I120-Y164 HydrophobicContact CG2-CE1 3.84Å; I120-I419 HydrophobicContact CB-CD1 4.32Å; I120-I419 HydrophobicContact CD1-CG2 3.98Å; I120-I419 HydrophobicContact CG2-CD1 3.9Å; I120-I419 HydrophobicContact CG2-CG1 4.23Å; I120-L420 HydrophobicContact CD1-CD1 4.39Å; I120-L420 HydrophobicContact CD1-CD2 3.68Å; I120-L420 HydrophobicContact CD1-CG 4.11Å
121	L	87.3	Confident	84.6	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.047	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.2	-179.3	-59.3	169	0	0	0	110.3	F101 K119 N162 L163	F101-L121 HydrophobicContact CB-CD2 4.16Å; K119-L121 HydrophobicContact CG-CD2 4.33Å; K119-L121 HydrophobicContact CG-CG 4.4Å; L121-N162 CarbonylContact O-C 3.56Å; L121-N162 VanDerWaalsContact O-CA 3.26Å; L121-N162 WeakPolarHBondContact O-CA 3.39Å; L121-L163 HydrophobicContact CB-CB 4.28Å; L121-L163 PolarHBondContact N-O 2.83Å; L121-L163 PolarHBondContact O-N 2.95Å
122	R	85.5	Confident	84	Confident	105 Å²	105	43.6 Å²	43.6	40%	0.396	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.4	-179.4	-63.9	178.5	-177.3	179.2	0.1	110.8	F101 A124 D125 M126 I419	F101-R122 PolarHBondContact O-N 3.1Å; R122-A124 VanDerWaalsContact C-N 3.27Å; R122-A124 PolarHBondContact O-N 2.95Å; R122-D125 HydrophobicContact CB-CB 4.22Å; R122-D125 WeakPolarHBondContact CD-OD2 3.49Å; R122-D125 PolarHBondContact O-N 3.22Å; R122-M126 VanDerWaalsContact O-CG 3.26Å; R122-M126 WeakPolarHBondContact O-CG 3.17Å; R122-M126 PolarHBondContact O-N 3.26Å; R122-I419 HydrophobicContact CG-CD1 4.01Å; R122-I419 HydrophobicContact CG-CG1 4.31Å
123	K	85.9	Confident	83.3	Confident	9 Å²	9	44.8 Å²	44.8	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-37.2	-180	-74	-179.8	167.3	-173	0	113.1	M126 L127 Q158 D159 R161 L163 D434 F437	K123-M126 PolarHBondContact O-N 3Å; K123-L127 WeakPolarHBondContact O-CG 3.39Å; K123-L127 PolarHBondContact O-N 3.03Å; K123-Q158 VanDerWaalsContact CE-OE1 3.24Å; K123-D159 VanDerWaalsContact CE-O 3.3Å; K123-D159 WeakPolarHBondContact CE-O 3.33Å; K123-D159 PolarHBondContact NZ-O 3.12Å; K123-R161 VanDerWaalsContact CB-O 3.27Å; K123-R161 WeakPolarHBondContact CB-O 3.47Å; K123-R161 WeakPolarHBondContact CG-O 3.25Å; K123-R161 PolarHBondContact N-O 3.19Å; K123-L163 HydrophobicContact CD-CD2 4.45Å; K123-L163 HydrophobicContact CG-CD2 4.07Å; K123-L163 HydrophobicContact CG-CG 4Å; K123-D434 IonicContact NZ-OD1 3.96Å; K123-D434 PolarHBondContact NZ-OD1 2.8Å; K123-D434 IonicContact NZ-OD2 3.06Å; K123-F437 HydrophobicContact CB-CE2 4.12Å; K123-F437 HydrophobicContact CB-CZ 4.43Å; K123-F437 HydrophobicContact CD-CD2 4.1Å; K123-F437 HydrophobicContact CD-CE2 4.11Å; K123-F437 HydrophobicContact CG-CD2 4.26Å; K123-F437 HydrophobicContact CG-CE2 3.91Å; K123-F437 HydrophobicContact CG-CZ 4.29Å
124	A	83	Confident	82.5	Confident	65 Å²	65	45 Å²	45	54%	0.537	23%	0.232	S	C	.	.	H	α-helix	trans	-58.7	-52.7	178.7	0	0	0	0	0	110.9	R122 M126 L127 E128	R122-A124 VanDerWaalsContact C-N 3.27Å; R122-A124 PolarHBondContact O-N 2.95Å; A124-M126 PolarHBondContact O-N 3.04Å; A124-L127 PolarHBondContact O-N 2.72Å; A124-L127 VanDerWaalsContact O-N 3.14Å; A124-E128 WeakPolarHBondContact O-CB 3.46Å; A124-E128 PolarHBondContact O-N 3.23Å
125	D	79.1	Confident	81.7	Confident	33 Å²	33	43.3 Å²	43.3	18%	0.176	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-34.4	179.3	-55.8	9.1	0	0	0	112	R122 K129	R122-D125 HydrophobicContact CB-CB 4.22Å; R122-D125 WeakPolarHBondContact CD-OD2 3.49Å; R122-D125 PolarHBondContact O-N 3.22Å; D125-K129 VanDerWaalsContact O-CB 3.31Å; D125-K129 WeakPolarHBondContact O-CB 3.22Å; D125-K129 WeakPolarHBondContact O-CG 3.27Å; D125-K129 PolarHBondContact O-N 2.98Å; D125-K129 VanDerWaalsContact O-N 3.14Å
126	M	78	Confident	80.9	Confident	5 Å²	5	47 Å²	47	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-38.2	177.2	-62.6	-65.4	87.6	0	0	113.4	F101 R122 K123 A124 E130 Q131 I135 F437	F101-M126 HydrophobicContact CB-CE 3.39Å; F101-M126 HydrophobicContact CD1-CE 3.1Å; F101-M126 HydrophobicContact CD2-CE 4.25Å; F101-M126 HydrophobicContact CE1-CE 3.81Å; F101-M126 HydrophobicContact CG-CE 3.34Å; R122-M126 VanDerWaalsContact O-CG 3.26Å; R122-M126 WeakPolarHBondContact O-CG 3.17Å; R122-M126 PolarHBondContact O-N 3.26Å; K123-M126 PolarHBondContact O-N 3Å; A124-M126 PolarHBondContact O-N 3.04Å; M126-E130 PolarHBondContact O-N 2.75Å; M126-Q131 HydrophobicContact CE-CB 4.11Å; M126-Q131 HydrophobicContact CE-CG 4.34Å; M126-Q131 PolarHBondContact O-N 2.63Å; M126-Q131 HydrophobicContact SD-CB 4.02Å; M126-I135 HydrophobicContact CB-CD1 3.74Å; M126-I135 HydrophobicContact CG-CD1 3.36Å; M126-I135 HydrophobicContact CG-CG1 4.42Å; M126-I135 HydrophobicContact SD-CD1 3.18Å; M126-I135 WeakPolarHBondContact SD-CD1 3.3Å; M126-I135 HydrophobicContact SD-CG1 3.62Å; M126-F437 HydrophobicContact CB-CZ 4.28Å
127	L	76.7	Confident	79.8	Confident	59 Å²	59	47.6 Å²	47.6	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-76.7	-45.1	177.9	-71.2	170.6	0	0	0	111.2	K123 A124 K129 E130 V132 K433 F437	K123-L127 WeakPolarHBondContact O-CG 3.39Å; K123-L127 PolarHBondContact O-N 3.03Å; A124-L127 PolarHBondContact O-N 2.72Å; A124-L127 VanDerWaalsContact O-N 3.14Å; L127-K129 VanDerWaalsContact C-N 3.28Å; L127-K129 PolarHBondContact O-N 2.95Å; L127-E130 PolarHBondContact O-N 2.79Å; L127-V132 HydrophobicContact CD2-CG2 3.97Å; L127-K433 HydrophobicContact CD1-CB 4.24Å; L127-F437 HydrophobicContact CD1-CE2 4.3Å; L127-F437 HydrophobicContact CD2-CE2 4.31Å; L127-F437 HydrophobicContact CD2-CZ 4.25Å; L127-F437 HydrophobicContact CG-CE2 4.22Å; L127-F437 HydrophobicContact CG-CZ 4.17Å
128	E	72.9	Confident	79	Confident	157 Å²	157	47.5 Å²	47.5	73%	0.734	24%	0.24	S	C	*	.	H	α-helix	trans	-60.7	-38.5	-179.4	-174.6	-179.2	-177.5	0	0	111.8	A124	A124-E128 WeakPolarHBondContact O-CB 3.46Å; A124-E128 PolarHBondContact O-N 3.23Å
129	K	69.4	Low	78.3	Confident	79 Å²	79	49.2 Å²	49.2	34%	0.343	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	11.3	-177.9	-59.7	173.5	178.1	176.3	0	113.5	F101 D125 L127 Q131	F101-K129 HydrophobicContact CD1-CD 3.99Å; F101-K129 HydrophobicContact CE1-CB 4.32Å; F101-K129 HydrophobicContact CE1-CD 3.39Å; F101-K129 HydrophobicContact CE1-CG 4.5Å; F101-K129 HydrophobicContact CZ-CD 4.42Å; D125-K129 VanDerWaalsContact O-CB 3.31Å; D125-K129 WeakPolarHBondContact O-CB 3.22Å; D125-K129 WeakPolarHBondContact O-CG 3.27Å; D125-K129 PolarHBondContact O-N 2.98Å; D125-K129 VanDerWaalsContact O-N 3.14Å; L127-K129 VanDerWaalsContact C-N 3.28Å; L127-K129 PolarHBondContact O-N 2.95Å; K129-Q131 VanDerWaalsContact C-N 3.26Å; K129-Q131 HydrophobicContact CB-CG 3.92Å; K129-Q131 WeakPolarHBondContact O-CG 3.16Å; K129-Q131 PolarHBondContact O-N 2.7Å; K129-Q131 PolarHBondContact O-NE2 3.13Å
130	E	71.6	Confident	77.7	Confident	169 Å²	169	50.8 Å²	50.8	79%	0.79	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	32.9	178	-57	-173.2	167.5	0	0	115.1	M126 L127 V132	M126-E130 PolarHBondContact O-N 2.75Å; L127-E130 PolarHBondContact O-N 2.79Å; E130-V132 PolarHBondContact O-N 2.68Å
131	Q	72.2	Confident	77.2	Confident	34 Å²	34	50.8 Å²	50.8	16%	0.159	26%	0.256	C	S	.	.			trans	-89	5.4	-173.1	-60.1	-61.8	-64.4	0	0	114.3	F101 M126 K129 A133 H134 I135	F101-Q131 HydrophobicContact CE1-CG 3.87Å; F101-Q131 HydrophobicContact CZ-CG 3.98Å; M126-Q131 HydrophobicContact CE-CB 4.11Å; M126-Q131 HydrophobicContact CE-CG 4.34Å; M126-Q131 PolarHBondContact O-N 2.63Å; M126-Q131 HydrophobicContact SD-CB 4.02Å; K129-Q131 VanDerWaalsContact C-N 3.26Å; K129-Q131 HydrophobicContact CB-CG 3.92Å; K129-Q131 WeakPolarHBondContact O-CG 3.16Å; K129-Q131 PolarHBondContact O-N 2.7Å; K129-Q131 PolarHBondContact O-NE2 3.13Å; Q131-A133 VanDerWaalsContact C-N 3.29Å; Q131-A133 PolarHBondContact O-N 3.08Å; Q131-H134 WeakPolarHBondContact O-CB 3.47Å; Q131-H134 PolarHBondContact O-N 3.26Å; Q131-H134 PolarHBondContact OE1-CE1 3.44Å; Q131-H134 PolarHBondContact OE1-ND1 3.36Å; Q131-I135 PolarHBondContact O-N 3.38Å
132	V	73.9	Confident	77	Confident	16 Å²	16	50.5 Å²	50.5	10%	0.097	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-34.2	-171.4	-172.2	0	0	0	0	113	L127 E130 H134 I135 R136 V436 F437	L127-V132 HydrophobicContact CD2-CG2 3.97Å; E130-V132 PolarHBondContact O-N 2.68Å; V132-H134 VanDerWaalsContact C-N 3.28Å; V132-H134 PolarHBondContact O-N 3.21Å; V132-I135 PolarHBondContact O-N 3.23Å; V132-R136 WeakPolarHBondContact O-CG 3.46Å; V132-R136 PolarHBondContact O-N 2.87Å; V132-V436 HydrophobicContact CB-CG1 4.12Å; V132-V436 HydrophobicContact CG1-CB 4.34Å; V132-V436 HydrophobicContact CG1-CG1 3.45Å; V132-V436 VanDerWaalsContact CG1-CG1 3.45Å; V132-V436 HydrophobicContact CG2-CG1 4.32Å; V132-F437 HydrophobicContact CB-CE1 4.43Å; V132-F437 HydrophobicContact CG1-CD1 4.15Å; V132-F437 HydrophobicContact CG1-CE1 3.74Å; V132-F437 HydrophobicContact CG1-CZ 4.48Å; V132-F437 HydrophobicContact CG2-CE1 3.96Å; V132-F437 HydrophobicContact CG2-CZ 3.98Å
133	A	71.4	Confident	76.7	Confident	66 Å²	66	47.4 Å²	47.4	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-37.6	174.8	0	0	0	0	0	111.8	Q131 R136 A137	Q131-A133 VanDerWaalsContact C-N 3.29Å; Q131-A133 PolarHBondContact O-N 3.08Å; A133-R136 PolarHBondContact O-N 3.31Å; A133-A137 PolarHBondContact O-N 3.46Å; A133-A137 VanDerWaalsContact O-N 3.08Å
134	H	72.1	Confident	76.2	Confident	36 Å²	36	52.9 Å²	52.9	17%	0.167	27%	0.273	C	S	.	.	H	α-helix	trans	-69.4	-40	179.2	-59.3	155.2	0	0	0	112.6	Q131 V132 R136 A137 E138 G233	Q131-H134 WeakPolarHBondContact O-CB 3.47Å; Q131-H134 PolarHBondContact O-N 3.26Å; Q131-H134 PolarHBondContact OE1-CE1 3.44Å; Q131-H134 PolarHBondContact OE1-ND1 3.36Å; V132-H134 VanDerWaalsContact C-N 3.28Å; V132-H134 PolarHBondContact O-N 3.21Å; H134-R136 VanDerWaalsContact C-N 3.27Å; H134-R136 PolarHBondContact O-N 3.37Å; H134-A137 PolarHBondContact O-N 2.94Å; H134-E138 WeakPolarHBondContact O-CB 3.24Å; H134-E138 PolarHBondContact O-N 3.12Å; H134-G233 WeakPolarHBondContact CB-O 3.35Å
135	I	74.2	Confident	76	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.036	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-40.6	175.3	-59.7	165.3	0	0	0	111.2	M126 Q131 V132 E138 R139 L163 F437 Y440	M126-I135 HydrophobicContact CB-CD1 3.74Å; M126-I135 HydrophobicContact CG-CD1 3.36Å; M126-I135 HydrophobicContact CG-CG1 4.42Å; M126-I135 HydrophobicContact SD-CD1 3.18Å; M126-I135 WeakPolarHBondContact SD-CD1 3.3Å; M126-I135 HydrophobicContact SD-CG1 3.62Å; Q131-I135 PolarHBondContact O-N 3.38Å; V132-I135 PolarHBondContact O-N 3.23Å; I135-E138 PolarHBondContact O-N 3.25Å; I135-R139 WeakPolarHBondContact O-CB 3.47Å; I135-R139 PolarHBondContact O-N 2.96Å; I135-L163 HydrophobicContact CD1-CD1 3.71Å; I135-L163 HydrophobicContact CG2-CD1 3.99Å; I135-F437 HydrophobicContact CD1-CE1 4.09Å; I135-Y440 HydrophobicContact CG2-CD2 4.18Å; I135-Y440 HydrophobicContact CG2-CE2 3.55Å
136	R	76.3	Confident	75.5	Confident	105 Å²	105	53 Å²	53	40%	0.396	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-46.8	177.3	-72	178.6	176.7	-162.4	-0.7	110.4	V132 A133 H134 E138 R139 D140 V436	V132-R136 WeakPolarHBondContact O-CG 3.46Å; V132-R136 PolarHBondContact O-N 2.87Å; A133-R136 PolarHBondContact O-N 3.31Å; H134-R136 VanDerWaalsContact C-N 3.27Å; H134-R136 PolarHBondContact O-N 3.37Å; R136-E138 PolarHBondContact O-N 3.01Å; R136-R139 PolarHBondContact O-N 3.26Å; R136-D140 WeakPolarHBondContact O-CB 3.47Å; R136-D140 PolarHBondContact O-N 2.75Å; R136-V436 PolarHBondContact NH2-O 3.3Å
137	A	72.2	Confident	75.5	Confident	13 Å²	13	53.8 Å²	53.8	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-43.7	176.4	0	0	0	0	0	112.4	A133 H134 R139 D140 I141 C235	A133-A137 PolarHBondContact O-N 3.46Å; A133-A137 VanDerWaalsContact O-N 3.08Å; H134-A137 PolarHBondContact O-N 2.94Å; A137-R139 PolarHBondContact O-N 3.49Å; A137-D140 PolarHBondContact O-N 2.88Å; A137-I141 VanDerWaalsContact O-CG1 3.31Å; A137-I141 WeakPolarHBondContact O-CG1 3.45Å; A137-I141 PolarHBondContact O-N 3.3Å; A137-C235 WeakPolarHBondContact CB-O 3.28Å
138	E	78.8	Confident	76.1	Confident	5 Å²	5	52.4 Å²	52.4	2%	0.023	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-48.1	176.3	176.7	175.2	-162.8	0	0	111.2	K119 H134 I135 R136 L142 F232	K119-E138 IonicContact NZ-OE1 3.93Å; K119-E138 PolarHBondContact NZ-OE1 3.4Å; K119-E138 IonicContact NZ-OE2 3.39Å; H134-E138 WeakPolarHBondContact O-CB 3.24Å; H134-E138 PolarHBondContact O-N 3.12Å; I135-E138 PolarHBondContact O-N 3.25Å; R136-E138 PolarHBondContact O-N 3.01Å; E138-L142 HydrophobicContact CG-CD1 3.87Å; E138-L142 WeakPolarHBondContact O-CB 3.32Å; E138-L142 WeakPolarHBondContact O-CD1 3.44Å; E138-L142 WeakPolarHBondContact O-CG 3.25Å; E138-L142 PolarHBondContact O-N 3.19Å; E138-F232 HydrophobicContact CB-CB 4.07Å; E138-F232 HydrophobicContact CG-CB 4.04Å
139	R	79.9	Confident	77.1	Confident	37 Å²	37	46.5 Å²	46.5	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-48.2	176.7	-175.3	-158.8	65.7	-166.3	-6.4	111.4	I135 R136 A137 I141 L142 V143 M153 N439	I135-R139 WeakPolarHBondContact O-CB 3.47Å; I135-R139 PolarHBondContact O-N 2.96Å; R136-R139 PolarHBondContact O-N 3.26Å; A137-R139 PolarHBondContact O-N 3.49Å; R139-I141 PolarHBondContact O-N 3.27Å; R139-L142 PolarHBondContact O-N 2.95Å; R139-V143 HydrophobicContact CG-CG2 4.43Å; R139-V143 VanDerWaalsContact O-CG2 3.31Å; R139-V143 WeakPolarHBondContact O-CG2 3.31Å; R139-V143 PolarHBondContact O-N 3.1Å; R139-M153 HydrophobicContact CG-CE 4.11Å; R139-M153 HydrophobicContact CG-SD 4.36Å; R139-N439 PolarHBondContact NH1-O 3.46Å
140	D	79.3	Confident	78.2	Confident	57 Å²	57	42.9 Å²	42.9	31%	0.305	23%	0.227	S	C	.	.	H	α-helix	trans	-64.5	-42.8	-173.8	-65.1	-12.9	0	0	0	111	R136 A137 L142 V143 E144	R136-D140 WeakPolarHBondContact O-CB 3.47Å; R136-D140 PolarHBondContact O-N 2.75Å; A137-D140 PolarHBondContact O-N 2.88Å; D140-L142 PolarHBondContact O-N 2.92Å; D140-V143 PolarHBondContact O-N 3.11Å; D140-E144 PolarHBondContact O-N 3.26Å
141	I	80.9	Confident	79.1	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-49.9	171.4	-68.1	165.1	0	0	0	110.4	A137 R139 V143 E144 A145 F209 F232 C235	A137-I141 VanDerWaalsContact O-CG1 3.31Å; A137-I141 WeakPolarHBondContact O-CG1 3.45Å; A137-I141 PolarHBondContact O-N 3.3Å; R139-I141 PolarHBondContact O-N 3.27Å; I141-V143 PolarHBondContact O-N 3.01Å; I141-E144 PolarHBondContact O-N 3.01Å; I141-A145 HydrophobicContact CG2-CB 4.18Å; I141-A145 WeakPolarHBondContact O-CB 3.42Å; I141-A145 PolarHBondContact O-N 2.64Å; I141-F209 HydrophobicContact CD1-CB 3.86Å; I141-F209 HydrophobicContact CD1-CD1 3.51Å; I141-F209 HydrophobicContact CD1-CD2 4.38Å; I141-F209 HydrophobicContact CD1-CE1 4.09Å; I141-F209 HydrophobicContact CD1-CG 3.66Å; I141-F209 HydrophobicContact CG1-CB 4.08Å; I141-F209 HydrophobicContact CG1-CD1 3.35Å; I141-F209 HydrophobicContact CG1-CD2 3.66Å; I141-F209 HydrophobicContact CG1-CE1 3.52Å; I141-F209 HydrophobicContact CG1-CE2 3.82Å; I141-F209 HydrophobicContact CG1-CG 3.41Å; I141-F209 VanDerWaalsContact CG1-CG 3.41Å; I141-F209 HydrophobicContact CG1-CZ 3.75Å; I141-F232 HydrophobicContact CB-CG 4.34Å; I141-F232 HydrophobicContact CD1-CB 3.93Å; I141-F232 HydrophobicContact CD1-CD1 4.12Å; I141-F232 HydrophobicContact CD1-CG 4.19Å; I141-F232 HydrophobicContact CG2-CD1 3.82Å; I141-F232 HydrophobicContact CG2-CD2 4.1Å; I141-F232 HydrophobicContact CG2-CE1 3.98Å; I141-F232 HydrophobicContact CG2-CE2 4.28Å; I141-F232 HydrophobicContact CG2-CG 3.89Å; I141-F232 HydrophobicContact CG2-CZ 4.22Å; I141-C235 HydrophobicContact CD1-CB 3.31Å
142	L	82.8	Confident	80	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-29.3	-178.4	-73.7	171	0	0	0	112.5	E138 R139 D140 V150 V151 M153 M167 F232 R444	E138-L142 HydrophobicContact CG-CD1 3.87Å; E138-L142 WeakPolarHBondContact O-CB 3.32Å; E138-L142 WeakPolarHBondContact O-CD1 3.44Å; E138-L142 WeakPolarHBondContact O-CG 3.25Å; E138-L142 PolarHBondContact O-N 3.19Å; R139-L142 PolarHBondContact O-N 2.95Å; D140-L142 PolarHBondContact O-N 2.92Å; L142-V150 HydrophobicContact CD2-CG1 3.92Å; L142-V151 WeakPolarHBondContact CD2-O 3.32Å; L142-M153 HydrophobicContact CB-CB 3.76Å; L142-M153 HydrophobicContact CB-CE 4.16Å; L142-M153 HydrophobicContact CB-SD 4.21Å; L142-M153 HydrophobicContact CD1-CB 4.26Å; L142-M153 HydrophobicContact CD1-SD 4.34Å; L142-M153 HydrophobicContact CG-CB 4.42Å; L142-M167 HydrophobicContact CD1-SD 4.43Å; L142-F232 HydrophobicContact CD2-CD2 3.9Å; L142-F232 HydrophobicContact CD2-CE2 3.73Å; L142-F232 HydrophobicContact CG-CD2 4.02Å; L142-F232 HydrophobicContact CG-CE2 4.34Å; L142-R444 PolarHBondContact O-NH2 3.15Å
143	V	79.6	Confident	80.7	Confident	41 Å²	41	35.1 Å²	35.1	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-71.8	-47.2	174.9	171.2	0	0	0	0	111.3	R139 D140 I141 M153 Y442	R139-V143 HydrophobicContact CG-CG2 4.43Å; R139-V143 VanDerWaalsContact O-CG2 3.31Å; R139-V143 WeakPolarHBondContact O-CG2 3.31Å; R139-V143 PolarHBondContact O-N 3.1Å; D140-V143 PolarHBondContact O-N 3.11Å; I141-V143 PolarHBondContact O-N 3.01Å; V143-M153 HydrophobicContact CB-CE 4.46Å; V143-M153 HydrophobicContact CG2-CE 3.31Å; V143-Y442 HydrophobicContact CB-CE2 4.38Å; V143-Y442 HydrophobicContact CG1-CD2 4.41Å; V143-Y442 HydrophobicContact CG1-CE2 3.68Å; V143-Y442 HydrophobicContact CG2-CD1 4.04Å; V143-Y442 HydrophobicContact CG2-CD2 3.81Å; V143-Y442 HydrophobicContact CG2-CE1 3.96Å; V143-Y442 HydrophobicContact CG2-CE2 3.74Å; V143-Y442 HydrophobicContact CG2-CG 3.96Å
144	E	76.2	Confident	81.5	Confident	123 Å²	123	32.1 Å²	32.1	58%	0.575	16%	0.164	S	C	*	.	H	α-helix	trans	-85.6	-30	-170.9	-67.4	-178.6	-173.5	0	0	114	D140 I141	D140-E144 PolarHBondContact O-N 3.26Å; I141-E144 PolarHBondContact O-N 3.01Å
145	A	78.9	Confident	82.3	Confident	7 Å²	7	30.7 Å²	30.7	6%	0.058	16%	0.158	C	C	.	.	S	Bend	trans	-70.1	151.8	-170.6	0	0	0	0	0	114	I141 G147 V150 L207	I141-A145 HydrophobicContact CG2-CB 4.18Å; I141-A145 WeakPolarHBondContact O-CB 3.42Å; I141-A145 PolarHBondContact O-N 2.64Å; A145-G147 PolarHBondContact O-N 2.71Å; A145-V150 HydrophobicContact CB-CB 3.77Å; A145-V150 HydrophobicContact CB-CG1 3.87Å; A145-V150 HydrophobicContact CB-CG2 3.76Å; A145-L207 HydrophobicContact CB-CD1 3.95Å
146	D	68.9	Low	83.1	Confident	94 Å²	94	30.5 Å²	30.5	50%	0.503	16%	0.157	S	C	.	.			trans	-64.5	125.2	174.7	-172.8	-4	0	0	0	110.6	A148 W149 V150	D146-A148 PolarHBondContact O-N 2.75Å; D146-A148 VanDerWaalsContact O-N 3.12Å; D146-A148 PolarHBondContact OD1-N 2.81Å; D146-W149 PolarHBondContact O-N 2.89Å; D146-V150 PolarHBondContact O-N 2.82Å
147	G	77.3	Confident	83.7	Confident	21 Å²	21	25.8 Å²	25.8	22%	0.216	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.6	177	0	0	0	0	0	113.9	A145 K228	A145-G147 PolarHBondContact O-N 2.71Å; G147-K228 WeakPolarHBondContact O-CE 3.39Å; G147-K228 PolarHBondContact O-NZ 3.18Å
148	A	88.5	Confident	84.5	Confident	31 Å²	31	27.5 Å²	27.5	26%	0.256	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-48.9	171	0	0	0	0	0	111.5	D146 R392	D146-A148 PolarHBondContact O-N 2.75Å; D146-A148 VanDerWaalsContact O-N 3.12Å; D146-A148 PolarHBondContact OD1-N 2.81Å; A148-R392 PolarHBondContact O-NE 3.28Å; A148-R392 PolarHBondContact O-NH1 3.2Å; A148-R392 PolarHBondContact O-NH2 3.44Å
149	W	93.8	Very high	84.9	Confident	33 Å²	33	30.1 Å²	30.1	13%	0.125	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-17.7	-170.8	-62.4	113	0	0	0	114.5	D146 E196 L199 A200 K228 L229 I391 R392	D146-W149 PolarHBondContact O-N 2.89Å; W149-E196 HydrophobicContact CH2-CG 4.44Å; W149-E196 HydrophobicContact CZ3-CB 3.92Å; W149-E196 HydrophobicContact CZ3-CG 4.17Å; W149-E196 WeakPolarHBondContact CZ3-O 3.23Å; W149-L199 HydrophobicContact CD2-CB 4.31Å; W149-L199 HydrophobicContact CE3-CB 4.41Å; W149-L199 HydrophobicContact CH2-CB 3.83Å; W149-L199 HydrophobicContact CH2-CD1 3.63Å; W149-L199 HydrophobicContact CH2-CG 4.38Å; W149-L199 HydrophobicContact CZ2-CB 3.69Å; W149-L199 HydrophobicContact CZ2-CD1 3.6Å; W149-L199 HydrophobicContact CZ2-CG 4.29Å; W149-L199 HydrophobicContact CZ3-CB 4.18Å; W149-A200 HydrophobicContact CB-CB 3.89Å; W149-A200 HydrophobicContact CD2-CB 4.23Å; W149-A200 HydrophobicContact CE3-CB 3.83Å; W149-A200 HydrophobicContact CG-CB 4.29Å; W149-K228 CarbonylContact O-C 3.52Å; W149-K228 VanDerWaalsContact O-CA 3.32Å; W149-K228 WeakPolarHBondContact O-CA 3.36Å; W149-L229 PolarHBondContact O-N 2.89Å; W149-I391 HydrophobicContact CH2-CG2 4.29Å; W149-R392 HydrophobicContact CH2-CB 4.28Å; W149-R392 HydrophobicContact CH2-CG 4.44Å
150	V	92.7	Very high	85.2	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.012	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-118.5	141.8	-179.4	172.6	0	0	0	0	109.4	L142 A145 D146 K152 I204 L229 F232	L142-V150 HydrophobicContact CD2-CG1 3.92Å; A145-V150 HydrophobicContact CB-CB 3.77Å; A145-V150 HydrophobicContact CB-CG1 3.87Å; A145-V150 HydrophobicContact CB-CG2 3.76Å; D146-V150 PolarHBondContact O-N 2.82Å; V150-K152 PolarHBondContact O-N 3.12Å; V150-I204 HydrophobicContact CG2-CG2 3.6Å; V150-L229 HydrophobicContact CG2-CB 4.48Å; V150-F232 HydrophobicContact CB-CZ 4.15Å; V150-F232 HydrophobicContact CG1-CE2 3.39Å; V150-F232 HydrophobicContact CG1-CZ 3.38Å; V150-F232 HydrophobicContact CG2-CE1 4.46Å; V150-F232 HydrophobicContact CG2-CZ 3.82Å
151	V	92.2	Very high	85.5	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.03	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-52.8	126.1	173.5	173	0	0	0	0	110.2	L142 M153 M167 E168 L170 L220 K228 L229	L142-V151 WeakPolarHBondContact CD2-O 3.32Å; V151-M153 PolarHBondContact O-N 2.83Å; V151-M167 HydrophobicContact CG1-CB 3.79Å; V151-M167 HydrophobicContact CG1-CG 4.23Å; V151-M167 HydrophobicContact CG1-SD 4.07Å; V151-E168 HydrophobicContact CG1-CG 4.1Å; V151-L170 HydrophobicContact CG2-CD1 3.79Å; V151-L220 HydrophobicContact CG2-CD1 3.88Å; V151-K228 HydrophobicContact CG2-CB 4.32Å; V151-L229 WeakPolarHBondContact CG2-O 3.35Å; V151-L229 PolarHBondContact N-O 2.78Å
152	K	89.9	Confident	85.8	Confident	51 Å²	51	38 Å²	38	22%	0.222	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-76.8	118.7	-179.4	-168.4	169.9	-173.4	168.4	0	111.5	V150 F154 M167 E168 R444	V150-K152 PolarHBondContact O-N 3.12Å; K152-F154 HydrophobicContact CD-CE1 4.04Å; K152-F154 HydrophobicContact CD-CZ 3.85Å; K152-F154 HydrophobicContact CG-CE1 4.34Å; K152-F154 HydrophobicContact CG-CE2 4.46Å; K152-F154 HydrophobicContact CG-CZ 4.09Å; K152-M167 CarbonylContact O-C 3.48Å; K152-M167 VanDerWaalsContact O-CA 3.31Å; K152-M167 WeakPolarHBondContact O-CA 3.26Å; K152-E168 HydrophobicContact CB-CG 4.13Å; K152-E168 VanDerWaalsContact CB-OE1 3.23Å; K152-E168 WeakPolarHBondContact CB-OE1 3.3Å; K152-E168 PolarHBondContact N-OE1 3.08Å; K152-E168 PolarHBondContact O-N 2.83Å; K152-R444 VanDerWaalsContact CE-CD 3.4Å
153	M	89.4	Confident	86.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.2	170.3	-177.7	-168.7	61.9	0	0	111.6	R139 L142 V143 V151 L165 I166 M167 Y442 R444	R139-M153 HydrophobicContact CG-CE 4.11Å; R139-M153 HydrophobicContact CG-SD 4.36Å; L142-M153 HydrophobicContact CB-CB 3.76Å; L142-M153 HydrophobicContact CB-CE 4.16Å; L142-M153 HydrophobicContact CB-SD 4.21Å; L142-M153 HydrophobicContact CD1-CB 4.26Å; L142-M153 HydrophobicContact CD1-SD 4.34Å; L142-M153 HydrophobicContact CG-CB 4.42Å; V143-M153 HydrophobicContact CB-CE 4.46Å; V143-M153 HydrophobicContact CG2-CE 3.31Å; V151-M153 PolarHBondContact O-N 2.83Å; M153-L165 HydrophobicContact SD-CD2 3.66Å; M153-I166 CarbonylContact C-O 3.57Å; M153-M167 HydrophobicContact CB-CG 4.36Å; M153-M167 HydrophobicContact CG-CG 4.48Å; M153-Y442 HydrophobicContact CE-CD1 3.43Å; M153-Y442 VanDerWaalsContact CE-CD1 3.43Å; M153-Y442 HydrophobicContact CE-CE1 3.78Å; M153-Y442 HydrophobicContact CE-CG 4.12Å; M153-R444 VanDerWaalsContact O-CZ 3.26Å; M153-R444 PolarHBondContact O-NE 3.31Å; M153-R444 PolarHBondContact O-NH2 3.42Å
154	F	87.9	Confident	86.7	Confident	3 Å²	3	36 Å²	36	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-45.9	177.8	-67	-77.6	0	0	0	113.5	Y116 K152 I166 E168 R444	Y116-F154 AromaticContact CD1-CD2 3.77Å; Y116-F154 HydrophobicContact CD1-CD2 3.77Å; Y116-F154 HydrophobicContact CD1-CE2 4.22Å; Y116-F154 HydrophobicContact CE1-CB 4.44Å; Y116-F154 AromaticContact CE1-CD2 3.56Å; Y116-F154 HydrophobicContact CE1-CD2 3.56Å; Y116-F154 AromaticContact CE1-CE2 3.94Å; Y116-F154 HydrophobicContact CE1-CE2 3.94Å; Y116-F154 AromaticContact CE1-CG 3.98Å; Y116-F154 HydrophobicContact CE1-CG 3.98Å; K152-F154 HydrophobicContact CD-CE1 4.04Å; K152-F154 HydrophobicContact CD-CZ 3.85Å; K152-F154 HydrophobicContact CG-CE1 4.34Å; K152-F154 HydrophobicContact CG-CE2 4.46Å; K152-F154 HydrophobicContact CG-CZ 4.09Å; F154-I166 PolarHBondContact N-O 3.1Å; F154-E168 HydrophobicContact CE2-CB 3.87Å; F154-R444 WeakPolarHBondContact O-CB 3.18Å; F154-R444 PolarHBondContact O-N 2.83Å
155	Y	88.9	Confident	87.4	Confident	7 Å²	7	30.2 Å²	30.2	3%	0.027	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.7	-175.1	-40.1	-67.1	0	0	0	110	L80 L85 F90 K109 Y116 I166 Y442 K443 G447	L80-Y155 HydrophobicContact CD2-CE1 4.3Å; L85-Y155 HydrophobicContact CD1-CD1 3.76Å; L85-Y155 HydrophobicContact CD1-CD2 4.44Å; L85-Y155 HydrophobicContact CD1-CE1 4.27Å; L85-Y155 HydrophobicContact CD1-CG 3.87Å; F90-Y155 HydrophobicContact CZ-CD2 4.12Å; F90-Y155 HydrophobicContact CZ-CE2 4.47Å; K109-Y155 HydrophobicContact CD-CE2 4.46Å; Y116-Y155 HydrophobicContact CE1-CE2 4.5Å; Y155-I166 HydrophobicContact CD2-CB 3.76Å; Y155-I166 HydrophobicContact CD2-CG1 4.09Å; Y155-I166 HydrophobicContact CD2-CG2 3.71Å; Y155-I166 HydrophobicContact CE2-CG2 4.31Å; Y155-I166 HydrophobicContact CG-CB 4.35Å; Y155-I166 PolarHBondContact N-O 2.76Å; Y155-I166 PolarHBondContact O-N 3.39Å; Y155-Y442 WeakPolarHBondContact CA-O 3.27Å; Y155-K443 HydrophobicContact CD1-CB 4.26Å; Y155-K443 HydrophobicContact CD1-CG 4.31Å; Y155-G447 PolarHBondContact OH-O 3.42Å
156	S	89.9	Confident	88.1	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.9	160.9	60.6	0	0	0	0	109.1	Y164 Y440 T441 Y442	S156-Y164 CarbonylContact C-O 3.56Å; S156-Y164 WeakPolarHBondContact CA-O 3.11Å; S156-Y164 WeakPolarHBondContact CB-O 3.36Å; S156-Y440 WeakPolarHBondContact CB-O 3.1Å; S156-Y440 PolarHBondContact OG-O 3.48Å; S156-T441 VanDerWaalsContact O-CA 3.24Å; S156-T441 WeakPolarHBondContact O-CA 3.42Å; S156-T441 WeakPolarHBondContact O-CG2 3.43Å; S156-Y442 PolarHBondContact N-O 2.83Å; S156-Y442 PolarHBondContact O-N 2.81Å; S156-Y442 VanDerWaalsContact OG-CB 3.25Å; S156-Y442 WeakPolarHBondContact OG-CB 3.16Å; S156-Y442 PolarHBondContact OG-N 2.97Å
157	F	89.8	Confident	89.2	Confident	6 Å²	6	26.4 Å²	26.4	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	170.7	177.6	60	-91.4	0	0	0	109.9	L85 F90 Y164 I166 Y440	L85-F157 HydrophobicContact CB-CD1 4.48Å; F90-F157 HydrophobicContact CD2-CE1 4.32Å; F90-F157 HydrophobicContact CD2-CZ 4.21Å; F90-F157 AromaticContact CE2-CE1 3.75Å; F90-F157 HydrophobicContact CE2-CE1 3.75Å; F90-F157 HydrophobicContact CE2-CZ 4.1Å; F90-F157 HydrophobicContact CZ-CE1 4.48Å; F157-Y164 AromaticContact CD2-CD2 3.49Å; F157-Y164 HydrophobicContact CD2-CD2 3.49Å; F157-Y164 VanDerWaalsContact CD2-CD2 3.49Å; F157-Y164 HydrophobicContact CD2-CE2 4.27Å; F157-Y164 AromaticContact CD2-CG 3.85Å; F157-Y164 HydrophobicContact CD2-CG 3.85Å; F157-Y164 HydrophobicContact CE2-CD1 4.02Å; F157-Y164 AromaticContact CE2-CD2 3.33Å; F157-Y164 HydrophobicContact CE2-CD2 3.33Å; F157-Y164 AromaticContact CE2-CE2 3.97Å; F157-Y164 HydrophobicContact CE2-CE2 3.97Å; F157-Y164 AromaticContact CE2-CG 3.36Å; F157-Y164 HydrophobicContact CE2-CG 3.36Å; F157-Y164 HydrophobicContact CG-CD2 4.45Å; F157-Y164 HydrophobicContact CZ-CD1 4.23Å; F157-Y164 HydrophobicContact CZ-CD2 4.21Å; F157-Y164 AromaticContact CZ-CG 3.77Å; F157-Y164 HydrophobicContact CZ-CG 3.77Å; F157-Y164 PolarHBondContact N-O 2.94Å; F157-Y164 WeakPolarHBondContact O-CB 3.16Å; F157-Y164 WeakPolarHBondContact O-CD2 3.43Å; F157-Y164 PolarHBondContact O-N 2.88Å; F157-I166 HydrophobicContact CD1-CG1 4.42Å; F157-I166 HydrophobicContact CE1-CD1 3.89Å; F157-I166 HydrophobicContact CE1-CG1 3.73Å; F157-I166 HydrophobicContact CZ-CD1 4.37Å; F157-Y440 WeakPolarHBondContact O-CD1 3.35Å; F157-Y440 WeakPolarHBondContact O-CE1 3.37Å
158	Q	89	Confident	90	Very high	49 Å²	49	27.2 Å²	27.2	23%	0.229	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	155.9	-178	64.1	-177.8	-62.1	0	0	110.6	K123 N162 L163 F437 Y440	K123-Q158 VanDerWaalsContact CE-OE1 3.24Å; Q158-N162 WeakPolarHBondContact CA-O 3.49Å; Q158-L163 HydrophobicContact CB-CD2 3.63Å; Q158-F437 PolarHBondContact NE2-O 3.33Å; Q158-Y440 HydrophobicContact CB-CD1 4.15Å
159	D	87.4	Confident	90.3	Very high	60 Å²	60	26.8 Å²	26.8	32%	0.321	12%	0.119	S	C	.	.			trans	-120.4	-159.9	165.8	67.1	31	0	0	0	110.5	K123 R161 N162 Y164	K123-D159 VanDerWaalsContact CE-O 3.3Å; K123-D159 WeakPolarHBondContact CE-O 3.33Å; K123-D159 PolarHBondContact NZ-O 3.12Å; D159-R161 VanDerWaalsContact C-N 3.27Å; D159-R161 PolarHBondContact O-N 2.83Å; D159-R161 WeakPolarHBondContact OD1-CA 3.48Å; D159-R161 PolarHBondContact OD1-N 3.1Å; D159-N162 PolarHBondContact N-O 3.43Å; D159-N162 PolarHBondContact OD1-N 3.38Å; D159-Y164 HydrophobicContact CB-CE2 4.27Å; D159-Y164 VanDerWaalsContact OD2-CE2 3.25Å; D159-Y164 WeakPolarHBondContact OD2-CE2 3.42Å; D159-Y164 VanDerWaalsContact OD2-CZ 3.29Å; D159-Y164 PolarHBondContact OD2-OH 3.49Å
160	K	85.1	Confident	90.4	Very high	146 Å²	146	25.7 Å²	25.7	64%	0.635	12%	0.115	S	C	*	.	S	Bend	trans	-67.2	-24.9	179.6	-67.1	-173.1	175.7	-172.7	0	113.6	E428	K160-E428 IonicContact NZ-OE1 3.48Å
161	R	85.4	Confident	90.5	Very high	103 Å²	103	26 Å²	26	39%	0.389	12%	0.118	S	C	.	.	S	Bend	trans	-117.2	-36.1	-169.8	-65.3	-176	177.8	-173.1	0.9	112.9	K123 D159 V423	K123-R161 VanDerWaalsContact CB-O 3.27Å; K123-R161 WeakPolarHBondContact CB-O 3.47Å; K123-R161 WeakPolarHBondContact CG-O 3.25Å; K123-R161 PolarHBondContact N-O 3.19Å; D159-R161 VanDerWaalsContact C-N 3.27Å; D159-R161 PolarHBondContact O-N 2.83Å; D159-R161 WeakPolarHBondContact OD1-CA 3.48Å; D159-R161 PolarHBondContact OD1-N 3.1Å; R161-V423 VanDerWaalsContact NH1-CB 3.32Å; R161-V423 PolarHBondContact NH2-O 3.07Å; R161-V423 VanDerWaalsContact NH2-O 3.11Å
162	N	88.9	Confident	90.6	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.064	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.8	-166.3	-61.5	-34.5	0	0	0	112.2	I120 L121 Q158 D159 Y164	I120-N162 HydrophobicContact CG2-CB 3.98Å; L121-N162 CarbonylContact O-C 3.56Å; L121-N162 VanDerWaalsContact O-CA 3.26Å; L121-N162 WeakPolarHBondContact O-CA 3.39Å; Q158-N162 WeakPolarHBondContact CA-O 3.49Å; D159-N162 PolarHBondContact N-O 3.43Å; D159-N162 PolarHBondContact OD1-N 3.38Å; N162-Y164 HydrophobicContact CB-CD2 4.45Å; N162-Y164 HydrophobicContact CB-CE1 4.21Å; N162-Y164 HydrophobicContact CB-CE2 3.68Å; N162-Y164 WeakPolarHBondContact CB-OH 3.16Å; N162-Y164 PolarHBondContact ND2-OH 2.92Å
163	L	89.4	Confident	90.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	142.2	165	-55.3	178.2	0	0	0	108.6	I120 L121 K123 I135 Q158 F437 Y440	I120-L163 WeakPolarHBondContact CA-O 3.49Å; L121-L163 HydrophobicContact CB-CB 4.28Å; L121-L163 PolarHBondContact N-O 2.83Å; L121-L163 PolarHBondContact O-N 2.95Å; K123-L163 HydrophobicContact CD-CD2 4.45Å; K123-L163 HydrophobicContact CG-CD2 4.07Å; K123-L163 HydrophobicContact CG-CG 4Å; I135-L163 HydrophobicContact CD1-CD1 3.71Å; I135-L163 HydrophobicContact CG2-CD1 3.99Å; Q158-L163 HydrophobicContact CB-CD2 3.63Å; L163-F437 HydrophobicContact CD1-CD1 3.71Å; L163-F437 HydrophobicContact CD1-CE1 3.67Å; L163-F437 HydrophobicContact CD1-CZ 4.46Å; L163-F437 HydrophobicContact CD2-CB 4.26Å; L163-F437 HydrophobicContact CD2-CD1 4Å; L163-F437 HydrophobicContact CD2-CG 4.06Å; L163-F437 HydrophobicContact CG-CD1 4.43Å; L163-Y440 HydrophobicContact CB-CD1 4.47Å; L163-Y440 HydrophobicContact CB-CE1 3.77Å; L163-Y440 HydrophobicContact CB-CE2 4.22Å; L163-Y440 HydrophobicContact CD1-CD2 4.34Å; L163-Y440 HydrophobicContact CD1-CE2 4.03Å; L163-Y440 HydrophobicContact CD2-CD1 3.99Å; L163-Y440 HydrophobicContact CD2-CD2 4.35Å; L163-Y440 HydrophobicContact CD2-CE1 4.14Å; L163-Y440 HydrophobicContact CD2-CE2 4.5Å; L163-Y440 HydrophobicContact CD2-CG 4.08Å; L163-Y440 HydrophobicContact CG-CE1 4.45Å; L163-Y440 HydrophobicContact CG-CE2 4.5Å
164	Y	91.4	Very high	91	Very high	2 Å²	2	25 Å²	25	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.8	-175.6	-56.9	-90.9	0	0	0	110.4	L87 M118 K119 I120 S156 F157 D159 N162 L420 Y440	L87-Y164 HydrophobicContact CD1-CD1 4.44Å; L87-Y164 HydrophobicContact CD1-CE1 3.9Å; M118-Y164 HydrophobicContact CG-CD1 4.32Å; M118-Y164 HydrophobicContact SD-CD1 3.93Å; K119-Y164 WeakPolarHBondContact O-CA 3.31Å; I120-Y164 HydrophobicContact CG1-CD1 4.02Å; I120-Y164 HydrophobicContact CG1-CE1 4.11Å; I120-Y164 HydrophobicContact CG2-CD1 4.22Å; I120-Y164 HydrophobicContact CG2-CE1 3.84Å; S156-Y164 CarbonylContact C-O 3.56Å; S156-Y164 WeakPolarHBondContact CA-O 3.11Å; S156-Y164 WeakPolarHBondContact CB-O 3.36Å; F157-Y164 AromaticContact CD2-CD2 3.49Å; F157-Y164 HydrophobicContact CD2-CD2 3.49Å; F157-Y164 VanDerWaalsContact CD2-CD2 3.49Å; F157-Y164 HydrophobicContact CD2-CE2 4.27Å; F157-Y164 AromaticContact CD2-CG 3.85Å; F157-Y164 HydrophobicContact CD2-CG 3.85Å; F157-Y164 HydrophobicContact CE2-CD1 4.02Å; F157-Y164 AromaticContact CE2-CD2 3.33Å; F157-Y164 HydrophobicContact CE2-CD2 3.33Å; F157-Y164 AromaticContact CE2-CE2 3.97Å; F157-Y164 HydrophobicContact CE2-CE2 3.97Å; F157-Y164 AromaticContact CE2-CG 3.36Å; F157-Y164 HydrophobicContact CE2-CG 3.36Å; F157-Y164 HydrophobicContact CG-CD2 4.45Å; F157-Y164 HydrophobicContact CZ-CD1 4.23Å; F157-Y164 HydrophobicContact CZ-CD2 4.21Å; F157-Y164 AromaticContact CZ-CG 3.77Å; F157-Y164 HydrophobicContact CZ-CG 3.77Å; F157-Y164 PolarHBondContact N-O 2.94Å; F157-Y164 WeakPolarHBondContact O-CB 3.16Å; F157-Y164 WeakPolarHBondContact O-CD2 3.43Å; F157-Y164 PolarHBondContact O-N 2.88Å; D159-Y164 HydrophobicContact CB-CE2 4.27Å; D159-Y164 VanDerWaalsContact OD2-CE2 3.25Å; D159-Y164 WeakPolarHBondContact OD2-CE2 3.42Å; D159-Y164 VanDerWaalsContact OD2-CZ 3.29Å; D159-Y164 PolarHBondContact OD2-OH 3.49Å; N162-Y164 HydrophobicContact CB-CD2 4.45Å; N162-Y164 HydrophobicContact CB-CE1 4.21Å; N162-Y164 HydrophobicContact CB-CE2 3.68Å; N162-Y164 WeakPolarHBondContact CB-OH 3.16Å; N162-Y164 PolarHBondContact ND2-OH 2.92Å; Y164-L420 HydrophobicContact CE1-CD2 4.4Å; Y164-Y440 WeakPolarHBondContact O-CE1 3.41Å
165	L	91.4	Very high	91.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123	169.7	-59	166.7	0	0	0	108.5	M118 K119 M153 M167 Y440	M118-L165 CarbonylContact C-O 3.57Å; M118-L165 VanDerWaalsContact CA-O 3.31Å; M118-L165 WeakPolarHBondContact CA-O 3.41Å; K119-L165 HydrophobicContact CB-CB 4.25Å; K119-L165 HydrophobicContact CD-CD1 4.27Å; K119-L165 PolarHBondContact N-O 2.9Å; K119-L165 PolarHBondContact O-N 2.77Å; M153-L165 HydrophobicContact SD-CD2 3.66Å; L165-M167 HydrophobicContact CB-CG 4.46Å; L165-Y440 HydrophobicContact CD2-CE2 4.38Å; L165-Y440 WeakPolarHBondContact CD2-OH 3.14Å; L165-Y440 WeakPolarHBondContact CG-OH 3.05Å
166	I	92.9	Very high	91.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.4	175.1	-51.3	-61.2	0	0	0	108.5	F90 Y116 M118 M153 F154 Y155 F157	F90-I166 HydrophobicContact CD1-CD1 4.47Å; F90-I166 HydrophobicContact CE1-CD1 4.14Å; F90-I166 HydrophobicContact CE1-CG1 4.28Å; F90-I166 HydrophobicContact CE1-CG2 4.1Å; F90-I166 HydrophobicContact CE2-CD1 4.3Å; F90-I166 HydrophobicContact CE2-CG1 4.36Å; F90-I166 HydrophobicContact CZ-CD1 4.06Å; F90-I166 HydrophobicContact CZ-CG1 3.9Å; F90-I166 HydrophobicContact CZ-CG2 4.38Å; Y116-I166 HydrophobicContact CD1-CG2 3.66Å; Y116-I166 HydrophobicContact CD2-CG2 4.2Å; Y116-I166 HydrophobicContact CE1-CG2 4.42Å; Y116-I166 HydrophobicContact CG-CG2 3.53Å; M118-I166 HydrophobicContact CB-CD1 3.81Å; M118-I166 HydrophobicContact CG-CD1 3.6Å; M118-I166 HydrophobicContact SD-CD1 3.82Å; M153-I166 CarbonylContact C-O 3.57Å; F154-I166 PolarHBondContact N-O 3.1Å; Y155-I166 HydrophobicContact CD2-CB 3.76Å; Y155-I166 HydrophobicContact CD2-CG1 4.09Å; Y155-I166 HydrophobicContact CD2-CG2 3.71Å; Y155-I166 HydrophobicContact CE2-CG2 4.31Å; Y155-I166 HydrophobicContact CG-CB 4.35Å; Y155-I166 PolarHBondContact N-O 2.76Å; Y155-I166 PolarHBondContact O-N 3.39Å; F157-I166 HydrophobicContact CD1-CG1 4.42Å; F157-I166 HydrophobicContact CE1-CD1 3.89Å; F157-I166 HydrophobicContact CE1-CG1 3.73Å; F157-I166 HydrophobicContact CZ-CD1 4.37Å
167	M	92.8	Very high	91.5	Very high	21 Å²	21	25.2 Å²	25.2	10%	0.103	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	162.2	-171.9	-59.9	176.7	-62.4	0	0	110.6	Y116 A117 K119 L142 V151 K152 M153 L165	Y116-M167 WeakPolarHBondContact CA-O 3.42Å; Y116-M167 WeakPolarHBondContact CB-O 3.27Å; A117-M167 PolarHBondContact N-O 3.21Å; A117-M167 PolarHBondContact O-N 3.19Å; K119-M167 HydrophobicContact CB-CE 3.74Å; K119-M167 HydrophobicContact CD-CE 4.42Å; L142-M167 HydrophobicContact CD1-SD 4.43Å; V151-M167 HydrophobicContact CG1-CB 3.79Å; V151-M167 HydrophobicContact CG1-CG 4.23Å; V151-M167 HydrophobicContact CG1-SD 4.07Å; K152-M167 CarbonylContact O-C 3.48Å; K152-M167 VanDerWaalsContact O-CA 3.31Å; K152-M167 WeakPolarHBondContact O-CA 3.26Å; M153-M167 HydrophobicContact CB-CG 4.36Å; M153-M167 HydrophobicContact CG-CG 4.48Å; L165-M167 HydrophobicContact CB-CG 4.46Å
168	E	92.7	Very high	91.7	Very high	38 Å²	38	25.8 Å²	25.8	18%	0.178	12%	0.121	C	C	.	.			trans	-58.1	140	167.2	65.9	-175.4	139.8	0	0	110.6	V151 K152 F154 L170 K228	V151-E168 HydrophobicContact CG1-CG 4.1Å; K152-E168 HydrophobicContact CB-CG 4.13Å; K152-E168 VanDerWaalsContact CB-OE1 3.23Å; K152-E168 WeakPolarHBondContact CB-OE1 3.3Å; K152-E168 PolarHBondContact N-OE1 3.08Å; K152-E168 PolarHBondContact O-N 2.83Å; F154-E168 HydrophobicContact CE2-CB 3.87Å; E168-L170 HydrophobicContact CG-CD2 3.89Å; E168-L170 HydrophobicContact CG-CG 4.27Å; E168-K228 VanDerWaalsContact CD-NZ 3.3Å; E168-K228 IonicContact OE1-NZ 3.14Å; E168-K228 PolarHBondContact OE1-NZ 3.19Å; E168-K228 IonicContact OE2-NZ 3.78Å; E168-K228 PolarHBondContact OE2-NZ 3.33Å; E168-K228 VanDerWaalsContact OE2-NZ 3.14Å
169	F	94.8	Very high	91.9	Very high	21 Å²	21	23.9 Å²	23.9	9%	0.092	11%	0.113	C	C	.	.			trans	-83.9	126.4	171.3	173.9	-123.3	0	0	0	109.4	I96 L106 I115 P171 I405 D407 T408 F411	I96-F169 HydrophobicContact CD1-CD2 3.95Å; I96-F169 HydrophobicContact CD1-CE2 3.85Å; L106-F169 HydrophobicContact CD1-CB 4.03Å; L106-F169 HydrophobicContact CD1-CD1 3.57Å; L106-F169 HydrophobicContact CD1-CD2 3.48Å; L106-F169 VanDerWaalsContact CD1-CD2 3.48Å; L106-F169 HydrophobicContact CD1-CE1 3.8Å; L106-F169 HydrophobicContact CD1-CE2 3.73Å; L106-F169 HydrophobicContact CD1-CG 3.4Å; L106-F169 HydrophobicContact CD1-CZ 3.88Å; I115-F169 HydrophobicContact CG2-CB 4.11Å; I115-F169 HydrophobicContact CG2-CD1 3.95Å; I115-F169 HydrophobicContact CG2-CG 4.26Å; F169-P171 HydrophobicContact CD1-CB 4.33Å; F169-P171 HydrophobicContact CE1-CB 3.69Å; F169-P171 HydrophobicContact CZ-CB 4.04Å; F169-P171 WeakPolarHBondContact O-CD 3.47Å; F169-I405 WeakPolarHBondContact CD1-O 3.16Å; F169-D407 WeakPolarHBondContact CZ-O 3.39Å; F169-T408 HydrophobicContact CZ-CG2 4.2Å; F169-F411 HydrophobicContact CD2-CZ 4.47Å; F169-F411 HydrophobicContact CE2-CD2 4.41Å; F169-F411 AromaticContact CE2-CE2 3.48Å; F169-F411 HydrophobicContact CE2-CE2 3.48Å; F169-F411 VanDerWaalsContact CE2-CE2 3.48Å; F169-F411 AromaticContact CE2-CZ 3.58Å; F169-F411 HydrophobicContact CE2-CZ 3.58Å; F169-F411 HydrophobicContact CZ-CD2 4.45Å; F169-F411 AromaticContact CZ-CE2 3.66Å; F169-F411 HydrophobicContact CZ-CE2 3.66Å; F169-F411 HydrophobicContact CZ-CZ 4.23Å
170	L	95.5	Very high	91.9	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.052	11%	0.106	C	C	.	.			trans	-107.7	99.2	178.7	-63.3	-174.1	0	0	0	109.5	V151 E168 G172 G173 L220 L221 D222 K228 F411	V151-L170 HydrophobicContact CG2-CD1 3.79Å; E168-L170 HydrophobicContact CG-CD2 3.89Å; E168-L170 HydrophobicContact CG-CG 4.27Å; L170-G172 PolarHBondContact O-N 3.14Å; L170-G173 PolarHBondContact O-N 2.56Å; L170-L220 HydrophobicContact CB-CB 4.45Å; L170-L220 HydrophobicContact CD1-CB 3.54Å; L170-L220 HydrophobicContact CD1-CD1 3.99Å; L170-L220 HydrophobicContact CD1-CG 4.42Å; L170-L221 WeakPolarHBondContact CB-O 3.31Å; L170-D222 HydrophobicContact CD2-CB 3.95Å; L170-K228 HydrophobicContact CD1-CB 3.9Å; L170-K228 HydrophobicContact CD1-CD 4.04Å; L170-K228 HydrophobicContact CD1-CG 4.27Å; L170-K228 HydrophobicContact CD2-CD 4.28Å; L170-F411 VanDerWaalsContact O-CZ 3.27Å; L170-F411 WeakPolarHBondContact O-CZ 3.16Å
171	P	95.2	Very high	92.2	Very high	10 Å²	10	21.4 Å²	21.4	7%	0.065	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.7	-168	33.2	-39.1	0	0	0	114.1	F169 G173 I402 N410	F169-P171 HydrophobicContact CD1-CB 4.33Å; F169-P171 HydrophobicContact CE1-CB 3.69Å; F169-P171 HydrophobicContact CZ-CB 4.04Å; F169-P171 WeakPolarHBondContact O-CD 3.47Å; P171-G173 PolarHBondContact O-N 2.96Å; P171-I402 HydrophobicContact CB-CD1 4.33Å; P171-I402 HydrophobicContact CB-CG2 3.99Å; P171-I402 HydrophobicContact CG-CD1 3.81Å; P171-I402 HydrophobicContact CG-CG2 4.46Å; P171-N410 WeakPolarHBondContact O-CB 3.43Å; P171-N410 PolarHBondContact O-ND2 2.93Å
172	G	95.1	Very high	92.5	Very high	7 Å²	7	22.1 Å²	22.1	7%	0.072	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9	174.2	0	0	0	0	0	113.9	L170 L221	L170-G172 PolarHBondContact O-N 3.14Å; G172-L221 WeakPolarHBondContact CA-O 3.48Å; G172-L221 PolarHBondContact N-O 3.46Å
173	G	94.2	Very high	92.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	13%	0.125	C	C	.	.			trans	73.6	-155	-176.7	0	0	0	0	0	111.8	L170 P171 L220 L221	L170-G173 PolarHBondContact O-N 2.56Å; P171-G173 PolarHBondContact O-N 2.96Å; G173-L220 CarbonylContact O-C 3.49Å; G173-L220 WeakPolarHBondContact O-CA 3.17Å; G173-L221 PolarHBondContact O-N 3.17Å
174	D	93.4	Very high	92.9	Very high	25 Å²	25	28.7 Å²	28.7	13%	0.134	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-110.7	157.8	-179.6	64.4	86.3	0	0	0	112.5	M176 T177 L178 L219 L220	D174-M176 PolarHBondContact O-N 3.26Å; D174-M176 WeakPolarHBondContact OD1-CA 3.43Å; D174-M176 WeakPolarHBondContact OD1-CB 3.44Å; D174-M176 PolarHBondContact OD1-N 3.42Å; D174-M176 VanDerWaalsContact OD1-N 3.08Å; D174-T177 PolarHBondContact O-N 3Å; D174-T177 PolarHBondContact OD1-N 3.5Å; D174-T177 PolarHBondContact OD1-OG1 3.2Å; D174-T177 PolarHBondContact OD2-OG1 2.68Å; D174-L178 PolarHBondContact O-N 3.13Å; D174-L178 VanDerWaalsContact O-N 3.1Å; D174-L219 CarbonylContact C-O 3.53Å; D174-L219 WeakPolarHBondContact CA-O 3.35Å; D174-L220 HydrophobicContact CB-CD2 3.63Å
175	M	95.4	Very high	93.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-29.3	-179.4	-176.3	61.6	68.1	0	0	112.1	L178 L179 L185 Y193 P216 L219 L221 M316	M175-L178 HydrophobicContact CE-CD2 4.21Å; M175-L178 PolarHBondContact O-N 2.78Å; M175-L178 HydrophobicContact SD-CB 4.37Å; M175-L178 HydrophobicContact SD-CD2 3.72Å; M175-L178 HydrophobicContact SD-CG 4.37Å; M175-L179 HydrophobicContact CG-CD1 4.21Å; M175-L179 HydrophobicContact CG-CG 4.39Å; M175-L179 WeakPolarHBondContact O-CB 3.14Å; M175-L179 VanDerWaalsContact O-CG 3.29Å; M175-L179 WeakPolarHBondContact O-CG 3.21Å; M175-L179 PolarHBondContact O-N 3.21Å; M175-L179 HydrophobicContact SD-CG 4.42Å; M175-L185 HydrophobicContact SD-CD1 4.32Å; M175-Y193 HydrophobicContact CE-CD1 3.53Å; M175-Y193 HydrophobicContact CE-CD2 3.82Å; M175-Y193 HydrophobicContact CE-CE1 3.9Å; M175-Y193 HydrophobicContact CE-CE2 4.16Å; M175-Y193 HydrophobicContact CE-CG 3.49Å; M175-Y193 VanDerWaalsContact CE-CG 3.49Å; M175-P216 HydrophobicContact CB-CB 4.08Å; M175-P216 VanDerWaalsContact CB-O 3.29Å; M175-P216 WeakPolarHBondContact CB-O 3.35Å; M175-P216 HydrophobicContact CG-CB 4.12Å; M175-P216 PolarHBondContact N-O 2.82Å; M175-L219 HydrophobicContact CB-CB 3.84Å; M175-L219 PolarHBondContact N-O 2.68Å; M175-L221 HydrophobicContact CE-CD2 4.15Å; M175-M316 HydrophobicContact CE-CE 3.85Å; M175-M316 HydrophobicContact CG-CE 3.77Å; M175-M316 HydrophobicContact SD-CE 3.66Å
176	M	90.8	Very high	93.5	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.039	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-47.4	173.6	161.8	172.9	160.4	0	0	110.7	D174 L178 L179 M180 P216 D217 R276 R277 A280	D174-M176 PolarHBondContact O-N 3.26Å; D174-M176 WeakPolarHBondContact OD1-CA 3.43Å; D174-M176 WeakPolarHBondContact OD1-CB 3.44Å; D174-M176 PolarHBondContact OD1-N 3.42Å; D174-M176 VanDerWaalsContact OD1-N 3.08Å; M176-L178 VanDerWaalsContact C-N 3.32Å; M176-L178 PolarHBondContact O-N 2.79Å; M176-L179 PolarHBondContact O-N 2.86Å; M176-M180 HydrophobicContact CE-SD 4.26Å; M176-M180 WeakPolarHBondContact O-CG 3.28Å; M176-M180 PolarHBondContact O-N 3.03Å; M176-P216 HydrophobicContact CB-CB 3.91Å; M176-P216 PolarHBondContact N-O 3.28Å; M176-D217 HydrophobicContact CB-CB 4.22Å; M176-D217 HydrophobicContact SD-CB 4.22Å; M176-R276 HydrophobicContact CE-CB 4.16Å; M176-R276 HydrophobicContact CE-CG 3.48Å; M176-R276 VanDerWaalsContact CE-CG 3.48Å; M176-R276 HydrophobicContact CG-CG 4.28Å; M176-R276 HydrophobicContact SD-CG 3.82Å; M176-R277 HydrophobicContact CE-CG 4.37Å; M176-A280 HydrophobicContact CE-CB 3.89Å; M176-A280 HydrophobicContact SD-CB 4.06Å
177	T	91.1	Very high	93.8	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.055	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-39.1	177.5	-61.6	0	0	0	0	111.5	D174 M180 K181 N410	D174-T177 PolarHBondContact O-N 3Å; D174-T177 PolarHBondContact OD1-N 3.5Å; D174-T177 PolarHBondContact OD1-OG1 3.2Å; D174-T177 PolarHBondContact OD2-OG1 2.68Å; T177-M180 PolarHBondContact O-N 2.92Å; T177-K181 WeakPolarHBondContact O-CG 3.34Å; T177-K181 PolarHBondContact O-N 3.27Å; T177-K181 VanDerWaalsContact O-N 3.1Å; T177-N410 WeakPolarHBondContact CG2-O 3.42Å
178	L	93.6	Very high	94	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-46.8	173.1	177.9	59.4	0	0	0	111.9	D174 M175 M176 M180 K181 K182 Y193 L221 I398	D174-L178 PolarHBondContact O-N 3.13Å; D174-L178 VanDerWaalsContact O-N 3.1Å; M175-L178 HydrophobicContact CE-CD2 4.21Å; M175-L178 PolarHBondContact O-N 2.78Å; M175-L178 HydrophobicContact SD-CB 4.37Å; M175-L178 HydrophobicContact SD-CD2 3.72Å; M175-L178 HydrophobicContact SD-CG 4.37Å; M176-L178 VanDerWaalsContact C-N 3.32Å; M176-L178 PolarHBondContact O-N 2.79Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 PolarHBondContact O-N 2.94Å; L178-K181 PolarHBondContact O-N 3.14Å; L178-K181 VanDerWaalsContact O-N 3.12Å; L178-K182 HydrophobicContact CD1-CG 3.87Å; L178-K182 WeakPolarHBondContact O-CB 3.35Å; L178-K182 PolarHBondContact O-N 2.75Å; L178-Y193 HydrophobicContact CD2-CE2 4.24Å; L178-L221 HydrophobicContact CD2-CD1 3.73Å; L178-I398 HydrophobicContact CD1-CD1 4.21Å; L178-I398 HydrophobicContact CD2-CD1 4.1Å
179	L	92.8	Very high	94.2	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-35.5	177.4	-71.9	173	0	0	0	112.6	M175 M176 K181 K182 D183 L185 P216 E315 M316	M175-L179 HydrophobicContact CG-CD1 4.21Å; M175-L179 HydrophobicContact CG-CG 4.39Å; M175-L179 WeakPolarHBondContact O-CB 3.14Å; M175-L179 VanDerWaalsContact O-CG 3.29Å; M175-L179 WeakPolarHBondContact O-CG 3.21Å; M175-L179 PolarHBondContact O-N 3.21Å; M175-L179 HydrophobicContact SD-CG 4.42Å; M176-L179 PolarHBondContact O-N 2.86Å; L179-K181 VanDerWaalsContact C-N 3.29Å; L179-K181 PolarHBondContact O-N 2.79Å; L179-K182 PolarHBondContact O-N 3.06Å; L179-D183 WeakPolarHBondContact O-CA 3.11Å; L179-D183 PolarHBondContact O-N 3.49Å; L179-L185 HydrophobicContact CD2-CD1 4.08Å; L179-L185 HydrophobicContact CD2-CD2 4.34Å; L179-L185 HydrophobicContact CD2-CG 3.8Å; L179-P216 HydrophobicContact CD1-CB 4.15Å; L179-P216 HydrophobicContact CD1-CG 4.18Å; L179-E315 HydrophobicContact CD1-CG 4.23Å; L179-M316 HydrophobicContact CD1-CG 4.38Å; L179-M316 HydrophobicContact CD2-CB 4.45Å; L179-M316 HydrophobicContact CD2-CG 4.09Å
180	M	89	Confident	94.4	Very high	34 Å²	34	39.3 Å²	39.3	17%	0.167	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-35.4	172.1	-72.5	-160	-54.9	0	0	112.4	M176 T177 L178 R277	M176-M180 HydrophobicContact CE-SD 4.26Å; M176-M180 WeakPolarHBondContact O-CG 3.28Å; M176-M180 PolarHBondContact O-N 3.03Å; T177-M180 PolarHBondContact O-N 2.92Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 PolarHBondContact O-N 2.94Å; M180-R277 HydrophobicContact CE-CG 4.3Å; M180-R277 VanDerWaalsContact CE-NH2 3.33Å; M180-R277 HydrophobicContact SD-CG 3.83Å
181	K	90.1	Very high	94.5	Very high	119 Å²	119	40.6 Å²	40.6	52%	0.517	21%	0.209	S	C	.	.	H	α-helix	trans	-78.7	-34	179.2	-72.4	177.3	179.1	-178.5	0	113	T177 L178 L179 S409 N410	T177-K181 WeakPolarHBondContact O-CG 3.34Å; T177-K181 PolarHBondContact O-N 3.27Å; T177-K181 VanDerWaalsContact O-N 3.1Å; L178-K181 PolarHBondContact O-N 3.14Å; L178-K181 VanDerWaalsContact O-N 3.12Å; L179-K181 VanDerWaalsContact C-N 3.29Å; L179-K181 PolarHBondContact O-N 2.79Å; K181-S409 PolarHBondContact NZ-O 3Å; K181-N410 PolarHBondContact NZ-OD1 2.8Å
182	K	91.9	Very high	94.7	Very high	118 Å²	118	41.2 Å²	41.2	51%	0.513	21%	0.21	S	C	.	.	H	α-helix	trans	-99.8	-12.9	-172.7	-69.9	-71.8	-175.4	175.5	0	114.6	L178 L179 T184 L185	L178-K182 HydrophobicContact CD1-CG 3.87Å; L178-K182 WeakPolarHBondContact O-CB 3.35Å; L178-K182 PolarHBondContact O-N 2.75Å; L179-K182 PolarHBondContact O-N 3.06Å; K182-T184 PolarHBondContact O-N 2.8Å; K182-L185 HydrophobicContact CB-CD2 4.06Å; K182-L185 HydrophobicContact CG-CD2 4.34Å
183	D	91	Very high	94.8	Very high	86 Å²	86	40.9 Å²	40.9	46%	0.46	21%	0.207	S	C	.	.	S	Bend	trans	66.7	-55.8	-171.9	-59.7	-32.4	0	0	0	114.5	L179 K273	L179-D183 WeakPolarHBondContact O-CA 3.11Å; L179-D183 PolarHBondContact O-N 3.49Å; D183-K273 VanDerWaalsContact CA-NZ 3.33Å; D183-K273 WeakPolarHBondContact OD1-CE 3.47Å; D183-K273 IonicContact OD1-NZ 2.64Å; D183-K273 PolarHBondContact OD1-NZ 3.44Å; D183-K273 IonicContact OD2-NZ 3.35Å
184	T	96.1	Very high	95	Very high	65 Å²	65	40.8 Å²	40.8	40%	0.399	21%	0.206	S	C	.	.	S	Bend	trans	-141.9	164.3	173.8	58.2	0	0	0	0	109.6	K182 M316	K182-T184 PolarHBondContact O-N 2.8Å; T184-M316 CarbonylContact C-O 3.53Å; T184-M316 WeakPolarHBondContact CA-O 3.17Å; T184-M316 WeakPolarHBondContact CB-O 3.35Å
185	L	97.8	Very high	95.3	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.063	20%	0.2	C	C	.	.			trans	-110.1	147.1	173.4	-56.9	-175	0	0	0	109.7	M175 L179 K182 A189 Y193 M316 I398	M175-L185 HydrophobicContact SD-CD1 4.32Å; L179-L185 HydrophobicContact CD2-CD1 4.08Å; L179-L185 HydrophobicContact CD2-CD2 4.34Å; L179-L185 HydrophobicContact CD2-CG 3.8Å; K182-L185 HydrophobicContact CB-CD2 4.06Å; K182-L185 HydrophobicContact CG-CD2 4.34Å; L185-A189 HydrophobicContact CB-CB 4.28Å; L185-Y193 HydrophobicContact CD1-CD2 3.83Å; L185-Y193 HydrophobicContact CD1-CE2 4.17Å; L185-M316 HydrophobicContact CB-CB 4.4Å; L185-M316 HydrophobicContact CD1-CB 4.23Å; L185-M316 HydrophobicContact CD1-CE 4.38Å; L185-M316 HydrophobicContact CD1-CG 3.93Å; L185-M316 HydrophobicContact CD1-SD 4.15Å; L185-M316 HydrophobicContact CG-CB 4.42Å; L185-M316 PolarHBondContact N-O 3.21Å; L185-I398 HydrophobicContact CD2-CD1 3.95Å
186	S	97.9	Very high	95.4	Very high	75 Å²	75	39.6 Å²	39.6	52%	0.524	20%	0.2	S	C	.	.			trans	-62.2	154.8	167.7	59.4	0	0	0	0	110.8	E188 A189 T190	S186-E188 PolarHBondContact O-N 2.85Å; S186-A189 PolarHBondContact O-N 3.49Å; S186-A189 VanDerWaalsContact O-N 3.14Å; S186-A189 WeakPolarHBondContact OG-CB 3.31Å; S186-A189 PolarHBondContact OG-N 3.23Å; S186-T190 PolarHBondContact O-N 3.22Å; S186-T190 PolarHBondContact O-OG1 3.05Å
187	E	97.8	Very high	95.8	Very high	61 Å²	61	39.2 Å²	39.2	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-55.8	-34.7	175.4	-72.2	-169.6	-157.7	0	0	113.8	T190 Q191 L317 S351 F382	E187-T190 PolarHBondContact O-N 3.2Å; E187-Q191 WeakPolarHBondContact O-CB 3.11Å; E187-Q191 PolarHBondContact O-N 3.18Å; E187-L317 HydrophobicContact CB-CD2 4.47Å; E187-L317 HydrophobicContact CG-CD2 3.73Å; E187-S351 VanDerWaalsContact CD-OG 3.25Å; E187-S351 WeakPolarHBondContact OE1-CB 3.38Å; E187-S351 PolarHBondContact OE1-N 3.43Å; E187-S351 PolarHBondContact OE1-OG 2.82Å; E187-S351 WeakPolarHBondContact OE2-CB 3.38Å; E187-S351 PolarHBondContact OE2-OG 3.35Å; E187-F382 HydrophobicContact CB-CE2 4.4Å
188	E	97.1	Very high	96.1	Very high	152 Å²	152	38.8 Å²	38.8	71%	0.71	20%	0.195	S	C	*	.	H	α-helix	trans	-63.2	-50.8	175.7	-175.7	179.7	179.3	0	0	111.9	S186 T190 Q191 F192	S186-E188 PolarHBondContact O-N 2.85Å; E188-T190 PolarHBondContact O-N 3.49Å; E188-Q191 WeakPolarHBondContact O-CB 3.32Å; E188-Q191 PolarHBondContact O-N 3.4Å; E188-F192 PolarHBondContact O-N 3.11Å
189	A	97.9	Very high	96.2	Very high	6 Å²	6	39 Å²	39	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-41.7	174.9	0	0	0	0	0	112.5	L185 S186 F192 Y193 A397	L185-A189 HydrophobicContact CB-CB 4.28Å; S186-A189 PolarHBondContact O-N 3.49Å; S186-A189 VanDerWaalsContact O-N 3.14Å; S186-A189 WeakPolarHBondContact OG-CB 3.31Å; S186-A189 PolarHBondContact OG-N 3.23Å; A189-F192 PolarHBondContact O-N 2.94Å; A189-Y193 HydrophobicContact CB-CE2 4.48Å; A189-Y193 WeakPolarHBondContact O-CD2 3.3Å; A189-Y193 PolarHBondContact O-N 3.48Å; A189-A397 HydrophobicContact CB-CB 4.04Å
190	T	98.4	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-44.4	174.7	-61.8	0	0	0	0	111	S186 E187 E188 F192 Y193 I194 M313 M316 L317 F382	S186-T190 PolarHBondContact O-N 3.22Å; S186-T190 PolarHBondContact O-OG1 3.05Å; E187-T190 PolarHBondContact O-N 3.2Å; E188-T190 PolarHBondContact O-N 3.49Å; T190-F192 VanDerWaalsContact C-N 3.31Å; T190-F192 PolarHBondContact O-N 3.48Å; T190-Y193 PolarHBondContact O-N 2.99Å; T190-I194 HydrophobicContact CG2-CG1 3.81Å; T190-I194 VanDerWaalsContact O-CB 3.28Å; T190-I194 WeakPolarHBondContact O-CB 3.4Å; T190-I194 WeakPolarHBondContact O-CG1 3.39Å; T190-I194 PolarHBondContact O-N 3.43Å; T190-M313 HydrophobicContact CG2-CG 3.91Å; T190-M316 HydrophobicContact CG2-CB 4.08Å; T190-M316 HydrophobicContact CG2-SD 3.99Å; T190-L317 HydrophobicContact CG2-CD1 4.25Å; T190-L317 HydrophobicContact CG2-CD2 4.05Å; T190-L317 HydrophobicContact CG2-CG 3.99Å; T190-L317 WeakPolarHBondContact OG1-CD2 3.11Å; T190-F382 HydrophobicContact CG2-CZ 4.33Å
191	Q	98.5	Very high	96.7	Very high	36 Å²	36	36.9 Å²	36.9	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-57	-45.9	177.1	-179.8	-166.5	78.5	0	0	111.4	E187 E188 A195 F382 F383 V386	E187-Q191 WeakPolarHBondContact O-CB 3.11Å; E187-Q191 PolarHBondContact O-N 3.18Å; E188-Q191 WeakPolarHBondContact O-CB 3.32Å; E188-Q191 PolarHBondContact O-N 3.4Å; Q191-A195 WeakPolarHBondContact O-CB 3.46Å; Q191-A195 PolarHBondContact O-N 3.03Å; Q191-F382 HydrophobicContact CB-CE1 3.76Å; Q191-F382 HydrophobicContact CB-CZ 3.82Å; Q191-F382 HydrophobicContact CG-CD1 4.45Å; Q191-F382 HydrophobicContact CG-CE1 4.14Å; Q191-F382 PolarHBondContact NE2-O 3.28Å; Q191-F383 HydrophobicContact CG-CD1 3.97Å; Q191-V386 HydrophobicContact CG-CG2 3.63Å
192	F	98.4	Very high	96.9	Very high	23 Å²	23	32.2 Å²	32.2	10%	0.101	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-55	176.1	177.2	-92.5	0	0	0	112.1	E188 A189 T190 I194 A195 E196 H226 I391 A396 A397	E188-F192 PolarHBondContact O-N 3.11Å; A189-F192 PolarHBondContact O-N 2.94Å; T190-F192 VanDerWaalsContact C-N 3.31Å; T190-F192 PolarHBondContact O-N 3.48Å; F192-I194 PolarHBondContact O-N 3.02Å; F192-A195 PolarHBondContact O-N 3.37Å; F192-E196 HydrophobicContact CE1-CG 4.21Å; F192-E196 HydrophobicContact CE2-CG 4.42Å; F192-E196 VanDerWaalsContact CZ-CD 3.47Å; F192-E196 HydrophobicContact CZ-CG 4.07Å; F192-E196 WeakPolarHBondContact CZ-OE1 3.05Å; F192-E196 PolarHBondContact O-N 3.04Å; F192-H226 AromaticContact CZ-CE1 3.86Å; F192-H226 AromaticContact CZ-ND1 3.58Å; F192-I391 HydrophobicContact CD2-CD1 4.06Å; F192-I391 HydrophobicContact CD2-CG1 3.96Å; F192-I391 HydrophobicContact CE2-CD1 4.22Å; F192-I391 HydrophobicContact CE2-CG1 3.7Å; F192-A396 HydrophobicContact CE1-CB 3.78Å; F192-A396 VanDerWaalsContact CZ-CA 3.46Å; F192-A396 HydrophobicContact CZ-CB 3.7Å; F192-A397 HydrophobicContact CB-CB 3.72Å; F192-A397 HydrophobicContact CD1-CB 3.78Å; F192-A397 HydrophobicContact CG-CB 3.75Å
193	Y	98.5	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.1	-37.4	-175.6	-70	-55.8	0	0	0	113.4	M175 L178 L185 A189 T190 T197 L221 V227 I398	M175-Y193 HydrophobicContact CE-CD1 3.53Å; M175-Y193 HydrophobicContact CE-CD2 3.82Å; M175-Y193 HydrophobicContact CE-CE1 3.9Å; M175-Y193 HydrophobicContact CE-CE2 4.16Å; M175-Y193 HydrophobicContact CE-CG 3.49Å; M175-Y193 VanDerWaalsContact CE-CG 3.49Å; L178-Y193 HydrophobicContact CD2-CE2 4.24Å; L185-Y193 HydrophobicContact CD1-CD2 3.83Å; L185-Y193 HydrophobicContact CD1-CE2 4.17Å; A189-Y193 HydrophobicContact CB-CE2 4.48Å; A189-Y193 WeakPolarHBondContact O-CD2 3.3Å; A189-Y193 PolarHBondContact O-N 3.48Å; T190-Y193 PolarHBondContact O-N 2.99Å; Y193-T197 VanDerWaalsContact O-CB 3.32Å; Y193-T197 WeakPolarHBondContact O-CB 3.18Å; Y193-T197 PolarHBondContact O-N 3.49Å; Y193-T197 PolarHBondContact O-OG1 3.27Å; Y193-L221 HydrophobicContact CD1-CD2 4.42Å; Y193-L221 HydrophobicContact CE1-CD2 3.85Å; Y193-V227 HydrophobicContact CD1-CG2 3.7Å; Y193-V227 HydrophobicContact CE1-CG2 4.4Å; Y193-I398 HydrophobicContact CE2-CD1 3.98Å; Y193-I398 HydrophobicContact CE2-CG1 4.17Å; Y193-I398 VanDerWaalsContact OH-CB 3.3Å; Y193-I398 WeakPolarHBondContact OH-CB 3.15Å
194	I	98.5	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.5	-42.5	175.2	-63.2	-61.7	0	0	0	109.9	T190 F192 E196 T197 V198 L309 I312 M313 M316 Y361 F383	T190-I194 HydrophobicContact CG2-CG1 3.81Å; T190-I194 VanDerWaalsContact O-CB 3.28Å; T190-I194 WeakPolarHBondContact O-CB 3.4Å; T190-I194 WeakPolarHBondContact O-CG1 3.39Å; T190-I194 PolarHBondContact O-N 3.43Å; F192-I194 PolarHBondContact O-N 3.02Å; I194-E196 PolarHBondContact O-N 2.99Å; I194-T197 PolarHBondContact O-N 3.39Å; I194-V198 HydrophobicContact CG2-CG2 4.48Å; I194-V198 WeakPolarHBondContact O-CG2 3.32Å; I194-V198 PolarHBondContact O-N 3.44Å; I194-L309 HydrophobicContact CD1-CD1 3.6Å; I194-L309 HydrophobicContact CD1-CG 4.29Å; I194-L309 HydrophobicContact CG2-CD1 4.3Å; I194-L309 HydrophobicContact CG2-CD2 4.21Å; I194-L309 HydrophobicContact CG2-CG 4.23Å; I194-I312 HydrophobicContact CD1-CG2 4.28Å; I194-M313 HydrophobicContact CD1-CB 3.72Å; I194-M313 HydrophobicContact CD1-CG 4.33Å; I194-M313 HydrophobicContact CG1-CB 4.02Å; I194-M313 HydrophobicContact CG1-CG 4.06Å; I194-M316 HydrophobicContact CD1-CE 4.44Å; I194-M316 HydrophobicContact CD1-SD 3.84Å; I194-M316 HydrophobicContact CG1-SD 4.08Å; I194-Y361 HydrophobicContact CG2-CE2 4.47Å; I194-F383 HydrophobicContact CB-CE1 4.32Å; I194-F383 HydrophobicContact CB-CZ 4.47Å; I194-F383 HydrophobicContact CG2-CE1 4Å; I194-F383 HydrophobicContact CG2-CZ 3.67Å
195	A	98.3	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-46.1	176.5	0	0	0	0	0	112.3	Q191 F192 T197 V198 L199 F383 V386 W388 I391	Q191-A195 WeakPolarHBondContact O-CB 3.46Å; Q191-A195 PolarHBondContact O-N 3.03Å; F192-A195 PolarHBondContact O-N 3.37Å; A195-T197 VanDerWaalsContact C-N 3.3Å; A195-T197 PolarHBondContact O-N 3.35Å; A195-V198 WeakPolarHBondContact O-CB 3.46Å; A195-V198 PolarHBondContact O-N 3.38Å; A195-L199 PolarHBondContact O-N 3.39Å; A195-F383 HydrophobicContact CB-CD1 4.1Å; A195-F383 HydrophobicContact CB-CE1 4.05Å; A195-V386 HydrophobicContact CB-CG1 3.89Å; A195-V386 HydrophobicContact CB-CG2 4.34Å; A195-W388 HydrophobicContact CB-CE3 4.49Å; A195-W388 HydrophobicContact CB-CH2 3.69Å; A195-W388 HydrophobicContact CB-CZ2 4.27Å; A195-W388 HydrophobicContact CB-CZ3 3.82Å; A195-W388 VanDerWaalsContact O-CZ3 3.26Å; A195-W388 WeakPolarHBondContact O-CZ3 3.44Å; A195-I391 HydrophobicContact CB-CD1 3.7Å
196	E	98.1	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-40.2	174.6	-73.7	-151.2	142.6	0	0	112.4	W149 F192 I194 V198 L199 A200 H226 V227 I391	W149-E196 HydrophobicContact CH2-CG 4.44Å; W149-E196 HydrophobicContact CZ3-CB 3.92Å; W149-E196 HydrophobicContact CZ3-CG 4.17Å; W149-E196 WeakPolarHBondContact CZ3-O 3.23Å; F192-E196 HydrophobicContact CE1-CG 4.21Å; F192-E196 HydrophobicContact CE2-CG 4.42Å; F192-E196 VanDerWaalsContact CZ-CD 3.47Å; F192-E196 HydrophobicContact CZ-CG 4.07Å; F192-E196 WeakPolarHBondContact CZ-OE1 3.05Å; F192-E196 PolarHBondContact O-N 3.04Å; I194-E196 PolarHBondContact O-N 2.99Å; E196-V198 VanDerWaalsContact C-N 3.33Å; E196-V198 PolarHBondContact O-N 3.2Å; E196-L199 PolarHBondContact O-N 3.42Å; E196-A200 WeakPolarHBondContact O-CB 3.49Å; E196-A200 PolarHBondContact O-N 3.45Å; E196-H226 IonicContact OE1-CE1 3.39Å; E196-H226 IonicContact OE1-CG 3.62Å; E196-H226 IonicContact OE1-ND1 3.07Å; E196-H226 PolarHBondContact OE1-ND1 2.8Å; E196-H226 WeakPolarHBondContact OE2-CA 3.37Å; E196-H226 IonicContact OE2-ND1 2.75Å; E196-V227 HydrophobicContact CB-CB 4.11Å; E196-V227 HydrophobicContact CB-CG2 4.07Å; E196-V227 PolarHBondContact OE2-N 3.28Å; E196-I391 HydrophobicContact CG-CD1 3.72Å; E196-I391 HydrophobicContact CG-CG1 4.04Å; E196-I391 HydrophobicContact CG-CG2 4.46Å
197	T	98.1	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.8	-33.3	179	-52.8	0	0	0	0	111.6	Y193 I194 A195 A200 I201 L219 L309	Y193-T197 VanDerWaalsContact O-CB 3.32Å; Y193-T197 WeakPolarHBondContact O-CB 3.18Å; Y193-T197 PolarHBondContact O-N 3.49Å; Y193-T197 PolarHBondContact O-OG1 3.27Å; I194-T197 PolarHBondContact O-N 3.39Å; A195-T197 VanDerWaalsContact C-N 3.3Å; A195-T197 PolarHBondContact O-N 3.35Å; T197-A200 PolarHBondContact O-N 3.22Å; T197-I201 HydrophobicContact CG2-CD1 3.79Å; T197-I201 HydrophobicContact CG2-CG1 4.17Å; T197-I201 WeakPolarHBondContact O-CB 3.4Å; T197-I201 VanDerWaalsContact O-CG1 3.31Å; T197-I201 WeakPolarHBondContact O-CG1 3.48Å; T197-I201 PolarHBondContact O-N 3.31Å; T197-L219 HydrophobicContact CG2-CD1 4.21Å; T197-L219 HydrophobicContact CG2-CD2 3.93Å; T197-L309 HydrophobicContact CG2-CD1 3.57Å
198	V	97.9	Very high	95.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.6	-49.9	170.9	165.4	0	0	0	0	110.5	I194 A195 E196 A200 D202 L309 Y361 I374 M377 W388	I194-V198 HydrophobicContact CG2-CG2 4.48Å; I194-V198 WeakPolarHBondContact O-CG2 3.32Å; I194-V198 PolarHBondContact O-N 3.44Å; A195-V198 WeakPolarHBondContact O-CB 3.46Å; A195-V198 PolarHBondContact O-N 3.38Å; E196-V198 VanDerWaalsContact C-N 3.33Å; E196-V198 PolarHBondContact O-N 3.2Å; V198-A200 VanDerWaalsContact C-N 3.32Å; V198-A200 PolarHBondContact O-N 3.29Å; V198-D202 WeakPolarHBondContact O-CB 3.28Å; V198-D202 PolarHBondContact O-N 2.95Å; V198-L309 HydrophobicContact CG2-CD2 3.53Å; V198-Y361 WeakPolarHBondContact CG2-OH 3.34Å; V198-I374 HydrophobicContact CG1-CD1 3.67Å; V198-I374 HydrophobicContact CG1-CG1 3.88Å; V198-M377 HydrophobicContact CG1-SD 4.09Å; V198-M377 HydrophobicContact CG2-SD 4.04Å; V198-W388 HydrophobicContact CB-CH2 4.07Å; V198-W388 HydrophobicContact CB-CZ3 3.92Å; V198-W388 HydrophobicContact CG1-CH2 3.98Å; V198-W388 HydrophobicContact CG1-CZ3 3.8Å; V198-W388 HydrophobicContact CG2-CH2 4.44Å
199	L	96.9	Very high	94.6	Very high	22 Å²	22	20.7 Å²	20.7	12%	0.115	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-39.5	177.6	-66.3	177.1	0	0	0	112	W149 A195 E196 D202 S203 W388 I391	W149-L199 HydrophobicContact CD2-CB 4.31Å; W149-L199 HydrophobicContact CE3-CB 4.41Å; W149-L199 HydrophobicContact CH2-CB 3.83Å; W149-L199 HydrophobicContact CH2-CD1 3.63Å; W149-L199 HydrophobicContact CH2-CG 4.38Å; W149-L199 HydrophobicContact CZ2-CB 3.69Å; W149-L199 HydrophobicContact CZ2-CD1 3.6Å; W149-L199 HydrophobicContact CZ2-CG 4.29Å; W149-L199 HydrophobicContact CZ3-CB 4.18Å; A195-L199 PolarHBondContact O-N 3.39Å; E196-L199 PolarHBondContact O-N 3.42Å; L199-D202 PolarHBondContact O-N 3.46Å; L199-S203 WeakPolarHBondContact O-CB 3.5Å; L199-S203 PolarHBondContact O-N 3.02Å; L199-W388 HydrophobicContact CD1-CE3 4.08Å; L199-W388 HydrophobicContact CD2-CE3 3.8Å; L199-W388 HydrophobicContact CD2-CZ3 4.27Å; L199-W388 HydrophobicContact CG-CE3 3.8Å; L199-W388 HydrophobicContact CG-CZ3 4.02Å; L199-I391 HydrophobicContact CD1-CG2 3.7Å
200	A	96.1	Very high	94	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.6	-46.1	-179.4	0	0	0	0	0	112.7	W149 E196 T197 V198 D202 S203 I204 L229	W149-A200 HydrophobicContact CB-CB 3.89Å; W149-A200 HydrophobicContact CD2-CB 4.23Å; W149-A200 HydrophobicContact CE3-CB 3.83Å; W149-A200 HydrophobicContact CG-CB 4.29Å; E196-A200 WeakPolarHBondContact O-CB 3.49Å; E196-A200 PolarHBondContact O-N 3.45Å; T197-A200 PolarHBondContact O-N 3.22Å; V198-A200 VanDerWaalsContact C-N 3.32Å; V198-A200 PolarHBondContact O-N 3.29Å; A200-D202 VanDerWaalsContact C-N 3.35Å; A200-S203 PolarHBondContact O-N 3.2Å; A200-S203 PolarHBondContact O-OG 3.27Å; A200-I204 PolarHBondContact O-N 3.07Å; A200-L229 HydrophobicContact CB-CD1 3.83Å; A200-L229 HydrophobicContact CB-CD2 4.36Å; A200-L229 HydrophobicContact CB-CG 3.77Å
201	I	95.2	Very high	93.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-40.6	177.1	-67.2	170.6	0	0	0	110.5	T197 S203 I204 H205 I214 L229 D305 W306 L309	T197-I201 HydrophobicContact CG2-CD1 3.79Å; T197-I201 HydrophobicContact CG2-CG1 4.17Å; T197-I201 WeakPolarHBondContact O-CB 3.4Å; T197-I201 VanDerWaalsContact O-CG1 3.31Å; T197-I201 WeakPolarHBondContact O-CG1 3.48Å; T197-I201 PolarHBondContact O-N 3.31Å; I201-S203 VanDerWaalsContact C-N 3.31Å; I201-S203 PolarHBondContact O-N 2.6Å; I201-I204 WeakPolarHBondContact O-CG1 3.46Å; I201-I204 PolarHBondContact O-N 2.87Å; I201-H205 WeakPolarHBondContact CG2-CE1 3.31Å; I201-H205 WeakPolarHBondContact CG2-NE2 2.99Å; I201-H205 PolarHBondContact O-CD2 3.15Å; I201-H205 PolarHBondContact O-N 3.23Å; I201-I214 HydrophobicContact CD1-CD1 4.02Å; I201-I214 HydrophobicContact CD1-CG1 4.04Å; I201-I214 HydrophobicContact CD1-CG2 4.13Å; I201-I214 HydrophobicContact CG1-CD1 3.9Å; I201-I214 HydrophobicContact CG1-CG1 4.36Å; I201-L229 HydrophobicContact CG1-CD1 4.29Å; I201-D305 HydrophobicContact CG2-CB 3.85Å; I201-W306 HydrophobicContact CB-CE3 4.38Å; I201-W306 HydrophobicContact CB-CH2 3.59Å; I201-W306 HydrophobicContact CB-CZ3 3.49Å; I201-W306 VanDerWaalsContact CB-CZ3 3.49Å; I201-W306 HydrophobicContact CD1-CE3 4.15Å; I201-W306 HydrophobicContact CD1-CZ3 3.87Å; I201-W306 HydrophobicContact CG1-CZ3 4.27Å; I201-W306 HydrophobicContact CG2-CD2 4.41Å; I201-W306 HydrophobicContact CG2-CE3 3.95Å; I201-W306 HydrophobicContact CG2-CH2 3.35Å; I201-W306 HydrophobicContact CG2-CZ2 3.87Å; I201-W306 HydrophobicContact CG2-CZ3 3.4Å; I201-W306 VanDerWaalsContact CG2-CZ3 3.4Å; I201-L309 HydrophobicContact CD1-CB 4.43Å; I201-L309 HydrophobicContact CD1-CD2 4.37Å
202	D	94.6	Very high	93	Very high	20 Å²	20	20.3 Å²	20.3	11%	0.107	11%	0.11	C	C	.	.	H	α-helix	trans	-63.1	-39.8	177.5	-168	48.1	0	0	0	112.1	V198 L199 A200 I204 H205 Q206 W306 I374	V198-D202 WeakPolarHBondContact O-CB 3.28Å; V198-D202 PolarHBondContact O-N 2.95Å; L199-D202 PolarHBondContact O-N 3.46Å; A200-D202 VanDerWaalsContact C-N 3.35Å; D202-I204 VanDerWaalsContact C-N 3.26Å; D202-I204 PolarHBondContact O-N 3.47Å; D202-H205 PolarHBondContact O-N 3.45Å; D202-H205 VanDerWaalsContact O-N 3.08Å; D202-Q206 WeakPolarHBondContact O-CG 3.41Å; D202-Q206 PolarHBondContact O-N 3.22Å; D202-Q206 PolarHBondContact OD2-NE2 3.08Å; D202-W306 HydrophobicContact CB-CH2 4.4Å; D202-I374 HydrophobicContact CB-CD1 3.3Å; D202-I374 WeakPolarHBondContact OD2-CD1 3.36Å
203	S	92.6	Very high	92.4	Very high	19 Å²	19	20.6 Å²	20.6	13%	0.133	11%	0.113	C	C	.	.	H	α-helix	trans	-57.5	-38.9	178.7	78.5	0	0	0	0	112.6	L199 A200 I201 L207	L199-S203 WeakPolarHBondContact O-CB 3.5Å; L199-S203 PolarHBondContact O-N 3.02Å; A200-S203 PolarHBondContact O-N 3.2Å; A200-S203 PolarHBondContact O-OG 3.27Å; I201-S203 VanDerWaalsContact C-N 3.31Å; I201-S203 PolarHBondContact O-N 2.6Å; S203-L207 WeakPolarHBondContact O-CG 3.26Å
204	I	90.8	Very high	92.2	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-79.2	-30.9	176.6	59.9	169.3	0	0	0	112.3	V150 A200 I201 D202 L207 G208 F209 H211 L229 F232	V150-I204 HydrophobicContact CG2-CG2 3.6Å; A200-I204 PolarHBondContact O-N 3.07Å; I201-I204 WeakPolarHBondContact O-CG1 3.46Å; I201-I204 PolarHBondContact O-N 2.87Å; D202-I204 VanDerWaalsContact C-N 3.26Å; D202-I204 PolarHBondContact O-N 3.47Å; I204-L207 PolarHBondContact O-N 3.18Å; I204-G208 PolarHBondContact O-N 2.91Å; I204-F209 PolarHBondContact O-N 3.28Å; I204-H211 HydrophobicContact CD1-CB 3.71Å; I204-L229 HydrophobicContact CD1-CD1 3.81Å; I204-L229 HydrophobicContact CG1-CD1 4.32Å; I204-L229 HydrophobicContact CG2-CD1 4.44Å; I204-F232 HydrophobicContact CD1-CE1 4.37Å; I204-F232 HydrophobicContact CG2-CE1 4.22Å
205	H	91.1	Very high	91.8	Very high	14 Å²	14	22.5 Å²	22.5	7%	0.065	12%	0.121	C	C	.	.	H	α-helix	trans	-67	-37.4	174.1	-74.4	-172.8	0	0	0	112.1	I201 D202 L207 G208 F209 K302 D305 W306	I201-H205 WeakPolarHBondContact CG2-CE1 3.31Å; I201-H205 WeakPolarHBondContact CG2-NE2 2.99Å; I201-H205 PolarHBondContact O-CD2 3.15Å; I201-H205 PolarHBondContact O-N 3.23Å; D202-H205 PolarHBondContact O-N 3.45Å; D202-H205 VanDerWaalsContact O-N 3.08Å; H205-L207 PolarHBondContact O-N 2.84Å; H205-G208 WeakPolarHBondContact O-CA 3.37Å; H205-G208 PolarHBondContact O-N 3.21Å; H205-F209 WeakPolarHBondContact CA-O 3.39Å; H205-F209 PolarHBondContact CD2-O 3.28Å; H205-K302 HydrophobicContact CB-CD 4.19Å; H205-K302 PolarHBondContact CE1-O 3.44Å; H205-D305 IonicContact CD2-OD2 2.93Å; H205-D305 IonicContact CE1-OD2 3.28Å; H205-D305 IonicContact NE2-OD2 2.84Å; H205-D305 PolarHBondContact NE2-OD2 2.99Å; H205-W306 AromaticContact CE1-CE2 3.91Å; H205-W306 AromaticContact CE1-CZ2 3.9Å; H205-W306 AromaticContact ND1-CZ2 3.72Å
206	Q	90.1	Very high	91.6	Very high	149 Å²	149	22.5 Å²	22.5	70%	0.696	12%	0.121	S	C	*	.	H	α-helix	trans	-64.8	-28.1	174.8	-71.4	-178.7	17.1	0	0	112.3	D202 G208	D202-Q206 WeakPolarHBondContact O-CG 3.41Å; D202-Q206 PolarHBondContact O-N 3.22Å; D202-Q206 PolarHBondContact OD2-NE2 3.08Å; Q206-G208 PolarHBondContact O-N 3.22Å
207	L	86.1	Confident	91.2	Very high	71 Å²	71	24 Å²	24	37%	0.372	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.5	171.6	-64	170.7	0	0	0	113.1	A145 S203 I204 H205 F209	A145-L207 HydrophobicContact CB-CD1 3.95Å; S203-L207 WeakPolarHBondContact O-CG 3.26Å; I204-L207 PolarHBondContact O-N 3.18Å; H205-L207 PolarHBondContact O-N 2.84Å; L207-F209 HydrophobicContact CB-CD2 3.66Å; L207-F209 HydrophobicContact CB-CE2 4Å; L207-F209 WeakPolarHBondContact O-CD2 3.32Å; L207-F209 WeakPolarHBondContact O-CE2 3.39Å
208	G	85.3	Confident	90.9	Very high	44 Å²	44	24.3 Å²	24.3	45%	0.454	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	13.8	178.1	0	0	0	0	0	114.7	I204 H205 Q206	I204-G208 PolarHBondContact O-N 2.91Å; H205-G208 WeakPolarHBondContact O-CA 3.37Å; H205-G208 PolarHBondContact O-N 3.21Å; Q206-G208 PolarHBondContact O-N 3.22Å
209	F	84.4	Confident	90.8	Very high	30 Å²	30	24.3 Å²	24.3	13%	0.132	13%	0.131	C	C	.	.			trans	-102	151.5	177.9	-61.3	-79.9	0	0	0	111.7	I141 I204 H205 L207	I141-F209 HydrophobicContact CD1-CB 3.86Å; I141-F209 HydrophobicContact CD1-CD1 3.51Å; I141-F209 HydrophobicContact CD1-CD2 4.38Å; I141-F209 HydrophobicContact CD1-CE1 4.09Å; I141-F209 HydrophobicContact CD1-CG 3.66Å; I141-F209 HydrophobicContact CG1-CB 4.08Å; I141-F209 HydrophobicContact CG1-CD1 3.35Å; I141-F209 HydrophobicContact CG1-CD2 3.66Å; I141-F209 HydrophobicContact CG1-CE1 3.52Å; I141-F209 HydrophobicContact CG1-CE2 3.82Å; I141-F209 HydrophobicContact CG1-CG 3.41Å; I141-F209 VanDerWaalsContact CG1-CG 3.41Å; I141-F209 HydrophobicContact CG1-CZ 3.75Å; I204-F209 PolarHBondContact O-N 3.28Å; H205-F209 WeakPolarHBondContact CA-O 3.39Å; H205-F209 PolarHBondContact CD2-O 3.28Å; L207-F209 HydrophobicContact CB-CD2 3.66Å; L207-F209 HydrophobicContact CB-CE2 4Å; L207-F209 WeakPolarHBondContact O-CD2 3.32Å; L207-F209 WeakPolarHBondContact O-CE2 3.39Å
210	I	86.6	Confident	90.8	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-119.6	131.2	171.7	-53.9	172.6	0	0	0	106.5	R212 C235 L238 K302 D305	I210-R212 HydrophobicContact CB-CG 4.11Å; I210-R212 HydrophobicContact CG2-CG 3.62Å; I210-C235 WeakPolarHBondContact O-CA 3.32Å; I210-L238 HydrophobicContact CD1-CD2 4.04Å; I210-K302 HydrophobicContact CD1-CB 4.16Å; I210-K302 HydrophobicContact CG1-CB 3.88Å; I210-D305 WeakPolarHBondContact CG2-OD2 3.29Å
211	H	88.8	Confident	90.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.			trans	-71.5	-50.2	-174	-164.7	-58.8	0	0	0	112.3	I204 D213 I214 S230 D231 F232 C235 D305	I204-H211 HydrophobicContact CD1-CB 3.71Å; H211-D213 PolarHBondContact CE1-O 3Å; H211-D213 PolarHBondContact ND1-N 3.22Å; H211-D213 PolarHBondContact O-N 3.4Å; H211-D213 VanDerWaalsContact O-N 3.16Å; H211-I214 HydrophobicContact CB-CD1 3.65Å; H211-I214 HydrophobicContact CB-CG1 3.78Å; H211-I214 WeakPolarHBondContact CD2-CD1 3.44Å; H211-S230 PolarHBondContact NE2-O 3.28Å; H211-D231 PolarHBondContact CE1-O 3.48Å; H211-F232 AromaticContact CD2-CD1 3.84Å; H211-F232 AromaticContact CD2-CE1 3.7Å; H211-F232 AromaticContact NE2-CD1 3.95Å; H211-F232 AromaticContact NE2-CE1 3.89Å; H211-C235 WeakPolarHBondContact CA-SG 3.45Å; H211-C235 PolarHBondContact O-SG 2.99Å; H211-D305 PolarHBondContact N-OD2 3.34Å
212	R	86.3	Confident	90.8	Very high	30 Å²	30	26 Å²	26	11%	0.113	14%	0.14	C	C	.	.	S	Bend	trans	67.3	2.6	176.9	-51.7	172	173.2	-169.6	-2.7	116.5	I210 L234 T236 G237 K239 Y300 D305	I210-R212 HydrophobicContact CB-CG 4.11Å; I210-R212 HydrophobicContact CG2-CG 3.62Å; R212-L234 WeakPolarHBondContact CD-O 3.22Å; R212-T236 PolarHBondContact NH1-OG1 3.34Å; R212-T236 PolarHBondContact NH2-OG1 3.34Å; R212-G237 PolarHBondContact NH2-O 3.37Å; R212-G237 VanDerWaalsContact NH2-O 3.11Å; R212-K239 PolarHBondContact NH1-O 3.2Å; R212-K239 PolarHBondContact NH2-O 3.07Å; R212-Y300 VanDerWaalsContact CD-OH 3.23Å; R212-Y300 WeakPolarHBondContact CD-OH 3.38Å; R212-Y300 HydrophobicContact CG-CE2 4.1Å; R212-Y300 PolarHBondContact NE-OH 2.73Å; R212-Y300 VanDerWaalsContact NE-OH 3.11Å; R212-Y300 PolarHBondContact NH1-OH 2.72Å; R212-Y300 VanDerWaalsContact NH1-OH 3.08Å; R212-D305 WeakPolarHBondContact CA-OD1 3.18Å; R212-D305 PolarHBondContact N-OD1 2.68Å
213	D	86.6	Confident	90.8	Very high	29 Å²	29	28.2 Å²	28.2	16%	0.155	16%	0.157	C	C	.	.			trans	-146.6	44.2	-178.7	-156.1	29.6	0	0	0	109.7	H211 K215 N218 L234	H211-D213 PolarHBondContact CE1-O 3Å; H211-D213 PolarHBondContact ND1-N 3.22Å; H211-D213 PolarHBondContact O-N 3.4Å; H211-D213 VanDerWaalsContact O-N 3.16Å; D213-K215 VanDerWaalsContact CG-CE 3.43Å; D213-K215 PolarHBondContact O-N 3.46Å; D213-K215 WeakPolarHBondContact OD1-CE 3.46Å; D213-K215 WeakPolarHBondContact OD2-CE 3.36Å; D213-K215 IonicContact OD2-NZ 3.53Å; D213-K215 PolarHBondContact OD2-NZ 3.09Å; D213-N218 PolarHBondContact O-ND2 3.49Å; D213-N218 PolarHBondContact OD2-ND2 2.96Å; D213-L234 HydrophobicContact CB-CB 4.31Å; D213-L234 HydrophobicContact CB-CD1 3.86Å; D213-L234 HydrophobicContact CB-CG 4.48Å
214	I	93.1	Very high	90.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.174	C	C	.	.			trans	-75.3	117	175.5	-66	-63.6	0	0	0	108.2	I201 H211 L229 Y289 D305 S308 I312	I201-I214 HydrophobicContact CD1-CD1 4.02Å; I201-I214 HydrophobicContact CD1-CG1 4.04Å; I201-I214 HydrophobicContact CD1-CG2 4.13Å; I201-I214 HydrophobicContact CG1-CD1 3.9Å; I201-I214 HydrophobicContact CG1-CG1 4.36Å; H211-I214 HydrophobicContact CB-CD1 3.65Å; H211-I214 HydrophobicContact CB-CG1 3.78Å; H211-I214 WeakPolarHBondContact CD2-CD1 3.44Å; I214-L229 HydrophobicContact CD1-CD2 4.05Å; I214-Y289 WeakPolarHBondContact O-CB 3.48Å; I214-D305 HydrophobicContact CG1-CB 4.05Å; I214-S308 WeakPolarHBondContact O-CB 3.37Å; I214-I312 HydrophobicContact CG2-CD1 3.59Å
215	K	91.9	Very high	91.1	Very high	39 Å²	39	33.4 Å²	33.4	17%	0.17	17%	0.173	C	C	.	.	S	Bend	trans	-161.4	160.9	-178.3	51.9	-178.3	177.2	152.8	0	109.2	D213 D217 N218 Y289	D213-K215 VanDerWaalsContact CG-CE 3.43Å; D213-K215 PolarHBondContact O-N 3.46Å; D213-K215 WeakPolarHBondContact OD1-CE 3.46Å; D213-K215 WeakPolarHBondContact OD2-CE 3.36Å; D213-K215 IonicContact OD2-NZ 3.53Å; D213-K215 PolarHBondContact OD2-NZ 3.09Å; K215-D217 VanDerWaalsContact C-N 3.29Å; K215-D217 WeakPolarHBondContact CD-OD1 3.45Å; K215-D217 WeakPolarHBondContact CD-OD2 3.29Å; K215-D217 WeakPolarHBondContact CE-OD2 3.43Å; K215-D217 WeakPolarHBondContact CG-OD1 3.29Å; K215-D217 IonicContact NZ-OD1 3.9Å; K215-D217 IonicContact NZ-OD2 2.99Å; K215-D217 PolarHBondContact NZ-OD2 2.9Å; K215-D217 PolarHBondContact O-N 3.34Å; K215-N218 WeakPolarHBondContact CE-ND2 2.9Å; K215-N218 HydrophobicContact CG-CB 4.27Å; K215-N218 PolarHBondContact O-N 2.89Å; K215-Y289 HydrophobicContact CB-CD1 4.28Å; K215-Y289 HydrophobicContact CB-CD2 3.73Å; K215-Y289 HydrophobicContact CB-CE2 4.11Å; K215-Y289 HydrophobicContact CB-CG 3.88Å
216	P	93.5	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.1	-30.6	-171.3	-26.6	37.3	0	0	0	115	M175 M176 L179 N218 L219 Y289 I312 E315	M175-P216 HydrophobicContact CB-CB 4.08Å; M175-P216 VanDerWaalsContact CB-O 3.29Å; M175-P216 WeakPolarHBondContact CB-O 3.35Å; M175-P216 HydrophobicContact CG-CB 4.12Å; M175-P216 PolarHBondContact N-O 2.82Å; M176-P216 HydrophobicContact CB-CB 3.91Å; M176-P216 PolarHBondContact N-O 3.28Å; L179-P216 HydrophobicContact CD1-CB 4.15Å; L179-P216 HydrophobicContact CD1-CG 4.18Å; P216-N218 PolarHBondContact O-N 2.74Å; P216-L219 PolarHBondContact O-N 3.5Å; P216-Y289 HydrophobicContact CG-CE1 4.29Å; P216-I312 HydrophobicContact CG-CG1 4.12Å; P216-I312 HydrophobicContact CG-CG2 4.45Å; P216-E315 WeakPolarHBondContact CG-OE2 3.25Å
217	D	88.7	Confident	91.8	Very high	32 Å²	32	25.7 Å²	25.7	17%	0.171	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-67.3	-22.2	175.6	48.7	-64.6	0	0	0	113.7	M176 K215	M176-D217 HydrophobicContact CB-CB 4.22Å; M176-D217 HydrophobicContact SD-CB 4.22Å; K215-D217 VanDerWaalsContact C-N 3.29Å; K215-D217 WeakPolarHBondContact CD-OD1 3.45Å; K215-D217 WeakPolarHBondContact CD-OD2 3.29Å; K215-D217 WeakPolarHBondContact CE-OD2 3.43Å; K215-D217 WeakPolarHBondContact CG-OD1 3.29Å; K215-D217 IonicContact NZ-OD1 3.9Å; K215-D217 IonicContact NZ-OD2 2.99Å; K215-D217 PolarHBondContact NZ-OD2 2.9Å; K215-D217 PolarHBondContact O-N 3.34Å
218	N	92.2	Very high	92.3	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.032	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-93.3	-4.3	178	-72.5	-9.8	0	0	0	113.2	D213 K215 P216 S230 D231	D213-N218 PolarHBondContact O-ND2 3.49Å; D213-N218 PolarHBondContact OD2-ND2 2.96Å; K215-N218 WeakPolarHBondContact CE-ND2 2.9Å; K215-N218 HydrophobicContact CG-CB 4.27Å; K215-N218 PolarHBondContact O-N 2.89Å; P216-N218 PolarHBondContact O-N 2.74Å; N218-S230 PolarHBondContact O-N 3.45Å; N218-S230 PolarHBondContact O-OG 3.45Å; N218-D231 WeakPolarHBondContact OD1-CB 3.34Å
219	L	96.1	Very high	92.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	101.8	174.3	-56.2	-175.1	0	0	0	109.3	D174 M175 T197 P216 V227 L229 I312	D174-L219 CarbonylContact C-O 3.53Å; D174-L219 WeakPolarHBondContact CA-O 3.35Å; M175-L219 HydrophobicContact CB-CB 3.84Å; M175-L219 PolarHBondContact N-O 2.68Å; T197-L219 HydrophobicContact CG2-CD1 4.21Å; T197-L219 HydrophobicContact CG2-CD2 3.93Å; P216-L219 PolarHBondContact O-N 3.5Å; L219-V227 HydrophobicContact CB-CG1 4.43Å; L219-V227 HydrophobicContact CD2-CG1 4.37Å; L219-L229 HydrophobicContact CD2-CD2 3.32Å; L219-I312 HydrophobicContact CD1-CD1 3.98Å; L219-I312 HydrophobicContact CD1-CG2 4.45Å
220	L	96.3	Very high	93	Very high	36 Å²	36	20.3 Å²	20.3	19%	0.188	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	156	-180	-57.7	-172.7	0	0	0	111.8	V151 L170 G173 D174 V227 K228 S230	V151-L220 HydrophobicContact CG2-CD1 3.88Å; L170-L220 HydrophobicContact CB-CB 4.45Å; L170-L220 HydrophobicContact CD1-CB 3.54Å; L170-L220 HydrophobicContact CD1-CD1 3.99Å; L170-L220 HydrophobicContact CD1-CG 4.42Å; G173-L220 CarbonylContact O-C 3.49Å; G173-L220 WeakPolarHBondContact O-CA 3.17Å; D174-L220 HydrophobicContact CB-CD2 3.63Å; L220-V227 CarbonylContact O-C 3.59Å; L220-V227 WeakPolarHBondContact O-CA 3.47Å; L220-K228 PolarHBondContact N-O 2.96Å; L220-K228 PolarHBondContact O-N 3.39Å; L220-S230 WeakPolarHBondContact CG-OG 3.31Å
221	L	96.8	Very high	92.6	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126	179.2	-60	176.2	0	0	0	110.5	L170 G172 G173 M175 L178 Y193 H226 V227 I400	L170-L221 WeakPolarHBondContact CB-O 3.31Å; G172-L221 WeakPolarHBondContact CA-O 3.48Å; G172-L221 PolarHBondContact N-O 3.46Å; G173-L221 PolarHBondContact O-N 3.17Å; M175-L221 HydrophobicContact CE-CD2 4.15Å; L178-L221 HydrophobicContact CD2-CD1 3.73Å; Y193-L221 HydrophobicContact CD1-CD2 4.42Å; Y193-L221 HydrophobicContact CE1-CD2 3.85Å; L221-H226 WeakPolarHBondContact CA-O 3.37Å; L221-V227 HydrophobicContact CD2-CG2 4.17Å; L221-I400 HydrophobicContact CB-CD1 4.37Å; L221-I400 HydrophobicContact CD1-CD1 4.09Å
222	D	95.1	Very high	91.8	Very high	20 Å²	20	22.9 Å²	22.9	11%	0.107	11%	0.114	C	C	.	.			trans	-71.9	178	173.3	70.7	24.7	0	0	0	112.4	L170 R224 G225 H226 R392	L170-D222 HydrophobicContact CD2-CB 3.95Å; D222-R224 PolarHBondContact O-N 2.77Å; D222-R224 VanDerWaalsContact O-N 3.09Å; D222-R224 WeakPolarHBondContact OD1-CA 3.46Å; D222-R224 WeakPolarHBondContact OD1-CB 3.31Å; D222-R224 PolarHBondContact OD1-N 3.02Å; D222-G225 PolarHBondContact O-N 2.95Å; D222-G225 PolarHBondContact OD1-N 3.5Å; D222-H226 PolarHBondContact N-O 2.9Å; D222-H226 IonicContact OD1-CD2 2.72Å; D222-H226 PolarHBondContact OD1-N 2.96Å; D222-R392 IonicContact OD2-NH2 2.98Å; D222-R392 PolarHBondContact OD2-NH2 3.25Å
223	S	94.3	Very high	90.5	Very high	67 Å²	67	22.2 Å²	22.2	47%	0.469	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15	-178.8	56.7	0	0	0	0	114.3
224	R	94.9	Very high	89.1	Confident	129 Å²	129	22 Å²	22	49%	0.487	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-6.2	175.7	-71.8	175.4	56.9	-154	-11.5	112.4	D222 H226 R392 R394 A396	D222-R224 PolarHBondContact O-N 2.77Å; D222-R224 VanDerWaalsContact O-N 3.09Å; D222-R224 WeakPolarHBondContact OD1-CA 3.46Å; D222-R224 WeakPolarHBondContact OD1-CB 3.31Å; D222-R224 PolarHBondContact OD1-N 3.02Å; R224-H226 PolarHBondContact NH2-NE2 2.89Å; R224-R392 PolarHBondContact NH1-O 3.28Å; R224-R392 PolarHBondContact NH2-O 3.45Å; R224-R394 PolarHBondContact NH2-O 3.33Å; R224-A396 VanDerWaalsContact O-CB 3.26Å; R224-A396 WeakPolarHBondContact O-CB 3.3Å
225	G	95.9	Very high	87.3	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	89.2	13.5	-180	0	0	0	0	0	115.2	D222 A396 I400	D222-G225 PolarHBondContact O-N 2.95Å; D222-G225 PolarHBondContact OD1-N 3.5Å; G225-A396 WeakPolarHBondContact O-CB 3.16Å; G225-I400 VanDerWaalsContact CA-CG1 3.43Å
226	H	97.7	Very high	85.6	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.			trans	-88.3	149.8	176.2	-62.6	-89.7	0	0	0	111.8	F192 E196 L221 D222 R224 R392 R394	F192-H226 AromaticContact CZ-CE1 3.86Å; F192-H226 AromaticContact CZ-ND1 3.58Å; E196-H226 IonicContact OE1-CE1 3.39Å; E196-H226 IonicContact OE1-CG 3.62Å; E196-H226 IonicContact OE1-ND1 3.07Å; E196-H226 PolarHBondContact OE1-ND1 2.8Å; E196-H226 WeakPolarHBondContact OE2-CA 3.37Å; E196-H226 IonicContact OE2-ND1 2.75Å; L221-H226 WeakPolarHBondContact CA-O 3.37Å; D222-H226 PolarHBondContact N-O 2.9Å; D222-H226 IonicContact OD1-CD2 2.72Å; D222-H226 PolarHBondContact OD1-N 2.96Å; R224-H226 PolarHBondContact NH2-NE2 2.89Å; H226-R392 HydrophobicContact CB-CG 4.28Å; H226-R392 PolarHBondContact CE1-O 3.29Å; H226-R392 PolarHBondContact NE2-O 2.99Å; H226-R394 PolarHBondContact CE1-O 3.41Å; H226-R394 PolarHBondContact NE2-O 2.85Å; H226-R394 VanDerWaalsContact NE2-O 3.13Å
227	V	97.3	Very high	83.3	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	140.4	-175.8	178.5	0	0	0	0	111.5	Y193 E196 L219 L220 L221 R392	Y193-V227 HydrophobicContact CD1-CG2 3.7Å; Y193-V227 HydrophobicContact CE1-CG2 4.4Å; E196-V227 HydrophobicContact CB-CB 4.11Å; E196-V227 HydrophobicContact CB-CG2 4.07Å; E196-V227 PolarHBondContact OE2-N 3.28Å; L219-V227 HydrophobicContact CB-CG1 4.43Å; L219-V227 HydrophobicContact CD2-CG1 4.37Å; L220-V227 CarbonylContact O-C 3.59Å; L220-V227 WeakPolarHBondContact O-CA 3.47Å; L221-V227 HydrophobicContact CD2-CG2 4.17Å; V227-R392 PolarHBondContact O-NH1 2.96Å; V227-R392 PolarHBondContact O-NH2 3.41Å
228	K	96.5	Very high	80.9	Confident	17 Å²	17	28.6 Å²	28.6	7%	0.074	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.2	160.2	-63.7	-162.3	-175.9	-166.6	0	110.6	G147 W149 V151 E168 L170 L220	G147-K228 WeakPolarHBondContact O-CE 3.39Å; G147-K228 PolarHBondContact O-NZ 3.18Å; W149-K228 CarbonylContact O-C 3.52Å; W149-K228 VanDerWaalsContact O-CA 3.32Å; W149-K228 WeakPolarHBondContact O-CA 3.36Å; V151-K228 HydrophobicContact CG2-CB 4.32Å; E168-K228 VanDerWaalsContact CD-NZ 3.3Å; E168-K228 IonicContact OE1-NZ 3.14Å; E168-K228 PolarHBondContact OE1-NZ 3.19Å; E168-K228 IonicContact OE2-NZ 3.78Å; E168-K228 PolarHBondContact OE2-NZ 3.33Å; E168-K228 VanDerWaalsContact OE2-NZ 3.14Å; L170-K228 HydrophobicContact CD1-CB 3.9Å; L170-K228 HydrophobicContact CD1-CD 4.04Å; L170-K228 HydrophobicContact CD1-CG 4.27Å; L170-K228 HydrophobicContact CD2-CD 4.28Å; L220-K228 PolarHBondContact N-O 2.96Å; L220-K228 PolarHBondContact O-N 3.39Å
229	L	94.6	Very high	78.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	139.1	174.1	-62.6	179.2	0	0	0	110.9	W149 V150 V151 A200 I201 I204 I214 L219 F232	W149-L229 PolarHBondContact O-N 2.89Å; V150-L229 HydrophobicContact CG2-CB 4.48Å; V151-L229 WeakPolarHBondContact CG2-O 3.35Å; V151-L229 PolarHBondContact N-O 2.78Å; A200-L229 HydrophobicContact CB-CD1 3.83Å; A200-L229 HydrophobicContact CB-CD2 4.36Å; A200-L229 HydrophobicContact CB-CG 3.77Å; I201-L229 HydrophobicContact CG1-CD1 4.29Å; I204-L229 HydrophobicContact CD1-CD1 3.81Å; I204-L229 HydrophobicContact CG1-CD1 4.32Å; I204-L229 HydrophobicContact CG2-CD1 4.44Å; I214-L229 HydrophobicContact CD1-CD2 4.05Å; L219-L229 HydrophobicContact CD2-CD2 3.32Å; L229-F232 HydrophobicContact CB-CE1 4.11Å; L229-F232 HydrophobicContact CB-CZ 3.75Å
230	S	89.8	Confident	75.3	Confident	16 Å²	16	43.2 Å²	43.2	11%	0.112	23%	0.225	C	C	.	.			trans	-133.9	169.3	176.4	72.4	0	0	0	0	111.2	H211 N218 L220	H211-S230 PolarHBondContact NE2-O 3.28Å; N218-S230 PolarHBondContact O-N 3.45Å; N218-S230 PolarHBondContact O-OG 3.45Å; L220-S230 WeakPolarHBondContact CG-OG 3.31Å
231	D	78.1	Confident	72.7	Confident	57 Å²	57	43.2 Å²	43.2	31%	0.305	23%	0.23	S	C	.	.			trans	56.2	73.3	175.7	-156.8	10.1	0	0	0	115.3	K119 H211 N218 G233	K119-D231 IonicContact NZ-OD1 3.18Å; K119-D231 PolarHBondContact NZ-OD1 3.04Å; H211-D231 PolarHBondContact CE1-O 3.48Å; N218-D231 WeakPolarHBondContact OD1-CB 3.34Å; D231-G233 PolarHBondContact O-N 3.34Å
232	F	71.4	Confident	70.2	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	27%	0.267	C	S	.	.			trans	-83.7	19.4	175.7	-55.9	-80.6	0	0	0	112.8	E138 I141 L142 V150 I204 H211 L229 L234 C235	E138-F232 HydrophobicContact CB-CB 4.07Å; E138-F232 HydrophobicContact CG-CB 4.04Å; I141-F232 HydrophobicContact CB-CG 4.34Å; I141-F232 HydrophobicContact CD1-CB 3.93Å; I141-F232 HydrophobicContact CD1-CD1 4.12Å; I141-F232 HydrophobicContact CD1-CG 4.19Å; I141-F232 HydrophobicContact CG2-CD1 3.82Å; I141-F232 HydrophobicContact CG2-CD2 4.1Å; I141-F232 HydrophobicContact CG2-CE1 3.98Å; I141-F232 HydrophobicContact CG2-CE2 4.28Å; I141-F232 HydrophobicContact CG2-CG 3.89Å; I141-F232 HydrophobicContact CG2-CZ 4.22Å; L142-F232 HydrophobicContact CD2-CD2 3.9Å; L142-F232 HydrophobicContact CD2-CE2 3.73Å; L142-F232 HydrophobicContact CG-CD2 4.02Å; L142-F232 HydrophobicContact CG-CE2 4.34Å; V150-F232 HydrophobicContact CB-CZ 4.15Å; V150-F232 HydrophobicContact CG1-CE2 3.39Å; V150-F232 HydrophobicContact CG1-CZ 3.38Å; V150-F232 HydrophobicContact CG2-CE1 4.46Å; V150-F232 HydrophobicContact CG2-CZ 3.82Å; I204-F232 HydrophobicContact CD1-CE1 4.37Å; I204-F232 HydrophobicContact CG2-CE1 4.22Å; H211-F232 AromaticContact CD2-CD1 3.84Å; H211-F232 AromaticContact CD2-CE1 3.7Å; H211-F232 AromaticContact NE2-CD1 3.95Å; H211-F232 AromaticContact NE2-CE1 3.89Å; L229-F232 HydrophobicContact CB-CE1 4.11Å; L229-F232 HydrophobicContact CB-CZ 3.75Å; F232-L234 PolarHBondContact O-N 2.85Å; F232-C235 WeakPolarHBondContact CA-SG 3.4Å; F232-C235 HydrophobicContact CB-CB 4.08Å; F232-C235 WeakPolarHBondContact CB-SG 3.42Å; F232-C235 VanDerWaalsContact CD1-SG 3.56Å; F232-C235 WeakPolarHBondContact O-CB 3.19Å; F232-C235 PolarHBondContact O-N 3.48Å; F232-C235 PolarHBondContact O-SG 2.96Å; F232-C235 VanDerWaalsContact O-SG 3.35Å
233	G	60	Low	68.2	Low	16 Å²	16	56.5 Å²	56.5	17%	0.165	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	2.2	-174.4	0	0	0	0	0	115.5	H134 D231	H134-G233 WeakPolarHBondContact CB-O 3.35Å; D231-G233 PolarHBondContact O-N 3.34Å
234	L	56.4	Low	66.4	Low	25 Å²	25	54.6 Å²	54.6	13%	0.131	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	1	167	-65.5	178.6	0	0	0	112.3	R212 D213 F232 T236	R212-L234 WeakPolarHBondContact CD-O 3.22Å; D213-L234 HydrophobicContact CB-CB 4.31Å; D213-L234 HydrophobicContact CB-CD1 3.86Å; D213-L234 HydrophobicContact CB-CG 4.48Å; F232-L234 PolarHBondContact O-N 2.85Å; L234-T236 PolarHBondContact O-N 2.67Å
235	C	56.8	Low	64.7	Low	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.			trans	-65.8	130.5	176.3	-57.5	0	0	0	0	108.5	A137 I141 I210 H211 F232	A137-C235 WeakPolarHBondContact CB-O 3.28Å; I141-C235 HydrophobicContact CD1-CB 3.31Å; I210-C235 WeakPolarHBondContact O-CA 3.32Å; H211-C235 WeakPolarHBondContact CA-SG 3.45Å; H211-C235 PolarHBondContact O-SG 2.99Å; F232-C235 WeakPolarHBondContact CA-SG 3.4Å; F232-C235 HydrophobicContact CB-CB 4.08Å; F232-C235 WeakPolarHBondContact CB-SG 3.42Å; F232-C235 VanDerWaalsContact CD1-SG 3.56Å; F232-C235 WeakPolarHBondContact O-CB 3.19Å; F232-C235 PolarHBondContact O-N 3.48Å; F232-C235 PolarHBondContact O-SG 2.96Å; F232-C235 VanDerWaalsContact O-SG 3.35Å
236	T	54.7	Low	62.9	Low	27 Å²	27	59.2 Å²	59.2	17%	0.166	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-132.3	161.6	163.7	84.3	0	0	0	0	107.6	R212 L234 K239	R212-T236 PolarHBondContact NH1-OG1 3.34Å; R212-T236 PolarHBondContact NH2-OG1 3.34Å; L234-T236 PolarHBondContact O-N 2.67Å; T236-K239 PolarHBondContact OG1-O 3.39Å; T236-K239 VanDerWaalsContact OG1-O 3.12Å
237	G	45.9	Very low	61.1	Low	37 Å²	37	60.1 Å²	60.1	38%	0.381	30%	0.3	S	S	.	.	S	Bend	trans	-55.9	177.9	161.2	0	0	0	0	0	111.1	R212 K239	R212-G237 PolarHBondContact NH2-O 3.37Å; R212-G237 VanDerWaalsContact NH2-O 3.11Å; G237-K239 PolarHBondContact O-N 2.98Å
238	L	39	Very low	59.4	Low	146 Å²	146	66.8 Å²	66.8	76%	0.764	33%	0.325	S	S	*	.	S	Bend	trans	-53.1	12.5	-174.5	-70.2	162.6	0	0	0	118	I210	I210-L238 HydrophobicContact CD1-CD2 4.04Å
239	K	32.8	Very low	57.8	Low	175 Å²	175	73.1 Å²	73.1	76%	0.761	36%	0.36	S	S	*	.	S	Bend	trans	-89.2	141.3	175.5	-63.1	-175.7	178.2	-179.5	0	111.9	R212 T236 G237	R212-K239 PolarHBondContact NH1-O 3.2Å; R212-K239 PolarHBondContact NH2-O 3.07Å; T236-K239 PolarHBondContact OG1-O 3.39Å; T236-K239 VanDerWaalsContact OG1-O 3.12Å; G237-K239 PolarHBondContact O-N 2.98Å
240	K	37.4	Very low	56.3	Low	138 Å²	138	74.9 Å²	74.9	60%	0.6	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-59	136.7	-173.6	-62.5	-176.1	174.6	-166.1	0	112.8	Q297 T298	K240-Q297 PolarHBondContact NZ-O 3.5Å; K240-T298 PolarHBondContact NZ-O 2.68Å
241	A	42.1	Very low	55.2	Low	36 Å²	36	77.9 Å²	77.9	30%	0.298	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-89.2	157.4	176.3	0	0	0	0	0	114.1	Y300	A241-Y300 HydrophobicContact CB-CE1 4.35Å; A241-Y300 WeakPolarHBondContact CB-OH 3.21Å
242	H	44	Very low	54.8	Low	171 Å²	171	79.6 Å²	79.6	79%	0.792	39%	0.393	S	S	*	.	S	Bend	trans	-98	16.1	-163.5	-91	-100	0	0	0	117.1	T244	H242-T244 PolarHBondContact O-N 3.3Å
243	R	53.1	Low	54.9	Low	129 Å²	129	84.2 Å²	84.2	49%	0.487	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-88.1	4.5	-174.8	-79.2	-169.7	177	179.2	1.5	116.5	E245	R243-E245 VanDerWaalsContact C-N 3.26Å; R243-E245 PolarHBondContact O-N 2.94Å
244	T	55.8	Low	55.6	Low	27 Å²	27	87.6 Å²	87.6	17%	0.166	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-74	-12.5	-174.4	-22.8	0	0	0	0	114.1	H242 F246 Y247 R248 F295 Q297	H242-T244 PolarHBondContact O-N 3.3Å; T244-F246 PolarHBondContact O-N 3.25Å; T244-Y247 PolarHBondContact O-N 2.84Å; T244-R248 PolarHBondContact O-N 2.97Å; T244-F295 WeakPolarHBondContact CG2-O 3.5Å; T244-Q297 HydrophobicContact CG2-CG 4.26Å
245	E	59.6	Low	56.5	Low	120 Å²	120	87.1 Å²	87.1	56%	0.561	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-67.5	-37.9	-171.4	-55.6	-145.6	126.2	0	0	113.8	R243 Y247 R248	R243-E245 VanDerWaalsContact C-N 3.26Å; R243-E245 PolarHBondContact O-N 2.94Å; E245-Y247 PolarHBondContact O-N 3.4Å; E245-R248 WeakPolarHBondContact O-CB 3.46Å; E245-R248 PolarHBondContact O-N 3.28Å; E245-R248 IonicContact OE1-CZ 3.03Å; E245-R248 IonicContact OE1-NH1 2.69Å; E245-R248 PolarHBondContact OE1-NH1 3.2Å; E245-R248 IonicContact OE1-NH2 3.81Å; E245-R248 PolarHBondContact OE1-NH2 3.48Å
246	F	57.4	Low	57.5	Low	105 Å²	105	90.7 Å²	90.7	46%	0.461	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.3	-179.5	-175.3	-95.7	0	0	0	112.6	T244	T244-F246 PolarHBondContact O-N 3.25Å
247	Y	60.5	Low	58.6	Low	19 Å²	19	90.3 Å²	90.3	8%	0.075	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-0.3	-177.6	-56.6	-78.5	0	0	0	113.4	T244 E245 N249 L250 P287 F295 Y332	T244-Y247 PolarHBondContact O-N 2.84Å; E245-Y247 PolarHBondContact O-N 3.4Å; Y247-N249 PolarHBondContact O-N 3.21Å; Y247-N249 VanDerWaalsContact O-N 3.1Å; Y247-L250 PolarHBondContact O-N 2.92Å; Y247-P287 WeakPolarHBondContact OH-CG 3.4Å; Y247-F295 AromaticContact CD2-CD1 3.9Å; Y247-F295 HydrophobicContact CD2-CD1 3.9Å; Y247-F295 AromaticContact CD2-CE1 3.73Å; Y247-F295 HydrophobicContact CD2-CE1 3.73Å; Y247-F295 HydrophobicContact CE2-CD1 4.35Å; Y247-F295 AromaticContact CE2-CE1 3.72Å; Y247-F295 HydrophobicContact CE2-CE1 3.72Å; Y247-F295 HydrophobicContact CG-CD1 4.41Å; Y247-F295 HydrophobicContact CG-CE1 4.47Å; Y247-Y332 HydrophobicContact CD1-CD1 4.14Å; Y247-Y332 AromaticContact CD1-CD2 3.64Å; Y247-Y332 HydrophobicContact CD1-CD2 3.64Å; Y247-Y332 HydrophobicContact CD1-CE2 4.2Å; Y247-Y332 AromaticContact CD1-CG 3.58Å; Y247-Y332 HydrophobicContact CD1-CG 3.58Å; Y247-Y332 HydrophobicContact CD2-CD2 4.49Å; Y247-Y332 HydrophobicContact CE1-CD2 4.15Å; Y247-Y332 AromaticContact CE1-CG 4Å; Y247-Y332 HydrophobicContact CE1-CG 4Å; Y247-Y332 AromaticContact CG-CD2 3.83Å; Y247-Y332 HydrophobicContact CG-CD2 3.83Å; Y247-Y332 HydrophobicContact CG-CE2 4.03Å; Y247-Y332 HydrophobicContact CG-CG 4.24Å
248	R	62	Low	60.1	Low	140 Å²	140	95 Å²	95	53%	0.528	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31	-173.3	-173.7	-177.7	-76.3	148.1	-3.9	113.6	T244 E245	T244-R248 PolarHBondContact O-N 2.97Å; E245-R248 WeakPolarHBondContact O-CB 3.46Å; E245-R248 PolarHBondContact O-N 3.28Å; E245-R248 IonicContact OE1-CZ 3.03Å; E245-R248 IonicContact OE1-NH1 2.69Å; E245-R248 PolarHBondContact OE1-NH1 3.2Å; E245-R248 IonicContact OE1-NH2 3.81Å; E245-R248 PolarHBondContact OE1-NH2 3.48Å
249	N	61.7	Low	61.8	Low	151 Å²	151	92.5 Å²	92.5	81%	0.807	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	4.2	-177.4	-62.1	-17.6	0	0	0	113.4	Y247	Y247-N249 PolarHBondContact O-N 3.21Å; Y247-N249 VanDerWaalsContact O-N 3.1Å
250	L	63.7	Low	63.9	Low	36 Å²	36	84.5 Å²	84.5	19%	0.188	43%	0.427	C	S	.	.			trans	-86.9	124.3	177.2	-94.9	80.1	0	0	0	110.6	Y247 Q329 Y332	Y247-L250 PolarHBondContact O-N 2.92Å; L250-Q329 HydrophobicContact CD1-CG 4.45Å; L250-Q329 HydrophobicContact CD2-CB 3.64Å; L250-Q329 HydrophobicContact CD2-CG 3.63Å; L250-Y332 HydrophobicContact CB-CD1 4.34Å; L250-Y332 HydrophobicContact CB-CE1 4Å; L250-Y332 HydrophobicContact CD2-CD1 4.05Å
251	T	66.3	Low	65.7	Low	80 Å²	80	81 Å²	81	49%	0.491	41%	0.413	S	S	.	.			trans	-70.6	139.4	170.4	52.6	0	0	0	0	110.6	N253	T251-N253 PolarHBondContact O-N 3.5Å; T251-N253 PolarHBondContact OG1-ND2 2.9Å
252	H	70.1	Confident	67.5	Low	92 Å²	92	85.9 Å²	85.9	43%	0.426	43%	0.434	S	S	.	.			trans	-69.7	23	176.4	-61.4	-67.7	0	0	0	114.8	Y332 N337	H252-Y332 AromaticContact CE1-CZ 3.89Å; H252-Y332 PolarHBondContact CE1-OH 3.38Å; H252-Y332 AromaticContact ND1-CZ 4Å; H252-Y332 PolarHBondContact ND1-OH 3.3Å; H252-N337 PolarHBondContact O-ND2 3.07Å
253	N	74.1	Confident	69.4	Low	99 Å²	99	80 Å²	80	53%	0.529	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-58.1	151.8	178.2	-66.9	-7.8	0	0	0	110.3	T251 R333	T251-N253 PolarHBondContact O-N 3.5Å; T251-N253 PolarHBondContact OG1-ND2 2.9Å; N253-R333 WeakPolarHBondContact O-CD 3.46Å; N253-R333 WeakPolarHBondContact O-CG 3.29Å
254	P	73.1	Confident	71	Confident	87 Å²	87	77.7 Å²	77.7	57%	0.565	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-52.1	148.4	174.9	-24.4	32.8	0	0	0	111.5
255	P	77.3	Confident	72.5	Confident	14 Å²	14	76.8 Å²	76.8	9%	0.091	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-60.2	144.5	178.1	26.7	-35.1	0	0	0	111.4	E330 R333 K334 T341	P255-E330 WeakPolarHBondContact CA-OE2 3.2Å; P255-E330 WeakPolarHBondContact CB-OE2 3.28Å; P255-R333 HydrophobicContact CB-CB 4.2Å; P255-K334 HydrophobicContact CB-CG 3.97Å; P255-K334 HydrophobicContact CG-CG 3.9Å; P255-T341 HydrophobicContact CG-CG2 4.13Å
256	S	77.3	Confident	73.8	Confident	75 Å²	75	78 Å²	78	52%	0.524	40%	0.403	S	S	.	.			trans	-107.9	4.5	-172.8	65.7	0	0	0	0	114.2	F258 E330	S256-F258 VanDerWaalsContact C-N 3.27Å; S256-F258 VanDerWaalsContact O-CD2 3.31Å; S256-F258 WeakPolarHBondContact O-CD2 3.49Å; S256-F258 PolarHBondContact O-N 3.34Å; S256-E330 PolarHBondContact N-OE2 3.38Å; S256-E330 PolarHBondContact OG-OE1 3.22Å
257	D	78.4	Confident	75.1	Confident	19 Å²	19	80 Å²	80	10%	0.102	41%	0.407	C	S	.	.			trans	-83.5	53.7	-176.6	69.1	-31.7	0	0	0	113.5	S259 F260 Q261 E330 K334	D257-S259 PolarHBondContact O-N 3.29Å; D257-S259 VanDerWaalsContact O-N 3.1Å; D257-F260 HydrophobicContact CB-CB 4.22Å; D257-F260 PolarHBondContact O-N 3.46Å; D257-Q261 WeakPolarHBondContact O-CG 3.15Å; D257-Q261 PolarHBondContact O-N 3Å; D257-Q261 WeakPolarHBondContact OD1-CG 3.44Å; D257-Q261 PolarHBondContact OD1-NE2 3.45Å; D257-E330 HydrophobicContact CB-CG 4.24Å; D257-K334 WeakPolarHBondContact OD1-CE 3.26Å; D257-K334 IonicContact OD1-NZ 3.34Å; D257-K334 WeakPolarHBondContact OD2-CE 3.36Å; D257-K334 IonicContact OD2-NZ 3.96Å; D257-K334 PolarHBondContact OD2-NZ 2.67Å
258	F	76.3	Confident	76.4	Confident	137 Å²	137	80.8 Å²	80.8	60%	0.601	41%	0.411	S	S	*	.	H	α-helix	trans	-53.6	-34.5	-176.5	-62	-74.3	0	0	0	114.1	S256 N262	S256-F258 VanDerWaalsContact C-N 3.27Å; S256-F258 VanDerWaalsContact O-CD2 3.31Å; S256-F258 WeakPolarHBondContact O-CD2 3.49Å; S256-F258 PolarHBondContact O-N 3.34Å; F258-N262 WeakPolarHBondContact O-CB 3.49Å; F258-N262 VanDerWaalsContact O-CG 3.28Å; F258-N262 PolarHBondContact O-N 3.26Å; F258-N262 PolarHBondContact O-ND2 3.31Å
259	S	74.6	Confident	77.5	Confident	93 Å²	93	74.7 Å²	74.7	65%	0.65	39%	0.391	S	S	*	.	H	α-helix	trans	-64.9	-44.4	177.4	52.8	0	0	0	0	112.1	D257 M263	D257-S259 PolarHBondContact O-N 3.29Å; D257-S259 VanDerWaalsContact O-N 3.1Å; S259-M263 VanDerWaalsContact O-CG 3.28Å; S259-M263 WeakPolarHBondContact O-CG 3.45Å
260	F	77.6	Confident	78.7	Confident	7 Å²	7	72.6 Å²	72.6	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-72.5	-40.6	180	-174.2	-89.3	0	0	0	111.3	D257 N262 M263 K268 T271 C324 E326	D257-F260 HydrophobicContact CB-CB 4.22Å; D257-F260 PolarHBondContact O-N 3.46Å; F260-N262 VanDerWaalsContact C-N 3.34Å; F260-N262 PolarHBondContact O-N 3.47Å; F260-M263 HydrophobicContact CD2-SD 3.94Å; F260-M263 HydrophobicContact CE2-SD 4.45Å; F260-M263 HydrophobicContact CG-SD 4.5Å; F260-M263 WeakPolarHBondContact O-CB 3.3Å; F260-M263 WeakPolarHBondContact O-CG 3.46Å; F260-M263 PolarHBondContact O-N 3.41Å; F260-K268 HydrophobicContact CE1-CD 4.4Å; F260-K268 HydrophobicContact CE1-CG 4.27Å; F260-K268 HydrophobicContact CZ-CG 4.14Å; F260-K268 WeakPolarHBondContact O-CE 3.47Å; F260-T271 HydrophobicContact CE2-CG2 4.18Å; F260-C324 WeakPolarHBondContact CE1-O 3.41Å; F260-E326 HydrophobicContact CD2-CG 3.9Å; F260-E326 HydrophobicContact CE2-CG 4.37Å
261	Q	74.7	Confident	79.8	Confident	64 Å²	64	72.7 Å²	72.7	30%	0.299	38%	0.378	S	S	.	.	H	α-helix	trans	-60.4	-41.8	178	-69	175.7	16	0	0	112.6	D257 M263 K268	D257-Q261 WeakPolarHBondContact O-CG 3.15Å; D257-Q261 PolarHBondContact O-N 3Å; D257-Q261 WeakPolarHBondContact OD1-CG 3.44Å; D257-Q261 PolarHBondContact OD1-NE2 3.45Å; Q261-M263 PolarHBondContact O-N 2.91Å; Q261-K268 PolarHBondContact O-NZ 3.39Å
262	N	79.1	Confident	80.6	Confident	138 Å²	138	69.6 Å²	69.6	74%	0.738	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-2.2	179.6	-70	-30.8	0	0	0	114.1	F258 F260	F258-N262 WeakPolarHBondContact O-CB 3.49Å; F258-N262 VanDerWaalsContact O-CG 3.28Å; F258-N262 PolarHBondContact O-N 3.26Å; F258-N262 PolarHBondContact O-ND2 3.31Å; F260-N262 VanDerWaalsContact C-N 3.34Å; F260-N262 PolarHBondContact O-N 3.47Å
263	M	85	Confident	81.3	Confident	49 Å²	49	67.8 Å²	67.8	24%	0.241	35%	0.348	C	S	.	.	S	Bend	trans	-68.4	141.7	172.7	-60	-176.9	85.1	0	0	110.5	S259 F260 Q261 R267 K268	S259-M263 VanDerWaalsContact O-CG 3.28Å; S259-M263 WeakPolarHBondContact O-CG 3.45Å; F260-M263 HydrophobicContact CD2-SD 3.94Å; F260-M263 HydrophobicContact CE2-SD 4.45Å; F260-M263 HydrophobicContact CG-SD 4.5Å; F260-M263 WeakPolarHBondContact O-CB 3.3Å; F260-M263 WeakPolarHBondContact O-CG 3.46Å; F260-M263 PolarHBondContact O-N 3.41Å; Q261-M263 PolarHBondContact O-N 2.91Å; M263-R267 HydrophobicContact CB-CB 4.44Å; M263-R267 HydrophobicContact CE-CB 3.52Å; M263-R267 HydrophobicContact CE-CG 4.26Å; M263-K268 HydrophobicContact CB-CG 3.98Å; M263-K268 VanDerWaalsContact O-CE 3.23Å; M263-K268 WeakPolarHBondContact O-CE 3.4Å; M263-K268 PolarHBondContact O-NZ 3.06Å
264	N	85.9	Confident	81.7	Confident	80 Å²	80	71.2 Å²	71.2	43%	0.428	36%	0.359	S	S	.	.			trans	-63.5	158.7	169.6	68.3	8.9	0	0	0	111.3	K266 R267 K268	N264-K266 VanDerWaalsContact C-N 3.27Å; N264-K266 PolarHBondContact O-N 2.74Å; N264-R267 PolarHBondContact O-N 3.39Å; N264-R267 VanDerWaalsContact OD1-CB 3.28Å; N264-R267 WeakPolarHBondContact OD1-CB 3.4Å; N264-R267 WeakPolarHBondContact OD1-CG 3.27Å; N264-R267 PolarHBondContact OD1-N 3.31Å; N264-K268 PolarHBondContact O-N 3.06Å
265	S	87	Confident	82.1	Confident	7 Å²	7	69.7 Å²	69.7	5%	0.049	35%	0.346	C	S	.	.	H	α-helix	trans	-55.9	-42.2	-176.2	-177.6	0	0	0	0	112.2	R267 K268 A269 Y320 E347 V348	S265-R267 PolarHBondContact O-N 3.22Å; S265-K268 PolarHBondContact O-N 3.45Å; S265-A269 PolarHBondContact O-N 3.34Å; S265-Y320 VanDerWaalsContact O-CE1 3.29Å; S265-Y320 WeakPolarHBondContact O-CE1 3.45Å; S265-Y320 WeakPolarHBondContact OG-CE1 3.2Å; S265-Y320 PolarHBondContact OG-OH 2.87Å; S265-E347 WeakPolarHBondContact CB-OE1 3.49Å; S265-E347 PolarHBondContact N-OE1 2.94Å; S265-V348 WeakPolarHBondContact OG-CG2 3.22Å
266	K	87.1	Confident	82.1	Confident	146 Å²	146	69.7 Å²	69.7	64%	0.635	34%	0.344	S	S	*	.	H	α-helix	trans	-56.9	-47.7	179.1	-173.6	175.6	178.7	177.7	0	112.9	N264 A269 E270	N264-K266 VanDerWaalsContact C-N 3.27Å; N264-K266 PolarHBondContact O-N 2.74Å; K266-A269 PolarHBondContact O-N 2.66Å; K266-E270 VanDerWaalsContact CE-OE1 3.27Å; K266-E270 WeakPolarHBondContact CE-OE1 3.47Å; K266-E270 WeakPolarHBondContact O-CG 3.32Å; K266-E270 PolarHBondContact O-N 3.45Å
267	R	86.5	Confident	81.9	Confident	146 Å²	146	71.3 Å²	71.3	55%	0.551	34%	0.339	S	S	*	.	H	α-helix	trans	-68.9	-34.3	179.6	-72.8	177.6	175.2	-172.5	-0.3	112.4	M263 N264 S265 E270 T271	M263-R267 HydrophobicContact CB-CB 4.44Å; M263-R267 HydrophobicContact CE-CB 3.52Å; M263-R267 HydrophobicContact CE-CG 4.26Å; N264-R267 PolarHBondContact O-N 3.39Å; N264-R267 VanDerWaalsContact OD1-CB 3.28Å; N264-R267 WeakPolarHBondContact OD1-CB 3.4Å; N264-R267 WeakPolarHBondContact OD1-CG 3.27Å; N264-R267 PolarHBondContact OD1-N 3.31Å; S265-R267 PolarHBondContact O-N 3.22Å; R267-E270 PolarHBondContact O-N 2.99Å; R267-T271 PolarHBondContact O-N 2.88Å; R267-T271 PolarHBondContact O-OG1 3.36Å; R267-T271 VanDerWaalsContact O-OG1 3.11Å
268	K	86.9	Confident	81.4	Confident	36 Å²	36	77.2 Å²	77.2	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-61.2	-45.4	173.4	-71.8	177	178.4	162.7	0	110.9	F260 Q261 M263 N264 S265 E270 T271 W272 Y320	F260-K268 HydrophobicContact CE1-CD 4.4Å; F260-K268 HydrophobicContact CE1-CG 4.27Å; F260-K268 HydrophobicContact CZ-CG 4.14Å; F260-K268 WeakPolarHBondContact O-CE 3.47Å; Q261-K268 PolarHBondContact O-NZ 3.39Å; M263-K268 HydrophobicContact CB-CG 3.98Å; M263-K268 VanDerWaalsContact O-CE 3.23Å; M263-K268 WeakPolarHBondContact O-CE 3.4Å; M263-K268 PolarHBondContact O-NZ 3.06Å; N264-K268 PolarHBondContact O-N 3.06Å; S265-K268 PolarHBondContact O-N 3.45Å; K268-E270 PolarHBondContact O-N 3.49Å; K268-T271 PolarHBondContact O-N 3.49Å; K268-W272 VanDerWaalsContact O-CB 3.26Å; K268-W272 WeakPolarHBondContact O-CB 3.41Å; K268-W272 PolarHBondContact O-N 3.37Å; K268-Y320 HydrophobicContact CB-CD1 3.88Å; K268-Y320 HydrophobicContact CB-CD2 4.46Å; K268-Y320 HydrophobicContact CB-CE1 3.64Å; K268-Y320 HydrophobicContact CB-CE2 4.3Å; K268-Y320 HydrophobicContact CB-CG 4.28Å; K268-Y320 HydrophobicContact CD-CE2 4.13Å
269	A	86	Confident	81	Confident	12 Å²	12	72.8 Å²	72.8	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-41.9	175.9	0	0	0	0	0	112.5	S265 K266 W272 K273 Y320	S265-A269 PolarHBondContact O-N 3.34Å; K266-A269 PolarHBondContact O-N 2.66Å; A269-W272 PolarHBondContact O-N 2.97Å; A269-K273 WeakPolarHBondContact O-CB 3.46Å; A269-K273 WeakPolarHBondContact O-CG 3.31Å; A269-K273 PolarHBondContact O-N 3Å; A269-Y320 HydrophobicContact CB-CD1 3.89Å; A269-Y320 HydrophobicContact CB-CE1 4.49Å
270	E	86.8	Confident	80.4	Confident	108 Å²	108	70 Å²	70	51%	0.505	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-47.7	176.6	-72.2	168.4	-176.4	0	0	112	K266 R267 K268 W272 K273 K274	K266-E270 VanDerWaalsContact CE-OE1 3.27Å; K266-E270 WeakPolarHBondContact CE-OE1 3.47Å; K266-E270 WeakPolarHBondContact O-CG 3.32Å; K266-E270 PolarHBondContact O-N 3.45Å; R267-E270 PolarHBondContact O-N 2.99Å; K268-E270 PolarHBondContact O-N 3.49Å; E270-W272 VanDerWaalsContact C-N 3.35Å; E270-W272 PolarHBondContact O-N 2.83Å; E270-K273 PolarHBondContact O-N 3.27Å; E270-K274 WeakPolarHBondContact O-CB 3.41Å; E270-K274 PolarHBondContact O-N 3.22Å
271	T	85.4	Confident	79.6	Confident	38 Å²	38	74 Å²	74	23%	0.233	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-44.1	176.6	-60.3	0	0	0	0	111.4	F260 R267 K268 K274 N275	F260-T271 HydrophobicContact CE2-CG2 4.18Å; R267-T271 PolarHBondContact O-N 2.88Å; R267-T271 PolarHBondContact O-OG1 3.36Å; R267-T271 VanDerWaalsContact O-OG1 3.11Å; K268-T271 PolarHBondContact O-N 3.49Å; T271-K274 PolarHBondContact O-N 3.19Å; T271-N275 PolarHBondContact O-N 3.17Å; T271-N275 PolarHBondContact O-ND2 2.9Å
272	W	83.8	Confident	78.9	Confident	15 Å²	15	73.4 Å²	73.4	6%	0.057	35%	0.349	C	S	.	.	H	α-helix	trans	-57	-54.2	177.2	178.4	-119.7	0	0	0	111.3	K268 A269 E270 K274 N275 R276 L279 D288 Y289 E315 P321 C324	K268-W272 VanDerWaalsContact O-CB 3.26Å; K268-W272 WeakPolarHBondContact O-CB 3.41Å; K268-W272 PolarHBondContact O-N 3.37Å; A269-W272 PolarHBondContact O-N 2.97Å; E270-W272 VanDerWaalsContact C-N 3.35Å; E270-W272 PolarHBondContact O-N 2.83Å; W272-K274 VanDerWaalsContact C-N 3.32Å; W272-K274 PolarHBondContact O-N 3.27Å; W272-N275 PolarHBondContact O-N 3.14Å; W272-N275 VanDerWaalsContact O-N 3.17Å; W272-R276 VanDerWaalsContact CE2-NE 3.33Å; W272-R276 VanDerWaalsContact CH2-NH1 3.33Å; W272-R276 WeakPolarHBondContact O-CB 3.41Å; W272-R276 PolarHBondContact O-N 3.14Å; W272-L279 HydrophobicContact CZ3-CD1 4.18Å; W272-D288 HydrophobicContact CH2-CB 4.34Å; W272-D288 VanDerWaalsContact CH2-OD2 3.28Å; W272-D288 WeakPolarHBondContact CH2-OD2 3.49Å; W272-Y289 WeakPolarHBondContact CZ2-OH 3.45Å; W272-E315 PolarHBondContact NE1-OE1 3.17Å; W272-P321 HydrophobicContact CD2-CG 4.41Å; W272-P321 HydrophobicContact CH2-CG 3.49Å; W272-P321 VanDerWaalsContact CH2-CG 3.49Å; W272-P321 HydrophobicContact CZ2-CG 3.24Å; W272-P321 HydrophobicContact CZ3-CG 4.15Å; W272-C324 HydrophobicContact CD2-CB 4.48Å; W272-C324 HydrophobicContact CE3-CB 3.8Å; W272-C324 HydrophobicContact CZ3-CB 3.88Å
273	K	84.5	Confident	77.3	Confident	53 Å²	53	71 Å²	71	23%	0.23	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-41.5	179.6	-75.4	171.9	-172.2	159.9	0	113	D183 A269 E270 N275 R276	D183-K273 VanDerWaalsContact CA-NZ 3.33Å; D183-K273 WeakPolarHBondContact OD1-CE 3.47Å; D183-K273 IonicContact OD1-NZ 2.64Å; D183-K273 PolarHBondContact OD1-NZ 3.44Å; D183-K273 IonicContact OD2-NZ 3.35Å; A269-K273 WeakPolarHBondContact O-CB 3.46Å; A269-K273 WeakPolarHBondContact O-CG 3.31Å; A269-K273 PolarHBondContact O-N 3Å; E270-K273 PolarHBondContact O-N 3.27Å; K273-N275 VanDerWaalsContact C-N 3.29Å; K273-N275 PolarHBondContact O-N 3.04Å; K273-R276 PolarHBondContact O-N 3.05Å
274	K	83.2	Confident	75.7	Confident	171 Å²	171	72.5 Å²	72.5	74%	0.743	35%	0.351	S	S	*	.	H	α-helix	trans	-60.3	-40.3	179	-174.5	179.4	177	-176.7	0	112	E270 T271 W272	E270-K274 WeakPolarHBondContact O-CB 3.41Å; E270-K274 PolarHBondContact O-N 3.22Å; T271-K274 PolarHBondContact O-N 3.19Å; W272-K274 VanDerWaalsContact C-N 3.32Å; W272-K274 PolarHBondContact O-N 3.27Å
275	N	81.6	Confident	74.5	Confident	56 Å²	56	69.8 Å²	69.8	30%	0.299	34%	0.342	S	S	.	.	H	α-helix	trans	-91.2	-20.1	-175.9	-62.9	-20.7	0	0	0	112.9	T271 W272 K273 R277 Q278 L279	T271-N275 PolarHBondContact O-N 3.17Å; T271-N275 PolarHBondContact O-ND2 2.9Å; W272-N275 PolarHBondContact O-N 3.14Å; W272-N275 VanDerWaalsContact O-N 3.17Å; K273-N275 VanDerWaalsContact C-N 3.29Å; K273-N275 PolarHBondContact O-N 3.04Å; N275-R277 VanDerWaalsContact C-N 3.33Å; N275-R277 PolarHBondContact O-N 3.19Å; N275-Q278 PolarHBondContact O-N 3.33Å; N275-L279 HydrophobicContact CB-CD1 3.83Å; N275-L279 WeakPolarHBondContact O-CD1 3.45Å; N275-L279 WeakPolarHBondContact O-CG 3.26Å; N275-L279 PolarHBondContact O-N 2.68Å
276	R	77.6	Confident	73.5	Confident	13 Å²	13	70.8 Å²	70.8	5%	0.049	35%	0.348	C	S	.	.	H	α-helix	trans	-51.6	-44.9	-171.6	-162.9	73.4	160.7	129	3	114	M176 W272 K273 L279 A280 Y289 E315	M176-R276 HydrophobicContact CE-CB 4.16Å; M176-R276 HydrophobicContact CE-CG 3.48Å; M176-R276 VanDerWaalsContact CE-CG 3.48Å; M176-R276 HydrophobicContact CG-CG 4.28Å; M176-R276 HydrophobicContact SD-CG 3.82Å; W272-R276 VanDerWaalsContact CE2-NE 3.33Å; W272-R276 VanDerWaalsContact CH2-NH1 3.33Å; W272-R276 WeakPolarHBondContact O-CB 3.41Å; W272-R276 PolarHBondContact O-N 3.14Å; K273-R276 PolarHBondContact O-N 3.05Å; R276-L279 WeakPolarHBondContact O-CB 3.34Å; R276-L279 PolarHBondContact O-N 3.19Å; R276-A280 PolarHBondContact O-N 2.88Å; R276-Y289 PolarHBondContact NH1-OH 3.07Å; R276-Y289 PolarHBondContact NH2-OH 3.44Å; R276-E315 IonicContact CZ-OE1 3.11Å; R276-E315 IonicContact NE-OE1 2.92Å; R276-E315 PolarHBondContact NE-OE1 3.26Å; R276-E315 IonicContact NH2-OE1 3.94Å; R276-E315 PolarHBondContact NH2-OE1 3.2Å; R276-E315 IonicContact NH2-OE2 2.68Å; R276-E315 PolarHBondContact NH2-OE2 3.08Å; R276-E315 VanDerWaalsContact NH2-OE2 3.13Å
277	R	71.1	Confident	73.2	Confident	109 Å²	109	63.9 Å²	63.9	41%	0.411	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-43.4	180	-66.1	-177.2	-178.7	-134.6	-8.8	111.9	M176 M180 N275 L279 A280 Y281 D412	M176-R277 HydrophobicContact CE-CG 4.37Å; M180-R277 HydrophobicContact CE-CG 4.3Å; M180-R277 VanDerWaalsContact CE-NH2 3.33Å; M180-R277 HydrophobicContact SD-CG 3.83Å; N275-R277 VanDerWaalsContact C-N 3.33Å; N275-R277 PolarHBondContact O-N 3.19Å; R277-L279 VanDerWaalsContact C-N 3.29Å; R277-L279 PolarHBondContact O-N 3.34Å; R277-A280 PolarHBondContact O-N 3.31Å; R277-Y281 HydrophobicContact CB-CE2 4.36Å; R277-Y281 WeakPolarHBondContact O-CD2 3.43Å; R277-Y281 VanDerWaalsContact O-CE2 3.31Å; R277-Y281 WeakPolarHBondContact O-CE2 3.42Å; R277-Y281 PolarHBondContact O-N 2.92Å; R277-D412 VanDerWaalsContact CZ-CG 3.5Å; R277-D412 IonicContact CZ-OD1 3.7Å; R277-D412 IonicContact CZ-OD2 3.72Å; R277-D412 VanDerWaalsContact CZ-OD2 3.29Å; R277-D412 IonicContact NE-OD2 3.77Å; R277-D412 IonicContact NH1-OD1 3.76Å; R277-D412 PolarHBondContact NH1-OD1 3.03Å; R277-D412 IonicContact NH1-OD2 3.54Å; R277-D412 PolarHBondContact NH1-OD2 3.04Å; R277-D412 IonicContact NH2-OD1 2.77Å; R277-D412 PolarHBondContact NH2-OD1 3.19Å; R277-D412 IonicContact NH2-OD2 2.68Å
278	Q	69.4	Low	73.3	Confident	144 Å²	144	57 Å²	57	67%	0.673	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-36	177.4	-65.4	-177.9	-9	0	0	111.4	N275 Y281 S282	N275-Q278 PolarHBondContact O-N 3.33Å; Q278-Y281 PolarHBondContact O-N 3.45Å; Q278-S282 PolarHBondContact O-N 3.19Å
279	L	66.9	Low	73.5	Confident	43 Å²	43	55.9 Å²	55.9	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-39.8	176.6	-72.9	151.5	0	0	0	112.1	W272 N275 R276 R277 Y281 S282 T286	W272-L279 HydrophobicContact CZ3-CD1 4.18Å; N275-L279 HydrophobicContact CB-CD1 3.83Å; N275-L279 WeakPolarHBondContact O-CD1 3.45Å; N275-L279 WeakPolarHBondContact O-CG 3.26Å; N275-L279 PolarHBondContact O-N 2.68Å; R276-L279 WeakPolarHBondContact O-CB 3.34Å; R276-L279 PolarHBondContact O-N 3.19Å; R277-L279 VanDerWaalsContact C-N 3.29Å; R277-L279 PolarHBondContact O-N 3.34Å; L279-Y281 VanDerWaalsContact C-N 3.3Å; L279-Y281 PolarHBondContact O-N 3.33Å; L279-S282 WeakPolarHBondContact O-CB 3.11Å; L279-S282 PolarHBondContact O-N 2.86Å; L279-T286 HydrophobicContact CD2-CG2 3.52Å; L279-T286 WeakPolarHBondContact CD2-OG1 3.2Å
280	A	62	Low	73.7	Confident	35 Å²	35	57.2 Å²	57.2	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-33.6	176.8	0	0	0	0	0	113.2	M176 R276 R277	M176-A280 HydrophobicContact CE-CB 3.89Å; M176-A280 HydrophobicContact SD-CB 4.06Å; R276-A280 PolarHBondContact O-N 2.88Å; R277-A280 PolarHBondContact O-N 3.31Å
281	Y	60.7	Low	73.9	Confident	92 Å²	92	52.1 Å²	52.1	36%	0.361	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.5	177.9	-52.1	-48.2	0	0	0	114.1	R98 R277 Q278 L279 F414	R98-Y281 HydrophobicContact CB-CD1 4.36Å; R98-Y281 HydrophobicContact CB-CE1 4.47Å; R98-Y281 WeakPolarHBondContact O-CD1 3.46Å; R277-Y281 HydrophobicContact CB-CE2 4.36Å; R277-Y281 WeakPolarHBondContact O-CD2 3.43Å; R277-Y281 VanDerWaalsContact O-CE2 3.31Å; R277-Y281 WeakPolarHBondContact O-CE2 3.42Å; R277-Y281 PolarHBondContact O-N 2.92Å; Q278-Y281 PolarHBondContact O-N 3.45Å; L279-Y281 VanDerWaalsContact C-N 3.3Å; L279-Y281 PolarHBondContact O-N 3.33Å; Y281-F414 AromaticContact CE1-CE1 3.53Å; Y281-F414 HydrophobicContact CE1-CE1 3.53Å; Y281-F414 AromaticContact CE1-CZ 3.93Å; Y281-F414 HydrophobicContact CE1-CZ 3.93Å; Y281-F414 HydrophobicContact CE2-CE1 4.41Å; Y281-F414 AromaticContact CZ-CE1 3.44Å; Y281-F414 VanDerWaalsContact CZ-CE1 3.44Å; Y281-F414 AromaticContact CZ-CZ 3.86Å; Y281-F414 WeakPolarHBondContact OH-CE1 3.14Å; Y281-F414 WeakPolarHBondContact OH-CZ 3.14Å
282	S	59.8	Low	74.2	Confident	51 Å²	51	50.8 Å²	50.8	36%	0.357	26%	0.26	S	S	.	.			trans	-74.2	136.5	-179.2	178.7	0	0	0	0	111.3	Q278 L279 V284 G285	Q278-S282 PolarHBondContact O-N 3.19Å; L279-S282 WeakPolarHBondContact O-CB 3.11Å; L279-S282 PolarHBondContact O-N 2.86Å; S282-V284 VanDerWaalsContact C-N 3.26Å; S282-V284 PolarHBondContact O-N 3.18Å; S282-V284 PolarHBondContact OG-N 3.39Å; S282-G285 PolarHBondContact OG-N 3.36Å
283	T	46.8	Very low	74.5	Confident	88 Å²	88	50.9 Å²	50.9	54%	0.54	26%	0.261	S	S	.	.	S	Bend	trans	-69	-25.4	174	48.3	0	0	0	0	113.1	A100	A100-T283 HydrophobicContact CB-CG2 3.94Å
284	V	50.8	Low	74.6	Confident	79 Å²	79	50 Å²	50	48%	0.479	26%	0.26	S	S	.	.	S	Bend	trans	-87.4	-30.2	-178.2	-176.2	0	0	0	0	110.8	S282	S282-V284 VanDerWaalsContact C-N 3.26Å; S282-V284 PolarHBondContact O-N 3.18Å; S282-V284 PolarHBondContact OG-N 3.39Å
285	G	60.6	Low	74.4	Confident	23 Å²	23	42.6 Å²	42.6	24%	0.237	23%	0.228	C	C	.	.			trans	57.7	-176.2	-172.9	0	0	0	0	0	113.1	S282	S282-G285 PolarHBondContact OG-N 3.36Å
286	T	66	Low	74.2	Confident	29 Å²	29	43.2 Å²	43.2	18%	0.178	23%	0.231	C	C	.	.			trans	-116.5	145.5	163.8	31.6	0	0	0	0	110.4	L279 D288 P328	L279-T286 HydrophobicContact CD2-CG2 3.52Å; L279-T286 WeakPolarHBondContact CD2-OG1 3.2Å; T286-D288 WeakPolarHBondContact CB-OD2 3.38Å; T286-D288 PolarHBondContact O-N 3Å; T286-D288 PolarHBondContact OG1-OD2 3.22Å; T286-P328 HydrophobicContact CG2-CB 4.26Å; T286-P328 HydrophobicContact CG2-CG 3.88Å
287	P	81.8	Confident	73.7	Confident	1 Å²	1	49 Å²	49	1%	0.006	26%	0.259	C	S	.	.			trans	-77.4	22.5	-176.4	30.7	-33.3	0	0	0	114	Y247 Y289 I290 F295 T331	Y247-P287 WeakPolarHBondContact OH-CG 3.4Å; P287-Y289 VanDerWaalsContact C-N 3.25Å; P287-Y289 PolarHBondContact O-N 3.08Å; P287-Y289 VanDerWaalsContact O-N 3.15Å; P287-I290 HydrophobicContact CB-CB 4.39Å; P287-I290 HydrophobicContact CB-CD1 4.02Å; P287-I290 HydrophobicContact CB-CG1 4.38Å; P287-I290 PolarHBondContact O-N 3.41Å; P287-F295 HydrophobicContact CB-CE1 4.33Å; P287-F295 HydrophobicContact CB-CE2 4.41Å; P287-F295 HydrophobicContact CB-CZ 3.56Å; P287-T331 HydrophobicContact CG-CG2 3.74Å
288	D	87.1	Confident	73.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.9	-168	-60.4	-68.3	0	0	0	113.6	W272 T286 V311 P321 C324 T331	W272-D288 HydrophobicContact CH2-CB 4.34Å; W272-D288 VanDerWaalsContact CH2-OD2 3.28Å; W272-D288 WeakPolarHBondContact CH2-OD2 3.49Å; T286-D288 WeakPolarHBondContact CB-OD2 3.38Å; T286-D288 PolarHBondContact O-N 3Å; T286-D288 PolarHBondContact OG1-OD2 3.22Å; D288-V311 VanDerWaalsContact O-CG1 3.29Å; D288-V311 WeakPolarHBondContact O-CG1 3.15Å; D288-P321 HydrophobicContact CB-CB 4.25Å; D288-P321 HydrophobicContact CB-CG 3.91Å; D288-C324 VanDerWaalsContact OD1-CA 3.31Å; D288-C324 WeakPolarHBondContact OD1-CA 3.08Å; D288-T331 HydrophobicContact CB-CG2 4.4Å; D288-T331 WeakPolarHBondContact OD1-CG2 3.49Å; D288-T331 PolarHBondContact OD1-OG1 2.9Å
289	Y	92.3	Very high	73.6	Confident	14 Å²	14	43.7 Å²	43.7	6%	0.055	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-6.5	-179	-52.6	-84.9	0	0	0	113.2	I214 K215 P216 W272 R276 P287 S308 V311 I312 E315 P321	I214-Y289 WeakPolarHBondContact O-CB 3.48Å; K215-Y289 HydrophobicContact CB-CD1 4.28Å; K215-Y289 HydrophobicContact CB-CD2 3.73Å; K215-Y289 HydrophobicContact CB-CE2 4.11Å; K215-Y289 HydrophobicContact CB-CG 3.88Å; P216-Y289 HydrophobicContact CG-CE1 4.29Å; W272-Y289 WeakPolarHBondContact CZ2-OH 3.45Å; R276-Y289 PolarHBondContact NH1-OH 3.07Å; R276-Y289 PolarHBondContact NH2-OH 3.44Å; P287-Y289 VanDerWaalsContact C-N 3.25Å; P287-Y289 PolarHBondContact O-N 3.08Å; P287-Y289 VanDerWaalsContact O-N 3.15Å; Y289-S308 WeakPolarHBondContact O-CA 3.39Å; Y289-S308 WeakPolarHBondContact O-CB 3.32Å; Y289-S308 PolarHBondContact O-OG 3.01Å; Y289-V311 HydrophobicContact CD1-CB 3.95Å; Y289-V311 HydrophobicContact CD1-CG1 3.41Å; Y289-V311 VanDerWaalsContact CD1-CG1 3.41Å; Y289-V311 HydrophobicContact CE1-CB 4.44Å; Y289-V311 HydrophobicContact CE1-CG1 3.6Å; Y289-V311 HydrophobicContact CG-CG1 4.17Å; Y289-I312 HydrophobicContact CD1-CG1 3.87Å; Y289-I312 HydrophobicContact CE1-CG1 3.92Å; Y289-E315 WeakPolarHBondContact CE1-OE2 3.34Å; Y289-E315 PolarHBondContact OH-OE2 3.03Å; Y289-P321 HydrophobicContact CE1-CB 4.41Å
290	I	89.6	Confident	74.2	Confident	40 Å²	40	43.5 Å²	43.5	21%	0.205	25%	0.25	C	C	.	.			trans	-80.3	128.2	-171.6	-58.2	-178.1	0	0	0	109.6	P287 V294 F295 W307 V335	P287-I290 HydrophobicContact CB-CB 4.39Å; P287-I290 HydrophobicContact CB-CD1 4.02Å; P287-I290 HydrophobicContact CB-CG1 4.38Å; P287-I290 PolarHBondContact O-N 3.41Å; I290-V294 HydrophobicContact CG2-CB 3.63Å; I290-V294 HydrophobicContact CG2-CG1 3.76Å; I290-V294 HydrophobicContact CG2-CG2 4.14Å; I290-F295 HydrophobicContact CB-CE2 3.87Å; I290-F295 HydrophobicContact CB-CZ 3.69Å; I290-F295 HydrophobicContact CD1-CZ 4.1Å; I290-F295 HydrophobicContact CG1-CZ 4.47Å; I290-F295 HydrophobicContact CG2-CD2 4.31Å; I290-F295 HydrophobicContact CG2-CE1 4.18Å; I290-F295 HydrophobicContact CG2-CE2 3.48Å; I290-F295 VanDerWaalsContact CG2-CE2 3.48Å; I290-F295 HydrophobicContact CG2-CZ 3.4Å; I290-W307 PolarHBondContact O-NE1 3.4Å; I290-V335 WeakPolarHBondContact O-CG1 3.49Å
291	A	91.6	Very high	75.5	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.008	25%	0.254	C	S	.	.			trans	-64.9	145	177	0	0	0	0	0	112.2	E293 V294 C304 W307	A291-E293 VanDerWaalsContact C-N 3.26Å; A291-E293 WeakPolarHBondContact CB-OE1 3.43Å; A291-E293 WeakPolarHBondContact CB-OE2 3.37Å; A291-E293 PolarHBondContact O-N 3.07Å; A291-V294 HydrophobicContact CB-CG2 4.16Å; A291-V294 WeakPolarHBondContact O-CB 3.39Å; A291-V294 PolarHBondContact O-N 2.81Å; A291-C304 HydrophobicContact CB-CB 3.8Å; A291-W307 VanDerWaalsContact CA-CD1 3.44Å; A291-W307 HydrophobicContact CB-CB 3.62Å; A291-W307 HydrophobicContact CB-CD2 4.16Å; A291-W307 HydrophobicContact CB-CG 3.58Å
292	P	92	Very high	76.9	Confident	10 Å²	10	45.1 Å²	45.1	7%	0.065	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-38.1	-176.2	22.3	-33	0	0	0	112.4	V294 F295 L296 W307 V335 M336	P292-V294 PolarHBondContact O-N 3.41Å; P292-F295 WeakPolarHBondContact O-CB 3.41Å; P292-F295 PolarHBondContact O-N 2.5Å; P292-L296 PolarHBondContact O-N 3.13Å; P292-W307 HydrophobicContact CG-CE3 4.33Å; P292-W307 HydrophobicContact CG-CH2 4Å; P292-W307 HydrophobicContact CG-CZ2 4.36Å; P292-W307 HydrophobicContact CG-CZ3 3.97Å; P292-V335 HydrophobicContact CB-CG1 4.15Å; P292-M336 HydrophobicContact CB-SD 4.12Å
293	E	89.8	Confident	78.5	Confident	17 Å²	17	43.1 Å²	43.1	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-18.7	179.6	69.2	-86.9	-164.9	0	0	114.4	A291 F295 L296 A365 R368	A291-E293 VanDerWaalsContact C-N 3.26Å; A291-E293 WeakPolarHBondContact CB-OE1 3.43Å; A291-E293 WeakPolarHBondContact CB-OE2 3.37Å; A291-E293 PolarHBondContact O-N 3.07Å; E293-F295 PolarHBondContact O-N 2.82Å; E293-L296 PolarHBondContact O-N 2.66Å; E293-L296 VanDerWaalsContact O-N 3.15Å; E293-L296 VanDerWaalsContact O-O 3.12Å; E293-A365 HydrophobicContact CG-CB 4.39Å; E293-R368 IonicContact OE1-CZ 3.2Å; E293-R368 IonicContact OE1-NH1 3.97Å; E293-R368 PolarHBondContact OE1-NH1 3.06Å; E293-R368 IonicContact OE1-NH2 3.58Å; E293-R368 PolarHBondContact OE1-NH2 3.4Å; E293-R368 IonicContact OE2-CZ 3.74Å; E293-R368 IonicContact OE2-NH1 2.83Å; E293-R368 IonicContact OE2-NH2 3.29Å; E293-R368 PolarHBondContact OE2-NH2 3.3Å
294	V	85.2	Confident	80.7	Confident	34 Å²	34	39.1 Å²	39.1	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-68.9	-27.8	174.8	178.3	0	0	0	0	110.6	I290 A291 P292 Y300 C304	I290-V294 HydrophobicContact CG2-CB 3.63Å; I290-V294 HydrophobicContact CG2-CG1 3.76Å; I290-V294 HydrophobicContact CG2-CG2 4.14Å; A291-V294 HydrophobicContact CB-CG2 4.16Å; A291-V294 WeakPolarHBondContact O-CB 3.39Å; A291-V294 PolarHBondContact O-N 2.81Å; P292-V294 PolarHBondContact O-N 3.41Å; V294-Y300 HydrophobicContact CB-CD1 4.33Å; V294-Y300 HydrophobicContact CG1-CD1 4.35Å; V294-Y300 HydrophobicContact CG1-CE1 4.12Å; V294-Y300 HydrophobicContact CG2-CD1 4.14Å; V294-Y300 HydrophobicContact CG2-CD2 4.12Å; V294-Y300 HydrophobicContact CG2-CE1 4.48Å; V294-Y300 HydrophobicContact CG2-CE2 4.47Å; V294-Y300 HydrophobicContact CG2-CG 3.95Å; V294-C304 HydrophobicContact CG2-CB 3.82Å
295	F	80.5	Confident	82.8	Confident	16 Å²	16	35.4 Å²	35.4	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-82.2	-19.5	173	-57.4	-69.5	0	0	0	112.9	T244 Y247 P287 I290 P292 E293 Y332 V335 M336	T244-F295 WeakPolarHBondContact CG2-O 3.5Å; Y247-F295 AromaticContact CD2-CD1 3.9Å; Y247-F295 HydrophobicContact CD2-CD1 3.9Å; Y247-F295 AromaticContact CD2-CE1 3.73Å; Y247-F295 HydrophobicContact CD2-CE1 3.73Å; Y247-F295 HydrophobicContact CE2-CD1 4.35Å; Y247-F295 AromaticContact CE2-CE1 3.72Å; Y247-F295 HydrophobicContact CE2-CE1 3.72Å; Y247-F295 HydrophobicContact CG-CD1 4.41Å; Y247-F295 HydrophobicContact CG-CE1 4.47Å; P287-F295 HydrophobicContact CB-CE1 4.33Å; P287-F295 HydrophobicContact CB-CE2 4.41Å; P287-F295 HydrophobicContact CB-CZ 3.56Å; I290-F295 HydrophobicContact CB-CE2 3.87Å; I290-F295 HydrophobicContact CB-CZ 3.69Å; I290-F295 HydrophobicContact CD1-CZ 4.1Å; I290-F295 HydrophobicContact CG1-CZ 4.47Å; I290-F295 HydrophobicContact CG2-CD2 4.31Å; I290-F295 HydrophobicContact CG2-CE1 4.18Å; I290-F295 HydrophobicContact CG2-CE2 3.48Å; I290-F295 VanDerWaalsContact CG2-CE2 3.48Å; I290-F295 HydrophobicContact CG2-CZ 3.4Å; P292-F295 WeakPolarHBondContact O-CB 3.41Å; P292-F295 PolarHBondContact O-N 2.5Å; E293-F295 PolarHBondContact O-N 2.82Å; F295-Y332 HydrophobicContact CB-CE2 3.84Å; F295-Y332 AromaticContact CD1-CD2 3.96Å; F295-Y332 HydrophobicContact CD1-CD2 3.96Å; F295-Y332 AromaticContact CD1-CE2 3.84Å; F295-Y332 HydrophobicContact CD1-CE2 3.84Å; F295-Y332 HydrophobicContact CD2-CD2 4.17Å; F295-Y332 HydrophobicContact CD2-CE2 4.14Å; F295-Y332 HydrophobicContact CE1-CD2 4.15Å; F295-Y332 HydrophobicContact CE1-CE2 4.48Å; F295-Y332 HydrophobicContact CE2-CD2 4.35Å; F295-Y332 AromaticContact CG-CD2 3.98Å; F295-Y332 HydrophobicContact CG-CD2 3.98Å; F295-Y332 AromaticContact CG-CE2 3.65Å; F295-Y332 HydrophobicContact CG-CE2 3.65Å; F295-Y332 HydrophobicContact CZ-CD2 4.35Å; F295-V335 HydrophobicContact CD2-CG1 4.48Å; F295-V335 HydrophobicContact CE2-CG1 4.13Å; F295-M336 HydrophobicContact CB-SD 4.13Å; F295-M336 HydrophobicContact CD2-SD 4.18Å
296	L	76.8	Confident	84.6	Confident	69 Å²	69	34.5 Å²	34.5	36%	0.361	18%	0.183	S	C	.	.	S	Bend	trans	-82.6	124.2	179	-59.8	178	0	0	0	109.4	P292 E293 T298 G299 M336	P292-L296 PolarHBondContact O-N 3.13Å; E293-L296 PolarHBondContact O-N 2.66Å; E293-L296 VanDerWaalsContact O-N 3.15Å; E293-L296 VanDerWaalsContact O-O 3.12Å; L296-T298 WeakPolarHBondContact CB-OG1 2.99Å; L296-T298 PolarHBondContact O-N 2.78Å; L296-G299 PolarHBondContact O-N 3.36Å; L296-M336 HydrophobicContact CD2-CE 3.64Å; L296-M336 HydrophobicContact CG-CE 4.18Å
297	Q	67.7	Low	86.1	Confident	135 Å²	135	33.1 Å²	33.1	63%	0.631	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-1.2	-179.8	-64.4	-177.2	2	0	0	113.6	K240 T244 G299	K240-Q297 PolarHBondContact NZ-O 3.5Å; T244-Q297 HydrophobicContact CG2-CG 4.26Å; Q297-G299 PolarHBondContact O-N 3.05Å
298	T	69.6	Low	86.8	Confident	115 Å²	115	33.3 Å²	33.3	71%	0.706	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.4	172.7	51.3	0	0	0	0	112	K240 L296	K240-T298 PolarHBondContact NZ-O 2.68Å; L296-T298 WeakPolarHBondContact CB-OG1 2.99Å; L296-T298 PolarHBondContact O-N 2.78Å
299	G	68.8	Low	87.3	Confident	25 Å²	25	33.3 Å²	33.3	26%	0.258	18%	0.176	S	C	.	.			trans	97.4	157.2	-175.6	0	0	0	0	0	111.2	L296 Q297	L296-G299 PolarHBondContact O-N 3.36Å; Q297-G299 PolarHBondContact O-N 3.05Å
300	Y	79.7	Confident	87.6	Confident	40 Å²	40	32.7 Å²	32.7	16%	0.157	17%	0.174	C	C	.	.			trans	-134.3	165.9	-178.7	65.2	-89.8	0	0	0	109.9	R212 A241 V294 C304	R212-Y300 VanDerWaalsContact CD-OH 3.23Å; R212-Y300 WeakPolarHBondContact CD-OH 3.38Å; R212-Y300 HydrophobicContact CG-CE2 4.1Å; R212-Y300 PolarHBondContact NE-OH 2.73Å; R212-Y300 VanDerWaalsContact NE-OH 3.11Å; R212-Y300 PolarHBondContact NH1-OH 2.72Å; R212-Y300 VanDerWaalsContact NH1-OH 3.08Å; A241-Y300 HydrophobicContact CB-CE1 4.35Å; A241-Y300 WeakPolarHBondContact CB-OH 3.21Å; V294-Y300 HydrophobicContact CB-CD1 4.33Å; V294-Y300 HydrophobicContact CG1-CD1 4.35Å; V294-Y300 HydrophobicContact CG1-CE1 4.12Å; V294-Y300 HydrophobicContact CG2-CD1 4.14Å; V294-Y300 HydrophobicContact CG2-CD2 4.12Å; V294-Y300 HydrophobicContact CG2-CE1 4.48Å; V294-Y300 HydrophobicContact CG2-CE2 4.47Å; V294-Y300 HydrophobicContact CG2-CG 3.95Å; Y300-C304 HydrophobicContact CD2-CB 4.3Å
301	N	87.9	Confident	88	Confident	72 Å²	72	30.8 Å²	30.8	39%	0.385	16%	0.164	S	C	.	.			trans	-126.8	-168.4	-177.7	63.6	20	0	0	0	110.2	L303 C304	N301-L303 PolarHBondContact O-N 3.18Å; N301-L303 WeakPolarHBondContact OD1-CB 3.39Å; N301-L303 WeakPolarHBondContact OD1-CG 3.22Å; N301-L303 PolarHBondContact OD1-N 2.83Å; N301-C304 PolarHBondContact O-N 3.02Å; N301-C304 PolarHBondContact O-SG 3.44Å
302	K	90.6	Very high	88.4	Confident	89 Å²	89	30.7 Å²	30.7	39%	0.387	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.8	-178.6	71.1	179.1	-174.5	165.5	0	114.5	H205 I210 C304 D305	H205-K302 HydrophobicContact CB-CD 4.19Å; H205-K302 PolarHBondContact CE1-O 3.44Å; I210-K302 HydrophobicContact CD1-CB 4.16Å; I210-K302 HydrophobicContact CG1-CB 3.88Å; K302-C304 PolarHBondContact O-N 3.22Å; K302-D305 PolarHBondContact O-N 3.26Å
303	L	93.7	Very high	88.7	Confident	9 Å²	9	30.2 Å²	30.2	5%	0.047	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.8	-176.7	-52.2	177.6	0	0	0	113.1	N301 D305 W306 W307 A365 R368 G370 A371	N301-L303 PolarHBondContact O-N 3.18Å; N301-L303 WeakPolarHBondContact OD1-CB 3.39Å; N301-L303 WeakPolarHBondContact OD1-CG 3.22Å; N301-L303 PolarHBondContact OD1-N 2.83Å; L303-D305 PolarHBondContact O-N 3.19Å; L303-W306 WeakPolarHBondContact O-CB 2.81Å; L303-W306 PolarHBondContact O-N 3.36Å; L303-W306 VanDerWaalsContact O-N 3.12Å; L303-W307 PolarHBondContact O-N 3.21Å; L303-A365 WeakPolarHBondContact CD1-O 3.31Å; L303-R368 WeakPolarHBondContact O-CD 3.36Å; L303-R368 PolarHBondContact O-NH1 3.44Å; L303-G370 VanDerWaalsContact CD2-O 3.28Å; L303-G370 WeakPolarHBondContact CD2-O 2.98Å; L303-A371 HydrophobicContact CD1-CB 3.84Å
304	C	93	Very high	89.1	Confident	4 Å²	4	29.7 Å²	29.7	3%	0.027	16%	0.158	C	C	.	.	H	α-helix	trans	-63.3	-28.3	175.7	65.1	0	0	0	0	112.7	A291 V294 Y300 N301 K302 W306 W307 S308	A291-C304 HydrophobicContact CB-CB 3.8Å; V294-C304 HydrophobicContact CG2-CB 3.82Å; Y300-C304 HydrophobicContact CD2-CB 4.3Å; N301-C304 PolarHBondContact O-N 3.02Å; N301-C304 PolarHBondContact O-SG 3.44Å; K302-C304 PolarHBondContact O-N 3.22Å; C304-W306 VanDerWaalsContact C-N 3.29Å; C304-W306 PolarHBondContact O-N 2.83Å; C304-W307 WeakPolarHBondContact O-CB 3.22Å; C304-W307 PolarHBondContact O-N 3.25Å; C304-S308 PolarHBondContact O-N 3.47Å; C304-S308 PolarHBondContact O-OG 3.12Å
305	D	95	Very high	89.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68	-32.5	175.5	-66.9	-23.8	0	0	0	111	I201 H205 I210 H211 R212 I214 K302 L303 S308 L309	I201-D305 HydrophobicContact CG2-CB 3.85Å; H205-D305 IonicContact CD2-OD2 2.93Å; H205-D305 IonicContact CE1-OD2 3.28Å; H205-D305 IonicContact NE2-OD2 2.84Å; H205-D305 PolarHBondContact NE2-OD2 2.99Å; I210-D305 WeakPolarHBondContact CG2-OD2 3.29Å; H211-D305 PolarHBondContact N-OD2 3.34Å; R212-D305 WeakPolarHBondContact CA-OD1 3.18Å; R212-D305 PolarHBondContact N-OD1 2.68Å; I214-D305 HydrophobicContact CG1-CB 4.05Å; K302-D305 PolarHBondContact O-N 3.26Å; L303-D305 PolarHBondContact O-N 3.19Å; D305-S308 WeakPolarHBondContact O-CB 3.41Å; D305-S308 PolarHBondContact O-N 2.86Å; D305-L309 PolarHBondContact O-N 3.31Å
306	W	97.4	Very high	90.5	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-71.7	-33.9	176.5	-54.9	141.7	0	0	0	113.4	I201 D202 H205 L303 C304 S308 L309 G310 Y361 R368 M377	I201-W306 HydrophobicContact CB-CE3 4.38Å; I201-W306 HydrophobicContact CB-CH2 3.59Å; I201-W306 HydrophobicContact CB-CZ3 3.49Å; I201-W306 VanDerWaalsContact CB-CZ3 3.49Å; I201-W306 HydrophobicContact CD1-CE3 4.15Å; I201-W306 HydrophobicContact CD1-CZ3 3.87Å; I201-W306 HydrophobicContact CG1-CZ3 4.27Å; I201-W306 HydrophobicContact CG2-CD2 4.41Å; I201-W306 HydrophobicContact CG2-CE3 3.95Å; I201-W306 HydrophobicContact CG2-CH2 3.35Å; I201-W306 HydrophobicContact CG2-CZ2 3.87Å; I201-W306 HydrophobicContact CG2-CZ3 3.4Å; I201-W306 VanDerWaalsContact CG2-CZ3 3.4Å; D202-W306 HydrophobicContact CB-CH2 4.4Å; H205-W306 AromaticContact CE1-CE2 3.91Å; H205-W306 AromaticContact CE1-CZ2 3.9Å; H205-W306 AromaticContact ND1-CZ2 3.72Å; L303-W306 WeakPolarHBondContact O-CB 2.81Å; L303-W306 PolarHBondContact O-N 3.36Å; L303-W306 VanDerWaalsContact O-N 3.12Å; C304-W306 VanDerWaalsContact C-N 3.29Å; C304-W306 PolarHBondContact O-N 2.83Å; W306-S308 VanDerWaalsContact C-N 3.33Å; W306-L309 HydrophobicContact CE3-CD2 4.04Å; W306-L309 HydrophobicContact CZ3-CD2 4.16Å; W306-L309 PolarHBondContact O-N 2.88Å; W306-G310 PolarHBondContact O-N 3.37Å; W306-G310 VanDerWaalsContact O-N 3.14Å; W306-Y361 HydrophobicContact CB-CD1 4.14Å; W306-Y361 HydrophobicContact CB-CE1 4.41Å; W306-Y361 VanDerWaalsContact O-CD1 3.22Å; W306-Y361 WeakPolarHBondContact O-CD1 3.35Å; W306-R368 HydrophobicContact CB-CG 4.48Å; W306-M377 HydrophobicContact CB-CE 3.91Å; W306-M377 HydrophobicContact CD2-CE 3.22Å; W306-M377 HydrophobicContact CD2-SD 4.16Å; W306-M377 VanDerWaalsContact CE2-CE 3.49Å; W306-M377 HydrophobicContact CE3-CE 3.65Å; W306-M377 HydrophobicContact CE3-SD 4.01Å; W306-M377 HydrophobicContact CG-CE 3.33Å; W306-M377 HydrophobicContact CH2-CE 4.46Å; W306-M377 HydrophobicContact CH2-SD 4.37Å; W306-M377 HydrophobicContact CZ2-CE 4.13Å; W306-M377 HydrophobicContact CZ3-CE 4.24Å; W306-M377 HydrophobicContact CZ3-SD 4.11Å
307	W	97.6	Very high	91.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.7	-49.2	169	174	-80.9	0	0	0	110.6	I290 A291 P292 L303 C304 L309 G310 V311 F323 V335 W338 C362	I290-W307 PolarHBondContact O-NE1 3.4Å; A291-W307 VanDerWaalsContact CA-CD1 3.44Å; A291-W307 HydrophobicContact CB-CB 3.62Å; A291-W307 HydrophobicContact CB-CD2 4.16Å; A291-W307 HydrophobicContact CB-CG 3.58Å; P292-W307 HydrophobicContact CG-CE3 4.33Å; P292-W307 HydrophobicContact CG-CH2 4Å; P292-W307 HydrophobicContact CG-CZ2 4.36Å; P292-W307 HydrophobicContact CG-CZ3 3.97Å; L303-W307 PolarHBondContact O-N 3.21Å; C304-W307 WeakPolarHBondContact O-CB 3.22Å; C304-W307 PolarHBondContact O-N 3.25Å; W307-L309 PolarHBondContact O-N 3.4Å; W307-G310 WeakPolarHBondContact O-CA 3.39Å; W307-G310 PolarHBondContact O-N 3.42Å; W307-V311 WeakPolarHBondContact O-CG2 3.32Å; W307-V311 PolarHBondContact O-N 3.39Å; W307-F323 HydrophobicContact CH2-CE2 4.38Å; W307-F323 HydrophobicContact CH2-CZ 4.18Å; W307-F323 HydrophobicContact CZ2-CD2 4.47Å; W307-F323 AromaticContact CZ2-CE2 3.47Å; W307-F323 HydrophobicContact CZ2-CE2 3.47Å; W307-F323 VanDerWaalsContact CZ2-CE2 3.47Å; W307-F323 AromaticContact CZ2-CZ 3.7Å; W307-F323 HydrophobicContact CZ2-CZ 3.7Å; W307-V335 HydrophobicContact CZ2-CG1 4.47Å; W307-W338 HydrophobicContact CH2-CB 3.69Å; W307-W338 AromaticContact CH2-CD1 3.77Å; W307-W338 AromaticContact CH2-CD2 3.96Å; W307-W338 HydrophobicContact CH2-CD2 3.96Å; W307-W338 AromaticContact CH2-CG 3.53Å; W307-W338 HydrophobicContact CH2-CG 3.53Å; W307-W338 HydrophobicContact CZ2-CB 4.3Å; W307-W338 HydrophobicContact CZ3-CD2 4.26Å; W307-W338 HydrophobicContact CZ3-CG 4.23Å; W307-C362 VanDerWaalsContact CE3-CA 3.49Å; W307-C362 HydrophobicContact CE3-CB 4.2Å; W307-C362 HydrophobicContact CH2-CB 4.14Å; W307-C362 HydrophobicContact CZ2-CB 4.5Å; W307-C362 VanDerWaalsContact CZ3-CA 3.5Å; W307-C362 HydrophobicContact CZ3-CB 4Å
308	S	96.8	Very high	93	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-57.2	-40.5	179.8	-49.5	0	0	0	0	111.1	I214 Y289 C304 D305 W306 G310 V311 I312	I214-S308 WeakPolarHBondContact O-CB 3.37Å; Y289-S308 WeakPolarHBondContact O-CA 3.39Å; Y289-S308 WeakPolarHBondContact O-CB 3.32Å; Y289-S308 PolarHBondContact O-OG 3.01Å; C304-S308 PolarHBondContact O-N 3.47Å; C304-S308 PolarHBondContact O-OG 3.12Å; D305-S308 WeakPolarHBondContact O-CB 3.41Å; D305-S308 PolarHBondContact O-N 2.86Å; W306-S308 VanDerWaalsContact C-N 3.33Å; S308-G310 PolarHBondContact O-N 2.98Å; S308-V311 WeakPolarHBondContact O-CB 3.42Å; S308-V311 PolarHBondContact O-N 3.16Å; S308-I312 WeakPolarHBondContact O-CG1 3.42Å; S308-I312 PolarHBondContact O-N 3.24Å
309	L	98.3	Very high	94.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.2	-39.1	175.2	-173.4	59.8	0	0	0	113	I194 T197 V198 I201 D305 W306 W307 I312 M313 Y361	I194-L309 HydrophobicContact CD1-CD1 3.6Å; I194-L309 HydrophobicContact CD1-CG 4.29Å; I194-L309 HydrophobicContact CG2-CD1 4.3Å; I194-L309 HydrophobicContact CG2-CD2 4.21Å; I194-L309 HydrophobicContact CG2-CG 4.23Å; T197-L309 HydrophobicContact CG2-CD1 3.57Å; V198-L309 HydrophobicContact CG2-CD2 3.53Å; I201-L309 HydrophobicContact CD1-CB 4.43Å; I201-L309 HydrophobicContact CD1-CD2 4.37Å; D305-L309 PolarHBondContact O-N 3.31Å; W306-L309 HydrophobicContact CE3-CD2 4.04Å; W306-L309 HydrophobicContact CZ3-CD2 4.16Å; W306-L309 PolarHBondContact O-N 2.88Å; W307-L309 PolarHBondContact O-N 3.4Å; L309-I312 PolarHBondContact O-N 3.35Å; L309-M313 PolarHBondContact O-N 3.08Å; L309-Y361 HydrophobicContact CD2-CE1 4.14Å
310	G	98.4	Very high	95.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.8	-40.4	173.2	0	0	0	0	0	113.2	W306 W307 S308 M313 Y314 Y361	W306-G310 PolarHBondContact O-N 3.37Å; W306-G310 VanDerWaalsContact O-N 3.14Å; W307-G310 WeakPolarHBondContact O-CA 3.39Å; W307-G310 PolarHBondContact O-N 3.42Å; S308-G310 PolarHBondContact O-N 2.98Å; G310-M313 PolarHBondContact O-N 3.19Å; G310-Y314 PolarHBondContact O-N 2.74Å; G310-Y361 VanDerWaalsContact CA-CB 3.47Å
311	V	98.4	Very high	96.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.2	-43.3	174.1	176.7	0	0	0	0	110.6	D288 Y289 W307 S308 Y314 E315 P321 P322 F323	D288-V311 VanDerWaalsContact O-CG1 3.29Å; D288-V311 WeakPolarHBondContact O-CG1 3.15Å; Y289-V311 HydrophobicContact CD1-CB 3.95Å; Y289-V311 HydrophobicContact CD1-CG1 3.41Å; Y289-V311 VanDerWaalsContact CD1-CG1 3.41Å; Y289-V311 HydrophobicContact CE1-CB 4.44Å; Y289-V311 HydrophobicContact CE1-CG1 3.6Å; Y289-V311 HydrophobicContact CG-CG1 4.17Å; W307-V311 WeakPolarHBondContact O-CG2 3.32Å; W307-V311 PolarHBondContact O-N 3.39Å; S308-V311 WeakPolarHBondContact O-CB 3.42Å; S308-V311 PolarHBondContact O-N 3.16Å; V311-Y314 PolarHBondContact O-N 2.84Å; V311-E315 PolarHBondContact O-N 3.14Å; V311-P321 HydrophobicContact CG1-CB 3.59Å; V311-P322 HydrophobicContact CG1-CG 4.41Å; V311-P322 HydrophobicContact CG2-CG 4.42Å; V311-F323 HydrophobicContact CG2-CD2 4.48Å; V311-F323 HydrophobicContact CG2-CE2 4.13Å
312	I	98.4	Very high	96.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62.9	-44.6	175.4	-66.8	173.7	0	0	0	111	I194 I214 P216 L219 Y289 S308 L309 Y314 E315 M316	I194-I312 HydrophobicContact CD1-CG2 4.28Å; I214-I312 HydrophobicContact CG2-CD1 3.59Å; P216-I312 HydrophobicContact CG-CG1 4.12Å; P216-I312 HydrophobicContact CG-CG2 4.45Å; L219-I312 HydrophobicContact CD1-CD1 3.98Å; L219-I312 HydrophobicContact CD1-CG2 4.45Å; Y289-I312 HydrophobicContact CD1-CG1 3.87Å; Y289-I312 HydrophobicContact CE1-CG1 3.92Å; S308-I312 WeakPolarHBondContact O-CG1 3.42Å; S308-I312 PolarHBondContact O-N 3.24Å; L309-I312 PolarHBondContact O-N 3.35Å; I312-Y314 VanDerWaalsContact C-N 3.3Å; I312-Y314 PolarHBondContact O-N 2.93Å; I312-E315 PolarHBondContact O-N 3.03Å; I312-E315 VanDerWaalsContact O-N 3.12Å; I312-M316 HydrophobicContact CG2-CE 3.67Å; I312-M316 HydrophobicContact CG2-CG 4.29Å; I312-M316 HydrophobicContact CG2-SD 4.12Å; I312-M316 WeakPolarHBondContact O-CG 3.48Å; I312-M316 PolarHBondContact O-N 2.84Å
313	M	98.7	Very high	96.8	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-59.3	-42.3	178	-176.6	176.4	171.8	0	0	111.6	T190 I194 L309 G310 M316 L317 A354 L357 I358 Y361 F382	T190-M313 HydrophobicContact CG2-CG 3.91Å; I194-M313 HydrophobicContact CD1-CB 3.72Å; I194-M313 HydrophobicContact CD1-CG 4.33Å; I194-M313 HydrophobicContact CG1-CB 4.02Å; I194-M313 HydrophobicContact CG1-CG 4.06Å; L309-M313 PolarHBondContact O-N 3.08Å; G310-M313 PolarHBondContact O-N 3.19Å; M313-M316 PolarHBondContact O-N 3.06Å; M313-L317 HydrophobicContact CE-CD1 4.08Å; M313-L317 HydrophobicContact CG-CD1 4.28Å; M313-L317 WeakPolarHBondContact O-CG 3.49Å; M313-L317 PolarHBondContact O-N 3.42Å; M313-A354 HydrophobicContact CE-CB 3.92Å; M313-L357 HydrophobicContact CE-CB 4.14Å; M313-L357 HydrophobicContact CE-CD2 3.92Å; M313-L357 HydrophobicContact CE-CG 4.31Å; M313-L357 HydrophobicContact SD-CB 4.25Å; M313-L357 HydrophobicContact SD-CD2 3.71Å; M313-L357 HydrophobicContact SD-CG 3.91Å; M313-I358 HydrophobicContact CB-CG1 4.16Å; M313-I358 HydrophobicContact CE-CD1 4.47Å; M313-I358 HydrophobicContact CE-CG1 4.16Å; M313-I358 HydrophobicContact CG-CD1 4.13Å; M313-I358 HydrophobicContact CG-CG1 3.82Å; M313-I358 HydrophobicContact SD-CG1 3.8Å; M313-Y361 HydrophobicContact SD-CE2 4.42Å; M313-F382 HydrophobicContact CE-CD1 3.87Å; M313-F382 HydrophobicContact CE-CD2 4.12Å; M313-F382 HydrophobicContact CE-CE1 3.52Å; M313-F382 HydrophobicContact CE-CE2 3.84Å; M313-F382 HydrophobicContact CE-CG 4.15Å; M313-F382 HydrophobicContact CE-CZ 3.53Å; M313-F382 HydrophobicContact SD-CE1 4.4Å
314	Y	98.6	Very high	96.6	Very high	5 Å²	5	3.7 Å²	3.7	2%	0.02	2%	0.021	C	C	.	.	H	α-helix	trans	-62.4	-46.7	173.3	-175.6	-72.7	0	0	0	111	G310 V311 I312 M316 L317 I318 Y320 P322 L342 V343 F344 I358	G310-Y314 PolarHBondContact O-N 2.74Å; V311-Y314 PolarHBondContact O-N 2.84Å; I312-Y314 VanDerWaalsContact C-N 3.3Å; I312-Y314 PolarHBondContact O-N 2.93Å; Y314-M316 VanDerWaalsContact C-N 3.33Å; Y314-M316 PolarHBondContact O-N 2.96Å; Y314-L317 PolarHBondContact O-N 3.45Å; Y314-I318 HydrophobicContact CD1-CB 3.83Å; Y314-I318 HydrophobicContact CD1-CG1 3.73Å; Y314-I318 HydrophobicContact CD1-CG2 4.4Å; Y314-I318 HydrophobicContact CD2-CG1 4.11Å; Y314-I318 HydrophobicContact CE1-CB 3.56Å; Y314-I318 HydrophobicContact CE1-CG1 3.59Å; Y314-I318 HydrophobicContact CE1-CG2 3.64Å; Y314-I318 HydrophobicContact CE2-CG1 4Å; Y314-I318 HydrophobicContact CG-CG1 4Å; Y314-I318 VanDerWaalsContact O-CB 3.28Å; Y314-I318 WeakPolarHBondContact O-CB 3.45Å; Y314-I318 VanDerWaalsContact O-CG1 3.32Å; Y314-I318 WeakPolarHBondContact O-CG1 3.16Å; Y314-I318 PolarHBondContact O-N 3.39Å; Y314-Y320 WeakPolarHBondContact CD1-O 3.19Å; Y314-Y320 HydrophobicContact CE1-CD2 4.34Å; Y314-Y320 HydrophobicContact CE1-CE2 4.12Å; Y314-Y320 VanDerWaalsContact CE1-O 3.29Å; Y314-Y320 WeakPolarHBondContact CE1-O 3.28Å; Y314-P322 HydrophobicContact CD1-CB 4.03Å; Y314-P322 VanDerWaalsContact CD1-CD 3.48Å; Y314-P322 HydrophobicContact CD1-CG 4.24Å; Y314-P322 HydrophobicContact CD2-CB 4.09Å; Y314-P322 HydrophobicContact CD2-CG 4.46Å; Y314-P322 HydrophobicContact CE1-CB 4Å; Y314-P322 HydrophobicContact CE2-CB 4.04Å; Y314-P322 HydrophobicContact CG-CB 4.08Å; Y314-P322 HydrophobicContact CG-CG 4.12Å; Y314-L342 HydrophobicContact CD2-CD1 4.21Å; Y314-L342 HydrophobicContact CE2-CD1 4.25Å; Y314-V343 PolarHBondContact OH-O 2.6Å; Y314-F344 HydrophobicContact CD2-CD1 4.13Å; Y314-F344 AromaticContact CD2-CE1 3.8Å; Y314-F344 HydrophobicContact CD2-CE1 3.8Å; Y314-F344 AromaticContact CE2-CD1 3.79Å; Y314-F344 HydrophobicContact CE2-CD1 3.79Å; Y314-F344 AromaticContact CE2-CE1 3.9Å; Y314-F344 HydrophobicContact CE2-CE1 3.9Å; Y314-I358 HydrophobicContact CD2-CD1 4.39Å; Y314-I358 HydrophobicContact CD2-CG2 4.21Å
315	E	97.8	Very high	96.3	Very high	6 Å²	6	4.1 Å²	4.1	3%	0.028	2%	0.024	C	C	.	.	H	α-helix	trans	-61.1	-40	178.6	-176.9	178.6	-171.2	0	0	112.5	L179 P216 W272 R276 Y289 V311 I312 L317 G319	L179-E315 HydrophobicContact CD1-CG 4.23Å; P216-E315 WeakPolarHBondContact CG-OE2 3.25Å; W272-E315 PolarHBondContact NE1-OE1 3.17Å; R276-E315 IonicContact CZ-OE1 3.11Å; R276-E315 IonicContact NE-OE1 2.92Å; R276-E315 PolarHBondContact NE-OE1 3.26Å; R276-E315 IonicContact NH2-OE1 3.94Å; R276-E315 PolarHBondContact NH2-OE1 3.2Å; R276-E315 IonicContact NH2-OE2 2.68Å; R276-E315 PolarHBondContact NH2-OE2 3.08Å; R276-E315 VanDerWaalsContact NH2-OE2 3.13Å; Y289-E315 WeakPolarHBondContact CE1-OE2 3.34Å; Y289-E315 PolarHBondContact OH-OE2 3.03Å; V311-E315 PolarHBondContact O-N 3.14Å; I312-E315 PolarHBondContact O-N 3.03Å; I312-E315 VanDerWaalsContact O-N 3.12Å; E315-L317 VanDerWaalsContact C-N 3.31Å; E315-L317 PolarHBondContact O-N 3.39Å; E315-G319 WeakPolarHBondContact O-CA 3.19Å; E315-G319 PolarHBondContact O-N 3.28Å
316	M	98.3	Very high	95.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.1	-42.4	176	-72.6	175.8	169.4	0	0	111.7	M175 L179 T184 L185 T190 I194 I312 M313 Y314	M175-M316 HydrophobicContact CE-CE 3.85Å; M175-M316 HydrophobicContact CG-CE 3.77Å; M175-M316 HydrophobicContact SD-CE 3.66Å; L179-M316 HydrophobicContact CD1-CG 4.38Å; L179-M316 HydrophobicContact CD2-CB 4.45Å; L179-M316 HydrophobicContact CD2-CG 4.09Å; T184-M316 CarbonylContact C-O 3.53Å; T184-M316 WeakPolarHBondContact CA-O 3.17Å; T184-M316 WeakPolarHBondContact CB-O 3.35Å; L185-M316 HydrophobicContact CB-CB 4.4Å; L185-M316 HydrophobicContact CD1-CB 4.23Å; L185-M316 HydrophobicContact CD1-CE 4.38Å; L185-M316 HydrophobicContact CD1-CG 3.93Å; L185-M316 HydrophobicContact CD1-SD 4.15Å; L185-M316 HydrophobicContact CG-CB 4.42Å; L185-M316 PolarHBondContact N-O 3.21Å; T190-M316 HydrophobicContact CG2-CB 4.08Å; T190-M316 HydrophobicContact CG2-SD 3.99Å; I194-M316 HydrophobicContact CD1-CE 4.44Å; I194-M316 HydrophobicContact CD1-SD 3.84Å; I194-M316 HydrophobicContact CG1-SD 4.08Å; I312-M316 HydrophobicContact CG2-CE 3.67Å; I312-M316 HydrophobicContact CG2-CG 4.29Å; I312-M316 HydrophobicContact CG2-SD 4.12Å; I312-M316 WeakPolarHBondContact O-CG 3.48Å; I312-M316 PolarHBondContact O-N 2.84Å; M313-M316 PolarHBondContact O-N 3.06Å; Y314-M316 VanDerWaalsContact C-N 3.33Å; Y314-M316 PolarHBondContact O-N 2.96Å
317	L	98.3	Very high	95	Very high	14 Å²	14	13.1 Å²	13.1	7%	0.073	7%	0.071	C	C	.	.	H	α-helix	trans	-86.2	-33	-174.7	-64.2	172.8	0	0	0	113.5	E187 T190 M313 Y314 E315 I350 A354 I358	E187-L317 HydrophobicContact CB-CD2 4.47Å; E187-L317 HydrophobicContact CG-CD2 3.73Å; T190-L317 HydrophobicContact CG2-CD1 4.25Å; T190-L317 HydrophobicContact CG2-CD2 4.05Å; T190-L317 HydrophobicContact CG2-CG 3.99Å; T190-L317 WeakPolarHBondContact OG1-CD2 3.11Å; M313-L317 HydrophobicContact CE-CD1 4.08Å; M313-L317 HydrophobicContact CG-CD1 4.28Å; M313-L317 WeakPolarHBondContact O-CG 3.49Å; M313-L317 PolarHBondContact O-N 3.42Å; Y314-L317 PolarHBondContact O-N 3.45Å; E315-L317 VanDerWaalsContact C-N 3.31Å; E315-L317 PolarHBondContact O-N 3.39Å; L317-I350 HydrophobicContact CB-CD1 4.21Å; L317-I350 HydrophobicContact CD1-CD1 3.75Å; L317-I350 HydrophobicContact CD1-CG1 4.2Å; L317-A354 HydrophobicContact CD1-CB 3.8Å; L317-I358 HydrophobicContact CD1-CD1 4.21Å
318	I	97.5	Very high	94.3	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.031	8%	0.079	C	C	.	.	H	α-helix	trans	-103.7	-28	-172.2	-52.2	-58.1	0	0	0	112.4	Y314 Y320 P345 V348 I350	Y314-I318 HydrophobicContact CD1-CB 3.83Å; Y314-I318 HydrophobicContact CD1-CG1 3.73Å; Y314-I318 HydrophobicContact CD1-CG2 4.4Å; Y314-I318 HydrophobicContact CD2-CG1 4.11Å; Y314-I318 HydrophobicContact CE1-CB 3.56Å; Y314-I318 HydrophobicContact CE1-CG1 3.59Å; Y314-I318 HydrophobicContact CE1-CG2 3.64Å; Y314-I318 HydrophobicContact CE2-CG1 4Å; Y314-I318 HydrophobicContact CG-CG1 4Å; Y314-I318 VanDerWaalsContact O-CB 3.28Å; Y314-I318 WeakPolarHBondContact O-CB 3.45Å; Y314-I318 VanDerWaalsContact O-CG1 3.32Å; Y314-I318 WeakPolarHBondContact O-CG1 3.16Å; Y314-I318 PolarHBondContact O-N 3.39Å; I318-Y320 HydrophobicContact CG2-CD1 4.33Å; I318-Y320 HydrophobicContact CG2-CE1 3.79Å; I318-Y320 HydrophobicContact CG2-CE2 4.2Å; I318-P345 HydrophobicContact CG2-CG 3.98Å; I318-V348 HydrophobicContact CD1-CB 4.24Å; I318-V348 HydrophobicContact CD1-CG1 3.62Å; I318-I350 HydrophobicContact CD1-CD1 4.22Å
319	G	95.3	Very high	93.6	Very high	5 Å²	5	17 Å²	17	5%	0.052	9%	0.091	C	C	.	.	S	Bend	trans	99.3	0.2	177	0	0	0	0	0	115.5	E315	E315-G319 WeakPolarHBondContact O-CA 3.19Å; E315-G319 PolarHBondContact O-N 3.28Å
320	Y	94.6	Very high	93.1	Very high	8 Å²	8	17.8 Å²	17.8	3%	0.031	9%	0.094	C	C	.	.	S	Bend	trans	-155.4	154.1	171.8	55.5	-93.3	0	0	0	109.4	S265 K268 A269 Y314 I318 C324 P345	S265-Y320 VanDerWaalsContact O-CE1 3.29Å; S265-Y320 WeakPolarHBondContact O-CE1 3.45Å; S265-Y320 WeakPolarHBondContact OG-CE1 3.2Å; S265-Y320 PolarHBondContact OG-OH 2.87Å; K268-Y320 HydrophobicContact CB-CD1 3.88Å; K268-Y320 HydrophobicContact CB-CD2 4.46Å; K268-Y320 HydrophobicContact CB-CE1 3.64Å; K268-Y320 HydrophobicContact CB-CE2 4.3Å; K268-Y320 HydrophobicContact CB-CG 4.28Å; K268-Y320 HydrophobicContact CD-CE2 4.13Å; A269-Y320 HydrophobicContact CB-CD1 3.89Å; A269-Y320 HydrophobicContact CB-CE1 4.49Å; Y314-Y320 WeakPolarHBondContact CD1-O 3.19Å; Y314-Y320 HydrophobicContact CE1-CD2 4.34Å; Y314-Y320 HydrophobicContact CE1-CE2 4.12Å; Y314-Y320 VanDerWaalsContact CE1-O 3.29Å; Y314-Y320 WeakPolarHBondContact CE1-O 3.28Å; I318-Y320 HydrophobicContact CG2-CD1 4.33Å; I318-Y320 HydrophobicContact CG2-CE1 3.79Å; I318-Y320 HydrophobicContact CG2-CE2 4.2Å; Y320-C324 VanDerWaalsContact CD2-SG 3.53Å; Y320-P345 WeakPolarHBondContact OH-CG 3.38Å
321	P	95.7	Very high	92.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.			trans	-73.1	149.7	178.5	30.7	-34	0	0	0	110.8	W272 D288 Y289 V311 F323 C324	W272-P321 HydrophobicContact CD2-CG 4.41Å; W272-P321 HydrophobicContact CH2-CG 3.49Å; W272-P321 VanDerWaalsContact CH2-CG 3.49Å; W272-P321 HydrophobicContact CZ2-CG 3.24Å; W272-P321 HydrophobicContact CZ3-CG 4.15Å; D288-P321 HydrophobicContact CB-CB 4.25Å; D288-P321 HydrophobicContact CB-CG 3.91Å; Y289-P321 HydrophobicContact CE1-CB 4.41Å; V311-P321 HydrophobicContact CG1-CB 3.59Å; P321-F323 PolarHBondContact O-N 3.5Å; P321-C324 HydrophobicContact CG-CB 3.97Å; P321-C324 PolarHBondContact O-N 2.98Å; P321-C324 VanDerWaalsContact O-N 3.14Å; P321-C324 PolarHBondContact O-SG 2.82Å
322	P	96.6	Very high	92.1	Very high	14 Å²	14	18.2 Å²	18.2	9%	0.091	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.6	-167.7	21	-33.6	0	0	0	114.2	V311 Y314 L342	V311-P322 HydrophobicContact CG1-CG 4.41Å; V311-P322 HydrophobicContact CG2-CG 4.42Å; Y314-P322 HydrophobicContact CD1-CB 4.03Å; Y314-P322 VanDerWaalsContact CD1-CD 3.48Å; Y314-P322 HydrophobicContact CD1-CG 4.24Å; Y314-P322 HydrophobicContact CD2-CB 4.09Å; Y314-P322 HydrophobicContact CD2-CG 4.46Å; Y314-P322 HydrophobicContact CE1-CB 4Å; Y314-P322 HydrophobicContact CE2-CB 4.04Å; Y314-P322 HydrophobicContact CG-CB 4.08Å; Y314-P322 HydrophobicContact CG-CG 4.12Å; P322-L342 HydrophobicContact CB-CD1 3.46Å; P322-L342 VanDerWaalsContact CB-CD1 3.46Å; P322-L342 HydrophobicContact CG-CD1 3.97Å
323	F	94.8	Very high	91.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	7.5	-173.9	-46	-62.7	0	0	0	113.6	W307 V311 P321 S325 T331 K334 V335 W338 L342	W307-F323 HydrophobicContact CH2-CE2 4.38Å; W307-F323 HydrophobicContact CH2-CZ 4.18Å; W307-F323 HydrophobicContact CZ2-CD2 4.47Å; W307-F323 AromaticContact CZ2-CE2 3.47Å; W307-F323 HydrophobicContact CZ2-CE2 3.47Å; W307-F323 VanDerWaalsContact CZ2-CE2 3.47Å; W307-F323 AromaticContact CZ2-CZ 3.7Å; W307-F323 HydrophobicContact CZ2-CZ 3.7Å; V311-F323 HydrophobicContact CG2-CD2 4.48Å; V311-F323 HydrophobicContact CG2-CE2 4.13Å; P321-F323 PolarHBondContact O-N 3.5Å; F323-S325 PolarHBondContact O-OG 3.13Å; F323-T331 HydrophobicContact CB-CG2 4.29Å; F323-T331 WeakPolarHBondContact O-CA 3.29Å; F323-T331 WeakPolarHBondContact O-CG2 3.32Å; F323-T331 PolarHBondContact O-OG1 3.43Å; F323-K334 HydrophobicContact CB-CB 3.97Å; F323-K334 HydrophobicContact CD1-CB 4.1Å; F323-K334 HydrophobicContact CG-CB 4.46Å; F323-V335 HydrophobicContact CB-CG2 3.74Å; F323-V335 HydrophobicContact CD2-CG2 3.71Å; F323-V335 HydrophobicContact CG-CG2 3.75Å; F323-W338 HydrophobicContact CE1-CB 3.82Å; F323-W338 HydrophobicContact CZ-CB 3.86Å; F323-L342 HydrophobicContact CE1-CB 4.01Å; F323-L342 HydrophobicContact CZ-CB 4.24Å; F323-L342 HydrophobicContact CZ-CD1 4.29Å
324	C	89.8	Confident	91.4	Very high	5 Å²	5	21 Å²	21	3%	0.034	11%	0.107	C	C	.	.			trans	-56.5	144.1	-178.6	64.2	0	0	0	0	112.1	F260 W272 D288 Y320 P321 K334	F260-C324 WeakPolarHBondContact CE1-O 3.41Å; W272-C324 HydrophobicContact CD2-CB 4.48Å; W272-C324 HydrophobicContact CE3-CB 3.8Å; W272-C324 HydrophobicContact CZ3-CB 3.88Å; D288-C324 VanDerWaalsContact OD1-CA 3.31Å; D288-C324 WeakPolarHBondContact OD1-CA 3.08Å; Y320-C324 VanDerWaalsContact CD2-SG 3.53Å; P321-C324 HydrophobicContact CG-CB 3.97Å; P321-C324 PolarHBondContact O-N 2.98Å; P321-C324 VanDerWaalsContact O-N 3.14Å; P321-C324 PolarHBondContact O-SG 2.82Å; C324-K334 PolarHBondContact O-NZ 2.72Å
325	S	87.1	Confident	91.1	Very high	14 Å²	14	20.8 Å²	20.8	10%	0.098	11%	0.106	C	C	.	.			trans	-151.5	170.1	179.9	-51.2	0	0	0	0	109.4	F323 T327 T331 K334	F323-S325 PolarHBondContact O-OG 3.13Å; S325-T327 PolarHBondContact O-N 3.04Å; S325-T331 PolarHBondContact N-OG1 3Å; S325-T331 PolarHBondContact OG-N 3.33Å; S325-K334 WeakPolarHBondContact OG-CD 3.28Å; S325-K334 WeakPolarHBondContact OG-CE 2.95Å; S325-K334 PolarHBondContact OG-NZ 3.06Å
326	E	82.4	Confident	90.8	Very high	136 Å²	136	22.2 Å²	22.2	64%	0.636	11%	0.113	S	C	*	.	S	Bend	trans	-68.7	-24.4	175.3	-63.5	-173.1	161.2	0	0	112.9	F260	F260-E326 HydrophobicContact CD2-CG 3.9Å; F260-E326 HydrophobicContact CE2-CG 4.37Å
327	T	82.2	Confident	90.5	Very high	57 Å²	57	24 Å²	24	35%	0.35	12%	0.123	S	C	.	.	S	Bend	trans	-129	144.9	-178.7	70	0	0	0	0	112	S325 Q329 E330 T331	S325-T327 PolarHBondContact O-N 3.04Å; T327-Q329 PolarHBondContact O-N 3.2Å; T327-E330 PolarHBondContact O-N 2.93Å; T327-E330 VanDerWaalsContact O-N 3.16Å; T327-E330 WeakPolarHBondContact OG1-CG 3.34Å; T327-E330 PolarHBondContact OG1-N 3.45Å; T327-T331 PolarHBondContact O-N 3.23Å; T327-T331 VanDerWaalsContact O-N 3.11Å; T327-T331 PolarHBondContact O-OG1 2.94Å
328	P	81.4	Confident	90.4	Very high	28 Å²	28	24.7 Å²	24.7	18%	0.182	12%	0.124	C	C	.	.	H	α-helix	trans	-56	-31	174.8	-25.6	33.2	0	0	0	114	T286 Y332	T286-P328 HydrophobicContact CG2-CB 4.26Å; T286-P328 HydrophobicContact CG2-CG 3.88Å; P328-Y332 WeakPolarHBondContact O-CB 3.15Å; P328-Y332 PolarHBondContact O-N 2.52Å
329	Q	83.4	Confident	90.3	Very high	60 Å²	60	31.1 Å²	31.1	28%	0.28	15%	0.152	S	C	.	.	H	α-helix	trans	-66.8	-41.7	178.7	-68.3	83.1	-1.6	0	0	112.3	L250 T327 Y332 R333	L250-Q329 HydrophobicContact CD1-CG 4.45Å; L250-Q329 HydrophobicContact CD2-CB 3.64Å; L250-Q329 HydrophobicContact CD2-CG 3.63Å; T327-Q329 PolarHBondContact O-N 3.2Å; Q329-Y332 WeakPolarHBondContact O-CB 3.16Å; Q329-Y332 PolarHBondContact O-N 3.47Å; Q329-R333 WeakPolarHBondContact O-CG 3.31Å; Q329-R333 PolarHBondContact O-N 3.27Å; Q329-R333 VanDerWaalsContact O-N 3.07Å
330	E	87.6	Confident	90.3	Very high	15 Å²	15	38.1 Å²	38.1	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-72.1	-40.1	175.7	-70.4	-61.3	151.2	0	0	111.2	P255 S256 D257 T327 Y332 R333 K334	P255-E330 WeakPolarHBondContact CA-OE2 3.2Å; P255-E330 WeakPolarHBondContact CB-OE2 3.28Å; S256-E330 PolarHBondContact N-OE2 3.38Å; S256-E330 PolarHBondContact OG-OE1 3.22Å; D257-E330 HydrophobicContact CB-CG 4.24Å; T327-E330 PolarHBondContact O-N 2.93Å; T327-E330 VanDerWaalsContact O-N 3.16Å; T327-E330 WeakPolarHBondContact OG1-CG 3.34Å; T327-E330 PolarHBondContact OG1-N 3.45Å; E330-Y332 VanDerWaalsContact C-N 3.28Å; E330-Y332 PolarHBondContact O-N 3Å; E330-R333 PolarHBondContact O-N 3.19Å; E330-R333 VanDerWaalsContact O-N 3.13Å; E330-R333 IonicContact OE1-CZ 2.78Å; E330-R333 IonicContact OE1-NH1 3.79Å; E330-R333 PolarHBondContact OE1-NH1 3.11Å; E330-R333 IonicContact OE2-NH1 2.75Å; E330-K334 PolarHBondContact O-N 2.84Å
331	T	88.6	Confident	90.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56	-45.9	171	-61.8	0	0	0	0	110.7	P287 D288 F323 S325 T327 R333 K334 V335	P287-T331 HydrophobicContact CG-CG2 3.74Å; D288-T331 HydrophobicContact CB-CG2 4.4Å; D288-T331 WeakPolarHBondContact OD1-CG2 3.49Å; D288-T331 PolarHBondContact OD1-OG1 2.9Å; F323-T331 HydrophobicContact CB-CG2 4.29Å; F323-T331 WeakPolarHBondContact O-CA 3.29Å; F323-T331 WeakPolarHBondContact O-CG2 3.32Å; F323-T331 PolarHBondContact O-OG1 3.43Å; S325-T331 PolarHBondContact N-OG1 3Å; S325-T331 PolarHBondContact OG-N 3.33Å; T327-T331 PolarHBondContact O-N 3.23Å; T327-T331 VanDerWaalsContact O-N 3.11Å; T327-T331 PolarHBondContact O-OG1 2.94Å; T331-R333 PolarHBondContact O-N 3.35Å; T331-K334 PolarHBondContact O-N 2.98Å; T331-V335 HydrophobicContact CG2-CG2 4.36Å; T331-V335 WeakPolarHBondContact O-CG2 3.29Å; T331-V335 PolarHBondContact O-N 3.22Å
332	Y	87.3	Confident	90.4	Very high	9 Å²	9	39.9 Å²	39.9	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-57.2	-46.6	174.9	168.5	-95.7	0	0	0	112.5	Y247 L250 H252 F295 P328 Q329 E330 K334 V335 M336	Y247-Y332 HydrophobicContact CD1-CD1 4.14Å; Y247-Y332 AromaticContact CD1-CD2 3.64Å; Y247-Y332 HydrophobicContact CD1-CD2 3.64Å; Y247-Y332 HydrophobicContact CD1-CE2 4.2Å; Y247-Y332 AromaticContact CD1-CG 3.58Å; Y247-Y332 HydrophobicContact CD1-CG 3.58Å; Y247-Y332 HydrophobicContact CD2-CD2 4.49Å; Y247-Y332 HydrophobicContact CE1-CD2 4.15Å; Y247-Y332 AromaticContact CE1-CG 4Å; Y247-Y332 HydrophobicContact CE1-CG 4Å; Y247-Y332 AromaticContact CG-CD2 3.83Å; Y247-Y332 HydrophobicContact CG-CD2 3.83Å; Y247-Y332 HydrophobicContact CG-CE2 4.03Å; Y247-Y332 HydrophobicContact CG-CG 4.24Å; L250-Y332 HydrophobicContact CB-CD1 4.34Å; L250-Y332 HydrophobicContact CB-CE1 4Å; L250-Y332 HydrophobicContact CD2-CD1 4.05Å; H252-Y332 AromaticContact CE1-CZ 3.89Å; H252-Y332 PolarHBondContact CE1-OH 3.38Å; H252-Y332 AromaticContact ND1-CZ 4Å; H252-Y332 PolarHBondContact ND1-OH 3.3Å; F295-Y332 HydrophobicContact CB-CE2 3.84Å; F295-Y332 AromaticContact CD1-CD2 3.96Å; F295-Y332 HydrophobicContact CD1-CD2 3.96Å; F295-Y332 AromaticContact CD1-CE2 3.84Å; F295-Y332 HydrophobicContact CD1-CE2 3.84Å; F295-Y332 HydrophobicContact CD2-CD2 4.17Å; F295-Y332 HydrophobicContact CD2-CE2 4.14Å; F295-Y332 HydrophobicContact CE1-CD2 4.15Å; F295-Y332 HydrophobicContact CE1-CE2 4.48Å; F295-Y332 HydrophobicContact CE2-CD2 4.35Å; F295-Y332 AromaticContact CG-CD2 3.98Å; F295-Y332 HydrophobicContact CG-CD2 3.98Å; F295-Y332 AromaticContact CG-CE2 3.65Å; F295-Y332 HydrophobicContact CG-CE2 3.65Å; F295-Y332 HydrophobicContact CZ-CD2 4.35Å; P328-Y332 WeakPolarHBondContact O-CB 3.15Å; P328-Y332 PolarHBondContact O-N 2.52Å; Q329-Y332 WeakPolarHBondContact O-CB 3.16Å; Q329-Y332 PolarHBondContact O-N 3.47Å; E330-Y332 VanDerWaalsContact C-N 3.28Å; E330-Y332 PolarHBondContact O-N 3Å; Y332-K334 VanDerWaalsContact C-N 3.32Å; Y332-K334 PolarHBondContact O-N 3.27Å; Y332-V335 PolarHBondContact O-N 3.01Å; Y332-M336 HydrophobicContact CD1-CG 4.47Å; Y332-M336 HydrophobicContact CD2-CG 4.16Å; Y332-M336 HydrophobicContact CE1-CG 4.08Å; Y332-M336 HydrophobicContact CE2-CG 3.74Å; Y332-M336 HydrophobicContact CE2-SD 4.16Å; Y332-M336 WeakPolarHBondContact O-CG 3.4Å; Y332-M336 PolarHBondContact O-N 2.82Å
333	R	89.5	Confident	90.3	Very high	46 Å²	46	43.5 Å²	43.5	17%	0.174	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-40.1	177.1	-72.6	177.4	-174.7	117	6.2	112.1	N253 P255 Q329 E330 T331 N337	N253-R333 WeakPolarHBondContact O-CD 3.46Å; N253-R333 WeakPolarHBondContact O-CG 3.29Å; P255-R333 HydrophobicContact CB-CB 4.2Å; Q329-R333 WeakPolarHBondContact O-CG 3.31Å; Q329-R333 PolarHBondContact O-N 3.27Å; Q329-R333 VanDerWaalsContact O-N 3.07Å; E330-R333 PolarHBondContact O-N 3.19Å; E330-R333 VanDerWaalsContact O-N 3.13Å; E330-R333 IonicContact OE1-CZ 2.78Å; E330-R333 IonicContact OE1-NH1 3.79Å; E330-R333 PolarHBondContact OE1-NH1 3.11Å; E330-R333 IonicContact OE2-NH1 2.75Å; T331-R333 PolarHBondContact O-N 3.35Å; R333-N337 WeakPolarHBondContact O-CB 3.48Å; R333-N337 PolarHBondContact O-N 3.02Å; R333-N337 VanDerWaalsContact O-N 3.1Å; R333-N337 PolarHBondContact O-ND2 3.15Å
334	K	92.8	Very high	90.4	Very high	14 Å²	14	45.2 Å²	45.2	6%	0.061	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-50.6	174.7	-72	178.7	-175	161.8	0	111.4	P255 D257 F323 C324 S325 E330 T331 Y332 M336 N337 W338 T341	P255-K334 HydrophobicContact CB-CG 3.97Å; P255-K334 HydrophobicContact CG-CG 3.9Å; D257-K334 WeakPolarHBondContact OD1-CE 3.26Å; D257-K334 IonicContact OD1-NZ 3.34Å; D257-K334 WeakPolarHBondContact OD2-CE 3.36Å; D257-K334 IonicContact OD2-NZ 3.96Å; D257-K334 PolarHBondContact OD2-NZ 2.67Å; F323-K334 HydrophobicContact CB-CB 3.97Å; F323-K334 HydrophobicContact CD1-CB 4.1Å; F323-K334 HydrophobicContact CG-CB 4.46Å; C324-K334 PolarHBondContact O-NZ 2.72Å; S325-K334 WeakPolarHBondContact OG-CD 3.28Å; S325-K334 WeakPolarHBondContact OG-CE 2.95Å; S325-K334 PolarHBondContact OG-NZ 3.06Å; E330-K334 PolarHBondContact O-N 2.84Å; T331-K334 PolarHBondContact O-N 2.98Å; Y332-K334 VanDerWaalsContact C-N 3.32Å; Y332-K334 PolarHBondContact O-N 3.27Å; K334-M336 VanDerWaalsContact C-N 3.3Å; K334-M336 PolarHBondContact O-N 3.27Å; K334-N337 CarbonylContact O-C 3.58Å; K334-N337 WeakPolarHBondContact O-CA 3.5Å; K334-N337 PolarHBondContact O-N 2.57Å; K334-W338 PolarHBondContact O-N 3.49Å; K334-T341 HydrophobicContact CB-CG2 4.34Å; K334-T341 HydrophobicContact CG-CG2 4.14Å; K334-T341 PolarHBondContact O-OG1 3.26Å
335	V	92.3	Very high	90.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.4	-44.9	177.1	171.4	0	0	0	0	111.7	I290 P292 F295 W307 F323 T331 Y332 N337 W338	I290-V335 WeakPolarHBondContact O-CG1 3.49Å; P292-V335 HydrophobicContact CB-CG1 4.15Å; F295-V335 HydrophobicContact CD2-CG1 4.48Å; F295-V335 HydrophobicContact CE2-CG1 4.13Å; W307-V335 HydrophobicContact CZ2-CG1 4.47Å; F323-V335 HydrophobicContact CB-CG2 3.74Å; F323-V335 HydrophobicContact CD2-CG2 3.71Å; F323-V335 HydrophobicContact CG-CG2 3.75Å; T331-V335 HydrophobicContact CG2-CG2 4.36Å; T331-V335 WeakPolarHBondContact O-CG2 3.29Å; T331-V335 PolarHBondContact O-N 3.22Å; Y332-V335 PolarHBondContact O-N 3.01Å; V335-N337 VanDerWaalsContact C-N 3.26Å; V335-N337 PolarHBondContact O-N 3.06Å; V335-W338 WeakPolarHBondContact O-CB 3.35Å; V335-W338 PolarHBondContact O-N 3.38Å
336	M	90.9	Very high	90.8	Very high	35 Å²	35	51.2 Å²	51.2	17%	0.172	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-24.4	178.8	-67.6	-53.1	-57.1	0	0	113.4	P292 F295 L296 Y332 K334	P292-M336 HydrophobicContact CB-SD 4.12Å; F295-M336 HydrophobicContact CB-SD 4.13Å; F295-M336 HydrophobicContact CD2-SD 4.18Å; L296-M336 HydrophobicContact CD2-CE 3.64Å; L296-M336 HydrophobicContact CG-CE 4.18Å; Y332-M336 HydrophobicContact CD1-CG 4.47Å; Y332-M336 HydrophobicContact CD2-CG 4.16Å; Y332-M336 HydrophobicContact CE1-CG 4.08Å; Y332-M336 HydrophobicContact CE2-CG 3.74Å; Y332-M336 HydrophobicContact CE2-SD 4.16Å; Y332-M336 WeakPolarHBondContact O-CG 3.4Å; Y332-M336 PolarHBondContact O-N 2.82Å; K334-M336 VanDerWaalsContact C-N 3.3Å; K334-M336 PolarHBondContact O-N 3.27Å
337	N	93.8	Very high	91.2	Very high	39 Å²	39	49.7 Å²	49.7	21%	0.209	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	37.1	177	-64	-74.4	0	0	0	111.3	H252 R333 K334 V335 K339 E340 T341	H252-N337 PolarHBondContact O-ND2 3.07Å; R333-N337 WeakPolarHBondContact O-CB 3.48Å; R333-N337 PolarHBondContact O-N 3.02Å; R333-N337 VanDerWaalsContact O-N 3.1Å; R333-N337 PolarHBondContact O-ND2 3.15Å; K334-N337 CarbonylContact O-C 3.58Å; K334-N337 WeakPolarHBondContact O-CA 3.5Å; K334-N337 PolarHBondContact O-N 2.57Å; V335-N337 VanDerWaalsContact C-N 3.26Å; V335-N337 PolarHBondContact O-N 3.06Å; N337-K339 PolarHBondContact O-N 3.15Å; N337-K339 VanDerWaalsContact O-N 3.14Å; N337-E340 PolarHBondContact O-N 3.27Å; N337-E340 VanDerWaalsContact O-N 3.08Å; N337-T341 HydrophobicContact CB-CG2 4.34Å; N337-T341 WeakPolarHBondContact O-CG2 3.23Å; N337-T341 PolarHBondContact O-N 3.29Å; N337-T341 VanDerWaalsContact O-N 3.07Å; N337-T341 PolarHBondContact O-OG1 3.5Å
338	W	95.6	Very high	91.8	Very high	28 Å²	28	48.4 Å²	48.4	11%	0.106	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-30.1	-172.9	65.7	-95.3	0	0	0	113.7	W307 F323 K334 V335 E340 T341 L342 C362 N363 D364	W307-W338 HydrophobicContact CH2-CB 3.69Å; W307-W338 AromaticContact CH2-CD1 3.77Å; W307-W338 AromaticContact CH2-CD2 3.96Å; W307-W338 HydrophobicContact CH2-CD2 3.96Å; W307-W338 AromaticContact CH2-CG 3.53Å; W307-W338 HydrophobicContact CH2-CG 3.53Å; W307-W338 HydrophobicContact CZ2-CB 4.3Å; W307-W338 HydrophobicContact CZ3-CD2 4.26Å; W307-W338 HydrophobicContact CZ3-CG 4.23Å; F323-W338 HydrophobicContact CE1-CB 3.82Å; F323-W338 HydrophobicContact CZ-CB 3.86Å; K334-W338 PolarHBondContact O-N 3.49Å; V335-W338 WeakPolarHBondContact O-CB 3.35Å; V335-W338 PolarHBondContact O-N 3.38Å; W338-E340 PolarHBondContact O-N 3.39Å; W338-T341 WeakPolarHBondContact CA-OG1 3.43Å; W338-T341 PolarHBondContact O-N 3Å; W338-L342 WeakPolarHBondContact O-CB 3.47Å; W338-L342 PolarHBondContact O-N 3.31Å; W338-C362 VanDerWaalsContact CE3-O 3.24Å; W338-C362 WeakPolarHBondContact CZ3-O 3.23Å; W338-N363 HydrophobicContact CH2-CB 4.38Å; W338-N363 WeakPolarHBondContact CH2-OD1 3.47Å; W338-D364 HydrophobicContact CZ2-CB 4.5Å
339	K	95.3	Very high	92.3	Very high	141 Å²	141	52.8 Å²	52.8	61%	0.613	28%	0.275	S	S	*	.	H	α-helix	trans	-58.7	-28.9	178	-68.7	-178.4	178.3	175.9	0	113	N337 D364	N337-K339 PolarHBondContact O-N 3.15Å; N337-K339 VanDerWaalsContact O-N 3.14Å; K339-D364 VanDerWaalsContact CE-OD2 3.28Å; K339-D364 WeakPolarHBondContact CE-OD2 3.36Å; K339-D364 IonicContact NZ-OD1 2.73Å; K339-D364 IonicContact NZ-OD2 2.68Å; K339-D364 PolarHBondContact NZ-OD2 2.99Å
340	E	94.3	Very high	93	Very high	151 Å²	151	50.9 Å²	50.9	71%	0.706	27%	0.267	S	S	*	.	H	α-helix	trans	-103.1	-28.2	178.8	-63.6	179.7	-172.7	0	0	112.3	N337 W338	N337-E340 PolarHBondContact O-N 3.27Å; N337-E340 VanDerWaalsContact O-N 3.08Å; W338-E340 PolarHBondContact O-N 3.39Å
341	T	95.8	Very high	93.5	Very high	28 Å²	28	51.9 Å²	51.9	17%	0.172	28%	0.275	C	S	.	.	H	α-helix	trans	-100.6	-16	-170	61	0	0	0	0	114.3	P255 K334 N337 W338 V343	P255-T341 HydrophobicContact CG-CG2 4.13Å; K334-T341 HydrophobicContact CB-CG2 4.34Å; K334-T341 HydrophobicContact CG-CG2 4.14Å; K334-T341 PolarHBondContact O-OG1 3.26Å; N337-T341 HydrophobicContact CB-CG2 4.34Å; N337-T341 WeakPolarHBondContact O-CG2 3.23Å; N337-T341 PolarHBondContact O-N 3.29Å; N337-T341 VanDerWaalsContact O-N 3.07Å; N337-T341 PolarHBondContact O-OG1 3.5Å; W338-T341 WeakPolarHBondContact CA-OG1 3.43Å; W338-T341 PolarHBondContact O-N 3Å; T341-V343 PolarHBondContact O-N 3.05Å
342	L	97.1	Very high	93.9	Very high	17 Å²	17	58.3 Å²	58.3	9%	0.089	31%	0.305	C	S	.	.			trans	-75.9	91.6	170.1	-179.6	57.2	0	0	0	109.6	Y314 P322 F323 W338 L359 C362	Y314-L342 HydrophobicContact CD2-CD1 4.21Å; Y314-L342 HydrophobicContact CE2-CD1 4.25Å; P322-L342 HydrophobicContact CB-CD1 3.46Å; P322-L342 VanDerWaalsContact CB-CD1 3.46Å; P322-L342 HydrophobicContact CG-CD1 3.97Å; F323-L342 HydrophobicContact CE1-CB 4.01Å; F323-L342 HydrophobicContact CZ-CB 4.24Å; F323-L342 HydrophobicContact CZ-CD1 4.29Å; W338-L342 WeakPolarHBondContact O-CB 3.47Å; W338-L342 PolarHBondContact O-N 3.31Å; L342-L359 HydrophobicContact CD2-CD2 3.8Å; L342-L359 HydrophobicContact CG-CD2 4.26Å; L342-C362 HydrophobicContact CD2-CB 3.57Å
343	V	95.6	Very high	94.4	Very high	90 Å²	90	63.5 Å²	63.5	55%	0.545	33%	0.325	S	S	.	.			trans	-124	139.9	-177.1	-175.6	0	0	0	0	110.4	Y314 T341	Y314-V343 PolarHBondContact OH-O 2.6Å; T341-V343 PolarHBondContact O-N 3.05Å
344	F	96.6	Very high	94.9	Very high	37 Å²	37	61.3 Å²	61.3	16%	0.162	32%	0.317	C	S	.	.			trans	-91.1	126.8	173.3	-60.5	-84	0	0	0	109.8	Y314 I350 K355 I358 L359	Y314-F344 HydrophobicContact CD2-CD1 4.13Å; Y314-F344 AromaticContact CD2-CE1 3.8Å; Y314-F344 HydrophobicContact CD2-CE1 3.8Å; Y314-F344 AromaticContact CE2-CD1 3.79Å; Y314-F344 HydrophobicContact CE2-CD1 3.79Å; Y314-F344 AromaticContact CE2-CE1 3.9Å; Y314-F344 HydrophobicContact CE2-CE1 3.9Å; F344-I350 HydrophobicContact CD1-CD1 4.17Å; F344-I350 HydrophobicContact CD1-CG2 4.5Å; F344-I350 HydrophobicContact CE1-CD1 4.13Å; F344-K355 HydrophobicContact CD1-CG 4.09Å; F344-K355 HydrophobicContact CD2-CD 4.39Å; F344-K355 HydrophobicContact CD2-CG 4.27Å; F344-K355 HydrophobicContact CE1-CB 4.39Å; F344-K355 HydrophobicContact CE1-CG 4.04Å; F344-K355 HydrophobicContact CE2-CB 4.18Å; F344-K355 HydrophobicContact CE2-CG 4.23Å; F344-K355 HydrophobicContact CG-CD 4.43Å; F344-K355 HydrophobicContact CG-CG 4.21Å; F344-K355 HydrophobicContact CZ-CB 4.03Å; F344-K355 HydrophobicContact CZ-CG 4.11Å; F344-I358 HydrophobicContact CE1-CB 4.36Å; F344-I358 HydrophobicContact CE1-CD1 3.93Å; F344-I358 HydrophobicContact CE1-CG2 4.18Å; F344-I358 HydrophobicContact CZ-CB 4.12Å; F344-I358 HydrophobicContact CZ-CG2 3.93Å; F344-L359 HydrophobicContact CE2-CD1 4.25Å; F344-L359 HydrophobicContact CE2-CD2 4Å; F344-L359 HydrophobicContact CE2-CG 4Å; F344-L359 HydrophobicContact CZ-CD2 4.44Å; F344-L359 HydrophobicContact CZ-CG 4.23Å
345	P	94	Very high	95.1	Very high	15 Å²	15	63 Å²	63	10%	0.097	32%	0.324	C	S	.	.			trans	-63.7	128.2	178.7	-19.2	31.5	0	0	0	110.8	I318 Y320 E347 V348	I318-P345 HydrophobicContact CG2-CG 3.98Å; Y320-P345 WeakPolarHBondContact OH-CG 3.38Å; P345-E347 PolarHBondContact O-N 3.21Å; P345-V348 HydrophobicContact CB-CB 4.39Å; P345-V348 HydrophobicContact CB-CG2 3.95Å; P345-V348 HydrophobicContact CG-CG2 4.25Å; P345-V348 PolarHBondContact O-N 2.91Å; P345-V348 VanDerWaalsContact O-N 3.15Å
346	P	91.6	Very high	95.4	Very high	130 Å²	130	66 Å²	66	84%	0.844	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.1	-176.3	26.2	-35.4	0	0	0	113.2
347	E	90.8	Very high	95.8	Very high	103 Å²	103	64.4 Å²	64.4	48%	0.481	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.3	179.3	71.1	-88.5	-151.8	0	0	114.7	S265 P345	S265-E347 WeakPolarHBondContact CB-OE1 3.49Å; S265-E347 PolarHBondContact N-OE1 2.94Å; P345-E347 PolarHBondContact O-N 3.21Å
348	V	92.8	Very high	96	Very high	30 Å²	30	62.5 Å²	62.5	18%	0.182	32%	0.322	C	S	.	.	S	Bend	trans	-99.9	124.1	-177.8	179.4	0	0	0	0	110.2	S265 I318 P345 I350	S265-V348 WeakPolarHBondContact OG-CG2 3.22Å; I318-V348 HydrophobicContact CD1-CB 4.24Å; I318-V348 HydrophobicContact CD1-CG1 3.62Å; P345-V348 HydrophobicContact CB-CB 4.39Å; P345-V348 HydrophobicContact CB-CG2 3.95Å; P345-V348 HydrophobicContact CG-CG2 4.25Å; P345-V348 PolarHBondContact O-N 2.91Å; P345-V348 VanDerWaalsContact O-N 3.15Å; V348-I350 PolarHBondContact O-N 2.78Å
349	P	93.4	Very high	96.1	Very high	120 Å²	120	64.6 Å²	64.6	78%	0.779	34%	0.335	S	S	*	.			trans	-70.9	124.7	177.6	29.1	-33.5	0	0	0	110.6
350	I	96.9	Very high	96.3	Very high	20 Å²	20	63.4 Å²	63.4	10%	0.103	33%	0.327	C	S	.	.			trans	-154.3	134.2	175.5	-177.7	175.2	0	0	0	109.2	L317 I318 F344 V348 A354 K355 I358	L317-I350 HydrophobicContact CB-CD1 4.21Å; L317-I350 HydrophobicContact CD1-CD1 3.75Å; L317-I350 HydrophobicContact CD1-CG1 4.2Å; I318-I350 HydrophobicContact CD1-CD1 4.22Å; F344-I350 HydrophobicContact CD1-CD1 4.17Å; F344-I350 HydrophobicContact CD1-CG2 4.5Å; F344-I350 HydrophobicContact CE1-CD1 4.13Å; V348-I350 PolarHBondContact O-N 2.78Å; I350-A354 HydrophobicContact CD1-CB 4.02Å; I350-A354 HydrophobicContact CG1-CB 3.7Å; I350-K355 HydrophobicContact CD1-CG 4.16Å; I350-K355 HydrophobicContact CG1-CG 4.19Å; I350-K355 HydrophobicContact CG2-CD 4.27Å; I350-K355 HydrophobicContact CG2-CG 3.96Å; I350-K355 WeakPolarHBondContact O-CE 3.48Å; I350-I358 HydrophobicContact CD1-CD1 4.05Å
351	S	98.1	Very high	96.4	Very high	36 Å²	36	56.2 Å²	56.2	25%	0.252	29%	0.293	S	S	.	.			trans	-69.4	154	-177.8	76	0	0	0	0	112.2	E187 R353 A354 K355	E187-S351 VanDerWaalsContact CD-OG 3.25Å; E187-S351 WeakPolarHBondContact OE1-CB 3.38Å; E187-S351 PolarHBondContact OE1-N 3.43Å; E187-S351 PolarHBondContact OE1-OG 2.82Å; E187-S351 WeakPolarHBondContact OE2-CB 3.38Å; E187-S351 PolarHBondContact OE2-OG 3.35Å; S351-R353 PolarHBondContact O-N 3.35Å; S351-A354 PolarHBondContact O-N 3.08Å; S351-A354 VanDerWaalsContact O-N 3.16Å; S351-A354 PolarHBondContact OG-N 2.67Å; S351-A354 VanDerWaalsContact OG-N 3.14Å; S351-K355 WeakPolarHBondContact O-CG 3.33Å; S351-K355 PolarHBondContact O-N 3.16Å
352	E	98.1	Very high	96.5	Very high	135 Å²	135	54.9 Å²	54.9	63%	0.631	29%	0.285	S	S	*	.	H	α-helix	trans	-62	-31.1	174.6	-65.1	-55.1	131.9	0	0	112	K355 D356	E352-K355 PolarHBondContact O-N 3.3Å; E352-K355 IonicContact OE1-NZ 2.81Å; E352-K355 PolarHBondContact OE1-NZ 3.29Å; E352-D356 WeakPolarHBondContact O-CB 3.36Å; E352-D356 PolarHBondContact O-N 3.11Å
353	R	98.2	Very high	96.5	Very high	118 Å²	118	56 Å²	56	45%	0.445	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-42.5	174.8	-66.8	-178.1	175.1	-159.7	1.9	111.4	S351 L357 H380 A381 F382 E384	S351-R353 PolarHBondContact O-N 3.35Å; R353-L357 PolarHBondContact O-N 3.42Å; R353-H380 PolarHBondContact O-CE1 3.12Å; R353-A381 HydrophobicContact CG-CB 4.42Å; R353-A381 PolarHBondContact NH1-O 3.4Å; R353-F382 HydrophobicContact CB-CB 4.35Å; R353-F382 HydrophobicContact CB-CD2 4.34Å; R353-E384 IonicContact CZ-OE2 3.85Å; R353-E384 VanDerWaalsContact CZ-OE2 3.31Å; R353-E384 IonicContact NH1-OE2 3.63Å; R353-E384 PolarHBondContact NH1-OE2 2.97Å; R353-E384 IonicContact NH2-OE2 2.71Å; R353-E384 PolarHBondContact NH2-OE2 3.01Å
354	A	98.4	Very high	96.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.4	-42.5	177.7	0	0	0	0	0	111.9	M313 L317 I350 S351 L357 I358 F382	M313-A354 HydrophobicContact CE-CB 3.92Å; L317-A354 HydrophobicContact CD1-CB 3.8Å; I350-A354 HydrophobicContact CD1-CB 4.02Å; I350-A354 HydrophobicContact CG1-CB 3.7Å; S351-A354 PolarHBondContact O-N 3.08Å; S351-A354 VanDerWaalsContact O-N 3.16Å; S351-A354 PolarHBondContact OG-N 2.67Å; S351-A354 VanDerWaalsContact OG-N 3.14Å; A354-L357 PolarHBondContact O-N 3.48Å; A354-I358 WeakPolarHBondContact O-CG1 3.43Å; A354-I358 PolarHBondContact O-N 3.3Å; A354-F382 HydrophobicContact CB-CD2 4.04Å; A354-F382 HydrophobicContact CB-CE2 3.84Å
355	K	98.4	Very high	96.1	Very high	51 Å²	51	53.9 Å²	53.9	22%	0.222	28%	0.282	C	S	.	.	H	α-helix	trans	-59.9	-48.6	175.1	-67.6	178.9	-165.3	165.9	0	112	F344 I350 S351 E352 L357 I358 L359	F344-K355 HydrophobicContact CD1-CG 4.09Å; F344-K355 HydrophobicContact CD2-CD 4.39Å; F344-K355 HydrophobicContact CD2-CG 4.27Å; F344-K355 HydrophobicContact CE1-CB 4.39Å; F344-K355 HydrophobicContact CE1-CG 4.04Å; F344-K355 HydrophobicContact CE2-CB 4.18Å; F344-K355 HydrophobicContact CE2-CG 4.23Å; F344-K355 HydrophobicContact CG-CD 4.43Å; F344-K355 HydrophobicContact CG-CG 4.21Å; F344-K355 HydrophobicContact CZ-CB 4.03Å; F344-K355 HydrophobicContact CZ-CG 4.11Å; I350-K355 HydrophobicContact CD1-CG 4.16Å; I350-K355 HydrophobicContact CG1-CG 4.19Å; I350-K355 HydrophobicContact CG2-CD 4.27Å; I350-K355 HydrophobicContact CG2-CG 3.96Å; I350-K355 WeakPolarHBondContact O-CE 3.48Å; S351-K355 WeakPolarHBondContact O-CG 3.33Å; S351-K355 PolarHBondContact O-N 3.16Å; E352-K355 PolarHBondContact O-N 3.3Å; E352-K355 IonicContact OE1-NZ 2.81Å; E352-K355 PolarHBondContact OE1-NZ 3.29Å; K355-L357 VanDerWaalsContact C-N 3.32Å; K355-L357 PolarHBondContact O-N 3.07Å; K355-I358 PolarHBondContact O-N 3.39Å; K355-L359 WeakPolarHBondContact O-CG 3.27Å; K355-L359 PolarHBondContact O-N 3.47Å
356	D	98.4	Very high	95.9	Very high	63 Å²	63	61.5 Å²	61.5	34%	0.337	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-45.8	179.4	-171.8	49.2	0	0	0	110.9	E352 I358 L359 R360 H380	E352-D356 WeakPolarHBondContact O-CB 3.36Å; E352-D356 PolarHBondContact O-N 3.11Å; D356-I358 PolarHBondContact O-N 2.99Å; D356-L359 PolarHBondContact O-N 3.12Å; D356-R360 WeakPolarHBondContact O-CG 3.14Å; D356-R360 PolarHBondContact O-N 3.47Å; D356-R360 IonicContact OD1-NE 3.66Å; D356-R360 IonicContact OD1-NH2 2.71Å; D356-R360 IonicContact OD2-CZ 3.79Å; D356-R360 VanDerWaalsContact OD2-CZ 3.28Å; D356-R360 IonicContact OD2-NE 2.6Å; D356-R360 PolarHBondContact OD2-NE 2.77Å; D356-R360 IonicContact OD2-NH2 3.93Å; D356-R360 PolarHBondContact OD2-NH2 3.3Å; D356-H380 IonicContact OD2-CE1 2.75Å; D356-H380 IonicContact OD2-NE2 3.05Å; D356-H380 PolarHBondContact OD2-NE2 3.31Å
357	L	98.4	Very high	96	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-45.1	179.3	-174	53.9	0	0	0	112.5	M313 R353 A354 K355 L359 R360 Y361 H380 F382 F383	M313-L357 HydrophobicContact CE-CB 4.14Å; M313-L357 HydrophobicContact CE-CD2 3.92Å; M313-L357 HydrophobicContact CE-CG 4.31Å; M313-L357 HydrophobicContact SD-CB 4.25Å; M313-L357 HydrophobicContact SD-CD2 3.71Å; M313-L357 HydrophobicContact SD-CG 3.91Å; R353-L357 PolarHBondContact O-N 3.42Å; A354-L357 PolarHBondContact O-N 3.48Å; K355-L357 VanDerWaalsContact C-N 3.32Å; K355-L357 PolarHBondContact O-N 3.07Å; L357-L359 VanDerWaalsContact C-N 3.32Å; L357-L359 PolarHBondContact O-N 3.34Å; L357-R360 PolarHBondContact O-N 3.02Å; L357-Y361 HydrophobicContact CD1-CD2 3.88Å; L357-Y361 HydrophobicContact CD1-CE2 3.51Å; L357-Y361 HydrophobicContact CD2-CE2 3.87Å; L357-Y361 HydrophobicContact CG-CD2 3.77Å; L357-Y361 HydrophobicContact CG-CE2 3.48Å; L357-Y361 VanDerWaalsContact CG-CE2 3.48Å; L357-Y361 WeakPolarHBondContact O-CD2 3.28Å; L357-Y361 PolarHBondContact O-N 3.14Å; L357-H380 HydrophobicContact CD1-CB 4.3Å; L357-F382 HydrophobicContact CB-CB 4.39Å; L357-F382 HydrophobicContact CD2-CB 3.82Å; L357-F382 HydrophobicContact CD2-CD1 3.41Å; L357-F382 VanDerWaalsContact CD2-CD1 3.41Å; L357-F382 HydrophobicContact CD2-CE1 4.23Å; L357-F382 HydrophobicContact CD2-CG 3.85Å; L357-F383 HydrophobicContact CD1-CE2 4.33Å; L357-F383 HydrophobicContact CD2-CD2 4.24Å; L357-F383 HydrophobicContact CD2-CE1 4.45Å; L357-F383 HydrophobicContact CD2-CE2 3.41Å; L357-F383 VanDerWaalsContact CD2-CE2 3.41Å; L357-F383 HydrophobicContact CD2-CZ 3.53Å
358	I	98.6	Very high	96.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-44.5	176.9	-71.1	165.8	0	0	0	110.7	M313 Y314 L317 F344 I350 A354 K355 D356 R360 Y361 C362	M313-I358 HydrophobicContact CB-CG1 4.16Å; M313-I358 HydrophobicContact CE-CD1 4.47Å; M313-I358 HydrophobicContact CE-CG1 4.16Å; M313-I358 HydrophobicContact CG-CD1 4.13Å; M313-I358 HydrophobicContact CG-CG1 3.82Å; M313-I358 HydrophobicContact SD-CG1 3.8Å; Y314-I358 HydrophobicContact CD2-CD1 4.39Å; Y314-I358 HydrophobicContact CD2-CG2 4.21Å; L317-I358 HydrophobicContact CD1-CD1 4.21Å; F344-I358 HydrophobicContact CE1-CB 4.36Å; F344-I358 HydrophobicContact CE1-CD1 3.93Å; F344-I358 HydrophobicContact CE1-CG2 4.18Å; F344-I358 HydrophobicContact CZ-CB 4.12Å; F344-I358 HydrophobicContact CZ-CG2 3.93Å; I350-I358 HydrophobicContact CD1-CD1 4.05Å; A354-I358 WeakPolarHBondContact O-CG1 3.43Å; A354-I358 PolarHBondContact O-N 3.3Å; K355-I358 PolarHBondContact O-N 3.39Å; D356-I358 PolarHBondContact O-N 2.99Å; I358-R360 VanDerWaalsContact C-N 3.29Å; I358-R360 PolarHBondContact O-N 3.35Å; I358-Y361 PolarHBondContact O-N 3.39Å; I358-C362 WeakPolarHBondContact O-CB 2.95Å; I358-C362 PolarHBondContact O-N 3.15Å
359	L	98.3	Very high	96.2	Very high	72 Å²	72	54.7 Å²	54.7	38%	0.377	28%	0.275	S	S	.	.	H	α-helix	trans	-64.5	-33.5	178.3	-69.9	172.6	0	0	0	112.3	L342 F344 K355 D356 L357 C362	L342-L359 HydrophobicContact CD2-CD2 3.8Å; L342-L359 HydrophobicContact CG-CD2 4.26Å; F344-L359 HydrophobicContact CE2-CD1 4.25Å; F344-L359 HydrophobicContact CE2-CD2 4Å; F344-L359 HydrophobicContact CE2-CG 4Å; F344-L359 HydrophobicContact CZ-CD2 4.44Å; F344-L359 HydrophobicContact CZ-CG 4.23Å; K355-L359 WeakPolarHBondContact O-CG 3.27Å; K355-L359 PolarHBondContact O-N 3.47Å; D356-L359 PolarHBondContact O-N 3.12Å; L357-L359 VanDerWaalsContact C-N 3.32Å; L357-L359 PolarHBondContact O-N 3.34Å; L359-C362 CarbonylContact O-C 3.1Å
360	R	97.7	Very high	96	Very high	116 Å²	116	49.2 Å²	49.2	44%	0.438	24%	0.24	S	C	.	.	H	α-helix	trans	-73.8	-32.9	174.9	-69.6	-177.2	-167	-142.2	8.5	113.4	D356 L357 I358 R368 V369	D356-R360 WeakPolarHBondContact O-CG 3.14Å; D356-R360 PolarHBondContact O-N 3.47Å; D356-R360 IonicContact OD1-NE 3.66Å; D356-R360 IonicContact OD1-NH2 2.71Å; D356-R360 IonicContact OD2-CZ 3.79Å; D356-R360 VanDerWaalsContact OD2-CZ 3.28Å; D356-R360 IonicContact OD2-NE 2.6Å; D356-R360 PolarHBondContact OD2-NE 2.77Å; D356-R360 IonicContact OD2-NH2 3.93Å; D356-R360 PolarHBondContact OD2-NH2 3.3Å; L357-R360 PolarHBondContact O-N 3.02Å; I358-R360 VanDerWaalsContact C-N 3.29Å; I358-R360 PolarHBondContact O-N 3.35Å; R360-R368 WeakPolarHBondContact O-CA 3.49Å; R360-V369 HydrophobicContact CB-CB 4.05Å; R360-V369 HydrophobicContact CB-CG1 4.13Å; R360-V369 PolarHBondContact O-N 3.31Å
361	Y	98	Very high	95.6	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-71.3	-48.1	171.6	-80.3	-57.4	0	0	0	111.8	I194 V198 W306 L309 G310 M313 L357 I358 N363 R368 V369 M377	I194-Y361 HydrophobicContact CG2-CE2 4.47Å; V198-Y361 WeakPolarHBondContact CG2-OH 3.34Å; W306-Y361 HydrophobicContact CB-CD1 4.14Å; W306-Y361 HydrophobicContact CB-CE1 4.41Å; W306-Y361 VanDerWaalsContact O-CD1 3.22Å; W306-Y361 WeakPolarHBondContact O-CD1 3.35Å; L309-Y361 HydrophobicContact CD2-CE1 4.14Å; G310-Y361 VanDerWaalsContact CA-CB 3.47Å; M313-Y361 HydrophobicContact SD-CE2 4.42Å; L357-Y361 HydrophobicContact CD1-CD2 3.88Å; L357-Y361 HydrophobicContact CD1-CE2 3.51Å; L357-Y361 HydrophobicContact CD2-CE2 3.87Å; L357-Y361 HydrophobicContact CG-CD2 3.77Å; L357-Y361 HydrophobicContact CG-CE2 3.48Å; L357-Y361 VanDerWaalsContact CG-CE2 3.48Å; L357-Y361 WeakPolarHBondContact O-CD2 3.28Å; L357-Y361 PolarHBondContact O-N 3.14Å; I358-Y361 PolarHBondContact O-N 3.39Å; Y361-N363 PolarHBondContact O-N 3.2Å; Y361-R368 WeakPolarHBondContact O-CD 3.39Å; Y361-R368 VanDerWaalsContact O-CG 3.22Å; Y361-R368 WeakPolarHBondContact O-CG 3.41Å; Y361-R368 PolarHBondContact O-NE 2.95Å; Y361-R368 VanDerWaalsContact O-NE 3.14Å; Y361-V369 HydrophobicContact CD1-CG1 3.38Å; Y361-V369 HydrophobicContact CE1-CG1 3.55Å; Y361-V369 HydrophobicContact CG-CG1 3.91Å; Y361-M377 HydrophobicContact CD1-CE 4.46Å; Y361-M377 HydrophobicContact CE1-CE 3.72Å; Y361-M377 HydrophobicContact CE1-CG 4.27Å; Y361-M377 HydrophobicContact CE1-SD 3.75Å
362	C	97.6	Very high	95.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-88.1	56.3	-179.2	-62.9	0	0	0	0	111.3	W307 W338 L342 I358 L359	W307-C362 VanDerWaalsContact CE3-CA 3.49Å; W307-C362 HydrophobicContact CE3-CB 4.2Å; W307-C362 HydrophobicContact CH2-CB 4.14Å; W307-C362 HydrophobicContact CZ2-CB 4.5Å; W307-C362 VanDerWaalsContact CZ3-CA 3.5Å; W307-C362 HydrophobicContact CZ3-CB 4Å; W338-C362 VanDerWaalsContact CE3-O 3.24Å; W338-C362 WeakPolarHBondContact CZ3-O 3.23Å; L342-C362 HydrophobicContact CD2-CB 3.57Å; I358-C362 WeakPolarHBondContact O-CB 2.95Å; I358-C362 PolarHBondContact O-N 3.15Å; L359-C362 CarbonylContact O-C 3.1Å
363	N	95.9	Very high	94.7	Very high	41 Å²	41	49.8 Å²	49.8	22%	0.219	26%	0.258	C	S	.	.	S	Bend	trans	-118.9	172.3	177.7	-151.1	-31.7	0	0	0	111.5	W338 Y361 R368	W338-N363 HydrophobicContact CH2-CB 4.38Å; W338-N363 WeakPolarHBondContact CH2-OD1 3.47Å; Y361-N363 PolarHBondContact O-N 3.2Å; N363-R368 PolarHBondContact O-NE 3.19Å; N363-R368 PolarHBondContact O-NH2 3.28Å
364	D	93.2	Very high	94.4	Very high	59 Å²	59	45 Å²	45	32%	0.316	24%	0.241	S	C	.	.			trans	-51.2	138.2	167.5	-69.7	-45.5	0	0	0	109.6	W338 K339 E366 N367 R368	W338-D364 HydrophobicContact CZ2-CB 4.5Å; K339-D364 VanDerWaalsContact CE-OD2 3.28Å; K339-D364 WeakPolarHBondContact CE-OD2 3.36Å; K339-D364 IonicContact NZ-OD1 2.73Å; K339-D364 IonicContact NZ-OD2 2.68Å; K339-D364 PolarHBondContact NZ-OD2 2.99Å; D364-E366 PolarHBondContact O-N 3.11Å; D364-N367 CarbonylContact O-C 3.56Å; D364-N367 PolarHBondContact O-N 2.62Å; D364-R368 PolarHBondContact O-N 2.92Å
365	A	91.6	Very high	94.2	Very high	23 Å²	23	49.9 Å²	49.9	19%	0.19	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.4	-169.7	0	0	0	0	0	114	E293 L303	E293-A365 HydrophobicContact CG-CB 4.39Å; L303-A365 WeakPolarHBondContact CD1-O 3.31Å
366	E	89.9	Confident	94	Very high	175 Å²	175	51 Å²	51	82%	0.818	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-27.9	179.6	-61.9	176.8	-178.1	0	0	113.4	D364	D364-E366 PolarHBondContact O-N 3.11Å
367	N	92.9	Very high	93.7	Very high	109 Å²	109	48 Å²	48	58%	0.583	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	2.9	-178.4	-61.9	-47.7	0	0	0	112.5	D364	D364-N367 CarbonylContact O-C 3.56Å; D364-N367 PolarHBondContact O-N 2.62Å
368	R	95	Very high	93.6	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.008	27%	0.266	C	S	.	.	S	Bend	trans	-69.7	137.7	-178.4	-168.8	171.7	-58.5	138.2	4.3	109.9	E293 L303 W306 R360 Y361 N363 D364 G370 A371	E293-R368 IonicContact OE1-CZ 3.2Å; E293-R368 IonicContact OE1-NH1 3.97Å; E293-R368 PolarHBondContact OE1-NH1 3.06Å; E293-R368 IonicContact OE1-NH2 3.58Å; E293-R368 PolarHBondContact OE1-NH2 3.4Å; E293-R368 IonicContact OE2-CZ 3.74Å; E293-R368 IonicContact OE2-NH1 2.83Å; E293-R368 IonicContact OE2-NH2 3.29Å; E293-R368 PolarHBondContact OE2-NH2 3.3Å; L303-R368 WeakPolarHBondContact O-CD 3.36Å; L303-R368 PolarHBondContact O-NH1 3.44Å; W306-R368 HydrophobicContact CB-CG 4.48Å; R360-R368 WeakPolarHBondContact O-CA 3.49Å; Y361-R368 WeakPolarHBondContact O-CD 3.39Å; Y361-R368 VanDerWaalsContact O-CG 3.22Å; Y361-R368 WeakPolarHBondContact O-CG 3.41Å; Y361-R368 PolarHBondContact O-NE 2.95Å; Y361-R368 VanDerWaalsContact O-NE 3.14Å; N363-R368 PolarHBondContact O-NE 3.19Å; N363-R368 PolarHBondContact O-NH2 3.28Å; D364-R368 PolarHBondContact O-N 2.92Å; R368-G370 PolarHBondContact O-N 3.21Å; R368-A371 WeakPolarHBondContact O-CB 3.12Å; R368-A371 PolarHBondContact O-N 3.37Å
369	V	92.9	Very high	93.5	Very high	8 Å²	8	55.4 Å²	55.4	5%	0.048	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	135.3	172.1	66.3	0	0	0	0	109.5	R360 Y361 E376 M377	R360-V369 HydrophobicContact CB-CB 4.05Å; R360-V369 HydrophobicContact CB-CG1 4.13Å; R360-V369 PolarHBondContact O-N 3.31Å; Y361-V369 HydrophobicContact CD1-CG1 3.38Å; Y361-V369 HydrophobicContact CE1-CG1 3.55Å; Y361-V369 HydrophobicContact CG-CG1 3.91Å; V369-E376 HydrophobicContact CG2-CB 3.84Å; V369-M377 HydrophobicContact CB-CG 4.4Å; V369-M377 HydrophobicContact CG1-CE 4.26Å; V369-M377 HydrophobicContact CG1-CG 4.14Å; V369-M377 HydrophobicContact CG2-CB 4.31Å; V369-M377 HydrophobicContact CG2-CG 3.6Å; V369-M377 WeakPolarHBondContact O-CE 3.42Å
370	G	89.8	Confident	93.5	Very high	5 Å²	5	52.7 Å²	52.7	5%	0.052	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	3.3	-175.3	0	0	0	0	0	115	L303 R368 S373 E376	L303-G370 VanDerWaalsContact CD2-O 3.28Å; L303-G370 WeakPolarHBondContact CD2-O 2.98Å; R368-G370 PolarHBondContact O-N 3.21Å; G370-S373 WeakPolarHBondContact CA-O 3.44Å; G370-E376 PolarHBondContact N-OE2 3.08Å; G370-E376 VanDerWaalsContact N-OE2 3.08Å
371	A	88.2	Confident	93.5	Very high	37 Å²	37	49.3 Å²	49.3	31%	0.306	28%	0.28	S	S	.	.	S	Bend	trans	-62.9	-41.8	171.9	0	0	0	0	0	111.9	L303 R368	L303-A371 HydrophobicContact CD1-CB 3.84Å; R368-A371 WeakPolarHBondContact O-CB 3.12Å; R368-A371 PolarHBondContact O-N 3.37Å
372	V	86.9	Confident	93.5	Very high	123 Å²	123	49.6 Å²	49.6	75%	0.745	28%	0.281	S	S	*	.	S	Bend	trans	-87.8	-57.2	178.8	-174.7	0	0	0	0	110.6	E376	V372-E376 WeakPolarHBondContact CB-OE1 3.44Å; V372-E376 WeakPolarHBondContact CG2-OE1 3.39Å
373	S	89.9	Confident	93.5	Very high	44 Å²	44	49.7 Å²	49.7	31%	0.308	28%	0.282	S	S	.	.			trans	-157.4	163.9	174.4	95.3	0	0	0	0	112.5	G370 E375 E376	G370-S373 WeakPolarHBondContact CA-O 3.44Å; S373-E375 WeakPolarHBondContact CB-OE2 3.35Å; S373-E375 PolarHBondContact O-N 2.7Å; S373-E375 WeakPolarHBondContact OG-CB 3.48Å; S373-E375 PolarHBondContact OG-N 3.41Å; S373-E375 PolarHBondContact OG-OE2 3.4Å; S373-E376 PolarHBondContact O-N 3.35Å
374	I	92.8	Very high	93.5	Very high	17 Å²	17	54.3 Å²	54.3	9%	0.087	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23	-179.3	-170.6	165.7	0	0	0	113.1	V198 D202 E376 M377 K378	V198-I374 HydrophobicContact CG1-CD1 3.67Å; V198-I374 HydrophobicContact CG1-CG1 3.88Å; D202-I374 HydrophobicContact CB-CD1 3.3Å; D202-I374 WeakPolarHBondContact OD2-CD1 3.36Å; I374-E376 PolarHBondContact O-N 3.17Å; I374-M377 WeakPolarHBondContact O-CA 3.45Å; I374-M377 WeakPolarHBondContact O-CB 3.03Å; I374-M377 PolarHBondContact O-N 3.32Å; I374-K378 HydrophobicContact CG1-CG 4.35Å; I374-K378 PolarHBondContact O-N 3.31Å
375	E	93.8	Very high	93.5	Very high	103 Å²	103	55.9 Å²	55.9	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-28.9	177.9	-70.7	63.4	-149.4	0	0	111.7	S373 M377 K378 S379	S373-E375 WeakPolarHBondContact CB-OE2 3.35Å; S373-E375 PolarHBondContact O-N 2.7Å; S373-E375 WeakPolarHBondContact OG-CB 3.48Å; S373-E375 PolarHBondContact OG-N 3.41Å; S373-E375 PolarHBondContact OG-OE2 3.4Å; E375-M377 VanDerWaalsContact C-N 3.27Å; E375-M377 PolarHBondContact O-N 3.18Å; E375-K378 PolarHBondContact O-N 2.83Å; E375-S379 VanDerWaalsContact O-CB 3.27Å; E375-S379 WeakPolarHBondContact O-CB 3.14Å; E375-S379 PolarHBondContact O-N 3.25Å; E375-S379 PolarHBondContact O-OG 2.81Å
376	E	93.6	Very high	93.7	Very high	75 Å²	75	55.9 Å²	55.9	35%	0.35	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-37.2	171.5	-65.4	-176	164.5	0	0	112.2	V369 G370 V372 S373 I374 S379	V369-E376 HydrophobicContact CG2-CB 3.84Å; G370-E376 PolarHBondContact N-OE2 3.08Å; G370-E376 VanDerWaalsContact N-OE2 3.08Å; V372-E376 WeakPolarHBondContact CB-OE1 3.44Å; V372-E376 WeakPolarHBondContact CG2-OE1 3.39Å; S373-E376 PolarHBondContact O-N 3.35Å; I374-E376 PolarHBondContact O-N 3.17Å; E376-S379 PolarHBondContact O-OG 3.16Å
377	M	93.7	Very high	94	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-72.1	-51	174.3	-60	-178.3	-173.8	0	0	110.1	V198 W306 Y361 V369 I374 E375 S379 H380 F383	V198-M377 HydrophobicContact CG1-SD 4.09Å; V198-M377 HydrophobicContact CG2-SD 4.04Å; W306-M377 HydrophobicContact CB-CE 3.91Å; W306-M377 HydrophobicContact CD2-CE 3.22Å; W306-M377 HydrophobicContact CD2-SD 4.16Å; W306-M377 VanDerWaalsContact CE2-CE 3.49Å; W306-M377 HydrophobicContact CE3-CE 3.65Å; W306-M377 HydrophobicContact CE3-SD 4.01Å; W306-M377 HydrophobicContact CG-CE 3.33Å; W306-M377 HydrophobicContact CH2-CE 4.46Å; W306-M377 HydrophobicContact CH2-SD 4.37Å; W306-M377 HydrophobicContact CZ2-CE 4.13Å; W306-M377 HydrophobicContact CZ3-CE 4.24Å; W306-M377 HydrophobicContact CZ3-SD 4.11Å; Y361-M377 HydrophobicContact CD1-CE 4.46Å; Y361-M377 HydrophobicContact CE1-CE 3.72Å; Y361-M377 HydrophobicContact CE1-CG 4.27Å; Y361-M377 HydrophobicContact CE1-SD 3.75Å; V369-M377 HydrophobicContact CB-CG 4.4Å; V369-M377 HydrophobicContact CG1-CE 4.26Å; V369-M377 HydrophobicContact CG1-CG 4.14Å; V369-M377 HydrophobicContact CG2-CB 4.31Å; V369-M377 HydrophobicContact CG2-CG 3.6Å; V369-M377 WeakPolarHBondContact O-CE 3.42Å; I374-M377 WeakPolarHBondContact O-CA 3.45Å; I374-M377 WeakPolarHBondContact O-CB 3.03Å; I374-M377 PolarHBondContact O-N 3.32Å; E375-M377 VanDerWaalsContact C-N 3.27Å; E375-M377 PolarHBondContact O-N 3.18Å; M377-S379 PolarHBondContact O-N 3.11Å; M377-H380 VanDerWaalsContact O-CB 3.25Å; M377-H380 WeakPolarHBondContact O-CB 3.33Å; M377-H380 PolarHBondContact O-N 3.46Å; M377-F383 WeakPolarHBondContact O-CD2 3.44Å
378	K	95.6	Very high	94.2	Very high	59 Å²	59	46.3 Å²	46.3	26%	0.257	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-31	-174	-64.4	-176.7	178.9	172.6	0	113.3	I374 E375 W388	I374-K378 HydrophobicContact CG1-CG 4.35Å; I374-K378 PolarHBondContact O-N 3.31Å; E375-K378 PolarHBondContact O-N 2.83Å; K378-W388 HydrophobicContact CB-CD2 4.2Å; K378-W388 HydrophobicContact CB-CG 4.48Å; K378-W388 HydrophobicContact CB-CZ2 4.02Å; K378-W388 HydrophobicContact CD-CD2 4.01Å; K378-W388 HydrophobicContact CD-CE3 4.27Å; K378-W388 HydrophobicContact CD-CG 4.14Å; K378-W388 HydrophobicContact CG-CD2 3.74Å; K378-W388 HydrophobicContact CG-CE3 4.01Å; K378-W388 HydrophobicContact CG-CG 4.25Å; K378-W388 HydrophobicContact CG-CH2 4.11Å; K378-W388 HydrophobicContact CG-CZ2 3.87Å; K378-W388 HydrophobicContact CG-CZ3 4.17Å; K378-W388 PolarHBondContact O-NE1 3.11Å
379	S	96	Very high	94.1	Very high	96 Å²	96	54 Å²	54	67%	0.671	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-4	179.3	60.5	0	0	0	0	114.4	E375 E376 M377	E375-S379 VanDerWaalsContact O-CB 3.27Å; E375-S379 WeakPolarHBondContact O-CB 3.14Å; E375-S379 PolarHBondContact O-N 3.25Å; E375-S379 PolarHBondContact O-OG 2.81Å; E376-S379 PolarHBondContact O-OG 3.16Å; M377-S379 PolarHBondContact O-N 3.11Å
380	H	97.8	Very high	94.3	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.065	31%	0.314	C	S	.	.	S	Bend	trans	-63.8	140.1	179.5	-170.2	-91.4	0	0	0	111.2	R353 D356 L357 M377 F382 F383	R353-H380 PolarHBondContact O-CE1 3.12Å; D356-H380 IonicContact OD2-CE1 2.75Å; D356-H380 IonicContact OD2-NE2 3.05Å; D356-H380 PolarHBondContact OD2-NE2 3.31Å; L357-H380 HydrophobicContact CD1-CB 4.3Å; M377-H380 VanDerWaalsContact O-CB 3.25Å; M377-H380 WeakPolarHBondContact O-CB 3.33Å; M377-H380 PolarHBondContact O-N 3.46Å; H380-F382 VanDerWaalsContact ND1-CB 3.29Å; H380-F382 WeakPolarHBondContact ND1-CB 3.46Å; H380-F382 PolarHBondContact ND1-N 2.9Å; H380-F382 VanDerWaalsContact ND1-N 3.13Å; H380-F382 PolarHBondContact O-N 3.35Å; H380-F383 HydrophobicContact CB-CD2 4.11Å; H380-F383 PolarHBondContact O-N 3.27Å
381	A	97.8	Very high	94.5	Very high	45 Å²	45	57.4 Å²	57.4	37%	0.372	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-60	-20.9	-175.7	0	0	0	0	0	114.2	R353 F383 E384	R353-A381 HydrophobicContact CG-CB 4.42Å; R353-A381 PolarHBondContact NH1-O 3.4Å; A381-F383 PolarHBondContact O-N 3.02Å; A381-E384 PolarHBondContact O-N 3.14Å
382	F	98.3	Very high	94.8	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.026	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-65	-25.9	171.4	-176.2	-103.9	0	0	0	112.7	E187 T190 Q191 M313 R353 A354 L357 H380	E187-F382 HydrophobicContact CB-CE2 4.4Å; T190-F382 HydrophobicContact CG2-CZ 4.33Å; Q191-F382 HydrophobicContact CB-CE1 3.76Å; Q191-F382 HydrophobicContact CB-CZ 3.82Å; Q191-F382 HydrophobicContact CG-CD1 4.45Å; Q191-F382 HydrophobicContact CG-CE1 4.14Å; Q191-F382 PolarHBondContact NE2-O 3.28Å; M313-F382 HydrophobicContact CE-CD1 3.87Å; M313-F382 HydrophobicContact CE-CD2 4.12Å; M313-F382 HydrophobicContact CE-CE1 3.52Å; M313-F382 HydrophobicContact CE-CE2 3.84Å; M313-F382 HydrophobicContact CE-CG 4.15Å; M313-F382 HydrophobicContact CE-CZ 3.53Å; M313-F382 HydrophobicContact SD-CE1 4.4Å; R353-F382 HydrophobicContact CB-CB 4.35Å; R353-F382 HydrophobicContact CB-CD2 4.34Å; A354-F382 HydrophobicContact CB-CD2 4.04Å; A354-F382 HydrophobicContact CB-CE2 3.84Å; L357-F382 HydrophobicContact CB-CB 4.39Å; L357-F382 HydrophobicContact CD2-CB 3.82Å; L357-F382 HydrophobicContact CD2-CD1 3.41Å; L357-F382 VanDerWaalsContact CD2-CD1 3.41Å; L357-F382 HydrophobicContact CD2-CE1 4.23Å; L357-F382 HydrophobicContact CD2-CG 3.85Å; H380-F382 VanDerWaalsContact ND1-CB 3.29Å; H380-F382 WeakPolarHBondContact ND1-CB 3.46Å; H380-F382 PolarHBondContact ND1-N 2.9Å; H380-F382 VanDerWaalsContact ND1-N 3.13Å; H380-F382 PolarHBondContact O-N 3.35Å
383	F	98.1	Very high	95.1	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.013	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-105.2	13.9	179.7	-57.7	-68.3	0	0	0	113.8	Q191 I194 A195 L357 M377 H380 A381 P385 V386 W388	Q191-F383 HydrophobicContact CG-CD1 3.97Å; I194-F383 HydrophobicContact CB-CE1 4.32Å; I194-F383 HydrophobicContact CB-CZ 4.47Å; I194-F383 HydrophobicContact CG2-CE1 4Å; I194-F383 HydrophobicContact CG2-CZ 3.67Å; A195-F383 HydrophobicContact CB-CD1 4.1Å; A195-F383 HydrophobicContact CB-CE1 4.05Å; L357-F383 HydrophobicContact CD1-CE2 4.33Å; L357-F383 HydrophobicContact CD2-CD2 4.24Å; L357-F383 HydrophobicContact CD2-CE1 4.45Å; L357-F383 HydrophobicContact CD2-CE2 3.41Å; L357-F383 VanDerWaalsContact CD2-CE2 3.41Å; L357-F383 HydrophobicContact CD2-CZ 3.53Å; M377-F383 WeakPolarHBondContact O-CD2 3.44Å; H380-F383 HydrophobicContact CB-CD2 4.11Å; H380-F383 PolarHBondContact O-N 3.27Å; A381-F383 PolarHBondContact O-N 3.02Å; F383-P385 VanDerWaalsContact C-N 3.32Å; F383-P385 VanDerWaalsContact O-N 3.15Å; F383-V386 HydrophobicContact CB-CB 4.24Å; F383-V386 HydrophobicContact CB-CG2 3.99Å; F383-V386 HydrophobicContact CD1-CG2 4.05Å; F383-V386 VanDerWaalsContact O-CB 3.3Å; F383-V386 WeakPolarHBondContact O-CB 3.22Å; F383-V386 PolarHBondContact O-N 3.47Å; F383-W388 HydrophobicContact CB-CZ2 3.75Å; F383-W388 HydrophobicContact CD1-CH2 4.26Å; F383-W388 AromaticContact CD1-CZ2 3.95Å; F383-W388 HydrophobicContact CD1-CZ2 3.95Å; F383-W388 HydrophobicContact CD2-CH2 4.43Å; F383-W388 AromaticContact CD2-CZ2 3.93Å; F383-W388 HydrophobicContact CD2-CZ2 3.93Å; F383-W388 HydrophobicContact CE1-CH2 4.39Å; F383-W388 HydrophobicContact CE2-CZ2 4.47Å; F383-W388 HydrophobicContact CG-CH2 4.27Å; F383-W388 AromaticContact CG-CZ2 3.63Å; F383-W388 HydrophobicContact CG-CZ2 3.63Å
384	E	95.1	Very high	95.1	Very high	138 Å²	138	62.2 Å²	62.2	65%	0.645	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-41.9	-179.3	-175.3	175.6	-164.2	0	0	115.1	R353 A381 V386	R353-E384 IonicContact CZ-OE2 3.85Å; R353-E384 VanDerWaalsContact CZ-OE2 3.31Å; R353-E384 IonicContact NH1-OE2 3.63Å; R353-E384 PolarHBondContact NH1-OE2 2.97Å; R353-E384 IonicContact NH2-OE2 2.71Å; R353-E384 PolarHBondContact NH2-OE2 3.01Å; A381-E384 PolarHBondContact O-N 3.14Å; E384-V386 VanDerWaalsContact C-N 3.35Å
385	P	93.6	Very high	95.2	Very high	91 Å²	91	67 Å²	67	59%	0.591	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	0.3	179.4	36.2	-37.8	0	0	0	114.4	F383	F383-P385 VanDerWaalsContact C-N 3.32Å; F383-P385 VanDerWaalsContact O-N 3.15Å
386	V	96.6	Very high	95.2	Very high	23 Å²	23	62.7 Å²	62.7	14%	0.139	32%	0.324	C	S	.	.			trans	-79.7	124.3	-173.2	177.6	0	0	0	0	111.1	Q191 A195 F383 E384 W388 I391	Q191-V386 HydrophobicContact CG-CG2 3.63Å; A195-V386 HydrophobicContact CB-CG1 3.89Å; A195-V386 HydrophobicContact CB-CG2 4.34Å; F383-V386 HydrophobicContact CB-CB 4.24Å; F383-V386 HydrophobicContact CB-CG2 3.99Å; F383-V386 HydrophobicContact CD1-CG2 4.05Å; F383-V386 VanDerWaalsContact O-CB 3.3Å; F383-V386 WeakPolarHBondContact O-CB 3.22Å; F383-V386 PolarHBondContact O-N 3.47Å; E384-V386 VanDerWaalsContact C-N 3.35Å; V386-W388 HydrophobicContact CG1-CD2 3.91Å; V386-W388 HydrophobicContact CG1-CE3 4.44Å; V386-W388 HydrophobicContact CG1-CG 4.15Å; V386-W388 HydrophobicContact CG1-CZ2 4.26Å; V386-W388 PolarHBondContact O-N 3.04Å; V386-I391 HydrophobicContact CG1-CD1 4.08Å
387	D	96.1	Very high	95.3	Very high	41 Å²	41	61.3 Å²	61.3	22%	0.219	33%	0.326	C	S	.	.			trans	-87.8	97.3	166.6	-178.5	-16.4	0	0	0	109.5	E389 H390 I391 R394	D387-E389 PolarHBondContact O-N 3.09Å; D387-E389 PolarHBondContact OD1-N 3.17Å; D387-H390 PolarHBondContact O-N 2.98Å; D387-H390 IonicContact OD1-CG 3.22Å; D387-H390 PolarHBondContact OD1-N 2.73Å; D387-H390 IonicContact OD1-ND1 3.09Å; D387-H390 PolarHBondContact OD1-ND1 3.02Å; D387-H390 VanDerWaalsContact OD1-ND1 3.11Å; D387-H390 WeakPolarHBondContact OD2-CB 3.34Å; D387-H390 IonicContact OD2-CG 2.66Å; D387-H390 IonicContact OD2-ND1 3.58Å; D387-H390 PolarHBondContact OD2-ND1 2.78Å; D387-I391 WeakPolarHBondContact O-CA 3.46Å; D387-I391 VanDerWaalsContact O-CB 3.28Å; D387-I391 WeakPolarHBondContact O-CB 3.13Å; D387-I391 PolarHBondContact O-N 2.75Å; D387-R394 IonicContact OD2-CZ 3.44Å; D387-R394 IonicContact OD2-NE 3.92Å; D387-R394 IonicContact OD2-NH2 2.71Å; D387-R394 PolarHBondContact OD2-NH2 2.99Å
388	W	96.3	Very high	95.4	Very high	42 Å²	42	62.8 Å²	62.8	16%	0.159	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17	-177	-67.6	96.3	0	0	0	114.5	A195 V198 L199 K378 F383 V386	A195-W388 HydrophobicContact CB-CE3 4.49Å; A195-W388 HydrophobicContact CB-CH2 3.69Å; A195-W388 HydrophobicContact CB-CZ2 4.27Å; A195-W388 HydrophobicContact CB-CZ3 3.82Å; A195-W388 VanDerWaalsContact O-CZ3 3.26Å; A195-W388 WeakPolarHBondContact O-CZ3 3.44Å; V198-W388 HydrophobicContact CB-CH2 4.07Å; V198-W388 HydrophobicContact CB-CZ3 3.92Å; V198-W388 HydrophobicContact CG1-CH2 3.98Å; V198-W388 HydrophobicContact CG1-CZ3 3.8Å; V198-W388 HydrophobicContact CG2-CH2 4.44Å; L199-W388 HydrophobicContact CD1-CE3 4.08Å; L199-W388 HydrophobicContact CD2-CE3 3.8Å; L199-W388 HydrophobicContact CD2-CZ3 4.27Å; L199-W388 HydrophobicContact CG-CE3 3.8Å; L199-W388 HydrophobicContact CG-CZ3 4.02Å; K378-W388 HydrophobicContact CB-CD2 4.2Å; K378-W388 HydrophobicContact CB-CG 4.48Å; K378-W388 HydrophobicContact CB-CZ2 4.02Å; K378-W388 HydrophobicContact CD-CD2 4.01Å; K378-W388 HydrophobicContact CD-CE3 4.27Å; K378-W388 HydrophobicContact CD-CG 4.14Å; K378-W388 HydrophobicContact CG-CD2 3.74Å; K378-W388 HydrophobicContact CG-CE3 4.01Å; K378-W388 HydrophobicContact CG-CG 4.25Å; K378-W388 HydrophobicContact CG-CH2 4.11Å; K378-W388 HydrophobicContact CG-CZ2 3.87Å; K378-W388 HydrophobicContact CG-CZ3 4.17Å; K378-W388 PolarHBondContact O-NE1 3.11Å; F383-W388 HydrophobicContact CB-CZ2 3.75Å; F383-W388 HydrophobicContact CD1-CH2 4.26Å; F383-W388 AromaticContact CD1-CZ2 3.95Å; F383-W388 HydrophobicContact CD1-CZ2 3.95Å; F383-W388 HydrophobicContact CD2-CH2 4.43Å; F383-W388 AromaticContact CD2-CZ2 3.93Å; F383-W388 HydrophobicContact CD2-CZ2 3.93Å; F383-W388 HydrophobicContact CE1-CH2 4.39Å; F383-W388 HydrophobicContact CE2-CZ2 4.47Å; F383-W388 HydrophobicContact CG-CH2 4.27Å; F383-W388 AromaticContact CG-CZ2 3.63Å; F383-W388 HydrophobicContact CG-CZ2 3.63Å; V386-W388 HydrophobicContact CG1-CD2 3.91Å; V386-W388 HydrophobicContact CG1-CE3 4.44Å; V386-W388 HydrophobicContact CG1-CG 4.15Å; V386-W388 HydrophobicContact CG1-CZ2 4.26Å; V386-W388 PolarHBondContact O-N 3.04Å
389	E	94.3	Very high	95.2	Very high	163 Å²	163	64.7 Å²	64.7	76%	0.762	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-42	179.7	-66.8	-177.9	171.7	0	0	110.9	D387	D387-E389 PolarHBondContact O-N 3.09Å; D387-E389 PolarHBondContact OD1-N 3.17Å
390	H	95.3	Very high	95.1	Very high	74 Å²	74	61.4 Å²	61.4	34%	0.343	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	7.4	-171.2	-47.5	90.7	0	0	0	114.1	D387 R392 E393 R394	D387-H390 PolarHBondContact O-N 2.98Å; D387-H390 IonicContact OD1-CG 3.22Å; D387-H390 PolarHBondContact OD1-N 2.73Å; D387-H390 IonicContact OD1-ND1 3.09Å; D387-H390 PolarHBondContact OD1-ND1 3.02Å; D387-H390 VanDerWaalsContact OD1-ND1 3.11Å; D387-H390 WeakPolarHBondContact OD2-CB 3.34Å; D387-H390 IonicContact OD2-CG 2.66Å; D387-H390 IonicContact OD2-ND1 3.58Å; D387-H390 PolarHBondContact OD2-ND1 2.78Å; H390-R392 PolarHBondContact O-N 3.49Å; H390-R392 VanDerWaalsContact O-N 3.1Å; H390-E393 IonicContact CD2-OE2 3.31Å; H390-E393 PolarHBondContact CD2-OE2 2.83Å; H390-E393 PolarHBondContact O-N 3.22Å; H390-R394 WeakPolarHBondContact O-CG 3.28Å; H390-R394 PolarHBondContact O-N 3.27Å
391	I	95.8	Very high	94.7	Very high	12 Å²	12	68.9 Å²	68.9	6%	0.062	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-38.8	-177.4	-170.7	168.7	0	0	0	113	W149 F192 A195 E196 L199 V386 D387 E393	W149-I391 HydrophobicContact CH2-CG2 4.29Å; F192-I391 HydrophobicContact CD2-CD1 4.06Å; F192-I391 HydrophobicContact CD2-CG1 3.96Å; F192-I391 HydrophobicContact CE2-CD1 4.22Å; F192-I391 HydrophobicContact CE2-CG1 3.7Å; A195-I391 HydrophobicContact CB-CD1 3.7Å; E196-I391 HydrophobicContact CG-CD1 3.72Å; E196-I391 HydrophobicContact CG-CG1 4.04Å; E196-I391 HydrophobicContact CG-CG2 4.46Å; L199-I391 HydrophobicContact CD1-CG2 3.7Å; V386-I391 HydrophobicContact CG1-CD1 4.08Å; D387-I391 WeakPolarHBondContact O-CA 3.46Å; D387-I391 VanDerWaalsContact O-CB 3.28Å; D387-I391 WeakPolarHBondContact O-CB 3.13Å; D387-I391 PolarHBondContact O-N 2.75Å; I391-E393 VanDerWaalsContact C-N 3.34Å
392	R	94.4	Very high	94.5	Very high	36 Å²	36	69.5 Å²	69.5	14%	0.136	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-15.8	-177.9	-152.1	-179.8	-176.7	85.4	13.4	113.9	A148 W149 D222 R224 H226 V227 H390	A148-R392 PolarHBondContact O-NE 3.28Å; A148-R392 PolarHBondContact O-NH1 3.2Å; A148-R392 PolarHBondContact O-NH2 3.44Å; W149-R392 HydrophobicContact CH2-CB 4.28Å; W149-R392 HydrophobicContact CH2-CG 4.44Å; D222-R392 IonicContact OD2-NH2 2.98Å; D222-R392 PolarHBondContact OD2-NH2 3.25Å; R224-R392 PolarHBondContact NH1-O 3.28Å; R224-R392 PolarHBondContact NH2-O 3.45Å; H226-R392 HydrophobicContact CB-CG 4.28Å; H226-R392 PolarHBondContact CE1-O 3.29Å; H226-R392 PolarHBondContact NE2-O 2.99Å; V227-R392 PolarHBondContact O-NH1 2.96Å; V227-R392 PolarHBondContact O-NH2 3.41Å; H390-R392 PolarHBondContact O-N 3.49Å; H390-R392 VanDerWaalsContact O-N 3.1Å
393	E	92.2	Very high	94.2	Very high	142 Å²	142	78.9 Å²	78.9	66%	0.664	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-19.5	178.4	-61	179.1	176.8	0	0	111.6	H390 I391	H390-E393 IonicContact CD2-OE2 3.31Å; H390-E393 PolarHBondContact CD2-OE2 2.83Å; H390-E393 PolarHBondContact O-N 3.22Å; I391-E393 VanDerWaalsContact C-N 3.34Å
394	R	90.3	Very high	93.8	Very high	126 Å²	126	81.2 Å²	81.2	48%	0.475	42%	0.418	S	S	.	.	S	Bend	trans	-83.5	164.3	176.8	-65.4	175.5	-176.9	-161.2	0.7	111.5	R224 H226 D387 H390	R224-R394 PolarHBondContact NH2-O 3.33Å; H226-R394 PolarHBondContact CE1-O 3.41Å; H226-R394 PolarHBondContact NE2-O 2.85Å; H226-R394 VanDerWaalsContact NE2-O 3.13Å; D387-R394 IonicContact OD2-CZ 3.44Å; D387-R394 IonicContact OD2-NE 3.92Å; D387-R394 IonicContact OD2-NH2 2.71Å; D387-R394 PolarHBondContact OD2-NH2 2.99Å; H390-R394 WeakPolarHBondContact O-CG 3.28Å; H390-R394 PolarHBondContact O-N 3.27Å
395	P	94.4	Very high	93.5	Very high	118 Å²	118	80.8 Å²	80.8	77%	0.766	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-59.6	139.4	170.6	-22.6	34.3	0	0	0	111.4
396	A	95.1	Very high	93.4	Very high	12 Å²	12	79.8 Å²	79.8	10%	0.099	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-69.2	156.2	174.2	0	0	0	0	0	111.9	F192 R224 G225 I398	F192-A396 HydrophobicContact CE1-CB 3.78Å; F192-A396 VanDerWaalsContact CZ-CA 3.46Å; F192-A396 HydrophobicContact CZ-CB 3.7Å; R224-A396 VanDerWaalsContact O-CB 3.26Å; R224-A396 WeakPolarHBondContact O-CB 3.3Å; G225-A396 WeakPolarHBondContact O-CB 3.16Å; A396-I398 PolarHBondContact O-N 3.18Å
397	A	95.7	Very high	93.2	Very high	47 Å²	47	79.6 Å²	79.6	39%	0.388	41%	0.407	S	S	.	.	S	Bend	trans	-60.5	-32.4	-179.3	0	0	0	0	0	113.6	A189 F192	A189-A397 HydrophobicContact CB-CB 4.04Å; F192-A397 HydrophobicContact CB-CB 3.72Å; F192-A397 HydrophobicContact CD1-CB 3.78Å; F192-A397 HydrophobicContact CG-CB 3.75Å
398	I	94.8	Very high	93	Very high	31 Å²	31	78.6 Å²	78.6	16%	0.159	40%	0.402	C	S	.	.	S	Bend	trans	-124.5	122.2	174.1	-52.9	177.8	0	0	0	108.3	L178 L185 Y193 A396	L178-I398 HydrophobicContact CD1-CD1 4.21Å; L178-I398 HydrophobicContact CD2-CD1 4.1Å; L185-I398 HydrophobicContact CD2-CD1 3.95Å; Y193-I398 HydrophobicContact CE2-CD1 3.98Å; Y193-I398 HydrophobicContact CE2-CG1 4.17Å; Y193-I398 VanDerWaalsContact OH-CB 3.3Å; Y193-I398 WeakPolarHBondContact OH-CB 3.15Å; A396-I398 PolarHBondContact O-N 3.18Å
399	S	91.8	Very high	92.8	Very high	98 Å²	98	79.8 Å²	79.8	69%	0.685	42%	0.417	S	S	*	.			trans	-72.1	136.4	174.5	-64.4	0	0	0	0	110.8
400	I	92.8	Very high	92.7	Very high	27 Å²	27	73.2 Å²	73.2	14%	0.138	39%	0.387	C	S	.	.			trans	-88.6	118.1	176.8	-61.4	-57.9	0	0	0	109.2	L221 G225 I402	L221-I400 HydrophobicContact CB-CD1 4.37Å; L221-I400 HydrophobicContact CD1-CD1 4.09Å; G225-I400 VanDerWaalsContact CA-CG1 3.43Å; I400-I402 HydrophobicContact CG2-CG2 3.73Å; I400-I402 PolarHBondContact O-N 3.14Å
401	E	91.2	Very high	92.5	Very high	172 Å²	172	71.2 Å²	71.2	80%	0.804	38%	0.377	S	S	*	.			trans	-87.2	108.9	175.6	-66	-178.8	-164.5	0	0	109.5
402	I	92.1	Very high	91.9	Very high	58 Å²	58	71.8 Å²	71.8	30%	0.297	38%	0.38	S	S	.	.			trans	-132.9	142.7	176.3	52.4	168.9	0	0	0	110.2	P171 I400 D407	P171-I402 HydrophobicContact CB-CD1 4.33Å; P171-I402 HydrophobicContact CB-CG2 3.99Å; P171-I402 HydrophobicContact CG-CD1 3.81Å; P171-I402 HydrophobicContact CG-CG2 4.46Å; I400-I402 HydrophobicContact CG2-CG2 3.73Å; I400-I402 PolarHBondContact O-N 3.14Å; I402-D407 WeakPolarHBondContact CA-OD2 3.45Å; I402-D407 HydrophobicContact CB-CB 4.19Å; I402-D407 HydrophobicContact CG2-CB 4.29Å
403	K	91.6	Very high	91.5	Very high	202 Å²	202	78.1 Å²	78.1	88%	0.878	41%	0.412	S	S	*	.	S	Bend	trans	-97.4	-24	-176.9	-62	177.7	-175.8	174.1	0	113.1	D407	K403-D407 PolarHBondContact N-OD2 3.06Å
404	S	91.4	Very high	91	Very high	52 Å²	52	73.1 Å²	73.1	36%	0.364	39%	0.388	S	S	.	.	S	Bend	trans	-154.4	169.3	-177.1	61.4	0	0	0	0	111.5	D406 D407	S404-D406 WeakPolarHBondContact CB-OD1 3.42Å; S404-D406 PolarHBondContact O-N 3.22Å; S404-D406 PolarHBondContact OG-OD1 3.07Å; S404-D407 VanDerWaalsContact O-CB 3.31Å; S404-D407 WeakPolarHBondContact O-CB 3.36Å; S404-D407 PolarHBondContact O-N 3.38Å; S404-D407 PolarHBondContact OG-N 2.79Å
405	I	88.6	Confident	90.6	Very high	130 Å²	130	71.4 Å²	71.4	67%	0.667	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.7	-179.3	60	168.3	0	0	0	113.6	I115 F169	I115-I405 HydrophobicContact CG1-CD1 3.95Å; I115-I405 HydrophobicContact CG1-CG1 4.24Å; F169-I405 WeakPolarHBondContact CD1-O 3.16Å
406	D	90	Very high	89.9	Confident	70 Å²	70	71.6 Å²	71.6	37%	0.374	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	13.4	179.2	61.4	-20.8	0	0	0	111.9	L106 I115 S404 T408	L106-D406 HydrophobicContact CD2-CB 3.99Å; I115-D406 HydrophobicContact CD1-CB 4.28Å; I115-D406 HydrophobicContact CG1-CB 4.37Å; S404-D406 WeakPolarHBondContact CB-OD1 3.42Å; S404-D406 PolarHBondContact O-N 3.22Å; S404-D406 PolarHBondContact OG-OD1 3.07Å; D406-T408 PolarHBondContact O-N 2.68Å
407	D	92.3	Very high	89	Confident	19 Å²	19	71.9 Å²	71.9	10%	0.102	39%	0.385	C	S	.	.			trans	-63.1	125.9	178.6	-167.2	-22.8	0	0	0	110.6	F169 I402 K403 S404 S409	F169-D407 WeakPolarHBondContact CZ-O 3.39Å; I402-D407 WeakPolarHBondContact CA-OD2 3.45Å; I402-D407 HydrophobicContact CB-CB 4.19Å; I402-D407 HydrophobicContact CG2-CB 4.29Å; K403-D407 PolarHBondContact N-OD2 3.06Å; S404-D407 VanDerWaalsContact O-CB 3.31Å; S404-D407 WeakPolarHBondContact O-CB 3.36Å; S404-D407 PolarHBondContact O-N 3.38Å; S404-D407 PolarHBondContact OG-N 2.79Å; D407-S409 WeakPolarHBondContact OD1-CB 3.39Å; D407-S409 PolarHBondContact OD1-N 3.06Å; D407-S409 PolarHBondContact OD1-OG 2.96Å; D407-S409 PolarHBondContact OD2-OG 2.98Å
408	T	93.4	Very high	88	Confident	19 Å²	19	74.8 Å²	74.8	12%	0.117	39%	0.394	C	S	.	.			trans	-115.2	16.7	179.7	55.1	0	0	0	0	112.9	K94 I96 L106 F169 D406 N410 F411	K94-T408 HydrophobicContact CD-CG2 4.19Å; K94-T408 WeakPolarHBondContact CD-OG1 3.49Å; K94-T408 PolarHBondContact NZ-OG1 3.01Å; I96-T408 HydrophobicContact CG2-CG2 3.71Å; L106-T408 HydrophobicContact CD2-CG2 3.79Å; F169-T408 HydrophobicContact CZ-CG2 4.2Å; D406-T408 PolarHBondContact O-N 2.68Å; T408-N410 PolarHBondContact O-N 2.84Å; T408-F411 PolarHBondContact O-N 3.33Å
409	S	92.2	Very high	87.2	Confident	68 Å²	68	74 Å²	74	48%	0.476	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17	-179.5	60.9	0	0	0	0	114.1	K181 D407	K181-S409 PolarHBondContact NZ-O 3Å; D407-S409 WeakPolarHBondContact OD1-CB 3.39Å; D407-S409 PolarHBondContact OD1-N 3.06Å; D407-S409 PolarHBondContact OD1-OG 2.96Å; D407-S409 PolarHBondContact OD2-OG 2.98Å
410	N	92.1	Very high	86.3	Confident	25 Å²	25	71.6 Å²	71.6	13%	0.134	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.5	172	-65	-45.2	0	0	0	114.5	P171 T177 K181 T408	P171-N410 WeakPolarHBondContact O-CB 3.43Å; P171-N410 PolarHBondContact O-ND2 2.93Å; T177-N410 WeakPolarHBondContact CG2-O 3.42Å; K181-N410 PolarHBondContact NZ-OD1 2.8Å; T408-N410 PolarHBondContact O-N 2.84Å
411	F	89.6	Confident	85.2	Confident	32 Å²	32	75.6 Å²	75.6	14%	0.14	39%	0.387	C	S	.	.	S	Bend	trans	-114.5	150.8	176.7	-63.9	-94.5	0	0	0	110.7	I96 F169 L170 T408	I96-F411 HydrophobicContact CB-CD1 3.95Å; I96-F411 HydrophobicContact CB-CE1 4.34Å; I96-F411 HydrophobicContact CB-CG 4.18Å; I96-F411 HydrophobicContact CD1-CE1 4.4Å; I96-F411 HydrophobicContact CG2-CG 4.49Å; I96-F411 WeakPolarHBondContact O-CD1 3.45Å; F169-F411 HydrophobicContact CD2-CZ 4.47Å; F169-F411 HydrophobicContact CE2-CD2 4.41Å; F169-F411 AromaticContact CE2-CE2 3.48Å; F169-F411 HydrophobicContact CE2-CE2 3.48Å; F169-F411 VanDerWaalsContact CE2-CE2 3.48Å; F169-F411 AromaticContact CE2-CZ 3.58Å; F169-F411 HydrophobicContact CE2-CZ 3.58Å; F169-F411 HydrophobicContact CZ-CD2 4.45Å; F169-F411 AromaticContact CZ-CE2 3.66Å; F169-F411 HydrophobicContact CZ-CE2 3.66Å; F169-F411 HydrophobicContact CZ-CZ 4.23Å; L170-F411 VanDerWaalsContact O-CZ 3.27Å; L170-F411 WeakPolarHBondContact O-CZ 3.16Å; T408-F411 PolarHBondContact O-N 3.33Å
412	D	85	Confident	83.6	Confident	23 Å²	23	73.5 Å²	73.5	12%	0.123	39%	0.388	C	S	.	.			trans	-65.3	152.3	169.4	-80.1	-33	0	0	0	111.5	R277 F414	R277-D412 VanDerWaalsContact CZ-CG 3.5Å; R277-D412 IonicContact CZ-OD1 3.7Å; R277-D412 IonicContact CZ-OD2 3.72Å; R277-D412 VanDerWaalsContact CZ-OD2 3.29Å; R277-D412 IonicContact NE-OD2 3.77Å; R277-D412 IonicContact NH1-OD1 3.76Å; R277-D412 PolarHBondContact NH1-OD1 3.03Å; R277-D412 IonicContact NH1-OD2 3.54Å; R277-D412 PolarHBondContact NH1-OD2 3.04Å; R277-D412 IonicContact NH2-OD1 2.77Å; R277-D412 PolarHBondContact NH2-OD1 3.19Å; R277-D412 IonicContact NH2-OD2 2.68Å; D412-F414 HydrophobicContact CB-CE2 3.94Å; D412-F414 HydrophobicContact CB-CZ 4.13Å; D412-F414 WeakPolarHBondContact O-CD2 3.08Å; D412-F414 VanDerWaalsContact O-CE2 3.29Å; D412-F414 WeakPolarHBondContact O-CE2 3.4Å
413	E	84.4	Confident	81.8	Confident	170 Å²	170	74.2 Å²	74.2	79%	0.794	40%	0.395	S	S	*	.			trans	-81.1	127.2	173.3	-66.7	-166.7	164.3	0	0	110.7
414	F	82.8	Confident	79.6	Confident	37 Å²	37	69.6 Å²	69.6	16%	0.162	39%	0.388	C	S	.	.			trans	-114.7	138.2	175.8	-63.6	-87.3	0	0	0	109.7	V95 I96 R98 Y281 D412	V95-F414 HydrophobicContact CB-CB 4.06Å; V95-F414 HydrophobicContact CG1-CB 3.81Å; V95-F414 HydrophobicContact CG1-CG 4.26Å; I96-F414 WeakPolarHBondContact O-CE2 3.46Å; R98-F414 HydrophobicContact CB-CD1 4.23Å; R98-F414 HydrophobicContact CB-CE1 4.09Å; R98-F414 HydrophobicContact CG-CD1 3.78Å; R98-F414 HydrophobicContact CG-CE1 4.15Å; R98-F414 HydrophobicContact CG-CG 4.42Å; Y281-F414 AromaticContact CE1-CE1 3.53Å; Y281-F414 HydrophobicContact CE1-CE1 3.53Å; Y281-F414 AromaticContact CE1-CZ 3.93Å; Y281-F414 HydrophobicContact CE1-CZ 3.93Å; Y281-F414 HydrophobicContact CE2-CE1 4.41Å; Y281-F414 AromaticContact CZ-CE1 3.44Å; Y281-F414 VanDerWaalsContact CZ-CE1 3.44Å; Y281-F414 AromaticContact CZ-CZ 3.86Å; Y281-F414 WeakPolarHBondContact OH-CE1 3.14Å; Y281-F414 WeakPolarHBondContact OH-CZ 3.14Å; D412-F414 HydrophobicContact CB-CE2 3.94Å; D412-F414 HydrophobicContact CB-CZ 4.13Å; D412-F414 WeakPolarHBondContact O-CD2 3.08Å; D412-F414 VanDerWaalsContact O-CE2 3.29Å; D412-F414 WeakPolarHBondContact O-CE2 3.4Å
415	P	82.2	Confident	77.3	Confident	89 Å²	89	75.1 Å²	75.1	58%	0.578	41%	0.414	S	S	*	.			trans	-63.3	157.6	170.1	25.3	-29.5	0	0	0	110.1	R98	R98-P415 PolarHBondContact NH2-O 3.1Å
416	E	78.1	Confident	75.3	Confident	123 Å²	123	73.4 Å²	73.4	58%	0.575	41%	0.409	S	S	*	.			trans	-59.3	157.6	169.9	-84.7	-66.3	156.2	0	0	111.1	R98 R105	R98-E416 PolarHBondContact NH2-O 2.99Å; R105-E416 IonicContact CZ-OE2 4Å; R105-E416 IonicContact NH1-OE2 3.5Å; R105-E416 PolarHBondContact NH1-OE2 3.02Å; R105-E416 VanDerWaalsContact NH1-OE2 3.13Å; R105-E416 IonicContact NH2-OE2 2.82Å; R105-E416 PolarHBondContact NH2-OE2 2.71Å
417	S	77.5	Confident	73.4	Confident	18 Å²	18	76.4 Å²	76.4	13%	0.126	43%	0.43	C	S	.	.			trans	-136.6	146.1	-174.5	143.5	0	0	0	0	110.3	E103 R105 I419	E103-S417 WeakPolarHBondContact OE2-CB 3.33Å; E103-S417 PolarHBondContact OE2-OG 2.94Å; R105-S417 PolarHBondContact NH2-O 2.73Å; R105-S417 VanDerWaalsContact NH2-O 3.1Å; S417-I419 PolarHBondContact O-N 3.34Å; S417-I419 PolarHBondContact OG-N 2.92Å
418	D	75.1	Confident	71.2	Confident	107 Å²	107	80.8 Å²	80.8	57%	0.572	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-77.9	6.2	-178.5	-55.4	-24.5	0	0	0	112.9	L420 Q421	D418-L420 PolarHBondContact O-N 3.42Å; D418-L420 VanDerWaalsContact O-N 3.12Å; D418-Q421 HydrophobicContact CB-CB 4.23Å; D418-Q421 HydrophobicContact CB-CG 4.27Å; D418-Q421 WeakPolarHBondContact O-CB 3.35Å; D418-Q421 PolarHBondContact O-N 3.22Å; D418-Q421 VanDerWaalsContact OD1-CD 3.24Å; D418-Q421 PolarHBondContact OD1-NE2 3.37Å; D418-Q421 PolarHBondContact OD1-OE1 3.44Å
419	I	76.1	Confident	69.1	Low	16 Å²	16	84.3 Å²	84.3	8%	0.082	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-59.6	-29.2	-176	-154.5	168.2	0	0	0	113	E103 I120 R122 S417	E103-I419 HydrophobicContact CG-CD1 4.14Å; E103-I419 HydrophobicContact CG-CG2 3.88Å; E103-I419 WeakPolarHBondContact OE1-CG2 3.45Å; I120-I419 HydrophobicContact CB-CD1 4.32Å; I120-I419 HydrophobicContact CD1-CG2 3.98Å; I120-I419 HydrophobicContact CG2-CD1 3.9Å; I120-I419 HydrophobicContact CG2-CG1 4.23Å; R122-I419 HydrophobicContact CG-CD1 4.01Å; R122-I419 HydrophobicContact CG-CG1 4.31Å; S417-I419 PolarHBondContact O-N 3.34Å; S417-I419 PolarHBondContact OG-N 2.92Å
420	L	74.5	Confident	67	Low	46 Å²	46	86.7 Å²	86.7	24%	0.241	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-96.4	-5.8	176.8	-64.4	-170.2	0	0	0	112.7	L87 R105 M118 I120 Y164 D418	L87-L420 HydrophobicContact CD1-CD2 4.15Å; L87-L420 HydrophobicContact CD2-CD2 3.89Å; R105-L420 VanDerWaalsContact CZ-CD1 3.5Å; M118-L420 HydrophobicContact CE-CD1 4.42Å; I120-L420 HydrophobicContact CD1-CD1 4.39Å; I120-L420 HydrophobicContact CD1-CD2 3.68Å; I120-L420 HydrophobicContact CD1-CG 4.11Å; Y164-L420 HydrophobicContact CE1-CD2 4.4Å; D418-L420 PolarHBondContact O-N 3.42Å; D418-L420 VanDerWaalsContact O-N 3.12Å
421	Q	68.4	Low	65.1	Low	111 Å²	111	92.1 Å²	92.1	52%	0.519	50%	0.503	S	S	.	.	S	Bend	trans	-74.3	137.8	180	-73.1	-175.8	16.7	0	0	111.3	D418 V423	D418-Q421 HydrophobicContact CB-CB 4.23Å; D418-Q421 HydrophobicContact CB-CG 4.27Å; D418-Q421 WeakPolarHBondContact O-CB 3.35Å; D418-Q421 PolarHBondContact O-N 3.22Å; D418-Q421 VanDerWaalsContact OD1-CD 3.24Å; D418-Q421 PolarHBondContact OD1-NE2 3.37Å; D418-Q421 PolarHBondContact OD1-OE1 3.44Å; Q421-V423 PolarHBondContact O-N 3.13Å
422	P	57.7	Low	63.3	Low	128 Å²	128	92.1 Å²	92.1	83%	0.831	51%	0.507	S	S	*	.			trans	-70.4	100.3	172.1	27	-30.5	0	0	0	109.9	S424	P422-S424 PolarHBondContact O-N 3.47Å
423	V	54.8	Low	62.1	Low	74 Å²	74	96.7 Å²	96.7	45%	0.448	53%	0.526	S	S	.	.			trans	-71.7	119.9	175.7	-164.5	0	0	0	0	110.1	R161 Q421 V426	R161-V423 VanDerWaalsContact NH1-CB 3.32Å; R161-V423 PolarHBondContact NH2-O 3.07Å; R161-V423 VanDerWaalsContact NH2-O 3.11Å; Q421-V423 PolarHBondContact O-N 3.13Å; V423-V426 HydrophobicContact CB-CG2 4.47Å; V423-V426 HydrophobicContact CG1-CG2 3.89Å
424	S	44.7	Very low	61.1	Low	105 Å²	105	91.9 Å²	91.9	73%	0.734	51%	0.505	S	S	*	.	S	Bend	trans	-69.8	124.3	167.8	49.4	0	0	0	0	110.7	P422	P422-S424 PolarHBondContact O-N 3.47Å
425	N	43.9	Very low	60.3	Low	167 Å²	167	95.4 Å²	95.4	89%	0.893	52%	0.518	S	S	*	.			trans	62.2	69.1	170.6	-64.3	-12.5	0	0	0	117.3
426	V	46.9	Very low	59.7	Low	95 Å²	95	92.5 Å²	92.5	58%	0.576	50%	0.498	S	S	*	.			trans	-112.6	131.7	153.4	-172	0	0	0	0	107.7	V423 E428	V423-V426 HydrophobicContact CB-CG2 4.47Å; V423-V426 HydrophobicContact CG1-CG2 3.89Å; V426-E428 PolarHBondContact O-N 2.88Å
427	T	48.8	Very low	59.5	Low	132 Å²	132	86.9 Å²	86.9	81%	0.81	47%	0.472	S	S	*	.			trans	-41.7	124	171.1	-7.8	0	0	0	0	109.1	P429	T427-P429 VanDerWaalsContact O-N 3.15Å
428	E	47.9	Very low	59	Low	111 Å²	111	88.5 Å²	88.5	52%	0.519	48%	0.479	S	S	.	.			trans	-50.6	125.8	-178	-76.9	-160.3	139.4	0	0	108.7	K160 V426 D430 K431	K160-E428 IonicContact NZ-OE1 3.48Å; V426-E428 PolarHBondContact O-N 2.88Å; E428-D430 PolarHBondContact O-N 3.4Å; E428-K431 IonicContact OE1-NZ 2.75Å; E428-K431 VanDerWaalsContact OE2-CE 3.25Å; E428-K431 WeakPolarHBondContact OE2-CE 3.47Å; E428-K431 IonicContact OE2-NZ 3.96Å; E428-K431 PolarHBondContact OE2-NZ 3.03Å
429	P	48	Very low	58.8	Low	93 Å²	93	86.8 Å²	86.8	60%	0.604	47%	0.47	S	S	*	.			trans	-56.2	138.7	172	22.4	-29.7	0	0	0	108.1	T427 K431	T427-P429 VanDerWaalsContact O-N 3.15Å; P429-K431 PolarHBondContact O-N 3.25Å
430	D	49	Very low	58.9	Low	119 Å²	119	86.4 Å²	86.4	64%	0.636	47%	0.467	S	S	*	.			trans	-51.1	112.9	-175.5	-175.9	10.5	0	0	0	110.4	E428 S432	E428-D430 PolarHBondContact O-N 3.4Å; D430-S432 PolarHBondContact O-N 3.06Å; D430-S432 WeakPolarHBondContact OD1-CB 3.41Å; D430-S432 PolarHBondContact OD1-N 3.27Å; D430-S432 PolarHBondContact OD1-OG 3.47Å; D430-S432 WeakPolarHBondContact OD2-CB 3.47Å; D430-S432 PolarHBondContact OD2-OG 3.26Å
431	K	52.4	Low	59.2	Low	139 Å²	139	88.1 Å²	88.1	60%	0.604	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-58.8	-11.6	179.7	-75.6	177	-179.6	145.2	0	112.5	E428 P429 K433	E428-K431 IonicContact OE1-NZ 2.75Å; E428-K431 VanDerWaalsContact OE2-CE 3.25Å; E428-K431 WeakPolarHBondContact OE2-CE 3.47Å; E428-K431 IonicContact OE2-NZ 3.96Å; E428-K431 PolarHBondContact OE2-NZ 3.03Å; P429-K431 PolarHBondContact O-N 3.25Å; K431-K433 PolarHBondContact O-N 2.75Å
432	S	50.8	Low	59.9	Low	31 Å²	31	85.4 Å²	85.4	22%	0.217	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-63.4	-19.1	-177.9	78.6	0	0	0	0	114.6	D430 W435	D430-S432 PolarHBondContact O-N 3.06Å; D430-S432 WeakPolarHBondContact OD1-CB 3.41Å; D430-S432 PolarHBondContact OD1-N 3.27Å; D430-S432 PolarHBondContact OD1-OG 3.47Å; D430-S432 WeakPolarHBondContact OD2-CB 3.47Å; D430-S432 PolarHBondContact OD2-OG 3.26Å; S432-W435 PolarHBondContact O-NE1 2.94Å
433	K	59.5	Low	60.9	Low	120 Å²	120	80.3 Å²	80.3	52%	0.522	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-113.2	1.9	-174.5	-63.1	-171.5	-177	179.8	0	116.4	L127 K431 W435 V436	L127-K433 HydrophobicContact CD1-CB 4.24Å; K431-K433 PolarHBondContact O-N 2.75Å; K433-W435 PolarHBondContact O-N 3.07Å; K433-V436 WeakPolarHBondContact O-CG2 3.46Å; K433-V436 PolarHBondContact O-N 3.03Å
434	D	64.2	Low	62.1	Low	68 Å²	68	77.7 Å²	77.7	36%	0.364	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-66.3	-21.1	-178.3	-111.4	-12.8	0	0	0	113.2	K123 V436 F437	K123-D434 IonicContact NZ-OD1 3.96Å; K123-D434 PolarHBondContact NZ-OD1 2.8Å; K123-D434 IonicContact NZ-OD2 3.06Å; D434-V436 PolarHBondContact O-N 2.98Å; D434-V436 VanDerWaalsContact O-N 3.15Å; D434-F437 PolarHBondContact O-N 3.3Å; D434-F437 VanDerWaalsContact O-N 3.08Å
435	W	66.3	Low	63.5	Low	111 Å²	111	73.9 Å²	73.9	42%	0.42	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-61.7	-20.6	177.6	67.9	-94.4	0	0	0	113.4	V23 L26 S432 K433 F437 L438	V23-W435 HydrophobicContact CG2-CB 3.92Å; V23-W435 HydrophobicContact CG2-CG 4.4Å; L26-W435 HydrophobicContact CD1-CE3 4.25Å; S432-W435 PolarHBondContact O-NE1 2.94Å; K433-W435 PolarHBondContact O-N 3.07Å; W435-F437 PolarHBondContact O-N 2.94Å; W435-L438 WeakPolarHBondContact O-CB 3.34Å; W435-L438 PolarHBondContact O-N 3.13Å; W435-L438 VanDerWaalsContact O-N 3.09Å
436	V	68.6	Low	64.6	Low	28 Å²	28	69.7 Å²	69.7	17%	0.17	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-68.9	-20.5	177.8	-160.6	0	0	0	0	111.1	V132 R136 K433 D434	V132-V436 HydrophobicContact CB-CG1 4.12Å; V132-V436 HydrophobicContact CG1-CB 4.34Å; V132-V436 HydrophobicContact CG1-CG1 3.45Å; V132-V436 VanDerWaalsContact CG1-CG1 3.45Å; V132-V436 HydrophobicContact CG2-CG1 4.32Å; R136-V436 PolarHBondContact NH2-O 3.3Å; K433-V436 WeakPolarHBondContact O-CG2 3.46Å; K433-V436 PolarHBondContact O-N 3.03Å; D434-V436 PolarHBondContact O-N 2.98Å; D434-V436 VanDerWaalsContact O-N 3.15Å
437	F	74.6	Confident	65.1	Low	5 Å²	5	65.5 Å²	65.5	2%	0.022	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-98.4	14.3	174	-52.9	-67.7	0	0	0	113	K123 M126 L127 V132 I135 Q158 L163 D434 W435 N439 Y440	K123-F437 HydrophobicContact CB-CE2 4.12Å; K123-F437 HydrophobicContact CB-CZ 4.43Å; K123-F437 HydrophobicContact CD-CD2 4.1Å; K123-F437 HydrophobicContact CD-CE2 4.11Å; K123-F437 HydrophobicContact CG-CD2 4.26Å; K123-F437 HydrophobicContact CG-CE2 3.91Å; K123-F437 HydrophobicContact CG-CZ 4.29Å; M126-F437 HydrophobicContact CB-CZ 4.28Å; L127-F437 HydrophobicContact CD1-CE2 4.3Å; L127-F437 HydrophobicContact CD2-CE2 4.31Å; L127-F437 HydrophobicContact CD2-CZ 4.25Å; L127-F437 HydrophobicContact CG-CE2 4.22Å; L127-F437 HydrophobicContact CG-CZ 4.17Å; V132-F437 HydrophobicContact CB-CE1 4.43Å; V132-F437 HydrophobicContact CG1-CD1 4.15Å; V132-F437 HydrophobicContact CG1-CE1 3.74Å; V132-F437 HydrophobicContact CG1-CZ 4.48Å; V132-F437 HydrophobicContact CG2-CE1 3.96Å; V132-F437 HydrophobicContact CG2-CZ 3.98Å; I135-F437 HydrophobicContact CD1-CE1 4.09Å; Q158-F437 PolarHBondContact NE2-O 3.33Å; L163-F437 HydrophobicContact CD1-CD1 3.71Å; L163-F437 HydrophobicContact CD1-CE1 3.67Å; L163-F437 HydrophobicContact CD1-CZ 4.46Å; L163-F437 HydrophobicContact CD2-CB 4.26Å; L163-F437 HydrophobicContact CD2-CD1 4Å; L163-F437 HydrophobicContact CD2-CG 4.06Å; L163-F437 HydrophobicContact CG-CD1 4.43Å; D434-F437 PolarHBondContact O-N 3.3Å; D434-F437 VanDerWaalsContact O-N 3.08Å; W435-F437 PolarHBondContact O-N 2.94Å; F437-N439 PolarHBondContact O-N 3.12Å; F437-Y440 VanDerWaalsContact O-CB 3.28Å; F437-Y440 WeakPolarHBondContact O-CB 3.47Å; F437-Y440 PolarHBondContact O-N 3.18Å
438	L	66.8	Low	65.4	Low	52 Å²	52	60.7 Å²	60.7	27%	0.272	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	141.5	168	-127.1	83.2	0	0	0	108.9	L26 W435 Y440	L26-L438 HydrophobicContact CB-CD2 4.39Å; W435-L438 WeakPolarHBondContact O-CB 3.34Å; W435-L438 PolarHBondContact O-N 3.13Å; W435-L438 VanDerWaalsContact O-N 3.09Å; L438-Y440 PolarHBondContact O-N 3.36Å
439	N	70.3	Confident	65.4	Low	72 Å²	72	59.1 Å²	59.1	39%	0.385	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	3.5	179.4	-46.2	-19.5	0	0	0	115.2	N30 R139 F437 T441	N30-N439 VanDerWaalsContact CG-ND2 3.29Å; N30-N439 PolarHBondContact ND2-OD1 3.23Å; N30-N439 PolarHBondContact OD1-ND2 3.25Å; N30-N439 PolarHBondContact OD1-OD1 2.88Å; N30-N439 VanDerWaalsContact OD1-OD1 3.13Å; R139-N439 PolarHBondContact NH1-O 3.46Å; F437-N439 PolarHBondContact O-N 3.12Å; N439-T441 PolarHBondContact O-N 3.2Å; N439-T441 VanDerWaalsContact O-N 3.14Å
440	Y	77.8	Confident	65.5	Low	7 Å²	7	57.5 Å²	57.5	3%	0.027	29%	0.285	C	S	.	.			trans	-56.8	-31.6	177.7	-173.4	-99.6	0	0	0	112.6	I135 S156 F157 Q158 L163 Y164 L165 F437 L438 Y442	I135-Y440 HydrophobicContact CG2-CD2 4.18Å; I135-Y440 HydrophobicContact CG2-CE2 3.55Å; S156-Y440 WeakPolarHBondContact CB-O 3.1Å; S156-Y440 PolarHBondContact OG-O 3.48Å; F157-Y440 WeakPolarHBondContact O-CD1 3.35Å; F157-Y440 WeakPolarHBondContact O-CE1 3.37Å; Q158-Y440 HydrophobicContact CB-CD1 4.15Å; L163-Y440 HydrophobicContact CB-CD1 4.47Å; L163-Y440 HydrophobicContact CB-CE1 3.77Å; L163-Y440 HydrophobicContact CB-CE2 4.22Å; L163-Y440 HydrophobicContact CD1-CD2 4.34Å; L163-Y440 HydrophobicContact CD1-CE2 4.03Å; L163-Y440 HydrophobicContact CD2-CD1 3.99Å; L163-Y440 HydrophobicContact CD2-CD2 4.35Å; L163-Y440 HydrophobicContact CD2-CE1 4.14Å; L163-Y440 HydrophobicContact CD2-CE2 4.5Å; L163-Y440 HydrophobicContact CD2-CG 4.08Å; L163-Y440 HydrophobicContact CG-CE1 4.45Å; L163-Y440 HydrophobicContact CG-CE2 4.5Å; Y164-Y440 WeakPolarHBondContact O-CE1 3.41Å; L165-Y440 HydrophobicContact CD2-CE2 4.38Å; L165-Y440 WeakPolarHBondContact CD2-OH 3.14Å; L165-Y440 WeakPolarHBondContact CG-OH 3.05Å; F437-Y440 VanDerWaalsContact O-CB 3.28Å; F437-Y440 WeakPolarHBondContact O-CB 3.47Å; F437-Y440 PolarHBondContact O-N 3.18Å; L438-Y440 PolarHBondContact O-N 3.36Å; Y440-Y442 PolarHBondContact O-N 3.06Å
441	T	81.6	Confident	65.2	Low	83 Å²	83	58.8 Å²	58.8	51%	0.509	28%	0.281	S	S	.	.			trans	-70.4	123.1	-177	-51.3	0	0	0	0	112.7	S156 N439	S156-T441 VanDerWaalsContact O-CA 3.24Å; S156-T441 WeakPolarHBondContact O-CA 3.42Å; S156-T441 WeakPolarHBondContact O-CG2 3.43Å; N439-T441 PolarHBondContact O-N 3.2Å; N439-T441 VanDerWaalsContact O-N 3.14Å
442	Y	82.6	Confident	64.5	Low	54 Å²	54	54.1 Å²	54.1	21%	0.212	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.3	178.2	171.6	-95.6	0	0	0	111.2	V143 M153 Y155 S156 Y440 R444	V143-Y442 HydrophobicContact CB-CE2 4.38Å; V143-Y442 HydrophobicContact CG1-CD2 4.41Å; V143-Y442 HydrophobicContact CG1-CE2 3.68Å; V143-Y442 HydrophobicContact CG2-CD1 4.04Å; V143-Y442 HydrophobicContact CG2-CD2 3.81Å; V143-Y442 HydrophobicContact CG2-CE1 3.96Å; V143-Y442 HydrophobicContact CG2-CE2 3.74Å; V143-Y442 HydrophobicContact CG2-CG 3.96Å; M153-Y442 HydrophobicContact CE-CD1 3.43Å; M153-Y442 VanDerWaalsContact CE-CD1 3.43Å; M153-Y442 HydrophobicContact CE-CE1 3.78Å; M153-Y442 HydrophobicContact CE-CG 4.12Å; Y155-Y442 WeakPolarHBondContact CA-O 3.27Å; S156-Y442 PolarHBondContact N-O 2.83Å; S156-Y442 PolarHBondContact O-N 2.81Å; S156-Y442 VanDerWaalsContact OG-CB 3.25Å; S156-Y442 WeakPolarHBondContact OG-CB 3.16Å; S156-Y442 PolarHBondContact OG-N 2.97Å; Y440-Y442 PolarHBondContact O-N 3.06Å; Y442-R444 HydrophobicContact CE1-CB 3.77Å
443	K	79.6	Confident	63.5	Low	21 Å²	21	58.9 Å²	58.9	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	120.6	173.1	-55	-168.4	-170.9	-161.8	0	110.6	F77 L80 T83 L85 Y155	F77-K443 WeakPolarHBondContact CE2-O 3.4Å; F77-K443 WeakPolarHBondContact CZ-O 3.31Å; L80-K443 HydrophobicContact CD1-CD 4.35Å; L80-K443 HydrophobicContact CD2-CD 4.45Å; L80-K443 HydrophobicContact CG-CD 3.87Å; L80-K443 PolarHBondContact O-NZ 3.44Å; T83-K443 PolarHBondContact O-NZ 3.34Å; L85-K443 HydrophobicContact CD1-CD 3.96Å; L85-K443 HydrophobicContact CD1-CG 4.38Å; Y155-K443 HydrophobicContact CD1-CB 4.26Å; Y155-K443 HydrophobicContact CD1-CG 4.31Å
444	R	80.3	Confident	62.2	Low	19 Å²	19	57.9 Å²	57.9	7%	0.072	30%	0.3	C	S	.	.			trans	-76.3	139.4	179.6	-168.2	173.5	-65.3	-122.7	5.7	111.9	L142 K152 M153 F154 Y442 E446 G447	L142-R444 PolarHBondContact O-NH2 3.15Å; K152-R444 VanDerWaalsContact CE-CD 3.4Å; M153-R444 VanDerWaalsContact O-CZ 3.26Å; M153-R444 PolarHBondContact O-NE 3.31Å; M153-R444 PolarHBondContact O-NH2 3.42Å; F154-R444 WeakPolarHBondContact O-CB 3.18Å; F154-R444 PolarHBondContact O-N 2.83Å; Y442-R444 HydrophobicContact CE1-CB 3.77Å; R444-E446 WeakPolarHBondContact CD-OE2 3.47Å; R444-E446 WeakPolarHBondContact CG-OE2 3.4Å; R444-G447 PolarHBondContact O-N 3.03Å
445	F	72.8	Confident	60.8	Low	24 Å²	24	57.2 Å²	57.2	11%	0.105	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-62.6	-46	176.3	-173.4	-101.7	0	0	0	112.3	K73 E74 F77 G447 L448	K73-F445 HydrophobicContact CB-CZ 3.99Å; E74-F445 HydrophobicContact CG-CE2 4.27Å; E74-F445 HydrophobicContact CG-CZ 4.27Å; F77-F445 HydrophobicContact CB-CD2 3.79Å; F77-F445 HydrophobicContact CB-CE2 3.77Å; F77-F445 AromaticContact CD1-CD2 3.47Å; F77-F445 HydrophobicContact CD1-CD2 3.47Å; F77-F445 VanDerWaalsContact CD1-CD2 3.47Å; F77-F445 HydrophobicContact CD1-CE2 4.02Å; F77-F445 HydrophobicContact CD2-CB 4.49Å; F77-F445 AromaticContact CD2-CD2 3.9Å; F77-F445 HydrophobicContact CD2-CD2 3.9Å; F77-F445 HydrophobicContact CE1-CB 4.38Å; F77-F445 AromaticContact CE1-CD2 3.81Å; F77-F445 HydrophobicContact CE1-CD2 3.81Å; F77-F445 HydrophobicContact CE2-CB 4.13Å; F77-F445 HydrophobicContact CE2-CD2 4.24Å; F77-F445 AromaticContact CG-CD2 3.46Å; F77-F445 HydrophobicContact CG-CD2 3.46Å; F77-F445 VanDerWaalsContact CG-CD2 3.46Å; F77-F445 AromaticContact CG-CE2 3.97Å; F77-F445 HydrophobicContact CG-CE2 3.97Å; F77-F445 HydrophobicContact CZ-CB 4.02Å; F77-F445 HydrophobicContact CZ-CD2 4.17Å; F445-G447 PolarHBondContact O-N 3.37Å; F445-G447 VanDerWaalsContact O-N 3.11Å; F445-L448 HydrophobicContact CD2-CD1 4.41Å; F445-L448 WeakPolarHBondContact O-CB 3.41Å; F445-L448 WeakPolarHBondContact O-CD1 3.43Å; F445-L448 PolarHBondContact O-N 2.88Å; F445-L448 VanDerWaalsContact O-N 3.16Å
446	E	67.5	Low	59.1	Low	80 Å²	80	57.8 Å²	57.8	37%	0.374	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-67.7	-11.4	177.3	-58.4	78.8	-161.1	0	0	113.2	R444 L448 T449	R444-E446 WeakPolarHBondContact CD-OE2 3.47Å; R444-E446 WeakPolarHBondContact CG-OE2 3.4Å; E446-L448 PolarHBondContact O-N 3.01Å; E446-L448 VanDerWaalsContact O-N 3.12Å; E446-T449 PolarHBondContact O-N 2.93Å; E446-T449 VanDerWaalsContact O-N 3.14Å; E446-T449 PolarHBondContact O-OG1 3.04Å
447	G	58.1	Low	58	Low	6 Å²	6	64.5 Å²	64.5	6%	0.062	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-63.5	-11.3	171.3	0	0	0	0	0	113.8	Y155 R444 F445	Y155-G447 PolarHBondContact OH-O 3.42Å; R444-G447 PolarHBondContact O-N 3.03Å; F445-G447 PolarHBondContact O-N 3.37Å; F445-G447 VanDerWaalsContact O-N 3.11Å
448	L	53.7	Low	56.2	Low	31 Å²	31	70.3 Å²	70.3	16%	0.162	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-81	-28.4	173.2	-77.1	144	0	0	0	113.8	E76 F77 L80 F445 E446 Q450 R451	E76-L448 HydrophobicContact CB-CD2 3.7Å; F77-L448 HydrophobicContact CB-CD1 3.41Å; F77-L448 VanDerWaalsContact CB-CD1 3.41Å; F77-L448 HydrophobicContact CD2-CD1 3.54Å; F77-L448 HydrophobicContact CG-CD1 3.89Å; L80-L448 HydrophobicContact CD2-CD2 4.39Å; L80-L448 HydrophobicContact CD2-CG 4.16Å; F445-L448 HydrophobicContact CD2-CD1 4.41Å; F445-L448 WeakPolarHBondContact O-CB 3.41Å; F445-L448 WeakPolarHBondContact O-CD1 3.43Å; F445-L448 PolarHBondContact O-N 2.88Å; F445-L448 VanDerWaalsContact O-N 3.16Å; E446-L448 PolarHBondContact O-N 3.01Å; E446-L448 VanDerWaalsContact O-N 3.12Å; L448-Q450 VanDerWaalsContact C-N 3.28Å; L448-Q450 PolarHBondContact O-N 2.69Å; L448-R451 PolarHBondContact O-N 3.08Å
449	T	47.9	Very low	54.7	Low	79 Å²	79	75.2 Å²	75.2	49%	0.485	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.2	-175.3	51.4	0	0	0	0	112.9	K73 E446 R451	K73-T449 HydrophobicContact CD-CG2 4.43Å; E446-T449 PolarHBondContact O-N 2.93Å; E446-T449 VanDerWaalsContact O-N 3.14Å; E446-T449 PolarHBondContact O-OG1 3.04Å; T449-R451 PolarHBondContact O-N 2.85Å
450	Q	50.9	Low	53	Low	58 Å²	58	76 Å²	76	27%	0.271	40%	0.403	S	S	.	.			trans	-78.7	38.2	163.8	-70.4	-172.3	-15.5	0	0	111.7	H114 Y116 L448	H114-Q450 PolarHBondContact CD2-O 2.88Å; H114-Q450 PolarHBondContact CE1-O 3.1Å; H114-Q450 VanDerWaalsContact CG-O 3.29Å; H114-Q450 PolarHBondContact ND1-O 3.05Å; H114-Q450 VanDerWaalsContact ND1-O 3.15Å; H114-Q450 PolarHBondContact NE2-O 3.09Å; Y116-Q450 PolarHBondContact OH-OE1 3.14Å; L448-Q450 VanDerWaalsContact C-N 3.28Å; L448-Q450 PolarHBondContact O-N 2.69Å
451	R	43.8	Very low	51.1	Low	146 Å²	146	78.9 Å²	78.9	55%	0.551	44%	0.435	S	S	*	.			trans	-87.3	82.3	141.4	-77.4	-178.9	174.7	164.6	-0.2	104.3	E76 L448 T449 T453	E76-R451 IonicContact OE1-CZ 3.72Å; E76-R451 IonicContact OE1-NH1 2.84Å; E76-R451 PolarHBondContact OE1-NH1 3.28Å; E76-R451 IonicContact OE1-NH2 3.93Å; E76-R451 IonicContact OE2-NH1 4Å; L448-R451 PolarHBondContact O-N 3.08Å; T449-R451 PolarHBondContact O-N 2.85Å; R451-T453 PolarHBondContact O-N 3.1Å; R451-T453 VanDerWaalsContact O-N 3.13Å
452	G	36.3	Very low	49.1	Very low	41 Å²	41	85 Å²	85	42%	0.423	45%	0.454	S	S	.	.			trans	-43.6	126.9	164.7	0	0	0	0	0	107.8	H114 I454	H114-G452 PolarHBondContact CE1-N 2.97Å; H114-G452 PolarHBondContact NE2-N 2.97Å; G452-I454 VanDerWaalsContact C-N 3.32Å; G452-I454 PolarHBondContact O-N 3.36Å
453	T	31	Very low	46.8	Very low	132 Å²	132	91 Å²	91	81%	0.81	52%	0.515	S	S	*	.			trans	-50.6	110.4	156.5	29.8	0	0	0	0	105.4	R451 P455	R451-T453 PolarHBondContact O-N 3.1Å; R451-T453 VanDerWaalsContact O-N 3.13Å; T453-P455 VanDerWaalsContact O-CD 3.26Å; T453-P455 WeakPolarHBondContact O-CD 3.28Å
454	I	32.5	Very low	45.1	Very low	99 Å²	99	94.5 Å²	94.5	51%	0.508	54%	0.536	S	S	.	.			trans	-45.1	116.4	170.7	-63	170.5	0	0	0	105.2	G452 T456 M458 K459	G452-I454 VanDerWaalsContact C-N 3.32Å; G452-I454 PolarHBondContact O-N 3.36Å; I454-T456 PolarHBondContact O-N 2.95Å; I454-M458 HydrophobicContact CG2-CB 3.6Å; I454-K459 HydrophobicContact CG2-CG 4.28Å
455	P	33.6	Very low	43.3	Very low	53 Å²	53	98.4 Å²	98.4	34%	0.344	56%	0.56	S	S	.	*			trans	-51.4	134.3	178.9	-26.9	34.5	0	0	0	108.3	T453 Y457 M458	T453-P455 VanDerWaalsContact O-CD 3.26Å; T453-P455 WeakPolarHBondContact O-CD 3.28Å; P455-Y457 HydrophobicContact CB-CD1 3.4Å; P455-Y457 HydrophobicContact CB-CE1 3.07Å; P455-Y457 HydrophobicContact CB-CE2 4.29Å; P455-Y457 HydrophobicContact CB-CG 4.16Å; P455-Y457 HydrophobicContact CG-CE1 3.82Å; P455-Y457 PolarHBondContact O-N 3.24Å; P455-M458 PolarHBondContact O-N 3.28Å
456	T	31.7	Very low	41.6	Very low	123 Å²	123	102.6 Å²	102.6	76%	0.755	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-53.6	-25.1	-173.9	28	0	0	0	0	112.9	I454 M458 K459	I454-T456 PolarHBondContact O-N 2.95Å; T456-M458 VanDerWaalsContact C-N 3.33Å; T456-M458 PolarHBondContact O-N 2.78Å; T456-K459 PolarHBondContact O-N 3.43Å
457	Y	45.3	Very low	40.1	Very low	169 Å²	169	103.9 Å²	103.9	66%	0.663	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-67.9	-24.4	174.5	68.8	-103.4	0	0	0	114.6	P455 K459	P455-Y457 HydrophobicContact CB-CD1 3.4Å; P455-Y457 HydrophobicContact CB-CE1 3.07Å; P455-Y457 HydrophobicContact CB-CE2 4.29Å; P455-Y457 HydrophobicContact CB-CG 4.16Å; P455-Y457 HydrophobicContact CG-CE1 3.82Å; P455-Y457 PolarHBondContact O-N 3.24Å; Y457-K459 VanDerWaalsContact C-N 3.32Å
458	M	35.4	Very low	39	Very low	128 Å²	128	110 Å²	110	63%	0.631	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-81	-8.5	173.8	-78.9	-172	-178.4	0	0	113.4	I454 P455 T456	I454-M458 HydrophobicContact CG2-CB 3.6Å; P455-M458 PolarHBondContact O-N 3.28Å; T456-M458 VanDerWaalsContact C-N 3.33Å; T456-M458 PolarHBondContact O-N 2.78Å
459	K	37.1	Very low	38	Very low	154 Å²	154	115.3 Å²	115.3	67%	0.67	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-87.2	-13.9	172.6	-73.1	-176.5	176.3	178.8	0	113.2	I454 T456 Y457 G461	I454-K459 HydrophobicContact CG2-CG 4.28Å; T456-K459 PolarHBondContact O-N 3.43Å; Y457-K459 VanDerWaalsContact C-N 3.32Å; K459-G461 PolarHBondContact O-N 3.36Å
460	A	33.5	Very low	37.3	Very low	90 Å²	90	117.9 Å²	117.9	74%	0.744	68%	0.675	S	S	*	*	S	Bend	trans	-94.2	73	178.9	0	0	0	0	0	110.3
461	G	37.7	Very low	36.3	Very low	67 Å²	67	122.5 Å²	122.5	69%	0.691	71%	0.706	S	S	*	*	S	Bend	trans	-163.2	10.9	-179.6	0	0	0	0	0	116.3	K459	K459-G461 PolarHBondContact O-N 3.36Å
462	K	39.9	Very low	35.6	Very low	211 Å²	211	120.5 Å²	120.5	92%	0.917	72%	0.719	S	S	*	*			trans	-143.3	82.9	167.2	-70.8	-168.9	-179.8	-179.4	0	109.2
463	A	33.8	Very low	35.6	Very low	179 Å²	179	127.7 Å²	127.7	100%	1.479	75%	0.746	S	S	*	*			trans	-119.2	0	149.5	0	0	0	0	0	106.4

Retrieved 463 of 463 residues in 957.2 ms (Link to these results)

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