A0A3Q0KD80_SCHMA Loading...

2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial

Methyltransferase required for the conversion of 2-polyprenyl-6-methoxy-1,4-benzoquinol (DDMQH2) to 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2).

AlphaFold DB , UniProt , Accession A0A3Q0KD80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 269 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	37.4	Very low	61.3	Low	242 Å²	242	125.4 Å²	125.4	100%	1.192	69%	0.691	S	S	*	*				0	124.7	0	-72.1	175.2	-167.4	0	0	107.7
2	S	43.4	Very low	63.9	Low	108 Å²	108	119 Å²	119	76%	0.755	65%	0.652	S	S	*	*			trans	36.7	88.3	162.4	170.8	0	0	0	0	115.7	Q4	S2-Q4 VanDerWaalsContact C-N 3.32Å; S2-Q4 PolarHBondContact O-N 2.99Å
3	A	45.9	Very low	66.1	Low	98 Å²	98	111.9 Å²	111.9	81%	0.81	61%	0.611	S	S	*	*			trans	-52.5	108	151.2	0	0	0	0	0	106	K5	A3-K5 PolarHBondContact O-N 2.9Å
4	Q	45.5	Very low	68	Low	182 Å²	182	103.9 Å²	103.9	85%	0.85	57%	0.567	S	S	*	*			trans	-47.3	110.4	171.4	-109.4	167.4	-13.8	0	0	105.3	S2 S6	S2-Q4 VanDerWaalsContact C-N 3.32Å; S2-Q4 PolarHBondContact O-N 2.99Å; Q4-S6 PolarHBondContact O-N 3.21Å
5	K	45.9	Very low	69.6	Low	183 Å²	183	103.9 Å²	103.9	80%	0.796	56%	0.56	S	S	*	*			trans	-56	96.1	159.2	-77.2	178.6	176	179.9	0	103.3	A3 F7	A3-K5 PolarHBondContact O-N 2.9Å; K5-F7 PolarHBondContact O-N 3.23Å
6	S	51.6	Low	71.1	Confident	88 Å²	88	103.1 Å²	103.1	62%	0.615	55%	0.552	S	S	*	*			trans	-48.9	101.7	156.8	163.8	0	0	0	0	102.8	Q4 L8	Q4-S6 PolarHBondContact O-N 3.21Å; S6-L8 PolarHBondContact O-N 2.92Å
7	F	58	Low	72.5	Confident	190 Å²	190	103.2 Å²	103.2	83%	0.833	56%	0.557	S	S	*	*			trans	-61.4	97.1	164.3	-85.8	-93.6	0	0	0	102.4	K5 S9	K5-F7 PolarHBondContact O-N 3.23Å; F7-S9 VanDerWaalsContact C-N 3.35Å; F7-S9 PolarHBondContact O-N 3.41Å
8	L	71.6	Confident	73.7	Confident	95 Å²	95	98 Å²	98	50%	0.497	53%	0.529	S	S	.	.			trans	-54.1	107.7	176	-69.4	166.2	0	0	0	104.8	S6 T10	S6-L8 PolarHBondContact O-N 2.92Å; L8-T10 PolarHBondContact O-N 3.16Å
9	S	89.4	Confident	74.7	Confident	76 Å²	76	95.9 Å²	95.9	53%	0.531	52%	0.516	S	S	.	.			trans	-66.3	138.1	178.3	58.2	0	0	0	0	107.3	F7 T20	F7-S9 VanDerWaalsContact C-N 3.35Å; F7-S9 PolarHBondContact O-N 3.41Å; S9-T20 WeakPolarHBondContact O-CB 3.45Å; S9-T20 PolarHBondContact O-N 3.44Å; S9-T20 PolarHBondContact O-OG1 3.33Å; S9-T20 WeakPolarHBondContact OG-CB 3.32Å; S9-T20 PolarHBondContact OG-OG1 2.92Å
10	T	92.6	Very high	75.6	Confident	93 Å²	93	92.3 Å²	92.3	57%	0.571	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.8	179.7	58.4	0	0	0	0	110.2	L8 T17 V18	L8-T10 PolarHBondContact O-N 3.16Å; T10-T17 HydrophobicContact CG2-CG2 4.23Å; T10-V18 CarbonylContact C-O 3.41Å; T10-V18 VanDerWaalsContact CA-O 3.26Å; T10-V18 WeakPolarHBondContact CA-O 2.78Å; T10-V18 WeakPolarHBondContact CB-O 3.04Å
11	T	93.1	Very high	76.3	Confident	24 Å²	24	94.7 Å²	94.7	15%	0.147	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	-178.7	176.1	-170.3	0	0	0	0	109.6	T17 V18 K23 T162	T11-T17 WeakPolarHBondContact O-CA 3.46Å; T11-V18 HydrophobicContact CG2-CG2 3.87Å; T11-V18 PolarHBondContact N-O 3.23Å; T11-V18 PolarHBondContact O-N 3.22Å; T11-K23 HydrophobicContact CG2-CB 3.69Å; T11-K23 HydrophobicContact CG2-CD 3.56Å; T11-K23 HydrophobicContact CG2-CG 4.19Å; T11-T162 HydrophobicContact CG2-CG2 4.02Å
12	H	92.5	Very high	79	Confident	49 Å²	49	86 Å²	86	23%	0.227	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.7	176.8	65.8	64.2	0	0	0	112.4	E16 K23	H12-E16 CarbonylContact C-O 3.48Å; H12-E16 WeakPolarHBondContact CA-O 3.45Å; H12-K23 PolarHBondContact CE1-NZ 2.94Å; H12-K23 VanDerWaalsContact CE1-NZ 3.31Å; H12-K23 VanDerWaalsContact O-CD 3.22Å; H12-K23 WeakPolarHBondContact O-CD 3.22Å; H12-K23 WeakPolarHBondContact O-CE 3.33Å; H12-K23 PolarHBondContact O-NZ 3.2Å
13	F	93	Very high	81.4	Confident	27 Å²	27	80.9 Å²	80.9	12%	0.118	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	92.7	160.7	179.3	-98.1	0	0	0	107.2	F15 E16 V18 K26 V27 V30 Y222	F13-F15 PolarHBondContact O-N 2.57Å; F13-E16 PolarHBondContact N-O 3.3Å; F13-E16 WeakPolarHBondContact O-CB 3.48Å; F13-E16 PolarHBondContact O-N 2.97Å; F13-V18 HydrophobicContact CB-CG1 3.84Å; F13-V18 HydrophobicContact CB-CG2 3.84Å; F13-K26 HydrophobicContact CB-CD 4.41Å; F13-K26 HydrophobicContact CD1-CD 4.02Å; F13-K26 HydrophobicContact CD2-CB 3.72Å; F13-K26 HydrophobicContact CD2-CD 4.2Å; F13-K26 HydrophobicContact CE1-CB 4.49Å; F13-K26 HydrophobicContact CE1-CD 4.35Å; F13-K26 HydrophobicContact CE2-CB 3.51Å; F13-K26 HydrophobicContact CG-CB 4.31Å; F13-K26 HydrophobicContact CG-CD 3.94Å; F13-K26 HydrophobicContact CZ-CB 3.93Å; F13-V27 HydrophobicContact CD2-CG2 4.18Å; F13-V27 HydrophobicContact CE2-CG2 4.01Å; F13-V30 HydrophobicContact CE2-CG2 4.35Å; F13-V30 HydrophobicContact CZ-CG2 3.83Å; F13-Y222 AromaticContact CD1-CD2 3.98Å; F13-Y222 HydrophobicContact CD1-CD2 3.98Å; F13-Y222 HydrophobicContact CD1-CE2 4.39Å; F13-Y222 AromaticContact CD2-CD2 3.76Å; F13-Y222 HydrophobicContact CD2-CD2 3.76Å; F13-Y222 AromaticContact CD2-CE2 3.38Å; F13-Y222 HydrophobicContact CD2-CE2 3.38Å; F13-Y222 AromaticContact CE1-CD2 3.69Å; F13-Y222 HydrophobicContact CE1-CD2 3.69Å; F13-Y222 HydrophobicContact CE1-CE2 4.33Å; F13-Y222 HydrophobicContact CE1-CG 4.25Å; F13-Y222 AromaticContact CE2-CD2 3.43Å; F13-Y222 HydrophobicContact CE2-CD2 3.43Å; F13-Y222 VanDerWaalsContact CE2-CD2 3.43Å; F13-Y222 HydrophobicContact CE2-CE1 4.43Å; F13-Y222 AromaticContact CE2-CE2 3.3Å; F13-Y222 HydrophobicContact CE2-CE2 3.3Å; F13-Y222 HydrophobicContact CE2-CG 4.07Å; F13-Y222 AromaticContact CE2-CZ 3.85Å; F13-Y222 HydrophobicContact CG-CD2 4.01Å; F13-Y222 AromaticContact CG-CE2 3.94Å; F13-Y222 HydrophobicContact CG-CE2 3.94Å; F13-Y222 HydrophobicContact CZ-CD1 4.49Å; F13-Y222 AromaticContact CZ-CD2 3.4Å; F13-Y222 HydrophobicContact CZ-CD2 3.4Å; F13-Y222 AromaticContact CZ-CE2 3.82Å; F13-Y222 HydrophobicContact CZ-CE2 3.82Å; F13-Y222 AromaticContact CZ-CG 3.78Å; F13-Y222 HydrophobicContact CZ-CG 3.78Å
14	G	91.9	Very high	83.6	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-124.5	-163.2	0	0	0	0	0	110.7	E225 K229	G14-E225 WeakPolarHBondContact CA-OE2 3.17Å; G14-K229 WeakPolarHBondContact O-CE 3.19Å; G14-K229 VanDerWaalsContact O-CG 3.32Å; G14-K229 WeakPolarHBondContact O-CG 3.34Å
15	F	92.6	Very high	85.9	Confident	103 Å²	103	72.5 Å²	72.5	45%	0.452	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-8.4	175.5	-65.3	-17.1	0	0	0	114.2	F13 E225 R228 K229	F13-F15 PolarHBondContact O-N 2.57Å; F15-E225 HydrophobicContact CB-CG 4.44Å; F15-E225 HydrophobicContact CD1-CB 3.97Å; F15-E225 HydrophobicContact CD1-CG 4.1Å; F15-E225 HydrophobicContact CD2-CB 4.44Å; F15-E225 HydrophobicContact CD2-CG 3.67Å; F15-E225 WeakPolarHBondContact CD2-OE1 3.27Å; F15-E225 HydrophobicContact CE1-CB 4.19Å; F15-E225 HydrophobicContact CE1-CG 4.32Å; F15-E225 HydrophobicContact CE2-CG 3.9Å; F15-E225 HydrophobicContact CG-CB 4.14Å; F15-E225 HydrophobicContact CG-CG 3.81Å; F15-E225 HydrophobicContact CZ-CG 4.24Å; F15-E225 PolarHBondContact N-OE2 3.38Å; F15-R228 HydrophobicContact CE1-CB 4.06Å; F15-R228 HydrophobicContact CZ-CB 4.26Å; F15-K229 HydrophobicContact CD1-CG 4.31Å; F15-K229 HydrophobicContact CE1-CG 4.48Å
16	E	93.7	Very high	88.1	Confident	92 Å²	92	67 Å²	67	43%	0.43	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.9	174.3	-166.4	-171.3	166.5	0	0	110.4	H12 F13 V18 K26	H12-E16 CarbonylContact C-O 3.48Å; H12-E16 WeakPolarHBondContact CA-O 3.45Å; F13-E16 PolarHBondContact N-O 3.3Å; F13-E16 WeakPolarHBondContact O-CB 3.48Å; F13-E16 PolarHBondContact O-N 2.97Å; E16-V18 HydrophobicContact CB-CG1 4.35Å; E16-V18 HydrophobicContact CG-CG1 3.84Å; E16-K26 IonicContact OE1-NZ 2.78Å; E16-K26 PolarHBondContact OE1-NZ 2.84Å; E16-K26 IonicContact OE2-NZ 2.84Å; E16-K26 PolarHBondContact OE2-NZ 2.78Å
17	T	94	Very high	90.1	Very high	104 Å²	104	63 Å²	63	64%	0.638	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.3	165.9	-59.9	0	0	0	0	108.7	T10 T11	T10-T17 HydrophobicContact CG2-CG2 4.23Å; T11-T17 WeakPolarHBondContact O-CA 3.46Å
18	V	94.2	Very high	91.7	Very high	10 Å²	10	55.9 Å²	55.9	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.7	-177.6	-60.2	0	0	0	0	110.2	T10 T11 F13 E16 K23 K26	T10-V18 CarbonylContact C-O 3.41Å; T10-V18 VanDerWaalsContact CA-O 3.26Å; T10-V18 WeakPolarHBondContact CA-O 2.78Å; T10-V18 WeakPolarHBondContact CB-O 3.04Å; T11-V18 HydrophobicContact CG2-CG2 3.87Å; T11-V18 PolarHBondContact N-O 3.23Å; T11-V18 PolarHBondContact O-N 3.22Å; F13-V18 HydrophobicContact CB-CG1 3.84Å; F13-V18 HydrophobicContact CB-CG2 3.84Å; E16-V18 HydrophobicContact CB-CG1 4.35Å; E16-V18 HydrophobicContact CG-CG1 3.84Å; V18-K23 HydrophobicContact CG2-CB 4.14Å; V18-K26 HydrophobicContact CG1-CD 4.09Å
19	E	93.5	Very high	92.7	Very high	58 Å²	58	56.6 Å²	56.6	27%	0.271	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	139.9	169.5	-60.4	-171.3	-170.3	0	0	109.8	K21 D22 K23	E19-K21 HydrophobicContact CB-CG 4.1Å; E19-K21 PolarHBondContact O-N 2.88Å; E19-K21 VanDerWaalsContact O-N 3.15Å; E19-K21 WeakPolarHBondContact OE2-CE 3.34Å; E19-K21 IonicContact OE2-NZ 2.65Å; E19-K21 PolarHBondContact OE2-NZ 3.43Å; E19-D22 PolarHBondContact O-N 2.92Å; E19-K23 PolarHBondContact O-N 3.36Å
20	T	92	Very high	92.7	Very high	23 Å²	23	53.7 Å²	53.7	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-54.1	-37.4	-177.8	-64.5	0	0	0	0	112.4	S9 D22 T162	S9-T20 WeakPolarHBondContact O-CB 3.45Å; S9-T20 PolarHBondContact O-N 3.44Å; S9-T20 PolarHBondContact O-OG1 3.33Å; S9-T20 WeakPolarHBondContact OG-CB 3.32Å; S9-T20 PolarHBondContact OG-OG1 2.92Å; T20-D22 VanDerWaalsContact C-N 3.26Å; T20-D22 PolarHBondContact O-N 3.43Å; T20-T162 HydrophobicContact CG2-CG2 3.62Å
21	K	91.2	Very high	92.5	Very high	143 Å²	143	50.8 Å²	50.8	62%	0.622	26%	0.255	S	S	*	.	H	α-helix	trans	-66.9	-22.7	177.4	63.2	170.3	-162.4	-139.3	0	114	E19	E19-K21 HydrophobicContact CB-CG 4.1Å; E19-K21 PolarHBondContact O-N 2.88Å; E19-K21 VanDerWaalsContact O-N 3.15Å; E19-K21 WeakPolarHBondContact OE2-CE 3.34Å; E19-K21 IonicContact OE2-NZ 2.65Å; E19-K21 PolarHBondContact OE2-NZ 3.43Å
22	D	93	Very high	92.3	Very high	60 Å²	60	54.9 Å²	54.9	32%	0.321	27%	0.272	S	S	.	.	H	α-helix	trans	-94.2	-16.4	-174.4	-62.9	-23.7	0	0	0	112.6	E19 T20 Q24 S25 K26	E19-D22 PolarHBondContact O-N 2.92Å; T20-D22 VanDerWaalsContact C-N 3.26Å; T20-D22 PolarHBondContact O-N 3.43Å; D22-Q24 PolarHBondContact O-N 3.42Å; D22-S25 PolarHBondContact O-N 3.4Å; D22-S25 PolarHBondContact O-OG 3.28Å; D22-K26 WeakPolarHBondContact O-CG 3.44Å; D22-K26 PolarHBondContact O-N 2.9Å
23	K	93.6	Very high	92	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-46	-177.8	-179.1	174.4	175.1	178.1	0	111.7	T11 H12 V18 E19 S25 K26 V27 C161 T162	T11-K23 HydrophobicContact CG2-CB 3.69Å; T11-K23 HydrophobicContact CG2-CD 3.56Å; T11-K23 HydrophobicContact CG2-CG 4.19Å; H12-K23 PolarHBondContact CE1-NZ 2.94Å; H12-K23 VanDerWaalsContact CE1-NZ 3.31Å; H12-K23 VanDerWaalsContact O-CD 3.22Å; H12-K23 WeakPolarHBondContact O-CD 3.22Å; H12-K23 WeakPolarHBondContact O-CE 3.33Å; H12-K23 PolarHBondContact O-NZ 3.2Å; V18-K23 HydrophobicContact CG2-CB 4.14Å; E19-K23 PolarHBondContact O-N 3.36Å; K23-S25 PolarHBondContact O-N 2.83Å; K23-K26 PolarHBondContact O-N 3.01Å; K23-V27 HydrophobicContact CG-CG2 4.28Å; K23-V27 VanDerWaalsContact O-CG2 3.3Å; K23-V27 WeakPolarHBondContact O-CG2 3.43Å; K23-V27 PolarHBondContact O-N 3.05Å; K23-C161 WeakPolarHBondContact CE-O 3.41Å; K23-C161 PolarHBondContact NZ-O 3.28Å; K23-T162 HydrophobicContact CD-CG2 4.01Å
24	Q	93	Very high	91.7	Very high	35 Å²	35	56 Å²	56	16%	0.164	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-43.3	-177	-173.8	62.2	66	0	0	112.1	D22 V27 N28 I112	D22-Q24 PolarHBondContact O-N 3.42Å; Q24-V27 PolarHBondContact O-N 2.88Å; Q24-N28 PolarHBondContact NE2-OD1 3.37Å; Q24-N28 VanDerWaalsContact O-CG 3.22Å; Q24-N28 PolarHBondContact O-N 3.38Å; Q24-N28 PolarHBondContact O-OD1 3.42Å; Q24-I112 HydrophobicContact CG-CD1 3.99Å
25	S	93	Very high	91.4	Very high	69 Å²	69	56.4 Å²	56.4	48%	0.483	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-39.5	179.9	58.5	0	0	0	0	111.8	D22 K23 N28 H29	D22-S25 PolarHBondContact O-N 3.4Å; D22-S25 PolarHBondContact O-OG 3.28Å; K23-S25 PolarHBondContact O-N 2.83Å; S25-N28 PolarHBondContact O-N 3.36Å; S25-H29 PolarHBondContact O-N 3.16Å
26	K	93.2	Very high	91.1	Very high	66 Å²	66	60.6 Å²	60.6	29%	0.287	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-41.7	173.3	-71.6	-170.8	174.5	-139.1	0	112.3	F13 E16 V18 D22 K23 H29 V30	F13-K26 HydrophobicContact CB-CD 4.41Å; F13-K26 HydrophobicContact CD1-CD 4.02Å; F13-K26 HydrophobicContact CD2-CB 3.72Å; F13-K26 HydrophobicContact CD2-CD 4.2Å; F13-K26 HydrophobicContact CE1-CB 4.49Å; F13-K26 HydrophobicContact CE1-CD 4.35Å; F13-K26 HydrophobicContact CE2-CB 3.51Å; F13-K26 HydrophobicContact CG-CB 4.31Å; F13-K26 HydrophobicContact CG-CD 3.94Å; F13-K26 HydrophobicContact CZ-CB 3.93Å; E16-K26 IonicContact OE1-NZ 2.78Å; E16-K26 PolarHBondContact OE1-NZ 2.84Å; E16-K26 IonicContact OE2-NZ 2.84Å; E16-K26 PolarHBondContact OE2-NZ 2.78Å; V18-K26 HydrophobicContact CG1-CD 4.09Å; D22-K26 WeakPolarHBondContact O-CG 3.44Å; D22-K26 PolarHBondContact O-N 2.9Å; K23-K26 PolarHBondContact O-N 3.01Å; K26-H29 PolarHBondContact O-N 3.43Å; K26-V30 PolarHBondContact O-N 3.03Å; K26-V30 VanDerWaalsContact O-N 3.16Å
27	V	93	Very high	90.7	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-44.5	176	169.9	0	0	0	0	110.9	F13 K23 Q24 H29 V30 F31 N160 Y222	F13-V27 HydrophobicContact CD2-CG2 4.18Å; F13-V27 HydrophobicContact CE2-CG2 4.01Å; K23-V27 HydrophobicContact CG-CG2 4.28Å; K23-V27 VanDerWaalsContact O-CG2 3.3Å; K23-V27 WeakPolarHBondContact O-CG2 3.43Å; K23-V27 PolarHBondContact O-N 3.05Å; Q24-V27 PolarHBondContact O-N 2.88Å; V27-H29 VanDerWaalsContact C-N 3.31Å; V27-H29 PolarHBondContact O-N 3.05Å; V27-V30 WeakPolarHBondContact O-CB 3.25Å; V27-V30 PolarHBondContact O-N 3.31Å; V27-V30 VanDerWaalsContact O-N 3.14Å; V27-F31 HydrophobicContact CG1-CD2 3.71Å; V27-F31 HydrophobicContact CG1-CE2 3.72Å; V27-F31 WeakPolarHBondContact O-CD2 3.23Å; V27-F31 PolarHBondContact O-N 2.82Å; V27-N160 HydrophobicContact CG1-CB 3.84Å; V27-Y222 WeakPolarHBondContact CG2-OH 3.44Å
28	N	92.5	Very high	90.3	Very high	41 Å²	41	57.1 Å²	57.1	22%	0.219	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-45.3	177	-70.9	2.9	0	0	0	111.3	Q24 S25 V30 F31 E32	Q24-N28 PolarHBondContact NE2-OD1 3.37Å; Q24-N28 VanDerWaalsContact O-CG 3.22Å; Q24-N28 PolarHBondContact O-N 3.38Å; Q24-N28 PolarHBondContact O-OD1 3.42Å; S25-N28 PolarHBondContact O-N 3.36Å; N28-V30 VanDerWaalsContact C-N 3.33Å; N28-V30 PolarHBondContact O-N 3.22Å; N28-F31 PolarHBondContact O-N 3.14Å; N28-F31 VanDerWaalsContact O-N 3.12Å; N28-E32 WeakPolarHBondContact O-CG 3.5Å; N28-E32 PolarHBondContact O-N 3.16Å
29	H	91.1	Very high	89.9	Confident	111 Å²	111	58.5 Å²	58.5	51%	0.514	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-37.8	177.3	-176.9	-85.6	0	0	0	113	S25 K26 V27 N33	S25-H29 PolarHBondContact O-N 3.16Å; K26-H29 PolarHBondContact O-N 3.43Å; V27-H29 VanDerWaalsContact C-N 3.31Å; V27-H29 PolarHBondContact O-N 3.05Å; H29-N33 PolarHBondContact CE1-ND2 2.86Å; H29-N33 PolarHBondContact ND1-ND2 3.27Å; H29-N33 VanDerWaalsContact O-CG 3.27Å; H29-N33 PolarHBondContact O-N 3.36Å; H29-N33 PolarHBondContact O-ND2 2.89Å
30	V	89.9	Confident	89.6	Confident	15 Å²	15	60 Å²	60	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-49	172.5	166.6	0	0	0	0	110.5	F13 K26 V27 N28 N33 V34 Y222	F13-V30 HydrophobicContact CE2-CG2 4.35Å; F13-V30 HydrophobicContact CZ-CG2 3.83Å; K26-V30 PolarHBondContact O-N 3.03Å; K26-V30 VanDerWaalsContact O-N 3.16Å; V27-V30 WeakPolarHBondContact O-CB 3.25Å; V27-V30 PolarHBondContact O-N 3.31Å; V27-V30 VanDerWaalsContact O-N 3.14Å; N28-V30 VanDerWaalsContact C-N 3.33Å; N28-V30 PolarHBondContact O-N 3.22Å; V30-N33 PolarHBondContact O-N 2.98Å; V30-V34 WeakPolarHBondContact O-CG2 3.44Å; V30-V34 PolarHBondContact O-N 3.41Å; V30-V34 VanDerWaalsContact O-N 3.15Å; V30-Y222 HydrophobicContact CG1-CD1 3.98Å; V30-Y222 HydrophobicContact CG1-CE1 4.42Å; V30-Y222 HydrophobicContact CG2-CD1 4.12Å; V30-Y222 HydrophobicContact CG2-CG 4.39Å
31	F	89.1	Confident	89.3	Confident	31 Å²	31	59 Å²	59	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-70.3	-35.1	-177.7	-79.4	-74.8	0	0	0	113.5	V27 N28 N33 V34 S35 Y38 M116 N160	V27-F31 HydrophobicContact CG1-CD2 3.71Å; V27-F31 HydrophobicContact CG1-CE2 3.72Å; V27-F31 WeakPolarHBondContact O-CD2 3.23Å; V27-F31 PolarHBondContact O-N 2.82Å; N28-F31 PolarHBondContact O-N 3.14Å; N28-F31 VanDerWaalsContact O-N 3.12Å; F31-N33 VanDerWaalsContact C-N 3.29Å; F31-N33 PolarHBondContact O-N 3.21Å; F31-V34 HydrophobicContact CD1-CG2 4.28Å; F31-V34 PolarHBondContact O-N 3.15Å; F31-S35 WeakPolarHBondContact O-CA 3.3Å; F31-S35 WeakPolarHBondContact O-CB 3.39Å; F31-S35 PolarHBondContact O-N 3.41Å; F31-Y38 HydrophobicContact CE1-CE2 4.12Å; F31-M116 HydrophobicContact CD1-CE 4.43Å; F31-M116 HydrophobicContact CD1-SD 4.4Å; F31-N160 HydrophobicContact CE2-CB 4.15Å
32	E	87.7	Confident	89.2	Confident	111 Å²	111	53.5 Å²	53.5	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-56.5	-45.2	171.6	-76.8	170.6	-165.9	0	0	110.9	N28 S35	N28-E32 WeakPolarHBondContact O-CG 3.5Å; N28-E32 PolarHBondContact O-N 3.16Å; E32-S35 PolarHBondContact O-OG 3.18Å
33	N	86.4	Confident	89	Confident	87 Å²	87	52.4 Å²	52.4	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-69	-36.3	-179.3	-70.4	-15.6	0	0	0	113.8	H29 V30 F31 D216	H29-N33 PolarHBondContact CE1-ND2 2.86Å; H29-N33 PolarHBondContact ND1-ND2 3.27Å; H29-N33 VanDerWaalsContact O-CG 3.27Å; H29-N33 PolarHBondContact O-N 3.36Å; H29-N33 PolarHBondContact O-ND2 2.89Å; V30-N33 PolarHBondContact O-N 2.98Å; F31-N33 VanDerWaalsContact C-N 3.29Å; F31-N33 PolarHBondContact O-N 3.21Å; N33-D216 WeakPolarHBondContact CB-OD2 3.47Å
34	V	87.2	Confident	88.6	Confident	12 Å²	12	54.9 Å²	54.9	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-95.9	-15.4	-175	-54.7	0	0	0	0	114.1	V30 F31 K36 K37 Y38	V30-V34 WeakPolarHBondContact O-CG2 3.44Å; V30-V34 PolarHBondContact O-N 3.41Å; V30-V34 VanDerWaalsContact O-N 3.15Å; F31-V34 HydrophobicContact CD1-CG2 4.28Å; F31-V34 PolarHBondContact O-N 3.15Å; V34-K36 PolarHBondContact O-N 3.43Å; V34-K37 CarbonylContact O-C 3.57Å; V34-K37 PolarHBondContact O-N 2.95Å; V34-Y38 HydrophobicContact CG2-CD2 4.28Å; V34-Y38 WeakPolarHBondContact O-CA 3.47Å; V34-Y38 PolarHBondContact O-N 2.93Å
35	S	86.5	Confident	88.1	Confident	9 Å²	9	54.4 Å²	54.4	6%	0.063	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-46.1	-53.6	-170.8	55.6	0	0	0	0	114.4	F31 E32 K37 Y38 M116	F31-S35 WeakPolarHBondContact O-CA 3.3Å; F31-S35 WeakPolarHBondContact O-CB 3.39Å; F31-S35 PolarHBondContact O-N 3.41Å; E32-S35 PolarHBondContact O-OG 3.18Å; S35-K37 VanDerWaalsContact C-N 3.25Å; S35-K37 PolarHBondContact O-N 3.18Å; S35-Y38 WeakPolarHBondContact O-CB 3.41Å; S35-Y38 PolarHBondContact O-N 3.43Å; S35-M116 VanDerWaalsContact CA-SD 3.53Å
36	K	85.2	Confident	87.7	Confident	191 Å²	191	52 Å²	52	83%	0.83	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-65.7	-23.4	-177.9	-66.7	-178.4	-179.2	178.5	0	114.4	V34	V34-K36 PolarHBondContact O-N 3.43Å
37	K	85.4	Confident	87.4	Confident	89 Å²	89	56.4 Å²	56.4	39%	0.387	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-112.7	9	-179	-65.8	-177.8	178.8	179	0	112.2	V34 S35 D39 L40 M41 V213 A214	V34-K37 CarbonylContact O-C 3.57Å; V34-K37 PolarHBondContact O-N 2.95Å; S35-K37 VanDerWaalsContact C-N 3.25Å; S35-K37 PolarHBondContact O-N 3.18Å; K37-D39 PolarHBondContact O-N 3.16Å; K37-L40 PolarHBondContact O-N 3.1Å; K37-M41 HydrophobicContact CB-CG 4.21Å; K37-M41 WeakPolarHBondContact O-CB 3.35Å; K37-M41 VanDerWaalsContact O-CG 3.22Å; K37-M41 WeakPolarHBondContact O-CG 3.42Å; K37-M41 PolarHBondContact O-N 3.07Å; K37-V213 PolarHBondContact NZ-O 3.08Å; K37-A214 HydrophobicContact CD-CB 4.25Å
38	Y	85.6	Confident	87.2	Confident	34 Å²	34	57.4 Å²	57.4	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-51.7	-169.7	-179.9	-97	0	0	0	111.9	F31 V34 S35 L40 M41 N42 T76 M116	F31-Y38 HydrophobicContact CE1-CE2 4.12Å; V34-Y38 HydrophobicContact CG2-CD2 4.28Å; V34-Y38 WeakPolarHBondContact O-CA 3.47Å; V34-Y38 PolarHBondContact O-N 2.93Å; S35-Y38 WeakPolarHBondContact O-CB 3.41Å; S35-Y38 PolarHBondContact O-N 3.43Å; Y38-L40 PolarHBondContact O-N 2.9Å; Y38-M41 PolarHBondContact O-N 3.25Å; Y38-N42 WeakPolarHBondContact CD1-ND2 3.48Å; Y38-N42 WeakPolarHBondContact CE1-ND2 3.36Å; Y38-N42 PolarHBondContact O-N 2.82Å; Y38-N42 PolarHBondContact O-ND2 3.01Å; Y38-T76 HydrophobicContact CD1-CG2 4.34Å; Y38-M116 HydrophobicContact CD1-CE 3.87Å; Y38-M116 HydrophobicContact CD2-CE 3.91Å; Y38-M116 HydrophobicContact CE1-CE 4.12Å; Y38-M116 HydrophobicContact CE2-CE 4.17Å; Y38-M116 HydrophobicContact CG-CE 3.76Å; Y38-M116 HydrophobicContact CG-SD 4.48Å
39	D	84.8	Confident	87.2	Confident	39 Å²	39	58.2 Å²	58.2	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-39.8	-178.4	-65.7	-37.7	0	0	0	112.1	K37 M41 N42 D43 T76 R123	K37-D39 PolarHBondContact O-N 3.16Å; D39-M41 VanDerWaalsContact C-N 3.31Å; D39-M41 PolarHBondContact O-N 2.71Å; D39-N42 PolarHBondContact O-N 3.23Å; D39-D43 PolarHBondContact O-N 2.89Å; D39-T76 PolarHBondContact OD1-OG1 3.24Å; D39-T76 PolarHBondContact OD2-OG1 3.42Å; D39-R123 IonicContact OD1-NH1 3.96Å; D39-R123 IonicContact OD2-CZ 3.56Å; D39-R123 IonicContact OD2-NH1 2.76Å; D39-R123 PolarHBondContact OD2-NH1 3.44Å
40	L	87.3	Confident	87.2	Confident	89 Å²	89	53.5 Å²	53.5	47%	0.466	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-43	174.1	174.4	64	0	0	0	111.5	K37 Y38 D43 I44	K37-L40 PolarHBondContact O-N 3.1Å; Y38-L40 PolarHBondContact O-N 2.9Å; L40-D43 WeakPolarHBondContact O-CB 3.35Å; L40-D43 PolarHBondContact O-N 3.34Å; L40-I44 HydrophobicContact CD1-CD1 4Å; L40-I44 HydrophobicContact CD1-CG1 4.42Å; L40-I44 HydrophobicContact CG-CD1 4Å; L40-I44 WeakPolarHBondContact O-CG1 3.47Å; L40-I44 PolarHBondContact O-N 3.47Å
41	M	87.2	Confident	87.4	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-74.5	-33.6	-177.3	-70.3	-66.4	-44.8	0	0	111.3	K37 Y38 D39 D43 I44 M45 I209 V213 A214 Y220	K37-M41 HydrophobicContact CB-CG 4.21Å; K37-M41 WeakPolarHBondContact O-CB 3.35Å; K37-M41 VanDerWaalsContact O-CG 3.22Å; K37-M41 WeakPolarHBondContact O-CG 3.42Å; K37-M41 PolarHBondContact O-N 3.07Å; Y38-M41 PolarHBondContact O-N 3.25Å; D39-M41 VanDerWaalsContact C-N 3.31Å; D39-M41 PolarHBondContact O-N 2.71Å; M41-D43 VanDerWaalsContact C-N 3.34Å; M41-I44 PolarHBondContact O-N 3Å; M41-I44 HydrophobicContact SD-CD1 4.17Å; M41-M45 HydrophobicContact CB-CE 4.14Å; M41-M45 HydrophobicContact CE-CG 4.34Å; M41-M45 VanDerWaalsContact O-CB 3.28Å; M41-M45 WeakPolarHBondContact O-CB 3.49Å; M41-M45 VanDerWaalsContact O-CE 3.26Å; M41-M45 WeakPolarHBondContact O-CE 3.34Å; M41-M45 WeakPolarHBondContact O-CG 3.47Å; M41-M45 PolarHBondContact O-N 3.39Å; M41-I209 HydrophobicContact CE-CG2 4.19Å; M41-V213 HydrophobicContact SD-CB 3.85Å; M41-V213 HydrophobicContact SD-CG1 3.63Å; M41-A214 HydrophobicContact CG-CB 4.31Å; M41-A214 HydrophobicContact SD-CB 4.07Å; M41-Y220 HydrophobicContact CB-CE1 4.1Å; M41-Y220 WeakPolarHBondContact CB-OH 3.39Å; M41-Y220 HydrophobicContact CE-CD1 4.26Å; M41-Y220 HydrophobicContact CE-CE1 3.5Å; M41-Y220 VanDerWaalsContact CE-CE1 3.5Å; M41-Y220 HydrophobicContact CE-CE2 4.17Å; M41-Y220 VanDerWaalsContact CE-CZ 3.49Å; M41-Y220 HydrophobicContact CG-CE1 4.43Å; M41-Y220 WeakPolarHBondContact CG-OH 3.5Å
42	N	88.2	Confident	87.6	Confident	27 Å²	27	63.3 Å²	63.3	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-44.6	167.7	-72.5	-28	0	0	0	111.5	Y38 D39 I44 S46 H50	Y38-N42 WeakPolarHBondContact CD1-ND2 3.48Å; Y38-N42 WeakPolarHBondContact CE1-ND2 3.36Å; Y38-N42 PolarHBondContact O-N 2.82Å; Y38-N42 PolarHBondContact O-ND2 3.01Å; D39-N42 PolarHBondContact O-N 3.23Å; N42-I44 PolarHBondContact O-N 2.88Å; N42-S46 VanDerWaalsContact O-CB 3.3Å; N42-S46 WeakPolarHBondContact O-CB 3.15Å; N42-S46 PolarHBondContact O-N 3.49Å; N42-S46 PolarHBondContact O-OG 2.85Å; N42-H50 PolarHBondContact O-ND1 2.88Å
43	D	88.3	Confident	88	Confident	37 Å²	37	58.7 Å²	58.7	20%	0.198	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-47.9	176.3	-84.4	-34.8	0	0	0	111.7	D39 L40 M41 F47 G48 H50 R51	D39-D43 PolarHBondContact O-N 2.89Å; L40-D43 WeakPolarHBondContact O-CB 3.35Å; L40-D43 PolarHBondContact O-N 3.34Å; M41-D43 VanDerWaalsContact C-N 3.34Å; D43-F47 CarbonylContact O-C 3.4Å; D43-F47 WeakPolarHBondContact O-CA 3.49Å; D43-F47 PolarHBondContact O-N 3.42Å; D43-G48 PolarHBondContact O-N 3.37Å; D43-H50 PolarHBondContact N-CE1 3.43Å; D43-H50 IonicContact OD1-CE1 2.7Å; D43-H50 PolarHBondContact OD1-CE1 2.85Å; D43-H50 IonicContact OD1-ND1 3.6Å; D43-H50 IonicContact OD1-NE2 3.1Å; D43-R51 VanDerWaalsContact CG-NH2 3.27Å; D43-R51 IonicContact OD1-CZ 3.69Å; D43-R51 IonicContact OD1-NE 2.73Å; D43-R51 PolarHBondContact OD1-NE 3.47Å; D43-R51 IonicContact OD1-NH1 3.49Å; D43-R51 PolarHBondContact OD1-NH1 3.42Å; D43-R51 IonicContact OD1-NH2 3.1Å; D43-R51 PolarHBondContact OD1-NH2 3.44Å; D43-R51 VanDerWaalsContact OD1-NH2 3.1Å; D43-R51 IonicContact OD2-CZ 3.22Å; D43-R51 IonicContact OD2-NH2 3.73Å; D43-R51 PolarHBondContact OD2-NH2 3.28Å
44	I	86.6	Confident	88.5	Confident	54 Å²	54	55 Å²	55	28%	0.277	26%	0.262	S	S	.	.	H	α-helix	trans	-66.8	-50.2	-178.2	-67	168.5	0	0	0	110.8	L40 M41 N42 S46 F47 I209 V213	L40-I44 HydrophobicContact CD1-CD1 4Å; L40-I44 HydrophobicContact CD1-CG1 4.42Å; L40-I44 HydrophobicContact CG-CD1 4Å; L40-I44 WeakPolarHBondContact O-CG1 3.47Å; L40-I44 PolarHBondContact O-N 3.47Å; M41-I44 PolarHBondContact O-N 3Å; M41-I44 HydrophobicContact SD-CD1 4.17Å; N42-I44 PolarHBondContact O-N 2.88Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 3.4Å; I44-F47 PolarHBondContact O-N 3.29Å; I44-I209 HydrophobicContact CG2-CG2 3.55Å; I44-V213 HydrophobicContact CD1-CG1 3.75Å; I44-V213 HydrophobicContact CD1-CG2 4.35Å
45	M	82.9	Confident	88.9	Confident	25 Å²	25	57.5 Å²	57.5	12%	0.123	28%	0.276	C	S	.	.	H	α-helix	trans	-68.2	-33.2	-173.9	-69.3	-175.9	-66	0	0	112.9	M41 Y201 I206 Y220 L223	M41-M45 HydrophobicContact CB-CE 4.14Å; M41-M45 HydrophobicContact CE-CG 4.34Å; M41-M45 VanDerWaalsContact O-CB 3.28Å; M41-M45 WeakPolarHBondContact O-CB 3.49Å; M41-M45 VanDerWaalsContact O-CE 3.26Å; M41-M45 WeakPolarHBondContact O-CE 3.34Å; M41-M45 WeakPolarHBondContact O-CG 3.47Å; M41-M45 PolarHBondContact O-N 3.39Å; M45-Y201 PolarHBondContact O-OH 3.31Å; M45-I206 HydrophobicContact CG-CG2 4.48Å; M45-I206 HydrophobicContact SD-CG2 3.77Å; M45-Y220 HydrophobicContact CE-CD1 4.22Å; M45-Y220 HydrophobicContact CE-CE1 3.84Å; M45-Y220 HydrophobicContact SD-CD1 3.49Å; M45-Y220 WeakPolarHBondContact SD-CD1 3.47Å; M45-Y220 HydrophobicContact SD-CE1 3.64Å; M45-L223 HydrophobicContact CE-CD2 3.79Å; M45-L223 HydrophobicContact SD-CD2 3.59Å; M45-L223 VanDerWaalsContact SD-CD2 3.59Å
46	S	84.4	Confident	89.3	Confident	17 Å²	17	58.4 Å²	58.4	12%	0.119	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	1.2	178.6	84.5	0	0	0	0	113.3	N42 I44 G48 V49 H50	N42-S46 VanDerWaalsContact O-CB 3.3Å; N42-S46 WeakPolarHBondContact O-CB 3.15Å; N42-S46 PolarHBondContact O-N 3.49Å; N42-S46 PolarHBondContact O-OG 2.85Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 3.4Å; S46-G48 PolarHBondContact O-N 3.19Å; S46-G48 PolarHBondContact OG-N 2.91Å; S46-V49 VanDerWaalsContact O-CB 3.27Å; S46-V49 WeakPolarHBondContact O-CB 3.09Å; S46-V49 VanDerWaalsContact O-CG2 3.25Å; S46-V49 WeakPolarHBondContact O-CG2 3.36Å; S46-V49 PolarHBondContact O-N 2.83Å; S46-V49 PolarHBondContact OG-N 2.8Å; S46-H50 WeakPolarHBondContact OG-CB 3.41Å; S46-H50 PolarHBondContact OG-N 3.27Å; S46-H50 PolarHBondContact OG-ND1 3.15Å
47	F	86	Confident	89.9	Confident	160 Å²	160	49.3 Å²	49.3	70%	0.702	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	40.4	-167.6	-57	-83.3	0	0	0	112.9	D43 I44 V49 Y201	D43-F47 CarbonylContact O-C 3.4Å; D43-F47 WeakPolarHBondContact O-CA 3.49Å; D43-F47 PolarHBondContact O-N 3.42Å; I44-F47 PolarHBondContact O-N 3.29Å; F47-V49 PolarHBondContact O-N 2.95Å; F47-Y201 AromaticContact CE2-CE2 3.99Å; F47-Y201 HydrophobicContact CE2-CE2 3.99Å; F47-Y201 AromaticContact CE2-CZ 3.87Å; F47-Y201 WeakPolarHBondContact CE2-OH 3.46Å; F47-Y201 HydrophobicContact CZ-CE2 4.21Å
48	G	89.1	Confident	90.5	Very high	24 Å²	24	45.2 Å²	45.2	25%	0.247	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-8.5	-177.8	0	0	0	0	0	116.3	D43 S46 H50 R51	D43-G48 PolarHBondContact O-N 3.37Å; S46-G48 PolarHBondContact O-N 3.19Å; S46-G48 PolarHBondContact OG-N 2.91Å; G48-H50 PolarHBondContact O-N 3.48Å; G48-H50 VanDerWaalsContact O-N 3.16Å; G48-R51 PolarHBondContact O-N 3.34Å; G48-R51 VanDerWaalsContact O-N 3.15Å
49	V	92.3	Very high	90.8	Very high	58 Å²	58	47.5 Å²	47.5	35%	0.352	24%	0.239	S	C	.	.	H	α-helix	trans	-61.4	-25.8	-178.1	-176.8	0	0	0	0	112.8	S46 F47 R51 F52 W53	S46-V49 VanDerWaalsContact O-CB 3.27Å; S46-V49 WeakPolarHBondContact O-CB 3.09Å; S46-V49 VanDerWaalsContact O-CG2 3.25Å; S46-V49 WeakPolarHBondContact O-CG2 3.36Å; S46-V49 PolarHBondContact O-N 2.83Å; S46-V49 PolarHBondContact OG-N 2.8Å; F47-V49 PolarHBondContact O-N 2.95Å; V49-R51 PolarHBondContact O-N 3.07Å; V49-R51 VanDerWaalsContact O-N 3.15Å; V49-F52 WeakPolarHBondContact O-CB 3.22Å; V49-F52 PolarHBondContact O-N 3.32Å; V49-W53 HydrophobicContact CB-CZ2 4.34Å; V49-W53 HydrophobicContact CG1-CD2 4.2Å; V49-W53 HydrophobicContact CG1-CH2 4.42Å; V49-W53 HydrophobicContact CG1-CZ2 3.67Å; V49-W53 PolarHBondContact O-N 2.65Å; V49-W53 VanDerWaalsContact O-N 3.12Å
50	H	91.5	Very high	91.3	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-28.7	177.5	78.3	-91.8	0	0	0	113.2	N42 D43 S46 G48 W53 K54	N42-H50 PolarHBondContact O-ND1 2.88Å; D43-H50 PolarHBondContact N-CE1 3.43Å; D43-H50 IonicContact OD1-CE1 2.7Å; D43-H50 PolarHBondContact OD1-CE1 2.85Å; D43-H50 IonicContact OD1-ND1 3.6Å; D43-H50 IonicContact OD1-NE2 3.1Å; S46-H50 WeakPolarHBondContact OG-CB 3.41Å; S46-H50 PolarHBondContact OG-N 3.27Å; S46-H50 PolarHBondContact OG-ND1 3.15Å; G48-H50 PolarHBondContact O-N 3.48Å; G48-H50 VanDerWaalsContact O-N 3.16Å; H50-W53 HydrophobicContact CB-CE3 3.95Å; H50-W53 HydrophobicContact CB-CZ3 4.28Å; H50-W53 PolarHBondContact O-N 3.35Å; H50-K54 VanDerWaalsContact O-CG 3.3Å; H50-K54 WeakPolarHBondContact O-CG 3.26Å; H50-K54 PolarHBondContact O-N 2.89Å
51	R	93.2	Very high	91.7	Very high	124 Å²	124	46.4 Å²	46.4	47%	0.468	23%	0.226	S	C	.	.	H	α-helix	trans	-62.7	-46.2	175.5	-66.2	-178.8	173.7	142.8	2.9	110.5	D43 G48 V49 W53 K54 D55 R82	D43-R51 VanDerWaalsContact CG-NH2 3.27Å; D43-R51 IonicContact OD1-CZ 3.69Å; D43-R51 IonicContact OD1-NE 2.73Å; D43-R51 PolarHBondContact OD1-NE 3.47Å; D43-R51 IonicContact OD1-NH1 3.49Å; D43-R51 PolarHBondContact OD1-NH1 3.42Å; D43-R51 IonicContact OD1-NH2 3.1Å; D43-R51 PolarHBondContact OD1-NH2 3.44Å; D43-R51 VanDerWaalsContact OD1-NH2 3.1Å; D43-R51 IonicContact OD2-CZ 3.22Å; D43-R51 IonicContact OD2-NH2 3.73Å; D43-R51 PolarHBondContact OD2-NH2 3.28Å; G48-R51 PolarHBondContact O-N 3.34Å; G48-R51 VanDerWaalsContact O-N 3.15Å; V49-R51 PolarHBondContact O-N 3.07Å; V49-R51 VanDerWaalsContact O-N 3.15Å; R51-W53 PolarHBondContact O-N 3.42Å; R51-K54 PolarHBondContact O-N 2.82Å; R51-D55 PolarHBondContact O-N 3.31Å; R51-D55 VanDerWaalsContact O-OD2 3.09Å; R51-R82 PolarHBondContact O-NH1 3.25Å
52	F	93.8	Very high	91.8	Very high	129 Å²	129	51.7 Å²	51.7	57%	0.566	25%	0.252	S	S	*	.	H	α-helix	trans	-61	-44.2	175.8	176.4	-102	0	0	0	111.7	V49 K54 D55 C56	V49-F52 WeakPolarHBondContact O-CB 3.22Å; V49-F52 PolarHBondContact O-N 3.32Å; F52-K54 VanDerWaalsContact C-N 3.33Å; F52-K54 PolarHBondContact O-N 3.12Å; F52-D55 PolarHBondContact O-N 3.37Å; F52-C56 WeakPolarHBondContact CZ-SG 3.41Å; F52-C56 WeakPolarHBondContact O-CB 3.19Å; F52-C56 PolarHBondContact O-N 3.19Å; F52-C56 PolarHBondContact O-SG 2.93Å; F52-C56 VanDerWaalsContact O-SG 3.38Å
53	W	96.4	Very high	91.9	Very high	14 Å²	14	50.4 Å²	50.4	5%	0.053	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-43.2	175.9	-62.6	-30.4	0	0	0	112.5	V49 H50 R51 C56 F57 F156 F186 Y253 S254 I257 V258	V49-W53 HydrophobicContact CB-CZ2 4.34Å; V49-W53 HydrophobicContact CG1-CD2 4.2Å; V49-W53 HydrophobicContact CG1-CH2 4.42Å; V49-W53 HydrophobicContact CG1-CZ2 3.67Å; V49-W53 PolarHBondContact O-N 2.65Å; V49-W53 VanDerWaalsContact O-N 3.12Å; H50-W53 HydrophobicContact CB-CE3 3.95Å; H50-W53 HydrophobicContact CB-CZ3 4.28Å; H50-W53 PolarHBondContact O-N 3.35Å; R51-W53 PolarHBondContact O-N 3.42Å; W53-C56 PolarHBondContact O-N 2.96Å; W53-F57 WeakPolarHBondContact O-CB 3.49Å; W53-F57 PolarHBondContact O-N 2.92Å; W53-F156 HydrophobicContact CE3-CZ 4.2Å; W53-F186 HydrophobicContact CZ3-CE1 4.19Å; W53-Y253 HydrophobicContact CB-CD2 4.23Å; W53-Y253 AromaticContact CD1-CD2 3.96Å; W53-Y253 HydrophobicContact CG-CD2 4.32Å; W53-S254 WeakPolarHBondContact CZ2-OG 3.47Å; W53-S254 PolarHBondContact NE1-OG 3.17Å; W53-I257 HydrophobicContact CH2-CG2 4.07Å; W53-I257 HydrophobicContact CZ2-CG2 4.4Å; W53-V258 HydrophobicContact CD2-CB 4.28Å; W53-V258 HydrophobicContact CD2-CG2 3.86Å; W53-V258 HydrophobicContact CE3-CB 4.4Å; W53-V258 HydrophobicContact CE3-CG2 3.54Å; W53-V258 HydrophobicContact CH2-CG2 3.9Å; W53-V258 HydrophobicContact CZ2-CG2 4.16Å; W53-V258 HydrophobicContact CZ3-CG2 3.57Å
54	K	96.8	Very high	91.8	Very high	8 Å²	8	51 Å²	51	4%	0.035	25%	0.25	C	C	.	.	H	α-helix	trans	-70	-34.9	178.5	-67.9	177.6	180	175.1	0	112.6	H50 R51 F52 F57 V58 D78 I79 F156 L184	H50-K54 VanDerWaalsContact O-CG 3.3Å; H50-K54 WeakPolarHBondContact O-CG 3.26Å; H50-K54 PolarHBondContact O-N 2.89Å; R51-K54 PolarHBondContact O-N 2.82Å; F52-K54 VanDerWaalsContact C-N 3.33Å; F52-K54 PolarHBondContact O-N 3.12Å; K54-F57 WeakPolarHBondContact O-CB 3.27Å; K54-F57 PolarHBondContact O-N 2.83Å; K54-V58 WeakPolarHBondContact O-CG2 3.35Å; K54-V58 PolarHBondContact O-N 2.9Å; K54-D78 WeakPolarHBondContact CD-OD2 3.27Å; K54-D78 WeakPolarHBondContact CE-OD2 3.29Å; K54-D78 IonicContact NZ-OD2 3.93Å; K54-D78 PolarHBondContact NZ-OD2 3.06Å; K54-I79 HydrophobicContact CB-CD1 3.95Å; K54-I79 HydrophobicContact CD-CD1 4.13Å; K54-I79 HydrophobicContact CG-CD1 3.9Å; K54-F156 HydrophobicContact CG-CE2 4.26Å; K54-L184 HydrophobicContact CG-CD2 3.93Å
55	D	95	Very high	91.5	Very high	66 Å²	66	50.3 Å²	50.3	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-64.9	-46.7	171.6	-73.9	-39.1	0	0	0	111.5	R51 F52 F57 V58 N59 R82	R51-D55 PolarHBondContact O-N 3.31Å; R51-D55 VanDerWaalsContact O-OD2 3.09Å; F52-D55 PolarHBondContact O-N 3.37Å; D55-F57 VanDerWaalsContact C-N 3.3Å; D55-F57 PolarHBondContact O-N 3.37Å; D55-V58 PolarHBondContact O-N 2.94Å; D55-N59 VanDerWaalsContact O-CB 3.32Å; D55-N59 WeakPolarHBondContact O-CB 3.2Å; D55-N59 PolarHBondContact O-N 3.32Å; D55-N59 PolarHBondContact O-ND2 2.73Å; D55-R82 IonicContact OD1-CZ 3.48Å; D55-R82 IonicContact OD1-NH1 3.19Å; D55-R82 PolarHBondContact OD1-NH1 3.28Å; D55-R82 IonicContact OD2-NH1 3.37Å; D55-R82 PolarHBondContact OD2-NH1 3.02Å
56	C	95.8	Very high	91.6	Very high	27 Å²	27	57.8 Å²	57.8	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-40.5	174.1	-71.9	0	0	0	0	112.2	F52 W53 N59 R60 Y253	F52-C56 WeakPolarHBondContact CZ-SG 3.41Å; F52-C56 WeakPolarHBondContact O-CB 3.19Å; F52-C56 PolarHBondContact O-N 3.19Å; F52-C56 PolarHBondContact O-SG 2.93Å; F52-C56 VanDerWaalsContact O-SG 3.38Å; W53-C56 PolarHBondContact O-N 2.96Å; C56-N59 PolarHBondContact O-N 3.29Å; C56-R60 WeakPolarHBondContact O-CB 3.34Å; C56-R60 PolarHBondContact O-N 3.3Å; C56-Y253 HydrophobicContact CB-CE1 4.41Å; C56-Y253 HydrophobicContact CB-CE2 3.75Å
57	F	98	Very high	92	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-49.5	175.4	177.4	-113.7	0	0	0	112	W53 K54 D55 R60 I61 I79 T153 A155 L184 V260	W53-F57 WeakPolarHBondContact O-CB 3.49Å; W53-F57 PolarHBondContact O-N 2.92Å; K54-F57 WeakPolarHBondContact O-CB 3.27Å; K54-F57 PolarHBondContact O-N 2.83Å; D55-F57 VanDerWaalsContact C-N 3.3Å; D55-F57 PolarHBondContact O-N 3.37Å; F57-R60 WeakPolarHBondContact O-CB 3.28Å; F57-R60 PolarHBondContact O-N 3.16Å; F57-I61 HydrophobicContact CD1-CD1 4Å; F57-I61 HydrophobicContact CE1-CD1 3.71Å; F57-I61 HydrophobicContact CE2-CD1 4.43Å; F57-I61 HydrophobicContact CG-CD1 4.48Å; F57-I61 HydrophobicContact CZ-CD1 3.96Å; F57-I61 WeakPolarHBondContact O-CG1 3.49Å; F57-I61 PolarHBondContact O-N 3.35Å; F57-I79 HydrophobicContact CD1-CD1 3.92Å; F57-I79 HydrophobicContact CE1-CD1 4.3Å; F57-I79 HydrophobicContact CE1-CG1 4.5Å; F57-I79 HydrophobicContact CE1-CG2 4.16Å; F57-T153 HydrophobicContact CE1-CG2 4.2Å; F57-T153 HydrophobicContact CZ-CG2 4.23Å; F57-A155 HydrophobicContact CE1-CB 4.48Å; F57-L184 HydrophobicContact CB-CD1 4.29Å; F57-L184 HydrophobicContact CB-CD2 4.02Å; F57-L184 HydrophobicContact CD1-CB 4.3Å; F57-L184 HydrophobicContact CD1-CD2 4.39Å; F57-L184 HydrophobicContact CD2-CB 3.68Å; F57-L184 HydrophobicContact CD2-CD1 4.39Å; F57-L184 HydrophobicContact CD2-CG 4.46Å; F57-L184 HydrophobicContact CE1-CB 4.38Å; F57-L184 HydrophobicContact CE2-CB 3.74Å; F57-L184 HydrophobicContact CG-CB 3.94Å; F57-L184 HydrophobicContact CG-CD2 4.13Å; F57-L184 HydrophobicContact CG-CG 4.44Å; F57-L184 HydrophobicContact CZ-CB 4.1Å; F57-V260 HydrophobicContact CB-CG2 4.42Å; F57-V260 HydrophobicContact CD2-CB 4.4Å; F57-V260 HydrophobicContact CD2-CG1 3.74Å; F57-V260 HydrophobicContact CD2-CG2 3.75Å; F57-V260 HydrophobicContact CE2-CG1 3.99Å
58	V	96.4	Very high	92.4	Very high	4 Å²	4	55 Å²	55	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-67.1	-39.6	178.1	169.6	0	0	0	0	112.1	K54 D55 R60 I61 M62 P63 I79 R82 L83 Y86	K54-V58 WeakPolarHBondContact O-CG2 3.35Å; K54-V58 PolarHBondContact O-N 2.9Å; D55-V58 PolarHBondContact O-N 2.94Å; V58-R60 PolarHBondContact O-N 2.86Å; V58-I61 WeakPolarHBondContact O-CB 2.91Å; V58-I61 PolarHBondContact O-N 3.36Å; V58-I61 VanDerWaalsContact O-N 3.1Å; V58-M62 PolarHBondContact O-N 3.4Å; V58-M62 VanDerWaalsContact O-N 3.17Å; V58-P63 HydrophobicContact CG1-CG 4.05Å; V58-P63 WeakPolarHBondContact O-CD 3.3Å; V58-I79 HydrophobicContact CG2-CG2 4.29Å; V58-R82 HydrophobicContact CB-CB 4.23Å; V58-R82 HydrophobicContact CG1-CB 4.21Å; V58-R82 HydrophobicContact CG2-CB 3.69Å; V58-L83 HydrophobicContact CG1-CD2 4.21Å; V58-L83 HydrophobicContact CG2-CD2 4.32Å; V58-Y86 HydrophobicContact CG1-CD2 4.43Å; V58-Y86 HydrophobicContact CG1-CG 4.39Å
59	N	93.8	Very high	92.9	Very high	81 Å²	81	53.9 Å²	53.9	43%	0.433	25%	0.254	S	S	.	.	H	α-helix	trans	-59.4	-34.7	173.6	-71.6	-23.3	0	0	0	112	D55 C56 M62 Y86	D55-N59 VanDerWaalsContact O-CB 3.32Å; D55-N59 WeakPolarHBondContact O-CB 3.2Å; D55-N59 PolarHBondContact O-N 3.32Å; D55-N59 PolarHBondContact O-ND2 2.73Å; C56-N59 PolarHBondContact O-N 3.29Å; N59-M62 WeakPolarHBondContact O-CG 3.45Å; N59-M62 PolarHBondContact O-N 3.29Å; N59-Y86 VanDerWaalsContact OD1-CD2 3.31Å; N59-Y86 WeakPolarHBondContact OD1-CD2 3.48Å; N59-Y86 WeakPolarHBondContact OD1-CE2 3.17Å
60	R	94.6	Very high	93.2	Very high	105 Å²	105	51.1 Å²	51.1	40%	0.396	24%	0.238	S	C	.	.	H	α-helix	trans	-70.4	-33	176.5	-175.6	62.1	172	-173.6	1.2	112.7	C56 F57 V58 M62 Y182 M262	C56-R60 WeakPolarHBondContact O-CB 3.34Å; C56-R60 PolarHBondContact O-N 3.3Å; F57-R60 WeakPolarHBondContact O-CB 3.28Å; F57-R60 PolarHBondContact O-N 3.16Å; V58-R60 PolarHBondContact O-N 2.86Å; R60-M62 VanDerWaalsContact C-N 3.29Å; R60-Y182 HydrophobicContact CG-CE1 4.23Å; R60-M262 PolarHBondContact NH2-SD 2.74Å
61	I	95.3	Very high	93.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.2	-34.9	175.7	-66.3	162.8	0	0	0	110.7	F57 V58 P63 Y69 L83 V151 T153 R180 Y182	F57-I61 HydrophobicContact CD1-CD1 4Å; F57-I61 HydrophobicContact CE1-CD1 3.71Å; F57-I61 HydrophobicContact CE2-CD1 4.43Å; F57-I61 HydrophobicContact CG-CD1 4.48Å; F57-I61 HydrophobicContact CZ-CD1 3.96Å; F57-I61 WeakPolarHBondContact O-CG1 3.49Å; F57-I61 PolarHBondContact O-N 3.35Å; V58-I61 WeakPolarHBondContact O-CB 2.91Å; V58-I61 PolarHBondContact O-N 3.36Å; V58-I61 VanDerWaalsContact O-N 3.1Å; I61-P63 HydrophobicContact CG2-CB 4.46Å; I61-Y69 HydrophobicContact CG2-CE1 4Å; I61-L83 HydrophobicContact CD1-CD2 4.22Å; I61-L83 HydrophobicContact CG2-CD2 4.22Å; I61-V151 HydrophobicContact CG2-CG1 3.99Å; I61-T153 HydrophobicContact CD1-CG2 3.43Å; I61-T153 VanDerWaalsContact CD1-CG2 3.43Å; I61-T153 HydrophobicContact CG1-CG2 4.48Å; I61-R180 PolarHBondContact O-NH1 3.43Å; I61-R180 PolarHBondContact O-NH2 2.86Å; I61-Y182 HydrophobicContact CB-CE2 4.46Å; I61-Y182 HydrophobicContact CD1-CG 4.42Å; I61-Y182 HydrophobicContact CG1-CD1 4Å; I61-Y182 HydrophobicContact CG1-CD2 3.76Å; I61-Y182 HydrophobicContact CG1-CE1 4.28Å; I61-Y182 HydrophobicContact CG1-CE2 4.03Å; I61-Y182 HydrophobicContact CG1-CG 3.73Å; I61-Y182 HydrophobicContact CG2-CE2 4.39Å
62	M	89.8	Confident	93.8	Very high	114 Å²	114	44.8 Å²	44.8	56%	0.562	21%	0.213	S	C	*	.			trans	51.3	65.7	-172.5	-61.5	-178.4	-70.6	0	0	111	V58 N59 R60	V58-M62 PolarHBondContact O-N 3.4Å; V58-M62 VanDerWaalsContact O-N 3.17Å; N59-M62 WeakPolarHBondContact O-CG 3.45Å; N59-M62 PolarHBondContact O-N 3.29Å; R60-M62 VanDerWaalsContact C-N 3.29Å
63	P	89.8	Confident	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.			trans	-68.1	148.9	-174.1	29.3	-36.4	0	0	0	112.4	V58 I61 Y69 L83 Y86 I90	V58-P63 HydrophobicContact CG1-CG 4.05Å; V58-P63 WeakPolarHBondContact O-CD 3.3Å; I61-P63 HydrophobicContact CG2-CB 4.46Å; P63-Y69 WeakPolarHBondContact CA-OH 3.22Å; P63-Y69 HydrophobicContact CB-CE1 3.83Å; P63-Y69 HydrophobicContact CB-CE2 4.45Å; P63-Y69 WeakPolarHBondContact CB-OH 3.32Å; P63-L83 HydrophobicContact CB-CD2 3.77Å; P63-L83 HydrophobicContact CG-CD2 3.9Å; P63-Y86 VanDerWaalsContact CD-CD1 3.42Å; P63-Y86 HydrophobicContact CG-CD1 3.45Å; P63-Y86 VanDerWaalsContact CG-CD1 3.45Å; P63-Y86 HydrophobicContact CG-CE1 4.23Å; P63-Y86 HydrophobicContact CG-CG 3.74Å; P63-I90 VanDerWaalsContact O-CD1 3.25Å; P63-I90 WeakPolarHBondContact O-CD1 3.26Å
64	T	86.4	Confident	94	Very high	48 Å²	48	40 Å²	40	29%	0.294	20%	0.202	S	C	.	.			trans	-132.3	162.5	177.8	74.5	0	0	0	0	109.5	K66 Y69	T64-K66 PolarHBondContact O-N 3.11Å; T64-K66 PolarHBondContact OG1-N 3.15Å; T64-Y69 PolarHBondContact N-OH 3.48Å; T64-Y69 WeakPolarHBondContact O-CE2 3.36Å; T64-Y69 PolarHBondContact O-OH 3.38Å
65	D	81.3	Confident	93.8	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.219	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.1	178.4	58.4	-3.8	0	0	0	114.5	N91 M103	D65-N91 VanDerWaalsContact CG-ND2 3.33Å; D65-N91 PolarHBondContact OD2-ND2 2.79Å; D65-M103 WeakPolarHBondContact CB-O 3.44Å
66	K	84.4	Confident	93.7	Very high	181 Å²	181	36.8 Å²	36.8	79%	0.787	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-6	-175.5	-57.6	-173.9	-177.4	174.5	0	114.3	T64	T64-K66 PolarHBondContact O-N 3.11Å; T64-K66 PolarHBondContact OG1-N 3.15Å
67	L	91.6	Very high	93.7	Very high	44 Å²	44	35.5 Å²	35.5	23%	0.23	18%	0.177	C	C	.	.	S	Bend	trans	-111.7	152.8	-173.3	-60.9	-178.6	0	0	0	111.2	Y69 D150 V151	L67-Y69 HydrophobicContact CB-CE2 3.74Å; L67-Y69 WeakPolarHBondContact O-CD2 3.42Å; L67-Y69 VanDerWaalsContact O-CE2 3.27Å; L67-Y69 WeakPolarHBondContact O-CE2 3.2Å; L67-D150 HydrophobicContact CB-CB 4.13Å; L67-D150 HydrophobicContact CD2-CB 3.93Å; L67-D150 HydrophobicContact CG-CB 4.49Å; L67-V151 HydrophobicContact CD1-CG2 4.13Å
68	K	95.8	Very high	93.5	Very high	76 Å²	76	36.4 Å²	36.4	33%	0.33	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.9	172.3	-59.8	-169.8	172.2	-109.9	0	110.7	D106 F149 D150 V151	K68-D106 CarbonylContact C-O 3.59Å; K68-D106 WeakPolarHBondContact CA-O 3.48Å; K68-D106 WeakPolarHBondContact CE-OD2 3.44Å; K68-D106 HydrophobicContact CG-CB 4.12Å; K68-D106 IonicContact NZ-OD2 3.95Å; K68-D106 PolarHBondContact NZ-OD2 3.35Å; K68-F149 HydrophobicContact CB-CD1 4.13Å; K68-D150 PolarHBondContact N-OD2 3.02Å; K68-D150 PolarHBondContact O-N 3.32Å; K68-V151 PolarHBondContact O-N 3.18Å
69	Y	98	Very high	93.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131	-178.6	-60.4	-93.1	0	0	0	110.3	I61 P63 T64 L67 L83 P105 D106 V107 T108 V151	I61-Y69 HydrophobicContact CG2-CE1 4Å; P63-Y69 WeakPolarHBondContact CA-OH 3.22Å; P63-Y69 HydrophobicContact CB-CE1 3.83Å; P63-Y69 HydrophobicContact CB-CE2 4.45Å; P63-Y69 WeakPolarHBondContact CB-OH 3.32Å; T64-Y69 PolarHBondContact N-OH 3.48Å; T64-Y69 WeakPolarHBondContact O-CE2 3.36Å; T64-Y69 PolarHBondContact O-OH 3.38Å; L67-Y69 HydrophobicContact CB-CE2 3.74Å; L67-Y69 WeakPolarHBondContact O-CD2 3.42Å; L67-Y69 VanDerWaalsContact O-CE2 3.27Å; L67-Y69 WeakPolarHBondContact O-CE2 3.2Å; Y69-L83 HydrophobicContact CD1-CD1 4.01Å; Y69-L83 HydrophobicContact CD1-CD2 4.12Å; Y69-L83 HydrophobicContact CE1-CD2 4.25Å; Y69-L83 HydrophobicContact CG-CD1 4.16Å; Y69-P105 HydrophobicContact CD2-CB 3.93Å; Y69-P105 HydrophobicContact CE2-CB 3.76Å; Y69-D106 PolarHBondContact N-O 3.1Å; Y69-V107 HydrophobicContact CD2-CG2 4.23Å; Y69-V107 HydrophobicContact CG-CG2 4.46Å; Y69-T108 PolarHBondContact O-N 3.28Å; Y69-V151 WeakPolarHBondContact CA-O 3.32Å; Y69-V151 HydrophobicContact CD1-CB 3.57Å; Y69-V151 HydrophobicContact CD1-CG1 3.81Å; Y69-V151 HydrophobicContact CD1-CG2 4.1Å; Y69-V151 HydrophobicContact CE1-CB 3.73Å; Y69-V151 HydrophobicContact CE1-CG1 3.97Å; Y69-V151 HydrophobicContact CE1-CG2 3.72Å; Y69-V151 HydrophobicContact CG-CB 4.43Å
70	L	98.8	Very high	93.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.4	165.8	179.4	63.3	0	0	0	109.2	V72 T108 C110 L142 F144 F149 V151 Y152 T153 V174	L70-V72 HydrophobicContact CD1-CG2 4.23Å; L70-V72 HydrophobicContact CD2-CG2 3.68Å; L70-V72 HydrophobicContact CG-CG2 3.6Å; L70-T108 CarbonylContact C-O 3.58Å; L70-T108 WeakPolarHBondContact CA-O 3.45Å; L70-T108 HydrophobicContact CD1-CG2 3.93Å; L70-C110 HydrophobicContact CD1-CB 3.81Å; L70-L142 HydrophobicContact CD2-CD1 4.16Å; L70-F144 HydrophobicContact CD1-CD2 4.22Å; L70-F144 HydrophobicContact CD1-CE2 3.47Å; L70-F144 VanDerWaalsContact CD1-CE2 3.47Å; L70-F144 HydrophobicContact CD1-CZ 3.78Å; L70-F144 HydrophobicContact CD2-CD2 3.82Å; L70-F144 HydrophobicContact CD2-CE2 3.81Å; L70-F144 HydrophobicContact CG-CE2 4.31Å; L70-F149 HydrophobicContact CB-CB 4.23Å; L70-F149 HydrophobicContact CB-CD1 3.65Å; L70-F149 HydrophobicContact CB-CD2 3.86Å; L70-F149 HydrophobicContact CB-CE1 3.88Å; L70-F149 HydrophobicContact CB-CE2 4.08Å; L70-F149 HydrophobicContact CB-CG 3.63Å; L70-F149 HydrophobicContact CB-CZ 4.09Å; L70-F149 HydrophobicContact CD1-CE1 4.29Å; L70-F149 HydrophobicContact CD1-CE2 4.18Å; L70-F149 HydrophobicContact CD1-CZ 3.91Å; L70-F149 HydrophobicContact CD2-CD2 3.88Å; L70-F149 HydrophobicContact CD2-CE2 3.81Å; L70-F149 HydrophobicContact CD2-CZ 4.37Å; L70-F149 HydrophobicContact CG-CD2 4.37Å; L70-F149 HydrophobicContact CG-CE2 4.24Å; L70-F149 HydrophobicContact CG-CZ 4.34Å; L70-V151 PolarHBondContact N-O 3.33Å; L70-Y152 HydrophobicContact CD2-CD2 3.87Å; L70-Y152 HydrophobicContact CD2-CE2 3.93Å; L70-Y152 HydrophobicContact CG-CD2 4.41Å; L70-Y152 CarbonylContact O-C 3.5Å; L70-Y152 WeakPolarHBondContact O-CA 3.44Å; L70-T153 PolarHBondContact O-N 3.27Å; L70-T153 PolarHBondContact O-OG1 2.84Å; L70-V174 HydrophobicContact CD2-CG2 3.91Å
71	D	98.7	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	96.4	175.5	-170.1	38.9	0	0	0	110.2	G74 I79 A80 T108 V109 C110 T153	D71-G74 WeakPolarHBondContact OD2-CA 3.41Å; D71-I79 WeakPolarHBondContact OD2-CB 3.33Å; D71-A80 PolarHBondContact OD2-N 3.24Å; D71-T108 PolarHBondContact N-O 3.38Å; D71-V109 HydrophobicContact CB-CG2 4.4Å; D71-V109 WeakPolarHBondContact O-CA 3.34Å; D71-C110 PolarHBondContact O-N 2.78Å; D71-T153 VanDerWaalsContact CA-OG1 3.29Å; D71-T153 WeakPolarHBondContact CA-OG1 3.22Å; D71-T153 WeakPolarHBondContact CB-OG1 3.5Å; D71-T153 PolarHBondContact OD1-OG1 3.41Å
72	V	98.8	Very high	93.6	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	140	-177.3	-177.2	0	0	0	0	111	L70 G74 C110 A139 L142 Y152 T153 I154	L70-V72 HydrophobicContact CD1-CG2 4.23Å; L70-V72 HydrophobicContact CD2-CG2 3.68Å; L70-V72 HydrophobicContact CG-CG2 3.6Å; V72-G74 PolarHBondContact O-N 3.13Å; V72-C110 CarbonylContact C-O 3.31Å; V72-C110 WeakPolarHBondContact CA-O 3.42Å; V72-C110 HydrophobicContact CG2-CB 4.4Å; V72-A139 HydrophobicContact CG1-CB 3.53Å; V72-L142 HydrophobicContact CG1-CD2 4.25Å; V72-L142 HydrophobicContact CG2-CD1 4.45Å; V72-L142 HydrophobicContact CG2-CD2 4.05Å; V72-Y152 HydrophobicContact CB-CE1 4.24Å; V72-Y152 HydrophobicContact CB-CE2 4.16Å; V72-Y152 VanDerWaalsContact CB-OH 3.28Å; V72-Y152 WeakPolarHBondContact CB-OH 3.2Å; V72-Y152 WeakPolarHBondContact CG1-OH 3.47Å; V72-Y152 HydrophobicContact CG2-CD2 4.15Å; V72-Y152 HydrophobicContact CG2-CE1 4.18Å; V72-Y152 HydrophobicContact CG2-CE2 3.3Å; V72-Y152 VanDerWaalsContact CG2-OH 3.28Å; V72-Y152 WeakPolarHBondContact CG2-OH 3.33Å; V72-T153 PolarHBondContact N-O 3.29Å; V72-I154 HydrophobicContact CB-CD1 4.34Å; V72-I154 HydrophobicContact CG1-CD1 4.12Å; V72-I154 WeakPolarHBondContact O-CA 3.43Å; V72-I154 WeakPolarHBondContact O-CG1 3.28Å
73	A	97.4	Very high	93.8	Very high	32 Å²	32	24 Å²	24	26%	0.264	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	34	-165.5	0	0	0	0	0	111.3	G75 C110 D111 I154	A73-G75 PolarHBondContact O-N 2.7Å; A73-C110 PolarHBondContact N-O 3.47Å; A73-D111 VanDerWaalsContact CA-OD2 3.24Å; A73-D111 WeakPolarHBondContact CA-OD2 3.29Å; A73-I154 HydrophobicContact CB-CD1 4.29Å; A73-I154 HydrophobicContact CB-CG1 4.31Å
74	G	96.7	Very high	93.8	Very high	11 Å²	11	24.1 Å²	24.1	11%	0.113	12%	0.123	C	C	.	.			trans	-69	-16.2	-177	0	0	0	0	0	113.2	D71 V72 T76 G77 D111	D71-G74 WeakPolarHBondContact OD2-CA 3.41Å; V72-G74 PolarHBondContact O-N 3.13Å; G74-T76 PolarHBondContact O-N 3.26Å; G74-G77 PolarHBondContact O-N 3.47Å; G74-D111 PolarHBondContact N-OD2 3.2Å
75	G	93	Very high	93.9	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	-109.1	169.2	0	0	0	0	0	113.7	A73 G77 D111 M116 W134	A73-G75 PolarHBondContact O-N 2.7Å; G75-G77 PolarHBondContact O-N 3.47Å; G75-D111 WeakPolarHBondContact CA-OD2 3.41Å; G75-D111 PolarHBondContact N-OD2 2.98Å; G75-M116 CarbonylContact C-O 3.54Å; G75-M116 CarbonylContact O-C 3.54Å; G75-M116 VanDerWaalsContact O-O 3.12Å; G75-W134 WeakPolarHBondContact O-CZ3 3.32Å
76	T	94	Very high	94.2	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	6.5	-179.1	61.5	0	0	0	0	114.1	Y38 D39 G74 F81 M116 V119 G120 R123	Y38-T76 HydrophobicContact CD1-CG2 4.34Å; D39-T76 PolarHBondContact OD1-OG1 3.24Å; D39-T76 PolarHBondContact OD2-OG1 3.42Å; G74-T76 PolarHBondContact O-N 3.26Å; T76-F81 VanDerWaalsContact O-CE2 3.29Å; T76-F81 WeakPolarHBondContact O-CE2 3.35Å; T76-M116 HydrophobicContact CG2-CE 3.91Å; T76-M116 HydrophobicContact CG2-SD 4.38Å; T76-V119 HydrophobicContact CG2-CB 4.12Å; T76-V119 HydrophobicContact CG2-CG1 3.7Å; T76-G120 WeakPolarHBondContact O-CA 3.49Å; T76-R123 PolarHBondContact O-NH1 3.41Å; T76-R123 PolarHBondContact OG1-NH1 2.68Å
77	G	95.2	Very high	94.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	9.3	174.1	0	0	0	0	0	115.3	G74 G75 I79 A80 F81	G74-G77 PolarHBondContact O-N 3.47Å; G75-G77 PolarHBondContact O-N 3.47Å; G77-I79 VanDerWaalsContact C-N 3.34Å; G77-I79 PolarHBondContact O-N 3.16Å; G77-A80 PolarHBondContact O-N 3.39Å; G77-F81 WeakPolarHBondContact O-CD2 3.42Å; G77-F81 WeakPolarHBondContact O-CG 2.96Å; G77-F81 PolarHBondContact O-N 3.22Å
78	D	94.5	Very high	93.6	Very high	20 Å²	20	15.7 Å²	15.7	11%	0.107	8%	0.078	C	C	.	.	H	α-helix	trans	-62	-37.4	-168	-161.2	56	0	0	0	113.7	K54 R82 R123	K54-D78 WeakPolarHBondContact CD-OD2 3.27Å; K54-D78 WeakPolarHBondContact CE-OD2 3.29Å; K54-D78 IonicContact NZ-OD2 3.93Å; K54-D78 PolarHBondContact NZ-OD2 3.06Å; D78-R82 WeakPolarHBondContact O-CD 3.3Å; D78-R82 VanDerWaalsContact O-CG 3.24Å; D78-R82 WeakPolarHBondContact O-CG 3.39Å; D78-R82 PolarHBondContact O-N 2.92Å; D78-R82 IonicContact OD1-NE 3.62Å; D78-R82 IonicContact OD1-NH2 3.77Å; D78-R82 IonicContact OD2-CZ 2.76Å; D78-R82 IonicContact OD2-NE 2.82Å; D78-R82 PolarHBondContact OD2-NE 3.35Å; D78-R82 IonicContact OD2-NH2 3.63Å; D78-R82 PolarHBondContact OD2-NH2 3.49Å; D78-R123 IonicContact OD1-NH2 3.05Å; D78-R123 PolarHBondContact OD1-NH2 3.11Å
79	I	97.2	Very high	92.9	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-74.1	-47.3	174.9	-61.7	-53.5	0	0	0	110.4	K54 F57 V58 D71 G77 F81 R82 L83 A155	K54-I79 HydrophobicContact CB-CD1 3.95Å; K54-I79 HydrophobicContact CD-CD1 4.13Å; K54-I79 HydrophobicContact CG-CD1 3.9Å; F57-I79 HydrophobicContact CD1-CD1 3.92Å; F57-I79 HydrophobicContact CE1-CD1 4.3Å; F57-I79 HydrophobicContact CE1-CG1 4.5Å; F57-I79 HydrophobicContact CE1-CG2 4.16Å; V58-I79 HydrophobicContact CG2-CG2 4.29Å; D71-I79 WeakPolarHBondContact OD2-CB 3.33Å; G77-I79 VanDerWaalsContact C-N 3.34Å; G77-I79 PolarHBondContact O-N 3.16Å; I79-F81 VanDerWaalsContact C-N 3.29Å; I79-F81 PolarHBondContact O-N 2.91Å; I79-R82 PolarHBondContact O-N 3.41Å; I79-L83 HydrophobicContact CG2-CD1 4.11Å; I79-L83 HydrophobicContact CG2-CG 4.2Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 3.1Å; I79-A155 HydrophobicContact CD1-CB 4.04Å; I79-A155 HydrophobicContact CG1-CB 3.64Å
80	A	96.3	Very high	91.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-50.9	-45.9	175.1	0	0	0	0	0	113.3	D71 G77 R82 L83 I84 V107 V109 I132	D71-A80 PolarHBondContact OD2-N 3.24Å; G77-A80 PolarHBondContact O-N 3.39Å; A80-R82 PolarHBondContact O-N 2.68Å; A80-L83 PolarHBondContact O-N 2.98Å; A80-I84 WeakPolarHBondContact O-CG1 3.28Å; A80-I84 PolarHBondContact O-N 2.9Å; A80-I84 VanDerWaalsContact O-N 3.12Å; A80-V107 HydrophobicContact CB-CG1 3.66Å; A80-V109 HydrophobicContact CB-CG2 3.48Å; A80-V109 VanDerWaalsContact CB-CG2 3.48Å; A80-I132 HydrophobicContact CB-CD1 4.33Å
81	F	95	Very high	90.7	Very high	6 Å²	6	26 Å²	26	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-42	177	-57.7	-27.4	0	0	0	112.1	T76 G77 I79 I84 K85 R123 A124 L127 F129 I132 W134	T76-F81 VanDerWaalsContact O-CE2 3.29Å; T76-F81 WeakPolarHBondContact O-CE2 3.35Å; G77-F81 WeakPolarHBondContact O-CD2 3.42Å; G77-F81 WeakPolarHBondContact O-CG 2.96Å; G77-F81 PolarHBondContact O-N 3.22Å; I79-F81 VanDerWaalsContact C-N 3.29Å; I79-F81 PolarHBondContact O-N 2.91Å; F81-I84 PolarHBondContact O-N 3.19Å; F81-K85 WeakPolarHBondContact O-CB 3.25Å; F81-K85 VanDerWaalsContact O-CG 3.31Å; F81-K85 WeakPolarHBondContact O-CG 3.27Å; F81-K85 PolarHBondContact O-N 3.46Å; F81-R123 HydrophobicContact CE2-CB 3.8Å; F81-R123 HydrophobicContact CZ-CB 3.93Å; F81-A124 HydrophobicContact CE1-CB 3.71Å; F81-A124 HydrophobicContact CZ-CB 3.95Å; F81-L127 HydrophobicContact CD2-CD1 4.07Å; F81-L127 HydrophobicContact CE2-CD1 4.27Å; F81-L127 HydrophobicContact CG-CD1 4.42Å; F81-F129 HydrophobicContact CB-CD2 4.32Å; F81-F129 HydrophobicContact CB-CE2 3.78Å; F81-F129 AromaticContact CD1-CD2 3.32Å; F81-F129 HydrophobicContact CD1-CD2 3.32Å; F81-F129 AromaticContact CD1-CE2 3.7Å; F81-F129 HydrophobicContact CD1-CE2 3.7Å; F81-F129 HydrophobicContact CD1-CG 4.25Å; F81-F129 AromaticContact CE1-CD2 3.81Å; F81-F129 HydrophobicContact CE1-CD2 3.81Å; F81-F129 AromaticContact CG-CD2 3.93Å; F81-F129 HydrophobicContact CG-CD2 3.93Å; F81-F129 AromaticContact CG-CE2 3.82Å; F81-F129 HydrophobicContact CG-CE2 3.82Å; F81-I132 HydrophobicContact CD1-CD1 3.55Å; F81-I132 HydrophobicContact CE1-CD1 3.41Å; F81-I132 VanDerWaalsContact CE1-CD1 3.41Å; F81-W134 HydrophobicContact CE1-CZ2 4.34Å; F81-W134 HydrophobicContact CZ-CH2 4.45Å; F81-W134 HydrophobicContact CZ-CZ2 4.43Å
82	R	93.9	Very high	89.4	Confident	32 Å²	32	29.1 Å²	29.1	12%	0.121	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-38.7	177.3	-71.3	171.3	-162.3	-84	-0.4	111.8	R51 D55 V58 D78 I79 A80 I84 K85 Y86	R51-R82 PolarHBondContact O-NH1 3.25Å; D55-R82 IonicContact OD1-CZ 3.48Å; D55-R82 IonicContact OD1-NH1 3.19Å; D55-R82 PolarHBondContact OD1-NH1 3.28Å; D55-R82 IonicContact OD2-NH1 3.37Å; D55-R82 PolarHBondContact OD2-NH1 3.02Å; V58-R82 HydrophobicContact CB-CB 4.23Å; V58-R82 HydrophobicContact CG1-CB 4.21Å; V58-R82 HydrophobicContact CG2-CB 3.69Å; D78-R82 WeakPolarHBondContact O-CD 3.3Å; D78-R82 VanDerWaalsContact O-CG 3.24Å; D78-R82 WeakPolarHBondContact O-CG 3.39Å; D78-R82 PolarHBondContact O-N 2.92Å; D78-R82 IonicContact OD1-NE 3.62Å; D78-R82 IonicContact OD1-NH2 3.77Å; D78-R82 IonicContact OD2-CZ 2.76Å; D78-R82 IonicContact OD2-NE 2.82Å; D78-R82 PolarHBondContact OD2-NE 3.35Å; D78-R82 IonicContact OD2-NH2 3.63Å; D78-R82 PolarHBondContact OD2-NH2 3.49Å; I79-R82 PolarHBondContact O-N 3.41Å; A80-R82 PolarHBondContact O-N 2.68Å; R82-I84 VanDerWaalsContact C-N 3.35Å; R82-I84 PolarHBondContact O-N 3.25Å; R82-K85 PolarHBondContact O-N 3.24Å; R82-Y86 WeakPolarHBondContact O-CB 3.39Å; R82-Y86 PolarHBondContact O-N 3.04Å
83	L	93.2	Very high	87.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-47.7	174.5	-67.6	170.6	0	0	0	110.9	V58 I61 P63 Y69 I79 A80 A87 V107	V58-L83 HydrophobicContact CG1-CD2 4.21Å; V58-L83 HydrophobicContact CG2-CD2 4.32Å; I61-L83 HydrophobicContact CD1-CD2 4.22Å; I61-L83 HydrophobicContact CG2-CD2 4.22Å; P63-L83 HydrophobicContact CB-CD2 3.77Å; P63-L83 HydrophobicContact CG-CD2 3.9Å; Y69-L83 HydrophobicContact CD1-CD1 4.01Å; Y69-L83 HydrophobicContact CD1-CD2 4.12Å; Y69-L83 HydrophobicContact CE1-CD2 4.25Å; Y69-L83 HydrophobicContact CG-CD1 4.16Å; I79-L83 HydrophobicContact CG2-CD1 4.11Å; I79-L83 HydrophobicContact CG2-CG 4.2Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 3.1Å; A80-L83 PolarHBondContact O-N 2.98Å; L83-A87 WeakPolarHBondContact O-CB 3.3Å; L83-A87 PolarHBondContact O-N 3.41Å; L83-V107 HydrophobicContact CB-CG2 4.45Å; L83-V107 HydrophobicContact CD1-CG1 4.43Å
84	I	89.8	Confident	86.1	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-46.7	178.4	-66.5	163.8	0	0	0	111.4	A80 F81 R82 Y86 A87 K88 P105 V107 F129 I132	A80-I84 WeakPolarHBondContact O-CG1 3.28Å; A80-I84 PolarHBondContact O-N 2.9Å; A80-I84 VanDerWaalsContact O-N 3.12Å; F81-I84 PolarHBondContact O-N 3.19Å; R82-I84 VanDerWaalsContact C-N 3.35Å; R82-I84 PolarHBondContact O-N 3.25Å; I84-Y86 VanDerWaalsContact C-N 3.33Å; I84-Y86 PolarHBondContact O-N 3.37Å; I84-A87 PolarHBondContact O-N 2.84Å; I84-K88 PolarHBondContact O-N 3.29Å; I84-P105 HydrophobicContact CB-CG 4.34Å; I84-P105 HydrophobicContact CG1-CG 3.81Å; I84-V107 HydrophobicContact CD1-CG2 4.49Å; I84-V107 HydrophobicContact CG1-CG2 4.08Å; I84-F129 HydrophobicContact CB-CD1 4.48Å; I84-F129 HydrophobicContact CB-CE1 4.26Å; I84-F129 HydrophobicContact CD1-CD1 4.34Å; I84-F129 HydrophobicContact CD1-CG 4.47Å; I84-F129 HydrophobicContact CG2-CD1 3.78Å; I84-F129 HydrophobicContact CG2-CE1 3.58Å; I84-F129 HydrophobicContact CG2-CZ 4.47Å; I84-I132 HydrophobicContact CD1-CD1 3.65Å; I84-I132 HydrophobicContact CD1-CG1 3.42Å; I84-I132 VanDerWaalsContact CD1-CG1 3.42Å
85	K	88.8	Confident	84.5	Confident	72 Å²	72	37.7 Å²	37.7	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-41.2	179.1	-73.6	-175.6	-179.4	-150.6	0	112.2	F81 R82 K88 H89 E95 F129	F81-K85 WeakPolarHBondContact O-CB 3.25Å; F81-K85 VanDerWaalsContact O-CG 3.31Å; F81-K85 WeakPolarHBondContact O-CG 3.27Å; F81-K85 PolarHBondContact O-N 3.46Å; R82-K85 PolarHBondContact O-N 3.24Å; K85-K88 WeakPolarHBondContact O-CB 3.22Å; K85-K88 PolarHBondContact O-N 2.85Å; K85-H89 WeakPolarHBondContact O-CB 3.27Å; K85-H89 PolarHBondContact O-N 3.1Å; K85-E95 WeakPolarHBondContact CE-OE1 3.41Å; K85-E95 IonicContact NZ-OE1 3.92Å; K85-E95 PolarHBondContact NZ-OE1 3.08Å; K85-F129 HydrophobicContact CD-CZ 4.43Å; K85-F129 HydrophobicContact CG-CZ 3.83Å
86	Y	87.9	Confident	82.9	Confident	60 Å²	60	44.2 Å²	44.2	24%	0.235	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-46.8	175.8	-172.8	-77	0	0	0	111	V58 N59 P63 R82 I84 K88 H89 I90	V58-Y86 HydrophobicContact CG1-CD2 4.43Å; V58-Y86 HydrophobicContact CG1-CG 4.39Å; N59-Y86 VanDerWaalsContact OD1-CD2 3.31Å; N59-Y86 WeakPolarHBondContact OD1-CD2 3.48Å; N59-Y86 WeakPolarHBondContact OD1-CE2 3.17Å; P63-Y86 VanDerWaalsContact CD-CD1 3.42Å; P63-Y86 HydrophobicContact CG-CD1 3.45Å; P63-Y86 VanDerWaalsContact CG-CD1 3.45Å; P63-Y86 HydrophobicContact CG-CE1 4.23Å; P63-Y86 HydrophobicContact CG-CG 3.74Å; R82-Y86 WeakPolarHBondContact O-CB 3.39Å; R82-Y86 PolarHBondContact O-N 3.04Å; I84-Y86 VanDerWaalsContact C-N 3.33Å; I84-Y86 PolarHBondContact O-N 3.37Å; Y86-K88 VanDerWaalsContact C-N 3.34Å; Y86-K88 PolarHBondContact O-N 3.19Å; Y86-H89 PolarHBondContact O-N 2.85Å; Y86-H89 VanDerWaalsContact O-N 3.17Å; Y86-I90 HydrophobicContact CD1-CD1 4.44Å; Y86-I90 HydrophobicContact CD1-CG2 3.93Å; Y86-I90 HydrophobicContact CE1-CD1 4.32Å; Y86-I90 HydrophobicContact CE1-CG2 3.53Å; Y86-I90 PolarHBondContact O-N 2.8Å
87	A	83.3	Confident	81.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-40.3	176.9	0	0	0	0	0	112.4	L83 I84 I90 N91 P105	L83-A87 WeakPolarHBondContact O-CB 3.3Å; L83-A87 PolarHBondContact O-N 3.41Å; I84-A87 PolarHBondContact O-N 2.84Å; A87-I90 VanDerWaalsContact O-CG1 3.24Å; A87-I90 WeakPolarHBondContact O-CG1 3.49Å; A87-N91 WeakPolarHBondContact O-CB 3.37Å; A87-N91 PolarHBondContact O-N 3.48Å; A87-N91 PolarHBondContact O-ND2 3.37Å; A87-P105 HydrophobicContact CB-CB 4.42Å; A87-P105 HydrophobicContact CB-CG 3.72Å
88	K	79.1	Confident	79.4	Confident	5 Å²	5	51.6 Å²	51.6	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-56.9	-50.5	171.6	-79.2	-172.4	-176.5	-167	0	111.6	I84 K85 Y86 I90 N91 G92 V93 E95 I97 M99	I84-K88 PolarHBondContact O-N 3.29Å; K85-K88 WeakPolarHBondContact O-CB 3.22Å; K85-K88 PolarHBondContact O-N 2.85Å; Y86-K88 VanDerWaalsContact C-N 3.34Å; Y86-K88 PolarHBondContact O-N 3.19Å; K88-I90 PolarHBondContact O-N 2.97Å; K88-N91 CarbonylContact O-C 3Å; K88-N91 PolarHBondContact O-N 3.17Å; K88-G92 PolarHBondContact O-N 2.89Å; K88-V93 HydrophobicContact CB-CB 4.28Å; K88-V93 HydrophobicContact CG-CB 4.36Å; K88-V93 HydrophobicContact CG-CG1 4.38Å; K88-V93 PolarHBondContact O-N 2.73Å; K88-E95 PolarHBondContact NZ-O 2.99Å; K88-I97 WeakPolarHBondContact CE-O 3.24Å; K88-I97 PolarHBondContact NZ-O 3.15Å; K88-M99 HydrophobicContact CB-SD 4.21Å; K88-M99 HydrophobicContact CD-CG 4.26Å; K88-M99 HydrophobicContact CD-SD 4.43Å; K88-M99 HydrophobicContact CG-CE 4.25Å; K88-M99 HydrophobicContact CG-CG 3.6Å; K88-M99 HydrophobicContact CG-SD 3.29Å; K88-M99 WeakPolarHBondContact CG-SD 3.14Å
89	H	80.8	Confident	77.7	Confident	153 Å²	153	51 Å²	51	71%	0.708	28%	0.276	S	S	*	.	H	α-helix	trans	-61.1	-46.8	-176.7	-178.2	-84.6	0	0	0	112.1	K85 Y86 N91 G92	K85-H89 WeakPolarHBondContact O-CB 3.27Å; K85-H89 PolarHBondContact O-N 3.1Å; Y86-H89 PolarHBondContact O-N 2.85Å; Y86-H89 VanDerWaalsContact O-N 3.17Å; H89-N91 VanDerWaalsContact C-N 3.28Å; H89-N91 PolarHBondContact O-N 2.86Å; H89-G92 PolarHBondContact O-N 2.78Å
90	I	76.6	Confident	76	Confident	77 Å²	77	58.2 Å²	58.2	40%	0.395	31%	0.307	S	S	.	.	H	α-helix	trans	-68.1	-27.8	179.7	65	171.3	0	0	0	113	P63 Y86 A87 K88 G92	P63-I90 VanDerWaalsContact O-CD1 3.25Å; P63-I90 WeakPolarHBondContact O-CD1 3.26Å; Y86-I90 HydrophobicContact CD1-CD1 4.44Å; Y86-I90 HydrophobicContact CD1-CG2 3.93Å; Y86-I90 HydrophobicContact CE1-CD1 4.32Å; Y86-I90 HydrophobicContact CE1-CG2 3.53Å; Y86-I90 PolarHBondContact O-N 2.8Å; A87-I90 VanDerWaalsContact O-CG1 3.24Å; A87-I90 WeakPolarHBondContact O-CG1 3.49Å; K88-I90 PolarHBondContact O-N 2.97Å; I90-G92 VanDerWaalsContact C-N 3.29Å
91	N	73.8	Confident	74	Confident	62 Å²	62	63.8 Å²	63.8	33%	0.332	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.6	177.4	-76.4	-23.3	0	0	0	113.1	D65 A87 K88 H89 V93 M99	D65-N91 VanDerWaalsContact CG-ND2 3.33Å; D65-N91 PolarHBondContact OD2-ND2 2.79Å; A87-N91 WeakPolarHBondContact O-CB 3.37Å; A87-N91 PolarHBondContact O-N 3.48Å; A87-N91 PolarHBondContact O-ND2 3.37Å; K88-N91 CarbonylContact O-C 3Å; K88-N91 PolarHBondContact O-N 3.17Å; H89-N91 VanDerWaalsContact C-N 3.28Å; H89-N91 PolarHBondContact O-N 2.86Å; N91-V93 HydrophobicContact CB-CG2 4.15Å; N91-V93 PolarHBondContact O-N 3.18Å; N91-M99 HydrophobicContact CB-CE 3.87Å; N91-M99 WeakPolarHBondContact ND2-CE 3.45Å
92	G	71.9	Confident	72.1	Confident	66 Å²	66	71.5 Å²	71.5	68%	0.68	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	20.9	-179.3	0	0	0	0	0	113.9	K88 H89 I90	K88-G92 PolarHBondContact O-N 2.89Å; H89-G92 PolarHBondContact O-N 2.78Å; I90-G92 VanDerWaalsContact C-N 3.29Å
93	V	65.2	Low	70.7	Confident	27 Å²	27	73.7 Å²	73.7	16%	0.164	40%	0.396	C	S	.	.			trans	-85.4	123.2	177.3	-178.6	0	0	0	0	108.7	K88 N91 M99 M103	K88-V93 HydrophobicContact CB-CB 4.28Å; K88-V93 HydrophobicContact CG-CB 4.36Å; K88-V93 HydrophobicContact CG-CG1 4.38Å; K88-V93 PolarHBondContact O-N 2.73Å; N91-V93 HydrophobicContact CB-CG2 4.15Å; N91-V93 PolarHBondContact O-N 3.18Å; V93-M99 HydrophobicContact CB-CE 4.34Å; V93-M99 HydrophobicContact CB-CG 4.32Å; V93-M99 HydrophobicContact CG1-CG 3.93Å; V93-M99 HydrophobicContact CG2-CE 3.79Å; V93-M99 HydrophobicContact CG2-CG 4.26Å; V93-M103 HydrophobicContact CG2-CE 4.42Å
94	P	62.3	Low	69.6	Low	71 Å²	71	74 Å²	74	46%	0.461	40%	0.4	S	S	.	.			trans	-57	141.9	176.3	-24.4	34	0	0	0	112	V96 I97	P94-V96 HydrophobicContact CB-CG2 4.47Å; P94-V96 PolarHBondContact O-N 2.8Å; P94-V96 VanDerWaalsContact O-N 3.14Å; P94-I97 HydrophobicContact CB-CD1 4.15Å; P94-I97 HydrophobicContact CB-CG1 4.22Å; P94-I97 HydrophobicContact CG-CD1 3.89Å; P94-I97 HydrophobicContact CG-CG1 4.48Å; P94-I97 PolarHBondContact O-N 3.31Å
95	E	61.7	Low	69.1	Low	127 Å²	127	74 Å²	74	59%	0.593	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.4	-174.4	-169.5	174.9	-171.6	0	0	113	K85 K88 I97	K85-E95 WeakPolarHBondContact CE-OE1 3.41Å; K85-E95 IonicContact NZ-OE1 3.92Å; K85-E95 PolarHBondContact NZ-OE1 3.08Å; K88-E95 PolarHBondContact NZ-O 2.99Å; E95-I97 VanDerWaalsContact C-N 3.32Å; E95-I97 PolarHBondContact O-N 3.19Å
96	V	59.5	Low	69.2	Low	140 Å²	140	72.9 Å²	72.9	85%	0.848	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.4	-177.3	-60.7	0	0	0	0	114.8	P94	P94-V96 HydrophobicContact CB-CG2 4.47Å; P94-V96 PolarHBondContact O-N 2.8Å; P94-V96 VanDerWaalsContact O-N 3.14Å
97	I	59.2	Low	69.6	Low	94 Å²	94	70 Å²	70	48%	0.482	39%	0.385	S	S	.	.	S	Bend	trans	-98.3	127.3	179.9	-58.9	-179.4	0	0	0	108.1	K88 P94 E95 M99	K88-I97 WeakPolarHBondContact CE-O 3.24Å; K88-I97 PolarHBondContact NZ-O 3.15Å; P94-I97 HydrophobicContact CB-CD1 4.15Å; P94-I97 HydrophobicContact CB-CG1 4.22Å; P94-I97 HydrophobicContact CG-CD1 3.89Å; P94-I97 HydrophobicContact CG-CG1 4.48Å; P94-I97 PolarHBondContact O-N 3.31Å; E95-I97 VanDerWaalsContact C-N 3.32Å; E95-I97 PolarHBondContact O-N 3.19Å; I97-M99 PolarHBondContact O-N 2.83Å
98	D	58.5	Low	70.3	Confident	65 Å²	65	70.1 Å²	70.1	35%	0.348	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64	136.7	173	-161.7	10.2	0	0	0	109.9	K100 S130	D98-K100 PolarHBondContact O-N 2.8Å; D98-S130 PolarHBondContact OD2-OG 3.42Å
99	M	57.6	Low	71.3	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.03	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-71.1	134.3	175.8	-85.4	177.7	121.5	0	0	107.9	K88 N91 V93 I97 M103 A104	K88-M99 HydrophobicContact CB-SD 4.21Å; K88-M99 HydrophobicContact CD-CG 4.26Å; K88-M99 HydrophobicContact CD-SD 4.43Å; K88-M99 HydrophobicContact CG-CE 4.25Å; K88-M99 HydrophobicContact CG-CG 3.6Å; K88-M99 HydrophobicContact CG-SD 3.29Å; K88-M99 WeakPolarHBondContact CG-SD 3.14Å; N91-M99 HydrophobicContact CB-CE 3.87Å; N91-M99 WeakPolarHBondContact ND2-CE 3.45Å; V93-M99 HydrophobicContact CB-CE 4.34Å; V93-M99 HydrophobicContact CB-CG 4.32Å; V93-M99 HydrophobicContact CG1-CG 3.93Å; V93-M99 HydrophobicContact CG2-CE 3.79Å; V93-M99 HydrophobicContact CG2-CG 4.26Å; I97-M99 PolarHBondContact O-N 2.83Å; M99-M103 HydrophobicContact CE-CB 4.09Å; M99-M103 WeakPolarHBondContact CE-O 3.38Å; M99-A104 HydrophobicContact CB-CB 3.8Å; M99-A104 HydrophobicContact SD-CB 4.41Å
100	K	60.9	Low	72.1	Confident	159 Å²	159	62.6 Å²	62.6	69%	0.691	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-52.7	141.3	166.3	-70.5	-177.1	-179.8	178.7	0	107.7	D98 L102 M103 A104	D98-K100 PolarHBondContact O-N 2.8Å; K100-L102 PolarHBondContact O-N 2.81Å; K100-M103 WeakPolarHBondContact O-CA 3.27Å; K100-M103 PolarHBondContact O-N 2.99Å; K100-A104 PolarHBondContact O-N 3.1Å
101	P	55.4	Low	73.2	Confident	116 Å²	116	59.6 Å²	59.6	75%	0.753	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-51.5	-30.9	-175.6	-29.6	34	0	0	0	114.3	M103	P101-M103 PolarHBondContact O-N 3.46Å
102	L	55	Low	74.2	Confident	168 Å²	168	58.8 Å²	58.8	88%	0.88	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-73.2	-5.2	176.9	-66.7	171	0	0	0	114.9	K100	K100-L102 PolarHBondContact O-N 2.81Å
103	M	65	Low	75.3	Confident	78 Å²	78	55.9 Å²	55.9	38%	0.384	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-123.8	-7.2	-178.3	-58	-179.3	72	0	0	112.2	D65 V93 M99 K100 P101	D65-M103 WeakPolarHBondContact CB-O 3.44Å; V93-M103 HydrophobicContact CG2-CE 4.42Å; M99-M103 HydrophobicContact CE-CB 4.09Å; M99-M103 WeakPolarHBondContact CE-O 3.38Å; K100-M103 WeakPolarHBondContact O-CA 3.27Å; K100-M103 PolarHBondContact O-N 2.99Å; P101-M103 PolarHBondContact O-N 3.46Å
104	A	69.7	Low	76.7	Confident	8 Å²	8	57.4 Å²	57.4	7%	0.066	31%	0.311	C	S	.	.	S	Bend	trans	-87.1	144.3	176	0	0	0	0	0	109.9	M99 K100 D106	M99-A104 HydrophobicContact CB-CB 3.8Å; M99-A104 HydrophobicContact SD-CB 4.41Å; K100-A104 PolarHBondContact O-N 3.1Å; A104-D106 PolarHBondContact O-N 3.22Å
105	P	79.8	Confident	78.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	30%	0.298	C	S	.	.			trans	-60.1	138.4	168.1	26.2	-31.5	0	0	0	109.7	Y69 I84 A87 V107	Y69-P105 HydrophobicContact CD2-CB 3.93Å; Y69-P105 HydrophobicContact CE2-CB 3.76Å; I84-P105 HydrophobicContact CB-CG 4.34Å; I84-P105 HydrophobicContact CG1-CG 3.81Å; A87-P105 HydrophobicContact CB-CB 4.42Å; A87-P105 HydrophobicContact CB-CG 3.72Å; P105-V107 HydrophobicContact CB-CG2 3.99Å; P105-V107 HydrophobicContact CG-CG2 4.04Å; P105-V107 PolarHBondContact O-N 2.98Å; P105-V107 VanDerWaalsContact O-N 3.14Å
106	D	91	Very high	79.7	Confident	47 Å²	47	49.5 Å²	49.5	25%	0.251	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	98.5	175.2	-177	-3.6	0	0	0	107.8	K68 Y69 A104	K68-D106 CarbonylContact C-O 3.59Å; K68-D106 WeakPolarHBondContact CA-O 3.48Å; K68-D106 WeakPolarHBondContact CE-OD2 3.44Å; K68-D106 HydrophobicContact CG-CB 4.12Å; K68-D106 IonicContact NZ-OD2 3.95Å; K68-D106 PolarHBondContact NZ-OD2 3.35Å; Y69-D106 PolarHBondContact N-O 3.1Å; A104-D106 PolarHBondContact O-N 3.22Å
107	V	96.1	Very high	81.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.8	-174.6	-175.2	0	0	0	0	110.3	Y69 A80 L83 I84 P105 Q133	Y69-V107 HydrophobicContact CD2-CG2 4.23Å; Y69-V107 HydrophobicContact CG-CG2 4.46Å; A80-V107 HydrophobicContact CB-CG1 3.66Å; L83-V107 HydrophobicContact CB-CG2 4.45Å; L83-V107 HydrophobicContact CD1-CG1 4.43Å; I84-V107 HydrophobicContact CD1-CG2 4.49Å; I84-V107 HydrophobicContact CG1-CG2 4.08Å; P105-V107 HydrophobicContact CB-CG2 3.99Å; P105-V107 HydrophobicContact CG-CG2 4.04Å; P105-V107 PolarHBondContact O-N 2.98Å; P105-V107 VanDerWaalsContact O-N 3.14Å; V107-Q133 PolarHBondContact O-N 3.37Å
108	T	98.3	Very high	83.1	Confident	3 Å²	3	45 Å²	45	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.4	169.7	-58.6	0	0	0	0	109.5	Y69 L70 D71 Q133 I135 F144 F149	Y69-T108 PolarHBondContact O-N 3.28Å; L70-T108 CarbonylContact C-O 3.58Å; L70-T108 WeakPolarHBondContact CA-O 3.45Å; L70-T108 HydrophobicContact CD1-CG2 3.93Å; D71-T108 PolarHBondContact N-O 3.38Å; T108-Q133 CarbonylContact C-O 3.29Å; T108-Q133 WeakPolarHBondContact CA-O 3.25Å; T108-Q133 HydrophobicContact CG2-CB 4.24Å; T108-Q133 PolarHBondContact OG1-OE1 3.37Å; T108-I135 HydrophobicContact CG2-CB 4.48Å; T108-I135 HydrophobicContact CG2-CG1 3.85Å; T108-F144 HydrophobicContact CG2-CE1 4.19Å; T108-F144 HydrophobicContact CG2-CZ 3.95Å; T108-F149 HydrophobicContact CG2-CZ 4.44Å
109	V	98.7	Very high	84.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.5	167.1	175.3	0	0	0	0	108.6	D71 A80 I132 Q133 W134 I135	D71-V109 HydrophobicContact CB-CG2 4.4Å; D71-V109 WeakPolarHBondContact O-CA 3.34Å; A80-V109 HydrophobicContact CB-CG2 3.48Å; A80-V109 VanDerWaalsContact CB-CG2 3.48Å; V109-I132 HydrophobicContact CB-CG2 4.4Å; V109-I132 HydrophobicContact CG2-CG2 3.78Å; V109-Q133 PolarHBondContact N-O 3.35Å; V109-W134 HydrophobicContact CB-CD2 4.27Å; V109-W134 HydrophobicContact CB-CE3 3.71Å; V109-W134 HydrophobicContact CB-CZ3 3.87Å; V109-W134 HydrophobicContact CG1-CE3 3.65Å; V109-W134 HydrophobicContact CG1-CH2 4.49Å; V109-W134 HydrophobicContact CG1-CZ3 3.56Å; V109-W134 HydrophobicContact CG2-CE3 4.28Å; V109-W134 HydrophobicContact CG2-CH2 4.24Å; V109-W134 HydrophobicContact CG2-CZ3 4.05Å; V109-I135 PolarHBondContact O-N 3.25Å
110	C	98.7	Very high	86.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.9	174.5	-174.3	0	0	0	0	110.3	L70 D71 V72 A73 I135 F144	L70-C110 HydrophobicContact CD1-CB 3.81Å; D71-C110 PolarHBondContact O-N 2.78Å; V72-C110 CarbonylContact C-O 3.31Å; V72-C110 WeakPolarHBondContact CA-O 3.42Å; V72-C110 HydrophobicContact CG2-CB 4.4Å; A73-C110 PolarHBondContact N-O 3.47Å; C110-I135 VanDerWaalsContact CA-O 3.25Å; C110-I135 WeakPolarHBondContact CA-O 3.33Å; C110-F144 HydrophobicContact CB-CE2 3.98Å; C110-F144 HydrophobicContact CB-CZ 4.08Å
111	D	98.2	Very high	88.3	Confident	13 Å²	13	40.5 Å²	40.5	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.5	179.5	-155.7	-68.4	0	0	0	111.4	A73 G74 G75 S113 M117 I135 E136 G137	A73-D111 VanDerWaalsContact CA-OD2 3.24Å; A73-D111 WeakPolarHBondContact CA-OD2 3.29Å; G74-D111 PolarHBondContact N-OD2 3.2Å; G75-D111 WeakPolarHBondContact CA-OD2 3.41Å; G75-D111 PolarHBondContact N-OD2 2.98Å; D111-S113 WeakPolarHBondContact OD1-CB 3.33Å; D111-S113 PolarHBondContact OD1-N 3.04Å; D111-M117 HydrophobicContact CB-CG 3.69Å; D111-M117 HydrophobicContact CB-SD 4.07Å; D111-I135 PolarHBondContact N-O 3.05Å; D111-I135 VanDerWaalsContact N-O 3.13Å; D111-E136 CarbonylContact O-C 3.49Å; D111-E136 VanDerWaalsContact O-CA 3.3Å; D111-E136 WeakPolarHBondContact O-CA 3.46Å; D111-G137 CarbonylContact C-O 3.51Å; D111-G137 VanDerWaalsContact C-O 3.29Å; D111-G137 PolarHBondContact O-N 3.15Å
112	I	96.5	Very high	90.2	Very high	45 Å²	45	37.6 Å²	37.6	23%	0.231	21%	0.205	C	C	.	.	S	Bend	trans	-85.5	-13.8	177.5	-166.6	155.7	0	0	0	112.5	Q24 P114 G137 N138	Q24-I112 HydrophobicContact CG-CD1 3.99Å; I112-P114 VanDerWaalsContact O-CD 3.3Å; I112-P114 WeakPolarHBondContact O-CD 3.24Å; I112-G137 WeakPolarHBondContact CA-O 3.32Å; I112-G137 PolarHBondContact N-O 3.15Å; I112-N138 HydrophobicContact CD1-CB 3.88Å
113	S	95.1	Very high	92.1	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.042	17%	0.173	C	C	.	.			trans	-104.1	105.5	-177.1	179.6	0	0	0	0	111	D111 S115 M116 M117	D111-S113 WeakPolarHBondContact OD1-CB 3.33Å; D111-S113 PolarHBondContact OD1-N 3.04Å; S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 3.04Å; S113-S115 PolarHBondContact OG-OG 3.24Å; S113-M116 PolarHBondContact O-N 3.11Å; S113-M116 VanDerWaalsContact O-N 3.16Å; S113-M116 WeakPolarHBondContact OG-CG 2.89Å; S113-M116 PolarHBondContact OG-N 2.79Å; S113-M117 PolarHBondContact O-N 3.49Å; S113-M117 VanDerWaalsContact O-N 3.15Å
114	P	94	Very high	93.5	Very high	58 Å²	58	28.6 Å²	28.6	38%	0.377	16%	0.156	S	C	.	.	H	α-helix	trans	-55.5	-40.4	173.3	-27.3	35.6	0	0	0	112.6	I112 M116 M117 E118	I112-P114 VanDerWaalsContact O-CD 3.3Å; I112-P114 WeakPolarHBondContact O-CD 3.24Å; P114-M116 VanDerWaalsContact C-N 3.31Å; P114-M116 PolarHBondContact O-N 3.19Å; P114-M117 PolarHBondContact O-N 2.66Å; P114-E118 WeakPolarHBondContact O-CG 3.3Å; P114-E118 PolarHBondContact O-N 3.5Å
115	S	93.6	Very high	94.6	Very high	27 Å²	27	36.1 Å²	36.1	19%	0.189	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-35.8	179.2	53.2	0	0	0	0	113.3	S113 V119	S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 3.04Å; S113-S115 PolarHBondContact OG-OG 3.24Å; S115-V119 WeakPolarHBondContact O-CG2 3.5Å; S115-V119 PolarHBondContact O-N 2.87Å
116	M	93.6	Very high	95.2	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-70.8	-42.5	176	-68.4	-70.7	-73.8	0	0	110.8	F31 S35 Y38 G75 T76 S113 P114 E118 V119 G120	F31-M116 HydrophobicContact CD1-CE 4.43Å; F31-M116 HydrophobicContact CD1-SD 4.4Å; S35-M116 VanDerWaalsContact CA-SD 3.53Å; Y38-M116 HydrophobicContact CD1-CE 3.87Å; Y38-M116 HydrophobicContact CD2-CE 3.91Å; Y38-M116 HydrophobicContact CE1-CE 4.12Å; Y38-M116 HydrophobicContact CE2-CE 4.17Å; Y38-M116 HydrophobicContact CG-CE 3.76Å; Y38-M116 HydrophobicContact CG-SD 4.48Å; G75-M116 CarbonylContact C-O 3.54Å; G75-M116 CarbonylContact O-C 3.54Å; G75-M116 VanDerWaalsContact O-O 3.12Å; T76-M116 HydrophobicContact CG2-CE 3.91Å; T76-M116 HydrophobicContact CG2-SD 4.38Å; S113-M116 PolarHBondContact O-N 3.11Å; S113-M116 VanDerWaalsContact O-N 3.16Å; S113-M116 WeakPolarHBondContact OG-CG 2.89Å; S113-M116 PolarHBondContact OG-N 2.79Å; P114-M116 VanDerWaalsContact C-N 3.31Å; P114-M116 PolarHBondContact O-N 3.19Å; M116-E118 PolarHBondContact O-N 2.77Å; M116-V119 PolarHBondContact O-N 3.47Å; M116-G120 PolarHBondContact O-N 3.33Å
117	M	95.2	Very high	95	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-33.8	176.5	-69.4	-164.8	-70.5	0	0	113.1	D111 S113 P114 V119 G120 K121 W134 E136	D111-M117 HydrophobicContact CB-CG 3.69Å; D111-M117 HydrophobicContact CB-SD 4.07Å; S113-M117 PolarHBondContact O-N 3.49Å; S113-M117 VanDerWaalsContact O-N 3.15Å; P114-M117 PolarHBondContact O-N 2.66Å; M117-V119 VanDerWaalsContact C-N 3.35Å; M117-G120 CarbonylContact O-C 3.59Å; M117-G120 PolarHBondContact O-N 3.03Å; M117-K121 WeakPolarHBondContact O-CB 3.21Å; M117-K121 VanDerWaalsContact O-CG 3.27Å; M117-K121 WeakPolarHBondContact O-CG 3.38Å; M117-K121 PolarHBondContact O-N 2.99Å; M117-W134 HydrophobicContact CB-CE3 4.2Å; M117-W134 HydrophobicContact CG-CE3 4.17Å; M117-E136 HydrophobicContact CE-CB 3.71Å; M117-E136 HydrophobicContact CE-CG 3.97Å
118	E	95.1	Very high	94.5	Very high	133 Å²	133	47.2 Å²	47.2	62%	0.621	25%	0.252	S	S	*	.	H	α-helix	trans	-60.6	-45.3	174	-78.8	178	177.1	0	0	111.2	P114 M116 G120 K121 A122	P114-E118 WeakPolarHBondContact O-CG 3.3Å; P114-E118 PolarHBondContact O-N 3.5Å; M116-E118 PolarHBondContact O-N 2.77Å; E118-G120 VanDerWaalsContact C-N 3.31Å; E118-G120 PolarHBondContact O-N 3.38Å; E118-K121 PolarHBondContact O-N 3.45Å; E118-A122 PolarHBondContact O-N 3.21Å
119	V	94	Very high	93.9	Very high	39 Å²	39	47.7 Å²	47.7	24%	0.236	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-43.7	172.6	175.1	0	0	0	0	110.5	T76 S115 M116 M117 A122 R123	T76-V119 HydrophobicContact CG2-CB 4.12Å; T76-V119 HydrophobicContact CG2-CG1 3.7Å; S115-V119 WeakPolarHBondContact O-CG2 3.5Å; S115-V119 PolarHBondContact O-N 2.87Å; M116-V119 PolarHBondContact O-N 3.47Å; M117-V119 VanDerWaalsContact C-N 3.35Å; V119-A122 PolarHBondContact O-N 3.18Å; V119-R123 WeakPolarHBondContact O-CG 3.38Å; V119-R123 PolarHBondContact O-N 2.95Å
120	G	95.8	Very high	93	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-44.7	177.3	0	0	0	0	0	113.6	T76 M116 M117 E118 R123 A124 W134	T76-G120 WeakPolarHBondContact O-CA 3.49Å; M116-G120 PolarHBondContact O-N 3.33Å; M117-G120 CarbonylContact O-C 3.59Å; M117-G120 PolarHBondContact O-N 3.03Å; E118-G120 VanDerWaalsContact C-N 3.31Å; E118-G120 PolarHBondContact O-N 3.38Å; G120-R123 PolarHBondContact O-N 3.47Å; G120-A124 WeakPolarHBondContact O-CB 3.29Å; G120-A124 PolarHBondContact O-N 3.35Å; G120-W134 VanDerWaalsContact CA-CH2 3.47Å
121	K	96.6	Very high	92.3	Very high	96 Å²	96	53.8 Å²	53.8	42%	0.417	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-45	177.1	-73.9	169.4	-177.5	176.7	0	111.8	M117 E118 R123 A124 E125 W134	M117-K121 WeakPolarHBondContact O-CB 3.21Å; M117-K121 VanDerWaalsContact O-CG 3.27Å; M117-K121 WeakPolarHBondContact O-CG 3.38Å; M117-K121 PolarHBondContact O-N 2.99Å; E118-K121 PolarHBondContact O-N 3.45Å; K121-R123 VanDerWaalsContact C-N 3.34Å; K121-R123 PolarHBondContact O-N 2.99Å; K121-A124 WeakPolarHBondContact O-CB 3.5Å; K121-A124 PolarHBondContact O-N 2.97Å; K121-E125 PolarHBondContact O-N 2.96Å; K121-W134 HydrophobicContact CD-CB 4.49Å; K121-W134 HydrophobicContact CD-CG 4.32Å; K121-W134 HydrophobicContact CG-CB 4.41Å; K121-W134 HydrophobicContact CG-CD2 3.74Å; K121-W134 HydrophobicContact CG-CE3 4.35Å; K121-W134 HydrophobicContact CG-CG 3.73Å
122	A	95.4	Very high	92.1	Very high	55 Å²	55	53.8 Å²	53.8	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-61.6	-42.5	176.8	0	0	0	0	0	111.9	E118 V119 E125 E126	E118-A122 PolarHBondContact O-N 3.21Å; V119-A122 PolarHBondContact O-N 3.18Å; A122-E125 PolarHBondContact O-N 3.33Å; A122-E126 PolarHBondContact O-N 2.79Å
123	R	94.3	Very high	92.1	Very high	53 Å²	53	56.6 Å²	56.6	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-39.3	174.4	-72.3	178.1	63.9	-163.1	-12.3	112.2	D39 T76 D78 F81 V119 G120 K121 E125 E126 L127	D39-R123 IonicContact OD1-NH1 3.96Å; D39-R123 IonicContact OD2-CZ 3.56Å; D39-R123 IonicContact OD2-NH1 2.76Å; D39-R123 PolarHBondContact OD2-NH1 3.44Å; T76-R123 PolarHBondContact O-NH1 3.41Å; T76-R123 PolarHBondContact OG1-NH1 2.68Å; D78-R123 IonicContact OD1-NH2 3.05Å; D78-R123 PolarHBondContact OD1-NH2 3.11Å; F81-R123 HydrophobicContact CE2-CB 3.8Å; F81-R123 HydrophobicContact CZ-CB 3.93Å; V119-R123 WeakPolarHBondContact O-CG 3.38Å; V119-R123 PolarHBondContact O-N 2.95Å; G120-R123 PolarHBondContact O-N 3.47Å; K121-R123 VanDerWaalsContact C-N 3.34Å; K121-R123 PolarHBondContact O-N 2.99Å; R123-E125 VanDerWaalsContact C-N 3.34Å; R123-E126 PolarHBondContact O-N 3.37Å; R123-L127 WeakPolarHBondContact O-CB 3.38Å; R123-L127 VanDerWaalsContact O-CG 3.24Å; R123-L127 WeakPolarHBondContact O-CG 3.3Å; R123-L127 PolarHBondContact O-N 3.16Å
124	A	93.5	Very high	92.2	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.033	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-43.8	177.2	0	0	0	0	0	111	F81 G120 K121 L127 G128 F129 I132 W134	F81-A124 HydrophobicContact CE1-CB 3.71Å; F81-A124 HydrophobicContact CZ-CB 3.95Å; G120-A124 WeakPolarHBondContact O-CB 3.29Å; G120-A124 PolarHBondContact O-N 3.35Å; K121-A124 WeakPolarHBondContact O-CB 3.5Å; K121-A124 PolarHBondContact O-N 2.97Å; A124-L127 PolarHBondContact O-N 3.43Å; A124-G128 PolarHBondContact O-N 3.44Å; A124-F129 HydrophobicContact CB-CB 4.26Å; A124-F129 PolarHBondContact O-N 3.06Å; A124-I132 HydrophobicContact CB-CD1 4.43Å; A124-W134 HydrophobicContact CB-CZ2 4.02Å
125	E	93.2	Very high	92.4	Very high	165 Å²	165	58.4 Å²	58.4	77%	0.771	31%	0.311	S	S	*	.	H	α-helix	trans	-61.5	-47.9	175.3	-174.3	175.7	-169.5	0	0	111.7	K121 A122 R123 L127 G128	K121-E125 PolarHBondContact O-N 2.96Å; A122-E125 PolarHBondContact O-N 3.33Å; R123-E125 VanDerWaalsContact C-N 3.34Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 3.18Å; E125-G128 PolarHBondContact O-N 3.01Å; E125-G128 VanDerWaalsContact O-N 3.11Å
126	E	92	Very high	92.7	Very high	164 Å²	164	63.1 Å²	63.1	77%	0.766	33%	0.33	S	S	*	.	H	α-helix	trans	-59.9	-38.5	177.8	-174.6	-178.1	179.8	0	0	112.6	A122 R123 G128	A122-E126 PolarHBondContact O-N 2.79Å; R123-E126 PolarHBondContact O-N 3.37Å; E126-G128 VanDerWaalsContact C-N 3.32Å
127	L	87.6	Confident	92.8	Very high	80 Å²	80	63.3 Å²	63.3	42%	0.419	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.6	179.4	-64.9	172.7	0	0	0	113.5	F81 R123 A124 E125 F129	F81-L127 HydrophobicContact CD2-CD1 4.07Å; F81-L127 HydrophobicContact CE2-CD1 4.27Å; F81-L127 HydrophobicContact CG-CD1 4.42Å; R123-L127 WeakPolarHBondContact O-CB 3.38Å; R123-L127 VanDerWaalsContact O-CG 3.24Å; R123-L127 WeakPolarHBondContact O-CG 3.3Å; R123-L127 PolarHBondContact O-N 3.16Å; A124-L127 PolarHBondContact O-N 3.43Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 3.18Å; L127-F129 HydrophobicContact CB-CD2 3.64Å; L127-F129 HydrophobicContact CB-CE2 3.66Å; L127-F129 HydrophobicContact CB-CG 4.46Å; L127-F129 HydrophobicContact CB-CZ 4.48Å; L127-F129 HydrophobicContact CD1-CD2 4.2Å; L127-F129 HydrophobicContact CD1-CE2 3.83Å; L127-F129 HydrophobicContact CG-CE2 4.36Å
128	G	85.5	Confident	92.9	Very high	38 Å²	38	65.3 Å²	65.3	39%	0.392	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	26.2	-178.9	0	0	0	0	0	114.5	A124 E125 E126 S130	A124-G128 PolarHBondContact O-N 3.44Å; E125-G128 PolarHBondContact O-N 3.01Å; E125-G128 VanDerWaalsContact O-N 3.11Å; E126-G128 VanDerWaalsContact C-N 3.32Å; G128-S130 PolarHBondContact O-N 3.41Å
129	F	85.3	Confident	93.1	Very high	13 Å²	13	59.4 Å²	59.4	6%	0.057	32%	0.318	C	S	.	.			trans	-88.7	96.2	174	-63.4	-49.2	0	0	0	111	F81 I84 K85 A124 L127 I132	F81-F129 HydrophobicContact CB-CD2 4.32Å; F81-F129 HydrophobicContact CB-CE2 3.78Å; F81-F129 AromaticContact CD1-CD2 3.32Å; F81-F129 HydrophobicContact CD1-CD2 3.32Å; F81-F129 AromaticContact CD1-CE2 3.7Å; F81-F129 HydrophobicContact CD1-CE2 3.7Å; F81-F129 HydrophobicContact CD1-CG 4.25Å; F81-F129 AromaticContact CE1-CD2 3.81Å; F81-F129 HydrophobicContact CE1-CD2 3.81Å; F81-F129 AromaticContact CG-CD2 3.93Å; F81-F129 HydrophobicContact CG-CD2 3.93Å; F81-F129 AromaticContact CG-CE2 3.82Å; F81-F129 HydrophobicContact CG-CE2 3.82Å; I84-F129 HydrophobicContact CB-CD1 4.48Å; I84-F129 HydrophobicContact CB-CE1 4.26Å; I84-F129 HydrophobicContact CD1-CD1 4.34Å; I84-F129 HydrophobicContact CD1-CG 4.47Å; I84-F129 HydrophobicContact CG2-CD1 3.78Å; I84-F129 HydrophobicContact CG2-CE1 3.58Å; I84-F129 HydrophobicContact CG2-CZ 4.47Å; K85-F129 HydrophobicContact CD-CZ 4.43Å; K85-F129 HydrophobicContact CG-CZ 3.83Å; A124-F129 HydrophobicContact CB-CB 4.26Å; A124-F129 PolarHBondContact O-N 3.06Å; L127-F129 HydrophobicContact CB-CD2 3.64Å; L127-F129 HydrophobicContact CB-CE2 3.66Å; L127-F129 HydrophobicContact CB-CG 4.46Å; L127-F129 HydrophobicContact CB-CZ 4.48Å; L127-F129 HydrophobicContact CD1-CD2 4.2Å; L127-F129 HydrophobicContact CD1-CE2 3.83Å; L127-F129 HydrophobicContact CG-CE2 4.36Å; F129-I132 HydrophobicContact CB-CD1 3.89Å; F129-I132 HydrophobicContact CG-CD1 4.48Å
130	S	80.9	Confident	93.3	Very high	93 Å²	93	58.1 Å²	58.1	65%	0.65	31%	0.31	S	S	*	.			trans	-90.9	-16.3	-179	66.4	0	0	0	0	114.2	D98 G128	D98-S130 PolarHBondContact OD2-OG 3.42Å; G128-S130 PolarHBondContact O-N 3.41Å
131	S	83.9	Confident	93.4	Very high	34 Å²	34	63.5 Å²	63.5	24%	0.238	34%	0.339	C	S	.	.			trans	-87.3	-4.1	-171	66.2	0	0	0	0	115.7
132	I	93.3	Very high	93.5	Very high	14 Å²	14	59.2 Å²	59.2	7%	0.072	32%	0.32	C	S	.	.			trans	-81.1	126.8	-175.9	-60.1	166.4	0	0	0	110.2	A80 F81 I84 V109 A124 F129 W134	A80-I132 HydrophobicContact CB-CD1 4.33Å; F81-I132 HydrophobicContact CD1-CD1 3.55Å; F81-I132 HydrophobicContact CE1-CD1 3.41Å; F81-I132 VanDerWaalsContact CE1-CD1 3.41Å; I84-I132 HydrophobicContact CD1-CD1 3.65Å; I84-I132 HydrophobicContact CD1-CG1 3.42Å; I84-I132 VanDerWaalsContact CD1-CG1 3.42Å; V109-I132 HydrophobicContact CB-CG2 4.4Å; V109-I132 HydrophobicContact CG2-CG2 3.78Å; A124-I132 HydrophobicContact CB-CD1 4.43Å; F129-I132 HydrophobicContact CB-CD1 3.89Å; F129-I132 HydrophobicContact CG-CD1 4.48Å; I132-W134 HydrophobicContact CB-CZ2 4.49Å; I132-W134 HydrophobicContact CD1-CZ2 4.38Å; I132-W134 HydrophobicContact CG2-CD2 4.18Å; I132-W134 HydrophobicContact CG2-CG 4.44Å; I132-W134 HydrophobicContact CG2-CZ2 3.88Å; I132-W134 VanDerWaalsContact O-CD1 3.3Å
133	Q	96.4	Very high	93.6	Very high	104 Å²	104	60.1 Å²	60.1	49%	0.486	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.4	169.5	-61	-177.9	4.6	0	0	109.7	V107 T108 V109	V107-Q133 PolarHBondContact O-N 3.37Å; T108-Q133 CarbonylContact C-O 3.29Å; T108-Q133 WeakPolarHBondContact CA-O 3.25Å; T108-Q133 HydrophobicContact CG2-CB 4.24Å; T108-Q133 PolarHBondContact OG1-OE1 3.37Å; V109-Q133 PolarHBondContact N-O 3.35Å
134	W	98	Very high	93.8	Very high	44 Å²	44	59 Å²	59	17%	0.167	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.6	-179	-62.8	87	0	0	0	109.7	G75 F81 V109 M117 G120 K121 A124 I132	G75-W134 WeakPolarHBondContact O-CZ3 3.32Å; F81-W134 HydrophobicContact CE1-CZ2 4.34Å; F81-W134 HydrophobicContact CZ-CH2 4.45Å; F81-W134 HydrophobicContact CZ-CZ2 4.43Å; V109-W134 HydrophobicContact CB-CD2 4.27Å; V109-W134 HydrophobicContact CB-CE3 3.71Å; V109-W134 HydrophobicContact CB-CZ3 3.87Å; V109-W134 HydrophobicContact CG1-CE3 3.65Å; V109-W134 HydrophobicContact CG1-CH2 4.49Å; V109-W134 HydrophobicContact CG1-CZ3 3.56Å; V109-W134 HydrophobicContact CG2-CE3 4.28Å; V109-W134 HydrophobicContact CG2-CH2 4.24Å; V109-W134 HydrophobicContact CG2-CZ3 4.05Å; M117-W134 HydrophobicContact CB-CE3 4.2Å; M117-W134 HydrophobicContact CG-CE3 4.17Å; G120-W134 VanDerWaalsContact CA-CH2 3.47Å; K121-W134 HydrophobicContact CD-CB 4.49Å; K121-W134 HydrophobicContact CD-CG 4.32Å; K121-W134 HydrophobicContact CG-CB 4.41Å; K121-W134 HydrophobicContact CG-CD2 3.74Å; K121-W134 HydrophobicContact CG-CE3 4.35Å; K121-W134 HydrophobicContact CG-CG 3.73Å; A124-W134 HydrophobicContact CB-CZ2 4.02Å; I132-W134 HydrophobicContact CB-CZ2 4.49Å; I132-W134 HydrophobicContact CD1-CZ2 4.38Å; I132-W134 HydrophobicContact CG2-CD2 4.18Å; I132-W134 HydrophobicContact CG2-CG 4.44Å; I132-W134 HydrophobicContact CG2-CZ2 3.88Å; I132-W134 VanDerWaalsContact O-CD1 3.3Å
135	I	98.4	Very high	94	Very high	58 Å²	58	65 Å²	65	30%	0.297	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.7	-174	-57.5	-64.1	0	0	0	109.6	T108 V109 C110 D111 P143 F144	T108-I135 HydrophobicContact CG2-CB 4.48Å; T108-I135 HydrophobicContact CG2-CG1 3.85Å; V109-I135 PolarHBondContact O-N 3.25Å; C110-I135 VanDerWaalsContact CA-O 3.25Å; C110-I135 WeakPolarHBondContact CA-O 3.33Å; D111-I135 PolarHBondContact N-O 3.05Å; D111-I135 VanDerWaalsContact N-O 3.13Å; I135-P143 HydrophobicContact CG2-CG 3.77Å; I135-F144 HydrophobicContact CB-CE1 4.44Å; I135-F144 HydrophobicContact CB-CZ 4.1Å; I135-F144 HydrophobicContact CG1-CE1 4.21Å; I135-F144 HydrophobicContact CG1-CZ 4.28Å; I135-F144 HydrophobicContact CG2-CE1 4.14Å; I135-F144 HydrophobicContact CG2-CZ 3.92Å
136	E	97.9	Very high	94.3	Very high	125 Å²	125	61.7 Å²	61.7	58%	0.584	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.9	169	-164.9	-179.8	146.5	0	0	109.5	D111 M117	D111-E136 CarbonylContact O-C 3.49Å; D111-E136 VanDerWaalsContact O-CA 3.3Å; D111-E136 WeakPolarHBondContact O-CA 3.46Å; M117-E136 HydrophobicContact CE-CB 3.71Å; M117-E136 HydrophobicContact CE-CG 3.97Å
137	G	97.6	Very high	94.6	Very high	11 Å²	11	57.1 Å²	57.1	11%	0.113	32%	0.318	C	S	.	.			trans	-168.8	149.9	-179.3	0	0	0	0	0	114.2	D111 I112	D111-G137 CarbonylContact C-O 3.51Å; D111-G137 VanDerWaalsContact C-O 3.29Å; D111-G137 PolarHBondContact O-N 3.15Å; I112-G137 WeakPolarHBondContact CA-O 3.32Å; I112-G137 PolarHBondContact N-O 3.15Å
138	N	97.3	Very high	95.1	Very high	48 Å²	48	54.9 Å²	54.9	26%	0.257	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-87.2	127.3	174.2	-170	-31.4	0	0	0	109.6	I112 E140 N141 L142	I112-N138 HydrophobicContact CD1-CB 3.88Å; N138-E140 PolarHBondContact O-N 2.94Å; N138-E140 VanDerWaalsContact O-N 3.12Å; N138-E140 WeakPolarHBondContact OD1-CB 3.47Å; N138-E140 PolarHBondContact OD1-N 3.12Å; N138-N141 CarbonylContact O-C 3.52Å; N138-N141 PolarHBondContact O-N 3.26Å; N138-N141 VanDerWaalsContact O-O 3.11Å; N138-L142 PolarHBondContact O-N 2.93Å
139	A	98.2	Very high	95.7	Very high	9 Å²	9	53.7 Å²	53.7	7%	0.074	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.3	176.7	0	0	0	0	0	113.6	V72 N141 V167 E170	V72-A139 HydrophobicContact CG1-CB 3.53Å; A139-N141 VanDerWaalsContact C-N 3.35Å; A139-V167 HydrophobicContact CB-CG1 3.92Å; A139-V167 HydrophobicContact CB-CG2 4.03Å; A139-E170 WeakPolarHBondContact O-CB 3.3Å
140	E	97.8	Very high	96.3	Very high	13 Å²	13	54.5 Å²	54.5	6%	0.061	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.6	174.7	-67	-175.8	-144.2	0	0	114	N138 C161 T162 H163 K166 V167	N138-E140 PolarHBondContact O-N 2.94Å; N138-E140 VanDerWaalsContact O-N 3.12Å; N138-E140 WeakPolarHBondContact OD1-CB 3.47Å; N138-E140 PolarHBondContact OD1-N 3.12Å; E140-C161 HydrophobicContact CG-CB 4.43Å; E140-T162 VanDerWaalsContact OE1-CA 3.27Å; E140-T162 WeakPolarHBondContact OE1-CA 3.29Å; E140-T162 VanDerWaalsContact OE1-CB 3.22Å; E140-T162 WeakPolarHBondContact OE1-CB 3.46Å; E140-T162 PolarHBondContact OE1-N 2.76Å; E140-H163 PolarHBondContact OE1-N 2.68Å; E140-H163 IonicContact OE1-ND1 2.71Å; E140-H163 IonicContact OE2-CE1 3.44Å; E140-H163 IonicContact OE2-CG 2.75Å; E140-H163 IonicContact OE2-ND1 3.91Å; E140-H163 PolarHBondContact OE2-ND1 3Å; E140-K166 HydrophobicContact CB-CD 4.11Å; E140-K166 HydrophobicContact CB-CG 4.31Å; E140-K166 HydrophobicContact CG-CB 4.45Å; E140-K166 WeakPolarHBondContact O-CD 3.46Å; E140-K166 WeakPolarHBondContact O-CE 3.05Å; E140-K166 PolarHBondContact O-NZ 3.28Å; E140-V167 HydrophobicContact CG-CG2 3.64Å
141	N	98	Very high	97.1	Very high	113 Å²	113	50 Å²	50	60%	0.604	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	-158.3	75.4	177.7	-172.4	39.7	0	0	0	109.1	N138 A139	N138-N141 CarbonylContact O-C 3.52Å; N138-N141 PolarHBondContact O-N 3.26Å; N138-N141 VanDerWaalsContact O-O 3.11Å; A139-N141 VanDerWaalsContact C-N 3.35Å
142	L	98.7	Very high	97.8	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	26%	0.256	C	S	.	.			trans	-71.1	134.1	-172.1	-72.2	171.7	0	0	0	110.7	L70 V72 N138 F144 Y152 E170 R173 V174	L70-L142 HydrophobicContact CD2-CD1 4.16Å; V72-L142 HydrophobicContact CG1-CD2 4.25Å; V72-L142 HydrophobicContact CG2-CD1 4.45Å; V72-L142 HydrophobicContact CG2-CD2 4.05Å; N138-L142 PolarHBondContact O-N 2.93Å; L142-F144 HydrophobicContact CB-CD2 3.93Å; L142-F144 HydrophobicContact CB-CE2 4.49Å; L142-F144 HydrophobicContact CD2-CD2 4.47Å; L142-F144 HydrophobicContact CD2-CE2 4.28Å; L142-F144 PolarHBondContact O-N 2.88Å; L142-Y152 HydrophobicContact CD1-CE2 3.79Å; L142-E170 HydrophobicContact CD1-CB 3.9Å; L142-E170 HydrophobicContact CG-CB 4.2Å; L142-E170 PolarHBondContact N-OE2 3.49Å; L142-R173 PolarHBondContact O-NH2 3.37Å; L142-V174 HydrophobicContact CB-CG1 4.13Å; L142-V174 HydrophobicContact CD1-CG1 3.95Å; L142-V174 HydrophobicContact CD1-CG2 4.04Å
143	P	98.2	Very high	98.1	Very high	74 Å²	74	47.8 Å²	47.8	48%	0.481	25%	0.252	S	S	.	.	S	Bend	trans	-79.5	39.5	-176.5	35.8	-38.3	0	0	0	112.7	I135	I135-P143 HydrophobicContact CG2-CG 3.77Å
144	F	98.6	Very high	98.2	Very high	31 Å²	31	42.8 Å²	42.8	14%	0.136	23%	0.229	C	C	.	.	S	Bend	trans	-125.7	150.4	-177.7	-51.6	-64.3	0	0	0	110.9	L70 T108 C110 I135 L142 F149 R173 V174	L70-F144 HydrophobicContact CD1-CD2 4.22Å; L70-F144 HydrophobicContact CD1-CE2 3.47Å; L70-F144 VanDerWaalsContact CD1-CE2 3.47Å; L70-F144 HydrophobicContact CD1-CZ 3.78Å; L70-F144 HydrophobicContact CD2-CD2 3.82Å; L70-F144 HydrophobicContact CD2-CE2 3.81Å; L70-F144 HydrophobicContact CG-CE2 4.31Å; T108-F144 HydrophobicContact CG2-CE1 4.19Å; T108-F144 HydrophobicContact CG2-CZ 3.95Å; C110-F144 HydrophobicContact CB-CE2 3.98Å; C110-F144 HydrophobicContact CB-CZ 4.08Å; I135-F144 HydrophobicContact CB-CE1 4.44Å; I135-F144 HydrophobicContact CB-CZ 4.1Å; I135-F144 HydrophobicContact CG1-CE1 4.21Å; I135-F144 HydrophobicContact CG1-CZ 4.28Å; I135-F144 HydrophobicContact CG2-CE1 4.14Å; I135-F144 HydrophobicContact CG2-CZ 3.92Å; L142-F144 HydrophobicContact CB-CD2 3.93Å; L142-F144 HydrophobicContact CB-CE2 4.49Å; L142-F144 HydrophobicContact CD2-CD2 4.47Å; L142-F144 HydrophobicContact CD2-CE2 4.28Å; L142-F144 PolarHBondContact O-N 2.88Å; F144-F149 HydrophobicContact CB-CE2 3.88Å; F144-F149 AromaticContact CD1-CE2 3.9Å; F144-F149 HydrophobicContact CD1-CE2 3.9Å; F144-F149 AromaticContact CD1-CZ 3.93Å; F144-F149 HydrophobicContact CD1-CZ 3.93Å; F144-F149 AromaticContact CD2-CE2 3.77Å; F144-F149 HydrophobicContact CD2-CE2 3.77Å; F144-F149 HydrophobicContact CD2-CZ 4.3Å; F144-F149 HydrophobicContact CE1-CE2 4.4Å; F144-F149 HydrophobicContact CE1-CZ 4.07Å; F144-F149 HydrophobicContact CE2-CE2 4.32Å; F144-F149 HydrophobicContact CE2-CZ 4.47Å; F144-F149 AromaticContact CG-CE2 3.57Å; F144-F149 HydrophobicContact CG-CE2 3.57Å; F144-F149 HydrophobicContact CG-CZ 4.07Å; F144-F149 HydrophobicContact CZ-CZ 4.35Å; F144-R173 PolarHBondContact O-NH1 3.28Å; F144-R173 PolarHBondContact O-NH2 3.03Å; F144-V174 HydrophobicContact CB-CG1 4.04Å
145	N	98.4	Very high	98.2	Very high	130 Å²	130	41.2 Å²	41.2	70%	0.695	23%	0.225	S	C	*	.			trans	-70.8	160.9	173.5	-65.7	-33.7	0	0	0	111	S148	N145-S148 WeakPolarHBondContact O-CB 3.46Å; N145-S148 PolarHBondContact O-OG 2.87Å
146	D	98.3	Very high	98.1	Very high	95 Å²	95	39 Å²	39	51%	0.508	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	146.8	172.8	-59.8	6.4	0	0	0	110.7	S148 R173	D146-S148 VanDerWaalsContact C-N 3.29Å; D146-S148 PolarHBondContact O-N 3.12Å; D146-R173 WeakPolarHBondContact CA-O 3.28Å; D146-R173 HydrophobicContact CB-CG 4.37Å; D146-R173 VanDerWaalsContact OD1-CD 3.24Å; D146-R173 WeakPolarHBondContact OD1-CD 3.5Å; D146-R173 WeakPolarHBondContact OD1-CG 3.46Å; D146-R173 IonicContact OD1-CZ 2.66Å; D146-R173 IonicContact OD1-NE 3.58Å; D146-R173 IonicContact OD1-NH1 3.65Å; D146-R173 PolarHBondContact OD1-NH1 3.46Å
147	N	97.8	Very high	98	Very high	68 Å²	68	33.4 Å²	33.4	36%	0.364	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	40.6	174.9	-50.5	-54.3	0	0	0	114	R173 V174 L175 R176 K265	N147-R173 PolarHBondContact N-O 3.23Å; N147-V174 CarbonylContact C-O 3.54Å; N147-L175 PolarHBondContact OD1-O 3.17Å; N147-R176 HydrophobicContact CB-CB 4.49Å; N147-R176 HydrophobicContact CB-CG 3.93Å; N147-R176 WeakPolarHBondContact O-CG 3.37Å; N147-R176 PolarHBondContact O-NE 3.17Å; N147-R176 VanDerWaalsContact O-NE 3.09Å; N147-K265 PolarHBondContact OD1-NZ 3.12Å
148	S	98.1	Very high	98	Very high	32 Å²	32	32.9 Å²	32.9	22%	0.224	18%	0.184	C	C	.	.			trans	-89.3	-31.4	-179.4	-66.2	0	0	0	0	113.8	N145 D146 V174	N145-S148 WeakPolarHBondContact O-CB 3.46Å; N145-S148 PolarHBondContact O-OG 2.87Å; D146-S148 VanDerWaalsContact C-N 3.29Å; D146-S148 PolarHBondContact O-N 3.12Å; S148-V174 PolarHBondContact N-O 3.41Å
149	F	98.6	Very high	97.9	Very high	13 Å²	13	31.2 Å²	31.2	6%	0.057	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.6	-171.5	-60.8	-84.2	0	0	0	112.8	K68 L70 T108 F144 V174 L175 R176	K68-F149 HydrophobicContact CB-CD1 4.13Å; L70-F149 HydrophobicContact CB-CB 4.23Å; L70-F149 HydrophobicContact CB-CD1 3.65Å; L70-F149 HydrophobicContact CB-CD2 3.86Å; L70-F149 HydrophobicContact CB-CE1 3.88Å; L70-F149 HydrophobicContact CB-CE2 4.08Å; L70-F149 HydrophobicContact CB-CG 3.63Å; L70-F149 HydrophobicContact CB-CZ 4.09Å; L70-F149 HydrophobicContact CD1-CE1 4.29Å; L70-F149 HydrophobicContact CD1-CE2 4.18Å; L70-F149 HydrophobicContact CD1-CZ 3.91Å; L70-F149 HydrophobicContact CD2-CD2 3.88Å; L70-F149 HydrophobicContact CD2-CE2 3.81Å; L70-F149 HydrophobicContact CD2-CZ 4.37Å; L70-F149 HydrophobicContact CG-CD2 4.37Å; L70-F149 HydrophobicContact CG-CE2 4.24Å; L70-F149 HydrophobicContact CG-CZ 4.34Å; T108-F149 HydrophobicContact CG2-CZ 4.44Å; F144-F149 HydrophobicContact CB-CE2 3.88Å; F144-F149 AromaticContact CD1-CE2 3.9Å; F144-F149 HydrophobicContact CD1-CE2 3.9Å; F144-F149 AromaticContact CD1-CZ 3.93Å; F144-F149 HydrophobicContact CD1-CZ 3.93Å; F144-F149 AromaticContact CD2-CE2 3.77Å; F144-F149 HydrophobicContact CD2-CE2 3.77Å; F144-F149 HydrophobicContact CD2-CZ 4.3Å; F144-F149 HydrophobicContact CE1-CE2 4.4Å; F144-F149 HydrophobicContact CE1-CZ 4.07Å; F144-F149 HydrophobicContact CE2-CE2 4.32Å; F144-F149 HydrophobicContact CE2-CZ 4.47Å; F144-F149 AromaticContact CG-CE2 3.57Å; F144-F149 HydrophobicContact CG-CE2 3.57Å; F144-F149 HydrophobicContact CG-CZ 4.07Å; F144-F149 HydrophobicContact CZ-CZ 4.35Å; F149-V174 HydrophobicContact CD2-CB 4.21Å; F149-V174 HydrophobicContact CD2-CG2 4.35Å; F149-V174 PolarHBondContact N-O 3.13Å; F149-L175 CarbonylContact O-C 3.58Å; F149-L175 WeakPolarHBondContact O-CA 3.41Å; F149-R176 PolarHBondContact O-N 3.29Å
150	D	98	Very high	97.8	Very high	30 Å²	30	31.3 Å²	31.3	16%	0.16	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-29	177.3	-51.8	-62.4	0	0	0	111.5	L67 K68 R176 G179 R180	L67-D150 HydrophobicContact CB-CB 4.13Å; L67-D150 HydrophobicContact CD2-CB 3.93Å; L67-D150 HydrophobicContact CG-CB 4.49Å; K68-D150 PolarHBondContact N-OD2 3.02Å; K68-D150 PolarHBondContact O-N 3.32Å; D150-R176 WeakPolarHBondContact OD1-CD 3.45Å; D150-R176 IonicContact OD1-CZ 3.18Å; D150-R176 IonicContact OD1-NE 3.99Å; D150-R176 IonicContact OD1-NH1 3.86Å; D150-R176 PolarHBondContact OD1-NH1 3.07Å; D150-R176 IonicContact OD2-NH1 3.07Å; D150-G179 CarbonylContact O-C 3.55Å; D150-G179 WeakPolarHBondContact O-CA 3.43Å; D150-R180 PolarHBondContact O-N 2.81Å
151	V	98.6	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.2	178.5	-177.1	0	0	0	0	110.4	I61 L67 K68 Y69 L70 T153 R180 Y182	I61-V151 HydrophobicContact CG2-CG1 3.99Å; L67-V151 HydrophobicContact CD1-CG2 4.13Å; K68-V151 PolarHBondContact O-N 3.18Å; Y69-V151 WeakPolarHBondContact CA-O 3.32Å; Y69-V151 HydrophobicContact CD1-CB 3.57Å; Y69-V151 HydrophobicContact CD1-CG1 3.81Å; Y69-V151 HydrophobicContact CD1-CG2 4.1Å; Y69-V151 HydrophobicContact CE1-CB 3.73Å; Y69-V151 HydrophobicContact CE1-CG1 3.97Å; Y69-V151 HydrophobicContact CE1-CG2 3.72Å; Y69-V151 HydrophobicContact CG-CB 4.43Å; L70-V151 PolarHBondContact N-O 3.33Å; V151-T153 HydrophobicContact CG1-CG2 4.21Å; V151-R180 WeakPolarHBondContact CA-O 3.38Å; V151-Y182 HydrophobicContact CG1-CD2 3.98Å; V151-Y182 HydrophobicContact CG1-CE2 4.24Å
152	Y	98.8	Very high	97.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.1	174.5	-176.1	-74.7	0	0	0	108.9	L70 V72 L142 I154 A171 V174 R180 F181 Y182	L70-Y152 HydrophobicContact CD2-CD2 3.87Å; L70-Y152 HydrophobicContact CD2-CE2 3.93Å; L70-Y152 HydrophobicContact CG-CD2 4.41Å; L70-Y152 CarbonylContact O-C 3.5Å; L70-Y152 WeakPolarHBondContact O-CA 3.44Å; V72-Y152 HydrophobicContact CB-CE1 4.24Å; V72-Y152 HydrophobicContact CB-CE2 4.16Å; V72-Y152 VanDerWaalsContact CB-OH 3.28Å; V72-Y152 WeakPolarHBondContact CB-OH 3.2Å; V72-Y152 WeakPolarHBondContact CG1-OH 3.47Å; V72-Y152 HydrophobicContact CG2-CD2 4.15Å; V72-Y152 HydrophobicContact CG2-CE1 4.18Å; V72-Y152 HydrophobicContact CG2-CE2 3.3Å; V72-Y152 VanDerWaalsContact CG2-OH 3.28Å; V72-Y152 WeakPolarHBondContact CG2-OH 3.33Å; L142-Y152 HydrophobicContact CD1-CE2 3.79Å; Y152-I154 HydrophobicContact CD1-CG2 4.44Å; Y152-I154 HydrophobicContact CE1-CB 3.83Å; Y152-I154 HydrophobicContact CE1-CG2 3.76Å; Y152-A171 HydrophobicContact CD1-CB 3.9Å; Y152-A171 HydrophobicContact CD2-CB 3.68Å; Y152-A171 HydrophobicContact CE1-CB 3.82Å; Y152-A171 HydrophobicContact CE2-CB 3.58Å; Y152-A171 HydrophobicContact CG-CB 3.84Å; Y152-V174 HydrophobicContact CD2-CG2 3.93Å; Y152-V174 HydrophobicContact CE2-CG2 4.28Å; Y152-R180 PolarHBondContact N-O 3.22Å; Y152-F181 AromaticContact CD1-CD2 3.42Å; Y152-F181 HydrophobicContact CD1-CD2 3.42Å; Y152-F181 VanDerWaalsContact CD1-CD2 3.42Å; Y152-F181 AromaticContact CD1-CE2 3.55Å; Y152-F181 HydrophobicContact CD1-CE2 3.55Å; Y152-F181 AromaticContact CE1-CD2 3.99Å; Y152-F181 HydrophobicContact CE1-CD2 3.99Å; Y152-F181 AromaticContact CE1-CE2 3.62Å; Y152-F181 HydrophobicContact CE1-CE2 3.62Å; Y152-F181 HydrophobicContact CG-CD2 4.07Å; Y152-Y182 PolarHBondContact O-N 2.77Å
153	T	98.9	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.1	173	59	0	0	0	0	110.4	F57 I61 L70 D71 V72 V151 Y182	F57-T153 HydrophobicContact CE1-CG2 4.2Å; F57-T153 HydrophobicContact CZ-CG2 4.23Å; I61-T153 HydrophobicContact CD1-CG2 3.43Å; I61-T153 VanDerWaalsContact CD1-CG2 3.43Å; I61-T153 HydrophobicContact CG1-CG2 4.48Å; L70-T153 PolarHBondContact O-N 3.27Å; L70-T153 PolarHBondContact O-OG1 2.84Å; D71-T153 VanDerWaalsContact CA-OG1 3.29Å; D71-T153 WeakPolarHBondContact CA-OG1 3.22Å; D71-T153 WeakPolarHBondContact CB-OG1 3.5Å; D71-T153 PolarHBondContact OD1-OG1 3.41Å; V72-T153 PolarHBondContact N-O 3.29Å; V151-T153 HydrophobicContact CG1-CG2 4.21Å; T153-Y182 WeakPolarHBondContact CA-O 3.37Å
154	I	98.7	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	123	166.2	-177.7	155.8	0	0	0	108.5	V72 A73 Y152 I158 V167 F181 Y182 C183 L184	V72-I154 HydrophobicContact CB-CD1 4.34Å; V72-I154 HydrophobicContact CG1-CD1 4.12Å; V72-I154 WeakPolarHBondContact O-CA 3.43Å; V72-I154 WeakPolarHBondContact O-CG1 3.28Å; A73-I154 HydrophobicContact CB-CD1 4.29Å; A73-I154 HydrophobicContact CB-CG1 4.31Å; Y152-I154 HydrophobicContact CD1-CG2 4.44Å; Y152-I154 HydrophobicContact CE1-CB 3.83Å; Y152-I154 HydrophobicContact CE1-CG2 3.76Å; I154-I158 HydrophobicContact CD1-CB 3.76Å; I154-I158 HydrophobicContact CD1-CG1 4.38Å; I154-I158 HydrophobicContact CG1-CB 4.18Å; I154-V167 HydrophobicContact CD1-CG1 4.25Å; I154-F181 HydrophobicContact CG2-CE2 4.17Å; I154-F181 HydrophobicContact CG2-CZ 4.25Å; I154-Y182 PolarHBondContact N-O 2.99Å; I154-C183 HydrophobicContact CG2-CB 3.84Å; I154-C183 CarbonylContact O-C 3.54Å; I154-C183 VanDerWaalsContact O-CA 3.31Å; I154-C183 WeakPolarHBondContact O-CA 3.18Å; I154-L184 PolarHBondContact O-N 3.36Å
155	A	98.3	Very high	97.2	Very high	11 Å²	11	31.4 Å²	31.4	9%	0.091	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.1	-175.5	0	0	0	0	0	110.8	F57 I79 G157 L184	F57-A155 HydrophobicContact CE1-CB 4.48Å; I79-A155 HydrophobicContact CD1-CB 4.04Å; I79-A155 HydrophobicContact CG1-CB 3.64Å; A155-G157 PolarHBondContact O-N 3.41Å; A155-L184 CarbonylContact C-O 3.6Å; A155-L184 WeakPolarHBondContact CA-O 3.11Å; A155-L184 HydrophobicContact CB-CB 4.06Å; A155-L184 HydrophobicContact CB-CD2 4.24Å
156	F	95.7	Very high	97.2	Very high	11 Å²	11	29.5 Å²	29.5	5%	0.048	15%	0.153	C	C	.	.	S	Bend	trans	54.5	25.2	179.1	-55	-63.9	0	0	0	114.4	W53 K54 R159 L184 E185 F186 V258	W53-F156 HydrophobicContact CE3-CZ 4.2Å; K54-F156 HydrophobicContact CG-CE2 4.26Å; F156-R159 VanDerWaalsContact CB-NH1 3.33Å; F156-R159 VanDerWaalsContact O-CZ 3.24Å; F156-R159 PolarHBondContact O-NH1 2.78Å; F156-R159 PolarHBondContact O-NH2 3.4Å; F156-R159 VanDerWaalsContact O-NH2 3.11Å; F156-L184 HydrophobicContact CD2-CD2 4.25Å; F156-L184 HydrophobicContact CE1-CG 4.29Å; F156-L184 HydrophobicContact CE2-CD2 3.48Å; F156-L184 VanDerWaalsContact CE2-CD2 3.48Å; F156-L184 HydrophobicContact CE2-CG 3.99Å; F156-L184 HydrophobicContact CZ-CD1 4.49Å; F156-L184 HydrophobicContact CZ-CD2 3.71Å; F156-L184 HydrophobicContact CZ-CG 3.79Å; F156-L184 PolarHBondContact N-O 3.07Å; F156-E185 WeakPolarHBondContact CA-OE2 3.49Å; F156-F186 AromaticContact CD1-CD2 3.72Å; F156-F186 HydrophobicContact CD1-CD2 3.72Å; F156-F186 AromaticContact CD1-CE2 3.58Å; F156-F186 HydrophobicContact CD1-CE2 3.58Å; F156-F186 HydrophobicContact CD1-CG 4.37Å; F156-F186 HydrophobicContact CD1-CZ 4.1Å; F156-F186 HydrophobicContact CE1-CD1 4.38Å; F156-F186 HydrophobicContact CE1-CD2 4.06Å; F156-F186 HydrophobicContact CE1-CE1 4.2Å; F156-F186 AromaticContact CE1-CE2 3.88Å; F156-F186 HydrophobicContact CE1-CE2 3.88Å; F156-F186 HydrophobicContact CE1-CG 4.3Å; F156-F186 AromaticContact CE1-CZ 3.95Å; F156-F186 HydrophobicContact CE1-CZ 3.95Å; F156-F186 HydrophobicContact CG-CE2 4.41Å; F156-V258 HydrophobicContact CE1-CG1 4.03Å; F156-V258 HydrophobicContact CE1-CG2 3.99Å; F156-V258 HydrophobicContact CZ-CG1 4.07Å; F156-V258 HydrophobicContact CZ-CG2 4.24Å
157	G	95.7	Very high	97.2	Very high	8 Å²	8	25 Å²	25	8%	0.082	13%	0.128	C	C	.	.			trans	-110.8	-39.1	-177.2	0	0	0	0	0	113.9	A155 R159 N160 E185	A155-G157 PolarHBondContact O-N 3.41Å; G157-R159 VanDerWaalsContact C-N 3.3Å; G157-R159 PolarHBondContact O-N 2.97Å; G157-N160 PolarHBondContact O-N 3.25Å; G157-N160 VanDerWaalsContact O-N 3.1Å; G157-N160 PolarHBondContact O-ND2 3.01Å; G157-E185 PolarHBondContact N-OE2 2.81Å
158	I	97.6	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-64.6	-30.8	-166.1	-166.5	164.1	0	0	0	113.3	I154 N160 C161 I164 V167 V168 E185 F230 F236	I154-I158 HydrophobicContact CD1-CB 3.76Å; I154-I158 HydrophobicContact CD1-CG1 4.38Å; I154-I158 HydrophobicContact CG1-CB 4.18Å; I158-N160 PolarHBondContact O-N 2.79Å; I158-N160 VanDerWaalsContact O-N 3.1Å; I158-C161 WeakPolarHBondContact O-CB 3.47Å; I158-C161 PolarHBondContact O-N 2.87Å; I158-C161 VanDerWaalsContact O-N 3.08Å; I158-I164 HydrophobicContact CD1-CG2 4.11Å; I158-I164 HydrophobicContact CG1-CG2 4.26Å; I158-V167 HydrophobicContact CD1-CB 4.11Å; I158-V167 HydrophobicContact CD1-CG1 3.75Å; I158-V167 HydrophobicContact CG1-CB 4.24Å; I158-V167 HydrophobicContact CG1-CG1 3.95Å; I158-V168 HydrophobicContact CD1-CG2 3.94Å; I158-E185 HydrophobicContact CG2-CB 4.39Å; I158-E185 HydrophobicContact CG2-CG 4.01Å; I158-F230 HydrophobicContact CG2-CE2 3.69Å; I158-F230 HydrophobicContact CG2-CZ 3.69Å; I158-F236 HydrophobicContact CD1-CE2 3.98Å; I158-F236 HydrophobicContact CD1-CZ 3.82Å
159	R	95.5	Very high	97.3	Very high	13 Å²	13	22.5 Å²	22.5	5%	0.049	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-60.4	-22.4	177.7	69.3	179.6	-178.7	-77.2	-14.9	114.2	F156 G157 E185 F230	F156-R159 VanDerWaalsContact CB-NH1 3.33Å; F156-R159 VanDerWaalsContact O-CZ 3.24Å; F156-R159 PolarHBondContact O-NH1 2.78Å; F156-R159 PolarHBondContact O-NH2 3.4Å; F156-R159 VanDerWaalsContact O-NH2 3.11Å; G157-R159 VanDerWaalsContact C-N 3.3Å; G157-R159 PolarHBondContact O-N 2.97Å; R159-E185 WeakPolarHBondContact CG-OE2 3.38Å; R159-E185 IonicContact CZ-OE1 2.6Å; R159-E185 PolarHBondContact N-OE2 3.47Å; R159-E185 VanDerWaalsContact NH1-CD 3.32Å; R159-E185 IonicContact NH1-OE1 3.53Å; R159-E185 PolarHBondContact NH1-OE1 2.82Å; R159-E185 IonicContact NH1-OE2 3.01Å; R159-E185 PolarHBondContact NH1-OE2 3.06Å; R159-F230 HydrophobicContact CB-CB 4.24Å; R159-F230 HydrophobicContact CB-CD2 3.61Å; R159-F230 HydrophobicContact CB-CE2 4.26Å; R159-F230 HydrophobicContact CB-CG 4.05Å
160	N	95.5	Very high	97.3	Very high	11 Å²	11	22.7 Å²	22.7	6%	0.059	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-85.4	-14.5	-178.2	-48.9	-67.5	0	0	0	112	V27 F31 G157 I158 Y222	V27-N160 HydrophobicContact CG1-CB 3.84Å; F31-N160 HydrophobicContact CE2-CB 4.15Å; G157-N160 PolarHBondContact O-N 3.25Å; G157-N160 VanDerWaalsContact O-N 3.1Å; G157-N160 PolarHBondContact O-ND2 3.01Å; I158-N160 PolarHBondContact O-N 2.79Å; I158-N160 VanDerWaalsContact O-N 3.1Å; N160-Y222 PolarHBondContact OD1-OH 3.4Å
161	C	95.8	Very high	97.3	Very high	15 Å²	15	21.3 Å²	21.3	10%	0.101	11%	0.11	C	C	.	.	S	Bend	trans	-70.3	153.5	178	-60.1	0	0	0	0	111.5	K23 E140 I158 V167	K23-C161 WeakPolarHBondContact CE-O 3.41Å; K23-C161 PolarHBondContact NZ-O 3.28Å; E140-C161 HydrophobicContact CG-CB 4.43Å; I158-C161 WeakPolarHBondContact O-CB 3.47Å; I158-C161 PolarHBondContact O-N 2.87Å; I158-C161 VanDerWaalsContact O-N 3.08Å; C161-V167 HydrophobicContact CB-CG2 3.52Å
162	T	94.2	Very high	97.3	Very high	17 Å²	17	24.1 Å²	24.1	10%	0.104	12%	0.121	C	C	.	.	S	Bend	trans	-78.1	-45.5	-178.4	-54.1	0	0	0	0	111.7	T11 T20 K23 E140	T11-T162 HydrophobicContact CG2-CG2 4.02Å; T20-T162 HydrophobicContact CG2-CG2 3.62Å; K23-T162 HydrophobicContact CD-CG2 4.01Å; E140-T162 VanDerWaalsContact OE1-CA 3.27Å; E140-T162 WeakPolarHBondContact OE1-CA 3.29Å; E140-T162 VanDerWaalsContact OE1-CB 3.22Å; E140-T162 WeakPolarHBondContact OE1-CB 3.46Å; E140-T162 PolarHBondContact OE1-N 2.76Å
163	H	95.4	Very high	97.3	Very high	80 Å²	80	26.9 Å²	26.9	37%	0.37	13%	0.131	S	C	.	.			trans	-119.3	95.9	179.5	-50.2	94.1	0	0	0	109.6	E140 E165 K166 V167	E140-H163 PolarHBondContact OE1-N 2.68Å; E140-H163 IonicContact OE1-ND1 2.71Å; E140-H163 IonicContact OE2-CE1 3.44Å; E140-H163 IonicContact OE2-CG 2.75Å; E140-H163 IonicContact OE2-ND1 3.91Å; E140-H163 PolarHBondContact OE2-ND1 3Å; H163-E165 VanDerWaalsContact C-N 3.3Å; H163-E165 PolarHBondContact O-N 3.27Å; H163-K166 HydrophobicContact CB-CB 3.7Å; H163-K166 WeakPolarHBondContact O-CB 3.34Å; H163-K166 PolarHBondContact O-N 3.2Å; H163-K166 VanDerWaalsContact O-N 3.12Å; H163-V167 PolarHBondContact O-N 3.02Å; H163-V167 VanDerWaalsContact O-N 3.17Å
164	I	97	Very high	97.3	Very high	16 Å²	16	26.9 Å²	26.9	8%	0.082	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-42.1	-176	-66.8	168.2	0	0	0	110.3	I158 K166 V167 V168 F230 P231 F236 I239	I158-I164 HydrophobicContact CD1-CG2 4.11Å; I158-I164 HydrophobicContact CG1-CG2 4.26Å; I164-K166 PolarHBondContact O-N 2.96Å; I164-V167 WeakPolarHBondContact O-CB 3.43Å; I164-V167 PolarHBondContact O-N 2.87Å; I164-V167 VanDerWaalsContact O-N 3.12Å; I164-V168 WeakPolarHBondContact O-CG2 3.31Å; I164-V168 PolarHBondContact O-N 2.88Å; I164-F230 HydrophobicContact CD1-CD2 3.79Å; I164-F230 HydrophobicContact CD1-CE2 3.74Å; I164-F230 HydrophobicContact CG1-CE2 4.42Å; I164-F230 HydrophobicContact CG2-CE2 4.48Å; I164-P231 HydrophobicContact CD1-CG 4.22Å; I164-F236 HydrophobicContact CG2-CD2 4.14Å; I164-F236 HydrophobicContact CG2-CE2 3.72Å; I164-I239 HydrophobicContact CG2-CD1 4.5Å; I164-I239 HydrophobicContact CG2-CG2 4.48Å
165	E	97.2	Very high	97.3	Very high	109 Å²	109	26.9 Å²	26.9	51%	0.509	13%	0.131	S	C	.	.	H	α-helix	trans	-58.9	-38	177.6	-55.6	80.2	-179.4	0	0	110.9	H163 V168 S169 I239	H163-E165 VanDerWaalsContact C-N 3.3Å; H163-E165 PolarHBondContact O-N 3.27Å; E165-V168 PolarHBondContact O-N 3.44Å; E165-S169 WeakPolarHBondContact O-CB 3.24Å; E165-S169 PolarHBondContact O-N 2.87Å; E165-S169 PolarHBondContact O-OG 2.68Å; E165-I239 HydrophobicContact CB-CG2 4.44Å; E165-I239 HydrophobicContact CG-CG2 4.02Å
166	K	97.7	Very high	97.3	Very high	91 Å²	91	30.6 Å²	30.6	40%	0.396	14%	0.143	S	C	.	.	H	α-helix	trans	-67.4	-41.6	177.6	-163.7	172	-176.4	-132.6	0	111.4	E140 H163 I164 V168 S169 E170	E140-K166 HydrophobicContact CB-CD 4.11Å; E140-K166 HydrophobicContact CB-CG 4.31Å; E140-K166 HydrophobicContact CG-CB 4.45Å; E140-K166 WeakPolarHBondContact O-CD 3.46Å; E140-K166 WeakPolarHBondContact O-CE 3.05Å; E140-K166 PolarHBondContact O-NZ 3.28Å; H163-K166 HydrophobicContact CB-CB 3.7Å; H163-K166 WeakPolarHBondContact O-CB 3.34Å; H163-K166 PolarHBondContact O-N 3.2Å; H163-K166 VanDerWaalsContact O-N 3.12Å; I164-K166 PolarHBondContact O-N 2.96Å; K166-V168 VanDerWaalsContact C-N 3.33Å; K166-V168 PolarHBondContact O-N 3Å; K166-S169 WeakPolarHBondContact CA-OG 3.45Å; K166-S169 PolarHBondContact O-N 3.4Å; K166-S169 PolarHBondContact O-OG 2.73Å; K166-E170 WeakPolarHBondContact O-CB 3.33Å; K166-E170 WeakPolarHBondContact O-CG 3.46Å; K166-E170 PolarHBondContact O-N 3.33Å
167	V	98.7	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.3	-45.1	174.3	178.7	0	0	0	0	111.3	A139 E140 I154 I158 C161 H163 I164 E170 A171	A139-V167 HydrophobicContact CB-CG1 3.92Å; A139-V167 HydrophobicContact CB-CG2 4.03Å; E140-V167 HydrophobicContact CG-CG2 3.64Å; I154-V167 HydrophobicContact CD1-CG1 4.25Å; I158-V167 HydrophobicContact CD1-CB 4.11Å; I158-V167 HydrophobicContact CD1-CG1 3.75Å; I158-V167 HydrophobicContact CG1-CB 4.24Å; I158-V167 HydrophobicContact CG1-CG1 3.95Å; C161-V167 HydrophobicContact CB-CG2 3.52Å; H163-V167 PolarHBondContact O-N 3.02Å; H163-V167 VanDerWaalsContact O-N 3.17Å; I164-V167 WeakPolarHBondContact O-CB 3.43Å; I164-V167 PolarHBondContact O-N 2.87Å; I164-V167 VanDerWaalsContact O-N 3.12Å; V167-E170 PolarHBondContact O-N 3.4Å; V167-A171 PolarHBondContact O-N 3.24Å
168	V	98.8	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.9	-36.4	179.8	-173.9	0	0	0	0	111.2	I158 I164 E165 K166 A171 Y172 F236 I239 I240 S243 F245	I158-V168 HydrophobicContact CD1-CG2 3.94Å; I164-V168 WeakPolarHBondContact O-CG2 3.31Å; I164-V168 PolarHBondContact O-N 2.88Å; E165-V168 PolarHBondContact O-N 3.44Å; K166-V168 VanDerWaalsContact C-N 3.33Å; K166-V168 PolarHBondContact O-N 3Å; V168-A171 WeakPolarHBondContact O-CB 3.41Å; V168-A171 PolarHBondContact O-N 3.38Å; V168-Y172 PolarHBondContact O-N 2.77Å; V168-F236 HydrophobicContact CG2-CE2 4.02Å; V168-F236 HydrophobicContact CG2-CZ 4.34Å; V168-I239 HydrophobicContact CG2-CG2 4.22Å; V168-I240 HydrophobicContact CG1-CB 4.41Å; V168-I240 HydrophobicContact CG1-CG1 4.11Å; V168-S243 WeakPolarHBondContact CG1-OG 3.31Å; V168-F245 HydrophobicContact CG1-CD2 4.05Å; V168-F245 HydrophobicContact CG1-CE2 3.75Å
169	S	98.5	Very high	97.5	Very high	47 Å²	47	40.6 Å²	40.6	33%	0.329	19%	0.187	S	C	.	.	H	α-helix	trans	-64.8	-37.7	173.2	76.4	0	0	0	0	112.8	E165 K166 Y172 R173	E165-S169 WeakPolarHBondContact O-CB 3.24Å; E165-S169 PolarHBondContact O-N 2.87Å; E165-S169 PolarHBondContact O-OG 2.68Å; K166-S169 WeakPolarHBondContact CA-OG 3.45Å; K166-S169 PolarHBondContact O-N 3.4Å; K166-S169 PolarHBondContact O-OG 2.73Å; S169-Y172 WeakPolarHBondContact O-CB 3.4Å; S169-Y172 PolarHBondContact O-N 3.25Å; S169-R173 WeakPolarHBondContact O-CB 3.46Å; S169-R173 PolarHBondContact O-N 3.17Å
170	E	98.8	Very high	97.6	Very high	18 Å²	18	43 Å²	43	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-40.1	174.8	-80.3	-66.2	98.4	0	0	111.1	A139 L142 K166 V167 Y172 R173 V174	A139-E170 WeakPolarHBondContact O-CB 3.3Å; L142-E170 HydrophobicContact CD1-CB 3.9Å; L142-E170 HydrophobicContact CG-CB 4.2Å; L142-E170 PolarHBondContact N-OE2 3.49Å; K166-E170 WeakPolarHBondContact O-CB 3.33Å; K166-E170 WeakPolarHBondContact O-CG 3.46Å; K166-E170 PolarHBondContact O-N 3.33Å; V167-E170 PolarHBondContact O-N 3.4Å; E170-Y172 VanDerWaalsContact C-N 3.32Å; E170-Y172 PolarHBondContact O-N 3.01Å; E170-R173 WeakPolarHBondContact O-CB 3.43Å; E170-R173 PolarHBondContact O-N 2.6Å; E170-R173 IonicContact OE1-CZ 2.77Å; E170-R173 IonicContact OE1-NE 3.06Å; E170-R173 PolarHBondContact OE1-NE 3.31Å; E170-R173 IonicContact OE1-NH2 3.44Å; E170-R173 IonicContact OE2-CZ 3.7Å; E170-R173 IonicContact OE2-NE 3.91Å; E170-R173 PolarHBondContact OE2-NE 2.88Å; E170-R173 IonicContact OE2-NH2 2.79Å; E170-R173 PolarHBondContact OE2-NH2 3.12Å; E170-V174 WeakPolarHBondContact O-CG1 3.33Å; E170-V174 WeakPolarHBondContact O-CG2 3.49Å; E170-V174 PolarHBondContact O-N 3.47Å
171	A	98.8	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-44.3	171.8	0	0	0	0	0	111.5	Y152 V167 V168 R173 L175 F181 F245	Y152-A171 HydrophobicContact CD1-CB 3.9Å; Y152-A171 HydrophobicContact CD2-CB 3.68Å; Y152-A171 HydrophobicContact CE1-CB 3.82Å; Y152-A171 HydrophobicContact CE2-CB 3.58Å; Y152-A171 HydrophobicContact CG-CB 3.84Å; V167-A171 PolarHBondContact O-N 3.24Å; V168-A171 WeakPolarHBondContact O-CB 3.41Å; V168-A171 PolarHBondContact O-N 3.38Å; A171-R173 VanDerWaalsContact C-N 3.35Å; A171-R173 PolarHBondContact O-N 2.76Å; A171-L175 WeakPolarHBondContact O-CB 3.4Å; A171-L175 WeakPolarHBondContact O-CD1 3.28Å; A171-L175 WeakPolarHBondContact O-CG 3.44Å; A171-L175 PolarHBondContact O-N 2.87Å; A171-F181 HydrophobicContact CB-CD2 3.66Å; A171-F181 HydrophobicContact CB-CE2 3.76Å; A171-F245 HydrophobicContact CB-CZ 4.35Å
172	Y	98.6	Very high	97.9	Very high	60 Å²	60	42.7 Å²	42.7	24%	0.235	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-41.5	175.2	-172.1	-92.6	0	0	0	112.2	V168 S169 E170 G244 F245 K265	V168-Y172 PolarHBondContact O-N 2.77Å; S169-Y172 WeakPolarHBondContact O-CB 3.4Å; S169-Y172 PolarHBondContact O-N 3.25Å; E170-Y172 VanDerWaalsContact C-N 3.32Å; E170-Y172 PolarHBondContact O-N 3.01Å; Y172-G244 WeakPolarHBondContact CE2-O 3.29Å; Y172-F245 HydrophobicContact CD2-CD1 4.08Å; Y172-F245 AromaticContact CD2-CD2 3.97Å; Y172-F245 HydrophobicContact CD2-CD2 3.97Å; Y172-F245 HydrophobicContact CD2-CE1 4.01Å; Y172-F245 AromaticContact CD2-CE2 3.92Å; Y172-F245 HydrophobicContact CD2-CE2 3.92Å; Y172-F245 HydrophobicContact CD2-CG 4.05Å; Y172-F245 AromaticContact CD2-CZ 3.95Å; Y172-F245 HydrophobicContact CD2-CZ 3.95Å; Y172-F245 HydrophobicContact CG-CE2 4.31Å; Y172-F245 HydrophobicContact CG-CZ 4.38Å; Y172-K265 HydrophobicContact CD1-CD 4.37Å; Y172-K265 HydrophobicContact CD2-CB 4.19Å; Y172-K265 HydrophobicContact CD2-CD 4.24Å; Y172-K265 HydrophobicContact CD2-CG 4.2Å; Y172-K265 HydrophobicContact CE1-CD 4.14Å; Y172-K265 HydrophobicContact CE1-CG 4.39Å; Y172-K265 HydrophobicContact CE2-CB 3.85Å; Y172-K265 HydrophobicContact CE2-CD 4Å; Y172-K265 HydrophobicContact CE2-CG 3.59Å; Y172-K265 HydrophobicContact CG-CD 4.43Å; Y172-K265 VanDerWaalsContact O-CD 3.31Å; Y172-K265 WeakPolarHBondContact O-CD 3.4Å; Y172-K265 PolarHBondContact O-NZ 2.88Å
173	R	98.3	Very high	98.1	Very high	57 Å²	57	41.9 Å²	41.9	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-50.5	-179.6	-173.9	-177.7	65.2	74.5	-0.5	111.9	L142 F144 D146 N147 S169 E170 A171 L175	L142-R173 PolarHBondContact O-NH2 3.37Å; F144-R173 PolarHBondContact O-NH1 3.28Å; F144-R173 PolarHBondContact O-NH2 3.03Å; D146-R173 WeakPolarHBondContact CA-O 3.28Å; D146-R173 HydrophobicContact CB-CG 4.37Å; D146-R173 VanDerWaalsContact OD1-CD 3.24Å; D146-R173 WeakPolarHBondContact OD1-CD 3.5Å; D146-R173 WeakPolarHBondContact OD1-CG 3.46Å; D146-R173 IonicContact OD1-CZ 2.66Å; D146-R173 IonicContact OD1-NE 3.58Å; D146-R173 IonicContact OD1-NH1 3.65Å; D146-R173 PolarHBondContact OD1-NH1 3.46Å; N147-R173 PolarHBondContact N-O 3.23Å; S169-R173 WeakPolarHBondContact O-CB 3.46Å; S169-R173 PolarHBondContact O-N 3.17Å; E170-R173 WeakPolarHBondContact O-CB 3.43Å; E170-R173 PolarHBondContact O-N 2.6Å; E170-R173 IonicContact OE1-CZ 2.77Å; E170-R173 IonicContact OE1-NE 3.06Å; E170-R173 PolarHBondContact OE1-NE 3.31Å; E170-R173 IonicContact OE1-NH2 3.44Å; E170-R173 IonicContact OE2-CZ 3.7Å; E170-R173 IonicContact OE2-NE 3.91Å; E170-R173 PolarHBondContact OE2-NE 2.88Å; E170-R173 IonicContact OE2-NH2 2.79Å; E170-R173 PolarHBondContact OE2-NH2 3.12Å; A171-R173 VanDerWaalsContact C-N 3.35Å; A171-R173 PolarHBondContact O-N 2.76Å; R173-L175 VanDerWaalsContact C-N 3.33Å; R173-L175 PolarHBondContact O-N 2.95Å
174	V	98.7	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-75.8	-19.9	-175.2	-57.3	0	0	0	0	113.4	L70 L142 F144 N147 S148 F149 Y152 E170	L70-V174 HydrophobicContact CD2-CG2 3.91Å; L142-V174 HydrophobicContact CB-CG1 4.13Å; L142-V174 HydrophobicContact CD1-CG1 3.95Å; L142-V174 HydrophobicContact CD1-CG2 4.04Å; F144-V174 HydrophobicContact CB-CG1 4.04Å; N147-V174 CarbonylContact C-O 3.54Å; S148-V174 PolarHBondContact N-O 3.41Å; F149-V174 HydrophobicContact CD2-CB 4.21Å; F149-V174 HydrophobicContact CD2-CG2 4.35Å; F149-V174 PolarHBondContact N-O 3.13Å; Y152-V174 HydrophobicContact CD2-CG2 3.93Å; Y152-V174 HydrophobicContact CE2-CG2 4.28Å; E170-V174 WeakPolarHBondContact O-CG1 3.33Å; E170-V174 WeakPolarHBondContact O-CG2 3.49Å; E170-V174 PolarHBondContact O-N 3.47Å
175	L	98.8	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	140.8	174.3	-79.3	172.6	0	0	0	111.9	N147 F149 A171 R173 F181 F245 K265	N147-L175 PolarHBondContact OD1-O 3.17Å; F149-L175 CarbonylContact O-C 3.58Å; F149-L175 WeakPolarHBondContact O-CA 3.41Å; A171-L175 WeakPolarHBondContact O-CB 3.4Å; A171-L175 WeakPolarHBondContact O-CD1 3.28Å; A171-L175 WeakPolarHBondContact O-CG 3.44Å; A171-L175 PolarHBondContact O-N 2.87Å; R173-L175 VanDerWaalsContact C-N 3.33Å; R173-L175 PolarHBondContact O-N 2.95Å; L175-F181 HydrophobicContact CD1-CB 4.06Å; L175-F245 HydrophobicContact CD1-CE1 3.62Å; L175-F245 HydrophobicContact CD1-CZ 3.88Å; L175-K265 HydrophobicContact CB-CD 4.26Å; L175-K265 VanDerWaalsContact O-CD 3.29Å; L175-K265 WeakPolarHBondContact O-CD 3.42Å; L175-K265 WeakPolarHBondContact O-CE 3.31Å; L175-K265 PolarHBondContact O-NZ 3.07Å
176	R	98.1	Very high	98.1	Very high	89 Å²	89	33.7 Å²	33.7	34%	0.336	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	164.2	170.2	-73.9	167.7	173.3	179.2	-1.3	111.7	N147 F149 D150 W178 G179	N147-R176 HydrophobicContact CB-CB 4.49Å; N147-R176 HydrophobicContact CB-CG 3.93Å; N147-R176 WeakPolarHBondContact O-CG 3.37Å; N147-R176 PolarHBondContact O-NE 3.17Å; N147-R176 VanDerWaalsContact O-NE 3.09Å; F149-R176 PolarHBondContact O-N 3.29Å; D150-R176 WeakPolarHBondContact OD1-CD 3.45Å; D150-R176 IonicContact OD1-CZ 3.18Å; D150-R176 IonicContact OD1-NE 3.99Å; D150-R176 IonicContact OD1-NH1 3.86Å; D150-R176 PolarHBondContact OD1-NH1 3.07Å; D150-R176 IonicContact OD2-NH1 3.07Å; R176-W178 PolarHBondContact O-N 2.88Å; R176-G179 VanDerWaalsContact O-CA 3.31Å; R176-G179 WeakPolarHBondContact O-CA 3.45Å; R176-G179 PolarHBondContact O-N 2.89Å
177	P	97.6	Very high	97.8	Very high	62 Å²	62	29.6 Å²	29.6	40%	0.403	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	134.7	161.1	-26.1	36.2	0	0	0	110.8	G179 P267	P177-G179 PolarHBondContact O-N 3Å; P177-P267 HydrophobicContact CB-CB 4.11Å; P177-P267 HydrophobicContact CB-CG 4.04Å
178	W	96.7	Very high	97.4	Very high	166 Å²	166	33.6 Å²	33.6	63%	0.629	15%	0.148	S	C	*	.	E	Extended strand (participates in β ladder)	trans	65.5	8	-168.8	-54.8	112.8	0	0	0	115.9	R176 Y264 K265 T266 P267	R176-W178 PolarHBondContact O-N 2.88Å; W178-Y264 HydrophobicContact CE3-CD2 4.07Å; W178-Y264 HydrophobicContact CE3-CE2 4.31Å; W178-Y264 HydrophobicContact CZ3-CD2 4.02Å; W178-Y264 AromaticContact CZ3-CE2 3.78Å; W178-Y264 HydrophobicContact CZ3-CE2 3.78Å; W178-K265 VanDerWaalsContact CA-O 3.23Å; W178-K265 WeakPolarHBondContact CA-O 3.23Å; W178-K265 PolarHBondContact N-O 2.63Å; W178-T266 HydrophobicContact CH2-CG2 4.48Å; W178-T266 HydrophobicContact CZ3-CG2 4.27Å; W178-P267 HydrophobicContact CD2-CG 4.29Å; W178-P267 VanDerWaalsContact CE2-CD 3.5Å; W178-P267 HydrophobicContact CZ2-CG 3.83Å; W178-P267 VanDerWaalsContact NE1-CG 3.31Å
179	G	98.2	Very high	96.7	Very high	2 Å²	2	34 Å²	34	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144	173.8	0	0	0	0	0	111.6	D150 R176 P177 Y264 K265	D150-G179 CarbonylContact O-C 3.55Å; D150-G179 WeakPolarHBondContact O-CA 3.43Å; R176-G179 VanDerWaalsContact O-CA 3.31Å; R176-G179 WeakPolarHBondContact O-CA 3.45Å; R176-G179 PolarHBondContact O-N 2.89Å; P177-G179 PolarHBondContact O-N 3Å; G179-Y264 CarbonylContact O-C 3.59Å; G179-Y264 VanDerWaalsContact O-CA 3.3Å; G179-Y264 WeakPolarHBondContact O-CA 3.42Å; G179-K265 PolarHBondContact O-N 3.37Å
180	R	98.5	Very high	95.8	Very high	63 Å²	63	37.5 Å²	37.5	24%	0.238	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.7	-174	-62.6	-179.5	-72.5	156.4	-5.6	111.3	I61 D150 V151 Y152 Y182	I61-R180 PolarHBondContact O-NH1 3.43Å; I61-R180 PolarHBondContact O-NH2 2.86Å; D150-R180 PolarHBondContact O-N 2.81Å; V151-R180 WeakPolarHBondContact CA-O 3.38Å; Y152-R180 PolarHBondContact N-O 3.22Å; R180-Y182 HydrophobicContact CB-CD2 4.2Å; R180-Y182 HydrophobicContact CB-CE2 3.55Å; R180-Y182 HydrophobicContact CG-CE2 4.47Å; R180-Y182 PolarHBondContact NH1-OH 2.81Å
181	F	98.8	Very high	95	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.2	173.6	173	-99.3	0	0	0	110.1	Y152 I154 A171 L175 C183 I240 F245 M262 G263	Y152-F181 AromaticContact CD1-CD2 3.42Å; Y152-F181 HydrophobicContact CD1-CD2 3.42Å; Y152-F181 VanDerWaalsContact CD1-CD2 3.42Å; Y152-F181 AromaticContact CD1-CE2 3.55Å; Y152-F181 HydrophobicContact CD1-CE2 3.55Å; Y152-F181 AromaticContact CE1-CD2 3.99Å; Y152-F181 HydrophobicContact CE1-CD2 3.99Å; Y152-F181 AromaticContact CE1-CE2 3.62Å; Y152-F181 HydrophobicContact CE1-CE2 3.62Å; Y152-F181 HydrophobicContact CG-CD2 4.07Å; I154-F181 HydrophobicContact CG2-CE2 4.17Å; I154-F181 HydrophobicContact CG2-CZ 4.25Å; A171-F181 HydrophobicContact CB-CD2 3.66Å; A171-F181 HydrophobicContact CB-CE2 3.76Å; L175-F181 HydrophobicContact CD1-CB 4.06Å; F181-C183 HydrophobicContact CE1-CB 3.68Å; F181-C183 HydrophobicContact CZ-CB 3.63Å; F181-I240 HydrophobicContact CD1-CD1 4.42Å; F181-I240 HydrophobicContact CD1-CG2 4.36Å; F181-I240 HydrophobicContact CE1-CD1 3.81Å; F181-I240 HydrophobicContact CE1-CG1 4.05Å; F181-F245 HydrophobicContact CB-CD1 4.04Å; F181-F245 HydrophobicContact CB-CE1 3.41Å; F181-F245 VanDerWaalsContact CB-CE1 3.41Å; F181-F245 HydrophobicContact CB-CE2 4.4Å; F181-F245 HydrophobicContact CB-CZ 3.61Å; F181-F245 HydrophobicContact CD2-CZ 4.25Å; F181-F245 HydrophobicContact CG-CE1 4.26Å; F181-F245 HydrophobicContact CG-CE2 4.41Å; F181-F245 AromaticContact CG-CZ 4Å; F181-F245 HydrophobicContact CG-CZ 4Å; F181-M262 VanDerWaalsContact O-CA 3.25Å; F181-M262 WeakPolarHBondContact O-CA 3.29Å; F181-G263 PolarHBondContact N-O 3.32Å; F181-G263 PolarHBondContact O-N 2.8Å; F181-G263 VanDerWaalsContact O-N 3.14Å
182	Y	98.8	Very high	94.1	Very high	19 Å²	19	44.7 Å²	44.7	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	126.3	175	-67.7	-86.7	0	0	0	110.3	R60 I61 V151 Y152 T153 I154 R180 H261 M262	R60-Y182 HydrophobicContact CG-CE1 4.23Å; I61-Y182 HydrophobicContact CB-CE2 4.46Å; I61-Y182 HydrophobicContact CD1-CG 4.42Å; I61-Y182 HydrophobicContact CG1-CD1 4Å; I61-Y182 HydrophobicContact CG1-CD2 3.76Å; I61-Y182 HydrophobicContact CG1-CE1 4.28Å; I61-Y182 HydrophobicContact CG1-CE2 4.03Å; I61-Y182 HydrophobicContact CG1-CG 3.73Å; I61-Y182 HydrophobicContact CG2-CE2 4.39Å; V151-Y182 HydrophobicContact CG1-CD2 3.98Å; V151-Y182 HydrophobicContact CG1-CE2 4.24Å; Y152-Y182 PolarHBondContact O-N 2.77Å; T153-Y182 WeakPolarHBondContact CA-O 3.37Å; I154-Y182 PolarHBondContact N-O 2.99Å; R180-Y182 HydrophobicContact CB-CD2 4.2Å; R180-Y182 HydrophobicContact CB-CE2 3.55Å; R180-Y182 HydrophobicContact CG-CE2 4.47Å; R180-Y182 PolarHBondContact NH1-OH 2.81Å; Y182-H261 WeakPolarHBondContact CA-O 3.37Å; Y182-M262 HydrophobicContact CD1-CB 3.84Å; Y182-M262 HydrophobicContact CE1-CB 3.9Å
183	C	98.8	Very high	93.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.7	177.4	178.6	0	0	0	0	110.3	I154 F181 F236 V260 H261	I154-C183 HydrophobicContact CG2-CB 3.84Å; I154-C183 CarbonylContact O-C 3.54Å; I154-C183 VanDerWaalsContact O-CA 3.31Å; I154-C183 WeakPolarHBondContact O-CA 3.18Å; F181-C183 HydrophobicContact CE1-CB 3.68Å; F181-C183 HydrophobicContact CZ-CB 3.63Å; C183-F236 HydrophobicContact CB-CE1 3.97Å; C183-F236 HydrophobicContact CB-CZ 4.3Å; C183-V260 CarbonylContact O-C 3.58Å; C183-V260 VanDerWaalsContact O-CA 3.32Å; C183-V260 WeakPolarHBondContact O-CA 3.1Å; C183-H261 HydrophobicContact CB-CB 4.39Å; C183-H261 PolarHBondContact N-O 2.71Å; C183-H261 PolarHBondContact O-N 2.81Å
184	L	98.5	Very high	92.3	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.4	171.2	179	71.7	0	0	0	108.3	K54 F57 I154 A155 F156 Y253 V258 V260	K54-L184 HydrophobicContact CG-CD2 3.93Å; F57-L184 HydrophobicContact CB-CD1 4.29Å; F57-L184 HydrophobicContact CB-CD2 4.02Å; F57-L184 HydrophobicContact CD1-CB 4.3Å; F57-L184 HydrophobicContact CD1-CD2 4.39Å; F57-L184 HydrophobicContact CD2-CB 3.68Å; F57-L184 HydrophobicContact CD2-CD1 4.39Å; F57-L184 HydrophobicContact CD2-CG 4.46Å; F57-L184 HydrophobicContact CE1-CB 4.38Å; F57-L184 HydrophobicContact CE2-CB 3.74Å; F57-L184 HydrophobicContact CG-CB 3.94Å; F57-L184 HydrophobicContact CG-CD2 4.13Å; F57-L184 HydrophobicContact CG-CG 4.44Å; F57-L184 HydrophobicContact CZ-CB 4.1Å; I154-L184 PolarHBondContact O-N 3.36Å; A155-L184 CarbonylContact C-O 3.6Å; A155-L184 WeakPolarHBondContact CA-O 3.11Å; A155-L184 HydrophobicContact CB-CB 4.06Å; A155-L184 HydrophobicContact CB-CD2 4.24Å; F156-L184 HydrophobicContact CD2-CD2 4.25Å; F156-L184 HydrophobicContact CE1-CG 4.29Å; F156-L184 HydrophobicContact CE2-CD2 3.48Å; F156-L184 VanDerWaalsContact CE2-CD2 3.48Å; F156-L184 HydrophobicContact CE2-CG 3.99Å; F156-L184 HydrophobicContact CZ-CD1 4.49Å; F156-L184 HydrophobicContact CZ-CD2 3.71Å; F156-L184 HydrophobicContact CZ-CG 3.79Å; F156-L184 PolarHBondContact N-O 3.07Å; L184-Y253 HydrophobicContact CD1-CD2 4.34Å; L184-Y253 HydrophobicContact CD1-CE2 4.3Å; L184-V258 HydrophobicContact CD1-CG1 3.34Å; L184-V258 HydrophobicContact CG-CG1 4.03Å; L184-V260 HydrophobicContact CD1-CG2 3.47Å; L184-V260 VanDerWaalsContact CD1-CG2 3.47Å
185	E	97.4	Very high	91.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.9	-177.9	-167.9	50.4	-83.1	0	0	112	F156 G157 I158 R159 F230 V258 S259	F156-E185 WeakPolarHBondContact CA-OE2 3.49Å; G157-E185 PolarHBondContact N-OE2 2.81Å; I158-E185 HydrophobicContact CG2-CB 4.39Å; I158-E185 HydrophobicContact CG2-CG 4.01Å; R159-E185 WeakPolarHBondContact CG-OE2 3.38Å; R159-E185 IonicContact CZ-OE1 2.6Å; R159-E185 PolarHBondContact N-OE2 3.47Å; R159-E185 VanDerWaalsContact NH1-CD 3.32Å; R159-E185 IonicContact NH1-OE1 3.53Å; R159-E185 PolarHBondContact NH1-OE1 2.82Å; R159-E185 IonicContact NH1-OE2 3.01Å; R159-E185 PolarHBondContact NH1-OE2 3.06Å; E185-F230 HydrophobicContact CB-CE1 4.1Å; E185-F230 HydrophobicContact CB-CZ 4.42Å; E185-F230 HydrophobicContact CG-CD1 3.83Å; E185-F230 HydrophobicContact CG-CE1 3.53Å; E185-F230 HydrophobicContact CG-CE2 4.32Å; E185-F230 HydrophobicContact CG-CG 4.34Å; E185-F230 HydrophobicContact CG-CZ 3.81Å; E185-V258 CarbonylContact O-C 3.3Å; E185-V258 WeakPolarHBondContact O-CA 3.46Å; E185-V258 WeakPolarHBondContact O-CG1 3.32Å; E185-S259 PolarHBondContact N-O 2.89Å; E185-S259 PolarHBondContact O-N 3.49Å
186	F	93.7	Very high	90.7	Very high	33 Å²	33	63 Å²	63	15%	0.145	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	142.6	168.7	-67	-71.9	0	0	0	110.4	W53 F156 I227 I257 V258	W53-F186 HydrophobicContact CZ3-CE1 4.19Å; F156-F186 AromaticContact CD1-CD2 3.72Å; F156-F186 HydrophobicContact CD1-CD2 3.72Å; F156-F186 AromaticContact CD1-CE2 3.58Å; F156-F186 HydrophobicContact CD1-CE2 3.58Å; F156-F186 HydrophobicContact CD1-CG 4.37Å; F156-F186 HydrophobicContact CD1-CZ 4.1Å; F156-F186 HydrophobicContact CE1-CD1 4.38Å; F156-F186 HydrophobicContact CE1-CD2 4.06Å; F156-F186 HydrophobicContact CE1-CE1 4.2Å; F156-F186 AromaticContact CE1-CE2 3.88Å; F156-F186 HydrophobicContact CE1-CE2 3.88Å; F156-F186 HydrophobicContact CE1-CG 4.3Å; F156-F186 AromaticContact CE1-CZ 3.95Å; F156-F186 HydrophobicContact CE1-CZ 3.95Å; F156-F186 HydrophobicContact CG-CE2 4.41Å; F186-I227 HydrophobicContact CB-CB 4.39Å; F186-I227 HydrophobicContact CB-CD1 4.22Å; F186-I227 HydrophobicContact CB-CG1 3.84Å; F186-I227 HydrophobicContact CB-CG2 3.79Å; F186-I227 HydrophobicContact CD1-CD1 4.34Å; F186-I227 HydrophobicContact CD2-CD1 3.73Å; F186-I227 HydrophobicContact CD2-CG1 3.82Å; F186-I227 HydrophobicContact CE2-CD1 4.15Å; F186-I227 HydrophobicContact CG-CD1 3.84Å; F186-I227 HydrophobicContact CG-CG1 3.94Å; F186-I257 VanDerWaalsContact CA-O 3.32Å; F186-I257 WeakPolarHBondContact CA-O 3.31Å; F186-I257 HydrophobicContact CD1-CG2 4.25Å; F186-I257 HydrophobicContact CE1-CG2 4.48Å; F186-V258 HydrophobicContact CD1-CG2 3.69Å; F186-V258 HydrophobicContact CE1-CG2 3.86Å
187	S	91.6	Very high	89.8	Confident	5 Å²	5	63.9 Å²	63.9	4%	0.035	30%	0.296	C	S	.	.			trans	-139.3	-164.7	180	-155	0	0	0	0	111.7	Q233 G256 I257 S259	S187-Q233 VanDerWaalsContact OG-CG 3.31Å; S187-Q233 WeakPolarHBondContact OG-CG 3.46Å; S187-Q233 PolarHBondContact OG-N 3.06Å; S187-Q233 PolarHBondContact OG-NE2 2.94Å; S187-Q233 PolarHBondContact OG-OE1 2.87Å; S187-G256 CarbonylContact C-O 3.58Å; S187-G256 VanDerWaalsContact C-O 3.31Å; S187-I257 PolarHBondContact N-O 3.29Å; S187-S259 WeakPolarHBondContact CB-OG 3.46Å
188	K	89	Confident	89.1	Confident	84 Å²	84	62.9 Å²	62.9	37%	0.365	28%	0.284	S	S	.	.			trans	-93.3	126.7	-176.9	-58.5	-171.3	-154.1	145.9	0	109.9	E190 D232 Q233 E235 G256	K188-E190 PolarHBondContact O-N 2.88Å; K188-D232 HydrophobicContact CB-CB 4.18Å; K188-D232 HydrophobicContact CD-CB 3.62Å; K188-D232 HydrophobicContact CG-CB 3.82Å; K188-D232 IonicContact NZ-OD2 2.68Å; K188-D232 PolarHBondContact NZ-OD2 3.22Å; K188-Q233 PolarHBondContact O-NE2 3.14Å; K188-E235 IonicContact NZ-OE2 3.55Å; K188-E235 PolarHBondContact NZ-OE2 3.4Å; K188-G256 CarbonylContact C-O 3.52Å; K188-G256 VanDerWaalsContact C-O 3.3Å
189	V	85.3	Confident	88.4	Confident	9 Å²	9	57.6 Å²	57.6	6%	0.055	27%	0.269	C	S	.	.			trans	-63.6	126.4	176.1	179.9	0	0	0	0	110.3	F194 R195 Y198 N255 I257	V189-F194 HydrophobicContact CG1-CB 3.75Å; V189-R195 HydrophobicContact CB-CB 4.06Å; V189-R195 HydrophobicContact CB-CG 4.48Å; V189-R195 HydrophobicContact CG1-CB 4.13Å; V189-Y198 HydrophobicContact CG2-CD1 3.96Å; V189-Y198 HydrophobicContact CG2-CG 4.17Å; V189-N255 WeakPolarHBondContact CG1-O 3.36Å; V189-I257 HydrophobicContact CG2-CG1 3.67Å
190	E	79.1	Confident	87.6	Confident	120 Å²	120	59.6 Å²	59.6	56%	0.561	29%	0.285	S	S	*	.	S	Bend	trans	-70.8	-45.8	-175.1	-63.8	176.1	160.9	0	0	112.3	K188 N252 N255	K188-E190 PolarHBondContact O-N 2.88Å; E190-N252 PolarHBondContact OE1-ND2 2.93Å; E190-N255 PolarHBondContact N-O 2.94Å
191	N	81.4	Confident	86.9	Confident	71 Å²	71	58.8 Å²	58.8	38%	0.38	28%	0.282	S	S	.	.	S	Bend	trans	-80	126.6	-174.1	-175.9	-61.9	0	0	0	111.5	L193 F194 R195 N255	N191-L193 VanDerWaalsContact C-N 3.32Å; N191-L193 PolarHBondContact O-N 3.35Å; N191-L193 WeakPolarHBondContact OD1-CB 3.23Å; N191-L193 PolarHBondContact OD1-N 2.98Å; N191-F194 HydrophobicContact CB-CB 4.31Å; N191-F194 HydrophobicContact CB-CD2 3.93Å; N191-F194 PolarHBondContact O-N 2.81Å; N191-F194 PolarHBondContact OD1-N 3.44Å; N191-R195 VanDerWaalsContact O-CB 3.28Å; N191-R195 WeakPolarHBondContact O-CB 3.38Å; N191-R195 PolarHBondContact O-N 3.33Å; N191-N255 WeakPolarHBondContact CB-ND2 3.39Å; N191-N255 PolarHBondContact N-ND2 3.29Å
192	N	79.8	Confident	86.1	Confident	99 Å²	99	59 Å²	59	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-56	-38	-178.1	-76.8	-29.6	0	0	0	115	R195 K196	N192-R195 PolarHBondContact OD1-NH2 3.04Å; N192-K196 WeakPolarHBondContact O-CG 3.47Å; N192-K196 PolarHBondContact O-N 2.85Å
193	L	80.4	Confident	85.1	Confident	114 Å²	114	63 Å²	63	60%	0.597	30%	0.304	S	S	*	.	H	α-helix	trans	-71.2	-50.4	179.9	178.9	61.1	0	0	0	110.7	N191 R195 K196 L197	N191-L193 VanDerWaalsContact C-N 3.32Å; N191-L193 PolarHBondContact O-N 3.35Å; N191-L193 WeakPolarHBondContact OD1-CB 3.23Å; N191-L193 PolarHBondContact OD1-N 2.98Å; L193-R195 VanDerWaalsContact C-N 3.27Å; L193-R195 PolarHBondContact O-N 3.48Å; L193-K196 PolarHBondContact O-N 2.86Å; L193-L197 PolarHBondContact O-N 2.89Å
194	F	78.9	Confident	84.3	Confident	114 Å²	114	69.3 Å²	69.3	50%	0.5	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-37.8	176.6	-77.7	-79.5	0	0	0	111.8	V189 N191 K196 L197 Y198	V189-F194 HydrophobicContact CG1-CB 3.75Å; N191-F194 HydrophobicContact CB-CB 4.31Å; N191-F194 HydrophobicContact CB-CD2 3.93Å; N191-F194 PolarHBondContact O-N 2.81Å; N191-F194 PolarHBondContact OD1-N 3.44Å; F194-K196 VanDerWaalsContact C-N 3.34Å; F194-K196 PolarHBondContact O-N 3.12Å; F194-L197 PolarHBondContact O-N 3.41Å; F194-Y198 VanDerWaalsContact O-CB 3.27Å; F194-Y198 WeakPolarHBondContact O-CB 3.49Å; F194-Y198 PolarHBondContact O-N 2.9Å
195	R	82.2	Confident	83.5	Confident	115 Å²	115	73.3 Å²	73.3	43%	0.434	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-42.1	176	-176	170.1	64.7	171.6	1.7	112.1	V189 N191 N192 L193 N199	V189-R195 HydrophobicContact CB-CB 4.06Å; V189-R195 HydrophobicContact CB-CG 4.48Å; V189-R195 HydrophobicContact CG1-CB 4.13Å; N191-R195 VanDerWaalsContact O-CB 3.28Å; N191-R195 WeakPolarHBondContact O-CB 3.38Å; N191-R195 PolarHBondContact O-N 3.33Å; N192-R195 PolarHBondContact OD1-NH2 3.04Å; L193-R195 VanDerWaalsContact C-N 3.27Å; L193-R195 PolarHBondContact O-N 3.48Å; R195-N199 WeakPolarHBondContact O-CB 3.32Å; R195-N199 PolarHBondContact O-N 3.36Å; R195-N199 PolarHBondContact O-ND2 2.87Å; R195-N199 VanDerWaalsContact O-ND2 3.16Å
196	K	81.2	Confident	82.9	Confident	157 Å²	157	73.8 Å²	73.8	68%	0.683	36%	0.357	S	S	*	.	H	α-helix	trans	-64.6	-45.5	176.3	-74.2	179.9	179.8	-178.3	0	111.7	N192 L193 F194 N199 A200	N192-K196 WeakPolarHBondContact O-CG 3.47Å; N192-K196 PolarHBondContact O-N 2.85Å; L193-K196 PolarHBondContact O-N 2.86Å; F194-K196 VanDerWaalsContact C-N 3.34Å; F194-K196 PolarHBondContact O-N 3.12Å; K196-N199 PolarHBondContact O-N 2.91Å; K196-A200 PolarHBondContact O-N 3.43Å
197	L	81	Confident	82.4	Confident	109 Å²	109	72.5 Å²	72.5	57%	0.571	35%	0.352	S	S	*	.	H	α-helix	trans	-63.9	-47.1	178.1	-67.6	174.2	0	0	0	111.7	L193 F194 N199 A200 Y201	L193-L197 PolarHBondContact O-N 2.89Å; F194-L197 PolarHBondContact O-N 3.41Å; L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 2.98Å; L197-A200 PolarHBondContact O-N 3.44Å; L197-Y201 WeakPolarHBondContact O-CB 3.14Å; L197-Y201 PolarHBondContact O-N 2.84Å
198	Y	82.1	Confident	82.1	Confident	40 Å²	40	75.6 Å²	75.6	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-62	-39	176.6	-179.2	-106.4	0	0	0	111.8	V189 F194 Y201 S202 I257	V189-Y198 HydrophobicContact CG2-CD1 3.96Å; V189-Y198 HydrophobicContact CG2-CG 4.17Å; F194-Y198 VanDerWaalsContact O-CB 3.27Å; F194-Y198 WeakPolarHBondContact O-CB 3.49Å; F194-Y198 PolarHBondContact O-N 2.9Å; Y198-Y201 PolarHBondContact O-N 3.49Å; Y198-S202 VanDerWaalsContact O-CB 3.27Å; Y198-S202 WeakPolarHBondContact O-CB 3.31Å; Y198-S202 PolarHBondContact O-N 3.19Å; Y198-S202 PolarHBondContact O-OG 3.19Å; Y198-I257 HydrophobicContact CD2-CD1 4.23Å; Y198-I257 HydrophobicContact CD2-CG1 4.34Å; Y198-I257 HydrophobicContact CE2-CD1 4.49Å; Y198-I257 HydrophobicContact CE2-CG1 4.44Å; Y198-I257 HydrophobicContact CE2-CG2 3.94Å
199	N	82.3	Confident	82	Confident	56 Å²	56	73.4 Å²	73.4	30%	0.299	36%	0.362	S	S	.	.	H	α-helix	trans	-64.5	-41.3	175.2	-81.8	-28.8	0	0	0	112.7	R195 K196 L197 S202 M203 R228	R195-N199 WeakPolarHBondContact O-CB 3.32Å; R195-N199 PolarHBondContact O-N 3.36Å; R195-N199 PolarHBondContact O-ND2 2.87Å; R195-N199 VanDerWaalsContact O-ND2 3.16Å; K196-N199 PolarHBondContact O-N 2.91Å; L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 2.98Å; N199-S202 WeakPolarHBondContact CA-OG 3.49Å; N199-S202 PolarHBondContact O-OG 3.4Å; N199-M203 WeakPolarHBondContact O-CB 3.47Å; N199-M203 PolarHBondContact O-N 2.97Å; N199-M203 VanDerWaalsContact O-N 3.07Å; N199-R228 PolarHBondContact OD1-NH2 3.45Å; N199-R228 VanDerWaalsContact OD1-NH2 3.1Å
200	A	81.9	Confident	82	Confident	44 Å²	44	73 Å²	73	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-65.3	-48.4	175.6	0	0	0	0	0	111	K196 L197 Q204	K196-A200 PolarHBondContact O-N 3.43Å; L197-A200 PolarHBondContact O-N 3.44Å; A200-Q204 VanDerWaalsContact O-CB 3.3Å; A200-Q204 WeakPolarHBondContact O-CB 3.41Å; A200-Q204 PolarHBondContact O-N 3.43Å
201	Y	83	Confident	82.5	Confident	46 Å²	46	71.6 Å²	71.6	18%	0.18	35%	0.353	C	S	.	.	I	π-helix	trans	-57.2	-53	176.5	174.4	-99	0	0	0	111.8	M45 F47 L197 Y198 M203 L205 I206	M45-Y201 PolarHBondContact O-OH 3.31Å; F47-Y201 AromaticContact CE2-CE2 3.99Å; F47-Y201 HydrophobicContact CE2-CE2 3.99Å; F47-Y201 AromaticContact CE2-CZ 3.87Å; F47-Y201 WeakPolarHBondContact CE2-OH 3.46Å; F47-Y201 HydrophobicContact CZ-CE2 4.21Å; L197-Y201 WeakPolarHBondContact O-CB 3.14Å; L197-Y201 PolarHBondContact O-N 2.84Å; Y198-Y201 PolarHBondContact O-N 3.49Å; Y201-M203 PolarHBondContact O-N 2.77Å; Y201-L205 HydrophobicContact CD2-CB 4.06Å; Y201-L205 HydrophobicContact CD2-CD1 3.54Å; Y201-L205 HydrophobicContact CD2-CG 4.38Å; Y201-L205 HydrophobicContact CE2-CB 4.21Å; Y201-L205 HydrophobicContact CE2-CD1 4.11Å; Y201-L205 HydrophobicContact CG-CD1 4.46Å; Y201-L205 WeakPolarHBondContact O-CA 3.45Å; Y201-L205 VanDerWaalsContact O-CB 3.29Å; Y201-L205 WeakPolarHBondContact O-CB 3.33Å; Y201-L205 PolarHBondContact O-N 3.07Å; Y201-I206 HydrophobicContact CD1-CD1 4.15Å; Y201-I206 HydrophobicContact CD1-CG1 4.18Å; Y201-I206 HydrophobicContact CE1-CD1 3.8Å; Y201-I206 HydrophobicContact CE1-CG1 3.73Å; Y201-I206 PolarHBondContact O-N 3.37Å
202	S	82.3	Confident	82.6	Confident	3 Å²	3	74.9 Å²	74.9	2%	0.021	37%	0.37	C	S	.	.	I	π-helix	trans	-64.5	-42.1	-176.7	55.4	0	0	0	0	112.6	Y198 N199 I206 P207 V224	Y198-S202 VanDerWaalsContact O-CB 3.27Å; Y198-S202 WeakPolarHBondContact O-CB 3.31Å; Y198-S202 PolarHBondContact O-N 3.19Å; Y198-S202 PolarHBondContact O-OG 3.19Å; N199-S202 WeakPolarHBondContact CA-OG 3.49Å; N199-S202 PolarHBondContact O-OG 3.4Å; S202-I206 WeakPolarHBondContact O-CB 3.48Å; S202-P207 VanDerWaalsContact O-CD 3.25Å; S202-P207 WeakPolarHBondContact O-CD 3.1Å; S202-V224 WeakPolarHBondContact O-CG2 3.25Å
203	M	78.2	Confident	82.9	Confident	104 Å²	104	72.9 Å²	72.9	51%	0.512	36%	0.361	S	S	.	.	I	π-helix	trans	-74.4	-38.6	-179.7	-81.7	176.4	48.5	0	0	114.5	N199 Y201 V224 R228	N199-M203 WeakPolarHBondContact O-CB 3.47Å; N199-M203 PolarHBondContact O-N 2.97Å; N199-M203 VanDerWaalsContact O-N 3.07Å; Y201-M203 PolarHBondContact O-N 2.77Å; M203-V224 HydrophobicContact CG-CG1 4.43Å; M203-R228 VanDerWaalsContact SD-CZ 3.56Å; M203-R228 PolarHBondContact SD-NH1 3.09Å; M203-R228 PolarHBondContact SD-NH2 3.46Å
204	Q	80.5	Confident	83.1	Confident	132 Å²	132	68.4 Å²	68.4	62%	0.617	34%	0.341	S	S	*	.	I	π-helix	trans	-99.8	-32.8	-167.1	-61	178.2	-7.6	0	0	112.1	A200 V208	A200-Q204 VanDerWaalsContact O-CB 3.3Å; A200-Q204 WeakPolarHBondContact O-CB 3.41Å; A200-Q204 PolarHBondContact O-N 3.43Å; Q204-V208 WeakPolarHBondContact O-CG2 3.31Å
205	L	83.1	Confident	83.5	Confident	85 Å²	85	65.3 Å²	65.3	45%	0.445	34%	0.341	S	S	.	.	I	π-helix	trans	-100.5	-44.6	-173.3	-62.3	173.6	0	0	0	112.2	Y201 V208 I209	Y201-L205 HydrophobicContact CD2-CB 4.06Å; Y201-L205 HydrophobicContact CD2-CD1 3.54Å; Y201-L205 HydrophobicContact CD2-CG 4.38Å; Y201-L205 HydrophobicContact CE2-CB 4.21Å; Y201-L205 HydrophobicContact CE2-CD1 4.11Å; Y201-L205 HydrophobicContact CG-CD1 4.46Å; Y201-L205 WeakPolarHBondContact O-CA 3.45Å; Y201-L205 VanDerWaalsContact O-CB 3.29Å; Y201-L205 WeakPolarHBondContact O-CB 3.33Å; Y201-L205 PolarHBondContact O-N 3.07Å; L205-V208 PolarHBondContact O-N 3.21Å; L205-V208 VanDerWaalsContact O-N 3.16Å; L205-I209 HydrophobicContact CB-CD1 4.21Å; L205-I209 WeakPolarHBondContact O-CB 3.44Å; L205-I209 VanDerWaalsContact O-CG1 3.23Å; L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 3.18Å
206	I	84.4	Confident	83.7	Confident	9 Å²	9	61 Å²	61	5%	0.046	33%	0.327	C	S	.	.	H	α-helix	trans	-57.9	-49.8	-176	-67.7	179	0	0	0	112.5	M45 Y201 S202 V208 I209 G210 Y220 L223 V224	M45-I206 HydrophobicContact CG-CG2 4.48Å; M45-I206 HydrophobicContact SD-CG2 3.77Å; Y201-I206 HydrophobicContact CD1-CD1 4.15Å; Y201-I206 HydrophobicContact CD1-CG1 4.18Å; Y201-I206 HydrophobicContact CE1-CD1 3.8Å; Y201-I206 HydrophobicContact CE1-CG1 3.73Å; Y201-I206 PolarHBondContact O-N 3.37Å; S202-I206 WeakPolarHBondContact O-CB 3.48Å; I206-V208 VanDerWaalsContact C-N 3.31Å; I206-V208 PolarHBondContact O-N 3.14Å; I206-I209 PolarHBondContact O-N 2.82Å; I206-G210 PolarHBondContact O-N 2.76Å; I206-Y220 HydrophobicContact CG2-CD1 4.23Å; I206-L223 HydrophobicContact CG2-CD2 4.45Å; I206-V224 HydrophobicContact CB-CG2 4Å; I206-V224 HydrophobicContact CD1-CG2 4.27Å; I206-V224 HydrophobicContact CG2-CG2 3.82Å
207	P	83.6	Confident	84.1	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-35.4	177.7	-25.2	35.9	0	0	0	113.6	S202 G210 Q211 W217	S202-P207 VanDerWaalsContact O-CD 3.25Å; S202-P207 WeakPolarHBondContact O-CD 3.1Å; P207-G210 PolarHBondContact O-N 3Å; P207-Q211 PolarHBondContact O-N 3.39Å; P207-W217 HydrophobicContact CB-CD2 4.43Å; P207-W217 HydrophobicContact CB-CG 4.22Å; P207-W217 VanDerWaalsContact CB-NE1 3.3Å; P207-W217 VanDerWaalsContact O-CD1 3.29Å
208	V	85.3	Confident	84.5	Confident	70 Å²	70	58.6 Å²	58.6	42%	0.424	31%	0.314	S	S	.	.	H	α-helix	trans	-69.8	-45.9	178.8	174.8	0	0	0	0	110.9	Q204 L205 I206 G210 Q211 L212	Q204-V208 WeakPolarHBondContact O-CG2 3.31Å; L205-V208 PolarHBondContact O-N 3.21Å; L205-V208 VanDerWaalsContact O-N 3.16Å; I206-V208 VanDerWaalsContact C-N 3.31Å; I206-V208 PolarHBondContact O-N 3.14Å; V208-G210 VanDerWaalsContact C-N 3.26Å; V208-G210 PolarHBondContact O-N 2.76Å; V208-Q211 PolarHBondContact O-N 3.02Å; V208-Q211 VanDerWaalsContact O-N 3.16Å; V208-L212 HydrophobicContact CG1-CD1 3.95Å; V208-L212 HydrophobicContact CG1-CG 4.4Å; V208-L212 WeakPolarHBondContact O-CG 3.32Å; V208-L212 PolarHBondContact O-N 2.75Å
209	I	85.6	Confident	84.8	Confident	38 Å²	38	57 Å²	57	20%	0.195	31%	0.309	C	S	.	.	H	α-helix	trans	-59	-43.8	173.7	-66.9	166.3	0	0	0	109.7	M41 I44 L205 I206 Q211 L212 V213	M41-I209 HydrophobicContact CE-CG2 4.19Å; I44-I209 HydrophobicContact CG2-CG2 3.55Å; L205-I209 HydrophobicContact CB-CD1 4.21Å; L205-I209 WeakPolarHBondContact O-CB 3.44Å; L205-I209 VanDerWaalsContact O-CG1 3.23Å; L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 3.18Å; I206-I209 PolarHBondContact O-N 2.82Å; I209-Q211 VanDerWaalsContact C-N 3.35Å; I209-Q211 PolarHBondContact O-N 3.44Å; I209-L212 PolarHBondContact O-N 2.76Å; I209-V213 HydrophobicContact CG2-CG2 4.19Å; I209-V213 WeakPolarHBondContact O-CB 3.24Å; I209-V213 WeakPolarHBondContact O-CG2 3.4Å; I209-V213 PolarHBondContact O-N 2.85Å
210	G	85	Confident	85.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-53.5	-47.5	172.8	0	0	0	0	0	113.8	I206 P207 V208 A214 G215 D216 Y220	I206-G210 PolarHBondContact O-N 2.76Å; P207-G210 PolarHBondContact O-N 3Å; V208-G210 VanDerWaalsContact C-N 3.26Å; V208-G210 PolarHBondContact O-N 2.76Å; G210-A214 CarbonylContact O-C 3.6Å; G210-A214 WeakPolarHBondContact O-CA 3.48Å; G210-A214 VanDerWaalsContact O-CB 3.32Å; G210-A214 WeakPolarHBondContact O-CB 3.5Å; G210-A214 PolarHBondContact O-N 3.48Å; G210-G215 PolarHBondContact O-N 2.72Å; G210-D216 PolarHBondContact O-N 3.2Å; G210-Y220 VanDerWaalsContact CA-CE2 3.47Å
211	Q	90.1	Very high	85.5	Confident	92 Å²	92	56.3 Å²	56.3	43%	0.43	30%	0.295	S	S	.	.	I	π-helix	trans	-66.1	-41.6	176.6	-174.2	54.6	53.2	0	0	112.6	P207 V208 I209 G215 W217	P207-Q211 PolarHBondContact O-N 3.39Å; V208-Q211 PolarHBondContact O-N 3.02Å; V208-Q211 VanDerWaalsContact O-N 3.16Å; I209-Q211 VanDerWaalsContact C-N 3.35Å; I209-Q211 PolarHBondContact O-N 3.44Å; Q211-G215 WeakPolarHBondContact O-CA 3.46Å; Q211-G215 PolarHBondContact O-N 3.32Å; Q211-W217 HydrophobicContact CB-CB 4.06Å; Q211-W217 HydrophobicContact CG-CB 4.45Å; Q211-W217 VanDerWaalsContact OE1-CB 3.26Å
212	L	83.7	Confident	86	Confident	139 Å²	139	54.5 Å²	54.5	73%	0.728	29%	0.288	S	S	*	.	I	π-helix	trans	-73.3	-37.2	-175.8	-69	174.6	0	0	0	112.9	V208 I209	V208-L212 HydrophobicContact CG1-CD1 3.95Å; V208-L212 HydrophobicContact CG1-CG 4.4Å; V208-L212 WeakPolarHBondContact O-CG 3.32Å; V208-L212 PolarHBondContact O-N 2.75Å; I209-L212 PolarHBondContact O-N 2.76Å
213	V	85.7	Confident	86.4	Confident	57 Å²	57	55.5 Å²	55.5	35%	0.345	29%	0.293	S	S	.	.	I	π-helix	trans	-99.8	-45.2	-173.1	-177.7	0	0	0	0	112.2	K37 M41 I44 I209	K37-V213 PolarHBondContact NZ-O 3.08Å; M41-V213 HydrophobicContact SD-CB 3.85Å; M41-V213 HydrophobicContact SD-CG1 3.63Å; I44-V213 HydrophobicContact CD1-CG1 3.75Å; I44-V213 HydrophobicContact CD1-CG2 4.35Å; I209-V213 HydrophobicContact CG2-CG2 4.19Å; I209-V213 WeakPolarHBondContact O-CB 3.24Å; I209-V213 WeakPolarHBondContact O-CG2 3.4Å; I209-V213 PolarHBondContact O-N 2.85Å
214	A	85.1	Confident	86.9	Confident	21 Å²	21	50.9 Å²	50.9	17%	0.174	27%	0.271	C	S	.	.	I	π-helix	trans	-96.4	-19.3	-177.5	0	0	0	0	0	112.8	K37 M41 G210 D216 Y220	K37-A214 HydrophobicContact CD-CB 4.25Å; M41-A214 HydrophobicContact CG-CB 4.31Å; M41-A214 HydrophobicContact SD-CB 4.07Å; G210-A214 CarbonylContact O-C 3.6Å; G210-A214 WeakPolarHBondContact O-CA 3.48Å; G210-A214 VanDerWaalsContact O-CB 3.32Å; G210-A214 WeakPolarHBondContact O-CB 3.5Å; G210-A214 PolarHBondContact O-N 3.48Å; A214-D216 VanDerWaalsContact C-N 3.32Å; A214-Y220 HydrophobicContact CB-CE2 3.62Å; A214-Y220 WeakPolarHBondContact CB-OH 3.38Å
215	G	86.5	Confident	87.5	Confident	49 Å²	49	45.9 Å²	45.9	51%	0.505	25%	0.247	S	C	.	.	S	Bend	trans	79.1	14.6	-176.3	0	0	0	0	0	113.7	G210 Q211	G210-G215 PolarHBondContact O-N 2.72Å; Q211-G215 WeakPolarHBondContact O-CA 3.46Å; Q211-G215 PolarHBondContact O-N 3.32Å
216	D	87.6	Confident	88	Confident	23 Å²	23	42 Å²	42	12%	0.123	23%	0.227	C	C	.	.			trans	-135.5	75.5	-167.8	-172.6	-10.5	0	0	0	112.8	N33 G210 A214 N218 S219 Y220	N33-D216 WeakPolarHBondContact CB-OD2 3.47Å; G210-D216 PolarHBondContact O-N 3.2Å; A214-D216 VanDerWaalsContact C-N 3.32Å; D216-N218 PolarHBondContact O-N 2.88Å; D216-N218 PolarHBondContact OD1-N 2.96Å; D216-S219 VanDerWaalsContact CG-CB 3.44Å; D216-S219 WeakPolarHBondContact OD1-CB 3.45Å; D216-S219 PolarHBondContact OD1-N 3.44Å; D216-S219 PolarHBondContact OD1-OG 3.45Å; D216-S219 WeakPolarHBondContact OD2-CB 3.44Å; D216-S219 PolarHBondContact OD2-OG 2.99Å; D216-Y220 HydrophobicContact CB-CE2 4.44Å; D216-Y220 WeakPolarHBondContact O-CD2 3.22Å
217	W	88.9	Confident	88.3	Confident	103 Å²	103	42.3 Å²	42.3	39%	0.39	23%	0.228	S	C	.	.	H	α-helix	trans	-55.5	-36.5	177.5	-173.6	88.4	0	0	0	114.1	P207 Q211 Y220 K221	P207-W217 HydrophobicContact CB-CD2 4.43Å; P207-W217 HydrophobicContact CB-CG 4.22Å; P207-W217 VanDerWaalsContact CB-NE1 3.3Å; P207-W217 VanDerWaalsContact O-CD1 3.29Å; Q211-W217 HydrophobicContact CB-CB 4.06Å; Q211-W217 HydrophobicContact CG-CB 4.45Å; Q211-W217 VanDerWaalsContact OE1-CB 3.26Å; W217-Y220 PolarHBondContact O-N 2.89Å; W217-K221 HydrophobicContact CE3-CB 4.29Å; W217-K221 HydrophobicContact CE3-CD 4.15Å; W217-K221 HydrophobicContact CH2-CB 4.5Å; W217-K221 HydrophobicContact CH2-CD 3.3Å; W217-K221 HydrophobicContact CH2-CG 4.42Å; W217-K221 HydrophobicContact CZ2-CD 4.07Å; W217-K221 HydrophobicContact CZ3-CB 4.27Å; W217-K221 HydrophobicContact CZ3-CD 3.32Å; W217-K221 HydrophobicContact CZ3-CG 4.42Å; W217-K221 WeakPolarHBondContact O-CB 3.49Å; W217-K221 PolarHBondContact O-N 3.27Å
218	N	89	Confident	88.6	Confident	113 Å²	113	45.6 Å²	45.6	60%	0.604	24%	0.24	S	C	*	.	H	α-helix	trans	-68.5	-42.8	-172.1	-72.8	-44.2	0	0	0	112.2	D216 Y220 K221 Y222	D216-N218 PolarHBondContact O-N 2.88Å; D216-N218 PolarHBondContact OD1-N 2.96Å; N218-Y220 VanDerWaalsContact C-N 3.33Å; N218-Y220 PolarHBondContact O-N 3.24Å; N218-K221 PolarHBondContact O-N 3.19Å; N218-Y222 WeakPolarHBondContact O-CB 3.49Å; N218-Y222 PolarHBondContact O-N 3.09Å
219	S	89.6	Confident	89	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-37.8	177.9	-68.6	0	0	0	0	112.4	D216 Y222 L223	D216-S219 VanDerWaalsContact CG-CB 3.44Å; D216-S219 WeakPolarHBondContact OD1-CB 3.45Å; D216-S219 PolarHBondContact OD1-N 3.44Å; D216-S219 PolarHBondContact OD1-OG 3.45Å; D216-S219 WeakPolarHBondContact OD2-CB 3.44Å; D216-S219 PolarHBondContact OD2-OG 2.99Å; S219-Y222 WeakPolarHBondContact O-CB 3.44Å; S219-Y222 PolarHBondContact O-N 2.99Å; S219-L223 PolarHBondContact O-N 3.17Å
220	Y	88.7	Confident	89.4	Confident	8 Å²	8	45.2 Å²	45.2	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-78.7	-30.4	177.6	-66	-76.9	0	0	0	113.1	M41 M45 I206 G210 A214 D216 W217 N218 L223 V224	M41-Y220 HydrophobicContact CB-CE1 4.1Å; M41-Y220 WeakPolarHBondContact CB-OH 3.39Å; M41-Y220 HydrophobicContact CE-CD1 4.26Å; M41-Y220 HydrophobicContact CE-CE1 3.5Å; M41-Y220 VanDerWaalsContact CE-CE1 3.5Å; M41-Y220 HydrophobicContact CE-CE2 4.17Å; M41-Y220 VanDerWaalsContact CE-CZ 3.49Å; M41-Y220 HydrophobicContact CG-CE1 4.43Å; M41-Y220 WeakPolarHBondContact CG-OH 3.5Å; M45-Y220 HydrophobicContact CE-CD1 4.22Å; M45-Y220 HydrophobicContact CE-CE1 3.84Å; M45-Y220 HydrophobicContact SD-CD1 3.49Å; M45-Y220 WeakPolarHBondContact SD-CD1 3.47Å; M45-Y220 HydrophobicContact SD-CE1 3.64Å; I206-Y220 HydrophobicContact CG2-CD1 4.23Å; G210-Y220 VanDerWaalsContact CA-CE2 3.47Å; A214-Y220 HydrophobicContact CB-CE2 3.62Å; A214-Y220 WeakPolarHBondContact CB-OH 3.38Å; D216-Y220 HydrophobicContact CB-CE2 4.44Å; D216-Y220 WeakPolarHBondContact O-CD2 3.22Å; W217-Y220 PolarHBondContact O-N 2.89Å; N218-Y220 VanDerWaalsContact C-N 3.33Å; N218-Y220 PolarHBondContact O-N 3.24Å; Y220-L223 HydrophobicContact CD1-CD2 4.29Å; Y220-L223 WeakPolarHBondContact O-CB 3.28Å; Y220-L223 PolarHBondContact O-N 3.34Å; Y220-V224 WeakPolarHBondContact O-CG2 3.33Å; Y220-V224 PolarHBondContact O-N 2.93Å
221	K	90.2	Very high	89.9	Confident	78 Å²	78	46.2 Å²	46.2	34%	0.339	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-49.3	165.5	172.7	175.2	169.6	-169.2	0	110.4	W217 N218 L223 V224 E225	W217-K221 HydrophobicContact CE3-CB 4.29Å; W217-K221 HydrophobicContact CE3-CD 4.15Å; W217-K221 HydrophobicContact CH2-CB 4.5Å; W217-K221 HydrophobicContact CH2-CD 3.3Å; W217-K221 HydrophobicContact CH2-CG 4.42Å; W217-K221 HydrophobicContact CZ2-CD 4.07Å; W217-K221 HydrophobicContact CZ3-CB 4.27Å; W217-K221 HydrophobicContact CZ3-CD 3.32Å; W217-K221 HydrophobicContact CZ3-CG 4.42Å; W217-K221 WeakPolarHBondContact O-CB 3.49Å; W217-K221 PolarHBondContact O-N 3.27Å; N218-K221 PolarHBondContact O-N 3.19Å; K221-L223 VanDerWaalsContact C-N 3.29Å; K221-L223 PolarHBondContact O-N 3.47Å; K221-V224 PolarHBondContact O-N 3.38Å; K221-E225 WeakPolarHBondContact CE-OE1 3.4Å; K221-E225 HydrophobicContact CG-CG 4.29Å; K221-E225 IonicContact NZ-OE1 3.88Å; K221-E225 WeakPolarHBondContact O-CG 3.46Å; K221-E225 PolarHBondContact O-N 2.86Å
222	Y	92.3	Very high	90.2	Very high	9 Å²	9	43.5 Å²	43.5	4%	0.035	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-43.7	176.3	167.8	-101	0	0	0	111.8	F13 V27 V30 N160 N218 S219 V224 E225 S226	F13-Y222 AromaticContact CD1-CD2 3.98Å; F13-Y222 HydrophobicContact CD1-CD2 3.98Å; F13-Y222 HydrophobicContact CD1-CE2 4.39Å; F13-Y222 AromaticContact CD2-CD2 3.76Å; F13-Y222 HydrophobicContact CD2-CD2 3.76Å; F13-Y222 AromaticContact CD2-CE2 3.38Å; F13-Y222 HydrophobicContact CD2-CE2 3.38Å; F13-Y222 AromaticContact CE1-CD2 3.69Å; F13-Y222 HydrophobicContact CE1-CD2 3.69Å; F13-Y222 HydrophobicContact CE1-CE2 4.33Å; F13-Y222 HydrophobicContact CE1-CG 4.25Å; F13-Y222 AromaticContact CE2-CD2 3.43Å; F13-Y222 HydrophobicContact CE2-CD2 3.43Å; F13-Y222 VanDerWaalsContact CE2-CD2 3.43Å; F13-Y222 HydrophobicContact CE2-CE1 4.43Å; F13-Y222 AromaticContact CE2-CE2 3.3Å; F13-Y222 HydrophobicContact CE2-CE2 3.3Å; F13-Y222 HydrophobicContact CE2-CG 4.07Å; F13-Y222 AromaticContact CE2-CZ 3.85Å; F13-Y222 HydrophobicContact CG-CD2 4.01Å; F13-Y222 AromaticContact CG-CE2 3.94Å; F13-Y222 HydrophobicContact CG-CE2 3.94Å; F13-Y222 HydrophobicContact CZ-CD1 4.49Å; F13-Y222 AromaticContact CZ-CD2 3.4Å; F13-Y222 HydrophobicContact CZ-CD2 3.4Å; F13-Y222 AromaticContact CZ-CE2 3.82Å; F13-Y222 HydrophobicContact CZ-CE2 3.82Å; F13-Y222 AromaticContact CZ-CG 3.78Å; F13-Y222 HydrophobicContact CZ-CG 3.78Å; V27-Y222 WeakPolarHBondContact CG2-OH 3.44Å; V30-Y222 HydrophobicContact CG1-CD1 3.98Å; V30-Y222 HydrophobicContact CG1-CE1 4.42Å; V30-Y222 HydrophobicContact CG2-CD1 4.12Å; V30-Y222 HydrophobicContact CG2-CG 4.39Å; N160-Y222 PolarHBondContact OD1-OH 3.4Å; N218-Y222 WeakPolarHBondContact O-CB 3.49Å; N218-Y222 PolarHBondContact O-N 3.09Å; S219-Y222 WeakPolarHBondContact O-CB 3.44Å; S219-Y222 PolarHBondContact O-N 2.99Å; Y222-V224 PolarHBondContact O-N 3.17Å; Y222-E225 PolarHBondContact O-N 3.49Å; Y222-S226 VanDerWaalsContact O-CB 3.28Å; Y222-S226 WeakPolarHBondContact O-CB 3.38Å; Y222-S226 PolarHBondContact O-N 3.4Å; Y222-S226 PolarHBondContact O-OG 2.88Å
223	L	90.7	Very high	90.7	Very high	24 Å²	24	37.7 Å²	37.7	13%	0.126	20%	0.195	C	C	.	.	H	α-helix	trans	-52.8	-53.4	175.3	174.5	64	0	0	0	111.4	M45 I206 S219 Y220 K221 E225 S226 I227	M45-L223 HydrophobicContact CE-CD2 3.79Å; M45-L223 HydrophobicContact SD-CD2 3.59Å; M45-L223 VanDerWaalsContact SD-CD2 3.59Å; I206-L223 HydrophobicContact CG2-CD2 4.45Å; S219-L223 PolarHBondContact O-N 3.17Å; Y220-L223 HydrophobicContact CD1-CD2 4.29Å; Y220-L223 WeakPolarHBondContact O-CB 3.28Å; Y220-L223 PolarHBondContact O-N 3.34Å; K221-L223 VanDerWaalsContact C-N 3.29Å; K221-L223 PolarHBondContact O-N 3.47Å; L223-E225 VanDerWaalsContact C-N 3.35Å; L223-E225 PolarHBondContact O-N 2.86Å; L223-S226 PolarHBondContact O-N 2.88Å; L223-S226 PolarHBondContact O-OG 2.86Å; L223-I227 HydrophobicContact CD1-CD1 4.12Å; L223-I227 HydrophobicContact CG-CD1 4.21Å; L223-I227 WeakPolarHBondContact O-CG1 3.36Å; L223-I227 PolarHBondContact O-N 2.89Å; L223-I227 VanDerWaalsContact O-N 3.13Å
224	V	90	Very high	91.3	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-41.3	-177.7	174.7	0	0	0	0	111.7	S202 M203 I206 Y220 K221 Y222 R228	S202-V224 WeakPolarHBondContact O-CG2 3.25Å; M203-V224 HydrophobicContact CG-CG1 4.43Å; I206-V224 HydrophobicContact CB-CG2 4Å; I206-V224 HydrophobicContact CD1-CG2 4.27Å; I206-V224 HydrophobicContact CG2-CG2 3.82Å; Y220-V224 WeakPolarHBondContact O-CG2 3.33Å; Y220-V224 PolarHBondContact O-N 2.93Å; K221-V224 PolarHBondContact O-N 3.38Å; Y222-V224 PolarHBondContact O-N 3.17Å; V224-R228 PolarHBondContact O-N 3.14Å
225	E	92.2	Very high	91.9	Very high	27 Å²	27	45.4 Å²	45.4	13%	0.126	22%	0.224	C	C	.	.	H	α-helix	trans	-69.1	-39.3	178.6	-66.6	-178.5	170.4	0	0	112.1	G14 F15 K221 Y222 L223 I227 R228 K229	G14-E225 WeakPolarHBondContact CA-OE2 3.17Å; F15-E225 HydrophobicContact CB-CG 4.44Å; F15-E225 HydrophobicContact CD1-CB 3.97Å; F15-E225 HydrophobicContact CD1-CG 4.1Å; F15-E225 HydrophobicContact CD2-CB 4.44Å; F15-E225 HydrophobicContact CD2-CG 3.67Å; F15-E225 WeakPolarHBondContact CD2-OE1 3.27Å; F15-E225 HydrophobicContact CE1-CB 4.19Å; F15-E225 HydrophobicContact CE1-CG 4.32Å; F15-E225 HydrophobicContact CE2-CG 3.9Å; F15-E225 HydrophobicContact CG-CB 4.14Å; F15-E225 HydrophobicContact CG-CG 3.81Å; F15-E225 HydrophobicContact CZ-CG 4.24Å; F15-E225 PolarHBondContact N-OE2 3.38Å; K221-E225 WeakPolarHBondContact CE-OE1 3.4Å; K221-E225 HydrophobicContact CG-CG 4.29Å; K221-E225 IonicContact NZ-OE1 3.88Å; K221-E225 WeakPolarHBondContact O-CG 3.46Å; K221-E225 PolarHBondContact O-N 2.86Å; Y222-E225 PolarHBondContact O-N 3.49Å; L223-E225 VanDerWaalsContact C-N 3.35Å; L223-E225 PolarHBondContact O-N 2.86Å; E225-I227 PolarHBondContact O-N 3.14Å; E225-R228 PolarHBondContact O-N 2.79Å; E225-K229 PolarHBondContact O-N 2.9Å; E225-K229 VanDerWaalsContact O-N 3.11Å
226	S	93	Very high	92.4	Very high	3 Å²	3	43 Å²	43	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-41.1	177.8	72.5	0	0	0	0	111.9	Y222 L223 R228 K229 F230	Y222-S226 VanDerWaalsContact O-CB 3.28Å; Y222-S226 WeakPolarHBondContact O-CB 3.38Å; Y222-S226 PolarHBondContact O-N 3.4Å; Y222-S226 PolarHBondContact O-OG 2.88Å; L223-S226 PolarHBondContact O-N 2.88Å; L223-S226 PolarHBondContact O-OG 2.86Å; S226-R228 PolarHBondContact O-N 2.86Å; S226-K229 PolarHBondContact O-N 3.47Å; S226-K229 VanDerWaalsContact O-N 3.15Å; S226-F230 PolarHBondContact O-N 3.45Å
227	I	91.5	Very high	93	Very high	15 Å²	15	42.4 Å²	42.4	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-37.1	175.9	-68.1	166.7	0	0	0	111.1	F186 L223 E225	F186-I227 HydrophobicContact CB-CB 4.39Å; F186-I227 HydrophobicContact CB-CD1 4.22Å; F186-I227 HydrophobicContact CB-CG1 3.84Å; F186-I227 HydrophobicContact CB-CG2 3.79Å; F186-I227 HydrophobicContact CD1-CD1 4.34Å; F186-I227 HydrophobicContact CD2-CD1 3.73Å; F186-I227 HydrophobicContact CD2-CG1 3.82Å; F186-I227 HydrophobicContact CE2-CD1 4.15Å; F186-I227 HydrophobicContact CG-CD1 3.84Å; F186-I227 HydrophobicContact CG-CG1 3.94Å; L223-I227 HydrophobicContact CD1-CD1 4.12Å; L223-I227 HydrophobicContact CG-CD1 4.21Å; L223-I227 WeakPolarHBondContact O-CG1 3.36Å; L223-I227 PolarHBondContact O-N 2.89Å; L223-I227 VanDerWaalsContact O-N 3.13Å; E225-I227 PolarHBondContact O-N 3.14Å
228	R	90.1	Very high	93.4	Very high	75 Å²	75	42.9 Å²	42.9	28%	0.283	20%	0.204	S	C	.	.	H	α-helix	trans	-79	-22.9	-179.7	-71.2	177.3	170.8	169.4	-4.4	114.1	F15 N199 M203 V224 E225 S226	F15-R228 HydrophobicContact CE1-CB 4.06Å; F15-R228 HydrophobicContact CZ-CB 4.26Å; N199-R228 PolarHBondContact OD1-NH2 3.45Å; N199-R228 VanDerWaalsContact OD1-NH2 3.1Å; M203-R228 VanDerWaalsContact SD-CZ 3.56Å; M203-R228 PolarHBondContact SD-NH1 3.09Å; M203-R228 PolarHBondContact SD-NH2 3.46Å; V224-R228 PolarHBondContact O-N 3.14Å; E225-R228 PolarHBondContact O-N 2.79Å; S226-R228 PolarHBondContact O-N 2.86Å
229	K	92.3	Very high	93.9	Very high	96 Å²	96	38.6 Å²	38.6	42%	0.417	18%	0.181	S	C	.	.	H	α-helix	trans	-85.8	-22.9	175.1	-73	-64.6	-173.7	175.6	0	112.6	G14 F15 E225 S226	G14-K229 WeakPolarHBondContact O-CE 3.19Å; G14-K229 VanDerWaalsContact O-CG 3.32Å; G14-K229 WeakPolarHBondContact O-CG 3.34Å; F15-K229 HydrophobicContact CD1-CG 4.31Å; F15-K229 HydrophobicContact CE1-CG 4.48Å; E225-K229 PolarHBondContact O-N 2.9Å; E225-K229 VanDerWaalsContact O-N 3.11Å; S226-K229 PolarHBondContact O-N 3.47Å; S226-K229 VanDerWaalsContact O-N 3.15Å
230	F	95.2	Very high	94.3	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.022	18%	0.179	C	C	.	.	S	Bend	trans	-62.9	140.6	175.6	-165.4	-108.2	0	0	0	110.6	I158 R159 I164 E185 S226 F236	I158-F230 HydrophobicContact CG2-CE2 3.69Å; I158-F230 HydrophobicContact CG2-CZ 3.69Å; R159-F230 HydrophobicContact CB-CB 4.24Å; R159-F230 HydrophobicContact CB-CD2 3.61Å; R159-F230 HydrophobicContact CB-CE2 4.26Å; R159-F230 HydrophobicContact CB-CG 4.05Å; I164-F230 HydrophobicContact CD1-CD2 3.79Å; I164-F230 HydrophobicContact CD1-CE2 3.74Å; I164-F230 HydrophobicContact CG1-CE2 4.42Å; I164-F230 HydrophobicContact CG2-CE2 4.48Å; E185-F230 HydrophobicContact CB-CE1 4.1Å; E185-F230 HydrophobicContact CB-CZ 4.42Å; E185-F230 HydrophobicContact CG-CD1 3.83Å; E185-F230 HydrophobicContact CG-CE1 3.53Å; E185-F230 HydrophobicContact CG-CE2 4.32Å; E185-F230 HydrophobicContact CG-CG 4.34Å; E185-F230 HydrophobicContact CG-CZ 3.81Å; S226-F230 PolarHBondContact O-N 3.45Å; F230-F236 HydrophobicContact CE1-CD1 4.22Å; F230-F236 HydrophobicContact CE1-CD2 4.47Å; F230-F236 HydrophobicContact CE1-CG 4.17Å; F230-F236 HydrophobicContact CZ-CD1 4.09Å; F230-F236 AromaticContact CZ-CD2 3.83Å; F230-F236 HydrophobicContact CZ-CD2 3.83Å; F230-F236 HydrophobicContact CZ-CE1 4.16Å; F230-F236 AromaticContact CZ-CE2 3.91Å; F230-F236 HydrophobicContact CZ-CE2 3.91Å; F230-F236 AromaticContact CZ-CG 3.96Å; F230-F236 HydrophobicContact CZ-CG 3.96Å; F230-F236 HydrophobicContact CZ-CZ 4.1Å
231	P	95.4	Very high	94.8	Very high	21 Å²	21	41.1 Å²	41.1	14%	0.136	20%	0.197	C	C	.	.			trans	-57	152.3	176.6	-20.7	31.9	0	0	0	111.6	I164 E235 F236 I239	I164-P231 HydrophobicContact CD1-CG 4.22Å; P231-E235 WeakPolarHBondContact CA-OE2 3.45Å; P231-E235 HydrophobicContact CB-CB 3.64Å; P231-F236 HydrophobicContact CB-CB 4.19Å; P231-I239 HydrophobicContact CB-CD1 4.48Å; P231-I239 HydrophobicContact CG-CD1 3.94Å
232	D	95.4	Very high	95.2	Very high	35 Å²	35	43.8 Å²	43.8	19%	0.187	21%	0.211	C	C	.	.			trans	-73.1	-178	169.7	55	48.1	0	0	0	112.6	K188 E234 E235 F236	K188-D232 HydrophobicContact CB-CB 4.18Å; K188-D232 HydrophobicContact CD-CB 3.62Å; K188-D232 HydrophobicContact CG-CB 3.82Å; K188-D232 IonicContact NZ-OD2 2.68Å; K188-D232 PolarHBondContact NZ-OD2 3.22Å; D232-E234 VanDerWaalsContact C-N 3.34Å; D232-E234 PolarHBondContact O-N 3.49Å; D232-E234 PolarHBondContact OD1-N 3.25Å; D232-E235 PolarHBondContact N-OE2 3.1Å; D232-E235 PolarHBondContact O-N 2.88Å; D232-E235 WeakPolarHBondContact OD1-CB 3.29Å; D232-E235 VanDerWaalsContact OD1-CG 3.3Å; D232-E235 WeakPolarHBondContact OD1-CG 3.37Å; D232-E235 PolarHBondContact OD1-N 3.43Å; D232-F236 VanDerWaalsContact O-CB 3.22Å; D232-F236 WeakPolarHBondContact O-CB 3.44Å; D232-F236 PolarHBondContact O-N 3.28Å
233	Q	95.9	Very high	95.4	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.075	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-45.5	-176.7	-62.6	89.3	-28.5	0	0	112.7	S187 K188 A237 W250 N252 H261	S187-Q233 VanDerWaalsContact OG-CG 3.31Å; S187-Q233 WeakPolarHBondContact OG-CG 3.46Å; S187-Q233 PolarHBondContact OG-N 3.06Å; S187-Q233 PolarHBondContact OG-NE2 2.94Å; S187-Q233 PolarHBondContact OG-OE1 2.87Å; K188-Q233 PolarHBondContact O-NE2 3.14Å; Q233-A237 VanDerWaalsContact O-CB 3.23Å; Q233-A237 WeakPolarHBondContact O-CB 3.37Å; Q233-A237 PolarHBondContact O-N 2.92Å; Q233-W250 HydrophobicContact CB-CD2 3.98Å; Q233-W250 HydrophobicContact CB-CG 4Å; Q233-W250 HydrophobicContact CB-CZ2 4.21Å; Q233-W250 HydrophobicContact CG-CG 4.39Å; Q233-N252 WeakPolarHBondContact CG-OD1 3.45Å; Q233-N252 PolarHBondContact NE2-OD1 2.93Å; Q233-H261 WeakPolarHBondContact CA-NE2 3.49Å; Q233-H261 PolarHBondContact O-NE2 2.82Å
234	E	97.1	Very high	95.7	Very high	141 Å²	141	44.9 Å²	44.9	66%	0.659	23%	0.227	S	C	*	.	H	α-helix	trans	-71.6	-46.5	-178.4	-69.4	-176.9	-175.9	0	0	111	D232 F236 A237 H238 W250	D232-E234 VanDerWaalsContact C-N 3.34Å; D232-E234 PolarHBondContact O-N 3.49Å; D232-E234 PolarHBondContact OD1-N 3.25Å; E234-F236 VanDerWaalsContact C-N 3.33Å; E234-F236 PolarHBondContact O-N 3.17Å; E234-A237 PolarHBondContact O-N 3.49Å; E234-H238 PolarHBondContact O-N 3.46Å; E234-W250 HydrophobicContact CG-CH2 3.75Å; E234-W250 HydrophobicContact CG-CZ2 3.96Å
235	E	97.6	Very high	96.1	Very high	99 Å²	99	44.7 Å²	44.7	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-59.8	-43.8	177.4	-68.9	171	151.5	0	0	111.3	K188 P231 D232 H238 I239	K188-E235 IonicContact NZ-OE2 3.55Å; K188-E235 PolarHBondContact NZ-OE2 3.4Å; P231-E235 WeakPolarHBondContact CA-OE2 3.45Å; P231-E235 HydrophobicContact CB-CB 3.64Å; D232-E235 PolarHBondContact N-OE2 3.1Å; D232-E235 PolarHBondContact O-N 2.88Å; D232-E235 WeakPolarHBondContact OD1-CB 3.29Å; D232-E235 VanDerWaalsContact OD1-CG 3.3Å; D232-E235 WeakPolarHBondContact OD1-CG 3.37Å; D232-E235 PolarHBondContact OD1-N 3.43Å; E235-H238 WeakPolarHBondContact O-CB 3.49Å; E235-H238 PolarHBondContact O-N 3.17Å; E235-I239 WeakPolarHBondContact O-CG1 3.07Å; E235-I239 PolarHBondContact O-N 3.18Å; E235-I239 VanDerWaalsContact O-N 3.07Å
236	F	98.5	Very high	96.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.4	-38.4	179.5	-170.8	-128.1	0	0	0	112.4	I158 I164 V168 C183 F230 P231 D232 E234 H238 I239 I240 H261	I158-F236 HydrophobicContact CD1-CE2 3.98Å; I158-F236 HydrophobicContact CD1-CZ 3.82Å; I164-F236 HydrophobicContact CG2-CD2 4.14Å; I164-F236 HydrophobicContact CG2-CE2 3.72Å; V168-F236 HydrophobicContact CG2-CE2 4.02Å; V168-F236 HydrophobicContact CG2-CZ 4.34Å; C183-F236 HydrophobicContact CB-CE1 3.97Å; C183-F236 HydrophobicContact CB-CZ 4.3Å; F230-F236 HydrophobicContact CE1-CD1 4.22Å; F230-F236 HydrophobicContact CE1-CD2 4.47Å; F230-F236 HydrophobicContact CE1-CG 4.17Å; F230-F236 HydrophobicContact CZ-CD1 4.09Å; F230-F236 AromaticContact CZ-CD2 3.83Å; F230-F236 HydrophobicContact CZ-CD2 3.83Å; F230-F236 HydrophobicContact CZ-CE1 4.16Å; F230-F236 AromaticContact CZ-CE2 3.91Å; F230-F236 HydrophobicContact CZ-CE2 3.91Å; F230-F236 AromaticContact CZ-CG 3.96Å; F230-F236 HydrophobicContact CZ-CG 3.96Å; F230-F236 HydrophobicContact CZ-CZ 4.1Å; P231-F236 HydrophobicContact CB-CB 4.19Å; D232-F236 VanDerWaalsContact O-CB 3.22Å; D232-F236 WeakPolarHBondContact O-CB 3.44Å; D232-F236 PolarHBondContact O-N 3.28Å; E234-F236 VanDerWaalsContact C-N 3.33Å; E234-F236 PolarHBondContact O-N 3.17Å; F236-H238 PolarHBondContact O-N 3.25Å; F236-I239 HydrophobicContact CD2-CB 4.46Å; F236-I239 HydrophobicContact CD2-CD1 4.44Å; F236-I239 WeakPolarHBondContact O-CB 3.14Å; F236-I239 PolarHBondContact O-N 3.04Å; F236-I240 HydrophobicContact CD1-CD1 3.94Å; F236-I240 HydrophobicContact CE1-CD1 3.72Å; F236-I240 HydrophobicContact CE1-CG1 4.39Å; F236-I240 HydrophobicContact CE2-CG1 4.38Å; F236-I240 HydrophobicContact CG-CD1 4.43Å; F236-I240 HydrophobicContact CZ-CD1 4.02Å; F236-I240 HydrophobicContact CZ-CG1 4.22Å; F236-I240 WeakPolarHBondContact O-CG1 3.45Å; F236-I240 PolarHBondContact O-N 3.18Å; F236-H261 HydrophobicContact CD1-CB 4.1Å; F236-H261 AromaticContact CD1-CD2 3.63Å; F236-H261 AromaticContact CD1-CE1 3.78Å; F236-H261 AromaticContact CD1-CG 3.53Å; F236-H261 AromaticContact CD1-ND1 3.65Å; F236-H261 AromaticContact CD1-NE2 3.78Å; F236-H261 HydrophobicContact CE1-CB 3.99Å; F236-H261 AromaticContact CE1-CG 3.93Å
237	A	98.6	Very high	96.6	Very high	9 Å²	9	48.9 Å²	48.9	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-36.4	171.8	0	0	0	0	0	111.9	Q233 E234 I240 T241 V248 W250	Q233-A237 VanDerWaalsContact O-CB 3.23Å; Q233-A237 WeakPolarHBondContact O-CB 3.37Å; Q233-A237 PolarHBondContact O-N 2.92Å; E234-A237 PolarHBondContact O-N 3.49Å; A237-I240 PolarHBondContact O-N 3.27Å; A237-T241 PolarHBondContact O-N 3.26Å; A237-T241 PolarHBondContact O-OG1 3.42Å; A237-V248 HydrophobicContact CB-CG1 3.98Å; A237-V248 WeakPolarHBondContact O-CG1 3.35Å; A237-W250 HydrophobicContact CB-CE3 3.66Å; A237-W250 HydrophobicContact CB-CZ3 3.74Å
238	H	98.6	Very high	97	Very high	113 Å²	113	49.7 Å²	49.7	52%	0.523	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-46.5	173.1	-173	70.2	0	0	0	111.6	E234 E235 F236 I240 T241 Q242	E234-H238 PolarHBondContact O-N 3.46Å; E235-H238 WeakPolarHBondContact O-CB 3.49Å; E235-H238 PolarHBondContact O-N 3.17Å; F236-H238 PolarHBondContact O-N 3.25Å; H238-I240 VanDerWaalsContact C-N 3.29Å; H238-I240 PolarHBondContact O-N 3.19Å; H238-T241 WeakPolarHBondContact O-CB 3.24Å; H238-T241 PolarHBondContact O-N 3.02Å; H238-Q242 PolarHBondContact CE1-NE2 3.39Å; H238-Q242 WeakPolarHBondContact NE2-CG 3.34Å; H238-Q242 WeakPolarHBondContact O-CG 3.41Å; H238-Q242 PolarHBondContact O-N 3.46Å
239	I	98.6	Very high	97.3	Very high	23 Å²	23	49.8 Å²	49.8	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-56.8	-42.5	175.8	-68.5	166.7	0	0	0	111.6	I164 E165 V168 P231 E235 F236 Q242 S243	I164-I239 HydrophobicContact CG2-CD1 4.5Å; I164-I239 HydrophobicContact CG2-CG2 4.48Å; E165-I239 HydrophobicContact CB-CG2 4.44Å; E165-I239 HydrophobicContact CG-CG2 4.02Å; V168-I239 HydrophobicContact CG2-CG2 4.22Å; P231-I239 HydrophobicContact CB-CD1 4.48Å; P231-I239 HydrophobicContact CG-CD1 3.94Å; E235-I239 WeakPolarHBondContact O-CG1 3.07Å; E235-I239 PolarHBondContact O-N 3.18Å; E235-I239 VanDerWaalsContact O-N 3.07Å; F236-I239 HydrophobicContact CD2-CB 4.46Å; F236-I239 HydrophobicContact CD2-CD1 4.44Å; F236-I239 WeakPolarHBondContact O-CB 3.14Å; F236-I239 PolarHBondContact O-N 3.04Å; I239-Q242 PolarHBondContact O-N 3.48Å; I239-S243 PolarHBondContact O-N 3.02Å; I239-S243 VanDerWaalsContact O-N 3.09Å; I239-S243 PolarHBondContact O-OG 2.8Å
240	I	98.8	Very high	97.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-46.4	177.6	-63	163.6	0	0	0	110.9	V168 F181 F236 A237 H238 Q242 S243 F245 V248 H261	V168-I240 HydrophobicContact CG1-CB 4.41Å; V168-I240 HydrophobicContact CG1-CG1 4.11Å; F181-I240 HydrophobicContact CD1-CD1 4.42Å; F181-I240 HydrophobicContact CD1-CG2 4.36Å; F181-I240 HydrophobicContact CE1-CD1 3.81Å; F181-I240 HydrophobicContact CE1-CG1 4.05Å; F236-I240 HydrophobicContact CD1-CD1 3.94Å; F236-I240 HydrophobicContact CE1-CD1 3.72Å; F236-I240 HydrophobicContact CE1-CG1 4.39Å; F236-I240 HydrophobicContact CE2-CG1 4.38Å; F236-I240 HydrophobicContact CG-CD1 4.43Å; F236-I240 HydrophobicContact CZ-CD1 4.02Å; F236-I240 HydrophobicContact CZ-CG1 4.22Å; F236-I240 WeakPolarHBondContact O-CG1 3.45Å; F236-I240 PolarHBondContact O-N 3.18Å; A237-I240 PolarHBondContact O-N 3.27Å; H238-I240 VanDerWaalsContact C-N 3.29Å; H238-I240 PolarHBondContact O-N 3.19Å; I240-Q242 PolarHBondContact O-N 2.86Å; I240-S243 PolarHBondContact O-N 3.41Å; I240-F245 HydrophobicContact CG2-CB 3.71Å; I240-F245 HydrophobicContact CG2-CD2 3.74Å; I240-F245 HydrophobicContact CG2-CG 3.9Å; I240-F245 PolarHBondContact O-N 2.65Å; I240-V248 HydrophobicContact CB-CG1 3.92Å; I240-V248 HydrophobicContact CB-CG2 4.31Å; I240-V248 HydrophobicContact CD1-CG1 4.45Å; I240-V248 HydrophobicContact CG2-CB 4.42Å; I240-V248 HydrophobicContact CG2-CG1 3.85Å; I240-V248 HydrophobicContact CG2-CG2 3.64Å; I240-H261 HydrophobicContact CD1-CB 3.63Å
241	T	98.5	Very high	97.7	Very high	68 Å²	68	51.5 Å²	51.5	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-45.4	176.2	-54.4	0	0	0	0	111.6	A237 H238 S243 G244	A237-T241 PolarHBondContact O-N 3.26Å; A237-T241 PolarHBondContact O-OG1 3.42Å; H238-T241 WeakPolarHBondContact O-CB 3.24Å; H238-T241 PolarHBondContact O-N 3.02Å; T241-S243 PolarHBondContact O-N 3.01Å; T241-G244 PolarHBondContact O-N 2.84Å
242	Q	98	Very high	97.7	Very high	134 Å²	134	52.2 Å²	52.2	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-64.1	-24.4	179.3	-69.3	-54.7	-64	0	0	113.1	H238 I239 I240 G244	H238-Q242 PolarHBondContact CE1-NE2 3.39Å; H238-Q242 WeakPolarHBondContact NE2-CG 3.34Å; H238-Q242 WeakPolarHBondContact O-CG 3.41Å; H238-Q242 PolarHBondContact O-N 3.46Å; I239-Q242 PolarHBondContact O-N 3.48Å; I240-Q242 PolarHBondContact O-N 2.86Å; Q242-G244 PolarHBondContact O-N 2.85Å
243	S	97.5	Very high	97.6	Very high	25 Å²	25	52.2 Å²	52.2	18%	0.175	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.8	175.8	-56.2	0	0	0	0	113.4	V168 I239 I240 T241	V168-S243 WeakPolarHBondContact CG1-OG 3.31Å; I239-S243 PolarHBondContact O-N 3.02Å; I239-S243 VanDerWaalsContact O-N 3.09Å; I239-S243 PolarHBondContact O-OG 2.8Å; I240-S243 PolarHBondContact O-N 3.41Å; T241-S243 PolarHBondContact O-N 3.01Å
244	G	97.1	Very high	97.3	Very high	31 Å²	31	54.3 Å²	54.3	32%	0.32	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	102	3.5	174.2	0	0	0	0	0	115.3	Y172 T241 Q242	Y172-G244 WeakPolarHBondContact CE2-O 3.29Å; T241-G244 PolarHBondContact O-N 2.84Å; Q242-G244 PolarHBondContact O-N 2.85Å
245	F	98.6	Very high	96.8	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	28%	0.281	C	S	.	.			trans	-73.9	140.1	174.6	-72.7	-81.7	0	0	0	111.6	V168 A171 Y172 L175 F181 I240 V248	V168-F245 HydrophobicContact CG1-CD2 4.05Å; V168-F245 HydrophobicContact CG1-CE2 3.75Å; A171-F245 HydrophobicContact CB-CZ 4.35Å; Y172-F245 HydrophobicContact CD2-CD1 4.08Å; Y172-F245 AromaticContact CD2-CD2 3.97Å; Y172-F245 HydrophobicContact CD2-CD2 3.97Å; Y172-F245 HydrophobicContact CD2-CE1 4.01Å; Y172-F245 AromaticContact CD2-CE2 3.92Å; Y172-F245 HydrophobicContact CD2-CE2 3.92Å; Y172-F245 HydrophobicContact CD2-CG 4.05Å; Y172-F245 AromaticContact CD2-CZ 3.95Å; Y172-F245 HydrophobicContact CD2-CZ 3.95Å; Y172-F245 HydrophobicContact CG-CE2 4.31Å; Y172-F245 HydrophobicContact CG-CZ 4.38Å; L175-F245 HydrophobicContact CD1-CE1 3.62Å; L175-F245 HydrophobicContact CD1-CZ 3.88Å; F181-F245 HydrophobicContact CB-CD1 4.04Å; F181-F245 HydrophobicContact CB-CE1 3.41Å; F181-F245 VanDerWaalsContact CB-CE1 3.41Å; F181-F245 HydrophobicContact CB-CE2 4.4Å; F181-F245 HydrophobicContact CB-CZ 3.61Å; F181-F245 HydrophobicContact CD2-CZ 4.25Å; F181-F245 HydrophobicContact CG-CE1 4.26Å; F181-F245 HydrophobicContact CG-CE2 4.41Å; F181-F245 AromaticContact CG-CZ 4Å; F181-F245 HydrophobicContact CG-CZ 4Å; I240-F245 HydrophobicContact CG2-CB 3.71Å; I240-F245 HydrophobicContact CG2-CD2 3.74Å; I240-F245 HydrophobicContact CG2-CG 3.9Å; I240-F245 PolarHBondContact O-N 2.65Å; F245-V248 HydrophobicContact CB-CG2 3.86Å; F245-V248 WeakPolarHBondContact O-CG2 3.43Å
246	D	98	Very high	96.4	Very high	71 Å²	71	46 Å²	46	38%	0.38	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	162	171.9	-76	-51.4	0	0	0	111.2	V248 Y264 T266	D246-V248 PolarHBondContact O-N 2.8Å; D246-Y264 HydrophobicContact CB-CD2 4.25Å; D246-Y264 HydrophobicContact CB-CE1 4.49Å; D246-Y264 HydrophobicContact CB-CE2 3.73Å; D246-Y264 PolarHBondContact N-O 2.71Å; D246-Y264 WeakPolarHBondContact O-CD1 3.09Å; D246-Y264 PolarHBondContact O-N 3.39Å; D246-T266 HydrophobicContact CB-CG2 3.96Å; D246-T266 WeakPolarHBondContact OD2-CB 2.94Å; D246-T266 WeakPolarHBondContact OD2-CG2 3.34Å; D246-T266 PolarHBondContact OD2-OG1 3.32Å
247	G	97.5	Very high	96	Very high	48 Å²	48	47.8 Å²	47.8	50%	0.495	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.5	36.8	179.3	0	0	0	0	0	113.4	D249	G247-D249 PolarHBondContact O-N 3.03Å
248	V	98.7	Very high	95.8	Very high	32 Å²	32	47.4 Å²	47.4	19%	0.194	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.9	-179.2	-177	0	0	0	0	110	A237 I240 F245 D246 M262	A237-V248 HydrophobicContact CB-CG1 3.98Å; A237-V248 WeakPolarHBondContact O-CG1 3.35Å; I240-V248 HydrophobicContact CB-CG1 3.92Å; I240-V248 HydrophobicContact CB-CG2 4.31Å; I240-V248 HydrophobicContact CD1-CG1 4.45Å; I240-V248 HydrophobicContact CG2-CB 4.42Å; I240-V248 HydrophobicContact CG2-CG1 3.85Å; I240-V248 HydrophobicContact CG2-CG2 3.64Å; F245-V248 HydrophobicContact CB-CG2 3.86Å; F245-V248 WeakPolarHBondContact O-CG2 3.43Å; D246-V248 PolarHBondContact O-N 2.8Å; V248-M262 VanDerWaalsContact CA-O 3.28Å; V248-M262 WeakPolarHBondContact CA-O 3.14Å
249	D	98.1	Very high	95.7	Very high	77 Å²	77	42 Å²	42	41%	0.412	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	166.5	-179.8	-171.7	20.8	0	0	0	109.7	G247 H261 M262	G247-D249 PolarHBondContact O-N 3.03Å; D249-H261 WeakPolarHBondContact O-CA 3.25Å; D249-M262 HydrophobicContact CB-CE 3.61Å; D249-M262 HydrophobicContact CB-CG 4.45Å; D249-M262 PolarHBondContact N-O 3.09Å; D249-M262 VanDerWaalsContact N-O 3.09Å; D249-M262 PolarHBondContact O-N 2.75Å; D249-M262 WeakPolarHBondContact OD2-CE 2.97Å
250	W	97.9	Very high	95.7	Very high	77 Å²	77	41 Å²	41	29%	0.292	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.8	174.9	72.3	90.9	0	0	0	112.8	Q233 E234 A237 V260 H261	Q233-W250 HydrophobicContact CB-CD2 3.98Å; Q233-W250 HydrophobicContact CB-CG 4Å; Q233-W250 HydrophobicContact CB-CZ2 4.21Å; Q233-W250 HydrophobicContact CG-CG 4.39Å; E234-W250 HydrophobicContact CG-CH2 3.75Å; E234-W250 HydrophobicContact CG-CZ2 3.96Å; A237-W250 HydrophobicContact CB-CE3 3.66Å; A237-W250 HydrophobicContact CB-CZ3 3.74Å; W250-V260 CarbonylContact C-O 3.56Å; W250-V260 WeakPolarHBondContact CA-O 2.81Å; W250-H261 AromaticContact CG-NE2 3.97Å
251	I	96.8	Very high	95.7	Very high	59 Å²	59	41 Å²	41	30%	0.303	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.3	173.9	-60.1	175.1	0	0	0	108.8	Y253 S259 V260 M262	I251-Y253 HydrophobicContact CG2-CD1 4.32Å; I251-Y253 HydrophobicContact CG2-CE1 3.9Å; I251-S259 CarbonylContact O-C 3.58Å; I251-S259 VanDerWaalsContact O-CA 3.29Å; I251-S259 WeakPolarHBondContact O-CA 3.48Å; I251-V260 PolarHBondContact N-O 2.76Å; I251-V260 PolarHBondContact O-N 3.28Å; I251-M262 HydrophobicContact CD1-CE 4.2Å; I251-M262 HydrophobicContact CG1-CE 4.18Å
252	N	95.4	Very high	95.7	Very high	37 Å²	37	38.6 Å²	38.6	20%	0.198	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134.2	176.6	-77.2	-36.2	0	0	0	111.6	E190 Q233 S259	E190-N252 PolarHBondContact OE1-ND2 2.93Å; Q233-N252 WeakPolarHBondContact CG-OD1 3.45Å; Q233-N252 PolarHBondContact NE2-OD1 2.93Å; N252-S259 WeakPolarHBondContact OD1-CB 3.11Å
253	Y	93.3	Very high	95.8	Very high	35 Å²	35	32.5 Å²	32.5	14%	0.137	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	145.1	167	-60.8	-23.8	0	0	0	109.9	W53 C56 L184 I251 N255 G256 I257 V258 V260	W53-Y253 HydrophobicContact CB-CD2 4.23Å; W53-Y253 AromaticContact CD1-CD2 3.96Å; W53-Y253 HydrophobicContact CG-CD2 4.32Å; C56-Y253 HydrophobicContact CB-CE1 4.41Å; C56-Y253 HydrophobicContact CB-CE2 3.75Å; L184-Y253 HydrophobicContact CD1-CD2 4.34Å; L184-Y253 HydrophobicContact CD1-CE2 4.3Å; I251-Y253 HydrophobicContact CG2-CD1 4.32Å; I251-Y253 HydrophobicContact CG2-CE1 3.9Å; Y253-N255 VanDerWaalsContact C-N 3.3Å; Y253-N255 PolarHBondContact O-N 2.88Å; Y253-G256 PolarHBondContact O-N 2.93Å; Y253-G256 VanDerWaalsContact O-N 3.17Å; Y253-I257 PolarHBondContact O-N 2.85Å; Y253-V258 PolarHBondContact N-O 3Å; Y253-V258 PolarHBondContact O-N 3.48Å; Y253-V258 VanDerWaalsContact O-O 3.13Å; Y253-V260 HydrophobicContact CD2-CG2 4.18Å; Y253-V260 HydrophobicContact CE2-CG2 3.41Å; Y253-V260 VanDerWaalsContact CE2-CG2 3.41Å
254	S	90	Very high	95.8	Very high	60 Å²	60	35.7 Å²	35.7	42%	0.42	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	49.8	49.2	178.2	-59.4	0	0	0	0	112.8	W53 G256 I257	W53-S254 WeakPolarHBondContact CZ2-OG 3.47Å; W53-S254 PolarHBondContact NE1-OG 3.17Å; S254-G256 VanDerWaalsContact C-N 3.31Å; S254-G256 PolarHBondContact O-N 3.28Å; S254-I257 WeakPolarHBondContact O-CD1 3.3Å; S254-I257 VanDerWaalsContact O-CG1 3.29Å; S254-I257 WeakPolarHBondContact O-CG1 3.19Å; S254-I257 PolarHBondContact O-N 3.5Å
255	N	86.7	Confident	95.9	Very high	65 Å²	65	35.1 Å²	35.1	35%	0.348	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	61.7	33.4	176.4	-158.9	81.5	0	0	0	114.2	V189 E190 N191 Y253	V189-N255 WeakPolarHBondContact CG1-O 3.36Å; E190-N255 PolarHBondContact N-O 2.94Å; N191-N255 WeakPolarHBondContact CB-ND2 3.39Å; N191-N255 PolarHBondContact N-ND2 3.29Å; Y253-N255 VanDerWaalsContact C-N 3.3Å; Y253-N255 PolarHBondContact O-N 2.88Å
256	G	89	Confident	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	89.3	8.5	175.6	0	0	0	0	0	114.8	S187 K188 Y253 S254 V258	S187-G256 CarbonylContact C-O 3.58Å; S187-G256 VanDerWaalsContact C-O 3.31Å; K188-G256 CarbonylContact C-O 3.52Å; K188-G256 VanDerWaalsContact C-O 3.3Å; Y253-G256 PolarHBondContact O-N 2.93Å; Y253-G256 VanDerWaalsContact O-N 3.17Å; S254-G256 VanDerWaalsContact C-N 3.31Å; S254-G256 PolarHBondContact O-N 3.28Å; G256-V258 PolarHBondContact O-N 3.33Å
257	I	90	Very high	95.3	Very high	38 Å²	38	35.8 Å²	35.8	20%	0.195	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-41.4	170.4	-65.4	172.5	0	0	0	109.7	W53 F186 S187 V189 Y198 Y253 S254	W53-I257 HydrophobicContact CH2-CG2 4.07Å; W53-I257 HydrophobicContact CZ2-CG2 4.4Å; F186-I257 VanDerWaalsContact CA-O 3.32Å; F186-I257 WeakPolarHBondContact CA-O 3.31Å; F186-I257 HydrophobicContact CD1-CG2 4.25Å; F186-I257 HydrophobicContact CE1-CG2 4.48Å; S187-I257 PolarHBondContact N-O 3.29Å; V189-I257 HydrophobicContact CG2-CG1 3.67Å; Y198-I257 HydrophobicContact CD2-CD1 4.23Å; Y198-I257 HydrophobicContact CD2-CG1 4.34Å; Y198-I257 HydrophobicContact CE2-CD1 4.49Å; Y198-I257 HydrophobicContact CE2-CG1 4.44Å; Y198-I257 HydrophobicContact CE2-CG2 3.94Å; Y253-I257 PolarHBondContact O-N 2.85Å; S254-I257 WeakPolarHBondContact O-CD1 3.3Å; S254-I257 VanDerWaalsContact O-CG1 3.29Å; S254-I257 WeakPolarHBondContact O-CG1 3.19Å; S254-I257 PolarHBondContact O-N 3.5Å
258	V	94.6	Very high	94.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.9	176.7	176.4	0	0	0	0	108.5	W53 F156 L184 E185 F186 Y253 G256	W53-V258 HydrophobicContact CD2-CB 4.28Å; W53-V258 HydrophobicContact CD2-CG2 3.86Å; W53-V258 HydrophobicContact CE3-CB 4.4Å; W53-V258 HydrophobicContact CE3-CG2 3.54Å; W53-V258 HydrophobicContact CH2-CG2 3.9Å; W53-V258 HydrophobicContact CZ2-CG2 4.16Å; W53-V258 HydrophobicContact CZ3-CG2 3.57Å; F156-V258 HydrophobicContact CE1-CG1 4.03Å; F156-V258 HydrophobicContact CE1-CG2 3.99Å; F156-V258 HydrophobicContact CZ-CG1 4.07Å; F156-V258 HydrophobicContact CZ-CG2 4.24Å; L184-V258 HydrophobicContact CD1-CG1 3.34Å; L184-V258 HydrophobicContact CG-CG1 4.03Å; E185-V258 CarbonylContact O-C 3.3Å; E185-V258 WeakPolarHBondContact O-CA 3.46Å; E185-V258 WeakPolarHBondContact O-CG1 3.32Å; F186-V258 HydrophobicContact CD1-CG2 3.69Å; F186-V258 HydrophobicContact CE1-CG2 3.86Å; Y253-V258 PolarHBondContact N-O 3Å; Y253-V258 PolarHBondContact O-N 3.48Å; Y253-V258 VanDerWaalsContact O-O 3.13Å; G256-V258 PolarHBondContact O-N 3.33Å
259	S	97.2	Very high	92.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.7	172.6	58.9	0	0	0	0	111	E185 S187 I251 N252 H261	E185-S259 PolarHBondContact N-O 2.89Å; E185-S259 PolarHBondContact O-N 3.49Å; S187-S259 WeakPolarHBondContact CB-OG 3.46Å; I251-S259 CarbonylContact O-C 3.58Å; I251-S259 VanDerWaalsContact O-CA 3.29Å; I251-S259 WeakPolarHBondContact O-CA 3.48Å; N252-S259 WeakPolarHBondContact OD1-CB 3.11Å; S259-H261 PolarHBondContact OG-CE1 2.91Å; S259-H261 PolarHBondContact OG-ND1 3.38Å
260	V	98.5	Very high	92.1	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.9	165.8	177	0	0	0	0	107.9	F57 C183 L184 W250 I251 Y253	F57-V260 HydrophobicContact CB-CG2 4.42Å; F57-V260 HydrophobicContact CD2-CB 4.4Å; F57-V260 HydrophobicContact CD2-CG1 3.74Å; F57-V260 HydrophobicContact CD2-CG2 3.75Å; F57-V260 HydrophobicContact CE2-CG1 3.99Å; C183-V260 CarbonylContact O-C 3.58Å; C183-V260 VanDerWaalsContact O-CA 3.32Å; C183-V260 WeakPolarHBondContact O-CA 3.1Å; L184-V260 HydrophobicContact CD1-CG2 3.47Å; L184-V260 VanDerWaalsContact CD1-CG2 3.47Å; W250-V260 CarbonylContact C-O 3.56Å; W250-V260 WeakPolarHBondContact CA-O 2.81Å; I251-V260 PolarHBondContact N-O 2.76Å; I251-V260 PolarHBondContact O-N 3.28Å; Y253-V260 HydrophobicContact CD2-CG2 4.18Å; Y253-V260 HydrophobicContact CE2-CG2 3.41Å; Y253-V260 VanDerWaalsContact CE2-CG2 3.41Å
261	H	98.7	Very high	91.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	144.8	169.3	-71.1	72	0	0	0	110.1	Y182 C183 Q233 F236 I240 D249 W250 S259	Y182-H261 WeakPolarHBondContact CA-O 3.37Å; C183-H261 HydrophobicContact CB-CB 4.39Å; C183-H261 PolarHBondContact N-O 2.71Å; C183-H261 PolarHBondContact O-N 2.81Å; Q233-H261 WeakPolarHBondContact CA-NE2 3.49Å; Q233-H261 PolarHBondContact O-NE2 2.82Å; F236-H261 HydrophobicContact CD1-CB 4.1Å; F236-H261 AromaticContact CD1-CD2 3.63Å; F236-H261 AromaticContact CD1-CE1 3.78Å; F236-H261 AromaticContact CD1-CG 3.53Å; F236-H261 AromaticContact CD1-ND1 3.65Å; F236-H261 AromaticContact CD1-NE2 3.78Å; F236-H261 HydrophobicContact CE1-CB 3.99Å; F236-H261 AromaticContact CE1-CG 3.93Å; I240-H261 HydrophobicContact CD1-CB 3.63Å; D249-H261 WeakPolarHBondContact O-CA 3.25Å; W250-H261 AromaticContact CG-NE2 3.97Å; S259-H261 PolarHBondContact OG-CE1 2.91Å; S259-H261 PolarHBondContact OG-ND1 3.38Å
262	M	98.7	Very high	91.5	Very high	19 Å²	19	47.2 Å²	47.2	9%	0.094	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.9	-179	61.6	-156.5	160.5	0	0	111.3	R60 F181 Y182 V248 D249 I251	R60-M262 PolarHBondContact NH2-SD 2.74Å; F181-M262 VanDerWaalsContact O-CA 3.25Å; F181-M262 WeakPolarHBondContact O-CA 3.29Å; Y182-M262 HydrophobicContact CD1-CB 3.84Å; Y182-M262 HydrophobicContact CE1-CB 3.9Å; V248-M262 VanDerWaalsContact CA-O 3.28Å; V248-M262 WeakPolarHBondContact CA-O 3.14Å; D249-M262 HydrophobicContact CB-CE 3.61Å; D249-M262 HydrophobicContact CB-CG 4.45Å; D249-M262 PolarHBondContact N-O 3.09Å; D249-M262 VanDerWaalsContact N-O 3.09Å; D249-M262 PolarHBondContact O-N 2.75Å; D249-M262 WeakPolarHBondContact OD2-CE 2.97Å; I251-M262 HydrophobicContact CD1-CE 4.2Å; I251-M262 HydrophobicContact CG1-CE 4.18Å
263	G	98.6	Very high	91.3	Very high	6 Å²	6	47.8 Å²	47.8	6%	0.062	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	171.2	173.8	0	0	0	0	0	110.4	F181	F181-G263 PolarHBondContact N-O 3.32Å; F181-G263 PolarHBondContact O-N 2.8Å; F181-G263 VanDerWaalsContact O-N 3.14Å
264	Y	98.4	Very high	91.2	Very high	91 Å²	91	48.6 Å²	48.6	36%	0.357	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.8	176.4	61.6	-91.7	0	0	0	112.4	W178 G179 D246 T266	W178-Y264 HydrophobicContact CE3-CD2 4.07Å; W178-Y264 HydrophobicContact CE3-CE2 4.31Å; W178-Y264 HydrophobicContact CZ3-CD2 4.02Å; W178-Y264 AromaticContact CZ3-CE2 3.78Å; W178-Y264 HydrophobicContact CZ3-CE2 3.78Å; G179-Y264 CarbonylContact O-C 3.59Å; G179-Y264 VanDerWaalsContact O-CA 3.3Å; G179-Y264 WeakPolarHBondContact O-CA 3.42Å; D246-Y264 HydrophobicContact CB-CD2 4.25Å; D246-Y264 HydrophobicContact CB-CE1 4.49Å; D246-Y264 HydrophobicContact CB-CE2 3.73Å; D246-Y264 PolarHBondContact N-O 2.71Å; D246-Y264 WeakPolarHBondContact O-CD1 3.09Å; D246-Y264 PolarHBondContact O-N 3.39Å; Y264-T266 HydrophobicContact CD2-CG2 4.05Å; Y264-T266 HydrophobicContact CE2-CG2 3.59Å
265	K	98.3	Very high	91.2	Very high	20 Å²	20	47.8 Å²	47.8	9%	0.087	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-83.1	116.6	175.4	173.7	168.2	-176.7	-179.9	0	109.2	N147 Y172 L175 W178 G179	N147-K265 PolarHBondContact OD1-NZ 3.12Å; Y172-K265 HydrophobicContact CD1-CD 4.37Å; Y172-K265 HydrophobicContact CD2-CB 4.19Å; Y172-K265 HydrophobicContact CD2-CD 4.24Å; Y172-K265 HydrophobicContact CD2-CG 4.2Å; Y172-K265 HydrophobicContact CE1-CD 4.14Å; Y172-K265 HydrophobicContact CE1-CG 4.39Å; Y172-K265 HydrophobicContact CE2-CB 3.85Å; Y172-K265 HydrophobicContact CE2-CD 4Å; Y172-K265 HydrophobicContact CE2-CG 3.59Å; Y172-K265 HydrophobicContact CG-CD 4.43Å; Y172-K265 VanDerWaalsContact O-CD 3.31Å; Y172-K265 WeakPolarHBondContact O-CD 3.4Å; Y172-K265 PolarHBondContact O-NZ 2.88Å; L175-K265 HydrophobicContact CB-CD 4.26Å; L175-K265 VanDerWaalsContact O-CD 3.29Å; L175-K265 WeakPolarHBondContact O-CD 3.42Å; L175-K265 WeakPolarHBondContact O-CE 3.31Å; L175-K265 PolarHBondContact O-NZ 3.07Å; W178-K265 VanDerWaalsContact CA-O 3.23Å; W178-K265 WeakPolarHBondContact CA-O 3.23Å; W178-K265 PolarHBondContact N-O 2.63Å; G179-K265 PolarHBondContact O-N 3.37Å
266	T	95.3	Very high	91.6	Very high	36 Å²	36	46.6 Å²	46.6	22%	0.221	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-73.6	152	169.5	42.9	0	0	0	0	111.1	W178 D246 Y264 S268	W178-T266 HydrophobicContact CH2-CG2 4.48Å; W178-T266 HydrophobicContact CZ3-CG2 4.27Å; D246-T266 HydrophobicContact CB-CG2 3.96Å; D246-T266 WeakPolarHBondContact OD2-CB 2.94Å; D246-T266 WeakPolarHBondContact OD2-CG2 3.34Å; D246-T266 PolarHBondContact OD2-OG1 3.32Å; Y264-T266 HydrophobicContact CD2-CG2 4.05Å; Y264-T266 HydrophobicContact CE2-CG2 3.59Å; T266-S268 PolarHBondContact O-N 3.42Å
267	P	88.9	Confident	91.8	Very high	51 Å²	51	50.2 Å²	50.2	33%	0.331	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-57.1	135.1	168	-20	31	0	0	0	110.2	P177 W178 K269	P177-P267 HydrophobicContact CB-CB 4.11Å; P177-P267 HydrophobicContact CB-CG 4.04Å; W178-P267 HydrophobicContact CD2-CG 4.29Å; W178-P267 VanDerWaalsContact CE2-CD 3.5Å; W178-P267 HydrophobicContact CZ2-CG 3.83Å; W178-P267 VanDerWaalsContact NE1-CG 3.31Å; P267-K269 PolarHBondContact O-N 3.35Å
268	S	79.3	Confident	91.9	Very high	110 Å²	110	51.2 Å²	51.2	77%	0.769	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-55.6	132.9	167.6	52.5	0	0	0	0	109.1	T266	T266-S268 PolarHBondContact O-N 3.42Å
269	K	56.4	Low	91.7	Very high	280 Å²	280	55.8 Å²	55.8	100%	1.217	29%	0.286	S	S	*	.			trans	-61.2	0	172.1	-73	-176	179.8	176	0	111.8	P267	P267-K269 PolarHBondContact O-N 3.35Å

Retrieved 269 of 269 residues in 322.9 ms (Link to these results)

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