A0A087XCW0_POEFO Loading...

Receptor-interacting serine/threonine-protein kinase 2

AlphaFold DB , UniProt , Accession A0A087XCW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 580 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	31.8	Very low	35.9	Very low	248 Å²	248	136.6 Å²	136.6	100%	1.222	85%	0.852	S	S	*	*				0	159.9	0	-81.3	168.3	162.7	0	0	108.2
2	E	33.5	Very low	36.7	Very low	187 Å²	187	138.4 Å²	138.4	87%	0.874	85%	0.848	S	S	*	*			trans	-68.8	175.3	-171.8	-74.8	-169.8	129.6	0	0	114.9
3	P	47.7	Very low	37.9	Very low	117 Å²	117	131.8 Å²	131.8	76%	0.76	83%	0.825	S	S	*	*			cis	-125.7	168.5	0.7	14.8	10.2	0	0	0	116.1
4	H	39.7	Very low	40.1	Very low	196 Å²	196	131.7 Å²	131.7	91%	0.907	82%	0.823	S	S	*	*			trans	-79	150.3	159.1	-79.1	-89.2	0	0	0	111.3
5	G	29.7	Very low	42.4	Very low	79 Å²	79	134.1 Å²	134.1	81%	0.814	83%	0.827	S	S	*	*			trans	-151	43.8	178.3	0	0	0	0	0	113.3	A7	G5-A7 PolarHBondContact O-N 3.3Å
6	A	34.2	Very low	44.7	Very low	99 Å²	99	133.4 Å²	133.4	82%	0.818	82%	0.822	S	S	*	*			trans	-70.7	115.7	177.3	0	0	0	0	0	110.4	G8	A6-G8 PolarHBondContact O-N 3.22Å
7	A	35.8	Very low	47.1	Very low	97 Å²	97	129.6 Å²	129.6	80%	0.802	80%	0.802	S	S	*	*			trans	-67	101.4	176.1	0	0	0	0	0	110.2	G5 C9	G5-A7 PolarHBondContact O-N 3.3Å; A7-C9 PolarHBondContact O-N 2.66Å
8	G	30.6	Very low	49.4	Very low	68 Å²	68	129 Å²	129	70%	0.701	80%	0.798	S	S	*	*			trans	-71.6	93.9	178.1	0	0	0	0	0	111.6	A6 V10	A6-G8 PolarHBondContact O-N 3.22Å; G8-V10 PolarHBondContact O-N 3.32Å
9	C	34.9	Very low	51.6	Low	127 Å²	127	124.3 Å²	124.3	86%	0.858	77%	0.767	S	S	*	*			trans	-60.6	102.1	162	-69.2	0	0	0	0	108.6	A7 N11	A7-C9 PolarHBondContact O-N 2.66Å; C9-N11 PolarHBondContact O-N 3.03Å
10	V	36.3	Very low	53.7	Low	125 Å²	125	120.9 Å²	120.9	76%	0.758	75%	0.747	S	S	*	*			trans	-68.9	101.9	178.4	-179.6	0	0	0	0	108.5	G8 I12	G8-V10 PolarHBondContact O-N 3.32Å; V10-I12 HydrophobicContact CG1-CG1 4.49Å; V10-I12 PolarHBondContact O-N 3.16Å
11	N	40.4	Very low	55.6	Low	160 Å²	160	119.6 Å²	119.6	86%	0.856	74%	0.738	S	S	*	*			trans	-60.6	103.4	160.1	-103.1	-28.9	0	0	0	107.5	C9 G13	C9-N11 PolarHBondContact O-N 3.03Å; N11-G13 VanDerWaalsContact C-N 3.32Å; N11-G13 PolarHBondContact O-N 2.85Å
12	I	46	Very low	58.7	Low	158 Å²	158	108 Å²	108	81%	0.81	68%	0.681	S	S	*	*			trans	-66.7	98	168.4	-61.2	176.9	0	0	0	106	V10	V10-I12 HydrophobicContact CG1-CG1 4.49Å; V10-I12 PolarHBondContact O-N 3.16Å
13	G	52.3	Low	61.6	Low	53 Å²	53	101.8 Å²	101.8	55%	0.546	66%	0.657	S	S	.	*			trans	-60.1	141.1	-173.5	0	0	0	0	0	111.9	N11 L15	N11-G13 VanDerWaalsContact C-N 3.32Å; N11-G13 PolarHBondContact O-N 2.85Å; G13-L15 PolarHBondContact O-N 3.4Å
14	T	69.1	Low	63.8	Low	130 Å²	130	100.6 Å²	100.6	80%	0.798	64%	0.638	S	S	*	*			trans	-55.1	110.1	-178.4	-48.1	0	0	0	0	111.2	T16	T14-T16 HydrophobicContact CG2-CG2 4.41Å; T14-T16 PolarHBondContact O-N 3.13Å; T14-T16 VanDerWaalsContact O-N 3.15Å
15	L	74.9	Confident	66.4	Low	168 Å²	168	97.2 Å²	97.2	88%	0.88	62%	0.623	S	S	*	*			trans	-67.8	110.2	173.4	-66.4	176.8	0	0	0	109.3	G13	G13-L15 PolarHBondContact O-N 3.4Å
16	T	78.7	Confident	69.6	Low	123 Å²	123	96.5 Å²	96.5	76%	0.755	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-98.7	123.1	-179.9	49.5	0	0	0	0	111.1	T14	T14-T16 HydrophobicContact CG2-CG2 4.41Å; T14-T16 PolarHBondContact O-N 3.13Å; T14-T16 VanDerWaalsContact O-N 3.15Å
17	S	85.4	Confident	72.6	Confident	69 Å²	69	92.2 Å²	92.2	48%	0.483	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-93.5	126.7	164.6	-176.6	0	0	0	0	108	H79 R82	S17-H79 PolarHBondContact O-NE2 2.91Å; S17-R82 PolarHBondContact OG-NH1 3.48Å
18	T	88.6	Confident	75.4	Confident	118 Å²	118	90 Å²	90	72%	0.724	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-83.1	147.5	171.8	46.6	0	0	0	0	110.8	P20 H79	T18-P20 WeakPolarHBondContact O-CD 3.33Å; T18-H79 PolarHBondContact O-CE1 2.76Å; T18-H79 VanDerWaalsContact O-CE1 3.23Å
19	L	90.9	Very high	78.5	Confident	40 Å²	40	92.4 Å²	92.4	21%	0.209	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-81.5	122.7	173.4	177	63.7	0	0	0	109.1	A75 H79 I89 I92	L19-A75 HydrophobicContact CD2-CB 3.74Å; L19-H79 VanDerWaalsContact CA-CE1 3.48Å; L19-H79 WeakPolarHBondContact CA-CE1 3.3Å; L19-H79 HydrophobicContact CD1-CB 4.16Å; L19-H79 PolarHBondContact N-CE1 3.48Å; L19-I89 HydrophobicContact CD1-CD1 3.7Å; L19-I89 HydrophobicContact CD1-CG1 3.92Å; L19-I89 HydrophobicContact CD1-CG2 4.3Å; L19-I89 HydrophobicContact CD2-CD1 4.12Å; L19-I92 HydrophobicContact CD2-CD1 4.35Å; L19-I92 HydrophobicContact CD2-CG1 4.2Å; L19-I92 HydrophobicContact CD2-CG2 4.1Å; L19-I92 HydrophobicContact CG-CG1 4.48Å
20	P	93.6	Very high	81.3	Confident	56 Å²	56	89.2 Å²	89.2	36%	0.364	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-63.2	140.7	178.9	-26.1	36.6	0	0	0	113.3	T18 F90 G91 I92	T18-P20 WeakPolarHBondContact O-CD 3.33Å; P20-F90 WeakPolarHBondContact CD-O 3.35Å; P20-F90 WeakPolarHBondContact CG-O 3.48Å; P20-G91 CarbonylContact O-C 3.55Å; P20-G91 WeakPolarHBondContact O-CA 3.31Å; P20-I92 PolarHBondContact O-N 3.05Å
21	V	94.5	Very high	84	Confident	94 Å²	94	90.7 Å²	90.7	57%	0.57	50%	0.501	S	S	*	.	B	Isolated β-bridge	trans	-94.7	123.1	163.5	-177.8	0	0	0	0	107.7	I92 N94	V21-I92 CarbonylContact C-O 3.5Å; V21-I92 WeakPolarHBondContact CA-O 3.38Å; V21-I92 HydrophobicContact CG2-CD1 4.5Å; V21-I92 HydrophobicContact CG2-CG1 4.37Å; V21-N94 HydrophobicContact CG1-CB 4.1Å
22	I	95.6	Very high	86.6	Confident	4 Å²	4	89 Å²	89	2%	0.021	48%	0.484	C	S	.	.			trans	-105.7	118.1	-177.5	-59.3	165.4	0	0	0	107.5	K26 L27 W49 I92 C93 V102	I22-K26 HydrophobicContact CG2-CB 4.08Å; I22-L27 HydrophobicContact CG2-CD1 4.4Å; I22-L27 HydrophobicContact CG2-CD2 3.97Å; I22-L27 HydrophobicContact CG2-CG 4.08Å; I22-W49 HydrophobicContact CD1-CH2 3.68Å; I22-W49 HydrophobicContact CD1-CZ3 4.12Å; I22-W49 HydrophobicContact CG1-CH2 4.11Å; I22-I92 PolarHBondContact N-O 3.03Å; I22-C93 WeakPolarHBondContact O-CA 3.31Å; I22-V102 HydrophobicContact CD1-CB 3.75Å; I22-V102 HydrophobicContact CD1-CG1 3.93Å; I22-V102 HydrophobicContact CD1-CG2 3.87Å
23	P	95	Very high	88.7	Confident	57 Å²	57	85 Å²	85	37%	0.37	46%	0.463	S	S	.	.			trans	-63.6	144	174.5	-19.9	31.9	0	0	0	111.4	Q25 K26	P23-Q25 PolarHBondContact O-N 2.85Å; P23-Q25 VanDerWaalsContact O-N 3.13Å; P23-K26 HydrophobicContact CB-CG 4.34Å; P23-K26 HydrophobicContact CG-CG 4.34Å; P23-K26 WeakPolarHBondContact O-CB 3.31Å; P23-K26 PolarHBondContact O-N 3.4Å
24	Y	93.8	Very high	90.2	Very high	92 Å²	92	85.1 Å²	85.1	36%	0.361	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-56.5	-35.2	-177.6	173	-120.1	0	0	0	112.3	K26 L27 L30 E95 F98	Y24-K26 PolarHBondContact O-N 3.35Å; Y24-L27 WeakPolarHBondContact O-CB 3.47Å; Y24-L27 PolarHBondContact O-N 2.96Å; Y24-L30 HydrophobicContact CE2-CD2 4.07Å; Y24-E95 WeakPolarHBondContact CB-OE1 3.45Å; Y24-E95 WeakPolarHBondContact CB-OE2 3.49Å; Y24-E95 PolarHBondContact N-OE1 3Å; Y24-F98 HydrophobicContact CD2-CB 4.24Å; Y24-F98 AromaticContact CD2-CD1 3.34Å; Y24-F98 HydrophobicContact CD2-CD1 3.34Å; Y24-F98 HydrophobicContact CD2-CD2 4.1Å; Y24-F98 AromaticContact CD2-CE1 3.55Å; Y24-F98 HydrophobicContact CD2-CE1 3.55Å; Y24-F98 HydrophobicContact CD2-CE2 4.29Å; Y24-F98 AromaticContact CD2-CG 3.63Å; Y24-F98 HydrophobicContact CD2-CG 3.63Å; Y24-F98 HydrophobicContact CD2-CZ 4.04Å; Y24-F98 AromaticContact CE2-CD1 3.89Å; Y24-F98 HydrophobicContact CE2-CD1 3.89Å; Y24-F98 AromaticContact CE2-CD2 3.86Å; Y24-F98 HydrophobicContact CE2-CD2 3.86Å; Y24-F98 AromaticContact CE2-CE1 3.84Å; Y24-F98 HydrophobicContact CE2-CE1 3.84Å; Y24-F98 AromaticContact CE2-CE2 3.82Å; Y24-F98 HydrophobicContact CE2-CE2 3.82Å; Y24-F98 AromaticContact CE2-CG 3.89Å; Y24-F98 HydrophobicContact CE2-CG 3.89Å; Y24-F98 AromaticContact CE2-CZ 3.81Å; Y24-F98 HydrophobicContact CE2-CZ 3.81Å; Y24-F98 HydrophobicContact CG-CB 4.41Å; Y24-F98 HydrophobicContact CG-CD1 4.16Å; Y24-F98 HydrophobicContact CG-CG 4.28Å
25	Q	95.1	Very high	90.7	Very high	124 Å²	124	86 Å²	86	58%	0.579	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-70.9	-4.7	-178	-38.7	74	29.7	0	0	112.9	P23 E95	P23-Q25 PolarHBondContact O-N 2.85Å; P23-Q25 VanDerWaalsContact O-N 3.13Å; Q25-E95 PolarHBondContact NE2-OE1 2.72Å; Q25-E95 PolarHBondContact NE2-OE2 3.15Å
26	K	96.8	Very high	90.4	Very high	65 Å²	65	79 Å²	79	28%	0.283	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-89.5	-13.3	169.4	-61.8	-58.9	-171.6	165.7	0	113.5	I22 P23 Y24 H46 S47 D48	I22-K26 HydrophobicContact CG2-CB 4.08Å; P23-K26 HydrophobicContact CB-CG 4.34Å; P23-K26 HydrophobicContact CG-CG 4.34Å; P23-K26 WeakPolarHBondContact O-CB 3.31Å; P23-K26 PolarHBondContact O-N 3.4Å; Y24-K26 PolarHBondContact O-N 3.35Å; K26-H46 CarbonylContact O-C 3.58Å; K26-H46 WeakPolarHBondContact O-CA 3.07Å; K26-S47 WeakPolarHBondContact CD-OG 3.33Å; K26-S47 PolarHBondContact O-N 2.83Å; K26-S47 PolarHBondContact O-OG 3.2Å; K26-D48 VanDerWaalsContact CD-OD2 3.28Å; K26-D48 WeakPolarHBondContact CD-OD2 3.42Å; K26-D48 WeakPolarHBondContact CE-OD2 3.47Å; K26-D48 IonicContact NZ-OD1 3.89Å; K26-D48 PolarHBondContact NZ-OD1 3.12Å; K26-D48 IonicContact NZ-OD2 2.71Å; K26-D48 PolarHBondContact NZ-OD2 3.36Å
27	L	95.8	Very high	89.7	Confident	8 Å²	8	75.2 Å²	75.2	4%	0.042	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	101.3	-179	-57.5	172.4	0	0	0	108.2	I22 Y24 L30 V53 I55 C93 F98 V102	I22-L27 HydrophobicContact CG2-CD1 4.4Å; I22-L27 HydrophobicContact CG2-CD2 3.97Å; I22-L27 HydrophobicContact CG2-CG 4.08Å; Y24-L27 WeakPolarHBondContact O-CB 3.47Å; Y24-L27 PolarHBondContact O-N 2.96Å; L27-L30 HydrophobicContact CB-CD1 4.23Å; L27-L30 WeakPolarHBondContact O-CD1 3.5Å; L27-V53 HydrophobicContact CD2-CG2 4.11Å; L27-I55 HydrophobicContact CB-CD1 3.96Å; L27-I55 HydrophobicContact CD1-CD1 3.86Å; L27-I55 HydrophobicContact CD1-CG1 4.48Å; L27-I55 HydrophobicContact CD2-CD1 4.13Å; L27-I55 HydrophobicContact CG-CD1 4.19Å; L27-C93 HydrophobicContact CD1-CB 4.36Å; L27-F98 HydrophobicContact CD1-CE1 4.23Å; L27-V102 HydrophobicContact CD1-CG2 4.12Å; L27-V102 HydrophobicContact CD2-CG1 4.34Å; L27-V102 HydrophobicContact CD2-CG2 4.33Å
28	T	95.8	Very high	88.7	Confident	50 Å²	50	73.9 Å²	73.9	31%	0.307	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	167.5	-177.4	64.5	0	0	0	0	111.6	L30 A44 Q45	T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 3.28Å; T28-A44 CarbonylContact O-C 3.6Å; T28-A44 WeakPolarHBondContact O-CA 3.29Å; T28-A44 VanDerWaalsContact O-CB 3.29Å; T28-A44 WeakPolarHBondContact O-CB 3.41Å; T28-Q45 PolarHBondContact N-O 3.11Å; T28-Q45 PolarHBondContact O-N 2.77Å; T28-Q45 PolarHBondContact OG1-O 3.04Å
29	D	94.9	Very high	88.1	Confident	120 Å²	120	68.5 Å²	68.5	64%	0.642	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.9	40.4	173.5	-44.5	-48.9	0	0	0	113.9	Y31 Q45	D29-Y31 PolarHBondContact O-N 3.47Å; D29-Y31 VanDerWaalsContact O-N 3.15Å; D29-Q45 HydrophobicContact CB-CG 4.23Å; D29-Q45 WeakPolarHBondContact OD2-CG 3.38Å
30	L	93.8	Very high	87.8	Confident	60 Å²	60	67.2 Å²	67.2	31%	0.314	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	115.3	-179.8	-87.3	70.5	0	0	0	111.1	Y24 L27 T28 K43 A44 I55 F98	Y24-L30 HydrophobicContact CE2-CD2 4.07Å; L27-L30 HydrophobicContact CB-CD1 4.23Å; L27-L30 WeakPolarHBondContact O-CD1 3.5Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 3.28Å; L30-K43 CarbonylContact C-O 3.6Å; L30-K43 WeakPolarHBondContact CA-O 3.33Å; L30-A44 HydrophobicContact CD1-CB 4.01Å; L30-A44 HydrophobicContact CG-CB 4.34Å; L30-I55 HydrophobicContact CD1-CD1 4.42Å; L30-I55 HydrophobicContact CG-CD1 4.34Å; L30-F98 HydrophobicContact CD2-CE2 4.19Å; L30-F98 HydrophobicContact CD2-CZ 3.95Å
31	Y	94.1	Very high	87.6	Confident	156 Å²	156	66.4 Å²	66.4	61%	0.612	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.8	177.9	179.4	-93.3	0	0	0	109.8	D29 L33 F42 K43	D29-Y31 PolarHBondContact O-N 3.47Å; D29-Y31 VanDerWaalsContact O-N 3.15Å; Y31-L33 HydrophobicContact CD1-CD2 3.95Å; Y31-L33 HydrophobicContact CE1-CD2 4.17Å; Y31-L33 PolarHBondContact O-N 3.01Å; Y31-F42 CarbonylContact O-C 3.6Å; Y31-F42 VanDerWaalsContact O-CA 3.25Å; Y31-F42 WeakPolarHBondContact O-CA 3.3Å; Y31-K43 PolarHBondContact N-O 3.36Å; Y31-K43 PolarHBondContact O-N 3.37Å
32	Y	93.4	Very high	87.5	Confident	125 Å²	125	64.1 Å²	64.1	49%	0.49	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	131.1	178.8	171.5	-85.6	0	0	0	111.2	R35 T40 F42	Y32-R35 HydrophobicContact CE2-CB 4.17Å; Y32-R35 WeakPolarHBondContact OH-CB 3.44Å; Y32-R35 PolarHBondContact OH-N 3.38Å; Y32-T40 HydrophobicContact CD2-CG2 3.78Å; Y32-T40 HydrophobicContact CE2-CG2 3.69Å; Y32-F42 HydrophobicContact CD2-CE1 4.33Å
33	L	89.9	Confident	87.6	Confident	72 Å²	72	67.5 Å²	67.5	38%	0.377	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-55	173.7	-60.8	174.5	0	0	0	111.3	Y31 V41 K43 F105	Y31-L33 HydrophobicContact CD1-CD2 3.95Å; Y31-L33 HydrophobicContact CE1-CD2 4.17Å; Y31-L33 PolarHBondContact O-N 3.01Å; L33-V41 WeakPolarHBondContact CB-O 3.5Å; L33-V41 HydrophobicContact CD1-CG1 4.23Å; L33-V41 PolarHBondContact N-O 3.24Å; L33-K43 HydrophobicContact CD1-CB 4.03Å; L33-K43 HydrophobicContact CD2-CB 4.06Å; L33-K43 HydrophobicContact CG-CB 4.11Å; L33-F105 HydrophobicContact CD1-CE2 3.97Å
34	S	84.1	Confident	87.7	Confident	57 Å²	57	64.8 Å²	64.8	40%	0.399	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	167.2	-171.2	66.4	0	0	0	0	112.9	T40 V41	S34-T40 CarbonylContact O-C 3.6Å; S34-T40 WeakPolarHBondContact O-CA 3.36Å; S34-T40 WeakPolarHBondContact O-CG2 3.43Å; S34-V41 PolarHBondContact N-O 3.16Å; S34-V41 PolarHBondContact O-N 2.96Å
35	R	81.1	Confident	87.9	Confident	148 Å²	148	63.3 Å²	63.3	56%	0.558	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	141	172.6	-171.7	-178.8	-168.3	-168.5	4.9	108.9	Y32 G39 T40	Y32-R35 HydrophobicContact CE2-CB 4.17Å; Y32-R35 WeakPolarHBondContact OH-CB 3.44Å; Y32-R35 PolarHBondContact OH-N 3.38Å; R35-G39 WeakPolarHBondContact CA-O 3.42Å; R35-T40 HydrophobicContact CB-CG2 4.47Å
36	G	68.6	Low	88	Confident	22 Å²	22	57.7 Å²	57.7	23%	0.227	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	-165.4	175.1	0	0	0	0	0	111.8	F38 G39	G36-F38 PolarHBondContact O-N 2.99Å; G36-G39 PolarHBondContact N-O 3.09Å; G36-G39 PolarHBondContact O-N 3.18Å; G36-G39 VanDerWaalsContact O-O 3.11Å
37	G	63.3	Low	88	Confident	43 Å²	43	56.9 Å²	56.9	44%	0.443	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.3	-175.6	0	0	0	0	0	115.8	E193	G37-E193 PolarHBondContact N-OE2 2.91Å
38	F	63.6	Low	88	Confident	41 Å²	41	60.9 Å²	60.9	18%	0.18	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	1.2	179.5	-54	-53.9	0	0	0	114.8	G36 K56 D154 D172 L175	G36-F38 PolarHBondContact O-N 2.99Å; F38-K56 WeakPolarHBondContact O-CE 3.43Å; F38-D154 WeakPolarHBondContact CE2-OD2 3.43Å; F38-D154 WeakPolarHBondContact CZ-OD2 3.21Å; F38-D172 HydrophobicContact CD2-CB 4.36Å; F38-D172 WeakPolarHBondContact CD2-OD2 3.46Å; F38-D172 HydrophobicContact CE2-CB 4.38Å; F38-L175 HydrophobicContact CB-CD1 4.21Å; F38-L175 HydrophobicContact CD1-CB 4.1Å; F38-L175 HydrophobicContact CD1-CD1 3.66Å; F38-L175 HydrophobicContact CD1-CD2 4.23Å; F38-L175 HydrophobicContact CD1-CG 4.22Å; F38-L175 HydrophobicContact CD2-CD1 4.01Å; F38-L175 HydrophobicContact CE1-CB 3.68Å; F38-L175 HydrophobicContact CE1-CD1 3.92Å; F38-L175 HydrophobicContact CE1-CG 4.29Å; F38-L175 HydrophobicContact CE2-CD1 4.23Å; F38-L175 HydrophobicContact CG-CD1 3.71Å; F38-L175 HydrophobicContact CZ-CB 4.15Å; F38-L175 HydrophobicContact CZ-CD1 4.18Å
39	G	76.4	Confident	88.1	Confident	5 Å²	5	63.7 Å²	63.7	5%	0.052	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.5	-155.5	177.5	0	0	0	0	0	114.3	R35 G36 C57	R35-G39 WeakPolarHBondContact CA-O 3.42Å; G36-G39 PolarHBondContact N-O 3.09Å; G36-G39 PolarHBondContact O-N 3.18Å; G36-G39 VanDerWaalsContact O-O 3.11Å; G39-C57 CarbonylContact C-O 3.6Å; G39-C57 VanDerWaalsContact CA-O 3.25Å; G39-C57 WeakPolarHBondContact CA-O 3.42Å
40	T	84.1	Confident	88.1	Confident	13 Å²	13	68.6 Å²	68.6	8%	0.08	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.5	175.7	-51.5	0	0	0	0	109	Y32 S34 R35 F42 C57	Y32-T40 HydrophobicContact CD2-CG2 3.78Å; Y32-T40 HydrophobicContact CE2-CG2 3.69Å; S34-T40 CarbonylContact O-C 3.6Å; S34-T40 WeakPolarHBondContact O-CA 3.36Å; S34-T40 WeakPolarHBondContact O-CG2 3.43Å; R35-T40 HydrophobicContact CB-CG2 4.47Å; T40-F42 HydrophobicContact CG2-CD2 4.22Å; T40-F42 HydrophobicContact CG2-CE1 4.41Å; T40-F42 HydrophobicContact CG2-CE2 3.47Å; T40-F42 VanDerWaalsContact CG2-CE2 3.47Å; T40-F42 HydrophobicContact CG2-CZ 3.59Å; T40-C57 PolarHBondContact N-O 3.06Å; T40-C57 PolarHBondContact O-N 2.97Å
41	V	89.9	Confident	88.2	Confident	39 Å²	39	68.9 Å²	68.9	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.9	179.9	-167.2	0	0	0	0	110.4	L33 S34 I55 K56	L33-V41 WeakPolarHBondContact CB-O 3.5Å; L33-V41 HydrophobicContact CD1-CG1 4.23Å; L33-V41 PolarHBondContact N-O 3.24Å; S34-V41 PolarHBondContact N-O 3.16Å; S34-V41 PolarHBondContact O-N 2.96Å; V41-I55 CarbonylContact C-O 3.54Å; V41-I55 VanDerWaalsContact CA-O 3.3Å; V41-I55 WeakPolarHBondContact CA-O 3.43Å; V41-K56 HydrophobicContact CG2-CG 4.46Å
42	F	93.6	Very high	88.3	Confident	46 Å²	46	63.4 Å²	63.4	20%	0.202	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.9	176.1	-58.4	-97	0	0	0	110.5	Y31 Y32 T40 A54 I55 C57	Y31-F42 CarbonylContact O-C 3.6Å; Y31-F42 VanDerWaalsContact O-CA 3.25Å; Y31-F42 WeakPolarHBondContact O-CA 3.3Å; Y32-F42 HydrophobicContact CD2-CE1 4.33Å; T40-F42 HydrophobicContact CG2-CD2 4.22Å; T40-F42 HydrophobicContact CG2-CE1 4.41Å; T40-F42 HydrophobicContact CG2-CE2 3.47Å; T40-F42 VanDerWaalsContact CG2-CE2 3.47Å; T40-F42 HydrophobicContact CG2-CZ 3.59Å; F42-A54 CarbonylContact O-C 3.56Å; F42-A54 WeakPolarHBondContact O-CA 3.37Å; F42-I55 HydrophobicContact CB-CB 4.42Å; F42-I55 PolarHBondContact N-O 3.29Å; F42-I55 PolarHBondContact O-N 3.44Å; F42-C57 HydrophobicContact CE2-CB 4.41Å
43	K	96.4	Very high	88.5	Confident	74 Å²	74	57.5 Å²	57.5	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	144.5	158.6	174.2	-179.3	174.5	-179.5	0	108.3	L30 Y31 L33 T52 F105	L30-K43 CarbonylContact C-O 3.6Å; L30-K43 WeakPolarHBondContact CA-O 3.33Å; Y31-K43 PolarHBondContact N-O 3.36Å; Y31-K43 PolarHBondContact O-N 3.37Å; L33-K43 HydrophobicContact CD1-CB 4.03Å; L33-K43 HydrophobicContact CD2-CB 4.06Å; L33-K43 HydrophobicContact CG-CB 4.11Å; K43-T52 HydrophobicContact CD-CG2 4.17Å; K43-T52 HydrophobicContact CG-CG2 3.78Å; K43-F105 HydrophobicContact CB-CD2 4.4Å; K43-F105 HydrophobicContact CB-CE2 4.1Å; K43-F105 HydrophobicContact CD-CE1 4.45Å; K43-F105 HydrophobicContact CD-CE2 4.05Å; K43-F105 HydrophobicContact CD-CZ 3.97Å; K43-F105 HydrophobicContact CG-CD2 4.24Å; K43-F105 HydrophobicContact CG-CE2 4.07Å; K43-F105 HydrophobicContact CG-CZ 4.45Å
44	A	96.7	Very high	88.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	171.8	171.3	0	0	0	0	0	110.9	T28 L30 T52 V53 I55	T28-A44 CarbonylContact O-C 3.6Å; T28-A44 WeakPolarHBondContact O-CA 3.29Å; T28-A44 VanDerWaalsContact O-CB 3.29Å; T28-A44 WeakPolarHBondContact O-CB 3.41Å; L30-A44 HydrophobicContact CD1-CB 4.01Å; L30-A44 HydrophobicContact CG-CB 4.34Å; A44-T52 WeakPolarHBondContact O-CA 3.36Å; A44-V53 HydrophobicContact CB-CG2 3.99Å; A44-V53 PolarHBondContact N-O 3.4Å; A44-V53 PolarHBondContact O-N 3.24Å; A44-I55 HydrophobicContact CB-CD1 3.36Å; A44-I55 HydrophobicContact CB-CG1 4.13Å
45	Q	97.8	Very high	89.2	Confident	60 Å²	60	52 Å²	52	28%	0.28	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.8	164.8	-56.4	-68.3	12.1	0	0	109.3	T28 D29 T52	T28-Q45 PolarHBondContact N-O 3.11Å; T28-Q45 PolarHBondContact O-N 2.77Å; T28-Q45 PolarHBondContact OG1-O 3.04Å; D29-Q45 HydrophobicContact CB-CG 4.23Å; D29-Q45 WeakPolarHBondContact OD2-CG 3.38Å; Q45-T52 PolarHBondContact NE2-OG1 2.96Å; Q45-T52 PolarHBondContact OE1-OG1 2.91Å
46	H	97.7	Very high	89.6	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.028	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.1	165.7	-171.8	-54	0	0	0	109.2	K26 D48 W49 R50 T51 V53	K26-H46 CarbonylContact O-C 3.58Å; K26-H46 WeakPolarHBondContact O-CA 3.07Å; H46-D48 IonicContact CE1-OD2 3.18Å; H46-D48 PolarHBondContact ND1-N 2.94Å; H46-D48 PolarHBondContact O-N 3.18Å; H46-W49 HydrophobicContact CB-CB 4.23Å; H46-W49 HydrophobicContact CB-CD2 4.19Å; H46-W49 HydrophobicContact CB-CE3 3.79Å; H46-W49 HydrophobicContact CB-CG 4.41Å; H46-W49 AromaticContact CD2-CD2 3.53Å; H46-W49 AromaticContact CD2-CE2 3.83Å; H46-W49 AromaticContact CD2-CE3 3.32Å; H46-W49 AromaticContact CD2-CH2 3.81Å; H46-W49 AromaticContact CD2-CZ2 3.98Å; H46-W49 AromaticContact CD2-CZ3 3.46Å; H46-W49 VanDerWaalsContact CD2-CZ3 3.46Å; H46-W49 WeakPolarHBondContact CD2-CZ3 3.36Å; H46-W49 AromaticContact CE1-CD2 3.86Å; H46-W49 AromaticContact CE1-CE2 3.83Å; H46-W49 AromaticContact CE1-CG 4Å; H46-W49 AromaticContact CE1-NE1 3.9Å; H46-W49 AromaticContact CG-CD2 3.55Å; H46-W49 AromaticContact CG-CE3 3.48Å; H46-W49 VanDerWaalsContact CG-CE3 3.48Å; H46-W49 AromaticContact CG-CG 3.87Å; H46-W49 AromaticContact ND1-CD2 3.76Å; H46-W49 AromaticContact ND1-CG 3.69Å; H46-W49 PolarHBondContact ND1-N 2.77Å; H46-W49 AromaticContact NE2-CD2 3.75Å; H46-W49 AromaticContact NE2-CE2 3.58Å; H46-W49 AromaticContact NE2-CE3 3.99Å; H46-W49 AromaticContact NE2-CH2 3.98Å; H46-W49 AromaticContact NE2-CZ2 3.72Å; H46-W49 PolarHBondContact O-N 2.84Å; H46-R50 WeakPolarHBondContact O-CA 3.36Å; H46-R50 PolarHBondContact O-N 2.93Å; H46-T51 PolarHBondContact N-O 3.32Å; H46-V53 HydrophobicContact CB-CG1 4.25Å
47	S	96.8	Very high	90.2	Very high	48 Å²	48	45 Å²	45	34%	0.336	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-42.9	-168.8	58.1	0	0	0	0	114.4	K26	K26-S47 WeakPolarHBondContact CD-OG 3.33Å; K26-S47 PolarHBondContact O-N 2.83Å; K26-S47 PolarHBondContact O-OG 3.2Å
48	D	96.9	Very high	90.5	Very high	92 Å²	92	44.1 Å²	44.1	49%	0.492	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-47.6	177.3	-57.5	-34.8	0	0	0	112.9	K26 H46 R50	K26-D48 VanDerWaalsContact CD-OD2 3.28Å; K26-D48 WeakPolarHBondContact CD-OD2 3.42Å; K26-D48 WeakPolarHBondContact CE-OD2 3.47Å; K26-D48 IonicContact NZ-OD1 3.89Å; K26-D48 PolarHBondContact NZ-OD1 3.12Å; K26-D48 IonicContact NZ-OD2 2.71Å; K26-D48 PolarHBondContact NZ-OD2 3.36Å; H46-D48 IonicContact CE1-OD2 3.18Å; H46-D48 PolarHBondContact ND1-N 2.94Å; H46-D48 PolarHBondContact O-N 3.18Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 2.9Å
49	W	96.6	Very high	90.5	Very high	109 Å²	109	46.6 Å²	46.6	41%	0.413	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.3	-176.8	-52.8	-21.5	0	0	0	113.6	I22 H46 T51 F90	I22-W49 HydrophobicContact CD1-CH2 3.68Å; I22-W49 HydrophobicContact CD1-CZ3 4.12Å; I22-W49 HydrophobicContact CG1-CH2 4.11Å; H46-W49 HydrophobicContact CB-CB 4.23Å; H46-W49 HydrophobicContact CB-CD2 4.19Å; H46-W49 HydrophobicContact CB-CE3 3.79Å; H46-W49 HydrophobicContact CB-CG 4.41Å; H46-W49 AromaticContact CD2-CD2 3.53Å; H46-W49 AromaticContact CD2-CE2 3.83Å; H46-W49 AromaticContact CD2-CE3 3.32Å; H46-W49 AromaticContact CD2-CH2 3.81Å; H46-W49 AromaticContact CD2-CZ2 3.98Å; H46-W49 AromaticContact CD2-CZ3 3.46Å; H46-W49 VanDerWaalsContact CD2-CZ3 3.46Å; H46-W49 WeakPolarHBondContact CD2-CZ3 3.36Å; H46-W49 AromaticContact CE1-CD2 3.86Å; H46-W49 AromaticContact CE1-CE2 3.83Å; H46-W49 AromaticContact CE1-CG 4Å; H46-W49 AromaticContact CE1-NE1 3.9Å; H46-W49 AromaticContact CG-CD2 3.55Å; H46-W49 AromaticContact CG-CE3 3.48Å; H46-W49 VanDerWaalsContact CG-CE3 3.48Å; H46-W49 AromaticContact CG-CG 3.87Å; H46-W49 AromaticContact ND1-CD2 3.76Å; H46-W49 AromaticContact ND1-CG 3.69Å; H46-W49 PolarHBondContact ND1-N 2.77Å; H46-W49 AromaticContact NE2-CD2 3.75Å; H46-W49 AromaticContact NE2-CE2 3.58Å; H46-W49 AromaticContact NE2-CE3 3.99Å; H46-W49 AromaticContact NE2-CH2 3.98Å; H46-W49 AromaticContact NE2-CZ2 3.72Å; H46-W49 PolarHBondContact O-N 2.84Å; W49-T51 PolarHBondContact O-N 3.41Å; W49-T51 PolarHBondContact O-OG1 2.93Å; W49-F90 HydrophobicContact CH2-CB 3.94Å; W49-F90 HydrophobicContact CZ3-CB 3.67Å; W49-F90 HydrophobicContact CZ3-CD2 4.07Å; W49-F90 HydrophobicContact CZ3-CG 4.13Å
50	R	95.1	Very high	89.4	Confident	223 Å²	223	51.5 Å²	51.5	84%	0.842	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	30.1	-176.5	-54.9	-179.5	-179.4	-178	-0.9	113.7	H46 D48	H46-R50 WeakPolarHBondContact O-CA 3.36Å; H46-R50 PolarHBondContact O-N 2.93Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 2.9Å
51	T	95.8	Very high	88	Confident	67 Å²	67	56.9 Å²	56.9	41%	0.411	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.7	-173.3	-64.4	0	0	0	0	110	H46 W49	H46-T51 PolarHBondContact N-O 3.32Å; W49-T51 PolarHBondContact O-N 3.41Å; W49-T51 PolarHBondContact O-OG1 2.93Å
52	T	97.4	Very high	86.2	Confident	41 Å²	41	59.8 Å²	59.8	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.1	174.4	-56.8	0	0	0	0	110.5	K43 A44 Q45 F105	K43-T52 HydrophobicContact CD-CG2 4.17Å; K43-T52 HydrophobicContact CG-CG2 3.78Å; A44-T52 WeakPolarHBondContact O-CA 3.36Å; Q45-T52 PolarHBondContact NE2-OG1 2.96Å; Q45-T52 PolarHBondContact OE1-OG1 2.91Å; T52-F105 HydrophobicContact CG2-CB 3.78Å; T52-F105 HydrophobicContact CG2-CD1 3.62Å; T52-F105 HydrophobicContact CG2-CD2 4.28Å; T52-F105 HydrophobicContact CG2-CE1 4.31Å; T52-F105 HydrophobicContact CG2-CG 3.61Å; T52-F105 WeakPolarHBondContact O-CB 3.39Å
53	V	97.4	Very high	84.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.3	-179	-60	0	0	0	0	110.7	L27 A44 H46 I55 F90 V102 T103	L27-V53 HydrophobicContact CD2-CG2 4.11Å; A44-V53 HydrophobicContact CB-CG2 3.99Å; A44-V53 PolarHBondContact N-O 3.4Å; A44-V53 PolarHBondContact O-N 3.24Å; H46-V53 HydrophobicContact CB-CG1 4.25Å; V53-I55 HydrophobicContact CG2-CG1 4.17Å; V53-F90 HydrophobicContact CG1-CD2 3.81Å; V53-F90 HydrophobicContact CG1-CE2 4.03Å; V53-V102 HydrophobicContact CB-CG1 3.7Å; V53-V102 HydrophobicContact CG1-CG1 3.99Å; V53-V102 HydrophobicContact CG2-CG1 3.81Å; V53-T103 WeakPolarHBondContact CA-O 3.23Å; V53-T103 WeakPolarHBondContact CB-O 3.44Å
54	A	96.1	Very high	83.2	Confident	13 Å²	13	57.8 Å²	57.8	11%	0.107	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.5	162.4	0	0	0	0	0	109.2	F42 V102 T103 F105	F42-A54 CarbonylContact O-C 3.56Å; F42-A54 WeakPolarHBondContact O-CA 3.37Å; A54-V102 WeakPolarHBondContact O-CA 3.46Å; A54-T103 PolarHBondContact N-O 3.19Å; A54-T103 PolarHBondContact O-N 2.82Å; A54-F105 HydrophobicContact CB-CD2 4.38Å
55	I	92.8	Very high	82.2	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.4	179.5	-55.6	171.4	0	0	0	108.4	L27 L30 V41 F42 A44 V53 F98 C100 I101	L27-I55 HydrophobicContact CB-CD1 3.96Å; L27-I55 HydrophobicContact CD1-CD1 3.86Å; L27-I55 HydrophobicContact CD1-CG1 4.48Å; L27-I55 HydrophobicContact CD2-CD1 4.13Å; L27-I55 HydrophobicContact CG-CD1 4.19Å; L30-I55 HydrophobicContact CD1-CD1 4.42Å; L30-I55 HydrophobicContact CG-CD1 4.34Å; V41-I55 CarbonylContact C-O 3.54Å; V41-I55 VanDerWaalsContact CA-O 3.3Å; V41-I55 WeakPolarHBondContact CA-O 3.43Å; F42-I55 HydrophobicContact CB-CB 4.42Å; F42-I55 PolarHBondContact N-O 3.29Å; F42-I55 PolarHBondContact O-N 3.44Å; A44-I55 HydrophobicContact CB-CD1 3.36Å; A44-I55 HydrophobicContact CB-CG1 4.13Å; V53-I55 HydrophobicContact CG2-CG1 4.17Å; I55-F98 HydrophobicContact CG2-CE1 4.23Å; I55-F98 HydrophobicContact CG2-CZ 4.17Å; I55-C100 HydrophobicContact CG2-CB 3.58Å; I55-C100 WeakPolarHBondContact CG2-SG 3.24Å; I55-I101 CarbonylContact C-O 3.54Å; I55-I101 WeakPolarHBondContact CA-O 3.19Å
56	K	88.1	Confident	81	Confident	19 Å²	19	70 Å²	70	8%	0.083	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	105.2	177.5	-176.3	-176.2	-179.9	-173.7	0	110	F38 V41 E74 C100 I101 D172	F38-K56 WeakPolarHBondContact O-CE 3.43Å; V41-K56 HydrophobicContact CG2-CG 4.46Å; K56-E74 IonicContact NZ-OE1 2.7Å; K56-E74 PolarHBondContact NZ-OE1 3.45Å; K56-C100 WeakPolarHBondContact O-CA 3.42Å; K56-C100 WeakPolarHBondContact O-CB 3.4Å; K56-I101 PolarHBondContact N-O 3.13Å; K56-I101 PolarHBondContact O-N 3.08Å; K56-D172 IonicContact NZ-OD1 3.69Å; K56-D172 PolarHBondContact NZ-OD1 2.76Å; K56-D172 IonicContact NZ-OD2 3.63Å; K56-D172 PolarHBondContact NZ-OD2 2.61Å; K56-D172 VanDerWaalsContact NZ-OD2 3.09Å
57	C	81.8	Confident	79.8	Confident	4 Å²	4	70.9 Å²	70.9	3%	0.027	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.8	179.1	-56.1	0	0	0	0	110.7	G39 T40 F42 F98 C100	G39-C57 CarbonylContact C-O 3.6Å; G39-C57 VanDerWaalsContact CA-O 3.25Å; G39-C57 WeakPolarHBondContact CA-O 3.42Å; T40-C57 PolarHBondContact N-O 3.06Å; T40-C57 PolarHBondContact O-N 2.97Å; F42-C57 HydrophobicContact CE2-CB 4.41Å; C57-F98 VanDerWaalsContact SG-CZ 3.55Å; C57-C100 HydrophobicContact CB-CB 4.29Å; C57-C100 VanDerWaalsContact SG-CB 3.58Å
58	L	69.6	Low	78.8	Confident	26 Å²	26	70.9 Å²	70.9	14%	0.136	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-71.2	166.9	168	-66.1	-179.3	0	0	0	111.3	L60 L71 F99	L58-L60 PolarHBondContact O-N 2.89Å; L58-L60 VanDerWaalsContact O-N 3.15Å; L58-L71 HydrophobicContact CD1-CB 4.07Å; L58-L71 HydrophobicContact CD1-CD1 3.89Å; L58-L71 HydrophobicContact CD2-CD1 4.38Å; L58-L71 HydrophobicContact CG-CD1 3.72Å; L58-F99 HydrophobicContact CD1-CD1 4.48Å; L58-F99 HydrophobicContact CD1-CE1 4.34Å
59	K	63	Low	77.9	Confident	92 Å²	92	73.6 Å²	73.6	40%	0.4	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-58.6	117.7	174	-67.8	-179.3	179.5	177.1	0	109.6	D61	K59-D61 PolarHBondContact O-N 3.16Å
60	L	53.9	Low	76.7	Confident	109 Å²	109	70.4 Å²	70.4	57%	0.571	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-65.6	-26.2	-174.1	-70.2	82.1	0	0	0	112.7	L58 S62	L58-L60 PolarHBondContact O-N 2.89Å; L58-L60 VanDerWaalsContact O-N 3.15Å; L60-S62 PolarHBondContact O-N 3Å
61	D	54.3	Low	75.8	Confident	125 Å²	125	60 Å²	60	67%	0.668	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-58	-14.1	-166.7	-40.1	-42.7	0	0	0	115.5	K59	K59-D61 PolarHBondContact O-N 3.16Å
62	S	52.5	Low	75.1	Confident	100 Å²	100	59.7 Å²	59.7	70%	0.699	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-177.6	86.5	158.4	27.8	0	0	0	0	111.4	L60 G64	L60-S62 PolarHBondContact O-N 3Å; S62-G64 VanDerWaalsContact C-N 3.3Å; S62-G64 PolarHBondContact O-N 3.28Å
63	V	57.7	Low	74.3	Confident	49 Å²	49	64.3 Å²	64.3	30%	0.297	32%	0.323	S	S	.	.			trans	-76	82.9	171.4	-173.2	0	0	0	0	109.8	E67 R68 F99	V63-E67 HydrophobicContact CG1-CB 4.4Å; V63-R68 HydrophobicContact CG1-CB 4.11Å; V63-F99 HydrophobicContact CG1-CD1 3.9Å; V63-F99 HydrophobicContact CG1-CE1 4.42Å
64	G	68.8	Low	73.3	Confident	29 Å²	29	65.5 Å²	65.5	30%	0.299	33%	0.328	S	S	.	.			trans	-64.9	161.4	171.7	0	0	0	0	0	112.6	S62 R66 E67 R68	S62-G64 VanDerWaalsContact C-N 3.3Å; S62-G64 PolarHBondContact O-N 3.28Å; G64-R66 PolarHBondContact O-N 3.13Å; G64-R66 VanDerWaalsContact O-N 3.08Å; G64-E67 WeakPolarHBondContact CA-OE2 3.49Å; G64-E67 WeakPolarHBondContact O-CB 3.49Å; G64-E67 PolarHBondContact O-N 3.38Å; G64-R68 PolarHBondContact O-N 3.12Å
65	E	75.4	Confident	72.8	Confident	137 Å²	137	64.9 Å²	64.9	64%	0.64	32%	0.323	S	S	*	.	H	α-helix	trans	-57.5	-28.2	-178.3	-172.1	55	-141.1	0	0	113.2	K69	E65-K69 WeakPolarHBondContact O-CB 3.37Å; E65-K69 PolarHBondContact O-N 3.36Å
66	R	73.6	Confident	72.5	Confident	181 Å²	181	69.2 Å²	69.2	68%	0.683	34%	0.344	S	S	*	.	H	α-helix	trans	-70.5	-48.6	174.9	-61.4	-179.9	-63.3	-174.3	-5	111.3	G64 R68 K69 C70	G64-R66 PolarHBondContact O-N 3.13Å; G64-R66 VanDerWaalsContact O-N 3.08Å; R66-R68 VanDerWaalsContact C-N 3.31Å; R66-K69 PolarHBondContact O-N 3.09Å; R66-C70 WeakPolarHBondContact O-CB 3.27Å; R66-C70 PolarHBondContact O-N 2.97Å; R66-C70 PolarHBondContact O-SG 3.47Å
67	E	71.9	Confident	72.3	Confident	25 Å²	25	70 Å²	70	12%	0.117	35%	0.35	C	S	.	.	H	α-helix	trans	-58.6	-43.8	175.5	-68.3	75.2	-177.2	0	0	110.3	V63 G64 C70 L71 W178 K185	V63-E67 HydrophobicContact CG1-CB 4.4Å; G64-E67 WeakPolarHBondContact CA-OE2 3.49Å; G64-E67 WeakPolarHBondContact O-CB 3.49Å; G64-E67 PolarHBondContact O-N 3.38Å; E67-C70 PolarHBondContact O-N 3.49Å; E67-L71 PolarHBondContact O-N 3.21Å; E67-W178 HydrophobicContact CB-CZ2 4.43Å; E67-W178 HydrophobicContact CG-CH2 4.09Å; E67-W178 HydrophobicContact CG-CZ2 4.05Å; E67-K185 IonicContact OE1-NZ 3.81Å; E67-K185 PolarHBondContact OE1-NZ 3.03Å
68	R	76.9	Confident	72.6	Confident	47 Å²	47	70.3 Å²	70.3	18%	0.177	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-53.9	173.8	-162.8	174	176.6	94.3	-9.4	112.4	V63 G64 R66 C70 L71 L72 N94 E95 F99	V63-R68 HydrophobicContact CG1-CB 4.11Å; G64-R68 PolarHBondContact O-N 3.12Å; R66-R68 VanDerWaalsContact C-N 3.31Å; R68-C70 PolarHBondContact O-N 3.42Å; R68-C70 VanDerWaalsContact O-N 3.17Å; R68-L71 PolarHBondContact O-N 3.09Å; R68-L72 PolarHBondContact O-N 2.88Å; R68-N94 VanDerWaalsContact CZ-OD1 3.28Å; R68-N94 PolarHBondContact NH2-O 3.2Å; R68-N94 PolarHBondContact NH2-OD1 3.1Å; R68-E95 PolarHBondContact NH1-O 3.5Å; R68-F99 HydrophobicContact CB-CE1 4.19Å; R68-F99 HydrophobicContact CB-CZ 4.25Å; R68-F99 HydrophobicContact CG-CD1 4.34Å; R68-F99 HydrophobicContact CG-CD2 4.25Å; R68-F99 HydrophobicContact CG-CE1 3.86Å; R68-F99 HydrophobicContact CG-CE2 3.78Å; R68-F99 HydrophobicContact CG-CZ 3.56Å; R68-F99 VanDerWaalsContact O-CZ 3.24Å; R68-F99 WeakPolarHBondContact O-CZ 3.5Å
69	K	78.1	Confident	73.6	Confident	150 Å²	150	70 Å²	70	65%	0.652	35%	0.349	S	S	*	.	H	α-helix	trans	-60.2	-26.1	178.6	-175.5	168.3	-176.7	168.9	0	113.7	E65 R66 K73	E65-K69 WeakPolarHBondContact O-CB 3.37Å; E65-K69 PolarHBondContact O-N 3.36Å; R66-K69 PolarHBondContact O-N 3.09Å; K69-K73 PolarHBondContact O-N 3.25Å
70	C	71.1	Confident	74.8	Confident	42 Å²	42	71.4 Å²	71.4	28%	0.284	36%	0.355	S	S	.	.	H	α-helix	trans	-75.1	-44.1	177.3	-73.5	0	0	0	0	113.1	R66 E67 R68 L72 K73 E74 W178	R66-C70 WeakPolarHBondContact O-CB 3.27Å; R66-C70 PolarHBondContact O-N 2.97Å; R66-C70 PolarHBondContact O-SG 3.47Å; E67-C70 PolarHBondContact O-N 3.49Å; R68-C70 PolarHBondContact O-N 3.42Å; R68-C70 VanDerWaalsContact O-N 3.17Å; C70-L72 VanDerWaalsContact C-N 3.33Å; C70-L72 PolarHBondContact O-N 3.43Å; C70-K73 CarbonylContact O-C 3.57Å; C70-K73 WeakPolarHBondContact O-CA 3.48Å; C70-K73 WeakPolarHBondContact O-CB 3.49Å; C70-K73 PolarHBondContact O-N 3.43Å; C70-K73 VanDerWaalsContact O-N 3.09Å; C70-E74 PolarHBondContact O-N 3.03Å; C70-W178 HydrophobicContact CB-CZ2 4.47Å; C70-W178 PolarHBondContact SG-NE1 3.26Å
71	L	75.3	Confident	76.6	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-66.3	-35.9	175	-177.1	150.4	0	0	0	111.7	L58 E67 R68 K73 E74 A75 I92 F99 I101	L58-L71 HydrophobicContact CD1-CB 4.07Å; L58-L71 HydrophobicContact CD1-CD1 3.89Å; L58-L71 HydrophobicContact CD2-CD1 4.38Å; L58-L71 HydrophobicContact CG-CD1 3.72Å; E67-L71 PolarHBondContact O-N 3.21Å; R68-L71 PolarHBondContact O-N 3.09Å; L71-K73 PolarHBondContact O-N 3.39Å; L71-E74 WeakPolarHBondContact O-CB 3.49Å; L71-E74 PolarHBondContact O-N 3.39Å; L71-E74 VanDerWaalsContact O-N 3.16Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 2.89Å; L71-I92 HydrophobicContact CD2-CG2 4.21Å; L71-F99 HydrophobicContact CB-CE1 3.48Å; L71-F99 VanDerWaalsContact CB-CE1 3.48Å; L71-F99 HydrophobicContact CB-CZ 3.72Å; L71-F99 HydrophobicContact CD1-CD1 4.21Å; L71-F99 HydrophobicContact CD1-CE1 3.87Å; L71-F99 HydrophobicContact CD1-CZ 4.44Å; L71-F99 HydrophobicContact CD2-CE1 3.81Å; L71-F99 HydrophobicContact CD2-CE2 4.04Å; L71-F99 HydrophobicContact CD2-CZ 3.52Å; L71-F99 HydrophobicContact CG-CE1 3.92Å; L71-F99 HydrophobicContact CG-CZ 4.07Å; L71-I101 HydrophobicContact CD1-CG1 4Å; L71-I101 HydrophobicContact CD2-CD1 4.31Å; L71-I101 HydrophobicContact CD2-CG1 3.62Å; L71-I101 HydrophobicContact CG-CD1 4.02Å; L71-I101 HydrophobicContact CG-CG1 3.73Å
72	L	82.4	Confident	78.4	Confident	61 Å²	61	65.1 Å²	65.1	32%	0.319	31%	0.314	S	S	.	.	H	α-helix	trans	-57.4	-34.3	172.4	-67.5	179.4	0	0	0	111.6	R68 C70 E76 I92 F99	R68-L72 PolarHBondContact O-N 2.88Å; C70-L72 VanDerWaalsContact C-N 3.33Å; C70-L72 PolarHBondContact O-N 3.43Å; L72-E76 WeakPolarHBondContact O-CB 3.45Å; L72-E76 PolarHBondContact O-N 3.4Å; L72-I92 HydrophobicContact CD2-CD1 3.45Å; L72-I92 VanDerWaalsContact CD2-CD1 3.45Å; L72-F99 HydrophobicContact CD2-CE2 4.08Å; L72-F99 HydrophobicContact CD2-CZ 4.27Å; L72-F99 HydrophobicContact CG-CE2 4.38Å; L72-F99 HydrophobicContact CG-CZ 4.16Å
73	K	79.2	Confident	80.5	Confident	139 Å²	139	63.3 Å²	63.3	60%	0.604	29%	0.294	S	S	*	.	H	α-helix	trans	-78.2	-36.2	175.2	-172.7	173.6	-179.3	173.1	0	113.3	K69 C70 L71 A75 E76 V77	K69-K73 PolarHBondContact O-N 3.25Å; C70-K73 CarbonylContact O-C 3.57Å; C70-K73 WeakPolarHBondContact O-CA 3.48Å; C70-K73 WeakPolarHBondContact O-CB 3.49Å; C70-K73 PolarHBondContact O-N 3.43Å; C70-K73 VanDerWaalsContact O-N 3.09Å; L71-K73 PolarHBondContact O-N 3.39Å; K73-A75 VanDerWaalsContact C-N 3.34Å; K73-E76 PolarHBondContact O-N 3.04Å; K73-V77 WeakPolarHBondContact O-CB 3.44Å; K73-V77 VanDerWaalsContact O-CG2 3.26Å; K73-V77 WeakPolarHBondContact O-CG2 3.34Å; K73-V77 PolarHBondContact O-N 3.2Å
74	E	77.1	Confident	82.4	Confident	24 Å²	24	66.6 Å²	66.6	11%	0.112	31%	0.31	C	S	.	.	H	α-helix	trans	-58	-49	169.7	-176.6	-174.2	169.3	0	0	110	K56 C70 L71 V77 L78 I101 L175	K56-E74 IonicContact NZ-OE1 2.7Å; K56-E74 PolarHBondContact NZ-OE1 3.45Å; C70-E74 PolarHBondContact O-N 3.03Å; L71-E74 WeakPolarHBondContact O-CB 3.49Å; L71-E74 PolarHBondContact O-N 3.39Å; L71-E74 VanDerWaalsContact O-N 3.16Å; E74-V77 WeakPolarHBondContact O-CB 3.46Å; E74-V77 PolarHBondContact O-N 2.94Å; E74-V77 VanDerWaalsContact O-N 3.16Å; E74-L78 HydrophobicContact CG-CD1 4.01Å; E74-L78 PolarHBondContact O-N 3.49Å; E74-I101 HydrophobicContact CB-CD1 4.2Å; E74-I101 HydrophobicContact CG-CD1 3.75Å; E74-L175 VanDerWaalsContact CD-CD2 3.49Å; E74-L175 HydrophobicContact CG-CD2 4.24Å
75	A	85.6	Confident	83.7	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-39.8	177.4	0	0	0	0	0	112.9	L19 L71 K73 V77 H79 I89 I92 I101	L19-A75 HydrophobicContact CD2-CB 3.74Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 2.89Å; K73-A75 VanDerWaalsContact C-N 3.34Å; A75-V77 VanDerWaalsContact C-N 3.3Å; A75-V77 PolarHBondContact O-N 2.9Å; A75-H79 WeakPolarHBondContact O-CB 3.37Å; A75-H79 PolarHBondContact O-N 3.28Å; A75-I89 HydrophobicContact CB-CD1 3.67Å; A75-I92 HydrophobicContact CB-CG2 3.58Å; A75-I101 HydrophobicContact CB-CD1 4.2Å; A75-I101 HydrophobicContact CB-CG1 4.3Å
76	E	85.8	Confident	84.8	Confident	92 Å²	92	59.9 Å²	59.9	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-38.1	172	-170	-164.5	172	0	0	112.1	L72 K73 K80	L72-E76 WeakPolarHBondContact O-CB 3.45Å; L72-E76 PolarHBondContact O-N 3.4Å; K73-E76 PolarHBondContact O-N 3.04Å; E76-K80 WeakPolarHBondContact O-CG 3.4Å; E76-K80 PolarHBondContact O-N 2.74Å; E76-K80 WeakPolarHBondContact OE1-CE 3.49Å; E76-K80 IonicContact OE1-NZ 3.71Å; E76-K80 PolarHBondContact OE1-NZ 2.96Å
77	V	84.4	Confident	85.8	Confident	36 Å²	36	51.7 Å²	51.7	22%	0.218	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-49.3	178.4	165.5	0	0	0	0	111.2	K73 E74 A75 H79 K80 A81 L150 F173	K73-V77 WeakPolarHBondContact O-CB 3.44Å; K73-V77 VanDerWaalsContact O-CG2 3.26Å; K73-V77 WeakPolarHBondContact O-CG2 3.34Å; K73-V77 PolarHBondContact O-N 3.2Å; E74-V77 WeakPolarHBondContact O-CB 3.46Å; E74-V77 PolarHBondContact O-N 2.94Å; E74-V77 VanDerWaalsContact O-N 3.16Å; A75-V77 VanDerWaalsContact C-N 3.3Å; A75-V77 PolarHBondContact O-N 2.9Å; V77-H79 PolarHBondContact O-N 2.72Å; V77-K80 PolarHBondContact O-N 3.03Å; V77-K80 VanDerWaalsContact O-N 3.16Å; V77-A81 WeakPolarHBondContact O-CB 3.4Å; V77-A81 PolarHBondContact O-N 3Å; V77-L150 HydrophobicContact CG1-CD1 3.84Å; V77-L150 HydrophobicContact CG1-CD2 3.45Å; V77-L150 VanDerWaalsContact CG1-CD2 3.45Å; V77-L150 HydrophobicContact CG1-CG 4.32Å; V77-F173 HydrophobicContact CG1-CD2 4.48Å; V77-F173 HydrophobicContact CG1-CE2 4.22Å
78	L	87.9	Confident	86.9	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-53.8	-42.1	171.3	-80.5	153	0	0	0	111.8	E74 K80 A81 I87 I89 I101 F173	E74-L78 HydrophobicContact CG-CD1 4.01Å; E74-L78 PolarHBondContact O-N 3.49Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.39Å; L78-A81 PolarHBondContact O-N 2.94Å; L78-I87 HydrophobicContact CD2-CG2 3.7Å; L78-I89 HydrophobicContact CB-CB 4.07Å; L78-I89 HydrophobicContact CB-CD1 4.23Å; L78-I89 HydrophobicContact CB-CG2 3.89Å; L78-I101 HydrophobicContact CD1-CD1 3.67Å; L78-I101 HydrophobicContact CD1-CG2 4.29Å; L78-F173 HydrophobicContact CD2-CD1 4.49Å; L78-F173 HydrophobicContact CD2-CE1 3.54Å; L78-F173 HydrophobicContact CD2-CE2 4.28Å; L78-F173 HydrophobicContact CD2-CZ 3.43Å; L78-F173 VanDerWaalsContact CD2-CZ 3.43Å; L78-F173 HydrophobicContact CG-CE2 4.45Å; L78-F173 HydrophobicContact CG-CZ 4.03Å
79	H	90.7	Very high	87.7	Confident	21 Å²	21	50.6 Å²	50.6	10%	0.097	24%	0.238	C	C	.	.	H	α-helix	trans	-69.8	-24.3	-177.8	178.9	83.9	0	0	0	113.6	S17 T18 L19 A75 V77 R82 I89	S17-H79 PolarHBondContact O-NE2 2.91Å; T18-H79 PolarHBondContact O-CE1 2.76Å; T18-H79 VanDerWaalsContact O-CE1 3.23Å; L19-H79 VanDerWaalsContact CA-CE1 3.48Å; L19-H79 WeakPolarHBondContact CA-CE1 3.3Å; L19-H79 HydrophobicContact CD1-CB 4.16Å; L19-H79 PolarHBondContact N-CE1 3.48Å; A75-H79 WeakPolarHBondContact O-CB 3.37Å; A75-H79 PolarHBondContact O-N 3.28Å; V77-H79 PolarHBondContact O-N 2.72Å; H79-R82 PolarHBondContact CE1-NH2 3.46Å; H79-R82 PolarHBondContact ND1-NH2 2.94Å; H79-R82 WeakPolarHBondContact O-CD 3.35Å; H79-R82 WeakPolarHBondContact O-CG 3.47Å; H79-R82 PolarHBondContact O-NE 3.26Å; H79-R82 VanDerWaalsContact O-NE 3.17Å; H79-I89 VanDerWaalsContact CA-CG2 3.48Å; H79-I89 HydrophobicContact CB-CG2 3.86Å
80	K	89.1	Confident	88.5	Confident	120 Å²	120	46.2 Å²	46.2	52%	0.522	22%	0.218	S	C	.	.	H	α-helix	trans	-86.3	-32.5	171.8	-69.9	170.6	-172.3	174	0	112.5	E76 V77 L78 R82 M146	E76-K80 WeakPolarHBondContact O-CG 3.4Å; E76-K80 PolarHBondContact O-N 2.74Å; E76-K80 WeakPolarHBondContact OE1-CE 3.49Å; E76-K80 IonicContact OE1-NZ 3.71Å; E76-K80 PolarHBondContact OE1-NZ 2.96Å; V77-K80 PolarHBondContact O-N 3.03Å; V77-K80 VanDerWaalsContact O-N 3.16Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.39Å; K80-R82 PolarHBondContact O-N 3.38Å; K80-M146 HydrophobicContact CB-CE 4.11Å
81	A	90.9	Very high	89.6	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.008	21%	0.205	C	C	.	.			trans	-80.5	46.7	-178	0	0	0	0	0	113.3	V77 L78 F83 I86 F142 L143 M146 L150 F173	V77-A81 WeakPolarHBondContact O-CB 3.4Å; V77-A81 PolarHBondContact O-N 3Å; L78-A81 PolarHBondContact O-N 2.94Å; A81-F83 PolarHBondContact O-N 2.86Å; A81-I86 HydrophobicContact CB-CG2 4.37Å; A81-I86 WeakPolarHBondContact O-CB 3.28Å; A81-I86 WeakPolarHBondContact O-CG2 3.42Å; A81-F142 HydrophobicContact CB-CE1 4.34Å; A81-L143 HydrophobicContact CB-CD2 3.89Å; A81-M146 HydrophobicContact CB-CE 4.07Å; A81-M146 HydrophobicContact CB-SD 3.91Å; A81-L150 HydrophobicContact CB-CD2 4.1Å; A81-F173 HydrophobicContact CB-CE2 3.57Å; A81-F173 HydrophobicContact CB-CZ 3.71Å
82	R	92.3	Very high	90.5	Very high	101 Å²	101	44.6 Å²	44.6	38%	0.381	21%	0.207	S	C	.	.			trans	-82.6	107.7	-178.4	-69.3	175.1	173.3	-175.3	-9.2	111.2	S17 H79 K80	S17-R82 PolarHBondContact OG-NH1 3.48Å; H79-R82 PolarHBondContact CE1-NH2 3.46Å; H79-R82 PolarHBondContact ND1-NH2 2.94Å; H79-R82 WeakPolarHBondContact O-CD 3.35Å; H79-R82 WeakPolarHBondContact O-CG 3.47Å; H79-R82 PolarHBondContact O-NE 3.26Å; H79-R82 VanDerWaalsContact O-NE 3.17Å; K80-R82 PolarHBondContact O-N 3.38Å
83	F	96.3	Very high	90.9	Very high	62 Å²	62	41.7 Å²	41.7	27%	0.272	19%	0.192	S	C	.	.			trans	-154.3	156.3	176.6	176.9	-113.4	0	0	0	110.1	A81 H85 I86 L138 F142	A81-F83 PolarHBondContact O-N 2.86Å; F83-H85 HydrophobicContact CD1-CB 4.35Å; F83-H85 HydrophobicContact CE1-CB 4.22Å; F83-H85 AromaticContact CE1-CD2 3.7Å; F83-H85 PolarHBondContact O-N 3.12Å; F83-H85 VanDerWaalsContact O-N 3.11Å; F83-I86 HydrophobicContact CB-CG1 3.98Å; F83-I86 HydrophobicContact CD1-CG1 4.18Å; F83-I86 PolarHBondContact O-N 3.35Å; F83-L138 HydrophobicContact CE1-CB 4.16Å; F83-L138 HydrophobicContact CZ-CB 4.35Å; F83-F142 HydrophobicContact CB-CB 4.44Å; F83-F142 HydrophobicContact CB-CD1 3.41Å; F83-F142 VanDerWaalsContact CB-CD1 3.41Å; F83-F142 HydrophobicContact CB-CD2 3.85Å; F83-F142 HydrophobicContact CB-CE1 3.47Å; F83-F142 VanDerWaalsContact CB-CE1 3.47Å; F83-F142 HydrophobicContact CB-CE2 3.89Å; F83-F142 HydrophobicContact CB-CG 3.61Å; F83-F142 HydrophobicContact CB-CZ 3.71Å; F83-F142 HydrophobicContact CD1-CB 3.64Å; F83-F142 HydrophobicContact CD1-CD1 4.02Å; F83-F142 HydrophobicContact CD1-CD2 4.46Å; F83-F142 AromaticContact CD1-CG 3.78Å; F83-F142 HydrophobicContact CD1-CG 3.78Å; F83-F142 HydrophobicContact CD2-CB 4.42Å; F83-F142 AromaticContact CD2-CD2 3.98Å; F83-F142 HydrophobicContact CD2-CD2 3.98Å; F83-F142 HydrophobicContact CD2-CE2 4.48Å; F83-F142 HydrophobicContact CD2-CG 4.12Å; F83-F142 HydrophobicContact CE1-CB 3.9Å; F83-F142 HydrophobicContact CE1-CG 4.46Å; F83-F142 HydrophobicContact CG-CB 3.93Å; F83-F142 AromaticContact CG-CD1 3.85Å; F83-F142 HydrophobicContact CG-CD1 3.85Å; F83-F142 AromaticContact CG-CD2 3.86Å; F83-F142 HydrophobicContact CG-CD2 3.86Å; F83-F142 HydrophobicContact CG-CE1 4.36Å; F83-F142 HydrophobicContact CG-CE2 4.36Å; F83-F142 AromaticContact CG-CG 3.58Å; F83-F142 HydrophobicContact CG-CG 3.58Å; F83-F142 HydrophobicContact CZ-CB 4.4Å
84	N	96.8	Very high	91.3	Very high	118 Å²	118	37.9 Å²	37.9	63%	0.631	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-43	-170.7	-68	1.3	0	0	0	113.4	K169	N84-K169 VanDerWaalsContact O-CD 3.22Å; N84-K169 WeakPolarHBondContact O-CD 3.34Å; N84-K169 WeakPolarHBondContact O-CE 3.22Å; N84-K169 PolarHBondContact O-NZ 3.01Å
85	H	98.1	Very high	91.8	Very high	24 Å²	24	39.3 Å²	39.3	11%	0.111	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	15.1	-175.5	-54	-59.9	0	0	0	114.3	F83 E135 V168 I170	F83-H85 HydrophobicContact CD1-CB 4.35Å; F83-H85 HydrophobicContact CE1-CB 4.22Å; F83-H85 AromaticContact CE1-CD2 3.7Å; F83-H85 PolarHBondContact O-N 3.12Å; F83-H85 VanDerWaalsContact O-N 3.11Å; H85-E135 WeakPolarHBondContact CB-O 3.48Å; H85-E135 VanDerWaalsContact CE1-CD 3.48Å; H85-E135 VanDerWaalsContact CE1-CG 3.41Å; H85-E135 WeakPolarHBondContact CE1-CG 3.42Å; H85-E135 IonicContact CE1-OE1 2.72Å; H85-E135 IonicContact CE1-OE2 3.88Å; H85-E135 IonicContact ND1-OE2 2.78Å; H85-V168 VanDerWaalsContact CA-O 3.28Å; H85-V168 WeakPolarHBondContact CA-O 3.38Å; H85-I170 WeakPolarHBondContact O-CG1 3.18Å; H85-I170 PolarHBondContact O-N 3.38Å
86	I	96.8	Very high	91.4	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-114.9	142.3	176.4	-54.4	-58.2	0	0	0	109	A81 F83 Q88 F142 L143 I170 F173	A81-I86 HydrophobicContact CB-CG2 4.37Å; A81-I86 WeakPolarHBondContact O-CB 3.28Å; A81-I86 WeakPolarHBondContact O-CG2 3.42Å; F83-I86 HydrophobicContact CB-CG1 3.98Å; F83-I86 HydrophobicContact CD1-CG1 4.18Å; F83-I86 PolarHBondContact O-N 3.35Å; I86-Q88 PolarHBondContact O-N 2.9Å; I86-F142 HydrophobicContact CG1-CD1 3.98Å; I86-F142 HydrophobicContact CG1-CE1 4.31Å; I86-L143 HydrophobicContact CD1-CD1 4.02Å; I86-L143 HydrophobicContact CD1-CD2 3.78Å; I86-L143 HydrophobicContact CD1-CG 3.82Å; I86-L143 HydrophobicContact CG1-CD2 4.11Å; I86-I170 HydrophobicContact CD1-CB 4Å; I86-I170 HydrophobicContact CD1-CD1 4.15Å; I86-I170 HydrophobicContact CD1-CG1 4.41Å; I86-F173 HydrophobicContact CG2-CD1 4.26Å; I86-F173 HydrophobicContact CG2-CE1 3.25Å; I86-F173 HydrophobicContact CG2-CE2 4.43Å; I86-F173 HydrophobicContact CG2-CZ 3.34Å
87	I	95.4	Very high	91	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.041	24%	0.241	C	C	.	.			trans	-63.6	121.3	-179.2	-161.3	73.9	0	0	0	111.3	L78 I89 T103 E104 M106 L161 K169 I170 A171 F173	L78-I87 HydrophobicContact CD2-CG2 3.7Å; I87-I89 PolarHBondContact O-N 3.2Å; I87-T103 HydrophobicContact CG1-CG2 4.44Å; I87-E104 HydrophobicContact CD1-CG 3.56Å; I87-E104 HydrophobicContact CG1-CG 4.1Å; I87-M106 HydrophobicContact CD1-CE 4.33Å; I87-M106 HydrophobicContact CD1-CG 3.62Å; I87-M106 HydrophobicContact CD1-SD 4.01Å; I87-L161 HydrophobicContact CD1-CD1 4.32Å; I87-K169 HydrophobicContact CB-CB 4.43Å; I87-K169 HydrophobicContact CD1-CB 3.78Å; I87-K169 HydrophobicContact CD1-CG 4.25Å; I87-I170 PolarHBondContact N-O 3.49Å; I87-A171 HydrophobicContact CB-CB 4.2Å; I87-A171 HydrophobicContact CG2-CB 3.96Å; I87-F173 HydrophobicContact CG2-CE1 4.25Å
88	Q	94	Very high	90.8	Very high	49 Å²	49	48.9 Å²	48.9	23%	0.229	24%	0.237	C	C	.	.			trans	-78.3	115.1	-177.7	-178	61.4	57	0	0	110.7	I86 F90 T103 E104	I86-Q88 PolarHBondContact O-N 2.9Å; Q88-F90 HydrophobicContact CB-CE1 4.45Å; Q88-F90 HydrophobicContact CG-CD1 4.01Å; Q88-F90 HydrophobicContact CG-CE1 3.84Å; Q88-T103 VanDerWaalsContact O-CA 3.29Å; Q88-T103 WeakPolarHBondContact O-CA 3.45Å; Q88-T103 WeakPolarHBondContact O-CB 3.38Å; Q88-E104 HydrophobicContact CB-CG 4.08Å; Q88-E104 WeakPolarHBondContact CB-OE1 3.46Å; Q88-E104 PolarHBondContact N-OE1 3Å; Q88-E104 PolarHBondContact O-N 2.96Å
89	I	94.5	Very high	90.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.8	165.6	-172.7	173.3	0	0	0	110.7	L19 A75 L78 H79 I87 I101	L19-I89 HydrophobicContact CD1-CD1 3.7Å; L19-I89 HydrophobicContact CD1-CG1 3.92Å; L19-I89 HydrophobicContact CD1-CG2 4.3Å; L19-I89 HydrophobicContact CD2-CD1 4.12Å; A75-I89 HydrophobicContact CB-CD1 3.67Å; L78-I89 HydrophobicContact CB-CB 4.07Å; L78-I89 HydrophobicContact CB-CD1 4.23Å; L78-I89 HydrophobicContact CB-CG2 3.89Å; H79-I89 VanDerWaalsContact CA-CG2 3.48Å; H79-I89 HydrophobicContact CB-CG2 3.86Å; I87-I89 PolarHBondContact O-N 3.2Å; I89-I101 HydrophobicContact CD1-CG2 3.65Å; I89-I101 HydrophobicContact CG1-CG2 3.85Å
90	F	95.3	Very high	90.5	Very high	57 Å²	57	48 Å²	48	25%	0.25	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-28.1	173.7	-62.7	-29.1	0	0	0	112.6	P20 W49 V53 Q88 V102 E104	P20-F90 WeakPolarHBondContact CD-O 3.35Å; P20-F90 WeakPolarHBondContact CG-O 3.48Å; W49-F90 HydrophobicContact CH2-CB 3.94Å; W49-F90 HydrophobicContact CZ3-CB 3.67Å; W49-F90 HydrophobicContact CZ3-CD2 4.07Å; W49-F90 HydrophobicContact CZ3-CG 4.13Å; V53-F90 HydrophobicContact CG1-CD2 3.81Å; V53-F90 HydrophobicContact CG1-CE2 4.03Å; Q88-F90 HydrophobicContact CB-CE1 4.45Å; Q88-F90 HydrophobicContact CG-CD1 4.01Å; Q88-F90 HydrophobicContact CG-CE1 3.84Å; F90-V102 PolarHBondContact N-O 3.06Å; F90-E104 HydrophobicContact CE1-CB 4.26Å; F90-E104 HydrophobicContact CE2-CB 4.07Å; F90-E104 HydrophobicContact CZ-CB 3.63Å
91	G	93.9	Very high	90.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-168.7	178.8	0	0	0	0	0	113.5	P20 V102	P20-G91 CarbonylContact O-C 3.55Å; P20-G91 WeakPolarHBondContact O-CA 3.31Å; G91-V102 PolarHBondContact N-O 3.46Å; G91-V102 PolarHBondContact O-N 2.85Å
92	I	93.3	Very high	90.8	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.5	173.3	47.5	168.2	0	0	0	110.5	L19 P20 V21 I22 L71 L72 A75 C100 I101	L19-I92 HydrophobicContact CD2-CD1 4.35Å; L19-I92 HydrophobicContact CD2-CG1 4.2Å; L19-I92 HydrophobicContact CD2-CG2 4.1Å; L19-I92 HydrophobicContact CG-CG1 4.48Å; P20-I92 PolarHBondContact O-N 3.05Å; V21-I92 CarbonylContact C-O 3.5Å; V21-I92 WeakPolarHBondContact CA-O 3.38Å; V21-I92 HydrophobicContact CG2-CD1 4.5Å; V21-I92 HydrophobicContact CG2-CG1 4.37Å; I22-I92 PolarHBondContact N-O 3.03Å; L71-I92 HydrophobicContact CD2-CG2 4.21Å; L72-I92 HydrophobicContact CD2-CD1 3.45Å; L72-I92 VanDerWaalsContact CD2-CD1 3.45Å; A75-I92 HydrophobicContact CB-CG2 3.58Å; I92-C100 VanDerWaalsContact CA-O 3.31Å; I92-C100 WeakPolarHBondContact CA-O 3.34Å; I92-I101 HydrophobicContact CG2-CG1 4.46Å
93	C	91.9	Very high	90.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.2	158.4	-173	0	0	0	0	108.4	I22 L27 F98 F99 C100	I22-C93 WeakPolarHBondContact O-CA 3.31Å; L27-C93 HydrophobicContact CD1-CB 4.36Å; C93-F98 HydrophobicContact CB-CD1 4.07Å; C93-F98 HydrophobicContact CB-CE1 4.49Å; C93-F98 PolarHBondContact SG-O 3.42Å; C93-F98 VanDerWaalsContact SG-O 3.39Å; C93-F99 WeakPolarHBondContact O-CA 3.17Å; C93-F99 WeakPolarHBondContact O-CD2 3.18Å; C93-C100 WeakPolarHBondContact CB-SG 3.41Å; C93-C100 PolarHBondContact N-O 3.18Å; C93-C100 PolarHBondContact O-N 2.87Å
94	N	88.1	Confident	90.9	Very high	59 Å²	59	37 Å²	37	32%	0.316	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	34.2	-171.1	-160.8	29.1	0	0	0	112.5	V21 R68 F99	V21-N94 HydrophobicContact CG1-CB 4.1Å; R68-N94 VanDerWaalsContact CZ-OD1 3.28Å; R68-N94 PolarHBondContact NH2-O 3.2Å; R68-N94 PolarHBondContact NH2-OD1 3.1Å; N94-F99 WeakPolarHBondContact OD1-CE2 3.17Å
95	E	86.3	Confident	90.9	Very high	54 Å²	54	34 Å²	34	25%	0.252	17%	0.171	S	C	.	.			trans	-82.6	169	-179.8	-67.2	-173.9	-161.1	0	0	111.1	Y24 Q25 R68 F98	Y24-E95 WeakPolarHBondContact CB-OE1 3.45Å; Y24-E95 WeakPolarHBondContact CB-OE2 3.49Å; Y24-E95 PolarHBondContact N-OE1 3Å; Q25-E95 PolarHBondContact NE2-OE1 2.72Å; Q25-E95 PolarHBondContact NE2-OE2 3.15Å; R68-E95 PolarHBondContact NH1-O 3.5Å; E95-F98 PolarHBondContact N-O 3.23Å; E95-F98 VanDerWaalsContact N-O 3.17Å
96	P	78.1	Confident	90.8	Very high	120 Å²	120	33.8 Å²	33.8	78%	0.779	17%	0.17	S	C	*	.	S	Bend	trans	-68.9	-43.7	-176.6	-22.1	34.9	0	0	0	113.2
97	E	77.4	Confident	90.7	Very high	178 Å²	178	36.7 Å²	36.7	83%	0.832	19%	0.191	S	C	*	.	S	Bend	trans	-96	-21.5	-177.4	-64.2	176.2	-173.1	0	0	112.7
98	F	79	Confident	90.7	Very high	31 Å²	31	37 Å²	37	14%	0.136	19%	0.193	C	C	.	.			trans	-124.9	104.6	-178.7	-159.5	-95.8	0	0	0	111.8	Y24 L27 L30 I55 C57 C93 E95 C100	Y24-F98 HydrophobicContact CD2-CB 4.24Å; Y24-F98 AromaticContact CD2-CD1 3.34Å; Y24-F98 HydrophobicContact CD2-CD1 3.34Å; Y24-F98 HydrophobicContact CD2-CD2 4.1Å; Y24-F98 AromaticContact CD2-CE1 3.55Å; Y24-F98 HydrophobicContact CD2-CE1 3.55Å; Y24-F98 HydrophobicContact CD2-CE2 4.29Å; Y24-F98 AromaticContact CD2-CG 3.63Å; Y24-F98 HydrophobicContact CD2-CG 3.63Å; Y24-F98 HydrophobicContact CD2-CZ 4.04Å; Y24-F98 AromaticContact CE2-CD1 3.89Å; Y24-F98 HydrophobicContact CE2-CD1 3.89Å; Y24-F98 AromaticContact CE2-CD2 3.86Å; Y24-F98 HydrophobicContact CE2-CD2 3.86Å; Y24-F98 AromaticContact CE2-CE1 3.84Å; Y24-F98 HydrophobicContact CE2-CE1 3.84Å; Y24-F98 AromaticContact CE2-CE2 3.82Å; Y24-F98 HydrophobicContact CE2-CE2 3.82Å; Y24-F98 AromaticContact CE2-CG 3.89Å; Y24-F98 HydrophobicContact CE2-CG 3.89Å; Y24-F98 AromaticContact CE2-CZ 3.81Å; Y24-F98 HydrophobicContact CE2-CZ 3.81Å; Y24-F98 HydrophobicContact CG-CB 4.41Å; Y24-F98 HydrophobicContact CG-CD1 4.16Å; Y24-F98 HydrophobicContact CG-CG 4.28Å; L27-F98 HydrophobicContact CD1-CE1 4.23Å; L30-F98 HydrophobicContact CD2-CE2 4.19Å; L30-F98 HydrophobicContact CD2-CZ 3.95Å; I55-F98 HydrophobicContact CG2-CE1 4.23Å; I55-F98 HydrophobicContact CG2-CZ 4.17Å; C57-F98 VanDerWaalsContact SG-CZ 3.55Å; C93-F98 HydrophobicContact CB-CD1 4.07Å; C93-F98 HydrophobicContact CB-CE1 4.49Å; C93-F98 PolarHBondContact SG-O 3.42Å; C93-F98 VanDerWaalsContact SG-O 3.39Å; E95-F98 PolarHBondContact N-O 3.23Å; E95-F98 VanDerWaalsContact N-O 3.17Å; F98-C100 HydrophobicContact CE1-CB 4.39Å; F98-C100 WeakPolarHBondContact CE1-SG 3.46Å
99	F	84.1	Confident	90.8	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.044	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	113.9	-172	-179.3	-112.8	0	0	0	110.8	L58 V63 R68 L71 L72 C93 N94	L58-F99 HydrophobicContact CD1-CD1 4.48Å; L58-F99 HydrophobicContact CD1-CE1 4.34Å; V63-F99 HydrophobicContact CG1-CD1 3.9Å; V63-F99 HydrophobicContact CG1-CE1 4.42Å; R68-F99 HydrophobicContact CB-CE1 4.19Å; R68-F99 HydrophobicContact CB-CZ 4.25Å; R68-F99 HydrophobicContact CG-CD1 4.34Å; R68-F99 HydrophobicContact CG-CD2 4.25Å; R68-F99 HydrophobicContact CG-CE1 3.86Å; R68-F99 HydrophobicContact CG-CE2 3.78Å; R68-F99 HydrophobicContact CG-CZ 3.56Å; R68-F99 VanDerWaalsContact O-CZ 3.24Å; R68-F99 WeakPolarHBondContact O-CZ 3.5Å; L71-F99 HydrophobicContact CB-CE1 3.48Å; L71-F99 VanDerWaalsContact CB-CE1 3.48Å; L71-F99 HydrophobicContact CB-CZ 3.72Å; L71-F99 HydrophobicContact CD1-CD1 4.21Å; L71-F99 HydrophobicContact CD1-CE1 3.87Å; L71-F99 HydrophobicContact CD1-CZ 4.44Å; L71-F99 HydrophobicContact CD2-CE1 3.81Å; L71-F99 HydrophobicContact CD2-CE2 4.04Å; L71-F99 HydrophobicContact CD2-CZ 3.52Å; L71-F99 HydrophobicContact CG-CE1 3.92Å; L71-F99 HydrophobicContact CG-CZ 4.07Å; L72-F99 HydrophobicContact CD2-CE2 4.08Å; L72-F99 HydrophobicContact CD2-CZ 4.27Å; L72-F99 HydrophobicContact CG-CE2 4.38Å; L72-F99 HydrophobicContact CG-CZ 4.16Å; C93-F99 WeakPolarHBondContact O-CA 3.17Å; C93-F99 WeakPolarHBondContact O-CD2 3.18Å; N94-F99 WeakPolarHBondContact OD1-CE2 3.17Å
100	C	88.5	Confident	90.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	160.7	-167.2	65.8	0	0	0	0	114.3	I55 K56 C57 I92 C93 F98	I55-C100 HydrophobicContact CG2-CB 3.58Å; I55-C100 WeakPolarHBondContact CG2-SG 3.24Å; K56-C100 WeakPolarHBondContact O-CA 3.42Å; K56-C100 WeakPolarHBondContact O-CB 3.4Å; C57-C100 HydrophobicContact CB-CB 4.29Å; C57-C100 VanDerWaalsContact SG-CB 3.58Å; I92-C100 VanDerWaalsContact CA-O 3.31Å; I92-C100 WeakPolarHBondContact CA-O 3.34Å; C93-C100 WeakPolarHBondContact CB-SG 3.41Å; C93-C100 PolarHBondContact N-O 3.18Å; C93-C100 PolarHBondContact O-N 2.87Å; F98-C100 HydrophobicContact CE1-CB 4.39Å; F98-C100 WeakPolarHBondContact CE1-SG 3.46Å
101	I	91.2	Very high	91	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139.3	166.3	-58.3	-175.3	0	0	0	109	I55 K56 L71 E74 A75 L78 I89 I92 T103	I55-I101 CarbonylContact C-O 3.54Å; I55-I101 WeakPolarHBondContact CA-O 3.19Å; K56-I101 PolarHBondContact N-O 3.13Å; K56-I101 PolarHBondContact O-N 3.08Å; L71-I101 HydrophobicContact CD1-CG1 4Å; L71-I101 HydrophobicContact CD2-CD1 4.31Å; L71-I101 HydrophobicContact CD2-CG1 3.62Å; L71-I101 HydrophobicContact CG-CD1 4.02Å; L71-I101 HydrophobicContact CG-CG1 3.73Å; E74-I101 HydrophobicContact CB-CD1 4.2Å; E74-I101 HydrophobicContact CG-CD1 3.75Å; A75-I101 HydrophobicContact CB-CD1 4.2Å; A75-I101 HydrophobicContact CB-CG1 4.3Å; L78-I101 HydrophobicContact CD1-CD1 3.67Å; L78-I101 HydrophobicContact CD1-CG2 4.29Å; I89-I101 HydrophobicContact CD1-CG2 3.65Å; I89-I101 HydrophobicContact CG1-CG2 3.85Å; I92-I101 HydrophobicContact CG2-CG1 4.46Å; I101-T103 HydrophobicContact CG2-CG2 3.84Å
102	V	94.8	Very high	91.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.5	174.2	-173.3	0	0	0	0	109.6	I22 L27 V53 A54 F90 G91	I22-V102 HydrophobicContact CD1-CB 3.75Å; I22-V102 HydrophobicContact CD1-CG1 3.93Å; I22-V102 HydrophobicContact CD1-CG2 3.87Å; L27-V102 HydrophobicContact CD1-CG2 4.12Å; L27-V102 HydrophobicContact CD2-CG1 4.34Å; L27-V102 HydrophobicContact CD2-CG2 4.33Å; V53-V102 HydrophobicContact CB-CG1 3.7Å; V53-V102 HydrophobicContact CG1-CG1 3.99Å; V53-V102 HydrophobicContact CG2-CG1 3.81Å; A54-V102 WeakPolarHBondContact O-CA 3.46Å; F90-V102 PolarHBondContact N-O 3.06Å; G91-V102 PolarHBondContact N-O 3.46Å; G91-V102 PolarHBondContact O-N 2.85Å
103	T	95.6	Very high	91.3	Very high	21 Å²	21	38.3 Å²	38.3	13%	0.129	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	172.2	-178.1	69.2	0	0	0	0	112.2	V53 A54 I87 Q88 I101	V53-T103 WeakPolarHBondContact CA-O 3.23Å; V53-T103 WeakPolarHBondContact CB-O 3.44Å; A54-T103 PolarHBondContact N-O 3.19Å; A54-T103 PolarHBondContact O-N 2.82Å; I87-T103 HydrophobicContact CG1-CG2 4.44Å; Q88-T103 VanDerWaalsContact O-CA 3.29Å; Q88-T103 WeakPolarHBondContact O-CA 3.45Å; Q88-T103 WeakPolarHBondContact O-CB 3.38Å; I101-T103 HydrophobicContact CG2-CG2 3.84Å
104	E	95.6	Very high	91.5	Very high	32 Å²	32	38.4 Å²	38.4	15%	0.15	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	148.2	160.8	59.5	-179.5	153	0	0	112	I87 Q88 F90 M106 K169	I87-E104 HydrophobicContact CD1-CG 3.56Å; I87-E104 HydrophobicContact CG1-CG 4.1Å; Q88-E104 HydrophobicContact CB-CG 4.08Å; Q88-E104 WeakPolarHBondContact CB-OE1 3.46Å; Q88-E104 PolarHBondContact N-OE1 3Å; Q88-E104 PolarHBondContact O-N 2.96Å; F90-E104 HydrophobicContact CE1-CB 4.26Å; F90-E104 HydrophobicContact CE2-CB 4.07Å; F90-E104 HydrophobicContact CZ-CB 3.63Å; E104-M106 HydrophobicContact CB-CE 4.31Å; E104-M106 HydrophobicContact CG-CE 3.82Å; E104-K169 VanDerWaalsContact CD-NZ 3.31Å; E104-K169 WeakPolarHBondContact OE1-CD 3.46Å; E104-K169 WeakPolarHBondContact OE1-CE 3.48Å; E104-K169 IonicContact OE1-NZ 3.31Å; E104-K169 PolarHBondContact OE1-NZ 2.83Å; E104-K169 IonicContact OE2-NZ 3.62Å; E104-K169 PolarHBondContact OE2-NZ 3.01Å; E104-K169 VanDerWaalsContact OE2-NZ 3.1Å
105	F	96.9	Very high	92	Very high	55 Å²	55	35.6 Å²	35.6	24%	0.241	19%	0.193	C	C	.	.			trans	-98.1	124.4	-179.2	173.8	-102.5	0	0	0	112	L33 K43 T52 A54 S107	L33-F105 HydrophobicContact CD1-CE2 3.97Å; K43-F105 HydrophobicContact CB-CD2 4.4Å; K43-F105 HydrophobicContact CB-CE2 4.1Å; K43-F105 HydrophobicContact CD-CE1 4.45Å; K43-F105 HydrophobicContact CD-CE2 4.05Å; K43-F105 HydrophobicContact CD-CZ 3.97Å; K43-F105 HydrophobicContact CG-CD2 4.24Å; K43-F105 HydrophobicContact CG-CE2 4.07Å; K43-F105 HydrophobicContact CG-CZ 4.45Å; T52-F105 HydrophobicContact CG2-CB 3.78Å; T52-F105 HydrophobicContact CG2-CD1 3.62Å; T52-F105 HydrophobicContact CG2-CD2 4.28Å; T52-F105 HydrophobicContact CG2-CE1 4.31Å; T52-F105 HydrophobicContact CG2-CG 3.61Å; T52-F105 WeakPolarHBondContact O-CB 3.39Å; A54-F105 HydrophobicContact CB-CD2 4.38Å; F105-S107 PolarHBondContact O-N 3.01Å
106	M	96.9	Very high	92.5	Very high	19 Å²	19	35 Å²	35	9%	0.094	19%	0.19	C	C	.	.			trans	-92	91.7	-174.8	-66.7	-70	99.9	0	0	111.6	I87 E104 N108 G109 L161 L162 D163 K169	I87-M106 HydrophobicContact CD1-CE 4.33Å; I87-M106 HydrophobicContact CD1-CG 3.62Å; I87-M106 HydrophobicContact CD1-SD 4.01Å; E104-M106 HydrophobicContact CB-CE 4.31Å; E104-M106 HydrophobicContact CG-CE 3.82Å; M106-N108 PolarHBondContact O-N 2.94Å; M106-G109 PolarHBondContact O-N 3.18Å; M106-L161 HydrophobicContact CB-CB 3.89Å; M106-L161 HydrophobicContact CB-CD1 4.3Å; M106-L161 HydrophobicContact CG-CB 3.6Å; M106-L161 HydrophobicContact CG-CD1 3.92Å; M106-L161 HydrophobicContact CG-CG 4.43Å; M106-L161 HydrophobicContact SD-CB 4.25Å; M106-L162 CarbonylContact C-O 3.57Å; M106-L162 WeakPolarHBondContact CB-O 3.4Å; M106-D163 HydrophobicContact CE-CB 3.83Å; M106-D163 HydrophobicContact SD-CB 4.02Å; M106-K169 HydrophobicContact CE-CG 3.98Å; M106-K169 HydrophobicContact SD-CB 3.72Å; M106-K169 HydrophobicContact SD-CG 3.4Å; M106-K169 WeakPolarHBondContact SD-CG 3.45Å
107	S	94.5	Very high	93.3	Very high	63 Å²	63	32.7 Å²	32.7	44%	0.441	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.8	-168.8	69.6	0	0	0	0	116	F105 G164	F105-S107 PolarHBondContact O-N 3.01Å; S107-G164 WeakPolarHBondContact OG-CA 3.37Å
108	N	95.8	Very high	94	Very high	14 Å²	14	28.7 Å²	28.7	8%	0.075	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	9	175.9	-73.2	-57.7	0	0	0	114.3	M106 L162 D163 G164 F166 K321	M106-N108 PolarHBondContact O-N 2.94Å; N108-L162 HydrophobicContact CB-CB 3.92Å; N108-L162 PolarHBondContact N-O 3.33Å; N108-L162 VanDerWaalsContact N-O 3.14Å; N108-D163 PolarHBondContact ND2-O 3.37Å; N108-G164 PolarHBondContact ND2-O 3.13Å; N108-F166 HydrophobicContact CB-CD1 4.09Å; N108-F166 HydrophobicContact CB-CE1 3.64Å; N108-F166 HydrophobicContact CB-CE2 4.37Å; N108-F166 HydrophobicContact CB-CZ 3.8Å; N108-F166 VanDerWaalsContact ND2-CE2 3.35Å; N108-F166 WeakPolarHBondContact ND2-CE2 3.46Å; N108-F166 VanDerWaalsContact OD1-CZ 3.24Å; N108-F166 WeakPolarHBondContact OD1-CZ 3.37Å; N108-K321 PolarHBondContact OD1-NZ 3.27Å
109	G	94.8	Very high	94.6	Very high	20 Å²	20	33.7 Å²	33.7	21%	0.206	17%	0.172	C	C	.	.			trans	80.1	-142	172.4	0	0	0	0	0	112.8	M106 L161 L162	M106-G109 PolarHBondContact O-N 3.18Å; G109-L161 CarbonylContact O-C 3.52Å; G109-L161 WeakPolarHBondContact O-CA 3.4Å; G109-L162 PolarHBondContact O-N 2.69Å
110	S	96.8	Very high	95	Very high	11 Å²	11	34.8 Å²	34.8	8%	0.077	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-103.1	162.5	177.6	63.2	0	0	0	0	113	D112 Q113 L114 I160	S110-D112 VanDerWaalsContact C-N 3.27Å; S110-D112 PolarHBondContact O-N 3.07Å; S110-Q113 PolarHBondContact O-N 3.26Å; S110-Q113 WeakPolarHBondContact OG-CG 3.39Å; S110-Q113 PolarHBondContact OG-N 3.44Å; S110-L114 PolarHBondContact O-N 3.48Å; S110-I160 CarbonylContact C-O 3.54Å; S110-I160 VanDerWaalsContact CA-O 3.31Å; S110-I160 WeakPolarHBondContact CA-O 3.36Å
111	L	98.3	Very high	95.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-37.2	171.6	178.6	56.8	0	0	0	111.7	Q113 L114 L115 T132 I136 T157 I160 I226 V230	L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.24Å; L111-L114 HydrophobicContact CD1-CB 4.45Å; L111-L114 HydrophobicContact CD1-CD2 4.18Å; L111-L114 WeakPolarHBondContact O-CB 3.28Å; L111-L114 PolarHBondContact O-N 3.41Å; L111-L114 VanDerWaalsContact O-N 3.07Å; L111-L115 HydrophobicContact CD1-CD1 4.14Å; L111-L115 HydrophobicContact CD1-CD2 4.14Å; L111-L115 HydrophobicContact CD1-CG 3.87Å; L111-L115 HydrophobicContact CG-CD1 3.94Å; L111-L115 HydrophobicContact CG-CG 4.13Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.34Å; L111-L115 PolarHBondContact O-N 3.33Å; L111-T132 HydrophobicContact CD1-CG2 3.83Å; L111-T132 HydrophobicContact CD2-CG2 3.71Å; L111-T132 HydrophobicContact CG-CG2 4.41Å; L111-I136 HydrophobicContact CD2-CD1 3.94Å; L111-T157 HydrophobicContact CD2-CG2 4.01Å; L111-T157 HydrophobicContact CG-CG2 4.12Å; L111-T157 PolarHBondContact N-O 3.1Å; L111-I160 HydrophobicContact CB-CB 3.84Å; L111-I160 HydrophobicContact CB-CG2 3.95Å; L111-I160 HydrophobicContact CD2-CB 4.13Å; L111-I160 HydrophobicContact CD2-CG1 4.32Å; L111-I160 HydrophobicContact CD2-CG2 3.95Å; L111-I160 PolarHBondContact N-O 3.23Å; L111-I226 HydrophobicContact CD2-CG2 4.18Å; L111-V230 HydrophobicContact CD1-CG2 4.38Å; L111-V230 HydrophobicContact CD2-CG2 3.87Å; L111-V230 HydrophobicContact CG-CG2 4.44Å
112	D	96.6	Very high	95.3	Very high	45 Å²	45	38.6 Å²	38.6	24%	0.241	20%	0.203	C	C	.	.	H	α-helix	trans	-49.2	-49.7	171.7	164	93.2	0	0	0	111.8	S110 L115 H116 T157 Q158	S110-D112 VanDerWaalsContact C-N 3.27Å; S110-D112 PolarHBondContact O-N 3.07Å; D112-L115 PolarHBondContact O-N 2.88Å; D112-H116 WeakPolarHBondContact O-CB 3.31Å; D112-H116 PolarHBondContact O-CD2 2.85Å; D112-H116 VanDerWaalsContact O-CD2 3.26Å; D112-H116 PolarHBondContact O-N 2.9Å; D112-H116 IonicContact OD1-CD2 3.57Å; D112-T157 PolarHBondContact N-O 2.97Å; D112-Q158 HydrophobicContact CB-CB 4.46Å; D112-Q158 HydrophobicContact CB-CG 3.82Å; D112-Q158 PolarHBondContact OD1-NE2 2.98Å
113	Q	95.8	Very high	95.2	Very high	69 Å²	69	42.1 Å²	42.1	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-43.1	176	-65.4	-177.7	-77.2	0	0	112.1	S110 L111 L115 E117 Y121	S110-Q113 PolarHBondContact O-N 3.26Å; S110-Q113 WeakPolarHBondContact OG-CG 3.39Å; S110-Q113 PolarHBondContact OG-N 3.44Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.24Å; Q113-L115 VanDerWaalsContact C-N 3.3Å; Q113-L115 PolarHBondContact O-N 2.98Å; Q113-E117 HydrophobicContact CB-CG 4.29Å; Q113-E117 WeakPolarHBondContact CB-OE1 3.17Å; Q113-E117 WeakPolarHBondContact CG-OE1 3.28Å; Q113-E117 PolarHBondContact NE2-OE1 3.06Å; Q113-E117 WeakPolarHBondContact O-CB 3.35Å; Q113-E117 WeakPolarHBondContact O-CG 3.27Å; Q113-E117 PolarHBondContact O-N 3.35Å; Q113-Y121 WeakPolarHBondContact O-CD2 3.02Å
114	L	97.3	Very high	95.2	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-38.5	177.7	-179.7	63	0	0	0	112.5	S110 L111 Y121 L124 L162 F166 R233 I317	S110-L114 PolarHBondContact O-N 3.48Å; L111-L114 HydrophobicContact CD1-CB 4.45Å; L111-L114 HydrophobicContact CD1-CD2 4.18Å; L111-L114 WeakPolarHBondContact O-CB 3.28Å; L111-L114 PolarHBondContact O-N 3.41Å; L111-L114 VanDerWaalsContact O-N 3.07Å; L114-Y121 HydrophobicContact CD1-CD1 4.05Å; L114-Y121 HydrophobicContact CD1-CD2 4.07Å; L114-Y121 HydrophobicContact CD1-CE1 4.38Å; L114-Y121 HydrophobicContact CD1-CE2 4.41Å; L114-Y121 HydrophobicContact CD1-CG 3.85Å; L114-L124 HydrophobicContact CD1-CD1 4.21Å; L114-L124 HydrophobicContact CD2-CD1 4.16Å; L114-L124 HydrophobicContact CG-CD1 4.25Å; L114-L124 HydrophobicContact CG-CD2 4.24Å; L114-L162 HydrophobicContact CB-CD1 3.82Å; L114-L162 HydrophobicContact CD2-CD1 3.75Å; L114-L162 HydrophobicContact CG-CD1 4.37Å; L114-F166 HydrophobicContact CD1-CD1 4.35Å; L114-F166 HydrophobicContact CD1-CE1 4.11Å; L114-F166 HydrophobicContact CD2-CD1 4.2Å; L114-R233 PolarHBondContact O-NH2 2.81Å; L114-I317 HydrophobicContact CD1-CD1 4.36Å
115	L	97.6	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-76	-47.4	-179.8	-63.9	178.2	0	0	0	111.7	L111 D112 Q113 L124 T157 E229 V230 R233	L111-L115 HydrophobicContact CD1-CD1 4.14Å; L111-L115 HydrophobicContact CD1-CD2 4.14Å; L111-L115 HydrophobicContact CD1-CG 3.87Å; L111-L115 HydrophobicContact CG-CD1 3.94Å; L111-L115 HydrophobicContact CG-CG 4.13Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.34Å; L111-L115 PolarHBondContact O-N 3.33Å; D112-L115 PolarHBondContact O-N 2.88Å; Q113-L115 VanDerWaalsContact C-N 3.3Å; Q113-L115 PolarHBondContact O-N 2.98Å; L115-L124 HydrophobicContact CD2-CD2 3.79Å; L115-T157 HydrophobicContact CD1-CG2 4Å; L115-E229 HydrophobicContact CD1-CB 4.42Å; L115-E229 HydrophobicContact CD1-CG 3.9Å; L115-V230 HydrophobicContact CD1-CG2 3.85Å; L115-V230 HydrophobicContact CD2-CB 4.41Å; L115-V230 HydrophobicContact CD2-CG2 4.22Å; L115-R233 HydrophobicContact CD2-CG 4.1Å; L115-R233 PolarHBondContact O-NE 2.85Å; L115-R233 PolarHBondContact O-NH2 2.85Å
116	H	96.2	Very high	95.3	Very high	42 Å²	42	40.5 Å²	40.5	19%	0.194	22%	0.219	C	C	.	.	H	α-helix	trans	-101	-22.4	-164.8	-56.1	-46.8	0	0	0	114.9	D112 K118 E229	D112-H116 WeakPolarHBondContact O-CB 3.31Å; D112-H116 PolarHBondContact O-CD2 2.85Å; D112-H116 VanDerWaalsContact O-CD2 3.26Å; D112-H116 PolarHBondContact O-N 2.9Å; D112-H116 IonicContact OD1-CD2 3.57Å; H116-K118 PolarHBondContact O-N 3.07Å; H116-E229 IonicContact CD2-OE1 2.72Å; H116-E229 IonicContact CE1-OE1 3.55Å; H116-E229 IonicContact NE2-OE1 2.84Å; H116-E229 PolarHBondContact NE2-OE1 3.37Å
117	E	95.3	Very high	95.3	Very high	70 Å²	70	40.3 Å²	40.3	33%	0.327	22%	0.219	S	C	.	.			trans	-74.6	56.5	167.1	-59.8	-178.3	-161	0	0	110.7	Q113 E119 L120 Y121	Q113-E117 HydrophobicContact CB-CG 4.29Å; Q113-E117 WeakPolarHBondContact CB-OE1 3.17Å; Q113-E117 WeakPolarHBondContact CG-OE1 3.28Å; Q113-E117 PolarHBondContact NE2-OE1 3.06Å; Q113-E117 WeakPolarHBondContact O-CB 3.35Å; Q113-E117 WeakPolarHBondContact O-CG 3.27Å; Q113-E117 PolarHBondContact O-N 3.35Å; E117-E119 PolarHBondContact O-N 2.68Å; E117-L120 HydrophobicContact CB-CB 4.13Å; E117-L120 PolarHBondContact O-N 2.84Å; E117-L120 VanDerWaalsContact OE2-CD2 3.32Å; E117-L120 WeakPolarHBondContact OE2-CD2 3.29Å; E117-Y121 HydrophobicContact CB-CD2 4.02Å; E117-Y121 HydrophobicContact CB-CE2 4.24Å; E117-Y121 PolarHBondContact O-N 3.06Å
118	K	93.6	Very high	95.5	Very high	94 Å²	94	37.3 Å²	37.3	41%	0.409	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.6	180	-66	166.7	-176.2	169	0	112.7	H116 Y121 P122 R233	H116-K118 PolarHBondContact O-N 3.07Å; K118-Y121 CarbonylContact O-C 3.4Å; K118-P122 WeakPolarHBondContact O-CA 3.28Å; K118-P122 VanDerWaalsContact O-N 3.14Å; K118-R233 WeakPolarHBondContact CE-O 3.39Å; K118-R233 PolarHBondContact NZ-O 2.79Å
119	E	91.6	Very high	95.6	Very high	137 Å²	137	38 Å²	38	64%	0.64	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-45.1	170.8	-97.2	-150.2	-120.4	0	0	113.4	E117 R324	E117-E119 PolarHBondContact O-N 2.68Å; E119-R324 VanDerWaalsContact C-NH1 3.33Å; E119-R324 WeakPolarHBondContact O-CD 3.3Å; E119-R324 VanDerWaalsContact O-CZ 3.25Å; E119-R324 PolarHBondContact O-NE 2.94Å; E119-R324 PolarHBondContact O-NH1 2.97Å; E119-R324 IonicContact OE2-CZ 2.61Å; E119-R324 IonicContact OE2-NH1 2.59Å; E119-R324 PolarHBondContact OE2-NH1 2.85Å; E119-R324 IonicContact OE2-NH2 3.91Å; E119-R324 PolarHBondContact OE2-NH2 3.22Å
120	L	90.9	Very high	95.8	Very high	33 Å²	33	37 Å²	37	17%	0.173	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-32.7	178.5	-170.8	58.5	0	0	0	111.6	E117 P122 K321 R324	E117-L120 HydrophobicContact CB-CB 4.13Å; E117-L120 PolarHBondContact O-N 2.84Å; E117-L120 VanDerWaalsContact OE2-CD2 3.32Å; E117-L120 WeakPolarHBondContact OE2-CD2 3.29Å; L120-P122 VanDerWaalsContact C-CD 3.47Å; L120-P122 WeakPolarHBondContact O-CD 3.2Å; L120-K321 HydrophobicContact CD1-CG 4.27Å; L120-R324 HydrophobicContact CD1-CB 4.25Å
121	Y	93.8	Very high	95.9	Very high	6 Å²	6	37.8 Å²	37.8	2%	0.024	19%	0.191	C	C	.	.			trans	-124.1	67.6	-175.1	-51	-59.9	0	0	0	111	Q113 L114 E117 K118 V123 R233 I317 K321	Q113-Y121 WeakPolarHBondContact O-CD2 3.02Å; L114-Y121 HydrophobicContact CD1-CD1 4.05Å; L114-Y121 HydrophobicContact CD1-CD2 4.07Å; L114-Y121 HydrophobicContact CD1-CE1 4.38Å; L114-Y121 HydrophobicContact CD1-CE2 4.41Å; L114-Y121 HydrophobicContact CD1-CG 3.85Å; E117-Y121 HydrophobicContact CB-CD2 4.02Å; E117-Y121 HydrophobicContact CB-CE2 4.24Å; E117-Y121 PolarHBondContact O-N 3.06Å; K118-Y121 CarbonylContact O-C 3.4Å; Y121-V123 PolarHBondContact O-N 3.05Å; Y121-R233 VanDerWaalsContact O-CZ 3.29Å; Y121-R233 PolarHBondContact O-NH1 3.48Å; Y121-R233 PolarHBondContact O-NH2 2.88Å; Y121-I317 HydrophobicContact CD1-CG2 3.75Å; Y121-I317 HydrophobicContact CE1-CG2 3.83Å; Y121-K321 HydrophobicContact CE1-CD 4.22Å; Y121-K321 PolarHBondContact OH-NZ 2.71Å
122	P	92.3	Very high	95.9	Very high	76 Å²	76	37.9 Å²	37.9	49%	0.494	19%	0.191	S	C	.	.	S	Bend	trans	-64.7	-37.2	-172.2	24.6	-34.6	0	0	0	113.4	K118 L120	K118-P122 WeakPolarHBondContact O-CA 3.28Å; K118-P122 VanDerWaalsContact O-N 3.14Å; L120-P122 VanDerWaalsContact C-CD 3.47Å; L120-P122 WeakPolarHBondContact O-CD 3.2Å
123	V	92.5	Very high	96	Very high	74 Å²	74	35.7 Å²	35.7	45%	0.448	18%	0.18	S	C	.	.			trans	-118.9	133	175.9	-176.9	0	0	0	0	108.9	Y121	Y121-V123 PolarHBondContact O-N 3.05Å
124	L	95.8	Very high	96.1	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.042	17%	0.172	C	C	.	.			trans	-131.2	100.6	176.1	178.6	60.1	0	0	0	107.8	L114 L115 L128 R129 I317	L114-L124 HydrophobicContact CD1-CD1 4.21Å; L114-L124 HydrophobicContact CD2-CD1 4.16Å; L114-L124 HydrophobicContact CG-CD1 4.25Å; L114-L124 HydrophobicContact CG-CD2 4.24Å; L115-L124 HydrophobicContact CD2-CD2 3.79Å; L124-L128 HydrophobicContact CD1-CD2 3.93Å; L124-L128 HydrophobicContact CD1-CG 4.45Å; L124-R129 HydrophobicContact CD1-CG 4.44Å; L124-R129 HydrophobicContact CD2-CG 3.93Å; L124-R129 HydrophobicContact CG-CG 3.7Å; L124-R129 PolarHBondContact O-NE 3.01Å; L124-R129 PolarHBondContact O-NH2 2.98Å; L124-R129 VanDerWaalsContact O-NH2 3.12Å; L124-I317 HydrophobicContact CD1-CD1 3.72Å
125	A	97.1	Very high	96.2	Very high	26 Å²	26	34.9 Å²	34.9	22%	0.215	17%	0.174	C	C	.	.			trans	-69.3	147.4	-171.3	0	0	0	0	0	112.8	L128 R129 A313	A125-L128 PolarHBondContact O-N 2.93Å; A125-R129 PolarHBondContact O-N 2.98Å; A125-A313 HydrophobicContact CB-CB 3.95Å
126	W	97.8	Very high	96.3	Very high	40 Å²	40	34.9 Å²	34.9	15%	0.152	17%	0.174	C	C	.	.	H	α-helix	trans	-55.5	-36.8	-176.9	-63.9	124.3	0	0	0	116.2	L128 R129 L130 L231 D266 I267 P268	W126-L128 PolarHBondContact O-N 2.68Å; W126-R129 HydrophobicContact CE3-CB 4.45Å; W126-R129 HydrophobicContact CE3-CG 4.49Å; W126-R129 VanDerWaalsContact CZ3-NH1 3.3Å; W126-R129 PolarHBondContact O-N 3.45Å; W126-L130 WeakPolarHBondContact O-CG 3.4Å; W126-L130 PolarHBondContact O-N 2.95Å; W126-L231 HydrophobicContact CE3-CD2 4.46Å; W126-L231 HydrophobicContact CZ3-CD2 3.92Å; W126-D266 WeakPolarHBondContact CZ2-OD2 3.48Å; W126-D266 PolarHBondContact NE1-OD2 3.02Å; W126-I267 HydrophobicContact CH2-CB 4.47Å; W126-I267 HydrophobicContact CH2-CD1 4.4Å; W126-I267 HydrophobicContact CH2-CG1 3.47Å; W126-I267 VanDerWaalsContact CH2-CG1 3.47Å; W126-I267 HydrophobicContact CZ2-CG1 3.85Å; W126-I267 HydrophobicContact CZ3-CG1 4.03Å; W126-P268 HydrophobicContact CB-CG 3.86Å; W126-P268 HydrophobicContact CD2-CG 4.49Å; W126-P268 HydrophobicContact CG-CG 3.89Å
127	P	97.8	Very high	96.4	Very high	14 Å²	14	32.9 Å²	32.9	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-56.8	-50.2	177.4	-21.4	30	0	0	0	111.7	R129 L130 R131 F305 D309 F310	P127-R129 PolarHBondContact O-N 3.15Å; P127-L130 PolarHBondContact O-N 3.47Å; P127-R131 WeakPolarHBondContact O-CB 3.44Å; P127-R131 PolarHBondContact O-N 3.41Å; P127-F305 HydrophobicContact CB-CB 4.33Å; P127-F305 HydrophobicContact CB-CD1 4.05Å; P127-F305 HydrophobicContact CB-CD2 4.44Å; P127-F305 HydrophobicContact CB-CE1 4.49Å; P127-F305 HydrophobicContact CB-CG 4.01Å; P127-F305 HydrophobicContact CG-CD1 3.65Å; P127-F305 HydrophobicContact CG-CE1 3.84Å; P127-F305 HydrophobicContact CG-CG 4.13Å; P127-F305 HydrophobicContact CG-CZ 4.5Å; P127-D309 HydrophobicContact CB-CB 4.06Å; P127-D309 HydrophobicContact CG-CB 3.88Å; P127-F310 HydrophobicContact CB-CD1 3.74Å; P127-F310 HydrophobicContact CB-CE1 3.85Å; P127-F310 HydrophobicContact CB-CG 4.4Å; P127-F310 VanDerWaalsContact O-CE1 3.27Å; P127-F310 WeakPolarHBondContact O-CE1 3.44Å
128	L	97.9	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-39.2	-179.8	-177.7	60.3	0	0	0	111.9	L124 A125 W126 L130 R131 T132 F166 A313 V314 I317	L124-L128 HydrophobicContact CD1-CD2 3.93Å; L124-L128 HydrophobicContact CD1-CG 4.45Å; A125-L128 PolarHBondContact O-N 2.93Å; W126-L128 PolarHBondContact O-N 2.68Å; L128-L130 PolarHBondContact O-N 3.24Å; L128-R131 PolarHBondContact O-N 3.37Å; L128-T132 WeakPolarHBondContact O-CB 3.43Å; L128-T132 PolarHBondContact O-N 3.01Å; L128-T132 PolarHBondContact O-OG1 3.07Å; L128-T132 VanDerWaalsContact O-OG1 3.07Å; L128-F166 HydrophobicContact CD1-CB 4.14Å; L128-F166 HydrophobicContact CD2-CB 4.19Å; L128-A313 HydrophobicContact CB-CB 4Å; L128-V314 HydrophobicContact CD1-CG2 4.36Å; L128-V314 HydrophobicContact CD2-CG2 4.48Å; L128-I317 HydrophobicContact CD2-CD1 3.3Å
129	R	98.4	Very high	96.7	Very high	28 Å²	28	27 Å²	27	11%	0.106	14%	0.14	C	C	.	.	H	α-helix	trans	-61.3	-44.9	177.3	-60.2	-153.3	-140	167.9	14.5	112.2	L124 A125 W126 P127 T132 L133 V230 L231	L124-R129 HydrophobicContact CD1-CG 4.44Å; L124-R129 HydrophobicContact CD2-CG 3.93Å; L124-R129 HydrophobicContact CG-CG 3.7Å; L124-R129 PolarHBondContact O-NE 3.01Å; L124-R129 PolarHBondContact O-NH2 2.98Å; L124-R129 VanDerWaalsContact O-NH2 3.12Å; A125-R129 PolarHBondContact O-N 2.98Å; W126-R129 HydrophobicContact CE3-CB 4.45Å; W126-R129 HydrophobicContact CE3-CG 4.49Å; W126-R129 VanDerWaalsContact CZ3-NH1 3.3Å; W126-R129 PolarHBondContact O-N 3.45Å; P127-R129 PolarHBondContact O-N 3.15Å; R129-T132 PolarHBondContact O-N 3.38Å; R129-L133 WeakPolarHBondContact O-CG 3.33Å; R129-L133 PolarHBondContact O-N 3.47Å; R129-L133 VanDerWaalsContact O-N 3.09Å; R129-V230 HydrophobicContact CB-CG1 3.76Å; R129-V230 WeakPolarHBondContact CD-O 3.35Å; R129-V230 HydrophobicContact CG-CG1 4.22Å; R129-V230 PolarHBondContact NH1-O 3.33Å; R129-L231 PolarHBondContact NH1-O 3.3Å
130	L	98.3	Very high	97	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-69.9	-36	178.8	-68.2	168.6	0	0	0	111.6	W126 P127 L128 L133 Y134 P268 L273 V302 F305	W126-L130 WeakPolarHBondContact O-CG 3.4Å; W126-L130 PolarHBondContact O-N 2.95Å; P127-L130 PolarHBondContact O-N 3.47Å; L128-L130 PolarHBondContact O-N 3.24Å; L130-L133 PolarHBondContact O-N 3.31Å; L130-Y134 WeakPolarHBondContact O-CB 3.38Å; L130-Y134 PolarHBondContact O-N 2.85Å; L130-P268 HydrophobicContact CD1-CB 4.26Å; L130-P268 HydrophobicContact CD1-CG 4.39Å; L130-L273 HydrophobicContact CD2-CD1 4.03Å; L130-L273 HydrophobicContact CD2-CD2 4.26Å; L130-V302 HydrophobicContact CB-CG2 4.34Å; L130-F305 HydrophobicContact CD1-CE2 3.62Å; L130-F305 HydrophobicContact CD1-CZ 4.16Å
131	R	98.4	Very high	97.3	Very high	27 Å²	27	20.5 Å²	20.5	10%	0.102	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-50.8	169.6	-168.3	179.8	77.5	174.9	7.7	111.3	P127 L128 L133 Y134 E135 E165 F166 H167 F310	P127-R131 WeakPolarHBondContact O-CB 3.44Å; P127-R131 PolarHBondContact O-N 3.41Å; L128-R131 PolarHBondContact O-N 3.37Å; R131-L133 VanDerWaalsContact C-N 3.35Å; R131-L133 PolarHBondContact O-N 2.87Å; R131-Y134 PolarHBondContact O-N 3.4Å; R131-E135 WeakPolarHBondContact CD-OE1 3.36Å; R131-E135 HydrophobicContact CG-CG 4.18Å; R131-E135 WeakPolarHBondContact CG-OE1 3.37Å; R131-E135 IonicContact NE-OE1 2.76Å; R131-E135 WeakPolarHBondContact O-CB 3.48Å; R131-E135 VanDerWaalsContact O-CG 3.31Å; R131-E135 WeakPolarHBondContact O-CG 3.46Å; R131-E135 PolarHBondContact O-N 3.2Å; R131-E165 PolarHBondContact NH2-O 2.93Å; R131-F166 PolarHBondContact NH2-O 2.91Å; R131-H167 PolarHBondContact NH1-CE1 3.17Å; R131-H167 PolarHBondContact NH1-NE2 2.99Å; R131-F310 HydrophobicContact CB-CD1 3.89Å; R131-F310 HydrophobicContact CB-CE1 3.8Å; R131-F310 HydrophobicContact CG-CD1 4.34Å; R131-F310 HydrophobicContact CG-CE1 4.38Å
132	T	98.7	Very high	97.4	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-55.3	-47.3	178.1	-65.9	0	0	0	0	112	L111 L128 R129 E135 I136 V168	L111-T132 HydrophobicContact CD1-CG2 3.83Å; L111-T132 HydrophobicContact CD2-CG2 3.71Å; L111-T132 HydrophobicContact CG-CG2 4.41Å; L128-T132 WeakPolarHBondContact O-CB 3.43Å; L128-T132 PolarHBondContact O-N 3.01Å; L128-T132 PolarHBondContact O-OG1 3.07Å; L128-T132 VanDerWaalsContact O-OG1 3.07Å; R129-T132 PolarHBondContact O-N 3.38Å; T132-E135 PolarHBondContact O-N 3.45Å; T132-I136 HydrophobicContact CG2-CD1 3.94Å; T132-I136 WeakPolarHBondContact O-CD1 3.34Å; T132-I136 VanDerWaalsContact O-CG1 3.22Å; T132-I136 WeakPolarHBondContact O-CG1 3.48Å; T132-I136 PolarHBondContact O-N 3.26Å; T132-V168 HydrophobicContact CG2-CG2 3.87Å
133	L	98.8	Very high	97.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.2	-46.7	177.4	-68.3	-178.2	0	0	0	112.2	R129 L130 R131 E135 I136 A137 Y223 I226 M227 V230 L231	R129-L133 WeakPolarHBondContact O-CG 3.33Å; R129-L133 PolarHBondContact O-N 3.47Å; R129-L133 VanDerWaalsContact O-N 3.09Å; L130-L133 PolarHBondContact O-N 3.31Å; R131-L133 VanDerWaalsContact C-N 3.35Å; R131-L133 PolarHBondContact O-N 2.87Å; L133-E135 PolarHBondContact O-N 3.25Å; L133-I136 PolarHBondContact O-N 2.89Å; L133-A137 WeakPolarHBondContact O-CB 3.39Å; L133-A137 PolarHBondContact O-N 3.06Å; L133-Y223 HydrophobicContact CD2-CE2 4.28Å; L133-Y223 PolarHBondContact O-OH 3.17Å; L133-Y223 VanDerWaalsContact O-OH 3.07Å; L133-I226 HydrophobicContact CD2-CG2 4.46Å; L133-M227 HydrophobicContact CD1-CB 4.48Å; L133-M227 HydrophobicContact CD1-CG 4.24Å; L133-M227 HydrophobicContact CD2-CB 4.44Å; L133-M227 HydrophobicContact CD2-CG 4.03Å; L133-V230 HydrophobicContact CD1-CB 4.48Å; L133-V230 HydrophobicContact CD1-CG1 4.19Å; L133-V230 HydrophobicContact CD2-CB 3.94Å; L133-V230 HydrophobicContact CD2-CG1 4.14Å; L133-V230 HydrophobicContact CD2-CG2 3.85Å; L133-V230 HydrophobicContact CG-CB 4.33Å; L133-V230 HydrophobicContact CG-CG1 4Å; L133-L231 HydrophobicContact CD1-CG 4.42Å
134	Y	98.8	Very high	97.5	Very high	44 Å²	44	16.7 Å²	16.7	17%	0.173	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-41.2	177.8	-176.7	-109.5	0	0	0	112.9	L130 R131 A137 L138 L295 L298 E299 V302	L130-Y134 WeakPolarHBondContact O-CB 3.38Å; L130-Y134 PolarHBondContact O-N 2.85Å; R131-Y134 PolarHBondContact O-N 3.4Å; Y134-A137 PolarHBondContact O-N 2.72Å; Y134-L138 HydrophobicContact CD1-CD1 3.93Å; Y134-L138 HydrophobicContact CD1-CG 4.42Å; Y134-L138 HydrophobicContact CE1-CD1 3.57Å; Y134-L138 HydrophobicContact CE1-CG 4.13Å; Y134-L138 WeakPolarHBondContact O-CG 3.29Å; Y134-L138 PolarHBondContact O-N 3.22Å; Y134-L295 HydrophobicContact CD2-CD2 3.67Å; Y134-L295 HydrophobicContact CE2-CD2 3.45Å; Y134-L295 VanDerWaalsContact CE2-CD2 3.45Å; Y134-L298 HydrophobicContact CD2-CB 4.04Å; Y134-E299 HydrophobicContact CE2-CB 3.82Å; Y134-E299 HydrophobicContact CE2-CG 4.14Å; Y134-V302 HydrophobicContact CD1-CG2 4.49Å; Y134-V302 HydrophobicContact CD2-CG2 4.41Å; Y134-V302 HydrophobicContact CG-CG2 4.01Å
135	E	98.8	Very high	97.4	Very high	11 Å²	11	21.7 Å²	21.7	5%	0.051	11%	0.107	C	C	.	.	H	α-helix	trans	-70.5	-36.4	178.2	-69.4	-178.5	-176.7	0	0	113.1	H85 R131 T132 L133 A137 L138 G139 H167 V168	H85-E135 WeakPolarHBondContact CB-O 3.48Å; H85-E135 VanDerWaalsContact CE1-CD 3.48Å; H85-E135 VanDerWaalsContact CE1-CG 3.41Å; H85-E135 WeakPolarHBondContact CE1-CG 3.42Å; H85-E135 IonicContact CE1-OE1 2.72Å; H85-E135 IonicContact CE1-OE2 3.88Å; H85-E135 IonicContact ND1-OE2 2.78Å; R131-E135 WeakPolarHBondContact CD-OE1 3.36Å; R131-E135 HydrophobicContact CG-CG 4.18Å; R131-E135 WeakPolarHBondContact CG-OE1 3.37Å; R131-E135 IonicContact NE-OE1 2.76Å; R131-E135 WeakPolarHBondContact O-CB 3.48Å; R131-E135 VanDerWaalsContact O-CG 3.31Å; R131-E135 WeakPolarHBondContact O-CG 3.46Å; R131-E135 PolarHBondContact O-N 3.2Å; T132-E135 PolarHBondContact O-N 3.45Å; L133-E135 PolarHBondContact O-N 3.25Å; E135-A137 VanDerWaalsContact C-N 3.34Å; E135-L138 PolarHBondContact O-N 3Å; E135-G139 PolarHBondContact O-N 3.47Å; E135-H167 IonicContact OE1-CE1 2.74Å; E135-H167 IonicContact OE1-CG 2.68Å; E135-H167 IonicContact OE1-ND1 2.68Å; E135-H167 PolarHBondContact OE1-ND1 2.82Å; E135-H167 VanDerWaalsContact OE2-CA 3.3Å; E135-H167 WeakPolarHBondContact OE2-CA 3.29Å; E135-H167 IonicContact OE2-CG 3.78Å; E135-H167 IonicContact OE2-ND1 3.03Å; E135-V168 HydrophobicContact CB-CB 3.82Å; E135-V168 HydrophobicContact CB-CG2 4.04Å; E135-V168 PolarHBondContact OE2-N 2.92Å
136	I	98.8	Very high	97	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-46.7	169.4	-63.4	160.8	0	0	0	109.5	L111 T132 L133 L138 G139 V140 L155 I160 V168 I170 Y223 I226	L111-I136 HydrophobicContact CD2-CD1 3.94Å; T132-I136 HydrophobicContact CG2-CD1 3.94Å; T132-I136 WeakPolarHBondContact O-CD1 3.34Å; T132-I136 VanDerWaalsContact O-CG1 3.22Å; T132-I136 WeakPolarHBondContact O-CG1 3.48Å; T132-I136 PolarHBondContact O-N 3.26Å; L133-I136 PolarHBondContact O-N 2.89Å; I136-L138 PolarHBondContact O-N 3.1Å; I136-G139 PolarHBondContact O-N 2.91Å; I136-V140 HydrophobicContact CG2-CG2 4.37Å; I136-V140 WeakPolarHBondContact O-CG2 3.37Å; I136-V140 PolarHBondContact O-N 2.77Å; I136-L155 HydrophobicContact CG2-CD1 4.45Å; I136-L155 HydrophobicContact CG2-CD2 4.3Å; I136-I160 HydrophobicContact CD1-CD1 4.35Å; I136-I160 HydrophobicContact CD1-CG1 4.07Å; I136-I160 HydrophobicContact CD1-CG2 3.99Å; I136-I160 HydrophobicContact CG1-CD1 4.09Å; I136-I160 HydrophobicContact CG1-CG1 4.28Å; I136-I160 HydrophobicContact CG1-CG2 3.92Å; I136-I160 HydrophobicContact CG2-CD1 4.2Å; I136-V168 HydrophobicContact CG1-CG1 3.88Å; I136-V168 HydrophobicContact CG1-CG2 4.09Å; I136-I170 HydrophobicContact CG2-CD1 4.43Å; I136-Y223 HydrophobicContact CB-CD2 4.34Å; I136-Y223 HydrophobicContact CB-CE2 4.01Å; I136-Y223 HydrophobicContact CG2-CD2 3.64Å; I136-Y223 HydrophobicContact CG2-CE2 3.84Å; I136-I226 HydrophobicContact CD1-CG2 4.01Å
137	A	98.6	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-40.4	179	0	0	0	0	0	112.2	L133 Y134 E135 N141 Y223 F291 L295 L298	L133-A137 WeakPolarHBondContact O-CB 3.39Å; L133-A137 PolarHBondContact O-N 3.06Å; Y134-A137 PolarHBondContact O-N 2.72Å; E135-A137 VanDerWaalsContact C-N 3.34Å; A137-N141 WeakPolarHBondContact O-CB 3.49Å; A137-N141 PolarHBondContact O-N 3.28Å; A137-Y223 HydrophobicContact CB-CE2 4.47Å; A137-F291 HydrophobicContact CB-CD1 4.14Å; A137-L295 HydrophobicContact CB-CD2 3.77Å; A137-L295 HydrophobicContact CB-CG 4.13Å; A137-L298 HydrophobicContact CB-CD1 4.42Å
138	L	98.7	Very high	95.9	Very high	41 Å²	41	31.9 Å²	31.9	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-46.7	172.7	-77.2	175.7	0	0	0	111.4	F83 Y134 E135 I136 N141 F142 L295	F83-L138 HydrophobicContact CE1-CB 4.16Å; F83-L138 HydrophobicContact CZ-CB 4.35Å; Y134-L138 HydrophobicContact CD1-CD1 3.93Å; Y134-L138 HydrophobicContact CD1-CG 4.42Å; Y134-L138 HydrophobicContact CE1-CD1 3.57Å; Y134-L138 HydrophobicContact CE1-CG 4.13Å; Y134-L138 WeakPolarHBondContact O-CG 3.29Å; Y134-L138 PolarHBondContact O-N 3.22Å; E135-L138 PolarHBondContact O-N 3Å; I136-L138 PolarHBondContact O-N 3.1Å; L138-N141 PolarHBondContact O-N 2.76Å; L138-F142 PolarHBondContact O-N 2.91Å; L138-L295 HydrophobicContact CB-CD2 4.48Å; L138-L295 HydrophobicContact CD2-CD1 3.98Å; L138-L295 HydrophobicContact CD2-CD2 3.69Å; L138-L295 HydrophobicContact CG-CD2 3.73Å
139	G	98.1	Very high	95.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-53.8	179.1	0	0	0	0	0	112.3	E135 I136 N141 F142 L143	E135-G139 PolarHBondContact O-N 3.47Å; I136-G139 PolarHBondContact O-N 2.91Å; G139-N141 PolarHBondContact O-N 2.94Å; G139-F142 WeakPolarHBondContact O-CB 3.46Å; G139-F142 PolarHBondContact O-N 2.74Å; G139-L143 WeakPolarHBondContact O-CG 3.33Å; G139-L143 PolarHBondContact O-N 3.2Å; G139-L143 VanDerWaalsContact O-N 3.14Å
140	V	96.9	Very high	94.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.8	-36.7	179.8	-172.2	0	0	0	0	111.6	I136 F142 L143 H144 L155 I170 D219 F291	I136-V140 HydrophobicContact CG2-CG2 4.37Å; I136-V140 WeakPolarHBondContact O-CG2 3.37Å; I136-V140 PolarHBondContact O-N 2.77Å; V140-F142 VanDerWaalsContact C-N 3.31Å; V140-F142 PolarHBondContact O-N 3.01Å; V140-L143 PolarHBondContact O-N 3.28Å; V140-H144 WeakPolarHBondContact CG1-NE2 3.45Å; V140-H144 WeakPolarHBondContact O-CB 3.15Å; V140-H144 PolarHBondContact O-CD2 3.32Å; V140-H144 PolarHBondContact O-N 2.9Å; V140-L155 HydrophobicContact CG2-CD1 3.86Å; V140-L155 HydrophobicContact CG2-CD2 4.07Å; V140-I170 HydrophobicContact CG2-CD1 3.63Å; V140-D219 HydrophobicContact CG1-CB 3.96Å; V140-F291 HydrophobicContact CB-CD1 4.07Å; V140-F291 HydrophobicContact CB-CD2 4.19Å; V140-F291 HydrophobicContact CB-CE1 3.83Å; V140-F291 HydrophobicContact CB-CE2 3.99Å; V140-F291 HydrophobicContact CB-CG 4.24Å; V140-F291 HydrophobicContact CB-CZ 3.79Å; V140-F291 HydrophobicContact CG1-CD1 4.43Å; V140-F291 HydrophobicContact CG1-CD2 3.7Å; V140-F291 HydrophobicContact CG1-CE1 4.11Å; V140-F291 HydrophobicContact CG1-CE2 3.32Å; V140-F291 HydrophobicContact CG1-CG 4.24Å; V140-F291 HydrophobicContact CG1-CZ 3.55Å; V140-F291 HydrophobicContact CG2-CE1 4.29Å; V140-F291 HydrophobicContact CG2-CZ 4.22Å
141	N	97.3	Very high	94.3	Very high	32 Å²	32	37.1 Å²	37.1	17%	0.171	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-42.7	173.1	-171.1	62.9	0	0	0	111.8	A137 L138 G139 H144 N145 F291 L292 L295	A137-N141 WeakPolarHBondContact O-CB 3.49Å; A137-N141 PolarHBondContact O-N 3.28Å; L138-N141 PolarHBondContact O-N 2.76Å; G139-N141 PolarHBondContact O-N 2.94Å; N141-H144 PolarHBondContact O-N 2.77Å; N141-N145 WeakPolarHBondContact O-CB 3.44Å; N141-N145 PolarHBondContact O-N 3.06Å; N141-N145 PolarHBondContact O-ND2 3.14Å; N141-N145 PolarHBondContact OD1-ND2 3.39Å; N141-F291 HydrophobicContact CB-CB 3.79Å; N141-L292 PolarHBondContact OD1-N 3.1Å; N141-L295 HydrophobicContact CB-CD1 3.7Å
142	F	96.9	Very high	93.8	Very high	56 Å²	56	35.8 Å²	35.8	25%	0.246	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-47.9	174.4	164.6	-95.7	0	0	0	111.6	A81 F83 I86 L138 G139 V140 H144 N145 M146	A81-F142 HydrophobicContact CB-CE1 4.34Å; F83-F142 HydrophobicContact CB-CB 4.44Å; F83-F142 HydrophobicContact CB-CD1 3.41Å; F83-F142 VanDerWaalsContact CB-CD1 3.41Å; F83-F142 HydrophobicContact CB-CD2 3.85Å; F83-F142 HydrophobicContact CB-CE1 3.47Å; F83-F142 VanDerWaalsContact CB-CE1 3.47Å; F83-F142 HydrophobicContact CB-CE2 3.89Å; F83-F142 HydrophobicContact CB-CG 3.61Å; F83-F142 HydrophobicContact CB-CZ 3.71Å; F83-F142 HydrophobicContact CD1-CB 3.64Å; F83-F142 HydrophobicContact CD1-CD1 4.02Å; F83-F142 HydrophobicContact CD1-CD2 4.46Å; F83-F142 AromaticContact CD1-CG 3.78Å; F83-F142 HydrophobicContact CD1-CG 3.78Å; F83-F142 HydrophobicContact CD2-CB 4.42Å; F83-F142 AromaticContact CD2-CD2 3.98Å; F83-F142 HydrophobicContact CD2-CD2 3.98Å; F83-F142 HydrophobicContact CD2-CE2 4.48Å; F83-F142 HydrophobicContact CD2-CG 4.12Å; F83-F142 HydrophobicContact CE1-CB 3.9Å; F83-F142 HydrophobicContact CE1-CG 4.46Å; F83-F142 HydrophobicContact CG-CB 3.93Å; F83-F142 AromaticContact CG-CD1 3.85Å; F83-F142 HydrophobicContact CG-CD1 3.85Å; F83-F142 AromaticContact CG-CD2 3.86Å; F83-F142 HydrophobicContact CG-CD2 3.86Å; F83-F142 HydrophobicContact CG-CE1 4.36Å; F83-F142 HydrophobicContact CG-CE2 4.36Å; F83-F142 AromaticContact CG-CG 3.58Å; F83-F142 HydrophobicContact CG-CG 3.58Å; F83-F142 HydrophobicContact CZ-CB 4.4Å; I86-F142 HydrophobicContact CG1-CD1 3.98Å; I86-F142 HydrophobicContact CG1-CE1 4.31Å; L138-F142 PolarHBondContact O-N 2.91Å; G139-F142 WeakPolarHBondContact O-CB 3.46Å; G139-F142 PolarHBondContact O-N 2.74Å; V140-F142 VanDerWaalsContact C-N 3.31Å; V140-F142 PolarHBondContact O-N 3.01Å; F142-H144 VanDerWaalsContact C-N 3.32Å; F142-H144 PolarHBondContact O-N 3.48Å; F142-N145 PolarHBondContact O-N 2.84Å; F142-N145 VanDerWaalsContact O-N 3.16Å; F142-M146 HydrophobicContact CE1-CG 4.4Å; F142-M146 HydrophobicContact CE1-SD 4.15Å; F142-M146 HydrophobicContact CZ-CG 4.41Å; F142-M146 HydrophobicContact CZ-SD 4.46Å; F142-M146 WeakPolarHBondContact O-CG 3.39Å; F142-M146 PolarHBondContact O-N 3.15Å
143	L	93.4	Very high	93.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-43.2	177.9	-59.5	-177.5	0	0	0	111.8	A81 I86 G139 V140 N145 M146 L150 F173	A81-L143 HydrophobicContact CB-CD2 3.89Å; I86-L143 HydrophobicContact CD1-CD1 4.02Å; I86-L143 HydrophobicContact CD1-CD2 3.78Å; I86-L143 HydrophobicContact CD1-CG 3.82Å; I86-L143 HydrophobicContact CG1-CD2 4.11Å; G139-L143 WeakPolarHBondContact O-CG 3.33Å; G139-L143 PolarHBondContact O-N 3.2Å; G139-L143 VanDerWaalsContact O-N 3.14Å; V140-L143 PolarHBondContact O-N 3.28Å; L143-N145 VanDerWaalsContact C-N 3.29Å; L143-N145 PolarHBondContact O-N 3.44Å; L143-M146 HydrophobicContact CD2-SD 4.13Å; L143-M146 WeakPolarHBondContact O-CB 3.35Å; L143-M146 WeakPolarHBondContact O-CG 3.42Å; L143-M146 PolarHBondContact O-N 3.44Å; L143-L150 CarbonylContact C-O 3.33Å; L143-L150 VanDerWaalsContact C-O 3.29Å; L143-L150 HydrophobicContact CB-CB 4.34Å; L143-L150 VanDerWaalsContact CB-O 3.29Å; L143-L150 WeakPolarHBondContact CB-O 3.11Å; L143-L150 HydrophobicContact CD2-CD2 4.16Å; L143-L150 PolarHBondContact O-N 3.39Å; L143-F173 HydrophobicContact CD1-CB 4.29Å; L143-F173 HydrophobicContact CD1-CD2 4.37Å; L143-F173 HydrophobicContact CD1-CG 4.22Å; L143-F173 HydrophobicContact CD2-CD2 4.45Å; L143-F173 HydrophobicContact CD2-CE2 4.33Å
144	H	92.1	Very high	92.7	Very high	20 Å²	20	37.8 Å²	37.8	9%	0.093	21%	0.209	C	C	.	.	H	α-helix	trans	-68.2	-25	179.1	-72	-165.7	0	0	0	113.5	V140 N141 F142 P149 L150 V216 D219 F291	V140-H144 WeakPolarHBondContact CG1-NE2 3.45Å; V140-H144 WeakPolarHBondContact O-CB 3.15Å; V140-H144 PolarHBondContact O-CD2 3.32Å; V140-H144 PolarHBondContact O-N 2.9Å; N141-H144 PolarHBondContact O-N 2.77Å; F142-H144 VanDerWaalsContact C-N 3.32Å; F142-H144 PolarHBondContact O-N 3.48Å; H144-P149 WeakPolarHBondContact O-CB 3.31Å; H144-L150 PolarHBondContact CD2-O 2.94Å; H144-V216 PolarHBondContact CE1-O 3.36Å; H144-V216 VanDerWaalsContact CE1-O 3.32Å; H144-V216 WeakPolarHBondContact ND1-CG1 3.33Å; H144-D219 IonicContact CD2-OD2 3.54Å; H144-D219 IonicContact CE1-OD2 3.77Å; H144-D219 IonicContact NE2-OD2 2.77Å; H144-D219 PolarHBondContact NE2-OD2 3.22Å; H144-F291 AromaticContact CE1-CD2 3.61Å; H144-F291 AromaticContact CE1-CE2 3.61Å; H144-F291 AromaticContact ND1-CD2 3.54Å
145	N	93.3	Very high	92.4	Very high	114 Å²	114	35.7 Å²	35.7	61%	0.61	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	2.3	175.8	-75.9	-90.6	0	0	0	113.8	N141 F142 L143	N141-N145 WeakPolarHBondContact O-CB 3.44Å; N141-N145 PolarHBondContact O-N 3.06Å; N141-N145 PolarHBondContact O-ND2 3.14Å; N141-N145 PolarHBondContact OD1-ND2 3.39Å; F142-N145 PolarHBondContact O-N 2.84Å; F142-N145 VanDerWaalsContact O-N 3.16Å; L143-N145 VanDerWaalsContact C-N 3.29Å; L143-N145 PolarHBondContact O-N 3.44Å
146	M	89.4	Confident	92.1	Very high	38 Å²	38	36.2 Å²	36.2	19%	0.187	20%	0.203	C	C	.	.	S	Bend	trans	-61.9	159.5	168.7	-64	-173.8	76.5	0	0	111.1	K80 A81 F142 L143 P148 P149 L150	K80-M146 HydrophobicContact CB-CE 4.11Å; A81-M146 HydrophobicContact CB-CE 4.07Å; A81-M146 HydrophobicContact CB-SD 3.91Å; F142-M146 HydrophobicContact CE1-CG 4.4Å; F142-M146 HydrophobicContact CE1-SD 4.15Å; F142-M146 HydrophobicContact CZ-CG 4.41Å; F142-M146 HydrophobicContact CZ-SD 4.46Å; F142-M146 WeakPolarHBondContact O-CG 3.39Å; F142-M146 PolarHBondContact O-N 3.15Å; L143-M146 HydrophobicContact CD2-SD 4.13Å; L143-M146 WeakPolarHBondContact O-CB 3.35Å; L143-M146 WeakPolarHBondContact O-CG 3.42Å; L143-M146 PolarHBondContact O-N 3.44Å; M146-P148 VanDerWaalsContact C-C 3.43Å; M146-P148 CarbonylContact C-O 3.29Å; M146-P148 VanDerWaalsContact C-O 3.31Å; M146-P148 CarbonylContact O-C 3.57Å; M146-P149 VanDerWaalsContact O-CA 3.28Å; M146-P149 WeakPolarHBondContact O-CA 3.41Å; M146-P149 WeakPolarHBondContact O-CD 3.36Å; M146-L150 HydrophobicContact SD-CB 3.85Å; M146-L150 HydrophobicContact SD-CD2 3.82Å
147	T	84.8	Confident	92	Very high	144 Å²	144	36.2 Å²	36.2	88%	0.883	20%	0.203	S	C	*	.	S	Bend	trans	-119.4	109.6	175.1	-63.8	0	0	0	0	110.4
148	P	86.8	Confident	91.8	Very high	111 Å²	111	39.1 Å²	39.1	72%	0.721	22%	0.216	S	C	*	.	S	Bend	cis	-67.2	160.6	-8.9	32.1	-36.8	0	0	0	112.3	M146 L150	M146-P148 VanDerWaalsContact C-C 3.43Å; M146-P148 CarbonylContact C-O 3.29Å; M146-P148 VanDerWaalsContact C-O 3.31Å; M146-P148 CarbonylContact O-C 3.57Å; P148-L150 PolarHBondContact O-N 3.5Å
149	P	87.1	Confident	91.6	Very high	81 Å²	81	37.8 Å²	37.8	53%	0.526	21%	0.21	S	C	.	.			trans	-54.7	137.8	176.3	-31.1	37.9	0	0	0	112.7	H144 M146	H144-P149 WeakPolarHBondContact O-CB 3.31Å; M146-P149 VanDerWaalsContact O-CA 3.28Å; M146-P149 WeakPolarHBondContact O-CA 3.41Å; M146-P149 WeakPolarHBondContact O-CD 3.36Å
150	L	87.1	Confident	91.6	Very high	31 Å²	31	37.8 Å²	37.8	16%	0.162	21%	0.21	C	C	.	.			trans	-106.1	120	175.8	-175.8	55.9	0	0	0	109	V77 A81 L143 H144 M146 P148 F173	V77-L150 HydrophobicContact CG1-CD1 3.84Å; V77-L150 HydrophobicContact CG1-CD2 3.45Å; V77-L150 VanDerWaalsContact CG1-CD2 3.45Å; V77-L150 HydrophobicContact CG1-CG 4.32Å; A81-L150 HydrophobicContact CB-CD2 4.1Å; L143-L150 CarbonylContact C-O 3.33Å; L143-L150 VanDerWaalsContact C-O 3.29Å; L143-L150 HydrophobicContact CB-CB 4.34Å; L143-L150 VanDerWaalsContact CB-O 3.29Å; L143-L150 WeakPolarHBondContact CB-O 3.11Å; L143-L150 HydrophobicContact CD2-CD2 4.16Å; L143-L150 PolarHBondContact O-N 3.39Å; H144-L150 PolarHBondContact CD2-O 2.94Å; M146-L150 HydrophobicContact SD-CB 3.85Å; M146-L150 HydrophobicContact SD-CD2 3.82Å; P148-L150 PolarHBondContact O-N 3.5Å; L150-F173 HydrophobicContact CD2-CD2 3.78Å; L150-F173 HydrophobicContact CD2-CE2 3.78Å; L150-F173 HydrophobicContact CG-CD2 4.39Å
151	L	87.1	Confident	91.6	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.141	22%	0.22	C	C	.	.			trans	-105.4	139.5	-179.6	-49	-179.1	0	0	0	109.5	H153 A214 V216	L151-H153 VanDerWaalsContact CB-CD2 3.41Å; L151-H153 WeakPolarHBondContact CB-CD2 3.4Å; L151-H153 VanDerWaalsContact CB-NE2 3.34Å; L151-H153 WeakPolarHBondContact CB-NE2 3.36Å; L151-H153 WeakPolarHBondContact CD1-NE2 3.09Å; L151-A214 HydrophobicContact CD1-CB 4.2Å; L151-V216 HydrophobicContact CD2-CG2 4.3Å
152	H	89.3	Confident	91.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.			trans	-79.8	-50.6	-173.8	-172.2	-26	0	0	0	111.6	D154 L155 I170 A171 F173 D219	H152-D154 VanDerWaalsContact CE1-C 3.46Å; H152-D154 PolarHBondContact CE1-O 3.18Å; H152-D154 VanDerWaalsContact CE1-O 3.3Å; H152-D154 PolarHBondContact ND1-N 3.02Å; H152-D154 PolarHBondContact O-N 3.19Å; H152-D154 VanDerWaalsContact O-N 3.08Å; H152-L155 WeakPolarHBondContact CD2-CD1 2.93Å; H152-I170 VanDerWaalsContact CD2-CG2 3.5Å; H152-I170 WeakPolarHBondContact CD2-CG2 3.2Å; H152-A171 PolarHBondContact CE1-O 3.22Å; H152-A171 PolarHBondContact NE2-O 2.9Å; H152-F173 HydrophobicContact CB-CB 4.2Å; H152-D219 PolarHBondContact N-OD2 3.44Å
153	H	86.6	Confident	91.6	Very high	33 Å²	33	37.2 Å²	37.2	15%	0.153	21%	0.209	C	C	.	.	S	Bend	trans	54.7	20.2	-180	-69.9	-157.7	0	0	0	114.9	L151 D219	L151-H153 VanDerWaalsContact CB-CD2 3.41Å; L151-H153 WeakPolarHBondContact CB-CD2 3.4Å; L151-H153 VanDerWaalsContact CB-NE2 3.34Å; L151-H153 WeakPolarHBondContact CB-NE2 3.36Å; L151-H153 WeakPolarHBondContact CD1-NE2 3.09Å; H153-D219 WeakPolarHBondContact CA-OD1 3.33Å; H153-D219 IonicContact CD2-OD1 3.33Å; H153-D219 PolarHBondContact N-OD1 3.41Å
154	D	86.4	Confident	91.7	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.053	22%	0.219	C	C	.	.			trans	-155.2	35.5	170	-161.7	49.8	0	0	0	111.1	F38 H152 K156 N159 R179	F38-D154 WeakPolarHBondContact CE2-OD2 3.43Å; F38-D154 WeakPolarHBondContact CZ-OD2 3.21Å; H152-D154 VanDerWaalsContact CE1-C 3.46Å; H152-D154 PolarHBondContact CE1-O 3.18Å; H152-D154 VanDerWaalsContact CE1-O 3.3Å; H152-D154 PolarHBondContact ND1-N 3.02Å; H152-D154 PolarHBondContact O-N 3.19Å; H152-D154 VanDerWaalsContact O-N 3.08Å; D154-K156 PolarHBondContact O-N 3.4Å; D154-K156 IonicContact OD1-NZ 2.59Å; D154-K156 IonicContact OD2-NZ 3.83Å; D154-K156 PolarHBondContact OD2-NZ 3.32Å; D154-N159 PolarHBondContact O-ND2 3.01Å; D154-N159 PolarHBondContact OD2-ND2 2.78Å; D154-R179 IonicContact OD1-CZ 2.7Å; D154-R179 IonicContact OD1-NH1 3.33Å; D154-R179 PolarHBondContact OD1-NH1 3.45Å; D154-R179 IonicContact OD1-NH2 3.91Å; D154-R179 PolarHBondContact OD1-NH2 3.39Å; D154-R179 IonicContact OD2-NH2 2.78Å; D154-R179 PolarHBondContact OD2-NH2 3.37Å
155	L	92.6	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.237	C	C	.	.			trans	-70.1	122.3	179.3	-166.9	80.4	0	0	0	109	I136 V140 H152 I160 I170 Y200 S222 I226	I136-L155 HydrophobicContact CG2-CD1 4.45Å; I136-L155 HydrophobicContact CG2-CD2 4.3Å; V140-L155 HydrophobicContact CG2-CD1 3.86Å; V140-L155 HydrophobicContact CG2-CD2 4.07Å; H152-L155 WeakPolarHBondContact CD2-CD1 2.93Å; L155-I160 HydrophobicContact CD1-CD1 3.74Å; L155-I160 HydrophobicContact CG-CD1 4.39Å; L155-I170 HydrophobicContact CD1-CD1 4.43Å; L155-I170 HydrophobicContact CD1-CG2 4.24Å; L155-Y200 WeakPolarHBondContact O-CB 3.34Å; L155-S222 WeakPolarHBondContact O-CB 3.21Å; L155-I226 HydrophobicContact CD2-CD1 3.93Å; L155-I226 HydrophobicContact CG-CD1 3.74Å
156	K	93.6	Very high	92.1	Very high	23 Å²	23	36.6 Å²	36.6	10%	0.1	21%	0.208	C	C	.	.			trans	-161.1	158.9	-177.6	63	-169	-171.6	-143.8	0	110	D154 Q158 N159 I160 Y200	D154-K156 PolarHBondContact O-N 3.4Å; D154-K156 IonicContact OD1-NZ 2.59Å; D154-K156 IonicContact OD2-NZ 3.83Å; D154-K156 PolarHBondContact OD2-NZ 3.32Å; K156-Q158 HydrophobicContact CG-CB 4.46Å; K156-Q158 VanDerWaalsContact CG-OE1 3.23Å; K156-Q158 PolarHBondContact O-N 2.88Å; K156-Q158 VanDerWaalsContact O-N 3.08Å; K156-N159 VanDerWaalsContact CE-OD1 3.3Å; K156-N159 WeakPolarHBondContact CE-OD1 3.11Å; K156-N159 HydrophobicContact CG-CB 4.05Å; K156-N159 PolarHBondContact O-N 3.07Å; K156-I160 PolarHBondContact O-N 3.4Å; K156-Y200 HydrophobicContact CB-CD1 4.05Å; K156-Y200 HydrophobicContact CB-CD2 3.5Å; K156-Y200 HydrophobicContact CB-CE1 4.11Å; K156-Y200 HydrophobicContact CB-CE2 3.6Å; K156-Y200 HydrophobicContact CB-CG 3.76Å
157	T	96.7	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.4	-174.3	47.7	0	0	0	0	114.7	L111 D112 L115 Y200 I226 E229	L111-T157 HydrophobicContact CD2-CG2 4.01Å; L111-T157 HydrophobicContact CG-CG2 4.12Å; L111-T157 PolarHBondContact N-O 3.1Å; D112-T157 PolarHBondContact N-O 2.97Å; L115-T157 HydrophobicContact CD1-CG2 4Å; T157-Y200 PolarHBondContact OG1-OH 2.97Å; T157-Y200 VanDerWaalsContact OG1-OH 3.08Å; T157-I226 HydrophobicContact CG2-CB 4.45Å; T157-I226 HydrophobicContact CG2-CG1 4.09Å; T157-I226 HydrophobicContact CG2-CG2 3.94Å; T157-E229 WeakPolarHBondContact CB-OE1 3.42Å; T157-E229 HydrophobicContact CG2-CG 4.4Å; T157-E229 VanDerWaalsContact CG2-OE1 3.25Å; T157-E229 WeakPolarHBondContact CG2-OE1 3.39Å; T157-E229 WeakPolarHBondContact CG2-OE2 3.41Å; T157-E229 PolarHBondContact OG1-OE1 3.15Å; T157-E229 PolarHBondContact OG1-OE2 3.14Å
158	Q	93.1	Very high	93.2	Very high	60 Å²	60	31 Å²	31	28%	0.28	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-25.3	173.3	-53	71.9	30.4	0	0	112.8	D112 K156	D112-Q158 HydrophobicContact CB-CB 4.46Å; D112-Q158 HydrophobicContact CB-CG 3.82Å; D112-Q158 PolarHBondContact OD1-NE2 2.98Å; K156-Q158 HydrophobicContact CG-CB 4.46Å; K156-Q158 VanDerWaalsContact CG-OE1 3.23Å; K156-Q158 PolarHBondContact O-N 2.88Å; K156-Q158 VanDerWaalsContact O-N 3.08Å
159	N	94.3	Very high	93.7	Very high	14 Å²	14	26.9 Å²	26.9	8%	0.075	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.4	178.2	-70.9	-2	0	0	0	112.8	D154 K156 A171	D154-N159 PolarHBondContact O-ND2 3.01Å; D154-N159 PolarHBondContact OD2-ND2 2.78Å; K156-N159 VanDerWaalsContact CE-OD1 3.3Å; K156-N159 WeakPolarHBondContact CE-OD1 3.11Å; K156-N159 HydrophobicContact CG-CB 4.05Å; K156-N159 PolarHBondContact O-N 3.07Å; N159-A171 PolarHBondContact O-N 3.16Å
160	I	97.9	Very high	94.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	108.1	168.4	-50.9	-50.3	0	0	0	107.7	S110 L111 I136 L155 K156 V168 I170	S110-I160 CarbonylContact C-O 3.54Å; S110-I160 VanDerWaalsContact CA-O 3.31Å; S110-I160 WeakPolarHBondContact CA-O 3.36Å; L111-I160 HydrophobicContact CB-CB 3.84Å; L111-I160 HydrophobicContact CB-CG2 3.95Å; L111-I160 HydrophobicContact CD2-CB 4.13Å; L111-I160 HydrophobicContact CD2-CG1 4.32Å; L111-I160 HydrophobicContact CD2-CG2 3.95Å; L111-I160 PolarHBondContact N-O 3.23Å; I136-I160 HydrophobicContact CD1-CD1 4.35Å; I136-I160 HydrophobicContact CD1-CG1 4.07Å; I136-I160 HydrophobicContact CD1-CG2 3.99Å; I136-I160 HydrophobicContact CG1-CD1 4.09Å; I136-I160 HydrophobicContact CG1-CG1 4.28Å; I136-I160 HydrophobicContact CG1-CG2 3.92Å; I136-I160 HydrophobicContact CG2-CD1 4.2Å; L155-I160 HydrophobicContact CD1-CD1 3.74Å; L155-I160 HydrophobicContact CG-CD1 4.39Å; K156-I160 PolarHBondContact O-N 3.4Å; I160-V168 HydrophobicContact CG2-CB 4.43Å; I160-V168 HydrophobicContact CG2-CG1 3.79Å; I160-V168 HydrophobicContact CG2-CG2 3.99Å; I160-I170 HydrophobicContact CD1-CG1 4.11Å
161	L	97.8	Very high	94.4	Very high	42 Å²	42	21.9 Å²	21.9	22%	0.22	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	161.7	-179.5	-53.9	-176.1	0	0	0	112.1	I87 M106 G109 V168 K169 A171	I87-L161 HydrophobicContact CD1-CD1 4.32Å; M106-L161 HydrophobicContact CB-CB 3.89Å; M106-L161 HydrophobicContact CB-CD1 4.3Å; M106-L161 HydrophobicContact CG-CB 3.6Å; M106-L161 HydrophobicContact CG-CD1 3.92Å; M106-L161 HydrophobicContact CG-CG 4.43Å; M106-L161 HydrophobicContact SD-CB 4.25Å; G109-L161 CarbonylContact O-C 3.52Å; G109-L161 WeakPolarHBondContact O-CA 3.4Å; L161-V168 WeakPolarHBondContact O-CA 3.4Å; L161-K169 HydrophobicContact CB-CB 4.47Å; L161-K169 WeakPolarHBondContact CB-O 3.43Å; L161-K169 PolarHBondContact N-O 3.11Å; L161-K169 PolarHBondContact O-N 2.91Å; L161-A171 HydrophobicContact CD1-CB 3.68Å; L161-A171 HydrophobicContact CG-CB 3.99Å
162	L	98.3	Very high	94.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.1	-171.7	-62.8	169.7	0	0	0	112.2	M106 N108 G109 L114 F166	M106-L162 CarbonylContact C-O 3.57Å; M106-L162 WeakPolarHBondContact CB-O 3.4Å; N108-L162 HydrophobicContact CB-CB 3.92Å; N108-L162 PolarHBondContact N-O 3.33Å; N108-L162 VanDerWaalsContact N-O 3.14Å; G109-L162 PolarHBondContact O-N 2.69Å; L114-L162 HydrophobicContact CB-CD1 3.82Å; L114-L162 HydrophobicContact CD2-CD1 3.75Å; L114-L162 HydrophobicContact CG-CD1 4.37Å; L162-F166 HydrophobicContact CD1-CD1 4.14Å
163	D	96.9	Very high	93.4	Very high	33 Å²	33	22.5 Å²	22.5	18%	0.176	12%	0.115	C	C	.	.			trans	-75.9	-170.5	177.9	79.2	-1.9	0	0	0	112.9	M106 N108 E165 F166 H167	M106-D163 HydrophobicContact CE-CB 3.83Å; M106-D163 HydrophobicContact SD-CB 4.02Å; N108-D163 PolarHBondContact ND2-O 3.37Å; D163-E165 PolarHBondContact O-N 2.93Å; D163-E165 WeakPolarHBondContact OD1-CA 3.22Å; D163-E165 PolarHBondContact OD1-N 2.87Å; D163-F166 PolarHBondContact O-N 3.34Å; D163-F166 PolarHBondContact OD1-N 3.41Å; D163-H167 PolarHBondContact N-O 2.86Å; D163-H167 VanDerWaalsContact N-O 3.15Å; D163-H167 PolarHBondContact OD1-N 3.29Å
164	G	95.2	Very high	92.1	Very high	21 Å²	21	22.4 Å²	22.4	22%	0.216	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27	179.3	0	0	0	0	0	114.6	S107 N108 K318	S107-G164 WeakPolarHBondContact OG-CA 3.37Å; N108-G164 PolarHBondContact ND2-O 3.13Å; G164-K318 WeakPolarHBondContact O-CE 3.44Å; G164-K318 PolarHBondContact O-NZ 3.28Å
165	E	95.9	Very high	90.7	Very high	99 Å²	99	22.5 Å²	22.5	46%	0.463	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	9	-170.9	-80.8	46.1	-106.4	0	0	111.6	R131 D163 H167 V314 K318	R131-E165 PolarHBondContact NH2-O 2.93Å; D163-E165 PolarHBondContact O-N 2.93Å; D163-E165 WeakPolarHBondContact OD1-CA 3.22Å; D163-E165 PolarHBondContact OD1-N 2.87Å; E165-H167 VanDerWaalsContact C-N 3.28Å; E165-H167 PolarHBondContact O-N 3.13Å; E165-V314 WeakPolarHBondContact O-CG2 3.32Å; E165-K318 IonicContact OE1-NZ 2.72Å; E165-K318 PolarHBondContact OE1-NZ 2.84Å
166	F	97.3	Very high	88.9	Confident	1 Å²	1	23.6 Å²	23.6	0%	0.004	13%	0.131	C	C	.	.			trans	59.9	32.7	-176.3	-61.6	-102.1	0	0	0	113.2	N108 L114 L128 R131 L162 D163 V314 I317 K318	N108-F166 HydrophobicContact CB-CD1 4.09Å; N108-F166 HydrophobicContact CB-CE1 3.64Å; N108-F166 HydrophobicContact CB-CE2 4.37Å; N108-F166 HydrophobicContact CB-CZ 3.8Å; N108-F166 VanDerWaalsContact ND2-CE2 3.35Å; N108-F166 WeakPolarHBondContact ND2-CE2 3.46Å; N108-F166 VanDerWaalsContact OD1-CZ 3.24Å; N108-F166 WeakPolarHBondContact OD1-CZ 3.37Å; L114-F166 HydrophobicContact CD1-CD1 4.35Å; L114-F166 HydrophobicContact CD1-CE1 4.11Å; L114-F166 HydrophobicContact CD2-CD1 4.2Å; L128-F166 HydrophobicContact CD1-CB 4.14Å; L128-F166 HydrophobicContact CD2-CB 4.19Å; R131-F166 PolarHBondContact NH2-O 2.91Å; L162-F166 HydrophobicContact CD1-CD1 4.14Å; D163-F166 PolarHBondContact O-N 3.34Å; D163-F166 PolarHBondContact OD1-N 3.41Å; F166-V314 HydrophobicContact CB-CG2 4.35Å; F166-V314 HydrophobicContact CD2-CG1 4.04Å; F166-V314 HydrophobicContact CD2-CG2 4.44Å; F166-I317 HydrophobicContact CE1-CG2 3.68Å; F166-I317 HydrophobicContact CE2-CG2 3.89Å; F166-I317 HydrophobicContact CZ-CB 4.42Å; F166-I317 HydrophobicContact CZ-CG2 3.31Å; F166-K318 HydrophobicContact CE2-CG 4.09Å
167	H	98.4	Very high	86.6	Confident	64 Å²	64	30.3 Å²	30.3	30%	0.296	16%	0.161	S	C	.	.			trans	-81	151	161.7	-66.3	-80.8	0	0	0	110.2	R131 E135 D163 E165	R131-H167 PolarHBondContact NH1-CE1 3.17Å; R131-H167 PolarHBondContact NH1-NE2 2.99Å; E135-H167 IonicContact OE1-CE1 2.74Å; E135-H167 IonicContact OE1-CG 2.68Å; E135-H167 IonicContact OE1-ND1 2.68Å; E135-H167 PolarHBondContact OE1-ND1 2.82Å; E135-H167 VanDerWaalsContact OE2-CA 3.3Å; E135-H167 WeakPolarHBondContact OE2-CA 3.29Å; E135-H167 IonicContact OE2-CG 3.78Å; E135-H167 IonicContact OE2-ND1 3.03Å; D163-H167 PolarHBondContact N-O 2.86Å; D163-H167 VanDerWaalsContact N-O 3.15Å; D163-H167 PolarHBondContact OD1-N 3.29Å; E165-H167 VanDerWaalsContact C-N 3.28Å; E165-H167 PolarHBondContact O-N 3.13Å
168	V	98.5	Very high	84.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	136.5	-175.9	163.8	0	0	0	0	111.8	H85 T132 E135 I136 I160 L161 I170	H85-V168 VanDerWaalsContact CA-O 3.28Å; H85-V168 WeakPolarHBondContact CA-O 3.38Å; T132-V168 HydrophobicContact CG2-CG2 3.87Å; E135-V168 HydrophobicContact CB-CB 3.82Å; E135-V168 HydrophobicContact CB-CG2 4.04Å; E135-V168 PolarHBondContact OE2-N 2.92Å; I136-V168 HydrophobicContact CG1-CG1 3.88Å; I136-V168 HydrophobicContact CG1-CG2 4.09Å; I160-V168 HydrophobicContact CG2-CB 4.43Å; I160-V168 HydrophobicContact CG2-CG1 3.79Å; I160-V168 HydrophobicContact CG2-CG2 3.99Å; L161-V168 WeakPolarHBondContact O-CA 3.4Å; V168-I170 HydrophobicContact CG1-CG1 4.12Å
169	K	98.1	Very high	81.9	Confident	26 Å²	26	33.3 Å²	33.3	11%	0.113	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.8	161.9	-62.7	-61.7	-173.1	130.9	0	110.3	N84 I87 E104 M106 L161 A171	N84-K169 VanDerWaalsContact O-CD 3.22Å; N84-K169 WeakPolarHBondContact O-CD 3.34Å; N84-K169 WeakPolarHBondContact O-CE 3.22Å; N84-K169 PolarHBondContact O-NZ 3.01Å; I87-K169 HydrophobicContact CB-CB 4.43Å; I87-K169 HydrophobicContact CD1-CB 3.78Å; I87-K169 HydrophobicContact CD1-CG 4.25Å; E104-K169 VanDerWaalsContact CD-NZ 3.31Å; E104-K169 WeakPolarHBondContact OE1-CD 3.46Å; E104-K169 WeakPolarHBondContact OE1-CE 3.48Å; E104-K169 IonicContact OE1-NZ 3.31Å; E104-K169 PolarHBondContact OE1-NZ 2.83Å; E104-K169 IonicContact OE2-NZ 3.62Å; E104-K169 PolarHBondContact OE2-NZ 3.01Å; E104-K169 VanDerWaalsContact OE2-NZ 3.1Å; M106-K169 HydrophobicContact CE-CG 3.98Å; M106-K169 HydrophobicContact SD-CB 3.72Å; M106-K169 HydrophobicContact SD-CG 3.4Å; M106-K169 WeakPolarHBondContact SD-CG 3.45Å; L161-K169 HydrophobicContact CB-CB 4.47Å; L161-K169 WeakPolarHBondContact CB-O 3.43Å; L161-K169 PolarHBondContact N-O 3.11Å; L161-K169 PolarHBondContact O-N 2.91Å; K169-A171 PolarHBondContact O-N 3.39Å
170	I	96.9	Very high	79.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.2	173.9	-57.5	178.8	0	0	0	109.1	H85 I86 I87 I136 V140 H152 L155 I160 V168 F173	H85-I170 WeakPolarHBondContact O-CG1 3.18Å; H85-I170 PolarHBondContact O-N 3.38Å; I86-I170 HydrophobicContact CD1-CB 4Å; I86-I170 HydrophobicContact CD1-CD1 4.15Å; I86-I170 HydrophobicContact CD1-CG1 4.41Å; I87-I170 PolarHBondContact N-O 3.49Å; I136-I170 HydrophobicContact CG2-CD1 4.43Å; V140-I170 HydrophobicContact CG2-CD1 3.63Å; H152-I170 VanDerWaalsContact CD2-CG2 3.5Å; H152-I170 WeakPolarHBondContact CD2-CG2 3.2Å; L155-I170 HydrophobicContact CD1-CD1 4.43Å; L155-I170 HydrophobicContact CD1-CG2 4.24Å; I160-I170 HydrophobicContact CD1-CG1 4.11Å; V168-I170 HydrophobicContact CG1-CG1 4.12Å; I170-F173 HydrophobicContact CG2-CD1 4.43Å
171	A	91.9	Very high	76.3	Confident	7 Å²	7	43 Å²	43	6%	0.058	22%	0.217	C	C	.	.			trans	-115.9	171.8	178.2	0	0	0	0	0	112	I87 H152 N159 L161 K169 F173	I87-A171 HydrophobicContact CB-CB 4.2Å; I87-A171 HydrophobicContact CG2-CB 3.96Å; H152-A171 PolarHBondContact CE1-O 3.22Å; H152-A171 PolarHBondContact NE2-O 2.9Å; N159-A171 PolarHBondContact O-N 3.16Å; L161-A171 HydrophobicContact CD1-CB 3.68Å; L161-A171 HydrophobicContact CG-CB 3.99Å; K169-A171 PolarHBondContact O-N 3.39Å; A171-F173 PolarHBondContact O-N 3.05Å
172	D	82.5	Confident	73.3	Confident	36 Å²	36	43.1 Å²	43.1	19%	0.193	22%	0.221	C	C	.	.	S	Bend	trans	55.9	25.1	171.7	-79.8	23.4	0	0	0	116.6	F38 K56 L175	F38-D172 HydrophobicContact CD2-CB 4.36Å; F38-D172 WeakPolarHBondContact CD2-OD2 3.46Å; F38-D172 HydrophobicContact CE2-CB 4.38Å; K56-D172 IonicContact NZ-OD1 3.69Å; K56-D172 PolarHBondContact NZ-OD1 2.76Å; K56-D172 IonicContact NZ-OD2 3.63Å; K56-D172 PolarHBondContact NZ-OD2 2.61Å; K56-D172 VanDerWaalsContact NZ-OD2 3.09Å; D172-L175 HydrophobicContact CB-CD1 3.61Å; D172-L175 WeakPolarHBondContact O-CD1 3.47Å
173	F	72.6	Confident	70.5	Confident	3 Å²	3	48 Å²	48	1%	0.013	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	154.7	168.8	62.4	-87.5	0	0	0	112.5	V77 L78 A81 I86 I87 L143 L150 H152 I170 A171 L175	V77-F173 HydrophobicContact CG1-CD2 4.48Å; V77-F173 HydrophobicContact CG1-CE2 4.22Å; L78-F173 HydrophobicContact CD2-CD1 4.49Å; L78-F173 HydrophobicContact CD2-CE1 3.54Å; L78-F173 HydrophobicContact CD2-CE2 4.28Å; L78-F173 HydrophobicContact CD2-CZ 3.43Å; L78-F173 VanDerWaalsContact CD2-CZ 3.43Å; L78-F173 HydrophobicContact CG-CE2 4.45Å; L78-F173 HydrophobicContact CG-CZ 4.03Å; A81-F173 HydrophobicContact CB-CE2 3.57Å; A81-F173 HydrophobicContact CB-CZ 3.71Å; I86-F173 HydrophobicContact CG2-CD1 4.26Å; I86-F173 HydrophobicContact CG2-CE1 3.25Å; I86-F173 HydrophobicContact CG2-CE2 4.43Å; I86-F173 HydrophobicContact CG2-CZ 3.34Å; I87-F173 HydrophobicContact CG2-CE1 4.25Å; L143-F173 HydrophobicContact CD1-CB 4.29Å; L143-F173 HydrophobicContact CD1-CD2 4.37Å; L143-F173 HydrophobicContact CD1-CG 4.22Å; L143-F173 HydrophobicContact CD2-CD2 4.45Å; L143-F173 HydrophobicContact CD2-CE2 4.33Å; L150-F173 HydrophobicContact CD2-CD2 3.78Å; L150-F173 HydrophobicContact CD2-CE2 3.78Å; L150-F173 HydrophobicContact CG-CD2 4.39Å; H152-F173 HydrophobicContact CB-CB 4.2Å; I170-F173 HydrophobicContact CG2-CD1 4.43Å; A171-F173 PolarHBondContact O-N 3.05Å; F173-L175 PolarHBondContact O-N 3.1Å
174	G	59.9	Low	67.4	Low	32 Å²	32	50.8 Å²	50.8	33%	0.33	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-11.1	-178.1	0	0	0	0	0	115.6	S176	G174-S176 VanDerWaalsContact C-N 3.28Å; G174-S176 PolarHBondContact O-N 2.88Å
175	L	56.6	Low	64.5	Low	11 Å²	11	55.3 Å²	55.3	6%	0.058	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.3	-179.4	-72.2	166.4	0	0	0	115	F38 E74 D172 F173 K177 W178 R179	F38-L175 HydrophobicContact CB-CD1 4.21Å; F38-L175 HydrophobicContact CD1-CB 4.1Å; F38-L175 HydrophobicContact CD1-CD1 3.66Å; F38-L175 HydrophobicContact CD1-CD2 4.23Å; F38-L175 HydrophobicContact CD1-CG 4.22Å; F38-L175 HydrophobicContact CD2-CD1 4.01Å; F38-L175 HydrophobicContact CE1-CB 3.68Å; F38-L175 HydrophobicContact CE1-CD1 3.92Å; F38-L175 HydrophobicContact CE1-CG 4.29Å; F38-L175 HydrophobicContact CE2-CD1 4.23Å; F38-L175 HydrophobicContact CG-CD1 3.71Å; F38-L175 HydrophobicContact CZ-CB 4.15Å; F38-L175 HydrophobicContact CZ-CD1 4.18Å; E74-L175 VanDerWaalsContact CD-CD2 3.49Å; E74-L175 HydrophobicContact CG-CD2 4.24Å; D172-L175 HydrophobicContact CB-CD1 3.61Å; D172-L175 WeakPolarHBondContact O-CD1 3.47Å; F173-L175 PolarHBondContact O-N 3.1Å; L175-K177 PolarHBondContact O-N 3.39Å; L175-W178 CarbonylContact O-C 3.31Å; L175-W178 VanDerWaalsContact O-CA 3.3Å; L175-W178 WeakPolarHBondContact O-CA 3.48Å; L175-W178 VanDerWaalsContact O-CB 3.22Å; L175-W178 WeakPolarHBondContact O-CB 3.43Å; L175-W178 PolarHBondContact O-N 3.47Å; L175-R179 PolarHBondContact O-N 2.59Å; L175-R179 VanDerWaalsContact O-N 3.08Å
176	S	54.5	Low	61.5	Low	23 Å²	23	54.7 Å²	54.7	16%	0.161	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-37.5	-172.9	57.7	0	0	0	0	114.7	G174 W178 R179	G174-S176 VanDerWaalsContact C-N 3.28Å; G174-S176 PolarHBondContact O-N 2.88Å; S176-W178 PolarHBondContact O-N 3.26Å; S176-R179 PolarHBondContact O-N 3.37Å
177	K	45.8	Very low	58.5	Low	165 Å²	165	58.6 Å²	58.6	72%	0.717	33%	0.334	S	S	*	.	H	α-helix	trans	-68.1	-19.5	170.8	-72.3	-178.6	177.9	174	0	112.5	L175	L175-K177 PolarHBondContact O-N 3.39Å
178	W	45	Very low	55.4	Low	69 Å²	69	59.5 Å²	59.5	26%	0.261	36%	0.361	S	S	.	.	H	α-helix	trans	-85	-31.4	177	-131.6	81.3	0	0	0	113.2	E67 C70 L175 S176 Q180 L181 S182	E67-W178 HydrophobicContact CB-CZ2 4.43Å; E67-W178 HydrophobicContact CG-CH2 4.09Å; E67-W178 HydrophobicContact CG-CZ2 4.05Å; C70-W178 HydrophobicContact CB-CZ2 4.47Å; C70-W178 PolarHBondContact SG-NE1 3.26Å; L175-W178 CarbonylContact O-C 3.31Å; L175-W178 VanDerWaalsContact O-CA 3.3Å; L175-W178 WeakPolarHBondContact O-CA 3.48Å; L175-W178 VanDerWaalsContact O-CB 3.22Å; L175-W178 WeakPolarHBondContact O-CB 3.43Å; L175-W178 PolarHBondContact O-N 3.47Å; S176-W178 PolarHBondContact O-N 3.26Å; W178-Q180 PolarHBondContact O-N 3.16Å; W178-L181 WeakPolarHBondContact O-CA 3.42Å; W178-L181 PolarHBondContact O-N 2.72Å; W178-S182 PolarHBondContact O-N 2.97Å; W178-S182 PolarHBondContact O-OG 3.32Å
179	R	46	Very low	52.3	Low	54 Å²	54	63.1 Å²	63.1	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-52.1	-39.9	170.2	175.8	174.6	-79.9	149.6	-2.7	112.1	D154 L175 S176 L181 S182 V183 T197	D154-R179 IonicContact OD1-CZ 2.7Å; D154-R179 IonicContact OD1-NH1 3.33Å; D154-R179 PolarHBondContact OD1-NH1 3.45Å; D154-R179 IonicContact OD1-NH2 3.91Å; D154-R179 PolarHBondContact OD1-NH2 3.39Å; D154-R179 IonicContact OD2-NH2 2.78Å; D154-R179 PolarHBondContact OD2-NH2 3.37Å; L175-R179 PolarHBondContact O-N 2.59Å; L175-R179 VanDerWaalsContact O-N 3.08Å; S176-R179 PolarHBondContact O-N 3.37Å; R179-L181 VanDerWaalsContact C-N 3.32Å; R179-L181 PolarHBondContact O-N 2.86Å; R179-S182 PolarHBondContact O-OG 3.15Å; R179-V183 HydrophobicContact CG-CG2 4.23Å; R179-V183 VanDerWaalsContact O-CB 3.3Å; R179-V183 WeakPolarHBondContact O-CB 3.37Å; R179-V183 WeakPolarHBondContact O-CG2 3.28Å; R179-V183 PolarHBondContact O-N 3.1Å; R179-T197 VanDerWaalsContact CZ-CG2 3.49Å
180	Q	40.3	Very low	49.2	Very low	120 Å²	120	70 Å²	70	56%	0.561	42%	0.416	S	S	*	.	H	α-helix	trans	-64.8	-34.9	176.5	-64.1	-180	-8.5	0	0	112.5	W178 S184	W178-Q180 PolarHBondContact O-N 3.16Å; Q180-S184 WeakPolarHBondContact O-CB 3.45Å; Q180-S184 PolarHBondContact O-N 2.97Å
181	L	33.9	Very low	46.2	Very low	96 Å²	96	75 Å²	75	50%	0.503	45%	0.449	S	S	.	.	H	α-helix	trans	-79	-42.3	178.6	-68.9	166.1	0	0	0	112.4	W178 R179 S184	W178-L181 WeakPolarHBondContact O-CA 3.42Å; W178-L181 PolarHBondContact O-N 2.72Å; R179-L181 VanDerWaalsContact C-N 3.32Å; R179-L181 PolarHBondContact O-N 2.86Å; L181-S184 PolarHBondContact O-N 3.23Å; L181-S184 PolarHBondContact O-OG 2.84Å
182	S	34.8	Very low	43.6	Very low	45 Å²	45	79.1 Å²	79.1	32%	0.315	47%	0.474	S	S	.	.	H	α-helix	trans	-69.1	-40.1	179.3	58.7	0	0	0	0	112.7	W178 R179 S184 K185	W178-S182 PolarHBondContact O-N 2.97Å; W178-S182 PolarHBondContact O-OG 3.32Å; R179-S182 PolarHBondContact O-OG 3.15Å; S182-S184 VanDerWaalsContact C-N 3.29Å; S182-S184 PolarHBondContact O-N 2.88Å; S182-K185 PolarHBondContact O-N 3.34Å; S182-K185 VanDerWaalsContact O-O 3.12Å
183	V	38.8	Very low	41.8	Very low	102 Å²	102	81.9 Å²	81.9	62%	0.618	49%	0.486	S	S	*	.	H	α-helix	trans	-68.3	-28	175.5	174	0	0	0	0	111.8	R179 K185	R179-V183 HydrophobicContact CG-CG2 4.23Å; R179-V183 VanDerWaalsContact O-CB 3.3Å; R179-V183 WeakPolarHBondContact O-CB 3.37Å; R179-V183 WeakPolarHBondContact O-CG2 3.28Å; R179-V183 PolarHBondContact O-N 3.1Å; V183-K185 PolarHBondContact O-N 3Å
184	S	32.2	Very low	40.3	Very low	93 Å²	93	87.6 Å²	87.6	65%	0.65	51%	0.514	S	S	*	.	H	α-helix	trans	-69.2	-17.6	177	76.5	0	0	0	0	114.5	Q180 L181 S182	Q180-S184 WeakPolarHBondContact O-CB 3.45Å; Q180-S184 PolarHBondContact O-N 2.97Å; L181-S184 PolarHBondContact O-N 3.23Å; L181-S184 PolarHBondContact O-OG 2.84Å; S182-S184 VanDerWaalsContact C-N 3.29Å; S182-S184 PolarHBondContact O-N 2.88Å
185	K	33.8	Very low	39.5	Very low	115 Å²	115	89.3 Å²	89.3	50%	0.5	51%	0.513	S	S	.	.	S	Bend	trans	-95.5	111	165.9	-65.9	-177.5	-171.5	173	0	108.2	E67 S182 V183 S187	E67-K185 IonicContact OE1-NZ 3.81Å; E67-K185 PolarHBondContact OE1-NZ 3.03Å; S182-K185 PolarHBondContact O-N 3.34Å; S182-K185 VanDerWaalsContact O-O 3.12Å; V183-K185 PolarHBondContact O-N 3Å; K185-S187 PolarHBondContact O-N 2.69Å
186	G	34.3	Very low	39.3	Very low	87 Å²	87	90.2 Å²	90.2	90%	0.897	53%	0.525	S	S	*	.			trans	-66.5	61.4	-177.5	0	0	0	0	0	115.7
187	S	33.7	Very low	39.9	Very low	82 Å²	82	90 Å²	90	57%	0.573	52%	0.523	S	S	*	.			trans	-81.1	120	171	-171.4	0	0	0	0	108.7	K185 S189	K185-S187 PolarHBondContact O-N 2.69Å; S187-S189 PolarHBondContact O-N 3.11Å
188	G	33.5	Very low	41.6	Very low	84 Å²	84	82.4 Å²	82.4	87%	0.866	49%	0.49	S	S	*	.			trans	-72.4	57.1	-177	0	0	0	0	0	114.8
189	S	33.7	Very low	43.8	Very low	76 Å²	76	80 Å²	80	53%	0.531	48%	0.482	S	S	.	.			trans	-60.4	138.4	162.7	43.7	0	0	0	0	109.9	S187	S187-S189 PolarHBondContact O-N 3.11Å
190	K	32.1	Very low	46	Very low	169 Å²	169	78 Å²	78	74%	0.735	47%	0.474	S	S	*	.			trans	-58.4	148.2	-176.1	-67.9	180	178.3	-179.6	0	111.3	T192	K190-T192 PolarHBondContact O-N 3.17Å
191	P	34	Very low	48.4	Very low	105 Å²	105	73.9 Å²	73.9	68%	0.682	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.7	-172.4	23.3	-34.5	0	0	0	115	E193 M194 E195	P191-E193 PolarHBondContact O-N 2.73Å; P191-E193 VanDerWaalsContact O-N 3.14Å; P191-M194 VanDerWaalsContact O-CB 3.27Å; P191-M194 WeakPolarHBondContact O-CB 3.48Å; P191-M194 PolarHBondContact O-N 3.25Å; P191-E195 PolarHBondContact O-N 3.01Å
192	T	37.6	Very low	51.2	Low	94 Å²	94	69.3 Å²	69.3	58%	0.577	43%	0.432	S	S	*	.	H	α-helix	trans	-57.5	-26.3	-177	-32.2	0	0	0	0	114.4	K190	K190-T192 PolarHBondContact O-N 3.17Å
193	E	43.9	Very low	53.8	Low	95 Å²	95	67.5 Å²	67.5	44%	0.444	42%	0.419	S	S	.	.	H	α-helix	trans	-82.6	-22.3	175.3	-69.6	-173.9	-134.4	0	0	113.5	G37 P191 T197	G37-E193 PolarHBondContact N-OE2 2.91Å; P191-E193 PolarHBondContact O-N 2.73Å; P191-E193 VanDerWaalsContact O-N 3.14Å; E193-T197 PolarHBondContact O-OG1 3.26Å
194	M	42.8	Very low	56	Low	123 Å²	123	64 Å²	64	61%	0.606	40%	0.396	S	S	*	.	H	α-helix	trans	-73.1	-36.8	174.1	-164.6	75.2	171.9	0	0	110.8	P191 T197 V198	P191-M194 VanDerWaalsContact O-CB 3.27Å; P191-M194 WeakPolarHBondContact O-CB 3.48Å; P191-M194 PolarHBondContact O-N 3.25Å; M194-T197 PolarHBondContact O-N 3.03Å; M194-V198 PolarHBondContact O-N 2.82Å
195	E	42.4	Very low	58.4	Low	68 Å²	68	61.6 Å²	61.6	32%	0.318	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-56.1	-177.7	177.2	156	-121.1	0	0	113.2	P191 T197 V198 P243	P191-E195 PolarHBondContact O-N 3.01Å; E195-T197 PolarHBondContact O-N 2.77Å; E195-T197 VanDerWaalsContact O-N 3.14Å; E195-V198 WeakPolarHBondContact O-CG2 3.46Å; E195-V198 PolarHBondContact O-N 2.93Å; E195-P243 HydrophobicContact CB-CG 3.65Å; E195-P243 HydrophobicContact CG-CG 3.8Å
196	G	51.9	Low	60.5	Low	29 Å²	29	57.7 Å²	57.7	30%	0.299	36%	0.357	S	S	.	.	H	α-helix	trans	-65.7	-15.2	177.2	0	0	0	0	0	114.7	Y200	G196-Y200 WeakPolarHBondContact O-CD2 3.24Å; G196-Y200 VanDerWaalsContact O-CE2 3.26Å; G196-Y200 WeakPolarHBondContact O-CE2 3.36Å
197	T	66.5	Low	62.2	Low	20 Å²	20	55.6 Å²	55.6	12%	0.123	33%	0.325	C	S	.	.	H	α-helix	trans	-83.8	-36.3	-178	-61.7	0	0	0	0	112.6	R179 E193 M194 E195 I199 M201	R179-T197 VanDerWaalsContact CZ-CG2 3.49Å; E193-T197 PolarHBondContact O-OG1 3.26Å; M194-T197 PolarHBondContact O-N 3.03Å; E195-T197 PolarHBondContact O-N 2.77Å; E195-T197 VanDerWaalsContact O-N 3.14Å; T197-I199 VanDerWaalsContact C-N 3.33Å; T197-I199 PolarHBondContact O-N 2.91Å; T197-M201 HydrophobicContact CG2-CE 4.11Å
198	V	82	Confident	63.3	Low	5 Å²	5	57.3 Å²	57.3	3%	0.03	33%	0.334	C	S	.	.	H	α-helix	trans	-72.1	-26.1	-175.3	-63.5	0	0	0	0	113.2	M194 E195 Y200 M201 Y206 P243 M247	M194-V198 PolarHBondContact O-N 2.82Å; E195-V198 WeakPolarHBondContact O-CG2 3.46Å; E195-V198 PolarHBondContact O-N 2.93Å; V198-Y200 PolarHBondContact O-N 3.36Å; V198-Y200 VanDerWaalsContact O-N 3.15Å; V198-M201 PolarHBondContact O-N 2.97Å; V198-Y206 HydrophobicContact CB-CE1 4.36Å; V198-Y206 HydrophobicContact CG1-CE1 4.28Å; V198-Y206 PolarHBondContact O-OH 2.88Å; V198-P243 HydrophobicContact CG2-CB 3.93Å; V198-M247 HydrophobicContact CB-CG 4.11Å; V198-M247 HydrophobicContact CG1-CG 4.09Å; V198-M247 HydrophobicContact CG1-SD 3.96Å; V198-M247 HydrophobicContact CG2-CG 4.41Å
199	I	91.6	Very high	64.4	Low	17 Å²	17	58 Å²	58	9%	0.087	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-38.3	-178.5	-70.2	170.8	0	0	0	112.4	T197 I225 P236 Y237 I246	T197-I199 VanDerWaalsContact C-N 3.33Å; T197-I199 PolarHBondContact O-N 2.91Å; I199-I225 HydrophobicContact CG2-CG2 3.91Å; I199-P236 HydrophobicContact CG2-CB 3.67Å; I199-P236 HydrophobicContact CG2-CG 3.83Å; I199-Y237 HydrophobicContact CG1-CD2 4.42Å; I199-Y237 HydrophobicContact CG2-CD2 4.42Å; I199-I246 HydrophobicContact CG1-CD1 4.19Å
200	Y	93	Very high	65.6	Low	12 Å²	12	59.3 Å²	59.3	5%	0.047	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	0.9	-178	-46.5	-90.2	0	0	0	113.5	L155 K156 T157 G196 V198 S222 I225 I226 E229	L155-Y200 WeakPolarHBondContact O-CB 3.34Å; K156-Y200 HydrophobicContact CB-CD1 4.05Å; K156-Y200 HydrophobicContact CB-CD2 3.5Å; K156-Y200 HydrophobicContact CB-CE1 4.11Å; K156-Y200 HydrophobicContact CB-CE2 3.6Å; K156-Y200 HydrophobicContact CB-CG 3.76Å; T157-Y200 PolarHBondContact OG1-OH 2.97Å; T157-Y200 VanDerWaalsContact OG1-OH 3.08Å; G196-Y200 WeakPolarHBondContact O-CD2 3.24Å; G196-Y200 VanDerWaalsContact O-CE2 3.26Å; G196-Y200 WeakPolarHBondContact O-CE2 3.36Å; V198-Y200 PolarHBondContact O-N 3.36Å; V198-Y200 VanDerWaalsContact O-N 3.15Å; Y200-S222 WeakPolarHBondContact O-CA 3.42Å; Y200-S222 WeakPolarHBondContact O-CB 3.31Å; Y200-S222 PolarHBondContact O-OG 2.82Å; Y200-I225 HydrophobicContact CD1-CB 4.09Å; Y200-I225 HydrophobicContact CD1-CG2 3.72Å; Y200-I225 HydrophobicContact CE1-CG2 3.92Å; Y200-I226 HydrophobicContact CD1-CG1 3.97Å; Y200-I226 HydrophobicContact CE1-CG1 3.94Å; Y200-E229 VanDerWaalsContact CE1-OE2 3.3Å; Y200-E229 WeakPolarHBondContact CE1-OE2 3.45Å; Y200-E229 PolarHBondContact OH-OE2 3.19Å
201	M	90.6	Very high	66.4	Low	34 Å²	34	57 Å²	57	17%	0.167	32%	0.322	C	S	.	.			trans	-91.3	130.4	-174.2	-176.4	175	-67.8	0	0	111	T197 V198 E205 Y206 Y221	T197-M201 HydrophobicContact CG2-CE 4.11Å; V198-M201 PolarHBondContact O-N 2.97Å; M201-E205 HydrophobicContact CG-CB 3.8Å; M201-E205 HydrophobicContact SD-CB 3.97Å; M201-Y206 HydrophobicContact CB-CE1 4.06Å; M201-Y206 HydrophobicContact CG-CD1 4.43Å; M201-Y206 HydrophobicContact CG-CE1 3.78Å; M201-Y206 PolarHBondContact O-OH 3.27Å; M201-Y206 HydrophobicContact SD-CD1 3.92Å; M201-Y206 HydrophobicContact SD-CE1 3.54Å; M201-Y206 VanDerWaalsContact SD-CE1 3.54Å; M201-Y221 VanDerWaalsContact O-CE1 3.31Å; M201-Y221 WeakPolarHBondContact O-CE1 3.5Å
202	P	91.1	Very high	67.4	Low	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.313	C	S	.	.			trans	-74	154.8	-176.4	32	-37.6	0	0	0	112.7	E204 E205 H218 Y221	P202-E204 VanDerWaalsContact CB-OE1 3.28Å; P202-E204 WeakPolarHBondContact CB-OE1 3.28Å; P202-E204 PolarHBondContact O-N 3.37Å; P202-E204 VanDerWaalsContact O-N 3.12Å; P202-E205 HydrophobicContact CG-CG 4.04Å; P202-E205 PolarHBondContact O-N 3.03Å; P202-E205 VanDerWaalsContact O-N 3.14Å; P202-H218 WeakPolarHBondContact CD-NE2 3.47Å; P202-Y221 HydrophobicContact CB-CD1 3.83Å; P202-Y221 HydrophobicContact CB-CD2 3.89Å; P202-Y221 HydrophobicContact CB-CE1 4.41Å; P202-Y221 HydrophobicContact CB-CE2 4.44Å; P202-Y221 HydrophobicContact CB-CG 3.58Å
203	P	89.8	Confident	67.9	Low	8 Å²	8	63.9 Å²	63.9	5%	0.052	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57.6	-30.1	-172.8	18.9	-31	0	0	0	114.9	V250 L251	P203-V250 HydrophobicContact CB-CG1 4.04Å; P203-V250 HydrophobicContact CG-CG1 4.42Å; P203-L251 HydrophobicContact CB-CD2 4.16Å; P203-L251 WeakPolarHBondContact O-CD2 3.41Å
204	E	86.3	Confident	68.3	Low	28 Å²	28	62.9 Å²	62.9	13%	0.131	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-72.3	-23.5	-179.8	62.9	-82.1	-173.6	0	0	114.8	P202 Y206 D207 K210 P285 R288	P202-E204 VanDerWaalsContact CB-OE1 3.28Å; P202-E204 WeakPolarHBondContact CB-OE1 3.28Å; P202-E204 PolarHBondContact O-N 3.37Å; P202-E204 VanDerWaalsContact O-N 3.12Å; E204-Y206 VanDerWaalsContact C-N 3.28Å; E204-Y206 PolarHBondContact O-N 3.17Å; E204-D207 PolarHBondContact O-N 3.18Å; E204-K210 HydrophobicContact CB-CD 3.95Å; E204-P285 HydrophobicContact CG-CG 4.22Å; E204-R288 IonicContact OE1-CZ 3.8Å; E204-R288 IonicContact OE1-NH1 3.37Å; E204-R288 PolarHBondContact OE1-NH1 3.47Å; E204-R288 IonicContact OE1-NH2 3.1Å; E204-R288 PolarHBondContact OE1-NH2 3.27Å; E204-R288 VanDerWaalsContact OE1-NH2 3.09Å; E204-R288 IonicContact OE2-CZ 3.96Å; E204-R288 IonicContact OE2-NH1 3.34Å; E204-R288 IonicContact OE2-NH2 3.9Å; E204-R288 PolarHBondContact OE2-NH2 3.44Å
205	E	82.2	Confident	69.5	Low	42 Å²	42	59.5 Å²	59.5	20%	0.196	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-75.3	-18.9	178.3	-77.5	-70.8	142.3	0	0	112.9	M201 P202 D207 R212	M201-E205 HydrophobicContact CG-CB 3.8Å; M201-E205 HydrophobicContact SD-CB 3.97Å; P202-E205 HydrophobicContact CG-CG 4.04Å; P202-E205 PolarHBondContact O-N 3.03Å; P202-E205 VanDerWaalsContact O-N 3.14Å; E205-D207 VanDerWaalsContact C-N 3.33Å; E205-R212 PolarHBondContact O-NH2 3.43Å; E205-R212 VanDerWaalsContact O-NH2 3.1Å; E205-R212 IonicContact OE2-CZ 3.09Å; E205-R212 IonicContact OE2-NE 3.66Å; E205-R212 IonicContact OE2-NH1 3.79Å; E205-R212 PolarHBondContact OE2-NH1 3.16Å
206	Y	77.3	Confident	71	Confident	33 Å²	33	59.6 Å²	59.6	13%	0.129	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-76.7	-17.5	172.4	-52.2	-46.3	0	0	0	113.7	V198 M201 E204 P208 M247 V250 L251	V198-Y206 HydrophobicContact CB-CE1 4.36Å; V198-Y206 HydrophobicContact CG1-CE1 4.28Å; V198-Y206 PolarHBondContact O-OH 2.88Å; M201-Y206 HydrophobicContact CB-CE1 4.06Å; M201-Y206 HydrophobicContact CG-CD1 4.43Å; M201-Y206 HydrophobicContact CG-CE1 3.78Å; M201-Y206 PolarHBondContact O-OH 3.27Å; M201-Y206 HydrophobicContact SD-CD1 3.92Å; M201-Y206 HydrophobicContact SD-CE1 3.54Å; M201-Y206 VanDerWaalsContact SD-CE1 3.54Å; E204-Y206 VanDerWaalsContact C-N 3.28Å; E204-Y206 PolarHBondContact O-N 3.17Å; Y206-P208 VanDerWaalsContact O-CD 3.25Å; Y206-P208 WeakPolarHBondContact O-CD 3.36Å; Y206-M247 HydrophobicContact CD1-CE 3.51Å; Y206-M247 HydrophobicContact CD1-CG 4.17Å; Y206-M247 HydrophobicContact CE1-CB 4.49Å; Y206-M247 HydrophobicContact CE1-CE 3.92Å; Y206-M247 HydrophobicContact CE1-CG 3.75Å; Y206-M247 HydrophobicContact CE1-SD 4.47Å; Y206-M247 HydrophobicContact CE2-CB 4.43Å; Y206-M247 HydrophobicContact CE2-CG 4.43Å; Y206-M247 HydrophobicContact CG-CE 4.14Å; Y206-V250 HydrophobicContact CE2-CB 4.35Å; Y206-V250 HydrophobicContact CE2-CG1 3.93Å; Y206-L251 HydrophobicContact CD2-CD1 4.42Å; Y206-L251 HydrophobicContact CD2-CD2 4.19Å; Y206-L251 HydrophobicContact CD2-CG 4.01Å
207	D	69.5	Low	72.8	Confident	43 Å²	43	60.2 Å²	60.2	23%	0.23	32%	0.316	C	S	.	.			trans	-101	100.2	-174.3	-176.2	-11.2	0	0	0	110.3	E204 E205 S209 K210	E204-D207 PolarHBondContact O-N 3.18Å; E205-D207 VanDerWaalsContact C-N 3.33Å; D207-S209 PolarHBondContact O-N 2.98Å; D207-S209 VanDerWaalsContact O-N 3.09Å; D207-S209 VanDerWaalsContact OD1-CB 3.32Å; D207-S209 WeakPolarHBondContact OD1-CB 3.26Å; D207-S209 PolarHBondContact OD1-N 2.88Å; D207-S209 PolarHBondContact OD1-OG 3.32Å; D207-S209 PolarHBondContact OD2-OG 2.9Å; D207-K210 HydrophobicContact CB-CD 4Å; D207-K210 HydrophobicContact CB-CG 4.2Å; D207-K210 PolarHBondContact O-N 3Å; D207-K210 VanDerWaalsContact O-N 3.16Å; D207-K210 WeakPolarHBondContact OD2-CD 3.42Å; D207-K210 WeakPolarHBondContact OD2-CE 3.49Å; D207-K210 IonicContact OD2-NZ 3.34Å
208	P	57.8	Low	74	Confident	118 Å²	118	59.7 Å²	59.7	77%	0.766	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.3	-178.4	30.4	-36.7	0	0	0	113.6	Y206	Y206-P208 VanDerWaalsContact O-CD 3.25Å; Y206-P208 WeakPolarHBondContact O-CD 3.36Å
209	S	57	Low	74.5	Confident	98 Å²	98	59.5 Å²	59.5	69%	0.685	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.1	174.7	77.7	0	0	0	0	113.3	D207	D207-S209 PolarHBondContact O-N 2.98Å; D207-S209 VanDerWaalsContact O-N 3.09Å; D207-S209 VanDerWaalsContact OD1-CB 3.32Å; D207-S209 WeakPolarHBondContact OD1-CB 3.26Å; D207-S209 PolarHBondContact OD1-N 2.88Å; D207-S209 PolarHBondContact OD1-OG 3.32Å; D207-S209 PolarHBondContact OD2-OG 2.9Å
210	K	57.4	Low	74.7	Confident	105 Å²	105	58.8 Å²	58.8	46%	0.457	31%	0.307	S	S	.	.	S	Bend	trans	-80.2	136.3	179.1	-72.5	177	-176.7	165.8	0	111	E204 D207 R212	E204-K210 HydrophobicContact CB-CD 3.95Å; D207-K210 HydrophobicContact CB-CD 4Å; D207-K210 HydrophobicContact CB-CG 4.2Å; D207-K210 PolarHBondContact O-N 3Å; D207-K210 VanDerWaalsContact O-N 3.16Å; D207-K210 WeakPolarHBondContact OD2-CD 3.42Å; D207-K210 WeakPolarHBondContact OD2-CE 3.49Å; D207-K210 IonicContact OD2-NZ 3.34Å; K210-R212 PolarHBondContact O-N 3.46Å; K210-R212 VanDerWaalsContact O-N 3.17Å
211	T	49.5	Very low	74.9	Confident	120 Å²	120	58.2 Å²	58.2	74%	0.736	31%	0.305	S	S	*	.			trans	-71.3	113.5	-178.9	-56	0	0	0	0	109.5	R213	T211-R213 HydrophobicContact CG2-CG 4Å; T211-R213 PolarHBondContact O-N 2.96Å
212	R	56	Low	75.2	Confident	128 Å²	128	56.7 Å²	56.7	48%	0.483	30%	0.297	S	S	.	.			trans	-70	61	174	-58.5	-173.7	-167.6	-135	-7.7	112.4	E205 K210 A214	E205-R212 PolarHBondContact O-NH2 3.43Å; E205-R212 VanDerWaalsContact O-NH2 3.1Å; E205-R212 IonicContact OE2-CZ 3.09Å; E205-R212 IonicContact OE2-NE 3.66Å; E205-R212 IonicContact OE2-NH1 3.79Å; E205-R212 PolarHBondContact OE2-NH1 3.16Å; K210-R212 PolarHBondContact O-N 3.46Å; K210-R212 VanDerWaalsContact O-N 3.17Å; R212-A214 PolarHBondContact O-N 2.81Å
213	R	47.4	Very low	75.5	Confident	215 Å²	215	56.7 Å²	56.7	81%	0.811	30%	0.297	S	S	*	.			trans	-64.5	114.8	159.6	-71.4	-174.6	175	-179.5	-1.2	105.5	T211 D215	T211-R213 HydrophobicContact CG2-CG 4Å; T211-R213 PolarHBondContact O-N 2.96Å; R213-D215 PolarHBondContact O-N 3.23Å
214	A	51.5	Low	75.9	Confident	74 Å²	74	56.3 Å²	56.3	61%	0.612	30%	0.295	S	S	*	.			trans	-58.1	107.6	-167.8	0	0	0	0	0	110.7	L151 R212	L151-A214 HydrophobicContact CD1-CB 4.2Å; R212-A214 PolarHBondContact O-N 2.81Å
215	D	68.6	Low	76.5	Confident	53 Å²	53	55 Å²	55	28%	0.283	29%	0.289	S	S	.	.			trans	-99.2	121.9	-161.6	-163	-7	0	0	0	112	R213 K217 H218 P285	R213-D215 PolarHBondContact O-N 3.23Å; D215-K217 PolarHBondContact O-N 3.16Å; D215-K217 VanDerWaalsContact O-N 3.11Å; D215-K217 WeakPolarHBondContact OD1-CB 3.37Å; D215-K217 WeakPolarHBondContact OD1-CG 3.15Å; D215-K217 PolarHBondContact OD1-N 2.95Å; D215-H218 WeakPolarHBondContact O-CB 3.4Å; D215-H218 PolarHBondContact O-N 3.4Å; D215-P285 VanDerWaalsContact OD2-CB 3.23Å; D215-P285 WeakPolarHBondContact OD2-CB 3.25Å
216	V	73.4	Confident	77.3	Confident	70 Å²	70	53 Å²	53	42%	0.424	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.3	171.1	-170.7	0	0	0	0	110.7	H144 L151 H218	H144-V216 PolarHBondContact CE1-O 3.36Å; H144-V216 VanDerWaalsContact CE1-O 3.32Å; H144-V216 WeakPolarHBondContact ND1-CG1 3.33Å; L151-V216 HydrophobicContact CD2-CG2 4.3Å; V216-H218 VanDerWaalsContact C-N 3.29Å; V216-H218 PolarHBondContact O-N 3.49Å
217	K	90.1	Very high	78.3	Confident	41 Å²	41	51.5 Å²	51.5	18%	0.178	27%	0.274	C	S	.	.	H	α-helix	trans	-76.6	-5	179.8	-48.4	-62.2	-162.6	88.9	0	114.4	D215 Y221 P285 D286 R288	D215-K217 PolarHBondContact O-N 3.16Å; D215-K217 VanDerWaalsContact O-N 3.11Å; D215-K217 WeakPolarHBondContact OD1-CB 3.37Å; D215-K217 WeakPolarHBondContact OD1-CG 3.15Å; D215-K217 PolarHBondContact OD1-N 2.95Å; K217-Y221 PolarHBondContact O-N 2.81Å; K217-P285 HydrophobicContact CB-CB 3.97Å; K217-P285 HydrophobicContact CG-CB 4.34Å; K217-P285 WeakPolarHBondContact CG-O 3.36Å; K217-P285 PolarHBondContact NZ-O 2.84Å; K217-D286 PolarHBondContact NZ-O 3.09Å; K217-R288 HydrophobicContact CB-CB 4.39Å; K217-R288 HydrophobicContact CD-CB 4.25Å; K217-R288 WeakPolarHBondContact CE-O 3.34Å; K217-R288 PolarHBondContact NZ-O 3.33Å; K217-R288 WeakPolarHBondContact O-CD 3.41Å; K217-R288 PolarHBondContact O-NH1 3.42Å
218	H	90.9	Very high	79.7	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.046	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-56.9	171.7	178	-59.4	0	0	0	110.7	P202 D215 V216 M220 Y221 S222	P202-H218 WeakPolarHBondContact CD-NE2 3.47Å; D215-H218 WeakPolarHBondContact O-CB 3.4Å; D215-H218 PolarHBondContact O-N 3.4Å; V216-H218 VanDerWaalsContact C-N 3.29Å; V216-H218 PolarHBondContact O-N 3.49Å; H218-M220 PolarHBondContact O-N 3.08Å; H218-M220 VanDerWaalsContact O-N 3.15Å; H218-Y221 WeakPolarHBondContact O-CB 3.38Å; H218-Y221 PolarHBondContact O-N 3.21Å; H218-S222 PolarHBondContact CE1-OG 3.28Å; H218-S222 PolarHBondContact O-N 3.38Å; H218-S222 PolarHBondContact O-OG 3.39Å
219	D	93.6	Very high	81.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-26.5	-174.8	-63.3	-25.5	0	0	0	111.8	V140 H144 H152 H153 S222 Y223 F291	V140-D219 HydrophobicContact CG1-CB 3.96Å; H144-D219 IonicContact CD2-OD2 3.54Å; H144-D219 IonicContact CE1-OD2 3.77Å; H144-D219 IonicContact NE2-OD2 2.77Å; H144-D219 PolarHBondContact NE2-OD2 3.22Å; H152-D219 PolarHBondContact N-OD2 3.44Å; H153-D219 WeakPolarHBondContact CA-OD1 3.33Å; H153-D219 IonicContact CD2-OD1 3.33Å; H153-D219 PolarHBondContact N-OD1 3.41Å; D219-S222 PolarHBondContact O-N 3.2Å; D219-Y223 VanDerWaalsContact O-CB 3.27Å; D219-Y223 WeakPolarHBondContact O-CB 3.5Å; D219-Y223 PolarHBondContact O-N 2.86Å; D219-F291 HydrophobicContact CB-CE2 3.95Å; D219-F291 HydrophobicContact CB-CZ 4.28Å
220	M	96.5	Very high	83.6	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-41.6	173.6	-173.5	51.6	61.4	0	0	113	H218 Y223 A224 R288 P289 F291 C294	H218-M220 PolarHBondContact O-N 3.08Å; H218-M220 VanDerWaalsContact O-N 3.15Å; M220-Y223 PolarHBondContact O-N 3.48Å; M220-Y223 HydrophobicContact SD-CD1 3.98Å; M220-A224 WeakPolarHBondContact O-CB 3.39Å; M220-A224 PolarHBondContact O-N 3.49Å; M220-R288 HydrophobicContact CB-CB 4.47Å; M220-R288 HydrophobicContact CG-CB 4.06Å; M220-P289 WeakPolarHBondContact CE-O 3.42Å; M220-P289 HydrophobicContact CG-CG 4.17Å; M220-P289 WeakPolarHBondContact CG-O 3.39Å; M220-P289 HydrophobicContact SD-CG 4.02Å; M220-F291 HydrophobicContact CB-CE2 4.32Å; M220-F291 HydrophobicContact CE-CB 4.26Å; M220-F291 HydrophobicContact CE-CD1 3.71Å; M220-F291 HydrophobicContact CE-CD2 3.5Å; M220-F291 HydrophobicContact CE-CE1 3.81Å; M220-F291 HydrophobicContact CE-CE2 3.59Å; M220-F291 HydrophobicContact CE-CG 3.56Å; M220-F291 HydrophobicContact CE-CZ 3.75Å; M220-F291 HydrophobicContact SD-CZ 4.45Å; M220-C294 HydrophobicContact CE-CB 4.44Å; M220-C294 WeakPolarHBondContact CE-SG 3.47Å
221	Y	96.4	Very high	85.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-46.4	175	-179.6	-79.3	0	0	0	110.7	M201 P202 K217 H218 Y223 A224 I225 V250 G280 W281	M201-Y221 VanDerWaalsContact O-CE1 3.31Å; M201-Y221 WeakPolarHBondContact O-CE1 3.5Å; P202-Y221 HydrophobicContact CB-CD1 3.83Å; P202-Y221 HydrophobicContact CB-CD2 3.89Å; P202-Y221 HydrophobicContact CB-CE1 4.41Å; P202-Y221 HydrophobicContact CB-CE2 4.44Å; P202-Y221 HydrophobicContact CB-CG 3.58Å; K217-Y221 PolarHBondContact O-N 2.81Å; H218-Y221 WeakPolarHBondContact O-CB 3.38Å; H218-Y221 PolarHBondContact O-N 3.21Å; Y221-Y223 VanDerWaalsContact C-N 3.32Å; Y221-Y223 PolarHBondContact O-N 3.4Å; Y221-A224 WeakPolarHBondContact O-CB 3.32Å; Y221-A224 PolarHBondContact O-N 2.94Å; Y221-I225 HydrophobicContact CD1-CG1 4.34Å; Y221-I225 HydrophobicContact CE1-CD1 4.36Å; Y221-I225 HydrophobicContact CE1-CG1 3.93Å; Y221-I225 PolarHBondContact O-N 2.86Å; Y221-V250 VanDerWaalsContact OH-CG1 3.28Å; Y221-V250 WeakPolarHBondContact OH-CG1 3.27Å; Y221-G280 WeakPolarHBondContact CA-O 3.5Å; Y221-W281 HydrophobicContact CD2-CB 3.85Å; Y221-W281 HydrophobicContact CE2-CB 3.83Å; Y221-W281 WeakPolarHBondContact CE2-O 3.03Å
222	S	96.3	Very high	87.8	Confident	1 Å²	1	30 Å²	30	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-60.3	-42.3	177	-53.3	0	0	0	0	111.7	L155 Y200 H218 D219 I225 I226	L155-S222 WeakPolarHBondContact O-CB 3.21Å; Y200-S222 WeakPolarHBondContact O-CA 3.42Å; Y200-S222 WeakPolarHBondContact O-CB 3.31Å; Y200-S222 PolarHBondContact O-OG 2.82Å; H218-S222 PolarHBondContact CE1-OG 3.28Å; H218-S222 PolarHBondContact O-N 3.38Å; H218-S222 PolarHBondContact O-OG 3.39Å; D219-S222 PolarHBondContact O-N 3.2Å; S222-I225 PolarHBondContact O-N 2.96Å; S222-I226 WeakPolarHBondContact O-CG1 3.35Å; S222-I226 PolarHBondContact O-N 2.99Å
223	Y	98.2	Very high	89.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-38.4	175.4	176.8	-112.1	0	0	0	113	L133 I136 A137 D219 M220 Y221 I225 I226 M227 F291 C294 L298	L133-Y223 HydrophobicContact CD2-CE2 4.28Å; L133-Y223 PolarHBondContact O-OH 3.17Å; L133-Y223 VanDerWaalsContact O-OH 3.07Å; I136-Y223 HydrophobicContact CB-CD2 4.34Å; I136-Y223 HydrophobicContact CB-CE2 4.01Å; I136-Y223 HydrophobicContact CG2-CD2 3.64Å; I136-Y223 HydrophobicContact CG2-CE2 3.84Å; A137-Y223 HydrophobicContact CB-CE2 4.47Å; D219-Y223 VanDerWaalsContact O-CB 3.27Å; D219-Y223 WeakPolarHBondContact O-CB 3.5Å; D219-Y223 PolarHBondContact O-N 2.86Å; M220-Y223 PolarHBondContact O-N 3.48Å; M220-Y223 HydrophobicContact SD-CD1 3.98Å; Y221-Y223 VanDerWaalsContact C-N 3.32Å; Y221-Y223 PolarHBondContact O-N 3.4Å; Y223-I225 VanDerWaalsContact C-N 3.34Å; Y223-I225 PolarHBondContact O-N 2.94Å; Y223-I226 CarbonylContact O-C 3.05Å; Y223-I226 WeakPolarHBondContact O-CB 3.24Å; Y223-I226 PolarHBondContact O-N 3.38Å; Y223-I226 VanDerWaalsContact O-N 3.16Å; Y223-M227 HydrophobicContact CD1-CG 4.19Å; Y223-M227 HydrophobicContact CD1-SD 4.04Å; Y223-M227 HydrophobicContact CE1-CG 3.72Å; Y223-M227 HydrophobicContact CE1-SD 3.44Å; Y223-M227 WeakPolarHBondContact CE1-SD 3.21Å; Y223-M227 HydrophobicContact CE2-CG 4.15Å; Y223-M227 WeakPolarHBondContact O-CG 3.35Å; Y223-M227 PolarHBondContact O-N 3.37Å; Y223-F291 AromaticContact CD1-CE1 3.73Å; Y223-F291 HydrophobicContact CD1-CE1 3.73Å; Y223-F291 HydrophobicContact CD1-CZ 4.35Å; Y223-F291 HydrophobicContact CD2-CE1 4.19Å; Y223-F291 HydrophobicContact CE1-CE1 4.36Å; Y223-F291 AromaticContact CG-CE1 3.63Å; Y223-F291 HydrophobicContact CG-CE1 3.63Å; Y223-F291 HydrophobicContact CG-CZ 4.07Å; Y223-C294 HydrophobicContact CE1-CB 4.5Å; Y223-L298 WeakPolarHBondContact OH-CD1 3.49Å
224	A	98.5	Very high	92.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-36.4	176.6	0	0	0	0	0	113.3	M220 Y221 M227 W228 M277 W281	M220-A224 WeakPolarHBondContact O-CB 3.39Å; M220-A224 PolarHBondContact O-N 3.49Å; Y221-A224 WeakPolarHBondContact O-CB 3.32Å; Y221-A224 PolarHBondContact O-N 2.94Å; A224-M227 WeakPolarHBondContact O-CB 3.27Å; A224-M227 PolarHBondContact O-N 3.37Å; A224-W228 PolarHBondContact O-N 2.75Å; A224-M277 WeakPolarHBondContact CB-O 3.21Å; A224-W281 HydrophobicContact CB-CB 3.91Å; A224-W281 HydrophobicContact CB-CD2 4.49Å; A224-W281 HydrophobicContact CB-CE3 4.06Å; A224-W281 HydrophobicContact CB-CG 4.48Å
225	I	98.4	Very high	94.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.1	-42.8	172.3	-60.6	-69.1	0	0	0	110.4	I199 Y200 Y221 S222 Y223 M227 W228 E229 P236 P256 W281	I199-I225 HydrophobicContact CG2-CG2 3.91Å; Y200-I225 HydrophobicContact CD1-CB 4.09Å; Y200-I225 HydrophobicContact CD1-CG2 3.72Å; Y200-I225 HydrophobicContact CE1-CG2 3.92Å; Y221-I225 HydrophobicContact CD1-CG1 4.34Å; Y221-I225 HydrophobicContact CE1-CD1 4.36Å; Y221-I225 HydrophobicContact CE1-CG1 3.93Å; Y221-I225 PolarHBondContact O-N 2.86Å; S222-I225 PolarHBondContact O-N 2.96Å; Y223-I225 VanDerWaalsContact C-N 3.34Å; Y223-I225 PolarHBondContact O-N 2.94Å; I225-M227 VanDerWaalsContact C-N 3.35Å; I225-M227 PolarHBondContact O-N 2.77Å; I225-W228 PolarHBondContact O-N 3.13Å; I225-E229 WeakPolarHBondContact O-CB 3.5Å; I225-E229 PolarHBondContact O-N 2.82Å; I225-P236 HydrophobicContact CG2-CB 4.13Å; I225-P236 HydrophobicContact CG2-CG 3.9Å; I225-P256 HydrophobicContact CD1-CG 3.9Å; I225-W281 HydrophobicContact CD1-CE3 3.76Å; I225-W281 HydrophobicContact CD1-CZ3 4.18Å; I225-W281 HydrophobicContact CG1-CE3 4.47Å
226	I	98.6	Very high	95.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.7	-38.6	174.9	-63.2	165.9	0	0	0	111.6	L111 L133 I136 L155 T157 Y200 S222 Y223 W228 E229 V230	L111-I226 HydrophobicContact CD2-CG2 4.18Å; L133-I226 HydrophobicContact CD2-CG2 4.46Å; I136-I226 HydrophobicContact CD1-CG2 4.01Å; L155-I226 HydrophobicContact CD2-CD1 3.93Å; L155-I226 HydrophobicContact CG-CD1 3.74Å; T157-I226 HydrophobicContact CG2-CB 4.45Å; T157-I226 HydrophobicContact CG2-CG1 4.09Å; T157-I226 HydrophobicContact CG2-CG2 3.94Å; Y200-I226 HydrophobicContact CD1-CG1 3.97Å; Y200-I226 HydrophobicContact CE1-CG1 3.94Å; S222-I226 WeakPolarHBondContact O-CG1 3.35Å; S222-I226 PolarHBondContact O-N 2.99Å; Y223-I226 CarbonylContact O-C 3.05Å; Y223-I226 WeakPolarHBondContact O-CB 3.24Å; Y223-I226 PolarHBondContact O-N 3.38Å; Y223-I226 VanDerWaalsContact O-N 3.16Å; I226-W228 VanDerWaalsContact C-N 3.33Å; I226-W228 PolarHBondContact O-N 2.98Å; I226-E229 PolarHBondContact O-N 3.46Å; I226-V230 HydrophobicContact CG2-CG2 4.15Å; I226-V230 WeakPolarHBondContact O-CB 3.46Å; I226-V230 VanDerWaalsContact O-CG2 3.3Å; I226-V230 WeakPolarHBondContact O-CG2 3.31Å; I226-V230 PolarHBondContact O-N 3.18Å
227	M	98.7	Very high	96.3	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-56.6	-47.6	174	-76.4	-174.7	64.5	0	0	111.4	L133 Y223 A224 I225 L231 L273 L276 M277	L133-M227 HydrophobicContact CD1-CB 4.48Å; L133-M227 HydrophobicContact CD1-CG 4.24Å; L133-M227 HydrophobicContact CD2-CB 4.44Å; L133-M227 HydrophobicContact CD2-CG 4.03Å; Y223-M227 HydrophobicContact CD1-CG 4.19Å; Y223-M227 HydrophobicContact CD1-SD 4.04Å; Y223-M227 HydrophobicContact CE1-CG 3.72Å; Y223-M227 HydrophobicContact CE1-SD 3.44Å; Y223-M227 WeakPolarHBondContact CE1-SD 3.21Å; Y223-M227 HydrophobicContact CE2-CG 4.15Å; Y223-M227 WeakPolarHBondContact O-CG 3.35Å; Y223-M227 PolarHBondContact O-N 3.37Å; A224-M227 WeakPolarHBondContact O-CB 3.27Å; A224-M227 PolarHBondContact O-N 3.37Å; I225-M227 VanDerWaalsContact C-N 3.35Å; I225-M227 PolarHBondContact O-N 2.77Å; M227-L231 WeakPolarHBondContact O-CB 3.46Å; M227-L231 WeakPolarHBondContact O-CD1 3.28Å; M227-L231 WeakPolarHBondContact O-CG 3.3Å; M227-L231 PolarHBondContact O-N 3.42Å; M227-L273 HydrophobicContact CE-CD2 3.92Å; M227-L276 HydrophobicContact CE-CB 4.08Å; M227-L276 HydrophobicContact CE-CD2 3.96Å; M227-L276 HydrophobicContact CE-CG 4.06Å; M227-L276 HydrophobicContact SD-CD2 4.35Å; M227-L276 HydrophobicContact SD-CG 4.23Å; M227-M277 HydrophobicContact CB-CB 4.17Å; M227-M277 HydrophobicContact CE-CB 4.32Å; M227-M277 HydrophobicContact SD-CB 4.37Å
228	W	98.6	Very high	96.2	Very high	6 Å²	6	15.9 Å²	15.9	2%	0.023	8%	0.077	C	C	.	.	H	α-helix	trans	-62.5	-47.9	177	-179.7	92.5	0	0	0	111.7	A224 I225 I226 V230 L231 S232 Q234 P236 P256 D257 M277 W281	A224-W228 PolarHBondContact O-N 2.75Å; I225-W228 PolarHBondContact O-N 3.13Å; I226-W228 VanDerWaalsContact C-N 3.33Å; I226-W228 PolarHBondContact O-N 2.98Å; W228-V230 VanDerWaalsContact C-N 3.35Å; W228-V230 PolarHBondContact O-N 2.85Å; W228-L231 PolarHBondContact O-N 3.03Å; W228-L231 VanDerWaalsContact O-N 3.11Å; W228-S232 WeakPolarHBondContact CZ3-OG 3.49Å; W228-S232 WeakPolarHBondContact O-CB 3.5Å; W228-S232 PolarHBondContact O-N 3.36Å; W228-S232 PolarHBondContact O-OG 3.21Å; W228-Q234 HydrophobicContact CH2-CB 3.64Å; W228-Q234 HydrophobicContact CZ2-CB 4.49Å; W228-Q234 HydrophobicContact CZ3-CB 4.08Å; W228-Q234 WeakPolarHBondContact CZ3-O 3.45Å; W228-P236 HydrophobicContact CE3-CB 4.11Å; W228-P236 HydrophobicContact CE3-CG 3.98Å; W228-P236 HydrophobicContact CZ3-CB 3.9Å; W228-P236 HydrophobicContact CZ3-CG 3.89Å; W228-P256 HydrophobicContact CD2-CB 3.42Å; W228-P256 VanDerWaalsContact CD2-CB 3.42Å; W228-P256 HydrophobicContact CD2-CG 4.2Å; W228-P256 HydrophobicContact CE3-CB 3.88Å; W228-P256 HydrophobicContact CE3-CG 4.38Å; W228-P256 HydrophobicContact CG-CB 3.78Å; W228-P256 HydrophobicContact CG-CG 4.4Å; W228-P256 HydrophobicContact CH2-CB 4.21Å; W228-P256 HydrophobicContact CZ2-CB 3.78Å; W228-P256 HydrophobicContact CZ3-CB 4.26Å; W228-D257 PolarHBondContact NE1-O 2.82Å; W228-M277 HydrophobicContact CB-SD 3.98Å; W228-M277 HydrophobicContact CG-SD 4.4Å; W228-W281 HydrophobicContact CB-CH2 4.03Å; W228-W281 HydrophobicContact CB-CZ3 3.69Å; W228-W281 AromaticContact CD1-CH2 3.86Å; W228-W281 HydrophobicContact CG-CH2 4.11Å; W228-W281 HydrophobicContact CG-CZ3 4.18Å
229	E	98.3	Very high	96.1	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-61.3	-39.3	-178	-166.1	-173.9	155.3	0	0	112.7	L115 H116 T157 Y200 I225 I226 R233 P236	L115-E229 HydrophobicContact CD1-CB 4.42Å; L115-E229 HydrophobicContact CD1-CG 3.9Å; H116-E229 IonicContact CD2-OE1 2.72Å; H116-E229 IonicContact CE1-OE1 3.55Å; H116-E229 IonicContact NE2-OE1 2.84Å; H116-E229 PolarHBondContact NE2-OE1 3.37Å; T157-E229 WeakPolarHBondContact CB-OE1 3.42Å; T157-E229 HydrophobicContact CG2-CG 4.4Å; T157-E229 VanDerWaalsContact CG2-OE1 3.25Å; T157-E229 WeakPolarHBondContact CG2-OE1 3.39Å; T157-E229 WeakPolarHBondContact CG2-OE2 3.41Å; T157-E229 PolarHBondContact OG1-OE1 3.15Å; T157-E229 PolarHBondContact OG1-OE2 3.14Å; Y200-E229 VanDerWaalsContact CE1-OE2 3.3Å; Y200-E229 WeakPolarHBondContact CE1-OE2 3.45Å; Y200-E229 PolarHBondContact OH-OE2 3.19Å; I225-E229 WeakPolarHBondContact O-CB 3.5Å; I225-E229 PolarHBondContact O-N 2.82Å; I226-E229 PolarHBondContact O-N 3.46Å; E229-R233 VanDerWaalsContact O-CA 3.24Å; E229-R233 WeakPolarHBondContact O-CA 3.25Å; E229-R233 PolarHBondContact O-N 3.37Å; E229-P236 HydrophobicContact CB-CG 4.2Å; E229-P236 HydrophobicContact CG-CG 4.13Å
230	V	98.6	Very high	95.8	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-66.3	-39.1	174.6	169	0	0	0	0	111.8	L111 L115 R129 L133 I226 W228	L111-V230 HydrophobicContact CD1-CG2 4.38Å; L111-V230 HydrophobicContact CD2-CG2 3.87Å; L111-V230 HydrophobicContact CG-CG2 4.44Å; L115-V230 HydrophobicContact CD1-CG2 3.85Å; L115-V230 HydrophobicContact CD2-CB 4.41Å; L115-V230 HydrophobicContact CD2-CG2 4.22Å; R129-V230 HydrophobicContact CB-CG1 3.76Å; R129-V230 WeakPolarHBondContact CD-O 3.35Å; R129-V230 HydrophobicContact CG-CG1 4.22Å; R129-V230 PolarHBondContact NH1-O 3.33Å; L133-V230 HydrophobicContact CD1-CB 4.48Å; L133-V230 HydrophobicContact CD1-CG1 4.19Å; L133-V230 HydrophobicContact CD2-CB 3.94Å; L133-V230 HydrophobicContact CD2-CG1 4.14Å; L133-V230 HydrophobicContact CD2-CG2 3.85Å; L133-V230 HydrophobicContact CG-CB 4.33Å; L133-V230 HydrophobicContact CG-CG1 4Å; I226-V230 HydrophobicContact CG2-CG2 4.15Å; I226-V230 WeakPolarHBondContact O-CB 3.46Å; I226-V230 VanDerWaalsContact O-CG2 3.3Å; I226-V230 WeakPolarHBondContact O-CG2 3.31Å; I226-V230 PolarHBondContact O-N 3.18Å; W228-V230 VanDerWaalsContact C-N 3.35Å; W228-V230 PolarHBondContact O-N 2.85Å
231	L	98.3	Very high	95.3	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-77.7	-42.4	-177.1	-66.7	170.6	0	0	0	112	W126 R129 L133 M227 W228 L263 I267 L273 M277	W126-L231 HydrophobicContact CE3-CD2 4.46Å; W126-L231 HydrophobicContact CZ3-CD2 3.92Å; R129-L231 PolarHBondContact NH1-O 3.3Å; L133-L231 HydrophobicContact CD1-CG 4.42Å; M227-L231 WeakPolarHBondContact O-CB 3.46Å; M227-L231 WeakPolarHBondContact O-CD1 3.28Å; M227-L231 WeakPolarHBondContact O-CG 3.3Å; M227-L231 PolarHBondContact O-N 3.42Å; W228-L231 PolarHBondContact O-N 3.03Å; W228-L231 VanDerWaalsContact O-N 3.11Å; L231-L263 HydrophobicContact CB-CD2 3.8Å; L231-I267 HydrophobicContact CB-CD1 4.32Å; L231-I267 HydrophobicContact CD2-CG2 4.08Å; L231-L273 HydrophobicContact CD1-CB 4.01Å; L231-L273 HydrophobicContact CD1-CD1 4.07Å; L231-L273 HydrophobicContact CD1-CG 4.45Å; L231-L273 HydrophobicContact CD2-CD1 4.08Å; L231-M277 HydrophobicContact CD1-CE 3.57Å
232	S	97.5	Very high	94.8	Very high	19 Å²	19	31.4 Å²	31.4	13%	0.133	16%	0.162	C	C	.	.	H	α-helix	trans	-78.2	-34.4	178.2	68.1	0	0	0	0	113.5	W228 Q234 S262	W228-S232 WeakPolarHBondContact CZ3-OG 3.49Å; W228-S232 WeakPolarHBondContact O-CB 3.5Å; W228-S232 PolarHBondContact O-N 3.36Å; W228-S232 PolarHBondContact O-OG 3.21Å; S232-Q234 PolarHBondContact O-N 2.81Å; S232-Q234 PolarHBondContact OG-N 2.81Å; S232-S262 WeakPolarHBondContact CA-O 3.47Å; S232-S262 WeakPolarHBondContact CB-O 3.48Å
233	R	97.3	Very high	94.3	Very high	20 Å²	20	32.6 Å²	32.6	8%	0.075	17%	0.17	C	C	.	.			trans	50.9	38.3	-159.7	-58.7	-175.2	70.2	-174.4	9.7	112.2	L114 L115 K118 Y121 E229	L114-R233 PolarHBondContact O-NH2 2.81Å; L115-R233 HydrophobicContact CD2-CG 4.1Å; L115-R233 PolarHBondContact O-NE 2.85Å; L115-R233 PolarHBondContact O-NH2 2.85Å; K118-R233 WeakPolarHBondContact CE-O 3.39Å; K118-R233 PolarHBondContact NZ-O 2.79Å; Y121-R233 VanDerWaalsContact O-CZ 3.29Å; Y121-R233 PolarHBondContact O-NH1 3.48Å; Y121-R233 PolarHBondContact O-NH2 2.88Å; E229-R233 VanDerWaalsContact O-CA 3.24Å; E229-R233 WeakPolarHBondContact O-CA 3.25Å; E229-R233 PolarHBondContact O-N 3.37Å
234	Q	95.9	Very high	93.8	Very high	58 Å²	58	37.2 Å²	37.2	27%	0.271	19%	0.192	S	C	.	.	S	Bend	trans	-115	155.1	173.9	-63.8	174.7	2.9	0	0	109	W228 S232 D261 S262	W228-Q234 HydrophobicContact CH2-CB 3.64Å; W228-Q234 HydrophobicContact CZ2-CB 4.49Å; W228-Q234 HydrophobicContact CZ3-CB 4.08Å; W228-Q234 WeakPolarHBondContact CZ3-O 3.45Å; S232-Q234 PolarHBondContact O-N 2.81Å; S232-Q234 PolarHBondContact OG-N 2.81Å; Q234-D261 PolarHBondContact NE2-O 2.85Å; Q234-S262 PolarHBondContact OE1-OG 3.28Å
235	I	94.3	Very high	93.4	Very high	74 Å²	74	42.7 Å²	42.7	38%	0.379	22%	0.218	S	C	.	.			trans	-76.7	130.2	175.2	-63.5	171.9	0	0	0	107.5	Y237 E238	I235-Y237 PolarHBondContact O-N 3.21Å; I235-E238 HydrophobicContact CB-CB 3.98Å; I235-E238 HydrophobicContact CB-CG 3.98Å; I235-E238 HydrophobicContact CD1-CG 4.49Å; I235-E238 HydrophobicContact CG2-CB 4.47Å; I235-E238 PolarHBondContact N-OE2 3.46Å; I235-E238 VanDerWaalsContact N-OE2 3.15Å; I235-E238 WeakPolarHBondContact O-CB 3.21Å; I235-E238 PolarHBondContact O-N 2.68Å
236	P	94.2	Very high	93	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.013	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	123.9	-178.5	-14	27.5	0	0	0	110	I199 I225 W228 E229 P256	I199-P236 HydrophobicContact CG2-CB 3.67Å; I199-P236 HydrophobicContact CG2-CG 3.83Å; I225-P236 HydrophobicContact CG2-CB 4.13Å; I225-P236 HydrophobicContact CG2-CG 3.9Å; W228-P236 HydrophobicContact CE3-CB 4.11Å; W228-P236 HydrophobicContact CE3-CG 3.98Å; W228-P236 HydrophobicContact CZ3-CB 3.9Å; W228-P236 HydrophobicContact CZ3-CG 3.89Å; E229-P236 HydrophobicContact CB-CG 4.2Å; E229-P236 HydrophobicContact CG-CG 4.13Å; P236-P256 HydrophobicContact CB-CG 4.21Å
237	Y	92.8	Very high	92.6	Very high	11 Å²	11	44.9 Å²	44.9	4%	0.043	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	32.9	-173.6	-38.8	-78.5	0	0	0	114.9	I199 I235 E239 V240 I246 V250 K254 P256	I199-Y237 HydrophobicContact CG1-CD2 4.42Å; I199-Y237 HydrophobicContact CG2-CD2 4.42Å; I235-Y237 PolarHBondContact O-N 3.21Å; Y237-E239 WeakPolarHBondContact CA-OE2 3.47Å; Y237-E239 PolarHBondContact O-N 3.43Å; Y237-V240 PolarHBondContact O-N 2.86Å; Y237-I246 HydrophobicContact CD2-CD1 4.48Å; Y237-I246 HydrophobicContact CD2-CG2 3.59Å; Y237-I246 HydrophobicContact CE2-CG2 3.82Å; Y237-I246 HydrophobicContact CG-CG1 4.45Å; Y237-I246 HydrophobicContact CG-CG2 4.02Å; Y237-V250 HydrophobicContact CE2-CG2 4.43Å; Y237-V250 WeakPolarHBondContact OH-CG2 3.41Å; Y237-K254 HydrophobicContact CE1-CG 4.46Å; Y237-P256 HydrophobicContact CE1-CG 4.4Å; Y237-P256 HydrophobicContact CE2-CG 4.4Å; Y237-P256 WeakPolarHBondContact OH-CD 3.18Å
238	E	89.4	Confident	92.2	Very high	118 Å²	118	50.4 Å²	50.4	55%	0.551	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-27	178.2	-161.5	167.1	157.7	0	0	114.2	I235 V240	I235-E238 HydrophobicContact CB-CB 3.98Å; I235-E238 HydrophobicContact CB-CG 3.98Å; I235-E238 HydrophobicContact CD1-CG 4.49Å; I235-E238 HydrophobicContact CG2-CB 4.47Å; I235-E238 PolarHBondContact N-OE2 3.46Å; I235-E238 VanDerWaalsContact N-OE2 3.15Å; I235-E238 WeakPolarHBondContact O-CB 3.21Å; I235-E238 PolarHBondContact O-N 2.68Å; E238-V240 VanDerWaalsContact C-N 3.32Å; E238-V240 PolarHBondContact O-N 3.45Å
239	E	88.4	Confident	91.9	Very high	127 Å²	127	50.8 Å²	50.8	59%	0.593	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.9	178.4	83.9	-69.5	178.5	0	0	114.8	Y237 K254	Y237-E239 WeakPolarHBondContact CA-OE2 3.47Å; Y237-E239 PolarHBondContact O-N 3.43Å; E239-K254 IonicContact OE1-NZ 2.59Å; E239-K254 PolarHBondContact OE1-NZ 3.44Å
240	V	87.7	Confident	91.6	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.121	26%	0.259	C	S	.	.			trans	-112.5	90.8	-171.2	-169.6	0	0	0	0	112	Y237 E238 N242 Q245 I246	Y237-V240 PolarHBondContact O-N 2.86Å; E238-V240 VanDerWaalsContact C-N 3.32Å; E238-V240 PolarHBondContact O-N 3.45Å; V240-N242 PolarHBondContact O-N 3.29Å; V240-Q245 HydrophobicContact CG1-CB 3.53Å; V240-I246 HydrophobicContact CB-CD1 4.38Å; V240-I246 HydrophobicContact CB-CG1 3.83Å; V240-I246 HydrophobicContact CG1-CG1 3.61Å
241	T	84.3	Confident	91.2	Very high	127 Å²	127	54.5 Å²	54.5	78%	0.779	28%	0.278	S	S	*	.			trans	-71.8	13.1	-177.8	59	0	0	0	0	116
242	N	86.1	Confident	90.9	Very high	65 Å²	65	64.7 Å²	64.7	35%	0.348	32%	0.316	S	S	.	.			trans	-140	113.7	-179.7	-173.7	-37.1	0	0	0	110.8	V240 M244 Q245 I246	V240-N242 PolarHBondContact O-N 3.29Å; N242-M244 PolarHBondContact O-N 3.47Å; N242-M244 VanDerWaalsContact O-N 3.1Å; N242-M244 WeakPolarHBondContact OD1-CB 3.3Å; N242-M244 PolarHBondContact OD1-N 2.94Å; N242-Q245 HydrophobicContact CB-CB 4.4Å; N242-Q245 HydrophobicContact CB-CG 3.99Å; N242-Q245 WeakPolarHBondContact O-CB 3.13Å; N242-Q245 PolarHBondContact O-N 3.24Å; N242-I246 PolarHBondContact O-N 2.96Å
243	P	86.3	Confident	90.7	Very high	27 Å²	27	65.6 Å²	65.6	18%	0.175	33%	0.329	C	S	.	.	H	α-helix	trans	-52	-35.2	180	-31.5	37.5	0	0	0	114.6	E195 V198 Q245 I246 M247	E195-P243 HydrophobicContact CB-CG 3.65Å; E195-P243 HydrophobicContact CG-CG 3.8Å; V198-P243 HydrophobicContact CG2-CB 3.93Å; P243-Q245 VanDerWaalsContact C-N 3.3Å; P243-Q245 PolarHBondContact O-N 2.93Å; P243-I246 WeakPolarHBondContact O-CB 3.48Å; P243-I246 PolarHBondContact O-N 2.86Å; P243-M247 VanDerWaalsContact O-CG 3.3Å; P243-M247 WeakPolarHBondContact O-CG 3.46Å; P243-M247 PolarHBondContact O-N 3.46Å
244	M	87	Confident	90.5	Very high	96 Å²	96	68.8 Å²	68.8	47%	0.473	34%	0.343	S	S	.	.	H	α-helix	trans	-65.6	-33.1	177.9	-62.7	-62.9	-59.9	0	0	112.1	N242 M247 F248	N242-M244 PolarHBondContact O-N 3.47Å; N242-M244 VanDerWaalsContact O-N 3.1Å; N242-M244 WeakPolarHBondContact OD1-CB 3.3Å; N242-M244 PolarHBondContact OD1-N 2.94Å; M244-M247 PolarHBondContact O-N 3.14Å; M244-M247 HydrophobicContact SD-CE 4.42Å; M244-M247 HydrophobicContact SD-SD 3.79Å; M244-F248 HydrophobicContact CB-CD2 4.48Å; M244-F248 HydrophobicContact CB-CE2 4.45Å; M244-F248 HydrophobicContact CE-CE2 3.99Å; M244-F248 HydrophobicContact CE-CZ 4.27Å; M244-F248 WeakPolarHBondContact O-CB 3.32Å; M244-F248 WeakPolarHBondContact O-CD2 3.28Å; M244-F248 PolarHBondContact O-N 2.92Å
245	Q	90.1	Very high	90.5	Very high	117 Å²	117	67.6 Å²	67.6	55%	0.547	34%	0.336	S	S	.	.	H	α-helix	trans	-70.6	-35.4	175.6	-64.7	-178.9	17.3	0	0	111.4	V240 N242 P243 G249	V240-Q245 HydrophobicContact CG1-CB 3.53Å; N242-Q245 HydrophobicContact CB-CB 4.4Å; N242-Q245 HydrophobicContact CB-CG 3.99Å; N242-Q245 WeakPolarHBondContact O-CB 3.13Å; N242-Q245 PolarHBondContact O-N 3.24Å; P243-Q245 VanDerWaalsContact C-N 3.3Å; P243-Q245 PolarHBondContact O-N 2.93Å; Q245-G249 PolarHBondContact O-N 2.83Å
246	I	90.7	Very high	90.7	Very high	9 Å²	9	64.5 Å²	64.5	5%	0.046	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-51.9	170.8	-56.7	177.2	0	0	0	109.4	I199 Y237 V240 N242 P243 F248 G249 V250	I199-I246 HydrophobicContact CG1-CD1 4.19Å; Y237-I246 HydrophobicContact CD2-CD1 4.48Å; Y237-I246 HydrophobicContact CD2-CG2 3.59Å; Y237-I246 HydrophobicContact CE2-CG2 3.82Å; Y237-I246 HydrophobicContact CG-CG1 4.45Å; Y237-I246 HydrophobicContact CG-CG2 4.02Å; V240-I246 HydrophobicContact CB-CD1 4.38Å; V240-I246 HydrophobicContact CB-CG1 3.83Å; V240-I246 HydrophobicContact CG1-CG1 3.61Å; N242-I246 PolarHBondContact O-N 2.96Å; P243-I246 WeakPolarHBondContact O-CB 3.48Å; P243-I246 PolarHBondContact O-N 2.86Å; I246-F248 PolarHBondContact O-N 3.38Å; I246-G249 PolarHBondContact O-N 3.49Å; I246-G249 VanDerWaalsContact O-N 3.13Å; I246-V250 HydrophobicContact CG2-CG2 4.27Å; I246-V250 WeakPolarHBondContact O-CB 3.29Å; I246-V250 WeakPolarHBondContact O-CG2 3.39Å; I246-V250 PolarHBondContact O-N 3.39Å
247	M	89.8	Confident	90.7	Very high	37 Å²	37	68 Å²	68	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-56.9	-49.5	178.9	-64.5	164.3	74.1	0	0	112.3	V198 Y206 P243 M244 G249 V250 L251	V198-M247 HydrophobicContact CB-CG 4.11Å; V198-M247 HydrophobicContact CG1-CG 4.09Å; V198-M247 HydrophobicContact CG1-SD 3.96Å; V198-M247 HydrophobicContact CG2-CG 4.41Å; Y206-M247 HydrophobicContact CD1-CE 3.51Å; Y206-M247 HydrophobicContact CD1-CG 4.17Å; Y206-M247 HydrophobicContact CE1-CB 4.49Å; Y206-M247 HydrophobicContact CE1-CE 3.92Å; Y206-M247 HydrophobicContact CE1-CG 3.75Å; Y206-M247 HydrophobicContact CE1-SD 4.47Å; Y206-M247 HydrophobicContact CE2-CB 4.43Å; Y206-M247 HydrophobicContact CE2-CG 4.43Å; Y206-M247 HydrophobicContact CG-CE 4.14Å; P243-M247 VanDerWaalsContact O-CG 3.3Å; P243-M247 WeakPolarHBondContact O-CG 3.46Å; P243-M247 PolarHBondContact O-N 3.46Å; M244-M247 PolarHBondContact O-N 3.14Å; M244-M247 HydrophobicContact SD-CE 4.42Å; M244-M247 HydrophobicContact SD-SD 3.79Å; M247-G249 VanDerWaalsContact C-N 3.31Å; M247-G249 PolarHBondContact O-N 3.23Å; M247-V250 PolarHBondContact O-N 3.39Å; M247-L251 WeakPolarHBondContact O-CB 3.41Å; M247-L251 VanDerWaalsContact O-CG 3.32Å; M247-L251 WeakPolarHBondContact O-CG 3.46Å; M247-L251 PolarHBondContact O-N 2.92Å
248	F	90.1	Very high	90.9	Very high	117 Å²	117	69.8 Å²	69.8	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-31.1	177	-74.4	-55.4	0	0	0	113.1	M244 I246 L251 R252	M244-F248 HydrophobicContact CB-CD2 4.48Å; M244-F248 HydrophobicContact CB-CE2 4.45Å; M244-F248 HydrophobicContact CE-CE2 3.99Å; M244-F248 HydrophobicContact CE-CZ 4.27Å; M244-F248 WeakPolarHBondContact O-CB 3.32Å; M244-F248 WeakPolarHBondContact O-CD2 3.28Å; M244-F248 PolarHBondContact O-N 2.92Å; I246-F248 PolarHBondContact O-N 3.38Å; F248-L251 HydrophobicContact CD1-CD1 4.41Å; F248-R252 VanDerWaalsContact O-CG 3.27Å; F248-R252 WeakPolarHBondContact O-CG 3.42Å; F248-R252 PolarHBondContact O-N 3.23Å
249	G	92.8	Very high	91.2	Very high	15 Å²	15	66 Å²	66	16%	0.155	34%	0.338	C	S	.	.	H	α-helix	trans	-65.4	-50.9	171.4	0	0	0	0	0	111.8	Q245 I246 M247 L251 R252 G253 K254	Q245-G249 PolarHBondContact O-N 2.83Å; I246-G249 PolarHBondContact O-N 3.49Å; I246-G249 VanDerWaalsContact O-N 3.13Å; M247-G249 VanDerWaalsContact C-N 3.31Å; M247-G249 PolarHBondContact O-N 3.23Å; G249-L251 VanDerWaalsContact C-N 3.35Å; G249-L251 PolarHBondContact O-N 2.79Å; G249-R252 CarbonylContact O-C 3.4Å; G249-R252 WeakPolarHBondContact O-CA 3.48Å; G249-R252 WeakPolarHBondContact O-CB 3.37Å; G249-R252 PolarHBondContact O-N 3.32Å; G249-G253 PolarHBondContact O-N 3.03Å; G249-G253 VanDerWaalsContact O-N 3.17Å; G249-K254 VanDerWaalsContact O-CB 3.3Å; G249-K254 WeakPolarHBondContact O-CB 3.48Å; G249-K254 PolarHBondContact O-N 2.9Å
250	V	92.7	Very high	91.5	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-41.6	179.8	167.4	0	0	0	0	111.8	P203 Y206 Y221 Y237 I246 M247 R252 G253 R255	P203-V250 HydrophobicContact CB-CG1 4.04Å; P203-V250 HydrophobicContact CG-CG1 4.42Å; Y206-V250 HydrophobicContact CE2-CB 4.35Å; Y206-V250 HydrophobicContact CE2-CG1 3.93Å; Y221-V250 VanDerWaalsContact OH-CG1 3.28Å; Y221-V250 WeakPolarHBondContact OH-CG1 3.27Å; Y237-V250 HydrophobicContact CE2-CG2 4.43Å; Y237-V250 WeakPolarHBondContact OH-CG2 3.41Å; I246-V250 HydrophobicContact CG2-CG2 4.27Å; I246-V250 WeakPolarHBondContact O-CB 3.29Å; I246-V250 WeakPolarHBondContact O-CG2 3.39Å; I246-V250 PolarHBondContact O-N 3.39Å; M247-V250 PolarHBondContact O-N 3.39Å; V250-R252 PolarHBondContact O-N 3.16Å; V250-G253 PolarHBondContact O-N 3.39Å; V250-R255 PolarHBondContact O-NH1 3.19Å
251	L	90.3	Very high	91.7	Very high	78 Å²	78	72.3 Å²	72.3	41%	0.408	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-28.7	172.4	-76.2	168.9	0	0	0	113.4	P203 Y206 M247 F248 G249 G253	P203-L251 HydrophobicContact CB-CD2 4.16Å; P203-L251 WeakPolarHBondContact O-CD2 3.41Å; Y206-L251 HydrophobicContact CD2-CD1 4.42Å; Y206-L251 HydrophobicContact CD2-CD2 4.19Å; Y206-L251 HydrophobicContact CD2-CG 4.01Å; M247-L251 WeakPolarHBondContact O-CB 3.41Å; M247-L251 VanDerWaalsContact O-CG 3.32Å; M247-L251 WeakPolarHBondContact O-CG 3.46Å; M247-L251 PolarHBondContact O-N 2.92Å; F248-L251 HydrophobicContact CD1-CD1 4.41Å; G249-L251 VanDerWaalsContact C-N 3.35Å; G249-L251 PolarHBondContact O-N 2.79Å; L251-G253 VanDerWaalsContact C-N 3.33Å
252	R	92.1	Very high	92.2	Very high	220 Å²	220	67.1 Å²	67.1	83%	0.83	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	6.2	173.5	-69.4	174	179.5	-169.6	0.7	113.4	F248 G249 V250	F248-R252 VanDerWaalsContact O-CG 3.27Å; F248-R252 WeakPolarHBondContact O-CG 3.42Å; F248-R252 PolarHBondContact O-N 3.23Å; G249-R252 CarbonylContact O-C 3.4Å; G249-R252 WeakPolarHBondContact O-CA 3.48Å; G249-R252 WeakPolarHBondContact O-CB 3.37Å; G249-R252 PolarHBondContact O-N 3.32Å; V250-R252 PolarHBondContact O-N 3.16Å
253	G	91.5	Very high	92.7	Very high	38 Å²	38	64.1 Å²	64.1	39%	0.392	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	5.7	179.3	0	0	0	0	0	115.7	G249 V250 L251	G249-G253 PolarHBondContact O-N 3.03Å; G249-G253 VanDerWaalsContact O-N 3.17Å; V250-G253 PolarHBondContact O-N 3.39Å; L251-G253 VanDerWaalsContact C-N 3.33Å
254	K	94.7	Very high	93.1	Very high	88 Å²	88	64.8 Å²	64.8	38%	0.383	33%	0.332	S	S	.	.			trans	-61.5	141.3	169.5	-167.6	-174.1	175.1	-171.6	0	109.5	Y237 E239 G249	Y237-K254 HydrophobicContact CE1-CG 4.46Å; E239-K254 IonicContact OE1-NZ 2.59Å; E239-K254 PolarHBondContact OE1-NZ 3.44Å; G249-K254 VanDerWaalsContact O-CB 3.3Å; G249-K254 WeakPolarHBondContact O-CB 3.48Å; G249-K254 PolarHBondContact O-N 2.9Å
255	R	96.3	Very high	93.4	Very high	32 Å²	32	63.5 Å²	63.5	12%	0.121	34%	0.336	C	S	.	.			trans	-137.9	171	175.1	-65.6	-63.4	-175.9	-82	-4.2	109.1	V250 W281 S283	V250-R255 PolarHBondContact O-NH1 3.19Å; R255-W281 HydrophobicContact CB-CD2 4.37Å; R255-W281 HydrophobicContact CB-CZ2 3.98Å; R255-W281 HydrophobicContact CG-CD2 4.3Å; R255-W281 HydrophobicContact CG-CG 4.15Å; R255-W281 VanDerWaalsContact CZ-O 3.3Å; R255-W281 PolarHBondContact NE-O 3.18Å; R255-W281 PolarHBondContact NH2-O 3.2Å; R255-S283 PolarHBondContact NH2-OG 3.45Å
256	P	96.4	Very high	93.6	Very high	9 Å²	9	62.9 Å²	62.9	6%	0.058	34%	0.337	C	S	.	.			trans	-60.7	152.6	170.4	-20.5	35	0	0	0	111	I225 W228 P236 Y237 W281	I225-P256 HydrophobicContact CD1-CG 3.9Å; W228-P256 HydrophobicContact CD2-CB 3.42Å; W228-P256 VanDerWaalsContact CD2-CB 3.42Å; W228-P256 HydrophobicContact CD2-CG 4.2Å; W228-P256 HydrophobicContact CE3-CB 3.88Å; W228-P256 HydrophobicContact CE3-CG 4.38Å; W228-P256 HydrophobicContact CG-CB 3.78Å; W228-P256 HydrophobicContact CG-CG 4.4Å; W228-P256 HydrophobicContact CH2-CB 4.21Å; W228-P256 HydrophobicContact CZ2-CB 3.78Å; W228-P256 HydrophobicContact CZ3-CB 4.26Å; P236-P256 HydrophobicContact CB-CG 4.21Å; Y237-P256 HydrophobicContact CE1-CG 4.4Å; Y237-P256 HydrophobicContact CE2-CG 4.4Å; Y237-P256 WeakPolarHBondContact OH-CD 3.18Å; P256-W281 HydrophobicContact CB-CH2 4.21Å; P256-W281 HydrophobicContact CB-CZ3 4.45Å; P256-W281 HydrophobicContact CG-CH2 4.19Å; P256-W281 HydrophobicContact CG-CZ3 4Å
257	D	95.9	Very high	93.9	Very high	77 Å²	77	62.9 Å²	62.9	41%	0.412	34%	0.337	S	S	.	.			trans	-76.2	131.4	-172.1	172.3	39.2	0	0	0	112.7	W228 S259 S262	W228-D257 PolarHBondContact NE1-O 2.82Å; D257-S259 VanDerWaalsContact OD1-CB 3.3Å; D257-S259 WeakPolarHBondContact OD1-CB 3.36Å; D257-S259 PolarHBondContact OD1-N 3.46Å; D257-S259 VanDerWaalsContact OD2-CB 3.23Å; D257-S259 WeakPolarHBondContact OD2-CB 3.44Å; D257-S259 PolarHBondContact OD2-OG 3.5Å; D257-S262 WeakPolarHBondContact O-CB 3.44Å; D257-S262 PolarHBondContact OD2-OG 3.33Å; D257-S262 VanDerWaalsContact OD2-OG 3.09Å
258	T	96.6	Very high	94.2	Very high	47 Å²	47	62.5 Å²	62.5	29%	0.288	34%	0.337	S	S	.	.			trans	-103	10.9	179.1	58.4	0	0	0	0	113.6	L263 R270 I274 M277 T278 W281	T258-L263 HydrophobicContact CG2-CD1 4.11Å; T258-R270 PolarHBondContact O-NH2 3.08Å; T258-I274 HydrophobicContact CG2-CG2 4.42Å; T258-M277 HydrophobicContact CG2-SD 4.22Å; T258-T278 HydrophobicContact CG2-CG2 4.26Å; T258-W281 HydrophobicContact CG2-CH2 4.2Å; T258-W281 HydrophobicContact CG2-CZ2 3.93Å
259	S	95.8	Very high	94.5	Very high	39 Å²	39	58.8 Å²	58.8	27%	0.273	33%	0.326	S	S	.	.	S	Bend	trans	-61.2	176	172.8	84.9	0	0	0	0	112.8	D257 D261 L263 R270	D257-S259 VanDerWaalsContact OD1-CB 3.3Å; D257-S259 WeakPolarHBondContact OD1-CB 3.36Å; D257-S259 PolarHBondContact OD1-N 3.46Å; D257-S259 VanDerWaalsContact OD2-CB 3.23Å; D257-S259 WeakPolarHBondContact OD2-CB 3.44Å; D257-S259 PolarHBondContact OD2-OG 3.5Å; S259-D261 PolarHBondContact O-N 3.31Å; S259-D261 PolarHBondContact OG-N 2.91Å; S259-D261 VanDerWaalsContact OG-N 3.14Å; S259-L263 PolarHBondContact O-N 3.17Å; S259-R270 PolarHBondContact O-NH2 3.38Å
260	Q	94.1	Very high	94.7	Very high	132 Å²	132	60.5 Å²	60.5	62%	0.617	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.8	176.1	-170	168.9	-22.4	0	0	113.2	L263 A265	Q260-L263 WeakPolarHBondContact CA-O 3.29Å; Q260-A265 HydrophobicContact CG-CB 4.41Å
261	D	92.4	Very high	94.9	Very high	148 Å²	148	66.2 Å²	66.2	79%	0.791	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-33.4	-178.5	-61.2	-25	0	0	0	111.8	Q234 S259	Q234-D261 PolarHBondContact NE2-O 2.85Å; S259-D261 PolarHBondContact O-N 3.31Å; S259-D261 PolarHBondContact OG-N 2.91Å; S259-D261 VanDerWaalsContact OG-N 3.14Å
262	S	94.2	Very high	95.2	Very high	18 Å²	18	65 Å²	65	13%	0.126	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-36.3	174	-62	0	0	0	0	113.1	S232 Q234 D257	S232-S262 WeakPolarHBondContact CA-O 3.47Å; S232-S262 WeakPolarHBondContact CB-O 3.48Å; Q234-S262 PolarHBondContact OE1-OG 3.28Å; D257-S262 WeakPolarHBondContact O-CB 3.44Å; D257-S262 PolarHBondContact OD2-OG 3.33Å; D257-S262 VanDerWaalsContact OD2-OG 3.09Å
263	L	96.6	Very high	95.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	32%	0.315	C	S	.	.	S	Bend	trans	-122.3	92.6	179.9	-65	-177.2	0	0	0	110.2	L231 T258 S259 Q260 I267 R270 I274 M277	L231-L263 HydrophobicContact CB-CD2 3.8Å; T258-L263 HydrophobicContact CG2-CD1 4.11Å; S259-L263 PolarHBondContact O-N 3.17Å; Q260-L263 WeakPolarHBondContact CA-O 3.29Å; L263-I267 HydrophobicContact CB-CD1 3.78Å; L263-I267 HydrophobicContact CD2-CD1 4.1Å; L263-I267 HydrophobicContact CG-CD1 4.5Å; L263-R270 VanDerWaalsContact O-CZ 3.27Å; L263-R270 PolarHBondContact O-NE 3.13Å; L263-R270 PolarHBondContact O-NH2 2.92Å; L263-I274 HydrophobicContact CD1-CD1 3.89Å; L263-I274 HydrophobicContact CD1-CG1 3.71Å; L263-M277 HydrophobicContact CD1-CE 3.82Å; L263-M277 HydrophobicContact CD1-SD 3.92Å
264	A	94.4	Very high	95.8	Very high	42 Å²	42	54 Å²	54	35%	0.347	30%	0.302	S	S	.	.			trans	-55.4	157.5	-175.3	0	0	0	0	0	114.5	D266 I267 R270	A264-D266 VanDerWaalsContact C-N 3.29Å; A264-D266 VanDerWaalsContact CB-OD1 3.26Å; A264-D266 WeakPolarHBondContact CB-OD1 3.33Å; A264-D266 PolarHBondContact O-N 3.33Å; A264-I267 WeakPolarHBondContact O-CD1 3.22Å; A264-I267 VanDerWaalsContact O-CG1 3.31Å; A264-I267 WeakPolarHBondContact O-CG1 3.44Å; A264-R270 WeakPolarHBondContact O-CD 3.43Å; A264-R270 PolarHBondContact O-NE 3.03Å
265	A	94.7	Very high	96	Very high	68 Å²	68	53.3 Å²	53.3	56%	0.562	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.3	-175.2	0	0	0	0	0	114.6	Q260	Q260-A265 HydrophobicContact CG-CB 4.41Å
266	D	94.3	Very high	96	Very high	104 Å²	104	52.2 Å²	52.2	56%	0.556	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-2.7	178.7	71.9	-55.1	0	0	0	113.9	W126 A264 P268	W126-D266 WeakPolarHBondContact CZ2-OD2 3.48Å; W126-D266 PolarHBondContact NE1-OD2 3.02Å; A264-D266 VanDerWaalsContact C-N 3.29Å; A264-D266 VanDerWaalsContact CB-OD1 3.26Å; A264-D266 WeakPolarHBondContact CB-OD1 3.33Å; A264-D266 PolarHBondContact O-N 3.33Å; D266-P268 VanDerWaalsContact O-CD 3.29Å; D266-P268 WeakPolarHBondContact O-CD 3.44Å
267	I	96.8	Very high	96.1	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.046	30%	0.302	C	S	.	.	S	Bend	trans	-57.5	118.9	175.2	-67.3	168.6	0	0	0	110.1	W126 L231 L263 A264 S269 R270 L273	W126-I267 HydrophobicContact CH2-CB 4.47Å; W126-I267 HydrophobicContact CH2-CD1 4.4Å; W126-I267 HydrophobicContact CH2-CG1 3.47Å; W126-I267 VanDerWaalsContact CH2-CG1 3.47Å; W126-I267 HydrophobicContact CZ2-CG1 3.85Å; W126-I267 HydrophobicContact CZ3-CG1 4.03Å; L231-I267 HydrophobicContact CB-CD1 4.32Å; L231-I267 HydrophobicContact CD2-CG2 4.08Å; L263-I267 HydrophobicContact CB-CD1 3.78Å; L263-I267 HydrophobicContact CD2-CD1 4.1Å; L263-I267 HydrophobicContact CG-CD1 4.5Å; A264-I267 WeakPolarHBondContact O-CD1 3.22Å; A264-I267 VanDerWaalsContact O-CG1 3.31Å; A264-I267 WeakPolarHBondContact O-CG1 3.44Å; I267-S269 PolarHBondContact O-N 3.4Å; I267-R270 HydrophobicContact CB-CB 4.03Å; I267-R270 HydrophobicContact CB-CG 4.18Å; I267-R270 HydrophobicContact CG2-CB 4.15Å; I267-R270 HydrophobicContact CG2-CG 4.45Å; I267-R270 WeakPolarHBondContact O-CB 3.31Å; I267-R270 PolarHBondContact O-N 2.86Å; I267-R270 VanDerWaalsContact O-N 3.1Å; I267-L273 HydrophobicContact CG2-CD1 3.63Å
268	P	96	Very high	96.2	Very high	30 Å²	30	50.6 Å²	50.6	20%	0.195	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	127.5	178	-22.2	34	0	0	0	111.4	W126 L130 D266 R270 L273 F305	W126-P268 HydrophobicContact CB-CG 3.86Å; W126-P268 HydrophobicContact CD2-CG 4.49Å; W126-P268 HydrophobicContact CG-CG 3.89Å; L130-P268 HydrophobicContact CD1-CB 4.26Å; L130-P268 HydrophobicContact CD1-CG 4.39Å; D266-P268 VanDerWaalsContact O-CD 3.29Å; D266-P268 WeakPolarHBondContact O-CD 3.44Å; P268-R270 VanDerWaalsContact C-N 3.29Å; P268-R270 PolarHBondContact O-N 3.01Å; P268-L273 WeakPolarHBondContact O-CD1 3.4Å; P268-F305 HydrophobicContact CG-CZ 4.37Å
269	S	96.1	Very high	96.2	Very high	38 Å²	38	50.3 Å²	50.3	27%	0.266	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	36.9	-172.2	-70.4	0	0	0	0	114.4	I267 D271 T272 L273 M301 R304	I267-S269 PolarHBondContact O-N 3.4Å; S269-D271 VanDerWaalsContact C-N 3.29Å; S269-D271 PolarHBondContact O-N 3.45Å; S269-D271 VanDerWaalsContact O-N 3.13Å; S269-T272 PolarHBondContact O-N 3.25Å; S269-T272 VanDerWaalsContact O-N 3.07Å; S269-L273 PolarHBondContact O-N 2.93Å; S269-M301 VanDerWaalsContact CB-SD 3.56Å; S269-R304 PolarHBondContact OG-NH1 3.21Å; S269-R304 PolarHBondContact OG-NH2 3.28Å
270	R	97	Very high	96.3	Very high	51 Å²	51	48.4 Å²	48.4	19%	0.192	29%	0.285	C	S	.	.	H	α-helix	trans	-37.9	-53.4	178.6	-171.3	179.3	-176.5	-74.4	-8.7	114.1	T258 S259 L263 A264 I267 P268 L273 I274	T258-R270 PolarHBondContact O-NH2 3.08Å; S259-R270 PolarHBondContact O-NH2 3.38Å; L263-R270 VanDerWaalsContact O-CZ 3.27Å; L263-R270 PolarHBondContact O-NE 3.13Å; L263-R270 PolarHBondContact O-NH2 2.92Å; A264-R270 WeakPolarHBondContact O-CD 3.43Å; A264-R270 PolarHBondContact O-NE 3.03Å; I267-R270 HydrophobicContact CB-CB 4.03Å; I267-R270 HydrophobicContact CB-CG 4.18Å; I267-R270 HydrophobicContact CG2-CB 4.15Å; I267-R270 HydrophobicContact CG2-CG 4.45Å; I267-R270 WeakPolarHBondContact O-CB 3.31Å; I267-R270 PolarHBondContact O-N 2.86Å; I267-R270 VanDerWaalsContact O-N 3.1Å; P268-R270 VanDerWaalsContact C-N 3.29Å; P268-R270 PolarHBondContact O-N 3.01Å; R270-L273 PolarHBondContact O-N 3.34Å; R270-I274 HydrophobicContact CG-CD1 3.87Å; R270-I274 VanDerWaalsContact CZ-CD1 3.46Å; R270-I274 WeakPolarHBondContact O-CG1 3.46Å; R270-I274 PolarHBondContact O-N 3.49Å
271	D	97	Very high	96.4	Very high	121 Å²	121	42.8 Å²	42.8	65%	0.647	26%	0.258	S	S	*	.	H	α-helix	trans	-70.9	-35.4	-172.9	-54.6	-34.8	0	0	0	112.6	S269 I274 S275	S269-D271 VanDerWaalsContact C-N 3.29Å; S269-D271 PolarHBondContact O-N 3.45Å; S269-D271 VanDerWaalsContact O-N 3.13Å; D271-I274 PolarHBondContact O-N 3.19Å; D271-S275 WeakPolarHBondContact O-CB 3.37Å; D271-S275 PolarHBondContact O-N 3.42Å
272	T	96.9	Very high	96.5	Very high	54 Å²	54	37.3 Å²	37.3	33%	0.331	23%	0.23	S	C	.	.	H	α-helix	trans	-66.7	-41.7	173	-42.4	0	0	0	0	111	S269 S275 L276 M301	S269-T272 PolarHBondContact O-N 3.25Å; S269-T272 VanDerWaalsContact O-N 3.07Å; T272-S275 PolarHBondContact O-N 3.28Å; T272-L276 WeakPolarHBondContact O-CB 3.19Å; T272-L276 PolarHBondContact O-N 2.95Å; T272-M301 HydrophobicContact CG2-CE 3.43Å; T272-M301 VanDerWaalsContact CG2-CE 3.43Å
273	L	97.9	Very high	96.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-37	176.4	-70.2	167.4	0	0	0	112.3	L130 M227 L231 I267 P268 S269 R270 L276 M277 L298 M301	L130-L273 HydrophobicContact CD2-CD1 4.03Å; L130-L273 HydrophobicContact CD2-CD2 4.26Å; M227-L273 HydrophobicContact CE-CD2 3.92Å; L231-L273 HydrophobicContact CD1-CB 4.01Å; L231-L273 HydrophobicContact CD1-CD1 4.07Å; L231-L273 HydrophobicContact CD1-CG 4.45Å; L231-L273 HydrophobicContact CD2-CD1 4.08Å; I267-L273 HydrophobicContact CG2-CD1 3.63Å; P268-L273 WeakPolarHBondContact O-CD1 3.4Å; S269-L273 PolarHBondContact O-N 2.93Å; R270-L273 PolarHBondContact O-N 3.34Å; L273-L276 PolarHBondContact O-N 3.36Å; L273-M277 WeakPolarHBondContact O-CE 3.49Å; L273-M277 WeakPolarHBondContact O-CG 3.46Å; L273-M277 PolarHBondContact O-N 3.42Å; L273-L298 HydrophobicContact CD2-CD2 3.7Å; L273-M301 HydrophobicContact CD1-SD 4.29Å; L273-M301 HydrophobicContact CD2-CE 4.03Å; L273-M301 HydrophobicContact CD2-SD 3.72Å; L273-M301 HydrophobicContact CG-CE 4.12Å; L273-M301 HydrophobicContact CG-SD 3.8Å
274	I	98.1	Very high	96	Very high	25 Å²	25	42.2 Å²	42.2	13%	0.128	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-44.2	173.4	-72	172.4	0	0	0	110.7	T258 L263 R270 D271 L276 M277 T278	T258-I274 HydrophobicContact CG2-CG2 4.42Å; L263-I274 HydrophobicContact CD1-CD1 3.89Å; L263-I274 HydrophobicContact CD1-CG1 3.71Å; R270-I274 HydrophobicContact CG-CD1 3.87Å; R270-I274 VanDerWaalsContact CZ-CD1 3.46Å; R270-I274 WeakPolarHBondContact O-CG1 3.46Å; R270-I274 PolarHBondContact O-N 3.49Å; D271-I274 PolarHBondContact O-N 3.19Å; I274-L276 VanDerWaalsContact C-N 3.3Å; I274-L276 PolarHBondContact O-N 3.22Å; I274-M277 HydrophobicContact CG1-CE 4.13Å; I274-M277 WeakPolarHBondContact O-CG 3.34Å; I274-T278 HydrophobicContact CG2-CG2 4.2Å; I274-T278 VanDerWaalsContact O-CB 3.3Å; I274-T278 WeakPolarHBondContact O-CB 3.1Å; I274-T278 VanDerWaalsContact O-CG2 3.25Å; I274-T278 WeakPolarHBondContact O-CG2 3.49Å; I274-T278 PolarHBondContact O-N 2.97Å; I274-T278 PolarHBondContact O-OG1 2.97Å
275	S	98.1	Very high	95.9	Very high	74 Å²	74	41.4 Å²	41.4	52%	0.517	25%	0.251	S	S	.	.	H	α-helix	trans	-57.8	-43.5	173.3	-172.2	0	0	0	0	111.7	D271 T272 T278 S279	D271-S275 WeakPolarHBondContact O-CB 3.37Å; D271-S275 PolarHBondContact O-N 3.42Å; T272-S275 PolarHBondContact O-N 3.28Å; S275-T278 PolarHBondContact O-OG1 3.45Å; S275-S279 WeakPolarHBondContact O-CB 3.38Å; S275-S279 PolarHBondContact O-N 2.98Å; S275-S279 PolarHBondContact O-OG 3.16Å
276	L	97.6	Very high	95.7	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-70.5	-43.7	-178.7	-169.9	60.5	0	0	0	112.9	M227 T272 L273 I274 S279 G280 P289 C294 E297 L298	M227-L276 HydrophobicContact CE-CB 4.08Å; M227-L276 HydrophobicContact CE-CD2 3.96Å; M227-L276 HydrophobicContact CE-CG 4.06Å; M227-L276 HydrophobicContact SD-CD2 4.35Å; M227-L276 HydrophobicContact SD-CG 4.23Å; T272-L276 WeakPolarHBondContact O-CB 3.19Å; T272-L276 PolarHBondContact O-N 2.95Å; L273-L276 PolarHBondContact O-N 3.36Å; I274-L276 VanDerWaalsContact C-N 3.3Å; I274-L276 PolarHBondContact O-N 3.22Å; L276-S279 PolarHBondContact O-OG 3.1Å; L276-S279 VanDerWaalsContact O-OG 3.11Å; L276-G280 PolarHBondContact O-N 3.44Å; L276-P289 HydrophobicContact CD1-CG 4.31Å; L276-C294 HydrophobicContact CD1-CB 4.28Å; L276-C294 HydrophobicContact CD2-CB 4.29Å; L276-E297 HydrophobicContact CD1-CB 4.5Å; L276-E297 HydrophobicContact CD1-CG 4.41Å; L276-E297 HydrophobicContact CD2-CB 4.01Å; L276-L298 HydrophobicContact CD2-CD1 4.13Å; L276-L298 HydrophobicContact CD2-CD2 4.15Å; L276-L298 HydrophobicContact CD2-CG 3.83Å
277	M	97	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-37.9	175.1	76.7	-178	72	0	0	111.9	A224 M227 W228 L231 T258 L263 L273 I274 G280 W281	A224-M277 WeakPolarHBondContact CB-O 3.21Å; M227-M277 HydrophobicContact CB-CB 4.17Å; M227-M277 HydrophobicContact CE-CB 4.32Å; M227-M277 HydrophobicContact SD-CB 4.37Å; W228-M277 HydrophobicContact CB-SD 3.98Å; W228-M277 HydrophobicContact CG-SD 4.4Å; L231-M277 HydrophobicContact CD1-CE 3.57Å; T258-M277 HydrophobicContact CG2-SD 4.22Å; L263-M277 HydrophobicContact CD1-CE 3.82Å; L263-M277 HydrophobicContact CD1-SD 3.92Å; L273-M277 WeakPolarHBondContact O-CE 3.49Å; L273-M277 WeakPolarHBondContact O-CG 3.46Å; L273-M277 PolarHBondContact O-N 3.42Å; I274-M277 HydrophobicContact CG1-CE 4.13Å; I274-M277 WeakPolarHBondContact O-CG 3.34Å; M277-G280 WeakPolarHBondContact O-CA 3.4Å; M277-G280 PolarHBondContact O-N 3.45Å; M277-W281 HydrophobicContact CB-CZ3 4.44Å; M277-W281 HydrophobicContact CG-CH2 4Å; M277-W281 HydrophobicContact CG-CZ2 4.2Å; M277-W281 HydrophobicContact CG-CZ3 4.29Å; M277-W281 PolarHBondContact O-N 3.14Å; M277-W281 HydrophobicContact SD-CH2 3.75Å; M277-W281 HydrophobicContact SD-CZ2 4.36Å; M277-W281 HydrophobicContact SD-CZ3 4.22Å
278	T	97.9	Very high	95.6	Very high	52 Å²	52	44.8 Å²	44.8	32%	0.319	26%	0.256	S	S	.	.	H	α-helix	trans	-73.4	-36.7	-176.9	54.8	0	0	0	0	113.2	T258 I274 S275 W281 T282	T258-T278 HydrophobicContact CG2-CG2 4.26Å; I274-T278 HydrophobicContact CG2-CG2 4.2Å; I274-T278 VanDerWaalsContact O-CB 3.3Å; I274-T278 WeakPolarHBondContact O-CB 3.1Å; I274-T278 VanDerWaalsContact O-CG2 3.25Å; I274-T278 WeakPolarHBondContact O-CG2 3.49Å; I274-T278 PolarHBondContact O-N 2.97Å; I274-T278 PolarHBondContact O-OG1 2.97Å; S275-T278 PolarHBondContact O-OG1 3.45Å; T278-W281 HydrophobicContact CG2-CZ2 3.96Å; T278-T282 PolarHBondContact O-N 3.47Å
279	S	97.7	Very high	95.6	Very high	41 Å²	41	44.2 Å²	44.2	29%	0.287	25%	0.252	S	S	.	.	H	α-helix	trans	-67.3	-36.1	166	57.3	0	0	0	0	111.8	S275 L276 W281 T282 R288 P289	S275-S279 WeakPolarHBondContact O-CB 3.38Å; S275-S279 PolarHBondContact O-N 2.98Å; S275-S279 PolarHBondContact O-OG 3.16Å; L276-S279 PolarHBondContact O-OG 3.1Å; L276-S279 VanDerWaalsContact O-OG 3.11Å; S279-W281 VanDerWaalsContact C-N 3.34Å; S279-W281 PolarHBondContact O-N 3.07Å; S279-T282 VanDerWaalsContact O-CG2 3.31Å; S279-T282 WeakPolarHBondContact O-CG2 3.44Å; S279-R288 WeakPolarHBondContact O-CA 3.25Å; S279-P289 WeakPolarHBondContact O-CD 3.1Å
280	G	96.8	Very high	95.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-36.9	174.3	0	0	0	0	0	114.8	Y221 L276 M277 R288	Y221-G280 WeakPolarHBondContact CA-O 3.5Å; L276-G280 PolarHBondContact O-N 3.44Å; M277-G280 WeakPolarHBondContact O-CA 3.4Å; M277-G280 PolarHBondContact O-N 3.45Å; G280-R288 VanDerWaalsContact O-CD 3.25Å; G280-R288 WeakPolarHBondContact O-CD 3.44Å; G280-R288 WeakPolarHBondContact O-CG 3.39Å
281	W	96.8	Very high	95.6	Very high	13 Å²	13	42.6 Å²	42.6	5%	0.049	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	13.9	-177.7	67.1	35.1	0	0	0	116.2	Y221 A224 I225 W228 R255 P256 T258 M277 T278 S279	Y221-W281 HydrophobicContact CD2-CB 3.85Å; Y221-W281 HydrophobicContact CE2-CB 3.83Å; Y221-W281 WeakPolarHBondContact CE2-O 3.03Å; A224-W281 HydrophobicContact CB-CB 3.91Å; A224-W281 HydrophobicContact CB-CD2 4.49Å; A224-W281 HydrophobicContact CB-CE3 4.06Å; A224-W281 HydrophobicContact CB-CG 4.48Å; I225-W281 HydrophobicContact CD1-CE3 3.76Å; I225-W281 HydrophobicContact CD1-CZ3 4.18Å; I225-W281 HydrophobicContact CG1-CE3 4.47Å; W228-W281 HydrophobicContact CB-CH2 4.03Å; W228-W281 HydrophobicContact CB-CZ3 3.69Å; W228-W281 AromaticContact CD1-CH2 3.86Å; W228-W281 HydrophobicContact CG-CH2 4.11Å; W228-W281 HydrophobicContact CG-CZ3 4.18Å; R255-W281 HydrophobicContact CB-CD2 4.37Å; R255-W281 HydrophobicContact CB-CZ2 3.98Å; R255-W281 HydrophobicContact CG-CD2 4.3Å; R255-W281 HydrophobicContact CG-CG 4.15Å; R255-W281 VanDerWaalsContact CZ-O 3.3Å; R255-W281 PolarHBondContact NE-O 3.18Å; R255-W281 PolarHBondContact NH2-O 3.2Å; P256-W281 HydrophobicContact CB-CH2 4.21Å; P256-W281 HydrophobicContact CB-CZ3 4.45Å; P256-W281 HydrophobicContact CG-CH2 4.19Å; P256-W281 HydrophobicContact CG-CZ3 4Å; T258-W281 HydrophobicContact CG2-CH2 4.2Å; T258-W281 HydrophobicContact CG2-CZ2 3.93Å; M277-W281 HydrophobicContact CB-CZ3 4.44Å; M277-W281 HydrophobicContact CG-CH2 4Å; M277-W281 HydrophobicContact CG-CZ2 4.2Å; M277-W281 HydrophobicContact CG-CZ3 4.29Å; M277-W281 PolarHBondContact O-N 3.14Å; M277-W281 HydrophobicContact SD-CH2 3.75Å; M277-W281 HydrophobicContact SD-CZ2 4.36Å; M277-W281 HydrophobicContact SD-CZ3 4.22Å; T278-W281 HydrophobicContact CG2-CZ2 3.96Å; S279-W281 VanDerWaalsContact C-N 3.34Å; S279-W281 PolarHBondContact O-N 3.07Å
282	T	95	Very high	95.6	Very high	33 Å²	33	41.6 Å²	41.6	20%	0.202	24%	0.242	C	C	.	.			trans	-56.9	148.1	177.6	179.5	0	0	0	0	111.9	T278 S279 N284 E287 R288	T278-T282 PolarHBondContact O-N 3.47Å; S279-T282 VanDerWaalsContact O-CG2 3.31Å; S279-T282 WeakPolarHBondContact O-CG2 3.44Å; T282-N284 WeakPolarHBondContact CG2-O 3.47Å; T282-N284 PolarHBondContact O-N 3.11Å; T282-E287 HydrophobicContact CG2-CB 3.49Å; T282-E287 VanDerWaalsContact CG2-CB 3.49Å; T282-E287 PolarHBondContact OG1-OE2 2.9Å; T282-R288 HydrophobicContact CG2-CG 3.73Å; T282-R288 PolarHBondContact O-NE 3.02Å; T282-R288 PolarHBondContact O-NH2 2.95Å; T282-R288 VanDerWaalsContact O-NH2 3.15Å
283	S	90.4	Very high	95.6	Very high	61 Å²	61	42 Å²	42	43%	0.427	24%	0.244	S	C	.	.	S	Bend	trans	-70.8	-13.4	-175.7	-64.4	0	0	0	0	113.6	R255	R255-S283 PolarHBondContact NH2-OG 3.45Å
284	N	90	Very high	95.5	Very high	61 Å²	61	42 Å²	42	33%	0.326	25%	0.245	S	C	.	.	S	Bend	trans	-100.4	112.5	172.8	179.5	12.1	0	0	0	110	T282 D286 E287	T282-N284 WeakPolarHBondContact CG2-O 3.47Å; T282-N284 PolarHBondContact O-N 3.11Å; N284-D286 PolarHBondContact O-N 3.24Å; N284-D286 PolarHBondContact OD1-N 3.36Å; N284-E287 HydrophobicContact CB-CG 4.21Å; N284-E287 WeakPolarHBondContact CB-OE1 3.25Å; N284-E287 PolarHBondContact ND2-OE1 3.38Å; N284-E287 PolarHBondContact O-N 3.31Å
285	P	90.9	Very high	95.5	Very high	25 Å²	25	41.6 Å²	41.6	16%	0.162	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.3	-34.8	-176.6	-24.4	34.4	0	0	0	113.7	E204 D215 K217 E287 R288	E204-P285 HydrophobicContact CG-CG 4.22Å; D215-P285 VanDerWaalsContact OD2-CB 3.23Å; D215-P285 WeakPolarHBondContact OD2-CB 3.25Å; K217-P285 HydrophobicContact CB-CB 3.97Å; K217-P285 HydrophobicContact CG-CB 4.34Å; K217-P285 WeakPolarHBondContact CG-O 3.36Å; K217-P285 PolarHBondContact NZ-O 2.84Å; P285-E287 PolarHBondContact O-N 3.2Å; P285-R288 WeakPolarHBondContact O-CB 3.36Å; P285-R288 PolarHBondContact O-N 3.32Å; P285-R288 VanDerWaalsContact O-N 3.08Å
286	D	90.5	Very high	95.5	Very high	134 Å²	134	42.9 Å²	42.9	72%	0.717	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-61.5	-30.6	-178.1	-72.8	-43.1	0	0	0	113.3	K217 N284	K217-D286 PolarHBondContact NZ-O 3.09Å; N284-D286 PolarHBondContact O-N 3.24Å; N284-D286 PolarHBondContact OD1-N 3.36Å
287	E	93.6	Very high	95.5	Very high	116 Å²	116	46.5 Å²	46.5	54%	0.542	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-76.1	-22.1	177.3	-73.5	159.7	-150.4	0	0	113.8	T282 N284 P285	T282-E287 HydrophobicContact CG2-CB 3.49Å; T282-E287 VanDerWaalsContact CG2-CB 3.49Å; T282-E287 PolarHBondContact OG1-OE2 2.9Å; N284-E287 HydrophobicContact CB-CG 4.21Å; N284-E287 WeakPolarHBondContact CB-OE1 3.25Å; N284-E287 PolarHBondContact ND2-OE1 3.38Å; N284-E287 PolarHBondContact O-N 3.31Å; P285-E287 PolarHBondContact O-N 3.2Å
288	R	95.6	Very high	95.5	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.011	26%	0.259	C	S	.	.	S	Bend	trans	-65.1	137	-176.7	-59.6	177	-164.8	146.8	10.5	110.6	E204 K217 M220 S279 G280 T282 P285	E204-R288 IonicContact OE1-CZ 3.8Å; E204-R288 IonicContact OE1-NH1 3.37Å; E204-R288 PolarHBondContact OE1-NH1 3.47Å; E204-R288 IonicContact OE1-NH2 3.1Å; E204-R288 PolarHBondContact OE1-NH2 3.27Å; E204-R288 VanDerWaalsContact OE1-NH2 3.09Å; E204-R288 IonicContact OE2-CZ 3.96Å; E204-R288 IonicContact OE2-NH1 3.34Å; E204-R288 IonicContact OE2-NH2 3.9Å; E204-R288 PolarHBondContact OE2-NH2 3.44Å; K217-R288 HydrophobicContact CB-CB 4.39Å; K217-R288 HydrophobicContact CD-CB 4.25Å; K217-R288 WeakPolarHBondContact CE-O 3.34Å; K217-R288 PolarHBondContact NZ-O 3.33Å; K217-R288 WeakPolarHBondContact O-CD 3.41Å; K217-R288 PolarHBondContact O-NH1 3.42Å; M220-R288 HydrophobicContact CB-CB 4.47Å; M220-R288 HydrophobicContact CG-CB 4.06Å; S279-R288 WeakPolarHBondContact O-CA 3.25Å; G280-R288 VanDerWaalsContact O-CD 3.25Å; G280-R288 WeakPolarHBondContact O-CD 3.44Å; G280-R288 WeakPolarHBondContact O-CG 3.39Å; T282-R288 HydrophobicContact CG2-CG 3.73Å; T282-R288 PolarHBondContact O-NE 3.02Å; T282-R288 PolarHBondContact O-NH2 2.95Å; T282-R288 VanDerWaalsContact O-NH2 3.15Å; P285-R288 WeakPolarHBondContact O-CB 3.36Å; P285-R288 PolarHBondContact O-N 3.32Å; P285-R288 VanDerWaalsContact O-N 3.08Å
289	P	95.8	Very high	95.4	Very high	17 Å²	17	47 Å²	47	11%	0.11	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-62.3	164.6	179.9	23.8	-33.5	0	0	0	113.1	M220 L276 S279 T293	M220-P289 WeakPolarHBondContact CE-O 3.42Å; M220-P289 HydrophobicContact CG-CG 4.17Å; M220-P289 WeakPolarHBondContact CG-O 3.39Å; M220-P289 HydrophobicContact SD-CG 4.02Å; L276-P289 HydrophobicContact CD1-CG 4.31Å; S279-P289 WeakPolarHBondContact O-CD 3.1Å; P289-T293 HydrophobicContact CB-CG2 4.1Å
290	S	96	Very high	95.4	Very high	51 Å²	51	48.6 Å²	48.6	36%	0.357	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-83.1	157	165.6	76.4	0	0	0	0	110.3	L292 T293 C294	S290-L292 PolarHBondContact O-N 3.07Å; S290-T293 PolarHBondContact N-OG1 3.27Å; S290-T293 WeakPolarHBondContact O-CA 3.38Å; S290-T293 VanDerWaalsContact O-CB 3.25Å; S290-T293 WeakPolarHBondContact O-CB 3.11Å; S290-T293 PolarHBondContact O-N 2.86Å; S290-T293 PolarHBondContact OG-N 3.22Å; S290-T293 VanDerWaalsContact OG-N 3.07Å; S290-T293 PolarHBondContact OG-OG1 3.47Å; S290-C294 PolarHBondContact O-N 2.92Å; S290-C294 PolarHBondContact O-SG 3.01Å; S290-C294 VanDerWaalsContact O-SG 3.39Å
291	F	97.3	Very high	95.4	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-30.3	174.5	-81.9	-83.1	0	0	0	112.9	A137 V140 N141 H144 D219 M220 Y223 T293 C294 L295	A137-F291 HydrophobicContact CB-CD1 4.14Å; V140-F291 HydrophobicContact CB-CD1 4.07Å; V140-F291 HydrophobicContact CB-CD2 4.19Å; V140-F291 HydrophobicContact CB-CE1 3.83Å; V140-F291 HydrophobicContact CB-CE2 3.99Å; V140-F291 HydrophobicContact CB-CG 4.24Å; V140-F291 HydrophobicContact CB-CZ 3.79Å; V140-F291 HydrophobicContact CG1-CD1 4.43Å; V140-F291 HydrophobicContact CG1-CD2 3.7Å; V140-F291 HydrophobicContact CG1-CE1 4.11Å; V140-F291 HydrophobicContact CG1-CE2 3.32Å; V140-F291 HydrophobicContact CG1-CG 4.24Å; V140-F291 HydrophobicContact CG1-CZ 3.55Å; V140-F291 HydrophobicContact CG2-CE1 4.29Å; V140-F291 HydrophobicContact CG2-CZ 4.22Å; N141-F291 HydrophobicContact CB-CB 3.79Å; H144-F291 AromaticContact CE1-CD2 3.61Å; H144-F291 AromaticContact CE1-CE2 3.61Å; H144-F291 AromaticContact ND1-CD2 3.54Å; D219-F291 HydrophobicContact CB-CE2 3.95Å; D219-F291 HydrophobicContact CB-CZ 4.28Å; M220-F291 HydrophobicContact CB-CE2 4.32Å; M220-F291 HydrophobicContact CE-CB 4.26Å; M220-F291 HydrophobicContact CE-CD1 3.71Å; M220-F291 HydrophobicContact CE-CD2 3.5Å; M220-F291 HydrophobicContact CE-CE1 3.81Å; M220-F291 HydrophobicContact CE-CE2 3.59Å; M220-F291 HydrophobicContact CE-CG 3.56Å; M220-F291 HydrophobicContact CE-CZ 3.75Å; M220-F291 HydrophobicContact SD-CZ 4.45Å; Y223-F291 AromaticContact CD1-CE1 3.73Å; Y223-F291 HydrophobicContact CD1-CE1 3.73Å; Y223-F291 HydrophobicContact CD1-CZ 4.35Å; Y223-F291 HydrophobicContact CD2-CE1 4.19Å; Y223-F291 HydrophobicContact CE1-CE1 4.36Å; Y223-F291 AromaticContact CG-CE1 3.63Å; Y223-F291 HydrophobicContact CG-CE1 3.63Å; Y223-F291 HydrophobicContact CG-CZ 4.07Å; F291-T293 VanDerWaalsContact C-N 3.34Å; F291-C294 PolarHBondContact O-N 3.11Å; F291-L295 VanDerWaalsContact O-CG 3.28Å; F291-L295 WeakPolarHBondContact O-CG 3.32Å; F291-L295 PolarHBondContact O-N 3.47Å
292	L	97.2	Very high	95.4	Very high	101 Å²	101	49.2 Å²	49.2	53%	0.529	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-42.4	169.3	177.7	61.4	0	0	0	111.9	N141 S290 L295 I296	N141-L292 PolarHBondContact OD1-N 3.1Å; S290-L292 PolarHBondContact O-N 3.07Å; L292-L295 PolarHBondContact O-N 3.09Å; L292-I296 HydrophobicContact CD1-CD1 4.37Å; L292-I296 HydrophobicContact CG-CD1 4.23Å; L292-I296 WeakPolarHBondContact O-CG1 3.48Å; L292-I296 PolarHBondContact O-N 3.03Å; L292-I296 VanDerWaalsContact O-N 3.08Å
293	T	96.6	Very high	95.4	Very high	62 Å²	62	55.8 Å²	55.8	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-45.5	173.9	-45.7	0	0	0	0	110.9	P289 S290 F291 L295 I296 E297	P289-T293 HydrophobicContact CB-CG2 4.1Å; S290-T293 PolarHBondContact N-OG1 3.27Å; S290-T293 WeakPolarHBondContact O-CA 3.38Å; S290-T293 VanDerWaalsContact O-CB 3.25Å; S290-T293 WeakPolarHBondContact O-CB 3.11Å; S290-T293 PolarHBondContact O-N 2.86Å; S290-T293 PolarHBondContact OG-N 3.22Å; S290-T293 VanDerWaalsContact OG-N 3.07Å; S290-T293 PolarHBondContact OG-OG1 3.47Å; F291-T293 VanDerWaalsContact C-N 3.34Å; T293-L295 VanDerWaalsContact C-N 3.31Å; T293-L295 PolarHBondContact O-N 3.38Å; T293-I296 PolarHBondContact O-N 3.43Å; T293-E297 PolarHBondContact O-N 2.85Å
294	C	96.4	Very high	95.7	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-36.8	177.8	-59.5	0	0	0	0	112.7	M220 Y223 L276 S290 F291 E297 L298	M220-C294 HydrophobicContact CE-CB 4.44Å; M220-C294 WeakPolarHBondContact CE-SG 3.47Å; Y223-C294 HydrophobicContact CE1-CB 4.5Å; L276-C294 HydrophobicContact CD1-CB 4.28Å; L276-C294 HydrophobicContact CD2-CB 4.29Å; S290-C294 PolarHBondContact O-N 2.92Å; S290-C294 PolarHBondContact O-SG 3.01Å; S290-C294 VanDerWaalsContact O-SG 3.39Å; F291-C294 PolarHBondContact O-N 3.11Å; C294-E297 PolarHBondContact O-N 2.82Å; C294-L298 WeakPolarHBondContact O-CB 3.19Å; C294-L298 WeakPolarHBondContact O-CD1 3.21Å; C294-L298 WeakPolarHBondContact O-CG 3.36Å; C294-L298 PolarHBondContact O-N 3.25Å
295	L	98.3	Very high	95.9	Very high	15 Å²	15	58 Å²	58	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-43.1	175.1	-73.6	166.5	0	0	0	111.8	Y134 A137 L138 N141 F291 L292 T293 E297 L298 E299	Y134-L295 HydrophobicContact CD2-CD2 3.67Å; Y134-L295 HydrophobicContact CE2-CD2 3.45Å; Y134-L295 VanDerWaalsContact CE2-CD2 3.45Å; A137-L295 HydrophobicContact CB-CD2 3.77Å; A137-L295 HydrophobicContact CB-CG 4.13Å; L138-L295 HydrophobicContact CB-CD2 4.48Å; L138-L295 HydrophobicContact CD2-CD1 3.98Å; L138-L295 HydrophobicContact CD2-CD2 3.69Å; L138-L295 HydrophobicContact CG-CD2 3.73Å; N141-L295 HydrophobicContact CB-CD1 3.7Å; F291-L295 VanDerWaalsContact O-CG 3.28Å; F291-L295 WeakPolarHBondContact O-CG 3.32Å; F291-L295 PolarHBondContact O-N 3.47Å; L292-L295 PolarHBondContact O-N 3.09Å; T293-L295 VanDerWaalsContact C-N 3.31Å; T293-L295 PolarHBondContact O-N 3.38Å; L295-E297 VanDerWaalsContact C-N 3.29Å; L295-E297 PolarHBondContact O-N 3.31Å; L295-L298 PolarHBondContact O-N 2.9Å; L295-E299 WeakPolarHBondContact O-CB 3.12Å; L295-E299 PolarHBondContact O-N 2.83Å
296	I	97.9	Very high	96.1	Very high	102 Å²	102	62.7 Å²	62.7	52%	0.523	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-38.1	177.2	-69.1	162.8	0	0	0	111.7	L292 T293 P300	L292-I296 HydrophobicContact CD1-CD1 4.37Å; L292-I296 HydrophobicContact CG-CD1 4.23Å; L292-I296 WeakPolarHBondContact O-CG1 3.48Å; L292-I296 PolarHBondContact O-N 3.03Å; L292-I296 VanDerWaalsContact O-N 3.08Å; T293-I296 PolarHBondContact O-N 3.43Å; I296-P300 WeakPolarHBondContact O-CD 3.31Å
297	E	96.9	Very high	96.3	Very high	85 Å²	85	63.8 Å²	63.8	40%	0.397	31%	0.313	S	S	.	.	H	α-helix	trans	-75.4	-36.7	176.8	-67.3	-62.4	143.6	0	0	113.2	L276 T293 C294 L295 M301	L276-E297 HydrophobicContact CD1-CB 4.5Å; L276-E297 HydrophobicContact CD1-CG 4.41Å; L276-E297 HydrophobicContact CD2-CB 4.01Å; T293-E297 PolarHBondContact O-N 2.85Å; C294-E297 PolarHBondContact O-N 2.82Å; L295-E297 VanDerWaalsContact C-N 3.29Å; L295-E297 PolarHBondContact O-N 3.31Å; E297-M301 VanDerWaalsContact O-CE 3.31Å; E297-M301 WeakPolarHBondContact O-CE 3.44Å
298	L	97.3	Very high	96.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-82.4	-34.2	-176	-71.2	166.1	0	0	0	113.6	Y134 A137 Y223 L273 L276 C294 L295 M301 V302	Y134-L298 HydrophobicContact CD2-CB 4.04Å; A137-L298 HydrophobicContact CB-CD1 4.42Å; Y223-L298 WeakPolarHBondContact OH-CD1 3.49Å; L273-L298 HydrophobicContact CD2-CD2 3.7Å; L276-L298 HydrophobicContact CD2-CD1 4.13Å; L276-L298 HydrophobicContact CD2-CD2 4.15Å; L276-L298 HydrophobicContact CD2-CG 3.83Å; C294-L298 WeakPolarHBondContact O-CB 3.19Å; C294-L298 WeakPolarHBondContact O-CD1 3.21Å; C294-L298 WeakPolarHBondContact O-CG 3.36Å; C294-L298 PolarHBondContact O-N 3.25Å; L295-L298 PolarHBondContact O-N 2.9Å; L298-M301 HydrophobicContact CD2-CE 4.48Å; L298-M301 HydrophobicContact CD2-SD 4.36Å; L298-M301 WeakPolarHBondContact O-CA 3.47Å; L298-M301 VanDerWaalsContact O-CB 3.29Å; L298-M301 WeakPolarHBondContact O-CB 3.45Å; L298-M301 PolarHBondContact O-N 3.44Å; L298-V302 PolarHBondContact O-N 2.87Å; L298-V302 VanDerWaalsContact O-N 3.11Å
299	E	97.3	Very high	96.5	Very high	61 Å²	61	66.3 Å²	66.3	29%	0.285	33%	0.33	S	S	.	.	H	α-helix	trans	-58.3	-42.7	-174.9	-168.1	-170.6	-140.4	0	0	113.2	Y134 L295 M301 V302 R303	Y134-E299 HydrophobicContact CE2-CB 3.82Å; Y134-E299 HydrophobicContact CE2-CG 4.14Å; L295-E299 WeakPolarHBondContact O-CB 3.12Å; L295-E299 PolarHBondContact O-N 2.83Å; E299-M301 PolarHBondContact O-N 3.21Å; E299-V302 PolarHBondContact O-N 3.36Å; E299-R303 WeakPolarHBondContact O-CB 3.31Å; E299-R303 WeakPolarHBondContact O-CG 3.3Å; E299-R303 PolarHBondContact O-N 3.26Å; E299-R303 IonicContact OE1-CZ 3.79Å; E299-R303 IonicContact OE1-NH1 3.85Å; E299-R303 IonicContact OE1-NH2 2.77Å; E299-R303 PolarHBondContact OE1-NH2 3.07Å; E299-R303 IonicContact OE2-CZ 2.87Å; E299-R303 IonicContact OE2-NH1 2.94Å; E299-R303 PolarHBondContact OE2-NH1 3.01Å; E299-R303 IonicContact OE2-NH2 3.51Å; E299-R303 PolarHBondContact OE2-NH2 2.97Å
300	P	97.1	Very high	96.6	Very high	75 Å²	75	66.6 Å²	66.6	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-25.4	172.3	-21.8	34.2	0	0	0	113.8	I296	I296-P300 WeakPolarHBondContact O-CD 3.31Å
301	M	95.9	Very high	96.6	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-75.7	-40.9	177.9	-52.5	-168	-158.3	0	0	111.8	S269 T272 L273 E297 L298 E299 R304	S269-M301 VanDerWaalsContact CB-SD 3.56Å; T272-M301 HydrophobicContact CG2-CE 3.43Å; T272-M301 VanDerWaalsContact CG2-CE 3.43Å; L273-M301 HydrophobicContact CD1-SD 4.29Å; L273-M301 HydrophobicContact CD2-CE 4.03Å; L273-M301 HydrophobicContact CD2-SD 3.72Å; L273-M301 HydrophobicContact CG-CE 4.12Å; L273-M301 HydrophobicContact CG-SD 3.8Å; E297-M301 VanDerWaalsContact O-CE 3.31Å; E297-M301 WeakPolarHBondContact O-CE 3.44Å; L298-M301 HydrophobicContact CD2-CE 4.48Å; L298-M301 HydrophobicContact CD2-SD 4.36Å; L298-M301 WeakPolarHBondContact O-CA 3.47Å; L298-M301 VanDerWaalsContact O-CB 3.29Å; L298-M301 WeakPolarHBondContact O-CB 3.45Å; L298-M301 PolarHBondContact O-N 3.44Å; E299-M301 PolarHBondContact O-N 3.21Å; M301-R304 PolarHBondContact O-NE 2.94Å
302	V	96.4	Very high	96.6	Very high	21 Å²	21	74.8 Å²	74.8	13%	0.127	36%	0.364	C	S	.	.	H	α-helix	trans	-70.1	-40.4	178.5	178.9	0	0	0	0	110.7	L130 Y134 L298 E299 R304 F305 F310	L130-V302 HydrophobicContact CB-CG2 4.34Å; Y134-V302 HydrophobicContact CD1-CG2 4.49Å; Y134-V302 HydrophobicContact CD2-CG2 4.41Å; Y134-V302 HydrophobicContact CG-CG2 4.01Å; L298-V302 PolarHBondContact O-N 2.87Å; L298-V302 VanDerWaalsContact O-N 3.11Å; E299-V302 PolarHBondContact O-N 3.36Å; V302-R304 PolarHBondContact O-N 3.36Å; V302-F305 PolarHBondContact O-N 2.87Å; V302-F305 VanDerWaalsContact O-N 3.13Å; V302-F310 HydrophobicContact CG1-CE1 4.39Å; V302-F310 HydrophobicContact CG1-CZ 3.87Å
303	R	95.8	Very high	96.6	Very high	172 Å²	172	70.1 Å²	70.1	65%	0.649	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-1.5	176.1	-80	-174.2	178.2	123.8	12.2	115.9	E299	E299-R303 WeakPolarHBondContact O-CB 3.31Å; E299-R303 WeakPolarHBondContact O-CG 3.3Å; E299-R303 PolarHBondContact O-N 3.26Å; E299-R303 IonicContact OE1-CZ 3.79Å; E299-R303 IonicContact OE1-NH1 3.85Å; E299-R303 IonicContact OE1-NH2 2.77Å; E299-R303 PolarHBondContact OE1-NH2 3.07Å; E299-R303 IonicContact OE2-CZ 2.87Å; E299-R303 IonicContact OE2-NH1 2.94Å; E299-R303 PolarHBondContact OE2-NH1 3.01Å; E299-R303 IonicContact OE2-NH2 3.51Å; E299-R303 PolarHBondContact OE2-NH2 2.97Å
304	R	95.9	Very high	96.6	Very high	126 Å²	126	67.6 Å²	67.6	48%	0.475	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.2	173	-66.9	-178.8	-61	-155.4	-0.6	113.8	S269 M301 V302	S269-R304 PolarHBondContact OG-NH1 3.21Å; S269-R304 PolarHBondContact OG-NH2 3.28Å; M301-R304 PolarHBondContact O-NE 2.94Å; V302-R304 PolarHBondContact O-N 3.36Å
305	F	96.1	Very high	96.5	Very high	42 Å²	42	71.8 Å²	71.8	18%	0.184	35%	0.347	C	S	.	.	S	Bend	trans	-113.7	135.1	179.9	-58.4	-73.5	0	0	0	109.2	P127 L130 P268 V302 D309 F310	P127-F305 HydrophobicContact CB-CB 4.33Å; P127-F305 HydrophobicContact CB-CD1 4.05Å; P127-F305 HydrophobicContact CB-CD2 4.44Å; P127-F305 HydrophobicContact CB-CE1 4.49Å; P127-F305 HydrophobicContact CB-CG 4.01Å; P127-F305 HydrophobicContact CG-CD1 3.65Å; P127-F305 HydrophobicContact CG-CE1 3.84Å; P127-F305 HydrophobicContact CG-CG 4.13Å; P127-F305 HydrophobicContact CG-CZ 4.5Å; L130-F305 HydrophobicContact CD1-CE2 3.62Å; L130-F305 HydrophobicContact CD1-CZ 4.16Å; P268-F305 HydrophobicContact CG-CZ 4.37Å; V302-F305 PolarHBondContact O-N 2.87Å; V302-F305 VanDerWaalsContact O-N 3.13Å; F305-D309 VanDerWaalsContact CA-OD2 3.27Å; F305-D309 WeakPolarHBondContact CA-OD2 3.42Å; F305-D309 HydrophobicContact CB-CB 3.99Å; F305-D309 HydrophobicContact CD1-CB 4.3Å; F305-F310 HydrophobicContact CB-CE1 4.3Å; F305-F310 HydrophobicContact CB-CE2 3.76Å; F305-F310 HydrophobicContact CB-CZ 3.59Å; F305-F310 HydrophobicContact CG-CZ 4.43Å
306	D	95.2	Very high	96.3	Very high	124 Å²	124	74.5 Å²	74.5	66%	0.663	36%	0.359	S	S	*	.			trans	-79.8	163.5	174.8	-77.3	-40.8	0	0	0	110.3	I308 D309 F310	D306-I308 PolarHBondContact O-N 3.08Å; D306-D309 PolarHBondContact N-OD2 3.27Å; D306-D309 WeakPolarHBondContact O-CB 3.22Å; D306-D309 PolarHBondContact O-N 2.9Å; D306-F310 WeakPolarHBondContact O-CD2 3.44Å
307	E	93.8	Very high	96.2	Very high	156 Å²	156	69.7 Å²	69.7	73%	0.729	34%	0.335	S	S	*	.	H	α-helix	trans	-53.8	-32.6	178.1	-168.7	174.3	-174.9	0	0	112.3	D309 F310 L311	E307-D309 PolarHBondContact O-N 2.85Å; E307-F310 PolarHBondContact O-N 2.93Å; E307-L311 HydrophobicContact CG-CD1 4.15Å; E307-L311 WeakPolarHBondContact O-CG 3.45Å; E307-L311 PolarHBondContact O-N 3.25Å; E307-L311 VanDerWaalsContact O-N 3.1Å
308	I	96.6	Very high	96	Very high	111 Å²	111	69 Å²	69	57%	0.569	33%	0.33	S	S	*	.	H	α-helix	trans	-61.5	-40.1	176.8	-58.9	177.2	0	0	0	111.8	D306 F310 L311 E312	D306-I308 PolarHBondContact O-N 3.08Å; I308-F310 VanDerWaalsContact C-N 3.32Å; I308-F310 PolarHBondContact O-N 3.4Å; I308-L311 PolarHBondContact O-N 3.34Å; I308-E312 HydrophobicContact CG2-CG 4.18Å; I308-E312 WeakPolarHBondContact O-CG 3.37Å; I308-E312 PolarHBondContact O-N 3.04Å
309	D	97.1	Very high	95.7	Very high	62 Å²	62	75.9 Å²	75.9	33%	0.332	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-40.5	-179.5	-69.9	-53.4	0	0	0	111.9	P127 F305 D306 E307 A313	P127-D309 HydrophobicContact CB-CB 4.06Å; P127-D309 HydrophobicContact CG-CB 3.88Å; F305-D309 VanDerWaalsContact CA-OD2 3.27Å; F305-D309 WeakPolarHBondContact CA-OD2 3.42Å; F305-D309 HydrophobicContact CB-CB 3.99Å; F305-D309 HydrophobicContact CD1-CB 4.3Å; D306-D309 PolarHBondContact N-OD2 3.27Å; D306-D309 WeakPolarHBondContact O-CB 3.22Å; D306-D309 PolarHBondContact O-N 2.9Å; E307-D309 PolarHBondContact O-N 2.85Å; D309-A313 WeakPolarHBondContact O-CB 3.25Å; D309-A313 PolarHBondContact O-N 3.3Å; D309-A313 VanDerWaalsContact O-N 3.08Å
310	F	96.5	Very high	95.3	Very high	23 Å²	23	74.4 Å²	74.4	10%	0.101	36%	0.356	C	S	.	.	H	α-helix	trans	-71	-39.9	176.7	-53.2	-79.7	0	0	0	111.3	P127 R131 V302 F305 D306 E307 I308 A313 V314	P127-F310 HydrophobicContact CB-CD1 3.74Å; P127-F310 HydrophobicContact CB-CE1 3.85Å; P127-F310 HydrophobicContact CB-CG 4.4Å; P127-F310 VanDerWaalsContact O-CE1 3.27Å; P127-F310 WeakPolarHBondContact O-CE1 3.44Å; R131-F310 HydrophobicContact CB-CD1 3.89Å; R131-F310 HydrophobicContact CB-CE1 3.8Å; R131-F310 HydrophobicContact CG-CD1 4.34Å; R131-F310 HydrophobicContact CG-CE1 4.38Å; V302-F310 HydrophobicContact CG1-CE1 4.39Å; V302-F310 HydrophobicContact CG1-CZ 3.87Å; F305-F310 HydrophobicContact CB-CE1 4.3Å; F305-F310 HydrophobicContact CB-CE2 3.76Å; F305-F310 HydrophobicContact CB-CZ 3.59Å; F305-F310 HydrophobicContact CG-CZ 4.43Å; D306-F310 WeakPolarHBondContact O-CD2 3.44Å; E307-F310 PolarHBondContact O-N 2.93Å; I308-F310 VanDerWaalsContact C-N 3.32Å; I308-F310 PolarHBondContact O-N 3.4Å; F310-A313 PolarHBondContact O-N 3.36Å; F310-V314 WeakPolarHBondContact O-CB 3.43Å; F310-V314 VanDerWaalsContact O-CG2 3.31Å; F310-V314 WeakPolarHBondContact O-CG2 3.35Å; F310-V314 PolarHBondContact O-N 3Å
311	L	96.7	Very high	94.8	Very high	95 Å²	95	73.3 Å²	73.3	50%	0.497	34%	0.344	S	S	.	.	H	α-helix	trans	-63.9	-42.8	175.9	-71	169.3	0	0	0	111.8	E307 I308 V314 L315	E307-L311 HydrophobicContact CG-CD1 4.15Å; E307-L311 WeakPolarHBondContact O-CG 3.45Å; E307-L311 PolarHBondContact O-N 3.25Å; E307-L311 VanDerWaalsContact O-N 3.1Å; I308-L311 PolarHBondContact O-N 3.34Å; L311-V314 PolarHBondContact O-N 3.21Å; L311-L315 WeakPolarHBondContact O-CB 3.49Å; L311-L315 WeakPolarHBondContact O-CG 3.27Å; L311-L315 PolarHBondContact O-N 3.01Å
312	E	97.3	Very high	94.4	Very high	131 Å²	131	78.8 Å²	78.8	61%	0.612	37%	0.372	S	S	*	.	H	α-helix	trans	-64.9	-42.3	175.8	-73.6	-160.8	173.7	0	0	112.2	I308 V314 L315 Q316	I308-E312 HydrophobicContact CG2-CG 4.18Å; I308-E312 WeakPolarHBondContact O-CG 3.37Å; I308-E312 PolarHBondContact O-N 3.04Å; E312-V314 PolarHBondContact O-N 3.48Å; E312-L315 PolarHBondContact O-N 3.15Å; E312-Q316 WeakPolarHBondContact O-CB 3.47Å; E312-Q316 PolarHBondContact O-N 3.28Å
313	A	96.6	Very high	93.7	Very high	3 Å²	3	81.6 Å²	81.6	3%	0.025	39%	0.393	C	S	.	.	H	α-helix	trans	-59.7	-45.1	174.3	0	0	0	0	0	112.3	A125 L128 D309 F310 Q316 I317	A125-A313 HydrophobicContact CB-CB 3.95Å; L128-A313 HydrophobicContact CB-CB 4Å; D309-A313 WeakPolarHBondContact O-CB 3.25Å; D309-A313 PolarHBondContact O-N 3.3Å; D309-A313 VanDerWaalsContact O-N 3.08Å; F310-A313 PolarHBondContact O-N 3.36Å; A313-Q316 PolarHBondContact O-N 2.77Å; A313-I317 WeakPolarHBondContact O-CG1 3.3Å; A313-I317 PolarHBondContact O-N 3.09Å
314	V	96.5	Very high	92.8	Very high	9 Å²	9	78.4 Å²	78.4	6%	0.055	38%	0.381	C	S	.	.	H	α-helix	trans	-65.2	-41.3	176	168.9	0	0	0	0	111.4	L128 E165 F166 F310 L311 E312 I317 K318	L128-V314 HydrophobicContact CD1-CG2 4.36Å; L128-V314 HydrophobicContact CD2-CG2 4.48Å; E165-V314 WeakPolarHBondContact O-CG2 3.32Å; F166-V314 HydrophobicContact CB-CG2 4.35Å; F166-V314 HydrophobicContact CD2-CG1 4.04Å; F166-V314 HydrophobicContact CD2-CG2 4.44Å; F310-V314 WeakPolarHBondContact O-CB 3.43Å; F310-V314 VanDerWaalsContact O-CG2 3.31Å; F310-V314 WeakPolarHBondContact O-CG2 3.35Å; F310-V314 PolarHBondContact O-N 3Å; L311-V314 PolarHBondContact O-N 3.21Å; E312-V314 PolarHBondContact O-N 3.48Å; V314-I317 PolarHBondContact O-N 2.72Å; V314-K318 HydrophobicContact CG1-CD 3.99Å; V314-K318 HydrophobicContact CG1-CG 4.44Å; V314-K318 WeakPolarHBondContact O-CB 3.43Å; V314-K318 WeakPolarHBondContact O-CG 3.47Å; V314-K318 PolarHBondContact O-N 3.07Å
315	L	95.7	Very high	91.4	Very high	89 Å²	89	75.8 Å²	75.8	47%	0.466	38%	0.382	S	S	.	.	H	α-helix	trans	-66.1	-36.9	176.4	-74.6	169.6	0	0	0	112.4	L311 E312 K318 K319	L311-L315 WeakPolarHBondContact O-CB 3.49Å; L311-L315 WeakPolarHBondContact O-CG 3.27Å; L311-L315 PolarHBondContact O-N 3.01Å; E312-L315 PolarHBondContact O-N 3.15Å; L315-K318 PolarHBondContact O-N 2.98Å; L315-K319 WeakPolarHBondContact O-CB 3.44Å; L315-K319 WeakPolarHBondContact O-CD 3.46Å; L315-K319 WeakPolarHBondContact O-CG 3.48Å; L315-K319 PolarHBondContact O-N 3.32Å
316	Q	94.5	Very high	89.7	Confident	73 Å²	73	77.3 Å²	77.3	34%	0.341	40%	0.398	S	S	.	.	H	α-helix	trans	-59	-47.5	174.1	-173.6	-180	25.3	0	0	110.6	E312 A313 K319 S320	E312-Q316 WeakPolarHBondContact O-CB 3.47Å; E312-Q316 PolarHBondContact O-N 3.28Å; A313-Q316 PolarHBondContact O-N 2.77Å; Q316-K319 PolarHBondContact O-N 2.84Å; Q316-S320 PolarHBondContact O-N 3.26Å; Q316-S320 PolarHBondContact O-OG 2.94Å; Q316-S320 VanDerWaalsContact O-OG 3.11Å
317	I	94.1	Very high	88	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.005	39%	0.387	C	S	.	.	H	α-helix	trans	-66	-45.9	179.2	-68.6	162.4	0	0	0	111.5	L114 Y121 L124 L128 F166 A313 V314 K319 S320 K321	L114-I317 HydrophobicContact CD1-CD1 4.36Å; Y121-I317 HydrophobicContact CD1-CG2 3.75Å; Y121-I317 HydrophobicContact CE1-CG2 3.83Å; L124-I317 HydrophobicContact CD1-CD1 3.72Å; L128-I317 HydrophobicContact CD2-CD1 3.3Å; F166-I317 HydrophobicContact CE1-CG2 3.68Å; F166-I317 HydrophobicContact CE2-CG2 3.89Å; F166-I317 HydrophobicContact CZ-CB 4.42Å; F166-I317 HydrophobicContact CZ-CG2 3.31Å; A313-I317 WeakPolarHBondContact O-CG1 3.3Å; A313-I317 PolarHBondContact O-N 3.09Å; V314-I317 PolarHBondContact O-N 2.72Å; I317-K319 VanDerWaalsContact C-N 3.3Å; I317-K319 PolarHBondContact O-N 3.34Å; I317-S320 PolarHBondContact O-N 2.68Å; I317-K321 WeakPolarHBondContact O-CB 3.37Å; I317-K321 PolarHBondContact O-N 3.48Å
318	K	93.3	Very high	85.8	Confident	71 Å²	71	71.3 Å²	71.3	31%	0.309	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-39	176.4	-72.7	179.8	177.9	-176.7	0	111.9	G164 E165 F166 V314 L315 L322	G164-K318 WeakPolarHBondContact O-CE 3.44Å; G164-K318 PolarHBondContact O-NZ 3.28Å; E165-K318 IonicContact OE1-NZ 2.72Å; E165-K318 PolarHBondContact OE1-NZ 2.84Å; F166-K318 HydrophobicContact CE2-CG 4.09Å; V314-K318 HydrophobicContact CG1-CD 3.99Å; V314-K318 HydrophobicContact CG1-CG 4.44Å; V314-K318 WeakPolarHBondContact O-CB 3.43Å; V314-K318 WeakPolarHBondContact O-CG 3.47Å; V314-K318 PolarHBondContact O-N 3.07Å; L315-K318 PolarHBondContact O-N 2.98Å; K318-L322 WeakPolarHBondContact O-CB 3.37Å; K318-L322 PolarHBondContact O-N 3.38Å; K318-L322 VanDerWaalsContact O-N 3.1Å
319	K	91.6	Very high	83.2	Confident	144 Å²	144	71.9 Å²	71.9	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-63.6	-46.2	172.6	-72.6	164.1	-174.3	171.9	0	112.2	L315 Q316 I317 L322 S323	L315-K319 WeakPolarHBondContact O-CB 3.44Å; L315-K319 WeakPolarHBondContact O-CD 3.46Å; L315-K319 WeakPolarHBondContact O-CG 3.48Å; L315-K319 PolarHBondContact O-N 3.32Å; Q316-K319 PolarHBondContact O-N 2.84Å; I317-K319 VanDerWaalsContact C-N 3.3Å; I317-K319 PolarHBondContact O-N 3.34Å; K319-L322 PolarHBondContact O-N 3.08Å; K319-S323 WeakPolarHBondContact O-CB 3.39Å; K319-S323 PolarHBondContact O-N 2.89Å
320	S	88.8	Confident	80.4	Confident	29 Å²	29	73.2 Å²	73.2	20%	0.203	41%	0.412	C	S	.	.	H	α-helix	trans	-60.7	-46.4	178.6	-64.1	0	0	0	0	112.3	Q316 I317 S323 R324	Q316-S320 PolarHBondContact O-N 3.26Å; Q316-S320 PolarHBondContact O-OG 2.94Å; Q316-S320 VanDerWaalsContact O-OG 3.11Å; I317-S320 PolarHBondContact O-N 2.68Å; S320-S323 PolarHBondContact O-N 3.29Å; S320-R324 PolarHBondContact O-N 2.81Å
321	K	86.4	Confident	77.5	Confident	53 Å²	53	75.8 Å²	75.8	23%	0.23	44%	0.437	C	S	.	.	H	α-helix	trans	-59.3	-50.1	177.3	-169.2	166.3	-175.7	162.6	0	111.4	N108 L120 Y121 I317 R324 S325	N108-K321 PolarHBondContact OD1-NZ 3.27Å; L120-K321 HydrophobicContact CD1-CG 4.27Å; Y121-K321 HydrophobicContact CE1-CD 4.22Å; Y121-K321 PolarHBondContact OH-NZ 2.71Å; I317-K321 WeakPolarHBondContact O-CB 3.37Å; I317-K321 PolarHBondContact O-N 3.48Å; K321-R324 PolarHBondContact O-N 2.9Å; K321-S325 PolarHBondContact O-N 2.85Å; K321-S325 VanDerWaalsContact O-N 3.14Å; K321-S325 PolarHBondContact O-OG 3.05Å
322	L	86.7	Confident	74.4	Confident	119 Å²	119	79.6 Å²	79.6	62%	0.623	45%	0.453	S	S	*	.	H	α-helix	trans	-62.9	-45.3	179.5	-174.8	66	0	0	0	112.7	K318 K319 R324 S325 S326	K318-L322 WeakPolarHBondContact O-CB 3.37Å; K318-L322 PolarHBondContact O-N 3.38Å; K318-L322 VanDerWaalsContact O-N 3.1Å; K319-L322 PolarHBondContact O-N 3.08Å; L322-R324 VanDerWaalsContact C-N 3.31Å; L322-R324 PolarHBondContact O-N 3.12Å; L322-S325 PolarHBondContact O-N 3.39Å; L322-S325 VanDerWaalsContact O-N 3.16Å; L322-S326 PolarHBondContact O-N 2.88Å; L322-S326 PolarHBondContact O-OG 2.87Å
323	S	82.8	Confident	71.4	Confident	81 Å²	81	78.5 Å²	78.5	57%	0.566	46%	0.456	S	S	*	.	H	α-helix	trans	-57.9	-42.7	-179.9	-173.2	0	0	0	0	112	K319 S320 S326 A327	K319-S323 WeakPolarHBondContact O-CB 3.39Å; K319-S323 PolarHBondContact O-N 2.89Å; S320-S323 PolarHBondContact O-N 3.29Å; S323-S326 PolarHBondContact O-N 2.85Å; S323-A327 WeakPolarHBondContact O-CB 3.22Å; S323-A327 PolarHBondContact O-N 3.39Å
324	R	76.3	Confident	68.3	Low	105 Å²	105	84.4 Å²	84.4	40%	0.396	50%	0.495	S	S	.	.	H	α-helix	trans	-69.3	-37.1	176.2	-75.4	-177.1	58.9	109.6	8.6	113.3	E119 L120 S320 K321 L322 A327 C328	E119-R324 VanDerWaalsContact C-NH1 3.33Å; E119-R324 WeakPolarHBondContact O-CD 3.3Å; E119-R324 VanDerWaalsContact O-CZ 3.25Å; E119-R324 PolarHBondContact O-NE 2.94Å; E119-R324 PolarHBondContact O-NH1 2.97Å; E119-R324 IonicContact OE2-CZ 2.61Å; E119-R324 IonicContact OE2-NH1 2.59Å; E119-R324 PolarHBondContact OE2-NH1 2.85Å; E119-R324 IonicContact OE2-NH2 3.91Å; E119-R324 PolarHBondContact OE2-NH2 3.22Å; L120-R324 HydrophobicContact CD1-CB 4.25Å; S320-R324 PolarHBondContact O-N 2.81Å; K321-R324 PolarHBondContact O-N 2.9Å; L322-R324 VanDerWaalsContact C-N 3.31Å; L322-R324 PolarHBondContact O-N 3.12Å; R324-A327 PolarHBondContact O-N 3.35Å; R324-C328 PolarHBondContact O-N 2.8Å; R324-C328 VanDerWaalsContact O-N 3.07Å
325	S	68	Low	64.9	Low	70 Å²	70	92.2 Å²	92.2	49%	0.49	53%	0.533	S	S	.	.	H	α-helix	trans	-60.4	-45.1	172.3	-61.3	0	0	0	0	111.8	K321 L322 C328 C329	K321-S325 PolarHBondContact O-N 2.85Å; K321-S325 VanDerWaalsContact O-N 3.14Å; K321-S325 PolarHBondContact O-OG 3.05Å; L322-S325 PolarHBondContact O-N 3.39Å; L322-S325 VanDerWaalsContact O-N 3.16Å; S325-C328 PolarHBondContact O-N 3.03Å; S325-C329 PolarHBondContact O-N 3.36Å
326	S	59.7	Low	61.6	Low	75 Å²	75	93.7 Å²	93.7	52%	0.524	55%	0.549	S	S	.	.	H	α-helix	trans	-67.1	-38.2	176.3	-62	0	0	0	0	113	L322 S323 C328 C329 S330	L322-S326 PolarHBondContact O-N 2.88Å; L322-S326 PolarHBondContact O-OG 2.87Å; S323-S326 PolarHBondContact O-N 2.85Å; S326-C328 VanDerWaalsContact C-N 3.33Å; S326-C328 PolarHBondContact O-N 2.83Å; S326-C329 PolarHBondContact O-N 3.32Å; S326-S330 PolarHBondContact O-N 3.43Å
327	A	58.9	Low	58.4	Low	51 Å²	51	99.6 Å²	99.6	42%	0.421	57%	0.574	S	S	.	*	H	α-helix	trans	-61.3	-41.1	176.4	0	0	0	0	0	112	S323 R324 C329 S330 A331	S323-A327 WeakPolarHBondContact O-CB 3.22Å; S323-A327 PolarHBondContact O-N 3.39Å; R324-A327 PolarHBondContact O-N 3.35Å; A327-C329 VanDerWaalsContact C-N 3.29Å; A327-C329 PolarHBondContact O-N 3.4Å; A327-S330 PolarHBondContact O-N 3.26Å; A327-S330 PolarHBondContact O-OG 3.01Å; A327-A331 PolarHBondContact O-N 3.07Å
328	C	47.2	Very low	55.2	Low	103 Å²	103	108.8 Å²	108.8	70%	0.696	61%	0.614	S	S	*	*	H	α-helix	trans	-58	-39.7	176.6	-166.6	0	0	0	0	112.2	R324 S325 S326 S330	R324-C328 PolarHBondContact O-N 2.8Å; R324-C328 VanDerWaalsContact O-N 3.07Å; S325-C328 PolarHBondContact O-N 3.03Å; S326-C328 VanDerWaalsContact C-N 3.33Å; S326-C328 PolarHBondContact O-N 2.83Å; C328-S330 PolarHBondContact O-N 2.94Å
329	C	42	Very low	52	Low	123 Å²	123	110.9 Å²	110.9	83%	0.831	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-8.4	175.2	-60.4	0	0	0	0	114.6	S325 S326 A327	S325-C329 PolarHBondContact O-N 3.36Å; S326-C329 PolarHBondContact O-N 3.32Å; A327-C329 VanDerWaalsContact C-N 3.29Å; A327-C329 PolarHBondContact O-N 3.4Å
330	S	38	Very low	48.7	Very low	90 Å²	90	111.2 Å²	111.2	63%	0.629	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-10.5	-179.2	73.9	0	0	0	0	114.3	S326 A327 C328 Q332	S326-S330 PolarHBondContact O-N 3.43Å; A327-S330 PolarHBondContact O-N 3.26Å; A327-S330 PolarHBondContact O-OG 3.01Å; C328-S330 PolarHBondContact O-N 2.94Å; S330-Q332 PolarHBondContact O-N 3.32Å
331	A	35.5	Very low	45.7	Very low	77 Å²	77	119.3 Å²	119.3	64%	0.636	68%	0.68	S	S	*	*			trans	-76	92.2	-179.4	0	0	0	0	0	111.4	A327	A327-A331 PolarHBondContact O-N 3.07Å
332	Q	33.3	Very low	42.8	Very low	175 Å²	175	121.1 Å²	121.1	82%	0.818	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-63	139	167.5	-72.4	-165.3	-17.5	0	0	110.6	S330	S330-Q332 PolarHBondContact O-N 3.32Å
333	P	32.9	Very low	39.9	Very low	107 Å²	107	122.1 Å²	122.1	70%	0.695	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-64.7	144.9	172.5	28.4	-34.4	0	0	0	110.4	M335	P333-M335 PolarHBondContact O-N 2.8Å
334	P	32	Very low	37.1	Very low	127 Å²	127	123.6 Å²	123.6	83%	0.825	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-62.2	129.1	-179.3	25.4	-33.9	0	0	0	110.7	C336	P334-C336 PolarHBondContact O-N 3.16Å; P334-C336 VanDerWaalsContact O-N 3.09Å
335	M	25.8	Very low	34.7	Very low	174 Å²	174	125.5 Å²	125.5	86%	0.857	74%	0.743	S	S	*	*			trans	-61.1	113.2	-176	-70.9	-173.7	70.4	0	0	112	P333 K337	P333-M335 PolarHBondContact O-N 2.8Å; M335-K337 PolarHBondContact O-N 2.9Å
336	C	24.9	Very low	32.7	Very low	120 Å²	120	129.4 Å²	129.4	81%	0.811	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-64.9	132.4	163.8	-166	0	0	0	0	109.3	P334 K338	P334-C336 PolarHBondContact O-N 3.16Å; P334-C336 VanDerWaalsContact O-N 3.09Å; C336-K338 PolarHBondContact O-N 3.44Å
337	K	28.8	Very low	31.2	Very low	197 Å²	197	132.6 Å²	132.6	86%	0.857	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-72.3	125.1	-177	-68.9	179.8	179.5	176.5	0	109.9	M335 S339	M335-K337 PolarHBondContact O-N 2.9Å; K337-S339 PolarHBondContact O-N 3.08Å
338	K	25.9	Very low	29.8	Very low	194 Å²	194	138.3 Å²	138.3	84%	0.843	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-62.5	123.4	173.4	-66.9	-176.6	176.6	-176	0	110.9	C336	C336-K338 PolarHBondContact O-N 3.44Å
339	S	25.7	Very low	28.8	Very low	115 Å²	115	142.5 Å²	142.5	80%	0.804	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-89.1	145.3	140.6	47.7	0	0	0	0	108.4	K337	K337-S339 PolarHBondContact O-N 3.08Å
340	N	23.6	Very low	28.1	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.1	138.7	-179	-62.9	-33.1	0	0	0	110.8
341	E	26.3	Very low	27.8	Very low	200 Å²	200	146.4 Å²	146.4	94%	0.935	81%	0.805	S	S	*	*				-162.1	175.4	122.8	-107.2	164.2	-160.9	0	0	109.2
342	A	24.1	Very low	27.4	Very low	91 Å²	91	148.3 Å²	148.3	75%	0.752	81%	0.809	S	S	*	*			trans	-132.1	169.5	-155.6	0	0	0	0	0	114.5
343	V	25.7	Very low	27	Very low	140 Å²	140	146.2 Å²	146.2	85%	0.848	81%	0.808	S	S	*	*			trans	146.3	122.1	136.1	167.4	0	0	0	0	114.1
344	S	24.8	Very low	27	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	81%	0.807	S	S	*	*			trans	66.8	148.1	152.7	-151	0	0	0	0	123.9
345	L	26	Very low	26.8	Very low	145 Å²	145	151.3 Å²	151.3	76%	0.759	81%	0.811	S	S	*	*			trans	-85.9	161.1	168.5	-80.1	62	0	0	0	112
346	N	25.9	Very low	26.9	Very low	152 Å²	152	149 Å²	149	81%	0.813	81%	0.808	S	S	*	*				-175	163.5	109.8	-89.4	-7.7	0	0	0	112.9
347	D	27.8	Very low	27	Very low	142 Å²	142	150.2 Å²	150.2	76%	0.759	81%	0.806	S	S	*	*			trans	-78.9	162.4	-168	-47.5	-100.5	0	0	0	116.5
348	L	28.6	Very low	26.8	Very low	171 Å²	171	149.9 Å²	149.9	90%	0.895	81%	0.807	S	S	*	*				-176.8	-178.3	114.4	-96	165.9	0	0	0	114.2
349	K	27	Very low	26.8	Very low	192 Å²	192	145.8 Å²	145.8	84%	0.835	81%	0.81	S	S	*	*			trans	-93.6	169.6	-157.8	-68	175.8	174.5	177.4	0	117.3
350	E	26.6	Very low	26.9	Very low	180 Å²	180	145.7 Å²	145.7	84%	0.841	81%	0.809	S	S	*	*			trans	-42.8	170.3	166.7	-55.5	179.8	135.8	0	0	116.5
351	P	32.6	Very low	27	Very low	114 Å²	114	147.7 Å²	147.7	74%	0.74	81%	0.814	S	S	*	*			cis	-147.6	156.9	22.3	41.8	-20.6	0	0	0	121.6
352	V	27.1	Very low	27	Very low	118 Å²	118	142.7 Å²	142.7	72%	0.715	81%	0.807	S	S	*	*			trans	46.3	100.9	134.7	-171.1	0	0	0	0	122.5
353	T	25.5	Very low	26.9	Very low	130 Å²	130	144 Å²	144	80%	0.798	81%	0.809	S	S	*	*			trans	65.7	164.4	148.1	66.1	0	0	0	0	120.3
354	P	33.2	Very low	26.8	Very low	106 Å²	106	144 Å²	144	69%	0.688	81%	0.814	S	S	*	*			cis	-124.6	151.9	-2.6	33.6	-15.5	0	0	0	116.9
355	W	26.1	Very low	26.9	Very low	236 Å²	236	144 Å²	144	89%	0.894	81%	0.813	S	S	*	*			trans	35.8	129.7	157.4	-64.8	74	0	0	0	121.2
356	P	29.6	Very low	26.9	Very low	124 Å²	124	143.9 Å²	143.9	81%	0.805	82%	0.818	S	S	*	*				-134.9	175.3	124.2	38	-27.8	0	0	0	114.3
357	L	26.5	Very low	26.8	Very low	146 Å²	146	143.2 Å²	143.2	76%	0.764	81%	0.814	S	S	*	*			trans	-89.8	168.6	-178.8	-71.7	90.9	0	0	0	113.8
358	E	25	Very low	26.6	Very low	190 Å²	190	146.6 Å²	146.6	89%	0.888	82%	0.818	S	S	*	*			trans	64.2	108.2	157	-74.1	176.7	-175.7	0	0	120.1
359	A	25.7	Very low	26.5	Very low	109 Å²	109	143.5 Å²	143.5	90%	0.901	81%	0.811	S	S	*	*			trans	-153.2	139.1	145.4	0	0	0	0	0	111.7
360	S	26.5	Very low	26.9	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	80%	0.803	S	S	*	*			trans	-80.8	157.9	-165.5	-54	0	0	0	0	117.3
361	Q	26.7	Very low	26.8	Very low	192 Å²	192	139.9 Å²	139.9	90%	0.897	81%	0.805	S	S	*	*			trans	8.3	126.8	143.8	-60.6	173.7	-52.3	0	0	120.1
362	A	25.1	Very low	26.4	Very low	95 Å²	95	141.3 Å²	141.3	79%	0.785	81%	0.807	S	S	*	*				-170.2	164.8	118.5	0	0	0	0	0	108.7
363	C	22.9	Very low	26.5	Very low	120 Å²	120	144.4 Å²	144.4	81%	0.811	81%	0.814	S	S	*	*			cis	-138.7	152.2	2.1	-61.7	0	0	0	0	110
364	C	24.7	Very low	26.5	Very low	139 Å²	139	144.6 Å²	144.6	94%	0.939	81%	0.81	S	S	*	*				-167.2	145.9	125.9	-119.3	0	0	0	0	109.8
365	S	25.2	Very low	26.2	Very low	110 Å²	110	146.3 Å²	146.3	77%	0.769	81%	0.812	S	S	*	*			trans	-139	134.2	-157.5	55.5	0	0	0	0	114.2
366	V	26.4	Very low	26.3	Very low	143 Å²	143	140 Å²	140	87%	0.867	80%	0.804	S	S	*	*			trans	-136.5	96.4	164.5	-173.1	0	0	0	0	111.3
367	L	24.7	Very low	26.2	Very low	139 Å²	139	142.1 Å²	142.1	73%	0.728	81%	0.807	S	S	*	*			trans	18.1	118.3	146.7	-55.6	170.3	0	0	0	121.4
368	Y	23.3	Very low	26.8	Very low	213 Å²	213	141.2 Å²	141.2	84%	0.835	81%	0.81	S	S	*	*			trans	53	151.3	135.7	-68.3	-80.9	0	0	0	121.5
369	S	25.5	Very low	26.8	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	80%	0.804	S	S	*	*			cis	-148.6	172.1	14.6	-123.8	0	0	0	0	112.4
370	P	35.8	Very low	26.9	Very low	103 Å²	103	138 Å²	138	67%	0.669	80%	0.802	S	S	*	*			trans	-111.3	175.9	-154.2	42.6	-38.2	0	0	0	117.3
371	Q	25.1	Very low	26.8	Very low	192 Å²	192	140 Å²	140	90%	0.897	80%	0.803	S	S	*	*			trans	-136.3	157.6	142	-73.6	-161.6	-35.8	0	0	109.9
372	D	24.9	Very low	26.8	Very low	144 Å²	144	138 Å²	138	77%	0.77	80%	0.796	S	S	*	*			trans	-90.7	158.8	-164.1	-54.2	-92.3	0	0	0	115.5
373	E	27.7	Very low	26.8	Very low	183 Å²	183	138.1 Å²	138.1	86%	0.855	79%	0.792	S	S	*	*				-174.9	119.7	111.9	-100	-178.8	-173.7	0	0	114
374	N	26.1	Very low	26.9	Very low	134 Å²	134	139 Å²	139	72%	0.717	79%	0.794	S	S	*	*				15.3	147.7	123.1	-69.3	-43.7	0	0	0	119.6
375	I	27.2	Very low	27	Very low	142 Å²	142	137.8 Å²	137.8	73%	0.728	79%	0.786	S	S	*	*			cis	-165.4	153.9	9.1	-128.2	165.7	0	0	0	113.8
376	S	27.6	Very low	27.8	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	79%	0.79	S	S	*	*			trans	49.9	116.9	150.3	-54.9	0	0	0	0	125.4
377	L	27.4	Very low	27.8	Very low	167 Å²	167	136.4 Å²	136.4	87%	0.874	79%	0.786	S	S	*	*			trans	-73.7	176.9	131.2	-84.3	164.3	0	0	0	110.1
378	P	38.7	Very low	28	Very low	127 Å²	127	135.3 Å²	135.3	83%	0.825	79%	0.79	S	S	*	*			cis	-142.3	-169.8	17.7	43.9	-24.3	0	0	0	116.3
379	G	25.7	Very low	28.1	Very low	73 Å²	73	130.3 Å²	130.3	75%	0.753	79%	0.786	S	S	*	*			trans	-177.9	122.3	163.4	0	0	0	0	0	114.7
380	N	27.1	Very low	28.1	Very low	160 Å²	160	134.3 Å²	134.3	86%	0.856	79%	0.79	S	S	*	*			trans	-100	165	177.3	-75.3	-35.8	0	0	0	112.4
381	L	25.9	Very low	28.5	Very low	154 Å²	154	135.3 Å²	135.3	81%	0.806	80%	0.797	S	S	*	*			trans	162.9	110.3	134.8	-85.1	166.2	0	0	0	109.3
382	I	26.4	Very low	28.6	Very low	148 Å²	148	131.4 Å²	131.4	76%	0.759	79%	0.79	S	S	*	*				70.7	110.7	88.6	-65.5	-173.9	0	0	0	115.9
383	S	23.9	Very low	28.9	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	79%	0.793	S	S	*	*			trans	43.5	129	143	-161.7	0	0	0	0	122.2
384	T	25.3	Very low	29.3	Very low	139 Å²	139	128.4 Å²	128.4	85%	0.853	79%	0.785	S	S	*	*				-177.8	162.1	111.3	25	0	0	0	0	112.8
385	S	27.9	Very low	29.5	Very low	112 Å²	112	126.9 Å²	126.9	78%	0.783	79%	0.785	S	S	*	*			trans	-150.9	147.9	166.9	59.1	0	0	0	0	110.9
386	P	40.7	Very low	29.7	Very low	130 Å²	130	124.7 Å²	124.7	84%	0.844	78%	0.782	S	S	*	*			trans	-144.7	175	136.3	35.3	-18.5	0	0	0	114.9
387	A	27.7	Very low	29.8	Very low	95 Å²	95	128.3 Å²	128.3	79%	0.785	79%	0.785	S	S	*	*			trans	-60.5	163.9	179.1	0	0	0	0	0	113.8
388	S	27.2	Very low	29.9	Very low	116 Å²	116	127.6 Å²	127.6	81%	0.811	78%	0.78	S	S	*	*			cis	-158.2	-160.8	38.1	57.9	0	0	0	0	110.6
389	S	26.7	Very low	29.5	Very low	107 Å²	107	125.7 Å²	125.7	75%	0.748	78%	0.775	S	S	*	*			cis	-156.8	-147.4	21.7	71.2	0	0	0	0	113.9
390	K	26.3	Very low	30.2	Very low	191 Å²	191	127.7 Å²	127.7	83%	0.83	78%	0.775	S	S	*	*			trans	-155.6	167.9	179.4	-95.2	-175.1	-175.7	-180	0	107.2
391	P	43	Very low	30.2	Very low	124 Å²	124	127.2 Å²	127.2	81%	0.805	77%	0.773	S	S	*	*			cis	-118.3	-153.5	24.6	36.3	-15.1	0	0	0	111.5
392	S	27.9	Very low	30.4	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	77%	0.773	S	S	*	*			cis	-153.1	-175	11	66.4	0	0	0	0	113.9
393	L	31.4	Very low	30.4	Very low	158 Å²	158	127 Å²	127	83%	0.827	77%	0.773	S	S	*	*			trans	-160.7	160.9	176.9	-113.1	168.8	0	0	0	107.1
394	P	36.3	Very low	30.6	Very low	106 Å²	106	130.5 Å²	130.5	69%	0.688	78%	0.778	S	S	*	*				-155.3	169.8	78.7	43.2	-23.6	0	0	0	118.1
395	S	29.7	Very low	30.9	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	77%	0.774	S	S	*	*			trans	33.3	139.7	144.5	62.3	0	0	0	0	121.8
396	S	31.1	Very low	30.8	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	78%	0.781	S	S	*	*			cis	-178.6	-165.8	0.5	54.3	0	0	0	0	107.9
397	F	29.3	Very low	30.2	Very low	181 Å²	181	132.7 Å²	132.7	79%	0.794	78%	0.777	S	S	*	*			cis	-165.2	163.3	4.8	-132.8	-28.9	0	0	0	110.4
398	I	30.6	Very low	30.1	Very low	151 Å²	151	136 Å²	136	77%	0.774	78%	0.781	S	S	*	*			trans	68.4	140.6	156.2	-61.4	168.8	0	0	0	118.7
399	A	30.1	Very low	30	Very low	87 Å²	87	138.5 Å²	138.5	72%	0.719	78%	0.777	S	S	*	*			trans	-132.7	161.4	163.9	0	0	0	0	0	108.4
400	P	39.8	Very low	30.4	Very low	115 Å²	115	140.1 Å²	140.1	75%	0.747	78%	0.778	S	S	*	*				-155.9	159	89.1	40.5	-21.5	0	0	0	118.5
401	N	27.4	Very low	30.8	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	78%	0.777	S	S	*	*			trans	36.7	142.9	142.8	-72.7	-7.5	0	0	0	125.6
402	L	28.9	Very low	29.9	Very low	157 Å²	157	136.9 Å²	136.9	82%	0.822	78%	0.777	S	S	*	*			trans	72.3	139.5	161.3	-62.5	157.1	0	0	0	115.1
403	D	26.6	Very low	29.9	Very low	140 Å²	140	140 Å²	140	75%	0.749	78%	0.78	S	S	*	*			cis	-150.9	-167.7	35.6	-139.3	-36.1	0	0	0	114.9
404	H	27.9	Very low	29.7	Very low	173 Å²	173	136.8 Å²	136.8	80%	0.801	77%	0.771	S	S	*	*			trans	-52.2	147.9	-177.5	-92.9	-83.7	0	0	0	118
405	P	31.6	Very low	29.2	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	77%	0.771	S	S	*	*			trans	-91.7	137.9	161.7	34.9	-31.2	0	0	0	113.4
406	Q	27.5	Very low	29.1	Very low	199 Å²	199	139.2 Å²	139.2	93%	0.93	78%	0.776	S	S	*	*			trans	-121.6	160.6	158.2	-97.2	-164.9	-6.3	0	0	111
407	S	27.7	Very low	29.5	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	78%	0.777	S	S	*	*			trans	-52.2	144.6	-172.8	-178.9	0	0	0	0	116.3
408	L	24.3	Very low	29.5	Very low	165 Å²	165	138.4 Å²	138.4	86%	0.864	78%	0.778	S	S	*	*			trans	-155.2	178	143.9	-109.7	168.2	0	0	0	111.3
409	K	25.5	Very low	29.2	Very low	169 Å²	169	134 Å²	134	74%	0.735	77%	0.769	S	S	*	*			trans	-107.3	161.2	-154.3	-62.6	175.3	-179.7	178	0	116.1
410	D	34.7	Very low	29.1	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	77%	0.774	S	S	*	*			trans	18	142.7	142	-40.2	-37.6	0	0	0	120.3
411	P	34.7	Very low	28.5	Very low	127 Å²	127	141.9 Å²	141.9	83%	0.825	78%	0.779	S	S	*	*				-144.6	175.7	97	39.6	-25.5	0	0	0	116.8
412	C	26.1	Very low	28.4	Very low	119 Å²	119	140 Å²	140	80%	0.804	78%	0.778	S	S	*	*			trans	-71.1	-174.5	177	-42.3	0	0	0	0	113.3
413	E	26.5	Very low	28.2	Very low	176 Å²	176	136.6 Å²	136.6	82%	0.822	77%	0.772	S	S	*	*			cis	-149.5	-173.1	8.3	-135.7	-147.6	-76.9	0	0	108
414	S	27.6	Very low	28.2	Very low	91 Å²	91	139.7 Å²	139.7	64%	0.636	78%	0.779	S	S	*	*			cis	-150.7	-161.8	17	61.6	0	0	0	0	109
415	S	24.9	Very low	29	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	78%	0.778	S	S	*	*			cis	-156.8	160.8	10.2	-104.1	0	0	0	0	109.8
416	I	28.9	Very low	28.6	Very low	159 Å²	159	140.1 Å²	140.1	82%	0.815	78%	0.784	S	S	*	*			trans	-147	151.3	170.3	-31.1	176.7	0	0	0	109
417	P	39.4	Very low	28.7	Very low	108 Å²	108	137.6 Å²	137.6	70%	0.701	78%	0.777	S	S	*	*				-139.5	164.7	110.1	13.7	9.1	0	0	0	112.2
418	N	28.2	Very low	28.8	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	77%	0.772	S	S	*	*			cis	-151.9	161.9	-0.3	-93.2	-34.4	0	0	0	107.1
419	G	26	Very low	29.1	Very low	57 Å²	57	135.8 Å²	135.8	59%	0.588	76%	0.759	S	S	*	*			cis	170.3	150.7	-6	0	0	0	0	0	112
420	F	26.6	Very low	29.2	Very low	188 Å²	188	134.4 Å²	134.4	83%	0.825	76%	0.759	S	S	*	*			trans	59.9	124.1	170	-55.2	-83	0	0	0	118.3
421	Q	26.6	Very low	29.1	Very low	180 Å²	180	133 Å²	133	84%	0.841	75%	0.75	S	S	*	*			cis	68.6	138.2	44.1	-63.2	-166.2	7.6	0	0	114.7
422	S	25.5	Very low	29	Very low	112 Å²	112	132.6 Å²	132.6	78%	0.783	75%	0.748	S	S	*	*			cis	-170.8	173	-13.5	-174.1	0	0	0	0	110.4
423	A	25.3	Very low	29.1	Very low	85 Å²	85	132 Å²	132	70%	0.702	74%	0.74	S	S	*	*			trans	106.5	123.7	148.5	0	0	0	0	0	121.8
424	K	26.3	Very low	29.2	Very low	205 Å²	205	134.6 Å²	134.6	89%	0.891	74%	0.743	S	S	*	*			trans	58.3	143.8	148	-71	-174.2	175.2	-178.1	0	121.9
425	P	44.9	Very low	29.5	Very low	121 Å²	121	135.5 Å²	135.5	79%	0.786	75%	0.747	S	S	*	*			trans	-99.5	152.5	173.2	38.6	-33.4	0	0	0	114
426	M	22.6	Very low	29.6	Very low	179 Å²	179	135 Å²	135	88%	0.882	75%	0.748	S	S	*	*			trans	-160.1	168.9	146.6	-111.3	-177.5	79.9	0	0	110.7
427	N	29.5	Very low	29.3	Very low	145 Å²	145	135.6 Å²	135.6	78%	0.775	75%	0.75	S	S	*	*			trans	-85.7	-177.4	-168.5	-67.7	-14.4	0	0	0	114.5
428	D	29.9	Very low	29.4	Very low	126 Å²	126	134.8 Å²	134.8	67%	0.674	74%	0.744	S	S	*	*			trans	127.9	144.3	137.7	-69.8	-13.3	0	0	0	114.5
429	L	31.4	Very low	29.3	Very low	111 Å²	111	133.2 Å²	133.2	58%	0.581	74%	0.74	S	S	*	*			cis	-161.4	153.3	-1.6	-121.7	170.1	0	0	0	112.4	I431	L429-I431 HydrophobicContact CD2-CD1 3.5Å; L429-I431 VanDerWaalsContact CD2-CD1 3.5Å; L429-I431 HydrophobicContact CD2-CG1 3.69Å
430	N	27.5	Very low	29.3	Very low	141 Å²	141	137.7 Å²	137.7	75%	0.754	75%	0.748	S	S	*	*			trans	157.5	122.5	130.1	-82.5	-53.7	0	0	0	110.9
431	I	33.2	Very low	29.2	Very low	110 Å²	110	136.1 Å²	136.1	56%	0.564	74%	0.743	S	S	*	*			cis	79.5	131.4	50	-68.1	-178.5	0	0	0	111.6	L429 V433	L429-I431 HydrophobicContact CD2-CD1 3.5Å; L429-I431 VanDerWaalsContact CD2-CD1 3.5Å; L429-I431 HydrophobicContact CD2-CG1 3.69Å; I431-V433 HydrophobicContact CG1-CG2 4.25Å; I431-V433 HydrophobicContact CG2-CG2 4.03Å
432	P	32.7	Very low	29.2	Very low	120 Å²	120	131.8 Å²	131.8	78%	0.779	74%	0.738	S	S	*	*			cis	-115.1	158.8	28.6	16.4	7.8	0	0	0	116.1
433	V	28.1	Very low	29.2	Very low	105 Å²	105	134.3 Å²	134.3	64%	0.636	74%	0.742	S	S	*	*			cis	81.2	118.9	36.6	176.9	0	0	0	0	111.7	I431	I431-V433 HydrophobicContact CG1-CG2 4.25Å; I431-V433 HydrophobicContact CG2-CG2 4.03Å
434	R	28.7	Very low	29.3	Very low	231 Å²	231	135.4 Å²	135.4	87%	0.872	75%	0.751	S	S	*	*				-175.8	177.9	60.3	-140	158.3	-169.3	-160.9	3.1	110
435	P	34.3	Very low	29.3	Very low	111 Å²	111	130.3 Å²	130.3	72%	0.721	75%	0.748	S	S	*	*				-136	-179.5	-64	44.1	-28.4	0	0	0	117.2
436	A	25.1	Very low	28.5	Very low	86 Å²	86	132 Å²	132	71%	0.711	75%	0.747	S	S	*	*			trans	66.4	135	148.9	0	0	0	0	0	121
437	M	23.4	Very low	28.7	Very low	173 Å²	173	131.1 Å²	131.1	85%	0.852	74%	0.741	S	S	*	*			cis	79.3	149.3	40.1	-70.3	-70.7	-88.1	0	0	114.7
438	P	41.4	Very low	28.6	Very low	91 Å²	91	130.3 Å²	130.3	59%	0.591	74%	0.737	S	S	*	*			cis	-147	-176.8	-11.3	32	-7.4	0	0	0	118.5
439	T	27	Very low	28.4	Very low	120 Å²	120	131.1 Å²	131.1	74%	0.736	74%	0.74	S	S	*	*			trans	73.4	158.3	139.2	38.4	0	0	0	0	125.5
440	M	26.2	Very low	28.2	Very low	151 Å²	151	130.3 Å²	130.3	74%	0.744	74%	0.744	S	S	*	*			trans	77.1	149.2	153.9	-79.7	171.2	93.4	0	0	119
441	E	24.3	Very low	28.2	Very low	156 Å²	156	131.3 Å²	131.3	73%	0.729	75%	0.747	S	S	*	*			cis	-165.6	168.6	-22.3	-141.7	169.2	-135.1	0	0	111.9
442	A	26.6	Very low	27.8	Very low	88 Å²	88	132.2 Å²	132.2	73%	0.727	75%	0.753	S	S	*	*			trans	55.1	146.2	146.7	0	0	0	0	0	124.1
443	D	25.2	Very low	27.6	Very low	165 Å²	165	133.2 Å²	133.2	88%	0.882	75%	0.748	S	S	*	*			trans	-69.3	152.9	168.7	-54	-92.8	0	0	0	114.5
444	A	26.3	Very low	27.6	Very low	108 Å²	108	135.9 Å²	135.9	89%	0.893	75%	0.753	S	S	*	*			trans	-157.8	146.4	138.8	0	0	0	0	0	110.7
445	A	27	Very low	27.6	Very low	98 Å²	98	129.9 Å²	129.9	81%	0.81	75%	0.746	S	S	*	*			trans	-122.2	171.7	-179.5	0	0	0	0	0	112.6
446	M	28.6	Very low	27.5	Very low	158 Å²	158	130.5 Å²	130.5	78%	0.778	75%	0.75	S	S	*	*			trans	119	150.8	137.7	-151.1	-162.9	-61.4	0	0	116.2
447	Q	26.9	Very low	27.7	Very low	160 Å²	160	132.3 Å²	132.3	75%	0.748	75%	0.754	S	S	*	*			trans	80.2	143.5	161.9	-53.3	-171.8	24.7	0	0	117.6
448	N	26.7	Very low	28	Very low	128 Å²	128	132 Å²	132	68%	0.684	76%	0.755	S	S	*	*			cis	-165.2	163.8	-29.7	-121.4	-22.5	0	0	0	111.7
449	L	26.2	Very low	27.5	Very low	143 Å²	143	136.6 Å²	136.6	75%	0.749	77%	0.769	S	S	*	*			trans	53.2	98.8	149.9	-65.1	165.3	0	0	0	120.8
450	S	26.5	Very low	27.8	Very low	94 Å²	94	139.6 Å²	139.6	66%	0.657	77%	0.774	S	S	*	*				22.3	132	125.8	60.7	0	0	0	0	121.8
451	I	26.8	Very low	28.1	Very low	162 Å²	162	137.3 Å²	137.3	83%	0.831	77%	0.773	S	S	*	*				-171.8	128.3	106.2	-96.6	161.4	0	0	0	112.4
452	N	26.1	Very low	28.9	Very low	129 Å²	129	135.2 Å²	135.2	69%	0.69	77%	0.773	S	S	*	*			trans	39.3	149.2	152.9	-144.9	26.5	0	0	0	125.1
453	E	29	Very low	29.7	Very low	141 Å²	141	136.5 Å²	136.5	66%	0.659	77%	0.774	S	S	*	*			trans	62.8	93.9	147.9	-99	174.2	-119.2	0	0	121.6
454	H	28.2	Very low	30.8	Very low	161 Å²	161	134.6 Å²	134.6	75%	0.745	77%	0.774	S	S	*	*				-179	152.4	104.4	-98.6	56.4	0	0	0	112.1
455	S	26.9	Very low	32.7	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	76%	0.755	S	S	*	*			trans	62.6	115	167.8	-57.2	0	0	0	0	118.9
456	P	32.5	Very low	35.1	Very low	124 Å²	124	132 Å²	132	81%	0.805	73%	0.726	S	S	*	*			trans	-72.6	130.6	163.9	30.6	-32.2	0	0	0	110.5	L458	P456-L458 PolarHBondContact O-N 3.34Å
457	P	29.3	Very low	37.8	Very low	124 Å²	124	127.9 Å²	127.9	81%	0.805	71%	0.711	S	S	*	*			trans	-73.9	123.2	177.8	28.9	-33.2	0	0	0	111.1	H459	P457-H459 PolarHBondContact O-N 3.39Å
458	L	29.4	Very low	40.6	Very low	166 Å²	166	120.3 Å²	120.3	87%	0.869	68%	0.675	S	S	*	*			trans	28.8	89.1	158.9	-72.1	164	0	0	0	116.1	P456 Q460	P456-L458 PolarHBondContact O-N 3.34Å; L458-Q460 PolarHBondContact O-N 3.43Å
459	H	32	Very low	43.5	Very low	189 Å²	189	114.6 Å²	114.6	88%	0.875	65%	0.646	S	S	*	*			trans	-51.8	114.9	155.6	-120	-71.8	0	0	0	108.6	P457 S461	P457-H459 PolarHBondContact O-N 3.39Å; H459-S461 PolarHBondContact O-N 2.88Å
460	Q	33.6	Very low	46.4	Very low	182 Å²	182	113.6 Å²	113.6	85%	0.85	64%	0.637	S	S	*	*			trans	-64.9	110.7	165.3	-71.2	-176	-4.7	0	0	107.1	L458	L458-Q460 PolarHBondContact O-N 3.43Å
461	S	31.4	Very low	49.5	Very low	103 Å²	103	110.3 Å²	110.3	72%	0.72	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-60.9	132.6	175.2	49.9	0	0	0	0	109.2	H459	H459-S461 PolarHBondContact O-N 2.88Å
462	P	41.5	Very low	52.5	Low	113 Å²	113	102.8 Å²	102.8	73%	0.734	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-59.4	153.8	173.8	27.4	-34.7	0	0	0	110.1
463	P	42.8	Very low	55.4	Low	115 Å²	115	98.6 Å²	98.6	75%	0.747	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-55.4	144.9	176.5	25	-34.7	0	0	0	110.3	R465	P463-R465 VanDerWaalsContact C-N 3.28Å; P463-R465 PolarHBondContact O-N 3.36Å
464	S	49.8	Very low	58.2	Low	125 Å²	125	96.1 Å²	96.1	87%	0.874	55%	0.55	S	S	*	.			trans	-68.1	79.1	-170.8	55.5	0	0	0	0	112.5
465	R	64.7	Low	61.2	Low	133 Å²	133	91.7 Å²	91.7	50%	0.502	53%	0.527	S	S	.	.			trans	-57.3	136.7	166.4	-75.5	-176.3	169	173.7	-2.2	109.2	P463 A469 H527	P463-R465 VanDerWaalsContact C-N 3.28Å; P463-R465 PolarHBondContact O-N 3.36Å; R465-A469 HydrophobicContact CB-CB 4.17Å; R465-H527 PolarHBondContact NH1-CD2 3.48Å; R465-H527 PolarHBondContact NH2-O 2.94Å
466	G	78.1	Confident	64.3	Low	18 Å²	18	88.8 Å²	88.8	19%	0.186	50%	0.5	C	S	.	.			trans	-67.7	167.7	-178	0	0	0	0	0	113.5	V468 A469 H470 E531	G466-V468 VanDerWaalsContact C-N 3.25Å; G466-V468 PolarHBondContact O-N 3.5Å; G466-A469 PolarHBondContact O-N 2.72Å; G466-H470 PolarHBondContact O-N 2.75Å; G466-E531 VanDerWaalsContact CA-CD 3.49Å; G466-E531 VanDerWaalsContact CA-OE2 3.28Å; G466-E531 WeakPolarHBondContact CA-OE2 3.44Å
467	P	84.9	Confident	67.1	Low	72 Å²	72	86.8 Å²	86.8	47%	0.468	48%	0.48	S	S	.	.	H	α-helix	trans	-57	-34.6	-177.3	22.2	-34.4	0	0	0	113.5	W471 E531 E555	P467-W471 WeakPolarHBondContact O-CB 3.37Å; P467-W471 PolarHBondContact O-N 2.71Å; P467-E531 VanDerWaalsContact CD-OE1 3.31Å; P467-E531 WeakPolarHBondContact CD-OE1 3.21Å; P467-E555 WeakPolarHBondContact CG-OE2 3.34Å
468	V	87.1	Confident	70	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	46%	0.461	C	S	.	.	H	α-helix	trans	-76.1	-43.1	179.8	-175.2	0	0	0	0	111	G466 H470 W471 I472 E531 C534 R535 V538 P553 E555 I556	G466-V468 VanDerWaalsContact C-N 3.25Å; G466-V468 PolarHBondContact O-N 3.5Å; V468-H470 VanDerWaalsContact C-N 3.28Å; V468-H470 PolarHBondContact O-N 3.32Å; V468-W471 PolarHBondContact O-N 3.05Å; V468-I472 WeakPolarHBondContact O-CG1 3.48Å; V468-I472 PolarHBondContact O-N 2.74Å; V468-E531 WeakPolarHBondContact CB-OE1 3.4Å; V468-E531 WeakPolarHBondContact CG2-OE1 3.17Å; V468-E531 PolarHBondContact N-OE1 3.03Å; V468-E531 PolarHBondContact N-OE2 2.75Å; V468-C534 HydrophobicContact CB-CB 4.33Å; V468-C534 HydrophobicContact CG1-CB 3.95Å; V468-R535 HydrophobicContact CB-CG 4.26Å; V468-R535 HydrophobicContact CG1-CG 4.4Å; V468-R535 HydrophobicContact CG2-CG 3.92Å; V468-V538 HydrophobicContact CG1-CB 4.04Å; V468-V538 HydrophobicContact CG1-CG2 3.7Å; V468-P553 HydrophobicContact CG1-CG 4.38Å; V468-P553 HydrophobicContact CG2-CB 3.91Å; V468-P553 HydrophobicContact CG2-CG 4.11Å; V468-E555 WeakPolarHBondContact CG2-OE2 3.27Å; V468-I556 HydrophobicContact CG1-CD1 4.19Å; V468-I556 HydrophobicContact CG2-CD1 4.25Å; V468-I556 HydrophobicContact CG2-CG1 4.33Å
469	A	87.2	Confident	73	Confident	9 Å²	9	76.7 Å²	76.7	7%	0.074	42%	0.42	C	S	.	.	H	α-helix	trans	-58.9	-38.9	172.9	0	0	0	0	0	112.3	R465 G466 A473 E531 C534	R465-A469 HydrophobicContact CB-CB 4.17Å; G466-A469 PolarHBondContact O-N 2.72Å; A469-A473 PolarHBondContact O-N 2.73Å; A469-A473 VanDerWaalsContact O-N 3.12Å; A469-E531 WeakPolarHBondContact CB-OE2 3.25Å; A469-E531 PolarHBondContact N-OE2 2.67Å; A469-C534 HydrophobicContact CB-CB 4.3Å
470	H	87.1	Confident	75.9	Confident	121 Å²	121	67.7 Å²	67.7	56%	0.56	38%	0.378	S	S	*	.	H	α-helix	trans	-67.3	-39.6	174.4	-175.2	81.4	0	0	0	112.8	G466 V468 A473 T474	G466-H470 PolarHBondContact O-N 2.75Å; V468-H470 VanDerWaalsContact C-N 3.28Å; V468-H470 PolarHBondContact O-N 3.32Å; H470-A473 PolarHBondContact O-N 3.15Å; H470-T474 PolarHBondContact O-N 3.39Å; H470-T474 PolarHBondContact O-OG1 3.08Å
471	W	90.3	Very high	78.5	Confident	26 Å²	26	64.7 Å²	64.7	10%	0.098	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-40.1	175.4	-176.6	101.2	0	0	0	112.3	P467 V468 T474 R475 I479 V538 L541 L549 P551 Y552 P553	P467-W471 WeakPolarHBondContact O-CB 3.37Å; P467-W471 PolarHBondContact O-N 2.71Å; V468-W471 PolarHBondContact O-N 3.05Å; W471-T474 WeakPolarHBondContact CA-OG1 3.43Å; W471-T474 PolarHBondContact O-N 3Å; W471-T474 PolarHBondContact O-OG1 2.84Å; W471-R475 PolarHBondContact O-N 3.37Å; W471-R475 VanDerWaalsContact O-N 3.13Å; W471-I479 HydrophobicContact CE3-CD1 4.43Å; W471-I479 HydrophobicContact CZ3-CD1 3.85Å; W471-I479 HydrophobicContact CZ3-CG1 4.42Å; W471-V538 HydrophobicContact CE3-CG1 4.08Å; W471-V538 HydrophobicContact CE3-CG2 3.84Å; W471-V538 HydrophobicContact CH2-CG1 4.04Å; W471-V538 HydrophobicContact CZ3-CB 4.4Å; W471-V538 HydrophobicContact CZ3-CG1 3.68Å; W471-V538 HydrophobicContact CZ3-CG2 3.72Å; W471-L541 HydrophobicContact CZ3-CD1 4.43Å; W471-L549 HydrophobicContact CH2-CB 4.2Å; W471-L549 WeakPolarHBondContact CZ2-O 3.39Å; W471-P551 PolarHBondContact NE1-O 3.39Å; W471-Y552 AromaticContact CH2-CD1 3.56Å; W471-Y552 HydrophobicContact CH2-CD1 3.56Å; W471-Y552 AromaticContact CH2-CE1 3.9Å; W471-Y552 HydrophobicContact CH2-CE1 3.9Å; W471-Y552 AromaticContact CZ2-CD1 3.6Å; W471-Y552 HydrophobicContact CZ2-CD1 3.6Å; W471-Y552 HydrophobicContact CZ2-CE1 4.24Å; W471-Y552 HydrophobicContact CZ2-CG 4.33Å; W471-P553 HydrophobicContact CB-CG 3.75Å; W471-P553 HydrophobicContact CD2-CG 3.8Å; W471-P553 HydrophobicContact CE3-CG 4.36Å; W471-P553 HydrophobicContact CG-CG 3.51Å
472	I	90.4	Very high	81.2	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-48.6	173.3	-67.7	176.4	0	0	0	110.4	V468 T474 R475 R476 I479 L523 C526 C534 V538	V468-I472 WeakPolarHBondContact O-CG1 3.48Å; V468-I472 PolarHBondContact O-N 2.74Å; I472-T474 VanDerWaalsContact C-N 3.31Å; I472-T474 PolarHBondContact O-N 2.75Å; I472-R475 CarbonylContact O-C 3.59Å; I472-R475 PolarHBondContact O-N 3.34Å; I472-R476 WeakPolarHBondContact O-CA 3.26Å; I472-R476 PolarHBondContact O-N 2.86Å; I472-I479 HydrophobicContact CG2-CD1 4.29Å; I472-L523 HydrophobicContact CG2-CD2 3.85Å; I472-C526 HydrophobicContact CD1-CB 4.37Å; I472-C526 HydrophobicContact CG2-CB 4.42Å; I472-C534 HydrophobicContact CD1-CB 3.55Å; I472-V538 HydrophobicContact CD1-CG2 3.72Å; I472-V538 HydrophobicContact CG1-CG2 3.49Å; I472-V538 VanDerWaalsContact CG1-CG2 3.49Å
473	A	87.8	Confident	83.7	Confident	42 Å²	42	57 Å²	57	35%	0.347	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-39.1	-178.1	0	0	0	0	0	112.5	A469 H470	A469-A473 PolarHBondContact O-N 2.73Å; A469-A473 VanDerWaalsContact O-N 3.12Å; H470-A473 PolarHBondContact O-N 3.15Å
474	T	88	Confident	86	Confident	89 Å²	89	54.1 Å²	54.1	55%	0.546	29%	0.291	S	S	.	.	H	α-helix	trans	-77.7	-19.2	-180	48.8	0	0	0	0	114.4	H470 W471 I472	H470-T474 PolarHBondContact O-N 3.39Å; H470-T474 PolarHBondContact O-OG1 3.08Å; W471-T474 WeakPolarHBondContact CA-OG1 3.43Å; W471-T474 PolarHBondContact O-N 3Å; W471-T474 PolarHBondContact O-OG1 2.84Å; I472-T474 VanDerWaalsContact C-N 3.31Å; I472-T474 PolarHBondContact O-N 2.75Å
475	R	89.9	Confident	88	Confident	67 Å²	67	52.4 Å²	52.4	25%	0.253	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	17.2	178.3	-66.1	-174.9	173.7	-129	-17.6	114	W471 I472 E477 D478 I479 L549 K550	W471-R475 PolarHBondContact O-N 3.37Å; W471-R475 VanDerWaalsContact O-N 3.13Å; I472-R475 CarbonylContact O-C 3.59Å; I472-R475 PolarHBondContact O-N 3.34Å; R475-E477 PolarHBondContact O-N 3.28Å; R475-D478 WeakPolarHBondContact O-CB 3.29Å; R475-D478 PolarHBondContact O-N 3.42Å; R475-D478 VanDerWaalsContact O-N 3.15Å; R475-I479 HydrophobicContact CB-CD1 4.23Å; R475-I479 HydrophobicContact CB-CG1 4.42Å; R475-I479 WeakPolarHBondContact O-CG1 3.46Å; R475-I479 PolarHBondContact O-N 3.34Å; R475-L549 PolarHBondContact NH1-O 2.97Å; R475-K550 VanDerWaalsContact NH1-C 3.32Å; R475-K550 PolarHBondContact NH1-O 3.2Å
476	R	92.3	Very high	89.2	Confident	43 Å²	43	48.7 Å²	48.7	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-51.5	-49.7	-168.4	-178.9	176.4	166.6	114.6	-4.9	113.9	I472 I479 V480 R520 L523 D524 H527	I472-R476 WeakPolarHBondContact O-CA 3.26Å; I472-R476 PolarHBondContact O-N 2.86Å; R476-I479 PolarHBondContact O-N 2.87Å; R476-V480 VanDerWaalsContact O-CG2 3.29Å; R476-V480 WeakPolarHBondContact O-CG2 3.33Å; R476-V480 PolarHBondContact O-N 2.72Å; R476-R520 PolarHBondContact NH2-O 3.23Å; R476-L523 HydrophobicContact CG-CD1 3.87Å; R476-L523 VanDerWaalsContact NH1-C 3.3Å; R476-L523 PolarHBondContact NH1-O 2.74Å; R476-D524 IonicContact CZ-OD1 3.9Å; R476-D524 VanDerWaalsContact CZ-OD1 3.24Å; R476-D524 IonicContact CZ-OD2 3.94Å; R476-D524 IonicContact NH1-OD1 3.09Å; R476-D524 PolarHBondContact NH1-OD1 2.95Å; R476-D524 IonicContact NH1-OD2 2.72Å; R476-D524 IonicContact NH2-OD1 2.83Å; R476-D524 PolarHBondContact NH2-OD1 2.71Å; R476-D524 IonicContact NH2-OD2 2.68Å; R476-D524 PolarHBondContact NH2-OD2 2.82Å; R476-H527 PolarHBondContact NH1-CE1 3.01Å
477	E	91.4	Very high	89.9	Confident	82 Å²	82	47.9 Å²	47.9	38%	0.383	26%	0.258	S	S	.	.	H	α-helix	trans	-75	-31.3	-176.5	-66.2	-61.8	124.5	0	0	112.7	R475 I479 V480 L481 R520	R475-E477 PolarHBondContact O-N 3.28Å; E477-I479 VanDerWaalsContact C-N 3.32Å; E477-I479 PolarHBondContact O-N 3.38Å; E477-V480 PolarHBondContact O-N 2.94Å; E477-L481 WeakPolarHBondContact O-CB 3.31Å; E477-L481 VanDerWaalsContact O-CG 3.3Å; E477-L481 WeakPolarHBondContact O-CG 3.24Å; E477-L481 PolarHBondContact O-N 3.45Å; E477-R520 IonicContact OE1-CZ 3.32Å; E477-R520 IonicContact OE1-NE 3.67Å; E477-R520 PolarHBondContact OE1-NE 3.11Å; E477-R520 VanDerWaalsContact OE1-NE 3.09Å; E477-R520 IonicContact OE1-NH2 3.4Å; E477-R520 IonicContact OE2-CZ 3.54Å; E477-R520 IonicContact OE2-NE 2.69Å; E477-R520 PolarHBondContact OE2-NE 2.95Å; E477-R520 IonicContact OE2-NH2 2.73Å; E477-R520 PolarHBondContact OE2-NH2 3.24Å
478	D	89.7	Confident	90.3	Very high	79 Å²	79	44.5 Å²	44.5	42%	0.422	24%	0.236	S	C	.	.	H	α-helix	trans	-61.8	-42.1	170.2	-62.2	-51.9	0	0	0	111.1	R475 L481 Q482 L549	R475-D478 WeakPolarHBondContact O-CB 3.29Å; R475-D478 PolarHBondContact O-N 3.42Å; R475-D478 VanDerWaalsContact O-N 3.15Å; D478-L481 PolarHBondContact O-N 3.23Å; D478-Q482 WeakPolarHBondContact O-CB 3.35Å; D478-Q482 WeakPolarHBondContact O-CG 3.38Å; D478-Q482 PolarHBondContact O-N 2.82Å; D478-L549 HydrophobicContact CB-CD2 3.68Å
479	I	92.1	Very high	90.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-44.7	176	-61.8	162.6	0	0	0	110	W471 I472 R475 R476 E477 L481 Q482 M483 V519 L523 L541 L549	W471-I479 HydrophobicContact CE3-CD1 4.43Å; W471-I479 HydrophobicContact CZ3-CD1 3.85Å; W471-I479 HydrophobicContact CZ3-CG1 4.42Å; I472-I479 HydrophobicContact CG2-CD1 4.29Å; R475-I479 HydrophobicContact CB-CD1 4.23Å; R475-I479 HydrophobicContact CB-CG1 4.42Å; R475-I479 WeakPolarHBondContact O-CG1 3.46Å; R475-I479 PolarHBondContact O-N 3.34Å; R476-I479 PolarHBondContact O-N 2.87Å; E477-I479 VanDerWaalsContact C-N 3.32Å; E477-I479 PolarHBondContact O-N 3.38Å; I479-L481 VanDerWaalsContact C-N 3.32Å; I479-L481 PolarHBondContact O-N 3.32Å; I479-Q482 PolarHBondContact O-N 2.7Å; I479-M483 HydrophobicContact CG2-CB 4.35Å; I479-M483 HydrophobicContact CG2-SD 4.42Å; I479-M483 WeakPolarHBondContact O-CB 3.4Å; I479-M483 PolarHBondContact O-N 3.37Å; I479-V519 HydrophobicContact CG2-CG1 4.4Å; I479-L523 HydrophobicContact CB-CD1 4Å; I479-L523 HydrophobicContact CG2-CD1 3.83Å; I479-L523 HydrophobicContact CG2-CD2 4.32Å; I479-L541 HydrophobicContact CD1-CD1 4.37Å; I479-L541 HydrophobicContact CG1-CD1 4.15Å; I479-L541 HydrophobicContact CG2-CD1 3.81Å; I479-L541 HydrophobicContact CG2-CD2 4.19Å; I479-L549 HydrophobicContact CG1-CD1 4.08Å; I479-L549 HydrophobicContact CG1-CD2 3.98Å
480	V	93.7	Very high	90.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-39.7	177.3	172.8	0	0	0	0	112.3	R476 E477 R515 T516 V519 R520 L523	R476-V480 VanDerWaalsContact O-CG2 3.29Å; R476-V480 WeakPolarHBondContact O-CG2 3.33Å; R476-V480 PolarHBondContact O-N 2.72Å; E477-V480 PolarHBondContact O-N 2.94Å; V480-R515 PolarHBondContact O-NH2 3.08Å; V480-T516 HydrophobicContact CG1-CG2 3.86Å; V480-V519 HydrophobicContact CB-CG1 4.4Å; V480-V519 HydrophobicContact CG2-CB 4.49Å; V480-V519 HydrophobicContact CG2-CG1 3.95Å; V480-R520 HydrophobicContact CB-CG 4.41Å; V480-R520 HydrophobicContact CG1-CG 4.05Å; V480-R520 HydrophobicContact CG2-CG 3.44Å; V480-R520 VanDerWaalsContact CG2-CG 3.44Å; V480-L523 HydrophobicContact CG2-CD1 4.02Å
481	L	88	Confident	91.2	Very high	118 Å²	118	45 Å²	45	62%	0.618	24%	0.239	S	C	*	.	H	α-helix	trans	-72.8	-40.2	179	-71.4	171.3	0	0	0	112.7	E477 D478 I479 R515	E477-L481 WeakPolarHBondContact O-CB 3.31Å; E477-L481 VanDerWaalsContact O-CG 3.3Å; E477-L481 WeakPolarHBondContact O-CG 3.24Å; E477-L481 PolarHBondContact O-N 3.45Å; D478-L481 PolarHBondContact O-N 3.23Å; I479-L481 VanDerWaalsContact C-N 3.32Å; I479-L481 PolarHBondContact O-N 3.32Å; L481-R515 VanDerWaalsContact C-NH2 3.33Å; L481-R515 PolarHBondContact O-NH2 2.78Å
482	Q	89.2	Confident	91.4	Very high	56 Å²	56	43.9 Å²	43.9	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-87.2	-44.5	-174.8	-64.8	-175.9	53.6	0	0	113.2	D478 I479 T484 Q546 G548 L549	D478-Q482 WeakPolarHBondContact O-CB 3.35Å; D478-Q482 WeakPolarHBondContact O-CG 3.38Å; D478-Q482 PolarHBondContact O-N 2.82Å; I479-Q482 PolarHBondContact O-N 2.7Å; Q482-T484 PolarHBondContact O-N 3.05Å; Q482-T484 VanDerWaalsContact O-N 3.13Å; Q482-Q546 PolarHBondContact O-OE1 2.83Å; Q482-G548 VanDerWaalsContact NE2-C 3.32Å; Q482-G548 PolarHBondContact NE2-O 3.44Å; Q482-G548 VanDerWaalsContact NE2-O 3.16Å; Q482-L549 HydrophobicContact CB-CD2 4.4Å; Q482-L549 HydrophobicContact CB-CG 4.35Å; Q482-L549 HydrophobicContact CG-CD2 4.42Å
483	M	92.8	Very high	91.4	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.			trans	-54	116.8	-170.4	-171.2	179.5	-150	0	0	112.6	I479 C487 L488 S491 R515 V519 L522 V537 L541	I479-M483 HydrophobicContact CG2-CB 4.35Å; I479-M483 HydrophobicContact CG2-SD 4.42Å; I479-M483 WeakPolarHBondContact O-CB 3.4Å; I479-M483 PolarHBondContact O-N 3.37Å; M483-C487 HydrophobicContact CG-CB 4.08Å; M483-L488 HydrophobicContact SD-CB 4.5Å; M483-S491 VanDerWaalsContact CE-OG 3.27Å; M483-S491 WeakPolarHBondContact CE-OG 3.26Å; M483-R515 WeakPolarHBondContact O-CD 2.88Å; M483-R515 PolarHBondContact O-NE 2.96Å; M483-R515 PolarHBondContact O-NH2 2.92Å; M483-V519 HydrophobicContact CB-CG1 4.27Å; M483-V519 HydrophobicContact CB-CG2 4.15Å; M483-V519 HydrophobicContact CG-CG2 4.17Å; M483-V519 HydrophobicContact SD-CB 4.4Å; M483-V519 HydrophobicContact SD-CG1 3.69Å; M483-V519 HydrophobicContact SD-CG2 3.8Å; M483-L522 HydrophobicContact CE-CD2 4.27Å; M483-V537 HydrophobicContact CE-CG1 4.41Å; M483-L541 HydrophobicContact CB-CD2 3.98Å; M483-L541 HydrophobicContact CE-CD2 4.02Å; M483-L541 HydrophobicContact CG-CD2 3.78Å; M483-L541 HydrophobicContact SD-CD2 4.17Å
484	T	92.8	Very high	91.6	Very high	54 Å²	54	46.7 Å²	46.7	33%	0.331	25%	0.247	S	C	.	.			trans	-73.5	157.8	178.7	62.7	0	0	0	0	111.7	Q482 A486 C487 L488	Q482-T484 PolarHBondContact O-N 3.05Å; Q482-T484 VanDerWaalsContact O-N 3.13Å; T484-A486 VanDerWaalsContact C-N 3.26Å; T484-A486 PolarHBondContact O-N 2.94Å; T484-C487 PolarHBondContact O-N 2.88Å; T484-C487 VanDerWaalsContact O-N 3.12Å; T484-C487 VanDerWaalsContact OG1-CB 3.3Å; T484-C487 WeakPolarHBondContact OG1-CB 3.19Å; T484-C487 PolarHBondContact OG1-N 3.2Å; T484-L488 PolarHBondContact O-N 3.11Å
485	E	90.1	Very high	91.8	Very high	88 Å²	88	42.5 Å²	42.5	41%	0.411	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-30.8	177.6	-167.8	153.3	-144.5	0	0	112.2	L488 N489 R515 K518	E485-L488 PolarHBondContact O-N 2.95Å; E485-N489 PolarHBondContact O-N 2.96Å; E485-N489 PolarHBondContact O-OD1 3.13Å; E485-R515 HydrophobicContact CB-CG 4.26Å; E485-K518 IonicContact OE1-NZ 3.55Å; E485-K518 PolarHBondContact OE1-NZ 2.79Å
486	A	89.9	Confident	91.8	Very high	56 Å²	56	42.3 Å²	42.3	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-63.3	-43.4	170	0	0	0	0	0	112.5	T484 Q490	T484-A486 VanDerWaalsContact C-N 3.26Å; T484-A486 PolarHBondContact O-N 2.94Å; A486-Q490 WeakPolarHBondContact O-CB 3.46Å; A486-Q490 VanDerWaalsContact O-CG 3.24Å; A486-Q490 WeakPolarHBondContact O-CG 3.49Å; A486-Q490 PolarHBondContact O-N 3.1Å
487	C	93.2	Very high	91.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.7	-34	176.5	-174.3	0	0	0	0	112.7	M483 T484 S491 K540 N544	M483-C487 HydrophobicContact CG-CB 4.08Å; T484-C487 PolarHBondContact O-N 2.88Å; T484-C487 VanDerWaalsContact O-N 3.12Å; T484-C487 VanDerWaalsContact OG1-CB 3.3Å; T484-C487 WeakPolarHBondContact OG1-CB 3.19Å; T484-C487 PolarHBondContact OG1-N 3.2Å; C487-S491 WeakPolarHBondContact O-CB 3.47Å; C487-S491 PolarHBondContact O-N 3.45Å; C487-S491 VanDerWaalsContact O-N 3.08Å; C487-S491 PolarHBondContact O-OG 3.45Å; C487-K540 VanDerWaalsContact SG-C 3.59Å; C487-K540 PolarHBondContact SG-O 3.09Å; C487-K540 VanDerWaalsContact SG-O 3.35Å; C487-N544 HydrophobicContact CB-CB 3.79Å
488	L	94.1	Very high	91.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-54.1	173.8	171	64.4	0	0	0	110.4	M483 T484 E485 Q490 S491 L492 V509 K518 V519 L522	M483-L488 HydrophobicContact SD-CB 4.5Å; T484-L488 PolarHBondContact O-N 3.11Å; E485-L488 PolarHBondContact O-N 2.95Å; L488-Q490 PolarHBondContact O-N 3.01Å; L488-S491 WeakPolarHBondContact O-CB 3.5Å; L488-S491 PolarHBondContact O-N 3.3Å; L488-L492 HydrophobicContact CD1-CD1 4.13Å; L488-L492 HydrophobicContact CD1-CG 4.32Å; L488-L492 HydrophobicContact CG-CD1 4.2Å; L488-L492 WeakPolarHBondContact O-CG 3.3Å; L488-L492 PolarHBondContact O-N 2.87Å; L488-V509 HydrophobicContact CD1-CG1 4.49Å; L488-K518 HydrophobicContact CD2-CB 3.52Å; L488-K518 HydrophobicContact CD2-CD 3.77Å; L488-K518 HydrophobicContact CD2-CG 4.29Å; L488-V519 HydrophobicContact CD1-CG2 4.2Å; L488-V519 HydrophobicContact CD2-CG2 4.23Å; L488-L522 HydrophobicContact CD1-CB 4.38Å; L488-L522 HydrophobicContact CD1-CD2 3.68Å
489	N	93.3	Very high	91.3	Very high	72 Å²	72	48.5 Å²	48.5	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-48.3	-179	-64.6	-3.4	0	0	0	110.6	E485 S491 L492 D493	E485-N489 PolarHBondContact O-N 2.96Å; E485-N489 PolarHBondContact O-OD1 3.13Å; N489-S491 PolarHBondContact O-N 3.22Å; N489-S491 VanDerWaalsContact O-N 3.13Å; N489-L492 CarbonylContact O-C 3.57Å; N489-L492 WeakPolarHBondContact O-CA 3.39Å; N489-L492 WeakPolarHBondContact O-CB 3.5Å; N489-L492 PolarHBondContact O-N 2.84Å; N489-D493 PolarHBondContact O-N 3.07Å; N489-D493 VanDerWaalsContact O-OD2 3.11Å
490	Q	93.7	Very high	91	Very high	68 Å²	68	51 Å²	51	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-26.9	175.3	-70.7	171.7	36.1	0	0	114.4	A486 L488 A494 K540 N544	A486-Q490 WeakPolarHBondContact O-CB 3.46Å; A486-Q490 VanDerWaalsContact O-CG 3.24Å; A486-Q490 WeakPolarHBondContact O-CG 3.49Å; A486-Q490 PolarHBondContact O-N 3.1Å; L488-Q490 PolarHBondContact O-N 3.01Å; Q490-A494 WeakPolarHBondContact O-CB 3.37Å; Q490-A494 PolarHBondContact O-N 2.89Å; Q490-K540 HydrophobicContact CB-CD 4.14Å; Q490-K540 WeakPolarHBondContact O-CE 3.32Å; Q490-N544 PolarHBondContact NE2-OD1 2.55Å; Q490-N544 PolarHBondContact OE1-ND2 3.14Å; Q490-N544 PolarHBondContact OE1-OD1 2.93Å
491	S	93.4	Very high	90.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-71.7	-46.6	170.8	-63.8	0	0	0	0	111.1	M483 C487 L488 N489 A494 L495 K540	M483-S491 VanDerWaalsContact CE-OG 3.27Å; M483-S491 WeakPolarHBondContact CE-OG 3.26Å; C487-S491 WeakPolarHBondContact O-CB 3.47Å; C487-S491 PolarHBondContact O-N 3.45Å; C487-S491 VanDerWaalsContact O-N 3.08Å; C487-S491 PolarHBondContact O-OG 3.45Å; L488-S491 WeakPolarHBondContact O-CB 3.5Å; L488-S491 PolarHBondContact O-N 3.3Å; N489-S491 PolarHBondContact O-N 3.22Å; N489-S491 VanDerWaalsContact O-N 3.13Å; S491-A494 PolarHBondContact O-N 3.47Å; S491-L495 WeakPolarHBondContact O-CB 3.36Å; S491-L495 WeakPolarHBondContact O-CD1 3.46Å; S491-L495 WeakPolarHBondContact O-CG 3.41Å; S491-L495 PolarHBondContact O-N 3.24Å; S491-K540 WeakPolarHBondContact OG-CB 3.3Å
492	L	93	Very high	90.6	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-47	178.4	-62.4	171	0	0	0	111.2	L488 N489 A494 L495 L496 L501 Y506 V509 V510 L522	L488-L492 HydrophobicContact CD1-CD1 4.13Å; L488-L492 HydrophobicContact CD1-CG 4.32Å; L488-L492 HydrophobicContact CG-CD1 4.2Å; L488-L492 WeakPolarHBondContact O-CG 3.3Å; L488-L492 PolarHBondContact O-N 2.87Å; N489-L492 CarbonylContact O-C 3.57Å; N489-L492 WeakPolarHBondContact O-CA 3.39Å; N489-L492 WeakPolarHBondContact O-CB 3.5Å; N489-L492 PolarHBondContact O-N 2.84Å; L492-A494 VanDerWaalsContact C-N 3.34Å; L492-A494 PolarHBondContact O-N 3.01Å; L492-L495 PolarHBondContact O-N 2.73Å; L492-L495 VanDerWaalsContact O-N 3.17Å; L492-L496 WeakPolarHBondContact O-CB 3.39Å; L492-L496 WeakPolarHBondContact O-CG 3.25Å; L492-L496 PolarHBondContact O-N 3.39Å; L492-L501 HydrophobicContact CD2-CD2 3.52Å; L492-Y506 HydrophobicContact CB-CD2 4.12Å; L492-Y506 HydrophobicContact CB-CE2 3.95Å; L492-Y506 HydrophobicContact CD1-CD2 4.32Å; L492-Y506 HydrophobicContact CD1-CE2 4.06Å; L492-Y506 HydrophobicContact CD2-CD2 4.29Å; L492-Y506 HydrophobicContact CG-CD2 4.47Å; L492-Y506 HydrophobicContact CG-CE2 4.47Å; L492-V509 HydrophobicContact CD1-CG1 3.88Å; L492-V509 HydrophobicContact CD2-CB 4.4Å; L492-V509 HydrophobicContact CD2-CG1 3.99Å; L492-V509 HydrophobicContact CD2-CG2 4.5Å; L492-V510 HydrophobicContact CD1-CG2 4.37Å; L492-L522 HydrophobicContact CD2-CD1 4.01Å; L492-L522 HydrophobicContact CD2-CD2 4.41Å
493	D	91.7	Very high	90.2	Very high	88 Å²	88	56.3 Å²	56.3	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-57.4	-45.8	176.3	-57.9	-31.5	0	0	0	111.2	N489 L495 L496 A497	N489-D493 PolarHBondContact O-N 3.07Å; N489-D493 VanDerWaalsContact O-OD2 3.11Å; D493-L495 VanDerWaalsContact C-N 3.28Å; D493-L495 PolarHBondContact O-N 2.92Å; D493-L496 PolarHBondContact O-N 3.31Å; D493-A497 WeakPolarHBondContact O-CB 3.4Å; D493-A497 PolarHBondContact O-N 3.01Å
494	A	91.6	Very high	89.9	Confident	16 Å²	16	61.8 Å²	61.8	13%	0.132	33%	0.328	C	S	.	.	H	α-helix	trans	-73.7	-14.5	-179.3	0	0	0	0	0	114.8	Q490 S491 L492 R498 I536	Q490-A494 WeakPolarHBondContact O-CB 3.37Å; Q490-A494 PolarHBondContact O-N 2.89Å; S491-A494 PolarHBondContact O-N 3.47Å; L492-A494 VanDerWaalsContact C-N 3.34Å; L492-A494 PolarHBondContact O-N 3.01Å; A494-R498 PolarHBondContact O-NH1 3.4Å; A494-I536 HydrophobicContact CB-CG2 3.89Å
495	L	92.4	Very high	89.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-91.2	-43.1	172.3	-71.1	165.9	0	0	0	111.1	S491 L492 D493 R498 S499 M500 L501 L522 F533 I536 V537	S491-L495 WeakPolarHBondContact O-CB 3.36Å; S491-L495 WeakPolarHBondContact O-CD1 3.46Å; S491-L495 WeakPolarHBondContact O-CG 3.41Å; S491-L495 PolarHBondContact O-N 3.24Å; L492-L495 PolarHBondContact O-N 2.73Å; L492-L495 VanDerWaalsContact O-N 3.17Å; D493-L495 VanDerWaalsContact C-N 3.28Å; D493-L495 PolarHBondContact O-N 2.92Å; L495-R498 CarbonylContact O-C 3.5Å; L495-R498 PolarHBondContact O-N 3.08Å; L495-S499 PolarHBondContact O-N 2.89Å; L495-M500 HydrophobicContact CD2-CB 4Å; L495-M500 PolarHBondContact O-N 2.78Å; L495-L501 HydrophobicContact CB-CB 3.84Å; L495-L522 HydrophobicContact CD1-CD1 3.86Å; L495-F533 HydrophobicContact CD1-CD1 4.44Å; L495-F533 HydrophobicContact CD1-CD2 4.42Å; L495-F533 HydrophobicContact CD1-CE1 3.86Å; L495-F533 HydrophobicContact CD1-CE2 3.84Å; L495-F533 HydrophobicContact CD1-CZ 3.53Å; L495-F533 HydrophobicContact CD2-CB 4.47Å; L495-F533 HydrophobicContact CD2-CD1 4.26Å; L495-F533 HydrophobicContact CD2-CD2 3.61Å; L495-F533 HydrophobicContact CD2-CE1 4.43Å; L495-F533 HydrophobicContact CD2-CE2 3.82Å; L495-F533 HydrophobicContact CD2-CG 3.84Å; L495-F533 HydrophobicContact CD2-CZ 4.24Å; L495-F533 HydrophobicContact CG-CE2 4.35Å; L495-F533 HydrophobicContact CG-CZ 4.48Å; L495-I536 HydrophobicContact CD2-CB 4.02Å; L495-I536 HydrophobicContact CD2-CD1 3.88Å; L495-I536 HydrophobicContact CD2-CG2 3.93Å; L495-I536 HydrophobicContact CG-CG2 4.01Å; L495-V537 HydrophobicContact CD1-CG2 4.08Å
496	L	89.3	Confident	89.6	Confident	64 Å²	64	59.7 Å²	59.7	34%	0.335	31%	0.312	S	S	.	.	H	α-helix	trans	-60.1	-46.1	172.8	-74.1	174.7	0	0	0	111.4	L492 D493 R498 S499 Y506	L492-L496 WeakPolarHBondContact O-CB 3.39Å; L492-L496 WeakPolarHBondContact O-CG 3.25Å; L492-L496 PolarHBondContact O-N 3.39Å; D493-L496 PolarHBondContact O-N 3.31Å; L496-R498 PolarHBondContact O-N 2.77Å; L496-S499 PolarHBondContact O-N 3.35Å; L496-Y506 HydrophobicContact CD1-CD2 3.69Å; L496-Y506 HydrophobicContact CD1-CE2 3.68Å; L496-Y506 HydrophobicContact CD1-CG 4.14Å; L496-Y506 HydrophobicContact CD2-CD2 4.42Å; L496-Y506 HydrophobicContact CD2-CG 4.31Å; L496-Y506 HydrophobicContact CG-CD2 4.24Å
497	A	88.6	Confident	89.6	Confident	89 Å²	89	60.8 Å²	60.8	74%	0.736	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-4.9	177.3	0	0	0	0	0	114.5	D493	D493-A497 WeakPolarHBondContact O-CB 3.4Å; D493-A497 PolarHBondContact O-N 3.01Å
498	R	88.4	Confident	89.5	Confident	139 Å²	139	65 Å²	65	53%	0.525	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	8.7	171.3	-68.3	-169.6	175.4	96.5	1.7	113.3	A494 L495 L496 M500	A494-R498 PolarHBondContact O-NH1 3.4Å; L495-R498 CarbonylContact O-C 3.5Å; L495-R498 PolarHBondContact O-N 3.08Å; L496-R498 PolarHBondContact O-N 2.77Å; R498-M500 HydrophobicContact CB-CG 3.79Å; R498-M500 HydrophobicContact CB-SD 4.19Å; R498-M500 WeakPolarHBondContact O-CG 3.48Å; R498-M500 PolarHBondContact O-N 3.33Å; R498-M500 VanDerWaalsContact O-N 3.13Å
499	S	86.9	Confident	89.4	Confident	106 Å²	106	64.9 Å²	64.9	74%	0.741	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	25.3	-173.8	-52.5	0	0	0	0	114.3	L495 L496	L495-S499 PolarHBondContact O-N 2.89Å; L496-S499 PolarHBondContact O-N 3.35Å
500	M	85.4	Confident	89.3	Confident	52 Å²	52	64.2 Å²	64.2	26%	0.256	33%	0.327	S	S	.	.			trans	-89.9	-9.1	-177.4	-63.1	-168.2	77.5	0	0	113.5	L495 R498 D532 F533 I536	L495-M500 HydrophobicContact CD2-CB 4Å; L495-M500 PolarHBondContact O-N 2.78Å; R498-M500 HydrophobicContact CB-CG 3.79Å; R498-M500 HydrophobicContact CB-SD 4.19Å; R498-M500 WeakPolarHBondContact O-CG 3.48Å; R498-M500 PolarHBondContact O-N 3.33Å; R498-M500 VanDerWaalsContact O-N 3.13Å; M500-D532 HydrophobicContact CE-CB 3.89Å; M500-F533 HydrophobicContact CB-CD2 4.23Å; M500-F533 HydrophobicContact CE-CB 4.2Å; M500-F533 VanDerWaalsContact O-CD2 3.29Å; M500-F533 WeakPolarHBondContact O-CD2 3.45Å; M500-F533 VanDerWaalsContact O-CE2 3.28Å; M500-F533 WeakPolarHBondContact O-CE2 3.28Å; M500-I536 HydrophobicContact SD-CD1 3.44Å; M500-I536 WeakPolarHBondContact SD-CD1 3.35Å
501	L	87.3	Confident	89.2	Confident	5 Å²	5	67 Å²	67	3%	0.026	34%	0.344	C	S	.	.	S	Bend	trans	-124.8	121.8	173.9	-179.6	67.8	0	0	0	108.1	L492 L495 D505 Y506 F533	L492-L501 HydrophobicContact CD2-CD2 3.52Å; L495-L501 HydrophobicContact CB-CB 3.84Å; L501-D505 HydrophobicContact CD1-CB 3.69Å; L501-Y506 HydrophobicContact CD2-CD2 4.08Å; L501-Y506 HydrophobicContact CD2-CG 4.48Å; L501-F533 HydrophobicContact CB-CE2 4.27Å; L501-F533 HydrophobicContact CD1-CE2 4.19Å; L501-F533 HydrophobicContact CD1-CZ 4.22Å
502	M	85.4	Confident	89.2	Confident	109 Å²	109	69.6 Å²	69.6	54%	0.537	36%	0.357	S	S	.	.			trans	-70.5	155.3	177.8	-64.7	-57.7	-66.2	0	0	111	E504 D505 Y506	M502-E504 VanDerWaalsContact C-N 3.26Å; M502-E504 PolarHBondContact O-N 2.89Å; M502-D505 HydrophobicContact CB-CB 4.48Å; M502-D505 PolarHBondContact O-N 2.92Å; M502-Y506 PolarHBondContact O-N 3.44Å
503	R	81.9	Confident	88.8	Confident	171 Å²	171	75 Å²	75	65%	0.645	39%	0.392	S	S	*	.	H	α-helix	trans	-60	-40	-177.6	179.9	176.6	174.3	146.6	7.5	111.8	Y506 E507	R503-Y506 PolarHBondContact O-N 3.41Å; R503-E507 HydrophobicContact CG-CG 4.5Å; R503-E507 IonicContact CZ-OE1 3.32Å; R503-E507 VanDerWaalsContact CZ-OE1 3.31Å; R503-E507 IonicContact NE-OE1 2.72Å; R503-E507 PolarHBondContact NE-OE1 3.36Å; R503-E507 IonicContact NH2-OE1 2.75Å; R503-E507 PolarHBondContact NH2-OE1 3.22Å; R503-E507 WeakPolarHBondContact O-CB 3.47Å; R503-E507 WeakPolarHBondContact O-CG 3.47Å; R503-E507 PolarHBondContact O-N 3.43Å
504	E	85.6	Confident	88.9	Confident	116 Å²	116	74 Å²	74	54%	0.542	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-45	179.1	-59.3	69	-153.2	0	0	110.5	M502 E507 L508	M502-E504 VanDerWaalsContact C-N 3.26Å; M502-E504 PolarHBondContact O-N 2.89Å; E504-E507 PolarHBondContact O-N 3.46Å; E504-L508 WeakPolarHBondContact O-CB 3.47Å; E504-L508 VanDerWaalsContact O-CG 3.28Å; E504-L508 WeakPolarHBondContact O-CG 3.31Å; E504-L508 PolarHBondContact O-N 3.11Å
505	D	86.7	Confident	89	Confident	26 Å²	26	77.1 Å²	77.1	14%	0.139	40%	0.398	C	S	.	.	H	α-helix	trans	-70	-30.7	176.6	-87.7	-52.3	0	0	0	112.8	L501 M502 V509 N525 K528	L501-D505 HydrophobicContact CD1-CB 3.69Å; M502-D505 HydrophobicContact CB-CB 4.48Å; M502-D505 PolarHBondContact O-N 2.92Å; D505-V509 WeakPolarHBondContact O-CG2 3.48Å; D505-V509 PolarHBondContact O-N 2.93Å; D505-N525 PolarHBondContact OD1-OD1 3.06Å; D505-K528 IonicContact OD1-NZ 3.52Å; D505-K528 PolarHBondContact OD1-NZ 3.03Å; D505-K528 IonicContact OD2-NZ 3.68Å
506	Y	90.8	Very high	89.1	Confident	72 Å²	72	79.3 Å²	79.3	28%	0.282	41%	0.411	S	S	.	.	H	α-helix	trans	-69	-47.4	170.4	171.6	-98.6	0	0	0	112	L492 L496 L501 M502 R503 L508 V509 V510	L492-Y506 HydrophobicContact CB-CD2 4.12Å; L492-Y506 HydrophobicContact CB-CE2 3.95Å; L492-Y506 HydrophobicContact CD1-CD2 4.32Å; L492-Y506 HydrophobicContact CD1-CE2 4.06Å; L492-Y506 HydrophobicContact CD2-CD2 4.29Å; L492-Y506 HydrophobicContact CG-CD2 4.47Å; L492-Y506 HydrophobicContact CG-CE2 4.47Å; L496-Y506 HydrophobicContact CD1-CD2 3.69Å; L496-Y506 HydrophobicContact CD1-CE2 3.68Å; L496-Y506 HydrophobicContact CD1-CG 4.14Å; L496-Y506 HydrophobicContact CD2-CD2 4.42Å; L496-Y506 HydrophobicContact CD2-CG 4.31Å; L496-Y506 HydrophobicContact CG-CD2 4.24Å; L501-Y506 HydrophobicContact CD2-CD2 4.08Å; L501-Y506 HydrophobicContact CD2-CG 4.48Å; M502-Y506 PolarHBondContact O-N 3.44Å; R503-Y506 PolarHBondContact O-N 3.41Å; Y506-L508 VanDerWaalsContact C-N 3.29Å; Y506-L508 PolarHBondContact O-N 2.77Å; Y506-V509 WeakPolarHBondContact O-CB 3.42Å; Y506-V509 PolarHBondContact O-N 3.29Å; Y506-V510 HydrophobicContact CD1-CG2 4.33Å; Y506-V510 HydrophobicContact CD2-CG2 4.1Å; Y506-V510 HydrophobicContact CE1-CG2 3.89Å; Y506-V510 HydrophobicContact CE2-CG2 3.63Å; Y506-V510 HydrophobicContact CG-CG2 4.43Å; Y506-V510 PolarHBondContact O-N 3.39Å
507	E	90.1	Very high	89.2	Confident	78 Å²	78	77.3 Å²	77.3	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-37	176.4	-72.7	-179.9	-167.7	0	0	110.8	R503 E504 V509 V510 N511	R503-E507 HydrophobicContact CG-CG 4.5Å; R503-E507 IonicContact CZ-OE1 3.32Å; R503-E507 VanDerWaalsContact CZ-OE1 3.31Å; R503-E507 IonicContact NE-OE1 2.72Å; R503-E507 PolarHBondContact NE-OE1 3.36Å; R503-E507 IonicContact NH2-OE1 2.75Å; R503-E507 PolarHBondContact NH2-OE1 3.22Å; R503-E507 WeakPolarHBondContact O-CB 3.47Å; R503-E507 WeakPolarHBondContact O-CG 3.47Å; R503-E507 PolarHBondContact O-N 3.43Å; E504-E507 PolarHBondContact O-N 3.46Å; E507-V509 VanDerWaalsContact C-N 3.31Å; E507-V509 PolarHBondContact O-N 2.99Å; E507-V510 PolarHBondContact O-N 3.18Å; E507-N511 VanDerWaalsContact O-CB 3.23Å; E507-N511 WeakPolarHBondContact O-CB 3.44Å; E507-N511 VanDerWaalsContact O-CG 3.22Å; E507-N511 PolarHBondContact O-N 2.92Å; E507-N511 PolarHBondContact O-ND2 3.17Å
508	L	90.4	Very high	89.5	Confident	88 Å²	88	75 Å²	75	46%	0.461	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-33.7	170.7	-77.6	173.6	0	0	0	113.7	E504 Y506 Q512 Q521	E504-L508 WeakPolarHBondContact O-CB 3.47Å; E504-L508 VanDerWaalsContact O-CG 3.28Å; E504-L508 WeakPolarHBondContact O-CG 3.31Å; E504-L508 PolarHBondContact O-N 3.11Å; Y506-L508 VanDerWaalsContact C-N 3.29Å; Y506-L508 PolarHBondContact O-N 2.77Å; L508-Q512 WeakPolarHBondContact O-CG 3.48Å; L508-Q512 PolarHBondContact O-NE2 2.99Å; L508-Q521 HydrophobicContact CB-CG 4.45Å
509	V	91.1	Very high	89.7	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-74.5	-50.8	174.3	171.2	0	0	0	0	111.2	L488 L492 D505 Y506 E507 N511 Q512 K518 Q521 L522	L488-V509 HydrophobicContact CD1-CG1 4.49Å; L492-V509 HydrophobicContact CD1-CG1 3.88Å; L492-V509 HydrophobicContact CD2-CB 4.4Å; L492-V509 HydrophobicContact CD2-CG1 3.99Å; L492-V509 HydrophobicContact CD2-CG2 4.5Å; D505-V509 WeakPolarHBondContact O-CG2 3.48Å; D505-V509 PolarHBondContact O-N 2.93Å; Y506-V509 WeakPolarHBondContact O-CB 3.42Å; Y506-V509 PolarHBondContact O-N 3.29Å; E507-V509 VanDerWaalsContact C-N 3.31Å; E507-V509 PolarHBondContact O-N 2.99Å; V509-N511 VanDerWaalsContact C-N 3.35Å; V509-N511 PolarHBondContact O-N 3.24Å; V509-Q512 WeakPolarHBondContact O-CB 3.47Å; V509-Q512 WeakPolarHBondContact O-CG 3.21Å; V509-Q512 PolarHBondContact O-N 2.71Å; V509-K518 HydrophobicContact CG1-CB 4.22Å; V509-K518 WeakPolarHBondContact O-CG 3.44Å; V509-Q521 HydrophobicContact CB-CG 4.32Å; V509-Q521 HydrophobicContact CG2-CB 3.92Å; V509-Q521 HydrophobicContact CG2-CG 3.59Å; V509-L522 HydrophobicContact CG2-CB 4.33Å
510	V	91.7	Very high	90.1	Very high	57 Å²	57	67.6 Å²	67.6	35%	0.345	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-35.1	-172.4	173.5	0	0	0	0	112.3	L492 Y506 E507 Q512	L492-V510 HydrophobicContact CD1-CG2 4.37Å; Y506-V510 HydrophobicContact CD1-CG2 4.33Å; Y506-V510 HydrophobicContact CD2-CG2 4.1Å; Y506-V510 HydrophobicContact CE1-CG2 3.89Å; Y506-V510 HydrophobicContact CE2-CG2 3.63Å; Y506-V510 HydrophobicContact CG-CG2 4.43Å; Y506-V510 PolarHBondContact O-N 3.39Å; E507-V510 PolarHBondContact O-N 3.18Å; V510-Q512 PolarHBondContact O-N 3.22Å
511	N	91.5	Very high	90.5	Very high	126 Å²	126	67.2 Å²	67.2	67%	0.674	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-1.4	178.6	-70.3	-39.3	0	0	0	114.2	E507 V509	E507-N511 VanDerWaalsContact O-CB 3.23Å; E507-N511 WeakPolarHBondContact O-CB 3.44Å; E507-N511 VanDerWaalsContact O-CG 3.22Å; E507-N511 PolarHBondContact O-N 2.92Å; E507-N511 PolarHBondContact O-ND2 3.17Å; V509-N511 VanDerWaalsContact C-N 3.35Å; V509-N511 PolarHBondContact O-N 3.24Å
512	Q	93.8	Very high	90.7	Very high	55 Å²	55	67 Å²	67	26%	0.257	33%	0.33	S	S	.	.			trans	-71.2	133.1	175.6	-61.6	-59.4	-37.9	0	0	111.6	L508 V509 V510 T514 A517 K518 Q521	L508-Q512 WeakPolarHBondContact O-CG 3.48Å; L508-Q512 PolarHBondContact O-NE2 2.99Å; V509-Q512 WeakPolarHBondContact O-CB 3.47Å; V509-Q512 WeakPolarHBondContact O-CG 3.21Å; V509-Q512 PolarHBondContact O-N 2.71Å; V510-Q512 PolarHBondContact O-N 3.22Å; Q512-T514 VanDerWaalsContact C-N 3.27Å; Q512-T514 PolarHBondContact O-N 3.48Å; Q512-A517 HydrophobicContact CB-CB 3.79Å; Q512-A517 HydrophobicContact CG-CB 4.31Å; Q512-K518 HydrophobicContact CB-CB 4.32Å; Q512-K518 HydrophobicContact CB-CG 3.77Å; Q512-K518 WeakPolarHBondContact O-CE 3.28Å; Q512-Q521 HydrophobicContact CG-CB 4.1Å
513	P	84.3	Confident	91.1	Very high	118 Å²	118	61.8 Å²	61.8	77%	0.766	30%	0.304	S	S	*	.	S	Bend	trans	-73.9	-10.5	-168.2	29.4	-37.1	0	0	0	114.8
514	T	93.4	Very high	91.4	Very high	68 Å²	68	56.4 Å²	56.4	42%	0.417	29%	0.288	S	S	.	.	S	Bend	trans	-137.6	148.4	-179.5	67.2	0	0	0	0	111	Q512 T516 A517 K518	Q512-T514 VanDerWaalsContact C-N 3.27Å; Q512-T514 PolarHBondContact O-N 3.48Å; T514-T516 PolarHBondContact O-N 2.97Å; T514-T516 VanDerWaalsContact O-N 3.16Å; T514-T516 PolarHBondContact OG1-OG1 3.03Å; T514-A517 PolarHBondContact O-N 3.44Å; T514-A517 WeakPolarHBondContact OG1-CB 3.3Å; T514-A517 PolarHBondContact OG1-N 3.15Å; T514-K518 WeakPolarHBondContact O-CG 3.23Å; T514-K518 PolarHBondContact O-N 3.03Å
515	R	94.4	Very high	91.3	Very high	81 Å²	81	50.9 Å²	50.9	31%	0.306	26%	0.262	S	S	.	.	H	α-helix	trans	-50	-42.1	176	-166.8	-153.5	79.5	-165.9	8.8	112.3	V480 L481 M483 E485 K518 V519	V480-R515 PolarHBondContact O-NH2 3.08Å; L481-R515 VanDerWaalsContact C-NH2 3.33Å; L481-R515 PolarHBondContact O-NH2 2.78Å; M483-R515 WeakPolarHBondContact O-CD 2.88Å; M483-R515 PolarHBondContact O-NE 2.96Å; M483-R515 PolarHBondContact O-NH2 2.92Å; E485-R515 HydrophobicContact CB-CG 4.26Å; R515-K518 PolarHBondContact O-N 3.44Å; R515-V519 VanDerWaalsContact O-CG2 3.31Å; R515-V519 WeakPolarHBondContact O-CG2 3.41Å; R515-V519 PolarHBondContact O-N 3.31Å
516	T	93.3	Very high	91.1	Very high	45 Å²	45	49.9 Å²	49.9	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-69.7	-32.8	179.9	48.6	0	0	0	0	112.9	V480 T514 R520	V480-T516 HydrophobicContact CG1-CG2 3.86Å; T514-T516 PolarHBondContact O-N 2.97Å; T514-T516 VanDerWaalsContact O-N 3.16Å; T514-T516 PolarHBondContact OG1-OG1 3.03Å; T516-R520 WeakPolarHBondContact O-CG 3.48Å; T516-R520 PolarHBondContact O-N 2.7Å
517	A	91.8	Very high	90.1	Very high	23 Å²	23	49.6 Å²	49.6	19%	0.19	26%	0.258	C	S	.	.	H	α-helix	trans	-71	-43.2	170.8	0	0	0	0	0	111.8	Q512 T514 V519 R520 Q521	Q512-A517 HydrophobicContact CB-CB 3.79Å; Q512-A517 HydrophobicContact CG-CB 4.31Å; T514-A517 PolarHBondContact O-N 3.44Å; T514-A517 WeakPolarHBondContact OG1-CB 3.3Å; T514-A517 PolarHBondContact OG1-N 3.15Å; A517-V519 VanDerWaalsContact C-N 3.34Å; A517-V519 PolarHBondContact O-N 3.23Å; A517-R520 PolarHBondContact O-N 3.5Å; A517-Q521 PolarHBondContact O-N 2.71Å
518	K	94.4	Very high	89.2	Confident	40 Å²	40	51.8 Å²	51.8	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-54.9	-48.5	173.4	-60.5	-179.2	179.4	179.5	0	111.3	E485 L488 V509 Q512 T514 R515 Q521 L522	E485-K518 IonicContact OE1-NZ 3.55Å; E485-K518 PolarHBondContact OE1-NZ 2.79Å; L488-K518 HydrophobicContact CD2-CB 3.52Å; L488-K518 HydrophobicContact CD2-CD 3.77Å; L488-K518 HydrophobicContact CD2-CG 4.29Å; V509-K518 HydrophobicContact CG1-CB 4.22Å; V509-K518 WeakPolarHBondContact O-CG 3.44Å; Q512-K518 HydrophobicContact CB-CB 4.32Å; Q512-K518 HydrophobicContact CB-CG 3.77Å; Q512-K518 WeakPolarHBondContact O-CE 3.28Å; T514-K518 WeakPolarHBondContact O-CG 3.23Å; T514-K518 PolarHBondContact O-N 3.03Å; R515-K518 PolarHBondContact O-N 3.44Å; K518-Q521 PolarHBondContact O-N 3.21Å; K518-L522 PolarHBondContact O-N 3.32Å; K518-L522 VanDerWaalsContact O-N 3.09Å
519	V	94.6	Very high	88.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-43.7	178.6	178	0	0	0	0	111.4	I479 V480 M483 L488 R515 A517 Q521 L522 L523	I479-V519 HydrophobicContact CG2-CG1 4.4Å; V480-V519 HydrophobicContact CB-CG1 4.4Å; V480-V519 HydrophobicContact CG2-CB 4.49Å; V480-V519 HydrophobicContact CG2-CG1 3.95Å; M483-V519 HydrophobicContact CB-CG1 4.27Å; M483-V519 HydrophobicContact CB-CG2 4.15Å; M483-V519 HydrophobicContact CG-CG2 4.17Å; M483-V519 HydrophobicContact SD-CB 4.4Å; M483-V519 HydrophobicContact SD-CG1 3.69Å; M483-V519 HydrophobicContact SD-CG2 3.8Å; L488-V519 HydrophobicContact CD1-CG2 4.2Å; L488-V519 HydrophobicContact CD2-CG2 4.23Å; R515-V519 VanDerWaalsContact O-CG2 3.31Å; R515-V519 WeakPolarHBondContact O-CG2 3.41Å; R515-V519 PolarHBondContact O-N 3.31Å; A517-V519 VanDerWaalsContact C-N 3.34Å; A517-V519 PolarHBondContact O-N 3.23Å; V519-Q521 VanDerWaalsContact C-N 3.33Å; V519-Q521 PolarHBondContact O-N 2.59Å; V519-L522 PolarHBondContact O-N 3.04Å; V519-L523 HydrophobicContact CG1-CD1 4.16Å; V519-L523 HydrophobicContact CG1-CG 4.25Å; V519-L523 WeakPolarHBondContact O-CG 3.15Å; V519-L523 PolarHBondContact O-N 3.42Å
520	R	94.4	Very high	88	Confident	90 Å²	90	56.4 Å²	56.4	34%	0.34	29%	0.29	S	S	.	.	H	α-helix	trans	-58.2	-44.4	175.9	-77.7	-171.3	-170.3	107.1	-2.4	112	R476 E477 V480 T516 A517 L522 L523 D524	R476-R520 PolarHBondContact NH2-O 3.23Å; E477-R520 IonicContact OE1-CZ 3.32Å; E477-R520 IonicContact OE1-NE 3.67Å; E477-R520 PolarHBondContact OE1-NE 3.11Å; E477-R520 VanDerWaalsContact OE1-NE 3.09Å; E477-R520 IonicContact OE1-NH2 3.4Å; E477-R520 IonicContact OE2-CZ 3.54Å; E477-R520 IonicContact OE2-NE 2.69Å; E477-R520 PolarHBondContact OE2-NE 2.95Å; E477-R520 IonicContact OE2-NH2 2.73Å; E477-R520 PolarHBondContact OE2-NH2 3.24Å; V480-R520 HydrophobicContact CB-CG 4.41Å; V480-R520 HydrophobicContact CG1-CG 4.05Å; V480-R520 HydrophobicContact CG2-CG 3.44Å; V480-R520 VanDerWaalsContact CG2-CG 3.44Å; T516-R520 WeakPolarHBondContact O-CG 3.48Å; T516-R520 PolarHBondContact O-N 2.7Å; A517-R520 PolarHBondContact O-N 3.5Å; R520-L522 VanDerWaalsContact C-N 3.35Å; R520-L522 PolarHBondContact O-N 3.33Å; R520-L523 CarbonylContact O-C 3.59Å; R520-L523 PolarHBondContact O-N 3.33Å; R520-L523 VanDerWaalsContact O-N 3.09Å; R520-D524 PolarHBondContact O-N 3.41Å; R520-D524 VanDerWaalsContact O-OD2 3.09Å
521	Q	93.2	Very high	87.7	Confident	44 Å²	44	55.4 Å²	55.4	21%	0.206	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-41.1	177	-170.6	69.9	29	0	0	112.3	L508 V509 Q512 A517 K518 V519 L523 D524 N525	L508-Q521 HydrophobicContact CB-CG 4.45Å; V509-Q521 HydrophobicContact CB-CG 4.32Å; V509-Q521 HydrophobicContact CG2-CB 3.92Å; V509-Q521 HydrophobicContact CG2-CG 3.59Å; Q512-Q521 HydrophobicContact CG-CB 4.1Å; A517-Q521 PolarHBondContact O-N 2.71Å; K518-Q521 PolarHBondContact O-N 3.21Å; V519-Q521 VanDerWaalsContact C-N 3.33Å; V519-Q521 PolarHBondContact O-N 2.59Å; Q521-L523 VanDerWaalsContact C-N 3.34Å; Q521-L523 PolarHBondContact O-N 3.09Å; Q521-D524 PolarHBondContact O-N 3.4Å; Q521-N525 PolarHBondContact O-N 3.44Å; Q521-N525 VanDerWaalsContact O-N 3.1Å
522	L	92.8	Very high	87.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-40	173.4	174.9	60.1	0	0	0	111.9	M483 L488 L492 L495 V509 K518 V519 R520 D524 N525 C526 F533 V537	M483-L522 HydrophobicContact CE-CD2 4.27Å; L488-L522 HydrophobicContact CD1-CB 4.38Å; L488-L522 HydrophobicContact CD1-CD2 3.68Å; L492-L522 HydrophobicContact CD2-CD1 4.01Å; L492-L522 HydrophobicContact CD2-CD2 4.41Å; L495-L522 HydrophobicContact CD1-CD1 3.86Å; V509-L522 HydrophobicContact CG2-CB 4.33Å; K518-L522 PolarHBondContact O-N 3.32Å; K518-L522 VanDerWaalsContact O-N 3.09Å; V519-L522 PolarHBondContact O-N 3.04Å; R520-L522 VanDerWaalsContact C-N 3.35Å; R520-L522 PolarHBondContact O-N 3.33Å; L522-D524 VanDerWaalsContact C-N 3.3Å; L522-D524 PolarHBondContact O-N 2.76Å; L522-N525 PolarHBondContact O-N 3.17Å; L522-C526 PolarHBondContact O-N 3.48Å; L522-C526 VanDerWaalsContact O-N 3.07Å; L522-C526 PolarHBondContact O-SG 2.95Å; L522-F533 HydrophobicContact CD1-CE1 3.95Å; L522-F533 HydrophobicContact CD1-CZ 3.9Å; L522-V537 HydrophobicContact CD1-CG2 4.4Å; L522-V537 HydrophobicContact CD2-CG2 4.46Å
523	L	92.3	Very high	87.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-73.9	-18.4	176.9	-60.4	-173.5	0	0	0	113.4	I472 R476 I479 V480 V519 R520 Q521 C526 V537	I472-L523 HydrophobicContact CG2-CD2 3.85Å; R476-L523 HydrophobicContact CG-CD1 3.87Å; R476-L523 VanDerWaalsContact NH1-C 3.3Å; R476-L523 PolarHBondContact NH1-O 2.74Å; I479-L523 HydrophobicContact CB-CD1 4Å; I479-L523 HydrophobicContact CG2-CD1 3.83Å; I479-L523 HydrophobicContact CG2-CD2 4.32Å; V480-L523 HydrophobicContact CG2-CD1 4.02Å; V519-L523 HydrophobicContact CG1-CD1 4.16Å; V519-L523 HydrophobicContact CG1-CG 4.25Å; V519-L523 WeakPolarHBondContact O-CG 3.15Å; V519-L523 PolarHBondContact O-N 3.42Å; R520-L523 CarbonylContact O-C 3.59Å; R520-L523 PolarHBondContact O-N 3.33Å; R520-L523 VanDerWaalsContact O-N 3.09Å; Q521-L523 VanDerWaalsContact C-N 3.34Å; Q521-L523 PolarHBondContact O-N 3.09Å; L523-C526 WeakPolarHBondContact O-CB 3.38Å; L523-V537 HydrophobicContact CD2-CG1 4.27Å
524	D	89.4	Confident	87.4	Confident	58 Å²	58	45.9 Å²	45.9	31%	0.31	23%	0.226	S	C	.	.	H	α-helix	trans	-78.9	-30.7	168	-72.5	-43.6	0	0	0	112.4	R476 R520 Q521 L522 C526 H527	R476-D524 IonicContact CZ-OD1 3.9Å; R476-D524 VanDerWaalsContact CZ-OD1 3.24Å; R476-D524 IonicContact CZ-OD2 3.94Å; R476-D524 IonicContact NH1-OD1 3.09Å; R476-D524 PolarHBondContact NH1-OD1 2.95Å; R476-D524 IonicContact NH1-OD2 2.72Å; R476-D524 IonicContact NH2-OD1 2.83Å; R476-D524 PolarHBondContact NH2-OD1 2.71Å; R476-D524 IonicContact NH2-OD2 2.68Å; R476-D524 PolarHBondContact NH2-OD2 2.82Å; R520-D524 PolarHBondContact O-N 3.41Å; R520-D524 VanDerWaalsContact O-OD2 3.09Å; Q521-D524 PolarHBondContact O-N 3.4Å; L522-D524 VanDerWaalsContact C-N 3.3Å; L522-D524 PolarHBondContact O-N 2.76Å; D524-C526 VanDerWaalsContact C-N 3.31Å; D524-H527 WeakPolarHBondContact O-CB 3.45Å; D524-H527 PolarHBondContact O-N 3.38Å; D524-H527 IonicContact OD1-ND1 2.66Å
525	N	84.1	Confident	87.3	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-32.9	168.3	-65.3	-13.7	0	0	0	111.1	D505 Q521 L522 H527 K528 H529 F533	D505-N525 PolarHBondContact OD1-OD1 3.06Å; Q521-N525 PolarHBondContact O-N 3.44Å; Q521-N525 VanDerWaalsContact O-N 3.1Å; L522-N525 PolarHBondContact O-N 3.17Å; N525-H527 PolarHBondContact O-N 2.87Å; N525-K528 PolarHBondContact O-N 3.43Å; N525-K528 WeakPolarHBondContact OD1-CE 3.41Å; N525-K528 PolarHBondContact OD1-NZ 3.15Å; N525-H529 PolarHBondContact O-CD2 3.18Å; N525-H529 PolarHBondContact O-N 2.74Å; N525-H529 VanDerWaalsContact O-N 3.1Å; N525-F533 HydrophobicContact CB-CE1 4.45Å; N525-F533 HydrophobicContact CB-CZ 3.96Å
526	C	82.6	Confident	87.1	Confident	4 Å²	4	42 Å²	42	3%	0.027	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.7	168.1	-59.1	0	0	0	0	113.8	I472 L522 L523 D524 F533	I472-C526 HydrophobicContact CD1-CB 4.37Å; I472-C526 HydrophobicContact CG2-CB 4.42Å; L522-C526 PolarHBondContact O-N 3.48Å; L522-C526 VanDerWaalsContact O-N 3.07Å; L522-C526 PolarHBondContact O-SG 2.95Å; L523-C526 WeakPolarHBondContact O-CB 3.38Å; D524-C526 VanDerWaalsContact C-N 3.31Å; C526-F533 HydrophobicContact CB-CD1 4.44Å; C526-F533 HydrophobicContact CB-CE1 4.46Å; C526-F533 VanDerWaalsContact SG-CE1 3.54Å
527	H	68.6	Low	87	Confident	66 Å²	66	39.8 Å²	39.8	31%	0.306	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-16.4	173.2	-67.3	152.1	0	0	0	113.8	R465 R476 D524 N525	R465-H527 PolarHBondContact NH1-CD2 3.48Å; R465-H527 PolarHBondContact NH2-O 2.94Å; R476-H527 PolarHBondContact NH1-CE1 3.01Å; D524-H527 WeakPolarHBondContact O-CB 3.45Å; D524-H527 PolarHBondContact O-N 3.38Å; D524-H527 IonicContact OD1-ND1 2.66Å; N525-H527 PolarHBondContact O-N 2.87Å
528	K	70.9	Confident	86.9	Confident	124 Å²	124	38.7 Å²	38.7	54%	0.539	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-30.2	179.6	-58.3	173	-176	164.1	0	113.4	D505 N525	D505-K528 IonicContact OD1-NZ 3.52Å; D505-K528 PolarHBondContact OD1-NZ 3.03Å; D505-K528 IonicContact OD2-NZ 3.68Å; N525-K528 PolarHBondContact O-N 3.43Å; N525-K528 WeakPolarHBondContact OD1-CE 3.41Å; N525-K528 PolarHBondContact OD1-NZ 3.15Å
529	H	77.6	Confident	86.7	Confident	54 Å²	54	41.7 Å²	41.7	25%	0.25	19%	0.192	C	C	.	.	S	Bend	trans	-103.6	166.6	-172.3	-59.2	-66.2	0	0	0	113.1	N525 F533	N525-H529 PolarHBondContact O-CD2 3.18Å; N525-H529 PolarHBondContact O-N 2.74Å; N525-H529 VanDerWaalsContact O-N 3.1Å; H529-F533 HydrophobicContact CB-CB 3.67Å; H529-F533 HydrophobicContact CB-CD1 4.39Å; H529-F533 HydrophobicContact CB-CD2 3.6Å; H529-F533 HydrophobicContact CB-CE2 4.31Å; H529-F533 HydrophobicContact CB-CG 3.65Å; H529-F533 AromaticContact CD2-CD2 3.39Å; H529-F533 WeakPolarHBondContact CD2-CD2 3.41Å; H529-F533 AromaticContact CD2-CE2 3.17Å; H529-F533 WeakPolarHBondContact CD2-CE2 3.31Å; H529-F533 AromaticContact CD2-CZ 3.67Å; H529-F533 AromaticContact CG-CD2 3.56Å; H529-F533 AromaticContact CG-CE2 3.84Å; H529-F533 AromaticContact NE2-CE2 3.72Å
530	D	79.8	Confident	86.6	Confident	131 Å²	131	43.6 Å²	43.6	70%	0.701	20%	0.201	S	C	*	.			trans	-70.4	169	-177.2	-62	-61.2	0	0	0	114.4	D532 F533	D530-D532 PolarHBondContact O-N 3.21Å; D530-D532 VanDerWaalsContact O-N 3.1Å; D530-F533 VanDerWaalsContact O-CB 3.27Å; D530-F533 WeakPolarHBondContact O-CB 3.3Å; D530-F533 PolarHBondContact O-N 3.17Å
531	E	84.4	Confident	86.4	Confident	36 Å²	36	39.3 Å²	39.3	17%	0.168	18%	0.184	C	C	.	.	H	α-helix	trans	-53.4	-31.2	-178.5	175.6	73.6	168.8	0	0	113.5	G466 P467 V468 A469 C534 R535	G466-E531 VanDerWaalsContact CA-CD 3.49Å; G466-E531 VanDerWaalsContact CA-OE2 3.28Å; G466-E531 WeakPolarHBondContact CA-OE2 3.44Å; P467-E531 VanDerWaalsContact CD-OE1 3.31Å; P467-E531 WeakPolarHBondContact CD-OE1 3.21Å; V468-E531 WeakPolarHBondContact CB-OE1 3.4Å; V468-E531 WeakPolarHBondContact CG2-OE1 3.17Å; V468-E531 PolarHBondContact N-OE1 3.03Å; V468-E531 PolarHBondContact N-OE2 2.75Å; A469-E531 WeakPolarHBondContact CB-OE2 3.25Å; A469-E531 PolarHBondContact N-OE2 2.67Å; E531-C534 WeakPolarHBondContact O-CB 3.27Å; E531-C534 PolarHBondContact O-N 3.48Å; E531-R535 VanDerWaalsContact CG-NE 3.34Å; E531-R535 WeakPolarHBondContact O-CG 3.45Å; E531-R535 PolarHBondContact O-N 3.14Å; E531-R535 IonicContact OE1-CZ 3.24Å; E531-R535 IonicContact OE1-NE 2.68Å; E531-R535 IonicContact OE1-NH2 3.2Å; E531-R535 PolarHBondContact OE1-NH2 3.49Å
532	D	84.6	Confident	86.1	Confident	100 Å²	100	40 Å²	40	54%	0.535	19%	0.192	S	C	.	.	H	α-helix	trans	-70.1	-30.4	177.5	-78.1	-42.5	0	0	0	113.8	M500 D530 C534 R535 I536	M500-D532 HydrophobicContact CE-CB 3.89Å; D530-D532 PolarHBondContact O-N 3.21Å; D530-D532 VanDerWaalsContact O-N 3.1Å; D532-C534 VanDerWaalsContact C-N 3.3Å; D532-C534 PolarHBondContact O-N 2.91Å; D532-R535 PolarHBondContact O-N 3.14Å; D532-R535 WeakPolarHBondContact OD1-CD 3.46Å; D532-I536 WeakPolarHBondContact O-CG1 3.34Å; D532-I536 PolarHBondContact O-N 3.34Å; D532-I536 VanDerWaalsContact O-N 3.07Å
533	F	89.8	Confident	85.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-46.3	169.5	-172.2	-73.6	0	0	0	109.5	L495 M500 L501 L522 N525 C526 H529 D530 R535 I536 V537	L495-F533 HydrophobicContact CD1-CD1 4.44Å; L495-F533 HydrophobicContact CD1-CD2 4.42Å; L495-F533 HydrophobicContact CD1-CE1 3.86Å; L495-F533 HydrophobicContact CD1-CE2 3.84Å; L495-F533 HydrophobicContact CD1-CZ 3.53Å; L495-F533 HydrophobicContact CD2-CB 4.47Å; L495-F533 HydrophobicContact CD2-CD1 4.26Å; L495-F533 HydrophobicContact CD2-CD2 3.61Å; L495-F533 HydrophobicContact CD2-CE1 4.43Å; L495-F533 HydrophobicContact CD2-CE2 3.82Å; L495-F533 HydrophobicContact CD2-CG 3.84Å; L495-F533 HydrophobicContact CD2-CZ 4.24Å; L495-F533 HydrophobicContact CG-CE2 4.35Å; L495-F533 HydrophobicContact CG-CZ 4.48Å; M500-F533 HydrophobicContact CB-CD2 4.23Å; M500-F533 HydrophobicContact CE-CB 4.2Å; M500-F533 VanDerWaalsContact O-CD2 3.29Å; M500-F533 WeakPolarHBondContact O-CD2 3.45Å; M500-F533 VanDerWaalsContact O-CE2 3.28Å; M500-F533 WeakPolarHBondContact O-CE2 3.28Å; L501-F533 HydrophobicContact CB-CE2 4.27Å; L501-F533 HydrophobicContact CD1-CE2 4.19Å; L501-F533 HydrophobicContact CD1-CZ 4.22Å; L522-F533 HydrophobicContact CD1-CE1 3.95Å; L522-F533 HydrophobicContact CD1-CZ 3.9Å; N525-F533 HydrophobicContact CB-CE1 4.45Å; N525-F533 HydrophobicContact CB-CZ 3.96Å; C526-F533 HydrophobicContact CB-CD1 4.44Å; C526-F533 HydrophobicContact CB-CE1 4.46Å; C526-F533 VanDerWaalsContact SG-CE1 3.54Å; H529-F533 HydrophobicContact CB-CB 3.67Å; H529-F533 HydrophobicContact CB-CD1 4.39Å; H529-F533 HydrophobicContact CB-CD2 3.6Å; H529-F533 HydrophobicContact CB-CE2 4.31Å; H529-F533 HydrophobicContact CB-CG 3.65Å; H529-F533 AromaticContact CD2-CD2 3.39Å; H529-F533 WeakPolarHBondContact CD2-CD2 3.41Å; H529-F533 AromaticContact CD2-CE2 3.17Å; H529-F533 WeakPolarHBondContact CD2-CE2 3.31Å; H529-F533 AromaticContact CD2-CZ 3.67Å; H529-F533 AromaticContact CG-CD2 3.56Å; H529-F533 AromaticContact CG-CE2 3.84Å; H529-F533 AromaticContact NE2-CE2 3.72Å; D530-F533 VanDerWaalsContact O-CB 3.27Å; D530-F533 WeakPolarHBondContact O-CB 3.3Å; D530-F533 PolarHBondContact O-N 3.17Å; F533-R535 VanDerWaalsContact C-N 3.35Å; F533-R535 PolarHBondContact O-N 3.02Å; F533-I536 PolarHBondContact O-N 2.88Å; F533-V537 HydrophobicContact CD1-CG2 4.21Å; F533-V537 HydrophobicContact CE1-CG2 4.08Å; F533-V537 PolarHBondContact O-N 3.31Å
534	C	90.3	Very high	85.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-39.9	178	-61.8	0	0	0	0	111.6	V468 A469 I472 E531 D532 I536 V537 V538	V468-C534 HydrophobicContact CB-CB 4.33Å; V468-C534 HydrophobicContact CG1-CB 3.95Å; A469-C534 HydrophobicContact CB-CB 4.3Å; I472-C534 HydrophobicContact CD1-CB 3.55Å; E531-C534 WeakPolarHBondContact O-CB 3.27Å; E531-C534 PolarHBondContact O-N 3.48Å; D532-C534 VanDerWaalsContact C-N 3.3Å; D532-C534 PolarHBondContact O-N 2.91Å; C534-I536 VanDerWaalsContact C-N 3.35Å; C534-I536 PolarHBondContact O-N 2.78Å; C534-V537 PolarHBondContact O-N 2.95Å; C534-V538 WeakPolarHBondContact O-CG2 3.17Å; C534-V538 PolarHBondContact O-N 2.78Å
535	R	90.2	Very high	84.9	Confident	49 Å²	49	49.7 Å²	49.7	19%	0.185	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-38.8	175	-74.2	165.5	-176.4	-70.4	-28.4	112.7	V468 E531 D532 F533 R539 E555	V468-R535 HydrophobicContact CB-CG 4.26Å; V468-R535 HydrophobicContact CG1-CG 4.4Å; V468-R535 HydrophobicContact CG2-CG 3.92Å; E531-R535 VanDerWaalsContact CG-NE 3.34Å; E531-R535 WeakPolarHBondContact O-CG 3.45Å; E531-R535 PolarHBondContact O-N 3.14Å; E531-R535 IonicContact OE1-CZ 3.24Å; E531-R535 IonicContact OE1-NE 2.68Å; E531-R535 IonicContact OE1-NH2 3.2Å; E531-R535 PolarHBondContact OE1-NH2 3.49Å; D532-R535 PolarHBondContact O-N 3.14Å; D532-R535 WeakPolarHBondContact OD1-CD 3.46Å; F533-R535 VanDerWaalsContact C-N 3.35Å; F533-R535 PolarHBondContact O-N 3.02Å; R535-R539 WeakPolarHBondContact O-CB 3.23Å; R535-R539 PolarHBondContact O-N 2.83Å; R535-E555 IonicContact CZ-OE2 2.84Å; R535-E555 PolarHBondContact NH1-O 2.97Å; R535-E555 IonicContact NH1-OE2 3.72Å; R535-E555 IonicContact NH2-OE2 2.72Å; R535-E555 PolarHBondContact NH2-OE2 3.5Å
536	I	90.1	Very high	84.7	Confident	17 Å²	17	50.8 Å²	50.8	9%	0.087	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-49.1	176.9	-67.8	162.7	0	0	0	110.9	A494 L495 M500 D532 F533 C534 V538 R539 K540	A494-I536 HydrophobicContact CB-CG2 3.89Å; L495-I536 HydrophobicContact CD2-CB 4.02Å; L495-I536 HydrophobicContact CD2-CD1 3.88Å; L495-I536 HydrophobicContact CD2-CG2 3.93Å; L495-I536 HydrophobicContact CG-CG2 4.01Å; M500-I536 HydrophobicContact SD-CD1 3.44Å; M500-I536 WeakPolarHBondContact SD-CD1 3.35Å; D532-I536 WeakPolarHBondContact O-CG1 3.34Å; D532-I536 PolarHBondContact O-N 3.34Å; D532-I536 VanDerWaalsContact O-N 3.07Å; F533-I536 PolarHBondContact O-N 2.88Å; C534-I536 VanDerWaalsContact C-N 3.35Å; C534-I536 PolarHBondContact O-N 2.78Å; I536-V538 PolarHBondContact O-N 3.47Å; I536-R539 PolarHBondContact O-N 2.92Å; I536-K540 PolarHBondContact O-N 2.84Å
537	V	90.6	Very high	83.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-48.2	179.6	175.6	0	0	0	0	111.1	M483 L495 L522 L523 F533 C534 K540 L541	M483-V537 HydrophobicContact CE-CG1 4.41Å; L495-V537 HydrophobicContact CD1-CG2 4.08Å; L522-V537 HydrophobicContact CD1-CG2 4.4Å; L522-V537 HydrophobicContact CD2-CG2 4.46Å; L523-V537 HydrophobicContact CD2-CG1 4.27Å; F533-V537 HydrophobicContact CD1-CG2 4.21Å; F533-V537 HydrophobicContact CE1-CG2 4.08Å; F533-V537 PolarHBondContact O-N 3.31Å; C534-V537 PolarHBondContact O-N 2.95Å; V537-K540 PolarHBondContact O-N 2.81Å; V537-L541 WeakPolarHBondContact O-CG 3.38Å; V537-L541 PolarHBondContact O-N 3.14Å; V537-L541 VanDerWaalsContact O-N 3.1Å
538	V	90.8	Very high	83.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-72.4	-32.3	-179	-174.5	0	0	0	0	112.2	V468 W471 I472 C534 I536 K540 L541 V542 Y552 P553 I556	V468-V538 HydrophobicContact CG1-CB 4.04Å; V468-V538 HydrophobicContact CG1-CG2 3.7Å; W471-V538 HydrophobicContact CE3-CG1 4.08Å; W471-V538 HydrophobicContact CE3-CG2 3.84Å; W471-V538 HydrophobicContact CH2-CG1 4.04Å; W471-V538 HydrophobicContact CZ3-CB 4.4Å; W471-V538 HydrophobicContact CZ3-CG1 3.68Å; W471-V538 HydrophobicContact CZ3-CG2 3.72Å; I472-V538 HydrophobicContact CD1-CG2 3.72Å; I472-V538 HydrophobicContact CG1-CG2 3.49Å; I472-V538 VanDerWaalsContact CG1-CG2 3.49Å; C534-V538 WeakPolarHBondContact O-CG2 3.17Å; C534-V538 PolarHBondContact O-N 2.78Å; I536-V538 PolarHBondContact O-N 3.47Å; V538-K540 VanDerWaalsContact C-N 3.3Å; V538-K540 PolarHBondContact O-N 3.3Å; V538-L541 HydrophobicContact CG2-CD1 4.49Å; V538-L541 WeakPolarHBondContact O-CB 3.48Å; V538-L541 PolarHBondContact O-N 3.15Å; V538-V542 WeakPolarHBondContact O-CG2 3.45Å; V538-V542 PolarHBondContact O-N 3.44Å; V538-Y552 HydrophobicContact CG1-CD1 3.9Å; V538-P553 HydrophobicContact CG1-CG 4.47Å; V538-I556 HydrophobicContact CB-CD1 3.56Å; V538-I556 HydrophobicContact CG1-CD1 3.36Å
539	R	90.3	Very high	84.4	Confident	102 Å²	102	46 Å²	46	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-59.9	-40.9	170.1	-170.2	-175	-63	179.6	2.3	111.4	R535 I536 L541 V542 E543 I556	R535-R539 WeakPolarHBondContact O-CB 3.23Å; R535-R539 PolarHBondContact O-N 2.83Å; I536-R539 PolarHBondContact O-N 2.92Å; R539-L541 PolarHBondContact O-N 3.12Å; R539-V542 WeakPolarHBondContact O-CB 3.49Å; R539-V542 PolarHBondContact O-N 3.3Å; R539-E543 WeakPolarHBondContact CD-OE1 3.41Å; R539-E543 HydrophobicContact CG-CG 4.43Å; R539-E543 VanDerWaalsContact CG-OE1 3.31Å; R539-E543 WeakPolarHBondContact CG-OE1 3.32Å; R539-E543 WeakPolarHBondContact O-CG 3.3Å; R539-E543 PolarHBondContact O-N 3.09Å; R539-I556 HydrophobicContact CB-CG2 4.14Å; R539-I556 HydrophobicContact CG-CG2 4.32Å
540	K	91.9	Very high	84.3	Confident	40 Å²	40	49.2 Å²	49.2	17%	0.174	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-33.9	175.1	-71.5	-57.7	-174.1	-174	0	113.7	C487 Q490 S491 I536 V537 V538 V542 E543 N544	C487-K540 VanDerWaalsContact SG-C 3.59Å; C487-K540 PolarHBondContact SG-O 3.09Å; C487-K540 VanDerWaalsContact SG-O 3.35Å; Q490-K540 HydrophobicContact CB-CD 4.14Å; Q490-K540 WeakPolarHBondContact O-CE 3.32Å; S491-K540 WeakPolarHBondContact OG-CB 3.3Å; I536-K540 PolarHBondContact O-N 2.84Å; V537-K540 PolarHBondContact O-N 2.81Å; V538-K540 VanDerWaalsContact C-N 3.3Å; V538-K540 PolarHBondContact O-N 3.3Å; K540-V542 VanDerWaalsContact C-N 3.33Å; K540-E543 VanDerWaalsContact CD-OE2 3.31Å; K540-E543 WeakPolarHBondContact CD-OE2 3.25Å; K540-E543 WeakPolarHBondContact CE-OE2 3.12Å; K540-E543 IonicContact NZ-OE2 3.09Å; K540-E543 PolarHBondContact NZ-OE2 3.09Å; K540-E543 PolarHBondContact O-N 3.44Å; K540-N544 WeakPolarHBondContact O-CB 3.32Å; K540-N544 PolarHBondContact O-N 3.36Å; K540-N544 PolarHBondContact O-ND2 2.96Å
541	L	89.6	Confident	84.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-37.5	170.5	-65	169	0	0	0	112.2	W471 I479 M483 V537 V538 R539 N545 Q546 L549 Y552	W471-L541 HydrophobicContact CZ3-CD1 4.43Å; I479-L541 HydrophobicContact CD1-CD1 4.37Å; I479-L541 HydrophobicContact CG1-CD1 4.15Å; I479-L541 HydrophobicContact CG2-CD1 3.81Å; I479-L541 HydrophobicContact CG2-CD2 4.19Å; M483-L541 HydrophobicContact CB-CD2 3.98Å; M483-L541 HydrophobicContact CE-CD2 4.02Å; M483-L541 HydrophobicContact CG-CD2 3.78Å; M483-L541 HydrophobicContact SD-CD2 4.17Å; V537-L541 WeakPolarHBondContact O-CG 3.38Å; V537-L541 PolarHBondContact O-N 3.14Å; V537-L541 VanDerWaalsContact O-N 3.1Å; V538-L541 HydrophobicContact CG2-CD1 4.49Å; V538-L541 WeakPolarHBondContact O-CB 3.48Å; V538-L541 PolarHBondContact O-N 3.15Å; R539-L541 PolarHBondContact O-N 3.12Å; L541-N545 PolarHBondContact O-N 3Å; L541-Q546 HydrophobicContact CD2-CG 4.11Å; L541-Q546 WeakPolarHBondContact O-CB 3.41Å; L541-Q546 WeakPolarHBondContact O-CG 3.49Å; L541-Q546 PolarHBondContact O-N 3.47Å; L541-Q546 VanDerWaalsContact O-N 3.11Å; L541-L549 HydrophobicContact CB-CD1 4.28Å; L541-L549 HydrophobicContact CD1-CD1 4Å; L541-L549 HydrophobicContact CD2-CD1 3.93Å; L541-L549 HydrophobicContact CG-CD1 4.3Å; L541-Y552 HydrophobicContact CB-CE1 4.09Å; L541-Y552 PolarHBondContact O-OH 2.78Å; L541-Y552 VanDerWaalsContact O-OH 3.12Å
542	V	87	Confident	84.4	Confident	59 Å²	59	47.9 Å²	47.9	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-67.6	-50.9	173.2	175.9	0	0	0	0	111.5	V538 R539 K540 N544 N545 Y552 I556	V538-V542 WeakPolarHBondContact O-CG2 3.45Å; V538-V542 PolarHBondContact O-N 3.44Å; R539-V542 WeakPolarHBondContact O-CB 3.49Å; R539-V542 PolarHBondContact O-N 3.3Å; K540-V542 VanDerWaalsContact C-N 3.33Å; V542-N544 VanDerWaalsContact C-N 3.31Å; V542-N544 PolarHBondContact O-N 3.1Å; V542-N545 WeakPolarHBondContact O-CA 3.3Å; V542-N545 PolarHBondContact O-N 3.16Å; V542-Y552 HydrophobicContact CG2-CD1 3.63Å; V542-Y552 HydrophobicContact CG2-CD2 3.7Å; V542-Y552 HydrophobicContact CG2-CE1 3.81Å; V542-Y552 HydrophobicContact CG2-CE2 3.87Å; V542-Y552 HydrophobicContact CG2-CG 3.56Å; V542-I556 HydrophobicContact CG2-CG2 4.47Å
543	E	85.1	Confident	84.2	Confident	108 Å²	108	43.6 Å²	43.6	51%	0.505	24%	0.236	S	C	.	.	H	α-helix	trans	-60	-38.6	-179.6	-73.4	173.1	-156.3	0	0	112.1	R539 K540 N545	R539-E543 WeakPolarHBondContact CD-OE1 3.41Å; R539-E543 HydrophobicContact CG-CG 4.43Å; R539-E543 VanDerWaalsContact CG-OE1 3.31Å; R539-E543 WeakPolarHBondContact CG-OE1 3.32Å; R539-E543 WeakPolarHBondContact O-CG 3.3Å; R539-E543 PolarHBondContact O-N 3.09Å; K540-E543 VanDerWaalsContact CD-OE2 3.31Å; K540-E543 WeakPolarHBondContact CD-OE2 3.25Å; K540-E543 WeakPolarHBondContact CE-OE2 3.12Å; K540-E543 IonicContact NZ-OE2 3.09Å; K540-E543 PolarHBondContact NZ-OE2 3.09Å; K540-E543 PolarHBondContact O-N 3.44Å; E543-N545 PolarHBondContact O-N 2.9Å
544	N	86.2	Confident	83.2	Confident	35 Å²	35	48.6 Å²	48.6	19%	0.187	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	15.3	174.8	-71.4	-95.5	0	0	0	113.2	C487 Q490 K540 V542 Q546	C487-N544 HydrophobicContact CB-CB 3.79Å; Q490-N544 PolarHBondContact NE2-OD1 2.55Å; Q490-N544 PolarHBondContact OE1-ND2 3.14Å; Q490-N544 PolarHBondContact OE1-OD1 2.93Å; K540-N544 WeakPolarHBondContact O-CB 3.32Å; K540-N544 PolarHBondContact O-N 3.36Å; K540-N544 PolarHBondContact O-ND2 2.96Å; V542-N544 VanDerWaalsContact C-N 3.31Å; V542-N544 PolarHBondContact O-N 3.1Å; N544-Q546 VanDerWaalsContact C-N 3.32Å; N544-Q546 HydrophobicContact CB-CG 4.34Å; N544-Q546 PolarHBondContact O-N 2.97Å; N544-Q546 PolarHBondContact O-NE2 3.02Å
545	N	78.7	Confident	82.1	Confident	118 Å²	118	52.1 Å²	52.1	63%	0.631	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	47.8	174.5	-166.8	22.2	0	0	0	114.1	L541 V542 E543 G547	L541-N545 PolarHBondContact O-N 3Å; V542-N545 WeakPolarHBondContact O-CA 3.3Å; V542-N545 PolarHBondContact O-N 3.16Å; E543-N545 PolarHBondContact O-N 2.9Å; N545-G547 PolarHBondContact O-N 3.34Å
546	Q	79	Confident	81.2	Confident	24 Å²	24	50.9 Å²	50.9	11%	0.112	28%	0.282	C	S	.	.			trans	-74.7	63.6	-179.2	-60.7	-61.3	-66.5	0	0	111.2	Q482 L541 N544 G548 L549 Y552	Q482-Q546 PolarHBondContact O-OE1 2.83Å; L541-Q546 HydrophobicContact CD2-CG 4.11Å; L541-Q546 WeakPolarHBondContact O-CB 3.41Å; L541-Q546 WeakPolarHBondContact O-CG 3.49Å; L541-Q546 PolarHBondContact O-N 3.47Å; L541-Q546 VanDerWaalsContact O-N 3.11Å; N544-Q546 VanDerWaalsContact C-N 3.32Å; N544-Q546 HydrophobicContact CB-CG 4.34Å; N544-Q546 PolarHBondContact O-N 2.97Å; N544-Q546 PolarHBondContact O-NE2 3.02Å; Q546-G548 VanDerWaalsContact C-N 3.25Å; Q546-G548 PolarHBondContact O-N 3.13Å; Q546-L549 HydrophobicContact CB-CD1 3.85Å; Q546-L549 HydrophobicContact CB-CG 4.35Å; Q546-L549 WeakPolarHBondContact O-CB 3.4Å; Q546-L549 PolarHBondContact O-N 3.1Å; Q546-Y552 PolarHBondContact O-OH 2.95Å
547	G	62	Low	79.4	Confident	34 Å²	34	53.4 Å²	53.4	35%	0.351	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.9	-22.2	-157.8	0	0	0	0	0	116.8	N545 L549 K550	N545-G547 PolarHBondContact O-N 3.34Å; G547-L549 PolarHBondContact O-N 3.45Å; G547-K550 WeakPolarHBondContact O-CD 3.47Å; G547-K550 WeakPolarHBondContact O-CG 3.07Å; G547-K550 PolarHBondContact O-N 2.96Å
548	G	73.4	Confident	77	Confident	58 Å²	58	57.3 Å²	57.3	60%	0.598	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-75.3	-3.2	174	0	0	0	0	0	114.1	Q482 Q546	Q482-G548 VanDerWaalsContact NE2-C 3.32Å; Q482-G548 PolarHBondContact NE2-O 3.44Å; Q482-G548 VanDerWaalsContact NE2-O 3.16Å; Q546-G548 VanDerWaalsContact C-N 3.25Å; Q546-G548 PolarHBondContact O-N 3.13Å
549	L	80.4	Confident	74.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-90.7	1.6	172.4	-62.4	177.5	0	0	0	113.5	W471 R475 D478 I479 Q482 L541 Q546 G547 Y552	W471-L549 HydrophobicContact CH2-CB 4.2Å; W471-L549 WeakPolarHBondContact CZ2-O 3.39Å; R475-L549 PolarHBondContact NH1-O 2.97Å; D478-L549 HydrophobicContact CB-CD2 3.68Å; I479-L549 HydrophobicContact CG1-CD1 4.08Å; I479-L549 HydrophobicContact CG1-CD2 3.98Å; Q482-L549 HydrophobicContact CB-CD2 4.4Å; Q482-L549 HydrophobicContact CB-CG 4.35Å; Q482-L549 HydrophobicContact CG-CD2 4.42Å; L541-L549 HydrophobicContact CB-CD1 4.28Å; L541-L549 HydrophobicContact CD1-CD1 4Å; L541-L549 HydrophobicContact CD2-CD1 3.93Å; L541-L549 HydrophobicContact CG-CD1 4.3Å; Q546-L549 HydrophobicContact CB-CD1 3.85Å; Q546-L549 HydrophobicContact CB-CG 4.35Å; Q546-L549 WeakPolarHBondContact O-CB 3.4Å; Q546-L549 PolarHBondContact O-N 3.1Å; G547-L549 PolarHBondContact O-N 3.45Å; L549-Y552 HydrophobicContact CB-CE1 3.88Å
550	K	77.1	Confident	71.9	Confident	123 Å²	123	64.6 Å²	64.6	54%	0.535	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-67.7	153	-179.3	-71	173.6	-178.4	174.7	0	112.5	R475 G547 Y552	R475-K550 VanDerWaalsContact NH1-C 3.32Å; R475-K550 PolarHBondContact NH1-O 3.2Å; G547-K550 WeakPolarHBondContact O-CD 3.47Å; G547-K550 WeakPolarHBondContact O-CG 3.07Å; G547-K550 PolarHBondContact O-N 2.96Å; K550-Y552 HydrophobicContact CG-CD2 3.96Å; K550-Y552 HydrophobicContact CG-CE2 3.72Å
551	P	80.1	Confident	69.1	Low	95 Å²	95	67.9 Å²	67.9	62%	0.617	43%	0.425	S	S	*	.	S	Bend	cis	-73.3	146.4	-11.6	32.3	-35.2	0	0	0	112.3	W471	W471-P551 PolarHBondContact NE1-O 3.39Å
552	Y	84.3	Confident	66.5	Low	43 Å²	43	72.1 Å²	72.1	17%	0.169	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-84.4	163.8	171.3	-63.8	-78.7	0	0	0	111.2	W471 V538 L541 V542 Q546 L549 K550	W471-Y552 AromaticContact CH2-CD1 3.56Å; W471-Y552 HydrophobicContact CH2-CD1 3.56Å; W471-Y552 AromaticContact CH2-CE1 3.9Å; W471-Y552 HydrophobicContact CH2-CE1 3.9Å; W471-Y552 AromaticContact CZ2-CD1 3.6Å; W471-Y552 HydrophobicContact CZ2-CD1 3.6Å; W471-Y552 HydrophobicContact CZ2-CE1 4.24Å; W471-Y552 HydrophobicContact CZ2-CG 4.33Å; V538-Y552 HydrophobicContact CG1-CD1 3.9Å; L541-Y552 HydrophobicContact CB-CE1 4.09Å; L541-Y552 PolarHBondContact O-OH 2.78Å; L541-Y552 VanDerWaalsContact O-OH 3.12Å; V542-Y552 HydrophobicContact CG2-CD1 3.63Å; V542-Y552 HydrophobicContact CG2-CD2 3.7Å; V542-Y552 HydrophobicContact CG2-CE1 3.81Å; V542-Y552 HydrophobicContact CG2-CE2 3.87Å; V542-Y552 HydrophobicContact CG2-CG 3.56Å; Q546-Y552 PolarHBondContact O-OH 2.95Å; L549-Y552 HydrophobicContact CB-CE1 3.88Å; K550-Y552 HydrophobicContact CG-CD2 3.96Å; K550-Y552 HydrophobicContact CG-CE2 3.72Å
553	P	81.7	Confident	63.8	Low	10 Å²	10	74 Å²	74	7%	0.065	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-58.6	137.6	174.4	-24	35.4	0	0	0	112.2	V468 W471 V538 E555 I556	V468-P553 HydrophobicContact CG1-CG 4.38Å; V468-P553 HydrophobicContact CG2-CB 3.91Å; V468-P553 HydrophobicContact CG2-CG 4.11Å; W471-P553 HydrophobicContact CB-CG 3.75Å; W471-P553 HydrophobicContact CD2-CG 3.8Å; W471-P553 HydrophobicContact CE3-CG 4.36Å; W471-P553 HydrophobicContact CG-CG 3.51Å; V538-P553 HydrophobicContact CG1-CG 4.47Å; P553-E555 VanDerWaalsContact C-N 3.32Å; P553-E555 PolarHBondContact O-N 3.01Å; P553-I556 HydrophobicContact CB-CD1 4.16Å; P553-I556 HydrophobicContact CB-CG1 4.37Å; P553-I556 HydrophobicContact CG-CD1 4.1Å; P553-I556 PolarHBondContact O-N 2.59Å
554	P	68.5	Low	61.4	Low	105 Å²	105	75 Å²	75	68%	0.682	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-67.7	-30	-175	27.1	-34	0	0	0	112.9	I556 G557	P554-I556 PolarHBondContact O-N 2.59Å; P554-G557 PolarHBondContact O-N 3.36Å; P554-G557 VanDerWaalsContact O-N 3.15Å
555	E	67.4	Low	59	Low	74 Å²	74	79 Å²	79	35%	0.346	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-73.2	5.6	-177.1	-32.8	88.3	-132	0	0	114.6	P467 V468 R535 P553	P467-E555 WeakPolarHBondContact CG-OE2 3.34Å; V468-E555 WeakPolarHBondContact CG2-OE2 3.27Å; R535-E555 IonicContact CZ-OE2 2.84Å; R535-E555 PolarHBondContact NH1-O 2.97Å; R535-E555 IonicContact NH1-OE2 3.72Å; R535-E555 IonicContact NH2-OE2 2.72Å; R535-E555 PolarHBondContact NH2-OE2 3.5Å; P553-E555 VanDerWaalsContact C-N 3.32Å; P553-E555 PolarHBondContact O-N 3.01Å
556	I	70.8	Confident	56.8	Low	24 Å²	24	77 Å²	77	12%	0.123	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-93.2	-15.8	173.8	-59.1	179.6	0	0	0	111.1	V468 V538 R539 V542 P553 P554 S558	V468-I556 HydrophobicContact CG1-CD1 4.19Å; V468-I556 HydrophobicContact CG2-CD1 4.25Å; V468-I556 HydrophobicContact CG2-CG1 4.33Å; V538-I556 HydrophobicContact CB-CD1 3.56Å; V538-I556 HydrophobicContact CG1-CD1 3.36Å; R539-I556 HydrophobicContact CB-CG2 4.14Å; R539-I556 HydrophobicContact CG-CG2 4.32Å; V542-I556 HydrophobicContact CG2-CG2 4.47Å; P553-I556 HydrophobicContact CB-CD1 4.16Å; P553-I556 HydrophobicContact CB-CG1 4.37Å; P553-I556 HydrophobicContact CG-CD1 4.1Å; P553-I556 PolarHBondContact O-N 2.59Å; P554-I556 PolarHBondContact O-N 2.59Å; I556-S558 PolarHBondContact O-N 2.87Å
557	G	52.5	Low	54.7	Low	70 Å²	70	82.1 Å²	82.1	72%	0.722	56%	0.563	S	S	*	*	S	Bend	trans	-80.1	-5.7	-174.5	0	0	0	0	0	116.8	P554	P554-G557 PolarHBondContact O-N 3.36Å; P554-G557 VanDerWaalsContact O-N 3.15Å
558	S	39.9	Very low	53.4	Low	82 Å²	82	85.3 Å²	85.3	57%	0.573	58%	0.577	S	S	*	*	S	Bend	trans	-114.4	133.9	-175.7	-65.5	0	0	0	0	112.3	I556 V560	I556-S558 PolarHBondContact O-N 2.87Å; S558-V560 PolarHBondContact O-N 3.17Å
559	P	37.6	Very low	51.5	Low	129 Å²	129	88.7 Å²	88.7	84%	0.838	59%	0.589	S	S	*	*			trans	-69	118	168.3	29.1	-32.2	0	0	0	109.3	S561	P559-S561 PolarHBondContact O-N 2.99Å; P559-S561 VanDerWaalsContact O-N 3.11Å
560	V	37.1	Very low	49.2	Very low	126 Å²	126	98 Å²	98	76%	0.764	63%	0.63	S	S	*	*			trans	-75.8	101.9	-178.4	-179.8	0	0	0	0	109.6	S558	S558-V560 PolarHBondContact O-N 3.17Å
561	S	32.4	Very low	47	Very low	108 Å²	108	97.6 Å²	97.6	76%	0.755	64%	0.642	S	S	*	*			trans	-68.1	142.8	158	-170.6	0	0	0	0	109.2	P559 A563	P559-S561 PolarHBondContact O-N 2.99Å; P559-S561 VanDerWaalsContact O-N 3.11Å; S561-A563 PolarHBondContact O-N 3.44Å
562	A	35.2	Very low	44.6	Very low	89 Å²	89	99 Å²	99	74%	0.736	65%	0.649	S	S	*	*			trans	-66.7	119.8	-175.1	0	0	0	0	0	111.8	V564	A562-V564 PolarHBondContact O-N 2.9Å
563	A	30.3	Very low	42	Very low	100 Å²	100	102.3 Å²	102.3	83%	0.826	68%	0.679	S	S	*	*			trans	-85.3	104.4	173.6	0	0	0	0	0	110.2	S561	S561-A563 PolarHBondContact O-N 3.44Å
564	V	34.1	Very low	39.5	Very low	127 Å²	127	112.1 Å²	112.1	77%	0.77	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-73.5	133.2	172.3	-179.9	0	0	0	0	109.6	A562 G566	A562-V564 PolarHBondContact O-N 2.9Å; V564-G566 PolarHBondContact O-N 3.43Å
565	P	35.8	Very low	37.7	Very low	121 Å²	121	112.6 Å²	112.6	79%	0.786	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-60.6	119	172	-23.1	34.4	0	0	0	111.2
566	G	33.6	Very low	36.1	Very low	74 Å²	74	115.9 Å²	115.9	76%	0.763	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-74.4	130.5	-172.7	0	0	0	0	0	114.1	V564	V564-G566 PolarHBondContact O-N 3.43Å
567	V	35	Very low	34.2	Very low	132 Å²	132	126.3 Å²	126.3	80%	0.8	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.4	136.7	163.2	178.5	0	0	0	0	108.8
568	P	33.7	Very low	33.4	Very low	101 Å²	101	133.2 Å²	133.2	66%	0.656	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-67.5	141.1	-179.7	27.1	-35.2	0	0	0	112.1
569	P	34.5	Very low	33.3	Very low	130 Å²	130	135.5 Å²	135.5	84%	0.844	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.1	129.5	-177.8	30	-34.4	0	0	0	112.3
570	F	31.6	Very low	33.5	Very low	196 Å²	196	142.4 Å²	142.4	86%	0.86	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.5	125.2	168.2	-88.1	-93.9	0	0	0	111	T572	F570-T572 PolarHBondContact O-N 2.89Å
571	S	30	Very low	33.4	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	81%	0.811	S	S	*	*			trans	-87	96.4	174.3	57.7	0	0	0	0	111.6	S573	S571-S573 PolarHBondContact O-N 3.36Å
572	T	30	Very low	33.4	Very low	123 Å²	123	145.1 Å²	145.1	76%	0.755	81%	0.814	S	S	*	*			trans	-89.4	83.8	174.5	36.9	0	0	0	0	112.1	F570 Y574	F570-T572 PolarHBondContact O-N 2.89Å; T572-Y574 PolarHBondContact O-N 3.26Å; T572-Y574 VanDerWaalsContact O-N 3.17Å
573	S	30.5	Very low	33.3	Very low	113 Å²	113	148.2 Å²	148.2	79%	0.79	82%	0.818	S	S	*	*			trans	-73.7	100.6	171.6	56.5	0	0	0	0	111.4	S571 S575	S571-S573 PolarHBondContact O-N 3.36Å; S573-S575 PolarHBondContact O-N 2.92Å
574	Y	29.4	Very low	33.5	Very low	216 Å²	216	151.1 Å²	151.1	85%	0.847	82%	0.818	S	S	*	*			trans	-66.7	127.9	166	-96.7	-95.4	0	0	0	110.7	T572	T572-Y574 PolarHBondContact O-N 3.26Å; T572-Y574 VanDerWaalsContact O-N 3.17Å
575	S	31.1	Very low	33.5	Very low	116 Å²	116	152.6 Å²	152.6	81%	0.811	82%	0.821	S	S	*	*			trans	-150.9	122.3	161	-81.9	0	0	0	0	109.7	S573	S573-S575 PolarHBondContact O-N 2.92Å
576	N	32.4	Very low	33.3	Very low	143 Å²	143	154.7 Å²	154.7	77%	0.765	82%	0.823	S	S	*	*			trans	-74.1	141.2	178	-57.9	-74.9	0	0	0	110.3
577	Y	31.3	Very low	33.3	Very low	242 Å²	242	160.4 Å²	160.4	95%	0.949	83%	0.827	S	S	*	*			trans	-138.7	157.6	139.7	-101.1	-76.6	0	0	0	110.3
578	R	36.3	Very low	33.2	Very low	216 Å²	216	162.6 Å²	162.6	82%	0.815	83%	0.83	S	S	*	*			trans	-144.3	141.5	-161.6	-157.6	-168	-170.8	174.3	3.2	109
579	N	37.9	Very low	33.1	Very low	129 Å²	129	167.8 Å²	167.8	69%	0.69	84%	0.844	S	S	*	*			trans	69.5	152.6	-178.4	-37.7	-25.8	0	0	0	113
580	F	42.4	Very low	33	Very low	275 Å²	275	171.2 Å²	171.2	100%	1.206	84%	0.844	S	S	*	*			cis	-113	0	1.4	-95.6	-93.7	0	0	0	111.9

Retrieved 580 of 580 residues in 1292.4 ms (Link to these results)

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