A0A3Q0KCZ6_SCHMA Loading...

La-related protein 7

AlphaFold DB , UniProt , Accession A0A3Q0KCZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 592 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	32.2	Very low	51.6	Low	229 Å²	229	117.7 Å²	117.7	100%	1.128	65%	0.649	S	S	*	*				0	109.2	0	-77.2	-177.7	175.6	0	0	107.8	L3	M1-L3 PolarHBondContact O-N 2.97Å; M1-L3 VanDerWaalsContact O-N 3.1Å
2	N	36.3	Very low	54	Low	121 Å²	121	114 Å²	114	65%	0.647	62%	0.623	S	S	*	*			trans	-76.3	92.1	174.1	-85.8	-31	0	0	0	108.2	S4	N2-S4 PolarHBondContact O-N 3.07Å
3	L	42.8	Very low	56.6	Low	149 Å²	149	110.7 Å²	110.7	78%	0.78	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-3.7	172.4	-89.6	114.3	0	0	0	113.5	M1 L7	M1-L3 PolarHBondContact O-N 2.97Å; M1-L3 VanDerWaalsContact O-N 3.1Å; L3-L7 WeakPolarHBondContact O-CD1 3.28Å
4	S	50.4	Low	59	Low	52 Å²	52	106.5 Å²	106.5	36%	0.364	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89	-13.5	-175.3	47.2	0	0	0	0	115.4	N2	N2-S4 PolarHBondContact O-N 3.07Å
5	K	47.4	Very low	61	Low	169 Å²	169	102.8 Å²	102.8	74%	0.735	56%	0.56	S	S	*	*	S	Bend	trans	-87.8	-17.6	-173.4	-73.2	-166.6	174.7	-174.1	0	115.3
6	D	45.1	Very low	62.9	Low	159 Å²	159	100.2 Å²	100.2	85%	0.85	54%	0.542	S	S	*	.	S	Bend	trans	-114.7	13.6	-172.3	-61.3	-32.2	0	0	0	114.3
7	L	46.6	Very low	64.7	Low	88 Å²	88	94.4 Å²	94.4	46%	0.461	51%	0.51	S	S	.	.	S	Bend	trans	-90.8	139.3	179.5	-73.2	164.3	0	0	0	111.7	L3	L3-L7 WeakPolarHBondContact O-CD1 3.28Å
8	A	61	Low	66.3	Low	67 Å²	67	90.1 Å²	90.1	55%	0.554	49%	0.487	S	S	*	.			trans	-50.9	151.5	167.9	0	0	0	0	0	111	N10 G11 Q12	A8-N10 PolarHBondContact O-N 3.2Å; A8-G11 WeakPolarHBondContact O-CA 3.09Å; A8-G11 PolarHBondContact O-N 3.32Å; A8-Q12 PolarHBondContact O-N 3.26Å
9	P	59.2	Low	67.6	Low	115 Å²	115	90.3 Å²	90.3	75%	0.747	48%	0.48	S	S	*	.	H	α-helix	trans	-52.6	-32.8	-175.9	17.9	-31.3	0	0	0	113.8
10	N	69.1	Low	68.9	Low	127 Å²	127	86.2 Å²	86.2	68%	0.679	46%	0.458	S	S	*	.	H	α-helix	trans	-66.9	-42.2	174.3	-67.8	-2.7	0	0	0	112.4	A8 Q12 N13 D14	A8-N10 PolarHBondContact O-N 3.2Å; N10-Q12 VanDerWaalsContact C-N 3.31Å; N10-Q12 PolarHBondContact O-N 3.22Å; N10-N13 PolarHBondContact O-N 2.86Å; N10-N13 VanDerWaalsContact O-N 3.15Å; N10-D14 VanDerWaalsContact O-CG 3.29Å; N10-D14 PolarHBondContact O-N 3.07Å
11	G	77.9	Confident	70.1	Confident	19 Å²	19	82.1 Å²	82.1	20%	0.196	44%	0.437	C	S	.	.	H	α-helix	trans	-65.7	-30.8	-178.6	0	0	0	0	0	113.6	A8 L15	A8-G11 WeakPolarHBondContact O-CA 3.09Å; A8-G11 PolarHBondContact O-N 3.32Å; G11-L15 PolarHBondContact O-N 3.41Å
12	Q	80.6	Confident	73	Confident	73 Å²	73	73.5 Å²	73.5	34%	0.341	39%	0.394	S	S	.	.	H	α-helix	trans	-69.6	-36.3	174.8	-175	62.6	9.7	0	0	112	A8 N10 K16	A8-Q12 PolarHBondContact O-N 3.26Å; N10-Q12 VanDerWaalsContact C-N 3.31Å; N10-Q12 PolarHBondContact O-N 3.22Å; Q12-K16 PolarHBondContact O-N 3.25Å
13	N	87.3	Confident	75.7	Confident	71 Å²	71	69.4 Å²	69.4	38%	0.38	37%	0.37	S	S	.	.	H	α-helix	trans	-69.5	-43.1	174.9	-163.6	32.8	0	0	0	110.8	N10 L15 K16 I17	N10-N13 PolarHBondContact O-N 2.86Å; N10-N13 VanDerWaalsContact O-N 3.15Å; N13-L15 VanDerWaalsContact C-N 3.31Å; N13-L15 PolarHBondContact O-N 2.72Å; N13-K16 WeakPolarHBondContact O-CB 3.46Å; N13-K16 PolarHBondContact O-N 3.25Å; N13-I17 WeakPolarHBondContact O-CG1 3.47Å; N13-I17 PolarHBondContact O-N 2.76Å
14	D	89.8	Confident	78.1	Confident	52 Å²	52	63.1 Å²	63.1	28%	0.278	34%	0.336	S	S	.	.	H	α-helix	trans	-57.3	-42.9	176.2	-69	-12.9	0	0	0	111.9	N10 K16 I17 L18 V72	N10-D14 VanDerWaalsContact O-CG 3.29Å; N10-D14 PolarHBondContact O-N 3.07Å; D14-K16 PolarHBondContact O-N 2.93Å; D14-I17 PolarHBondContact O-N 3.12Å; D14-L18 WeakPolarHBondContact O-CB 3.23Å; D14-L18 PolarHBondContact O-N 2.88Å; D14-V72 HydrophobicContact CB-CG2 3.79Å; D14-V72 WeakPolarHBondContact O-CG1 3.38Å
15	L	90.2	Very high	80	Confident	51 Å²	51	60.7 Å²	60.7	27%	0.267	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-38.7	175.4	-177	62.2	0	0	0	112.4	G11 N13 I17 R19	G11-L15 PolarHBondContact O-N 3.41Å; N13-L15 VanDerWaalsContact C-N 3.31Å; N13-L15 PolarHBondContact O-N 2.72Å; L15-I17 VanDerWaalsContact C-N 3.35Å; L15-R19 WeakPolarHBondContact O-CB 3.39Å; L15-R19 VanDerWaalsContact O-CG 3.27Å; L15-R19 WeakPolarHBondContact O-CG 3.42Å; L15-R19 PolarHBondContact O-N 3.35Å
16	K	90.6	Very high	82.1	Confident	61 Å²	61	53.2 Å²	53.2	27%	0.265	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-42.8	173.8	-77.2	-171.9	168.3	-163.5	0	110.8	Q12 N13 D14 Q20 M62 E148	Q12-K16 PolarHBondContact O-N 3.25Å; N13-K16 WeakPolarHBondContact O-CB 3.46Å; N13-K16 PolarHBondContact O-N 3.25Å; D14-K16 PolarHBondContact O-N 2.93Å; K16-Q20 WeakPolarHBondContact O-CB 3.37Å; K16-Q20 PolarHBondContact O-N 3.43Å; K16-M62 HydrophobicContact CB-CE 3.64Å; K16-E148 VanDerWaalsContact NZ-CD 3.34Å; K16-E148 IonicContact NZ-OE1 3.72Å; K16-E148 PolarHBondContact NZ-OE1 2.8Å; K16-E148 IonicContact NZ-OE2 3.58Å; K16-E148 PolarHBondContact NZ-OE2 2.94Å
17	I	92.8	Very high	84.2	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-63.2	-49.4	178.3	-65.1	167.4	0	0	0	109.9	N13 D14 L15 R19 Q20 V21 M59 M62 V64 I68 L69 V72	N13-I17 WeakPolarHBondContact O-CG1 3.47Å; N13-I17 PolarHBondContact O-N 2.76Å; D14-I17 PolarHBondContact O-N 3.12Å; L15-I17 VanDerWaalsContact C-N 3.35Å; I17-R19 PolarHBondContact O-N 2.84Å; I17-Q20 WeakPolarHBondContact O-CB 3.43Å; I17-Q20 PolarHBondContact O-N 3.01Å; I17-Q20 VanDerWaalsContact O-N 3.07Å; I17-V21 HydrophobicContact CG2-CG2 4.38Å; I17-V21 WeakPolarHBondContact O-CG2 3.36Å; I17-V21 PolarHBondContact O-N 3.38Å; I17-M59 HydrophobicContact CG2-CE 4.26Å; I17-M62 HydrophobicContact CB-CE 4.3Å; I17-M62 HydrophobicContact CG1-CE 3.46Å; I17-M62 VanDerWaalsContact CG1-CE 3.46Å; I17-V64 HydrophobicContact CD1-CG1 4.42Å; I17-V64 HydrophobicContact CD1-CG2 3.78Å; I17-V64 HydrophobicContact CG1-CG2 3.76Å; I17-V64 HydrophobicContact CG2-CG1 4.09Å; I17-V64 HydrophobicContact CG2-CG2 4.15Å; I17-I68 HydrophobicContact CD1-CG2 3.71Å; I17-L69 HydrophobicContact CG2-CD1 4.35Å; I17-V72 HydrophobicContact CB-CG1 4.4Å; I17-V72 HydrophobicContact CG2-CG1 4.26Å
18	L	93.5	Very high	86.1	Confident	18 Å²	18	42 Å²	42	9%	0.094	23%	0.228	C	C	.	.	H	α-helix	trans	-54.5	-52.6	178.2	-174.1	60.6	0	0	0	111.1	D14 Q20 V21 E22 V72	D14-L18 WeakPolarHBondContact O-CB 3.23Å; D14-L18 PolarHBondContact O-N 2.88Å; L18-Q20 PolarHBondContact O-N 3.37Å; L18-V21 PolarHBondContact O-N 3.23Å; L18-V21 VanDerWaalsContact O-N 3.14Å; L18-E22 HydrophobicContact CD1-CG 4.27Å; L18-E22 HydrophobicContact CG-CG 4.32Å; L18-E22 WeakPolarHBondContact O-CB 3.41Å; L18-E22 WeakPolarHBondContact O-CG 3.19Å; L18-E22 PolarHBondContact O-N 2.89Å; L18-V72 HydrophobicContact CB-CG1 3.48Å; L18-V72 VanDerWaalsContact CB-CG1 3.48Å; L18-V72 HydrophobicContact CD1-CG1 3.95Å; L18-V72 WeakPolarHBondContact CD1-O 3.44Å; L18-V72 HydrophobicContact CG-CG1 4.24Å
19	R	92.4	Very high	87.5	Confident	93 Å²	93	39.5 Å²	39.5	35%	0.351	21%	0.205	S	C	.	.	H	α-helix	trans	-57	-37.1	178.7	-77.5	174.1	163.5	-148.5	-13.4	112.1	L15 I17 F23 N155 E158	L15-R19 WeakPolarHBondContact O-CB 3.39Å; L15-R19 VanDerWaalsContact O-CG 3.27Å; L15-R19 WeakPolarHBondContact O-CG 3.42Å; L15-R19 PolarHBondContact O-N 3.35Å; I17-R19 PolarHBondContact O-N 2.84Å; R19-F23 VanDerWaalsContact O-CB 3.25Å; R19-F23 WeakPolarHBondContact O-CB 3.42Å; R19-F23 PolarHBondContact O-N 2.96Å; R19-N155 PolarHBondContact NH1-OD1 3.19Å; R19-E158 IonicContact NH2-OE1 2.8Å; R19-E158 IonicContact NH2-OE2 3.54Å; R19-E158 PolarHBondContact NH2-OE2 3.39Å; R19-E158 VanDerWaalsContact NH2-OE2 3.16Å
20	Q	93.8	Very high	89	Confident	9 Å²	9	34.3 Å²	34.3	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-70.3	-40.5	179.5	-175.4	50.8	45.7	0	0	112.5	K16 I17 L18 F23 Y24 R58 M59	K16-Q20 WeakPolarHBondContact O-CB 3.37Å; K16-Q20 PolarHBondContact O-N 3.43Å; I17-Q20 WeakPolarHBondContact O-CB 3.43Å; I17-Q20 PolarHBondContact O-N 3.01Å; I17-Q20 VanDerWaalsContact O-N 3.07Å; L18-Q20 PolarHBondContact O-N 3.37Å; Q20-F23 WeakPolarHBondContact O-CB 3.39Å; Q20-F23 PolarHBondContact O-N 3.29Å; Q20-Y24 HydrophobicContact CG-CE2 3.92Å; Q20-Y24 PolarHBondContact NE2-OH 3.21Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.32Å; Q20-Y24 PolarHBondContact O-N 3.48Å; Q20-Y24 VanDerWaalsContact O-N 3.16Å; Q20-R58 VanDerWaalsContact CD-CD 3.46Å; Q20-R58 HydrophobicContact CG-CG 4.17Å; Q20-M59 HydrophobicContact CB-SD 4.47Å; Q20-M59 HydrophobicContact CG-SD 3.96Å
21	V	93.4	Very high	89.9	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-70.4	-44.2	177.8	-177.5	0	0	0	0	110.5	I17 L18 F23 Y24 L25 L53 M59 L69 V73 L79 I88	I17-V21 HydrophobicContact CG2-CG2 4.38Å; I17-V21 WeakPolarHBondContact O-CG2 3.36Å; I17-V21 PolarHBondContact O-N 3.38Å; L18-V21 PolarHBondContact O-N 3.23Å; L18-V21 VanDerWaalsContact O-N 3.14Å; V21-F23 PolarHBondContact O-N 3.49Å; V21-Y24 PolarHBondContact O-N 2.97Å; V21-Y24 VanDerWaalsContact O-N 3.14Å; V21-L25 PolarHBondContact O-N 3.28Å; V21-L53 HydrophobicContact CG1-CD1 4.48Å; V21-M59 HydrophobicContact CG2-CE 3.86Å; V21-M59 HydrophobicContact CG2-SD 4.25Å; V21-L69 HydrophobicContact CB-CD1 4.48Å; V21-L69 HydrophobicContact CG1-CD1 4.4Å; V21-L69 HydrophobicContact CG2-CD1 3.38Å; V21-V73 HydrophobicContact CG1-CG2 4.35Å; V21-L79 HydrophobicContact CB-CD1 4.33Å; V21-L79 HydrophobicContact CG1-CD1 3.62Å; V21-I88 HydrophobicContact CG1-CD1 4.22Å
22	E	93.6	Very high	90.1	Very high	48 Å²	48	36.6 Å²	36.6	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-57.5	-38.8	172.6	-73.1	-174	161.7	0	0	111.5	L18 L25 S26 S76 I78 L79	L18-E22 HydrophobicContact CD1-CG 4.27Å; L18-E22 HydrophobicContact CG-CG 4.32Å; L18-E22 WeakPolarHBondContact O-CB 3.41Å; L18-E22 WeakPolarHBondContact O-CG 3.19Å; L18-E22 PolarHBondContact O-N 2.89Å; E22-L25 CarbonylContact O-C 3.26Å; E22-L25 PolarHBondContact O-N 3.41Å; E22-S26 WeakPolarHBondContact O-CA 3.38Å; E22-S26 WeakPolarHBondContact O-CB 3.43Å; E22-S26 PolarHBondContact O-N 3.33Å; E22-S76 PolarHBondContact OE1-OG 3.08Å; E22-I78 HydrophobicContact CB-CD1 3.75Å; E22-I78 HydrophobicContact CG-CD1 3.66Å; E22-I78 HydrophobicContact CG-CG1 3.95Å; E22-L79 HydrophobicContact CG-CD1 4Å; E22-L79 HydrophobicContact CG-CG 4.39Å
23	F	92.4	Very high	90.2	Very high	34 Å²	34	36.7 Å²	36.7	15%	0.149	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-43.7	175	169.9	-97.8	0	0	0	113	R19 Q20 V21 L25 S26 N29 F165	R19-F23 VanDerWaalsContact O-CB 3.25Å; R19-F23 WeakPolarHBondContact O-CB 3.42Å; R19-F23 PolarHBondContact O-N 2.96Å; Q20-F23 WeakPolarHBondContact O-CB 3.39Å; Q20-F23 PolarHBondContact O-N 3.29Å; V21-F23 PolarHBondContact O-N 3.49Å; F23-L25 PolarHBondContact O-N 2.85Å; F23-S26 WeakPolarHBondContact O-CB 3.35Å; F23-S26 PolarHBondContact O-N 2.92Å; F23-S26 PolarHBondContact O-OG 3.46Å; F23-N29 HydrophobicContact CE2-CB 4.47Å; F23-N29 HydrophobicContact CZ-CB 4.33Å; F23-N29 WeakPolarHBondContact O-CB 3.48Å; F23-F165 AromaticContact CE2-CD2 3.51Å; F23-F165 HydrophobicContact CE2-CD2 3.51Å; F23-F165 AromaticContact CE2-CE2 3.99Å; F23-F165 HydrophobicContact CE2-CE2 3.99Å; F23-F165 HydrophobicContact CE2-CG 4.4Å; F23-F165 AromaticContact CZ-CD2 3.61Å; F23-F165 HydrophobicContact CZ-CD2 3.61Å; F23-F165 AromaticContact CZ-CE2 3.57Å; F23-F165 HydrophobicContact CZ-CE2 3.57Å
24	Y	92.7	Very high	90.1	Very high	18 Å²	18	36.3 Å²	36.3	7%	0.071	18%	0.177	C	C	.	.	H	α-helix	trans	-57.6	-37.8	178.5	-68.8	-45.4	0	0	0	112.1	Q20 V21 N29 F36 L53 C56 M59	Q20-Y24 HydrophobicContact CG-CE2 3.92Å; Q20-Y24 PolarHBondContact NE2-OH 3.21Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.32Å; Q20-Y24 PolarHBondContact O-N 3.48Å; Q20-Y24 VanDerWaalsContact O-N 3.16Å; V21-Y24 PolarHBondContact O-N 2.97Å; V21-Y24 VanDerWaalsContact O-N 3.14Å; Y24-N29 PolarHBondContact O-ND2 3.37Å; Y24-F36 AromaticContact CD1-CE2 3.52Å; Y24-F36 HydrophobicContact CD1-CE2 3.52Å; Y24-F36 AromaticContact CD1-CZ 3.57Å; Y24-F36 HydrophobicContact CD1-CZ 3.57Å; Y24-F36 HydrophobicContact CD2-CZ 4.46Å; Y24-F36 HydrophobicContact CE1-CE2 4.21Å; Y24-F36 HydrophobicContact CE1-CZ 4.08Å; Y24-F36 HydrophobicContact CG-CE2 4.04Å; Y24-F36 AromaticContact CG-CZ 3.79Å; Y24-F36 HydrophobicContact CG-CZ 3.79Å; Y24-L53 HydrophobicContact CD2-CD2 3.77Å; Y24-L53 HydrophobicContact CE2-CD2 4.42Å; Y24-L53 HydrophobicContact CG-CD2 4.38Å; Y24-C56 HydrophobicContact CE2-CB 4.22Å; Y24-C56 VanDerWaalsContact OH-CB 3.31Å; Y24-C56 WeakPolarHBondContact OH-CB 3.37Å; Y24-M59 HydrophobicContact CE2-CG 3.75Å; Y24-M59 HydrophobicContact CE2-SD 4.01Å
25	L	91	Very high	90.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	10.6	178.8	-74.5	169.5	0	0	0	113.8	V21 E22 F23 L30 M40 I48 L79 I88 R90	V21-L25 PolarHBondContact O-N 3.28Å; E22-L25 CarbonylContact O-C 3.26Å; E22-L25 PolarHBondContact O-N 3.41Å; F23-L25 PolarHBondContact O-N 2.85Å; L25-L30 WeakPolarHBondContact O-CD1 3.46Å; L25-M40 HydrophobicContact CD2-CE 4.28Å; L25-M40 HydrophobicContact CD2-CG 4.41Å; L25-M40 HydrophobicContact CD2-SD 3.71Å; L25-I48 HydrophobicContact CD1-CD1 4.49Å; L25-I48 HydrophobicContact CD2-CD1 3.25Å; L25-I48 HydrophobicContact CD2-CG1 3.91Å; L25-I48 HydrophobicContact CG-CD1 3.94Å; L25-L79 HydrophobicContact CB-CD2 3.89Å; L25-L79 HydrophobicContact CD1-CD1 4.26Å; L25-L79 HydrophobicContact CD1-CD2 3.42Å; L25-L79 VanDerWaalsContact CD1-CD2 3.42Å; L25-L79 HydrophobicContact CD1-CG 4.47Å; L25-L79 HydrophobicContact CG-CD2 4.28Å; L25-I88 HydrophobicContact CD1-CG2 3.95Å; L25-R90 PolarHBondContact O-NH1 2.93Å
26	S	90.3	Very high	90.3	Very high	12 Å²	12	35.9 Å²	35.9	8%	0.084	17%	0.171	C	C	.	.	S	Bend	trans	-77.8	152.9	178.9	70.7	0	0	0	0	111.8	E22 F23 G28 N29 L30	E22-S26 WeakPolarHBondContact O-CA 3.38Å; E22-S26 WeakPolarHBondContact O-CB 3.43Å; E22-S26 PolarHBondContact O-N 3.33Å; F23-S26 WeakPolarHBondContact O-CB 3.35Å; F23-S26 PolarHBondContact O-N 2.92Å; F23-S26 PolarHBondContact O-OG 3.46Å; S26-G28 PolarHBondContact O-N 3.33Å; S26-N29 PolarHBondContact O-N 2.73Å; S26-N29 VanDerWaalsContact O-N 3.12Å; S26-N29 PolarHBondContact OG-N 2.88Å; S26-L30 WeakPolarHBondContact O-CG 3.25Å; S26-L30 PolarHBondContact O-N 3.16Å
27	E	89.5	Confident	90.2	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-56.4	-33.7	174.1	-66.2	87.7	152.1	0	0	111.6	N31 R90 L94 L97	E27-N31 VanDerWaalsContact O-CB 3.23Å; E27-N31 WeakPolarHBondContact O-CB 3.41Å; E27-N31 PolarHBondContact O-N 2.91Å; E27-N31 PolarHBondContact O-ND2 2.97Å; E27-R90 IonicContact OE1-CZ 3.8Å; E27-R90 IonicContact OE1-NH1 3.48Å; E27-R90 IonicContact OE1-NH2 2.99Å; E27-R90 PolarHBondContact OE1-NH2 3.28Å; E27-R90 IonicContact OE2-CZ 3.16Å; E27-R90 IonicContact OE2-NH1 3.35Å; E27-R90 PolarHBondContact OE2-NH1 3.28Å; E27-R90 IonicContact OE2-NH2 3.68Å; E27-R90 PolarHBondContact OE2-NH2 2.88Å; E27-L94 HydrophobicContact CG-CD2 4.03Å; E27-L97 HydrophobicContact CB-CD1 3.94Å
28	G	87.2	Confident	90.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-40.9	178.3	0	0	0	0	0	113.2	S26	S26-G28 PolarHBondContact O-N 3.33Å
29	N	91.3	Very high	90.1	Very high	13 Å²	13	43 Å²	43	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-78.3	-47.9	179.7	-170.3	57.8	0	0	0	111.6	F23 Y24 S26 N31 R32 D33 F36	F23-N29 HydrophobicContact CE2-CB 4.47Å; F23-N29 HydrophobicContact CZ-CB 4.33Å; F23-N29 WeakPolarHBondContact O-CB 3.48Å; Y24-N29 PolarHBondContact O-ND2 3.37Å; S26-N29 PolarHBondContact O-N 2.73Å; S26-N29 VanDerWaalsContact O-N 3.12Å; S26-N29 PolarHBondContact OG-N 2.88Å; N29-N31 PolarHBondContact O-N 2.83Å; N29-R32 PolarHBondContact O-N 2.97Å; N29-D33 PolarHBondContact O-N 2.86Å; N29-F36 VanDerWaalsContact ND2-CD2 3.25Å; N29-F36 WeakPolarHBondContact ND2-CD2 3.46Å
30	L	89.9	Confident	90	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-25.7	-177.8	-66	172.5	0	0	0	113.8	L25 S26 F36 K37 M40 L94	L25-L30 WeakPolarHBondContact O-CD1 3.46Å; S26-L30 WeakPolarHBondContact O-CG 3.25Å; S26-L30 PolarHBondContact O-N 3.16Å; L30-F36 HydrophobicContact CD2-CB 3.85Å; L30-K37 HydrophobicContact CD2-CB 4.4Å; L30-M40 HydrophobicContact CD1-SD 4.23Å; L30-M40 HydrophobicContact CD2-SD 3.86Å; L30-L94 HydrophobicContact CD1-CD1 4.5Å; L30-L94 HydrophobicContact CD1-CD2 3.7Å
31	N	86.8	Confident	89.8	Confident	93 Å²	93	46.7 Å²	46.7	50%	0.497	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-18.2	175	-73	-24.2	0	0	0	113.8	E27 N29	E27-N31 VanDerWaalsContact O-CB 3.23Å; E27-N31 WeakPolarHBondContact O-CB 3.41Å; E27-N31 PolarHBondContact O-N 2.91Å; E27-N31 PolarHBondContact O-ND2 2.97Å; N29-N31 PolarHBondContact O-N 2.83Å
32	R	82.6	Confident	89.7	Confident	101 Å²	101	53.5 Å²	53.5	38%	0.381	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-46.9	-178	-102.4	-177.2	170.7	-121.9	15.7	112.5	N29 R100 S167	N29-R32 PolarHBondContact O-N 2.97Å; R32-R100 VanDerWaalsContact CZ-NH2 3.32Å; R32-S167 PolarHBondContact NH2-OG 3.34Å
33	D	83.5	Confident	89.4	Confident	75 Å²	75	54.4 Å²	54.4	40%	0.401	26%	0.255	S	S	.	.			trans	-114.3	122.9	-174.6	-167.7	-15.6	0	0	0	109.5	N29 F35	N29-D33 PolarHBondContact O-N 2.86Å; D33-F35 PolarHBondContact O-N 3.27Å; D33-F35 VanDerWaalsContact OD1-CB 3.29Å; D33-F35 WeakPolarHBondContact OD1-CB 3.36Å; D33-F35 PolarHBondContact OD1-N 3.5Å
34	S	85.1	Confident	89.1	Confident	64 Å²	64	61.4 Å²	61.4	45%	0.448	29%	0.294	S	S	.	.	H	α-helix	trans	-75	-13.1	179.1	62.1	0	0	0	0	112.9	K37 Q38	S34-K37 PolarHBondContact O-N 3.47Å; S34-Q38 WeakPolarHBondContact O-CB 3.36Å; S34-Q38 VanDerWaalsContact O-CG 3.24Å; S34-Q38 WeakPolarHBondContact O-CG 3.48Å; S34-Q38 PolarHBondContact O-N 3.05Å; S34-Q38 PolarHBondContact OG-NE2 3.39Å
35	F	92.2	Very high	88.9	Confident	82 Å²	82	63.1 Å²	63.1	36%	0.36	31%	0.305	S	S	.	.	H	α-helix	trans	-53.4	-62.7	-174.7	176.5	-103.7	0	0	0	112.3	D33 K37 Q38 E39 L52	D33-F35 PolarHBondContact O-N 3.27Å; D33-F35 VanDerWaalsContact OD1-CB 3.29Å; D33-F35 WeakPolarHBondContact OD1-CB 3.36Å; D33-F35 PolarHBondContact OD1-N 3.5Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.38Å; F35-Q38 PolarHBondContact O-N 2.95Å; F35-E39 HydrophobicContact CE1-CG 4.47Å; F35-E39 HydrophobicContact CE2-CG 4.36Å; F35-E39 HydrophobicContact CZ-CG 4.26Å; F35-E39 WeakPolarHBondContact O-CG 3.49Å; F35-E39 PolarHBondContact O-N 3.23Å; F35-L52 HydrophobicContact CE1-CD2 4.12Å; F35-L52 HydrophobicContact CZ-CD1 4.09Å; F35-L52 HydrophobicContact CZ-CD2 4.11Å; F35-L52 HydrophobicContact CZ-CG 4.42Å
36	F	91.2	Very high	88.7	Confident	11 Å²	11	64.2 Å²	64.2	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-32.5	-179.9	-69.1	-67.1	0	0	0	112.3	Y24 N29 L30 Q38 E39 M40 I48 L53	Y24-F36 AromaticContact CD1-CE2 3.52Å; Y24-F36 HydrophobicContact CD1-CE2 3.52Å; Y24-F36 AromaticContact CD1-CZ 3.57Å; Y24-F36 HydrophobicContact CD1-CZ 3.57Å; Y24-F36 HydrophobicContact CD2-CZ 4.46Å; Y24-F36 HydrophobicContact CE1-CE2 4.21Å; Y24-F36 HydrophobicContact CE1-CZ 4.08Å; Y24-F36 HydrophobicContact CG-CE2 4.04Å; Y24-F36 AromaticContact CG-CZ 3.79Å; Y24-F36 HydrophobicContact CG-CZ 3.79Å; N29-F36 VanDerWaalsContact ND2-CD2 3.25Å; N29-F36 WeakPolarHBondContact ND2-CD2 3.46Å; L30-F36 HydrophobicContact CD2-CB 3.85Å; F36-Q38 VanDerWaalsContact C-N 3.3Å; F36-Q38 PolarHBondContact O-N 3.46Å; F36-E39 PolarHBondContact O-N 3.39Å; F36-M40 WeakPolarHBondContact O-CB 3.28Å; F36-M40 WeakPolarHBondContact O-CG 3.47Å; F36-M40 PolarHBondContact O-N 3.35Å; F36-I48 HydrophobicContact CB-CD1 3.98Å; F36-I48 HydrophobicContact CD1-CD1 3.65Å; F36-I48 HydrophobicContact CD1-CG2 4.42Å; F36-I48 HydrophobicContact CG-CD1 4.18Å; F36-L53 HydrophobicContact CE1-CD2 4.12Å
37	K	89.3	Confident	88.7	Confident	108 Å²	108	63.6 Å²	63.6	47%	0.47	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-39.4	174.7	-173.5	176.9	-178.9	176.3	0	112	L30 S34 F35 Q41	L30-K37 HydrophobicContact CD2-CB 4.4Å; S34-K37 PolarHBondContact O-N 3.47Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.38Å; K37-Q41 WeakPolarHBondContact O-CG 3.27Å; K37-Q41 PolarHBondContact O-N 3.2Å
38	Q	92.5	Very high	88.9	Confident	89 Å²	89	63 Å²	63	42%	0.416	31%	0.309	S	S	.	.	H	α-helix	trans	-72.8	-41	176.3	-73.5	171	10.1	0	0	111.5	S34 F35 F36 M40 Q41 K42	S34-Q38 WeakPolarHBondContact O-CB 3.36Å; S34-Q38 VanDerWaalsContact O-CG 3.24Å; S34-Q38 WeakPolarHBondContact O-CG 3.48Å; S34-Q38 PolarHBondContact O-N 3.05Å; S34-Q38 PolarHBondContact OG-NE2 3.39Å; F35-Q38 PolarHBondContact O-N 2.95Å; F36-Q38 VanDerWaalsContact C-N 3.3Å; F36-Q38 PolarHBondContact O-N 3.46Å; Q38-M40 VanDerWaalsContact C-N 3.31Å; Q38-M40 PolarHBondContact O-N 2.95Å; Q38-Q41 WeakPolarHBondContact O-CB 3.35Å; Q38-Q41 PolarHBondContact O-N 2.8Å; Q38-Q41 VanDerWaalsContact O-N 3.13Å; Q38-K42 PolarHBondContact O-N 3.05Å
39	E	90.8	Very high	89.3	Confident	34 Å²	34	64.9 Å²	64.9	16%	0.159	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-37.9	176.6	-67.7	-61.8	141.6	0	0	112.2	F35 F36 Q41 K42 L52	F35-E39 HydrophobicContact CE1-CG 4.47Å; F35-E39 HydrophobicContact CE2-CG 4.36Å; F35-E39 HydrophobicContact CZ-CG 4.26Å; F35-E39 WeakPolarHBondContact O-CG 3.49Å; F35-E39 PolarHBondContact O-N 3.23Å; F36-E39 PolarHBondContact O-N 3.39Å; E39-Q41 VanDerWaalsContact C-N 3.29Å; E39-Q41 PolarHBondContact O-N 3.06Å; E39-K42 VanDerWaalsContact CD-NZ 3.33Å; E39-K42 WeakPolarHBondContact O-CB 3.32Å; E39-K42 PolarHBondContact O-N 3.39Å; E39-K42 WeakPolarHBondContact OE1-CE 3.46Å; E39-K42 IonicContact OE1-NZ 2.67Å; E39-K42 PolarHBondContact OE1-NZ 3.25Å; E39-K42 IonicContact OE2-NZ 3.9Å; E39-K42 PolarHBondContact OE2-NZ 2.85Å; E39-L52 HydrophobicContact CB-CD2 4.08Å; E39-L52 HydrophobicContact CG-CD2 3.68Å
40	M	90.3	Very high	89.4	Confident	36 Å²	36	64.3 Å²	64.3	18%	0.177	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-35.9	172.9	-70.5	172.4	71.8	0	0	112.3	L25 L30 F36 Q38 K42 G46 I48	L25-M40 HydrophobicContact CD2-CE 4.28Å; L25-M40 HydrophobicContact CD2-CG 4.41Å; L25-M40 HydrophobicContact CD2-SD 3.71Å; L30-M40 HydrophobicContact CD1-SD 4.23Å; L30-M40 HydrophobicContact CD2-SD 3.86Å; F36-M40 WeakPolarHBondContact O-CB 3.28Å; F36-M40 WeakPolarHBondContact O-CG 3.47Å; F36-M40 PolarHBondContact O-N 3.35Å; Q38-M40 VanDerWaalsContact C-N 3.31Å; Q38-M40 PolarHBondContact O-N 2.95Å; M40-K42 PolarHBondContact O-N 3.29Å; M40-G46 WeakPolarHBondContact CE-O 3.49Å; M40-G46 WeakPolarHBondContact CG-O 3.33Å; M40-G46 WeakPolarHBondContact O-CA 3.49Å; M40-I48 HydrophobicContact CG-CD1 3.82Å; M40-I48 HydrophobicContact CG-CG1 3.61Å; M40-I48 HydrophobicContact SD-CD1 4.34Å
41	Q	89.6	Confident	89.6	Confident	143 Å²	143	69 Å²	69	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-71	-17.2	179.2	-72.5	173.3	-14.2	0	0	113.7	K37 Q38 E39	K37-Q41 WeakPolarHBondContact O-CG 3.27Å; K37-Q41 PolarHBondContact O-N 3.2Å; Q38-Q41 WeakPolarHBondContact O-CB 3.35Å; Q38-Q41 PolarHBondContact O-N 2.8Å; Q38-Q41 VanDerWaalsContact O-N 3.13Å; E39-Q41 VanDerWaalsContact C-N 3.29Å; E39-Q41 PolarHBondContact O-N 3.06Å
42	K	91.1	Very high	89.9	Confident	143 Å²	143	66.3 Å²	66.3	62%	0.622	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-21.1	-179.1	-68.4	177.5	-177.1	176.1	0	113.4	Q38 E39 M40	Q38-K42 PolarHBondContact O-N 3.05Å; E39-K42 VanDerWaalsContact CD-NZ 3.33Å; E39-K42 WeakPolarHBondContact O-CB 3.32Å; E39-K42 PolarHBondContact O-N 3.39Å; E39-K42 WeakPolarHBondContact OE1-CE 3.46Å; E39-K42 IonicContact OE1-NZ 2.67Å; E39-K42 PolarHBondContact OE1-NZ 3.25Å; E39-K42 IonicContact OE2-NZ 3.9Å; E39-K42 PolarHBondContact OE2-NZ 2.85Å; M40-K42 PolarHBondContact O-N 3.29Å
43	R	88	Confident	90.5	Very high	67 Å²	67	61.5 Å²	61.5	25%	0.253	31%	0.311	S	S	.	.	S	Bend	trans	-108.4	141.8	178	-67.6	-177.7	54.8	94.1	0.4	110	D45 G46 G47 D84	R43-D45 WeakPolarHBondContact CB-OD1 3.33Å; R43-D45 IonicContact CZ-OD1 2.9Å; R43-D45 IonicContact CZ-OD2 3.56Å; R43-D45 IonicContact NE-OD1 2.89Å; R43-D45 PolarHBondContact NE-OD1 3.47Å; R43-D45 IonicContact NE-OD2 2.65Å; R43-D45 IonicContact NH2-OD1 3.67Å; R43-D45 IonicContact NH2-OD2 3.55Å; R43-D45 PolarHBondContact NH2-OD2 3.15Å; R43-D45 PolarHBondContact O-N 3.01Å; R43-G46 PolarHBondContact O-N 2.96Å; R43-G47 WeakPolarHBondContact CD-O 3.29Å; R43-D84 IonicContact NH2-OD2 2.7Å
44	D	86.7	Confident	90.9	Very high	181 Å²	181	60 Å²	60	97%	0.968	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-31	-179.8	-56.4	-41.1	0	0	0	112.4	G46	D44-G46 VanDerWaalsContact C-N 3.27Å; D44-G46 PolarHBondContact O-N 3.26Å
45	D	87.8	Confident	91.4	Very high	54 Å²	54	64.1 Å²	64.1	29%	0.289	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.7	177.2	65.2	-3.3	0	0	0	113.8	R43 G47 S82 V89	R43-D45 WeakPolarHBondContact CB-OD1 3.33Å; R43-D45 IonicContact CZ-OD1 2.9Å; R43-D45 IonicContact CZ-OD2 3.56Å; R43-D45 IonicContact NE-OD1 2.89Å; R43-D45 PolarHBondContact NE-OD1 3.47Å; R43-D45 IonicContact NE-OD2 2.65Å; R43-D45 IonicContact NH2-OD1 3.67Å; R43-D45 IonicContact NH2-OD2 3.55Å; R43-D45 PolarHBondContact NH2-OD2 3.15Å; R43-D45 PolarHBondContact O-N 3.01Å; D45-G47 PolarHBondContact O-N 3.42Å; D45-G47 WeakPolarHBondContact OD1-CA 3.38Å; D45-G47 PolarHBondContact OD1-N 2.95Å; D45-S82 WeakPolarHBondContact OD2-CB 3.38Å; D45-S82 PolarHBondContact OD2-OG 2.69Å; D45-V89 HydrophobicContact CB-CG2 4.27Å; D45-V89 WeakPolarHBondContact O-CG1 3.5Å
46	G	87.4	Confident	91.4	Very high	23 Å²	23	61.2 Å²	61.2	24%	0.237	30%	0.302	C	S	.	.			trans	67.4	13	-174.1	0	0	0	0	0	113.8	M40 R43 D44	M40-G46 WeakPolarHBondContact CE-O 3.49Å; M40-G46 WeakPolarHBondContact CG-O 3.33Å; M40-G46 WeakPolarHBondContact O-CA 3.49Å; R43-G46 PolarHBondContact O-N 2.96Å; D44-G46 VanDerWaalsContact C-N 3.27Å; D44-G46 PolarHBondContact O-N 3.26Å
47	G	90.7	Very high	91.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.331	C	S	.	.			trans	-80.9	161.2	-175.4	0	0	0	0	0	113.7	R43 D45 I88	R43-G47 WeakPolarHBondContact CD-O 3.29Å; D45-G47 PolarHBondContact O-N 3.42Å; D45-G47 WeakPolarHBondContact OD1-CA 3.38Å; D45-G47 PolarHBondContact OD1-N 2.95Å; G47-I88 WeakPolarHBondContact CA-O 3.38Å
48	I	93.7	Very high	91.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.3	172	-56.7	-171.7	0	0	0	108.9	L25 F36 M40 L52 L53 A87 I88	L25-I48 HydrophobicContact CD1-CD1 4.49Å; L25-I48 HydrophobicContact CD2-CD1 3.25Å; L25-I48 HydrophobicContact CD2-CG1 3.91Å; L25-I48 HydrophobicContact CG-CD1 3.94Å; F36-I48 HydrophobicContact CB-CD1 3.98Å; F36-I48 HydrophobicContact CD1-CD1 3.65Å; F36-I48 HydrophobicContact CD1-CG2 4.42Å; F36-I48 HydrophobicContact CG-CD1 4.18Å; M40-I48 HydrophobicContact CG-CD1 3.82Å; M40-I48 HydrophobicContact CG-CG1 3.61Å; M40-I48 HydrophobicContact SD-CD1 4.34Å; I48-L52 HydrophobicContact CG2-CB 4.48Å; I48-L52 HydrophobicContact CG2-CD2 3.96Å; I48-L53 HydrophobicContact CG2-CD1 4.34Å; I48-L53 HydrophobicContact CG2-CD2 4.1Å; I48-L53 HydrophobicContact CG2-CG 3.96Å; I48-A87 CarbonylContact O-C 3.56Å; I48-A87 VanDerWaalsContact O-CA 3.28Å; I48-A87 WeakPolarHBondContact O-CA 3.49Å; I48-A87 WeakPolarHBondContact O-CB 3.49Å; I48-I88 PolarHBondContact N-O 3.06Å; I48-I88 PolarHBondContact O-N 2.93Å
49	P	94.7	Very high	91.5	Very high	39 Å²	39	58.7 Å²	58.7	25%	0.253	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	138.1	177.9	-25.1	33.9	0	0	0	112.5	D51 L52 L53	P49-D51 VanDerWaalsContact C-N 3.27Å; P49-D51 PolarHBondContact O-N 3.07Å; P49-L52 HydrophobicContact CB-CB 4.38Å; P49-L52 WeakPolarHBondContact O-CB 3.38Å; P49-L52 PolarHBondContact O-N 3.3Å; P49-L52 VanDerWaalsContact O-N 3.1Å; P49-L53 PolarHBondContact O-N 3.31Å
50	I	93.9	Very high	91.5	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-59	-41.9	177.7	-69.7	167.9	0	0	0	110.7	L52 L53 L54 E66 L69 K70 L81 L86 I88	I50-L52 PolarHBondContact O-N 3Å; I50-L52 VanDerWaalsContact O-N 3.13Å; I50-L53 WeakPolarHBondContact O-CB 3.2Å; I50-L53 PolarHBondContact O-N 3.48Å; I50-L54 HydrophobicContact CG2-CD1 3.92Å; I50-L54 HydrophobicContact CG2-CG 4.12Å; I50-L54 WeakPolarHBondContact O-CG 3.48Å; I50-L54 PolarHBondContact O-N 3.04Å; I50-E66 HydrophobicContact CG2-CB 4.43Å; I50-E66 HydrophobicContact CG2-CG 3.96Å; I50-L69 HydrophobicContact CG1-CD2 4.45Å; I50-L69 HydrophobicContact CG2-CD2 3.78Å; I50-K70 HydrophobicContact CD1-CD 4.47Å; I50-K70 HydrophobicContact CD1-CG 4.06Å; I50-L81 HydrophobicContact CD1-CD1 4.03Å; I50-L86 PolarHBondContact N-O 3.36Å; I50-I88 HydrophobicContact CG1-CD1 4.2Å; I50-I88 HydrophobicContact CG1-CG1 4.2Å
51	D	93.5	Very high	91.4	Very high	104 Å²	104	62.7 Å²	62.7	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-53.9	-34.7	176.4	-66	-4.6	0	0	0	113.6	P49 K55	P49-D51 VanDerWaalsContact C-N 3.27Å; P49-D51 PolarHBondContact O-N 3.07Å; D51-K55 VanDerWaalsContact O-CG 3.31Å; D51-K55 WeakPolarHBondContact O-CG 3.32Å; D51-K55 PolarHBondContact O-N 3.12Å
52	L	93.7	Very high	91.3	Very high	37 Å²	37	57.5 Å²	57.5	19%	0.194	30%	0.302	C	S	.	.	H	α-helix	trans	-73.3	-41.5	178.9	-172.7	71	0	0	0	111.1	F35 E39 I48 P49 I50 L54 K55 C56	F35-L52 HydrophobicContact CE1-CD2 4.12Å; F35-L52 HydrophobicContact CZ-CD1 4.09Å; F35-L52 HydrophobicContact CZ-CD2 4.11Å; F35-L52 HydrophobicContact CZ-CG 4.42Å; E39-L52 HydrophobicContact CB-CD2 4.08Å; E39-L52 HydrophobicContact CG-CD2 3.68Å; I48-L52 HydrophobicContact CG2-CB 4.48Å; I48-L52 HydrophobicContact CG2-CD2 3.96Å; P49-L52 HydrophobicContact CB-CB 4.38Å; P49-L52 WeakPolarHBondContact O-CB 3.38Å; P49-L52 PolarHBondContact O-N 3.3Å; P49-L52 VanDerWaalsContact O-N 3.1Å; I50-L52 PolarHBondContact O-N 3Å; I50-L52 VanDerWaalsContact O-N 3.13Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-K55 PolarHBondContact O-N 3.19Å; L52-C56 PolarHBondContact O-SG 3.49Å
53	L	93.9	Very high	91.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-42.2	177.9	-66.9	168.1	0	0	0	110.7	V21 Y24 F36 I48 P49 I50 K55 C56 M59 L69 I88	V21-L53 HydrophobicContact CG1-CD1 4.48Å; Y24-L53 HydrophobicContact CD2-CD2 3.77Å; Y24-L53 HydrophobicContact CE2-CD2 4.42Å; Y24-L53 HydrophobicContact CG-CD2 4.38Å; F36-L53 HydrophobicContact CE1-CD2 4.12Å; I48-L53 HydrophobicContact CG2-CD1 4.34Å; I48-L53 HydrophobicContact CG2-CD2 4.1Å; I48-L53 HydrophobicContact CG2-CG 3.96Å; P49-L53 PolarHBondContact O-N 3.31Å; I50-L53 WeakPolarHBondContact O-CB 3.2Å; I50-L53 PolarHBondContact O-N 3.48Å; L53-K55 PolarHBondContact O-N 2.92Å; L53-C56 VanDerWaalsContact O-CB 3.24Å; L53-C56 WeakPolarHBondContact O-CB 3.49Å; L53-C56 PolarHBondContact O-N 2.87Å; L53-M59 VanDerWaalsContact O-CB 3.31Å; L53-M59 WeakPolarHBondContact O-CB 3.45Å; L53-M59 WeakPolarHBondContact O-CG 3.37Å; L53-L69 HydrophobicContact CB-CD2 4.44Å; L53-I88 HydrophobicContact CD1-CB 4.41Å; L53-I88 HydrophobicContact CD1-CD1 3.59Å; L53-I88 HydrophobicContact CD1-CG1 4.44Å
54	L	93.6	Very high	91.4	Very high	44 Å²	44	54.9 Å²	54.9	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-63.1	-25.2	177	-65.4	178.9	0	0	0	113.3	I50 L52 C56 I60 V64 E66 L69	I50-L54 HydrophobicContact CG2-CD1 3.92Å; I50-L54 HydrophobicContact CG2-CG 4.12Å; I50-L54 WeakPolarHBondContact O-CG 3.48Å; I50-L54 PolarHBondContact O-N 3.04Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L54-C56 VanDerWaalsContact C-N 3.3Å; L54-C56 PolarHBondContact O-N 3.33Å; L54-I60 WeakPolarHBondContact O-CG1 3.21Å; L54-V64 HydrophobicContact CD2-CB 4.37Å; L54-V64 HydrophobicContact CD2-CG1 4.27Å; L54-V64 WeakPolarHBondContact CD2-O 3.29Å; L54-E66 HydrophobicContact CD1-CB 4.35Å; L54-L69 HydrophobicContact CD2-CD2 4.31Å
55	K	93.9	Very high	91.6	Very high	150 Å²	150	49.4 Å²	49.4	65%	0.652	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.8	174.4	-71.6	170.3	-173.8	174.5	0	113.9	D51 L52 L53 I60	D51-K55 VanDerWaalsContact O-CG 3.31Å; D51-K55 WeakPolarHBondContact O-CG 3.32Å; D51-K55 PolarHBondContact O-N 3.12Å; L52-K55 PolarHBondContact O-N 3.19Å; L53-K55 PolarHBondContact O-N 2.92Å; K55-I60 WeakPolarHBondContact O-CD1 3.14Å
56	C	92.8	Very high	91.8	Very high	21 Å²	21	50 Å²	50	14%	0.142	27%	0.274	C	S	.	.	S	Bend	trans	-72	132.8	179.8	-67	0	0	0	0	110.8	Y24 L52 L53 L54 R58 M59 I60	Y24-C56 HydrophobicContact CE2-CB 4.22Å; Y24-C56 VanDerWaalsContact OH-CB 3.31Å; Y24-C56 WeakPolarHBondContact OH-CB 3.37Å; L52-C56 PolarHBondContact O-SG 3.49Å; L53-C56 VanDerWaalsContact O-CB 3.24Å; L53-C56 WeakPolarHBondContact O-CB 3.49Å; L53-C56 PolarHBondContact O-N 2.87Å; L54-C56 VanDerWaalsContact C-N 3.3Å; L54-C56 PolarHBondContact O-N 3.33Å; C56-R58 PolarHBondContact O-N 3.27Å; C56-M59 HydrophobicContact CB-CB 4.4Å; C56-M59 HydrophobicContact CB-CG 4.07Å; C56-M59 WeakPolarHBondContact O-CA 3.4Å; C56-M59 WeakPolarHBondContact O-CB 3.32Å; C56-M59 PolarHBondContact O-N 3Å; C56-I60 PolarHBondContact O-N 3.38Å
57	N	91	Very high	91.9	Very high	125 Å²	125	54.8 Å²	54.8	67%	0.668	29%	0.294	S	S	*	.	H	α-helix	trans	-48.1	-38.1	-175.1	-67.1	-13.9	0	0	0	114.6	A61 W147	N57-A61 WeakPolarHBondContact O-CB 3.42Å; N57-A61 PolarHBondContact O-N 3.32Å; N57-A61 VanDerWaalsContact O-N 3.07Å; N57-W147 HydrophobicContact CB-CH2 4.24Å; N57-W147 HydrophobicContact CB-CZ2 4.14Å; N57-W147 WeakPolarHBondContact O-CH2 3.46Å
58	R	91.5	Very high	91.9	Very high	28 Å²	28	57.7 Å²	57.7	11%	0.106	31%	0.309	C	S	.	.	H	α-helix	trans	-75.7	-34.7	-179.7	-169.3	163.5	176.7	-179.5	15.7	112.9	Q20 C56 A61 M62 W147 D151	Q20-R58 VanDerWaalsContact CD-CD 3.46Å; Q20-R58 HydrophobicContact CG-CG 4.17Å; C56-R58 PolarHBondContact O-N 3.27Å; R58-A61 PolarHBondContact O-N 2.96Å; R58-M62 HydrophobicContact CG-SD 4.2Å; R58-M62 VanDerWaalsContact O-CG 3.28Å; R58-M62 WeakPolarHBondContact O-CG 3.45Å; R58-M62 PolarHBondContact O-N 3.39Å; R58-W147 HydrophobicContact CB-CD2 4.27Å; R58-W147 HydrophobicContact CB-CH2 4.04Å; R58-W147 HydrophobicContact CB-CZ2 3.66Å; R58-W147 HydrophobicContact CB-CZ3 4.48Å; R58-W147 HydrophobicContact CG-CD2 3.84Å; R58-W147 HydrophobicContact CG-CE3 4.07Å; R58-W147 HydrophobicContact CG-CG 4.29Å; R58-W147 HydrophobicContact CG-CH2 4.42Å; R58-W147 HydrophobicContact CG-CZ2 4.17Å; R58-W147 HydrophobicContact CG-CZ3 4.38Å; R58-D151 IonicContact CZ-OD1 3.64Å; R58-D151 IonicContact CZ-OD2 3.35Å; R58-D151 IonicContact NH1-OD1 2.95Å; R58-D151 PolarHBondContact NH1-OD1 3.48Å; R58-D151 IonicContact NH2-OD1 2.95Å; R58-D151 PolarHBondContact NH2-OD1 2.94Å; R58-D151 IonicContact NH2-OD2 3.72Å; R58-D151 PolarHBondContact NH2-OD2 3.4Å
59	M	92.5	Very high	91.9	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-68.2	-41.2	174.6	-62.1	-61.2	-71.9	0	0	111	I17 Q20 V21 Y24 L53 C56 M62 N63 V64 L69	I17-M59 HydrophobicContact CG2-CE 4.26Å; Q20-M59 HydrophobicContact CB-SD 4.47Å; Q20-M59 HydrophobicContact CG-SD 3.96Å; V21-M59 HydrophobicContact CG2-CE 3.86Å; V21-M59 HydrophobicContact CG2-SD 4.25Å; Y24-M59 HydrophobicContact CE2-CG 3.75Å; Y24-M59 HydrophobicContact CE2-SD 4.01Å; L53-M59 VanDerWaalsContact O-CB 3.31Å; L53-M59 WeakPolarHBondContact O-CB 3.45Å; L53-M59 WeakPolarHBondContact O-CG 3.37Å; C56-M59 HydrophobicContact CB-CB 4.4Å; C56-M59 HydrophobicContact CB-CG 4.07Å; C56-M59 WeakPolarHBondContact O-CA 3.4Å; C56-M59 WeakPolarHBondContact O-CB 3.32Å; C56-M59 PolarHBondContact O-N 3Å; M59-M62 PolarHBondContact O-N 3.05Å; M59-N63 PolarHBondContact O-N 3.01Å; M59-V64 HydrophobicContact CE-CB 3.91Å; M59-V64 HydrophobicContact CE-CG1 3.75Å; M59-V64 HydrophobicContact CE-CG2 3.83Å; M59-V64 PolarHBondContact O-N 2.95Å; M59-V64 HydrophobicContact SD-CG2 4.4Å; M59-L69 HydrophobicContact CE-CD1 3.93Å
60	I	91.2	Very high	91.8	Very high	95 Å²	95	59 Å²	59	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-59.2	-48.2	173.5	-62.1	172.6	0	0	0	110.3	L54 K55 C56 M62 N63	L54-I60 WeakPolarHBondContact O-CG1 3.21Å; K55-I60 WeakPolarHBondContact O-CD1 3.14Å; C56-I60 PolarHBondContact O-N 3.38Å; I60-M62 PolarHBondContact O-N 3.45Å; I60-N63 PolarHBondContact O-N 3.41Å; I60-N63 PolarHBondContact O-OD1 3.14Å
61	A	88	Confident	91.6	Very high	59 Å²	59	64.5 Å²	64.5	49%	0.488	34%	0.34	S	S	.	.	H	α-helix	trans	-65	-23.2	-178.8	0	0	0	0	0	114.1	N57 R58 W147	N57-A61 WeakPolarHBondContact O-CB 3.42Å; N57-A61 PolarHBondContact O-N 3.32Å; N57-A61 VanDerWaalsContact O-N 3.07Å; R58-A61 PolarHBondContact O-N 2.96Å; A61-W147 HydrophobicContact CB-CE3 4.34Å; A61-W147 HydrophobicContact CB-CH2 3.83Å; A61-W147 HydrophobicContact CB-CZ3 3.33Å
62	M	88.2	Confident	91.5	Very high	35 Å²	35	59.8 Å²	59.8	17%	0.172	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.2	176.4	-68.1	174.6	70.5	0	0	113	K16 I17 R58 M59 I60 V64	K16-M62 HydrophobicContact CB-CE 3.64Å; I17-M62 HydrophobicContact CB-CE 4.3Å; I17-M62 HydrophobicContact CG1-CE 3.46Å; I17-M62 VanDerWaalsContact CG1-CE 3.46Å; R58-M62 HydrophobicContact CG-SD 4.2Å; R58-M62 VanDerWaalsContact O-CG 3.28Å; R58-M62 WeakPolarHBondContact O-CG 3.45Å; R58-M62 PolarHBondContact O-N 3.39Å; M59-M62 PolarHBondContact O-N 3.05Å; I60-M62 PolarHBondContact O-N 3.45Å; M62-V64 VanDerWaalsContact C-N 3.25Å; M62-V64 HydrophobicContact CB-CG2 3.78Å; M62-V64 PolarHBondContact O-N 3.25Å
63	N	89.3	Confident	91.5	Very high	137 Å²	137	58.1 Å²	58.1	73%	0.733	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	41.5	-177.6	-66.1	-25.8	0	0	0	113.3	M59 I60 T65	M59-N63 PolarHBondContact O-N 3.01Å; I60-N63 PolarHBondContact O-N 3.41Å; I60-N63 PolarHBondContact O-OD1 3.14Å; N63-T65 PolarHBondContact O-N 3.22Å
64	V	91.4	Very high	91.2	Very high	17 Å²	17	61.4 Å²	61.4	10%	0.103	34%	0.341	C	S	.	.			trans	-73.4	128.8	-178.6	-174.7	0	0	0	0	110.1	I17 L54 M59 M62 L69	I17-V64 HydrophobicContact CD1-CG1 4.42Å; I17-V64 HydrophobicContact CD1-CG2 3.78Å; I17-V64 HydrophobicContact CG1-CG2 3.76Å; I17-V64 HydrophobicContact CG2-CG1 4.09Å; I17-V64 HydrophobicContact CG2-CG2 4.15Å; L54-V64 HydrophobicContact CD2-CB 4.37Å; L54-V64 HydrophobicContact CD2-CG1 4.27Å; L54-V64 WeakPolarHBondContact CD2-O 3.29Å; M59-V64 HydrophobicContact CE-CB 3.91Å; M59-V64 HydrophobicContact CE-CG1 3.75Å; M59-V64 HydrophobicContact CE-CG2 3.83Å; M59-V64 PolarHBondContact O-N 2.95Å; M59-V64 HydrophobicContact SD-CG2 4.4Å; M62-V64 VanDerWaalsContact C-N 3.25Å; M62-V64 HydrophobicContact CB-CG2 3.78Å; M62-V64 PolarHBondContact O-N 3.25Å; V64-L69 HydrophobicContact CG1-CB 3.96Å
65	T	91.4	Very high	91	Very high	66 Å²	66	63.9 Å²	63.9	41%	0.405	36%	0.358	S	S	.	.			trans	-96.4	162.8	170.5	64.1	0	0	0	0	110.9	N63 D67 I68 L69	N63-T65 PolarHBondContact O-N 3.22Å; T65-D67 VanDerWaalsContact C-N 3.32Å; T65-D67 PolarHBondContact O-N 3.45Å; T65-I68 HydrophobicContact CG2-CD1 4.48Å; T65-I68 PolarHBondContact O-N 2.83Å; T65-I68 WeakPolarHBondContact OG1-CD1 3.44Å; T65-I68 VanDerWaalsContact OG1-CG1 3.25Å; T65-I68 WeakPolarHBondContact OG1-CG1 3.37Å; T65-I68 PolarHBondContact OG1-N 3.37Å; T65-L69 WeakPolarHBondContact O-CB 3.35Å; T65-L69 PolarHBondContact O-N 3.06Å
66	E	90.6	Very high	90.7	Very high	68 Å²	68	57.5 Å²	57.5	32%	0.318	33%	0.332	S	S	.	.	H	α-helix	trans	-58.2	-42.3	177.9	-179.8	174.6	176.6	0	0	112.4	I50 L54 L69 K70	I50-E66 HydrophobicContact CG2-CB 4.43Å; I50-E66 HydrophobicContact CG2-CG 3.96Å; L54-E66 HydrophobicContact CD1-CB 4.35Å; E66-L69 PolarHBondContact O-N 3Å; E66-K70 HydrophobicContact CG-CD 4.07Å; E66-K70 WeakPolarHBondContact O-CB 3.41Å; E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 2.95Å; E66-K70 WeakPolarHBondContact OE1-CE 3.5Å; E66-K70 IonicContact OE1-NZ 3.5Å; E66-K70 PolarHBondContact OE1-NZ 3.47Å
67	D	90.7	Very high	90.5	Very high	123 Å²	123	65.6 Å²	65.6	66%	0.658	37%	0.365	S	S	*	.	H	α-helix	trans	-65.3	-43.6	-179.5	-60.5	-43.4	0	0	0	112.2	T65 L69 K70 N71	T65-D67 VanDerWaalsContact C-N 3.32Å; T65-D67 PolarHBondContact O-N 3.45Å; D67-L69 VanDerWaalsContact C-N 3.33Å; D67-L69 PolarHBondContact O-N 3.32Å; D67-K70 PolarHBondContact O-N 3.31Å; D67-N71 WeakPolarHBondContact O-CB 3.39Å; D67-N71 PolarHBondContact O-N 2.89Å
68	I	91.3	Very high	90.4	Very high	60 Å²	60	61.3 Å²	61.3	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-46.7	175.6	-65.4	169.6	0	0	0	109	I17 T65 K70 N71 V72	I17-I68 HydrophobicContact CD1-CG2 3.71Å; T65-I68 HydrophobicContact CG2-CD1 4.48Å; T65-I68 PolarHBondContact O-N 2.83Å; T65-I68 WeakPolarHBondContact OG1-CD1 3.44Å; T65-I68 VanDerWaalsContact OG1-CG1 3.25Å; T65-I68 WeakPolarHBondContact OG1-CG1 3.37Å; T65-I68 PolarHBondContact OG1-N 3.37Å; I68-K70 PolarHBondContact O-N 3.11Å; I68-N71 PolarHBondContact O-N 3Å; I68-V72 HydrophobicContact CG2-CG2 4.08Å; I68-V72 VanDerWaalsContact O-CB 3.31Å; I68-V72 WeakPolarHBondContact O-CB 3.41Å; I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 3.2Å
69	L	92.6	Very high	90.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-45	179.8	-176.9	60.7	0	0	0	112	I17 V21 I50 L53 L54 M59 V64 T65 E66 D67 V72 V73 I88	I17-L69 HydrophobicContact CG2-CD1 4.35Å; V21-L69 HydrophobicContact CB-CD1 4.48Å; V21-L69 HydrophobicContact CG1-CD1 4.4Å; V21-L69 HydrophobicContact CG2-CD1 3.38Å; I50-L69 HydrophobicContact CG1-CD2 4.45Å; I50-L69 HydrophobicContact CG2-CD2 3.78Å; L53-L69 HydrophobicContact CB-CD2 4.44Å; L54-L69 HydrophobicContact CD2-CD2 4.31Å; M59-L69 HydrophobicContact CE-CD1 3.93Å; V64-L69 HydrophobicContact CG1-CB 3.96Å; T65-L69 WeakPolarHBondContact O-CB 3.35Å; T65-L69 PolarHBondContact O-N 3.06Å; E66-L69 PolarHBondContact O-N 3Å; D67-L69 VanDerWaalsContact C-N 3.33Å; D67-L69 PolarHBondContact O-N 3.32Å; L69-V72 PolarHBondContact O-N 2.94Å; L69-V73 HydrophobicContact CD1-CG2 4.09Å; L69-V73 HydrophobicContact CG-CG2 4.47Å; L69-V73 WeakPolarHBondContact O-CB 3.09Å; L69-V73 WeakPolarHBondContact O-CG2 3.09Å; L69-V73 PolarHBondContact O-N 3.24Å; L69-I88 HydrophobicContact CD1-CD1 4.17Å; L69-I88 HydrophobicContact CD2-CD1 3.93Å; L69-I88 HydrophobicContact CG-CD1 3.93Å
70	K	92.1	Very high	90.5	Very high	67 Å²	67	66.2 Å²	66.2	29%	0.291	36%	0.364	S	S	.	.	H	α-helix	trans	-61.7	-45.5	177.4	-77	175	172.1	174.1	0	112.1	I50 E66 D67 I68 G74 L81 G85	I50-K70 HydrophobicContact CD1-CD 4.47Å; I50-K70 HydrophobicContact CD1-CG 4.06Å; E66-K70 HydrophobicContact CG-CD 4.07Å; E66-K70 WeakPolarHBondContact O-CB 3.41Å; E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 2.95Å; E66-K70 WeakPolarHBondContact OE1-CE 3.5Å; E66-K70 IonicContact OE1-NZ 3.5Å; E66-K70 PolarHBondContact OE1-NZ 3.47Å; D67-K70 PolarHBondContact O-N 3.31Å; I68-K70 PolarHBondContact O-N 3.11Å; K70-G74 PolarHBondContact O-N 3.17Å; K70-L81 HydrophobicContact CG-CD1 4.25Å; K70-G85 WeakPolarHBondContact CE-O 3.49Å; K70-G85 PolarHBondContact NZ-O 3.47Å
71	N	91.3	Very high	90.6	Very high	116 Å²	116	64.5 Å²	64.5	62%	0.62	36%	0.355	S	S	*	.	H	α-helix	trans	-62.7	-47.7	178.5	-173.6	24.4	0	0	0	111.5	D67 I68 V73 G74	D67-N71 WeakPolarHBondContact O-CB 3.39Å; D67-N71 PolarHBondContact O-N 2.89Å; I68-N71 PolarHBondContact O-N 3Å; N71-V73 PolarHBondContact O-N 3.38Å; N71-G74 PolarHBondContact O-N 3.15Å
72	V	91.4	Very high	90.8	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-41.6	-177.9	171.6	0	0	0	0	111.8	D14 I17 L18 I68 L69 G74 T75	D14-V72 HydrophobicContact CB-CG2 3.79Å; D14-V72 WeakPolarHBondContact O-CG1 3.38Å; I17-V72 HydrophobicContact CB-CG1 4.4Å; I17-V72 HydrophobicContact CG2-CG1 4.26Å; L18-V72 HydrophobicContact CB-CG1 3.48Å; L18-V72 VanDerWaalsContact CB-CG1 3.48Å; L18-V72 HydrophobicContact CD1-CG1 3.95Å; L18-V72 WeakPolarHBondContact CD1-O 3.44Å; L18-V72 HydrophobicContact CG-CG1 4.24Å; I68-V72 HydrophobicContact CG2-CG2 4.08Å; I68-V72 VanDerWaalsContact O-CB 3.31Å; I68-V72 WeakPolarHBondContact O-CB 3.41Å; I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 3.2Å; L69-V72 PolarHBondContact O-N 2.94Å; V72-G74 PolarHBondContact O-N 3.21Å; V72-T75 PolarHBondContact O-N 2.98Å; V72-T75 VanDerWaalsContact O-N 3.09Å; V72-T75 PolarHBondContact O-OG1 2.9Å
73	V	91.8	Very high	90.8	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-30.1	178.2	169.1	0	0	0	0	112.4	V21 L69 N71 T75 S76 L79 I88	V21-V73 HydrophobicContact CG1-CG2 4.35Å; L69-V73 HydrophobicContact CD1-CG2 4.09Å; L69-V73 HydrophobicContact CG-CG2 4.47Å; L69-V73 WeakPolarHBondContact O-CB 3.09Å; L69-V73 WeakPolarHBondContact O-CG2 3.09Å; L69-V73 PolarHBondContact O-N 3.24Å; N71-V73 PolarHBondContact O-N 3.38Å; V73-T75 PolarHBondContact O-N 2.76Å; V73-T75 VanDerWaalsContact O-N 3.14Å; V73-S76 WeakPolarHBondContact O-CB 3.25Å; V73-S76 PolarHBondContact O-N 2.71Å; V73-L79 HydrophobicContact CG1-CB 4Å; V73-I88 HydrophobicContact CG1-CG1 4.36Å; V73-I88 HydrophobicContact CG1-CG2 4.13Å; V73-I88 HydrophobicContact CG2-CD1 3.65Å; V73-I88 HydrophobicContact CG2-CG1 4.23Å
74	G	88.6	Confident	90.7	Very high	70 Å²	70	66.6 Å²	66.6	72%	0.722	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.9	175	0	0	0	0	0	114.1	K70 N71 V72	K70-G74 PolarHBondContact O-N 3.17Å; N71-G74 PolarHBondContact O-N 3.15Å; V72-G74 PolarHBondContact O-N 3.21Å
75	T	89	Confident	90.6	Very high	96 Å²	96	66.5 Å²	66.5	59%	0.589	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.8	176.5	69.8	0	0	0	0	113.7	V72 V73	V72-T75 PolarHBondContact O-N 2.98Å; V72-T75 VanDerWaalsContact O-N 3.09Å; V72-T75 PolarHBondContact O-OG1 2.9Å; V73-T75 PolarHBondContact O-N 2.76Å; V73-T75 VanDerWaalsContact O-N 3.14Å
76	S	88.5	Confident	90.6	Very high	16 Å²	16	68.4 Å²	68.4	11%	0.112	37%	0.369	C	S	.	.			trans	-71.4	146.3	-178.1	-172.5	0	0	0	0	111.8	E22 V73 I78 L79	E22-S76 PolarHBondContact OE1-OG 3.08Å; V73-S76 WeakPolarHBondContact O-CB 3.25Å; V73-S76 PolarHBondContact O-N 2.71Å; S76-I78 PolarHBondContact OG-N 3.27Å; S76-L79 PolarHBondContact OG-N 3.33Å
77	K	87.8	Confident	90.8	Very high	190 Å²	190	65.1 Å²	65.1	83%	0.826	35%	0.354	S	S	*	.	S	Bend	trans	-88.9	-18.1	171.6	-63.4	178.8	-177.5	177.3	0	112.9
78	I	89.7	Confident	90.9	Very high	36 Å²	36	59.4 Å²	59.4	19%	0.185	32%	0.324	C	S	.	.	S	Bend	trans	-109.2	-17.6	-171.6	77	-177.8	0	0	0	112.3	E22 S76 V91 L92	E22-I78 HydrophobicContact CB-CD1 3.75Å; E22-I78 HydrophobicContact CG-CD1 3.66Å; E22-I78 HydrophobicContact CG-CG1 3.95Å; S76-I78 PolarHBondContact OG-N 3.27Å; I78-V91 PolarHBondContact O-N 3.25Å; I78-L92 HydrophobicContact CB-CD1 4.32Å; I78-L92 HydrophobicContact CG2-CD1 3.82Å
79	L	93	Very high	91	Very high	7 Å²	7	58 Å²	58	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.1	-176.4	-54.3	-177.6	0	0	0	111.4	V21 E22 L25 V73 S76 I88 V89 R90	V21-L79 HydrophobicContact CB-CD1 4.33Å; V21-L79 HydrophobicContact CG1-CD1 3.62Å; E22-L79 HydrophobicContact CG-CD1 4Å; E22-L79 HydrophobicContact CG-CG 4.39Å; L25-L79 HydrophobicContact CB-CD2 3.89Å; L25-L79 HydrophobicContact CD1-CD1 4.26Å; L25-L79 HydrophobicContact CD1-CD2 3.42Å; L25-L79 VanDerWaalsContact CD1-CD2 3.42Å; L25-L79 HydrophobicContact CD1-CG 4.47Å; L25-L79 HydrophobicContact CG-CD2 4.28Å; V73-L79 HydrophobicContact CG1-CB 4Å; S76-L79 PolarHBondContact OG-N 3.33Å; L79-I88 HydrophobicContact CB-CG2 4Å; L79-I88 HydrophobicContact CD1-CG2 4.05Å; L79-I88 HydrophobicContact CD2-CG2 4.35Å; L79-I88 HydrophobicContact CG-CG2 4.36Å; L79-V89 CarbonylContact C-O 3.53Å; L79-V89 WeakPolarHBondContact CA-O 3.39Å; L79-R90 HydrophobicContact CD2-CB 4.46Å
80	K	92.7	Very high	90.9	Very high	125 Å²	125	59.5 Å²	59.5	54%	0.543	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151.7	171.4	-171	-167.5	172.2	-172.2	0	109.2	V89 V91	K80-V89 PolarHBondContact N-O 2.98Å; K80-V89 PolarHBondContact O-N 2.93Å; K80-V91 HydrophobicContact CB-CG2 3.45Å; K80-V91 VanDerWaalsContact CB-CG2 3.45Å
81	L	93	Very high	90.8	Very high	60 Å²	60	60.4 Å²	60.4	31%	0.314	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	137.8	167.1	-163.4	67.5	0	0	0	110.5	I50 K70	I50-L81 HydrophobicContact CD1-CD1 4.03Å; K70-L81 HydrophobicContact CG-CD1 4.25Å
82	S	92	Very high	90.5	Very high	12 Å²	12	59 Å²	59	8%	0.084	33%	0.326	C	S	.	.			trans	-60.9	159.3	171	-175.8	0	0	0	0	110.8	D45 D84 G85 A87	D45-S82 WeakPolarHBondContact OD2-CB 3.38Å; D45-S82 PolarHBondContact OD2-OG 2.69Å; S82-D84 PolarHBondContact O-N 3.26Å; S82-G85 PolarHBondContact O-N 3.46Å; S82-A87 VanDerWaalsContact CB-O 3.28Å; S82-A87 WeakPolarHBondContact CB-O 3.39Å; S82-A87 PolarHBondContact N-O 2.78Å
83	N	88.1	Confident	90.2	Very high	152 Å²	152	63.8 Å²	63.8	81%	0.813	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.8	-179.6	-61	-22	0	0	0	112	G85	N83-G85 VanDerWaalsContact C-N 3.26Å; N83-G85 PolarHBondContact O-N 2.98Å
84	D	88.6	Confident	89.8	Confident	111 Å²	111	68 Å²	68	59%	0.594	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-12	178.3	-51	-29.9	0	0	0	112.9	R43 S82 L86	R43-D84 IonicContact NH2-OD2 2.7Å; S82-D84 PolarHBondContact O-N 3.26Å; D84-L86 HydrophobicContact CB-CD1 4.43Å; D84-L86 HydrophobicContact CB-CG 4.33Å; D84-L86 PolarHBondContact O-N 2.84Å
85	G	89	Confident	89.7	Confident	15 Å²	15	67.1 Å²	67.1	16%	0.155	36%	0.362	C	S	.	.	S	Bend	trans	74.8	2.8	-175.5	0	0	0	0	0	115.6	K70 S82 N83	K70-G85 WeakPolarHBondContact CE-O 3.49Å; K70-G85 PolarHBondContact NZ-O 3.47Å; S82-G85 PolarHBondContact O-N 3.46Å; N83-G85 VanDerWaalsContact C-N 3.26Å; N83-G85 PolarHBondContact O-N 2.98Å
86	L	91.5	Very high	89.4	Confident	105 Å²	105	72 Å²	72	55%	0.55	38%	0.379	S	S	.	.	S	Bend	trans	-100.5	-13.6	-172.9	-61.9	177.2	0	0	0	114.7	I50 D84	I50-L86 PolarHBondContact N-O 3.36Å; D84-L86 HydrophobicContact CB-CD1 4.43Å; D84-L86 HydrophobicContact CB-CG 4.33Å; D84-L86 PolarHBondContact O-N 2.84Å
87	A	93.1	Very high	89.4	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.2	-174.6	0	0	0	0	0	111.6	I48 S82	I48-A87 CarbonylContact O-C 3.56Å; I48-A87 VanDerWaalsContact O-CA 3.28Å; I48-A87 WeakPolarHBondContact O-CA 3.49Å; I48-A87 WeakPolarHBondContact O-CB 3.49Å; S82-A87 VanDerWaalsContact CB-O 3.28Å; S82-A87 WeakPolarHBondContact CB-O 3.39Å; S82-A87 PolarHBondContact N-O 2.78Å
88	I	93.6	Very high	89.4	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.1	175.3	-65.5	163.2	0	0	0	108.3	V21 L25 G47 I48 I50 L53 L69 V73 L79	V21-I88 HydrophobicContact CG1-CD1 4.22Å; L25-I88 HydrophobicContact CD1-CG2 3.95Å; G47-I88 WeakPolarHBondContact CA-O 3.38Å; I48-I88 PolarHBondContact N-O 3.06Å; I48-I88 PolarHBondContact O-N 2.93Å; I50-I88 HydrophobicContact CG1-CD1 4.2Å; I50-I88 HydrophobicContact CG1-CG1 4.2Å; L53-I88 HydrophobicContact CD1-CB 4.41Å; L53-I88 HydrophobicContact CD1-CD1 3.59Å; L53-I88 HydrophobicContact CD1-CG1 4.44Å; L69-I88 HydrophobicContact CD1-CD1 4.17Å; L69-I88 HydrophobicContact CD2-CD1 3.93Å; L69-I88 HydrophobicContact CG-CD1 3.93Å; V73-I88 HydrophobicContact CG1-CG1 4.36Å; V73-I88 HydrophobicContact CG1-CG2 4.13Å; V73-I88 HydrophobicContact CG2-CD1 3.65Å; V73-I88 HydrophobicContact CG2-CG1 4.23Å; L79-I88 HydrophobicContact CB-CG2 4Å; L79-I88 HydrophobicContact CD1-CG2 4.05Å; L79-I88 HydrophobicContact CD2-CG2 4.35Å; L79-I88 HydrophobicContact CG-CG2 4.36Å
89	V	92.8	Very high	89.6	Confident	30 Å²	30	68.4 Å²	68.4	18%	0.182	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.7	-175.9	-178.1	0	0	0	0	109.1	D45 L79 K80	D45-V89 HydrophobicContact CB-CG2 4.27Å; D45-V89 WeakPolarHBondContact O-CG1 3.5Å; L79-V89 CarbonylContact C-O 3.53Å; L79-V89 WeakPolarHBondContact CA-O 3.39Å; K80-V89 PolarHBondContact N-O 2.98Å; K80-V89 PolarHBondContact O-N 2.93Å
90	R	91	Very high	89.5	Confident	32 Å²	32	71.9 Å²	71.9	12%	0.121	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.7	174.4	-170	176.8	161.3	118.9	4.9	109.9	L25 E27 L79 L92	L25-R90 PolarHBondContact O-NH1 2.93Å; E27-R90 IonicContact OE1-CZ 3.8Å; E27-R90 IonicContact OE1-NH1 3.48Å; E27-R90 IonicContact OE1-NH2 2.99Å; E27-R90 PolarHBondContact OE1-NH2 3.28Å; E27-R90 IonicContact OE2-CZ 3.16Å; E27-R90 IonicContact OE2-NH1 3.35Å; E27-R90 PolarHBondContact OE2-NH1 3.28Å; E27-R90 IonicContact OE2-NH2 3.68Å; E27-R90 PolarHBondContact OE2-NH2 2.88Å; L79-R90 HydrophobicContact CD2-CB 4.46Å; R90-L92 WeakPolarHBondContact CD-O 3.42Å; R90-L92 WeakPolarHBondContact CG-O 3.36Å; R90-L92 PolarHBondContact NE-O 2.9Å
91	V	89.7	Confident	89.5	Confident	86 Å²	86	70.4 Å²	70.4	52%	0.521	39%	0.39	S	S	.	.			trans	-86.1	-39.9	-180	-176.3	0	0	0	0	111.4	I78 K80	I78-V91 PolarHBondContact O-N 3.25Å; K80-V91 HydrophobicContact CB-CG2 3.45Å; K80-V91 VanDerWaalsContact CB-CG2 3.45Å
92	L	85.3	Confident	89.6	Confident	86 Å²	86	76.3 Å²	76.3	45%	0.45	41%	0.408	S	S	.	.	S	Bend	trans	-86.4	131.7	-177.2	-65.4	179.4	0	0	0	111.1	I78 R90	I78-L92 HydrophobicContact CB-CD1 4.32Å; I78-L92 HydrophobicContact CG2-CD1 3.82Å; R90-L92 WeakPolarHBondContact CD-O 3.42Å; R90-L92 WeakPolarHBondContact CG-O 3.36Å; R90-L92 PolarHBondContact NE-O 2.9Å
93	P	85.2	Confident	89.8	Confident	107 Å²	107	76.3 Å²	76.3	70%	0.695	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-61.8	155.2	175.2	26	-33.5	0	0	0	111.7	S95	P93-S95 PolarHBondContact O-N 3.4Å
94	L	84.7	Confident	90.2	Very high	91 Å²	91	69.2 Å²	69.2	48%	0.476	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-67.9	122.6	177.1	-63.3	174.4	0	0	0	109.5	E27 L30	E27-L94 HydrophobicContact CG-CD2 4.03Å; L30-L94 HydrophobicContact CD1-CD1 4.5Å; L30-L94 HydrophobicContact CD1-CD2 3.7Å
95	S	85	Confident	90.6	Very high	50 Å²	50	64 Å²	64	35%	0.35	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-75.6	143.1	175.6	-59.5	0	0	0	0	111	P93 L97 R186	P93-S95 PolarHBondContact O-N 3.4Å; S95-L97 PolarHBondContact O-N 2.9Å; S95-R186 PolarHBondContact OG-NH2 3.43Å
96	E	84	Confident	91	Very high	200 Å²	200	63.3 Å²	63.3	94%	0.935	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-66.1	125.1	168.4	-67.8	-177.1	-176.3	0	0	110.2
97	L	88.3	Confident	91.2	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.209	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-104	138.2	178.2	-60.2	-177.1	0	0	0	110	E27 S95 L164 R186	E27-L97 HydrophobicContact CB-CD1 3.94Å; S95-L97 PolarHBondContact O-N 2.9Å; L97-L164 HydrophobicContact CD1-CD1 3.51Å; L97-L164 HydrophobicContact CD2-CD1 4.22Å; L97-R186 HydrophobicContact CD2-CG 4.13Å
98	G	88.2	Confident	91.2	Very high	46 Å²	46	58.4 Å²	58.4	47%	0.474	31%	0.308	S	S	.	.			trans	-66.3	178.7	172.7	0	0	0	0	0	113.7	R100 R103	G98-R100 PolarHBondContact O-N 3.47Å; G98-R103 PolarHBondContact O-NE 3.38Å
99	P	91.9	Very high	90.9	Very high	80 Å²	80	59.9 Å²	59.9	52%	0.519	32%	0.323	S	S	.	.			trans	-51.6	127.3	-177	-27	34	0	0	0	112.3	E101 R102	P99-E101 VanDerWaalsContact C-N 3.3Å; P99-E101 PolarHBondContact O-N 3.41Å; P99-R102 HydrophobicContact CB-CG 4.33Å; P99-R102 PolarHBondContact O-N 3.19Å; P99-R102 VanDerWaalsContact O-N 3.16Å
100	R	91.9	Very high	90.8	Very high	79 Å²	79	58.7 Å²	58.7	30%	0.298	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-62.6	-38.3	-171.5	-176.7	171.5	172	-120.2	-26.4	112.4	R32 G98 R102 R103 T104 E184	R32-R100 VanDerWaalsContact CZ-NH2 3.32Å; G98-R100 PolarHBondContact O-N 3.47Å; R100-R102 VanDerWaalsContact C-N 3.26Å; R100-R102 PolarHBondContact O-N 3.37Å; R100-R103 CarbonylContact O-C 3.58Å; R100-R103 WeakPolarHBondContact O-CG 3.42Å; R100-R103 PolarHBondContact O-N 3.47Å; R100-R103 VanDerWaalsContact O-N 3.16Å; R100-T104 WeakPolarHBondContact O-CB 3.36Å; R100-T104 PolarHBondContact O-N 3.39Å; R100-T104 PolarHBondContact O-OG1 2.72Å; R100-E184 IonicContact CZ-OE2 3.36Å; R100-E184 IonicContact NE-OE1 3.56Å; R100-E184 IonicContact NE-OE2 2.62Å; R100-E184 PolarHBondContact NE-OE2 2.84Å; R100-E184 IonicContact NH2-OE2 3.67Å
101	E	93.4	Very high	90.4	Very high	95 Å²	95	57.6 Å²	57.6	44%	0.444	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-59.5	-39.8	179.4	-62.8	67.4	-144.5	0	0	110.5	P99 R103 Y314 I318	P99-E101 VanDerWaalsContact C-N 3.3Å; P99-E101 PolarHBondContact O-N 3.41Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.24Å; E101-Y314 HydrophobicContact CB-CD1 3.82Å; E101-Y314 HydrophobicContact CB-CE1 4.37Å; E101-Y314 HydrophobicContact CG-CD1 3.84Å; E101-Y314 HydrophobicContact CG-CE1 3.88Å; E101-Y314 WeakPolarHBondContact O-CB 3.33Å; E101-I318 HydrophobicContact CG-CD1 4.47Å
102	R	95.4	Very high	90	Very high	184 Å²	184	55.9 Å²	55.9	69%	0.694	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-76.4	-14.3	-178	-65.2	-173.3	176.5	-168.5	-0.7	113.7	P99 R100 S188	P99-R102 HydrophobicContact CB-CG 4.33Å; P99-R102 PolarHBondContact O-N 3.19Å; P99-R102 VanDerWaalsContact O-N 3.16Å; R100-R102 VanDerWaalsContact C-N 3.26Å; R100-R102 PolarHBondContact O-N 3.37Å; R102-S188 WeakPolarHBondContact O-CA 3.37Å; R102-S188 WeakPolarHBondContact O-CB 3.34Å; R102-S188 PolarHBondContact O-OG 2.77Å
103	R	95.3	Very high	89.2	Confident	11 Å²	11	54.3 Å²	54.3	4%	0.042	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-114.7	6.4	179.7	65.3	-169.2	179.4	74.3	9.4	113.4	G98 R100 E101 E184 F185	G98-R103 PolarHBondContact O-NE 3.38Å; R100-R103 CarbonylContact O-C 3.58Å; R100-R103 WeakPolarHBondContact O-CG 3.42Å; R100-R103 PolarHBondContact O-N 3.47Å; R100-R103 VanDerWaalsContact O-N 3.16Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.24Å; R103-E184 IonicContact CZ-OE1 2.73Å; R103-E184 IonicContact NH1-OE1 2.95Å; R103-E184 PolarHBondContact NH1-OE1 3.31Å; R103-E184 IonicContact NH2-OE1 3.84Å; R103-E184 PolarHBondContact NH2-OE1 3.26Å; R103-F185 WeakPolarHBondContact CD-O 3.47Å; R103-F185 WeakPolarHBondContact CG-O 3.42Å; R103-F185 PolarHBondContact NH1-O 2.88Å; R103-F185 VanDerWaalsContact NH1-O 3.14Å; R103-F185 PolarHBondContact O-N 3.34Å
104	T	96.9	Very high	88.1	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.025	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.9	176.3	-57.1	0	0	0	0	110	R100 F182 V183 Y314	R100-T104 WeakPolarHBondContact O-CB 3.36Å; R100-T104 PolarHBondContact O-N 3.39Å; R100-T104 PolarHBondContact O-OG1 2.72Å; T104-F182 HydrophobicContact CG2-CB 4.06Å; T104-F182 HydrophobicContact CG2-CD1 4.48Å; T104-V183 CarbonylContact C-O 3.57Å; T104-V183 WeakPolarHBondContact CA-O 3.11Å; T104-Y314 HydrophobicContact CG2-CD2 3.8Å; T104-Y314 HydrophobicContact CG2-CE2 4.39Å; T104-Y314 HydrophobicContact CG2-CG 4.27Å; T104-Y314 VanDerWaalsContact O-CB 3.31Å; T104-Y314 WeakPolarHBondContact O-CB 3.38Å; T104-Y314 PolarHBondContact O-N 3.48Å
105	I	97.1	Very high	86.5	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.7	171.9	62.1	165.4	0	0	0	110.3	V107 F157 F182 V183 F185 A191 A194 V195 V311 F312	I105-V107 HydrophobicContact CD1-CG2 3.91Å; I105-V107 HydrophobicContact CG1-CG2 4.25Å; I105-F157 HydrophobicContact CD1-CD1 3.7Å; I105-F157 HydrophobicContact CD1-CE1 3.52Å; I105-F157 HydrophobicContact CD1-CG 4.41Å; I105-F157 HydrophobicContact CD1-CZ 4.11Å; I105-F182 VanDerWaalsContact O-CA 3.32Å; I105-F182 WeakPolarHBondContact O-CA 3.49Å; I105-V183 HydrophobicContact CD1-CB 4.04Å; I105-V183 HydrophobicContact CG1-CB 3.71Å; I105-V183 WeakPolarHBondContact CG1-O 3.4Å; I105-V183 PolarHBondContact N-O 2.82Å; I105-V183 PolarHBondContact O-N 3.26Å; I105-F185 HydrophobicContact CD1-CE2 3.64Å; I105-F185 HydrophobicContact CD1-CZ 4.27Å; I105-F185 HydrophobicContact CG1-CE2 3.87Å; I105-F185 HydrophobicContact CG2-CE2 4.32Å; I105-A191 HydrophobicContact CG2-CB 3.78Å; I105-A194 HydrophobicContact CD1-CB 4.12Å; I105-V195 HydrophobicContact CG2-CG2 3.81Å; I105-V311 HydrophobicContact CB-CG1 4.02Å; I105-V311 HydrophobicContact CD1-CG1 3.56Å; I105-V311 HydrophobicContact CG1-CG1 4.29Å; I105-V311 HydrophobicContact CG2-CG1 4.48Å; I105-F312 WeakPolarHBondContact CA-O 3.4Å
106	L	97.2	Very high	84.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.9	167	172.5	71.4	0	0	0	108.7	T108 F180 F182 I246 V311 F312 W317	L106-T108 HydrophobicContact CD1-CG2 4.2Å; L106-T108 HydrophobicContact CD2-CG2 3.71Å; L106-T108 HydrophobicContact CG-CG2 3.7Å; L106-F180 HydrophobicContact CD1-CB 4.27Å; L106-F180 HydrophobicContact CD1-CD2 3.64Å; L106-F180 HydrophobicContact CD1-CE2 4.39Å; L106-F180 HydrophobicContact CD1-CG 4.32Å; L106-F182 HydrophobicContact CB-CD1 4.49Å; L106-F182 HydrophobicContact CB-CE1 4.43Å; L106-F182 HydrophobicContact CD1-CD1 4.12Å; L106-F182 HydrophobicContact CD1-CE1 3.68Å; L106-F182 HydrophobicContact CD1-CZ 4.2Å; L106-I246 HydrophobicContact CD2-CD1 4.45Å; L106-I246 HydrophobicContact CD2-CG1 3.59Å; L106-V311 CarbonylContact O-C 3.55Å; L106-V311 VanDerWaalsContact O-CA 3.3Å; L106-V311 WeakPolarHBondContact O-CA 3.31Å; L106-F312 HydrophobicContact CB-CB 4.39Å; L106-F312 HydrophobicContact CD2-CB 4.47Å; L106-F312 HydrophobicContact CD2-CD2 4.31Å; L106-F312 PolarHBondContact N-O 3.47Å; L106-F312 PolarHBondContact O-N 3.19Å; L106-W317 HydrophobicContact CB-CB 4.41Å; L106-W317 HydrophobicContact CD1-CE3 4.26Å; L106-W317 HydrophobicContact CD2-CB 4.22Å; L106-W317 HydrophobicContact CD2-CD2 4.43Å; L106-W317 HydrophobicContact CD2-CE3 3.79Å
107	V	95.7	Very high	82.5	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.9	173.9	-176.5	0	0	0	0	108.3	I105 F157 F180 A181 V183 L309 V311	I105-V107 HydrophobicContact CD1-CG2 3.91Å; I105-V107 HydrophobicContact CG1-CG2 4.25Å; V107-F157 HydrophobicContact CB-CE2 4.32Å; V107-F157 HydrophobicContact CB-CZ 4.38Å; V107-F157 HydrophobicContact CG1-CE2 3.87Å; V107-F157 HydrophobicContact CG1-CZ 3.98Å; V107-F157 HydrophobicContact CG2-CD2 4.35Å; V107-F157 HydrophobicContact CG2-CE1 4.29Å; V107-F157 HydrophobicContact CG2-CE2 3.5Å; V107-F157 VanDerWaalsContact CG2-CE2 3.5Å; V107-F157 HydrophobicContact CG2-CZ 3.46Å; V107-F157 VanDerWaalsContact CG2-CZ 3.46Å; V107-F180 CarbonylContact O-C 3.52Å; V107-F180 WeakPolarHBondContact O-CA 3.24Å; V107-F180 VanDerWaalsContact O-CB 3.28Å; V107-F180 WeakPolarHBondContact O-CB 3.28Å; V107-A181 HydrophobicContact CB-CB 4.44Å; V107-A181 PolarHBondContact N-O 2.97Å; V107-A181 PolarHBondContact O-N 3.29Å; V107-V183 HydrophobicContact CG2-CB 4.44Å; V107-V183 HydrophobicContact CG2-CG2 3.71Å; V107-L309 HydrophobicContact CG1-CD1 4.34Å; V107-L309 HydrophobicContact CG1-CD2 4Å; V107-V311 HydrophobicContact CG2-CG2 4.47Å
108	T	92.4	Very high	79.6	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	166.6	179.4	77.9	0	0	0	0	110.6	L106 F180 H245 C249 L309 R310 F312	L106-T108 HydrophobicContact CD1-CG2 4.2Å; L106-T108 HydrophobicContact CD2-CG2 3.71Å; L106-T108 HydrophobicContact CG-CG2 3.7Å; T108-F180 HydrophobicContact CG2-CB 4.44Å; T108-H245 HydrophobicContact CG2-CB 4.28Å; T108-H245 PolarHBondContact OG1-ND1 3.41Å; T108-H245 VanDerWaalsContact OG1-ND1 3.11Å; T108-C249 WeakPolarHBondContact CG2-SG 3.42Å; T108-L309 WeakPolarHBondContact O-CA 3.49Å; T108-R310 PolarHBondContact N-O 3.1Å; T108-R310 PolarHBondContact O-N 3.48Å; T108-R310 WeakPolarHBondContact OG1-CB 2.97Å; T108-R310 PolarHBondContact OG1-O 3.13Å; T108-F312 HydrophobicContact CG2-CD2 4.26Å; T108-F312 HydrophobicContact CG2-CE2 4.35Å
109	G	87.9	Confident	76.9	Confident	32 Å²	32	56.9 Å²	56.9	33%	0.33	31%	0.309	S	S	.	.			trans	87.7	19.5	-176.8	0	0	0	0	0	113.4
110	L	89.7	Confident	73.7	Confident	5 Å²	5	59 Å²	59	3%	0.026	32%	0.315	C	S	.	.			trans	-83	149.9	173.6	-59.4	172.3	0	0	0	110.2	L149 W152 I153 L168 G179 A181 L309	L110-L149 HydrophobicContact CD2-CD1 4.48Å; L110-W152 HydrophobicContact CD2-CZ3 4Å; L110-I153 HydrophobicContact CD1-CD1 3.55Å; L110-I153 HydrophobicContact CD2-CD1 3.86Å; L110-I153 HydrophobicContact CD2-CG1 4.08Å; L110-I153 HydrophobicContact CG-CD1 4.39Å; L110-L168 HydrophobicContact CD1-CD2 3.99Å; L110-G179 PolarHBondContact N-O 2.91Å; L110-G179 WeakPolarHBondContact O-CA 3.39Å; L110-A181 HydrophobicContact CD1-CB 3.53Å; L110-L309 HydrophobicContact CD2-CD2 3.58Å; L110-L309 HydrophobicContact CG-CD2 4.35Å
111	P	83.6	Confident	70.7	Confident	10 Å²	10	59.3 Å²	59.3	7%	0.065	34%	0.335	C	S	.	.			trans	-63	143.9	178.3	25.3	-33.5	0	0	0	112.5	L113 S302	P111-L113 PolarHBondContact O-N 3.06Å; P111-S302 WeakPolarHBondContact CB-O 3.39Å
112	R	80.2	Confident	67.6	Low	49 Å²	49	61.2 Å²	61.2	19%	0.185	35%	0.348	C	S	.	.			trans	-90.6	93.8	171	-63	-178.9	178.1	164.6	4.9	108.3	S114 Y295 N299	R112-S114 VanDerWaalsContact C-N 3.31Å; R112-S114 PolarHBondContact O-N 3.11Å; R112-S114 PolarHBondContact O-OG 2.77Å; R112-S114 VanDerWaalsContact O-OG 3.14Å; R112-Y295 PolarHBondContact NH2-OH 2.97Å; R112-N299 WeakPolarHBondContact CB-O 3.47Å; R112-N299 HydrophobicContact CG-CB 4.42Å; R112-N299 PolarHBondContact N-O 3.03Å
113	L	70.4	Confident	64.8	Low	54 Å²	54	58.5 Å²	58.5	28%	0.283	35%	0.352	S	S	.	.			trans	-63.3	94.6	172.2	-62.1	178.3	0	0	0	108.9	P111 A145 S176 L177	P111-L113 PolarHBondContact O-N 3.06Å; L113-A145 HydrophobicContact CD1-CB 3.59Å; L113-S176 VanDerWaalsContact O-CB 3.24Å; L113-S176 WeakPolarHBondContact O-CB 3.39Å; L113-S176 PolarHBondContact O-OG 2.99Å; L113-L177 HydrophobicContact CB-CD1 4.47Å; L113-L177 HydrophobicContact CB-CG 4.34Å; L113-L177 HydrophobicContact CD1-CD1 3.57Å; L113-L177 HydrophobicContact CD1-CG 4.15Å; L113-L177 HydrophobicContact CG-CD1 4.04Å; L113-L177 HydrophobicContact CG-CG 4.44Å
114	S	60.3	Low	61.7	Low	60 Å²	60	64.6 Å²	64.6	42%	0.42	39%	0.385	S	S	.	.			trans	-99.5	137.1	-178	-57.5	0	0	0	0	108.8	R112 G116	R112-S114 VanDerWaalsContact C-N 3.31Å; R112-S114 PolarHBondContact O-N 3.11Å; R112-S114 PolarHBondContact O-OG 2.77Å; R112-S114 VanDerWaalsContact O-OG 3.14Å; S114-G116 PolarHBondContact O-N 2.77Å
115	I	52.8	Low	58.6	Low	40 Å²	40	70.9 Å²	70.9	21%	0.205	42%	0.419	C	S	.	.			trans	-63	133	168.6	-63.2	150.6	0	0	0	107	I117 P134 I142 S174	I115-I117 PolarHBondContact O-N 3.45Å; I115-P134 HydrophobicContact CD1-CB 3.77Å; I115-P134 HydrophobicContact CD1-CG 4.2Å; I115-I142 HydrophobicContact CD1-CD1 3.94Å; I115-I142 HydrophobicContact CG1-CD1 3.55Å; I115-S174 WeakPolarHBondContact CD1-O 3.47Å
116	G	41.2	Very low	55.7	Low	73 Å²	73	78.3 Å²	78.3	75%	0.753	46%	0.464	S	S	*	.			trans	-50.3	104.9	-179	0	0	0	0	0	111.2	S114	S114-G116 PolarHBondContact O-N 2.77Å
117	I	42	Very low	52.6	Low	122 Å²	122	82.4 Å²	82.4	63%	0.626	49%	0.493	S	S	*	.			trans	-85.5	109.2	161	-60.6	171.4	0	0	0	103.3	I115 E119	I115-I117 PolarHBondContact O-N 3.45Å; I117-E119 PolarHBondContact O-N 3.13Å; I117-E119 VanDerWaalsContact O-N 3.08Å
118	T	28.1	Very low	49.8	Very low	120 Å²	120	91 Å²	91	74%	0.736	53%	0.526	S	S	*	.			trans	-51.3	117.4	166.7	31.5	0	0	0	0	108.4	N120	T118-N120 PolarHBondContact O-N 2.83Å
119	E	31.5	Very low	47.2	Very low	173 Å²	173	98.9 Å²	98.9	81%	0.808	56%	0.556	S	S	*	*			trans	-71.2	73.2	175.7	-69.1	-177.5	162.6	0	0	109.5	I117	I117-E119 PolarHBondContact O-N 3.13Å; I117-E119 VanDerWaalsContact O-N 3.08Å
120	N	25.6	Very low	44.7	Very low	124 Å²	124	106 Å²	106	66%	0.663	58%	0.58	S	S	*	*			trans	-90.4	102.4	155.2	-71.6	-10.4	0	0	0	106.8	T118 D122	T118-N120 PolarHBondContact O-N 2.83Å; N120-D122 VanDerWaalsContact C-N 3.26Å; N120-D122 PolarHBondContact O-N 2.8Å
121	A	28.4	Very low	42.7	Very low	85 Å²	85	109.1 Å²	109.1	70%	0.702	60%	0.603	S	S	*	*			trans	-72.9	74.2	-179.4	0	0	0	0	0	110.7	V123	A121-V123 PolarHBondContact O-N 2.92Å
122	D	27.8	Very low	41.5	Very low	135 Å²	135	113.3 Å²	113.3	72%	0.722	63%	0.632	S	S	*	*			trans	-89.5	98.2	159.6	-69.6	-33.2	0	0	0	108.1	N120 D124	N120-D122 VanDerWaalsContact C-N 3.26Å; N120-D122 PolarHBondContact O-N 2.8Å; D122-D124 PolarHBondContact O-N 3.31Å
123	V	37.5	Very low	40.5	Very low	127 Å²	127	120 Å²	120	77%	0.77	66%	0.663	S	S	*	*			trans	-68.6	84.4	168.7	-178.4	0	0	0	0	106.7	A121	A121-V123 PolarHBondContact O-N 2.92Å
124	D	29.9	Very low	40.3	Very low	139 Å²	139	118.9 Å²	118.9	74%	0.743	66%	0.658	S	S	*	*	S	Bend	trans	176.8	140.3	141.7	-88.8	-27.1	0	0	0	110.7	D122	D122-D124 PolarHBondContact O-N 3.31Å
125	N	31.3	Very low	41.1	Very low	137 Å²	137	120.6 Å²	120.6	73%	0.733	66%	0.663	S	S	*	*			trans	79.2	106.1	179.5	-58.1	-48.6	0	0	0	117.1	S127	N125-S127 PolarHBondContact O-N 3.44Å
126	T	36.6	Very low	42.5	Very low	156 Å²	156	125 Å²	125	96%	0.957	68%	0.682	S	S	*	*			trans	-58	40.4	151	23.4	0	0	0	0	113.6
127	S	31.7	Very low	44.4	Very low	86 Å²	86	126.1 Å²	126.1	60%	0.601	67%	0.671	S	S	*	*			trans	-76.2	133.6	166.7	-79.7	0	0	0	0	108.6	N125 R129	N125-S127 PolarHBondContact O-N 3.44Å; S127-R129 PolarHBondContact O-N 3.02Å
128	Y	36.4	Very low	46.1	Very low	180 Å²	180	124.3 Å²	124.3	71%	0.706	66%	0.66	S	S	*	*			trans	-29.8	91.6	171.3	-76	-99.4	0	0	0	112.7	H130	Y128-H130 PolarHBondContact O-N 3.31Å
129	R	37.9	Very low	48.7	Very low	169 Å²	169	121.6 Å²	121.6	64%	0.638	64%	0.641	S	S	*	*			trans	-64.1	106.9	162.8	-74.8	-172.4	-177.1	-169.7	-1.2	105.1	S127 S131	S127-R129 PolarHBondContact O-N 3.02Å; R129-S131 VanDerWaalsContact C-N 3.32Å; R129-S131 PolarHBondContact O-N 3.24Å
130	H	34.9	Very low	51.1	Low	182 Å²	182	121.3 Å²	121.3	84%	0.843	63%	0.632	S	S	*	*			trans	-54.1	101.4	172.7	-81.4	-78	0	0	0	107	Y128 S132	Y128-H130 PolarHBondContact O-N 3.31Å; H130-S132 PolarHBondContact O-N 2.98Å
131	S	49.1	Very low	53.8	Low	71 Å²	71	120.9 Å²	120.9	50%	0.497	63%	0.63	S	S	.	*			trans	-60.9	98.4	161.4	-177.2	0	0	0	0	104.6	R129 K133	R129-S131 VanDerWaalsContact C-N 3.32Å; R129-S131 PolarHBondContact O-N 3.24Å; S131-K133 PolarHBondContact O-N 3.41Å
132	S	57.3	Low	56.5	Low	98 Å²	98	117.6 Å²	117.6	69%	0.685	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-49.2	139.1	160.7	35.9	0	0	0	0	107	H130	H130-S132 PolarHBondContact O-N 2.98Å
133	K	60.4	Low	59.2	Low	190 Å²	190	112.4 Å²	112.4	83%	0.826	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-57.8	137.3	169.3	-76.5	-178.6	177.4	178.7	0	107	S131	S131-K133 PolarHBondContact O-N 3.41Å
134	P	64.6	Low	61.6	Low	29 Å²	29	109 Å²	109	19%	0.188	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-56.6	143.7	175.5	20.4	-29.1	0	0	0	110.1	I115 E138	I115-P134 HydrophobicContact CD1-CB 3.77Å; I115-P134 HydrophobicContact CD1-CG 4.2Å; P134-E138 WeakPolarHBondContact CA-OE2 3.42Å; P134-E138 HydrophobicContact CB-CB 4.22Å
135	N	79.1	Confident	64.3	Low	96 Å²	96	104.2 Å²	104.2	51%	0.513	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-63.3	160.2	170.3	-168.9	12	0	0	0	110.2	D137 E138 L139	N135-D137 VanDerWaalsContact C-N 3.31Å; N135-D137 PolarHBondContact O-N 3.39Å; N135-E138 HydrophobicContact CB-CG 4.14Å; N135-E138 PolarHBondContact N-OE2 3Å; N135-E138 PolarHBondContact O-N 3.08Å; N135-L139 WeakPolarHBondContact O-CB 3.38Å; N135-L139 PolarHBondContact O-N 3.29Å
136	E	80.9	Confident	67.1	Low	133 Å²	133	98 Å²	98	62%	0.621	50%	0.503	S	S	*	.	H	α-helix	trans	-58.8	-40.3	-179.5	-69.2	-165.4	171.2	0	0	112.5	L139 R140	E136-L139 WeakPolarHBondContact O-CB 3.3Å; E136-L139 PolarHBondContact O-N 2.91Å; E136-R140 WeakPolarHBondContact O-CG 3.12Å; E136-R140 PolarHBondContact O-N 3.38Å
137	D	80.9	Confident	69.6	Low	97 Å²	97	93.1 Å²	93.1	52%	0.519	47%	0.467	S	S	.	.	H	α-helix	trans	-68	-40.7	178.3	-65.9	-34.7	0	0	0	112.3	N135 L139 R140 N141	N135-D137 VanDerWaalsContact C-N 3.31Å; N135-D137 PolarHBondContact O-N 3.39Å; D137-L139 VanDerWaalsContact C-N 3.29Å; D137-L139 PolarHBondContact O-N 2.78Å; D137-R140 PolarHBondContact O-N 3.33Å; D137-N141 VanDerWaalsContact O-CG 3.31Å; D137-N141 PolarHBondContact O-N 2.84Å; D137-N141 PolarHBondContact O-ND2 2.82Å
138	E	78.7	Confident	72.4	Confident	83 Å²	83	93.4 Å²	93.4	39%	0.388	46%	0.459	S	S	.	.	H	α-helix	trans	-62	-41.8	174.3	-63.7	178.3	151	0	0	110.8	P134 N135 R140 N141 I142	P134-E138 WeakPolarHBondContact CA-OE2 3.42Å; P134-E138 HydrophobicContact CB-CB 4.22Å; N135-E138 HydrophobicContact CB-CG 4.14Å; N135-E138 PolarHBondContact N-OE2 3Å; N135-E138 PolarHBondContact O-N 3.08Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.34Å; E138-N141 PolarHBondContact O-N 3.01Å; E138-I142 WeakPolarHBondContact O-CB 3.48Å; E138-I142 WeakPolarHBondContact O-CD1 3.5Å; E138-I142 WeakPolarHBondContact O-CG1 3.42Å; E138-I142 PolarHBondContact O-N 2.8Å
139	L	81.7	Confident	75	Confident	64 Å²	64	85.4 Å²	85.4	34%	0.335	43%	0.428	S	S	.	.	H	α-helix	trans	-62.6	-41	177.3	179.5	62.5	0	0	0	111.8	N135 E136 D137 T143 N175	N135-L139 WeakPolarHBondContact O-CB 3.38Å; N135-L139 PolarHBondContact O-N 3.29Å; E136-L139 WeakPolarHBondContact O-CB 3.3Å; E136-L139 PolarHBondContact O-N 2.91Å; D137-L139 VanDerWaalsContact C-N 3.29Å; D137-L139 PolarHBondContact O-N 2.78Å; L139-T143 VanDerWaalsContact O-CB 3.3Å; L139-T143 WeakPolarHBondContact O-CB 3.44Å; L139-T143 PolarHBondContact O-N 3.43Å; L139-T143 PolarHBondContact O-OG1 3Å; L139-N175 HydrophobicContact CD1-CB 4.22Å; L139-N175 WeakPolarHBondContact CD1-ND2 3.41Å
140	R	82.3	Confident	77.7	Confident	166 Å²	166	77.8 Å²	77.8	63%	0.626	40%	0.402	S	S	*	.	H	α-helix	trans	-63.9	-46.9	174.3	-72.7	175.2	-173.8	-164.6	5	111.1	E136 D137 E138 I142 T143 S144	E136-R140 WeakPolarHBondContact O-CG 3.12Å; E136-R140 PolarHBondContact O-N 3.38Å; D137-R140 PolarHBondContact O-N 3.33Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.34Å; R140-I142 PolarHBondContact O-N 2.61Å; R140-T143 PolarHBondContact O-N 3.16Å; R140-S144 WeakPolarHBondContact O-CB 3.46Å; R140-S144 PolarHBondContact O-N 2.87Å
141	N	82.9	Confident	80.4	Confident	115 Å²	115	70.5 Å²	70.5	62%	0.615	37%	0.369	S	S	*	.	H	α-helix	trans	-61	-45.4	178.3	-71.3	-17.8	0	0	0	112.2	D137 E138 T143 S144 A145	D137-N141 VanDerWaalsContact O-CG 3.31Å; D137-N141 PolarHBondContact O-N 2.84Å; D137-N141 PolarHBondContact O-ND2 2.82Å; E138-N141 PolarHBondContact O-N 3.01Å; N141-T143 VanDerWaalsContact C-N 3.3Å; N141-T143 PolarHBondContact O-N 3.35Å; N141-S144 PolarHBondContact O-N 3.18Å; N141-A145 WeakPolarHBondContact O-CB 3.49Å; N141-A145 PolarHBondContact O-N 3.16Å
142	I	83.6	Confident	82.5	Confident	17 Å²	17	70.1 Å²	70.1	9%	0.087	36%	0.357	C	S	.	.	H	α-helix	trans	-62.6	-40	175.8	-67.1	162.3	0	0	0	111	I115 E138 R140 S146	I115-I142 HydrophobicContact CD1-CD1 3.94Å; I115-I142 HydrophobicContact CG1-CD1 3.55Å; E138-I142 WeakPolarHBondContact O-CB 3.48Å; E138-I142 WeakPolarHBondContact O-CD1 3.5Å; E138-I142 WeakPolarHBondContact O-CG1 3.42Å; E138-I142 PolarHBondContact O-N 2.8Å; R140-I142 PolarHBondContact O-N 2.61Å; I142-S146 VanDerWaalsContact O-CB 3.26Å; I142-S146 WeakPolarHBondContact O-CB 3.15Å; I142-S146 PolarHBondContact O-N 2.87Å
143	T	86.3	Confident	84.3	Confident	25 Å²	25	65.5 Å²	65.5	15%	0.153	33%	0.325	C	S	.	.	H	α-helix	trans	-68.4	-41.9	-179.8	-60	0	0	0	0	111.2	L139 R140 N141 S146 W147	L139-T143 VanDerWaalsContact O-CB 3.3Å; L139-T143 WeakPolarHBondContact O-CB 3.44Å; L139-T143 PolarHBondContact O-N 3.43Å; L139-T143 PolarHBondContact O-OG1 3Å; R140-T143 PolarHBondContact O-N 3.16Å; N141-T143 VanDerWaalsContact C-N 3.3Å; N141-T143 PolarHBondContact O-N 3.35Å; T143-S146 WeakPolarHBondContact O-CB 3.38Å; T143-S146 PolarHBondContact O-N 2.88Å; T143-W147 HydrophobicContact CG2-CD2 4.28Å; T143-W147 HydrophobicContact CG2-CH2 3.74Å; T143-W147 HydrophobicContact CG2-CZ2 3.45Å; T143-W147 VanDerWaalsContact CG2-CZ2 3.45Å; T143-W147 HydrophobicContact CG2-CZ3 4.25Å; T143-W147 PolarHBondContact O-N 3.45Å; T143-W147 VanDerWaalsContact O-N 3.09Å
144	S	86.4	Confident	85.9	Confident	56 Å²	56	58.5 Å²	58.5	39%	0.392	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-50.5	174.3	-174.1	0	0	0	0	111.8	R140 N141 S146 W147 E148	R140-S144 WeakPolarHBondContact O-CB 3.46Å; R140-S144 PolarHBondContact O-N 2.87Å; N141-S144 PolarHBondContact O-N 3.18Å; S144-S146 PolarHBondContact O-N 2.98Å; S144-W147 WeakPolarHBondContact O-CB 3.39Å; S144-W147 PolarHBondContact O-N 3.25Å; S144-E148 PolarHBondContact O-N 3.34Å
145	A	86.9	Confident	87.4	Confident	38 Å²	38	60.9 Å²	60.9	31%	0.314	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-32.4	175.7	0	0	0	0	0	112.4	L113 N141 L149	L113-A145 HydrophobicContact CD1-CB 3.59Å; N141-A145 WeakPolarHBondContact O-CB 3.49Å; N141-A145 PolarHBondContact O-N 3.16Å; A145-L149 VanDerWaalsContact O-CB 3.26Å; A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 PolarHBondContact O-N 3.11Å
146	S	89.8	Confident	88.1	Confident	7 Å²	7	57 Å²	57	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-68.9	-32.4	173.6	178.6	0	0	0	0	113.4	I142 T143 S144 G150 L168 R170	I142-S146 VanDerWaalsContact O-CB 3.26Å; I142-S146 WeakPolarHBondContact O-CB 3.15Å; I142-S146 PolarHBondContact O-N 2.87Å; T143-S146 WeakPolarHBondContact O-CB 3.38Å; T143-S146 PolarHBondContact O-N 2.88Å; S144-S146 PolarHBondContact O-N 2.98Å; S146-G150 PolarHBondContact O-N 2.91Å; S146-L168 WeakPolarHBondContact O-CD1 3.14Å; S146-R170 PolarHBondContact OG-NH2 3.34Å
147	W	90.3	Very high	88.8	Confident	53 Å²	53	50.7 Å²	50.7	20%	0.201	25%	0.254	C	S	.	.	H	α-helix	trans	-72.5	-46.4	175.1	-67.4	-36.1	0	0	0	111.1	N57 R58 A61 T143 S144 L149 G150 D151	N57-W147 HydrophobicContact CB-CH2 4.24Å; N57-W147 HydrophobicContact CB-CZ2 4.14Å; N57-W147 WeakPolarHBondContact O-CH2 3.46Å; R58-W147 HydrophobicContact CB-CD2 4.27Å; R58-W147 HydrophobicContact CB-CH2 4.04Å; R58-W147 HydrophobicContact CB-CZ2 3.66Å; R58-W147 HydrophobicContact CB-CZ3 4.48Å; R58-W147 HydrophobicContact CG-CD2 3.84Å; R58-W147 HydrophobicContact CG-CE3 4.07Å; R58-W147 HydrophobicContact CG-CG 4.29Å; R58-W147 HydrophobicContact CG-CH2 4.42Å; R58-W147 HydrophobicContact CG-CZ2 4.17Å; R58-W147 HydrophobicContact CG-CZ3 4.38Å; A61-W147 HydrophobicContact CB-CE3 4.34Å; A61-W147 HydrophobicContact CB-CH2 3.83Å; A61-W147 HydrophobicContact CB-CZ3 3.33Å; T143-W147 HydrophobicContact CG2-CD2 4.28Å; T143-W147 HydrophobicContact CG2-CH2 3.74Å; T143-W147 HydrophobicContact CG2-CZ2 3.45Å; T143-W147 VanDerWaalsContact CG2-CZ2 3.45Å; T143-W147 HydrophobicContact CG2-CZ3 4.25Å; T143-W147 PolarHBondContact O-N 3.45Å; T143-W147 VanDerWaalsContact O-N 3.09Å; S144-W147 WeakPolarHBondContact O-CB 3.39Å; S144-W147 PolarHBondContact O-N 3.25Å; W147-L149 VanDerWaalsContact C-N 3.31Å; W147-L149 PolarHBondContact O-N 3.27Å; W147-G150 WeakPolarHBondContact O-CA 3.46Å; W147-G150 PolarHBondContact O-N 3.28Å; W147-D151 PolarHBondContact O-N 3.37Å
148	E	90	Very high	89.4	Confident	93 Å²	93	50.5 Å²	50.5	44%	0.435	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-40.4	176.4	-67.4	-60.4	135.1	0	0	111.4	K16 S144 G150 D151 W152	K16-E148 VanDerWaalsContact NZ-CD 3.34Å; K16-E148 IonicContact NZ-OE1 3.72Å; K16-E148 PolarHBondContact NZ-OE1 2.8Å; K16-E148 IonicContact NZ-OE2 3.58Å; K16-E148 PolarHBondContact NZ-OE2 2.94Å; S144-E148 PolarHBondContact O-N 3.34Å; E148-G150 VanDerWaalsContact C-N 3.34Å; E148-G150 PolarHBondContact O-N 3.21Å; E148-D151 PolarHBondContact O-N 3.04Å; E148-W152 WeakPolarHBondContact O-CB 3.42Å; E148-W152 PolarHBondContact O-N 2.87Å
149	L	91.9	Very high	90.1	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-39.5	172.8	-175.1	64.5	0	0	0	112	L110 A145 W147 W152 I153 L168 L177 P304	L110-L149 HydrophobicContact CD2-CD1 4.48Å; A145-L149 VanDerWaalsContact O-CB 3.26Å; A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 PolarHBondContact O-N 3.11Å; W147-L149 VanDerWaalsContact C-N 3.31Å; W147-L149 PolarHBondContact O-N 3.27Å; L149-W152 HydrophobicContact CD1-CE3 3.97Å; L149-W152 HydrophobicContact CD1-CZ3 4.49Å; L149-W152 PolarHBondContact O-N 3.49Å; L149-I153 HydrophobicContact CG-CD1 4.11Å; L149-I153 VanDerWaalsContact O-CG1 3.23Å; L149-I153 WeakPolarHBondContact O-CG1 3.25Å; L149-I153 PolarHBondContact O-N 3.38Å; L149-L168 HydrophobicContact CB-CD1 4.44Å; L149-L168 HydrophobicContact CD2-CD1 4.47Å; L149-L168 HydrophobicContact CD2-CD2 4.07Å; L149-L168 HydrophobicContact CG-CD1 4.47Å; L149-L177 HydrophobicContact CD2-CD1 3.49Å; L149-L177 VanDerWaalsContact CD2-CD1 3.49Å; L149-P304 HydrophobicContact CD1-CB 3.79Å; L149-P304 HydrophobicContact CD1-CG 4.25Å
150	G	92.8	Very high	90.8	Very high	10 Å²	10	49.9 Å²	49.9	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-42.3	176.7	0	0	0	0	0	112.6	S146 W147 E148 R154	S146-G150 PolarHBondContact O-N 2.91Å; W147-G150 WeakPolarHBondContact O-CA 3.46Å; W147-G150 PolarHBondContact O-N 3.28Å; E148-G150 VanDerWaalsContact C-N 3.34Å; E148-G150 PolarHBondContact O-N 3.21Å; G150-R154 WeakPolarHBondContact O-CB 3.41Å; G150-R154 PolarHBondContact O-N 3.37Å
151	D	92.6	Very high	91.4	Very high	28 Å²	28	42.8 Å²	42.8	15%	0.15	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-41.8	176.5	-71.9	-0.1	0	0	0	111.8	R58 W147 E148 R154 N155	R58-D151 IonicContact CZ-OD1 3.64Å; R58-D151 IonicContact CZ-OD2 3.35Å; R58-D151 IonicContact NH1-OD1 2.95Å; R58-D151 PolarHBondContact NH1-OD1 3.48Å; R58-D151 IonicContact NH2-OD1 2.95Å; R58-D151 PolarHBondContact NH2-OD1 2.94Å; R58-D151 IonicContact NH2-OD2 3.72Å; R58-D151 PolarHBondContact NH2-OD2 3.4Å; W147-D151 PolarHBondContact O-N 3.37Å; E148-D151 PolarHBondContact O-N 3.04Å; D151-R154 WeakPolarHBondContact O-CB 3.48Å; D151-R154 PolarHBondContact O-N 3.46Å; D151-N155 PolarHBondContact O-N 2.67Å; D151-N155 PolarHBondContact O-ND2 2.92Å
152	W	94	Very high	91.9	Very high	64 Å²	64	41.7 Å²	41.7	24%	0.242	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-48.7	174.4	177.4	84.4	0	0	0	111.5	L110 E148 L149 R154 N155 V156 P304 Q306 L309	L110-W152 HydrophobicContact CD2-CZ3 4Å; E148-W152 WeakPolarHBondContact O-CB 3.42Å; E148-W152 PolarHBondContact O-N 2.87Å; L149-W152 HydrophobicContact CD1-CE3 3.97Å; L149-W152 HydrophobicContact CD1-CZ3 4.49Å; L149-W152 PolarHBondContact O-N 3.49Å; W152-R154 VanDerWaalsContact C-N 3.31Å; W152-R154 PolarHBondContact O-N 3.16Å; W152-N155 PolarHBondContact O-N 3Å; W152-V156 HydrophobicContact CD2-CG2 4.14Å; W152-V156 HydrophobicContact CH2-CG2 4.37Å; W152-V156 HydrophobicContact CZ2-CG2 3.92Å; W152-V156 WeakPolarHBondContact O-CG2 3.38Å; W152-V156 PolarHBondContact O-N 3.43Å; W152-P304 HydrophobicContact CD2-CB 3.86Å; W152-P304 HydrophobicContact CD2-CG 4.22Å; W152-P304 HydrophobicContact CE3-CB 3.72Å; W152-P304 HydrophobicContact CE3-CG 4.49Å; W152-P304 HydrophobicContact CH2-CB 3.81Å; W152-P304 HydrophobicContact CZ2-CB 3.92Å; W152-P304 WeakPolarHBondContact CZ2-O 3.35Å; W152-P304 HydrophobicContact CZ3-CB 3.72Å; W152-Q306 HydrophobicContact CZ2-CB 4.43Å; W152-L309 HydrophobicContact CH2-CD1 3.79Å; W152-L309 HydrophobicContact CH2-CD2 4.24Å; W152-L309 HydrophobicContact CH2-CG 4.23Å; W152-L309 HydrophobicContact CZ3-CD1 4.12Å; W152-L309 HydrophobicContact CZ3-CD2 4.32Å
153	I	94.9	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-45.6	176.2	-67.7	168.2	0	0	0	110.2	L110 L149 N155 V156 F157 V166 L168 A181 V183	L110-I153 HydrophobicContact CD1-CD1 3.55Å; L110-I153 HydrophobicContact CD2-CD1 3.86Å; L110-I153 HydrophobicContact CD2-CG1 4.08Å; L110-I153 HydrophobicContact CG-CD1 4.39Å; L149-I153 HydrophobicContact CG-CD1 4.11Å; L149-I153 VanDerWaalsContact O-CG1 3.23Å; L149-I153 WeakPolarHBondContact O-CG1 3.25Å; L149-I153 PolarHBondContact O-N 3.38Å; I153-N155 PolarHBondContact O-N 2.9Å; I153-V156 PolarHBondContact O-N 3.25Å; I153-F157 HydrophobicContact CG2-CD2 3.75Å; I153-F157 HydrophobicContact CG2-CE2 4.07Å; I153-F157 VanDerWaalsContact O-CD2 3.29Å; I153-F157 WeakPolarHBondContact O-CD2 3.21Å; I153-F157 PolarHBondContact O-N 3.17Å; I153-V166 HydrophobicContact CB-CG1 4.19Å; I153-V166 HydrophobicContact CD1-CG1 4.3Å; I153-V166 HydrophobicContact CG2-CG1 3.89Å; I153-V166 HydrophobicContact CG2-CG2 4.32Å; I153-L168 HydrophobicContact CD1-CD2 3.81Å; I153-A181 HydrophobicContact CD1-CB 3.79Å; I153-V183 HydrophobicContact CG2-CG2 3.49Å; I153-V183 VanDerWaalsContact CG2-CG2 3.49Å
154	R	94.3	Very high	92.8	Very high	43 Å²	43	40.6 Å²	40.6	16%	0.162	21%	0.209	C	C	.	.	H	α-helix	trans	-56.6	-50.8	178.3	-174	-175.9	-58.9	-89	4.1	110.9	G150 D151 W152 V156 F157 E158 V163 L164 V166	G150-R154 WeakPolarHBondContact O-CB 3.41Å; G150-R154 PolarHBondContact O-N 3.37Å; D151-R154 WeakPolarHBondContact O-CB 3.48Å; D151-R154 PolarHBondContact O-N 3.46Å; W152-R154 VanDerWaalsContact C-N 3.31Å; W152-R154 PolarHBondContact O-N 3.16Å; R154-V156 VanDerWaalsContact C-N 3.32Å; R154-V156 PolarHBondContact O-N 3.32Å; R154-F157 PolarHBondContact O-N 3.25Å; R154-F157 VanDerWaalsContact O-N 3.16Å; R154-E158 WeakPolarHBondContact O-CB 3.43Å; R154-E158 PolarHBondContact O-N 3.47Å; R154-V163 HydrophobicContact CG-CB 4.03Å; R154-V163 HydrophobicContact CG-CG1 4.04Å; R154-V163 PolarHBondContact NH1-O 3.27Å; R154-L164 PolarHBondContact NH1-O 2.92Å; R154-V166 HydrophobicContact CB-CG2 4.14Å
155	N	94.2	Very high	93.2	Very high	80 Å²	80	39.2 Å²	39.2	43%	0.428	20%	0.196	S	C	.	.	H	α-helix	trans	-60.4	-40.4	-179.4	-66.5	-24.5	0	0	0	112	R19 D151 W152 I153 F157	R19-N155 PolarHBondContact NH1-OD1 3.19Å; D151-N155 PolarHBondContact O-N 2.67Å; D151-N155 PolarHBondContact O-ND2 2.92Å; W152-N155 PolarHBondContact O-N 3Å; I153-N155 PolarHBondContact O-N 2.9Å; N155-F157 VanDerWaalsContact C-N 3.35Å; N155-F157 PolarHBondContact O-N 2.77Å
156	V	94	Very high	93.6	Very high	14 Å²	14	38.3 Å²	38.3	9%	0.085	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-40.6	176.6	170.9	0	0	0	0	111.5	W152 I153 R154 M198 Q306 L309	W152-V156 HydrophobicContact CD2-CG2 4.14Å; W152-V156 HydrophobicContact CH2-CG2 4.37Å; W152-V156 HydrophobicContact CZ2-CG2 3.92Å; W152-V156 WeakPolarHBondContact O-CG2 3.38Å; W152-V156 PolarHBondContact O-N 3.43Å; I153-V156 PolarHBondContact O-N 3.25Å; R154-V156 VanDerWaalsContact C-N 3.32Å; R154-V156 PolarHBondContact O-N 3.32Å; V156-M198 HydrophobicContact CG1-CE 4.46Å; V156-Q306 HydrophobicContact CG1-CG 4.11Å; V156-L309 HydrophobicContact CG1-CD1 4.29Å
157	F	95.8	Very high	93.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-89.1	-16.5	-176.2	-77.2	-74.9	0	0	0	114.5	I105 V107 I153 R154 N155 E159 Y160 V163 V183 F185 A194 L309 V311	I105-F157 HydrophobicContact CD1-CD1 3.7Å; I105-F157 HydrophobicContact CD1-CE1 3.52Å; I105-F157 HydrophobicContact CD1-CG 4.41Å; I105-F157 HydrophobicContact CD1-CZ 4.11Å; V107-F157 HydrophobicContact CB-CE2 4.32Å; V107-F157 HydrophobicContact CB-CZ 4.38Å; V107-F157 HydrophobicContact CG1-CE2 3.87Å; V107-F157 HydrophobicContact CG1-CZ 3.98Å; V107-F157 HydrophobicContact CG2-CD2 4.35Å; V107-F157 HydrophobicContact CG2-CE1 4.29Å; V107-F157 HydrophobicContact CG2-CE2 3.5Å; V107-F157 VanDerWaalsContact CG2-CE2 3.5Å; V107-F157 HydrophobicContact CG2-CZ 3.46Å; V107-F157 VanDerWaalsContact CG2-CZ 3.46Å; I153-F157 HydrophobicContact CG2-CD2 3.75Å; I153-F157 HydrophobicContact CG2-CE2 4.07Å; I153-F157 VanDerWaalsContact O-CD2 3.29Å; I153-F157 WeakPolarHBondContact O-CD2 3.21Å; I153-F157 PolarHBondContact O-N 3.17Å; R154-F157 PolarHBondContact O-N 3.25Å; R154-F157 VanDerWaalsContact O-N 3.16Å; N155-F157 VanDerWaalsContact C-N 3.35Å; N155-F157 PolarHBondContact O-N 2.77Å; F157-E159 PolarHBondContact O-N 3.48Å; F157-Y160 AromaticContact CD1-CD2 3.88Å; F157-Y160 HydrophobicContact CD1-CD2 3.88Å; F157-Y160 HydrophobicContact CD1-CE2 4.18Å; F157-Y160 PolarHBondContact O-N 2.92Å; F157-V163 HydrophobicContact CB-CG2 3.96Å; F157-V183 HydrophobicContact CB-CG1 4.09Å; F157-V183 HydrophobicContact CD2-CG2 4Å; F157-V183 HydrophobicContact CE2-CG2 4.38Å; F157-V183 HydrophobicContact CG-CG1 4.32Å; F157-V183 HydrophobicContact CG-CG2 4.49Å; F157-F185 HydrophobicContact CB-CE1 4.31Å; F157-F185 HydrophobicContact CB-CZ 3.89Å; F157-F185 HydrophobicContact CD1-CZ 4.06Å; F157-F185 HydrophobicContact CG-CZ 4.34Å; F157-F185 WeakPolarHBondContact O-CE1 3.49Å; F157-A194 HydrophobicContact CD1-CB 4.05Å; F157-A194 HydrophobicContact CE1-CB 4.25Å; F157-L309 HydrophobicContact CE2-CD1 4.35Å; F157-V311 HydrophobicContact CE1-CG1 4.47Å; F157-V311 HydrophobicContact CE1-CG2 3.81Å; F157-V311 HydrophobicContact CZ-CG2 3.62Å
158	E	94.9	Very high	93.9	Very high	93 Å²	93	37.9 Å²	37.9	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-59	-27.1	176.6	-168.5	166.9	-157.6	0	0	112	R19 R154 Y160 G161	R19-E158 IonicContact NH2-OE1 2.8Å; R19-E158 IonicContact NH2-OE2 3.54Å; R19-E158 PolarHBondContact NH2-OE2 3.39Å; R19-E158 VanDerWaalsContact NH2-OE2 3.16Å; R154-E158 WeakPolarHBondContact O-CB 3.43Å; R154-E158 PolarHBondContact O-N 3.47Å; E158-Y160 PolarHBondContact O-N 3.15Å; E158-G161 WeakPolarHBondContact CA-O 3.21Å; E158-G161 PolarHBondContact O-N 3.25Å; E158-G161 VanDerWaalsContact O-N 3.16Å
159	E	93.5	Very high	94.1	Very high	125 Å²	125	34.7 Å²	34.7	58%	0.584	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29	172.9	-167.7	-173.8	160.6	0	0	113.4	F157	F157-E159 PolarHBondContact O-N 3.48Å
160	Y	95.1	Very high	93.9	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.035	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-14.9	-179.3	-53.2	-65.1	0	0	0	113.3	F157 E158 S190 K193 A194 H197 M198	F157-Y160 AromaticContact CD1-CD2 3.88Å; F157-Y160 HydrophobicContact CD1-CD2 3.88Å; F157-Y160 HydrophobicContact CD1-CE2 4.18Å; F157-Y160 PolarHBondContact O-N 2.92Å; E158-Y160 PolarHBondContact O-N 3.15Å; Y160-S190 WeakPolarHBondContact O-CB 3.42Å; Y160-S190 PolarHBondContact O-OG 3.14Å; Y160-K193 HydrophobicContact CD1-CD 4.35Å; Y160-K193 HydrophobicContact CD1-CG 4.23Å; Y160-A194 HydrophobicContact CD2-CB 3.8Å; Y160-A194 HydrophobicContact CG-CB 3.85Å; Y160-H197 HydrophobicContact CD1-CB 4.31Å; Y160-H197 HydrophobicContact CE1-CB 3.56Å; Y160-H197 AromaticContact CE1-CG 3.56Å; Y160-H197 AromaticContact CE1-ND1 3.78Å; Y160-H197 AromaticContact CZ-CG 4Å; Y160-H197 AromaticContact CZ-ND1 3.78Å; Y160-H197 PolarHBondContact OH-ND1 3.28Å; Y160-M198 HydrophobicContact CE2-CE 3.96Å; Y160-M198 WeakPolarHBondContact OH-CE 3.29Å
161	G	95.1	Very high	93.5	Very high	18 Å²	18	40 Å²	40	19%	0.186	19%	0.193	C	C	.	.	S	Bend	trans	152.2	178.1	175.4	0	0	0	0	0	112.9	E158 V163	E158-G161 WeakPolarHBondContact CA-O 3.21Å; E158-G161 PolarHBondContact O-N 3.25Å; E158-G161 VanDerWaalsContact O-N 3.16Å; G161-V163 PolarHBondContact O-N 2.94Å
162	E	94.1	Very high	92.9	Very high	91 Å²	91	47.8 Å²	47.8	43%	0.425	23%	0.229	S	C	.	.			trans	-63.3	116.6	-176.8	-170	-176.2	157.8	0	0	112	F185 R186	E162-F185 WeakPolarHBondContact O-CA 3.4Å; E162-R186 HydrophobicContact CB-CB 4.11Å; E162-R186 VanDerWaalsContact CD-CD 3.49Å; E162-R186 HydrophobicContact CG-CB 4.45Å; E162-R186 PolarHBondContact O-N 3.45Å; E162-R186 IonicContact OE1-NH1 2.98Å; E162-R186 PolarHBondContact OE1-NH1 3.48Å; E162-R186 WeakPolarHBondContact OE2-CD 3.37Å; E162-R186 IonicContact OE2-CZ 2.69Å; E162-R186 IonicContact OE2-NE 2.96Å; E162-R186 IonicContact OE2-NH1 3.85Å; E162-R186 PolarHBondContact OE2-NH1 2.85Å
163	V	95.6	Very high	92.1	Very high	13 Å²	13	52.1 Å²	52.1	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.8	178.3	178.1	0	0	0	0	109.3	R154 F157 G161 V166 V183 F185	R154-V163 HydrophobicContact CG-CB 4.03Å; R154-V163 HydrophobicContact CG-CG1 4.04Å; R154-V163 PolarHBondContact NH1-O 3.27Å; F157-V163 HydrophobicContact CB-CG2 3.96Å; G161-V163 PolarHBondContact O-N 2.94Å; V163-V166 HydrophobicContact CG1-CG2 3.85Å; V163-V183 HydrophobicContact CG1-CG1 3.68Å; V163-V183 HydrophobicContact CG2-CG1 4.05Å; V163-F185 HydrophobicContact CG2-CD1 4.05Å; V163-F185 HydrophobicContact CG2-CE1 3.71Å; V163-F185 HydrophobicContact CG2-CZ 4.39Å
164	L	93.6	Very high	91.4	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-47.3	177.5	-66	178.9	0	0	0	111.2	L97 R154 E184 R186	L97-L164 HydrophobicContact CD1-CD1 3.51Å; L97-L164 HydrophobicContact CD2-CD1 4.22Å; R154-L164 PolarHBondContact NH1-O 2.92Å; L164-E184 PolarHBondContact N-O 3.45Å; L164-R186 HydrophobicContact CD1-CB 4.18Å; L164-R186 HydrophobicContact CD2-CB 4.33Å; L164-R186 HydrophobicContact CG-CB 4.11Å
165	F	94	Very high	90.8	Very high	27 Å²	27	53.2 Å²	53.2	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	139.7	-171	-170.7	-87.6	0	0	0	112.6	F23 E184	F23-F165 AromaticContact CE2-CD2 3.51Å; F23-F165 HydrophobicContact CE2-CD2 3.51Å; F23-F165 AromaticContact CE2-CE2 3.99Å; F23-F165 HydrophobicContact CE2-CE2 3.99Å; F23-F165 HydrophobicContact CE2-CG 4.4Å; F23-F165 AromaticContact CZ-CD2 3.61Å; F23-F165 HydrophobicContact CZ-CD2 3.61Å; F23-F165 AromaticContact CZ-CE2 3.57Å; F23-F165 HydrophobicContact CZ-CE2 3.57Å; F165-E184 HydrophobicContact CB-CB 4.05Å; F165-E184 PolarHBondContact N-O 2.81Å; F165-E184 PolarHBondContact O-N 3.43Å
166	V	95.2	Very high	90.3	Very high	20 Å²	20	49.8 Å²	49.8	12%	0.121	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.4	171.7	-178.9	0	0	0	0	108.7	I153 R154 V163 A181 F182 V183	I153-V166 HydrophobicContact CB-CG1 4.19Å; I153-V166 HydrophobicContact CD1-CG1 4.3Å; I153-V166 HydrophobicContact CG2-CG1 3.89Å; I153-V166 HydrophobicContact CG2-CG2 4.32Å; R154-V166 HydrophobicContact CB-CG2 4.14Å; V163-V166 HydrophobicContact CG1-CG2 3.85Å; V166-A181 HydrophobicContact CG1-CB 4.47Å; V166-F182 CarbonylContact C-O 3.59Å; V166-F182 WeakPolarHBondContact CA-O 3.08Å; V166-V183 HydrophobicContact CG2-CG2 4.39Å
167	S	93.7	Very high	90	Very high	23 Å²	23	49.2 Å²	49.2	16%	0.161	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.7	178.4	-157.6	0	0	0	0	109.6	R32 P169 A181 F182	R32-S167 PolarHBondContact NH2-OG 3.34Å; S167-P169 WeakPolarHBondContact O-CD 3.09Å; S167-A181 CarbonylContact O-C 3.39Å; S167-A181 WeakPolarHBondContact O-CA 3.5Å; S167-A181 WeakPolarHBondContact O-CB 3.23Å; S167-F182 PolarHBondContact N-O 2.87Å; S167-F182 PolarHBondContact O-N 3.05Å
168	L	93.7	Very high	89.6	Confident	27 Å²	27	51.4 Å²	51.4	14%	0.141	25%	0.249	C	C	.	.			trans	-112.5	93.8	175.3	-76.4	164.5	0	0	0	110.4	L110 S146 L149 I153 R170 L177 A181	L110-L168 HydrophobicContact CD1-CD2 3.99Å; S146-L168 WeakPolarHBondContact O-CD1 3.14Å; L149-L168 HydrophobicContact CB-CD1 4.44Å; L149-L168 HydrophobicContact CD2-CD1 4.47Å; L149-L168 HydrophobicContact CD2-CD2 4.07Å; L149-L168 HydrophobicContact CG-CD1 4.47Å; I153-L168 HydrophobicContact CD1-CD2 3.81Å; L168-R170 WeakPolarHBondContact O-CG 3.28Å; L168-L177 HydrophobicContact CB-CD2 4.43Å; L168-A181 HydrophobicContact CD2-CB 3.76Å; L168-A181 HydrophobicContact CG-CB 4.44Å
169	P	92.7	Very high	89.4	Confident	26 Å²	26	47.4 Å²	47.4	17%	0.169	23%	0.233	C	C	.	.			trans	-59.7	137.5	177.6	-28.8	38.8	0	0	0	113.3	S167 R178 F180 F182	S167-P169 WeakPolarHBondContact O-CD 3.09Å; P169-R178 HydrophobicContact CB-CG 4.41Å; P169-R178 WeakPolarHBondContact O-CG 3.34Å; P169-R178 PolarHBondContact O-N 3.2Å; P169-F180 HydrophobicContact CB-CE2 4.17Å; P169-F180 HydrophobicContact CB-CZ 3.96Å; P169-F180 WeakPolarHBondContact CD-O 3.23Å; P169-F180 HydrophobicContact CG-CD2 4.22Å; P169-F180 HydrophobicContact CG-CE2 3.63Å; P169-F180 HydrophobicContact CG-CZ 3.94Å; P169-F182 HydrophobicContact CG-CD2 4.09Å; P169-F182 HydrophobicContact CG-CE2 3.8Å
170	R	89	Confident	89.4	Confident	70 Å²	70	41.6 Å²	41.6	26%	0.264	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-119.1	155.7	-179.9	-49.9	-167.9	-179.7	165.2	-1.3	111.2	S146 L168 N175 S176 L177	S146-R170 PolarHBondContact OG-NH2 3.34Å; L168-R170 WeakPolarHBondContact O-CG 3.28Å; R170-N175 WeakPolarHBondContact CD-OD1 3.31Å; R170-S176 CarbonylContact C-O 3.6Å; R170-S176 WeakPolarHBondContact CA-O 3.34Å; R170-L177 HydrophobicContact CG-CD2 3.79Å
171	Y	84.4	Confident	89.4	Confident	62 Å²	62	41.2 Å²	41.2	24%	0.243	21%	0.205	C	C	.	.			trans	-77.1	126.5	169	-69.8	-68.6	0	0	0	110.1	H173 S174 N175 S176 R178	Y171-H173 PolarHBondContact O-N 2.91Å; Y171-H173 VanDerWaalsContact O-N 3.1Å; Y171-S174 WeakPolarHBondContact CB-OG 3.32Å; Y171-N175 WeakPolarHBondContact O-CA 3.25Å; Y171-N175 PolarHBondContact O-N 3.45Å; Y171-S176 WeakPolarHBondContact CD2-O 3.25Å; Y171-S176 PolarHBondContact N-O 3.3Å; Y171-R178 HydrophobicContact CD1-CG 4.12Å; Y171-R178 HydrophobicContact CD2-CG 4Å; Y171-R178 HydrophobicContact CE1-CG 3.94Å; Y171-R178 HydrophobicContact CE2-CB 4.28Å; Y171-R178 HydrophobicContact CE2-CG 3.81Å; Y171-R178 HydrophobicContact CG-CG 4.15Å
172	H	78.1	Confident	89.5	Confident	192 Å²	192	41.5 Å²	41.5	89%	0.889	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.2	-177	-67.2	-79	0	0	0	115.1
173	H	78.2	Confident	89.7	Confident	155 Å²	155	37.2 Å²	37.2	72%	0.718	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-43.8	-175.8	-60.4	84.1	0	0	0	112.6	Y171	Y171-H173 PolarHBondContact O-N 2.91Å; Y171-H173 VanDerWaalsContact O-N 3.1Å
174	S	79.6	Confident	89.7	Confident	26 Å²	26	36.7 Å²	36.7	18%	0.182	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-6.7	-177.7	55.4	0	0	0	0	113.5	I115 Y171 S176	I115-S174 WeakPolarHBondContact CD1-O 3.47Å; Y171-S174 WeakPolarHBondContact CB-OG 3.32Å; S174-S176 PolarHBondContact O-N 2.98Å; S174-S176 WeakPolarHBondContact OG-CB 3.31Å
175	N	82.7	Confident	89.9	Confident	41 Å²	41	36.4 Å²	36.4	22%	0.219	18%	0.176	C	C	.	.			trans	50.4	10	-167.5	-149.3	15.3	0	0	0	115.6	L139 R170 Y171	L139-N175 HydrophobicContact CD1-CB 4.22Å; L139-N175 WeakPolarHBondContact CD1-ND2 3.41Å; R170-N175 WeakPolarHBondContact CD-OD1 3.31Å; Y171-N175 WeakPolarHBondContact O-CA 3.25Å; Y171-N175 PolarHBondContact O-N 3.45Å
176	S	84.3	Confident	89.9	Confident	7 Å²	7	39.2 Å²	39.2	5%	0.049	19%	0.186	C	C	.	.			trans	-69.8	143.8	179.4	169.9	0	0	0	0	110.4	L113 R170 Y171 S174	L113-S176 VanDerWaalsContact O-CB 3.24Å; L113-S176 WeakPolarHBondContact O-CB 3.39Å; L113-S176 PolarHBondContact O-OG 2.99Å; R170-S176 CarbonylContact C-O 3.6Å; R170-S176 WeakPolarHBondContact CA-O 3.34Å; Y171-S176 WeakPolarHBondContact CD2-O 3.25Å; Y171-S176 PolarHBondContact N-O 3.3Å; S174-S176 PolarHBondContact O-N 2.98Å; S174-S176 WeakPolarHBondContact OG-CB 3.31Å
177	L	86.9	Confident	89.9	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-66.6	137.6	176.9	-60.1	-170.7	0	0	0	110.6	L113 L149 L168 R170 G179	L113-L177 HydrophobicContact CB-CD1 4.47Å; L113-L177 HydrophobicContact CB-CG 4.34Å; L113-L177 HydrophobicContact CD1-CD1 3.57Å; L113-L177 HydrophobicContact CD1-CG 4.15Å; L113-L177 HydrophobicContact CG-CD1 4.04Å; L113-L177 HydrophobicContact CG-CG 4.44Å; L149-L177 HydrophobicContact CD2-CD1 3.49Å; L149-L177 VanDerWaalsContact CD2-CD1 3.49Å; L168-L177 HydrophobicContact CB-CD2 4.43Å; R170-L177 HydrophobicContact CG-CD2 3.79Å; L177-G179 PolarHBondContact O-N 2.81Å
178	R	87.4	Confident	90	Very high	45 Å²	45	42.1 Å²	42.1	17%	0.17	21%	0.205	C	C	.	.			trans	-74.4	-12.1	-178.6	-64.3	-175.2	68.2	-177.3	-0.5	114.2	P169 Y171 F180 C249 S251	P169-R178 HydrophobicContact CB-CG 4.41Å; P169-R178 WeakPolarHBondContact O-CG 3.34Å; P169-R178 PolarHBondContact O-N 3.2Å; Y171-R178 HydrophobicContact CD1-CG 4.12Å; Y171-R178 HydrophobicContact CD2-CG 4Å; Y171-R178 HydrophobicContact CE1-CG 3.94Å; Y171-R178 HydrophobicContact CE2-CB 4.28Å; Y171-R178 HydrophobicContact CE2-CG 3.81Å; Y171-R178 HydrophobicContact CG-CG 4.15Å; R178-F180 HydrophobicContact CB-CD1 3.71Å; R178-F180 HydrophobicContact CB-CE1 3.4Å; R178-F180 VanDerWaalsContact CB-CE1 3.4Å; R178-F180 HydrophobicContact CB-CZ 4.36Å; R178-F180 HydrophobicContact CG-CE1 4.24Å; R178-C249 VanDerWaalsContact CZ-O 3.29Å; R178-C249 PolarHBondContact NH2-O 3.3Å; R178-S251 VanDerWaalsContact NH2-N 3.11Å
179	G	89.7	Confident	90.1	Very high	10 Å²	10	48.4 Å²	48.4	10%	0.103	23%	0.231	C	C	.	.	S	Bend	trans	88	21.1	-178.4	0	0	0	0	0	114.8	L110 L177	L110-G179 PolarHBondContact N-O 2.91Å; L110-G179 WeakPolarHBondContact O-CA 3.39Å; L177-G179 PolarHBondContact O-N 2.81Å
180	F	94.1	Very high	90.3	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.013	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161.4	172	67.9	-86.1	0	0	0	110.8	L106 V107 T108 P169 R178 F182 C249 W317	L106-F180 HydrophobicContact CD1-CB 4.27Å; L106-F180 HydrophobicContact CD1-CD2 3.64Å; L106-F180 HydrophobicContact CD1-CE2 4.39Å; L106-F180 HydrophobicContact CD1-CG 4.32Å; V107-F180 CarbonylContact O-C 3.52Å; V107-F180 WeakPolarHBondContact O-CA 3.24Å; V107-F180 VanDerWaalsContact O-CB 3.28Å; V107-F180 WeakPolarHBondContact O-CB 3.28Å; T108-F180 HydrophobicContact CG2-CB 4.44Å; P169-F180 HydrophobicContact CB-CE2 4.17Å; P169-F180 HydrophobicContact CB-CZ 3.96Å; P169-F180 WeakPolarHBondContact CD-O 3.23Å; P169-F180 HydrophobicContact CG-CD2 4.22Å; P169-F180 HydrophobicContact CG-CE2 3.63Å; P169-F180 HydrophobicContact CG-CZ 3.94Å; R178-F180 HydrophobicContact CB-CD1 3.71Å; R178-F180 HydrophobicContact CB-CE1 3.4Å; R178-F180 VanDerWaalsContact CB-CE1 3.4Å; R178-F180 HydrophobicContact CB-CZ 4.36Å; R178-F180 HydrophobicContact CG-CE1 4.24Å; F180-F182 HydrophobicContact CD2-CE2 4.2Å; F180-F182 HydrophobicContact CD2-CZ 4.19Å; F180-F182 AromaticContact CE2-CE2 3.64Å; F180-F182 HydrophobicContact CE2-CE2 3.64Å; F180-F182 AromaticContact CE2-CZ 3.68Å; F180-F182 HydrophobicContact CE2-CZ 3.68Å; F180-C249 HydrophobicContact CB-CB 4.43Å; F180-C249 WeakPolarHBondContact CB-SG 3.47Å; F180-C249 HydrophobicContact CD1-CB 3.54Å; F180-C249 HydrophobicContact CD2-CB 4.29Å; F180-C249 HydrophobicContact CE1-CB 3.7Å; F180-C249 WeakPolarHBondContact CE1-O 3.34Å; F180-C249 HydrophobicContact CE2-CB 4.4Å; F180-C249 HydrophobicContact CG-CB 3.86Å; F180-C249 VanDerWaalsContact CG-SG 3.56Å; F180-C249 HydrophobicContact CZ-CB 4.14Å; F180-W317 HydrophobicContact CE2-CH2 4.16Å; F180-W317 HydrophobicContact CZ-CH2 4.19Å
181	A	96.1	Very high	90.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	158.5	179	0	0	0	0	0	111.2	V107 L110 I153 V166 S167 L168	V107-A181 HydrophobicContact CB-CB 4.44Å; V107-A181 PolarHBondContact N-O 2.97Å; V107-A181 PolarHBondContact O-N 3.29Å; L110-A181 HydrophobicContact CD1-CB 3.53Å; I153-A181 HydrophobicContact CD1-CB 3.79Å; V166-A181 HydrophobicContact CG1-CB 4.47Å; S167-A181 CarbonylContact O-C 3.39Å; S167-A181 WeakPolarHBondContact O-CA 3.5Å; S167-A181 WeakPolarHBondContact O-CB 3.23Å; L168-A181 HydrophobicContact CD2-CB 3.76Å; L168-A181 HydrophobicContact CG-CB 4.44Å
182	F	97.3	Very high	91.2	Very high	25 Å²	25	49.3 Å²	49.3	11%	0.11	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129	164.5	-57.7	-77.8	0	0	0	108.9	T104 I105 L106 V166 S167 P169 F180 Y314 W317	T104-F182 HydrophobicContact CG2-CB 4.06Å; T104-F182 HydrophobicContact CG2-CD1 4.48Å; I105-F182 VanDerWaalsContact O-CA 3.32Å; I105-F182 WeakPolarHBondContact O-CA 3.49Å; L106-F182 HydrophobicContact CB-CD1 4.49Å; L106-F182 HydrophobicContact CB-CE1 4.43Å; L106-F182 HydrophobicContact CD1-CD1 4.12Å; L106-F182 HydrophobicContact CD1-CE1 3.68Å; L106-F182 HydrophobicContact CD1-CZ 4.2Å; V166-F182 CarbonylContact C-O 3.59Å; V166-F182 WeakPolarHBondContact CA-O 3.08Å; S167-F182 PolarHBondContact N-O 2.87Å; S167-F182 PolarHBondContact O-N 3.05Å; P169-F182 HydrophobicContact CG-CD2 4.09Å; P169-F182 HydrophobicContact CG-CE2 3.8Å; F180-F182 HydrophobicContact CD2-CE2 4.2Å; F180-F182 HydrophobicContact CD2-CZ 4.19Å; F180-F182 AromaticContact CE2-CE2 3.64Å; F180-F182 HydrophobicContact CE2-CE2 3.64Å; F180-F182 AromaticContact CE2-CZ 3.68Å; F180-F182 HydrophobicContact CE2-CZ 3.68Å; F182-Y314 HydrophobicContact CD1-CD2 4.04Å; F182-Y314 AromaticContact CD1-CE2 3.99Å; F182-Y314 HydrophobicContact CD1-CE2 3.99Å; F182-Y314 HydrophobicContact CE1-CD2 4.14Å; F182-Y314 AromaticContact CE1-CE2 3.9Å; F182-Y314 HydrophobicContact CE1-CE2 3.9Å; F182-W317 AromaticContact CE1-CD1 3.86Å; F182-W317 AromaticContact CE1-CD2 3.99Å; F182-W317 HydrophobicContact CE1-CD2 3.99Å; F182-W317 AromaticContact CE1-CE2 3.85Å; F182-W317 AromaticContact CE1-CG 3.98Å; F182-W317 HydrophobicContact CE1-CG 3.98Å; F182-W317 HydrophobicContact CE1-CZ2 4.46Å; F182-W317 AromaticContact CE1-NE1 3.75Å; F182-W317 HydrophobicContact CZ-CD2 4.1Å; F182-W317 AromaticContact CZ-CE2 3.56Å; F182-W317 HydrophobicContact CZ-CG 4.49Å; F182-W317 HydrophobicContact CZ-CH2 4.44Å; F182-W317 AromaticContact CZ-CZ2 3.74Å; F182-W317 HydrophobicContact CZ-CZ2 3.74Å; F182-W317 AromaticContact CZ-NE1 3.68Å
183	V	97.3	Very high	92	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124	176.2	-178.5	0	0	0	0	107.9	T104 I105 V107 I153 F157 V163 V166 F185	T104-V183 CarbonylContact C-O 3.57Å; T104-V183 WeakPolarHBondContact CA-O 3.11Å; I105-V183 HydrophobicContact CD1-CB 4.04Å; I105-V183 HydrophobicContact CG1-CB 3.71Å; I105-V183 WeakPolarHBondContact CG1-O 3.4Å; I105-V183 PolarHBondContact N-O 2.82Å; I105-V183 PolarHBondContact O-N 3.26Å; V107-V183 HydrophobicContact CG2-CB 4.44Å; V107-V183 HydrophobicContact CG2-CG2 3.71Å; I153-V183 HydrophobicContact CG2-CG2 3.49Å; I153-V183 VanDerWaalsContact CG2-CG2 3.49Å; F157-V183 HydrophobicContact CB-CG1 4.09Å; F157-V183 HydrophobicContact CD2-CG2 4Å; F157-V183 HydrophobicContact CE2-CG2 4.38Å; F157-V183 HydrophobicContact CG-CG1 4.32Å; F157-V183 HydrophobicContact CG-CG2 4.49Å; V163-V183 HydrophobicContact CG1-CG1 3.68Å; V163-V183 HydrophobicContact CG2-CG1 4.05Å; V166-V183 HydrophobicContact CG2-CG2 4.39Å; V183-F185 HydrophobicContact CG1-CD2 4.49Å; V183-F185 HydrophobicContact CG1-CE2 4.05Å; V183-F185 HydrophobicContact CG1-CZ 4.17Å
184	E	96.2	Very high	92.8	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.5	-177.1	-177.5	173.6	147.4	0	0	108.8	R100 R103 L164 F165	R100-E184 IonicContact CZ-OE2 3.36Å; R100-E184 IonicContact NE-OE1 3.56Å; R100-E184 IonicContact NE-OE2 2.62Å; R100-E184 PolarHBondContact NE-OE2 2.84Å; R100-E184 IonicContact NH2-OE2 3.67Å; R103-E184 IonicContact CZ-OE1 2.73Å; R103-E184 IonicContact NH1-OE1 2.95Å; R103-E184 PolarHBondContact NH1-OE1 3.31Å; R103-E184 IonicContact NH2-OE1 3.84Å; R103-E184 PolarHBondContact NH2-OE1 3.26Å; L164-E184 PolarHBondContact N-O 3.45Å; F165-E184 HydrophobicContact CB-CB 4.05Å; F165-E184 PolarHBondContact N-O 2.81Å; F165-E184 PolarHBondContact O-N 3.43Å
185	F	96.9	Very high	93.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	161.9	177	-69.6	-84.8	0	0	0	111.3	R103 I105 F157 E162 V163 V183 A191 A194	R103-F185 WeakPolarHBondContact CD-O 3.47Å; R103-F185 WeakPolarHBondContact CG-O 3.42Å; R103-F185 PolarHBondContact NH1-O 2.88Å; R103-F185 VanDerWaalsContact NH1-O 3.14Å; R103-F185 PolarHBondContact O-N 3.34Å; I105-F185 HydrophobicContact CD1-CE2 3.64Å; I105-F185 HydrophobicContact CD1-CZ 4.27Å; I105-F185 HydrophobicContact CG1-CE2 3.87Å; I105-F185 HydrophobicContact CG2-CE2 4.32Å; F157-F185 HydrophobicContact CB-CE1 4.31Å; F157-F185 HydrophobicContact CB-CZ 3.89Å; F157-F185 HydrophobicContact CD1-CZ 4.06Å; F157-F185 HydrophobicContact CG-CZ 4.34Å; F157-F185 WeakPolarHBondContact O-CE1 3.49Å; E162-F185 WeakPolarHBondContact O-CA 3.4Å; V163-F185 HydrophobicContact CG2-CD1 4.05Å; V163-F185 HydrophobicContact CG2-CE1 3.71Å; V163-F185 HydrophobicContact CG2-CZ 4.39Å; V183-F185 HydrophobicContact CG1-CD2 4.49Å; V183-F185 HydrophobicContact CG1-CE2 4.05Å; V183-F185 HydrophobicContact CG1-CZ 4.17Å; F185-A191 HydrophobicContact CD2-CB 3.85Å; F185-A191 HydrophobicContact CE2-CB 4.48Å; F185-A194 HydrophobicContact CE2-CB 4.05Å; F185-A194 HydrophobicContact CZ-CB 3.89Å
186	R	94.4	Very high	93.9	Very high	86 Å²	86	44.7 Å²	44.7	33%	0.325	21%	0.206	S	C	.	.	S	Bend	trans	-64.9	-39.9	169	-171.1	169.7	-173	169.7	6.5	112.3	S95 L97 E162 L164	S95-R186 PolarHBondContact OG-NH2 3.43Å; L97-R186 HydrophobicContact CD2-CG 4.13Å; E162-R186 HydrophobicContact CB-CB 4.11Å; E162-R186 VanDerWaalsContact CD-CD 3.49Å; E162-R186 HydrophobicContact CG-CB 4.45Å; E162-R186 PolarHBondContact O-N 3.45Å; E162-R186 IonicContact OE1-NH1 2.98Å; E162-R186 PolarHBondContact OE1-NH1 3.48Å; E162-R186 WeakPolarHBondContact OE2-CD 3.37Å; E162-R186 IonicContact OE2-CZ 2.69Å; E162-R186 IonicContact OE2-NE 2.96Å; E162-R186 IonicContact OE2-NH1 3.85Å; E162-R186 PolarHBondContact OE2-NH1 2.85Å; L164-R186 HydrophobicContact CD1-CB 4.18Å; L164-R186 HydrophobicContact CD2-CB 4.33Å; L164-R186 HydrophobicContact CG-CB 4.11Å
187	T	95.3	Very high	94.1	Very high	65 Å²	65	49.3 Å²	49.3	40%	0.399	23%	0.227	S	C	.	.	S	Bend	trans	-120.6	148.2	-177.8	79.7	0	0	0	0	112.7	K189 S190 A191	T187-K189 PolarHBondContact O-N 3.4Å; T187-S190 PolarHBondContact O-N 2.99Å; T187-S190 PolarHBondContact OG1-N 3.45Å; T187-S190 PolarHBondContact OG1-OG 3.48Å; T187-A191 PolarHBondContact O-N 3.46Å
188	S	96	Very high	93.9	Very high	39 Å²	39	50.2 Å²	50.2	27%	0.273	23%	0.231	S	C	.	.	H	α-helix	trans	-65.1	-25.9	172.5	177.6	0	0	0	0	112.9	R102 A191 R192	R102-S188 WeakPolarHBondContact O-CA 3.37Å; R102-S188 WeakPolarHBondContact O-CB 3.34Å; R102-S188 PolarHBondContact O-OG 2.77Å; S188-A191 PolarHBondContact O-N 3.31Å; S188-R192 PolarHBondContact O-N 3.01Å; S188-R192 VanDerWaalsContact O-N 3.11Å; S188-R192 PolarHBondContact O-NE 3.14Å
189	K	96.4	Very high	93.1	Very high	158 Å²	158	51.5 Å²	51.5	69%	0.687	25%	0.246	S	C	*	.	H	α-helix	trans	-67.1	-42.2	177.4	-170.7	176.9	179.8	179.1	0	111.1	T187 R192 K193	T187-K189 PolarHBondContact O-N 3.4Å; K189-R192 PolarHBondContact O-N 3.36Å; K189-K193 WeakPolarHBondContact O-CB 3.41Å; K189-K193 PolarHBondContact O-N 2.93Å
190	S	96.8	Very high	91.9	Very high	20 Å²	20	57.6 Å²	57.6	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-43.3	175.1	-59.4	0	0	0	0	112.1	Y160 T187 R192 K193 A194	Y160-S190 WeakPolarHBondContact O-CB 3.42Å; Y160-S190 PolarHBondContact O-OG 3.14Å; T187-S190 PolarHBondContact O-N 2.99Å; T187-S190 PolarHBondContact OG1-N 3.45Å; T187-S190 PolarHBondContact OG1-OG 3.48Å; S190-R192 PolarHBondContact O-N 2.7Å; S190-K193 WeakPolarHBondContact O-CB 3.44Å; S190-K193 PolarHBondContact O-N 3.44Å; S190-A194 PolarHBondContact O-N 2.89Å
191	A	96.3	Very high	90.1	Very high	4 Å²	4	64.3 Å²	64.3	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-58.5	-46.1	175	0	0	0	0	0	112.4	I105 F185 T187 S188 A194 V195	I105-A191 HydrophobicContact CG2-CB 3.78Å; F185-A191 HydrophobicContact CD2-CB 3.85Å; F185-A191 HydrophobicContact CE2-CB 4.48Å; T187-A191 PolarHBondContact O-N 3.46Å; S188-A191 PolarHBondContact O-N 3.31Å; A191-A194 PolarHBondContact O-N 3.35Å; A191-V195 WeakPolarHBondContact O-CG2 3.46Å; A191-V195 PolarHBondContact O-N 3.04Å; A191-V195 VanDerWaalsContact O-N 3.14Å
192	R	95.5	Very high	88.3	Confident	153 Å²	153	68.5 Å²	68.5	58%	0.577	33%	0.326	S	S	*	.	H	α-helix	trans	-65	-39.4	176.2	-74.9	-179.1	-77.5	147.7	-8.3	112.8	S188 K189 S190 V195 K196	S188-R192 PolarHBondContact O-N 3.01Å; S188-R192 VanDerWaalsContact O-N 3.11Å; S188-R192 PolarHBondContact O-NE 3.14Å; K189-R192 PolarHBondContact O-N 3.36Å; S190-R192 PolarHBondContact O-N 2.7Å; R192-V195 PolarHBondContact O-N 3.09Å; R192-K196 WeakPolarHBondContact O-CB 3.34Å; R192-K196 PolarHBondContact O-N 3.27Å
193	K	95.5	Very high	86.4	Confident	115 Å²	115	75.8 Å²	75.8	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-45.8	175.9	-172	-172.1	176.6	-164.7	0	110.9	Y160 K189 S190 K196 H197	Y160-K193 HydrophobicContact CD1-CD 4.35Å; Y160-K193 HydrophobicContact CD1-CG 4.23Å; K189-K193 WeakPolarHBondContact O-CB 3.41Å; K189-K193 PolarHBondContact O-N 2.93Å; S190-K193 WeakPolarHBondContact O-CB 3.44Å; S190-K193 PolarHBondContact O-N 3.44Å; K193-K196 PolarHBondContact O-N 3.37Å; K193-H197 PolarHBondContact O-N 3.37Å
194	A	94.8	Very high	85	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-61.4	-45.5	178.3	0	0	0	0	0	112.4	I105 F157 Y160 F185 S190 A191 K196 H197 M198	I105-A194 HydrophobicContact CD1-CB 4.12Å; F157-A194 HydrophobicContact CD1-CB 4.05Å; F157-A194 HydrophobicContact CE1-CB 4.25Å; Y160-A194 HydrophobicContact CD2-CB 3.8Å; Y160-A194 HydrophobicContact CG-CB 3.85Å; F185-A194 HydrophobicContact CE2-CB 4.05Å; F185-A194 HydrophobicContact CZ-CB 3.89Å; S190-A194 PolarHBondContact O-N 2.89Å; A191-A194 PolarHBondContact O-N 3.35Å; A194-K196 PolarHBondContact O-N 3.2Å; A194-H197 PolarHBondContact O-N 2.7Å; A194-M198 WeakPolarHBondContact O-CB 3.47Å; A194-M198 PolarHBondContact O-N 3.32Å; A194-M198 VanDerWaalsContact O-N 3.13Å
195	V	93.5	Very high	83.9	Confident	24 Å²	24	83.8 Å²	83.8	15%	0.145	40%	0.402	C	S	.	.	H	α-helix	trans	-60.7	-46.4	176.5	175.6	0	0	0	0	110.8	I105 A191 R192 H197 M198 C199 V311 R313	I105-V195 HydrophobicContact CG2-CG2 3.81Å; A191-V195 WeakPolarHBondContact O-CG2 3.46Å; A191-V195 PolarHBondContact O-N 3.04Å; A191-V195 VanDerWaalsContact O-N 3.14Å; R192-V195 PolarHBondContact O-N 3.09Å; V195-H197 PolarHBondContact O-N 2.84Å; V195-M198 PolarHBondContact O-N 2.7Å; V195-C199 VanDerWaalsContact O-CB 3.27Å; V195-C199 WeakPolarHBondContact O-CB 3.32Å; V195-C199 PolarHBondContact O-N 2.8Å; V195-C199 VanDerWaalsContact O-N 3.15Å; V195-V311 HydrophobicContact CG2-CG1 3.87Å; V195-R313 HydrophobicContact CG1-CG 4.33Å; V195-R313 HydrophobicContact CG2-CG 3.97Å
196	K	91.8	Very high	83.1	Confident	178 Å²	178	90 Å²	90	77%	0.774	43%	0.431	S	S	*	.	H	α-helix	trans	-62.2	-40.8	-178.6	-171.9	177.5	-178.7	-179.9	0	112.4	R192 K193 A194	R192-K196 WeakPolarHBondContact O-CB 3.34Å; R192-K196 PolarHBondContact O-N 3.27Å; K193-K196 PolarHBondContact O-N 3.37Å; A194-K196 PolarHBondContact O-N 3.2Å
197	H	87.9	Confident	82.5	Confident	104 Å²	104	88.3 Å²	88.3	48%	0.481	43%	0.425	S	S	.	.	H	α-helix	trans	-77.1	-28	-176.8	-162.8	-83.2	0	0	0	113.4	Y160 K193 A194 V195	Y160-H197 HydrophobicContact CD1-CB 4.31Å; Y160-H197 HydrophobicContact CE1-CB 3.56Å; Y160-H197 AromaticContact CE1-CG 3.56Å; Y160-H197 AromaticContact CE1-ND1 3.78Å; Y160-H197 AromaticContact CZ-CG 4Å; Y160-H197 AromaticContact CZ-ND1 3.78Å; Y160-H197 PolarHBondContact OH-ND1 3.28Å; K193-H197 PolarHBondContact O-N 3.37Å; A194-H197 PolarHBondContact O-N 2.7Å; V195-H197 PolarHBondContact O-N 2.84Å
198	M	83.7	Confident	81.8	Confident	22 Å²	22	89.2 Å²	89.2	11%	0.108	43%	0.427	C	S	.	.	H	α-helix	trans	-95	0.1	-179.7	-70.7	-75.4	171.2	0	0	113.5	V156 Y160 A194 V195 L200 Q306 V311	V156-M198 HydrophobicContact CG1-CE 4.46Å; Y160-M198 HydrophobicContact CE2-CE 3.96Å; Y160-M198 WeakPolarHBondContact OH-CE 3.29Å; A194-M198 WeakPolarHBondContact O-CB 3.47Å; A194-M198 PolarHBondContact O-N 3.32Å; A194-M198 VanDerWaalsContact O-N 3.13Å; V195-M198 PolarHBondContact O-N 2.7Å; M198-L200 PolarHBondContact O-N 2.89Å; M198-Q306 HydrophobicContact CE-CG 4.02Å; M198-V311 HydrophobicContact CB-CB 3.87Å; M198-V311 HydrophobicContact CB-CG2 3.56Å; M198-V311 HydrophobicContact CG-CG2 3.87Å
199	C	70.7	Confident	81.3	Confident	72 Å²	72	89.5 Å²	89.5	49%	0.486	43%	0.427	S	S	.	.			trans	-90.6	40.2	174.6	-161.8	0	0	0	0	111.4	V195 F201	V195-C199 VanDerWaalsContact O-CB 3.27Å; V195-C199 WeakPolarHBondContact O-CB 3.32Å; V195-C199 PolarHBondContact O-N 2.8Å; V195-C199 VanDerWaalsContact O-N 3.15Å; C199-F201 PolarHBondContact O-N 2.98Å
200	L	63.6	Low	80.7	Confident	138 Å²	138	88.6 Å²	88.6	72%	0.723	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-72.2	118.5	171	-66.8	173.5	0	0	0	108.3	M198	M198-L200 PolarHBondContact O-N 2.89Å
201	F	57.1	Low	80.2	Confident	144 Å²	144	88.9 Å²	88.9	63%	0.632	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-64.4	128.4	-178	-170.9	-98	0	0	0	110	C199 P237	C199-F201 PolarHBondContact O-N 2.98Å; F201-P237 HydrophobicContact CE2-CB 4.39Å
202	M	58	Low	79.6	Confident	89 Å²	89	91 Å²	91	44%	0.438	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-95.4	126.6	169.5	-102	179.3	55.2	0	0	108.6	N204 E205 R310	M202-N204 PolarHBondContact O-N 3.39Å; M202-E205 HydrophobicContact CB-CG 4.49Å; M202-R310 PolarHBondContact SD-NH2 3.26Å
203	E	57.1	Low	78.4	Confident	178 Å²	178	93 Å²	93	83%	0.832	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.8	178	-67	173.9	175.9	0	0	112.8
204	N	66.8	Low	76.7	Confident	135 Å²	135	90.8 Å²	90.8	72%	0.722	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	26.8	-170.9	-60.4	-13.8	0	0	0	114.4	M202 Q206	M202-N204 PolarHBondContact O-N 3.39Å; N204-Q206 PolarHBondContact O-N 3.46Å
205	E	74.9	Confident	74.9	Confident	36 Å²	36	98.6 Å²	98.6	17%	0.168	49%	0.493	C	S	.	.			trans	-77.3	117.8	174.4	-69.5	-74.2	163.3	0	0	110.2	M202 W207 L241 R244	M202-E205 HydrophobicContact CB-CG 4.49Å; E205-W207 HydrophobicContact CB-CZ2 4.03Å; E205-W207 PolarHBondContact O-NE1 2.96Å; E205-L241 HydrophobicContact CG-CD2 4.13Å; E205-R244 IonicContact OE2-CZ 3.34Å; E205-R244 IonicContact OE2-NH1 3.3Å; E205-R244 PolarHBondContact OE2-NH1 2.9Å
206	Q	78.8	Confident	72.9	Confident	131 Å²	131	105.1 Å²	105.1	61%	0.612	52%	0.522	S	S	*	.			trans	-75.7	127.8	172.2	-70.6	176	-11.9	0	0	110.3	N204 R244	N204-Q206 PolarHBondContact O-N 3.46Å; Q206-R244 PolarHBondContact O-NH1 3.2Å; Q206-R244 VanDerWaalsContact O-NH1 3.13Å
207	W	81.8	Confident	71	Confident	50 Å²	50	103.6 Å²	103.6	19%	0.189	53%	0.527	C	S	.	.			trans	-119.4	135.8	-178.6	-61.3	107.5	0	0	0	110.6	E205 P211 M240 L241	E205-W207 HydrophobicContact CB-CZ2 4.03Å; E205-W207 PolarHBondContact O-NE1 2.96Å; W207-P211 HydrophobicContact CD2-CG 4.08Å; W207-P211 HydrophobicContact CG-CG 4.36Å; W207-P211 HydrophobicContact CZ2-CG 4.17Å; W207-M240 HydrophobicContact CE3-CE 3.65Å; W207-M240 HydrophobicContact CH2-CB 3.75Å; W207-M240 HydrophobicContact CZ3-CB 3.54Å; W207-M240 HydrophobicContact CZ3-CE 3.83Å; W207-M240 HydrophobicContact CZ3-SD 4.49Å; W207-L241 HydrophobicContact CH2-CD2 3.63Å; W207-L241 HydrophobicContact CH2-CG 3.75Å; W207-L241 HydrophobicContact CZ2-CD2 3.93Å; W207-L241 HydrophobicContact CZ2-CG 4.1Å
208	L	81.6	Confident	69.5	Low	84 Å²	84	103.2 Å²	103.2	44%	0.44	54%	0.536	S	S	.	.	S	Bend	trans	-68.6	-40.5	169.2	-175.1	72.1	0	0	0	111.2	A231	L208-A231 HydrophobicContact CD2-CB 3.85Å; L208-A231 WeakPolarHBondContact CD2-O 3.14Å
209	V	84.3	Confident	68.8	Low	45 Å²	45	108.9 Å²	108.9	27%	0.273	57%	0.566	S	S	.	*	S	Bend	trans	-131.6	132.7	176.8	-174.2	0	0	0	0	107.5	M240	V209-M240 WeakPolarHBondContact O-CE 3.29Å
210	Q	84.6	Confident	69.2	Low	139 Å²	139	106.7 Å²	106.7	65%	0.65	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-61.2	139.3	-177.7	-66	-61	-17.6	0	0	111.1	S234	Q210-S234 WeakPolarHBondContact O-CB 3.46Å
211	P	85.1	Confident	70.2	Confident	25 Å²	25	102.4 Å²	102.4	16%	0.162	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-59	149.7	173.4	-22.7	33.6	0	0	0	112.1	W207 P237 M240	W207-P211 HydrophobicContact CD2-CG 4.08Å; W207-P211 HydrophobicContact CG-CG 4.36Å; W207-P211 HydrophobicContact CZ2-CG 4.17Å; P211-P237 HydrophobicContact CB-CB 4.13Å; P211-P237 HydrophobicContact CB-CG 3.65Å; P211-P237 HydrophobicContact CG-CB 4.37Å; P211-P237 HydrophobicContact CG-CG 4.32Å; P211-M240 HydrophobicContact CB-SD 4Å; P211-M240 HydrophobicContact CG-SD 4.11Å
212	T	84.2	Confident	71.6	Confident	50 Å²	50	101.5 Å²	101.5	31%	0.307	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-71.5	130.9	174.9	-45.7	0	0	0	0	109.7	T214 F235	T212-T214 HydrophobicContact CG2-CG2 4.14Å; T212-T214 VanDerWaalsContact CG2-OG1 3.28Å; T212-T214 WeakPolarHBondContact CG2-OG1 3.48Å; T212-T214 PolarHBondContact O-N 2.91Å; T212-T214 VanDerWaalsContact O-N 3.14Å; T212-F235 PolarHBondContact N-O 3.47Å
213	E	71.4	Confident	73.1	Confident	194 Å²	194	99.4 Å²	99.4	91%	0.907	52%	0.524	S	S	*	.			trans	-68.3	-7	-178.4	-63.6	-176.5	174.7	0	0	113.8	N215	E213-N215 PolarHBondContact O-N 3.43Å
214	T	59.6	Low	74.6	Confident	68 Å²	68	90.9 Å²	90.9	42%	0.417	48%	0.484	S	S	.	.			trans	-78.2	119.2	-176.8	55.8	0	0	0	0	111.8	T212 E216	T212-T214 HydrophobicContact CG2-CG2 4.14Å; T212-T214 VanDerWaalsContact CG2-OG1 3.28Å; T212-T214 WeakPolarHBondContact CG2-OG1 3.48Å; T212-T214 PolarHBondContact O-N 2.91Å; T212-T214 VanDerWaalsContact O-N 3.14Å; T214-E216 PolarHBondContact O-N 3.04Å
215	N	55.9	Low	75.8	Confident	164 Å²	164	85.9 Å²	85.9	88%	0.877	46%	0.455	S	S	*	.			trans	-76	-2.6	165	-82.3	-36.4	0	0	0	113.2	E213 V217	E213-N215 PolarHBondContact O-N 3.43Å; N215-V217 PolarHBondContact O-N 2.89Å
216	E	52.7	Low	76.7	Confident	162 Å²	162	86.1 Å²	86.1	76%	0.757	46%	0.456	S	S	*	.	S	Bend	trans	-64.5	134.4	174.2	-63.1	-170.4	176	0	0	109.3	T214 S218	T214-E216 PolarHBondContact O-N 3.04Å; E216-S218 PolarHBondContact O-N 3.42Å
217	V	50.8	Low	77.4	Confident	146 Å²	146	80.8 Å²	80.8	89%	0.885	43%	0.433	S	S	*	.			trans	-69	65.9	-179.8	-172.3	0	0	0	0	108.6	N215 D219	N215-V217 PolarHBondContact O-N 2.89Å; V217-D219 PolarHBondContact O-N 3.35Å
218	S	56.7	Low	77.8	Confident	95 Å²	95	83 Å²	83	66%	0.664	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-71.9	125.9	168	-178.5	0	0	0	0	107.2	E216 C220	E216-S218 PolarHBondContact O-N 3.42Å; S218-C220 PolarHBondContact O-N 3.08Å
219	D	70	Confident	78.3	Confident	141 Å²	141	82 Å²	82	75%	0.754	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-52.5	137.9	167.1	-75.8	-38.9	0	0	0	109.3	V217	V217-D219 PolarHBondContact O-N 3.35Å
220	C	77.7	Confident	78.7	Confident	27 Å²	27	79.9 Å²	79.9	18%	0.182	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-63.8	127.3	176.8	57.9	0	0	0	0	109	S218 F319	S218-C220 PolarHBondContact O-N 3.08Å; C220-F319 WeakPolarHBondContact SG-CZ 3.17Å
221	P	84.6	Confident	78.9	Confident	48 Å²	48	73.8 Å²	73.8	31%	0.312	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-64.5	149.4	-175.1	27.1	-36.6	0	0	0	110.8	S223 A224 V233	P221-S223 PolarHBondContact O-N 3.44Å; P221-S223 VanDerWaalsContact O-N 3.11Å; P221-A224 WeakPolarHBondContact O-CB 3.23Å; P221-A224 PolarHBondContact O-N 3.14Å; P221-V233 HydrophobicContact CG-CG2 3.47Å; P221-V233 VanDerWaalsContact CG-CG2 3.47Å
222	E	87.5	Confident	79.2	Confident	125 Å²	125	79.9 Å²	79.9	58%	0.584	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-60	-27.1	179.8	-61.3	-164.2	152	0	0	113.5	A224 W225	E222-A224 PolarHBondContact O-N 2.9Å; E222-W225 VanDerWaalsContact CA-CZ2 3.47Å; E222-W225 HydrophobicContact CB-CH2 4.3Å; E222-W225 HydrophobicContact CB-CZ2 3.81Å; E222-W225 HydrophobicContact CG-CH2 4.22Å; E222-W225 HydrophobicContact CG-CZ2 3.84Å; E222-W225 PolarHBondContact O-N 3.04Å
223	S	89	Confident	79.5	Confident	44 Å²	44	78.6 Å²	78.6	31%	0.308	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-55.7	-19.8	172	-52.1	0	0	0	0	113.1	P221 W225 K226 A230	P221-S223 PolarHBondContact O-N 3.44Å; P221-S223 VanDerWaalsContact O-N 3.11Å; S223-W225 PolarHBondContact O-N 3.33Å; S223-W225 VanDerWaalsContact O-N 3.09Å; S223-K226 PolarHBondContact O-N 3.33Å; S223-A230 WeakPolarHBondContact O-CA 3.3Å; S223-A230 PolarHBondContact O-N 2.96Å
224	A	89.3	Confident	80.3	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-62.3	-13.3	178	0	0	0	0	0	115.5	P221 E222 V233 F235 R243 W320	P221-A224 WeakPolarHBondContact O-CB 3.23Å; P221-A224 PolarHBondContact O-N 3.14Å; E222-A224 PolarHBondContact O-N 2.9Å; A224-V233 VanDerWaalsContact CA-CG1 3.47Å; A224-V233 HydrophobicContact CB-CG1 4.08Å; A224-F235 HydrophobicContact CB-CD1 4.42Å; A224-F235 HydrophobicContact CB-CE1 3.82Å; A224-F235 HydrophobicContact CB-CZ 4.33Å; A224-R243 PolarHBondContact O-NH1 3Å; A224-W320 HydrophobicContact CB-CH2 4.17Å; A224-W320 HydrophobicContact CB-CZ3 4.38Å
225	W	92	Very high	81.6	Confident	29 Å²	29	68.9 Å²	68.9	11%	0.11	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-136.3	18.7	175.7	58.1	80.8	0	0	0	113.4	E222 S223 F319 K323 W327	E222-W225 VanDerWaalsContact CA-CZ2 3.47Å; E222-W225 HydrophobicContact CB-CH2 4.3Å; E222-W225 HydrophobicContact CB-CZ2 3.81Å; E222-W225 HydrophobicContact CG-CH2 4.22Å; E222-W225 HydrophobicContact CG-CZ2 3.84Å; E222-W225 PolarHBondContact O-N 3.04Å; S223-W225 PolarHBondContact O-N 3.33Å; S223-W225 VanDerWaalsContact O-N 3.09Å; W225-F319 HydrophobicContact CZ3-CZ 4.22Å; W225-K323 HydrophobicContact CB-CB 3.95Å; W225-K323 HydrophobicContact CD2-CB 4.15Å; W225-K323 HydrophobicContact CD2-CD 3.54Å; W225-K323 HydrophobicContact CD2-CG 3.92Å; W225-K323 HydrophobicContact CE3-CB 4.11Å; W225-K323 HydrophobicContact CE3-CD 3.67Å; W225-K323 HydrophobicContact CE3-CG 3.66Å; W225-K323 HydrophobicContact CG-CB 4.09Å; W225-K323 HydrophobicContact CG-CD 4.06Å; W225-K323 HydrophobicContact CG-CG 4.36Å; W225-K323 HydrophobicContact CH2-CD 4.15Å; W225-K323 VanDerWaalsContact CH2-CE 3.46Å; W225-K323 VanDerWaalsContact CH2-NZ 3.32Å; W225-K323 HydrophobicContact CZ2-CD 4.02Å; W225-K323 HydrophobicContact CZ3-CD 3.98Å; W225-K323 HydrophobicContact CZ3-CG 4.13Å; W225-W327 HydrophobicContact CB-CB 4.17Å; W225-W327 WeakPolarHBondContact O-CA 3.5Å; W225-W327 VanDerWaalsContact O-CB 3.31Å; W225-W327 WeakPolarHBondContact O-CB 3.49Å
226	K	92.9	Very high	83.2	Confident	41 Å²	41	63.1 Å²	63.1	18%	0.178	34%	0.339	C	S	.	.	S	Bend	trans	-92.7	136	173.4	-69.5	-173	-179.3	-169.4	0	110.8	S223 L229 A230 D369	S223-K226 PolarHBondContact O-N 3.33Å; K226-L229 HydrophobicContact CB-CB 4.29Å; K226-L229 HydrophobicContact CB-CD1 4.13Å; K226-L229 HydrophobicContact CD-CD1 4.42Å; K226-L229 PolarHBondContact O-N 3.49Å; K226-A230 VanDerWaalsContact O-CB 3.25Å; K226-A230 WeakPolarHBondContact O-CB 3.36Å; K226-A230 PolarHBondContact O-N 3.41Å; K226-D369 VanDerWaalsContact NZ-CG 3.28Å; K226-D369 IonicContact NZ-OD1 3.61Å; K226-D369 PolarHBondContact NZ-OD1 3.41Å; K226-D369 VanDerWaalsContact NZ-OD1 3.08Å; K226-D369 IonicContact NZ-OD2 3.68Å; K226-D369 PolarHBondContact NZ-OD2 3.28Å
227	P	92.7	Very high	84.9	Confident	20 Å²	20	57.2 Å²	57.2	13%	0.13	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	146	175.5	-28.7	36.6	0	0	0	112.9	L229 E278 A330 W331	P227-L229 PolarHBondContact O-N 3.09Å; P227-E278 WeakPolarHBondContact CA-OE2 3.41Å; P227-A330 HydrophobicContact CG-CB 3.52Å; P227-W331 HydrophobicContact CB-CD2 3.99Å; P227-W331 HydrophobicContact CB-CG 4.31Å; P227-W331 HydrophobicContact CB-CH2 4.47Å; P227-W331 HydrophobicContact CB-CZ2 3.95Å; P227-W331 HydrophobicContact CG-CD2 4.33Å; P227-W331 HydrophobicContact CG-CG 4.15Å
228	R	90.7	Very high	86.6	Confident	96 Å²	96	57 Å²	57	36%	0.362	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	-24.7	-175.8	-62.5	-175.6	161.1	-161.2	-4.8	115.6	E278 W331 R334 E361	R228-E278 VanDerWaalsContact CA-OE1 3.28Å; R228-E278 WeakPolarHBondContact CA-OE1 3.42Å; R228-E278 PolarHBondContact N-OE1 3.3Å; R228-E278 PolarHBondContact N-OE2 3.29Å; R228-W331 HydrophobicContact CG-CH2 4.37Å; R228-R334 VanDerWaalsContact NE-NH2 3.11Å; R228-E361 IonicContact CZ-OE1 2.69Å; R228-E361 IonicContact NH1-OE1 2.64Å; R228-E361 PolarHBondContact NH1-OE1 2.87Å; R228-E361 IonicContact NH2-OE1 3.11Å
229	L	92.4	Very high	88.3	Confident	63 Å²	63	55.1 Å²	55.1	33%	0.33	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-33.7	-179.1	-59.1	178.2	0	0	0	112.3	K226 P227 A231 K232 V233 E278	K226-L229 HydrophobicContact CB-CB 4.29Å; K226-L229 HydrophobicContact CB-CD1 4.13Å; K226-L229 HydrophobicContact CD-CD1 4.42Å; K226-L229 PolarHBondContact O-N 3.49Å; P227-L229 PolarHBondContact O-N 3.09Å; L229-A231 VanDerWaalsContact C-N 3.26Å; L229-A231 PolarHBondContact O-N 2.92Å; L229-K232 PolarHBondContact O-N 3.5Å; L229-V233 PolarHBondContact O-N 2.85Å; L229-V233 VanDerWaalsContact O-N 3.14Å; L229-E278 PolarHBondContact N-OE1 3.03Å
230	A	92.2	Very high	89.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.2	-172.4	0	0	0	0	0	112.6	S223 K226 V233 R243 E278 I282	S223-A230 WeakPolarHBondContact O-CA 3.3Å; S223-A230 PolarHBondContact O-N 2.96Å; K226-A230 VanDerWaalsContact O-CB 3.25Å; K226-A230 WeakPolarHBondContact O-CB 3.36Å; K226-A230 PolarHBondContact O-N 3.41Å; A230-V233 VanDerWaalsContact O-CG1 3.31Å; A230-V233 WeakPolarHBondContact O-CG1 3.25Å; A230-R243 PolarHBondContact O-NH1 2.85Å; A230-R243 PolarHBondContact O-NH2 3.34Å; A230-E278 PolarHBondContact N-OE1 3.37Å; A230-I282 HydrophobicContact CB-CD1 3.7Å
231	A	89.7	Confident	89.9	Confident	12 Å²	12	48.7 Å²	48.7	10%	0.099	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-33	174.9	0	0	0	0	0	113.5	L208 L229 E278 I282	L208-A231 HydrophobicContact CD2-CB 3.85Å; L208-A231 WeakPolarHBondContact CD2-O 3.14Å; L229-A231 VanDerWaalsContact C-N 3.26Å; L229-A231 PolarHBondContact O-N 2.92Å; A231-E278 HydrophobicContact CB-CG 3.84Å; A231-E278 PolarHBondContact N-OE1 3.32Å; A231-I282 HydrophobicContact CB-CG1 3.93Å
232	K	90.8	Very high	90.2	Very high	153 Å²	153	46.5 Å²	46.5	67%	0.665	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.2	-171.2	-61.4	-179	-179.8	-178.1	0	114	L229	L229-K232 PolarHBondContact O-N 3.5Å
233	V	90	Very high	90.6	Very high	23 Å²	23	40.9 Å²	40.9	14%	0.139	21%	0.208	C	C	.	.			trans	-87.4	128	-177.4	65.9	0	0	0	0	111.8	P221 A224 L229 A230 F235	P221-V233 HydrophobicContact CG-CG2 3.47Å; P221-V233 VanDerWaalsContact CG-CG2 3.47Å; A224-V233 VanDerWaalsContact CA-CG1 3.47Å; A224-V233 HydrophobicContact CB-CG1 4.08Å; L229-V233 PolarHBondContact O-N 2.85Å; L229-V233 VanDerWaalsContact O-N 3.14Å; A230-V233 VanDerWaalsContact O-CG1 3.31Å; A230-V233 WeakPolarHBondContact O-CG1 3.25Å; V233-F235 HydrophobicContact CG1-CD1 4.39Å; V233-F235 HydrophobicContact CG1-CE1 4.05Å; V233-F235 HydrophobicContact CG2-CD1 4.36Å
234	S	88.1	Confident	90.8	Very high	45 Å²	45	39.5 Å²	39.5	32%	0.315	20%	0.197	S	C	.	.			trans	-99.6	145.5	173.4	54.2	0	0	0	0	111.1	Q210	Q210-S234 WeakPolarHBondContact O-CB 3.46Å
235	F	88.6	Confident	90.9	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.057	20%	0.199	C	C	.	.			trans	-159.1	-166.3	172.9	46	-89.3	0	0	0	108.1	T212 A224 V233 Q239 M240 W320	T212-F235 PolarHBondContact N-O 3.47Å; A224-F235 HydrophobicContact CB-CD1 4.42Å; A224-F235 HydrophobicContact CB-CE1 3.82Å; A224-F235 HydrophobicContact CB-CZ 4.33Å; V233-F235 HydrophobicContact CG1-CD1 4.39Å; V233-F235 HydrophobicContact CG1-CE1 4.05Å; V233-F235 HydrophobicContact CG2-CD1 4.36Å; F235-Q239 HydrophobicContact CD2-CB 3.49Å; F235-Q239 VanDerWaalsContact CD2-CB 3.49Å; F235-Q239 VanDerWaalsContact CE2-C 3.45Å; F235-Q239 HydrophobicContact CE2-CB 3.55Å; F235-M240 HydrophobicContact CD1-CG 4.28Å; F235-M240 HydrophobicContact CD2-CG 3.61Å; F235-M240 HydrophobicContact CE1-CG 4.2Å; F235-M240 HydrophobicContact CE2-CB 4.23Å; F235-M240 HydrophobicContact CE2-CG 3.55Å; F235-M240 HydrophobicContact CG-CG 3.99Å; F235-M240 HydrophobicContact CZ-CG 3.86Å; F235-W320 HydrophobicContact CE1-CH2 4.44Å; F235-W320 AromaticContact CE2-CH2 3.77Å; F235-W320 HydrophobicContact CE2-CH2 3.77Å; F235-W320 AromaticContact CE2-CZ2 3.7Å; F235-W320 HydrophobicContact CE2-CZ2 3.7Å; F235-W320 AromaticContact CZ-CH2 3.53Å; F235-W320 HydrophobicContact CZ-CH2 3.53Å; F235-W320 AromaticContact CZ-CZ2 3.96Å; F235-W320 HydrophobicContact CZ-CZ2 3.96Å; F235-W320 HydrophobicContact CZ-CZ3 4.48Å
236	S	88.9	Confident	91.1	Very high	42 Å²	42	38.8 Å²	38.8	29%	0.294	19%	0.194	S	C	.	.			trans	-56.2	141.9	-171.6	73.6	0	0	0	0	113.5	Q238 Q239 M240	S236-Q238 VanDerWaalsContact C-N 3.26Å; S236-Q238 PolarHBondContact O-N 3.37Å; S236-Q239 PolarHBondContact O-N 2.69Å; S236-Q239 VanDerWaalsContact O-N 3.07Å; S236-Q239 WeakPolarHBondContact OG-CB 3.46Å; S236-Q239 VanDerWaalsContact OG-CG 3.22Å; S236-Q239 WeakPolarHBondContact OG-CG 3.32Å; S236-M240 PolarHBondContact O-N 2.98Å
237	P	88	Confident	91.2	Very high	39 Å²	39	36.8 Å²	36.8	25%	0.253	19%	0.186	S	C	.	.	H	α-helix	trans	-54.5	-41.1	-176.6	-22.9	26.6	0	0	0	113.2	F201 P211 Q239 M240 L241	F201-P237 HydrophobicContact CE2-CB 4.39Å; P211-P237 HydrophobicContact CB-CB 4.13Å; P211-P237 HydrophobicContact CB-CG 3.65Å; P211-P237 HydrophobicContact CG-CB 4.37Å; P211-P237 HydrophobicContact CG-CG 4.32Å; P237-Q239 PolarHBondContact O-N 2.93Å; P237-M240 PolarHBondContact O-N 3.44Å; P237-L241 WeakPolarHBondContact O-CB 3.34Å; P237-L241 WeakPolarHBondContact O-CG 3.49Å; P237-L241 PolarHBondContact O-N 3.39Å
238	Q	87.6	Confident	91.2	Very high	140 Å²	140	38.1 Å²	38.1	65%	0.654	19%	0.188	S	C	*	.	H	α-helix	trans	-62.7	-42.9	180	-65.4	178.7	-0.4	0	0	112	S236 A242	S236-Q238 VanDerWaalsContact C-N 3.26Å; S236-Q238 PolarHBondContact O-N 3.37Å; Q238-A242 WeakPolarHBondContact O-CB 3.41Å; Q238-A242 PolarHBondContact O-N 3.26Å
239	Q	90.4	Very high	91.3	Very high	56 Å²	56	33.8 Å²	33.8	26%	0.262	17%	0.173	S	C	.	.	H	α-helix	trans	-71.6	-38.6	178.6	-72.6	-67.2	-15.9	0	0	111.2	F235 S236 P237 L241 A242 R243 W320	F235-Q239 HydrophobicContact CD2-CB 3.49Å; F235-Q239 VanDerWaalsContact CD2-CB 3.49Å; F235-Q239 VanDerWaalsContact CE2-C 3.45Å; F235-Q239 HydrophobicContact CE2-CB 3.55Å; S236-Q239 PolarHBondContact O-N 2.69Å; S236-Q239 VanDerWaalsContact O-N 3.07Å; S236-Q239 WeakPolarHBondContact OG-CB 3.46Å; S236-Q239 VanDerWaalsContact OG-CG 3.22Å; S236-Q239 WeakPolarHBondContact OG-CG 3.32Å; P237-Q239 PolarHBondContact O-N 2.93Å; Q239-L241 VanDerWaalsContact C-N 3.35Å; Q239-A242 PolarHBondContact O-N 3.44Å; Q239-R243 WeakPolarHBondContact O-CB 3.22Å; Q239-R243 PolarHBondContact O-N 3.01Å; Q239-W320 HydrophobicContact CB-CZ2 4.3Å
240	M	91.2	Very high	91.3	Very high	8 Å²	8	31 Å²	31	4%	0.039	16%	0.158	C	C	.	.	H	α-helix	trans	-63.2	-42	176.1	-69.2	-175.3	66.9	0	0	111.3	W207 V209 P211 F235 S236 P237 R243 R244	W207-M240 HydrophobicContact CE3-CE 3.65Å; W207-M240 HydrophobicContact CH2-CB 3.75Å; W207-M240 HydrophobicContact CZ3-CB 3.54Å; W207-M240 HydrophobicContact CZ3-CE 3.83Å; W207-M240 HydrophobicContact CZ3-SD 4.49Å; V209-M240 WeakPolarHBondContact O-CE 3.29Å; P211-M240 HydrophobicContact CB-SD 4Å; P211-M240 HydrophobicContact CG-SD 4.11Å; F235-M240 HydrophobicContact CD1-CG 4.28Å; F235-M240 HydrophobicContact CD2-CG 3.61Å; F235-M240 HydrophobicContact CE1-CG 4.2Å; F235-M240 HydrophobicContact CE2-CB 4.23Å; F235-M240 HydrophobicContact CE2-CG 3.55Å; F235-M240 HydrophobicContact CG-CG 3.99Å; F235-M240 HydrophobicContact CZ-CG 3.86Å; S236-M240 PolarHBondContact O-N 2.98Å; P237-M240 PolarHBondContact O-N 3.44Å; M240-R243 PolarHBondContact O-N 2.88Å; M240-R244 WeakPolarHBondContact O-CB 3.26Å; M240-R244 PolarHBondContact O-N 3.37Å
241	L	90.4	Very high	90.7	Very high	25 Å²	25	32.6 Å²	32.6	13%	0.131	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-44.6	172	-74.9	177.5	0	0	0	112	E205 W207 P237 Q239 R243 R244 H245 F312	E205-L241 HydrophobicContact CG-CD2 4.13Å; W207-L241 HydrophobicContact CH2-CD2 3.63Å; W207-L241 HydrophobicContact CH2-CG 3.75Å; W207-L241 HydrophobicContact CZ2-CD2 3.93Å; W207-L241 HydrophobicContact CZ2-CG 4.1Å; P237-L241 WeakPolarHBondContact O-CB 3.34Å; P237-L241 WeakPolarHBondContact O-CG 3.49Å; P237-L241 PolarHBondContact O-N 3.39Å; Q239-L241 VanDerWaalsContact C-N 3.35Å; L241-R243 PolarHBondContact O-N 2.98Å; L241-R244 WeakPolarHBondContact O-CB 3.48Å; L241-R244 PolarHBondContact O-N 3.23Å; L241-H245 PolarHBondContact O-CD2 2.8Å; L241-H245 VanDerWaalsContact O-CD2 3.3Å; L241-H245 PolarHBondContact O-N 2.88Å; L241-F312 HydrophobicContact CB-CE1 4.48Å
242	A	92.6	Very high	90.1	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-57.5	-50.5	176.5	0	0	0	0	0	110.8	Q238 Q239 R244 H245 I246 F312	Q238-A242 WeakPolarHBondContact O-CB 3.41Å; Q238-A242 PolarHBondContact O-N 3.26Å; Q239-A242 PolarHBondContact O-N 3.44Å; A242-R244 PolarHBondContact O-N 3.46Å; A242-H245 PolarHBondContact O-N 2.94Å; A242-I246 HydrophobicContact CB-CD1 4.11Å; A242-I246 WeakPolarHBondContact O-CB 3.26Å; A242-I246 VanDerWaalsContact O-CD1 3.32Å; A242-I246 WeakPolarHBondContact O-CD1 3.49Å; A242-I246 WeakPolarHBondContact O-CG1 3.45Å; A242-I246 PolarHBondContact O-N 3.35Å; A242-F312 VanDerWaalsContact CA-CE1 3.43Å; A242-F312 HydrophobicContact CB-CD1 3.81Å; A242-F312 HydrophobicContact CB-CE1 3.86Å
243	R	94.4	Very high	89.6	Confident	7 Å²	7	36.8 Å²	36.8	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-53.1	-53.6	174.6	-178.2	178.5	66.3	170.9	1	111.1	A224 A230 Q239 M240 L241 H245 I246 W247 I282 W320	A224-R243 PolarHBondContact O-NH1 3Å; A230-R243 PolarHBondContact O-NH1 2.85Å; A230-R243 PolarHBondContact O-NH2 3.34Å; Q239-R243 WeakPolarHBondContact O-CB 3.22Å; Q239-R243 PolarHBondContact O-N 3.01Å; M240-R243 PolarHBondContact O-N 2.88Å; L241-R243 PolarHBondContact O-N 2.98Å; R243-H245 PolarHBondContact O-N 3.11Å; R243-I246 PolarHBondContact O-N 3.45Å; R243-W247 HydrophobicContact CG-CD2 4.07Å; R243-W247 HydrophobicContact CG-CG 4.22Å; R243-W247 HydrophobicContact CG-CZ2 4.32Å; R243-W247 WeakPolarHBondContact O-CB 3.37Å; R243-W247 VanDerWaalsContact O-CG 3.23Å; R243-W247 PolarHBondContact O-N 2.91Å; R243-I282 HydrophobicContact CG-CG2 4.17Å; R243-W320 HydrophobicContact CB-CD2 3.76Å; R243-W320 HydrophobicContact CB-CE3 3.75Å; R243-W320 HydrophobicContact CB-CG 4.44Å; R243-W320 HydrophobicContact CB-CH2 4.04Å; R243-W320 HydrophobicContact CB-CZ2 4.04Å; R243-W320 HydrophobicContact CB-CZ3 3.9Å; R243-W320 HydrophobicContact CG-CD2 4.18Å; R243-W320 HydrophobicContact CG-CE3 3.65Å; R243-W320 HydrophobicContact CG-CH2 4.26Å; R243-W320 HydrophobicContact CG-CZ3 3.71Å
244	R	92.8	Very high	89.4	Confident	15 Å²	15	37.9 Å²	37.9	6%	0.057	19%	0.188	C	C	.	.	H	α-helix	trans	-51.9	-54.2	-179.9	174.2	173.4	-157.2	164.2	14.5	111.8	E205 Q206 M240 L241 A242 R248 I283 L284	E205-R244 IonicContact OE2-CZ 3.34Å; E205-R244 IonicContact OE2-NH1 3.3Å; E205-R244 PolarHBondContact OE2-NH1 2.9Å; Q206-R244 PolarHBondContact O-NH1 3.2Å; Q206-R244 VanDerWaalsContact O-NH1 3.13Å; M240-R244 WeakPolarHBondContact O-CB 3.26Å; M240-R244 PolarHBondContact O-N 3.37Å; L241-R244 WeakPolarHBondContact O-CB 3.48Å; L241-R244 PolarHBondContact O-N 3.23Å; A242-R244 PolarHBondContact O-N 3.46Å; R244-R248 VanDerWaalsContact O-CG 3.25Å; R244-R248 WeakPolarHBondContact O-CG 3.33Å; R244-R248 PolarHBondContact O-N 2.95Å; R244-I283 WeakPolarHBondContact CG-O 3.44Å; R244-I283 PolarHBondContact NE-O 3.01Å; R244-I283 PolarHBondContact NH2-O 3.06Å; R244-L284 VanDerWaalsContact NH2-CA 3.27Å; R244-L284 PolarHBondContact NH2-O 3.23Å
245	H	92.9	Very high	89.5	Confident	13 Å²	13	43.8 Å²	43.8	6%	0.06	21%	0.208	C	C	.	.	H	α-helix	trans	-74.5	-38.8	-175.2	-78.6	-90.9	0	0	0	113.2	T108 L241 A242 R243 R248 C249 F312	T108-H245 HydrophobicContact CG2-CB 4.28Å; T108-H245 PolarHBondContact OG1-ND1 3.41Å; T108-H245 VanDerWaalsContact OG1-ND1 3.11Å; L241-H245 PolarHBondContact O-CD2 2.8Å; L241-H245 VanDerWaalsContact O-CD2 3.3Å; L241-H245 PolarHBondContact O-N 2.88Å; A242-H245 PolarHBondContact O-N 2.94Å; R243-H245 PolarHBondContact O-N 3.11Å; H245-R248 WeakPolarHBondContact O-CB 3.47Å; H245-R248 PolarHBondContact O-N 3.31Å; H245-C249 PolarHBondContact O-N 2.93Å; H245-C249 PolarHBondContact O-SG 2.95Å; H245-F312 HydrophobicContact CB-CD2 4.33Å; H245-F312 HydrophobicContact CB-CE2 3.37Å; H245-F312 HydrophobicContact CB-CZ 3.7Å; H245-F312 AromaticContact CD2-CZ 3.96Å; H245-F312 AromaticContact CG-CE2 3.79Å; H245-F312 AromaticContact CG-CZ 3.9Å
246	I	95.4	Very high	89.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-38.3	179.4	-69.1	161.9	0	0	0	111	L106 A242 R243 R248 C249 C250 D316 W317 W320 K321	L106-I246 HydrophobicContact CD2-CD1 4.45Å; L106-I246 HydrophobicContact CD2-CG1 3.59Å; A242-I246 HydrophobicContact CB-CD1 4.11Å; A242-I246 WeakPolarHBondContact O-CB 3.26Å; A242-I246 VanDerWaalsContact O-CD1 3.32Å; A242-I246 WeakPolarHBondContact O-CD1 3.49Å; A242-I246 WeakPolarHBondContact O-CG1 3.45Å; A242-I246 PolarHBondContact O-N 3.35Å; R243-I246 PolarHBondContact O-N 3.45Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 3.1Å; I246-C249 WeakPolarHBondContact O-CB 3.37Å; I246-C249 PolarHBondContact O-N 2.65Å; I246-C249 VanDerWaalsContact O-N 3.09Å; I246-C250 PolarHBondContact O-N 2.87Å; I246-C250 VanDerWaalsContact O-N 3.16Å; I246-C250 PolarHBondContact O-SG 3.34Å; I246-D316 HydrophobicContact CD1-CB 4.19Å; I246-D316 WeakPolarHBondContact CD1-O 3.32Å; I246-W317 HydrophobicContact CB-CE3 4.4Å; I246-W317 HydrophobicContact CG1-CE3 4.33Å; I246-W317 HydrophobicContact CG2-CE3 3.59Å; I246-W317 HydrophobicContact CG2-CZ3 3.9Å; I246-W320 HydrophobicContact CB-CB 3.92Å; I246-W320 HydrophobicContact CD1-CB 3.83Å; I246-W320 HydrophobicContact CD1-CG 4.14Å; I246-W320 HydrophobicContact CG1-CB 4.49Å; I246-W320 HydrophobicContact CG2-CB 3.57Å; I246-K321 HydrophobicContact CG2-CB 4.49Å
247	W	95.5	Very high	89.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-36.1	175.8	-75.1	28.5	0	0	0	111.6	R243 C249 C250 Y279 I282 I283 W320 F324 W327	R243-W247 HydrophobicContact CG-CD2 4.07Å; R243-W247 HydrophobicContact CG-CG 4.22Å; R243-W247 HydrophobicContact CG-CZ2 4.32Å; R243-W247 WeakPolarHBondContact O-CB 3.37Å; R243-W247 VanDerWaalsContact O-CG 3.23Å; R243-W247 PolarHBondContact O-N 2.91Å; W247-C249 PolarHBondContact O-N 3.22Å; W247-C250 PolarHBondContact O-N 3.22Å; W247-Y279 HydrophobicContact CB-CE2 4.33Å; W247-Y279 HydrophobicContact CE3-CD2 4.44Å; W247-I282 HydrophobicContact CD2-CG2 4.44Å; W247-I282 HydrophobicContact CE3-CB 4.46Å; W247-I282 HydrophobicContact CE3-CD1 4.12Å; W247-I282 HydrophobicContact CE3-CG2 3.88Å; W247-I282 HydrophobicContact CH2-CD1 3.9Å; W247-I282 HydrophobicContact CZ3-CD1 3.34Å; W247-I282 HydrophobicContact CZ3-CG1 4.48Å; W247-I282 HydrophobicContact CZ3-CG2 4.17Å; W247-I283 HydrophobicContact CB-CG2 3.91Å; W247-W320 AromaticContact NE1-CE3 3.93Å; W247-W320 PolarHBondContact NE1-O 2.82Å; W247-F324 HydrophobicContact CB-CD2 4.01Å; W247-F324 HydrophobicContact CB-CE2 4.37Å; W247-F324 HydrophobicContact CD2-CB 4.32Å; W247-F324 AromaticContact CD2-CD2 3.55Å; W247-F324 HydrophobicContact CD2-CD2 3.55Å; W247-F324 HydrophobicContact CD2-CE2 4.39Å; W247-F324 HydrophobicContact CD2-CG 4.42Å; W247-F324 AromaticContact CE2-CD2 3.97Å; W247-F324 AromaticContact CE3-CD2 3.8Å; W247-F324 HydrophobicContact CE3-CD2 3.8Å; W247-F324 HydrophobicContact CE3-CE2 4.32Å; W247-F324 HydrophobicContact CG-CB 4.29Å; W247-F324 AromaticContact CG-CD2 3.64Å; W247-F324 HydrophobicContact CG-CD2 3.64Å; W247-F324 HydrophobicContact CG-CE2 4.42Å; W247-F324 HydrophobicContact CG-CG 4.37Å; W247-F324 HydrophobicContact CZ2-CB 4.46Å; W247-F324 HydrophobicContact CZ3-CD2 4.4Å; W247-W327 HydrophobicContact CE3-CE3 4.37Å; W247-W327 HydrophobicContact CH2-CB 3.87Å; W247-W327 AromaticContact CH2-CD1 3.92Å; W247-W327 AromaticContact CH2-CD2 3.54Å; W247-W327 HydrophobicContact CH2-CD2 3.54Å; W247-W327 AromaticContact CH2-CE3 3.96Å; W247-W327 HydrophobicContact CH2-CE3 3.96Å; W247-W327 AromaticContact CH2-CG 3.48Å; W247-W327 HydrophobicContact CH2-CG 3.48Å; W247-W327 VanDerWaalsContact CH2-CG 3.48Å; W247-W327 HydrophobicContact CZ2-CB 4.28Å; W247-W327 HydrophobicContact CZ2-CG 4.35Å; W247-W327 AromaticContact CZ3-CD2 3.54Å; W247-W327 HydrophobicContact CZ3-CD2 3.54Å; W247-W327 AromaticContact CZ3-CE2 3.8Å; W247-W327 AromaticContact CZ3-CE3 3.68Å; W247-W327 HydrophobicContact CZ3-CE3 3.68Å; W247-W327 HydrophobicContact CZ3-CG 4.02Å; W247-W327 HydrophobicContact CZ3-CH2 4.41Å; W247-W327 HydrophobicContact CZ3-CZ2 4.24Å; W247-W327 HydrophobicContact CZ3-CZ3 4.13Å
248	R	92.5	Very high	90	Very high	47 Å²	47	48.9 Å²	48.9	18%	0.177	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-29.4	170.6	-72.6	168.3	173.5	-174.2	-2.5	113.2	R244 H245 I246 Y279 I283	R244-R248 VanDerWaalsContact O-CG 3.25Å; R244-R248 WeakPolarHBondContact O-CG 3.33Å; R244-R248 PolarHBondContact O-N 2.95Å; H245-R248 WeakPolarHBondContact O-CB 3.47Å; H245-R248 PolarHBondContact O-N 3.31Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 3.1Å; R248-Y279 WeakPolarHBondContact CA-OH 3.36Å; R248-I283 HydrophobicContact CG-CB 3.94Å; R248-I283 HydrophobicContact CG-CD1 3.86Å; R248-I283 HydrophobicContact CG-CG2 4.08Å; R248-I283 VanDerWaalsContact CZ-O 3.29Å; R248-I283 PolarHBondContact NE-O 3.1Å; R248-I283 PolarHBondContact NH2-O 3.41Å
249	C	92.2	Very high	90.2	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-78.9	-25.4	175.8	-63.7	0	0	0	0	112.3	T108 R178 F180 H245 I246 W247 W317	T108-C249 WeakPolarHBondContact CG2-SG 3.42Å; R178-C249 VanDerWaalsContact CZ-O 3.29Å; R178-C249 PolarHBondContact NH2-O 3.3Å; F180-C249 HydrophobicContact CB-CB 4.43Å; F180-C249 WeakPolarHBondContact CB-SG 3.47Å; F180-C249 HydrophobicContact CD1-CB 3.54Å; F180-C249 HydrophobicContact CD2-CB 4.29Å; F180-C249 HydrophobicContact CE1-CB 3.7Å; F180-C249 WeakPolarHBondContact CE1-O 3.34Å; F180-C249 HydrophobicContact CE2-CB 4.4Å; F180-C249 HydrophobicContact CG-CB 3.86Å; F180-C249 VanDerWaalsContact CG-SG 3.56Å; F180-C249 HydrophobicContact CZ-CB 4.14Å; H245-C249 PolarHBondContact O-N 2.93Å; H245-C249 PolarHBondContact O-SG 2.95Å; I246-C249 WeakPolarHBondContact O-CB 3.37Å; I246-C249 PolarHBondContact O-N 2.65Å; I246-C249 VanDerWaalsContact O-N 3.09Å; W247-C249 PolarHBondContact O-N 3.22Å; C249-W317 HydrophobicContact CB-CH2 4.26Å; C249-W317 HydrophobicContact CB-CZ3 3.66Å
250	C	92.1	Very high	90.4	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.034	20%	0.199	C	C	.	.	S	Bend	trans	-76.2	151.6	-179.1	-64.1	0	0	0	0	112	I246 W247 F324	I246-C250 PolarHBondContact O-N 2.87Å; I246-C250 VanDerWaalsContact O-N 3.16Å; I246-C250 PolarHBondContact O-SG 3.34Å; W247-C250 PolarHBondContact O-N 3.22Å; C250-F324 HydrophobicContact CB-CD1 3.33Å; C250-F324 HydrophobicContact CB-CD2 4.18Å; C250-F324 HydrophobicContact CB-CE1 3.28Å; C250-F324 HydrophobicContact CB-CE2 4.13Å; C250-F324 HydrophobicContact CB-CG 3.78Å; C250-F324 HydrophobicContact CB-CZ 3.67Å
251	S	79.8	Confident	90.5	Very high	32 Å²	32	42.8 Å²	42.8	22%	0.224	20%	0.204	C	C	.	.			trans	-86	131.8	-176.2	-179.3	0	0	0	0	110.5	R178 K253 Q328	R178-S251 VanDerWaalsContact NH2-N 3.11Å; S251-K253 PolarHBondContact OG-N 3.18Å; S251-Q328 PolarHBondContact O-NE2 3.2Å
252	R	77.9	Confident	90.7	Very high	80 Å²	80	47.7 Å²	47.7	30%	0.302	23%	0.225	S	C	.	.			trans	-87.7	-11.7	171.7	-63.1	-167.3	-65.1	106.2	0.4	114.2	N254 D276 Y279 Y280 F324	R252-N254 PolarHBondContact O-N 3.07Å; R252-D276 IonicContact CZ-OD1 3.7Å; R252-D276 IonicContact NH1-OD1 2.81Å; R252-D276 PolarHBondContact NH1-OD1 3.24Å; R252-D276 IonicContact NH1-OD2 3.77Å; R252-Y279 VanDerWaalsContact CD-CE1 3.49Å; R252-Y279 HydrophobicContact CG-CE2 4.27Å; R252-Y280 PolarHBondContact NH2-OH 2.87Å; R252-F324 HydrophobicContact CG-CZ 4.42Å
253	K	79.5	Confident	90.7	Very high	173 Å²	173	52 Å²	52	75%	0.752	24%	0.244	S	C	*	.			trans	-78.3	51.8	-176.4	-63.6	-173.9	178.2	-177.4	0	112.4	S251	S251-K253 PolarHBondContact OG-N 3.18Å
254	N	87.7	Confident	90.6	Very high	47 Å²	47	51.8 Å²	51.8	25%	0.251	24%	0.243	S	C	.	.			trans	-80.3	122.4	174.6	-176.2	-18.1	0	0	0	109.6	R252 Q256 L257 I258	R252-N254 PolarHBondContact O-N 3.07Å; N254-Q256 PolarHBondContact O-N 3.29Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.46Å; N254-Q256 PolarHBondContact OD1-N 3.49Å; N254-L257 HydrophobicContact CB-CB 3.91Å; N254-L257 PolarHBondContact O-N 3.17Å; N254-I258 WeakPolarHBondContact O-CG1 3.45Å; N254-I258 PolarHBondContact O-N 2.98Å
255	K	89.3	Confident	90.6	Very high	168 Å²	168	56.3 Å²	56.3	73%	0.73	26%	0.26	S	S	*	.	H	α-helix	trans	-59	-35.5	-179.8	-68.4	-176.7	178.6	-179.4	0	112.7	A259	K255-A259 VanDerWaalsContact O-CB 3.31Å; K255-A259 WeakPolarHBondContact O-CB 3.1Å; K255-A259 PolarHBondContact O-N 3.06Å
256	Q	92.7	Very high	90.5	Very high	126 Å²	126	61.9 Å²	61.9	59%	0.589	29%	0.286	S	S	*	.	H	α-helix	trans	-70.9	-41.5	178.8	-66.4	175.2	-12.5	0	0	111.5	N254 A259 A260 I332	N254-Q256 PolarHBondContact O-N 3.29Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.46Å; N254-Q256 PolarHBondContact OD1-N 3.49Å; Q256-A259 PolarHBondContact O-N 3.15Å; Q256-A260 WeakPolarHBondContact O-CB 3.49Å; Q256-A260 PolarHBondContact O-N 3.3Å; Q256-I332 HydrophobicContact CB-CD1 3.73Å
257	L	91.4	Very high	90.3	Very high	5 Å²	5	63 Å²	63	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-45.7	175	-170.5	77.3	0	0	0	111.5	N254 A260 F261 C275 W331 I332 M335	N254-L257 HydrophobicContact CB-CB 3.91Å; N254-L257 PolarHBondContact O-N 3.17Å; L257-A260 PolarHBondContact O-N 2.96Å; L257-F261 PolarHBondContact O-N 3.1Å; L257-C275 HydrophobicContact CD1-CB 4.13Å; L257-W331 HydrophobicContact CD1-CB 4.28Å; L257-I332 HydrophobicContact CB-CD1 4.21Å; L257-I332 HydrophobicContact CB-CG1 4.1Å; L257-I332 HydrophobicContact CD1-CD1 4.49Å; L257-I332 HydrophobicContact CD1-CG1 3.77Å; L257-M335 HydrophobicContact CD1-CE 3.38Å; L257-M335 HydrophobicContact CG-CE 4.13Å
258	I	91	Very high	90	Very high	71 Å²	71	65.4 Å²	65.4	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-44.2	177	-64.7	164.5	0	0	0	110.8	N254 K262	N254-I258 WeakPolarHBondContact O-CG1 3.45Å; N254-I258 PolarHBondContact O-N 2.98Å; I258-K262 WeakPolarHBondContact O-CB 3.45Å; I258-K262 PolarHBondContact O-N 3.46Å
259	A	93	Very high	89.9	Confident	41 Å²	41	65.6 Å²	65.6	34%	0.339	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-44.5	178.5	0	0	0	0	0	112.2	K255 Q256 K262 H263	K255-A259 VanDerWaalsContact O-CB 3.31Å; K255-A259 WeakPolarHBondContact O-CB 3.1Å; K255-A259 PolarHBondContact O-N 3.06Å; Q256-A259 PolarHBondContact O-N 3.15Å; A259-K262 WeakPolarHBondContact O-CB 3.36Å; A259-K262 PolarHBondContact O-N 2.95Å; A259-H263 PolarHBondContact O-N 3.33Å
260	A	93.8	Very high	89.7	Confident	2 Å²	2	71.3 Å²	71.3	2%	0.017	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-46.9	177.4	0	0	0	0	0	111.4	Q256 L257 K262 H263 L264 I332 M335 N336	Q256-A260 WeakPolarHBondContact O-CB 3.49Å; Q256-A260 PolarHBondContact O-N 3.3Å; L257-A260 PolarHBondContact O-N 2.96Å; A260-K262 VanDerWaalsContact C-N 3.32Å; A260-K262 PolarHBondContact O-N 3.42Å; A260-H263 PolarHBondContact O-N 3.09Å; A260-L264 WeakPolarHBondContact O-CB 3.33Å; A260-L264 PolarHBondContact O-N 2.74Å; A260-I332 HydrophobicContact CB-CG2 4.23Å; A260-M335 HydrophobicContact CB-CB 4.12Å; A260-M335 HydrophobicContact CB-CE 3.95Å; A260-N336 WeakPolarHBondContact CB-OD1 3.23Å
261	F	94.3	Very high	89.5	Confident	32 Å²	32	73.2 Å²	73.2	14%	0.14	37%	0.369	C	S	.	.	H	α-helix	trans	-64.7	-36.1	175.9	-176.7	-120.1	0	0	0	112.5	L257 L264 R265 Y269 N273 M335	L257-F261 PolarHBondContact O-N 3.1Å; F261-L264 HydrophobicContact CD2-CD2 4.44Å; F261-L264 PolarHBondContact O-N 2.97Å; F261-R265 HydrophobicContact CD1-CG 4.42Å; F261-R265 HydrophobicContact CE1-CG 4Å; F261-R265 HydrophobicContact CE2-CG 4.12Å; F261-R265 HydrophobicContact CZ-CG 3.84Å; F261-R265 WeakPolarHBondContact O-CG 3.49Å; F261-R265 PolarHBondContact O-N 3.4Å; F261-Y269 HydrophobicContact CE2-CD1 4.16Å; F261-Y269 HydrophobicContact CE2-CE1 4.13Å; F261-N273 HydrophobicContact CD1-CB 4.11Å; F261-N273 HydrophobicContact CD2-CB 4.06Å; F261-N273 HydrophobicContact CE1-CB 3.87Å; F261-N273 VanDerWaalsContact CE2-CA 3.44Å; F261-N273 HydrophobicContact CE2-CB 3.85Å; F261-N273 HydrophobicContact CG-CB 4.2Å; F261-N273 HydrophobicContact CZ-CB 3.74Å; F261-M335 HydrophobicContact CB-SD 3.91Å; F261-M335 HydrophobicContact CD2-SD 4.21Å
262	K	93.5	Very high	89.9	Confident	129 Å²	129	75 Å²	75	56%	0.561	38%	0.382	S	S	*	.	H	α-helix	trans	-63.1	-43.8	174.8	-176.2	178.2	178.3	178.7	0	111.9	I258 A259 A260 L264 R265 Q266	I258-K262 WeakPolarHBondContact O-CB 3.45Å; I258-K262 PolarHBondContact O-N 3.46Å; A259-K262 WeakPolarHBondContact O-CB 3.36Å; A259-K262 PolarHBondContact O-N 2.95Å; A260-K262 VanDerWaalsContact C-N 3.32Å; A260-K262 PolarHBondContact O-N 3.42Å; K262-L264 VanDerWaalsContact C-N 3.33Å; K262-R265 PolarHBondContact O-N 3.27Å; K262-Q266 VanDerWaalsContact O-CG 3.29Å; K262-Q266 WeakPolarHBondContact O-CG 3.34Å; K262-Q266 PolarHBondContact O-N 3.14Å
263	H	93	Very high	90.6	Very high	93 Å²	93	72.1 Å²	72.1	43%	0.431	37%	0.373	S	S	.	.	H	α-helix	trans	-63.9	-41.2	175.3	-64.5	166.5	0	0	0	111.3	A259 A260 R265 Q266 V267 T339	A259-H263 PolarHBondContact O-N 3.33Å; A260-H263 PolarHBondContact O-N 3.09Å; H263-R265 VanDerWaalsContact C-N 3.33Å; H263-R265 PolarHBondContact O-N 3.07Å; H263-Q266 WeakPolarHBondContact O-CB 3.31Å; H263-Q266 PolarHBondContact O-N 3.29Å; H263-Q266 VanDerWaalsContact O-N 3.09Å; H263-V267 PolarHBondContact O-N 3.42Å; H263-T339 HydrophobicContact CB-CG2 4.1Å
264	L	92.4	Very high	91.2	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-41.9	176	-174	61.2	0	0	0	111.8	A260 F261 K262 Q266 V267 Y269 M335 K338 T339	A260-L264 WeakPolarHBondContact O-CB 3.33Å; A260-L264 PolarHBondContact O-N 2.74Å; F261-L264 HydrophobicContact CD2-CD2 4.44Å; F261-L264 PolarHBondContact O-N 2.97Å; K262-L264 VanDerWaalsContact C-N 3.33Å; L264-Q266 PolarHBondContact O-N 2.83Å; L264-V267 HydrophobicContact CD1-CG2 4.38Å; L264-V267 WeakPolarHBondContact O-CG2 3.33Å; L264-V267 PolarHBondContact O-N 3.37Å; L264-Y269 HydrophobicContact CD1-CD2 4.23Å; L264-Y269 HydrophobicContact CD1-CG 4.18Å; L264-Y269 HydrophobicContact CD2-CD1 3.98Å; L264-Y269 HydrophobicContact CD2-CD2 4.17Å; L264-Y269 HydrophobicContact CD2-CE1 4.19Å; L264-Y269 HydrophobicContact CD2-CE2 4.38Å; L264-Y269 HydrophobicContact CD2-CG 3.96Å; L264-Y269 HydrophobicContact CG-CD1 4.03Å; L264-Y269 HydrophobicContact CG-CD2 4.13Å; L264-Y269 HydrophobicContact CG-CG 3.69Å; L264-Y269 WeakPolarHBondContact O-CB 3.46Å; L264-Y269 PolarHBondContact O-N 3.05Å; L264-M335 HydrophobicContact CD2-CB 4.31Å; L264-M335 HydrophobicContact CD2-CG 3.98Å; L264-M335 HydrophobicContact CD2-SD 4.37Å; L264-K338 HydrophobicContact CD1-CB 4.17Å; L264-K338 HydrophobicContact CD1-CG 4.02Å; L264-T339 WeakPolarHBondContact CA-OG1 3.44Å
265	R	92.4	Very high	91.4	Very high	110 Å²	110	62.7 Å²	62.7	42%	0.415	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-40.2	172.4	-76.1	-63.3	-148.7	175	0.2	112.7	F261 K262 H263 V267 G268 Y269 T270 A271	F261-R265 HydrophobicContact CD1-CG 4.42Å; F261-R265 HydrophobicContact CE1-CG 4Å; F261-R265 HydrophobicContact CE2-CG 4.12Å; F261-R265 HydrophobicContact CZ-CG 3.84Å; F261-R265 WeakPolarHBondContact O-CG 3.49Å; F261-R265 PolarHBondContact O-N 3.4Å; K262-R265 PolarHBondContact O-N 3.27Å; H263-R265 VanDerWaalsContact C-N 3.33Å; H263-R265 PolarHBondContact O-N 3.07Å; R265-V267 PolarHBondContact O-N 3.03Å; R265-G268 PolarHBondContact O-N 3.16Å; R265-Y269 WeakPolarHBondContact CD-O 3.29Å; R265-Y269 PolarHBondContact NH1-O 3.02Å; R265-T270 VanDerWaalsContact NH1-CA 3.34Å; R265-T270 PolarHBondContact NH1-O 3.38Å; R265-A271 PolarHBondContact NH1-O 3.36Å
266	Q	91.3	Very high	91.5	Very high	130 Å²	130	56.5 Å²	56.5	61%	0.607	31%	0.307	S	S	*	.	H	α-helix	trans	-65.4	-25.8	-178.2	-76.1	172.4	-21.8	0	0	113.5	K262 H263 L264 G268	K262-Q266 VanDerWaalsContact O-CG 3.29Å; K262-Q266 WeakPolarHBondContact O-CG 3.34Å; K262-Q266 PolarHBondContact O-N 3.14Å; H263-Q266 WeakPolarHBondContact O-CB 3.31Å; H263-Q266 PolarHBondContact O-N 3.29Å; H263-Q266 VanDerWaalsContact O-N 3.09Å; L264-Q266 PolarHBondContact O-N 2.83Å; Q266-G268 VanDerWaalsContact C-N 3.29Å
267	V	91.2	Very high	91.5	Very high	24 Å²	24	57.6 Å²	57.6	15%	0.145	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	8.6	178.3	-57.4	0	0	0	0	113.1	H263 L264 R265 T339 M342 T343 N346	H263-V267 PolarHBondContact O-N 3.42Å; L264-V267 HydrophobicContact CD1-CG2 4.38Å; L264-V267 WeakPolarHBondContact O-CG2 3.33Å; L264-V267 PolarHBondContact O-N 3.37Å; R265-V267 PolarHBondContact O-N 3.03Å; V267-T339 HydrophobicContact CG1-CG2 3.72Å; V267-T339 HydrophobicContact CG2-CG2 3.98Å; V267-M342 HydrophobicContact CB-CB 4.3Å; V267-M342 HydrophobicContact CG2-CB 3.86Å; V267-M342 HydrophobicContact CG2-CG 4.49Å; V267-T343 HydrophobicContact CB-CG2 4.2Å; V267-T343 HydrophobicContact CG1-CG2 3.35Å; V267-N346 PolarHBondContact O-ND2 3.15Å
268	G	88.9	Confident	91.6	Very high	49 Å²	49	58 Å²	58	51%	0.505	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.3	7.1	173.9	0	0	0	0	0	115.5	R265 Q266 T270	R265-G268 PolarHBondContact O-N 3.16Å; Q266-G268 VanDerWaalsContact C-N 3.29Å; G268-T270 PolarHBondContact O-N 3.44Å
269	Y	90.2	Very high	91.7	Very high	52 Å²	52	55 Å²	55	20%	0.204	29%	0.291	C	S	.	.			trans	-67.1	118.1	176.7	-174.3	-95.7	0	0	0	111.7	F261 L264 R265 A271 S272	F261-Y269 HydrophobicContact CE2-CD1 4.16Å; F261-Y269 HydrophobicContact CE2-CE1 4.13Å; L264-Y269 HydrophobicContact CD1-CD2 4.23Å; L264-Y269 HydrophobicContact CD1-CG 4.18Å; L264-Y269 HydrophobicContact CD2-CD1 3.98Å; L264-Y269 HydrophobicContact CD2-CD2 4.17Å; L264-Y269 HydrophobicContact CD2-CE1 4.19Å; L264-Y269 HydrophobicContact CD2-CE2 4.38Å; L264-Y269 HydrophobicContact CD2-CG 3.96Å; L264-Y269 HydrophobicContact CG-CD1 4.03Å; L264-Y269 HydrophobicContact CG-CD2 4.13Å; L264-Y269 HydrophobicContact CG-CG 3.69Å; L264-Y269 WeakPolarHBondContact O-CB 3.46Å; L264-Y269 PolarHBondContact O-N 3.05Å; R265-Y269 WeakPolarHBondContact CD-O 3.29Å; R265-Y269 PolarHBondContact NH1-O 3.02Å; Y269-A271 HydrophobicContact CE1-CB 3.73Å; Y269-A271 VanDerWaalsContact CE1-O 3.23Å; Y269-A271 WeakPolarHBondContact CE1-O 3.42Å; Y269-A271 HydrophobicContact CE2-CB 4.3Å; Y269-S272 WeakPolarHBondContact CE1-O 3.42Å
270	T	88.5	Confident	91.7	Very high	125 Å²	125	54.2 Å²	54.2	77%	0.767	28%	0.28	S	S	*	.			trans	-95.5	-24.4	-173	54.7	0	0	0	0	114	R265 G268	R265-T270 VanDerWaalsContact NH1-CA 3.34Å; R265-T270 PolarHBondContact NH1-O 3.38Å; G268-T270 PolarHBondContact O-N 3.44Å
271	A	88.2	Confident	91.7	Very high	45 Å²	45	54.7 Å²	54.7	37%	0.372	28%	0.283	S	S	.	.	S	Bend	trans	-70.1	166.9	-177.7	0	0	0	0	0	113.4	R265 Y269	R265-A271 PolarHBondContact NH1-O 3.36Å; Y269-A271 HydrophobicContact CE1-CB 3.73Å; Y269-A271 VanDerWaalsContact CE1-O 3.23Å; Y269-A271 WeakPolarHBondContact CE1-O 3.42Å; Y269-A271 HydrophobicContact CE2-CB 4.3Å
272	S	88.8	Confident	91.6	Very high	71 Å²	71	53.7 Å²	53.7	50%	0.497	28%	0.279	S	S	.	.			trans	-64.3	163	175.2	61.7	0	0	0	0	111.6	Y269 P274	Y269-S272 WeakPolarHBondContact CE1-O 3.42Å; S272-P274 VanDerWaalsContact O-CD 3.23Å; S272-P274 WeakPolarHBondContact O-CD 3.41Å
273	N	91.3	Very high	91.5	Very high	19 Å²	19	47.6 Å²	47.6	10%	0.102	25%	0.252	C	S	.	.			trans	-57.2	112.4	179.3	178.1	-0.4	0	0	0	110	F261 C275 D276 R277	F261-N273 HydrophobicContact CD1-CB 4.11Å; F261-N273 HydrophobicContact CD2-CB 4.06Å; F261-N273 HydrophobicContact CE1-CB 3.87Å; F261-N273 VanDerWaalsContact CE2-CA 3.44Å; F261-N273 HydrophobicContact CE2-CB 3.85Å; F261-N273 HydrophobicContact CG-CB 4.2Å; F261-N273 HydrophobicContact CZ-CB 3.74Å; N273-C275 VanDerWaalsContact C-N 3.25Å; N273-C275 PolarHBondContact O-N 3.43Å; N273-C275 WeakPolarHBondContact OD1-CB 3.43Å; N273-C275 PolarHBondContact OD1-N 3.49Å; N273-C275 VanDerWaalsContact OD1-N 3.14Å; N273-D276 HydrophobicContact CB-CB 4.01Å; N273-D276 PolarHBondContact ND2-OD2 2.88Å; N273-D276 PolarHBondContact O-N 3.16Å; N273-D276 VanDerWaalsContact O-N 3.07Å; N273-R277 PolarHBondContact O-N 3.19Å
274	P	91.9	Very high	91.3	Very high	21 Å²	21	43.6 Å²	43.6	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-67.1	-30.2	-172	29.2	-36.7	0	0	0	111.9	S272 R277 E278 W331 M335	S272-P274 VanDerWaalsContact O-CD 3.23Å; S272-P274 WeakPolarHBondContact O-CD 3.41Å; P274-R277 PolarHBondContact O-N 3.44Å; P274-E278 PolarHBondContact O-N 2.94Å; P274-E278 VanDerWaalsContact O-N 3.09Å; P274-W331 HydrophobicContact CB-CE3 4.4Å; P274-W331 HydrophobicContact CB-CH2 3.66Å; P274-W331 HydrophobicContact CB-CZ3 3.53Å; P274-W331 HydrophobicContact CG-CE3 4.18Å; P274-W331 HydrophobicContact CG-CH2 4.3Å; P274-W331 HydrophobicContact CG-CZ3 3.64Å; P274-M335 HydrophobicContact CG-CG 4.43Å; P274-M335 HydrophobicContact CG-SD 4.42Å
275	C	93.1	Very high	91.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-42.1	172.8	177.1	0	0	0	0	111.8	L257 N273 Y279 W327 W331	L257-C275 HydrophobicContact CD1-CB 4.13Å; N273-C275 VanDerWaalsContact C-N 3.25Å; N273-C275 PolarHBondContact O-N 3.43Å; N273-C275 WeakPolarHBondContact OD1-CB 3.43Å; N273-C275 PolarHBondContact OD1-N 3.49Å; N273-C275 VanDerWaalsContact OD1-N 3.14Å; C275-Y279 WeakPolarHBondContact O-CB 3.27Å; C275-Y279 PolarHBondContact O-N 3.43Å; C275-W327 WeakPolarHBondContact O-CH2 3.48Å; C275-W327 WeakPolarHBondContact SG-CH2 3.41Å; C275-W331 HydrophobicContact CB-CB 4.03Å; C275-W331 HydrophobicContact CB-CD2 3.82Å; C275-W331 HydrophobicContact CB-CE3 4.3Å; C275-W331 HydrophobicContact CB-CG 3.69Å
276	D	91.7	Very high	90.8	Very high	38 Å²	38	41.2 Å²	41.2	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-70.1	-37.2	177.6	-76.6	-31.9	0	0	0	111.3	R252 N273 Y279 Y280	R252-D276 IonicContact CZ-OD1 3.7Å; R252-D276 IonicContact NH1-OD1 2.81Å; R252-D276 PolarHBondContact NH1-OD1 3.24Å; R252-D276 IonicContact NH1-OD2 3.77Å; N273-D276 HydrophobicContact CB-CB 4.01Å; N273-D276 PolarHBondContact ND2-OD2 2.88Å; N273-D276 PolarHBondContact O-N 3.16Å; N273-D276 VanDerWaalsContact O-N 3.07Å; D276-Y279 WeakPolarHBondContact O-CB 3.38Å; D276-Y279 PolarHBondContact O-N 3.13Å; D276-Y280 HydrophobicContact CB-CE2 4.29Å; D276-Y280 WeakPolarHBondContact O-CD2 3.36Å; D276-Y280 PolarHBondContact O-N 2.94Å
277	R	91.3	Very high	90.5	Very high	149 Å²	149	37.9 Å²	37.9	56%	0.562	22%	0.219	S	C	*	.	H	α-helix	trans	-57.9	-51.3	175	-174.1	-179.7	-179.9	-173.3	-0.2	111.3	N273 P274 Y280 S281 N287	N273-R277 PolarHBondContact O-N 3.19Å; P274-R277 PolarHBondContact O-N 3.44Å; R277-Y280 PolarHBondContact O-N 2.93Å; R277-S281 PolarHBondContact O-N 3.21Å; R277-S281 VanDerWaalsContact O-N 3.1Å; R277-S281 PolarHBondContact O-OG 2.97Å; R277-N287 HydrophobicContact CG-CB 4.23Å
278	E	93.4	Very high	90.3	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.061	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-38.3	178.4	-172.6	178.4	-141.4	0	0	112	P227 R228 L229 A230 A231 P274 Y280 S281 I282 W327 W331	P227-E278 WeakPolarHBondContact CA-OE2 3.41Å; R228-E278 VanDerWaalsContact CA-OE1 3.28Å; R228-E278 WeakPolarHBondContact CA-OE1 3.42Å; R228-E278 PolarHBondContact N-OE1 3.3Å; R228-E278 PolarHBondContact N-OE2 3.29Å; L229-E278 PolarHBondContact N-OE1 3.03Å; A230-E278 PolarHBondContact N-OE1 3.37Å; A231-E278 HydrophobicContact CB-CG 3.84Å; A231-E278 PolarHBondContact N-OE1 3.32Å; P274-E278 PolarHBondContact O-N 2.94Å; P274-E278 VanDerWaalsContact O-N 3.09Å; E278-Y280 PolarHBondContact O-N 3.03Å; E278-S281 WeakPolarHBondContact O-CB 3.47Å; E278-S281 PolarHBondContact O-N 3.21Å; E278-I282 HydrophobicContact CG-CD1 3.93Å; E278-I282 HydrophobicContact CG-CG1 4.5Å; E278-I282 WeakPolarHBondContact O-CG1 3.48Å; E278-I282 PolarHBondContact O-N 2.87Å; E278-W327 HydrophobicContact CB-CZ2 4.2Å; E278-W327 HydrophobicContact CG-CZ2 4.35Å; E278-W327 PolarHBondContact OE2-NE1 2.97Å; E278-W331 HydrophobicContact CB-CZ2 4.03Å; E278-W331 VanDerWaalsContact OE2-CE2 3.24Å; E278-W331 VanDerWaalsContact OE2-CZ2 3.25Å; E278-W331 WeakPolarHBondContact OE2-CZ2 3.46Å; E278-W331 PolarHBondContact OE2-NE1 2.8Å
279	Y	94.6	Very high	90.1	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-54.8	-50.6	174.5	172.4	-98.7	0	0	0	112	W247 R248 R252 C275 D276 I282 I283 F324 W327	W247-Y279 HydrophobicContact CB-CE2 4.33Å; W247-Y279 HydrophobicContact CE3-CD2 4.44Å; R248-Y279 WeakPolarHBondContact CA-OH 3.36Å; R252-Y279 VanDerWaalsContact CD-CE1 3.49Å; R252-Y279 HydrophobicContact CG-CE2 4.27Å; C275-Y279 WeakPolarHBondContact O-CB 3.27Å; C275-Y279 PolarHBondContact O-N 3.43Å; D276-Y279 WeakPolarHBondContact O-CB 3.38Å; D276-Y279 PolarHBondContact O-N 3.13Å; Y279-I282 PolarHBondContact O-N 2.97Å; Y279-I282 VanDerWaalsContact O-N 3.17Å; Y279-I283 HydrophobicContact CD1-CD1 4.15Å; Y279-I283 HydrophobicContact CD1-CG1 3.96Å; Y279-I283 HydrophobicContact CD2-CG2 4.18Å; Y279-I283 HydrophobicContact CE1-CD1 3.36Å; Y279-I283 HydrophobicContact CE1-CG1 3.61Å; Y279-I283 HydrophobicContact CE1-CG2 4.48Å; Y279-I283 HydrophobicContact CE2-CG1 4.41Å; Y279-I283 HydrophobicContact CE2-CG2 3.77Å; Y279-I283 HydrophobicContact CG-CG1 4.48Å; Y279-I283 WeakPolarHBondContact O-CG1 3.41Å; Y279-I283 PolarHBondContact O-N 3.32Å; Y279-F324 HydrophobicContact CD2-CE2 4.11Å; Y279-F324 HydrophobicContact CE2-CE2 4.03Å; Y279-W327 HydrophobicContact CD2-CH2 4.44Å; Y279-W327 HydrophobicContact CD2-CZ3 4.46Å
280	Y	92.6	Very high	90	Very high	26 Å²	26	45.6 Å²	45.6	10%	0.102	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-39.7	-179.3	-70.6	-60.4	0	0	0	111.8	R252 D276 R277 E278 I282 I283 L284 D286 I292	R252-Y280 PolarHBondContact NH2-OH 2.87Å; D276-Y280 HydrophobicContact CB-CE2 4.29Å; D276-Y280 WeakPolarHBondContact O-CD2 3.36Å; D276-Y280 PolarHBondContact O-N 2.94Å; R277-Y280 PolarHBondContact O-N 2.93Å; E278-Y280 PolarHBondContact O-N 3.03Å; Y280-I282 VanDerWaalsContact C-N 3.26Å; Y280-I282 PolarHBondContact O-N 3.41Å; Y280-I283 HydrophobicContact CD1-CD1 3.98Å; Y280-I283 HydrophobicContact CD1-CG1 4.23Å; Y280-I283 HydrophobicContact CE1-CD1 4.35Å; Y280-I283 PolarHBondContact O-N 3.34Å; Y280-L284 HydrophobicContact CD1-CD1 3.71Å; Y280-L284 HydrophobicContact CD1-CG 4.37Å; Y280-L284 HydrophobicContact CE1-CD1 4.5Å; Y280-L284 HydrophobicContact CG-CD1 4.42Å; Y280-L284 WeakPolarHBondContact O-CA 3.43Å; Y280-L284 VanDerWaalsContact O-CB 3.31Å; Y280-L284 WeakPolarHBondContact O-CB 3.4Å; Y280-L284 PolarHBondContact O-N 3.01Å; Y280-D286 CarbonylContact C-O 3.56Å; Y280-D286 VanDerWaalsContact C-O 3.26Å; Y280-D286 VanDerWaalsContact O-O 3.12Å; Y280-I292 HydrophobicContact CD1-CD1 4.35Å; Y280-I292 HydrophobicContact CD1-CG1 3.9Å; Y280-I292 HydrophobicContact CD1-CG2 4.42Å; Y280-I292 HydrophobicContact CD2-CD1 3.49Å; Y280-I292 VanDerWaalsContact CD2-CD1 3.49Å; Y280-I292 HydrophobicContact CD2-CG1 3.96Å; Y280-I292 HydrophobicContact CE1-CG1 4.28Å; Y280-I292 HydrophobicContact CE1-CG2 3.95Å; Y280-I292 HydrophobicContact CE2-CD1 3.96Å; Y280-I292 HydrophobicContact CE2-CG1 4.33Å; Y280-I292 HydrophobicContact CE2-CG2 4.07Å; Y280-I292 HydrophobicContact CG-CD1 3.71Å; Y280-I292 HydrophobicContact CG-CG1 3.73Å
281	S	92.7	Very high	89.9	Confident	11 Å²	11	41.4 Å²	41.4	8%	0.077	23%	0.229	C	C	.	.	H	α-helix	trans	-54.1	-41.6	170.5	-71.2	0	0	0	0	112.5	R277 E278 G285 N287	R277-S281 PolarHBondContact O-N 3.21Å; R277-S281 VanDerWaalsContact O-N 3.1Å; R277-S281 PolarHBondContact O-OG 2.97Å; E278-S281 WeakPolarHBondContact O-CB 3.47Å; E278-S281 PolarHBondContact O-N 3.21Å; S281-G285 VanDerWaalsContact O-CA 3.26Å; S281-G285 WeakPolarHBondContact O-CA 3.31Å; S281-G285 PolarHBondContact O-N 3.47Å; S281-N287 PolarHBondContact OG-ND2 3.19Å; S281-N287 VanDerWaalsContact OG-ND2 3.15Å
282	I	92.2	Very high	89.8	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.062	22%	0.22	C	C	.	.	H	α-helix	trans	-72.2	-44.7	178.3	-68.9	163.9	0	0	0	112.2	A230 A231 R243 W247 E278 Y279 Y280	A230-I282 HydrophobicContact CB-CD1 3.7Å; A231-I282 HydrophobicContact CB-CG1 3.93Å; R243-I282 HydrophobicContact CG-CG2 4.17Å; W247-I282 HydrophobicContact CD2-CG2 4.44Å; W247-I282 HydrophobicContact CE3-CB 4.46Å; W247-I282 HydrophobicContact CE3-CD1 4.12Å; W247-I282 HydrophobicContact CE3-CG2 3.88Å; W247-I282 HydrophobicContact CH2-CD1 3.9Å; W247-I282 HydrophobicContact CZ3-CD1 3.34Å; W247-I282 HydrophobicContact CZ3-CG1 4.48Å; W247-I282 HydrophobicContact CZ3-CG2 4.17Å; E278-I282 HydrophobicContact CG-CD1 3.93Å; E278-I282 HydrophobicContact CG-CG1 4.5Å; E278-I282 WeakPolarHBondContact O-CG1 3.48Å; E278-I282 PolarHBondContact O-N 2.87Å; Y279-I282 PolarHBondContact O-N 2.97Å; Y279-I282 VanDerWaalsContact O-N 3.17Å; Y280-I282 VanDerWaalsContact C-N 3.26Å; Y280-I282 PolarHBondContact O-N 3.41Å
283	I	91.8	Very high	89.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-90.7	-17.6	-171	65.4	132	0	0	0	114.2	R244 W247 R248 Y279 Y280 Y295	R244-I283 WeakPolarHBondContact CG-O 3.44Å; R244-I283 PolarHBondContact NE-O 3.01Å; R244-I283 PolarHBondContact NH2-O 3.06Å; W247-I283 HydrophobicContact CB-CG2 3.91Å; R248-I283 HydrophobicContact CG-CB 3.94Å; R248-I283 HydrophobicContact CG-CD1 3.86Å; R248-I283 HydrophobicContact CG-CG2 4.08Å; R248-I283 VanDerWaalsContact CZ-O 3.29Å; R248-I283 PolarHBondContact NE-O 3.1Å; R248-I283 PolarHBondContact NH2-O 3.41Å; Y279-I283 HydrophobicContact CD1-CD1 4.15Å; Y279-I283 HydrophobicContact CD1-CG1 3.96Å; Y279-I283 HydrophobicContact CD2-CG2 4.18Å; Y279-I283 HydrophobicContact CE1-CD1 3.36Å; Y279-I283 HydrophobicContact CE1-CG1 3.61Å; Y279-I283 HydrophobicContact CE1-CG2 4.48Å; Y279-I283 HydrophobicContact CE2-CG1 4.41Å; Y279-I283 HydrophobicContact CE2-CG2 3.77Å; Y279-I283 HydrophobicContact CG-CG1 4.48Å; Y279-I283 WeakPolarHBondContact O-CG1 3.41Å; Y279-I283 PolarHBondContact O-N 3.32Å; Y280-I283 HydrophobicContact CD1-CD1 3.98Å; Y280-I283 HydrophobicContact CD1-CG1 4.23Å; Y280-I283 HydrophobicContact CE1-CD1 4.35Å; Y280-I283 PolarHBondContact O-N 3.34Å; I283-Y295 HydrophobicContact CD1-CE1 4.12Å
284	L	89.3	Confident	89.4	Confident	9 Å²	9	45.8 Å²	45.8	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-115.9	-21.8	-179.6	-60.9	177.2	0	0	0	112.2	R244 Y280 D286 T291 I292 Y295	R244-L284 VanDerWaalsContact NH2-CA 3.27Å; R244-L284 PolarHBondContact NH2-O 3.23Å; Y280-L284 HydrophobicContact CD1-CD1 3.71Å; Y280-L284 HydrophobicContact CD1-CG 4.37Å; Y280-L284 HydrophobicContact CE1-CD1 4.5Å; Y280-L284 HydrophobicContact CG-CD1 4.42Å; Y280-L284 WeakPolarHBondContact O-CA 3.43Å; Y280-L284 VanDerWaalsContact O-CB 3.31Å; Y280-L284 WeakPolarHBondContact O-CB 3.4Å; Y280-L284 PolarHBondContact O-N 3.01Å; L284-D286 PolarHBondContact O-N 2.85Å; L284-T291 HydrophobicContact CB-CG2 4.31Å; L284-T291 HydrophobicContact CD1-CG2 4.2Å; L284-I292 HydrophobicContact CD1-CG1 4Å; L284-Y295 HydrophobicContact CD1-CG 4.32Å; L284-Y295 HydrophobicContact CD2-CD1 4.32Å; L284-Y295 HydrophobicContact CD2-CD2 3.62Å; L284-Y295 HydrophobicContact CD2-CE2 4.24Å; L284-Y295 HydrophobicContact CD2-CG 3.67Å
285	G	87.4	Confident	89	Confident	15 Å²	15	46.3 Å²	46.3	16%	0.155	24%	0.24	C	C	.	.	S	Bend	trans	77.9	-0.8	-168.7	0	0	0	0	0	112.8	S281	S281-G285 VanDerWaalsContact O-CA 3.26Å; S281-G285 WeakPolarHBondContact O-CA 3.31Å; S281-G285 PolarHBondContact O-N 3.47Å
286	D	86	Confident	88.4	Confident	48 Å²	48	49.5 Å²	49.5	26%	0.257	26%	0.259	S	S	.	.			trans	-148.3	151.7	-176.4	-177.7	13.6	0	0	0	108.7	Y280 L284 S288 T291	Y280-D286 CarbonylContact C-O 3.56Å; Y280-D286 VanDerWaalsContact C-O 3.26Å; Y280-D286 VanDerWaalsContact O-O 3.12Å; L284-D286 PolarHBondContact O-N 2.85Å; D286-S288 WeakPolarHBondContact OD1-CB 3.36Å; D286-S288 PolarHBondContact OD1-N 3.43Å; D286-S288 WeakPolarHBondContact OD2-CB 3.47Å; D286-S288 PolarHBondContact OD2-OG 3.15Å; D286-T291 HydrophobicContact CB-CG2 4.22Å; D286-T291 VanDerWaalsContact OD2-CB 3.31Å; D286-T291 WeakPolarHBondContact OD2-CB 3.31Å; D286-T291 PolarHBondContact OD2-OG1 2.99Å
287	N	85.1	Confident	87.8	Confident	60 Å²	60	54.7 Å²	54.7	32%	0.321	28%	0.279	S	S	.	.			trans	-121.6	12.2	174.5	62.5	28.3	0	0	0	113.3	R277 S281	R277-N287 HydrophobicContact CG-CB 4.23Å; S281-N287 PolarHBondContact OG-ND2 3.19Å; S281-N287 VanDerWaalsContact OG-ND2 3.15Å
288	S	87.2	Confident	86.9	Confident	41 Å²	41	52.8 Å²	52.8	29%	0.287	28%	0.281	S	S	.	.			trans	-60.4	146.3	172.2	75.5	0	0	0	0	111.8	D286 E290 T291 I292	D286-S288 WeakPolarHBondContact OD1-CB 3.36Å; D286-S288 PolarHBondContact OD1-N 3.43Å; D286-S288 WeakPolarHBondContact OD2-CB 3.47Å; D286-S288 PolarHBondContact OD2-OG 3.15Å; S288-E290 VanDerWaalsContact C-N 3.3Å; S288-E290 PolarHBondContact O-N 3.34Å; S288-T291 PolarHBondContact O-N 2.69Å; S288-T291 WeakPolarHBondContact OG-CB 3.19Å; S288-T291 PolarHBondContact OG-N 3.13Å; S288-T291 PolarHBondContact OG-OG1 2.88Å; S288-I292 WeakPolarHBondContact O-CD1 3.21Å; S288-I292 VanDerWaalsContact O-CG1 3.26Å; S288-I292 WeakPolarHBondContact O-CG1 3.37Å; S288-I292 PolarHBondContact O-N 2.94Å
289	T	85.4	Confident	85.7	Confident	112 Å²	112	53.9 Å²	53.9	69%	0.687	29%	0.287	S	S	*	.	H	α-helix	trans	-62.6	-38.6	-179	47.5	0	0	0	0	111.8	I292 L293	T289-I292 PolarHBondContact O-N 3.35Å; T289-L293 VanDerWaalsContact O-CG 3.3Å; T289-L293 WeakPolarHBondContact O-CG 3.32Å; T289-L293 PolarHBondContact O-N 3.47Å
290	E	88.2	Confident	84.2	Confident	135 Å²	135	56 Å²	56	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-63.4	-48.9	179	-173.8	177.9	177.5	0	0	112.1	S288 I292 L293 N294	S288-E290 VanDerWaalsContact C-N 3.3Å; S288-E290 PolarHBondContact O-N 3.34Å; E290-I292 VanDerWaalsContact C-N 3.27Å; E290-I292 PolarHBondContact O-N 3.47Å; E290-L293 PolarHBondContact O-N 2.77Å; E290-N294 WeakPolarHBondContact O-CB 3.44Å; E290-N294 PolarHBondContact O-N 3.26Å
291	T	85.9	Confident	82.6	Confident	37 Å²	37	60.8 Å²	60.8	23%	0.227	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-37.4	178.4	-59.5	0	0	0	0	111.5	L284 D286 S288 Y295	L284-T291 HydrophobicContact CB-CG2 4.31Å; L284-T291 HydrophobicContact CD1-CG2 4.2Å; D286-T291 HydrophobicContact CB-CG2 4.22Å; D286-T291 VanDerWaalsContact OD2-CB 3.31Å; D286-T291 WeakPolarHBondContact OD2-CB 3.31Å; D286-T291 PolarHBondContact OD2-OG1 2.99Å; S288-T291 PolarHBondContact O-N 2.69Å; S288-T291 WeakPolarHBondContact OG-CB 3.19Å; S288-T291 PolarHBondContact OG-N 3.13Å; S288-T291 PolarHBondContact OG-OG1 2.88Å; T291-Y295 WeakPolarHBondContact O-CB 3.19Å; T291-Y295 PolarHBondContact O-N 2.6Å
292	I	85.9	Confident	81.3	Confident	33 Å²	33	61.9 Å²	61.9	17%	0.169	34%	0.342	C	S	.	.	H	α-helix	trans	-65.7	-45.7	175.8	-66.2	165.8	0	0	0	110.9	Y280 L284 S288 T289 E290 Y295 V296	Y280-I292 HydrophobicContact CD1-CD1 4.35Å; Y280-I292 HydrophobicContact CD1-CG1 3.9Å; Y280-I292 HydrophobicContact CD1-CG2 4.42Å; Y280-I292 HydrophobicContact CD2-CD1 3.49Å; Y280-I292 VanDerWaalsContact CD2-CD1 3.49Å; Y280-I292 HydrophobicContact CD2-CG1 3.96Å; Y280-I292 HydrophobicContact CE1-CG1 4.28Å; Y280-I292 HydrophobicContact CE1-CG2 3.95Å; Y280-I292 HydrophobicContact CE2-CD1 3.96Å; Y280-I292 HydrophobicContact CE2-CG1 4.33Å; Y280-I292 HydrophobicContact CE2-CG2 4.07Å; Y280-I292 HydrophobicContact CG-CD1 3.71Å; Y280-I292 HydrophobicContact CG-CG1 3.73Å; L284-I292 HydrophobicContact CD1-CG1 4Å; S288-I292 WeakPolarHBondContact O-CD1 3.21Å; S288-I292 VanDerWaalsContact O-CG1 3.26Å; S288-I292 WeakPolarHBondContact O-CG1 3.37Å; S288-I292 PolarHBondContact O-N 2.94Å; T289-I292 PolarHBondContact O-N 3.35Å; E290-I292 VanDerWaalsContact C-N 3.27Å; E290-I292 PolarHBondContact O-N 3.47Å; I292-Y295 PolarHBondContact O-N 3.42Å; I292-V296 WeakPolarHBondContact O-CG2 3.18Å; I292-V296 PolarHBondContact O-N 2.85Å
293	L	85.8	Confident	80.6	Confident	119 Å²	119	68.9 Å²	68.9	62%	0.623	37%	0.374	S	S	*	.	H	α-helix	trans	-64	-45.1	178.8	-72.5	172.5	0	0	0	111.7	T289 E290 Y295 V296 K297	T289-L293 VanDerWaalsContact O-CG 3.3Å; T289-L293 WeakPolarHBondContact O-CG 3.32Å; T289-L293 PolarHBondContact O-N 3.47Å; E290-L293 PolarHBondContact O-N 2.77Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; L293-Y295 PolarHBondContact O-N 3.28Å; L293-V296 PolarHBondContact O-N 3.4Å; L293-V296 VanDerWaalsContact O-N 3.16Å; L293-K297 WeakPolarHBondContact O-CB 3.02Å; L293-K297 PolarHBondContact O-N 3.48Å
294	N	85.8	Confident	80.1	Confident	75 Å²	75	71.4 Å²	71.4	40%	0.401	39%	0.39	S	S	.	.	H	α-helix	trans	-59.9	-43	175.5	-76.7	-20.5	0	0	0	111.6	E290 V296 K297 N298	E290-N294 WeakPolarHBondContact O-CB 3.44Å; E290-N294 PolarHBondContact O-N 3.26Å; N294-V296 PolarHBondContact O-N 3.27Å; N294-K297 PolarHBondContact O-N 3.27Å; N294-N298 WeakPolarHBondContact O-CB 3.31Å; N294-N298 VanDerWaalsContact O-CG 3.24Å; N294-N298 PolarHBondContact O-N 2.91Å; N294-N298 PolarHBondContact O-ND2 2.86Å
295	Y	83.3	Confident	79.9	Confident	32 Å²	32	73.1 Å²	73.1	13%	0.125	40%	0.403	C	S	.	.	H	α-helix	trans	-61.2	-43.2	174.3	170.7	-103.9	0	0	0	112.3	R112 I283 L284 T291 I292 L293 N299	R112-Y295 PolarHBondContact NH2-OH 2.97Å; I283-Y295 HydrophobicContact CD1-CE1 4.12Å; L284-Y295 HydrophobicContact CD1-CG 4.32Å; L284-Y295 HydrophobicContact CD2-CD1 4.32Å; L284-Y295 HydrophobicContact CD2-CD2 3.62Å; L284-Y295 HydrophobicContact CD2-CE2 4.24Å; L284-Y295 HydrophobicContact CD2-CG 3.67Å; T291-Y295 WeakPolarHBondContact O-CB 3.19Å; T291-Y295 PolarHBondContact O-N 2.6Å; I292-Y295 PolarHBondContact O-N 3.42Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; L293-Y295 PolarHBondContact O-N 3.28Å; Y295-N299 WeakPolarHBondContact CD2-ND2 3.35Å; Y295-N299 WeakPolarHBondContact CE2-ND2 3.32Å; Y295-N299 VanDerWaalsContact CZ-ND2 3.31Å; Y295-N299 PolarHBondContact O-ND2 2.86Å
296	V	80.2	Confident	79.8	Confident	68 Å²	68	76.6 Å²	76.6	41%	0.412	42%	0.415	S	S	.	.	H	α-helix	trans	-65.8	-45.6	179	172.6	0	0	0	0	110.8	I292 L293 N294 N299 C300	I292-V296 WeakPolarHBondContact O-CG2 3.18Å; I292-V296 PolarHBondContact O-N 2.85Å; L293-V296 PolarHBondContact O-N 3.4Å; L293-V296 VanDerWaalsContact O-N 3.16Å; N294-V296 PolarHBondContact O-N 3.27Å; V296-N299 PolarHBondContact O-N 3.45Å; V296-C300 PolarHBondContact O-SG 2.91Å
297	K	79.3	Confident	79.8	Confident	146 Å²	146	78.9 Å²	78.9	64%	0.635	44%	0.435	S	S	*	.	H	α-helix	trans	-61.8	-48.2	-179.4	-171	175.6	-178	176.5	0	112.5	L293 N294 N299 C300	L293-K297 WeakPolarHBondContact O-CB 3.02Å; L293-K297 PolarHBondContact O-N 3.48Å; N294-K297 PolarHBondContact O-N 3.27Å; K297-N299 PolarHBondContact O-N 3.37Å; K297-N299 VanDerWaalsContact O-N 3.14Å; K297-C300 PolarHBondContact O-N 3.48Å
298	N	73.9	Confident	79.8	Confident	110 Å²	110	81.1 Å²	81.1	59%	0.588	44%	0.442	S	S	*	.	H	α-helix	trans	-64.5	-20.7	-176.4	-73.8	-16.8	0	0	0	114.3	N294	N294-N298 WeakPolarHBondContact O-CB 3.31Å; N294-N298 VanDerWaalsContact O-CG 3.24Å; N294-N298 PolarHBondContact O-N 2.91Å; N294-N298 PolarHBondContact O-ND2 2.86Å
299	N	67.9	Low	79.9	Confident	35 Å²	35	79.3 Å²	79.3	19%	0.187	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.6	-178.7	-75.6	-56.5	0	0	0	114.2	R112 Y295 V296 K297	R112-N299 WeakPolarHBondContact CB-O 3.47Å; R112-N299 HydrophobicContact CG-CB 4.42Å; R112-N299 PolarHBondContact N-O 3.03Å; Y295-N299 WeakPolarHBondContact CD2-ND2 3.35Å; Y295-N299 WeakPolarHBondContact CE2-ND2 3.32Å; Y295-N299 VanDerWaalsContact CZ-ND2 3.31Å; Y295-N299 PolarHBondContact O-ND2 2.86Å; V296-N299 PolarHBondContact O-N 3.45Å; K297-N299 PolarHBondContact O-N 3.37Å; K297-N299 VanDerWaalsContact O-N 3.14Å
300	C	62.2	Low	80.2	Confident	51 Å²	51	75.9 Å²	75.9	35%	0.345	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-25.7	-170.3	-75.2	0	0	0	0	114.4	V296 K297	V296-C300 PolarHBondContact O-SG 2.91Å; K297-C300 PolarHBondContact O-N 3.48Å
301	T	59.5	Low	80.5	Confident	128 Å²	128	69.8 Å²	69.8	79%	0.785	38%	0.376	S	S	*	.	S	Bend	trans	-137.7	8.4	-164.2	53.6	0	0	0	0	116.2
302	S	64.5	Low	81	Confident	34 Å²	34	69 Å²	69	24%	0.238	37%	0.369	C	S	.	.			trans	-82.7	140.1	-179.2	69.5	0	0	0	0	113.1	P111	P111-S302 WeakPolarHBondContact CB-O 3.39Å
303	E	78.2	Confident	81.4	Confident	159 Å²	159	73.3 Å²	73.3	74%	0.743	38%	0.383	S	S	*	.			trans	-55.8	153.9	163.2	-70	-175.1	168.7	0	0	111.8	C305	E303-C305 PolarHBondContact O-N 3.3Å; E303-C305 VanDerWaalsContact O-N 3.15Å; E303-C305 PolarHBondContact O-SG 2.95Å; E303-C305 VanDerWaalsContact O-SG 3.37Å
304	P	82.1	Confident	81.9	Confident	52 Å²	52	70 Å²	70	34%	0.338	36%	0.363	S	S	.	.			trans	-65.7	113	175.5	27.3	-33.7	0	0	0	110.9	L149 W152	L149-P304 HydrophobicContact CD1-CB 3.79Å; L149-P304 HydrophobicContact CD1-CG 4.25Å; W152-P304 HydrophobicContact CD2-CB 3.86Å; W152-P304 HydrophobicContact CD2-CG 4.22Å; W152-P304 HydrophobicContact CE3-CB 3.72Å; W152-P304 HydrophobicContact CE3-CG 4.49Å; W152-P304 HydrophobicContact CH2-CB 3.81Å; W152-P304 HydrophobicContact CZ2-CB 3.92Å; W152-P304 WeakPolarHBondContact CZ2-O 3.35Å; W152-P304 HydrophobicContact CZ3-CB 3.72Å
305	C	84.6	Confident	82.4	Confident	46 Å²	46	69.2 Å²	69.2	31%	0.311	36%	0.363	S	S	.	.			trans	-112	127.4	178.3	-54.1	0	0	0	0	111.1	E303 S307 K308	E303-C305 PolarHBondContact O-N 3.3Å; E303-C305 VanDerWaalsContact O-N 3.15Å; E303-C305 PolarHBondContact O-SG 2.95Å; E303-C305 VanDerWaalsContact O-SG 3.37Å; C305-S307 VanDerWaalsContact C-N 3.32Å; C305-S307 PolarHBondContact O-N 3Å; C305-K308 HydrophobicContact CB-CB 4.47Å; C305-K308 HydrophobicContact CB-CD 4.18Å; C305-K308 HydrophobicContact CB-CG 4.16Å; C305-K308 PolarHBondContact O-N 2.99Å
306	Q	85.8	Confident	82.9	Confident	87 Å²	87	68.7 Å²	68.7	41%	0.407	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-62.1	-35.5	179.4	-174.3	174.7	-9	0	0	112.9	W152 V156 M198 K308 L309	W152-Q306 HydrophobicContact CZ2-CB 4.43Å; V156-Q306 HydrophobicContact CG1-CG 4.11Å; M198-Q306 HydrophobicContact CE-CG 4.02Å; Q306-K308 VanDerWaalsContact C-N 3.25Å; Q306-K308 PolarHBondContact O-N 3.35Å; Q306-L309 WeakPolarHBondContact O-CB 3.37Å; Q306-L309 PolarHBondContact O-N 2.91Å; Q306-L309 VanDerWaalsContact O-N 3.15Å
307	S	84.6	Confident	83.7	Confident	97 Å²	97	66.1 Å²	66.1	68%	0.678	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-65	-24.5	179.3	55.6	0	0	0	0	114.3	C305 R310	C305-S307 VanDerWaalsContact C-N 3.32Å; C305-S307 PolarHBondContact O-N 3Å; S307-R310 PolarHBondContact O-NH1 3.48Å
308	K	85.3	Confident	84.5	Confident	106 Å²	106	62.6 Å²	62.6	46%	0.461	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-85.3	-12.3	177.8	-66.6	-177.7	179.7	172.9	0	112.9	C305 Q306	C305-K308 HydrophobicContact CB-CB 4.47Å; C305-K308 HydrophobicContact CB-CD 4.18Å; C305-K308 HydrophobicContact CB-CG 4.16Å; C305-K308 PolarHBondContact O-N 2.99Å; Q306-K308 VanDerWaalsContact C-N 3.25Å; Q306-K308 PolarHBondContact O-N 3.35Å
309	L	90.5	Very high	85.6	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	32%	0.319	C	S	.	.			trans	-68.1	141.8	-178.4	-60.7	-176.7	0	0	0	110.6	V107 T108 L110 W152 V156 F157 Q306	V107-L309 HydrophobicContact CG1-CD1 4.34Å; V107-L309 HydrophobicContact CG1-CD2 4Å; T108-L309 WeakPolarHBondContact O-CA 3.49Å; L110-L309 HydrophobicContact CD2-CD2 3.58Å; L110-L309 HydrophobicContact CG-CD2 4.35Å; W152-L309 HydrophobicContact CH2-CD1 3.79Å; W152-L309 HydrophobicContact CH2-CD2 4.24Å; W152-L309 HydrophobicContact CH2-CG 4.23Å; W152-L309 HydrophobicContact CZ3-CD1 4.12Å; W152-L309 HydrophobicContact CZ3-CD2 4.32Å; V156-L309 HydrophobicContact CG1-CD1 4.29Å; F157-L309 HydrophobicContact CE2-CD1 4.35Å; Q306-L309 WeakPolarHBondContact O-CB 3.37Å; Q306-L309 PolarHBondContact O-N 2.91Å; Q306-L309 VanDerWaalsContact O-N 3.15Å
310	R	91.1	Very high	86.9	Confident	41 Å²	41	58.9 Å²	58.9	16%	0.155	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.6	168.1	-61.9	-67.2	-177.1	-88.5	-2.6	109.3	T108 M202 S307 F312	T108-R310 PolarHBondContact N-O 3.1Å; T108-R310 PolarHBondContact O-N 3.48Å; T108-R310 WeakPolarHBondContact OG1-CB 2.97Å; T108-R310 PolarHBondContact OG1-O 3.13Å; M202-R310 PolarHBondContact SD-NH2 3.26Å; S307-R310 PolarHBondContact O-NH1 3.48Å; R310-F312 HydrophobicContact CB-CE2 3.76Å; R310-F312 HydrophobicContact CB-CZ 4.15Å
311	V	94.9	Very high	88.5	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.8	-170.5	-176	0	0	0	0	110.2	I105 L106 V107 F157 V195 M198	I105-V311 HydrophobicContact CB-CG1 4.02Å; I105-V311 HydrophobicContact CD1-CG1 3.56Å; I105-V311 HydrophobicContact CG1-CG1 4.29Å; I105-V311 HydrophobicContact CG2-CG1 4.48Å; L106-V311 CarbonylContact O-C 3.55Å; L106-V311 VanDerWaalsContact O-CA 3.3Å; L106-V311 WeakPolarHBondContact O-CA 3.31Å; V107-V311 HydrophobicContact CG2-CG2 4.47Å; F157-V311 HydrophobicContact CE1-CG1 4.47Å; F157-V311 HydrophobicContact CE1-CG2 3.81Å; F157-V311 HydrophobicContact CZ-CG2 3.62Å; V195-V311 HydrophobicContact CG2-CG1 3.87Å; M198-V311 HydrophobicContact CB-CB 3.87Å; M198-V311 HydrophobicContact CB-CG2 3.56Å; M198-V311 HydrophobicContact CG-CG2 3.87Å
312	F	95.3	Very high	90.3	Very high	21 Å²	21	59.5 Å²	59.5	9%	0.092	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.6	180	-57.7	-82.8	0	0	0	110.2	I105 L106 T108 L241 A242 H245 R310	I105-F312 WeakPolarHBondContact CA-O 3.4Å; L106-F312 HydrophobicContact CB-CB 4.39Å; L106-F312 HydrophobicContact CD2-CB 4.47Å; L106-F312 HydrophobicContact CD2-CD2 4.31Å; L106-F312 PolarHBondContact N-O 3.47Å; L106-F312 PolarHBondContact O-N 3.19Å; T108-F312 HydrophobicContact CG2-CD2 4.26Å; T108-F312 HydrophobicContact CG2-CE2 4.35Å; L241-F312 HydrophobicContact CB-CE1 4.48Å; A242-F312 VanDerWaalsContact CA-CE1 3.43Å; A242-F312 HydrophobicContact CB-CD1 3.81Å; A242-F312 HydrophobicContact CB-CE1 3.86Å; H245-F312 HydrophobicContact CB-CD2 4.33Å; H245-F312 HydrophobicContact CB-CE2 3.37Å; H245-F312 HydrophobicContact CB-CZ 3.7Å; H245-F312 AromaticContact CD2-CZ 3.96Å; H245-F312 AromaticContact CG-CE2 3.79Å; H245-F312 AromaticContact CG-CZ 3.9Å; R310-F312 HydrophobicContact CB-CE2 3.76Å; R310-F312 HydrophobicContact CB-CZ 4.15Å
313	R	95.5	Very high	91.7	Very high	122 Å²	122	59.5 Å²	59.5	46%	0.46	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	154	174.2	-59.6	176.9	-62.4	-178.9	5.4	109.7	V195 S315 D316 W317	V195-R313 HydrophobicContact CG1-CG 4.33Å; V195-R313 HydrophobicContact CG2-CG 3.97Å; R313-S315 WeakPolarHBondContact CB-OG 3.45Å; R313-S315 PolarHBondContact O-N 3.31Å; R313-D316 VanDerWaalsContact CB-OD2 3.31Å; R313-D316 WeakPolarHBondContact CB-OD2 3.43Å; R313-D316 IonicContact CZ-OD1 3.91Å; R313-D316 PolarHBondContact N-OD2 2.97Å; R313-D316 VanDerWaalsContact N-OD2 3.1Å; R313-D316 IonicContact NE-OD1 3.05Å; R313-D316 PolarHBondContact NE-OD1 3.43Å; R313-D316 IonicContact NE-OD2 2.91Å; R313-D316 PolarHBondContact NE-OD2 3.25Å; R313-D316 IonicContact NH2-OD1 2.81Å; R313-D316 PolarHBondContact NH2-OD1 3.09Å; R313-D316 PolarHBondContact O-N 3.06Å; R313-D316 VanDerWaalsContact O-N 3.13Å; R313-W317 PolarHBondContact O-N 2.95Å
314	Y	96.4	Very high	92.6	Very high	51 Å²	51	51.9 Å²	51.9	20%	0.2	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-29.8	174.9	-167.1	-106.5	0	0	0	113	E101 T104 F182 D316 W317 I318	E101-Y314 HydrophobicContact CB-CD1 3.82Å; E101-Y314 HydrophobicContact CB-CE1 4.37Å; E101-Y314 HydrophobicContact CG-CD1 3.84Å; E101-Y314 HydrophobicContact CG-CE1 3.88Å; E101-Y314 WeakPolarHBondContact O-CB 3.33Å; T104-Y314 HydrophobicContact CG2-CD2 3.8Å; T104-Y314 HydrophobicContact CG2-CE2 4.39Å; T104-Y314 HydrophobicContact CG2-CG 4.27Å; T104-Y314 VanDerWaalsContact O-CB 3.31Å; T104-Y314 WeakPolarHBondContact O-CB 3.38Å; T104-Y314 PolarHBondContact O-N 3.48Å; F182-Y314 HydrophobicContact CD1-CD2 4.04Å; F182-Y314 AromaticContact CD1-CE2 3.99Å; F182-Y314 HydrophobicContact CD1-CE2 3.99Å; F182-Y314 HydrophobicContact CE1-CD2 4.14Å; F182-Y314 AromaticContact CE1-CE2 3.9Å; F182-Y314 HydrophobicContact CE1-CE2 3.9Å; Y314-D316 VanDerWaalsContact C-N 3.33Å; Y314-D316 PolarHBondContact O-N 2.7Å; Y314-W317 AromaticContact CD2-CD1 3.85Å; Y314-W317 AromaticContact CE2-CD1 3.54Å; Y314-W317 WeakPolarHBondContact O-CB 3.39Å; Y314-W317 PolarHBondContact O-N 3.31Å; Y314-I318 HydrophobicContact CD1-CD1 3.61Å; Y314-I318 HydrophobicContact CD1-CG1 3.99Å; Y314-I318 HydrophobicContact CE1-CD1 3.53Å; Y314-I318 HydrophobicContact CE1-CG1 3.76Å; Y314-I318 WeakPolarHBondContact O-CG1 3.43Å; Y314-I318 PolarHBondContact O-N 3.16Å
315	S	95.2	Very high	93.3	Very high	58 Å²	58	53.9 Å²	53.9	41%	0.406	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-43.9	172.7	53.8	0	0	0	0	112.1	R313 W317 I318 F319	R313-S315 WeakPolarHBondContact CB-OG 3.45Å; R313-S315 PolarHBondContact O-N 3.31Å; S315-W317 VanDerWaalsContact C-N 3.31Å; S315-W317 PolarHBondContact O-N 2.83Å; S315-I318 PolarHBondContact O-N 3.28Å; S315-F319 WeakPolarHBondContact O-CB 3.32Å; S315-F319 PolarHBondContact O-N 3.02Å
316	D	94.8	Very high	93.8	Very high	21 Å²	21	54.6 Å²	54.6	11%	0.112	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-40.4	-179.6	-47.1	-33.1	0	0	0	109.3	I246 R313 Y314 F319 W320	I246-D316 HydrophobicContact CD1-CB 4.19Å; I246-D316 WeakPolarHBondContact CD1-O 3.32Å; R313-D316 VanDerWaalsContact CB-OD2 3.31Å; R313-D316 WeakPolarHBondContact CB-OD2 3.43Å; R313-D316 IonicContact CZ-OD1 3.91Å; R313-D316 PolarHBondContact N-OD2 2.97Å; R313-D316 VanDerWaalsContact N-OD2 3.1Å; R313-D316 IonicContact NE-OD1 3.05Å; R313-D316 PolarHBondContact NE-OD1 3.43Å; R313-D316 IonicContact NE-OD2 2.91Å; R313-D316 PolarHBondContact NE-OD2 3.25Å; R313-D316 IonicContact NH2-OD1 2.81Å; R313-D316 PolarHBondContact NH2-OD1 3.09Å; R313-D316 PolarHBondContact O-N 3.06Å; R313-D316 VanDerWaalsContact O-N 3.13Å; Y314-D316 VanDerWaalsContact C-N 3.33Å; Y314-D316 PolarHBondContact O-N 2.7Å; D316-F319 PolarHBondContact O-N 3.31Å; D316-W320 PolarHBondContact O-N 3.45Å
317	W	96.5	Very high	94.3	Very high	14 Å²	14	50.5 Å²	50.5	5%	0.053	24%	0.24	C	C	.	.	H	α-helix	trans	-56.4	-52.2	171.9	163.7	-103.7	0	0	0	112.7	L106 F180 F182 I246 C249 R313 Y314 S315 F319 K321	L106-W317 HydrophobicContact CB-CB 4.41Å; L106-W317 HydrophobicContact CD1-CE3 4.26Å; L106-W317 HydrophobicContact CD2-CB 4.22Å; L106-W317 HydrophobicContact CD2-CD2 4.43Å; L106-W317 HydrophobicContact CD2-CE3 3.79Å; F180-W317 HydrophobicContact CE2-CH2 4.16Å; F180-W317 HydrophobicContact CZ-CH2 4.19Å; F182-W317 AromaticContact CE1-CD1 3.86Å; F182-W317 AromaticContact CE1-CD2 3.99Å; F182-W317 HydrophobicContact CE1-CD2 3.99Å; F182-W317 AromaticContact CE1-CE2 3.85Å; F182-W317 AromaticContact CE1-CG 3.98Å; F182-W317 HydrophobicContact CE1-CG 3.98Å; F182-W317 HydrophobicContact CE1-CZ2 4.46Å; F182-W317 AromaticContact CE1-NE1 3.75Å; F182-W317 HydrophobicContact CZ-CD2 4.1Å; F182-W317 AromaticContact CZ-CE2 3.56Å; F182-W317 HydrophobicContact CZ-CG 4.49Å; F182-W317 HydrophobicContact CZ-CH2 4.44Å; F182-W317 AromaticContact CZ-CZ2 3.74Å; F182-W317 HydrophobicContact CZ-CZ2 3.74Å; F182-W317 AromaticContact CZ-NE1 3.68Å; I246-W317 HydrophobicContact CB-CE3 4.4Å; I246-W317 HydrophobicContact CG1-CE3 4.33Å; I246-W317 HydrophobicContact CG2-CE3 3.59Å; I246-W317 HydrophobicContact CG2-CZ3 3.9Å; C249-W317 HydrophobicContact CB-CH2 4.26Å; C249-W317 HydrophobicContact CB-CZ3 3.66Å; R313-W317 PolarHBondContact O-N 2.95Å; Y314-W317 AromaticContact CD2-CD1 3.85Å; Y314-W317 AromaticContact CE2-CD1 3.54Å; Y314-W317 WeakPolarHBondContact O-CB 3.39Å; Y314-W317 PolarHBondContact O-N 3.31Å; S315-W317 VanDerWaalsContact C-N 3.31Å; S315-W317 PolarHBondContact O-N 2.83Å; W317-F319 VanDerWaalsContact C-N 3.32Å; W317-F319 PolarHBondContact O-N 2.92Å; W317-K321 HydrophobicContact CD2-CB 4.43Å; W317-K321 HydrophobicContact CH2-CD 4.26Å; W317-K321 HydrophobicContact CH2-CG 4.4Å; W317-K321 HydrophobicContact CZ2-CD 3.62Å; W317-K321 HydrophobicContact CZ2-CG 4.22Å; W317-K321 WeakPolarHBondContact O-CB 3.31Å; W317-K321 PolarHBondContact O-N 3.45Å
318	I	96.3	Very high	94.8	Very high	72 Å²	72	46 Å²	46	37%	0.369	21%	0.208	S	C	.	.	H	α-helix	trans	-56.6	-51	179.9	-67.3	166.6	0	0	0	109.7	E101 Y314 S315 Q322	E101-I318 HydrophobicContact CG-CD1 4.47Å; Y314-I318 HydrophobicContact CD1-CD1 3.61Å; Y314-I318 HydrophobicContact CD1-CG1 3.99Å; Y314-I318 HydrophobicContact CE1-CD1 3.53Å; Y314-I318 HydrophobicContact CE1-CG1 3.76Å; Y314-I318 WeakPolarHBondContact O-CG1 3.43Å; Y314-I318 PolarHBondContact O-N 3.16Å; S315-I318 PolarHBondContact O-N 3.28Å; I318-Q322 WeakPolarHBondContact O-CB 3.42Å; I318-Q322 PolarHBondContact O-N 2.83Å
319	F	95.7	Very high	95.2	Very high	67 Å²	67	46.7 Å²	46.7	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-58.4	-60	-176.6	-178.8	-97.8	0	0	0	111.6	C220 W225 S315 D316 W317 K321 Q322 K323	C220-F319 WeakPolarHBondContact SG-CZ 3.17Å; W225-F319 HydrophobicContact CZ3-CZ 4.22Å; S315-F319 WeakPolarHBondContact O-CB 3.32Å; S315-F319 PolarHBondContact O-N 3.02Å; D316-F319 PolarHBondContact O-N 3.31Å; W317-F319 VanDerWaalsContact C-N 3.32Å; W317-F319 PolarHBondContact O-N 2.92Å; F319-K321 VanDerWaalsContact C-N 3.34Å; F319-K321 PolarHBondContact O-N 3.4Å; F319-Q322 WeakPolarHBondContact O-CB 3.3Å; F319-Q322 PolarHBondContact O-N 3.4Å; F319-Q322 VanDerWaalsContact O-N 3.16Å; F319-K323 HydrophobicContact CD1-CG 4.42Å; F319-K323 HydrophobicContact CE1-CG 4.03Å; F319-K323 HydrophobicContact CE2-CG 4.49Å; F319-K323 HydrophobicContact CZ-CD 4.45Å; F319-K323 HydrophobicContact CZ-CG 4.05Å; F319-K323 WeakPolarHBondContact O-CG 3.43Å; F319-K323 PolarHBondContact O-N 2.9Å
320	W	96.5	Very high	95.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.4	-29	-175	-76	111.9	0	0	0	113.6	A224 F235 Q239 R243 I246 W247 D316 K323 F324	A224-W320 HydrophobicContact CB-CH2 4.17Å; A224-W320 HydrophobicContact CB-CZ3 4.38Å; F235-W320 HydrophobicContact CE1-CH2 4.44Å; F235-W320 AromaticContact CE2-CH2 3.77Å; F235-W320 HydrophobicContact CE2-CH2 3.77Å; F235-W320 AromaticContact CE2-CZ2 3.7Å; F235-W320 HydrophobicContact CE2-CZ2 3.7Å; F235-W320 AromaticContact CZ-CH2 3.53Å; F235-W320 HydrophobicContact CZ-CH2 3.53Å; F235-W320 AromaticContact CZ-CZ2 3.96Å; F235-W320 HydrophobicContact CZ-CZ2 3.96Å; F235-W320 HydrophobicContact CZ-CZ3 4.48Å; Q239-W320 HydrophobicContact CB-CZ2 4.3Å; R243-W320 HydrophobicContact CB-CD2 3.76Å; R243-W320 HydrophobicContact CB-CE3 3.75Å; R243-W320 HydrophobicContact CB-CG 4.44Å; R243-W320 HydrophobicContact CB-CH2 4.04Å; R243-W320 HydrophobicContact CB-CZ2 4.04Å; R243-W320 HydrophobicContact CB-CZ3 3.9Å; R243-W320 HydrophobicContact CG-CD2 4.18Å; R243-W320 HydrophobicContact CG-CE3 3.65Å; R243-W320 HydrophobicContact CG-CH2 4.26Å; R243-W320 HydrophobicContact CG-CZ3 3.71Å; I246-W320 HydrophobicContact CB-CB 3.92Å; I246-W320 HydrophobicContact CD1-CB 3.83Å; I246-W320 HydrophobicContact CD1-CG 4.14Å; I246-W320 HydrophobicContact CG1-CB 4.49Å; I246-W320 HydrophobicContact CG2-CB 3.57Å; W247-W320 AromaticContact NE1-CE3 3.93Å; W247-W320 PolarHBondContact NE1-O 2.82Å; D316-W320 PolarHBondContact O-N 3.45Å; W320-K323 HydrophobicContact CE3-CB 4.22Å; W320-K323 PolarHBondContact O-N 3.03Å; W320-F324 WeakPolarHBondContact O-CB 3.27Å; W320-F324 PolarHBondContact O-N 2.72Å
321	K	96.3	Very high	95.7	Very high	78 Å²	78	45.3 Å²	45.3	34%	0.339	21%	0.209	S	C	.	.	H	α-helix	trans	-62.9	-45.9	170.9	177.9	-164	176.6	-169.8	0	110.8	I246 W317 F319 F324 Y325	I246-K321 HydrophobicContact CG2-CB 4.49Å; W317-K321 HydrophobicContact CD2-CB 4.43Å; W317-K321 HydrophobicContact CH2-CD 4.26Å; W317-K321 HydrophobicContact CH2-CG 4.4Å; W317-K321 HydrophobicContact CZ2-CD 3.62Å; W317-K321 HydrophobicContact CZ2-CG 4.22Å; W317-K321 WeakPolarHBondContact O-CB 3.31Å; W317-K321 PolarHBondContact O-N 3.45Å; F319-K321 VanDerWaalsContact C-N 3.34Å; F319-K321 PolarHBondContact O-N 3.4Å; K321-F324 WeakPolarHBondContact O-CB 3.33Å; K321-F324 PolarHBondContact O-N 3.25Å; K321-Y325 HydrophobicContact CD-CE2 4.3Å; K321-Y325 HydrophobicContact CG-CD2 4.03Å; K321-Y325 HydrophobicContact CG-CE2 3.6Å; K321-Y325 WeakPolarHBondContact O-CD2 3.26Å; K321-Y325 PolarHBondContact O-N 2.81Å
322	Q	95.7	Very high	95.7	Very high	113 Å²	113	45.7 Å²	45.7	53%	0.528	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-47.5	177.4	-177.9	178.2	-4.4	0	0	110.6	I318 F319 F324 Y325 L326	I318-Q322 WeakPolarHBondContact O-CB 3.42Å; I318-Q322 PolarHBondContact O-N 2.83Å; F319-Q322 WeakPolarHBondContact O-CB 3.3Å; F319-Q322 PolarHBondContact O-N 3.4Å; F319-Q322 VanDerWaalsContact O-N 3.16Å; Q322-F324 VanDerWaalsContact C-N 3.32Å; Q322-F324 PolarHBondContact O-N 3.42Å; Q322-Y325 PolarHBondContact O-N 3.29Å; Q322-Y325 VanDerWaalsContact O-N 3.16Å; Q322-L326 HydrophobicContact CG-CD1 4.5Å; Q322-L326 PolarHBondContact O-N 2.95Å; Q322-L326 VanDerWaalsContact O-N 3.08Å
323	K	95.5	Very high	95.7	Very high	34 Å²	34	46.6 Å²	46.6	15%	0.148	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-37.1	177.6	-60.9	-45.1	-171.3	169.1	0	112.9	W225 F319 W320 Y325 L326 W327	W225-K323 HydrophobicContact CB-CB 3.95Å; W225-K323 HydrophobicContact CD2-CB 4.15Å; W225-K323 HydrophobicContact CD2-CD 3.54Å; W225-K323 HydrophobicContact CD2-CG 3.92Å; W225-K323 HydrophobicContact CE3-CB 4.11Å; W225-K323 HydrophobicContact CE3-CD 3.67Å; W225-K323 HydrophobicContact CE3-CG 3.66Å; W225-K323 HydrophobicContact CG-CB 4.09Å; W225-K323 HydrophobicContact CG-CD 4.06Å; W225-K323 HydrophobicContact CG-CG 4.36Å; W225-K323 HydrophobicContact CH2-CD 4.15Å; W225-K323 VanDerWaalsContact CH2-CE 3.46Å; W225-K323 VanDerWaalsContact CH2-NZ 3.32Å; W225-K323 HydrophobicContact CZ2-CD 4.02Å; W225-K323 HydrophobicContact CZ3-CD 3.98Å; W225-K323 HydrophobicContact CZ3-CG 4.13Å; F319-K323 HydrophobicContact CD1-CG 4.42Å; F319-K323 HydrophobicContact CE1-CG 4.03Å; F319-K323 HydrophobicContact CE2-CG 4.49Å; F319-K323 HydrophobicContact CZ-CD 4.45Å; F319-K323 HydrophobicContact CZ-CG 4.05Å; F319-K323 WeakPolarHBondContact O-CG 3.43Å; F319-K323 PolarHBondContact O-N 2.9Å; W320-K323 HydrophobicContact CE3-CB 4.22Å; W320-K323 PolarHBondContact O-N 3.03Å; K323-Y325 VanDerWaalsContact C-N 3.35Å; K323-Y325 PolarHBondContact O-N 3.45Å; K323-L326 HydrophobicContact CD-CD1 4.08Å; K323-L326 PolarHBondContact O-N 3.34Å; K323-W327 WeakPolarHBondContact O-CB 3.49Å; K323-W327 PolarHBondContact O-N 2.69Å
324	F	96.6	Very high	95.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-43.9	173.7	175.6	-97.2	0	0	0	112.7	W247 C250 R252 Y279 W320 K321 Q322 W327 Q328	W247-F324 HydrophobicContact CB-CD2 4.01Å; W247-F324 HydrophobicContact CB-CE2 4.37Å; W247-F324 HydrophobicContact CD2-CB 4.32Å; W247-F324 AromaticContact CD2-CD2 3.55Å; W247-F324 HydrophobicContact CD2-CD2 3.55Å; W247-F324 HydrophobicContact CD2-CE2 4.39Å; W247-F324 HydrophobicContact CD2-CG 4.42Å; W247-F324 AromaticContact CE2-CD2 3.97Å; W247-F324 AromaticContact CE3-CD2 3.8Å; W247-F324 HydrophobicContact CE3-CD2 3.8Å; W247-F324 HydrophobicContact CE3-CE2 4.32Å; W247-F324 HydrophobicContact CG-CB 4.29Å; W247-F324 AromaticContact CG-CD2 3.64Å; W247-F324 HydrophobicContact CG-CD2 3.64Å; W247-F324 HydrophobicContact CG-CE2 4.42Å; W247-F324 HydrophobicContact CG-CG 4.37Å; W247-F324 HydrophobicContact CZ2-CB 4.46Å; W247-F324 HydrophobicContact CZ3-CD2 4.4Å; C250-F324 HydrophobicContact CB-CD1 3.33Å; C250-F324 HydrophobicContact CB-CD2 4.18Å; C250-F324 HydrophobicContact CB-CE1 3.28Å; C250-F324 HydrophobicContact CB-CE2 4.13Å; C250-F324 HydrophobicContact CB-CG 3.78Å; C250-F324 HydrophobicContact CB-CZ 3.67Å; R252-F324 HydrophobicContact CG-CZ 4.42Å; Y279-F324 HydrophobicContact CD2-CE2 4.11Å; Y279-F324 HydrophobicContact CE2-CE2 4.03Å; W320-F324 WeakPolarHBondContact O-CB 3.27Å; W320-F324 PolarHBondContact O-N 2.72Å; K321-F324 WeakPolarHBondContact O-CB 3.33Å; K321-F324 PolarHBondContact O-N 3.25Å; Q322-F324 VanDerWaalsContact C-N 3.32Å; Q322-F324 PolarHBondContact O-N 3.42Å; F324-W327 HydrophobicContact CD2-CE3 4.06Å; F324-W327 HydrophobicContact CD2-CZ3 4.28Å; F324-W327 HydrophobicContact CE2-CE3 4.15Å; F324-W327 AromaticContact CE2-CZ3 3.92Å; F324-W327 HydrophobicContact CE2-CZ3 3.92Å; F324-W327 PolarHBondContact O-N 2.72Å; F324-Q328 HydrophobicContact CD1-CG 4.36Å; F324-Q328 HydrophobicContact CE1-CG 3.97Å; F324-Q328 HydrophobicContact CZ-CG 4.1Å; F324-Q328 WeakPolarHBondContact O-CG 3.25Å; F324-Q328 PolarHBondContact O-N 2.76Å
325	Y	95.7	Very high	95.6	Very high	94 Å²	94	39.5 Å²	39.5	37%	0.369	19%	0.191	S	C	.	.	H	α-helix	trans	-72.6	-34.5	180	-71.3	-62	0	0	0	112.6	K321 Q322 K323 Q328 Q329	K321-Y325 HydrophobicContact CD-CE2 4.3Å; K321-Y325 HydrophobicContact CG-CD2 4.03Å; K321-Y325 HydrophobicContact CG-CE2 3.6Å; K321-Y325 WeakPolarHBondContact O-CD2 3.26Å; K321-Y325 PolarHBondContact O-N 2.81Å; Q322-Y325 PolarHBondContact O-N 3.29Å; Q322-Y325 VanDerWaalsContact O-N 3.16Å; K323-Y325 VanDerWaalsContact C-N 3.35Å; K323-Y325 PolarHBondContact O-N 3.45Å; Y325-Q328 PolarHBondContact O-N 3.18Å; Y325-Q329 WeakPolarHBondContact O-CB 3.35Å; Y325-Q329 PolarHBondContact O-N 3.33Å
326	L	95.5	Very high	95.5	Very high	60 Å²	60	40.1 Å²	40.1	31%	0.314	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-46.9	170.1	-68	175.1	0	0	0	111.1	Q322 K323 Q328 Q329 A330	Q322-L326 HydrophobicContact CG-CD1 4.5Å; Q322-L326 PolarHBondContact O-N 2.95Å; Q322-L326 VanDerWaalsContact O-N 3.08Å; K323-L326 HydrophobicContact CD-CD1 4.08Å; K323-L326 PolarHBondContact O-N 3.34Å; L326-Q328 PolarHBondContact O-N 2.96Å; L326-Q329 PolarHBondContact O-N 3.39Å; L326-A330 WeakPolarHBondContact O-CB 3.4Å; L326-A330 PolarHBondContact O-N 3.48Å
327	W	96.2	Very high	95.5	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-44.9	175.6	171.6	78.4	0	0	0	112.4	W225 W247 C275 E278 Y279 K323 F324 Q329 A330 W331	W225-W327 HydrophobicContact CB-CB 4.17Å; W225-W327 WeakPolarHBondContact O-CA 3.5Å; W225-W327 VanDerWaalsContact O-CB 3.31Å; W225-W327 WeakPolarHBondContact O-CB 3.49Å; W247-W327 HydrophobicContact CE3-CE3 4.37Å; W247-W327 HydrophobicContact CH2-CB 3.87Å; W247-W327 AromaticContact CH2-CD1 3.92Å; W247-W327 AromaticContact CH2-CD2 3.54Å; W247-W327 HydrophobicContact CH2-CD2 3.54Å; W247-W327 AromaticContact CH2-CE3 3.96Å; W247-W327 HydrophobicContact CH2-CE3 3.96Å; W247-W327 AromaticContact CH2-CG 3.48Å; W247-W327 HydrophobicContact CH2-CG 3.48Å; W247-W327 VanDerWaalsContact CH2-CG 3.48Å; W247-W327 HydrophobicContact CZ2-CB 4.28Å; W247-W327 HydrophobicContact CZ2-CG 4.35Å; W247-W327 AromaticContact CZ3-CD2 3.54Å; W247-W327 HydrophobicContact CZ3-CD2 3.54Å; W247-W327 AromaticContact CZ3-CE2 3.8Å; W247-W327 AromaticContact CZ3-CE3 3.68Å; W247-W327 HydrophobicContact CZ3-CE3 3.68Å; W247-W327 HydrophobicContact CZ3-CG 4.02Å; W247-W327 HydrophobicContact CZ3-CH2 4.41Å; W247-W327 HydrophobicContact CZ3-CZ2 4.24Å; W247-W327 HydrophobicContact CZ3-CZ3 4.13Å; C275-W327 WeakPolarHBondContact O-CH2 3.48Å; C275-W327 WeakPolarHBondContact SG-CH2 3.41Å; E278-W327 HydrophobicContact CB-CZ2 4.2Å; E278-W327 HydrophobicContact CG-CZ2 4.35Å; E278-W327 PolarHBondContact OE2-NE1 2.97Å; Y279-W327 HydrophobicContact CD2-CH2 4.44Å; Y279-W327 HydrophobicContact CD2-CZ3 4.46Å; K323-W327 WeakPolarHBondContact O-CB 3.49Å; K323-W327 PolarHBondContact O-N 2.69Å; F324-W327 HydrophobicContact CD2-CE3 4.06Å; F324-W327 HydrophobicContact CD2-CZ3 4.28Å; F324-W327 HydrophobicContact CE2-CE3 4.15Å; F324-W327 AromaticContact CE2-CZ3 3.92Å; F324-W327 HydrophobicContact CE2-CZ3 3.92Å; F324-W327 PolarHBondContact O-N 2.72Å; W327-Q329 PolarHBondContact O-N 2.97Å; W327-A330 PolarHBondContact O-N 3.42Å; W327-W331 AromaticContact CD1-CD1 4Å; W327-W331 AromaticContact CD2-CD1 3.92Å; W327-W331 AromaticContact CE2-CD1 3.32Å; W327-W331 AromaticContact CE2-NE1 3.3Å; W327-W331 VanDerWaalsContact CE2-NE1 3.3Å; W327-W331 AromaticContact CZ2-CD1 3.45Å; W327-W331 VanDerWaalsContact CZ2-CD1 3.45Å; W327-W331 AromaticContact CZ2-NE1 3.3Å; W327-W331 VanDerWaalsContact CZ2-NE1 3.3Å; W327-W331 AromaticContact NE1-CD1 3.43Å; W327-W331 AromaticContact NE1-NE1 3.16Å; W327-W331 VanDerWaalsContact NE1-NE1 3.16Å; W327-W331 PolarHBondContact O-N 3.34Å
328	Q	94.8	Very high	95.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-42.8	174.6	-79.7	-166.9	-16.8	0	0	112.5	S251 F324 Y325 L326 W331 I332	S251-Q328 PolarHBondContact O-NE2 3.2Å; F324-Q328 HydrophobicContact CD1-CG 4.36Å; F324-Q328 HydrophobicContact CE1-CG 3.97Å; F324-Q328 HydrophobicContact CZ-CG 4.1Å; F324-Q328 WeakPolarHBondContact O-CG 3.25Å; F324-Q328 PolarHBondContact O-N 2.76Å; Y325-Q328 PolarHBondContact O-N 3.18Å; L326-Q328 PolarHBondContact O-N 2.96Å; Q328-W331 PolarHBondContact O-N 3.2Å; Q328-I332 WeakPolarHBondContact O-CG1 3.48Å; Q328-I332 PolarHBondContact O-N 2.98Å
329	Q	94.8	Very high	95.1	Very high	121 Å²	121	41 Å²	41	57%	0.565	19%	0.192	S	C	*	.	H	α-helix	trans	-65.6	-41.6	179.5	-175.9	174.9	-24.7	0	0	111.4	Y325 L326 W327 W331 I332 V333	Y325-Q329 WeakPolarHBondContact O-CB 3.35Å; Y325-Q329 PolarHBondContact O-N 3.33Å; L326-Q329 PolarHBondContact O-N 3.39Å; W327-Q329 PolarHBondContact O-N 2.97Å; Q329-W331 VanDerWaalsContact C-N 3.31Å; Q329-W331 PolarHBondContact O-N 3.24Å; Q329-I332 WeakPolarHBondContact O-CB 3.18Å; Q329-I332 PolarHBondContact O-N 3.38Å; Q329-I332 VanDerWaalsContact O-N 3.14Å; Q329-V333 WeakPolarHBondContact O-CG2 3.36Å; Q329-V333 PolarHBondContact O-N 3.29Å
330	A	95.2	Very high	94.9	Very high	4 Å²	4	43 Å²	43	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-40.4	174.6	0	0	0	0	0	111.7	P227 L326 W327 I332 V333 R334 M372	P227-A330 HydrophobicContact CG-CB 3.52Å; L326-A330 WeakPolarHBondContact O-CB 3.4Å; L326-A330 PolarHBondContact O-N 3.48Å; W327-A330 PolarHBondContact O-N 3.42Å; A330-I332 PolarHBondContact O-N 3.11Å; A330-V333 PolarHBondContact O-N 2.85Å; A330-R334 WeakPolarHBondContact O-CB 3.31Å; A330-R334 PolarHBondContact O-N 3.18Å; A330-M372 HydrophobicContact CB-SD 3.96Å
331	W	95.8	Very high	94.6	Very high	11 Å²	11	46.6 Å²	46.6	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-39.1	172.2	-92.4	112	0	0	0	113.6	P227 R228 L257 P274 C275 E278 W327 Q328 Q329 R334 M335	P227-W331 HydrophobicContact CB-CD2 3.99Å; P227-W331 HydrophobicContact CB-CG 4.31Å; P227-W331 HydrophobicContact CB-CH2 4.47Å; P227-W331 HydrophobicContact CB-CZ2 3.95Å; P227-W331 HydrophobicContact CG-CD2 4.33Å; P227-W331 HydrophobicContact CG-CG 4.15Å; R228-W331 HydrophobicContact CG-CH2 4.37Å; L257-W331 HydrophobicContact CD1-CB 4.28Å; P274-W331 HydrophobicContact CB-CE3 4.4Å; P274-W331 HydrophobicContact CB-CH2 3.66Å; P274-W331 HydrophobicContact CB-CZ3 3.53Å; P274-W331 HydrophobicContact CG-CE3 4.18Å; P274-W331 HydrophobicContact CG-CH2 4.3Å; P274-W331 HydrophobicContact CG-CZ3 3.64Å; C275-W331 HydrophobicContact CB-CB 4.03Å; C275-W331 HydrophobicContact CB-CD2 3.82Å; C275-W331 HydrophobicContact CB-CE3 4.3Å; C275-W331 HydrophobicContact CB-CG 3.69Å; E278-W331 HydrophobicContact CB-CZ2 4.03Å; E278-W331 VanDerWaalsContact OE2-CE2 3.24Å; E278-W331 VanDerWaalsContact OE2-CZ2 3.25Å; E278-W331 WeakPolarHBondContact OE2-CZ2 3.46Å; E278-W331 PolarHBondContact OE2-NE1 2.8Å; W327-W331 AromaticContact CD1-CD1 4Å; W327-W331 AromaticContact CD2-CD1 3.92Å; W327-W331 AromaticContact CE2-CD1 3.32Å; W327-W331 AromaticContact CE2-NE1 3.3Å; W327-W331 VanDerWaalsContact CE2-NE1 3.3Å; W327-W331 AromaticContact CZ2-CD1 3.45Å; W327-W331 VanDerWaalsContact CZ2-CD1 3.45Å; W327-W331 AromaticContact CZ2-NE1 3.3Å; W327-W331 VanDerWaalsContact CZ2-NE1 3.3Å; W327-W331 AromaticContact NE1-CD1 3.43Å; W327-W331 AromaticContact NE1-NE1 3.16Å; W327-W331 VanDerWaalsContact NE1-NE1 3.16Å; W327-W331 PolarHBondContact O-N 3.34Å; Q328-W331 PolarHBondContact O-N 3.2Å; Q329-W331 VanDerWaalsContact C-N 3.31Å; Q329-W331 PolarHBondContact O-N 3.24Å; W331-R334 PolarHBondContact O-N 2.92Å; W331-M335 HydrophobicContact CE3-CG 4.48Å; W331-M335 WeakPolarHBondContact O-CB 3.18Å; W331-M335 WeakPolarHBondContact O-CG 3.35Å; W331-M335 PolarHBondContact O-N 3.23Å
332	I	94.9	Very high	94.3	Very high	15 Å²	15	44.9 Å²	44.9	8%	0.077	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-48.9	175.9	-69.8	162.2	0	0	0	110.3	Q256 L257 A260 Q328 Q329 A330 M335 N336	Q256-I332 HydrophobicContact CB-CD1 3.73Å; L257-I332 HydrophobicContact CB-CD1 4.21Å; L257-I332 HydrophobicContact CB-CG1 4.1Å; L257-I332 HydrophobicContact CD1-CD1 4.49Å; L257-I332 HydrophobicContact CD1-CG1 3.77Å; A260-I332 HydrophobicContact CB-CG2 4.23Å; Q328-I332 WeakPolarHBondContact O-CG1 3.48Å; Q328-I332 PolarHBondContact O-N 2.98Å; Q329-I332 WeakPolarHBondContact O-CB 3.18Å; Q329-I332 PolarHBondContact O-N 3.38Å; Q329-I332 VanDerWaalsContact O-N 3.14Å; A330-I332 PolarHBondContact O-N 3.11Å; I332-M335 PolarHBondContact O-N 3.32Å; I332-N336 VanDerWaalsContact O-CG 3.27Å; I332-N336 PolarHBondContact O-N 3.01Å; I332-N336 PolarHBondContact O-ND2 3.39Å
333	V	95.1	Very high	93.8	Very high	41 Å²	41	41.8 Å²	41.8	25%	0.248	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-49.9	178.2	173.8	0	0	0	0	110.1	Q329 A330 M335 N336 H337	Q329-V333 WeakPolarHBondContact O-CG2 3.36Å; Q329-V333 PolarHBondContact O-N 3.29Å; A330-V333 PolarHBondContact O-N 2.85Å; V333-M335 PolarHBondContact O-N 3.02Å; V333-N336 PolarHBondContact O-N 2.73Å; V333-N336 VanDerWaalsContact O-N 3.16Å; V333-H337 PolarHBondContact O-N 3.16Å
334	R	95.4	Very high	93.2	Very high	21 Å²	21	43.9 Å²	43.9	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-42.4	179.1	-172.4	179.1	172.8	76.3	18.2	113	R228 A330 W331 H337 K338 E364 I368	R228-R334 VanDerWaalsContact NE-NH2 3.11Å; A330-R334 WeakPolarHBondContact O-CB 3.31Å; A330-R334 PolarHBondContact O-N 3.18Å; W331-R334 PolarHBondContact O-N 2.92Å; R334-H337 PolarHBondContact O-N 3.35Å; R334-K338 PolarHBondContact O-N 3.36Å; R334-E364 IonicContact CZ-OE2 3.96Å; R334-E364 IonicContact NH1-OE1 3.58Å; R334-E364 IonicContact NH1-OE2 2.9Å; R334-E364 PolarHBondContact NH1-OE2 3.24Å; R334-E364 IonicContact NH2-OE2 3.54Å; R334-E364 PolarHBondContact NH2-OE2 3.14Å; R334-I368 HydrophobicContact CG-CD1 4.33Å
335	M	94.4	Very high	92.4	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-39.9	176.7	-76	-170.7	-71.3	0	0	112	L257 A260 F261 L264 P274 W331 I332 V333 T339	L257-M335 HydrophobicContact CD1-CE 3.38Å; L257-M335 HydrophobicContact CG-CE 4.13Å; A260-M335 HydrophobicContact CB-CB 4.12Å; A260-M335 HydrophobicContact CB-CE 3.95Å; F261-M335 HydrophobicContact CB-SD 3.91Å; F261-M335 HydrophobicContact CD2-SD 4.21Å; L264-M335 HydrophobicContact CD2-CB 4.31Å; L264-M335 HydrophobicContact CD2-CG 3.98Å; L264-M335 HydrophobicContact CD2-SD 4.37Å; P274-M335 HydrophobicContact CG-CG 4.43Å; P274-M335 HydrophobicContact CG-SD 4.42Å; W331-M335 HydrophobicContact CE3-CG 4.48Å; W331-M335 WeakPolarHBondContact O-CB 3.18Å; W331-M335 WeakPolarHBondContact O-CG 3.35Å; W331-M335 PolarHBondContact O-N 3.23Å; I332-M335 PolarHBondContact O-N 3.32Å; V333-M335 PolarHBondContact O-N 3.02Å; M335-T339 WeakPolarHBondContact O-CB 3.47Å; M335-T339 PolarHBondContact O-N 2.76Å; M335-T339 PolarHBondContact O-OG1 3.34Å
336	N	94	Very high	91.2	Very high	70 Å²	70	47 Å²	47	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-65.2	-42.6	175.5	-68.7	-27.4	0	0	0	111.2	A260 I332 V333 T339 E340	A260-N336 WeakPolarHBondContact CB-OD1 3.23Å; I332-N336 VanDerWaalsContact O-CG 3.27Å; I332-N336 PolarHBondContact O-N 3.01Å; I332-N336 PolarHBondContact O-ND2 3.39Å; V333-N336 PolarHBondContact O-N 2.73Å; V333-N336 VanDerWaalsContact O-N 3.16Å; N336-T339 VanDerWaalsContact O-CB 3.3Å; N336-T339 WeakPolarHBondContact O-CB 3.49Å; N336-T339 PolarHBondContact O-N 3.01Å; N336-E340 PolarHBondContact O-N 2.73Å
337	H	93.7	Very high	89.8	Confident	46 Å²	46	50.9 Å²	50.9	21%	0.213	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-50	175.7	-174.5	-110.3	0	0	0	111.8	V333 R334 T339 E340 L341 E364	V333-H337 PolarHBondContact O-N 3.16Å; R334-H337 PolarHBondContact O-N 3.35Å; H337-T339 PolarHBondContact O-N 3.16Å; H337-E340 WeakPolarHBondContact O-CB 3.34Å; H337-E340 PolarHBondContact O-N 2.75Å; H337-L341 WeakPolarHBondContact O-CG 3.49Å; H337-L341 PolarHBondContact O-N 3.35Å; H337-E364 IonicContact CE1-OE1 3.59Å; H337-E364 IonicContact ND1-OE1 2.78Å; H337-E364 PolarHBondContact ND1-OE1 3.43Å
338	K	92.8	Very high	88	Confident	63 Å²	63	54.5 Å²	54.5	27%	0.274	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-34.6	175.3	-171.8	67.1	175.9	-178.1	0	111.8	L264 R334 M342 D357	L264-K338 HydrophobicContact CD1-CB 4.17Å; L264-K338 HydrophobicContact CD1-CG 4.02Å; R334-K338 PolarHBondContact O-N 3.36Å; K338-M342 HydrophobicContact CD-CG 4.46Å; K338-M342 HydrophobicContact CG-CG 4.36Å; K338-M342 WeakPolarHBondContact O-CB 3.42Å; K338-M342 WeakPolarHBondContact O-CG 3.11Å; K338-M342 PolarHBondContact O-N 2.65Å; K338-D357 IonicContact NZ-OD2 2.77Å
339	T	92.1	Very high	86	Confident	17 Å²	17	57.7 Å²	57.7	10%	0.104	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-47.1	173.7	-56.6	0	0	0	0	110.4	H263 L264 V267 M335 N336 H337 M342 T343	H263-T339 HydrophobicContact CB-CG2 4.1Å; L264-T339 WeakPolarHBondContact CA-OG1 3.44Å; V267-T339 HydrophobicContact CG1-CG2 3.72Å; V267-T339 HydrophobicContact CG2-CG2 3.98Å; M335-T339 WeakPolarHBondContact O-CB 3.47Å; M335-T339 PolarHBondContact O-N 2.76Å; M335-T339 PolarHBondContact O-OG1 3.34Å; N336-T339 VanDerWaalsContact O-CB 3.3Å; N336-T339 WeakPolarHBondContact O-CB 3.49Å; N336-T339 PolarHBondContact O-N 3.01Å; H337-T339 PolarHBondContact O-N 3.16Å; T339-M342 PolarHBondContact O-N 3.14Å; T339-T343 WeakPolarHBondContact O-CG2 3.49Å; T339-T343 PolarHBondContact O-N 3.09Å; T339-T343 PolarHBondContact O-OG1 3.26Å
340	E	92	Very high	83.7	Confident	109 Å²	109	58.4 Å²	58.4	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-45.5	178.1	-175.9	166.4	-166.6	0	0	112.4	N336 H337 M342 T343 N344	N336-E340 PolarHBondContact O-N 2.73Å; H337-E340 WeakPolarHBondContact O-CB 3.34Å; H337-E340 PolarHBondContact O-N 2.75Å; E340-M342 PolarHBondContact O-N 3.19Å; E340-T343 VanDerWaalsContact CA-OG1 3.29Å; E340-T343 WeakPolarHBondContact CA-OG1 3.3Å; E340-T343 PolarHBondContact O-N 3.14Å; E340-T343 PolarHBondContact O-OG1 2.96Å; E340-N344 WeakPolarHBondContact O-CB 3.42Å; E340-N344 PolarHBondContact O-N 3.33Å; E340-N344 PolarHBondContact O-ND2 2.98Å
341	L	90.9	Very high	81	Confident	76 Å²	76	64.7 Å²	64.7	40%	0.398	34%	0.337	S	S	.	.	H	α-helix	trans	-59.4	-46.4	175.4	-68.5	177.7	0	0	0	112.3	H337 N344 K345	H337-L341 WeakPolarHBondContact O-CG 3.49Å; H337-L341 PolarHBondContact O-N 3.35Å; L341-N344 PolarHBondContact O-N 3.01Å; L341-K345 WeakPolarHBondContact O-CB 3.37Å; L341-K345 PolarHBondContact O-N 3.44Å
342	M	88.2	Confident	78	Confident	41 Å²	41	70.7 Å²	70.7	20%	0.202	37%	0.371	C	S	.	.	H	α-helix	trans	-65.2	-39.1	177.6	-68.4	-76.7	-72.5	0	0	111.4	V267 K338 T339 E340 N346	V267-M342 HydrophobicContact CB-CB 4.3Å; V267-M342 HydrophobicContact CG2-CB 3.86Å; V267-M342 HydrophobicContact CG2-CG 4.49Å; K338-M342 HydrophobicContact CD-CG 4.46Å; K338-M342 HydrophobicContact CG-CG 4.36Å; K338-M342 WeakPolarHBondContact O-CB 3.42Å; K338-M342 WeakPolarHBondContact O-CG 3.11Å; K338-M342 PolarHBondContact O-N 2.65Å; T339-M342 PolarHBondContact O-N 3.14Å; E340-M342 PolarHBondContact O-N 3.19Å; M342-N346 VanDerWaalsContact O-CB 3.32Å; M342-N346 WeakPolarHBondContact O-CB 3.4Å; M342-N346 PolarHBondContact O-N 2.84Å; M342-N346 PolarHBondContact O-ND2 3.12Å
343	T	86.4	Confident	75.1	Confident	49 Å²	49	76.8 Å²	76.8	30%	0.301	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-40.8	174.1	50.6	0	0	0	0	112.2	V267 T339 E340 N346 M347	V267-T343 HydrophobicContact CB-CG2 4.2Å; V267-T343 HydrophobicContact CG1-CG2 3.35Å; T339-T343 WeakPolarHBondContact O-CG2 3.49Å; T339-T343 PolarHBondContact O-N 3.09Å; T339-T343 PolarHBondContact O-OG1 3.26Å; E340-T343 VanDerWaalsContact CA-OG1 3.29Å; E340-T343 WeakPolarHBondContact CA-OG1 3.3Å; E340-T343 PolarHBondContact O-N 3.14Å; E340-T343 PolarHBondContact O-OG1 2.96Å; T343-N346 PolarHBondContact O-N 3.33Å; T343-M347 WeakPolarHBondContact O-CG 3.41Å; T343-M347 PolarHBondContact O-N 3.44Å
344	N	83.1	Confident	72.1	Confident	78 Å²	78	81.6 Å²	81.6	42%	0.417	43%	0.428	S	S	.	.	H	α-helix	trans	-71.4	-37.6	-179.9	-68.1	-15.4	0	0	0	111.5	E340 L341 M347 S348	E340-N344 WeakPolarHBondContact O-CB 3.42Å; E340-N344 PolarHBondContact O-N 3.33Å; E340-N344 PolarHBondContact O-ND2 2.98Å; L341-N344 PolarHBondContact O-N 3.01Å; N344-M347 PolarHBondContact O-N 3.06Å; N344-S348 WeakPolarHBondContact O-CB 3.45Å; N344-S348 PolarHBondContact O-N 3.42Å; N344-S348 PolarHBondContact O-OG 3.44Å
345	K	79.4	Confident	69	Low	77 Å²	77	88 Å²	88	34%	0.335	46%	0.464	S	S	.	.	H	α-helix	trans	-64.2	-45.9	172.2	-171.3	173.1	-178.1	175.3	0	111.1	L341 M347 S348 N349	L341-K345 WeakPolarHBondContact O-CB 3.37Å; L341-K345 PolarHBondContact O-N 3.44Å; K345-M347 PolarHBondContact O-N 3.13Å; K345-S348 PolarHBondContact O-N 3.05Å; K345-N349 WeakPolarHBondContact O-CB 3.28Å; K345-N349 PolarHBondContact O-N 3.49Å; K345-N349 PolarHBondContact O-OD1 2.99Å
346	N	71.2	Confident	66	Low	81 Å²	81	96.8 Å²	96.8	43%	0.433	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-27.2	175.6	-70	-11.1	0	0	0	113.1	V267 M342 T343	V267-N346 PolarHBondContact O-ND2 3.15Å; M342-N346 VanDerWaalsContact O-CB 3.32Å; M342-N346 WeakPolarHBondContact O-CB 3.4Å; M342-N346 PolarHBondContact O-N 2.84Å; M342-N346 PolarHBondContact O-ND2 3.12Å; T343-N346 PolarHBondContact O-N 3.33Å
347	M	65.6	Low	63.1	Low	142 Å²	142	98.4 Å²	98.4	70%	0.7	51%	0.513	S	S	*	.	H	α-helix	trans	-77.3	-33.4	172.4	-69.7	-70.1	140.5	0	0	112.4	T343 N344 K345	T343-M347 WeakPolarHBondContact O-CG 3.41Å; T343-M347 PolarHBondContact O-N 3.44Å; N344-M347 PolarHBondContact O-N 3.06Å; K345-M347 PolarHBondContact O-N 3.13Å
348	S	58.9	Low	60.2	Low	78 Å²	78	102.5 Å²	102.5	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-82	-38.7	-178.4	-54	0	0	0	0	112.4	N344 K345 N350 N351	N344-S348 WeakPolarHBondContact O-CB 3.45Å; N344-S348 PolarHBondContact O-N 3.42Å; N344-S348 PolarHBondContact O-OG 3.44Å; K345-S348 PolarHBondContact O-N 3.05Å; S348-N350 PolarHBondContact O-N 3.43Å; S348-N351 PolarHBondContact O-N 3.36Å; S348-N351 VanDerWaalsContact O-O 3.12Å
349	N	51.6	Low	57.4	Low	69 Å²	69	107.7 Å²	107.7	37%	0.369	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.2	6	177.2	-76.1	31.5	0	0	0	113.9	K345 N351	K345-N349 WeakPolarHBondContact O-CB 3.28Å; K345-N349 PolarHBondContact O-N 3.49Å; K345-N349 PolarHBondContact O-OD1 2.99Å; N349-N351 PolarHBondContact O-N 3.36Å
350	N	47.8	Very low	54.6	Low	136 Å²	136	113.4 Å²	113.4	73%	0.727	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-6.3	155.7	-88.9	-14	0	0	0	112.2	S348	S348-N350 PolarHBondContact O-N 3.43Å
351	N	37.9	Very low	52.3	Low	135 Å²	135	113.1 Å²	113.1	72%	0.722	59%	0.593	S	S	*	*	S	Bend	trans	-133	110.6	159.6	-70	-42.8	0	0	0	109.1	S348 N349	S348-N351 PolarHBondContact O-N 3.36Å; S348-N351 VanDerWaalsContact O-O 3.12Å; N349-N351 PolarHBondContact O-N 3.36Å
352	N	33.1	Very low	49.9	Very low	138 Å²	138	117.5 Å²	117.5	74%	0.738	61%	0.612	S	S	*	*			trans	76.6	128.9	170.3	-57.3	-18.1	0	0	0	118.2
353	D	32.7	Very low	47.7	Very low	143 Å²	143	123.2 Å²	123.2	77%	0.765	64%	0.635	S	S	*	*			trans	-67.6	139.7	166.2	-63.4	-50.6	0	0	0	110.1
354	D	33.5	Very low	45.8	Very low	142 Å²	142	122.1 Å²	122.1	76%	0.759	63%	0.627	S	S	*	*			trans	-171.8	133.2	139.4	-88.9	-29.2	0	0	0	110.3
355	D	30	Very low	43.6	Very low	156 Å²	156	120.2 Å²	120.2	83%	0.834	62%	0.619	S	S	*	*			trans	-92.7	108.2	179.8	-79.2	-46.4	0	0	0	110.3
356	E	32	Very low	42	Very low	186 Å²	186	123.2 Å²	123.2	87%	0.869	63%	0.634	S	S	*	*			trans	-147.9	105.2	157.2	-70.3	-167.8	169	0	0	108.8
357	D	32.9	Very low	41	Very low	104 Å²	104	125.3 Å²	125.3	56%	0.556	64%	0.641	S	S	*	*			trans	-141.1	77.8	176.7	-145.6	13.5	0	0	0	108.5	K338	K338-D357 IonicContact NZ-OD2 2.77Å
358	D	32.8	Very low	40	Very low	133 Å²	133	119.4 Å²	119.4	71%	0.711	61%	0.612	S	S	*	*	S	Bend	trans	-152.6	1.4	162.6	-96.5	-25.2	0	0	0	115.9
359	N	33	Very low	39.6	Very low	171 Å²	171	118.3 Å²	118.3	91%	0.914	60%	0.6	S	S	*	*	S	Bend	trans	-119.3	13.7	-177.7	-92.4	-20.4	0	0	0	116.6
360	M	33.5	Very low	39.6	Very low	138 Å²	138	118.2 Å²	118.2	68%	0.68	61%	0.605	S	S	*	*			trans	-96.7	13.8	175	-92.5	-88.4	-95.6	0	0	113.9	E362	M360-E362 PolarHBondContact O-N 2.93Å
361	E	43.9	Very low	39.7	Very low	103 Å²	103	115.9 Å²	115.9	48%	0.481	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.4	-24.5	-161.7	-61	-137.5	107.3	0	0	116.5	R228	R228-E361 IonicContact CZ-OE1 2.69Å; R228-E361 IonicContact NH1-OE1 2.64Å; R228-E361 PolarHBondContact NH1-OE1 2.87Å; R228-E361 IonicContact NH2-OE1 3.11Å
362	E	39.5	Very low	39.9	Very low	168 Å²	168	113 Å²	113	79%	0.785	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-32.3	-176.3	-71.6	-171.3	161	0	0	114.4	M360 E364 C365	M360-E362 PolarHBondContact O-N 2.93Å; E362-E364 VanDerWaalsContact C-N 3.25Å; E362-E364 PolarHBondContact O-N 3.23Å; E362-C365 PolarHBondContact O-N 3.34Å
363	K	43	Very low	40.3	Very low	160 Å²	160	111.3 Å²	111.3	70%	0.696	56%	0.564	S	S	*	*	H	α-helix	trans	-65.3	-28.1	-177.7	-71.6	-176.8	178.8	175.6	0	113.1	C365 H366	K363-C365 VanDerWaalsContact C-N 3.31Å; K363-C365 PolarHBondContact O-N 3.02Å; K363-H366 PolarHBondContact O-N 2.97Å
364	E	45.9	Very low	40.8	Very low	26 Å²	26	114 Å²	114	12%	0.121	56%	0.563	C	S	.	*	H	α-helix	trans	-68.8	-26	-176.5	-148.3	-174.7	-178	0	0	113.1	R334 H337 E362 H366 I368	R334-E364 IonicContact CZ-OE2 3.96Å; R334-E364 IonicContact NH1-OE1 3.58Å; R334-E364 IonicContact NH1-OE2 2.9Å; R334-E364 PolarHBondContact NH1-OE2 3.24Å; R334-E364 IonicContact NH2-OE2 3.54Å; R334-E364 PolarHBondContact NH2-OE2 3.14Å; H337-E364 IonicContact CE1-OE1 3.59Å; H337-E364 IonicContact ND1-OE1 2.78Å; H337-E364 PolarHBondContact ND1-OE1 3.43Å; E362-E364 VanDerWaalsContact C-N 3.25Å; E362-E364 PolarHBondContact O-N 3.23Å; E364-H366 VanDerWaalsContact C-N 3.33Å; E364-H366 PolarHBondContact O-N 2.82Å; E364-I368 HydrophobicContact CG-CD1 4.1Å; E364-I368 VanDerWaalsContact O-CD1 3.32Å; E364-I368 WeakPolarHBondContact O-CD1 3.21Å; E364-I368 WeakPolarHBondContact O-CG1 3.2Å; E364-I368 PolarHBondContact O-N 3.5Å
365	C	37	Very low	41	Very low	38 Å²	38	113.5 Å²	113.5	26%	0.257	56%	0.561	S	S	.	*	H	α-helix	trans	-66.4	-35.8	179.4	-65.2	0	0	0	0	112	E362 K363 D369	E362-C365 PolarHBondContact O-N 3.34Å; K363-C365 VanDerWaalsContact C-N 3.31Å; K363-C365 PolarHBondContact O-N 3.02Å; C365-D369 PolarHBondContact O-N 3.4Å
366	H	46.3	Very low	41.3	Very low	140 Å²	140	110.7 Å²	110.7	65%	0.648	55%	0.553	S	S	*	*	H	α-helix	trans	-79.5	-34.1	-178.2	-69.6	-64.9	0	0	0	113.4	K363 E364 S370	K363-H366 PolarHBondContact O-N 2.97Å; E364-H366 VanDerWaalsContact C-N 3.33Å; E364-H366 PolarHBondContact O-N 2.82Å; H366-S370 PolarHBondContact O-N 3.37Å; H366-S370 PolarHBondContact O-OG 3.02Å
367	E	49.8	Very low	41.2	Very low	125 Å²	125	107.9 Å²	107.9	58%	0.584	54%	0.543	S	S	*	.	H	α-helix	trans	-68.6	-39.2	175.8	-74.9	-178.7	168.9	0	0	111.8	S370 E371	E367-S370 WeakPolarHBondContact O-CB 3.32Å; E367-S370 PolarHBondContact O-N 3.44Å; E367-E371 PolarHBondContact O-N 3.18Å
368	I	45.9	Very low	40.9	Very low	19 Å²	19	108.7 Å²	108.7	10%	0.097	55%	0.547	C	S	.	.	H	α-helix	trans	-67.7	-40.4	177.5	-64.1	167.1	0	0	0	111.6	R334 E364 S370 E371 M372	R334-I368 HydrophobicContact CG-CD1 4.33Å; E364-I368 HydrophobicContact CG-CD1 4.1Å; E364-I368 VanDerWaalsContact O-CD1 3.32Å; E364-I368 WeakPolarHBondContact O-CD1 3.21Å; E364-I368 WeakPolarHBondContact O-CG1 3.2Å; E364-I368 PolarHBondContact O-N 3.5Å; I368-S370 PolarHBondContact O-N 3.16Å; I368-E371 PolarHBondContact O-N 3.37Å; I368-M372 HydrophobicContact CG2-SD 4.29Å; I368-M372 PolarHBondContact O-N 2.72Å
369	D	49	Very low	40.8	Very low	55 Å²	55	109.4 Å²	109.4	29%	0.294	56%	0.556	S	S	.	*	H	α-helix	trans	-60	-39.2	174.6	-83.8	-19.5	0	0	0	110.6	K226 C365 M372 N373	K226-D369 VanDerWaalsContact NZ-CG 3.28Å; K226-D369 IonicContact NZ-OD1 3.61Å; K226-D369 PolarHBondContact NZ-OD1 3.41Å; K226-D369 VanDerWaalsContact NZ-OD1 3.08Å; K226-D369 IonicContact NZ-OD2 3.68Å; K226-D369 PolarHBondContact NZ-OD2 3.28Å; C365-D369 PolarHBondContact O-N 3.4Å; D369-M372 PolarHBondContact O-N 2.9Å; D369-N373 WeakPolarHBondContact O-CB 3.36Å; D369-N373 PolarHBondContact O-N 3.49Å
370	S	52.5	Low	40.4	Very low	66 Å²	66	109 Å²	109	46%	0.462	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-39.4	175.9	-57.1	0	0	0	0	112.3	H366 E367 I368 R374	H366-S370 PolarHBondContact O-N 3.37Å; H366-S370 PolarHBondContact O-OG 3.02Å; E367-S370 WeakPolarHBondContact O-CB 3.32Å; E367-S370 PolarHBondContact O-N 3.44Å; I368-S370 PolarHBondContact O-N 3.16Å; S370-R374 WeakPolarHBondContact O-CG 3.15Å; S370-R374 PolarHBondContact O-N 3.44Å; S370-R374 VanDerWaalsContact O-N 3.15Å
371	E	50.2	Low	40.1	Very low	88 Å²	88	108.6 Å²	108.6	41%	0.411	56%	0.555	S	S	.	*	H	α-helix	trans	-72.5	-38.8	175.4	-76.2	-165	145.1	0	0	113.6	E367 I368 N373 R374 N375	E367-E371 PolarHBondContact O-N 3.18Å; I368-E371 PolarHBondContact O-N 3.37Å; E371-N373 VanDerWaalsContact C-N 3.34Å; E371-R374 PolarHBondContact O-N 3.41Å; E371-N375 WeakPolarHBondContact O-CB 3.38Å; E371-N375 VanDerWaalsContact O-CG 3.31Å; E371-N375 PolarHBondContact O-N 2.82Å; E371-N375 PolarHBondContact O-ND2 3.19Å
372	M	42.6	Very low	39.2	Very low	73 Å²	73	109.5 Å²	109.5	36%	0.36	56%	0.563	S	S	.	*	H	α-helix	trans	-64.2	-40.6	175.4	-87.2	178.2	54.6	0	0	111.3	A330 I368 D369 N375 S376	A330-M372 HydrophobicContact CB-SD 3.96Å; I368-M372 HydrophobicContact CG2-SD 4.29Å; I368-M372 PolarHBondContact O-N 2.72Å; D369-M372 PolarHBondContact O-N 2.9Å; M372-N375 PolarHBondContact O-N 2.82Å; M372-S376 WeakPolarHBondContact O-CB 3.38Å; M372-S376 PolarHBondContact O-N 3.34Å
373	N	41.4	Very low	38.9	Very low	104 Å²	104	109.3 Å²	109.3	56%	0.556	57%	0.567	S	S	*	*	H	α-helix	trans	-69.4	-38.5	179.3	-139.6	5.5	0	0	0	111.7	D369 E371 N375 S376 L377	D369-N373 WeakPolarHBondContact O-CB 3.36Å; D369-N373 PolarHBondContact O-N 3.49Å; E371-N373 VanDerWaalsContact C-N 3.34Å; N373-N375 VanDerWaalsContact C-N 3.3Å; N373-N375 PolarHBondContact O-N 3.35Å; N373-S376 PolarHBondContact O-N 3.11Å; N373-L377 PolarHBondContact O-N 3.49Å
374	R	41.9	Very low	38.3	Very low	200 Å²	200	108.5 Å²	108.5	76%	0.755	57%	0.566	S	S	*	*	H	α-helix	trans	-62.1	-34.4	171.9	-77.3	-174.1	-168.9	163.8	4.3	113.3	S370 E371	S370-R374 WeakPolarHBondContact O-CG 3.15Å; S370-R374 PolarHBondContact O-N 3.44Å; S370-R374 VanDerWaalsContact O-N 3.15Å; E371-R374 PolarHBondContact O-N 3.41Å
375	N	38.7	Very low	37.6	Very low	131 Å²	131	113.5 Å²	113.5	70%	0.701	60%	0.604	S	S	*	*	H	α-helix	trans	-84.1	-18	-179.8	-71.8	-41.3	0	0	0	113.8	E371 M372 N373	E371-N375 WeakPolarHBondContact O-CB 3.38Å; E371-N375 VanDerWaalsContact O-CG 3.31Å; E371-N375 PolarHBondContact O-N 2.82Å; E371-N375 PolarHBondContact O-ND2 3.19Å; M372-N375 PolarHBondContact O-N 2.82Å; N373-N375 VanDerWaalsContact C-N 3.3Å; N373-N375 PolarHBondContact O-N 3.35Å
376	S	35.5	Very low	37.2	Very low	96 Å²	96	114.9 Å²	114.9	67%	0.671	61%	0.614	S	S	*	*	H	α-helix	trans	-95.8	-24.8	-177.8	-165.8	0	0	0	0	114.3	M372 N373	M372-S376 WeakPolarHBondContact O-CB 3.38Å; M372-S376 PolarHBondContact O-N 3.34Å; N373-S376 PolarHBondContact O-N 3.11Å
377	L	30.8	Very low	36.4	Very low	128 Å²	128	115 Å²	115	67%	0.67	62%	0.624	S	S	*	*	S	Bend	trans	-120.3	45.4	-173.6	-72.7	172	0	0	0	113.5	N373	N373-L377 PolarHBondContact O-N 3.49Å
378	L	26.7	Very low	35.8	Very low	121 Å²	121	118.2 Å²	118.2	63%	0.634	64%	0.637	S	S	*	*			trans	-165.2	87.9	156.3	-139.1	107.8	0	0	0	112
379	V	30.1	Very low	35.3	Very low	147 Å²	147	122.1 Å²	122.1	89%	0.891	67%	0.666	S	S	*	*			trans	-117.4	59.6	150.5	-171	0	0	0	0	107.1
380	K	24.8	Very low	35.3	Very low	162 Å²	162	127.5 Å²	127.5	70%	0.704	69%	0.686	S	S	*	*	S	Bend	trans	-107	118.9	151.6	-90.7	-177.9	175	177.7	0	105.6	L382	K380-L382 PolarHBondContact O-N 3.41Å
381	C	26.4	Very low	35.6	Very low	130 Å²	130	127.8 Å²	127.8	88%	0.878	69%	0.693	S	S	*	*			trans	-51.3	103.1	170.4	-65.1	0	0	0	0	108.4
382	L	25.5	Very low	36.3	Very low	122 Å²	122	126 Å²	126	64%	0.639	69%	0.686	S	S	*	*			trans	-109.5	118.8	159.1	-79.7	164.6	0	0	0	105.6	K380 E384	K380-L382 PolarHBondContact O-N 3.41Å; L382-E384 VanDerWaalsContact C-N 3.31Å; L382-E384 PolarHBondContact O-N 2.98Å
383	D	32.2	Very low	37.3	Very low	165 Å²	165	123.4 Å²	123.4	88%	0.882	67%	0.674	S	S	*	*			trans	-56.6	98.1	166.4	-71.5	-44.8	0	0	0	107.8
384	E	31	Very low	38.3	Very low	143 Å²	143	126 Å²	126	67%	0.668	69%	0.688	S	S	*	*			trans	-113.1	100.6	167.2	-75.9	-170.4	-177.6	0	0	108.5	L382 S386	L382-E384 VanDerWaalsContact C-N 3.31Å; L382-E384 PolarHBondContact O-N 2.98Å; E384-S386 PolarHBondContact O-N 3.05Å; E384-S386 PolarHBondContact OE2-OG 2.85Å
385	S	30.9	Very low	39.5	Very low	131 Å²	131	120.8 Å²	120.8	92%	0.916	68%	0.675	S	S	*	*			trans	-50.2	64.2	135.9	45.5	0	0	0	0	111
386	S	29.5	Very low	41.3	Very low	67 Å²	67	117 Å²	117	47%	0.469	65%	0.652	S	S	.	*			trans	-114.1	106.8	159.7	65.4	0	0	0	0	106.9	E384 K388	E384-S386 PolarHBondContact O-N 3.05Å; E384-S386 PolarHBondContact OE2-OG 2.85Å; S386-K388 VanDerWaalsContact C-N 3.26Å; S386-K388 PolarHBondContact O-N 2.85Å
387	T	28.6	Very low	43.4	Very low	142 Å²	142	114.4 Å²	114.4	87%	0.871	63%	0.633	S	S	*	*			trans	-62.6	78.3	-176.3	42.8	0	0	0	0	111	S389	T387-S389 VanDerWaalsContact C-N 3.26Å; T387-S389 PolarHBondContact O-N 3.02Å
388	K	37.1	Very low	46	Very low	193 Å²	193	112 Å²	112	84%	0.839	63%	0.625	S	S	*	*			trans	-66.4	97.6	154	-79	-176.9	178.9	176.7	0	106.1	S386 K390	S386-K388 VanDerWaalsContact C-N 3.26Å; S386-K388 PolarHBondContact O-N 2.85Å; K388-K390 PolarHBondContact O-N 2.88Å; K388-K390 VanDerWaalsContact O-N 3.12Å
389	S	35.8	Very low	48.8	Very low	101 Å²	101	109.5 Å²	109.5	71%	0.706	61%	0.612	S	S	*	*			trans	-37.7	118.9	175.3	47.9	0	0	0	0	109.7	T387 A391	T387-S389 VanDerWaalsContact C-N 3.26Å; T387-S389 PolarHBondContact O-N 3.02Å; S389-A391 PolarHBondContact O-N 3.31Å
390	K	48.5	Very low	51.6	Low	168 Å²	168	102.5 Å²	102.5	73%	0.73	57%	0.57	S	S	*	*			trans	-50.5	85.7	173.3	-77.4	168.3	-177.5	172.4	0	110	K388 L392 I542	K388-K390 PolarHBondContact O-N 2.88Å; K388-K390 VanDerWaalsContact O-N 3.12Å; K390-L392 PolarHBondContact O-N 3.01Å; K390-I542 HydrophobicContact CB-CD1 4.26Å; K390-I542 HydrophobicContact CB-CG2 3.61Å; K390-I542 HydrophobicContact CD-CG2 4.01Å; K390-I542 HydrophobicContact CG-CG2 3.91Å; K390-I542 WeakPolarHBondContact O-CD1 3.42Å
391	A	58.8	Low	54.7	Low	72 Å²	72	94.8 Å²	94.8	60%	0.595	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-73.8	126.2	-166.6	0	0	0	0	0	111.4	S389	S389-A391 PolarHBondContact O-N 3.31Å
392	L	66	Low	57.8	Low	50 Å²	50	88.6 Å²	88.6	26%	0.262	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-57	156.4	162.8	-77.3	162.7	0	0	0	110	K390 N394 F396 C538 I542	K390-L392 PolarHBondContact O-N 3.01Å; L392-N394 PolarHBondContact O-N 2.64Å; L392-F396 HydrophobicContact CB-CB 4.31Å; L392-F396 HydrophobicContact CD1-CD1 4.09Å; L392-F396 HydrophobicContact CD1-CE1 4.28Å; L392-F396 HydrophobicContact CD1-CG 4.33Å; L392-C538 HydrophobicContact CD1-CB 4.31Å; L392-C538 HydrophobicContact CD2-CB 3.61Å; L392-I542 HydrophobicContact CD2-CD1 4.1Å; L392-I542 HydrophobicContact CD2-CG1 4.3Å; L392-I542 HydrophobicContact CG-CD1 4.16Å
393	P	62.7	Low	61	Low	18 Å²	18	82.9 Å²	82.9	12%	0.117	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-56	137.6	172.4	17.9	-23	0	0	0	111	N395 F396	P393-N395 PolarHBondContact O-N 2.77Å; P393-F396 VanDerWaalsContact O-CB 3.25Å; P393-F396 WeakPolarHBondContact O-CB 3.48Å; P393-F396 PolarHBondContact O-N 3.14Å
394	N	63	Low	63.8	Low	160 Å²	160	75 Å²	75	86%	0.856	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.7	-171.9	-56.2	10.5	0	0	0	114.4	L392	L392-N394 PolarHBondContact O-N 2.64Å
395	N	68.1	Low	66.6	Low	89 Å²	89	70.8 Å²	70.8	48%	0.476	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	27.8	176.9	66.4	-25.5	0	0	0	113.3	P393 R502	P393-N395 PolarHBondContact O-N 2.77Å; N395-R502 PolarHBondContact OD1-NH2 2.62Å; N395-R502 VanDerWaalsContact OD1-NH2 3.11Å
396	F	75.8	Confident	69.4	Low	51 Å²	51	64.5 Å²	64.5	22%	0.224	36%	0.357	C	S	.	.			trans	-76.4	126.7	175.3	179.5	-99.2	0	0	0	109.8	L392 P393 P398 I401 E534 C538	L392-F396 HydrophobicContact CB-CB 4.31Å; L392-F396 HydrophobicContact CD1-CD1 4.09Å; L392-F396 HydrophobicContact CD1-CE1 4.28Å; L392-F396 HydrophobicContact CD1-CG 4.33Å; P393-F396 VanDerWaalsContact O-CB 3.25Å; P393-F396 WeakPolarHBondContact O-CB 3.48Å; P393-F396 PolarHBondContact O-N 3.14Å; F396-P398 HydrophobicContact CE1-CG 4.28Å; F396-I401 HydrophobicContact CE2-CD1 3.71Å; F396-I401 HydrophobicContact CZ-CD1 4.37Å; F396-E534 HydrophobicContact CZ-CG 4.1Å; F396-E534 WeakPolarHBondContact CZ-OE1 3.33Å; F396-C538 WeakPolarHBondContact CE2-SG 3.41Å; F396-C538 WeakPolarHBondContact CZ-SG 3.34Å
397	V	80	Confident	72.1	Confident	43 Å²	43	62 Å²	62	26%	0.261	34%	0.339	S	S	.	.			trans	-117.6	124.6	175.4	179.2	0	0	0	0	106.9	S400 K504	V397-S400 VanDerWaalsContact O-CB 3.23Å; V397-S400 WeakPolarHBondContact O-CB 3.48Å; V397-S400 PolarHBondContact O-N 2.78Å; V397-S400 PolarHBondContact O-OG 3.36Å; V397-K504 WeakPolarHBondContact CG2-O 3.41Å
398	P	84	Confident	74.7	Confident	78 Å²	78	57.3 Å²	57.3	51%	0.506	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	148.8	175.1	-23.1	33.1	0	0	0	112	F396 S400 E534	F396-P398 HydrophobicContact CE1-CG 4.28Å; P398-S400 PolarHBondContact O-N 2.87Å; P398-E534 WeakPolarHBondContact CA-OE1 3.41Å
399	N	86	Confident	76.8	Confident	68 Å²	68	54.3 Å²	54.3	36%	0.364	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	27.7	-177.6	-57.9	-25.6	0	0	0	114	I528 E534	N399-I528 HydrophobicContact CB-CG2 4.31Å; N399-E534 PolarHBondContact N-OE1 2.93Å; N399-E534 PolarHBondContact N-OE2 3.24Å
400	S	88.2	Confident	78.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.			trans	-104.4	-3.4	178.3	87.4	0	0	0	0	114.1	V397 P398 M503	V397-S400 VanDerWaalsContact O-CB 3.23Å; V397-S400 WeakPolarHBondContact O-CB 3.48Å; V397-S400 PolarHBondContact O-N 2.78Å; V397-S400 PolarHBondContact O-OG 3.36Å; P398-S400 PolarHBondContact O-N 2.87Å; S400-M503 WeakPolarHBondContact CB-O 3.41Å; S400-M503 WeakPolarHBondContact O-CB 3.25Å; S400-M503 PolarHBondContact O-N 2.84Å; S400-M503 PolarHBondContact OG-O 3.16Å; S400-M503 VanDerWaalsContact OG-O 3.07Å
401	I	91.2	Very high	80.4	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.1	-177	-61.2	156	0	0	0	109.8	F396 F500 R502 I528 L529 E534 Y537	F396-I401 HydrophobicContact CE2-CD1 3.71Å; F396-I401 HydrophobicContact CZ-CD1 4.37Å; I401-F500 HydrophobicContact CG2-CB 4.5Å; I401-F500 HydrophobicContact CG2-CD1 4.29Å; I401-R502 HydrophobicContact CG1-CB 4.41Å; I401-R502 HydrophobicContact CG1-CG 4Å; I401-I528 WeakPolarHBondContact O-CA 3.5Å; I401-L529 HydrophobicContact CB-CB 4.39Å; I401-L529 HydrophobicContact CB-CD1 4.39Å; I401-L529 HydrophobicContact CB-CG 4.47Å; I401-L529 HydrophobicContact CG2-CB 4.44Å; I401-L529 HydrophobicContact CG2-CD1 3.64Å; I401-L529 HydrophobicContact CG2-CG 4Å; I401-L529 PolarHBondContact O-N 3.26Å; I401-E534 HydrophobicContact CD1-CG 3.78Å; I401-Y537 HydrophobicContact CD1-CD1 3.31Å; I401-Y537 HydrophobicContact CD1-CE1 3.66Å; I401-Y537 HydrophobicContact CD1-CG 4.31Å; I401-Y537 HydrophobicContact CG1-CD1 4.08Å; I401-Y537 HydrophobicContact CG1-CE1 3.97Å; I401-Y537 HydrophobicContact CG2-CD1 3.99Å; I401-Y537 HydrophobicContact CG2-CE1 3.92Å; I401-Y537 HydrophobicContact CG2-CG 4.33Å
402	V	91.7	Very high	81.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.3	179.5	-172.8	0	0	0	0	109.3	I404 F500 I501 M503 A509 L512 V513 A526 R527 I528	V402-I404 HydrophobicContact CG1-CD1 4.28Å; V402-I404 HydrophobicContact CG1-CG1 3.85Å; V402-F500 CarbonylContact O-C 3.57Å; V402-F500 WeakPolarHBondContact O-CA 3.41Å; V402-I501 PolarHBondContact N-O 3.21Å; V402-I501 PolarHBondContact O-N 3.45Å; V402-M503 HydrophobicContact CG2-CG 4.46Å; V402-A509 HydrophobicContact CG2-CB 3.77Å; V402-L512 HydrophobicContact CB-CD2 4.27Å; V402-L512 HydrophobicContact CG1-CD2 4.25Å; V402-L512 HydrophobicContact CG2-CD2 4.18Å; V402-V513 HydrophobicContact CG1-CG2 3.8Å; V402-V513 HydrophobicContact CG2-CG2 4.44Å; V402-A526 HydrophobicContact CG1-CB 4.1Å; V402-R527 CarbonylContact C-O 3.53Å; V402-R527 WeakPolarHBondContact CA-O 3.17Å; V402-I528 HydrophobicContact CG2-CG1 4.43Å
403	Q	91.2	Very high	80.9	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.9	166.8	-176.3	177.4	-0.2	0	0	109	Y405 N475 L499 F500 A526 R527 L529	Q403-Y405 HydrophobicContact CG-CE2 4.27Å; Q403-Y405 PolarHBondContact NE2-OH 2.98Å; Q403-N475 PolarHBondContact NE2-OD1 2.88Å; Q403-L499 WeakPolarHBondContact CA-O 3.33Å; Q403-F500 HydrophobicContact CB-CD1 3.8Å; Q403-F500 HydrophobicContact CB-CE1 3.62Å; Q403-F500 HydrophobicContact CG-CD1 4.11Å; Q403-F500 HydrophobicContact CG-CE1 3.62Å; Q403-F500 HydrophobicContact CG-CZ 4.25Å; Q403-A526 CarbonylContact O-C 3.59Å; Q403-A526 VanDerWaalsContact O-CA 3.29Å; Q403-A526 WeakPolarHBondContact O-CA 3.41Å; Q403-R527 HydrophobicContact CB-CG 4.01Å; Q403-R527 PolarHBondContact N-O 3.43Å; Q403-R527 PolarHBondContact O-N 2.88Å; Q403-L529 HydrophobicContact CB-CD2 4.05Å
404	I	91.1	Very high	80.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135	179.5	-55.7	-176.4	0	0	0	109.1	V402 W406 L449 P498 L499 I501 L512 V524 T525 A526	V402-I404 HydrophobicContact CG1-CD1 4.28Å; V402-I404 HydrophobicContact CG1-CG1 3.85Å; I404-W406 HydrophobicContact CG2-CE3 4.1Å; I404-L449 HydrophobicContact CD1-CD2 3.8Å; I404-P498 WeakPolarHBondContact O-CA 3.15Å; I404-L499 HydrophobicContact CB-CD1 3.92Å; I404-L499 HydrophobicContact CB-CG 4.16Å; I404-L499 HydrophobicContact CD1-CD1 4.46Å; I404-L499 HydrophobicContact CG1-CD1 4.44Å; I404-L499 PolarHBondContact N-O 3.4Å; I404-L499 PolarHBondContact O-N 3.39Å; I404-I501 HydrophobicContact CD1-CD1 3.55Å; I404-I501 HydrophobicContact CD1-CG1 3.95Å; I404-L512 HydrophobicContact CD1-CD2 4.11Å; I404-V524 HydrophobicContact CG2-CG1 4Å; I404-T525 WeakPolarHBondContact CA-O 3.4Å; I404-A526 HydrophobicContact CG1-CB 4.1Å
405	Y	89.8	Confident	79.7	Confident	54 Å²	54	52 Å²	52	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.6	166.6	-73.6	-92.8	0	0	0	108.8	Q403 N475 F496 P498 T525	Q403-Y405 HydrophobicContact CG-CE2 4.27Å; Q403-Y405 PolarHBondContact NE2-OH 2.98Å; Y405-N475 PolarHBondContact OH-ND2 2.67Å; Y405-F496 HydrophobicContact CD1-CB 4.41Å; Y405-P498 HydrophobicContact CD1-CB 4.07Å; Y405-P498 HydrophobicContact CE1-CB 3.83Å; Y405-T525 WeakPolarHBondContact CD2-OG1 3.34Å; Y405-T525 PolarHBondContact N-O 3.36Å
406	W	89.8	Confident	78.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.6	-171.1	-166.3	-102.8	0	0	0	112.2	I404 S408 L410 L441 S444 L445 N448 L449 F496 V497 L499 I521 V524	I404-W406 HydrophobicContact CG2-CE3 4.1Å; W406-S408 PolarHBondContact O-N 2.81Å; W406-L410 HydrophobicContact CH2-CD1 4.26Å; W406-L410 HydrophobicContact CZ2-CB 4.45Å; W406-L410 HydrophobicContact CZ2-CD1 3.68Å; W406-L441 HydrophobicContact CB-CD1 4.39Å; W406-L441 HydrophobicContact CG-CD1 4.27Å; W406-S444 PolarHBondContact NE1-OG 3.42Å; W406-S444 VanDerWaalsContact NE1-OG 3.1Å; W406-L445 HydrophobicContact CD2-CD2 3.59Å; W406-L445 HydrophobicContact CD2-CG 4.42Å; W406-L445 HydrophobicContact CE3-CD2 3.58Å; W406-L445 HydrophobicContact CG-CD2 4.11Å; W406-L445 HydrophobicContact CH2-CD2 4.35Å; W406-L445 HydrophobicContact CZ2-CD2 4.34Å; W406-L445 HydrophobicContact CZ3-CD2 3.98Å; W406-N448 HydrophobicContact CH2-CB 3.95Å; W406-N448 HydrophobicContact CZ2-CB 3.79Å; W406-L449 HydrophobicContact CH2-CB 3.74Å; W406-L449 HydrophobicContact CZ3-CB 3.89Å; W406-L449 HydrophobicContact CZ3-CD2 3.9Å; W406-L449 HydrophobicContact CZ3-CG 4.35Å; W406-F496 CarbonylContact O-C 3.57Å; W406-F496 WeakPolarHBondContact O-CA 3.22Å; W406-V497 PolarHBondContact N-O 3.1Å; W406-V497 PolarHBondContact O-N 3.18Å; W406-L499 HydrophobicContact CB-CD2 3.68Å; W406-L499 HydrophobicContact CG-CD2 4.34Å; W406-I521 HydrophobicContact CH2-CD1 4.16Å; W406-V524 HydrophobicContact CE3-CG1 4.08Å; W406-V524 HydrophobicContact CE3-CG2 4.49Å; W406-V524 HydrophobicContact CZ3-CG1 4.17Å; W406-V524 HydrophobicContact CZ3-CG2 4.39Å
407	P	86.8	Confident	76.1	Confident	14 Å²	14	54 Å²	54	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.9	-177.4	-14	26	0	0	0	111.7	V409 L410 F496 V524	P407-V409 PolarHBondContact O-N 3.29Å; P407-L410 HydrophobicContact CB-CD1 4.4Å; P407-L410 HydrophobicContact CB-CG 4.39Å; P407-L410 HydrophobicContact CG-CD1 4.01Å; P407-L410 PolarHBondContact O-N 3.33Å; P407-F496 HydrophobicContact CB-CD1 4.39Å; P407-F496 HydrophobicContact CB-CE1 4.11Å; P407-F496 HydrophobicContact CG-CD1 4.23Å; P407-F496 HydrophobicContact CG-CE1 3.79Å; P407-V524 HydrophobicContact CG-CG2 3.8Å
408	S	82.8	Confident	73.7	Confident	44 Å²	44	59.3 Å²	59.3	31%	0.308	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-62.3	-27.3	178.5	-62.7	0	0	0	0	112.8	W406 L410 I411 E495 V497	W406-S408 PolarHBondContact O-N 2.81Å; S408-L410 VanDerWaalsContact C-N 3.26Å; S408-L410 PolarHBondContact O-N 3.19Å; S408-I411 WeakPolarHBondContact O-CB 3.1Å; S408-I411 PolarHBondContact O-N 2.99Å; S408-I411 VanDerWaalsContact O-N 3.15Å; S408-E495 VanDerWaalsContact CB-O 3.26Å; S408-E495 WeakPolarHBondContact CB-O 3.4Å; S408-E495 PolarHBondContact N-O 3.46Å; S408-E495 PolarHBondContact OG-O 2.99Å; S408-V497 WeakPolarHBondContact OG-CG2 2.89Å
409	V	81.3	Confident	71.1	Confident	129 Å²	129	62.2 Å²	62.2	78%	0.782	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-63.1	-30.7	179.6	-176.3	0	0	0	0	112.3	P407 I411	P407-V409 PolarHBondContact O-N 3.29Å; V409-I411 VanDerWaalsContact C-N 3.26Å; V409-I411 PolarHBondContact O-N 3.25Å
410	L	79.3	Confident	68.3	Low	61 Å²	61	70 Å²	70	32%	0.319	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-81	-6.4	179.7	-64.6	177.7	0	0	0	113	W406 P407 S408 P412 S444 I521	W406-L410 HydrophobicContact CH2-CD1 4.26Å; W406-L410 HydrophobicContact CZ2-CB 4.45Å; W406-L410 HydrophobicContact CZ2-CD1 3.68Å; P407-L410 HydrophobicContact CB-CD1 4.4Å; P407-L410 HydrophobicContact CB-CG 4.39Å; P407-L410 HydrophobicContact CG-CD1 4.01Å; P407-L410 PolarHBondContact O-N 3.33Å; S408-L410 VanDerWaalsContact C-N 3.26Å; S408-L410 PolarHBondContact O-N 3.19Å; L410-P412 WeakPolarHBondContact O-CD 3.39Å; L410-S444 WeakPolarHBondContact O-CB 3.24Å; L410-S444 PolarHBondContact O-OG 2.91Å; L410-I521 HydrophobicContact CD1-CG2 3.84Å
411	I	81	Confident	65.5	Low	14 Å²	14	78.4 Å²	78.4	7%	0.072	45%	0.445	C	S	.	.	S	Bend	trans	-85.8	119.5	-178.8	-53.7	174.7	0	0	0	108.4	S408 V409 K413 F437 C440 L441 V497	S408-I411 WeakPolarHBondContact O-CB 3.1Å; S408-I411 PolarHBondContact O-N 2.99Å; S408-I411 VanDerWaalsContact O-N 3.15Å; V409-I411 VanDerWaalsContact C-N 3.26Å; V409-I411 PolarHBondContact O-N 3.25Å; I411-K413 PolarHBondContact O-N 3.29Å; I411-F437 HydrophobicContact CD1-CE2 3.79Å; I411-F437 HydrophobicContact CD1-CZ 3.77Å; I411-F437 HydrophobicContact CG2-CE2 4.24Å; I411-C440 HydrophobicContact CG2-CB 3.73Å; I411-L441 HydrophobicContact CD1-CD1 3.47Å; I411-L441 VanDerWaalsContact CD1-CD1 3.47Å; I411-L441 HydrophobicContact CG1-CD1 3.85Å; I411-V497 HydrophobicContact CD1-CG2 3.89Å
412	P	72.5	Confident	62.4	Low	68 Å²	68	83.6 Å²	83.6	44%	0.442	48%	0.481	S	S	.	.			trans	-59.9	112.4	177.2	-21.3	32	0	0	0	110.6	L410 G414	L410-P412 WeakPolarHBondContact O-CD 3.39Å; P412-G414 PolarHBondContact O-N 3.15Å
413	K	63.1	Low	59.6	Low	183 Å²	183	91.5 Å²	91.5	80%	0.796	52%	0.523	S	S	*	.			trans	-70.3	123.4	164.4	-66.3	-178.8	-178.6	177	0	106.1	I411 D415	I411-K413 PolarHBondContact O-N 3.29Å; K413-D415 PolarHBondContact O-N 3.14Å
414	G	54.5	Low	56.6	Low	58 Å²	58	95 Å²	95	60%	0.598	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	25.6	-166.6	0	0	0	0	0	117.4	P412	P412-G414 PolarHBondContact O-N 3.15Å
415	D	44.8	Very low	53.9	Low	138 Å²	138	103.2 Å²	103.2	74%	0.738	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-1	-175.4	-65.2	-25.5	0	0	0	114.2	K413	K413-D415 PolarHBondContact O-N 3.14Å
416	A	35	Very low	51	Low	92 Å²	92	104.2 Å²	104.2	76%	0.76	63%	0.629	S	S	*	*			trans	-105.5	81.3	176.5	0	0	0	0	0	112.1
417	A	34.3	Very low	48.3	Very low	89 Å²	89	111.1 Å²	111.1	74%	0.736	67%	0.666	S	S	*	*			trans	-69.1	116.5	141.6	0	0	0	0	0	106.2
418	D	30	Very low	45.7	Very low	155 Å²	155	116.4 Å²	116.4	83%	0.829	70%	0.698	S	S	*	*			trans	169.2	89.8	152.5	-88.2	-21	0	0	0	110.2
419	T	29.7	Very low	43.4	Very low	139 Å²	139	122.4 Å²	122.4	85%	0.853	73%	0.726	S	S	*	*	S	Bend	trans	-154.4	88.6	139.5	-47.4	0	0	0	0	109.3
420	R	26	Very low	41.1	Very low	230 Å²	230	123.5 Å²	123.5	87%	0.868	73%	0.726	S	S	*	*			trans	38.7	93.5	142.3	-55.9	-173.6	-176.2	-163.7	1.1	117.8
421	L	30.1	Very low	38.9	Very low	178 Å²	178	126.2 Å²	126.2	93%	0.932	75%	0.745	S	S	*	*			trans	-132.5	102.4	131.3	-75.4	179.4	0	0	0	107.9
422	S	26.6	Very low	37	Very low	108 Å²	108	131.5 Å²	131.5	76%	0.755	78%	0.78	S	S	*	*			trans	-67.8	118.7	163.7	55.8	0	0	0	0	108.6
423	D	31.9	Very low	35.9	Very low	166 Å²	166	137.3 Å²	137.3	89%	0.888	80%	0.798	S	S	*	*				-164.6	135.9	128.1	-108.9	-19.3	0	0	0	109.3
424	G	28.9	Very low	35.9	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	80%	0.796	S	S	*	*			trans	-75.6	140.5	-164.5	0	0	0	0	0	113.9
425	L	33.2	Very low	36.7	Very low	174 Å²	174	138.2 Å²	138.2	91%	0.911	79%	0.789	S	S	*	*				-161.7	131.9	129.6	-155.6	64.6	0	0	0	107.7	D427	L425-D427 PolarHBondContact O-N 3.25Å
426	G	29.2	Very low	38.5	Very low	74 Å²	74	135 Å²	135	76%	0.763	78%	0.778	S	S	*	*			trans	-65	125.8	-176.6	0	0	0	0	0	111.7
427	D	33.6	Very low	40.7	Very low	146 Å²	146	135.5 Å²	135.5	78%	0.781	76%	0.763	S	S	*	*			trans	-145	131.5	162.8	-116.2	-20.1	0	0	0	109.7	L425 L429	L425-D427 PolarHBondContact O-N 3.25Å; D427-L429 PolarHBondContact O-N 3.38Å; D427-L429 VanDerWaalsContact O-N 3.16Å
428	T	32.8	Very low	42.9	Very low	125 Å²	125	132.9 Å²	132.9	77%	0.767	74%	0.742	S	S	*	*			trans	-30.9	109.9	176.1	28.3	0	0	0	0	113.4	I430	T428-I430 PolarHBondContact O-N 2.94Å
429	L	33	Very low	45.4	Very low	170 Å²	170	133 Å²	133	89%	0.89	73%	0.73	S	S	*	*			trans	-58	94	-175.2	-70.3	159	0	0	0	112	D427 T431	D427-L429 PolarHBondContact O-N 3.38Å; D427-L429 VanDerWaalsContact O-N 3.16Å; L429-T431 PolarHBondContact O-N 2.99Å; L429-T431 VanDerWaalsContact O-N 3.15Å
430	I	33.2	Very low	48	Very low	152 Å²	152	126.9 Å²	126.9	78%	0.779	69%	0.693	S	S	*	*			trans	-63.6	109.9	158.5	-62.1	173	0	0	0	106.1	T428 P432	T428-I430 PolarHBondContact O-N 2.94Å; I430-P432 WeakPolarHBondContact O-CD 3.39Å; I430-P432 VanDerWaalsContact O-N 3.13Å
431	T	33.8	Very low	51	Low	118 Å²	118	116 Å²	116	72%	0.724	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-55.6	119.5	174.2	46.9	0	0	0	0	109	L429 K433	L429-T431 PolarHBondContact O-N 2.99Å; L429-T431 VanDerWaalsContact O-N 3.15Å; T431-K433 PolarHBondContact O-N 3.42Å; T431-K433 VanDerWaalsContact O-N 3.09Å
432	P	41.5	Very low	53.7	Low	124 Å²	124	111 Å²	111	81%	0.805	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-63.2	120.1	-174.7	21.4	-29.7	0	0	0	109.1	I430 K434	I430-P432 WeakPolarHBondContact O-CD 3.39Å; I430-P432 VanDerWaalsContact O-N 3.13Å; P432-K434 PolarHBondContact O-N 2.83Å; P432-K434 VanDerWaalsContact O-N 3.14Å
433	K	49.5	Very low	56.6	Low	191 Å²	191	108.2 Å²	108.2	83%	0.83	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-55.4	119.8	-178.8	-72.6	178.2	178.8	172.2	0	109.7	T431 L435	T431-K433 PolarHBondContact O-N 3.42Å; T431-K433 VanDerWaalsContact O-N 3.09Å; K433-L435 PolarHBondContact O-N 3.14Å
434	K	61.3	Low	59.2	Low	173 Å²	173	100.4 Å²	100.4	75%	0.752	56%	0.555	S	S	*	*			trans	-50	112.4	173.7	-151.3	171.1	-171.2	169.9	0	109.2	P432	P432-K434 PolarHBondContact O-N 2.83Å; P432-K434 VanDerWaalsContact O-N 3.14Å
435	L	73.2	Confident	62.1	Low	87 Å²	87	96.9 Å²	96.9	46%	0.455	52%	0.519	S	S	.	.			trans	-64.3	143.3	178.6	-72	156.1	0	0	0	109	K433 R439 I443	K433-L435 PolarHBondContact O-N 3.14Å; L435-R439 VanDerWaalsContact CD2-CD 3.4Å; L435-R439 HydrophobicContact CD2-CG 3.91Å; L435-I443 HydrophobicContact CD1-CD1 4.34Å
436	S	80.9	Confident	64.8	Low	71 Å²	71	91.2 Å²	91.2	50%	0.497	49%	0.488	S	S	.	.			trans	-65.6	149.5	174.7	61.6	0	0	0	0	110.6	A438 R439 C440	S436-A438 VanDerWaalsContact C-N 3.25Å; S436-A438 PolarHBondContact O-N 2.88Å; S436-R439 WeakPolarHBondContact O-CA 3.42Å; S436-R439 WeakPolarHBondContact O-CB 3.29Å; S436-R439 PolarHBondContact O-N 2.83Å; S436-C440 PolarHBondContact O-N 2.91Å
437	F	81.8	Confident	67.5	Low	101 Å²	101	94.8 Å²	94.8	44%	0.443	48%	0.483	S	S	.	.	H	α-helix	trans	-51.2	-45.2	177.4	177.5	-101.1	0	0	0	112.5	I411 R439 C440 L441 V497	I411-F437 HydrophobicContact CD1-CE2 3.79Å; I411-F437 HydrophobicContact CD1-CZ 3.77Å; I411-F437 HydrophobicContact CG2-CE2 4.24Å; F437-R439 PolarHBondContact O-N 2.8Å; F437-C440 PolarHBondContact O-N 2.8Å; F437-C440 VanDerWaalsContact O-N 3.1Å; F437-L441 WeakPolarHBondContact O-CB 3.37Å; F437-L441 PolarHBondContact O-N 3.08Å; F437-V497 HydrophobicContact CE1-CG1 4.23Å; F437-V497 HydrophobicContact CZ-CG1 4.22Å; F437-V497 HydrophobicContact CZ-CG2 4.06Å
438	A	80.9	Confident	70	Confident	35 Å²	35	91 Å²	91	29%	0.289	46%	0.463	S	S	.	.	H	α-helix	trans	-54.2	-36.3	174.9	0	0	0	0	0	113.4	S436 R442 P464	S436-A438 VanDerWaalsContact C-N 3.25Å; S436-A438 PolarHBondContact O-N 2.88Å; A438-R442 WeakPolarHBondContact O-CB 3.39Å; A438-R442 PolarHBondContact O-N 2.92Å; A438-R442 VanDerWaalsContact O-N 3.11Å; A438-P464 HydrophobicContact CB-CB 4.07Å; A438-P464 HydrophobicContact CB-CG 3.56Å
439	R	81.4	Confident	72.6	Confident	156 Å²	156	85.1 Å²	85.1	59%	0.589	43%	0.426	S	S	*	.	H	α-helix	trans	-78.1	-39.1	178	-171.1	161.4	177	154.5	3.3	111.8	L435 S436 F437 R442 I443	L435-R439 VanDerWaalsContact CD2-CD 3.4Å; L435-R439 HydrophobicContact CD2-CG 3.91Å; S436-R439 WeakPolarHBondContact O-CA 3.42Å; S436-R439 WeakPolarHBondContact O-CB 3.29Å; S436-R439 PolarHBondContact O-N 2.83Å; F437-R439 PolarHBondContact O-N 2.8Å; R439-R442 PolarHBondContact O-N 3.35Å; R439-I443 HydrophobicContact CG-CD1 4.18Å; R439-I443 VanDerWaalsContact O-CG1 3.27Å; R439-I443 WeakPolarHBondContact O-CG1 3.39Å; R439-I443 PolarHBondContact O-N 2.62Å
440	C	86	Confident	75.3	Confident	12 Å²	12	77 Å²	77	8%	0.081	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-44.4	172.5	-67.1	0	0	0	0	111.7	I411 S436 F437 I443 S444	I411-C440 HydrophobicContact CG2-CB 3.73Å; S436-C440 PolarHBondContact O-N 2.91Å; F437-C440 PolarHBondContact O-N 2.8Å; F437-C440 VanDerWaalsContact O-N 3.1Å; C440-I443 PolarHBondContact O-N 3.35Å; C440-S444 PolarHBondContact O-N 3.27Å
441	L	87.2	Confident	77.9	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.5	-46.2	176.1	-175	70.5	0	0	0	111	W406 I411 F437 I443 S444 L445 P464 V497 L499	W406-L441 HydrophobicContact CB-CD1 4.39Å; W406-L441 HydrophobicContact CG-CD1 4.27Å; I411-L441 HydrophobicContact CD1-CD1 3.47Å; I411-L441 VanDerWaalsContact CD1-CD1 3.47Å; I411-L441 HydrophobicContact CG1-CD1 3.85Å; F437-L441 WeakPolarHBondContact O-CB 3.37Å; F437-L441 PolarHBondContact O-N 3.08Å; L441-I443 PolarHBondContact O-N 3.25Å; L441-S444 WeakPolarHBondContact O-CB 3.43Å; L441-S444 PolarHBondContact O-N 2.83Å; L441-L445 PolarHBondContact O-N 3.33Å; L441-P464 HydrophobicContact CD2-CB 3.63Å; L441-P464 WeakPolarHBondContact CD2-O 3.48Å; L441-V497 HydrophobicContact CD2-CG1 4.23Å; L441-L499 HydrophobicContact CD1-CD2 4.06Å; L441-L499 HydrophobicContact CD2-CB 4.43Å; L441-L499 HydrophobicContact CD2-CD2 3.78Å; L441-L499 HydrophobicContact CG-CD2 4.08Å
442	R	88.1	Confident	80.3	Confident	73 Å²	73	71.7 Å²	71.7	28%	0.275	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-42.8	177.1	-178.4	148.5	177.3	82.5	7.8	112.6	A438 R439 S444 L445 E446	A438-R442 WeakPolarHBondContact O-CB 3.39Å; A438-R442 PolarHBondContact O-N 2.92Å; A438-R442 VanDerWaalsContact O-N 3.11Å; R439-R442 PolarHBondContact O-N 3.35Å; R442-S444 VanDerWaalsContact C-N 3.32Å; R442-S444 PolarHBondContact O-N 3.12Å; R442-L445 PolarHBondContact O-N 3.19Å; R442-E446 HydrophobicContact CG-CG 4.26Å; R442-E446 IonicContact CZ-OE1 3.87Å; R442-E446 IonicContact NE-OE1 3.38Å; R442-E446 PolarHBondContact NE-OE1 3.21Å; R442-E446 IonicContact NH1-OE1 3.81Å; R442-E446 IonicContact NH2-OE1 3.26Å; R442-E446 PolarHBondContact NH2-OE1 2.95Å; R442-E446 WeakPolarHBondContact O-CB 3.49Å; R442-E446 VanDerWaalsContact O-CG 3.29Å; R442-E446 WeakPolarHBondContact O-CG 3.01Å; R442-E446 PolarHBondContact O-N 3.19Å
443	I	86.2	Confident	82.3	Confident	51 Å²	51	66.8 Å²	66.8	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-42.5	176.1	-68.8	163.9	0	0	0	110.9	L435 R439 C440 L441 E446 K447	L435-I443 HydrophobicContact CD1-CD1 4.34Å; R439-I443 HydrophobicContact CG-CD1 4.18Å; R439-I443 VanDerWaalsContact O-CG1 3.27Å; R439-I443 WeakPolarHBondContact O-CG1 3.39Å; R439-I443 PolarHBondContact O-N 2.62Å; C440-I443 PolarHBondContact O-N 3.35Å; L441-I443 PolarHBondContact O-N 3.25Å; I443-E446 PolarHBondContact O-N 2.81Å; I443-K447 HydrophobicContact CG2-CD 4.16Å; I443-K447 HydrophobicContact CG2-CG 4.48Å; I443-K447 WeakPolarHBondContact O-CB 3.45Å; I443-K447 WeakPolarHBondContact O-CG 3.08Å; I443-K447 PolarHBondContact O-N 3.39Å
444	S	88.1	Confident	84.1	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-47	177	-174.9	0	0	0	0	111.8	W406 L410 C440 L441 R442 K447 N448	W406-S444 PolarHBondContact NE1-OG 3.42Å; W406-S444 VanDerWaalsContact NE1-OG 3.1Å; L410-S444 WeakPolarHBondContact O-CB 3.24Å; L410-S444 PolarHBondContact O-OG 2.91Å; C440-S444 PolarHBondContact O-N 3.27Å; L441-S444 WeakPolarHBondContact O-CB 3.43Å; L441-S444 PolarHBondContact O-N 2.83Å; R442-S444 VanDerWaalsContact C-N 3.32Å; R442-S444 PolarHBondContact O-N 3.12Å; S444-K447 PolarHBondContact O-N 2.88Å; S444-N448 VanDerWaalsContact O-CB 3.32Å; S444-N448 WeakPolarHBondContact O-CB 2.95Å; S444-N448 PolarHBondContact O-N 3.15Å; S444-N448 PolarHBondContact O-ND2 3.36Å; S444-N448 PolarHBondContact OG-ND2 3.37Å
445	L	89.2	Confident	85.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-44.2	176.3	-77.5	171.6	0	0	0	112.7	W406 L441 R442 L449 L450 V462 L499 I501	W406-L445 HydrophobicContact CD2-CD2 3.59Å; W406-L445 HydrophobicContact CD2-CG 4.42Å; W406-L445 HydrophobicContact CE3-CD2 3.58Å; W406-L445 HydrophobicContact CG-CD2 4.11Å; W406-L445 HydrophobicContact CH2-CD2 4.35Å; W406-L445 HydrophobicContact CZ2-CD2 4.34Å; W406-L445 HydrophobicContact CZ3-CD2 3.98Å; L441-L445 PolarHBondContact O-N 3.33Å; R442-L445 PolarHBondContact O-N 3.19Å; L445-L449 HydrophobicContact CD2-CD2 4.14Å; L445-L449 WeakPolarHBondContact O-CA 3.23Å; L445-L449 WeakPolarHBondContact O-CB 3.24Å; L445-L449 PolarHBondContact O-N 3.15Å; L445-L450 PolarHBondContact O-N 3.16Å; L445-V462 HydrophobicContact CD1-CG1 3.98Å; L445-L499 HydrophobicContact CD1-CD1 3.8Å; L445-L499 HydrophobicContact CD1-CD2 3.68Å; L445-L499 HydrophobicContact CD1-CG 4.39Å; L445-L499 HydrophobicContact CD2-CD1 4.43Å; L445-L499 HydrophobicContact CD2-CD2 4.13Å; L445-L499 HydrophobicContact CG-CD2 4.23Å; L445-I501 HydrophobicContact CD1-CD1 4.44Å
446	E	89.6	Confident	86.2	Confident	56 Å²	56	54.7 Å²	54.7	26%	0.262	28%	0.281	S	S	.	.	I	π-helix	trans	-62.3	-47.2	179.9	-72.2	-178.5	175.2	0	0	110.7	R442 I443 L450 V451 L456	R442-E446 HydrophobicContact CG-CG 4.26Å; R442-E446 IonicContact CZ-OE1 3.87Å; R442-E446 IonicContact NE-OE1 3.38Å; R442-E446 PolarHBondContact NE-OE1 3.21Å; R442-E446 IonicContact NH1-OE1 3.81Å; R442-E446 IonicContact NH2-OE1 3.26Å; R442-E446 PolarHBondContact NH2-OE1 2.95Å; R442-E446 WeakPolarHBondContact O-CB 3.49Å; R442-E446 VanDerWaalsContact O-CG 3.29Å; R442-E446 WeakPolarHBondContact O-CG 3.01Å; R442-E446 PolarHBondContact O-N 3.19Å; I443-E446 PolarHBondContact O-N 2.81Å; E446-L450 HydrophobicContact CG-CD1 4.15Å; E446-V451 VanDerWaalsContact O-CB 3.23Å; E446-V451 WeakPolarHBondContact O-CB 3.29Å; E446-V451 WeakPolarHBondContact O-CG2 3.37Å; E446-V451 PolarHBondContact O-N 3.21Å; E446-L456 HydrophobicContact CB-CD1 4.39Å; E446-L456 HydrophobicContact CG-CD1 3.67Å
447	K	85.8	Confident	86.5	Confident	149 Å²	149	59.2 Å²	59.2	65%	0.648	29%	0.291	S	S	*	.	I	π-helix	trans	-69.9	-45.1	-178.3	-73	-172.5	173.2	-169.4	0	113.8	I443 S444 P452	I443-K447 HydrophobicContact CG2-CD 4.16Å; I443-K447 HydrophobicContact CG2-CG 4.48Å; I443-K447 WeakPolarHBondContact O-CB 3.45Å; I443-K447 WeakPolarHBondContact O-CG 3.08Å; I443-K447 PolarHBondContact O-N 3.39Å; S444-K447 PolarHBondContact O-N 2.88Å; K447-P452 VanDerWaalsContact O-CD 3.3Å; K447-P452 WeakPolarHBondContact O-CD 3.46Å; K447-P452 WeakPolarHBondContact O-CG 3.47Å
448	N	85.5	Confident	86.8	Confident	67 Å²	67	57.2 Å²	57.2	36%	0.358	29%	0.285	S	S	.	.	I	π-helix	trans	-97.3	-18.6	-167.8	-61.8	-51.9	0	0	0	113.8	W406 S444	W406-N448 HydrophobicContact CH2-CB 3.95Å; W406-N448 HydrophobicContact CZ2-CB 3.79Å; S444-N448 VanDerWaalsContact O-CB 3.32Å; S444-N448 WeakPolarHBondContact O-CB 2.95Å; S444-N448 PolarHBondContact O-N 3.15Å; S444-N448 PolarHBondContact O-ND2 3.36Å; S444-N448 PolarHBondContact OG-ND2 3.37Å
449	L	88.4	Confident	87.2	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.276	C	S	.	.	I	π-helix	trans	-124	-62.1	-177.8	-177.7	66.1	0	0	0	112	I404 W406 L445 P452 C453 L512 F515 V516	I404-L449 HydrophobicContact CD1-CD2 3.8Å; W406-L449 HydrophobicContact CH2-CB 3.74Å; W406-L449 HydrophobicContact CZ3-CB 3.89Å; W406-L449 HydrophobicContact CZ3-CD2 3.9Å; W406-L449 HydrophobicContact CZ3-CG 4.35Å; L445-L449 HydrophobicContact CD2-CD2 4.14Å; L445-L449 WeakPolarHBondContact O-CA 3.23Å; L445-L449 WeakPolarHBondContact O-CB 3.24Å; L445-L449 PolarHBondContact O-N 3.15Å; L449-P452 WeakPolarHBondContact O-CD 3.37Å; L449-C453 WeakPolarHBondContact O-CB 3.15Å; L449-C453 PolarHBondContact O-N 3.2Å; L449-C453 PolarHBondContact O-SG 2.84Å; L449-L512 HydrophobicContact CD1-CD1 4.22Å; L449-L512 HydrophobicContact CD2-CD1 4.04Å; L449-L512 HydrophobicContact CG-CD1 4Å; L449-F515 HydrophobicContact CD1-CD1 4.12Å; L449-F515 HydrophobicContact CD1-CE1 4.45Å; L449-V516 HydrophobicContact CD1-CG2 3.71Å; L449-V516 HydrophobicContact CD2-CG2 4.45Å
450	L	89.7	Confident	87.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-72.3	-37.1	-166	-60.1	171.2	0	0	0	114.2	L445 E446 N454 L455 L456 V459 I501 L512	L445-L450 PolarHBondContact O-N 3.16Å; E446-L450 HydrophobicContact CG-CD1 4.15Å; L450-N454 PolarHBondContact O-N 3.16Å; L450-L455 PolarHBondContact O-N 3.39Å; L450-L456 HydrophobicContact CB-CB 4.21Å; L450-L456 HydrophobicContact CB-CD1 4.12Å; L450-L456 HydrophobicContact CD1-CD1 4.02Å; L450-L456 PolarHBondContact O-N 2.99Å; L450-V459 HydrophobicContact CD1-CG2 3.93Å; L450-V459 HydrophobicContact CD2-CG2 3.75Å; L450-V459 HydrophobicContact CG-CG2 4.42Å; L450-I501 HydrophobicContact CD2-CD1 4.19Å; L450-L512 HydrophobicContact CD2-CD1 4.23Å
451	V	87.9	Confident	87.5	Confident	84 Å²	84	54.3 Å²	54.3	51%	0.509	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-48.4	174.9	169.7	0	0	0	0	111	E446 C453 N454 L456	E446-V451 VanDerWaalsContact O-CB 3.23Å; E446-V451 WeakPolarHBondContact O-CB 3.29Å; E446-V451 WeakPolarHBondContact O-CG2 3.37Å; E446-V451 PolarHBondContact O-N 3.21Å; V451-C453 VanDerWaalsContact C-N 3.29Å; V451-C453 PolarHBondContact O-N 3Å; V451-N454 WeakPolarHBondContact O-CA 3.32Å; V451-N454 PolarHBondContact O-N 3.04Å; V451-L456 HydrophobicContact CG2-CB 4.49Å; V451-L456 HydrophobicContact CG2-CD2 3.83Å
452	P	84.2	Confident	87.5	Confident	73 Å²	73	54.8 Å²	54.8	47%	0.474	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37.1	173.5	-29.2	36.1	0	0	0	114.4	K447 L449 N454 F515	K447-P452 VanDerWaalsContact O-CD 3.3Å; K447-P452 WeakPolarHBondContact O-CD 3.46Å; K447-P452 WeakPolarHBondContact O-CG 3.47Å; L449-P452 WeakPolarHBondContact O-CD 3.37Å; P452-N454 PolarHBondContact O-N 3.5Å; P452-F515 HydrophobicContact CB-CZ 4.11Å
453	C	83.8	Confident	87.4	Confident	21 Å²	21	53.1 Å²	53.1	14%	0.142	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.5	175	-62.8	0	0	0	0	113.6	L449 V451 L455 F515	L449-C453 WeakPolarHBondContact O-CB 3.15Å; L449-C453 PolarHBondContact O-N 3.2Å; L449-C453 PolarHBondContact O-SG 2.84Å; V451-C453 VanDerWaalsContact C-N 3.29Å; V451-C453 PolarHBondContact O-N 3Å; C453-L455 HydrophobicContact CB-CB 3.97Å; C453-L455 HydrophobicContact CB-CD1 3.74Å; C453-L455 HydrophobicContact CB-CG 3.71Å; C453-L455 PolarHBondContact O-N 3.3Å; C453-F515 HydrophobicContact CB-CG 4.42Å; C453-F515 WeakPolarHBondContact SG-CD1 3.38Å; C453-F515 WeakPolarHBondContact SG-CE1 3.34Å; C453-F515 WeakPolarHBondContact SG-CG 3.34Å
454	N	87.1	Confident	87.3	Confident	129 Å²	129	52 Å²	52	69%	0.69	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	31.5	-165.6	-164.8	29.5	0	0	0	113.6	L450 V451 P452	L450-N454 PolarHBondContact O-N 3.16Å; V451-N454 WeakPolarHBondContact O-CA 3.32Å; V451-N454 PolarHBondContact O-N 3.04Å; P452-N454 PolarHBondContact O-N 3.5Å
455	L	90.1	Very high	86.9	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.031	30%	0.299	C	S	.	.			trans	-105.6	0.2	-177.4	-69.1	177	0	0	0	113.3	L450 C453 K457 D458 V459 M503 A508 K511 L512	L450-L455 PolarHBondContact O-N 3.39Å; C453-L455 HydrophobicContact CB-CB 3.97Å; C453-L455 HydrophobicContact CB-CD1 3.74Å; C453-L455 HydrophobicContact CB-CG 3.71Å; C453-L455 PolarHBondContact O-N 3.3Å; L455-K457 PolarHBondContact O-N 3.45Å; L455-K457 VanDerWaalsContact O-N 3.15Å; L455-D458 HydrophobicContact CD2-CB 4.5Å; L455-D458 WeakPolarHBondContact CD2-OD2 3.34Å; L455-D458 WeakPolarHBondContact O-CB 3.45Å; L455-D458 PolarHBondContact O-N 2.96Å; L455-V459 PolarHBondContact O-N 3.4Å; L455-M503 HydrophobicContact CB-CE 4.16Å; L455-M503 HydrophobicContact CD1-CE 4.48Å; L455-A508 HydrophobicContact CD2-CB 4.2Å; L455-K511 HydrophobicContact CD1-CB 4.17Å; L455-K511 HydrophobicContact CD2-CB 4.38Å; L455-K511 HydrophobicContact CD2-CD 4.43Å; L455-L512 HydrophobicContact CD1-CB 3.72Å; L455-L512 HydrophobicContact CD1-CD1 3.89Å; L455-L512 HydrophobicContact CD1-CG 4.4Å
456	L	87.9	Confident	86.5	Confident	63 Å²	63	57.6 Å²	57.6	33%	0.33	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55.6	-35.8	-177.7	-176.8	62	0	0	0	113	E446 L450 V451 D458	E446-L456 HydrophobicContact CB-CD1 4.39Å; E446-L456 HydrophobicContact CG-CD1 3.67Å; L450-L456 HydrophobicContact CB-CB 4.21Å; L450-L456 HydrophobicContact CB-CD1 4.12Å; L450-L456 HydrophobicContact CD1-CD1 4.02Å; L450-L456 PolarHBondContact O-N 2.99Å; V451-L456 HydrophobicContact CG2-CB 4.49Å; V451-L456 HydrophobicContact CG2-CD2 3.83Å; L456-D458 VanDerWaalsContact C-N 3.28Å; L456-D458 PolarHBondContact O-N 3.26Å
457	K	87.1	Confident	86	Confident	166 Å²	166	60.2 Å²	60.2	72%	0.722	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-72.9	-21.7	178.4	-64.2	-178.3	-177.7	176.8	0	113	L455 K504	L455-K457 PolarHBondContact O-N 3.45Å; L455-K457 VanDerWaalsContact O-N 3.15Å; K457-K504 WeakPolarHBondContact O-CE 3.44Å; K457-K504 PolarHBondContact O-NZ 2.91Å
458	D	88.9	Confident	85.6	Confident	59 Å²	59	59 Å²	59	32%	0.316	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-91.9	-5.6	-176.7	-58	-39.4	0	0	0	112.9	L455 L456 A460 M503 K504 A508	L455-D458 HydrophobicContact CD2-CB 4.5Å; L455-D458 WeakPolarHBondContact CD2-OD2 3.34Å; L455-D458 WeakPolarHBondContact O-CB 3.45Å; L455-D458 PolarHBondContact O-N 2.96Å; L456-D458 VanDerWaalsContact C-N 3.28Å; L456-D458 PolarHBondContact O-N 3.26Å; D458-A460 PolarHBondContact O-N 3.19Å; D458-M503 HydrophobicContact CB-CE 3.79Å; D458-M503 CarbonylContact O-C 3.48Å; D458-M503 WeakPolarHBondContact O-CA 3.47Å; D458-K504 WeakPolarHBondContact O-CB 3.2Å; D458-K504 WeakPolarHBondContact O-CG 3.5Å; D458-K504 PolarHBondContact O-N 3.26Å; D458-A508 HydrophobicContact CB-CB 3.78Å
459	V	89.5	Confident	85.4	Confident	17 Å²	17	60 Å²	60	10%	0.103	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.9	175.4	176.7	0	0	0	0	110.1	L450 L455 V462 I501 M503	L450-V459 HydrophobicContact CD1-CG2 3.93Å; L450-V459 HydrophobicContact CD2-CG2 3.75Å; L450-V459 HydrophobicContact CG-CG2 4.42Å; L455-V459 PolarHBondContact O-N 3.4Å; V459-V462 HydrophobicContact CG1-CG2 3.75Å; V459-I501 HydrophobicContact CG1-CG2 4.07Å; V459-I501 HydrophobicContact CG2-CG2 4.12Å; V459-M503 HydrophobicContact CG2-CE 4.23Å; V459-M503 HydrophobicContact CG2-SD 3.99Å
460	A	85.3	Confident	85.1	Confident	32 Å²	32	60.4 Å²	60.4	26%	0.264	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-38.9	173.3	0	0	0	0	0	111.9	D458 R502 K504	D458-A460 PolarHBondContact O-N 3.19Å; A460-R502 WeakPolarHBondContact CA-O 3.23Å; A460-R502 HydrophobicContact CB-CG 4.4Å; A460-R502 WeakPolarHBondContact CB-O 3.46Å; A460-R502 PolarHBondContact N-O 3.24Å; A460-K504 HydrophobicContact CB-CG 3.87Å
461	H	87.6	Confident	84.9	Confident	92 Å²	92	60.9 Å²	60.9	43%	0.426	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	148.8	179.2	-177.2	-97.6	0	0	0	110.9	R502	H461-R502 HydrophobicContact CB-CB 4.32Å; H461-R502 PolarHBondContact N-O 3.36Å; H461-R502 VanDerWaalsContact N-O 3.13Å; H461-R502 PolarHBondContact O-N 3.4Å
462	V	87.7	Confident	84.6	Confident	11 Å²	11	60.9 Å²	60.9	7%	0.067	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.7	167	172.4	0	0	0	0	108.5	L445 V459 P464 F500 I501	L445-V462 HydrophobicContact CD1-CG1 3.98Å; V459-V462 HydrophobicContact CG1-CG2 3.75Å; V462-P464 VanDerWaalsContact O-CD 3.25Å; V462-P464 WeakPolarHBondContact O-CD 3.45Å; V462-F500 WeakPolarHBondContact CA-O 3.46Å; V462-I501 HydrophobicContact CG2-CB 4.36Å; V462-I501 HydrophobicContact CG2-CD1 4.21Å; V462-I501 HydrophobicContact CG2-CG1 3.95Å; V462-I501 HydrophobicContact CG2-CG2 4.04Å
463	D	85.8	Confident	84.5	Confident	37 Å²	37	59.5 Å²	59.5	20%	0.198	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	98.2	171	-174.6	8.9	0	0	0	109.5	N465 L499 F500	D463-N465 VanDerWaalsContact C-N 3.32Å; D463-N465 PolarHBondContact O-N 3.43Å; D463-N465 PolarHBondContact OD1-N 3Å; D463-L499 WeakPolarHBondContact O-CB 3.38Å; D463-F500 HydrophobicContact CB-CB 4.24Å; D463-F500 PolarHBondContact N-O 3.34Å; D463-F500 PolarHBondContact O-N 3.13Å; D463-F500 VanDerWaalsContact O-N 3.16Å
464	P	84	Confident	84.6	Confident	27 Å²	27	58.5 Å²	58.5	18%	0.175	32%	0.315	C	S	.	.	S	Bend	trans	-81	-8	-173.4	32.2	-35.8	0	0	0	114.1	A438 L441 V462	A438-P464 HydrophobicContact CB-CB 4.07Å; A438-P464 HydrophobicContact CB-CG 3.56Å; L441-P464 HydrophobicContact CD2-CB 3.63Å; L441-P464 WeakPolarHBondContact CD2-O 3.48Å; V462-P464 VanDerWaalsContact O-CD 3.25Å; V462-P464 WeakPolarHBondContact O-CD 3.45Å
465	N	79.6	Confident	84.4	Confident	105 Å²	105	55.1 Å²	55.1	56%	0.561	30%	0.297	S	S	*	.	S	Bend	trans	-149.5	74.3	-176.4	-169.9	81	0	0	0	111.4	D463	D463-N465 VanDerWaalsContact C-N 3.32Å; D463-N465 PolarHBondContact O-N 3.43Å; D463-N465 PolarHBondContact OD1-N 3Å
466	P	81.4	Confident	83.8	Confident	14 Å²	14	61.8 Å²	61.8	9%	0.091	33%	0.328	C	S	.	.			trans	-66.8	144.8	176.1	27.7	-33.4	0	0	0	111.8	L470 L471 P498 F500	P466-L470 HydrophobicContact CB-CD2 3.9Å; P466-L471 HydrophobicContact CB-CD2 4.2Å; P466-L471 HydrophobicContact CB-CG 4.32Å; P466-L471 HydrophobicContact CG-CD1 4.35Å; P466-L471 HydrophobicContact CG-CD2 3.82Å; P466-L471 HydrophobicContact CG-CG 4.19Å; P466-P498 WeakPolarHBondContact CD-O 3.41Å; P466-P498 WeakPolarHBondContact CG-O 3.22Å; P466-F500 HydrophobicContact CB-CD2 3.76Å; P466-F500 HydrophobicContact CB-CE2 3.49Å; P466-F500 VanDerWaalsContact CB-CE2 3.49Å; P466-F500 HydrophobicContact CG-CD2 4.03Å; P466-F500 HydrophobicContact CG-CE2 3.85Å
467	N	79.1	Confident	82.7	Confident	111 Å²	111	63.8 Å²	63.8	59%	0.594	33%	0.334	S	S	*	.			trans	-68.4	147.1	174.9	-70.3	-13.8	0	0	0	111	S469 L470 L471	N467-S469 VanDerWaalsContact C-N 3.31Å; N467-S469 PolarHBondContact O-N 3.48Å; N467-L470 WeakPolarHBondContact O-CA 3.38Å; N467-L470 WeakPolarHBondContact O-CB 3.41Å; N467-L470 PolarHBondContact O-N 3.04Å; N467-L471 PolarHBondContact O-N 3.49Å; N467-L471 VanDerWaalsContact O-N 3.15Å
468	Q	77.6	Confident	81.2	Confident	125 Å²	125	57.4 Å²	57.4	58%	0.584	32%	0.316	S	S	*	.	H	α-helix	trans	-54.1	-44.4	178.6	-169.5	61	37.9	0	0	112.9	L470 L471 D472	Q468-L470 PolarHBondContact O-N 3.05Å; Q468-L471 WeakPolarHBondContact O-CA 3.26Å; Q468-L471 WeakPolarHBondContact O-CB 3.26Å; Q468-L471 PolarHBondContact O-N 3.18Å; Q468-D472 PolarHBondContact NE2-OD1 2.84Å; Q468-D472 PolarHBondContact O-N 2.81Å
469	S	79.9	Confident	78.7	Confident	87 Å²	87	60.7 Å²	60.7	61%	0.608	34%	0.342	S	S	*	.	H	α-helix	trans	-59.2	-31.6	176.5	169.8	0	0	0	0	113.8	N467 S473	N467-S469 VanDerWaalsContact C-N 3.31Å; N467-S469 PolarHBondContact O-N 3.48Å; S469-S473 WeakPolarHBondContact O-CB 3.2Å; S469-S473 PolarHBondContact O-N 2.9Å; S469-S473 VanDerWaalsContact O-N 3.11Å; S469-S473 PolarHBondContact O-OG 2.92Å
470	L	83.9	Confident	76.1	Confident	9 Å²	9	64.8 Å²	64.8	5%	0.047	37%	0.37	C	S	.	.	H	α-helix	trans	-70.9	-44.4	173.8	166.4	63.2	0	0	0	110.3	P466 N467 Q468 D472 S473 V474 F500 Y537	P466-L470 HydrophobicContact CB-CD2 3.9Å; N467-L470 WeakPolarHBondContact O-CA 3.38Å; N467-L470 WeakPolarHBondContact O-CB 3.41Å; N467-L470 PolarHBondContact O-N 3.04Å; Q468-L470 PolarHBondContact O-N 3.05Å; L470-D472 VanDerWaalsContact C-N 3.33Å; L470-D472 PolarHBondContact O-N 3.34Å; L470-S473 PolarHBondContact O-N 3.27Å; L470-V474 HydrophobicContact CD1-CG2 3.6Å; L470-V474 HydrophobicContact CG-CG2 4.35Å; L470-V474 WeakPolarHBondContact O-CB 3.48Å; L470-V474 VanDerWaalsContact O-CG2 3.27Å; L470-V474 WeakPolarHBondContact O-CG2 3.33Å; L470-V474 PolarHBondContact O-N 3.3Å; L470-F500 HydrophobicContact CD2-CD2 4.28Å; L470-F500 HydrophobicContact CD2-CE2 3.79Å; L470-F500 HydrophobicContact CG-CE2 4.09Å; L470-F500 HydrophobicContact CG-CZ 4.48Å; L470-Y537 HydrophobicContact CD1-CD2 4.22Å; L470-Y537 HydrophobicContact CD2-CD2 3.99Å; L470-Y537 HydrophobicContact CD2-CE2 4.34Å
471	L	84.1	Confident	73.6	Confident	10 Å²	10	70.2 Å²	70.2	5%	0.052	39%	0.392	C	S	.	.	H	α-helix	trans	-59.1	-45.7	176.7	-65.2	170.5	0	0	0	111	P466 N467 Q468 S473 V474 N475 P498 F500	P466-L471 HydrophobicContact CB-CD2 4.2Å; P466-L471 HydrophobicContact CB-CG 4.32Å; P466-L471 HydrophobicContact CG-CD1 4.35Å; P466-L471 HydrophobicContact CG-CD2 3.82Å; P466-L471 HydrophobicContact CG-CG 4.19Å; N467-L471 PolarHBondContact O-N 3.49Å; N467-L471 VanDerWaalsContact O-N 3.15Å; Q468-L471 WeakPolarHBondContact O-CA 3.26Å; Q468-L471 WeakPolarHBondContact O-CB 3.26Å; Q468-L471 PolarHBondContact O-N 3.18Å; L471-S473 PolarHBondContact O-N 3.21Å; L471-V474 PolarHBondContact O-N 2.73Å; L471-N475 WeakPolarHBondContact O-CB 3.36Å; L471-N475 PolarHBondContact O-N 2.82Å; L471-N475 PolarHBondContact O-ND2 3Å; L471-P498 HydrophobicContact CD1-CB 4.2Å; L471-P498 HydrophobicContact CD1-CG 3.53Å; L471-P498 HydrophobicContact CD2-CB 3.71Å; L471-P498 HydrophobicContact CD2-CG 4Å; L471-P498 HydrophobicContact CG-CG 4.43Å; L471-F500 HydrophobicContact CD2-CE2 4.01Å; L471-F500 HydrophobicContact CD2-CZ 4.03Å
472	D	82.7	Confident	70.9	Confident	85 Å²	85	73.2 Å²	73.2	46%	0.455	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-45	178.4	-55.7	-26.6	0	0	0	111	Q468 L470 V474 N475 Q476	Q468-D472 PolarHBondContact NE2-OD1 2.84Å; Q468-D472 PolarHBondContact O-N 2.81Å; L470-D472 VanDerWaalsContact C-N 3.33Å; L470-D472 PolarHBondContact O-N 3.34Å; D472-V474 PolarHBondContact O-N 2.95Å; D472-N475 PolarHBondContact O-N 2.88Å; D472-Q476 WeakPolarHBondContact O-CB 3.35Å; D472-Q476 PolarHBondContact O-N 3.38Å
473	S	82.2	Confident	68.3	Low	43 Å²	43	77.5 Å²	77.5	30%	0.301	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-38.6	178.9	-56.1	0	0	0	0	112.6	S469 L470 L471 F477	S469-S473 WeakPolarHBondContact O-CB 3.2Å; S469-S473 PolarHBondContact O-N 2.9Å; S469-S473 VanDerWaalsContact O-N 3.11Å; S469-S473 PolarHBondContact O-OG 2.92Å; L470-S473 PolarHBondContact O-N 3.27Å; L471-S473 PolarHBondContact O-N 3.21Å; S473-F477 WeakPolarHBondContact O-CD2 3.32Å; S473-F477 VanDerWaalsContact O-CE2 3.28Å; S473-F477 WeakPolarHBondContact O-CE2 3.46Å
474	V	84.8	Confident	65.7	Low	0 Å²	0	81.9 Å²	81.9	0%	0	46%	0.463	C	S	.	.	H	α-helix	trans	-76.2	-33.3	178.9	169.8	0	0	0	0	111.5	L470 L471 D472 F500 R527 L529 S533 A536	L470-V474 HydrophobicContact CD1-CG2 3.6Å; L470-V474 HydrophobicContact CG-CG2 4.35Å; L470-V474 WeakPolarHBondContact O-CB 3.48Å; L470-V474 VanDerWaalsContact O-CG2 3.27Å; L470-V474 WeakPolarHBondContact O-CG2 3.33Å; L470-V474 PolarHBondContact O-N 3.3Å; L471-V474 PolarHBondContact O-N 2.73Å; D472-V474 PolarHBondContact O-N 2.95Å; V474-F500 HydrophobicContact CB-CZ 4.42Å; V474-F500 HydrophobicContact CG1-CE1 4.08Å; V474-F500 HydrophobicContact CG1-CZ 4.19Å; V474-F500 HydrophobicContact CG2-CZ 4.26Å; V474-R527 PolarHBondContact O-NH2 3.33Å; V474-R527 VanDerWaalsContact O-NH2 3.16Å; V474-L529 HydrophobicContact CG1-CD1 3.98Å; V474-L529 HydrophobicContact CG1-CD2 3.51Å; V474-L529 HydrophobicContact CG1-CG 4.41Å; V474-L529 HydrophobicContact CG2-CD1 4.46Å; V474-S533 PolarHBondContact O-OG 3.49Å; V474-A536 HydrophobicContact CG2-CB 4.18Å
475	N	82.3	Confident	63.3	Low	58 Å²	58	85.6 Å²	85.6	31%	0.31	50%	0.496	S	S	.	.	H	α-helix	trans	-80.2	-24.5	178.6	-67.5	-19.6	0	0	0	112.4	Q403 Y405 L471 D472 F477 G478 R527	Q403-N475 PolarHBondContact NE2-OD1 2.88Å; Y405-N475 PolarHBondContact OH-ND2 2.67Å; L471-N475 WeakPolarHBondContact O-CB 3.36Å; L471-N475 PolarHBondContact O-N 2.82Å; L471-N475 PolarHBondContact O-ND2 3Å; D472-N475 PolarHBondContact O-N 2.88Å; N475-F477 PolarHBondContact O-N 3.06Å; N475-G478 PolarHBondContact O-N 3.26Å; N475-R527 PolarHBondContact OD1-NH2 2.93Å
476	Q	78.4	Confident	61.1	Low	147 Å²	147	87.3 Å²	87.3	69%	0.687	51%	0.505	S	S	*	.	H	α-helix	trans	-57.7	-33.8	177.9	-175.1	176.1	15.1	0	0	113.5	D472	D472-Q476 WeakPolarHBondContact O-CB 3.35Å; D472-Q476 PolarHBondContact O-N 3.38Å
477	F	64.9	Low	58.9	Low	104 Å²	104	91.7 Å²	91.7	46%	0.456	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	2.3	-176.6	-54.6	-75.9	0	0	0	113.8	S473 N475 P532	S473-F477 WeakPolarHBondContact O-CD2 3.32Å; S473-F477 VanDerWaalsContact O-CE2 3.28Å; S473-F477 WeakPolarHBondContact O-CE2 3.46Å; N475-F477 PolarHBondContact O-N 3.06Å; F477-P532 HydrophobicContact CB-CB 4.21Å; F477-P532 HydrophobicContact CB-CG 3.75Å; F477-P532 HydrophobicContact CD1-CB 3.86Å; F477-P532 HydrophobicContact CD1-CG 3.94Å; F477-P532 HydrophobicContact CD2-CB 4.01Å; F477-P532 HydrophobicContact CD2-CG 4.48Å; F477-P532 HydrophobicContact CE1-CB 4.22Å; F477-P532 HydrophobicContact CE2-CB 4.38Å; F477-P532 HydrophobicContact CG-CB 3.75Å; F477-P532 HydrophobicContact CG-CG 3.81Å; F477-P532 HydrophobicContact CZ-CB 4.48Å
478	G	55.2	Low	56.5	Low	33 Å²	33	93.3 Å²	93.3	34%	0.34	54%	0.536	S	S	.	.			trans	-92.7	101.8	-178.5	0	0	0	0	0	112.7	N475	N475-G478 PolarHBondContact O-N 3.26Å
479	C	37	Very low	54.5	Low	127 Å²	127	95.8 Å²	95.8	86%	0.858	55%	0.548	S	S	*	.			trans	-66.2	133.7	169.7	-159.2	0	0	0	0	110.7
480	C	34.1	Very low	52.3	Low	104 Å²	104	97.5 Å²	97.5	70%	0.703	56%	0.559	S	S	*	*			trans	47.4	105.2	167.5	-142.3	0	0	0	0	116.6	I482	C480-I482 PolarHBondContact O-N 2.74Å
481	M	32.5	Very low	50.2	Low	146 Å²	146	101.8 Å²	101.8	72%	0.719	58%	0.582	S	S	*	*			trans	-51.4	114	151.3	-65.3	-73.6	-113.1	0	0	106.2	S483	M481-S483 PolarHBondContact O-N 2.76Å
482	I	32.5	Very low	48.3	Very low	154 Å²	154	105 Å²	105	79%	0.79	60%	0.604	S	S	*	*			trans	-69.6	92.2	163.9	-60	172.7	0	0	0	103.6	C480 N484	C480-I482 PolarHBondContact O-N 2.74Å; I482-N484 PolarHBondContact O-N 2.91Å
483	S	32.6	Very low	46.9	Very low	101 Å²	101	106 Å²	106	71%	0.706	62%	0.618	S	S	*	*			trans	-55.3	107.8	163.6	-51.1	0	0	0	0	105.6	M481 A485	M481-S483 PolarHBondContact O-N 2.76Å; S483-A485 PolarHBondContact O-N 2.92Å
484	N	31.2	Very low	45.6	Very low	130 Å²	130	110.8 Å²	110.8	70%	0.695	64%	0.641	S	S	*	*			trans	-51.7	120.2	159.6	-86.9	-18.9	0	0	0	105.6	I482 N486	I482-N484 PolarHBondContact O-N 2.91Å; N484-N486 CarbonylContact O-C 3.6Å; N484-N486 PolarHBondContact O-N 3.42Å
485	A	32.8	Very low	45.2	Very low	104 Å²	104	115.5 Å²	115.5	86%	0.86	66%	0.663	S	S	*	*	S	Bend	trans	-64.8	15	-176.5	0	0	0	0	0	113.9	S483	S483-A485 PolarHBondContact O-N 2.92Å
486	N	34.6	Very low	45.3	Very low	142 Å²	142	115.2 Å²	115.2	76%	0.759	66%	0.659	S	S	*	*			trans	-132.9	89.9	170.1	-73.3	-30.7	0	0	0	107.2	N484	N484-N486 CarbonylContact O-C 3.6Å; N484-N486 PolarHBondContact O-N 3.42Å
487	L	33.8	Very low	45.7	Very low	105 Å²	105	109.2 Å²	109.2	55%	0.55	63%	0.632	S	S	.	*			trans	-173.1	123.9	140.4	-97.7	162	0	0	0	109
488	N	29.8	Very low	46.9	Very low	145 Å²	145	105.6 Å²	105.6	78%	0.775	62%	0.619	S	S	*	*			trans	-61.4	152.6	-176.1	-68.2	-33.7	0	0	0	112.8
489	E	34.4	Very low	48.6	Very low	178 Å²	178	104 Å²	104	83%	0.832	60%	0.603	S	S	*	*	S	Bend	trans	-3.5	130.5	155.8	-68.5	170.5	146.1	0	0	117.4
490	S	35.5	Very low	51.3	Low	122 Å²	122	98 Å²	98	85%	0.853	56%	0.562	S	S	*	*			trans	65.4	73.7	157.8	59.1	0	0	0	0	118
491	I	38	Very low	54	Low	100 Å²	100	93 Å²	93	51%	0.513	53%	0.528	S	S	.	.			trans	-110.5	117.8	156.1	-57.5	172.7	0	0	0	107.6	F496	I491-F496 HydrophobicContact CG2-CE2 4.38Å
492	S	45.6	Very low	56.8	Low	76 Å²	76	87 Å²	87	53%	0.531	50%	0.498	S	S	.	.			trans	-62.8	140.6	179.1	53.5	0	0	0	0	111.6	D494	S492-D494 PolarHBondContact O-N 2.99Å
493	S	52.7	Low	59.6	Low	107 Å²	107	79.7 Å²	79.7	75%	0.748	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-55.3	-17.6	-179.2	48.6	0	0	0	0	116	E495	S493-E495 VanDerWaalsContact C-N 3.31Å; S493-E495 PolarHBondContact O-N 3.32Å
494	D	55.4	Low	62.2	Low	144 Å²	144	80.6 Å²	80.6	77%	0.77	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-80.4	-2.4	-171.4	-74.9	-8.1	0	0	0	115	S492	S492-D494 PolarHBondContact O-N 2.99Å
495	E	76.6	Confident	64.8	Low	98 Å²	98	77.7 Å²	77.7	46%	0.458	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-86.2	-19.1	-178.3	-68.3	-167.5	156.4	0	0	114.4	S408 S493	S408-E495 VanDerWaalsContact CB-O 3.26Å; S408-E495 WeakPolarHBondContact CB-O 3.4Å; S408-E495 PolarHBondContact N-O 3.46Å; S408-E495 PolarHBondContact OG-O 2.99Å; S493-E495 VanDerWaalsContact C-N 3.31Å; S493-E495 PolarHBondContact O-N 3.32Å
496	F	84.4	Confident	67.5	Low	52 Å²	52	76 Å²	76	23%	0.228	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134	-171.1	-66.9	-95.6	0	0	0	113.3	Y405 W406 P407 I491 G523	Y405-F496 HydrophobicContact CD1-CB 4.41Å; W406-F496 CarbonylContact O-C 3.57Å; W406-F496 WeakPolarHBondContact O-CA 3.22Å; P407-F496 HydrophobicContact CB-CD1 4.39Å; P407-F496 HydrophobicContact CB-CE1 4.11Å; P407-F496 HydrophobicContact CG-CD1 4.23Å; P407-F496 HydrophobicContact CG-CE1 3.79Å; I491-F496 HydrophobicContact CG2-CE2 4.38Å; F496-G523 VanDerWaalsContact CE1-O 3.24Å; F496-G523 WeakPolarHBondContact CE1-O 3.39Å
497	V	86.2	Confident	70	Confident	21 Å²	21	75.8 Å²	75.8	13%	0.127	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.7	178.8	-174.3	0	0	0	0	109.3	W406 S408 I411 F437 L441	W406-V497 PolarHBondContact N-O 3.1Å; W406-V497 PolarHBondContact O-N 3.18Å; S408-V497 WeakPolarHBondContact OG-CG2 2.89Å; I411-V497 HydrophobicContact CD1-CG2 3.89Å; F437-V497 HydrophobicContact CE1-CG1 4.23Å; F437-V497 HydrophobicContact CZ-CG1 4.22Å; F437-V497 HydrophobicContact CZ-CG2 4.06Å; L441-V497 HydrophobicContact CD2-CG1 4.23Å
498	P	89.8	Confident	72.8	Confident	28 Å²	28	71 Å²	71	18%	0.182	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.3	176.1	30.9	-34	0	0	0	111	I404 Y405 P466 L471	I404-P498 WeakPolarHBondContact O-CA 3.15Å; Y405-P498 HydrophobicContact CD1-CB 4.07Å; Y405-P498 HydrophobicContact CE1-CB 3.83Å; P466-P498 WeakPolarHBondContact CD-O 3.41Å; P466-P498 WeakPolarHBondContact CG-O 3.22Å; L471-P498 HydrophobicContact CD1-CB 4.2Å; L471-P498 HydrophobicContact CD1-CG 3.53Å; L471-P498 HydrophobicContact CD2-CB 3.71Å; L471-P498 HydrophobicContact CD2-CG 4Å; L471-P498 HydrophobicContact CG-CG 4.43Å
499	L	91.9	Very high	75.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	162.7	177	64.5	93.6	0	0	0	111.4	Q403 I404 W406 L441 L445 D463 I501	Q403-L499 WeakPolarHBondContact CA-O 3.33Å; I404-L499 HydrophobicContact CB-CD1 3.92Å; I404-L499 HydrophobicContact CB-CG 4.16Å; I404-L499 HydrophobicContact CD1-CD1 4.46Å; I404-L499 HydrophobicContact CG1-CD1 4.44Å; I404-L499 PolarHBondContact N-O 3.4Å; I404-L499 PolarHBondContact O-N 3.39Å; W406-L499 HydrophobicContact CB-CD2 3.68Å; W406-L499 HydrophobicContact CG-CD2 4.34Å; L441-L499 HydrophobicContact CD1-CD2 4.06Å; L441-L499 HydrophobicContact CD2-CB 4.43Å; L441-L499 HydrophobicContact CD2-CD2 3.78Å; L441-L499 HydrophobicContact CG-CD2 4.08Å; L445-L499 HydrophobicContact CD1-CD1 3.8Å; L445-L499 HydrophobicContact CD1-CD2 3.68Å; L445-L499 HydrophobicContact CD1-CG 4.39Å; L445-L499 HydrophobicContact CD2-CD1 4.43Å; L445-L499 HydrophobicContact CD2-CD2 4.13Å; L445-L499 HydrophobicContact CG-CD2 4.23Å; D463-L499 WeakPolarHBondContact O-CB 3.38Å; L499-I501 HydrophobicContact CD1-CD1 4.07Å; L499-I501 HydrophobicContact CD1-CG1 3.61Å
500	F	92	Very high	78.4	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135	176.2	-60.4	-80.9	0	0	0	111.2	I401 V402 Q403 V462 D463 P466 L470 L471 V474 L529 Y537	I401-F500 HydrophobicContact CG2-CB 4.5Å; I401-F500 HydrophobicContact CG2-CD1 4.29Å; V402-F500 CarbonylContact O-C 3.57Å; V402-F500 WeakPolarHBondContact O-CA 3.41Å; Q403-F500 HydrophobicContact CB-CD1 3.8Å; Q403-F500 HydrophobicContact CB-CE1 3.62Å; Q403-F500 HydrophobicContact CG-CD1 4.11Å; Q403-F500 HydrophobicContact CG-CE1 3.62Å; Q403-F500 HydrophobicContact CG-CZ 4.25Å; V462-F500 WeakPolarHBondContact CA-O 3.46Å; D463-F500 HydrophobicContact CB-CB 4.24Å; D463-F500 PolarHBondContact N-O 3.34Å; D463-F500 PolarHBondContact O-N 3.13Å; D463-F500 VanDerWaalsContact O-N 3.16Å; P466-F500 HydrophobicContact CB-CD2 3.76Å; P466-F500 HydrophobicContact CB-CE2 3.49Å; P466-F500 VanDerWaalsContact CB-CE2 3.49Å; P466-F500 HydrophobicContact CG-CD2 4.03Å; P466-F500 HydrophobicContact CG-CE2 3.85Å; L470-F500 HydrophobicContact CD2-CD2 4.28Å; L470-F500 HydrophobicContact CD2-CE2 3.79Å; L470-F500 HydrophobicContact CG-CE2 4.09Å; L470-F500 HydrophobicContact CG-CZ 4.48Å; L471-F500 HydrophobicContact CD2-CE2 4.01Å; L471-F500 HydrophobicContact CD2-CZ 4.03Å; V474-F500 HydrophobicContact CB-CZ 4.42Å; V474-F500 HydrophobicContact CG1-CE1 4.08Å; V474-F500 HydrophobicContact CG1-CZ 4.19Å; V474-F500 HydrophobicContact CG2-CZ 4.26Å; F500-L529 HydrophobicContact CD1-CD1 3.97Å; F500-L529 HydrophobicContact CE1-CD1 3.76Å; F500-L529 HydrophobicContact CE1-CD2 4.41Å; F500-L529 HydrophobicContact CE1-CG 4.46Å; F500-Y537 HydrophobicContact CB-CD2 4.33Å; F500-Y537 HydrophobicContact CB-CE2 3.54Å; F500-Y537 HydrophobicContact CD1-CD2 4.11Å; F500-Y537 HydrophobicContact CD1-CE2 4.16Å; F500-Y537 AromaticContact CD2-CD2 3.91Å; F500-Y537 HydrophobicContact CD2-CD2 3.91Å; F500-Y537 AromaticContact CD2-CE2 3.59Å; F500-Y537 HydrophobicContact CD2-CE2 3.59Å; F500-Y537 HydrophobicContact CE1-CD2 4.4Å; F500-Y537 HydrophobicContact CE2-CD2 4.2Å; F500-Y537 HydrophobicContact CE2-CE2 4.31Å; F500-Y537 AromaticContact CG-CD2 3.86Å; F500-Y537 HydrophobicContact CG-CD2 3.86Å; F500-Y537 AromaticContact CG-CE2 3.49Å; F500-Y537 HydrophobicContact CG-CE2 3.49Å; F500-Y537 VanDerWaalsContact CG-CE2 3.49Å; F500-Y537 HydrophobicContact CZ-CD2 4.44Å
501	I	92	Very high	80.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122	171.9	-53.9	-165	0	0	0	107.9	V402 I404 L445 L450 V459 V462 L499 M503 L512	V402-I501 PolarHBondContact N-O 3.21Å; V402-I501 PolarHBondContact O-N 3.45Å; I404-I501 HydrophobicContact CD1-CD1 3.55Å; I404-I501 HydrophobicContact CD1-CG1 3.95Å; L445-I501 HydrophobicContact CD1-CD1 4.44Å; L450-I501 HydrophobicContact CD2-CD1 4.19Å; V459-I501 HydrophobicContact CG1-CG2 4.07Å; V459-I501 HydrophobicContact CG2-CG2 4.12Å; V462-I501 HydrophobicContact CG2-CB 4.36Å; V462-I501 HydrophobicContact CG2-CD1 4.21Å; V462-I501 HydrophobicContact CG2-CG1 3.95Å; V462-I501 HydrophobicContact CG2-CG2 4.04Å; L499-I501 HydrophobicContact CD1-CD1 4.07Å; L499-I501 HydrophobicContact CD1-CG1 3.61Å; I501-M503 HydrophobicContact CG2-SD 3.58Å; I501-M503 VanDerWaalsContact CG2-SD 3.58Å; I501-L512 HydrophobicContact CD1-CD2 4.41Å
502	R	90.6	Very high	83.4	Confident	21 Å²	21	55.6 Å²	55.6	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.4	169.5	-168.7	179.1	76.7	-164.7	11.9	109.1	N395 I401 A460 H461	N395-R502 PolarHBondContact OD1-NH2 2.62Å; N395-R502 VanDerWaalsContact OD1-NH2 3.11Å; I401-R502 HydrophobicContact CG1-CB 4.41Å; I401-R502 HydrophobicContact CG1-CG 4Å; A460-R502 WeakPolarHBondContact CA-O 3.23Å; A460-R502 HydrophobicContact CB-CG 4.4Å; A460-R502 WeakPolarHBondContact CB-O 3.46Å; A460-R502 PolarHBondContact N-O 3.24Å; H461-R502 HydrophobicContact CB-CB 4.32Å; H461-R502 PolarHBondContact N-O 3.36Å; H461-R502 VanDerWaalsContact N-O 3.13Å; H461-R502 PolarHBondContact O-N 3.4Å
503	M	91.2	Very high	85.5	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	157.9	174.9	-56	-54.9	-73.4	0	0	110.7	S400 V402 L455 D458 V459 I501 D505 A508 A509 L512	S400-M503 WeakPolarHBondContact CB-O 3.41Å; S400-M503 WeakPolarHBondContact O-CB 3.25Å; S400-M503 PolarHBondContact O-N 2.84Å; S400-M503 PolarHBondContact OG-O 3.16Å; S400-M503 VanDerWaalsContact OG-O 3.07Å; V402-M503 HydrophobicContact CG2-CG 4.46Å; L455-M503 HydrophobicContact CB-CE 4.16Å; L455-M503 HydrophobicContact CD1-CE 4.48Å; D458-M503 HydrophobicContact CB-CE 3.79Å; D458-M503 CarbonylContact O-C 3.48Å; D458-M503 WeakPolarHBondContact O-CA 3.47Å; V459-M503 HydrophobicContact CG2-CE 4.23Å; V459-M503 HydrophobicContact CG2-SD 3.99Å; I501-M503 HydrophobicContact CG2-SD 3.58Å; I501-M503 VanDerWaalsContact CG2-SD 3.58Å; M503-D505 VanDerWaalsContact C-N 3.32Å; M503-D505 WeakPolarHBondContact CB-O 3.34Å; M503-A508 HydrophobicContact CB-CB 4.28Å; M503-A508 HydrophobicContact CE-CB 3.63Å; M503-A509 HydrophobicContact CB-CB 4.23Å; M503-A509 HydrophobicContact CG-CB 3.9Å; M503-L512 HydrophobicContact SD-CD2 4.18Å
504	K	86.7	Confident	87.2	Confident	119 Å²	119	53.5 Å²	53.5	52%	0.517	26%	0.26	S	S	.	.	S	Bend	trans	-75.3	-24.8	172.9	-69.9	176.8	-177.2	171.1	0	112.4	V397 K457 D458 A460	V397-K504 WeakPolarHBondContact CG2-O 3.41Å; K457-K504 WeakPolarHBondContact O-CE 3.44Å; K457-K504 PolarHBondContact O-NZ 2.91Å; D458-K504 WeakPolarHBondContact O-CB 3.2Å; D458-K504 WeakPolarHBondContact O-CG 3.5Å; D458-K504 PolarHBondContact O-N 3.26Å; A460-K504 HydrophobicContact CB-CG 3.87Å
505	D	86.2	Confident	88.7	Confident	69 Å²	69	50 Å²	50	37%	0.369	24%	0.238	S	C	.	.	S	Bend	trans	-138.8	147.9	-174.9	-169.5	10.3	0	0	0	110.4	M503 K507 A508 A509	M503-D505 VanDerWaalsContact C-N 3.32Å; M503-D505 WeakPolarHBondContact CB-O 3.34Å; D505-K507 VanDerWaalsContact C-N 3.33Å; D505-A508 HydrophobicContact CB-CB 4.36Å; D505-A508 PolarHBondContact O-N 3.16Å; D505-A509 PolarHBondContact O-N 2.83Å
506	N	89.2	Confident	89.1	Confident	68 Å²	68	45.8 Å²	45.8	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-35	178	65.8	-14.8	0	0	0	111.5	A508 A509 L510	N506-A508 VanDerWaalsContact C-N 3.27Å; N506-A508 PolarHBondContact O-N 3.4Å; N506-A509 WeakPolarHBondContact O-CB 3.49Å; N506-A509 PolarHBondContact O-N 2.9Å; N506-L510 PolarHBondContact O-N 2.89Å
507	K	88.9	Confident	89	Confident	138 Å²	138	48.6 Å²	48.6	60%	0.6	24%	0.236	S	C	*	.	H	α-helix	trans	-61.1	-37.4	174.8	-67.4	177.5	-177.7	173.4	0	111.8	D505 L510 K511	D505-K507 VanDerWaalsContact C-N 3.33Å; K507-L510 PolarHBondContact O-N 3.4Å; K507-K511 WeakPolarHBondContact O-CG 3.47Å; K507-K511 PolarHBondContact O-N 2.95Å
508	A	91	Very high	88.7	Confident	5 Å²	5	54.7 Å²	54.7	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-70.1	-36.1	177.9	0	0	0	0	0	111.8	L455 D458 M503 D505 N506 K511 L512	L455-A508 HydrophobicContact CD2-CB 4.2Å; D458-A508 HydrophobicContact CB-CB 3.78Å; M503-A508 HydrophobicContact CB-CB 4.28Å; M503-A508 HydrophobicContact CE-CB 3.63Å; D505-A508 HydrophobicContact CB-CB 4.36Å; D505-A508 PolarHBondContact O-N 3.16Å; N506-A508 VanDerWaalsContact C-N 3.27Å; N506-A508 PolarHBondContact O-N 3.4Å; A508-K511 PolarHBondContact O-N 3.35Å; A508-L512 WeakPolarHBondContact O-CB 3.38Å; A508-L512 PolarHBondContact O-N 3.05Å
509	A	90.8	Very high	88	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-44.1	173.2	0	0	0	0	0	111.9	V402 M503 D505 N506 L512 V513 I528	V402-A509 HydrophobicContact CG2-CB 3.77Å; M503-A509 HydrophobicContact CB-CB 4.23Å; M503-A509 HydrophobicContact CG-CB 3.9Å; D505-A509 PolarHBondContact O-N 2.83Å; N506-A509 WeakPolarHBondContact O-CB 3.49Å; N506-A509 PolarHBondContact O-N 2.9Å; A509-L512 WeakPolarHBondContact O-CB 3.35Å; A509-L512 PolarHBondContact O-N 2.67Å; A509-V513 PolarHBondContact O-N 2.95Å; A509-V513 VanDerWaalsContact O-N 3.12Å; A509-I528 HydrophobicContact CB-CD1 4.1Å
510	L	91	Very high	86.7	Confident	92 Å²	92	61.6 Å²	61.6	48%	0.482	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-46	175	-72.6	167.7	0	0	0	112.3	N506 K507 L512 V513 Q514 I528	N506-L510 PolarHBondContact O-N 2.89Å; K507-L510 PolarHBondContact O-N 3.4Å; L510-L512 VanDerWaalsContact C-N 3.29Å; L510-L512 PolarHBondContact O-N 2.8Å; L510-V513 PolarHBondContact O-N 3.09Å; L510-Q514 WeakPolarHBondContact O-CB 3.49Å; L510-Q514 VanDerWaalsContact O-CG 3.32Å; L510-Q514 WeakPolarHBondContact O-CG 3.4Å; L510-Q514 PolarHBondContact O-N 2.86Å; L510-I528 HydrophobicContact CD2-CD1 3.59Å; L510-I528 HydrophobicContact CG-CD1 3.94Å
511	K	89.8	Confident	85.6	Confident	129 Å²	129	63.7 Å²	63.7	56%	0.561	32%	0.321	S	S	*	.	H	α-helix	trans	-58.7	-40.4	175.3	-76.7	179.2	-179.4	-179	0	112.1	L455 K507 A508 F515	L455-K511 HydrophobicContact CD1-CB 4.17Å; L455-K511 HydrophobicContact CD2-CB 4.38Å; L455-K511 HydrophobicContact CD2-CD 4.43Å; K507-K511 WeakPolarHBondContact O-CG 3.47Å; K507-K511 PolarHBondContact O-N 2.95Å; A508-K511 PolarHBondContact O-N 3.35Å; K511-F515 WeakPolarHBondContact O-CB 3.46Å; K511-F515 PolarHBondContact O-N 3Å
512	L	90.3	Very high	84.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-47.7	179.1	-173	64	0	0	0	111.5	V402 I404 L449 L450 L455 I501 M503 A508 A509 L510 F515 V516	V402-L512 HydrophobicContact CB-CD2 4.27Å; V402-L512 HydrophobicContact CG1-CD2 4.25Å; V402-L512 HydrophobicContact CG2-CD2 4.18Å; I404-L512 HydrophobicContact CD1-CD2 4.11Å; L449-L512 HydrophobicContact CD1-CD1 4.22Å; L449-L512 HydrophobicContact CD2-CD1 4.04Å; L449-L512 HydrophobicContact CG-CD1 4Å; L450-L512 HydrophobicContact CD2-CD1 4.23Å; L455-L512 HydrophobicContact CD1-CB 3.72Å; L455-L512 HydrophobicContact CD1-CD1 3.89Å; L455-L512 HydrophobicContact CD1-CG 4.4Å; I501-L512 HydrophobicContact CD1-CD2 4.41Å; M503-L512 HydrophobicContact SD-CD2 4.18Å; A508-L512 WeakPolarHBondContact O-CB 3.38Å; A508-L512 PolarHBondContact O-N 3.05Å; A509-L512 WeakPolarHBondContact O-CB 3.35Å; A509-L512 PolarHBondContact O-N 2.67Å; L510-L512 VanDerWaalsContact C-N 3.29Å; L510-L512 PolarHBondContact O-N 2.8Å; L512-F515 PolarHBondContact O-N 2.9Å; L512-V516 WeakPolarHBondContact O-CG2 3.32Å; L512-V516 PolarHBondContact O-N 3.49Å
513	V	89.7	Confident	83.5	Confident	21 Å²	21	71 Å²	71	13%	0.127	37%	0.366	C	S	.	.	H	α-helix	trans	-65.8	-41.7	178.7	173.8	0	0	0	0	111.6	V402 A509 L510 F515 V516 N517 A526 I528	V402-V513 HydrophobicContact CG1-CG2 3.8Å; V402-V513 HydrophobicContact CG2-CG2 4.44Å; A509-V513 PolarHBondContact O-N 2.95Å; A509-V513 VanDerWaalsContact O-N 3.12Å; L510-V513 PolarHBondContact O-N 3.09Å; V513-F515 VanDerWaalsContact C-N 3.32Å; V513-F515 PolarHBondContact O-N 3.48Å; V513-V516 PolarHBondContact O-N 2.91Å; V513-N517 PolarHBondContact O-N 3.38Å; V513-A526 HydrophobicContact CG2-CB 4.15Å; V513-I528 HydrophobicContact CG2-CD1 4.38Å; V513-I528 HydrophobicContact CG2-CG1 3.7Å
514	Q	87.5	Confident	83.1	Confident	118 Å²	118	71.9 Å²	71.9	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-59.1	-43.4	173.7	-74.5	176	-8.9	0	0	111.9	L510 N517 L518	L510-Q514 WeakPolarHBondContact O-CB 3.49Å; L510-Q514 VanDerWaalsContact O-CG 3.32Å; L510-Q514 WeakPolarHBondContact O-CG 3.4Å; L510-Q514 PolarHBondContact O-N 2.86Å; Q514-N517 PolarHBondContact O-N 3.43Å; Q514-L518 WeakPolarHBondContact O-CB 3.49Å; Q514-L518 WeakPolarHBondContact O-CG 3.33Å; Q514-L518 PolarHBondContact O-N 3.18Å
515	F	86.1	Confident	83	Confident	71 Å²	71	69.3 Å²	69.3	31%	0.311	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-44.3	178.1	-170.8	-85.1	0	0	0	111.5	L449 P452 C453 K511 L512 V513 N517 L518 S519	L449-F515 HydrophobicContact CD1-CD1 4.12Å; L449-F515 HydrophobicContact CD1-CE1 4.45Å; P452-F515 HydrophobicContact CB-CZ 4.11Å; C453-F515 HydrophobicContact CB-CG 4.42Å; C453-F515 WeakPolarHBondContact SG-CD1 3.38Å; C453-F515 WeakPolarHBondContact SG-CE1 3.34Å; C453-F515 WeakPolarHBondContact SG-CG 3.34Å; K511-F515 WeakPolarHBondContact O-CB 3.46Å; K511-F515 PolarHBondContact O-N 3Å; L512-F515 PolarHBondContact O-N 2.9Å; V513-F515 VanDerWaalsContact C-N 3.32Å; V513-F515 PolarHBondContact O-N 3.48Å; F515-N517 VanDerWaalsContact C-N 3.32Å; F515-N517 PolarHBondContact O-N 2.94Å; F515-L518 CarbonylContact O-C 3.57Å; F515-L518 PolarHBondContact O-N 3.32Å; F515-S519 WeakPolarHBondContact CD1-OG 3.3Å; F515-S519 WeakPolarHBondContact CE1-OG 3.31Å; F515-S519 WeakPolarHBondContact O-CB 3.25Å; F515-S519 PolarHBondContact O-N 2.93Å; F515-S519 PolarHBondContact O-OG 2.86Å
516	V	86.4	Confident	83.1	Confident	9 Å²	9	66.6 Å²	66.6	6%	0.055	35%	0.352	C	S	.	.	H	α-helix	trans	-61	-42.3	177	174.5	0	0	0	0	111	L449 L512 V513 L518 S519 V524 A526	L449-V516 HydrophobicContact CD1-CG2 3.71Å; L449-V516 HydrophobicContact CD2-CG2 4.45Å; L512-V516 WeakPolarHBondContact O-CG2 3.32Å; L512-V516 PolarHBondContact O-N 3.49Å; V513-V516 PolarHBondContact O-N 2.91Å; V516-L518 VanDerWaalsContact C-N 3.27Å; V516-L518 PolarHBondContact O-N 3.33Å; V516-S519 WeakPolarHBondContact O-CB 3.24Å; V516-S519 PolarHBondContact O-N 3.39Å; V516-S519 VanDerWaalsContact O-N 3.16Å; V516-V524 HydrophobicContact CG1-CB 4.06Å; V516-V524 HydrophobicContact CG1-CG1 3.71Å; V516-V524 WeakPolarHBondContact CG1-O 3.44Å; V516-A526 HydrophobicContact CB-CB 3.86Å; V516-A526 HydrophobicContact CG1-CB 3.83Å; V516-A526 HydrophobicContact CG2-CB 3.88Å
517	N	81	Confident	83.1	Confident	111 Å²	111	66.9 Å²	66.9	59%	0.594	35%	0.348	S	S	*	.	H	α-helix	trans	-65	-29.3	177.3	-70.8	-13	0	0	0	113.5	V513 Q514 F515	V513-N517 PolarHBondContact O-N 3.38Å; Q514-N517 PolarHBondContact O-N 3.43Å; F515-N517 VanDerWaalsContact C-N 3.32Å; F515-N517 PolarHBondContact O-N 2.94Å
518	L	81.5	Confident	83.2	Confident	150 Å²	150	61.7 Å²	61.7	79%	0.785	33%	0.327	S	S	*	.	H	α-helix	trans	-90.3	-9.6	176.4	-69.4	166	0	0	0	113.2	Q514 F515 V516	Q514-L518 WeakPolarHBondContact O-CB 3.49Å; Q514-L518 WeakPolarHBondContact O-CG 3.33Å; Q514-L518 PolarHBondContact O-N 3.18Å; F515-L518 CarbonylContact O-C 3.57Å; F515-L518 PolarHBondContact O-N 3.32Å; V516-L518 VanDerWaalsContact C-N 3.27Å; V516-L518 PolarHBondContact O-N 3.33Å
519	S	73.9	Confident	83.1	Confident	33 Å²	33	61.5 Å²	61.5	23%	0.231	33%	0.325	C	S	.	.			trans	-76.4	149.6	-173.2	-72	0	0	0	0	112.1	F515 V516 I521	F515-S519 WeakPolarHBondContact CD1-OG 3.3Å; F515-S519 WeakPolarHBondContact CE1-OG 3.31Å; F515-S519 WeakPolarHBondContact O-CB 3.25Å; F515-S519 PolarHBondContact O-N 2.93Å; F515-S519 PolarHBondContact O-OG 2.86Å; V516-S519 WeakPolarHBondContact O-CB 3.24Å; V516-S519 PolarHBondContact O-N 3.39Å; V516-S519 VanDerWaalsContact O-N 3.16Å; S519-I521 VanDerWaalsContact C-N 3.25Å; S519-I521 PolarHBondContact O-N 3.38Å
520	T	64.7	Low	82.8	Confident	140 Å²	140	67.3 Å²	67.3	86%	0.859	35%	0.352	S	S	*	.			trans	-81.8	0.3	172.5	50	0	0	0	0	113.6	H522	T520-H522 PolarHBondContact O-N 3.16Å
521	I	68.3	Low	82.5	Confident	43 Å²	43	65.1 Å²	65.1	22%	0.221	35%	0.352	C	S	.	.	S	Bend	trans	-71.4	102.4	-179.7	-46.4	174.3	0	0	0	108	W406 L410 S519 G523 V524	W406-I521 HydrophobicContact CH2-CD1 4.16Å; L410-I521 HydrophobicContact CD1-CG2 3.84Å; S519-I521 VanDerWaalsContact C-N 3.25Å; S519-I521 PolarHBondContact O-N 3.38Å; I521-G523 PolarHBondContact O-N 3.14Å; I521-V524 HydrophobicContact CB-CG2 3.74Å; I521-V524 HydrophobicContact CG2-CG2 3.34Å; I521-V524 PolarHBondContact O-N 3.26Å
522	H	64.9	Low	82.2	Confident	142 Å²	142	62.4 Å²	62.4	66%	0.657	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	126.7	-170.9	-133.6	63.8	0	0	0	111.8	T520 V524	T520-H522 PolarHBondContact O-N 3.16Å; H522-V524 VanDerWaalsContact C-N 3.33Å; H522-V524 PolarHBondContact O-N 3.26Å
523	G	73.3	Confident	82	Confident	34 Å²	34	62.8 Å²	62.8	35%	0.351	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	-1.1	172.3	0	0	0	0	0	117	F496 I521 T525	F496-G523 VanDerWaalsContact CE1-O 3.24Å; F496-G523 WeakPolarHBondContact CE1-O 3.39Å; I521-G523 PolarHBondContact O-N 3.14Å; G523-T525 PolarHBondContact O-N 2.96Å
524	V	84.1	Confident	82	Confident	17 Å²	17	62.7 Å²	62.7	10%	0.103	35%	0.348	C	S	.	.			trans	-69	125.8	176.2	-172.1	0	0	0	0	109.6	I404 W406 P407 V516 I521 H522	I404-V524 HydrophobicContact CG2-CG1 4Å; W406-V524 HydrophobicContact CE3-CG1 4.08Å; W406-V524 HydrophobicContact CE3-CG2 4.49Å; W406-V524 HydrophobicContact CZ3-CG1 4.17Å; W406-V524 HydrophobicContact CZ3-CG2 4.39Å; P407-V524 HydrophobicContact CG-CG2 3.8Å; V516-V524 HydrophobicContact CG1-CB 4.06Å; V516-V524 HydrophobicContact CG1-CG1 3.71Å; V516-V524 WeakPolarHBondContact CG1-O 3.44Å; I521-V524 HydrophobicContact CB-CG2 3.74Å; I521-V524 HydrophobicContact CG2-CG2 3.34Å; I521-V524 PolarHBondContact O-N 3.26Å; H522-V524 VanDerWaalsContact C-N 3.33Å; H522-V524 PolarHBondContact O-N 3.26Å
525	T	83.7	Confident	81.9	Confident	65 Å²	65	61.9 Å²	61.9	40%	0.399	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.9	173.2	56.3	0	0	0	0	109.9	I404 Y405 G523	I404-T525 WeakPolarHBondContact CA-O 3.4Å; Y405-T525 WeakPolarHBondContact CD2-OG1 3.34Å; Y405-T525 PolarHBondContact N-O 3.36Å; G523-T525 PolarHBondContact O-N 2.96Å
526	A	89.7	Confident	81.8	Confident	13 Å²	13	59.4 Å²	59.4	11%	0.107	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.6	175.7	0	0	0	0	0	110.1	V402 Q403 I404 V513 V516	V402-A526 HydrophobicContact CG1-CB 4.1Å; Q403-A526 CarbonylContact O-C 3.59Å; Q403-A526 VanDerWaalsContact O-CA 3.29Å; Q403-A526 WeakPolarHBondContact O-CA 3.41Å; I404-A526 HydrophobicContact CG1-CB 4.1Å; V513-A526 HydrophobicContact CG2-CB 4.15Å; V516-A526 HydrophobicContact CB-CB 3.86Å; V516-A526 HydrophobicContact CG1-CB 3.83Å; V516-A526 HydrophobicContact CG2-CB 3.88Å
527	R	88	Confident	81.9	Confident	73 Å²	73	59 Å²	59	28%	0.275	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.8	174.5	68.4	177.6	-172.1	164.7	6.9	111.2	V402 Q403 V474 N475	V402-R527 CarbonylContact C-O 3.53Å; V402-R527 WeakPolarHBondContact CA-O 3.17Å; Q403-R527 HydrophobicContact CB-CG 4.01Å; Q403-R527 PolarHBondContact N-O 3.43Å; Q403-R527 PolarHBondContact O-N 2.88Å; V474-R527 PolarHBondContact O-NH2 3.33Å; V474-R527 VanDerWaalsContact O-NH2 3.16Å; N475-R527 PolarHBondContact OD1-NH2 2.93Å
528	I	91.1	Very high	82.1	Confident	29 Å²	29	53.9 Å²	53.9	15%	0.149	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136	170.1	-54.6	-173.6	0	0	0	107.8	N399 I401 V402 A509 L510 V513 E530	N399-I528 HydrophobicContact CB-CG2 4.31Å; I401-I528 WeakPolarHBondContact O-CA 3.5Å; V402-I528 HydrophobicContact CG2-CG1 4.43Å; A509-I528 HydrophobicContact CB-CD1 4.1Å; L510-I528 HydrophobicContact CD2-CD1 3.59Å; L510-I528 HydrophobicContact CG-CD1 3.94Å; V513-I528 HydrophobicContact CG2-CD1 4.38Å; V513-I528 HydrophobicContact CG2-CG1 3.7Å; I528-E530 HydrophobicContact CG2-CG 4.37Å
529	L	89	Confident	82.2	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	29%	0.287	C	S	.	.			trans	-80.5	129	171.3	-59.6	-170.2	0	0	0	109.2	I401 Q403 V474 F500 E534 Y537	I401-L529 HydrophobicContact CB-CB 4.39Å; I401-L529 HydrophobicContact CB-CD1 4.39Å; I401-L529 HydrophobicContact CB-CG 4.47Å; I401-L529 HydrophobicContact CG2-CB 4.44Å; I401-L529 HydrophobicContact CG2-CD1 3.64Å; I401-L529 HydrophobicContact CG2-CG 4Å; I401-L529 PolarHBondContact O-N 3.26Å; Q403-L529 HydrophobicContact CB-CD2 4.05Å; V474-L529 HydrophobicContact CG1-CD1 3.98Å; V474-L529 HydrophobicContact CG1-CD2 3.51Å; V474-L529 HydrophobicContact CG1-CG 4.41Å; V474-L529 HydrophobicContact CG2-CD1 4.46Å; F500-L529 HydrophobicContact CD1-CD1 3.97Å; F500-L529 HydrophobicContact CE1-CD1 3.76Å; F500-L529 HydrophobicContact CE1-CD2 4.41Å; F500-L529 HydrophobicContact CE1-CG 4.46Å; L529-E534 HydrophobicContact CB-CB 4.16Å; L529-Y537 HydrophobicContact CD1-CG 4.29Å
530	E	85.5	Confident	82.6	Confident	122 Å²	122	49.7 Å²	49.7	57%	0.57	29%	0.286	S	S	*	.			trans	-128	149.2	179.6	-61.7	-177.6	178.6	0	0	110.4	I528 S533	I528-E530 HydrophobicContact CG2-CG 4.37Å; E530-S533 PolarHBondContact O-N 3.35Å
531	G	83.9	Confident	83.4	Confident	46 Å²	46	44.2 Å²	44.2	47%	0.474	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-121.2	173.3	0	0	0	0	0	113.8	S533 E534 Q535	G531-S533 VanDerWaalsContact C-N 3.29Å; G531-S533 PolarHBondContact O-N 2.88Å; G531-E534 PolarHBondContact O-N 3.32Å; G531-Q535 PolarHBondContact O-N 2.97Å; G531-Q535 VanDerWaalsContact O-N 3.07Å
532	P	83.6	Confident	83.9	Confident	72 Å²	72	43.1 Å²	43.1	47%	0.468	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-30.1	-174.8	26.3	-34.1	0	0	0	113.5	F477 Q535 A536	F477-P532 HydrophobicContact CB-CB 4.21Å; F477-P532 HydrophobicContact CB-CG 3.75Å; F477-P532 HydrophobicContact CD1-CB 3.86Å; F477-P532 HydrophobicContact CD1-CG 3.94Å; F477-P532 HydrophobicContact CD2-CB 4.01Å; F477-P532 HydrophobicContact CD2-CG 4.48Å; F477-P532 HydrophobicContact CE1-CB 4.22Å; F477-P532 HydrophobicContact CE2-CB 4.38Å; F477-P532 HydrophobicContact CG-CB 3.75Å; F477-P532 HydrophobicContact CG-CG 3.81Å; F477-P532 HydrophobicContact CZ-CB 4.48Å; P532-Q535 PolarHBondContact O-N 3.06Å; P532-A536 PolarHBondContact O-N 2.95Å
533	S	86.2	Confident	84.5	Confident	9 Å²	9	43 Å²	43	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-41.6	175.5	-60.4	0	0	0	0	111.7	V474 E530 G531 A536 Y537	V474-S533 PolarHBondContact O-OG 3.49Å; E530-S533 PolarHBondContact O-N 3.35Å; G531-S533 VanDerWaalsContact C-N 3.29Å; G531-S533 PolarHBondContact O-N 2.88Å; S533-A536 PolarHBondContact O-N 2.9Å; S533-Y537 PolarHBondContact O-N 2.87Å
534	E	88.9	Confident	84.6	Confident	18 Å²	18	44.1 Å²	44.1	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-41	176.1	-170.7	175.4	-148.9	0	0	111	F396 P398 N399 I401 L529 G531 A536 Y537 C538	F396-E534 HydrophobicContact CZ-CG 4.1Å; F396-E534 WeakPolarHBondContact CZ-OE1 3.33Å; P398-E534 WeakPolarHBondContact CA-OE1 3.41Å; N399-E534 PolarHBondContact N-OE1 2.93Å; N399-E534 PolarHBondContact N-OE2 3.24Å; I401-E534 HydrophobicContact CD1-CG 3.78Å; L529-E534 HydrophobicContact CB-CB 4.16Å; G531-E534 PolarHBondContact O-N 3.32Å; E534-A536 PolarHBondContact O-N 3.5Å; E534-Y537 PolarHBondContact O-N 3.24Å; E534-C538 WeakPolarHBondContact O-CB 3.39Å; E534-C538 PolarHBondContact O-N 3.44Å; E534-C538 PolarHBondContact O-SG 3.04Å
535	Q	85	Confident	84	Confident	102 Å²	102	47.5 Å²	47.5	48%	0.477	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.7	-171.2	62	39.7	0	0	111.9	G531 P532 Y537 C538 D539	G531-Q535 PolarHBondContact O-N 2.97Å; G531-Q535 VanDerWaalsContact O-N 3.07Å; P532-Q535 PolarHBondContact O-N 3.06Å; Q535-Y537 VanDerWaalsContact C-N 3.31Å; Q535-Y537 PolarHBondContact O-N 2.95Å; Q535-C538 WeakPolarHBondContact O-CB 3.47Å; Q535-C538 PolarHBondContact O-N 3.3Å; Q535-D539 PolarHBondContact NE2-OD1 3.24Å; Q535-D539 PolarHBondContact O-N 3.1Å
536	A	85.3	Confident	83.3	Confident	19 Å²	19	48.3 Å²	48.3	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-40.4	177.4	0	0	0	0	0	112.3	V474 P532 S533 E534 S540	V474-A536 HydrophobicContact CG2-CB 4.18Å; P532-A536 PolarHBondContact O-N 2.95Å; S533-A536 PolarHBondContact O-N 2.9Å; E534-A536 PolarHBondContact O-N 3.5Å; A536-S540 PolarHBondContact O-N 2.91Å; A536-S540 VanDerWaalsContact O-N 3.14Å
537	Y	88.2	Confident	82.5	Confident	1 Å²	1	52 Å²	52	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-45.9	174.3	179.7	-97.6	0	0	0	112.3	I401 L470 F500 L529 S533 E534 Q535 D539 S540 I541	I401-Y537 HydrophobicContact CD1-CD1 3.31Å; I401-Y537 HydrophobicContact CD1-CE1 3.66Å; I401-Y537 HydrophobicContact CD1-CG 4.31Å; I401-Y537 HydrophobicContact CG1-CD1 4.08Å; I401-Y537 HydrophobicContact CG1-CE1 3.97Å; I401-Y537 HydrophobicContact CG2-CD1 3.99Å; I401-Y537 HydrophobicContact CG2-CE1 3.92Å; I401-Y537 HydrophobicContact CG2-CG 4.33Å; L470-Y537 HydrophobicContact CD1-CD2 4.22Å; L470-Y537 HydrophobicContact CD2-CD2 3.99Å; L470-Y537 HydrophobicContact CD2-CE2 4.34Å; F500-Y537 HydrophobicContact CB-CD2 4.33Å; F500-Y537 HydrophobicContact CB-CE2 3.54Å; F500-Y537 HydrophobicContact CD1-CD2 4.11Å; F500-Y537 HydrophobicContact CD1-CE2 4.16Å; F500-Y537 AromaticContact CD2-CD2 3.91Å; F500-Y537 HydrophobicContact CD2-CD2 3.91Å; F500-Y537 AromaticContact CD2-CE2 3.59Å; F500-Y537 HydrophobicContact CD2-CE2 3.59Å; F500-Y537 HydrophobicContact CE1-CD2 4.4Å; F500-Y537 HydrophobicContact CE2-CD2 4.2Å; F500-Y537 HydrophobicContact CE2-CE2 4.31Å; F500-Y537 AromaticContact CG-CD2 3.86Å; F500-Y537 HydrophobicContact CG-CD2 3.86Å; F500-Y537 AromaticContact CG-CE2 3.49Å; F500-Y537 HydrophobicContact CG-CE2 3.49Å; F500-Y537 VanDerWaalsContact CG-CE2 3.49Å; F500-Y537 HydrophobicContact CZ-CD2 4.44Å; L529-Y537 HydrophobicContact CD1-CG 4.29Å; S533-Y537 PolarHBondContact O-N 2.87Å; E534-Y537 PolarHBondContact O-N 3.24Å; Q535-Y537 VanDerWaalsContact C-N 3.31Å; Q535-Y537 PolarHBondContact O-N 2.95Å; Y537-D539 PolarHBondContact O-N 3.4Å; Y537-S540 WeakPolarHBondContact O-CB 3.27Å; Y537-S540 PolarHBondContact O-N 3.06Å; Y537-I541 HydrophobicContact CD1-CD1 3.78Å; Y537-I541 HydrophobicContact CD1-CG1 4.45Å; Y537-I541 HydrophobicContact CE1-CD1 3.16Å; Y537-I541 HydrophobicContact CE1-CG1 4.1Å; Y537-I541 HydrophobicContact CE2-CD1 4.4Å; Y537-I541 PolarHBondContact O-N 3.06Å
538	C	85.2	Confident	81.5	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.02	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-47.4	176.6	-76.4	0	0	0	0	112.4	L392 F396 E534 Q535 S540 I541 I542	L392-C538 HydrophobicContact CD1-CB 4.31Å; L392-C538 HydrophobicContact CD2-CB 3.61Å; F396-C538 WeakPolarHBondContact CE2-SG 3.41Å; F396-C538 WeakPolarHBondContact CZ-SG 3.34Å; E534-C538 WeakPolarHBondContact O-CB 3.39Å; E534-C538 PolarHBondContact O-N 3.44Å; E534-C538 PolarHBondContact O-SG 3.04Å; Q535-C538 WeakPolarHBondContact O-CB 3.47Å; Q535-C538 PolarHBondContact O-N 3.3Å; C538-S540 VanDerWaalsContact C-N 3.31Å; C538-S540 PolarHBondContact O-N 3.48Å; C538-I541 PolarHBondContact O-N 3.47Å; C538-I542 WeakPolarHBondContact O-CG1 3.32Å; C538-I542 PolarHBondContact O-N 3.18Å
539	D	83.2	Confident	79.9	Confident	65 Å²	65	58.5 Å²	58.5	35%	0.348	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-38	178.3	-72.5	-13.6	0	0	0	112	Q535 Y537 I542 K543	Q535-D539 PolarHBondContact NE2-OD1 3.24Å; Q535-D539 PolarHBondContact O-N 3.1Å; Y537-D539 PolarHBondContact O-N 3.4Å; D539-I542 PolarHBondContact O-N 2.63Å; D539-K543 WeakPolarHBondContact O-CB 3.46Å; D539-K543 VanDerWaalsContact O-CG 3.28Å; D539-K543 WeakPolarHBondContact O-CG 3.47Å; D539-K543 PolarHBondContact O-N 3.14Å
540	S	82.8	Confident	78.8	Confident	30 Å²	30	62.4 Å²	62.4	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-41.9	175.8	-173.8	0	0	0	0	112.3	A536 Y537 C538 I542 K543 S544	A536-S540 PolarHBondContact O-N 2.91Å; A536-S540 VanDerWaalsContact O-N 3.14Å; Y537-S540 WeakPolarHBondContact O-CB 3.27Å; Y537-S540 PolarHBondContact O-N 3.06Å; C538-S540 VanDerWaalsContact C-N 3.31Å; C538-S540 PolarHBondContact O-N 3.48Å; S540-I542 VanDerWaalsContact C-N 3.33Å; S540-I542 PolarHBondContact O-N 3.27Å; S540-K543 PolarHBondContact O-N 3.23Å; S540-S544 WeakPolarHBondContact O-CB 3.28Å; S540-S544 PolarHBondContact O-N 3.02Å
541	I	81	Confident	77.7	Confident	25 Å²	25	64.2 Å²	64.2	13%	0.128	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-44	174.1	-72.3	178.7	0	0	0	111	Y537 C538 S544 K545	Y537-I541 HydrophobicContact CD1-CD1 3.78Å; Y537-I541 HydrophobicContact CD1-CG1 4.45Å; Y537-I541 HydrophobicContact CE1-CD1 3.16Å; Y537-I541 HydrophobicContact CE1-CG1 4.1Å; Y537-I541 HydrophobicContact CE2-CD1 4.4Å; Y537-I541 PolarHBondContact O-N 3.06Å; C538-I541 PolarHBondContact O-N 3.47Å; I541-S544 PolarHBondContact O-N 3.07Å; I541-S544 PolarHBondContact O-OG 3.25Å; I541-K545 HydrophobicContact CG2-CD 4.22Å; I541-K545 HydrophobicContact CG2-CG 4.41Å; I541-K545 WeakPolarHBondContact O-CB 3.44Å; I541-K545 WeakPolarHBondContact O-CG 3.18Å; I541-K545 PolarHBondContact O-N 3.45Å
542	I	78.7	Confident	76.7	Confident	19 Å²	19	67.5 Å²	67.5	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-49.8	178.6	-69.9	164.6	0	0	0	109.6	K390 L392 C538 D539 S540 S544 K545 V546	K390-I542 HydrophobicContact CB-CD1 4.26Å; K390-I542 HydrophobicContact CB-CG2 3.61Å; K390-I542 HydrophobicContact CD-CG2 4.01Å; K390-I542 HydrophobicContact CG-CG2 3.91Å; K390-I542 WeakPolarHBondContact O-CD1 3.42Å; L392-I542 HydrophobicContact CD2-CD1 4.1Å; L392-I542 HydrophobicContact CD2-CG1 4.3Å; L392-I542 HydrophobicContact CG-CD1 4.16Å; C538-I542 WeakPolarHBondContact O-CG1 3.32Å; C538-I542 PolarHBondContact O-N 3.18Å; D539-I542 PolarHBondContact O-N 2.63Å; S540-I542 VanDerWaalsContact C-N 3.33Å; S540-I542 PolarHBondContact O-N 3.27Å; I542-S544 VanDerWaalsContact C-N 3.31Å; I542-S544 PolarHBondContact O-N 3.19Å; I542-K545 PolarHBondContact O-N 3.07Å; I542-V546 WeakPolarHBondContact O-CG2 3.31Å; I542-V546 PolarHBondContact O-N 3.24Å; I542-V546 VanDerWaalsContact O-N 3.08Å
543	K	77.2	Confident	76.1	Confident	141 Å²	141	70.5 Å²	70.5	61%	0.613	34%	0.337	S	S	*	.	H	α-helix	trans	-57.4	-43.3	176.8	-72.6	171.7	-175.6	174.8	0	111.3	D539 S540 V546 N547	D539-K543 WeakPolarHBondContact O-CB 3.46Å; D539-K543 VanDerWaalsContact O-CG 3.28Å; D539-K543 WeakPolarHBondContact O-CG 3.47Å; D539-K543 PolarHBondContact O-N 3.14Å; S540-K543 PolarHBondContact O-N 3.23Å; K543-V546 PolarHBondContact O-N 3.01Å; K543-N547 VanDerWaalsContact O-CG 3.29Å; K543-N547 PolarHBondContact O-N 2.81Å
544	S	75.4	Confident	75.3	Confident	56 Å²	56	72.6 Å²	72.6	39%	0.392	35%	0.35	S	S	.	.	H	α-helix	trans	-68.3	-37.5	-179.6	84.3	0	0	0	0	112.8	S540 I541 I542 N547 A548	S540-S544 WeakPolarHBondContact O-CB 3.28Å; S540-S544 PolarHBondContact O-N 3.02Å; I541-S544 PolarHBondContact O-N 3.07Å; I541-S544 PolarHBondContact O-OG 3.25Å; I542-S544 VanDerWaalsContact C-N 3.31Å; I542-S544 PolarHBondContact O-N 3.19Å; S544-N547 CarbonylContact O-C 3.56Å; S544-N547 PolarHBondContact O-N 2.88Å; S544-A548 WeakPolarHBondContact O-CB 3.4Å; S544-A548 PolarHBondContact O-N 3.22Å
545	K	72.7	Confident	74.3	Confident	89 Å²	89	74.5 Å²	74.5	39%	0.387	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-41.1	174.3	-79.3	-177.2	176.7	-176.9	0	112.1	I541 I542 N547 A548 R549	I541-K545 HydrophobicContact CG2-CD 4.22Å; I541-K545 HydrophobicContact CG2-CG 4.41Å; I541-K545 WeakPolarHBondContact O-CB 3.44Å; I541-K545 WeakPolarHBondContact O-CG 3.18Å; I541-K545 PolarHBondContact O-N 3.45Å; I542-K545 PolarHBondContact O-N 3.07Å; K545-N547 VanDerWaalsContact C-N 3.35Å; K545-A548 PolarHBondContact O-N 2.85Å; K545-R549 WeakPolarHBondContact O-CG 3.28Å; K545-R549 PolarHBondContact O-N 2.88Å
546	V	68.4	Low	73.9	Confident	81 Å²	81	73.8 Å²	73.8	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-46.5	173.9	174.5	0	0	0	0	109.9	I542 K543 A548 R549 E550	I542-V546 WeakPolarHBondContact O-CG2 3.31Å; I542-V546 PolarHBondContact O-N 3.24Å; I542-V546 VanDerWaalsContact O-N 3.08Å; K543-V546 PolarHBondContact O-N 3.01Å; V546-A548 VanDerWaalsContact C-N 3.35Å; V546-A548 PolarHBondContact O-N 3.02Å; V546-R549 WeakPolarHBondContact O-CB 3.18Å; V546-R549 PolarHBondContact O-N 3.35Å; V546-E550 PolarHBondContact O-N 2.84Å
547	N	72.5	Confident	73.4	Confident	91 Å²	91	76.2 Å²	76.2	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-64.8	-35.5	176.8	-69	-12.5	0	0	0	112.9	K543 S544 K545 E550 R551	K543-N547 VanDerWaalsContact O-CG 3.29Å; K543-N547 PolarHBondContact O-N 2.81Å; S544-N547 CarbonylContact O-C 3.56Å; S544-N547 PolarHBondContact O-N 2.88Å; K545-N547 VanDerWaalsContact C-N 3.35Å; N547-E550 PolarHBondContact O-N 2.99Å; N547-R551 WeakPolarHBondContact O-CB 3.46Å; N547-R551 WeakPolarHBondContact O-CG 3.49Å; N547-R551 PolarHBondContact O-N 2.63Å
548	A	67	Low	73	Confident	43 Å²	43	80.3 Å²	80.3	36%	0.355	39%	0.394	S	S	.	.	H	α-helix	trans	-66.2	-40.8	175.6	0	0	0	0	0	111.6	S544 K545 V546 E550 R551 H552	S544-A548 WeakPolarHBondContact O-CB 3.4Å; S544-A548 PolarHBondContact O-N 3.22Å; K545-A548 PolarHBondContact O-N 2.85Å; V546-A548 VanDerWaalsContact C-N 3.35Å; V546-A548 PolarHBondContact O-N 3.02Å; A548-E550 VanDerWaalsContact C-N 3.34Å; A548-R551 PolarHBondContact O-N 2.89Å; A548-H552 VanDerWaalsContact O-CB 3.32Å; A548-H552 WeakPolarHBondContact O-CB 3.45Å; A548-H552 PolarHBondContact O-N 3.13Å
549	R	58.9	Low	72.4	Confident	196 Å²	196	88.7 Å²	88.7	74%	0.74	43%	0.425	S	S	*	.	H	α-helix	trans	-60.6	-43.9	171.5	-73	177	178.6	178.7	-0.1	110.9	K545 V546 H552 R553	K545-R549 WeakPolarHBondContact O-CG 3.28Å; K545-R549 PolarHBondContact O-N 2.88Å; V546-R549 WeakPolarHBondContact O-CB 3.18Å; V546-R549 PolarHBondContact O-N 3.35Å; R549-H552 PolarHBondContact O-N 2.98Å; R549-R553 WeakPolarHBondContact O-CB 3.41Å; R549-R553 PolarHBondContact O-N 3.02Å
550	E	64.4	Low	72.2	Confident	82 Å²	82	93.4 Å²	93.4	38%	0.383	44%	0.438	S	S	.	.	H	α-helix	trans	-67.8	-40.2	178.2	-170.9	57.2	-159.2	0	0	112.9	V546 N547 A548 H552 R553 T554	V546-E550 PolarHBondContact O-N 2.84Å; N547-E550 PolarHBondContact O-N 2.99Å; A548-E550 VanDerWaalsContact C-N 3.34Å; E550-H552 VanDerWaalsContact C-N 3.31Å; E550-H552 PolarHBondContact O-N 3.36Å; E550-R553 WeakPolarHBondContact O-CB 3.39Å; E550-R553 PolarHBondContact O-N 3.1Å; E550-R553 IonicContact OE1-CZ 3.08Å; E550-R553 IonicContact OE1-NE 2.69Å; E550-R553 PolarHBondContact OE1-NE 2.86Å; E550-R553 IonicContact OE1-NH2 3.86Å; E550-R553 PolarHBondContact OE1-NH2 3.15Å; E550-R553 IonicContact OE2-CZ 2.71Å; E550-R553 IonicContact OE2-NE 3.12Å; E550-R553 PolarHBondContact OE2-NE 3Å; E550-R553 IonicContact OE2-NH2 2.78Å; E550-T554 WeakPolarHBondContact O-CG2 3.47Å; E550-T554 PolarHBondContact O-N 3.36Å; E550-T554 PolarHBondContact O-OG1 3.39Å
551	R	64.1	Low	71.9	Confident	161 Å²	161	97.9 Å²	97.9	61%	0.608	46%	0.455	S	S	*	.	H	α-helix	trans	-61.5	-38.6	171.4	-76.1	-170.8	-61.7	-128.9	1.5	112.3	N547 A548 T554 S555	N547-R551 WeakPolarHBondContact O-CB 3.46Å; N547-R551 WeakPolarHBondContact O-CG 3.49Å; N547-R551 PolarHBondContact O-N 2.63Å; A548-R551 PolarHBondContact O-N 2.89Å; R551-T554 VanDerWaalsContact CA-OG1 3.25Å; R551-T554 WeakPolarHBondContact CA-OG1 3.28Å; R551-T554 PolarHBondContact O-OG1 2.96Å; R551-S555 WeakPolarHBondContact O-CB 3.49Å; R551-S555 PolarHBondContact O-N 2.67Å
552	H	61.9	Low	71.5	Confident	114 Å²	114	103.9 Å²	103.9	53%	0.528	48%	0.481	S	S	.	.	H	α-helix	trans	-68.9	-41.9	175.8	-172.2	-110.2	0	0	0	111.1	A548 R549 E550 S555 Q556	A548-H552 VanDerWaalsContact O-CB 3.32Å; A548-H552 WeakPolarHBondContact O-CB 3.45Å; A548-H552 PolarHBondContact O-N 3.13Å; R549-H552 PolarHBondContact O-N 2.98Å; E550-H552 VanDerWaalsContact C-N 3.31Å; E550-H552 PolarHBondContact O-N 3.36Å; H552-S555 PolarHBondContact O-N 3.47Å; H552-Q556 PolarHBondContact ND1-NE2 3Å; H552-Q556 PolarHBondContact CE1-NE2 3.3Å; H552-Q556 PolarHBondContact O-N 3.21Å; H552-Q556 WeakPolarHBondContact O-CG 3.48Å; H552-Q556 VanDerWaalsContact O-CG 3.29Å; H552-Q556 WeakPolarHBondContact O-CB 3.38Å; H552-Q556 PolarHBondContact NE2-NE2 3.48Å
553	R	71.4	Confident	71	Confident	135 Å²	135	109.3 Å²	109.3	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-58.5	-50.3	174.7	-167.6	-176.4	83.2	102.9	2.9	111.5	R549 E550 Q556 L557	R549-R553 WeakPolarHBondContact O-CB 3.41Å; R549-R553 PolarHBondContact O-N 3.02Å; E550-R553 WeakPolarHBondContact O-CB 3.39Å; E550-R553 PolarHBondContact O-N 3.1Å; E550-R553 IonicContact OE1-CZ 3.08Å; E550-R553 IonicContact OE1-NE 2.69Å; E550-R553 PolarHBondContact OE1-NE 2.86Å; E550-R553 IonicContact OE1-NH2 3.86Å; E550-R553 PolarHBondContact OE1-NH2 3.15Å; E550-R553 IonicContact OE2-CZ 2.71Å; E550-R553 IonicContact OE2-NE 3.12Å; E550-R553 PolarHBondContact OE2-NE 3Å; E550-R553 IonicContact OE2-NH2 2.78Å; R553-Q556 PolarHBondContact O-N 3.35Å; R553-L557 WeakPolarHBondContact O-CG 3.33Å; R553-L557 PolarHBondContact O-N 3.03Å
554	T	68.3	Low	70.6	Confident	53 Å²	53	111.1 Å²	111.1	33%	0.325	51%	0.513	S	S	.	.	H	α-helix	trans	-65	-42	177.2	47.5	0	0	0	0	112.2	E550 R551 Q556 L557 N558	E550-T554 WeakPolarHBondContact O-CG2 3.47Å; E550-T554 PolarHBondContact O-N 3.36Å; E550-T554 PolarHBondContact O-OG1 3.39Å; R551-T554 VanDerWaalsContact CA-OG1 3.25Å; R551-T554 WeakPolarHBondContact CA-OG1 3.28Å; R551-T554 PolarHBondContact O-OG1 2.96Å; T554-Q556 VanDerWaalsContact C-N 3.35Å; T554-Q556 PolarHBondContact O-N 3.01Å; T554-L557 PolarHBondContact O-N 3.14Å; T554-N558 WeakPolarHBondContact O-CB 3.31Å; T554-N558 VanDerWaalsContact O-CG 3.23Å; T554-N558 PolarHBondContact O-N 3.09Å
555	S	69.1	Low	69.5	Low	58 Å²	58	112.7 Å²	112.7	41%	0.406	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-39.9	174.6	-178.2	0	0	0	0	112.7	R551 H552 N558 R559	R551-S555 WeakPolarHBondContact O-CB 3.49Å; R551-S555 PolarHBondContact O-N 2.67Å; H552-S555 PolarHBondContact O-N 3.47Å; S555-N558 PolarHBondContact O-N 3.03Å; S555-R559 WeakPolarHBondContact O-CB 3.44Å; S555-R559 PolarHBondContact O-N 3.33Å
556	Q	75.2	Confident	68.3	Low	88 Å²	88	112.3 Å²	112.3	41%	0.411	53%	0.533	S	S	.	.	H	α-helix	trans	-65.6	-43.3	173.7	-75	-172.6	2.5	0	0	112.2	H552 R553 T554 R559 R560	H552-Q556 PolarHBondContact ND1-NE2 3Å; H552-Q556 PolarHBondContact CE1-NE2 3.3Å; H552-Q556 PolarHBondContact O-N 3.21Å; H552-Q556 WeakPolarHBondContact O-CG 3.48Å; H552-Q556 VanDerWaalsContact O-CG 3.29Å; H552-Q556 WeakPolarHBondContact O-CB 3.38Å; H552-Q556 PolarHBondContact NE2-NE2 3.48Å; R553-Q556 PolarHBondContact O-N 3.35Å; T554-Q556 VanDerWaalsContact C-N 3.35Å; T554-Q556 PolarHBondContact O-N 3.01Å; Q556-R559 PolarHBondContact O-N 3.29Å; Q556-R560 PolarHBondContact O-N 3.37Å; Q556-R560 WeakPolarHBondContact O-CG 3.16Å
557	L	76.4	Confident	67	Low	69 Å²	69	114 Å²	114	36%	0.361	54%	0.539	S	S	.	.	H	α-helix	trans	-61	-46.2	174.1	-75.8	169.5	0	0	0	111.3	R553 T554 R559 R560 Q561	R553-L557 WeakPolarHBondContact O-CG 3.33Å; R553-L557 PolarHBondContact O-N 3.03Å; T554-L557 PolarHBondContact O-N 3.14Å; L557-R559 VanDerWaalsContact C-N 3.33Å; L557-R559 PolarHBondContact O-N 2.92Å; L557-R560 CarbonylContact O-C 3.59Å; L557-R560 WeakPolarHBondContact O-CB 3.17Å; L557-R560 PolarHBondContact O-N 3.44Å; L557-R560 VanDerWaalsContact O-N 3.13Å; L557-Q561 PolarHBondContact O-N 3.4Å; L557-Q561 WeakPolarHBondContact O-CG 3.41Å
558	N	79.3	Confident	65.3	Low	87 Å²	87	115.3 Å²	115.3	47%	0.465	55%	0.553	S	S	.	*	H	α-helix	trans	-63.1	-38.1	177	-72.4	-9.1	0	0	0	111.8	T554 S555 Q561 K562	T554-N558 WeakPolarHBondContact O-CB 3.31Å; T554-N558 VanDerWaalsContact O-CG 3.23Å; T554-N558 PolarHBondContact O-N 3.09Å; S555-N558 PolarHBondContact O-N 3.03Å; N558-Q561 PolarHBondContact O-N 2.89Å; N558-K562 WeakPolarHBondContact O-CB 3.37Å; N558-K562 VanDerWaalsContact O-CG 3.31Å; N558-K562 WeakPolarHBondContact O-CG 3.31Å; N558-K562 PolarHBondContact O-N 3.5Å
559	R	73.5	Confident	63.7	Low	179 Å²	179	121 Å²	121	68%	0.675	57%	0.571	S	S	*	*	H	α-helix	trans	-63.5	-43.1	172.2	-87.4	-178	167.8	177.3	-1.5	111.9	S555 Q556 L557 K562 Q563	S555-R559 WeakPolarHBondContact O-CB 3.44Å; S555-R559 PolarHBondContact O-N 3.33Å; Q556-R559 PolarHBondContact O-N 3.29Å; L557-R559 VanDerWaalsContact C-N 3.33Å; L557-R559 PolarHBondContact O-N 2.92Å; R559-K562 PolarHBondContact O-N 3.29Å; R559-Q563 WeakPolarHBondContact O-CB 3.32Å; R559-Q563 PolarHBondContact O-N 3.41Å; R559-Q563 VanDerWaalsContact O-CG 3.31Å; R559-Q563 WeakPolarHBondContact O-CG 3.25Å
560	R	78.2	Confident	62.5	Low	165 Å²	165	117.2 Å²	117.2	62%	0.623	57%	0.572	S	S	*	*	H	α-helix	trans	-64.4	-41.3	175.9	-72.2	173.4	176.2	-172	-0.2	111.4	Q556 L557 Q563 K564	Q556-R560 PolarHBondContact O-N 3.37Å; Q556-R560 WeakPolarHBondContact O-CG 3.16Å; L557-R560 CarbonylContact O-C 3.59Å; L557-R560 WeakPolarHBondContact O-CB 3.17Å; L557-R560 PolarHBondContact O-N 3.44Å; L557-R560 VanDerWaalsContact O-N 3.13Å; R560-Q563 PolarHBondContact O-N 3.49Å; R560-K564 WeakPolarHBondContact O-CB 3.5Å; R560-K564 PolarHBondContact O-N 2.97Å
561	Q	75.5	Confident	60.8	Low	124 Å²	124	120 Å²	120	58%	0.579	60%	0.595	S	S	*	*	H	α-helix	trans	-66.1	-44.9	175.5	-73	-178.1	8.3	0	0	111.7	L557 N558 Q563 K564 S565	L557-Q561 PolarHBondContact O-N 3.4Å; L557-Q561 WeakPolarHBondContact O-CG 3.41Å; N558-Q561 PolarHBondContact O-N 2.89Å; Q561-Q563 VanDerWaalsContact C-N 3.3Å; Q561-Q563 PolarHBondContact O-N 3.29Å; Q561-K564 CarbonylContact O-C 3.5Å; Q561-K564 WeakPolarHBondContact O-CA 3.41Å; Q561-K564 WeakPolarHBondContact O-CB 3.08Å; Q561-K564 PolarHBondContact O-N 3.24Å; Q561-S565 PolarHBondContact O-N 3.29Å; Q561-S565 PolarHBondContact O-OG 2.99Å
562	K	73.3	Confident	59.2	Low	151 Å²	151	117.5 Å²	117.5	66%	0.657	60%	0.603	S	S	*	*	H	α-helix	trans	-60.2	-38.8	173.9	-77.4	-176.3	179.9	-171.6	0	112.4	N558 R559 K564 S565 S566	N558-K562 WeakPolarHBondContact O-CB 3.37Å; N558-K562 VanDerWaalsContact O-CG 3.31Å; N558-K562 WeakPolarHBondContact O-CG 3.31Å; N558-K562 PolarHBondContact O-N 3.5Å; R559-K562 PolarHBondContact O-N 3.29Å; K562-K564 VanDerWaalsContact C-N 3.31Å; K562-S565 VanDerWaalsContact O-OG 3.12Å; K562-S565 PolarHBondContact O-OG 3.39Å; K562-S565 WeakPolarHBondContact CA-OG 3.43Å; K562-S565 PolarHBondContact O-N 3.33Å; K562-S566 VanDerWaalsContact O-CB 3.23Å; K562-S566 WeakPolarHBondContact O-CB 3.17Å; K562-S566 PolarHBondContact O-N 3.34Å; K562-S566 PolarHBondContact O-OG 2.82Å
563	Q	67.5	Low	57.4	Low	133 Å²	133	117.6 Å²	117.6	62%	0.621	62%	0.616	S	S	*	*	H	α-helix	trans	-67.3	-32.7	173	-77.3	177.5	-9.2	0	0	112.4	R559 R560 Q561 S566	R559-Q563 WeakPolarHBondContact O-CB 3.32Å; R559-Q563 PolarHBondContact O-N 3.41Å; R559-Q563 VanDerWaalsContact O-CG 3.31Å; R559-Q563 WeakPolarHBondContact O-CG 3.25Å; R560-Q563 PolarHBondContact O-N 3.49Å; Q561-Q563 VanDerWaalsContact C-N 3.3Å; Q561-Q563 PolarHBondContact O-N 3.29Å; Q563-S566 WeakPolarHBondContact CA-OG 3.49Å; Q563-S566 PolarHBondContact O-OG 3.44Å
564	K	68.8	Low	55.5	Low	178 Å²	178	116.8 Å²	116.8	77%	0.774	63%	0.631	S	S	*	*	H	α-helix	trans	-73.3	-34.8	176.2	-156	176.4	-176.3	-175.1	0	111.8	R560 Q561 K562	R560-K564 WeakPolarHBondContact O-CB 3.5Å; R560-K564 PolarHBondContact O-N 2.97Å; Q561-K564 CarbonylContact O-C 3.5Å; Q561-K564 WeakPolarHBondContact O-CA 3.41Å; Q561-K564 WeakPolarHBondContact O-CB 3.08Å; Q561-K564 PolarHBondContact O-N 3.24Å; K562-K564 VanDerWaalsContact C-N 3.31Å
565	S	53.7	Low	53.5	Low	90 Å²	90	122 Å²	122	63%	0.629	66%	0.657	S	S	*	*	H	α-helix	trans	-85.6	-20.5	177.2	67.5	0	0	0	0	113.9	Q561 K562 N567	Q561-S565 PolarHBondContact O-N 3.29Å; Q561-S565 PolarHBondContact O-OG 2.99Å; K562-S565 VanDerWaalsContact O-OG 3.12Å; K562-S565 PolarHBondContact O-OG 3.39Å; K562-S565 WeakPolarHBondContact CA-OG 3.43Å; K562-S565 PolarHBondContact O-N 3.33Å; S565-N567 PolarHBondContact O-N 3.01Å
566	S	46.8	Very low	51.5	Low	80 Å²	80	124.8 Å²	124.8	56%	0.559	68%	0.675	S	S	*	*	S	Bend	trans	-76.8	-0.8	174.7	67.3	0	0	0	0	113.6	K562 Q563 P568	K562-S566 VanDerWaalsContact O-CB 3.23Å; K562-S566 WeakPolarHBondContact O-CB 3.17Å; K562-S566 PolarHBondContact O-N 3.34Å; K562-S566 PolarHBondContact O-OG 2.82Å; Q563-S566 WeakPolarHBondContact CA-OG 3.49Å; Q563-S566 PolarHBondContact O-OG 3.44Å; S566-P568 WeakPolarHBondContact O-CD 3.39Å
567	N	40.7	Very low	49.2	Very low	116 Å²	116	128.4 Å²	128.4	62%	0.62	70%	0.696	S	S	*	*	S	Bend	trans	-85.9	106	159.5	-80.2	-5.5	0	0	0	107.1	S565 H569	S565-N567 PolarHBondContact O-N 3.01Å; N567-H569 PolarHBondContact O-N 3.24Å
568	P	36.4	Very low	46.7	Very low	119 Å²	119	132.6 Å²	132.6	77%	0.773	72%	0.717	S	S	*	*			trans	-74.4	99.4	-177	30.8	-30.3	0	0	0	108.3	S566	S566-P568 WeakPolarHBondContact O-CD 3.39Å
569	H	34.3	Very low	44.8	Very low	162 Å²	162	133.9 Å²	133.9	75%	0.75	73%	0.731	S	S	*	*			trans	-81.7	120.4	152.3	-83.3	-67.7	0	0	0	107.1	N567 T571	N567-H569 PolarHBondContact O-N 3.24Å; H569-T571 PolarHBondContact O-N 3.34Å
570	P	33.2	Very low	42.7	Very low	117 Å²	117	131.2 Å²	131.2	76%	0.76	74%	0.739	S	S	*	*			trans	-70.9	114.3	174.4	28.5	-30.2	0	0	0	108.3	S572	P570-S572 PolarHBondContact O-N 2.99Å
571	T	29.2	Very low	40.2	Very low	142 Å²	142	131 Å²	131	87%	0.871	75%	0.751	S	S	*	*			trans	-75.2	104.2	166.2	46.5	0	0	0	0	108.5	H569	H569-T571 PolarHBondContact O-N 3.34Å
572	S	29.7	Very low	38.1	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	76%	0.764	S	S	*	*			trans	-90.5	112.7	153.9	46.9	0	0	0	0	109	P570	P570-S572 PolarHBondContact O-N 2.99Å
573	S	25.4	Very low	35.9	Very low	116 Å²	116	133.1 Å²	133.1	81%	0.811	77%	0.768	S	S	*	*			trans	-15.5	124.2	153.9	40.8	0	0	0	0	116.9
574	S	31.1	Very low	34.2	Very low	118 Å²	118	133.6 Å²	133.6	83%	0.825	78%	0.775	S	S	*	*			trans	-157.7	133	131.8	39.3	0	0	0	0	110.4
575	N	25.5	Very low	32.4	Very low	161 Å²	161	133.1 Å²	133.1	86%	0.861	78%	0.775	S	S	*	*			trans	-57	141.9	177.5	-66.6	-39.5	0	0	0	112.1
576	C	27.8	Very low	31.4	Very low	117 Å²	117	137.5 Å²	137.5	79%	0.791	78%	0.783	S	S	*	*			trans	-175.6	109.2	133.8	-102.4	0	0	0	0	111.8
577	I	26.2	Very low	30.7	Very low	165 Å²	165	141.2 Å²	141.2	85%	0.846	79%	0.791	S	S	*	*			trans	48.6	114	133.8	-57	168.6	0	0	0	119
578	L	24.9	Very low	30.3	Very low	156 Å²	156	142.3 Å²	142.3	82%	0.817	80%	0.795	S	S	*	*			trans	-61.4	173.1	158.9	-82.3	134.5	0	0	0	113.5
579	P	39.9	Very low	30	Very low	115 Å²	115	143.1 Å²	143.1	75%	0.747	79%	0.792	S	S	*	*				-129	160.3	-68.9	33.5	-13.7	0	0	0	111.2
580	S	28.1	Very low	30.1	Very low	122 Å²	122	144.4 Å²	144.4	85%	0.853	80%	0.795	S	S	*	*			trans	-140.8	129.8	156.2	65.7	0	0	0	0	111.6
581	N	25.6	Very low	30.2	Very low	161 Å²	161	145.7 Å²	145.7	86%	0.861	80%	0.796	S	S	*	*			trans	-55.5	132.2	176.7	-71	-37.2	0	0	0	111.3
582	K	31.9	Very low	30.3	Very low	198 Å²	198	152 Å²	152	86%	0.861	82%	0.816	S	S	*	*			trans	-161.3	118.9	139.5	-106.7	166.9	-169.4	-173.4	0	110.2
583	T	27.9	Very low	30.4	Very low	121 Å²	121	154.2 Å²	154.2	74%	0.742	82%	0.819	S	S	*	*			trans	-60.5	119.3	168.1	44.2	0	0	0	0	110.1
584	D	30.8	Very low	30.6	Very low	143 Å²	143	156.2 Å²	156.2	77%	0.765	82%	0.819	S	S	*	*			trans	-130	99.5	163.3	-95.1	-18.7	0	0	0	109.7	K586	D584-K586 PolarHBondContact O-N 3.49Å
585	H	30.3	Very low	30.6	Very low	169 Å²	169	158.3 Å²	158.3	78%	0.782	82%	0.819	S	S	*	*			trans	-68.8	99.1	165.8	-72.2	-76	0	0	0	109.2
586	K	33.9	Very low	30.9	Very low	181 Å²	181	158.2 Å²	158.2	79%	0.787	82%	0.816	S	S	*	*			trans	-100.6	86.6	164.8	-71.9	-172.6	179.7	-179.6	0	110	D584 I588	D584-K586 PolarHBondContact O-N 3.49Å; K586-I588 PolarHBondContact O-N 3.33Å
587	H	31.7	Very low	31.1	Very low	159 Å²	159	160.8 Å²	160.8	74%	0.736	82%	0.818	S	S	*	*			trans	-68.4	115.9	157.2	-89	-73.4	0	0	0	108.3	I589	H587-I589 PolarHBondContact O-N 2.65Å
588	I	32.4	Very low	31.4	Very low	138 Å²	138	160.5 Å²	160.5	71%	0.708	82%	0.816	S	S	*	*			trans	-82.6	109.7	170.1	-64.3	170.2	0	0	0	106.6	K586 F590	K586-I588 PolarHBondContact O-N 3.33Å; I588-F590 HydrophobicContact CG2-CD2 4.32Å; I588-F590 HydrophobicContact CG2-CE2 4Å; I588-F590 HydrophobicContact CG2-CZ 4.37Å
589	I	30.8	Very low	31.9	Very low	136 Å²	136	160.8 Å²	160.8	70%	0.697	82%	0.816	S	S	*	*			trans	-89.3	129.1	168.7	-62.9	171.1	0	0	0	106.4	H587	H587-I589 PolarHBondContact O-N 2.65Å
590	F	34.9	Very low	31.3	Very low	189 Å²	189	164.3 Å²	164.3	83%	0.829	82%	0.821	S	S	*	*			trans	-93.2	110.7	169.8	-77.4	-88.9	0	0	0	106.9	I588	I588-F590 HydrophobicContact CG2-CD2 4.32Å; I588-F590 HydrophobicContact CG2-CE2 4Å; I588-F590 HydrophobicContact CG2-CZ 4.37Å
591	D	35.2	Very low	31.5	Very low	144 Å²	144	167.8 Å²	167.8	77%	0.77	82%	0.819	S	S	*	*			trans	-83.9	136.1	166.3	-72.1	-29.3	0	0	0	109.2
592	E	33	Very low	32.1	Very low	275 Å²	275	168.5 Å²	168.5	100%	1.285	82%	0.815	S	S	*	*			trans	15	0	168.4	-65.1	-179.3	161.1	0	0	119.9

Retrieved 592 of 592 residues in 1020.8 ms (Link to these results)

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