G4VJ60_SCHMA Loading...

Putative 4-hydroxyphenylpyruvate dioxygenase

AlphaFold DB , UniProt , Accession G4VJ60, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 345 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	33.7	Very low	239 Å²	239	142.2 Å²	142.2	100%	1.177	77%	0.765	S	S	*	*				0	46.4	0	-141.9	-172.4	-75.5	0	0	110	N3	M1-N3 PolarHBondContact O-N 3.1Å
2	L	28.3	Very low	34.4	Very low	174 Å²	174	149.3 Å²	149.3	91%	0.911	78%	0.776	S	S	*	*			trans	-96.2	40.8	175.4	-79.2	158.1	0	0	0	110	K4	L2-K4 PolarHBondContact O-N 3.25Å; L2-K4 VanDerWaalsContact O-N 3.09Å
3	N	27.3	Very low	35.6	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	75%	0.746	S	S	*	*			trans	-73.1	106.4	177.5	-96.8	-12.9	0	0	0	107.8	M1	M1-N3 PolarHBondContact O-N 3.1Å
4	K	33	Very low	37.2	Very low	177 Å²	177	140.4 Å²	140.4	77%	0.77	74%	0.735	S	S	*	*			trans	47.8	95.1	164.1	-71.9	177.2	173.8	179.3	0	113	L2 Q6	L2-K4 PolarHBondContact O-N 3.25Å; L2-K4 VanDerWaalsContact O-N 3.09Å; K4-Q6 PolarHBondContact O-N 3.14Å
5	I	33.9	Very low	38.6	Very low	160 Å²	160	132.4 Å²	132.4	82%	0.821	69%	0.692	S	S	*	*			trans	-55.1	94.1	138	-61.9	171.8	0	0	0	103.9	T7	I5-T7 VanDerWaalsContact C-N 3.28Å; I5-T7 PolarHBondContact O-N 3.41Å
6	Q	29.7	Very low	39.9	Very low	151 Å²	151	130 Å²	130	71%	0.706	67%	0.674	S	S	*	*			trans	-55.8	108.6	162.3	-82.5	179.8	-21.6	0	0	102.8	K4 L8	K4-Q6 PolarHBondContact O-N 3.14Å; Q6-L8 VanDerWaalsContact C-N 3.31Å; Q6-L8 PolarHBondContact O-N 2.95Å
7	T	35.5	Very low	41.1	Very low	102 Å²	102	125.4 Å²	125.4	63%	0.626	65%	0.646	S	S	*	*			trans	-46.2	107	166	44.2	0	0	0	0	105.1	I5 S9	I5-T7 VanDerWaalsContact C-N 3.28Å; I5-T7 PolarHBondContact O-N 3.41Å; T7-S9 PolarHBondContact O-N 2.96Å; T7-S9 PolarHBondContact O-OG 3.08Å
8	L	34.5	Very low	42.1	Very low	112 Å²	112	122.2 Å²	122.2	59%	0.586	63%	0.628	S	S	*	*			trans	-71.1	50.8	-178.9	-77.2	162.2	0	0	0	108.7	Q6 S10 V11	Q6-L8 VanDerWaalsContact C-N 3.31Å; Q6-L8 PolarHBondContact O-N 2.95Å; L8-S10 PolarHBondContact O-N 2.91Å; L8-V11 HydrophobicContact CB-CB 4.31Å; L8-V11 HydrophobicContact CB-CG2 3.88Å; L8-V11 HydrophobicContact CD1-CG2 4.46Å; L8-V11 HydrophobicContact CD2-CG2 3.61Å; L8-V11 HydrophobicContact CG-CG2 4.17Å; L8-V11 PolarHBondContact O-N 2.8Å
9	S	39.5	Very low	43.1	Very low	115 Å²	115	120 Å²	120	80%	0.804	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-6.8	-178.7	56.5	0	0	0	0	112.4	T7	T7-S9 PolarHBondContact O-N 2.96Å; T7-S9 PolarHBondContact O-OG 3.08Å
10	S	35.4	Very low	44.1	Very low	111 Å²	111	117.8 Å²	117.8	78%	0.776	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	1.6	174.1	72	0	0	0	0	114.9	L8 Y12	L8-S10 PolarHBondContact O-N 2.91Å; S10-Y12 PolarHBondContact O-N 2.94Å
11	V	42.6	Very low	45.1	Very low	72 Å²	72	112.4 Å²	112.4	44%	0.436	58%	0.583	S	S	.	*	S	Bend	trans	-79.9	114.6	167.7	-179.9	0	0	0	0	106.2	L8 H13	L8-V11 HydrophobicContact CB-CB 4.31Å; L8-V11 HydrophobicContact CB-CG2 3.88Å; L8-V11 HydrophobicContact CD1-CG2 4.46Å; L8-V11 HydrophobicContact CD2-CG2 3.61Å; L8-V11 HydrophobicContact CG-CG2 4.17Å; L8-V11 PolarHBondContact O-N 2.8Å; V11-H13 PolarHBondContact O-N 3.36Å
12	Y	42.5	Very low	46.6	Very low	227 Å²	227	103.5 Å²	103.5	89%	0.89	54%	0.544	S	S	*	.			trans	-61.1	91.2	170.6	-143.6	-88.5	0	0	0	106.9	S10	S10-Y12 PolarHBondContact O-N 2.94Å
13	H	49.9	Very low	48.2	Very low	83 Å²	83	100.9 Å²	100.9	38%	0.384	53%	0.531	S	S	.	.			trans	-74.9	124.2	174.9	-101.9	-72.7	0	0	0	107	V11 F15 H18	V11-H13 PolarHBondContact O-N 3.36Å; H13-F15 PolarHBondContact O-N 2.89Å; H13-H18 HydrophobicContact CB-CB 3.81Å; H13-H18 AromaticContact CE1-CD2 3.8Å; H13-H18 AromaticContact CE1-NE2 3.68Å; H13-H18 AromaticContact CG-CD2 3.41Å; H13-H18 VanDerWaalsContact CG-CD2 3.41Å; H13-H18 AromaticContact CG-CG 3.72Å; H13-H18 AromaticContact ND1-CD2 3.24Å; H13-H18 PolarHBondContact ND1-CD2 2.84Å; H13-H18 AromaticContact ND1-CG 3.94Å; H13-H18 AromaticContact ND1-NE2 3.51Å
14	P	57.1	Low	49.7	Very low	92 Å²	92	100.1 Å²	100.1	60%	0.597	52%	0.517	S	S	*	.	S	Bend	trans	-61.8	-17.9	-178.1	23.1	-31.4	0	0	0	112.2	Y64	P14-Y64 WeakPolarHBondContact O-CE1 3.46Å
15	F	58.3	Low	51	Low	20 Å²	20	93.1 Å²	93.1	9%	0.088	49%	0.49	C	S	.	.			trans	-97.7	114.5	178.4	-55.9	-79.4	0	0	0	111.8	H13 Y17 H18 Y64 L98 P99	H13-F15 PolarHBondContact O-N 2.89Å; F15-Y17 PolarHBondContact O-N 2.98Å; F15-H18 PolarHBondContact O-N 3.19Å; F15-Y64 HydrophobicContact CB-CE1 4.28Å; F15-Y64 AromaticContact CD1-CD1 3.47Å; F15-Y64 HydrophobicContact CD1-CD1 3.47Å; F15-Y64 VanDerWaalsContact CD1-CD1 3.47Å; F15-Y64 AromaticContact CD1-CD2 3.82Å; F15-Y64 HydrophobicContact CD1-CD2 3.82Å; F15-Y64 AromaticContact CD1-CE1 3.52Å; F15-Y64 HydrophobicContact CD1-CE1 3.52Å; F15-Y64 AromaticContact CD1-CE2 3.83Å; F15-Y64 HydrophobicContact CD1-CE2 3.83Å; F15-Y64 AromaticContact CD1-CG 3.64Å; F15-Y64 HydrophobicContact CD1-CG 3.64Å; F15-Y64 AromaticContact CD1-CZ 3.68Å; F15-Y64 AromaticContact CE1-CD1 3.72Å; F15-Y64 HydrophobicContact CE1-CD1 3.72Å; F15-Y64 AromaticContact CE1-CD2 3.98Å; F15-Y64 HydrophobicContact CE1-CD2 3.98Å; F15-Y64 HydrophobicContact CE1-CE1 4.25Å; F15-Y64 HydrophobicContact CE1-CE2 4.45Å; F15-Y64 AromaticContact CE1-CG 3.58Å; F15-Y64 HydrophobicContact CE1-CG 3.58Å; F15-Y64 HydrophobicContact CG-CD1 4.49Å; F15-Y64 HydrophobicContact CG-CE1 4.27Å; F15-L98 HydrophobicContact CZ-CB 4.48Å; F15-P99 WeakPolarHBondContact CZ-O 3.43Å
16	K	59.2	Low	52.2	Low	94 Å²	94	90.2 Å²	90.2	41%	0.409	48%	0.48	S	S	.	.	H	α-helix	trans	-46.3	-31.3	166.8	-169.4	171.9	-178.6	-96.1	0	112.9	H18 S19 E20 L59 Y64	K16-H18 VanDerWaalsContact C-N 3.27Å; K16-H18 PolarHBondContact O-N 3.27Å; K16-S19 PolarHBondContact O-N 2.72Å; K16-S19 VanDerWaalsContact O-N 3.15Å; K16-S19 PolarHBondContact O-OG 3.42Å; K16-E20 WeakPolarHBondContact CE-OE1 3.48Å; K16-E20 HydrophobicContact CG-CG 4.12Å; K16-E20 IonicContact NZ-OE1 3.81Å; K16-E20 PolarHBondContact NZ-OE1 2.93Å; K16-E20 IonicContact NZ-OE2 2.63Å; K16-E20 PolarHBondContact NZ-OE2 2.81Å; K16-E20 PolarHBondContact O-N 2.63Å; K16-E20 VanDerWaalsContact O-N 3.1Å; K16-L59 HydrophobicContact CB-CD1 4.5Å; K16-L59 HydrophobicContact CD-CD1 4.21Å; K16-L59 HydrophobicContact CG-CD1 4.29Å; K16-Y64 WeakPolarHBondContact CB-OH 3.47Å; K16-Y64 PolarHBondContact N-OH 2.77Å
17	Y	60.8	Low	53.8	Low	51 Å²	51	91.6 Å²	91.6	20%	0.2	49%	0.487	C	S	.	.	H	α-helix	trans	-37.9	-54.1	167.2	177.3	-92.3	0	0	0	113	F15 S19 E20 I21 D33 L59 L73 V75 T86	F15-Y17 PolarHBondContact O-N 2.98Å; Y17-S19 PolarHBondContact O-N 3.17Å; Y17-E20 PolarHBondContact O-N 3.18Å; Y17-I21 HydrophobicContact CD2-CD1 3.34Å; Y17-I21 HydrophobicContact CE2-CD1 3.42Å; Y17-I21 VanDerWaalsContact CE2-CD1 3.42Å; Y17-I21 HydrophobicContact CG-CD1 4.08Å; Y17-I21 WeakPolarHBondContact O-CB 3.36Å; Y17-I21 PolarHBondContact O-N 2.83Å; Y17-D33 PolarHBondContact OH-OD2 3.41Å; Y17-L59 HydrophobicContact CD2-CD2 4.47Å; Y17-L73 HydrophobicContact CD2-CD2 4.28Å; Y17-V75 HydrophobicContact CD2-CG2 3.65Å; Y17-V75 HydrophobicContact CE2-CG2 3.7Å; Y17-T86 WeakPolarHBondContact CE2-OG1 3.37Å
18	H	59.8	Low	55.4	Low	69 Å²	69	90.1 Å²	90.1	32%	0.319	47%	0.469	S	S	.	.	H	α-helix	trans	-65.1	-43.9	-175	-77.7	-70.7	0	0	0	111.7	H13 F15 K16 E20 S22	H13-H18 HydrophobicContact CB-CB 3.81Å; H13-H18 AromaticContact CE1-CD2 3.8Å; H13-H18 AromaticContact CE1-NE2 3.68Å; H13-H18 AromaticContact CG-CD2 3.41Å; H13-H18 VanDerWaalsContact CG-CD2 3.41Å; H13-H18 AromaticContact CG-CG 3.72Å; H13-H18 AromaticContact ND1-CD2 3.24Å; H13-H18 PolarHBondContact ND1-CD2 2.84Å; H13-H18 AromaticContact ND1-CG 3.94Å; H13-H18 AromaticContact ND1-NE2 3.51Å; F15-H18 PolarHBondContact O-N 3.19Å; K16-H18 VanDerWaalsContact C-N 3.27Å; K16-H18 PolarHBondContact O-N 3.27Å; H18-E20 PolarHBondContact O-N 2.89Å; H18-S22 WeakPolarHBondContact O-CB 3.36Å; H18-S22 PolarHBondContact O-N 3.12Å; H18-S22 PolarHBondContact O-OG 3.47Å
19	S	61.4	Low	57.4	Low	80 Å²	80	87.6 Å²	87.6	56%	0.559	46%	0.457	S	S	*	.	H	α-helix	trans	-69.9	-32	-177.9	50.8	0	0	0	0	114	K16 Y17	K16-S19 PolarHBondContact O-N 2.72Å; K16-S19 VanDerWaalsContact O-N 3.15Å; K16-S19 PolarHBondContact O-OG 3.42Å; Y17-S19 PolarHBondContact O-N 3.17Å
20	E	62.4	Low	59.5	Low	76 Å²	76	82.7 Å²	82.7	36%	0.355	42%	0.424	S	S	.	.	H	α-helix	trans	-88.8	-31	-175.5	-66.2	-171	150.6	0	0	112.5	K16 Y17 H18 L59	K16-E20 WeakPolarHBondContact CE-OE1 3.48Å; K16-E20 HydrophobicContact CG-CG 4.12Å; K16-E20 IonicContact NZ-OE1 3.81Å; K16-E20 PolarHBondContact NZ-OE1 2.93Å; K16-E20 IonicContact NZ-OE2 2.63Å; K16-E20 PolarHBondContact NZ-OE2 2.81Å; K16-E20 PolarHBondContact O-N 2.63Å; K16-E20 VanDerWaalsContact O-N 3.1Å; Y17-E20 PolarHBondContact O-N 3.18Å; H18-E20 PolarHBondContact O-N 2.89Å; E20-L59 WeakPolarHBondContact OE2-CD1 3.49Å
21	I	64.9	Low	62.1	Low	5 Å²	5	79.4 Å²	79.4	3%	0.026	40%	0.4	C	S	.	.	H	α-helix	trans	-101.7	-26.1	-172.8	-63.4	159.4	0	0	0	111.7	Y17 D23 W24 C25 V75 L84	Y17-I21 HydrophobicContact CD2-CD1 3.34Å; Y17-I21 HydrophobicContact CE2-CD1 3.42Å; Y17-I21 VanDerWaalsContact CE2-CD1 3.42Å; Y17-I21 HydrophobicContact CG-CD1 4.08Å; Y17-I21 WeakPolarHBondContact O-CB 3.36Å; Y17-I21 PolarHBondContact O-N 2.83Å; I21-D23 PolarHBondContact O-N 3.11Å; I21-D23 VanDerWaalsContact O-N 3.12Å; I21-W24 WeakPolarHBondContact O-CB 3.39Å; I21-W24 PolarHBondContact O-N 3.35Å; I21-C25 VanDerWaalsContact CG2-SG 3.53Å; I21-C25 PolarHBondContact O-N 3.38Å; I21-C25 PolarHBondContact O-SG 3.25Å; I21-V75 HydrophobicContact CD1-CB 3.84Å; I21-V75 HydrophobicContact CD1-CG1 3.85Å; I21-V75 HydrophobicContact CD1-CG2 3.53Å; I21-L84 HydrophobicContact CG2-CD1 4.36Å
22	S	63.5	Low	64.2	Low	51 Å²	51	78.2 Å²	78.2	36%	0.357	39%	0.389	S	S	.	.	H	α-helix	trans	-54.2	-39.9	-176.9	60.6	0	0	0	0	113.4	H18 W24 C25 T26	H18-S22 WeakPolarHBondContact O-CB 3.36Å; H18-S22 PolarHBondContact O-N 3.12Å; H18-S22 PolarHBondContact O-OG 3.47Å; S22-W24 VanDerWaalsContact C-N 3.26Å; S22-W24 PolarHBondContact O-N 3.35Å; S22-C25 WeakPolarHBondContact O-CB 3.45Å; S22-C25 PolarHBondContact O-N 3.3Å; S22-T26 WeakPolarHBondContact O-CG2 3.29Å; S22-T26 PolarHBondContact O-N 2.96Å
23	D	60.6	Low	66.6	Low	119 Å²	119	69 Å²	69	64%	0.636	36%	0.355	S	S	*	.	H	α-helix	trans	-63.4	-35.9	-177.6	-73.6	-1.1	0	0	0	111.3	I21 C25 T26	I21-D23 PolarHBondContact O-N 3.11Å; I21-D23 VanDerWaalsContact O-N 3.12Å; D23-C25 VanDerWaalsContact C-N 3.34Å; D23-T26 PolarHBondContact O-OG1 2.87Å; D23-T26 VanDerWaalsContact O-OG1 3.11Å
24	W	58.6	Low	68.8	Low	135 Å²	135	65.7 Å²	65.7	51%	0.511	34%	0.34	S	S	.	.	H	α-helix	trans	-70.4	-31.5	175	-71.9	55.8	0	0	0	112.2	I21 S22 K77	I21-W24 WeakPolarHBondContact O-CB 3.39Å; I21-W24 PolarHBondContact O-N 3.35Å; S22-W24 VanDerWaalsContact C-N 3.26Å; S22-W24 PolarHBondContact O-N 3.35Å; W24-K77 VanDerWaalsContact CZ3-CE 3.43Å
25	C	61.4	Low	70.6	Confident	30 Å²	30	64.4 Å²	64.4	20%	0.203	34%	0.337	C	S	.	.	H	α-helix	trans	-77.4	-28.5	-175.2	-58.5	0	0	0	0	113.8	I21 S22 D23 Q27 R28 F32	I21-C25 VanDerWaalsContact CG2-SG 3.53Å; I21-C25 PolarHBondContact O-N 3.38Å; I21-C25 PolarHBondContact O-SG 3.25Å; S22-C25 WeakPolarHBondContact O-CB 3.45Å; S22-C25 PolarHBondContact O-N 3.3Å; D23-C25 VanDerWaalsContact C-N 3.34Å; C25-Q27 PolarHBondContact O-N 3.13Å; C25-R28 PolarHBondContact O-N 3.35Å; C25-R28 VanDerWaalsContact O-N 3.08Å; C25-F32 HydrophobicContact CB-CE1 4.21Å; C25-F32 HydrophobicContact CB-CE2 4.44Å; C25-F32 HydrophobicContact CB-CZ 3.74Å; C25-F32 WeakPolarHBondContact SG-CE2 3.42Å; C25-F32 WeakPolarHBondContact SG-CZ 3.33Å
26	T	59.3	Low	72.4	Confident	99 Å²	99	64.8 Å²	64.8	61%	0.607	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.6	-170.1	56.9	0	0	0	0	115.5	S22 D23	S22-T26 WeakPolarHBondContact O-CG2 3.29Å; S22-T26 PolarHBondContact O-N 2.96Å; D23-T26 PolarHBondContact O-OG1 2.87Å; D23-T26 VanDerWaalsContact O-OG1 3.11Å
27	Q	63.7	Low	74.2	Confident	181 Å²	181	67.2 Å²	67.2	85%	0.846	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.8	-178.8	-60.8	-174.2	10.5	0	0	114.3	C25	C25-Q27 PolarHBondContact O-N 3.13Å
28	R	68.4	Low	75.9	Confident	71 Å²	71	65.9 Å²	65.9	27%	0.268	35%	0.35	S	S	.	.			trans	-106.4	146.9	-171.7	-59.1	-168	-176.5	-169.6	7.5	112.9	C25 F32 N82	C25-R28 PolarHBondContact O-N 3.35Å; C25-R28 VanDerWaalsContact O-N 3.08Å; R28-F32 HydrophobicContact CB-CD1 4.17Å; R28-N82 PolarHBondContact NH1-O 2.9Å; R28-N82 VanDerWaalsContact NH2-CG 3.3Å; R28-N82 PolarHBondContact NH2-O 2.94Å; R28-N82 PolarHBondContact NH2-OD1 3.31Å
29	D	77.3	Confident	77.6	Confident	59 Å²	59	67.1 Å²	67.1	32%	0.316	37%	0.372	S	S	.	.	S	Bend	trans	-129.6	58.8	-176.1	-177.2	34.3	0	0	0	110	F308 K310 D311	D29-F308 WeakPolarHBondContact O-CB 3.42Å; D29-F308 WeakPolarHBondContact O-CG 3.35Å; D29-K310 HydrophobicContact CB-CB 4.16Å; D29-K310 HydrophobicContact CB-CD 4.37Å; D29-K310 PolarHBondContact OD2-N 3.23Å; D29-D311 VanDerWaalsContact C-CG 3.44Å; D29-D311 WeakPolarHBondContact O-CB 3.41Å
30	G	83.6	Confident	79.3	Confident	11 Å²	11	66.6 Å²	66.6	11%	0.113	36%	0.363	C	S	.	.	S	Bend	trans	164.6	173.4	-177.2	0	0	0	0	0	112.1	F32 D311	G30-F32 WeakPolarHBondContact O-CD1 3.03Å; G30-D311 WeakPolarHBondContact CA-OD2 3.19Å; G30-D311 PolarHBondContact N-OD2 2.93Å
31	P	88.6	Confident	81.1	Confident	43 Å²	43	63 Å²	63	28%	0.279	35%	0.346	S	S	.	.			trans	-77.4	134	-175.4	5.7	9.3	0	0	0	111.1	L227 F308 F313	P31-L227 HydrophobicContact CB-CD2 3.96Å; P31-L227 HydrophobicContact CG-CD2 4.32Å; P31-F308 HydrophobicContact CG-CE2 4Å; P31-F308 HydrophobicContact CG-CZ 4.44Å; P31-F313 HydrophobicContact CG-CB 4.41Å; P31-F313 HydrophobicContact CG-CD1 3.66Å; P31-F313 HydrophobicContact CG-CD2 3.77Å; P31-F313 HydrophobicContact CG-CE1 3.73Å; P31-F313 HydrophobicContact CG-CE2 3.85Å; P31-F313 HydrophobicContact CG-CG 3.66Å; P31-F313 HydrophobicContact CG-CZ 3.83Å
32	F	87.7	Confident	82.6	Confident	46 Å²	46	68.1 Å²	68.1	20%	0.202	37%	0.37	C	S	.	.			trans	-134.9	-1.7	-172.5	60.2	-94.8	0	0	0	114.5	C25 R28 G30 L84	C25-F32 HydrophobicContact CB-CE1 4.21Å; C25-F32 HydrophobicContact CB-CE2 4.44Å; C25-F32 HydrophobicContact CB-CZ 3.74Å; C25-F32 WeakPolarHBondContact SG-CE2 3.42Å; C25-F32 WeakPolarHBondContact SG-CZ 3.33Å; R28-F32 HydrophobicContact CB-CD1 4.17Å; G30-F32 WeakPolarHBondContact O-CD1 3.03Å; F32-L84 HydrophobicContact CD2-CD1 4.19Å; F32-L84 HydrophobicContact CD2-CG 4.48Å; F32-L84 HydrophobicContact CE2-CD1 4.36Å; F32-L84 PolarHBondContact O-N 3.37Å
33	D	92.4	Very high	84.3	Confident	34 Å²	34	69.7 Å²	69.7	18%	0.182	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-128.6	131.1	177.5	-170	-18	0	0	0	108.3	Y17 L84 H85 T86	Y17-D33 PolarHBondContact OH-OD2 3.41Å; D33-L84 WeakPolarHBondContact CA-O 3.05Å; D33-L84 HydrophobicContact CB-CB 4.22Å; D33-H85 WeakPolarHBondContact OD1-CA 3.39Å; D33-T86 PolarHBondContact OD1-N 3.26Å; D33-T86 PolarHBondContact OD2-OG1 2.84Å
34	I	95.8	Very high	86.1	Confident	14 Å²	14	64.3 Å²	64.3	7%	0.072	34%	0.343	C	S	.	.			trans	-111.8	106.4	170.3	-59.5	161	0	0	0	107.6	L36 L83 L84 H85 I133 I135 F201 L227	I34-L36 HydrophobicContact CG2-CD2 4.2Å; I34-L36 HydrophobicContact CG2-CG 4.28Å; I34-L83 HydrophobicContact CD1-CD1 3.89Å; I34-L83 HydrophobicContact CD1-CD2 3.91Å; I34-L83 HydrophobicContact CD1-CG 4.32Å; I34-L83 HydrophobicContact CG1-CD1 4.12Å; I34-L84 PolarHBondContact N-O 3.33Å; I34-H85 WeakPolarHBondContact O-CA 3.48Å; I34-H85 PolarHBondContact O-ND1 2.86Å; I34-H85 VanDerWaalsContact O-ND1 3.14Å; I34-I133 HydrophobicContact CD1-CD1 4.42Å; I34-I133 HydrophobicContact CD1-CG2 3.71Å; I34-I133 HydrophobicContact CG2-CD1 3.6Å; I34-I135 HydrophobicContact CD1-CD1 4.4Å; I34-F201 HydrophobicContact CD1-CE1 4.01Å; I34-F201 HydrophobicContact CG2-CE1 4.38Å; I34-F201 HydrophobicContact CG2-CZ 3.95Å; I34-L227 HydrophobicContact CD1-CD1 4.44Å; I34-L227 HydrophobicContact CG1-CD2 4.29Å
35	A	95.5	Very high	87.9	Confident	65 Å²	65	58.1 Å²	58.1	54%	0.537	32%	0.32	S	S	.	.			trans	-70.2	131.9	174.1	0	0	0	0	0	111	T86	A35-T86 CarbonylContact C-O 3.52Å; A35-T86 WeakPolarHBondContact CA-O 3.48Å; A35-T86 HydrophobicContact CB-CG2 4.46Å
36	L	96.4	Very high	89.6	Confident	28 Å²	28	61 Å²	61	15%	0.147	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.4	-178.5	-67.5	173.1	0	0	0	110.5	I34 V38 T86 I87 I88 F153 F201	I34-L36 HydrophobicContact CG2-CD2 4.2Å; I34-L36 HydrophobicContact CG2-CG 4.28Å; L36-V38 HydrophobicContact CB-CG1 4.48Å; L36-T86 PolarHBondContact N-O 3.15Å; L36-I87 WeakPolarHBondContact O-CA 3.41Å; L36-I88 PolarHBondContact O-N 2.79Å; L36-F153 HydrophobicContact CD1-CD1 4.26Å; L36-F153 HydrophobicContact CD1-CD2 4.41Å; L36-F153 HydrophobicContact CD1-CE1 3.79Å; L36-F153 HydrophobicContact CD1-CE2 3.93Å; L36-F153 HydrophobicContact CD1-CZ 3.61Å; L36-F201 HydrophobicContact CD1-CZ 4.26Å; L36-F201 HydrophobicContact CD2-CE2 4.15Å; L36-F201 HydrophobicContact CD2-CZ 3.9Å
37	E	95.8	Very high	91.5	Very high	145 Å²	145	59.6 Å²	59.6	68%	0.678	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.7	168.5	-168.5	171.6	-170.6	0	0	109.7	I88 S90	E37-I88 CarbonylContact C-O 3.57Å; E37-I88 VanDerWaalsContact CA-O 3.25Å; E37-I88 WeakPolarHBondContact CA-O 3.46Å; E37-S90 PolarHBondContact OE1-OG 3.06Å
38	V	97.2	Very high	93.1	Very high	22 Å²	22	51 Å²	51	13%	0.133	27%	0.274	C	S	.	.			trans	-134.5	155.3	-175	-60.4	0	0	0	0	110.4	L36 V41 V44 I87 I88 D89 F153	L36-V38 HydrophobicContact CB-CG1 4.48Å; V38-V41 HydrophobicContact CG2-CG2 3.7Å; V38-V44 HydrophobicContact CB-CG2 4.21Å; V38-V44 HydrophobicContact CG1-CG2 4.16Å; V38-V44 HydrophobicContact CG2-CG2 4.28Å; V38-I87 HydrophobicContact CG1-CB 4.49Å; V38-I87 HydrophobicContact CG1-CG2 4.35Å; V38-I87 HydrophobicContact CG2-CB 4.19Å; V38-I88 PolarHBondContact N-O 3.04Å; V38-D89 WeakPolarHBondContact O-CA 3.47Å; V38-F153 HydrophobicContact CG1-CD1 4.23Å; V38-F153 HydrophobicContact CG1-CE1 4.14Å
39	A	95.9	Very high	94.4	Very high	95 Å²	95	48.2 Å²	48.2	79%	0.785	27%	0.266	S	S	*	.	S	Bend	trans	-73.3	-28.3	-179.9	0	0	0	0	0	113.6
40	D	97.5	Very high	95.2	Very high	69 Å²	69	53.9 Å²	53.9	37%	0.369	28%	0.283	S	S	.	.			trans	-152.2	110.5	178.9	-172.3	-28.4	0	0	0	110.1	H42 E43 V44	D40-H42 VanDerWaalsContact C-N 3.34Å; D40-H42 WeakPolarHBondContact OD1-CA 3.42Å; D40-H42 VanDerWaalsContact OD1-CB 3.3Å; D40-H42 WeakPolarHBondContact OD1-CB 3.39Å; D40-H42 PolarHBondContact OD1-N 3.05Å; D40-E43 HydrophobicContact CB-CB 3.9Å; D40-E43 PolarHBondContact O-N 2.95Å; D40-E43 PolarHBondContact OD1-N 3.01Å; D40-V44 WeakPolarHBondContact O-CG2 3.47Å; D40-V44 PolarHBondContact O-N 3.35Å
41	V	98.3	Very high	95.7	Very high	1 Å²	1	58 Å²	58	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-36	178.8	173	0	0	0	0	111.9	V38 V44 C45 P61 V72 I87 D89	V38-V41 HydrophobicContact CG2-CG2 3.7Å; V41-V44 PolarHBondContact O-N 2.77Å; V41-C45 PolarHBondContact O-N 2.82Å; V41-P61 HydrophobicContact CG1-CB 3.87Å; V41-P61 HydrophobicContact CG1-CG 3.99Å; V41-V72 HydrophobicContact CB-CB 4.33Å; V41-V72 HydrophobicContact CB-CG1 3.86Å; V41-V72 HydrophobicContact CG1-CG1 4.06Å; V41-V72 HydrophobicContact CG2-CB 4.26Å; V41-V72 HydrophobicContact CG2-CG1 4.26Å; V41-V72 WeakPolarHBondContact CG2-O 3.35Å; V41-I87 HydrophobicContact CG1-CD1 3.78Å; V41-I87 HydrophobicContact CG1-CG1 3.98Å; V41-D89 HydrophobicContact CG2-CB 3.82Å
42	H	98.1	Very high	95.8	Very high	112 Å²	112	58.3 Å²	58.3	52%	0.519	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-41.2	178.6	-68.3	-88	0	0	0	111.1	D40 C45 E46 P61	D40-H42 VanDerWaalsContact C-N 3.34Å; D40-H42 WeakPolarHBondContact OD1-CA 3.42Å; D40-H42 VanDerWaalsContact OD1-CB 3.3Å; D40-H42 WeakPolarHBondContact OD1-CB 3.39Å; D40-H42 PolarHBondContact OD1-N 3.05Å; H42-C45 PolarHBondContact O-N 2.73Å; H42-E46 WeakPolarHBondContact O-CB 3.36Å; H42-E46 PolarHBondContact O-N 2.63Å; H42-P61 VanDerWaalsContact CE1-CB 3.41Å; H42-P61 WeakPolarHBondContact CE1-CB 3.35Å
43	E	97.9	Very high	96	Very high	85 Å²	85	57.4 Å²	57.4	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-43	178.1	-167.9	-177.3	-173.4	0	0	111.6	D40 E46 R47	D40-E43 HydrophobicContact CB-CB 3.9Å; D40-E43 PolarHBondContact O-N 2.95Å; D40-E43 PolarHBondContact OD1-N 3.01Å; E43-E46 PolarHBondContact O-N 2.87Å; E43-R47 WeakPolarHBondContact O-CG 3.35Å; E43-R47 PolarHBondContact O-N 3.09Å; E43-R47 IonicContact OE1-CZ 3.53Å; E43-R47 IonicContact OE1-NE 2.62Å; E43-R47 PolarHBondContact OE1-NE 3.08Å; E43-R47 IonicContact OE1-NH2 2.76Å; E43-R47 PolarHBondContact OE1-NH2 2.92Å; E43-R47 IonicContact OE2-CZ 3.44Å; E43-R47 IonicContact OE2-NH2 3.55Å; E43-R47 PolarHBondContact OE2-NH2 3.1Å
44	V	98.1	Very high	96	Very high	6 Å²	6	63 Å²	63	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-45.8	176.4	177.2	0	0	0	0	111	V38 D40 V41 E46 R47 V48 I87 V152 F153	V38-V44 HydrophobicContact CB-CG2 4.21Å; V38-V44 HydrophobicContact CG1-CG2 4.16Å; V38-V44 HydrophobicContact CG2-CG2 4.28Å; D40-V44 WeakPolarHBondContact O-CG2 3.47Å; D40-V44 PolarHBondContact O-N 3.35Å; V41-V44 PolarHBondContact O-N 2.77Å; V44-E46 VanDerWaalsContact C-N 3.31Å; V44-E46 PolarHBondContact O-N 3.12Å; V44-R47 PolarHBondContact O-N 2.99Å; V44-V48 WeakPolarHBondContact O-CG2 3.45Å; V44-V48 PolarHBondContact O-N 3Å; V44-I87 HydrophobicContact CB-CD1 3.82Å; V44-I87 HydrophobicContact CG1-CD1 3.66Å; V44-I87 HydrophobicContact CG1-CG2 4.26Å; V44-V152 HydrophobicContact CG1-CG1 3.81Å; V44-F153 HydrophobicContact CG1-CD1 4.29Å; V44-F153 HydrophobicContact CG1-CE1 3.79Å; V44-F153 HydrophobicContact CG1-CZ 4.31Å
45	C	97.7	Very high	95.8	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.034	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-41	174.3	-78.2	0	0	0	0	112.2	V41 H42 V48 S49 I57 P61	V41-C45 PolarHBondContact O-N 2.82Å; H42-C45 PolarHBondContact O-N 2.73Å; C45-V48 PolarHBondContact O-N 2.84Å; C45-S49 WeakPolarHBondContact O-CB 3.46Å; C45-S49 PolarHBondContact O-N 3.1Å; C45-I57 HydrophobicContact CB-CD1 4.01Å; C45-I57 HydrophobicContact CB-CG1 4.47Å; C45-P61 HydrophobicContact CB-CG 4.14Å
46	E	97.2	Very high	95.7	Very high	91 Å²	91	67.9 Å²	67.9	43%	0.425	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-43.6	176.6	-170.3	-173.8	-140.9	0	0	111.7	H42 E43 V44 S49 R50	H42-E46 WeakPolarHBondContact O-CB 3.36Å; H42-E46 PolarHBondContact O-N 2.63Å; E43-E46 PolarHBondContact O-N 2.87Å; V44-E46 VanDerWaalsContact C-N 3.31Å; V44-E46 PolarHBondContact O-N 3.12Å; E46-S49 PolarHBondContact O-N 3.16Å; E46-R50 VanDerWaalsContact CD-NH1 3.25Å; E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 WeakPolarHBondContact O-CG 3.16Å; E46-R50 PolarHBondContact O-N 3.19Å; E46-R50 IonicContact OE1-CZ 3.29Å; E46-R50 VanDerWaalsContact OE1-CZ 3.24Å; E46-R50 IonicContact OE1-NE 3.32Å; E46-R50 IonicContact OE1-NH1 3.35Å; E46-R50 IonicContact OE1-NH2 2.81Å; E46-R50 PolarHBondContact OE1-NH2 2.69Å; E46-R50 IonicContact OE2-CZ 3.66Å; E46-R50 VanDerWaalsContact OE2-CZ 3.25Å; E46-R50 IonicContact OE2-NH1 2.78Å; E46-R50 PolarHBondContact OE2-NH1 3.08Å; E46-R50 IonicContact OE2-NH2 3.98Å; E46-R50 PolarHBondContact OE2-NH2 2.85Å
47	R	97.8	Very high	95.6	Very high	69 Å²	69	67.6 Å²	67.6	26%	0.26	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-43.3	176.3	-68.6	169.2	-175.2	173.7	1.7	111.6	E43 V44 R50 F51 V152	E43-R47 WeakPolarHBondContact O-CG 3.35Å; E43-R47 PolarHBondContact O-N 3.09Å; E43-R47 IonicContact OE1-CZ 3.53Å; E43-R47 IonicContact OE1-NE 2.62Å; E43-R47 PolarHBondContact OE1-NE 3.08Å; E43-R47 IonicContact OE1-NH2 2.76Å; E43-R47 PolarHBondContact OE1-NH2 2.92Å; E43-R47 IonicContact OE2-CZ 3.44Å; E43-R47 IonicContact OE2-NH2 3.55Å; E43-R47 PolarHBondContact OE2-NH2 3.1Å; V44-R47 PolarHBondContact O-N 2.99Å; R47-R50 PolarHBondContact O-N 3.16Å; R47-F51 VanDerWaalsContact O-CB 3.27Å; R47-F51 WeakPolarHBondContact O-CB 3.27Å; R47-F51 PolarHBondContact O-N 3.29Å; R47-V152 WeakPolarHBondContact CD-O 3.17Å; R47-V152 PolarHBondContact NH1-O 3.14Å
48	V	97.5	Very high	95.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-47.9	174.4	171	0	0	0	0	110.9	V44 C45 R50 F51 S52 G53 N56 V76 W148 V152	V44-V48 WeakPolarHBondContact O-CG2 3.45Å; V44-V48 PolarHBondContact O-N 3Å; C45-V48 PolarHBondContact O-N 2.84Å; V48-R50 PolarHBondContact O-N 3.49Å; V48-F51 PolarHBondContact O-N 2.75Å; V48-S52 WeakPolarHBondContact O-CA 3.49Å; V48-S52 WeakPolarHBondContact O-CB 3.44Å; V48-S52 PolarHBondContact O-N 3.39Å; V48-G53 PolarHBondContact O-N 3.07Å; V48-N56 HydrophobicContact CG1-CB 3.78Å; V48-V76 HydrophobicContact CB-CG1 4.39Å; V48-V76 HydrophobicContact CG1-CB 4.27Å; V48-V76 HydrophobicContact CG1-CG1 4.34Å; V48-V76 HydrophobicContact CG2-CB 4.12Å; V48-V76 HydrophobicContact CG2-CG1 4.09Å; V48-V76 HydrophobicContact CG2-CG2 4.16Å; V48-W148 HydrophobicContact CG2-CZ2 4.3Å; V48-V152 HydrophobicContact CG2-CB 4.46Å; V48-V152 HydrophobicContact CG2-CG1 3.55Å; V48-V152 HydrophobicContact CG2-CG2 4.01Å
49	S	95.7	Very high	95.1	Very high	13 Å²	13	61.4 Å²	61.4	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-45.6	178.9	167.7	0	0	0	0	112.1	C45 E46 F51 G53 F54	C45-S49 WeakPolarHBondContact O-CB 3.46Å; C45-S49 PolarHBondContact O-N 3.1Å; E46-S49 PolarHBondContact O-N 3.16Å; S49-F51 PolarHBondContact O-N 2.6Å; S49-G53 WeakPolarHBondContact O-CA 3.04Å; S49-G53 PolarHBondContact O-N 3.39Å; S49-F54 WeakPolarHBondContact OG-CD1 3.17Å; S49-F54 WeakPolarHBondContact OG-CD2 3.25Å; S49-F54 WeakPolarHBondContact OG-CE1 3.16Å; S49-F54 VanDerWaalsContact OG-CE2 3.29Å; S49-F54 WeakPolarHBondContact OG-CE2 2.97Å; S49-F54 VanDerWaalsContact OG-CG 3.29Å; S49-F54 WeakPolarHBondContact OG-CG 3.18Å; S49-F54 WeakPolarHBondContact OG-CZ 3.19Å
50	R	95.2	Very high	95	Very high	177 Å²	177	61.9 Å²	61.9	67%	0.668	30%	0.3	S	S	*	.	H	α-helix	trans	-65	-39.7	178.4	-75.5	177.1	177.5	145.7	2.4	113	E46 R47 V48	E46-R50 VanDerWaalsContact CD-NH1 3.25Å; E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 WeakPolarHBondContact O-CG 3.16Å; E46-R50 PolarHBondContact O-N 3.19Å; E46-R50 IonicContact OE1-CZ 3.29Å; E46-R50 VanDerWaalsContact OE1-CZ 3.24Å; E46-R50 IonicContact OE1-NE 3.32Å; E46-R50 IonicContact OE1-NH1 3.35Å; E46-R50 IonicContact OE1-NH2 2.81Å; E46-R50 PolarHBondContact OE1-NH2 2.69Å; E46-R50 IonicContact OE2-CZ 3.66Å; E46-R50 VanDerWaalsContact OE2-CZ 3.25Å; E46-R50 IonicContact OE2-NH1 2.78Å; E46-R50 PolarHBondContact OE2-NH1 3.08Å; E46-R50 IonicContact OE2-NH2 3.98Å; E46-R50 PolarHBondContact OE2-NH2 2.85Å; R47-R50 PolarHBondContact O-N 3.16Å; V48-R50 PolarHBondContact O-N 3.49Å
51	F	93.1	Very high	95	Very high	98 Å²	98	59.8 Å²	59.8	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-94.1	-30	-169.6	-164.9	-105.1	0	0	0	113.7	R47 V48 S49 N147 W148 T151	R47-F51 VanDerWaalsContact O-CB 3.27Å; R47-F51 WeakPolarHBondContact O-CB 3.27Å; R47-F51 PolarHBondContact O-N 3.29Å; V48-F51 PolarHBondContact O-N 2.75Å; S49-F51 PolarHBondContact O-N 2.6Å; F51-N147 WeakPolarHBondContact CZ-ND2 3.49Å; F51-W148 AromaticContact CD1-CD1 3.7Å; F51-W148 HydrophobicContact CE1-CB 4.48Å; F51-W148 AromaticContact CE1-CD1 3.9Å; F51-T151 HydrophobicContact CB-CG2 4.22Å; F51-T151 HydrophobicContact CD1-CG2 4.39Å; F51-T151 HydrophobicContact CD2-CG2 3.73Å; F51-T151 HydrophobicContact CE2-CG2 4.2Å; F51-T151 HydrophobicContact CG-CG2 3.84Å
52	S	91.5	Very high	94.9	Very high	49 Å²	49	61.4 Å²	61.4	34%	0.343	30%	0.3	S	S	.	.	H	α-helix	trans	-124	-17.7	-175.1	-56.3	0	0	0	0	113.2	V48 N56 W148	V48-S52 WeakPolarHBondContact O-CA 3.49Å; V48-S52 WeakPolarHBondContact O-CB 3.44Å; V48-S52 PolarHBondContact O-N 3.39Å; S52-N56 PolarHBondContact O-ND2 2.86Å; S52-W148 PolarHBondContact OG-NE1 2.93Å; S52-W148 VanDerWaalsContact OG-NE1 3.14Å
53	G	92.5	Very high	94.8	Very high	27 Å²	27	59.8 Å²	59.8	28%	0.278	30%	0.298	S	S	.	.			trans	104	152.4	179.6	0	0	0	0	0	113.3	V48 S49 D55 N56	V48-G53 PolarHBondContact O-N 3.07Å; S49-G53 WeakPolarHBondContact O-CA 3.04Å; S49-G53 PolarHBondContact O-N 3.39Å; G53-D55 VanDerWaalsContact C-N 3.26Å; G53-D55 PolarHBondContact O-N 2.76Å; G53-N56 WeakPolarHBondContact O-CB 3.48Å; G53-N56 PolarHBondContact O-N 2.95Å; G53-N56 VanDerWaalsContact O-N 3.13Å; G53-N56 PolarHBondContact O-ND2 2.9Å; G53-N56 VanDerWaalsContact O-ND2 3.14Å
54	F	91.6	Very high	94.7	Very high	151 Å²	151	56.9 Å²	56.9	66%	0.662	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-58.3	-32	-175.7	-69.9	-86.3	0	0	0	114	S49 N56 I57	S49-F54 WeakPolarHBondContact OG-CD1 3.17Å; S49-F54 WeakPolarHBondContact OG-CD2 3.25Å; S49-F54 WeakPolarHBondContact OG-CE1 3.16Å; S49-F54 VanDerWaalsContact OG-CE2 3.29Å; S49-F54 WeakPolarHBondContact OG-CE2 2.97Å; S49-F54 VanDerWaalsContact OG-CG 3.29Å; S49-F54 WeakPolarHBondContact OG-CG 3.18Å; S49-F54 WeakPolarHBondContact OG-CZ 3.19Å; F54-N56 PolarHBondContact O-N 2.82Å; F54-I57 PolarHBondContact O-N 2.88Å
55	D	91.8	Very high	94.6	Very high	145 Å²	145	61 Å²	61	78%	0.775	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-66.3	-3.5	179.4	-59.9	-28.7	0	0	0	113.8	G53	G53-D55 VanDerWaalsContact C-N 3.26Å; G53-D55 PolarHBondContact O-N 2.76Å
56	N	93.3	Very high	94.4	Very high	38 Å²	38	63 Å²	63	20%	0.203	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-94.3	-1.1	173.5	-62.3	-72.4	0	0	0	113.6	V48 S52 G53 F54 V76 K77	V48-N56 HydrophobicContact CG1-CB 3.78Å; S52-N56 PolarHBondContact O-ND2 2.86Å; G53-N56 WeakPolarHBondContact O-CB 3.48Å; G53-N56 PolarHBondContact O-N 2.95Å; G53-N56 VanDerWaalsContact O-N 3.13Å; G53-N56 PolarHBondContact O-ND2 2.9Å; G53-N56 VanDerWaalsContact O-ND2 3.14Å; F54-N56 PolarHBondContact O-N 2.82Å; N56-V76 CarbonylContact O-C 3.36Å; N56-V76 VanDerWaalsContact O-CA 3.25Å; N56-V76 WeakPolarHBondContact O-CA 3.46Å; N56-K77 HydrophobicContact CB-CB 4.11Å; N56-K77 PolarHBondContact O-N 2.92Å
57	I	93.8	Very high	94.3	Very high	21 Å²	21	70.1 Å²	70.1	11%	0.108	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.7	167.3	-55.4	169.6	0	0	0	107.1	C45 F54 E60	C45-I57 HydrophobicContact CB-CD1 4.01Å; C45-I57 HydrophobicContact CB-CG1 4.47Å; F54-I57 PolarHBondContact O-N 2.88Å; I57-E60 HydrophobicContact CG2-CG 4.24Å; I57-E60 WeakPolarHBondContact CG2-OE1 3.49Å
58	L	91.4	Very high	94.2	Very high	38 Å²	38	70.9 Å²	70.9	20%	0.199	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-34.6	-177.5	-57	-173.7	0	0	0	112.2	V75 K77 L84	L58-V75 HydrophobicContact CB-CB 4.35Å; L58-V75 HydrophobicContact CB-CG1 4.24Å; L58-V75 HydrophobicContact CD1-CG1 4.36Å; L58-V75 PolarHBondContact N-O 3.23Å; L58-K77 HydrophobicContact CD1-CG 3.86Å; L58-K77 HydrophobicContact CD2-CD 4.15Å; L58-K77 HydrophobicContact CD2-CG 4.04Å; L58-K77 HydrophobicContact CG-CG 4.03Å; L58-L84 HydrophobicContact CD1-CD1 4.02Å; L58-L84 HydrophobicContact CD1-CD2 3.54Å; L58-L84 HydrophobicContact CD1-CG 4.4Å
59	L	92.3	Very high	94.1	Very high	0 Å²	0	72 Å²	72	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	112.5	169.9	175.5	61	0	0	0	107.7	K16 Y17 E20 L73 G74 V75	K16-L59 HydrophobicContact CB-CD1 4.5Å; K16-L59 HydrophobicContact CD-CD1 4.21Å; K16-L59 HydrophobicContact CG-CD1 4.29Å; Y17-L59 HydrophobicContact CD2-CD2 4.47Å; E20-L59 WeakPolarHBondContact OE2-CD1 3.49Å; L59-L73 HydrophobicContact CD2-CD2 3.47Å; L59-L73 VanDerWaalsContact CD2-CD2 3.47Å; L59-G74 VanDerWaalsContact O-CA 3.3Å; L59-G74 WeakPolarHBondContact O-CA 3.29Å; L59-V75 HydrophobicContact CB-CB 3.89Å; L59-V75 HydrophobicContact CB-CG2 3.98Å; L59-V75 HydrophobicContact CD2-CG2 4.22Å; L59-V75 PolarHBondContact N-O 3.19Å; L59-V75 VanDerWaalsContact N-O 3.14Å; L59-V75 PolarHBondContact O-N 3.07Å
60	E	93.8	Very high	94.2	Very high	105 Å²	105	75 Å²	75	49%	0.491	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	149.4	172.4	-70.3	-65.9	160.6	0	0	110.6	I57 T62	I57-E60 HydrophobicContact CG2-CG 4.24Å; I57-E60 WeakPolarHBondContact CG2-OE1 3.49Å; E60-T62 PolarHBondContact O-N 3.09Å; E60-T62 PolarHBondContact O-OG1 2.91Å
61	P	96.7	Very high	94.3	Very high	25 Å²	25	66.7 Å²	66.7	16%	0.162	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	112.2	179.7	-25.8	33.2	0	0	0	111.3	V41 H42 C45 V72	V41-P61 HydrophobicContact CG1-CB 3.87Å; V41-P61 HydrophobicContact CG1-CG 3.99Å; H42-P61 VanDerWaalsContact CE1-CB 3.41Å; H42-P61 WeakPolarHBondContact CE1-CB 3.35Å; C45-P61 HydrophobicContact CB-CG 4.14Å; P61-V72 HydrophobicContact CB-CG1 3.92Å
62	T	95.9	Very high	94.5	Very high	35 Å²	35	62.7 Å²	62.7	22%	0.215	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.8	-174.4	-62.2	0	0	0	0	108.9	E60 Y64 L73	E60-T62 PolarHBondContact O-N 3.09Å; E60-T62 PolarHBondContact O-OG1 2.91Å; T62-Y64 HydrophobicContact CG2-CE1 4.2Å; T62-Y64 HydrophobicContact CG2-CE2 3.81Å; T62-L73 PolarHBondContact N-O 3.14Å; T62-L73 PolarHBondContact O-N 2.99Å
63	T	96.4	Very high	94.8	Very high	77 Å²	77	60.7 Å²	60.7	47%	0.472	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.6	177.7	-55.1	0	0	0	0	111.1	K70 I71	T63-K70 HydrophobicContact CG2-CB 4.13Å; T63-K70 HydrophobicContact CG2-CD 4.07Å; T63-I71 WeakPolarHBondContact CA-O 3.21Å
64	Y	95.2	Very high	94.9	Very high	25 Å²	25	59.4 Å²	59.4	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145	169.2	-59.5	-82.1	0	0	0	109.3	P14 F15 K16 T62 K70 I71 L73	P14-Y64 WeakPolarHBondContact O-CE1 3.46Å; F15-Y64 HydrophobicContact CB-CE1 4.28Å; F15-Y64 AromaticContact CD1-CD1 3.47Å; F15-Y64 HydrophobicContact CD1-CD1 3.47Å; F15-Y64 VanDerWaalsContact CD1-CD1 3.47Å; F15-Y64 AromaticContact CD1-CD2 3.82Å; F15-Y64 HydrophobicContact CD1-CD2 3.82Å; F15-Y64 AromaticContact CD1-CE1 3.52Å; F15-Y64 HydrophobicContact CD1-CE1 3.52Å; F15-Y64 AromaticContact CD1-CE2 3.83Å; F15-Y64 HydrophobicContact CD1-CE2 3.83Å; F15-Y64 AromaticContact CD1-CG 3.64Å; F15-Y64 HydrophobicContact CD1-CG 3.64Å; F15-Y64 AromaticContact CD1-CZ 3.68Å; F15-Y64 AromaticContact CE1-CD1 3.72Å; F15-Y64 HydrophobicContact CE1-CD1 3.72Å; F15-Y64 AromaticContact CE1-CD2 3.98Å; F15-Y64 HydrophobicContact CE1-CD2 3.98Å; F15-Y64 HydrophobicContact CE1-CE1 4.25Å; F15-Y64 HydrophobicContact CE1-CE2 4.45Å; F15-Y64 AromaticContact CE1-CG 3.58Å; F15-Y64 HydrophobicContact CE1-CG 3.58Å; F15-Y64 HydrophobicContact CG-CD1 4.49Å; F15-Y64 HydrophobicContact CG-CE1 4.27Å; K16-Y64 WeakPolarHBondContact CB-OH 3.47Å; K16-Y64 PolarHBondContact N-OH 2.77Å; T62-Y64 HydrophobicContact CG2-CE1 4.2Å; T62-Y64 HydrophobicContact CG2-CE2 3.81Å; Y64-K70 CarbonylContact O-C 3.56Å; Y64-K70 WeakPolarHBondContact O-CA 3Å; Y64-K70 WeakPolarHBondContact O-CB 3.48Å; Y64-I71 HydrophobicContact CD2-CD1 4.37Å; Y64-I71 HydrophobicContact CD2-CG1 4.33Å; Y64-I71 PolarHBondContact N-O 2.97Å; Y64-I71 PolarHBondContact O-N 3.47Å; Y64-L73 HydrophobicContact CD2-CB 4.13Å; Y64-L73 HydrophobicContact CE2-CB 4.01Å
65	T	95.8	Very high	95.1	Very high	93 Å²	93	52.2 Å²	52.2	57%	0.571	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	142.6	-170.7	-55.6	0	0	0	0	110.5	G69 K70	T65-G69 VanDerWaalsContact CA-O 3.31Å; T65-G69 WeakPolarHBondContact CA-O 3.25Å; T65-G69 VanDerWaalsContact CG2-O 3.28Å; T65-G69 WeakPolarHBondContact CG2-O 3.27Å; T65-K70 HydrophobicContact CG2-CB 4.22Å; T65-K70 VanDerWaalsContact OG1-CB 3.3Å; T65-K70 WeakPolarHBondContact OG1-CB 3.28Å
66	D	94.3	Very high	95.3	Very high	47 Å²	47	45.3 Å²	45.3	25%	0.251	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	-156	164.3	68.7	15.1	0	0	0	110.5	D68 G69 Y93 P99 G100	D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.37Å; D66-D68 PolarHBondContact OD1-N 2.99Å; D66-G69 PolarHBondContact N-O 2.87Å; D66-Y93 VanDerWaalsContact OD1-CE2 3.31Å; D66-Y93 WeakPolarHBondContact OD1-CE2 3.16Å; D66-Y93 PolarHBondContact OD2-OH 3.16Å; D66-P99 HydrophobicContact CB-CB 4.19Å; D66-P99 WeakPolarHBondContact OD2-CA 3.45Å; D66-G100 PolarHBondContact OD2-N 2.92Å
67	Y	94.4	Very high	95.3	Very high	240 Å²	240	46.2 Å²	46.2	94%	0.941	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.3	-179.2	-62.7	-71.4	0	0	0	114
68	D	95.3	Very high	95.4	Very high	85 Å²	85	45.7 Å²	45.7	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3.7	-176.3	-60.7	-42.7	0	0	0	112.9	D66 Y93 E94	D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.37Å; D66-D68 PolarHBondContact OD1-N 2.99Å; D68-Y93 HydrophobicContact CB-CE2 4.03Å; D68-E94 PolarHBondContact O-N 2.89Å
69	G	96.8	Very high	95.6	Very high	23 Å²	23	45.6 Å²	45.6	24%	0.237	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.4	-149.7	171.7	0	0	0	0	0	112.8	T65 D66 Q92	T65-G69 VanDerWaalsContact CA-O 3.31Å; T65-G69 WeakPolarHBondContact CA-O 3.25Å; T65-G69 VanDerWaalsContact CG2-O 3.28Å; T65-G69 WeakPolarHBondContact CG2-O 3.27Å; D66-G69 PolarHBondContact N-O 2.87Å; G69-Q92 WeakPolarHBondContact CA-O 3.32Å
70	K	97	Very high	95.7	Very high	77 Å²	77	45.6 Å²	45.6	34%	0.335	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.3	-178.4	69	175.5	179.2	178.1	0	112.7	T63 Y64 T65 Q92	T63-K70 HydrophobicContact CG2-CB 4.13Å; T63-K70 HydrophobicContact CG2-CD 4.07Å; Y64-K70 CarbonylContact O-C 3.56Å; Y64-K70 WeakPolarHBondContact O-CA 3Å; Y64-K70 WeakPolarHBondContact O-CB 3.48Å; T65-K70 HydrophobicContact CG2-CB 4.22Å; T65-K70 VanDerWaalsContact OG1-CB 3.3Å; T65-K70 WeakPolarHBondContact OG1-CB 3.28Å; K70-Q92 VanDerWaalsContact CE-CD 3.4Å; K70-Q92 HydrophobicContact CG-CB 4.01Å; K70-Q92 PolarHBondContact N-O 3.31Å; K70-Q92 CarbonylContact O-C 3.29Å; K70-Q92 VanDerWaalsContact O-C 3.29Å
71	I	97.7	Very high	95.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	155.4	167.2	67.8	170.5	0	0	0	109.6	T63 Y64 I88 D89 Y93 L98 P99	T63-I71 WeakPolarHBondContact CA-O 3.21Å; Y64-I71 HydrophobicContact CD2-CD1 4.37Å; Y64-I71 HydrophobicContact CD2-CG1 4.33Å; Y64-I71 PolarHBondContact N-O 2.97Å; Y64-I71 PolarHBondContact O-N 3.47Å; I71-I88 HydrophobicContact CB-CG2 4.45Å; I71-I88 HydrophobicContact CD1-CG2 4.43Å; I71-D89 CarbonylContact C-O 3.57Å; I71-D89 VanDerWaalsContact CA-O 3.24Å; I71-D89 WeakPolarHBondContact CA-O 3.28Å; I71-Y93 HydrophobicContact CG2-CD1 4.11Å; I71-Y93 HydrophobicContact CG2-CD2 4.26Å; I71-Y93 HydrophobicContact CG2-CG 3.73Å; I71-L98 HydrophobicContact CD1-CB 4.45Å; I71-L98 HydrophobicContact CD1-CD2 3.57Å; I71-P99 HydrophobicContact CD1-CG 4.23Å; I71-P99 HydrophobicContact CG1-CG 4Å; I71-P99 HydrophobicContact CG2-CG 4.34Å
72	V	97.8	Very high	94.9	Very high	15 Å²	15	47 Å²	47	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	161.3	-172.6	0	0	0	0	107.4	V41 P61 I88 D89	V41-V72 HydrophobicContact CB-CB 4.33Å; V41-V72 HydrophobicContact CB-CG1 3.86Å; V41-V72 HydrophobicContact CG1-CG1 4.06Å; V41-V72 HydrophobicContact CG2-CB 4.26Å; V41-V72 HydrophobicContact CG2-CG1 4.26Å; V41-V72 WeakPolarHBondContact CG2-O 3.35Å; P61-V72 HydrophobicContact CB-CG1 3.92Å; V72-I88 WeakPolarHBondContact O-CA 3.26Å; V72-D89 HydrophobicContact CB-CB 4.36Å; V72-D89 PolarHBondContact N-O 3.41Å; V72-D89 PolarHBondContact O-N 2.72Å
73	L	96.7	Very high	94.7	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.3	-179.8	-175.6	154.7	0	0	0	109.6	Y17 L59 T62 Y64 V75 T86 I87 I88	Y17-L73 HydrophobicContact CD2-CD2 4.28Å; L59-L73 HydrophobicContact CD2-CD2 3.47Å; L59-L73 VanDerWaalsContact CD2-CD2 3.47Å; T62-L73 PolarHBondContact N-O 3.14Å; T62-L73 PolarHBondContact O-N 2.99Å; Y64-L73 HydrophobicContact CD2-CB 4.13Å; Y64-L73 HydrophobicContact CE2-CB 4.01Å; L73-V75 HydrophobicContact CD2-CG2 4.19Å; L73-T86 HydrophobicContact CD1-CG2 4.06Å; L73-T86 HydrophobicContact CD2-CG2 4.33Å; L73-T86 HydrophobicContact CG-CG2 4.06Å; L73-I87 WeakPolarHBondContact CA-O 3.35Å; L73-I88 HydrophobicContact CD1-CD1 4.29Å; L73-I88 HydrophobicContact CD1-CG1 4.17Å; L73-I88 HydrophobicContact CG-CG1 4.26Å
74	G	95.9	Very high	94.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	166.5	170.3	0	0	0	0	0	110.5	L59 I87	L59-G74 VanDerWaalsContact O-CA 3.3Å; L59-G74 WeakPolarHBondContact O-CA 3.29Å; G74-I87 PolarHBondContact N-O 2.86Å; G74-I87 WeakPolarHBondContact O-CG1 3.45Å; G74-I87 PolarHBondContact O-N 2.8Å
75	V	95.4	Very high	94.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.9	174.6	-177.2	0	0	0	0	109.5	Y17 I21 L58 L59 L73 L84 H85 T86	Y17-V75 HydrophobicContact CD2-CG2 3.65Å; Y17-V75 HydrophobicContact CE2-CG2 3.7Å; I21-V75 HydrophobicContact CD1-CB 3.84Å; I21-V75 HydrophobicContact CD1-CG1 3.85Å; I21-V75 HydrophobicContact CD1-CG2 3.53Å; L58-V75 HydrophobicContact CB-CB 4.35Å; L58-V75 HydrophobicContact CB-CG1 4.24Å; L58-V75 HydrophobicContact CD1-CG1 4.36Å; L58-V75 PolarHBondContact N-O 3.23Å; L59-V75 HydrophobicContact CB-CB 3.89Å; L59-V75 HydrophobicContact CB-CG2 3.98Å; L59-V75 HydrophobicContact CD2-CG2 4.22Å; L59-V75 PolarHBondContact N-O 3.19Å; L59-V75 VanDerWaalsContact N-O 3.14Å; L59-V75 PolarHBondContact O-N 3.07Å; L73-V75 HydrophobicContact CD2-CG2 4.19Å; V75-L84 HydrophobicContact CG1-CB 4.45Å; V75-L84 HydrophobicContact CG1-CD1 4.49Å; V75-H85 WeakPolarHBondContact CA-O 3.27Å; V75-T86 HydrophobicContact CG2-CG2 4.47Å
76	V	95.3	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.7	-178.7	-59.9	0	0	0	0	111.3	V48 N56 L84 H85 I87	V48-V76 HydrophobicContact CB-CG1 4.39Å; V48-V76 HydrophobicContact CG1-CB 4.27Å; V48-V76 HydrophobicContact CG1-CG1 4.34Å; V48-V76 HydrophobicContact CG2-CB 4.12Å; V48-V76 HydrophobicContact CG2-CG1 4.09Å; V48-V76 HydrophobicContact CG2-CG2 4.16Å; N56-V76 CarbonylContact O-C 3.36Å; N56-V76 VanDerWaalsContact O-CA 3.25Å; N56-V76 WeakPolarHBondContact O-CA 3.46Å; V76-L84 WeakPolarHBondContact O-CA 3.28Å; V76-H85 HydrophobicContact CG2-CB 3.93Å; V76-H85 PolarHBondContact N-O 2.91Å; V76-H85 PolarHBondContact O-N 3.42Å; V76-I87 HydrophobicContact CG1-CD1 4.17Å
77	K	94.3	Very high	94.8	Very high	56 Å²	56	34.8 Å²	34.8	24%	0.243	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137	166.7	-73.8	175.2	171.4	153.5	0	110.1	W24 N56 L58 L84	W24-K77 VanDerWaalsContact CZ3-CE 3.43Å; N56-K77 HydrophobicContact CB-CB 4.11Å; N56-K77 PolarHBondContact O-N 2.92Å; L58-K77 HydrophobicContact CD1-CG 3.86Å; L58-K77 HydrophobicContact CD2-CD 4.15Å; L58-K77 HydrophobicContact CD2-CG 4.04Å; L58-K77 HydrophobicContact CG-CG 4.03Å; K77-L84 HydrophobicContact CB-CD2 4.5Å; K77-L84 HydrophobicContact CG-CD2 3.84Å
78	S	95.1	Very high	94.9	Very high	10 Å²	10	24.2 Å²	24.2	7%	0.07	15%	0.145	C	C	.	.			trans	-75.3	167.7	169.4	-165.7	0	0	0	0	111.2	V80 L83 H85	S78-V80 PolarHBondContact O-N 3.39Å; S78-V80 PolarHBondContact OG-N 3.26Å; S78-L83 WeakPolarHBondContact CB-O 3.45Å; S78-L83 PolarHBondContact N-O 3.03Å; S78-H85 PolarHBondContact OG-NE2 2.96Å
79	C	95	Very high	95.1	Very high	36 Å²	36	21 Å²	21	24%	0.243	13%	0.128	C	C	.	.	S	Bend	trans	-72.5	-12	163.6	61.9	0	0	0	0	113.2	G81 W148	C79-G81 PolarHBondContact O-N 3.26Å; C79-W148 HydrophobicContact CB-CB 3.87Å; C79-W148 HydrophobicContact CB-CD2 3.85Å; C79-W148 HydrophobicContact CB-CG 3.49Å; C79-W148 VanDerWaalsContact CB-CG 3.49Å; C79-W148 WeakPolarHBondContact SG-CB 3.12Å
80	V	95.2	Very high	95.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-90.8	90	-174.2	-177.9	0	0	0	0	109.4	S78 N82 L83 I135 F145 Y149 P225	S78-V80 PolarHBondContact O-N 3.39Å; S78-V80 PolarHBondContact OG-N 3.26Å; V80-N82 PolarHBondContact O-N 3.39Å; V80-L83 HydrophobicContact CB-CB 4.07Å; V80-L83 HydrophobicContact CB-CD2 3.89Å; V80-L83 HydrophobicContact CG1-CB 4.35Å; V80-L83 HydrophobicContact CG1-CD2 4.15Å; V80-L83 HydrophobicContact CG2-CD2 4.27Å; V80-L83 WeakPolarHBondContact O-CB 3.3Å; V80-L83 PolarHBondContact O-N 3.15Å; V80-I135 HydrophobicContact CB-CG2 4.25Å; V80-I135 HydrophobicContact CG1-CG2 3.41Å; V80-I135 VanDerWaalsContact CG1-CG2 3.41Å; V80-I135 HydrophobicContact CG2-CD1 4.5Å; V80-I135 HydrophobicContact CG2-CG2 3.85Å; V80-F145 HydrophobicContact CB-CE1 4.31Å; V80-F145 HydrophobicContact CB-CZ 4.28Å; V80-F145 HydrophobicContact CG1-CE2 4.32Å; V80-F145 HydrophobicContact CG1-CZ 4.06Å; V80-F145 HydrophobicContact CG2-CD1 3.82Å; V80-F145 HydrophobicContact CG2-CD2 4.15Å; V80-F145 HydrophobicContact CG2-CE1 3.8Å; V80-F145 HydrophobicContact CG2-CE2 4.12Å; V80-F145 HydrophobicContact CG2-CG 4.01Å; V80-F145 HydrophobicContact CG2-CZ 3.95Å; V80-Y149 HydrophobicContact CG2-CE2 4.23Å; V80-P225 HydrophobicContact CG1-CB 3.88Å
81	G	87.8	Confident	95.1	Very high	53 Å²	53	21.1 Å²	21.1	55%	0.546	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	-107.2	174.6	0	0	0	0	0	112.5	C79	C79-G81 PolarHBondContact O-N 3.26Å
82	N	84.9	Confident	95	Very high	107 Å²	107	26 Å²	26	57%	0.572	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	2.3	-172.8	-97.5	-21.2	0	0	0	113.8	R28 V80	R28-N82 PolarHBondContact NH1-O 2.9Å; R28-N82 VanDerWaalsContact NH2-CG 3.3Å; R28-N82 PolarHBondContact NH2-O 2.94Å; R28-N82 PolarHBondContact NH2-OD1 3.31Å; V80-N82 PolarHBondContact O-N 3.39Å
83	L	92.1	Very high	95	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.031	16%	0.157	C	C	.	.			trans	-67.9	138.1	-177.9	-174.5	69.3	0	0	0	111.4	I34 S78 V80 I135 L227	I34-L83 HydrophobicContact CD1-CD1 3.89Å; I34-L83 HydrophobicContact CD1-CD2 3.91Å; I34-L83 HydrophobicContact CD1-CG 4.32Å; I34-L83 HydrophobicContact CG1-CD1 4.12Å; S78-L83 WeakPolarHBondContact CB-O 3.45Å; S78-L83 PolarHBondContact N-O 3.03Å; V80-L83 HydrophobicContact CB-CB 4.07Å; V80-L83 HydrophobicContact CB-CD2 3.89Å; V80-L83 HydrophobicContact CG1-CB 4.35Å; V80-L83 HydrophobicContact CG1-CD2 4.15Å; V80-L83 HydrophobicContact CG2-CD2 4.27Å; V80-L83 WeakPolarHBondContact O-CB 3.3Å; V80-L83 PolarHBondContact O-N 3.15Å; L83-I135 HydrophobicContact CD2-CD1 3.86Å; L83-I135 HydrophobicContact CD2-CG1 4.4Å; L83-L227 HydrophobicContact CD1-CB 4.23Å
84	L	94	Very high	95	Very high	5 Å²	5	34 Å²	34	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	159.3	175.5	-52.8	-175.9	0	0	0	110.4	I21 F32 D33 I34 L58 V75 V76 K77	I21-L84 HydrophobicContact CG2-CD1 4.36Å; F32-L84 HydrophobicContact CD2-CD1 4.19Å; F32-L84 HydrophobicContact CD2-CG 4.48Å; F32-L84 HydrophobicContact CE2-CD1 4.36Å; F32-L84 PolarHBondContact O-N 3.37Å; D33-L84 WeakPolarHBondContact CA-O 3.05Å; D33-L84 HydrophobicContact CB-CB 4.22Å; I34-L84 PolarHBondContact N-O 3.33Å; L58-L84 HydrophobicContact CD1-CD1 4.02Å; L58-L84 HydrophobicContact CD1-CD2 3.54Å; L58-L84 HydrophobicContact CD1-CG 4.4Å; V75-L84 HydrophobicContact CG1-CB 4.45Å; V75-L84 HydrophobicContact CG1-CD1 4.49Å; V76-L84 WeakPolarHBondContact O-CA 3.28Å; K77-L84 HydrophobicContact CB-CD2 4.5Å; K77-L84 HydrophobicContact CG-CD2 3.84Å
85	H	96.2	Very high	94.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.1	164	-64.7	-67	0	0	0	109.6	D33 I34 V75 V76 S78 I87 W148 Y149 F153	D33-H85 WeakPolarHBondContact OD1-CA 3.39Å; I34-H85 WeakPolarHBondContact O-CA 3.48Å; I34-H85 PolarHBondContact O-ND1 2.86Å; I34-H85 VanDerWaalsContact O-ND1 3.14Å; V75-H85 WeakPolarHBondContact CA-O 3.27Å; V76-H85 HydrophobicContact CG2-CB 3.93Å; V76-H85 PolarHBondContact N-O 2.91Å; V76-H85 PolarHBondContact O-N 3.42Å; S78-H85 PolarHBondContact OG-NE2 2.96Å; H85-I87 HydrophobicContact CB-CG2 4.29Å; H85-W148 AromaticContact CD2-CH2 3.77Å; H85-W148 AromaticContact NE2-CZ3 3.98Å; H85-Y149 AromaticContact CE1-CE1 3.97Å; H85-Y149 AromaticContact CE1-CZ 3.9Å; H85-Y149 PolarHBondContact CE1-OH 3.3Å; H85-Y149 AromaticContact NE2-CE1 3.83Å; H85-Y149 AromaticContact NE2-CZ 3.57Å; H85-Y149 PolarHBondContact NE2-OH 3.35Å; H85-F153 HydrophobicContact CB-CZ 4.1Å; H85-F153 AromaticContact CD2-CE2 3.95Å
86	T	95.6	Very high	94.5	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.2	156.3	-69.6	0	0	0	0	108.4	Y17 D33 A35 L36 L73 V75 I88	Y17-T86 WeakPolarHBondContact CE2-OG1 3.37Å; D33-T86 PolarHBondContact OD1-N 3.26Å; D33-T86 PolarHBondContact OD2-OG1 2.84Å; A35-T86 CarbonylContact C-O 3.52Å; A35-T86 WeakPolarHBondContact CA-O 3.48Å; A35-T86 HydrophobicContact CB-CG2 4.46Å; L36-T86 PolarHBondContact N-O 3.15Å; L73-T86 HydrophobicContact CD1-CG2 4.06Å; L73-T86 HydrophobicContact CD2-CG2 4.33Å; L73-T86 HydrophobicContact CG-CG2 4.06Å; V75-T86 HydrophobicContact CG2-CG2 4.47Å; T86-I88 HydrophobicContact CG2-CD1 3.96Å; T86-I88 HydrophobicContact CG2-CG1 3.81Å
87	I	97.8	Very high	94.3	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.1	-179.8	50.3	169.9	0	0	0	109	L36 V38 V41 V44 L73 G74 V76 H85 F153	L36-I87 WeakPolarHBondContact O-CA 3.41Å; V38-I87 HydrophobicContact CG1-CB 4.49Å; V38-I87 HydrophobicContact CG1-CG2 4.35Å; V38-I87 HydrophobicContact CG2-CB 4.19Å; V41-I87 HydrophobicContact CG1-CD1 3.78Å; V41-I87 HydrophobicContact CG1-CG1 3.98Å; V44-I87 HydrophobicContact CB-CD1 3.82Å; V44-I87 HydrophobicContact CG1-CD1 3.66Å; V44-I87 HydrophobicContact CG1-CG2 4.26Å; L73-I87 WeakPolarHBondContact CA-O 3.35Å; G74-I87 PolarHBondContact N-O 2.86Å; G74-I87 WeakPolarHBondContact O-CG1 3.45Å; G74-I87 PolarHBondContact O-N 2.8Å; V76-I87 HydrophobicContact CG1-CD1 4.17Å; H85-I87 HydrophobicContact CB-CG2 4.29Å; I87-F153 HydrophobicContact CG2-CE1 3.7Å; I87-F153 HydrophobicContact CG2-CZ 3.94Å
88	I	97.7	Very high	94.2	Very high	18 Å²	18	43.3 Å²	43.3	9%	0.092	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.7	-169.7	-49.6	178.1	0	0	0	109	L36 E37 V38 I71 V72 L73 T86 L98	L36-I88 PolarHBondContact O-N 2.79Å; E37-I88 CarbonylContact C-O 3.57Å; E37-I88 VanDerWaalsContact CA-O 3.25Å; E37-I88 WeakPolarHBondContact CA-O 3.46Å; V38-I88 PolarHBondContact N-O 3.04Å; I71-I88 HydrophobicContact CB-CG2 4.45Å; I71-I88 HydrophobicContact CD1-CG2 4.43Å; V72-I88 WeakPolarHBondContact O-CA 3.26Å; L73-I88 HydrophobicContact CD1-CD1 4.29Å; L73-I88 HydrophobicContact CD1-CG1 4.17Å; L73-I88 HydrophobicContact CG-CG1 4.26Å; T86-I88 HydrophobicContact CG2-CD1 3.96Å; T86-I88 HydrophobicContact CG2-CG1 3.81Å; I88-L98 HydrophobicContact CD1-CD2 4.23Å; I88-L98 HydrophobicContact CG2-CD2 4.29Å
89	D	98.1	Very high	94.1	Very high	18 Å²	18	43.3 Å²	43.3	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	107.1	162.7	170	12.7	0	0	0	107.7	V38 V41 I71 V72 S91	V38-D89 WeakPolarHBondContact O-CA 3.47Å; V41-D89 HydrophobicContact CG2-CB 3.82Å; I71-D89 CarbonylContact C-O 3.57Å; I71-D89 VanDerWaalsContact CA-O 3.24Å; I71-D89 WeakPolarHBondContact CA-O 3.28Å; V72-D89 HydrophobicContact CB-CB 4.36Å; V72-D89 PolarHBondContact N-O 3.41Å; V72-D89 PolarHBondContact O-N 2.72Å; D89-S91 WeakPolarHBondContact OD1-CB 3.2Å; D89-S91 PolarHBondContact OD1-N 3.25Å; D89-S91 PolarHBondContact OD1-OG 2.79Å
90	S	96.9	Very high	93.8	Very high	25 Å²	25	44.5 Å²	44.5	18%	0.175	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	11.2	176.7	26.2	0	0	0	0	113.4	E37 Q92 Y93	E37-S90 PolarHBondContact OE1-OG 3.06Å; S90-Q92 PolarHBondContact O-N 2.85Å; S90-Y93 PolarHBondContact O-N 3.3Å
91	S	97	Very high	93.5	Very high	78 Å²	78	50 Å²	50	55%	0.545	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	-13.6	-175.7	64.4	0	0	0	0	115.1	D89	D89-S91 WeakPolarHBondContact OD1-CB 3.2Å; D89-S91 PolarHBondContact OD1-N 3.25Å; D89-S91 PolarHBondContact OD1-OG 2.79Å
92	Q	97.3	Very high	93.2	Very high	104 Å²	104	50.9 Å²	50.9	49%	0.486	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	22.7	179.5	-69.1	172.6	68.4	0	0	112.4	G69 K70 S90	G69-Q92 WeakPolarHBondContact CA-O 3.32Å; K70-Q92 VanDerWaalsContact CE-CD 3.4Å; K70-Q92 HydrophobicContact CG-CB 4.01Å; K70-Q92 PolarHBondContact N-O 3.31Å; K70-Q92 CarbonylContact O-C 3.29Å; K70-Q92 VanDerWaalsContact O-C 3.29Å; S90-Q92 PolarHBondContact O-N 2.85Å
93	Y	97.4	Very high	92.9	Very high	18 Å²	18	50 Å²	50	7%	0.071	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.2	-179.8	-172.7	-109.1	0	0	0	110.9	D66 D68 I71 S90 G95 L98 P99	D66-Y93 VanDerWaalsContact OD1-CE2 3.31Å; D66-Y93 WeakPolarHBondContact OD1-CE2 3.16Å; D66-Y93 PolarHBondContact OD2-OH 3.16Å; D68-Y93 HydrophobicContact CB-CE2 4.03Å; I71-Y93 HydrophobicContact CG2-CD1 4.11Å; I71-Y93 HydrophobicContact CG2-CD2 4.26Å; I71-Y93 HydrophobicContact CG2-CG 3.73Å; S90-Y93 PolarHBondContact O-N 3.3Å; Y93-G95 WeakPolarHBondContact CE1-O 2.96Å; Y93-G95 VanDerWaalsContact CZ-CA 3.48Å; Y93-L98 VanDerWaalsContact CZ-C 3.47Å; Y93-L98 PolarHBondContact OH-O 2.77Å; Y93-P99 HydrophobicContact CD2-CG 4.07Å; Y93-P99 HydrophobicContact CE2-CB 4.24Å; Y93-P99 HydrophobicContact CE2-CG 3.68Å; Y93-P99 VanDerWaalsContact OH-CA 3.3Å; Y93-P99 WeakPolarHBondContact OH-CA 3.44Å
94	E	95.8	Very high	91.9	Very high	170 Å²	170	52.8 Å²	52.8	79%	0.794	29%	0.291	S	S	*	.			trans	-112.5	2.7	-178.2	-61.7	-68.3	162.6	0	0	112.3	D68	D68-E94 PolarHBondContact O-N 2.89Å
95	G	92.8	Very high	90.6	Very high	19 Å²	19	53.9 Å²	53.9	20%	0.196	30%	0.303	C	S	.	.	S	Bend	trans	-81.7	-180	-177.6	0	0	0	0	0	112.7	Y93 F97	Y93-G95 WeakPolarHBondContact CE1-O 2.96Å; Y93-G95 VanDerWaalsContact CZ-CA 3.48Å; G95-F97 PolarHBondContact O-N 3.16Å
96	L	88.8	Confident	89.3	Confident	76 Å²	76	60.3 Å²	60.3	40%	0.398	33%	0.333	S	S	.	.	S	Bend	trans	-72	118.2	178.7	-174.5	72.1	0	0	0	110.1	L98 Y101 T102 L103	L96-L98 VanDerWaalsContact C-N 3.35Å; L96-L98 PolarHBondContact O-N 3.23Å; L96-L98 VanDerWaalsContact O-O 3.08Å; L96-Y101 WeakPolarHBondContact O-CB 3.37Å; L96-T102 VanDerWaalsContact CD2-C 3.41Å; L96-L103 HydrophobicContact CD1-CD2 4.16Å; L96-L103 HydrophobicContact CD2-CD2 3.89Å; L96-L103 HydrophobicContact CD2-CG 4.08Å
97	F	90.3	Very high	87.7	Confident	138 Å²	138	62.2 Å²	62.2	61%	0.605	35%	0.347	S	S	*	.	S	Bend	trans	56.4	-77.9	173.6	-174.9	-126	0	0	0	115.7	G95 Y101	G95-F97 PolarHBondContact O-N 3.16Å; F97-Y101 HydrophobicContact CB-CG 4.48Å; F97-Y101 AromaticContact CD1-CD1 3.82Å; F97-Y101 HydrophobicContact CD1-CD1 3.82Å; F97-Y101 HydrophobicContact CD1-CD2 4.04Å; F97-Y101 AromaticContact CD1-CE1 3.67Å; F97-Y101 HydrophobicContact CD1-CE1 3.67Å; F97-Y101 AromaticContact CD1-CE2 3.89Å; F97-Y101 HydrophobicContact CD1-CE2 3.89Å; F97-Y101 HydrophobicContact CD1-CG 4Å; F97-Y101 AromaticContact CD1-CZ 3.7Å; F97-Y101 HydrophobicContact CE1-CE1 4.02Å; F97-Y101 HydrophobicContact CE1-CE2 4.18Å; F97-Y101 AromaticContact CE1-CZ 3.78Å
98	L	93.1	Very high	85.8	Confident	20 Å²	20	67.3 Å²	67.3	11%	0.105	39%	0.389	C	S	.	.	S	Bend	trans	-140	161.6	177.8	-60.9	174	0	0	0	109.9	F15 I71 I88 Y93 L96 G100 Y101	F15-L98 HydrophobicContact CZ-CB 4.48Å; I71-L98 HydrophobicContact CD1-CB 4.45Å; I71-L98 HydrophobicContact CD1-CD2 3.57Å; I88-L98 HydrophobicContact CD1-CD2 4.23Å; I88-L98 HydrophobicContact CG2-CD2 4.29Å; Y93-L98 VanDerWaalsContact CZ-C 3.47Å; Y93-L98 PolarHBondContact OH-O 2.77Å; L96-L98 VanDerWaalsContact C-N 3.35Å; L96-L98 PolarHBondContact O-N 3.23Å; L96-L98 VanDerWaalsContact O-O 3.08Å; L98-G100 PolarHBondContact O-N 3.49Å; L98-Y101 HydrophobicContact CB-CD2 3.85Å; L98-Y101 HydrophobicContact CB-CE2 3.95Å; L98-Y101 HydrophobicContact CD1-CE2 4.33Å; L98-Y101 WeakPolarHBondContact O-CB 3.21Å; L98-Y101 WeakPolarHBondContact O-CD2 3.46Å; L98-Y101 PolarHBondContact O-N 3.42Å; L98-Y101 VanDerWaalsContact O-N 3.11Å
99	P	93.1	Very high	84	Confident	10 Å²	10	71.9 Å²	71.9	7%	0.065	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	129.9	-179.7	-31.2	36.6	0	0	0	114.1	F15 D66 I71 Y93	F15-P99 WeakPolarHBondContact CZ-O 3.43Å; D66-P99 HydrophobicContact CB-CB 4.19Å; D66-P99 WeakPolarHBondContact OD2-CA 3.45Å; I71-P99 HydrophobicContact CD1-CG 4.23Å; I71-P99 HydrophobicContact CG1-CG 4Å; I71-P99 HydrophobicContact CG2-CG 4.34Å; Y93-P99 HydrophobicContact CD2-CG 4.07Å; Y93-P99 HydrophobicContact CE2-CB 4.24Å; Y93-P99 HydrophobicContact CE2-CG 3.68Å; Y93-P99 VanDerWaalsContact OH-CA 3.3Å; Y93-P99 WeakPolarHBondContact OH-CA 3.44Å
100	G	88.7	Confident	82.3	Confident	61 Å²	61	76.1 Å²	76.1	63%	0.629	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-2.6	179.8	0	0	0	0	0	116.3	D66 L98	D66-G100 PolarHBondContact OD2-N 2.92Å; L98-G100 PolarHBondContact O-N 3.49Å
101	Y	88.3	Confident	81	Confident	115 Å²	115	80.4 Å²	80.4	45%	0.451	46%	0.457	S	S	.	.			trans	-76.4	140.6	168.4	-79	-105.5	0	0	0	110.5	L96 F97 L98	L96-Y101 WeakPolarHBondContact O-CB 3.37Å; F97-Y101 HydrophobicContact CB-CG 4.48Å; F97-Y101 AromaticContact CD1-CD1 3.82Å; F97-Y101 HydrophobicContact CD1-CD1 3.82Å; F97-Y101 HydrophobicContact CD1-CD2 4.04Å; F97-Y101 AromaticContact CD1-CE1 3.67Å; F97-Y101 HydrophobicContact CD1-CE1 3.67Å; F97-Y101 AromaticContact CD1-CE2 3.89Å; F97-Y101 HydrophobicContact CD1-CE2 3.89Å; F97-Y101 HydrophobicContact CD1-CG 4Å; F97-Y101 AromaticContact CD1-CZ 3.7Å; F97-Y101 HydrophobicContact CE1-CE1 4.02Å; F97-Y101 HydrophobicContact CE1-CE2 4.18Å; F97-Y101 AromaticContact CE1-CZ 3.78Å; L98-Y101 HydrophobicContact CB-CD2 3.85Å; L98-Y101 HydrophobicContact CB-CE2 3.95Å; L98-Y101 HydrophobicContact CD1-CE2 4.33Å; L98-Y101 WeakPolarHBondContact O-CB 3.21Å; L98-Y101 WeakPolarHBondContact O-CD2 3.46Å; L98-Y101 PolarHBondContact O-N 3.42Å; L98-Y101 VanDerWaalsContact O-N 3.11Å
102	T	81.7	Confident	79.6	Confident	72 Å²	72	81.4 Å²	81.4	44%	0.442	46%	0.456	S	S	.	.			trans	-135.1	157.8	179.7	51.1	0	0	0	0	110	L96	L96-T102 VanDerWaalsContact CD2-C 3.41Å
103	L	78.8	Confident	78	Confident	89 Å²	89	80.2 Å²	80.2	47%	0.466	45%	0.451	S	S	.	.			trans	-66.7	150.6	174.9	-69.4	170.9	0	0	0	110.3	L96 G105 Q106	L96-L103 HydrophobicContact CD1-CD2 4.16Å; L96-L103 HydrophobicContact CD2-CD2 3.89Å; L96-L103 HydrophobicContact CD2-CG 4.08Å; L103-G105 PolarHBondContact O-N 2.92Å; L103-Q106 HydrophobicContact CB-CG 4.24Å; L103-Q106 WeakPolarHBondContact O-CB 3.5Å; L103-Q106 PolarHBondContact O-N 2.84Å
104	P	70.1	Confident	76.6	Confident	64 Å²	64	85.5 Å²	85.5	42%	0.416	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	137.8	169	-25.1	34.1	0	0	0	111.1	Q106 E113 L116	P104-Q106 VanDerWaalsContact C-N 3.29Å; P104-Q106 PolarHBondContact O-N 3.23Å; P104-E113 HydrophobicContact CB-CG 4.5Å; P104-L116 HydrophobicContact CB-CD1 3.96Å; P104-L116 HydrophobicContact CG-CD1 3.7Å
105	G	67	Low	75.3	Confident	27 Å²	27	81.2 Å²	81.2	28%	0.278	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-11.8	-175.9	0	0	0	0	0	116	L103 E113	L103-G105 PolarHBondContact O-N 2.92Å; G105-E113 VanDerWaalsContact CA-OE2 3.23Å; G105-E113 WeakPolarHBondContact CA-OE2 3.46Å
106	Q	68.3	Low	74	Confident	135 Å²	135	84.4 Å²	84.4	63%	0.631	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.5	174.2	-63.9	-176.1	-22.5	0	0	113.3	L103 P104	L103-Q106 HydrophobicContact CB-CG 4.24Å; L103-Q106 WeakPolarHBondContact O-CB 3.5Å; L103-Q106 PolarHBondContact O-N 2.84Å; P104-Q106 VanDerWaalsContact C-N 3.29Å; P104-Q106 PolarHBondContact O-N 3.23Å
107	S	62.6	Low	72.8	Confident	50 Å²	50	85.6 Å²	85.6	35%	0.35	48%	0.48	S	S	.	.	S	Bend	trans	-91.5	157.6	175.6	82.7	0	0	0	0	110.9	N109	S107-N109 PolarHBondContact O-N 3.2Å
108	A	58.3	Low	71.4	Confident	107 Å²	107	85.9 Å²	85.9	88%	0.884	48%	0.483	S	S	*	.	S	Bend	trans	-62.3	-4.3	-174.6	0	0	0	0	0	116.2
109	N	60.8	Low	69.7	Low	114 Å²	114	89.5 Å²	89.5	61%	0.61	50%	0.503	S	S	*	.			trans	-109.2	94.4	176	-86.6	-13	0	0	0	110.2	S107 D111	S107-N109 PolarHBondContact O-N 3.2Å; N109-D111 PolarHBondContact O-N 3.47Å
110	D	61.6	Low	67.6	Low	107 Å²	107	98 Å²	98	57%	0.572	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.2	175.5	-66.8	-25.1	0	0	0	112.7	L112 E113 E114	D110-L112 PolarHBondContact O-N 3.11Å; D110-L112 VanDerWaalsContact O-N 3.07Å; D110-E113 PolarHBondContact O-N 3.39Å; D110-E114 PolarHBondContact O-N 3.37Å
111	D	68.7	Low	65.9	Low	114 Å²	114	98.3 Å²	98.3	61%	0.61	53%	0.534	S	S	*	.	H	α-helix	trans	-54.5	-31.3	-178.2	-60.6	-5.6	0	0	0	113.4	N109 V115	N109-D111 PolarHBondContact O-N 3.47Å; D111-V115 VanDerWaalsContact O-CG2 3.31Å; D111-V115 WeakPolarHBondContact O-CG2 3.25Å; D111-V115 PolarHBondContact O-N 3.25Å
112	L	68.3	Low	64.1	Low	99 Å²	99	98.3 Å²	98.3	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-73.2	-35.6	-179.8	-172.7	66.8	0	0	0	111.8	D110 V115 L116	D110-L112 PolarHBondContact O-N 3.11Å; D110-L112 VanDerWaalsContact O-N 3.07Å; L112-V115 PolarHBondContact O-N 2.97Å; L112-L116 HydrophobicContact CD1-CG 4.47Å; L112-L116 HydrophobicContact CD2-CD1 4.41Å; L112-L116 HydrophobicContact CG-CD1 3.96Å; L112-L116 HydrophobicContact CG-CG 4.32Å; L112-L116 WeakPolarHBondContact O-CB 3.03Å; L112-L116 VanDerWaalsContact O-CG 3.23Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.46Å
113	E	64.6	Low	62.7	Low	80 Å²	80	100.2 Å²	100.2	37%	0.374	56%	0.555	S	S	.	*	H	α-helix	trans	-66.8	-41.3	179.4	-161.6	-169.6	158	0	0	110.5	P104 G105 D110 L116 N117	P104-E113 HydrophobicContact CB-CG 4.5Å; G105-E113 VanDerWaalsContact CA-OE2 3.23Å; G105-E113 WeakPolarHBondContact CA-OE2 3.46Å; D110-E113 PolarHBondContact O-N 3.39Å; E113-L116 PolarHBondContact O-N 3.47Å; E113-N117 VanDerWaalsContact O-CB 3.26Å; E113-N117 WeakPolarHBondContact O-CB 3.4Å; E113-N117 PolarHBondContact O-N 3.37Å; E113-N117 PolarHBondContact O-ND2 3.11Å
114	E	66.9	Low	61.7	Low	128 Å²	128	101.3 Å²	101.3	60%	0.598	56%	0.562	S	S	*	*	H	α-helix	trans	-59.8	-47.6	175.5	-167.2	171.3	-161.4	0	0	111.1	D110 L116 N117 E118	D110-E114 PolarHBondContact O-N 3.37Å; E114-L116 VanDerWaalsContact C-N 3.34Å; E114-L116 PolarHBondContact O-N 2.7Å; E114-N117 PolarHBondContact O-N 2.97Å; E114-E118 WeakPolarHBondContact O-CG 3.36Å; E114-E118 PolarHBondContact O-N 3.36Å
115	V	68.5	Low	61.8	Low	81 Å²	81	102.6 Å²	102.6	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-64	-36.5	177.7	173.4	0	0	0	0	112.8	D111 L112 N119	D111-V115 VanDerWaalsContact O-CG2 3.31Å; D111-V115 WeakPolarHBondContact O-CG2 3.25Å; D111-V115 PolarHBondContact O-N 3.25Å; L112-V115 PolarHBondContact O-N 2.97Å; V115-N119 PolarHBondContact O-ND2 3.3Å
116	L	64.9	Low	62.8	Low	86 Å²	86	105.1 Å²	105.1	45%	0.45	58%	0.576	S	S	.	*	H	α-helix	trans	-72.8	-34.6	176.6	-70.5	174.1	0	0	0	111.8	P104 L112 E113 E114	P104-L116 HydrophobicContact CB-CD1 3.96Å; P104-L116 HydrophobicContact CG-CD1 3.7Å; L112-L116 HydrophobicContact CD1-CG 4.47Å; L112-L116 HydrophobicContact CD2-CD1 4.41Å; L112-L116 HydrophobicContact CG-CD1 3.96Å; L112-L116 HydrophobicContact CG-CG 4.32Å; L112-L116 WeakPolarHBondContact O-CB 3.03Å; L112-L116 VanDerWaalsContact O-CG 3.23Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.46Å; E113-L116 PolarHBondContact O-N 3.47Å; E114-L116 VanDerWaalsContact C-N 3.34Å; E114-L116 PolarHBondContact O-N 2.7Å
117	N	64.1	Low	63.9	Low	101 Å²	101	101.3 Å²	101.3	54%	0.54	56%	0.562	S	S	.	*	H	α-helix	trans	-79.4	-30.8	179.2	-73.8	-22.4	0	0	0	113.4	E113 E114 N119 E120	E113-N117 VanDerWaalsContact O-CB 3.26Å; E113-N117 WeakPolarHBondContact O-CB 3.4Å; E113-N117 PolarHBondContact O-N 3.37Å; E113-N117 PolarHBondContact O-ND2 3.11Å; E114-N117 PolarHBondContact O-N 2.97Å; N117-N119 CarbonylContact O-C 3.57Å; N117-N119 PolarHBondContact O-N 3.27Å; N117-E120 PolarHBondContact O-N 2.98Å
118	E	61	Low	65.4	Low	144 Å²	144	103.7 Å²	103.7	67%	0.673	57%	0.566	S	S	*	*	H	α-helix	trans	-57.8	-30.7	173.4	-82.2	-173.6	170.4	0	0	111.7	E114 E120	E114-E118 WeakPolarHBondContact O-CG 3.36Å; E114-E118 PolarHBondContact O-N 3.36Å; E118-E120 VanDerWaalsContact C-N 3.29Å; E118-E120 PolarHBondContact O-N 3.3Å; E118-E120 VanDerWaalsContact O-N 3.07Å
119	N	56.7	Low	67	Low	96 Å²	96	101.4 Å²	101.4	51%	0.513	54%	0.535	S	S	.	.	S	Bend	trans	-80.8	77.9	167.8	-66.9	-55.4	0	0	0	109.2	V115 N117 S121	V115-N119 PolarHBondContact O-ND2 3.3Å; N117-N119 CarbonylContact O-C 3.57Å; N117-N119 PolarHBondContact O-N 3.27Å; N119-S121 CarbonylContact O-C 3.57Å; N119-S121 PolarHBondContact O-N 2.98Å; N119-S121 PolarHBondContact O-OG 2.74Å
120	E	50.7	Low	68.6	Low	188 Å²	188	97.9 Å²	97.9	88%	0.879	52%	0.517	S	S	*	.			trans	-50.6	-9.4	172.5	-78.1	-164.7	159.5	0	0	114.3	N117 E118 N122	N117-E120 PolarHBondContact O-N 2.98Å; E118-E120 VanDerWaalsContact C-N 3.29Å; E118-E120 PolarHBondContact O-N 3.3Å; E118-E120 VanDerWaalsContact O-N 3.07Å; E120-N122 PolarHBondContact O-N 3.36Å
121	S	53.2	Low	70.2	Confident	68 Å²	68	92.8 Å²	92.8	48%	0.476	49%	0.49	S	S	.	.	S	Bend	trans	-61.2	79.7	159.6	50	0	0	0	0	110.1	N119 P123	N119-S121 CarbonylContact O-C 3.57Å; N119-S121 PolarHBondContact O-N 2.98Å; N119-S121 PolarHBondContact O-OG 2.74Å; S121-P123 WeakPolarHBondContact O-CD 3.46Å
122	N	49.3	Very low	71.5	Confident	114 Å²	114	87.5 Å²	87.5	61%	0.61	46%	0.462	S	S	*	.			trans	-36.8	112.5	166.1	-169.3	3	0	0	0	108.5	E120 N124	E120-N122 PolarHBondContact O-N 3.36Å; N122-N124 PolarHBondContact O-N 3.48Å
123	P	52.8	Low	72.9	Confident	112 Å²	112	83.4 Å²	83.4	73%	0.727	44%	0.44	S	S	*	.			trans	-78.1	58.9	-175.6	33.5	-34.9	0	0	0	108.1	S121 S125	S121-P123 WeakPolarHBondContact O-CD 3.46Å; P123-S125 PolarHBondContact O-N 3.01Å
124	N	56.8	Low	74.4	Confident	112 Å²	112	79.6 Å²	79.6	60%	0.599	42%	0.422	S	S	*	.			trans	-62.7	94.6	161.1	-84	-15.7	0	0	0	105.3	N122 F126	N122-N124 PolarHBondContact O-N 3.48Å; N124-F126 WeakPolarHBondContact O-CD1 3.18Å; N124-F126 VanDerWaalsContact O-CE1 3.32Å; N124-F126 WeakPolarHBondContact O-CE1 3.44Å; N124-F126 PolarHBondContact O-N 2.63Å
125	S	73.4	Confident	75.8	Confident	91 Å²	91	73.5 Å²	73.5	64%	0.636	39%	0.394	S	S	*	.			trans	-52.2	113.7	173.6	173.7	0	0	0	0	107.9	P123 V127	P123-S125 PolarHBondContact O-N 3.01Å; S125-V127 PolarHBondContact O-N 2.65Å; S125-V127 PolarHBondContact OG-N 2.78Å; S125-V127 PolarHBondContact OG-O 3.14Å
126	F	87.6	Confident	77.1	Confident	81 Å²	81	69.7 Å²	69.7	36%	0.355	37%	0.371	S	S	.	.			trans	-70.8	-17.2	172.7	-23.1	-76.8	0	0	0	110.9	N124 K128 I234 A240 T243	N124-F126 WeakPolarHBondContact O-CD1 3.18Å; N124-F126 VanDerWaalsContact O-CE1 3.32Å; N124-F126 WeakPolarHBondContact O-CE1 3.44Å; N124-F126 PolarHBondContact O-N 2.63Å; F126-K128 PolarHBondContact O-N 3.32Å; F126-I234 HydrophobicContact CB-CD1 4.22Å; F126-I234 HydrophobicContact CB-CG2 4.29Å; F126-I234 WeakPolarHBondContact O-CD1 3.33Å; F126-A240 HydrophobicContact CB-CB 3.91Å; F126-A240 HydrophobicContact CD2-CB 4.05Å; F126-A240 HydrophobicContact CG-CB 3.94Å; F126-T243 HydrophobicContact CE1-CG2 4.38Å; F126-T243 HydrophobicContact CE2-CG2 4.02Å; F126-T243 HydrophobicContact CZ-CG2 3.45Å; F126-T243 VanDerWaalsContact CZ-CG2 3.45Å
127	V	92.4	Very high	78.6	Confident	54 Å²	54	65.6 Å²	65.6	33%	0.327	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.9	179.7	-177.1	0	0	0	0	109.3	S125 L232 I234	S125-V127 PolarHBondContact O-N 2.65Å; S125-V127 PolarHBondContact OG-N 2.78Å; S125-V127 PolarHBondContact OG-O 3.14Å; V127-L232 HydrophobicContact CG1-CB 4.12Å; V127-L232 HydrophobicContact CG1-CD2 4.1Å; V127-L232 HydrophobicContact CG2-CB 4.26Å; V127-L232 HydrophobicContact CG2-CD1 3.96Å; V127-I234 HydrophobicContact CB-CD1 4.41Å; V127-I234 HydrophobicContact CG2-CD1 3.96Å
128	K	92.1	Very high	80.1	Confident	101 Å²	101	66 Å²	66	44%	0.439	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-47.1	176.6	-56.6	175.9	71.9	163.4	0	111.7	F126 A233 D235	F126-K128 PolarHBondContact O-N 3.32Å; K128-A233 HydrophobicContact CB-CB 4.43Å; K128-A233 PolarHBondContact N-O 3.14Å; K128-D235 HydrophobicContact CD-CB 4.45Å; K128-D235 VanDerWaalsContact CD-CG 3.48Å; K128-D235 WeakPolarHBondContact CD-OD1 3.35Å; K128-D235 WeakPolarHBondContact CD-OD2 3.4Å; K128-D235 VanDerWaalsContact CE-OD2 3.28Å; K128-D235 WeakPolarHBondContact CE-OD2 3.38Å; K128-D235 IonicContact NZ-OD1 3.24Å; K128-D235 PolarHBondContact NZ-OD1 2.82Å; K128-D235 IonicContact NZ-OD2 2.82Å; K128-D235 PolarHBondContact NZ-OD2 3.01Å
129	Y	92.4	Very high	81.8	Confident	59 Å²	59	63.3 Å²	63.3	23%	0.231	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	169.6	-176.8	51.9	-93.7	0	0	0	109.4	D131 R196 N197 A233	Y129-D131 PolarHBondContact O-N 3.46Å; Y129-R196 WeakPolarHBondContact CE2-O 3.46Å; Y129-R196 PolarHBondContact OH-O 3.21Å; Y129-N197 PolarHBondContact OH-OD1 2.97Å; Y129-A233 HydrophobicContact CD1-CB 4.22Å; Y129-A233 HydrophobicContact CD2-CB 3.66Å; Y129-A233 HydrophobicContact CE1-CB 3.94Å; Y129-A233 HydrophobicContact CE2-CB 3.35Å; Y129-A233 HydrophobicContact CG-CB 4.06Å; Y129-A233 VanDerWaalsContact CZ-CB 3.5Å; Y129-A233 WeakPolarHBondContact O-CB 3.46Å; Y129-A233 PolarHBondContact O-N 3.28Å
130	T	94.9	Very high	83.5	Confident	40 Å²	40	60.5 Å²	60.5	25%	0.245	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	113	169.9	-48	0	0	0	0	109.6	I133 C199 M230 G231	T130-I133 HydrophobicContact CG2-CD1 4.39Å; T130-I133 HydrophobicContact CG2-CG1 3.83Å; T130-C199 WeakPolarHBondContact O-CB 3.2Å; T130-M230 HydrophobicContact CG2-CE 3.45Å; T130-M230 VanDerWaalsContact CG2-CE 3.45Å; T130-M230 HydrophobicContact CG2-CG 3.93Å; T130-M230 WeakPolarHBondContact OG1-CE 3.34Å; T130-G231 CarbonylContact C-O 3.56Å
131	D	95.5	Very high	85.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-48.2	175.6	-178.1	-108.6	0	0	0	110.5	Y129 C199 K200 G231 A233 I318 R320	Y129-D131 PolarHBondContact O-N 3.46Å; D131-C199 WeakPolarHBondContact O-CA 3.43Å; D131-K200 WeakPolarHBondContact O-CD 3.42Å; D131-K200 PolarHBondContact O-N 3.38Å; D131-K200 VanDerWaalsContact O-N 3.14Å; D131-K200 IonicContact OD2-NZ 3.47Å; D131-K200 PolarHBondContact OD2-NZ 2.84Å; D131-G231 PolarHBondContact N-O 3.17Å; D131-A233 HydrophobicContact CB-CB 4.28Å; D131-I318 HydrophobicContact CB-CG2 3.56Å; D131-R320 IonicContact OD1-CZ 3.49Å; D131-R320 IonicContact OD1-NE 3.42Å; D131-R320 PolarHBondContact OD1-NE 3.05Å; D131-R320 IonicContact OD1-NH2 2.64Å; D131-R320 PolarHBondContact OD1-NH2 3.45Å; D131-R320 IonicContact OD2-CZ 3.94Å; D131-R320 IonicContact OD2-NE 3.38Å; D131-R320 PolarHBondContact OD2-NE 2.78Å; D131-R320 IonicContact OD2-NH2 3.37Å
132	H	96.3	Very high	87.7	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	162.5	178.6	64.1	-90.5	0	0	0	112.4	K200 V202 H229 G231 E316 F327	H132-K200 CarbonylContact C-O 3.58Å; H132-K200 WeakPolarHBondContact CA-O 3.06Å; H132-K200 HydrophobicContact CB-CB 4.09Å; H132-K200 HydrophobicContact CB-CD 4.46Å; H132-K200 VanDerWaalsContact CB-O 3.27Å; H132-K200 WeakPolarHBondContact CB-O 3.5Å; H132-V202 HydrophobicContact CB-CG2 4.13Å; H132-H229 AromaticContact CD2-NE2 3.86Å; H132-H229 AromaticContact NE2-CD2 3.58Å; H132-H229 AromaticContact NE2-NE2 3.27Å; H132-H229 PolarHBondContact NE2-NE2 3.39Å; H132-G231 PolarHBondContact N-O 3.46Å; H132-G231 PolarHBondContact O-N 3.32Å; H132-E316 IonicContact CE1-OE1 3.57Å; H132-E316 IonicContact CE1-OE2 3.37Å; H132-E316 PolarHBondContact CE1-OE2 3.05Å; H132-E316 VanDerWaalsContact CE1-OE2 3.32Å; H132-E316 IonicContact NE2-OE2 2.68Å; H132-E316 PolarHBondContact NE2-OE2 2.84Å; H132-F327 HydrophobicContact CB-CE1 3.97Å; H132-F327 HydrophobicContact CB-CZ 4.47Å; H132-F327 AromaticContact CG-CE1 3.74Å; H132-F327 AromaticContact ND1-CE1 3.8Å
133	I	97.1	Very high	89.9	Confident	14 Å²	14	49.1 Å²	49.1	7%	0.072	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.8	174.3	-64.9	-179.5	0	0	0	106.5	I34 T130 I135 K200 F201 V202 L227	I34-I133 HydrophobicContact CD1-CD1 4.42Å; I34-I133 HydrophobicContact CD1-CG2 3.71Å; I34-I133 HydrophobicContact CG2-CD1 3.6Å; T130-I133 HydrophobicContact CG2-CD1 4.39Å; T130-I133 HydrophobicContact CG2-CG1 3.83Å; I133-I135 HydrophobicContact CG2-CG1 4.33Å; I133-K200 PolarHBondContact N-O 3.1Å; I133-F201 HydrophobicContact CD1-CE1 4.31Å; I133-F201 HydrophobicContact CD1-CE2 4.13Å; I133-F201 HydrophobicContact CD1-CZ 3.8Å; I133-F201 HydrophobicContact CG2-CD1 4.44Å; I133-F201 HydrophobicContact CG2-CE1 4.29Å; I133-F201 CarbonylContact O-C 3.58Å; I133-F201 WeakPolarHBondContact O-CA 3.43Å; I133-V202 PolarHBondContact O-N 3.46Å; I133-L227 HydrophobicContact CG2-CD1 3.39Å
134	A	96	Very high	91.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.5	179.3	0	0	0	0	0	111.3	V202 Q228 H229	A134-V202 CarbonylContact C-O 3.43Å; A134-V202 VanDerWaalsContact CA-O 3.29Å; A134-V202 WeakPolarHBondContact CA-O 3.25Å; A134-Q228 PolarHBondContact O-N 3.02Å; A134-H229 WeakPolarHBondContact CB-CE1 3.22Å; A134-H229 VanDerWaalsContact CB-ND1 3.3Å; A134-H229 WeakPolarHBondContact CB-ND1 2.99Å; A134-H229 VanDerWaalsContact CB-NE2 3.31Å; A134-H229 WeakPolarHBondContact CB-NE2 3.25Å; A134-H229 PolarHBondContact N-O 2.79Å; A134-H229 PolarHBondContact O-N 3.5Å
135	I	97.1	Very high	93.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.6	-179.5	-70.2	170.9	0	0	0	108.2	I34 V80 L83 I133 F145 Y149 F201 V202 F203 V204 G226	I34-I135 HydrophobicContact CD1-CD1 4.4Å; V80-I135 HydrophobicContact CB-CG2 4.25Å; V80-I135 HydrophobicContact CG1-CG2 3.41Å; V80-I135 VanDerWaalsContact CG1-CG2 3.41Å; V80-I135 HydrophobicContact CG2-CD1 4.5Å; V80-I135 HydrophobicContact CG2-CG2 3.85Å; L83-I135 HydrophobicContact CD2-CD1 3.86Å; L83-I135 HydrophobicContact CD2-CG1 4.4Å; I133-I135 HydrophobicContact CG2-CG1 4.33Å; I135-F145 HydrophobicContact CG2-CD2 4.19Å; I135-F145 HydrophobicContact CG2-CE2 3.99Å; I135-Y149 HydrophobicContact CD1-CE2 4.35Å; I135-Y149 WeakPolarHBondContact CD1-OH 3.28Å; I135-F201 HydrophobicContact CD1-CD1 3.8Å; I135-F201 HydrophobicContact CD1-CE1 4.22Å; I135-V202 PolarHBondContact N-O 3.03Å; I135-F203 HydrophobicContact CB-CD1 4.01Å; I135-F203 HydrophobicContact CB-CE1 4.45Å; I135-F203 HydrophobicContact CD1-CD1 4.47Å; I135-F203 HydrophobicContact CD1-CE1 4.06Å; I135-F203 HydrophobicContact CG2-CD1 4.23Å; I135-F203 CarbonylContact O-C 3.58Å; I135-F203 WeakPolarHBondContact O-CA 3.44Å; I135-V204 PolarHBondContact O-N 3.46Å; I135-G226 CarbonylContact C-O 3.51Å; I135-G226 WeakPolarHBondContact CA-O 3.23Å
136	A	95.4	Very high	95	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.1	175.9	0	0	0	0	0	110.6	V204 V215 F218 L219 P225 G226 Q228	A136-V204 CarbonylContact C-O 3.53Å; A136-V204 VanDerWaalsContact CA-O 3.27Å; A136-V204 WeakPolarHBondContact CA-O 3.1Å; A136-V215 HydrophobicContact CB-CG1 4.18Å; A136-F218 HydrophobicContact CB-CD1 3.39Å; A136-F218 HydrophobicContact CB-CE1 3.62Å; A136-F218 HydrophobicContact CB-CG 4.28Å; A136-L219 HydrophobicContact CB-CD2 4.37Å; A136-P225 CarbonylContact O-C 3.46Å; A136-P225 WeakPolarHBondContact O-CA 3.37Å; A136-P225 WeakPolarHBondContact O-CB 3.38Å; A136-G226 PolarHBondContact N-O 2.89Å; A136-G226 PolarHBondContact O-N 3.09Å; A136-Q228 HydrophobicContact CB-CB 4.14Å
137	G	96.3	Very high	95.4	Very high	1 Å²	1	39 Å²	39	1%	0.01	21%	0.211	C	C	.	.			trans	-128.6	167.7	174.8	0	0	0	0	0	112.3	D141 V204 P206 L219	G137-D141 WeakPolarHBondContact CA-OD2 3.48Å; G137-V204 PolarHBondContact N-O 2.68Å; G137-P206 WeakPolarHBondContact O-CD 3.29Å; G137-L219 WeakPolarHBondContact O-CD1 3.49Å
138	E	96	Very high	95.7	Very high	110 Å²	110	36.7 Å²	36.7	51%	0.514	20%	0.196	S	C	.	.			trans	-71.1	171.2	169.9	-62.3	-170.6	-174.1	0	0	111.3	G140 D141 E205 L219 P225	E138-G140 PolarHBondContact O-N 3.13Å; E138-G140 VanDerWaalsContact O-N 3.13Å; E138-D141 PolarHBondContact N-OD2 2.68Å; E138-D141 WeakPolarHBondContact O-CB 3.1Å; E138-D141 PolarHBondContact O-N 2.78Å; E138-E205 WeakPolarHBondContact O-CB 3.43Å; E138-L219 HydrophobicContact CG-CD1 4.34Å; E138-P225 HydrophobicContact CG-CG 4.33Å
139	I	95	Very high	95.9	Very high	87 Å²	87	31.9 Å²	31.9	45%	0.446	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	119.6	179.8	-63.2	165.9	0	0	0	109.7	P206 K208	I139-P206 HydrophobicContact CG1-CB 4.16Å; I139-P206 HydrophobicContact CG1-CG 4.28Å; I139-P206 WeakPolarHBondContact CG1-O 3.3Å; I139-K208 HydrophobicContact CG2-CG 3.71Å
140	G	93.3	Very high	96.1	Very high	36 Å²	36	35.2 Å²	35.2	37%	0.371	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-4.3	-179.7	0	0	0	0	0	115.6	E138 S142 E205	E138-G140 PolarHBondContact O-N 3.13Å; E138-G140 VanDerWaalsContact O-N 3.13Å; G140-S142 VanDerWaalsContact C-N 3.33Å; G140-S142 PolarHBondContact O-N 3.11Å; G140-E205 WeakPolarHBondContact CA-OE1 3.48Å; G140-E205 VanDerWaalsContact N-CD 3.26Å; G140-E205 PolarHBondContact N-OE1 3.46Å; G140-E205 PolarHBondContact N-OE2 2.89Å
141	D	96.5	Very high	96.2	Very high	38 Å²	38	35.7 Å²	35.7	20%	0.203	19%	0.194	C	C	.	.	H	α-helix	trans	-68.7	-29.8	-177.6	-83.7	-6.8	0	0	0	113.4	G137 E138 D143 T144 F145 E205 P225	G137-D141 WeakPolarHBondContact CA-OD2 3.48Å; E138-D141 PolarHBondContact N-OD2 2.68Å; E138-D141 WeakPolarHBondContact O-CB 3.1Å; E138-D141 PolarHBondContact O-N 2.78Å; D141-D143 VanDerWaalsContact C-N 3.26Å; D141-D143 PolarHBondContact O-N 2.99Å; D141-T144 WeakPolarHBondContact O-CA 3.49Å; D141-T144 WeakPolarHBondContact O-CB 3.37Å; D141-T144 PolarHBondContact O-N 3.01Å; D141-F145 HydrophobicContact CB-CD1 4.46Å; D141-F145 HydrophobicContact CB-CD2 4.26Å; D141-F145 HydrophobicContact CB-CE1 3.92Å; D141-F145 HydrophobicContact CB-CE2 3.71Å; D141-F145 HydrophobicContact CB-CZ 3.51Å; D141-F145 WeakPolarHBondContact O-CD1 3.13Å; D141-F145 WeakPolarHBondContact O-CG 3.32Å; D141-F145 PolarHBondContact O-N 2.91Å; D141-E205 PolarHBondContact N-OE2 2.9Å; D141-E205 VanDerWaalsContact N-OE2 3.14Å; D141-P225 WeakPolarHBondContact OD2-CG 3.36Å
142	S	95.4	Very high	96.3	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-34.6	-173.3	58.8	0	0	0	0	113.3	G140 F145 V146 M180 K182 E205	G140-S142 VanDerWaalsContact C-N 3.33Å; G140-S142 PolarHBondContact O-N 3.11Å; S142-F145 PolarHBondContact O-N 2.84Å; S142-V146 WeakPolarHBondContact O-CB 3.42Å; S142-V146 WeakPolarHBondContact O-CG2 3.26Å; S142-V146 PolarHBondContact O-N 3.22Å; S142-M180 VanDerWaalsContact OG-CE 3.25Å; S142-M180 WeakPolarHBondContact OG-CE 3.26Å; S142-K182 PolarHBondContact OG-NZ 3.36Å; S142-E205 WeakPolarHBondContact CA-OE2 3.32Å; S142-E205 WeakPolarHBondContact CB-OE2 3.42Å; S142-E205 PolarHBondContact N-OE2 2.79Å; S142-E205 PolarHBondContact OG-OE2 2.71Å
143	D	95.1	Very high	96.3	Very high	91 Å²	91	36.7 Å²	36.7	49%	0.487	20%	0.198	S	C	.	.	H	α-helix	trans	-68.6	-41.2	175.3	-75.8	-40.2	0	0	0	112.2	D141 F145 N147 K182	D141-D143 VanDerWaalsContact C-N 3.26Å; D141-D143 PolarHBondContact O-N 2.99Å; D143-F145 VanDerWaalsContact C-N 3.34Å; D143-N147 VanDerWaalsContact O-CB 3.3Å; D143-N147 WeakPolarHBondContact O-CB 3.28Å; D143-N147 PolarHBondContact O-N 3.31Å; D143-K182 IonicContact OD1-NZ 2.69Å; D143-K182 PolarHBondContact OD1-NZ 3.45Å; D143-K182 IonicContact OD2-NZ 2.77Å; D143-K182 PolarHBondContact OD2-NZ 2.75Å
144	T	96.1	Very high	96.2	Very high	81 Å²	81	37.8 Å²	37.8	50%	0.497	21%	0.213	S	C	.	.	H	α-helix	trans	-62.2	-44.7	175	-58.8	0	0	0	0	110.4	D141 N147 W148	D141-T144 WeakPolarHBondContact O-CA 3.49Å; D141-T144 WeakPolarHBondContact O-CB 3.37Å; D141-T144 PolarHBondContact O-N 3.01Å; T144-N147 PolarHBondContact O-N 3.2Å; T144-W148 WeakPolarHBondContact O-CB 3.03Å; T144-W148 PolarHBondContact O-N 2.78Å
145	F	97.5	Very high	96.2	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-50.7	179.4	-61.4	-11.3	0	0	0	111.4	V80 I135 D141 S142 D143 N147 W148 Y149 F203 P225	V80-F145 HydrophobicContact CB-CE1 4.31Å; V80-F145 HydrophobicContact CB-CZ 4.28Å; V80-F145 HydrophobicContact CG1-CE2 4.32Å; V80-F145 HydrophobicContact CG1-CZ 4.06Å; V80-F145 HydrophobicContact CG2-CD1 3.82Å; V80-F145 HydrophobicContact CG2-CD2 4.15Å; V80-F145 HydrophobicContact CG2-CE1 3.8Å; V80-F145 HydrophobicContact CG2-CE2 4.12Å; V80-F145 HydrophobicContact CG2-CG 4.01Å; V80-F145 HydrophobicContact CG2-CZ 3.95Å; I135-F145 HydrophobicContact CG2-CD2 4.19Å; I135-F145 HydrophobicContact CG2-CE2 3.99Å; D141-F145 HydrophobicContact CB-CD1 4.46Å; D141-F145 HydrophobicContact CB-CD2 4.26Å; D141-F145 HydrophobicContact CB-CE1 3.92Å; D141-F145 HydrophobicContact CB-CE2 3.71Å; D141-F145 HydrophobicContact CB-CZ 3.51Å; D141-F145 WeakPolarHBondContact O-CD1 3.13Å; D141-F145 WeakPolarHBondContact O-CG 3.32Å; D141-F145 PolarHBondContact O-N 2.91Å; S142-F145 PolarHBondContact O-N 2.84Å; D143-F145 VanDerWaalsContact C-N 3.34Å; F145-N147 VanDerWaalsContact C-N 3.28Å; F145-N147 PolarHBondContact O-N 3.35Å; F145-W148 PolarHBondContact O-N 3.12Å; F145-Y149 WeakPolarHBondContact O-CD2 3.27Å; F145-Y149 PolarHBondContact O-N 3.29Å; F145-F203 HydrophobicContact CB-CD1 3.71Å; F145-F203 HydrophobicContact CB-CD2 4.14Å; F145-F203 HydrophobicContact CB-CE1 3.79Å; F145-F203 HydrophobicContact CB-CE2 4.18Å; F145-F203 HydrophobicContact CB-CG 3.89Å; F145-F203 HydrophobicContact CB-CZ 4.03Å; F145-F203 HydrophobicContact CD2-CB 4.26Å; F145-F203 AromaticContact CD2-CD1 3.76Å; F145-F203 HydrophobicContact CD2-CD1 3.76Å; F145-F203 HydrophobicContact CD2-CE1 4.46Å; F145-F203 HydrophobicContact CD2-CG 4.15Å; F145-F203 HydrophobicContact CG-CD1 4.2Å; F145-P225 HydrophobicContact CZ-CB 4.02Å; F145-P225 HydrophobicContact CZ-CG 4.46Å
146	V	96.7	Very high	96.1	Very high	22 Å²	22	42.4 Å²	42.4	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-54.2	-46.8	176.5	169.1	0	0	0	0	110.7	S142 K150 K182 V184 F203	S142-V146 WeakPolarHBondContact O-CB 3.42Å; S142-V146 WeakPolarHBondContact O-CG2 3.26Å; S142-V146 PolarHBondContact O-N 3.22Å; V146-K150 VanDerWaalsContact O-CB 3.23Å; V146-K150 WeakPolarHBondContact O-CB 3.37Å; V146-K150 PolarHBondContact O-N 2.97Å; V146-K182 HydrophobicContact CG2-CB 4.08Å; V146-K182 HydrophobicContact CG2-CD 4.35Å; V146-V184 HydrophobicContact CB-CG1 4.31Å; V146-V184 HydrophobicContact CG1-CG1 4Å; V146-V184 HydrophobicContact CG2-CG1 4Å; V146-F203 HydrophobicContact CB-CE2 4.42Å; V146-F203 HydrophobicContact CG2-CD2 3.58Å; V146-F203 HydrophobicContact CG2-CE2 3.69Å
147	N	96.5	Very high	96	Very high	78 Å²	78	45 Å²	45	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-66.1	-39.7	-178.9	-175.2	58.7	0	0	0	112.8	F51 D143 T144 F145 T151	F51-N147 WeakPolarHBondContact CZ-ND2 3.49Å; D143-N147 VanDerWaalsContact O-CB 3.3Å; D143-N147 WeakPolarHBondContact O-CB 3.28Å; D143-N147 PolarHBondContact O-N 3.31Å; T144-N147 PolarHBondContact O-N 3.2Å; F145-N147 VanDerWaalsContact C-N 3.28Å; F145-N147 PolarHBondContact O-N 3.35Å; N147-T151 WeakPolarHBondContact O-CB 3.48Å; N147-T151 PolarHBondContact O-N 2.88Å; N147-T151 PolarHBondContact O-OG1 2.68Å
148	W	97.6	Very high	95.8	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-48.1	178.3	-173.9	93.7	0	0	0	111.8	V48 F51 S52 C79 H85 T144 F145 K150 T151 V152 F153	V48-W148 HydrophobicContact CG2-CZ2 4.3Å; F51-W148 AromaticContact CD1-CD1 3.7Å; F51-W148 HydrophobicContact CE1-CB 4.48Å; F51-W148 AromaticContact CE1-CD1 3.9Å; S52-W148 PolarHBondContact OG-NE1 2.93Å; S52-W148 VanDerWaalsContact OG-NE1 3.14Å; C79-W148 HydrophobicContact CB-CB 3.87Å; C79-W148 HydrophobicContact CB-CD2 3.85Å; C79-W148 HydrophobicContact CB-CG 3.49Å; C79-W148 VanDerWaalsContact CB-CG 3.49Å; C79-W148 WeakPolarHBondContact SG-CB 3.12Å; H85-W148 AromaticContact CD2-CH2 3.77Å; H85-W148 AromaticContact NE2-CZ3 3.98Å; T144-W148 WeakPolarHBondContact O-CB 3.03Å; T144-W148 PolarHBondContact O-N 2.78Å; F145-W148 PolarHBondContact O-N 3.12Å; W148-K150 VanDerWaalsContact C-N 3.3Å; W148-K150 PolarHBondContact O-N 3.42Å; W148-T151 PolarHBondContact O-N 2.64Å; W148-T151 VanDerWaalsContact O-N 3.09Å; W148-V152 HydrophobicContact CD2-CB 4.42Å; W148-V152 HydrophobicContact CD2-CG2 3.93Å; W148-V152 HydrophobicContact CE3-CB 4.48Å; W148-V152 HydrophobicContact CE3-CG2 4.47Å; W148-V152 HydrophobicContact CG-CG2 4.33Å; W148-V152 HydrophobicContact CH2-CB 4.3Å; W148-V152 HydrophobicContact CH2-CG1 4.05Å; W148-V152 HydrophobicContact CH2-CG2 4.33Å; W148-V152 HydrophobicContact CZ2-CB 4.28Å; W148-V152 HydrophobicContact CZ2-CG1 4.18Å; W148-V152 HydrophobicContact CZ2-CG2 3.81Å; W148-V152 HydrophobicContact CZ3-CB 4.43Å; W148-V152 WeakPolarHBondContact O-CB 3.4Å; W148-V152 WeakPolarHBondContact O-CG2 3.41Å; W148-V152 PolarHBondContact O-N 3.37Å; W148-F153 HydrophobicContact CH2-CD2 4.43Å; W148-F153 AromaticContact CH2-CE2 3.72Å; W148-F153 HydrophobicContact CH2-CE2 3.72Å; W148-F153 AromaticContact CZ3-CD2 3.96Å; W148-F153 HydrophobicContact CZ3-CD2 3.96Å; W148-F153 AromaticContact CZ3-CE2 3.58Å; W148-F153 HydrophobicContact CZ3-CE2 3.58Å
149	Y	97.6	Very high	95.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-35.8	178.1	-84.9	-90.5	0	0	0	112.2	V80 H85 I135 F145 F153 G154 M155 F201 F203	V80-Y149 HydrophobicContact CG2-CE2 4.23Å; H85-Y149 AromaticContact CE1-CE1 3.97Å; H85-Y149 AromaticContact CE1-CZ 3.9Å; H85-Y149 PolarHBondContact CE1-OH 3.3Å; H85-Y149 AromaticContact NE2-CE1 3.83Å; H85-Y149 AromaticContact NE2-CZ 3.57Å; H85-Y149 PolarHBondContact NE2-OH 3.35Å; I135-Y149 HydrophobicContact CD1-CE2 4.35Å; I135-Y149 WeakPolarHBondContact CD1-OH 3.28Å; F145-Y149 WeakPolarHBondContact O-CD2 3.27Å; F145-Y149 PolarHBondContact O-N 3.29Å; Y149-F153 AromaticContact CD1-CD2 3.76Å; Y149-F153 HydrophobicContact CD1-CD2 3.76Å; Y149-F153 HydrophobicContact CD1-CE2 4.31Å; Y149-F153 HydrophobicContact CE1-CD2 4.18Å; Y149-F153 HydrophobicContact CE1-CE2 4.29Å; Y149-F153 WeakPolarHBondContact O-CA 3.49Å; Y149-F153 WeakPolarHBondContact O-CB 3.06Å; Y149-F153 PolarHBondContact O-N 3.37Å; Y149-G154 PolarHBondContact O-N 3.29Å; Y149-M155 HydrophobicContact CD1-CE 4.06Å; Y149-M155 HydrophobicContact CD1-SD 3.65Å; Y149-M155 HydrophobicContact CG-SD 4.31Å; Y149-M155 PolarHBondContact O-N 3.4Å; Y149-F201 HydrophobicContact CD1-CD1 4.27Å; Y149-F201 AromaticContact CE1-CD1 3.52Å; Y149-F201 HydrophobicContact CE1-CD1 3.52Å; Y149-F201 AromaticContact CE1-CE1 3.53Å; Y149-F201 HydrophobicContact CE1-CE1 3.53Å; Y149-F201 HydrophobicContact CE1-CG 4.28Å; Y149-F201 HydrophobicContact CE1-CZ 4.3Å; Y149-F201 AromaticContact CZ-CD1 3.71Å; Y149-F201 AromaticContact CZ-CE1 3.85Å; Y149-F203 AromaticContact CD2-CE1 3.78Å; Y149-F203 HydrophobicContact CD2-CE1 3.78Å; Y149-F203 AromaticContact CD2-CZ 3.44Å; Y149-F203 HydrophobicContact CD2-CZ 3.44Å; Y149-F203 VanDerWaalsContact CD2-CZ 3.44Å; Y149-F203 AromaticContact CE2-CE1 3.66Å; Y149-F203 HydrophobicContact CE2-CE1 3.66Å; Y149-F203 AromaticContact CE2-CZ 3.83Å; Y149-F203 HydrophobicContact CE2-CZ 3.83Å; Y149-F203 AromaticContact CG-CZ 3.95Å; Y149-F203 HydrophobicContact CG-CZ 3.95Å
150	K	96.4	Very high	95	Very high	129 Å²	129	40.8 Å²	40.8	56%	0.561	22%	0.222	S	C	*	.	H	α-helix	trans	-61.9	-46.4	170.3	178.9	177.9	179.3	-179.8	0	112.1	V146 W148 G154 M155	V146-K150 VanDerWaalsContact O-CB 3.23Å; V146-K150 WeakPolarHBondContact O-CB 3.37Å; V146-K150 PolarHBondContact O-N 2.97Å; W148-K150 VanDerWaalsContact C-N 3.3Å; W148-K150 PolarHBondContact O-N 3.42Å; K150-G154 WeakPolarHBondContact O-CA 3.23Å; K150-G154 PolarHBondContact O-N 3.19Å; K150-M155 VanDerWaalsContact CA-O 3.3Å; K150-M155 WeakPolarHBondContact CA-O 3.15Å; K150-M155 WeakPolarHBondContact CB-O 3.27Å; K150-M155 WeakPolarHBondContact CG-O 3.24Å
151	T	96.6	Very high	94.6	Very high	51 Å²	51	40.6 Å²	40.6	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-72.1	-41.3	-175.1	-58.5	0	0	0	0	112.4	F51 N147 W148	F51-T151 HydrophobicContact CB-CG2 4.22Å; F51-T151 HydrophobicContact CD1-CG2 4.39Å; F51-T151 HydrophobicContact CD2-CG2 3.73Å; F51-T151 HydrophobicContact CE2-CG2 4.2Å; F51-T151 HydrophobicContact CG-CG2 3.84Å; N147-T151 WeakPolarHBondContact O-CB 3.48Å; N147-T151 PolarHBondContact O-N 2.88Å; N147-T151 PolarHBondContact O-OG1 2.68Å; W148-T151 PolarHBondContact O-N 2.64Å; W148-T151 VanDerWaalsContact O-N 3.09Å
152	V	97.2	Very high	93.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-83.4	-51.6	-175.2	173.1	0	0	0	0	111.2	V44 R47 V48 W148	V44-V152 HydrophobicContact CG1-CG1 3.81Å; R47-V152 WeakPolarHBondContact CD-O 3.17Å; R47-V152 PolarHBondContact NH1-O 3.14Å; V48-V152 HydrophobicContact CG2-CB 4.46Å; V48-V152 HydrophobicContact CG2-CG1 3.55Å; V48-V152 HydrophobicContact CG2-CG2 4.01Å; W148-V152 HydrophobicContact CD2-CB 4.42Å; W148-V152 HydrophobicContact CD2-CG2 3.93Å; W148-V152 HydrophobicContact CE3-CB 4.48Å; W148-V152 HydrophobicContact CE3-CG2 4.47Å; W148-V152 HydrophobicContact CG-CG2 4.33Å; W148-V152 HydrophobicContact CH2-CB 4.3Å; W148-V152 HydrophobicContact CH2-CG1 4.05Å; W148-V152 HydrophobicContact CH2-CG2 4.33Å; W148-V152 HydrophobicContact CZ2-CB 4.28Å; W148-V152 HydrophobicContact CZ2-CG1 4.18Å; W148-V152 HydrophobicContact CZ2-CG2 3.81Å; W148-V152 HydrophobicContact CZ3-CB 4.43Å; W148-V152 WeakPolarHBondContact O-CB 3.4Å; W148-V152 WeakPolarHBondContact O-CG2 3.41Å; W148-V152 PolarHBondContact O-N 3.37Å
153	F	96.9	Very high	93.2	Very high	22 Å²	22	50.6 Å²	50.6	10%	0.096	26%	0.26	C	S	.	.	H	α-helix	trans	-100.8	-2.9	-173	-68	-69.1	0	0	0	114.1	L36 V38 V44 H85 I87 W148 Y149 M155	L36-F153 HydrophobicContact CD1-CD1 4.26Å; L36-F153 HydrophobicContact CD1-CD2 4.41Å; L36-F153 HydrophobicContact CD1-CE1 3.79Å; L36-F153 HydrophobicContact CD1-CE2 3.93Å; L36-F153 HydrophobicContact CD1-CZ 3.61Å; V38-F153 HydrophobicContact CG1-CD1 4.23Å; V38-F153 HydrophobicContact CG1-CE1 4.14Å; V44-F153 HydrophobicContact CG1-CD1 4.29Å; V44-F153 HydrophobicContact CG1-CE1 3.79Å; V44-F153 HydrophobicContact CG1-CZ 4.31Å; H85-F153 HydrophobicContact CB-CZ 4.1Å; H85-F153 AromaticContact CD2-CE2 3.95Å; I87-F153 HydrophobicContact CG2-CE1 3.7Å; I87-F153 HydrophobicContact CG2-CZ 3.94Å; W148-F153 HydrophobicContact CH2-CD2 4.43Å; W148-F153 AromaticContact CH2-CE2 3.72Å; W148-F153 HydrophobicContact CH2-CE2 3.72Å; W148-F153 AromaticContact CZ3-CD2 3.96Å; W148-F153 HydrophobicContact CZ3-CD2 3.96Å; W148-F153 AromaticContact CZ3-CE2 3.58Å; W148-F153 HydrophobicContact CZ3-CE2 3.58Å; Y149-F153 AromaticContact CD1-CD2 3.76Å; Y149-F153 HydrophobicContact CD1-CD2 3.76Å; Y149-F153 HydrophobicContact CD1-CE2 4.31Å; Y149-F153 HydrophobicContact CE1-CD2 4.18Å; Y149-F153 HydrophobicContact CE1-CE2 4.29Å; Y149-F153 WeakPolarHBondContact O-CA 3.49Å; Y149-F153 WeakPolarHBondContact O-CB 3.06Å; Y149-F153 PolarHBondContact O-N 3.37Å; F153-M155 HydrophobicContact CB-CE 4.04Å; F153-M155 HydrophobicContact CB-CG 3.88Å; F153-M155 HydrophobicContact CB-SD 4.45Å; F153-M155 HydrophobicContact CG-CE 4.35Å; F153-M155 PolarHBondContact O-N 3.21Å
154	G	95.4	Very high	92.9	Very high	37 Å²	37	47 Å²	47	38%	0.381	24%	0.24	S	C	.	.			trans	69.5	16.9	-176.7	0	0	0	0	0	113.4	Y149 K150	Y149-G154 PolarHBondContact O-N 3.29Å; K150-G154 WeakPolarHBondContact O-CA 3.23Å; K150-G154 PolarHBondContact O-N 3.19Å
155	M	96	Very high	92.6	Very high	15 Å²	15	46.5 Å²	46.5	7%	0.074	23%	0.234	C	C	.	.			trans	-67.9	146	-178.3	-66.2	-173.4	-178.8	0	0	111.7	Y149 K150 F153 V184 C185 F201	Y149-M155 HydrophobicContact CD1-CE 4.06Å; Y149-M155 HydrophobicContact CD1-SD 3.65Å; Y149-M155 HydrophobicContact CG-SD 4.31Å; Y149-M155 PolarHBondContact O-N 3.4Å; K150-M155 VanDerWaalsContact CA-O 3.3Å; K150-M155 WeakPolarHBondContact CA-O 3.15Å; K150-M155 WeakPolarHBondContact CB-O 3.27Å; K150-M155 WeakPolarHBondContact CG-O 3.24Å; F153-M155 HydrophobicContact CB-CE 4.04Å; F153-M155 HydrophobicContact CB-CG 3.88Å; F153-M155 HydrophobicContact CB-SD 4.45Å; F153-M155 HydrophobicContact CG-CE 4.35Å; F153-M155 PolarHBondContact O-N 3.21Å; M155-V184 HydrophobicContact CB-CB 4.05Å; M155-V184 HydrophobicContact CB-CG2 4.11Å; M155-V184 HydrophobicContact SD-CG2 3.76Å; M155-C185 CarbonylContact C-O 3.54Å; M155-C185 WeakPolarHBondContact CA-O 3.35Å; M155-C185 VanDerWaalsContact CB-O 3.29Å; M155-C185 WeakPolarHBondContact CB-O 3.47Å; M155-F201 HydrophobicContact CE-CD2 3.99Å; M155-F201 HydrophobicContact CE-CE2 3.89Å; M155-F201 HydrophobicContact CE-CZ 4.44Å; M155-F201 HydrophobicContact SD-CD2 4.2Å; M155-F201 HydrophobicContact SD-CG 4.47Å
156	E	94.5	Very high	92	Very high	82 Å²	82	54 Å²	54	38%	0.383	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.6	179.5	-62.7	-173.9	163.6	0	0	110.8	I158 V184 C185 N188	E156-I158 PolarHBondContact O-N 3.44Å; E156-V184 CarbonylContact O-C 3.58Å; E156-V184 WeakPolarHBondContact O-CA 3.39Å; E156-V184 WeakPolarHBondContact O-CB 3.29Å; E156-C185 PolarHBondContact N-O 3.38Å; E156-C185 PolarHBondContact O-N 2.73Å; E156-N188 WeakPolarHBondContact OE2-CB 3.41Å; E156-N188 PolarHBondContact OE2-N 2.92Å; E156-N188 PolarHBondContact OE2-ND2 2.94Å
157	R	93.5	Very high	91.5	Very high	55 Å²	55	56.9 Å²	56.9	21%	0.208	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	126.3	173.3	176.8	51.1	161.5	118.2	9.1	109.6	E164 A183 N188	R157-E164 IonicContact CZ-OE1 3.82Å; R157-E164 IonicContact NH1-OE1 2.92Å; R157-E164 PolarHBondContact NH1-OE1 2.69Å; R157-E164 IonicContact NH1-OE2 3.94Å; R157-E164 IonicContact NH2-OE1 3.91Å; R157-E164 PolarHBondContact NH2-OE1 2.76Å; R157-A183 WeakPolarHBondContact CD-O 3.3Å; R157-N188 PolarHBondContact O-OD1 3.48Å
158	I	91.9	Very high	90.9	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.5	177.2	59.2	161.1	0	0	0	110.5	E156 A183 C185 P189 Y195 K200	E156-I158 PolarHBondContact O-N 3.44Å; I158-A183 HydrophobicContact CD1-CB 4.19Å; I158-A183 HydrophobicContact CG1-CB 3.86Å; I158-A183 PolarHBondContact N-O 3.29Å; I158-C185 HydrophobicContact CD1-CB 4.03Å; I158-C185 HydrophobicContact CG1-CB 4.4Å; I158-C185 HydrophobicContact CG2-CB 4Å; I158-P189 HydrophobicContact CG2-CG 4.44Å; I158-Y195 HydrophobicContact CD1-CE2 4.08Å; I158-K200 HydrophobicContact CD1-CB 4.2Å; I158-K200 HydrophobicContact CD1-CG 3.5Å; I158-K200 VanDerWaalsContact CD1-CG 3.5Å
159	F	88.8	Confident	90.7	Very high	101 Å²	101	58.8 Å²	58.8	44%	0.443	30%	0.296	S	S	.	.			trans	-86.2	140.9	175	-66.1	-97.8	0	0	0	111	E164 E166 Y195	F159-E164 WeakPolarHBondContact CA-OE2 3.2Å; F159-E164 HydrophobicContact CD1-CB 3.94Å; F159-E164 HydrophobicContact CD1-CG 3.72Å; F159-E164 HydrophobicContact CE1-CG 4.24Å; F159-E166 HydrophobicContact CE1-CB 4.26Å; F159-E166 HydrophobicContact CZ-CB 4.14Å; F159-E166 HydrophobicContact CZ-CG 4.09Å; F159-Y195 PolarHBondContact O-OH 3.04Å
160	I	85.3	Confident	90.4	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	30%	0.299	C	S	.	.	S	Bend	trans	-106.5	-14.6	-179.3	58.2	172.1	0	0	0	113	E164 F170 L181 A183 F327	I160-E164 VanDerWaalsContact CG1-OE2 3.25Å; I160-E164 WeakPolarHBondContact CG1-OE2 3.43Å; I160-E164 PolarHBondContact N-OE2 2.81Å; I160-F170 HydrophobicContact CD1-CB 3.66Å; I160-F170 HydrophobicContact CD1-CD1 3.87Å; I160-F170 HydrophobicContact CD1-CG 4.19Å; I160-F170 HydrophobicContact CG1-CB 3.74Å; I160-F170 HydrophobicContact CG1-CD1 4.19Å; I160-F170 HydrophobicContact CG1-CG 4.23Å; I160-L181 HydrophobicContact CD1-CB 3.33Å; I160-L181 HydrophobicContact CD1-CD2 4.18Å; I160-L181 HydrophobicContact CD1-CG 4.31Å; I160-A183 HydrophobicContact CG2-CB 3.36Å; I160-F327 HydrophobicContact CB-CD2 3.52Å; I160-F327 HydrophobicContact CB-CE2 3.76Å; I160-F327 HydrophobicContact CB-CG 4.48Å; I160-F327 HydrophobicContact CG2-CD2 3.62Å; I160-F327 HydrophobicContact CG2-CE2 3.31Å; I160-F327 HydrophobicContact CG2-CZ 4.13Å
161	N	85.2	Confident	90.2	Very high	33 Å²	33	56.8 Å²	56.8	18%	0.176	29%	0.29	C	S	.	.	S	Bend	trans	-147.3	147.6	176.2	-166.6	-68.4	0	0	0	110.3	Q163 E164 F170 E329	N161-Q163 PolarHBondContact O-N 2.79Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.31Å; N161-Q163 PolarHBondContact OD1-N 2.82Å; N161-E164 HydrophobicContact CB-CB 4.37Å; N161-E164 PolarHBondContact N-OE2 3.27Å; N161-E164 WeakPolarHBondContact O-CB 3.05Å; N161-E164 PolarHBondContact O-N 3.23Å; N161-F170 HydrophobicContact CB-CD1 4.06Å; N161-F170 HydrophobicContact CB-CD2 3.47Å; N161-F170 VanDerWaalsContact CB-CD2 3.47Å; N161-F170 HydrophobicContact CB-CE1 4.14Å; N161-F170 HydrophobicContact CB-CE2 3.58Å; N161-F170 HydrophobicContact CB-CG 3.75Å; N161-F170 HydrophobicContact CB-CZ 3.95Å; N161-F170 WeakPolarHBondContact ND2-CE2 3.48Å; N161-F170 VanDerWaalsContact ND2-CZ 3.27Å; N161-F170 WeakPolarHBondContact ND2-CZ 3.19Å; N161-E329 PolarHBondContact ND2-OE2 3.23Å
162	I	80.1	Confident	89.8	Confident	99 Å²	99	54.6 Å²	54.6	51%	0.508	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.4	176.8	58.1	168.9	0	0	0	113.4	N291	I162-N291 WeakPolarHBondContact CD1-OD1 3.25Å
163	Q	82.6	Confident	89.3	Confident	150 Å²	150	61.7 Å²	61.7	70%	0.701	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	5	179	-52.4	-176.1	17.7	0	0	112.9	N161	N161-Q163 PolarHBondContact O-N 2.79Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.31Å; N161-Q163 PolarHBondContact OD1-N 2.82Å
164	E	87.7	Confident	88.7	Confident	17 Å²	17	62.1 Å²	62.1	8%	0.079	31%	0.309	C	S	.	.			trans	-67.5	133.2	-178	174.7	166.4	-161.5	0	0	112.2	R157 F159 I160 N161 F170	R157-E164 IonicContact CZ-OE1 3.82Å; R157-E164 IonicContact NH1-OE1 2.92Å; R157-E164 PolarHBondContact NH1-OE1 2.69Å; R157-E164 IonicContact NH1-OE2 3.94Å; R157-E164 IonicContact NH2-OE1 3.91Å; R157-E164 PolarHBondContact NH2-OE1 2.76Å; F159-E164 WeakPolarHBondContact CA-OE2 3.2Å; F159-E164 HydrophobicContact CD1-CB 3.94Å; F159-E164 HydrophobicContact CD1-CG 3.72Å; F159-E164 HydrophobicContact CE1-CG 4.24Å; I160-E164 VanDerWaalsContact CG1-OE2 3.25Å; I160-E164 WeakPolarHBondContact CG1-OE2 3.43Å; I160-E164 PolarHBondContact N-OE2 2.81Å; N161-E164 HydrophobicContact CB-CB 4.37Å; N161-E164 PolarHBondContact N-OE2 3.27Å; N161-E164 WeakPolarHBondContact O-CB 3.05Å; N161-E164 PolarHBondContact O-N 3.23Å; E164-F170 HydrophobicContact CB-CB 4.05Å; E164-F170 HydrophobicContact CB-CD2 4.43Å; E164-F170 HydrophobicContact CG-CB 3.94Å
165	D	90.6	Very high	88.3	Confident	70 Å²	70	67.2 Å²	67.2	37%	0.374	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-81.6	133.2	172.7	-178.9	-84.3	0	0	0	109.5	S167 K168 G169	D165-S167 VanDerWaalsContact C-N 3.28Å; D165-S167 PolarHBondContact O-N 3.32Å; D165-S167 WeakPolarHBondContact OD1-CA 3.3Å; D165-S167 WeakPolarHBondContact OD1-CB 3.47Å; D165-S167 PolarHBondContact OD1-N 2.76Å; D165-S167 PolarHBondContact OD1-OG 2.87Å; D165-K168 HydrophobicContact CB-CB 4.11Å; D165-K168 PolarHBondContact OD1-N 3.01Å; D165-G169 PolarHBondContact N-O 3.35Å; D165-G169 WeakPolarHBondContact O-CA 3.38Å; D165-G169 PolarHBondContact O-N 2.7Å
166	E	85.4	Confident	87.9	Confident	161 Å²	161	72.5 Å²	72.5	75%	0.752	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-38.2	-177.2	-175.4	174.4	-174.4	0	0	112.7	F159	F159-E166 HydrophobicContact CE1-CB 4.26Å; F159-E166 HydrophobicContact CZ-CB 4.14Å; F159-E166 HydrophobicContact CZ-CG 4.09Å
167	S	84.9	Confident	87.6	Confident	83 Å²	83	69.5 Å²	69.5	58%	0.58	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-39.7	-175.7	70.7	0	0	0	0	112.9	D165 K182	D165-S167 VanDerWaalsContact C-N 3.28Å; D165-S167 PolarHBondContact O-N 3.32Å; D165-S167 WeakPolarHBondContact OD1-CA 3.3Å; D165-S167 WeakPolarHBondContact OD1-CB 3.47Å; D165-S167 PolarHBondContact OD1-N 2.76Å; D165-S167 PolarHBondContact OD1-OG 2.87Å; S167-K182 PolarHBondContact O-NZ 2.91Å
168	K	85.5	Confident	87.4	Confident	119 Å²	119	67 Å²	67	52%	0.517	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-23.6	-177.1	-60.9	175.8	-175.7	172.2	0	111.7	D165 I171 M180 K182	D165-K168 HydrophobicContact CB-CB 4.11Å; D165-K168 PolarHBondContact OD1-N 3.01Å; K168-I171 HydrophobicContact CB-CD1 4.46Å; K168-M180 WeakPolarHBondContact O-CG 3.35Å; K168-K182 VanDerWaalsContact O-CE 3.27Å; K168-K182 WeakPolarHBondContact O-CE 3.12Å
169	G	92.1	Very high	87.4	Confident	2 Å²	2	67.5 Å²	67.5	2%	0.021	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	76.3	-167	-165.6	0	0	0	0	0	111.8	D165 L181	D165-G169 PolarHBondContact N-O 3.35Å; D165-G169 WeakPolarHBondContact O-CA 3.38Å; D165-G169 PolarHBondContact O-N 2.7Å; G169-L181 WeakPolarHBondContact CA-O 3.23Å
170	F	92.2	Very high	87.6	Confident	18 Å²	18	63.9 Å²	63.9	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123	-173.9	-178.7	-124.8	0	0	0	110.1	I160 N161 E164 V172 M180 L181 E329	I160-F170 HydrophobicContact CD1-CB 3.66Å; I160-F170 HydrophobicContact CD1-CD1 3.87Å; I160-F170 HydrophobicContact CD1-CG 4.19Å; I160-F170 HydrophobicContact CG1-CB 3.74Å; I160-F170 HydrophobicContact CG1-CD1 4.19Å; I160-F170 HydrophobicContact CG1-CG 4.23Å; N161-F170 HydrophobicContact CB-CD1 4.06Å; N161-F170 HydrophobicContact CB-CD2 3.47Å; N161-F170 VanDerWaalsContact CB-CD2 3.47Å; N161-F170 HydrophobicContact CB-CE1 4.14Å; N161-F170 HydrophobicContact CB-CE2 3.58Å; N161-F170 HydrophobicContact CB-CG 3.75Å; N161-F170 HydrophobicContact CB-CZ 3.95Å; N161-F170 WeakPolarHBondContact ND2-CE2 3.48Å; N161-F170 VanDerWaalsContact ND2-CZ 3.27Å; N161-F170 WeakPolarHBondContact ND2-CZ 3.19Å; E164-F170 HydrophobicContact CB-CB 4.05Å; E164-F170 HydrophobicContact CB-CD2 4.43Å; E164-F170 HydrophobicContact CG-CB 3.94Å; F170-V172 HydrophobicContact CD1-CG2 3.76Å; F170-V172 HydrophobicContact CE1-CG2 3.26Å; F170-V172 HydrophobicContact CZ-CG2 3.83Å; F170-M180 CarbonylContact O-C 3.56Å; F170-M180 WeakPolarHBondContact O-CA 3.32Å; F170-L181 HydrophobicContact CD1-CD1 4.24Å; F170-L181 PolarHBondContact N-O 2.87Å; F170-L181 WeakPolarHBondContact O-CD1 3.41Å; F170-L181 PolarHBondContact O-N 2.81Å; F170-E329 HydrophobicContact CE1-CB 4.09Å; F170-E329 HydrophobicContact CZ-CB 3.98Å; F170-E329 WeakPolarHBondContact CZ-OE2 3.41Å
171	I	91	Very high	88.1	Confident	70 Å²	70	64 Å²	64	36%	0.359	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.8	-177.2	-62	174.9	0	0	0	109	K168 K173 M179 M180 T207	K168-I171 HydrophobicContact CB-CD1 4.46Å; I171-K173 HydrophobicContact CG2-CD 4.46Å; I171-K173 HydrophobicContact CG2-CG 3.92Å; I171-M179 WeakPolarHBondContact CA-O 3.42Å; I171-M180 HydrophobicContact CG1-CG 4.32Å; I171-T207 HydrophobicContact CG2-CG2 4.25Å
172	V	88.7	Confident	88.6	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126	172.2	-170.3	0	0	0	0	108.3	F170 G178 M179 L181 I332 W336	F170-V172 HydrophobicContact CD1-CG2 3.76Å; F170-V172 HydrophobicContact CE1-CG2 3.26Å; F170-V172 HydrophobicContact CZ-CG2 3.83Å; V172-G178 CarbonylContact O-C 3.53Å; V172-G178 VanDerWaalsContact O-CA 3.25Å; V172-G178 WeakPolarHBondContact O-CA 3.34Å; V172-M179 HydrophobicContact CB-CE 4.33Å; V172-M179 HydrophobicContact CB-CG 4.32Å; V172-M179 HydrophobicContact CG2-CE 4.44Å; V172-M179 PolarHBondContact N-O 3.17Å; V172-M179 PolarHBondContact O-N 2.96Å; V172-L181 HydrophobicContact CB-CD1 4.38Å; V172-L181 HydrophobicContact CG2-CD1 3.67Å; V172-I332 HydrophobicContact CG1-CG2 4.23Å; V172-W336 HydrophobicContact CB-CH2 3.77Å; V172-W336 HydrophobicContact CB-CZ3 4.39Å; V172-W336 HydrophobicContact CG1-CH2 3.35Å; V172-W336 HydrophobicContact CG1-CZ2 4.39Å; V172-W336 HydrophobicContact CG1-CZ3 3.55Å
173	K	88.1	Confident	89.3	Confident	149 Å²	149	57.9 Å²	57.9	65%	0.648	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	140	179.8	-67	-174.4	177.6	-173.5	0	110.8	I171 T177	I171-K173 HydrophobicContact CG2-CD 4.46Å; I171-K173 HydrophobicContact CG2-CG 3.92Å; K173-T177 WeakPolarHBondContact CA-O 3.34Å
174	F	83.6	Confident	90	Very high	30 Å²	30	50.7 Å²	50.7	13%	0.132	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	118.3	172.1	178.8	-101.3	0	0	0	110.5	N176 T177 N333 W336 E337	F174-N176 PolarHBondContact O-N 3.11Å; F174-N176 VanDerWaalsContact O-N 3.09Å; F174-T177 PolarHBondContact N-O 3.11Å; F174-T177 PolarHBondContact O-N 3.5Å; F174-T177 PolarHBondContact O-OG1 3.21Å; F174-N333 HydrophobicContact CD2-CB 4.21Å; F174-W336 HydrophobicContact CB-CD2 4.37Å; F174-W336 HydrophobicContact CB-CE3 3.2Å; F174-W336 HydrophobicContact CB-CZ3 3.4Å; F174-W336 VanDerWaalsContact CB-CZ3 3.4Å; F174-W336 HydrophobicContact CD1-CB 4.15Å; F174-W336 HydrophobicContact CD1-CE3 4.37Å; F174-W336 HydrophobicContact CD2-CE3 4.49Å; F174-W336 HydrophobicContact CE1-CB 4.38Å; F174-W336 AromaticContact CG-CE3 3.83Å; F174-W336 HydrophobicContact CG-CE3 3.83Å; F174-W336 HydrophobicContact CG-CZ3 4.47Å; F174-E337 HydrophobicContact CE2-CB 4.43Å; F174-E337 HydrophobicContact CZ-CB 3.81Å; F174-E337 HydrophobicContact CZ-CG 4.26Å
175	K	86.6	Confident	90.3	Very high	144 Å²	144	50.1 Å²	50.1	63%	0.626	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	-114.9	-172.1	-56.7	173.7	-173.2	162.9	0	110.3	E340	K175-E340 IonicContact NZ-OE2 2.6Å; K175-E340 PolarHBondContact NZ-OE2 2.84Å
176	N	87.5	Confident	90.4	Very high	126 Å²	126	53.1 Å²	53.1	67%	0.674	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	6.9	-179.5	-57.9	-25	0	0	0	113.1	F174 E211	F174-N176 PolarHBondContact O-N 3.11Å; F174-N176 VanDerWaalsContact O-N 3.09Å; N176-E211 HydrophobicContact CB-CB 4.4Å; N176-E211 HydrophobicContact CB-CG 3.78Å; N176-E211 PolarHBondContact O-N 3.23Å
177	T	87.6	Confident	90.5	Very high	19 Å²	19	50.2 Å²	50.2	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	152.6	175.2	68.3	0	0	0	0	110.7	K173 F174 S210 E211	K173-T177 WeakPolarHBondContact CA-O 3.34Å; F174-T177 PolarHBondContact N-O 3.11Å; F174-T177 PolarHBondContact O-N 3.5Å; F174-T177 PolarHBondContact O-OG1 3.21Å; T177-S210 VanDerWaalsContact CA-OG 3.28Å; T177-S210 WeakPolarHBondContact CA-OG 3.18Å; T177-E211 HydrophobicContact CG2-CB 4.18Å
178	G	90.2	Very high	90.4	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	146.2	173.1	0	0	0	0	0	112.4	V172 T207 S210	V172-G178 CarbonylContact O-C 3.53Å; V172-G178 VanDerWaalsContact O-CA 3.25Å; V172-G178 WeakPolarHBondContact O-CA 3.34Å; G178-T207 WeakPolarHBondContact CA-OG1 3.27Å; G178-T207 PolarHBondContact O-N 2.78Å; G178-T207 PolarHBondContact O-OG1 2.93Å; G178-S210 PolarHBondContact N-OG 2.9Å; G178-S210 PolarHBondContact O-OG 2.84Å
179	M	91.9	Very high	90.4	Very high	15 Å²	15	46 Å²	46	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.3	174.5	68.3	175.7	-179.5	0	0	111.3	I171 V172 L181 V204 E205 V215 I332 W336	I171-M179 WeakPolarHBondContact CA-O 3.42Å; V172-M179 HydrophobicContact CB-CE 4.33Å; V172-M179 HydrophobicContact CB-CG 4.32Å; V172-M179 HydrophobicContact CG2-CE 4.44Å; V172-M179 PolarHBondContact N-O 3.17Å; V172-M179 PolarHBondContact O-N 2.96Å; M179-L181 HydrophobicContact CE-CD1 3.81Å; M179-L181 HydrophobicContact CE-CD2 4.17Å; M179-L181 HydrophobicContact CE-CG 4.37Å; M179-L181 HydrophobicContact CG-CD1 3.85Å; M179-L181 HydrophobicContact SD-CD1 4.21Å; M179-V204 HydrophobicContact CB-CG1 4.11Å; M179-V204 HydrophobicContact CG-CG1 4.26Å; M179-V204 HydrophobicContact SD-CG1 3.46Å; M179-V204 WeakPolarHBondContact SD-CG1 3.47Å; M179-E205 CarbonylContact C-O 3.58Å; M179-E205 VanDerWaalsContact CA-O 3.23Å; M179-E205 WeakPolarHBondContact CA-O 3.42Å; M179-E205 WeakPolarHBondContact CB-O 3.27Å; M179-V215 HydrophobicContact CB-CG2 4.18Å; M179-V215 HydrophobicContact SD-CG2 4.27Å; M179-I332 HydrophobicContact CE-CD1 3.9Å; M179-I332 HydrophobicContact CE-CG2 3.42Å; M179-I332 VanDerWaalsContact CE-CG2 3.42Å; M179-W336 HydrophobicContact CE-CH2 3.89Å; M179-W336 HydrophobicContact CE-CZ2 3.3Å; M179-W336 HydrophobicContact CG-CH2 3.99Å; M179-W336 HydrophobicContact CG-CZ2 3.83Å; M179-W336 HydrophobicContact SD-CH2 4.33Å; M179-W336 HydrophobicContact SD-CZ2 3.6Å
180	M	93.5	Very high	90.2	Very high	24 Å²	24	51.9 Å²	51.9	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.5	177.3	-168.6	171.3	87.8	0	0	108.6	S142 K168 F170 I171 V204 E205 T207	S142-M180 VanDerWaalsContact OG-CE 3.25Å; S142-M180 WeakPolarHBondContact OG-CE 3.26Å; K168-M180 WeakPolarHBondContact O-CG 3.35Å; F170-M180 CarbonylContact O-C 3.56Å; F170-M180 WeakPolarHBondContact O-CA 3.32Å; I171-M180 HydrophobicContact CG1-CG 4.32Å; M180-V204 WeakPolarHBondContact O-CA 3.49Å; M180-E205 HydrophobicContact CB-CG 3.92Å; M180-E205 HydrophobicContact CE-CG 3.87Å; M180-E205 WeakPolarHBondContact CE-OE1 3.38Å; M180-E205 PolarHBondContact N-O 2.83Å; M180-E205 PolarHBondContact O-N 3.29Å; M180-T207 HydrophobicContact CB-CG2 4.49Å
181	L	94.8	Very high	89.9	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.3	-177.8	-61.2	93.9	0	0	0	110.2	I160 G169 F170 V172 M179 V202 F203 V204	I160-L181 HydrophobicContact CD1-CB 3.33Å; I160-L181 HydrophobicContact CD1-CD2 4.18Å; I160-L181 HydrophobicContact CD1-CG 4.31Å; G169-L181 WeakPolarHBondContact CA-O 3.23Å; F170-L181 HydrophobicContact CD1-CD1 4.24Å; F170-L181 PolarHBondContact N-O 2.87Å; F170-L181 WeakPolarHBondContact O-CD1 3.41Å; F170-L181 PolarHBondContact O-N 2.81Å; V172-L181 HydrophobicContact CB-CD1 4.38Å; V172-L181 HydrophobicContact CG2-CD1 3.67Å; M179-L181 HydrophobicContact CE-CD1 3.81Å; M179-L181 HydrophobicContact CE-CD2 4.17Å; M179-L181 HydrophobicContact CE-CG 4.37Å; M179-L181 HydrophobicContact CG-CD1 3.85Å; M179-L181 HydrophobicContact SD-CD1 4.21Å; L181-V202 HydrophobicContact CD2-CG1 3.99Å; L181-F203 VanDerWaalsContact CA-O 3.3Å; L181-F203 WeakPolarHBondContact CA-O 3.49Å; L181-V204 HydrophobicContact CD2-CG2 4.19Å; L181-V204 HydrophobicContact CG-CG2 4.3Å
182	K	95.9	Very high	89.3	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.1	168.2	-62.2	-174.7	175.6	156.4	0	108	S142 D143 V146 S167 K168 V202 F203	S142-K182 PolarHBondContact OG-NZ 3.36Å; D143-K182 IonicContact OD1-NZ 2.69Å; D143-K182 PolarHBondContact OD1-NZ 3.45Å; D143-K182 IonicContact OD2-NZ 2.77Å; D143-K182 PolarHBondContact OD2-NZ 2.75Å; V146-K182 HydrophobicContact CG2-CB 4.08Å; V146-K182 HydrophobicContact CG2-CD 4.35Å; S167-K182 PolarHBondContact O-NZ 2.91Å; K168-K182 VanDerWaalsContact O-CE 3.27Å; K168-K182 WeakPolarHBondContact O-CE 3.12Å; K182-V202 CarbonylContact O-C 3.57Å; K182-F203 PolarHBondContact N-O 3.48Å; K182-F203 PolarHBondContact O-N 3.26Å
183	A	95.3	Very high	89.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.4	178.9	0	0	0	0	0	112.8	R157 I158 I160 F201 V202	R157-A183 WeakPolarHBondContact CD-O 3.3Å; I158-A183 HydrophobicContact CD1-CB 4.19Å; I158-A183 HydrophobicContact CG1-CB 3.86Å; I158-A183 PolarHBondContact N-O 3.29Å; I160-A183 HydrophobicContact CG2-CB 3.36Å; A183-F201 CarbonylContact C-O 3.54Å; A183-F201 WeakPolarHBondContact CA-O 3.38Å; A183-V202 HydrophobicContact CB-CG2 4.21Å
184	V	96.1	Very high	88.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156.7	170.9	-60.7	0	0	0	0	110.2	V146 M155 E156 F201 F203	V146-V184 HydrophobicContact CB-CG1 4.31Å; V146-V184 HydrophobicContact CG1-CG1 4Å; V146-V184 HydrophobicContact CG2-CG1 4Å; M155-V184 HydrophobicContact CB-CB 4.05Å; M155-V184 HydrophobicContact CB-CG2 4.11Å; M155-V184 HydrophobicContact SD-CG2 3.76Å; E156-V184 CarbonylContact O-C 3.58Å; E156-V184 WeakPolarHBondContact O-CA 3.39Å; E156-V184 WeakPolarHBondContact O-CB 3.29Å; V184-F201 HydrophobicContact CG2-CB 3.71Å; V184-F201 PolarHBondContact N-O 2.99Å; V184-F201 PolarHBondContact O-N 3.06Å; V184-F203 HydrophobicContact CB-CE2 4.34Å; V184-F203 HydrophobicContact CG1-CE2 3.87Å; V184-F203 HydrophobicContact CG2-CE2 3.61Å; V184-F203 HydrophobicContact CG2-CZ 3.67Å
185	C	94.9	Very high	89.1	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.027	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	161	175.4	-168.6	0	0	0	0	109.4	M155 E156 I158 R187 A198 C199	M155-C185 CarbonylContact C-O 3.54Å; M155-C185 WeakPolarHBondContact CA-O 3.35Å; M155-C185 VanDerWaalsContact CB-O 3.29Å; M155-C185 WeakPolarHBondContact CB-O 3.47Å; E156-C185 PolarHBondContact N-O 3.38Å; E156-C185 PolarHBondContact O-N 2.73Å; I158-C185 HydrophobicContact CD1-CB 4.03Å; I158-C185 HydrophobicContact CG1-CB 4.4Å; I158-C185 HydrophobicContact CG2-CB 4Å; C185-R187 PolarHBondContact O-N 3.18Å; C185-A198 WeakPolarHBondContact SG-CB 3.33Å; C185-C199 PolarHBondContact SG-O 2.95Å
186	H	92.1	Very high	88.9	Confident	133 Å²	133	44.9 Å²	44.9	62%	0.616	24%	0.242	S	C	*	.	S	Bend	trans	-50.4	-31.4	176.2	159.8	56.4	0	0	0	113
187	R	87.7	Confident	88.7	Confident	100 Å²	100	43.2 Å²	43.2	38%	0.377	23%	0.233	S	C	.	.	S	Bend	trans	-155.3	163.3	173.7	60.1	-178.6	179.2	74.1	1.8	110.7	C185 P189 D194	C185-R187 PolarHBondContact O-N 3.18Å; R187-P189 VanDerWaalsContact O-CD 3.32Å; R187-P189 WeakPolarHBondContact O-CD 3.3Å; R187-D194 IonicContact CZ-OD1 2.63Å; R187-D194 IonicContact CZ-OD2 2.84Å; R187-D194 IonicContact NH1-OD1 2.68Å; R187-D194 PolarHBondContact NH1-OD1 2.95Å; R187-D194 IonicContact NH1-OD2 2.78Å; R187-D194 PolarHBondContact NH1-OD2 3.43Å; R187-D194 IonicContact NH2-OD1 3.17Å; R187-D194 PolarHBondContact NH2-OD1 3Å; R187-D194 IonicContact NH2-OD2 3.21Å; R187-D194 PolarHBondContact NH2-OD2 3.3Å
188	N	84.1	Confident	88.7	Confident	81 Å²	81	43.3 Å²	43.3	43%	0.433	24%	0.235	S	C	.	.			trans	-63.2	125.1	169.1	-85	-49.5	0	0	0	111.1	E156 R157	E156-N188 WeakPolarHBondContact OE2-CB 3.41Å; E156-N188 PolarHBondContact OE2-N 2.92Å; E156-N188 PolarHBondContact OE2-ND2 2.94Å; R157-N188 PolarHBondContact O-OD1 3.48Å
189	P	85	Confident	88.8	Confident	34 Å²	34	45.3 Å²	45.3	22%	0.221	25%	0.249	C	C	.	.			trans	-64.5	136.8	174.4	-25.2	36.7	0	0	0	112	I158 R187 D194 Y195	I158-P189 HydrophobicContact CG2-CG 4.44Å; R187-P189 VanDerWaalsContact O-CD 3.32Å; R187-P189 WeakPolarHBondContact O-CD 3.3Å; P189-D194 WeakPolarHBondContact CA-OD2 3.44Å; P189-D194 HydrophobicContact CB-CB 4.48Å; P189-Y195 HydrophobicContact CB-CD2 3.97Å; P189-Y195 HydrophobicContact CB-CG 4.32Å; P189-Y195 HydrophobicContact CG-CD2 3.67Å; P189-Y195 HydrophobicContact CG-CE2 4.45Å; P189-Y195 HydrophobicContact CG-CG 4.21Å
190	T	87.2	Confident	88.9	Confident	124 Å²	124	44.6 Å²	44.6	76%	0.761	25%	0.245	S	C	*	.	S	Bend	trans	-92.8	-13.3	-177.4	58.7	0	0	0	0	113.4	D194	T190-D194 PolarHBondContact N-OD2 2.9Å; T190-D194 PolarHBondContact OG1-OD2 3.44Å
191	S	86	Confident	89.1	Confident	61 Å²	61	43.7 Å²	43.7	43%	0.427	24%	0.241	S	C	.	.	S	Bend	trans	-156.9	167.7	178.8	69	0	0	0	0	111	S193 D194 Y195	S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.33Å; S191-D194 WeakPolarHBondContact O-CB 3.28Å; S191-D194 PolarHBondContact O-N 3.17Å; S191-D194 VanDerWaalsContact OG-CB 3.29Å; S191-D194 WeakPolarHBondContact OG-CB 3.41Å; S191-D194 PolarHBondContact OG-N 2.91Å; S191-D194 VanDerWaalsContact OG-N 3.15Å; S191-Y195 WeakPolarHBondContact O-CB 3.34Å; S191-Y195 PolarHBondContact O-N 2.87Å
192	S	79.2	Confident	89.2	Confident	46 Å²	46	43.6 Å²	43.6	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-33.4	174.4	-46.2	0	0	0	0	112.6	R196	S192-R196 VanDerWaalsContact O-CG 3.27Å; S192-R196 WeakPolarHBondContact O-CG 3.41Å; S192-R196 PolarHBondContact O-N 3.21Å
193	S	83.4	Confident	89.3	Confident	57 Å²	57	43.4 Å²	43.4	40%	0.399	24%	0.239	S	C	.	.	H	α-helix	trans	-67.2	-42.4	175.2	-171.3	0	0	0	0	111.5	S191 Y195 R196 N197	S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.33Å; S193-Y195 VanDerWaalsContact C-N 3.34Å; S193-R196 PolarHBondContact O-N 3.43Å; S193-N197 PolarHBondContact O-N 2.89Å; S193-N197 PolarHBondContact O-ND2 2.76Å
194	D	85.2	Confident	89.2	Confident	22 Å²	22	43.7 Å²	43.7	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-43.7	176.8	-171.1	22.9	0	0	0	111	R187 P189 T190 S191 R196 N197 A198	R187-D194 IonicContact CZ-OD1 2.63Å; R187-D194 IonicContact CZ-OD2 2.84Å; R187-D194 IonicContact NH1-OD1 2.68Å; R187-D194 PolarHBondContact NH1-OD1 2.95Å; R187-D194 IonicContact NH1-OD2 2.78Å; R187-D194 PolarHBondContact NH1-OD2 3.43Å; R187-D194 IonicContact NH2-OD1 3.17Å; R187-D194 PolarHBondContact NH2-OD1 3Å; R187-D194 IonicContact NH2-OD2 3.21Å; R187-D194 PolarHBondContact NH2-OD2 3.3Å; P189-D194 WeakPolarHBondContact CA-OD2 3.44Å; P189-D194 HydrophobicContact CB-CB 4.48Å; T190-D194 PolarHBondContact N-OD2 2.9Å; T190-D194 PolarHBondContact OG1-OD2 3.44Å; S191-D194 WeakPolarHBondContact O-CB 3.28Å; S191-D194 PolarHBondContact O-N 3.17Å; S191-D194 VanDerWaalsContact OG-CB 3.29Å; S191-D194 WeakPolarHBondContact OG-CB 3.41Å; S191-D194 PolarHBondContact OG-N 2.91Å; S191-D194 VanDerWaalsContact OG-N 3.15Å; D194-R196 VanDerWaalsContact C-N 3.35Å; D194-R196 PolarHBondContact O-N 2.83Å; D194-N197 PolarHBondContact O-N 2.99Å; D194-A198 PolarHBondContact O-N 2.92Å
195	Y	86.4	Confident	89.2	Confident	19 Å²	19	44.1 Å²	44.1	8%	0.075	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-48.4	174.6	-169.7	-75.1	0	0	0	111.3	I158 F159 P189 S191 S193 N197 A198 K200 T325 F327	I158-Y195 HydrophobicContact CD1-CE2 4.08Å; F159-Y195 PolarHBondContact O-OH 3.04Å; P189-Y195 HydrophobicContact CB-CD2 3.97Å; P189-Y195 HydrophobicContact CB-CG 4.32Å; P189-Y195 HydrophobicContact CG-CD2 3.67Å; P189-Y195 HydrophobicContact CG-CE2 4.45Å; P189-Y195 HydrophobicContact CG-CG 4.21Å; S191-Y195 WeakPolarHBondContact O-CB 3.34Å; S191-Y195 PolarHBondContact O-N 2.87Å; S193-Y195 VanDerWaalsContact C-N 3.34Å; Y195-N197 PolarHBondContact O-N 3.05Å; Y195-A198 PolarHBondContact O-N 2.69Å; Y195-K200 VanDerWaalsContact CE1-CE 3.49Å; Y195-K200 WeakPolarHBondContact O-CE 3.44Å; Y195-K200 PolarHBondContact O-NZ 3.26Å; Y195-T325 HydrophobicContact CD1-CG2 3.64Å; Y195-T325 HydrophobicContact CD2-CG2 4.37Å; Y195-T325 HydrophobicContact CE1-CG2 4.29Å; Y195-T325 WeakPolarHBondContact CE1-O 3.26Å; Y195-T325 HydrophobicContact CG-CG2 3.7Å; Y195-T325 VanDerWaalsContact CZ-O 3.3Å; Y195-T325 PolarHBondContact OH-O 3.21Å; Y195-F327 WeakPolarHBondContact OH-CE2 3.38Å
196	R	82.9	Confident	89.2	Confident	64 Å²	64	44.3 Å²	44.3	24%	0.242	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-30.7	-178.6	-71.2	-175.8	-53.5	130.7	6.9	112.8	Y129 S192 S193 D194 R320 S324	Y129-R196 WeakPolarHBondContact CE2-O 3.46Å; Y129-R196 PolarHBondContact OH-O 3.21Å; S192-R196 VanDerWaalsContact O-CG 3.27Å; S192-R196 WeakPolarHBondContact O-CG 3.41Å; S192-R196 PolarHBondContact O-N 3.21Å; S193-R196 PolarHBondContact O-N 3.43Å; D194-R196 VanDerWaalsContact C-N 3.35Å; D194-R196 PolarHBondContact O-N 2.83Å; R196-R320 HydrophobicContact CG-CB 4.41Å; R196-S324 WeakPolarHBondContact CD-O 3.13Å; R196-S324 WeakPolarHBondContact CG-O 3.43Å
197	N	83.9	Confident	89.2	Confident	91 Å²	91	39.4 Å²	39.4	49%	0.487	22%	0.224	S	C	.	.	H	α-helix	trans	-92.1	-3.6	-176	-66.5	-20.9	0	0	0	114.3	Y129 S193 D194 Y195	Y129-N197 PolarHBondContact OH-OD1 2.97Å; S193-N197 PolarHBondContact O-N 2.89Å; S193-N197 PolarHBondContact O-ND2 2.76Å; D194-N197 PolarHBondContact O-N 2.99Å; Y195-N197 PolarHBondContact O-N 3.05Å
198	A	86.9	Confident	89.3	Confident	21 Å²	21	43.1 Å²	43.1	17%	0.174	24%	0.243	C	C	.	.	S	Bend	trans	-98.1	133.8	179.5	0	0	0	0	0	111	C185 D194 Y195 K200	C185-A198 WeakPolarHBondContact SG-CB 3.33Å; D194-A198 PolarHBondContact O-N 2.92Å; Y195-A198 PolarHBondContact O-N 2.69Å; A198-K200 VanDerWaalsContact O-CD 3.23Å; A198-K200 WeakPolarHBondContact O-CD 3.03Å; A198-K200 WeakPolarHBondContact O-CE 3.45Å; A198-K200 PolarHBondContact O-NZ 3.36Å
199	C	91.5	Very high	89.3	Confident	44 Å²	44	46.8 Å²	46.8	30%	0.297	26%	0.262	S	S	.	.			trans	-70.7	132.1	172.6	-179.3	0	0	0	0	110.2	T130 D131 C185	T130-C199 WeakPolarHBondContact O-CB 3.2Å; D131-C199 WeakPolarHBondContact O-CA 3.43Å; C185-C199 PolarHBondContact SG-O 2.95Å
200	K	95.3	Very high	89.4	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138	179.4	-54	86.1	-178	160.9	0	110	D131 H132 I133 I158 Y195 A198 V202 F327	D131-K200 WeakPolarHBondContact O-CD 3.42Å; D131-K200 PolarHBondContact O-N 3.38Å; D131-K200 VanDerWaalsContact O-N 3.14Å; D131-K200 IonicContact OD2-NZ 3.47Å; D131-K200 PolarHBondContact OD2-NZ 2.84Å; H132-K200 CarbonylContact C-O 3.58Å; H132-K200 WeakPolarHBondContact CA-O 3.06Å; H132-K200 HydrophobicContact CB-CB 4.09Å; H132-K200 HydrophobicContact CB-CD 4.46Å; H132-K200 VanDerWaalsContact CB-O 3.27Å; H132-K200 WeakPolarHBondContact CB-O 3.5Å; I133-K200 PolarHBondContact N-O 3.1Å; I158-K200 HydrophobicContact CD1-CB 4.2Å; I158-K200 HydrophobicContact CD1-CG 3.5Å; I158-K200 VanDerWaalsContact CD1-CG 3.5Å; Y195-K200 VanDerWaalsContact CE1-CE 3.49Å; Y195-K200 WeakPolarHBondContact O-CE 3.44Å; Y195-K200 PolarHBondContact O-NZ 3.26Å; A198-K200 VanDerWaalsContact O-CD 3.23Å; A198-K200 WeakPolarHBondContact O-CD 3.03Å; A198-K200 WeakPolarHBondContact O-CE 3.45Å; A198-K200 PolarHBondContact O-NZ 3.36Å; K200-V202 HydrophobicContact CB-CG2 4.35Å; K200-F327 HydrophobicContact CB-CZ 4.2Å; K200-F327 HydrophobicContact CD-CZ 4.18Å; K200-F327 HydrophobicContact CG-CZ 4.18Å
201	F	97.4	Very high	89.4	Confident	5 Å²	5	46 Å²	46	2%	0.022	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.8	165.2	-80.9	-113.3	0	0	0	107.7	I34 L36 I133 I135 Y149 M155 A183 V184 F203	I34-F201 HydrophobicContact CD1-CE1 4.01Å; I34-F201 HydrophobicContact CG2-CE1 4.38Å; I34-F201 HydrophobicContact CG2-CZ 3.95Å; L36-F201 HydrophobicContact CD1-CZ 4.26Å; L36-F201 HydrophobicContact CD2-CE2 4.15Å; L36-F201 HydrophobicContact CD2-CZ 3.9Å; I133-F201 HydrophobicContact CD1-CE1 4.31Å; I133-F201 HydrophobicContact CD1-CE2 4.13Å; I133-F201 HydrophobicContact CD1-CZ 3.8Å; I133-F201 HydrophobicContact CG2-CD1 4.44Å; I133-F201 HydrophobicContact CG2-CE1 4.29Å; I133-F201 CarbonylContact O-C 3.58Å; I133-F201 WeakPolarHBondContact O-CA 3.43Å; I135-F201 HydrophobicContact CD1-CD1 3.8Å; I135-F201 HydrophobicContact CD1-CE1 4.22Å; Y149-F201 HydrophobicContact CD1-CD1 4.27Å; Y149-F201 AromaticContact CE1-CD1 3.52Å; Y149-F201 HydrophobicContact CE1-CD1 3.52Å; Y149-F201 AromaticContact CE1-CE1 3.53Å; Y149-F201 HydrophobicContact CE1-CE1 3.53Å; Y149-F201 HydrophobicContact CE1-CG 4.28Å; Y149-F201 HydrophobicContact CE1-CZ 4.3Å; Y149-F201 AromaticContact CZ-CD1 3.71Å; Y149-F201 AromaticContact CZ-CE1 3.85Å; M155-F201 HydrophobicContact CE-CD2 3.99Å; M155-F201 HydrophobicContact CE-CE2 3.89Å; M155-F201 HydrophobicContact CE-CZ 4.44Å; M155-F201 HydrophobicContact SD-CD2 4.2Å; M155-F201 HydrophobicContact SD-CG 4.47Å; A183-F201 CarbonylContact C-O 3.54Å; A183-F201 WeakPolarHBondContact CA-O 3.38Å; V184-F201 HydrophobicContact CG2-CB 3.71Å; V184-F201 PolarHBondContact N-O 2.99Å; V184-F201 PolarHBondContact O-N 3.06Å; F201-F203 HydrophobicContact CB-CE1 4.33Å; F201-F203 HydrophobicContact CB-CZ 4.12Å
202	V	96.6	Very high	89.2	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.9	-178.2	-175.3	0	0	0	0	108.5	H132 I133 A134 I135 L181 K182 A183 K200 V204 F327	H132-V202 HydrophobicContact CB-CG2 4.13Å; I133-V202 PolarHBondContact O-N 3.46Å; A134-V202 CarbonylContact C-O 3.43Å; A134-V202 VanDerWaalsContact CA-O 3.29Å; A134-V202 WeakPolarHBondContact CA-O 3.25Å; I135-V202 PolarHBondContact N-O 3.03Å; L181-V202 HydrophobicContact CD2-CG1 3.99Å; K182-V202 CarbonylContact O-C 3.57Å; A183-V202 HydrophobicContact CB-CG2 4.21Å; K200-V202 HydrophobicContact CB-CG2 4.35Å; V202-V204 HydrophobicContact CG1-CG2 4.04Å; V202-F327 HydrophobicContact CG2-CD1 4.24Å; V202-F327 HydrophobicContact CG2-CE1 3.42Å; V202-F327 VanDerWaalsContact CG2-CE1 3.42Å; V202-F327 HydrophobicContact CG2-CZ 3.66Å
203	F	97.2	Very high	89.4	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.5	175.4	-49.9	-58.6	0	0	0	109.3	I135 F145 V146 Y149 L181 K182 V184 F201	I135-F203 HydrophobicContact CB-CD1 4.01Å; I135-F203 HydrophobicContact CB-CE1 4.45Å; I135-F203 HydrophobicContact CD1-CD1 4.47Å; I135-F203 HydrophobicContact CD1-CE1 4.06Å; I135-F203 HydrophobicContact CG2-CD1 4.23Å; I135-F203 CarbonylContact O-C 3.58Å; I135-F203 WeakPolarHBondContact O-CA 3.44Å; F145-F203 HydrophobicContact CB-CD1 3.71Å; F145-F203 HydrophobicContact CB-CD2 4.14Å; F145-F203 HydrophobicContact CB-CE1 3.79Å; F145-F203 HydrophobicContact CB-CE2 4.18Å; F145-F203 HydrophobicContact CB-CG 3.89Å; F145-F203 HydrophobicContact CB-CZ 4.03Å; F145-F203 HydrophobicContact CD2-CB 4.26Å; F145-F203 AromaticContact CD2-CD1 3.76Å; F145-F203 HydrophobicContact CD2-CD1 3.76Å; F145-F203 HydrophobicContact CD2-CE1 4.46Å; F145-F203 HydrophobicContact CD2-CG 4.15Å; F145-F203 HydrophobicContact CG-CD1 4.2Å; V146-F203 HydrophobicContact CB-CE2 4.42Å; V146-F203 HydrophobicContact CG2-CD2 3.58Å; V146-F203 HydrophobicContact CG2-CE2 3.69Å; Y149-F203 AromaticContact CD2-CE1 3.78Å; Y149-F203 HydrophobicContact CD2-CE1 3.78Å; Y149-F203 AromaticContact CD2-CZ 3.44Å; Y149-F203 HydrophobicContact CD2-CZ 3.44Å; Y149-F203 VanDerWaalsContact CD2-CZ 3.44Å; Y149-F203 AromaticContact CE2-CE1 3.66Å; Y149-F203 HydrophobicContact CE2-CE1 3.66Å; Y149-F203 AromaticContact CE2-CZ 3.83Å; Y149-F203 HydrophobicContact CE2-CZ 3.83Å; Y149-F203 AromaticContact CG-CZ 3.95Å; Y149-F203 HydrophobicContact CG-CZ 3.95Å; L181-F203 VanDerWaalsContact CA-O 3.3Å; L181-F203 WeakPolarHBondContact CA-O 3.49Å; K182-F203 PolarHBondContact N-O 3.48Å; K182-F203 PolarHBondContact O-N 3.26Å; V184-F203 HydrophobicContact CB-CE2 4.34Å; V184-F203 HydrophobicContact CG1-CE2 3.87Å; V184-F203 HydrophobicContact CG2-CE2 3.61Å; V184-F203 HydrophobicContact CG2-CZ 3.67Å; F201-F203 HydrophobicContact CB-CE1 4.33Å; F201-F203 HydrophobicContact CB-CZ 4.12Å
204	V	95.1	Very high	89.3	Confident	6 Å²	6	46.1 Å²	46.1	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.2	-176.5	-171.3	0	0	0	0	109.3	I135 A136 G137 M179 M180 L181 V202 V215	I135-V204 PolarHBondContact O-N 3.46Å; A136-V204 CarbonylContact C-O 3.53Å; A136-V204 VanDerWaalsContact CA-O 3.27Å; A136-V204 WeakPolarHBondContact CA-O 3.1Å; G137-V204 PolarHBondContact N-O 2.68Å; M179-V204 HydrophobicContact CB-CG1 4.11Å; M179-V204 HydrophobicContact CG-CG1 4.26Å; M179-V204 HydrophobicContact SD-CG1 3.46Å; M179-V204 WeakPolarHBondContact SD-CG1 3.47Å; M180-V204 WeakPolarHBondContact O-CA 3.49Å; L181-V204 HydrophobicContact CD2-CG2 4.19Å; L181-V204 HydrophobicContact CG-CG2 4.3Å; V202-V204 HydrophobicContact CG1-CG2 4.04Å; V204-V215 HydrophobicContact CG1-CG2 3.61Å
205	E	95.1	Very high	89.4	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.7	175.6	63.3	177.5	-120.7	0	0	111.7	E138 G140 D141 S142 M179 M180	E138-E205 WeakPolarHBondContact O-CB 3.43Å; G140-E205 WeakPolarHBondContact CA-OE1 3.48Å; G140-E205 VanDerWaalsContact N-CD 3.26Å; G140-E205 PolarHBondContact N-OE1 3.46Å; G140-E205 PolarHBondContact N-OE2 2.89Å; D141-E205 PolarHBondContact N-OE2 2.9Å; D141-E205 VanDerWaalsContact N-OE2 3.14Å; S142-E205 WeakPolarHBondContact CA-OE2 3.32Å; S142-E205 WeakPolarHBondContact CB-OE2 3.42Å; S142-E205 PolarHBondContact N-OE2 2.79Å; S142-E205 PolarHBondContact OG-OE2 2.71Å; M179-E205 CarbonylContact C-O 3.58Å; M179-E205 VanDerWaalsContact CA-O 3.23Å; M179-E205 WeakPolarHBondContact CA-O 3.42Å; M179-E205 WeakPolarHBondContact CB-O 3.27Å; M180-E205 HydrophobicContact CB-CG 3.92Å; M180-E205 HydrophobicContact CE-CG 3.87Å; M180-E205 WeakPolarHBondContact CE-OE1 3.38Å; M180-E205 PolarHBondContact N-O 2.83Å; M180-E205 PolarHBondContact O-N 3.29Å
206	P	94.2	Very high	89.5	Confident	8 Å²	8	46 Å²	46	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	150.1	173.3	-8.8	23.9	0	0	0	111	G137 I139 V215 L219	G137-P206 WeakPolarHBondContact O-CD 3.29Å; I139-P206 HydrophobicContact CG1-CB 4.16Å; I139-P206 HydrophobicContact CG1-CG 4.28Å; I139-P206 WeakPolarHBondContact CG1-O 3.3Å; P206-V215 HydrophobicContact CG-CB 4.29Å; P206-V215 HydrophobicContact CG-CG1 3.98Å; P206-L219 HydrophobicContact CG-CD1 4.29Å
207	T	92.8	Very high	89.6	Confident	31 Å²	31	49 Å²	49	19%	0.19	26%	0.255	C	S	.	.			trans	-78.6	150.6	166.5	57.3	0	0	0	0	110.9	I171 G178 M180 D209 S210	I171-T207 HydrophobicContact CG2-CG2 4.25Å; G178-T207 WeakPolarHBondContact CA-OG1 3.27Å; G178-T207 PolarHBondContact O-N 2.78Å; G178-T207 PolarHBondContact O-OG1 2.93Å; M180-T207 HydrophobicContact CB-CG2 4.49Å; T207-D209 VanDerWaalsContact C-N 3.27Å; T207-D209 PolarHBondContact O-N 2.89Å; T207-D209 VanDerWaalsContact O-N 3.14Å; T207-S210 WeakPolarHBondContact O-CB 3.09Å; T207-S210 PolarHBondContact O-N 3.36Å; T207-S210 VanDerWaalsContact O-N 3.07Å
208	K	88.9	Confident	89.8	Confident	177 Å²	177	45 Å²	45	77%	0.77	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.9	-171.5	-75.8	-179.4	179.5	-177.8	0	115.4	I139	I139-K208 HydrophobicContact CG2-CG 3.71Å
209	D	85.7	Confident	90	Very high	159 Å²	159	45 Å²	45	85%	0.85	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	20.7	-175.3	-51.6	-51.5	0	0	0	112	T207	T207-D209 VanDerWaalsContact C-N 3.27Å; T207-D209 PolarHBondContact O-N 2.89Å; T207-D209 VanDerWaalsContact O-N 3.14Å
210	S	86.3	Confident	89.8	Confident	25 Å²	25	49.2 Å²	49.2	18%	0.175	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-77.8	134.6	178.9	-175	0	0	0	0	110.9	T177 G178 T207	T177-S210 VanDerWaalsContact CA-OG 3.28Å; T177-S210 WeakPolarHBondContact CA-OG 3.18Å; G178-S210 PolarHBondContact N-OG 2.9Å; G178-S210 PolarHBondContact O-OG 2.84Å; T207-S210 WeakPolarHBondContact O-CB 3.09Å; T207-S210 PolarHBondContact O-N 3.36Å; T207-S210 VanDerWaalsContact O-N 3.07Å
211	E	87	Confident	89.3	Confident	117 Å²	117	51.9 Å²	51.9	55%	0.547	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-58.3	159.2	157.7	-70.2	-62.6	142.9	0	0	110.3	N176 T177 S213	N176-E211 HydrophobicContact CB-CB 4.4Å; N176-E211 HydrophobicContact CB-CG 3.78Å; N176-E211 PolarHBondContact O-N 3.23Å; T177-E211 HydrophobicContact CG2-CB 4.18Å; E211-S213 PolarHBondContact O-N 3.14Å
212	P	83.2	Confident	88.8	Confident	96 Å²	96	53.5 Å²	53.5	62%	0.623	27%	0.272	S	S	*	.	S	Bend	trans	-50.2	116.9	179.6	-28.3	35.4	0	0	0	112.1	T216	P212-T216 HydrophobicContact CB-CG2 4.49Å
213	S	83	Confident	88.3	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.112	31%	0.307	C	S	.	.			trans	-106	178.2	-176.8	72.1	0	0	0	0	111.6	E211 V215 T216 R217	E211-S213 PolarHBondContact O-N 3.14Å; S213-V215 PolarHBondContact O-N 2.93Å; S213-V215 PolarHBondContact OG-N 3.45Å; S213-T216 PolarHBondContact N-OG1 2.86Å; S213-T216 PolarHBondContact O-N 3.48Å; S213-T216 VanDerWaalsContact O-N 3.17Å; S213-T216 PolarHBondContact OG-N 2.8Å; S213-R217 PolarHBondContact O-N 3.46Å
214	Q	79.8	Confident	88	Confident	53 Å²	53	59.2 Å²	59.2	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-55.5	-35.7	171.1	-173.9	-170.8	15.9	0	0	112	R217 F218 L339	Q214-R217 PolarHBondContact O-N 2.9Å; Q214-F218 WeakPolarHBondContact O-CB 3.13Å; Q214-F218 PolarHBondContact O-N 2.79Å; Q214-L339 HydrophobicContact CG-CD1 4.49Å
215	V	88.2	Confident	88	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-65.5	-49.7	176.8	-174.1	0	0	0	0	109.7	A136 M179 V204 P206 S213 R217 F218 L219	A136-V215 HydrophobicContact CB-CG1 4.18Å; M179-V215 HydrophobicContact CB-CG2 4.18Å; M179-V215 HydrophobicContact SD-CG2 4.27Å; V204-V215 HydrophobicContact CG1-CG2 3.61Å; P206-V215 HydrophobicContact CG-CB 4.29Å; P206-V215 HydrophobicContact CG-CG1 3.98Å; S213-V215 PolarHBondContact O-N 2.93Å; S213-V215 PolarHBondContact OG-N 3.45Å; V215-R217 VanDerWaalsContact C-N 3.28Å; V215-R217 PolarHBondContact O-N 3.47Å; V215-F218 WeakPolarHBondContact O-CB 3.42Å; V215-F218 PolarHBondContact O-N 2.87Å; V215-L219 HydrophobicContact CG1-CD1 4.16Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.46Å; V215-L219 PolarHBondContact O-N 2.88Å
216	T	89.3	Confident	87.9	Confident	35 Å²	35	59.8 Å²	59.8	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-58.1	-41.7	176.3	-48.7	0	0	0	0	111.8	P212 S213 L219 Q220	P212-T216 HydrophobicContact CB-CG2 4.49Å; S213-T216 PolarHBondContact N-OG1 2.86Å; S213-T216 PolarHBondContact O-N 3.48Å; S213-T216 VanDerWaalsContact O-N 3.17Å; S213-T216 PolarHBondContact OG-N 2.8Å; T216-L219 PolarHBondContact O-N 3.33Å; T216-Q220 VanDerWaalsContact O-CG 3.3Å; T216-Q220 WeakPolarHBondContact O-CG 3.21Å; T216-Q220 PolarHBondContact O-N 2.81Å
217	R	85.3	Confident	87.9	Confident	127 Å²	127	60.1 Å²	60.1	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-43.2	177.7	-176.8	171.7	177.9	157.8	0.5	112	S213 Q214 V215 L219 Q220 V221	S213-R217 PolarHBondContact O-N 3.46Å; Q214-R217 PolarHBondContact O-N 2.9Å; V215-R217 VanDerWaalsContact C-N 3.28Å; V215-R217 PolarHBondContact O-N 3.47Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-L219 PolarHBondContact O-N 3.03Å; R217-Q220 PolarHBondContact O-N 3.37Å; R217-V221 HydrophobicContact CG-CG2 4.31Å; R217-V221 WeakPolarHBondContact O-CB 3.38Å; R217-V221 VanDerWaalsContact O-CG2 3.25Å; R217-V221 WeakPolarHBondContact O-CG2 3.32Å; R217-V221 PolarHBondContact O-N 3.32Å
218	F	88.2	Confident	88	Confident	9 Å²	9	59 Å²	59	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-56.3	-50.4	172.9	171.3	-88.1	0	0	0	110.1	A136 Q214 V215 Q220 V221 N222 L227 Q228 D311	A136-F218 HydrophobicContact CB-CD1 3.39Å; A136-F218 HydrophobicContact CB-CE1 3.62Å; A136-F218 HydrophobicContact CB-CG 4.28Å; Q214-F218 WeakPolarHBondContact O-CB 3.13Å; Q214-F218 PolarHBondContact O-N 2.79Å; V215-F218 WeakPolarHBondContact O-CB 3.42Å; V215-F218 PolarHBondContact O-N 2.87Å; F218-Q220 VanDerWaalsContact C-N 3.28Å; F218-Q220 PolarHBondContact O-N 2.64Å; F218-V221 PolarHBondContact O-N 3.03Å; F218-V221 VanDerWaalsContact O-N 3.13Å; F218-N222 HydrophobicContact CD1-CB 4.31Å; F218-N222 HydrophobicContact CE1-CB 3.85Å; F218-N222 HydrophobicContact CE2-CB 4.14Å; F218-N222 HydrophobicContact CZ-CB 3.76Å; F218-N222 WeakPolarHBondContact O-CB 3.06Å; F218-N222 PolarHBondContact O-N 3.38Å; F218-L227 WeakPolarHBondContact CE2-O 3.43Å; F218-L227 WeakPolarHBondContact CZ-O 3.4Å; F218-Q228 HydrophobicContact CD2-CB 4.16Å; F218-Q228 HydrophobicContact CD2-CG 3.83Å; F218-Q228 HydrophobicContact CE1-CB 4.47Å; F218-Q228 VanDerWaalsContact CE2-CA 3.5Å; F218-Q228 HydrophobicContact CE2-CB 4.04Å; F218-Q228 HydrophobicContact CE2-CG 4.19Å; F218-Q228 HydrophobicContact CG-CB 4.42Å; F218-Q228 HydrophobicContact CG-CG 4.08Å; F218-Q228 HydrophobicContact CZ-CB 4.21Å; F218-D311 WeakPolarHBondContact CD2-O 3.42Å; F218-D311 WeakPolarHBondContact CE2-O 3.5Å
219	L	90.3	Very high	88.3	Confident	19 Å²	19	51.5 Å²	51.5	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-38.9	179.7	-65.6	167.1	0	0	0	112	A136 G137 E138 P206 V215 T216 R217 S223 G224 P225	A136-L219 HydrophobicContact CB-CD2 4.37Å; G137-L219 WeakPolarHBondContact O-CD1 3.49Å; E138-L219 HydrophobicContact CG-CD1 4.34Å; P206-L219 HydrophobicContact CG-CD1 4.29Å; V215-L219 HydrophobicContact CG1-CD1 4.16Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.46Å; V215-L219 PolarHBondContact O-N 2.88Å; T216-L219 PolarHBondContact O-N 3.33Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-L219 PolarHBondContact O-N 3.03Å; L219-S223 CarbonylContact O-C 3.57Å; L219-S223 WeakPolarHBondContact O-CA 3.43Å; L219-S223 PolarHBondContact O-N 3.37Å; L219-G224 WeakPolarHBondContact CD2-O 3.42Å; L219-G224 PolarHBondContact O-N 2.99Å; L219-P225 HydrophobicContact CD2-CG 4.44Å
220	Q	88.2	Confident	88.8	Confident	133 Å²	133	46.6 Å²	46.6	62%	0.621	25%	0.253	S	S	*	.	H	α-helix	trans	-64.9	-44.5	175.5	-74.6	172	-7.6	0	0	112.4	T216 R217 F218 S223	T216-Q220 VanDerWaalsContact O-CG 3.3Å; T216-Q220 WeakPolarHBondContact O-CG 3.21Å; T216-Q220 PolarHBondContact O-N 2.81Å; R217-Q220 PolarHBondContact O-N 3.37Å; F218-Q220 VanDerWaalsContact C-N 3.28Å; F218-Q220 PolarHBondContact O-N 2.64Å; Q220-S223 PolarHBondContact O-N 2.82Å
221	V	84.3	Confident	89.2	Confident	58 Å²	58	45.4 Å²	45.4	35%	0.352	25%	0.245	S	C	.	.	H	α-helix	trans	-72	-47.9	-175.9	167.5	0	0	0	0	110.3	R217 F218 S223 K310	R217-V221 HydrophobicContact CG-CG2 4.31Å; R217-V221 WeakPolarHBondContact O-CB 3.38Å; R217-V221 VanDerWaalsContact O-CG2 3.25Å; R217-V221 WeakPolarHBondContact O-CG2 3.32Å; R217-V221 PolarHBondContact O-N 3.32Å; F218-V221 PolarHBondContact O-N 3.03Å; F218-V221 VanDerWaalsContact O-N 3.13Å; V221-S223 PolarHBondContact O-N 3.34Å; V221-K310 CarbonylContact C-O 3.54Å; V221-K310 VanDerWaalsContact C-O 3.29Å; V221-K310 VanDerWaalsContact CG1-C 3.46Å; V221-K310 WeakPolarHBondContact CG1-O 3.18Å
222	N	85.3	Confident	89.7	Confident	39 Å²	39	40.8 Å²	40.8	21%	0.209	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-6.2	175.4	-173.2	70	0	0	0	113.8	F218 G224 P225	F218-N222 HydrophobicContact CD1-CB 4.31Å; F218-N222 HydrophobicContact CE1-CB 3.85Å; F218-N222 HydrophobicContact CE2-CB 4.14Å; F218-N222 HydrophobicContact CZ-CB 3.76Å; F218-N222 WeakPolarHBondContact O-CB 3.06Å; F218-N222 PolarHBondContact O-N 3.38Å; N222-G224 PolarHBondContact ND2-O 3Å; N222-G224 PolarHBondContact O-N 2.84Å; N222-P225 PolarHBondContact ND2-O 3.13Å
223	S	87	Confident	90.3	Very high	111 Å²	111	36.5 Å²	36.5	78%	0.776	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	41.8	-176.8	-54.9	0	0	0	0	113.8	L219 Q220 V221	L219-S223 CarbonylContact O-C 3.57Å; L219-S223 WeakPolarHBondContact O-CA 3.43Å; L219-S223 PolarHBondContact O-N 3.37Å; Q220-S223 PolarHBondContact O-N 2.82Å; V221-S223 PolarHBondContact O-N 3.34Å
224	G	91.5	Very high	90.9	Very high	13 Å²	13	36 Å²	36	13%	0.134	19%	0.192	C	C	.	.	S	Bend	trans	129.6	-169.3	177.2	0	0	0	0	0	113.4	L219 N222	L219-G224 WeakPolarHBondContact CD2-O 3.42Å; L219-G224 PolarHBondContact O-N 2.99Å; N222-G224 PolarHBondContact ND2-O 3Å; N222-G224 PolarHBondContact O-N 2.84Å
225	P	94.7	Very high	91.5	Very high	21 Å²	21	38.6 Å²	38.6	14%	0.136	21%	0.208	C	C	.	.	S	Bend	trans	-58	148	176.6	-26.8	36.2	0	0	0	113.7	V80 A136 E138 D141 F145 L219 N222	V80-P225 HydrophobicContact CG1-CB 3.88Å; A136-P225 CarbonylContact O-C 3.46Å; A136-P225 WeakPolarHBondContact O-CA 3.37Å; A136-P225 WeakPolarHBondContact O-CB 3.38Å; E138-P225 HydrophobicContact CG-CG 4.33Å; D141-P225 WeakPolarHBondContact OD2-CG 3.36Å; F145-P225 HydrophobicContact CZ-CB 4.02Å; F145-P225 HydrophobicContact CZ-CG 4.46Å; L219-P225 HydrophobicContact CD2-CG 4.44Å; N222-P225 PolarHBondContact ND2-O 3.13Å
226	G	93.7	Very high	91.8	Very high	5 Å²	5	41.9 Å²	41.9	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-175.9	-178.1	0	0	0	0	0	114.7	I135 A136 Q228	I135-G226 CarbonylContact C-O 3.51Å; I135-G226 WeakPolarHBondContact CA-O 3.23Å; A136-G226 PolarHBondContact N-O 2.89Å; A136-G226 PolarHBondContact O-N 3.09Å; G226-Q228 PolarHBondContact O-N 3.38Å
227	L	94.2	Very high	92.1	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.3	177.7	175	59.2	0	0	0	110.1	P31 I34 L83 I133 F218 F313	P31-L227 HydrophobicContact CB-CD2 3.96Å; P31-L227 HydrophobicContact CG-CD2 4.32Å; I34-L227 HydrophobicContact CD1-CD1 4.44Å; I34-L227 HydrophobicContact CG1-CD2 4.29Å; L83-L227 HydrophobicContact CD1-CB 4.23Å; I133-L227 HydrophobicContact CG2-CD1 3.39Å; F218-L227 WeakPolarHBondContact CE2-O 3.43Å; F218-L227 WeakPolarHBondContact CZ-O 3.4Å; L227-F313 HydrophobicContact CD1-CE2 4.35Å; L227-F313 HydrophobicContact CD2-CD2 4.31Å; L227-F313 HydrophobicContact CD2-CE2 3.86Å; L227-F313 HydrophobicContact CG-CD2 3.94Å; L227-F313 HydrophobicContact CG-CE2 3.76Å
228	Q	93.4	Very high	92.5	Very high	8 Å²	8	36 Å²	36	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-50.5	-177.9	-173.8	-170.9	75	0	0	112.2	A134 A136 F218 G226 F313 F314	A134-Q228 PolarHBondContact O-N 3.02Å; A136-Q228 HydrophobicContact CB-CB 4.14Å; F218-Q228 HydrophobicContact CD2-CB 4.16Å; F218-Q228 HydrophobicContact CD2-CG 3.83Å; F218-Q228 HydrophobicContact CE1-CB 4.47Å; F218-Q228 VanDerWaalsContact CE2-CA 3.5Å; F218-Q228 HydrophobicContact CE2-CB 4.04Å; F218-Q228 HydrophobicContact CE2-CG 4.19Å; F218-Q228 HydrophobicContact CG-CB 4.42Å; F218-Q228 HydrophobicContact CG-CG 4.08Å; F218-Q228 HydrophobicContact CZ-CB 4.21Å; G226-Q228 PolarHBondContact O-N 3.38Å; Q228-F313 WeakPolarHBondContact O-CA 3.48Å; Q228-F313 WeakPolarHBondContact O-CD2 3.41Å; Q228-F314 HydrophobicContact CG-CE1 3.93Å; Q228-F314 HydrophobicContact CG-CZ 4.48Å; Q228-F314 PolarHBondContact O-N 3.26Å
229	H	94.9	Very high	92.7	Very high	20 Å²	20	40 Å²	40	9%	0.093	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	164.8	178.7	64.2	-91.4	0	0	0	112.6	H132 A134 F314 E316	H132-H229 AromaticContact CD2-NE2 3.86Å; H132-H229 AromaticContact NE2-CD2 3.58Å; H132-H229 AromaticContact NE2-NE2 3.27Å; H132-H229 PolarHBondContact NE2-NE2 3.39Å; A134-H229 WeakPolarHBondContact CB-CE1 3.22Å; A134-H229 VanDerWaalsContact CB-ND1 3.3Å; A134-H229 WeakPolarHBondContact CB-ND1 2.99Å; A134-H229 VanDerWaalsContact CB-NE2 3.31Å; A134-H229 WeakPolarHBondContact CB-NE2 3.25Å; A134-H229 PolarHBondContact N-O 2.79Å; A134-H229 PolarHBondContact O-N 3.5Å; H229-F314 WeakPolarHBondContact CA-O 3.37Å; H229-F314 HydrophobicContact CB-CD1 4.16Å; H229-F314 HydrophobicContact CB-CD2 3.59Å; H229-F314 HydrophobicContact CB-CE1 3.98Å; H229-F314 HydrophobicContact CB-CE2 3.36Å; H229-F314 HydrophobicContact CB-CG 3.98Å; H229-F314 HydrophobicContact CB-CZ 3.59Å; H229-F314 WeakPolarHBondContact CB-O 3.18Å; H229-F314 AromaticContact CG-CE2 3.45Å; H229-F314 VanDerWaalsContact CG-CE2 3.45Å; H229-F314 AromaticContact CG-CZ 3.53Å; H229-F314 AromaticContact ND1-CE2 3.67Å; H229-F314 AromaticContact ND1-CZ 3.27Å; H229-F314 VanDerWaalsContact ND1-CZ 3.27Å; H229-F314 WeakPolarHBondContact ND1-CZ 3.47Å; H229-E316 IonicContact CD2-OE2 3.25Å; H229-E316 IonicContact NE2-OE2 3.21Å
230	M	96.3	Very high	92.9	Very high	56 Å²	56	39.1 Å²	39.1	28%	0.276	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.7	174.2	-175.4	-178.7	-176.3	0	0	109.3	T130 L232 F313 F314 E316	T130-M230 HydrophobicContact CG2-CE 3.45Å; T130-M230 VanDerWaalsContact CG2-CE 3.45Å; T130-M230 HydrophobicContact CG2-CG 3.93Å; T130-M230 WeakPolarHBondContact OG1-CE 3.34Å; M230-L232 HydrophobicContact CE-CD2 3.71Å; M230-L232 HydrophobicContact CG-CD2 4.01Å; M230-L232 HydrophobicContact SD-CD2 3.99Å; M230-F313 HydrophobicContact CB-CE2 4.31Å; M230-F313 HydrophobicContact CB-CZ 4.03Å; M230-F314 PolarHBondContact N-O 3.13Å; M230-E316 PolarHBondContact O-N 3.3Å
231	G	96.1	Very high	93.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.2	173.7	0	0	0	0	0	111.3	T130 D131 H132 E316	T130-G231 CarbonylContact C-O 3.56Å; D131-G231 PolarHBondContact N-O 3.17Å; H132-G231 PolarHBondContact N-O 3.46Å; H132-G231 PolarHBondContact O-N 3.32Å; G231-E316 CarbonylContact C-O 3.29Å; G231-E316 WeakPolarHBondContact CA-O 3.27Å
232	L	97	Very high	93.6	Very high	20 Å²	20	31.7 Å²	31.7	11%	0.105	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.7	-178.1	-58.5	-180	0	0	0	110.1	V127 M230 I234 M315 E316 L317 I318	V127-L232 HydrophobicContact CG1-CB 4.12Å; V127-L232 HydrophobicContact CG1-CD2 4.1Å; V127-L232 HydrophobicContact CG2-CB 4.26Å; V127-L232 HydrophobicContact CG2-CD1 3.96Å; M230-L232 HydrophobicContact CE-CD2 3.71Å; M230-L232 HydrophobicContact CG-CD2 4.01Å; M230-L232 HydrophobicContact SD-CD2 3.99Å; L232-I234 HydrophobicContact CB-CD1 4.5Å; L232-I234 WeakPolarHBondContact O-CG1 3.39Å; L232-I234 PolarHBondContact O-N 3.47Å; L232-M315 HydrophobicContact CD1-SD 3.99Å; L232-E316 PolarHBondContact N-O 2.96Å; L232-L317 HydrophobicContact CB-CD2 4.17Å; L232-L317 HydrophobicContact CD1-CD2 4.13Å; L232-I318 WeakPolarHBondContact O-CG2 3.37Å; L232-I318 PolarHBondContact O-N 3.3Å
233	A	95.7	Very high	93.9	Very high	5 Å²	5	31.7 Å²	31.7	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.9	-179.7	0	0	0	0	0	111.4	K128 Y129 D131 I318	K128-A233 HydrophobicContact CB-CB 4.43Å; K128-A233 PolarHBondContact N-O 3.14Å; Y129-A233 HydrophobicContact CD1-CB 4.22Å; Y129-A233 HydrophobicContact CD2-CB 3.66Å; Y129-A233 HydrophobicContact CE1-CB 3.94Å; Y129-A233 HydrophobicContact CE2-CB 3.35Å; Y129-A233 HydrophobicContact CG-CB 4.06Å; Y129-A233 VanDerWaalsContact CZ-CB 3.5Å; Y129-A233 WeakPolarHBondContact O-CB 3.46Å; Y129-A233 PolarHBondContact O-N 3.28Å; D131-A233 HydrophobicContact CB-CB 4.28Å; A233-I318 CarbonylContact C-O 3.54Å; A233-I318 WeakPolarHBondContact CA-O 3.33Å
234	I	95.7	Very high	94.2	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.9	-176.8	-50.9	-57.7	0	0	0	110	F126 V127 L232 A240 L317 I318 E319	F126-I234 HydrophobicContact CB-CD1 4.22Å; F126-I234 HydrophobicContact CB-CG2 4.29Å; F126-I234 WeakPolarHBondContact O-CD1 3.33Å; V127-I234 HydrophobicContact CB-CD1 4.41Å; V127-I234 HydrophobicContact CG2-CD1 3.96Å; L232-I234 HydrophobicContact CB-CD1 4.5Å; L232-I234 WeakPolarHBondContact O-CG1 3.39Å; L232-I234 PolarHBondContact O-N 3.47Å; I234-A240 HydrophobicContact CG2-CB 3.71Å; I234-L317 HydrophobicContact CD1-CD2 4.39Å; I234-L317 HydrophobicContact CG1-CB 4.01Å; I234-L317 HydrophobicContact CG1-CD2 4.37Å; I234-I318 PolarHBondContact N-O 3.29Å; I234-E319 WeakPolarHBondContact O-CA 3.36Å; I234-E319 VanDerWaalsContact O-CB 3.27Å; I234-E319 WeakPolarHBondContact O-CB 3.2Å; I234-E319 WeakPolarHBondContact O-CG 3.35Å
235	D	92.7	Very high	94.2	Very high	108 Å²	108	30.9 Å²	30.9	58%	0.578	17%	0.167	S	C	*	.	S	Bend	trans	-89.6	-27.9	174.2	-80.4	-28.4	0	0	0	113.9	K128	K128-D235 HydrophobicContact CD-CB 4.45Å; K128-D235 VanDerWaalsContact CD-CG 3.48Å; K128-D235 WeakPolarHBondContact CD-OD1 3.35Å; K128-D235 WeakPolarHBondContact CD-OD2 3.4Å; K128-D235 VanDerWaalsContact CE-OD2 3.28Å; K128-D235 WeakPolarHBondContact CE-OD2 3.38Å; K128-D235 IonicContact NZ-OD1 3.24Å; K128-D235 PolarHBondContact NZ-OD1 2.82Å; K128-D235 IonicContact NZ-OD2 2.82Å; K128-D235 PolarHBondContact NZ-OD2 3.01Å
236	N	93.2	Very high	94	Very high	71 Å²	71	37.4 Å²	37.4	38%	0.38	20%	0.196	S	C	.	.			trans	-135.2	87	175.7	-176.1	-15.8	0	0	0	110.4	I238 D239 A240 E319	N236-I238 VanDerWaalsContact C-N 3.26Å; N236-I238 PolarHBondContact O-N 3.45Å; N236-I238 PolarHBondContact OD1-N 3.48Å; N236-D239 VanDerWaalsContact ND2-CG 3.31Å; N236-D239 PolarHBondContact ND2-OD2 3.3Å; N236-D239 PolarHBondContact O-N 2.7Å; N236-D239 PolarHBondContact OD1-N 2.89Å; N236-D239 VanDerWaalsContact OD1-N 3.1Å; N236-A240 WeakPolarHBondContact O-CB 3.33Å; N236-A240 PolarHBondContact O-N 3.15Å; N236-E319 WeakPolarHBondContact CA-OE2 3Å
237	I	95.4	Very high	93.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-25.1	-176.1	-163.8	174.2	0	0	0	112.7	A241 I283 L300 I302 L317 E319	I237-A241 WeakPolarHBondContact O-CB 3.18Å; I237-A241 PolarHBondContact O-N 3.22Å; I237-I283 HydrophobicContact CD1-CG2 4.43Å; I237-I283 HydrophobicContact CG2-CD1 3.9Å; I237-I283 HydrophobicContact CG2-CG2 4.28Å; I237-L300 HydrophobicContact CD1-CB 4.21Å; I237-L300 WeakPolarHBondContact CD1-O 3.24Å; I237-L300 HydrophobicContact CG2-CB 3.96Å; I237-L300 HydrophobicContact CG2-CD2 3.8Å; I237-I302 HydrophobicContact CD1-CG2 4.03Å; I237-I302 HydrophobicContact CG1-CG2 4.07Å; I237-L317 HydrophobicContact CD1-CB 4.28Å; I237-L317 VanDerWaalsContact CD1-O 3.28Å; I237-L317 WeakPolarHBondContact CD1-O 3.48Å; I237-L317 HydrophobicContact CG1-CB 4.14Å; I237-E319 HydrophobicContact CB-CB 3.92Å; I237-E319 WeakPolarHBondContact CB-OE2 3.31Å; I237-E319 HydrophobicContact CD1-CB 4.48Å; I237-E319 HydrophobicContact CG2-CB 4.07Å; I237-E319 WeakPolarHBondContact CG2-OE2 3.34Å; I237-E319 PolarHBondContact N-OE2 2.95Å
238	I	94.2	Very high	93.7	Very high	39 Å²	39	44.3 Å²	44.3	20%	0.2	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-52.6	176.7	-66.6	174.4	0	0	0	109.9	N236 A241 A242 K277 I283	N236-I238 VanDerWaalsContact C-N 3.26Å; N236-I238 PolarHBondContact O-N 3.45Å; N236-I238 PolarHBondContact OD1-N 3.48Å; I238-A241 PolarHBondContact O-N 3.15Å; I238-A242 WeakPolarHBondContact O-CB 3.39Å; I238-A242 PolarHBondContact O-N 3.31Å; I238-K277 HydrophobicContact CD1-CB 4.28Å; I238-K277 HydrophobicContact CD1-CD 4.38Å; I238-I283 HydrophobicContact CB-CD1 4.34Å; I238-I283 HydrophobicContact CG1-CD1 3.66Å
239	D	92.9	Very high	93.7	Very high	93 Å²	93	46.8 Å²	46.8	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-68.4	-41.8	-179.3	-68.7	-12.7	0	0	0	110.5	N236 A241 A242 T243	N236-D239 VanDerWaalsContact ND2-CG 3.31Å; N236-D239 PolarHBondContact ND2-OD2 3.3Å; N236-D239 PolarHBondContact O-N 2.7Å; N236-D239 PolarHBondContact OD1-N 2.89Å; N236-D239 VanDerWaalsContact OD1-N 3.1Å; D239-A241 PolarHBondContact O-N 3.39Å; D239-A242 PolarHBondContact O-N 3.33Å; D239-T243 PolarHBondContact O-N 3.02Å; D239-T243 PolarHBondContact O-OG1 3.43Å
240	A	94.5	Very high	93.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-46.9	175.9	0	0	0	0	0	112.1	F126 I234 N236 A242 T243 C244 L317	F126-A240 HydrophobicContact CB-CB 3.91Å; F126-A240 HydrophobicContact CD2-CB 4.05Å; F126-A240 HydrophobicContact CG-CB 3.94Å; I234-A240 HydrophobicContact CG2-CB 3.71Å; N236-A240 WeakPolarHBondContact O-CB 3.33Å; N236-A240 PolarHBondContact O-N 3.15Å; A240-A242 VanDerWaalsContact C-N 3.33Å; A240-A242 PolarHBondContact O-N 2.85Å; A240-T243 PolarHBondContact O-N 3.37Å; A240-C244 WeakPolarHBondContact O-CB 3.38Å; A240-C244 PolarHBondContact O-N 3.03Å; A240-C244 PolarHBondContact O-SG 3.43Å; A240-L317 HydrophobicContact CB-CD1 4.39Å
241	A	94.2	Very high	93.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-37.8	177.5	0	0	0	0	0	112.1	I237 I238 D239 R245 I302	I237-A241 WeakPolarHBondContact O-CB 3.18Å; I237-A241 PolarHBondContact O-N 3.22Å; I238-A241 PolarHBondContact O-N 3.15Å; D239-A241 PolarHBondContact O-N 3.39Å; A241-R245 WeakPolarHBondContact O-CG 3.48Å; A241-R245 PolarHBondContact O-N 3.2Å; A241-I302 HydrophobicContact CB-CD1 4.02Å; A241-I302 HydrophobicContact CB-CG2 4.41Å
242	A	93.2	Very high	93.2	Very high	35 Å²	35	51.4 Å²	51.4	29%	0.289	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-46.4	174.9	0	0	0	0	0	111.5	I238 D239 A240 R245 Q246	I238-A242 WeakPolarHBondContact O-CB 3.39Å; I238-A242 PolarHBondContact O-N 3.31Å; D239-A242 PolarHBondContact O-N 3.33Å; A240-A242 VanDerWaalsContact C-N 3.33Å; A240-A242 PolarHBondContact O-N 2.85Å; A242-R245 PolarHBondContact O-N 3.47Å; A242-Q246 WeakPolarHBondContact O-CG 3.33Å; A242-Q246 PolarHBondContact O-N 3.25Å
243	T	91.9	Very high	92.7	Very high	38 Å²	38	55.1 Å²	55.1	23%	0.233	30%	0.301	C	S	.	.	H	α-helix	trans	-66.1	-41.1	177.4	-56.6	0	0	0	0	112.1	F126 D239 A240 R245 Q246 N247	F126-T243 HydrophobicContact CE1-CG2 4.38Å; F126-T243 HydrophobicContact CE2-CG2 4.02Å; F126-T243 HydrophobicContact CZ-CG2 3.45Å; F126-T243 VanDerWaalsContact CZ-CG2 3.45Å; D239-T243 PolarHBondContact O-N 3.02Å; D239-T243 PolarHBondContact O-OG1 3.43Å; A240-T243 PolarHBondContact O-N 3.37Å; T243-R245 VanDerWaalsContact C-N 3.34Å; T243-R245 PolarHBondContact O-N 3.24Å; T243-Q246 PolarHBondContact O-N 2.92Å; T243-N247 WeakPolarHBondContact CG2-ND2 3.34Å; T243-N247 PolarHBondContact O-N 2.93Å; T243-N247 PolarHBondContact O-ND2 3.22Å
244	C	92.5	Very high	92.3	Very high	25 Å²	25	55.1 Å²	55.1	17%	0.169	30%	0.301	C	S	.	.	H	α-helix	trans	-58.4	-44.7	173.9	-73.4	0	0	0	0	111.6	A240 N247 G248 I249 F251	A240-C244 WeakPolarHBondContact O-CB 3.38Å; A240-C244 PolarHBondContact O-N 3.03Å; A240-C244 PolarHBondContact O-SG 3.43Å; C244-N247 CarbonylContact O-C 3.59Å; C244-N247 PolarHBondContact O-N 3.21Å; C244-G248 PolarHBondContact O-N 3.33Å; C244-I249 HydrophobicContact CB-CB 3.95Å; C244-I249 HydrophobicContact CB-CG1 4.07Å; C244-I249 HydrophobicContact CB-CG2 4.39Å; C244-I249 VanDerWaalsContact O-CB 3.31Å; C244-I249 WeakPolarHBondContact O-CB 3.43Å; C244-I249 WeakPolarHBondContact O-CG1 3.14Å; C244-I249 PolarHBondContact O-N 2.82Å; C244-F251 HydrophobicContact CB-CE2 3.71Å; C244-F251 HydrophobicContact CB-CZ 3.56Å
245	R	92.4	Very high	91.8	Very high	82 Å²	82	56.1 Å²	56.1	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-42.2	176.3	-78.2	-173.1	176.7	94.9	-0	112.9	A241 A242 T243 N247 G248 F251 S281	A241-R245 WeakPolarHBondContact O-CG 3.48Å; A241-R245 PolarHBondContact O-N 3.2Å; A242-R245 PolarHBondContact O-N 3.47Å; T243-R245 VanDerWaalsContact C-N 3.34Å; T243-R245 PolarHBondContact O-N 3.24Å; R245-N247 PolarHBondContact O-N 2.82Å; R245-G248 PolarHBondContact O-N 3.14Å; R245-F251 HydrophobicContact CG-CD2 3.8Å; R245-F251 HydrophobicContact CG-CE2 3.88Å; R245-S281 PolarHBondContact NH1-O 2.78Å; R245-S281 VanDerWaalsContact NH2-C 3.25Å; R245-S281 PolarHBondContact NH2-O 2.93Å
246	Q	90.8	Very high	91.5	Very high	158 Å²	158	55.1 Å²	55.1	74%	0.738	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-33.8	176.2	-71.7	169.8	23.4	0	0	111.7	A242 T243 G248	A242-Q246 WeakPolarHBondContact O-CG 3.33Å; A242-Q246 PolarHBondContact O-N 3.25Å; T243-Q246 PolarHBondContact O-N 2.92Å; Q246-G248 VanDerWaalsContact C-N 3.26Å; Q246-G248 PolarHBondContact O-N 2.92Å
247	N	89.1	Confident	91.2	Very high	109 Å²	109	54.8 Å²	54.8	58%	0.583	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	10.4	174.5	-71	-67.6	0	0	0	114.1	T243 C244 R245	T243-N247 WeakPolarHBondContact CG2-ND2 3.34Å; T243-N247 PolarHBondContact O-N 2.93Å; T243-N247 PolarHBondContact O-ND2 3.22Å; C244-N247 CarbonylContact O-C 3.59Å; C244-N247 PolarHBondContact O-N 3.21Å; R245-N247 PolarHBondContact O-N 2.82Å
248	G	91.5	Very high	90.8	Very high	57 Å²	57	55.1 Å²	55.1	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	5.6	172.7	0	0	0	0	0	115.9	C244 R245 Q246 K250	C244-G248 PolarHBondContact O-N 3.33Å; R245-G248 PolarHBondContact O-N 3.14Å; Q246-G248 VanDerWaalsContact C-N 3.26Å; Q246-G248 PolarHBondContact O-N 2.92Å; G248-K250 PolarHBondContact O-N 2.97Å
249	I	92.9	Very high	90.6	Very high	59 Å²	59	53.5 Å²	53.5	30%	0.303	30%	0.296	S	S	.	.			trans	-70.3	130.3	173.5	-55.8	-60.7	0	0	0	109.8	C244 F251 T304	C244-I249 HydrophobicContact CB-CB 3.95Å; C244-I249 HydrophobicContact CB-CG1 4.07Å; C244-I249 HydrophobicContact CB-CG2 4.39Å; C244-I249 VanDerWaalsContact O-CB 3.31Å; C244-I249 WeakPolarHBondContact O-CB 3.43Å; C244-I249 WeakPolarHBondContact O-CG1 3.14Å; C244-I249 PolarHBondContact O-N 2.82Å; I249-F251 HydrophobicContact CB-CE2 4.35Å; I249-F251 HydrophobicContact CG2-CD2 4.47Å; I249-F251 HydrophobicContact CG2-CE1 4.27Å; I249-F251 HydrophobicContact CG2-CE2 3.97Å; I249-F251 HydrophobicContact CG2-CZ 3.87Å; I249-T304 HydrophobicContact CG2-CG2 3.77Å
250	K	94.1	Very high	90.4	Very high	141 Å²	141	54.9 Å²	54.9	61%	0.613	30%	0.299	S	S	*	.			trans	-98.2	139.7	175.1	-61.7	-179.5	-177.7	177.8	0	110.4	G248 T304 E305	G248-K250 PolarHBondContact O-N 2.97Å; K250-T304 CarbonylContact O-C 3.45Å; K250-T304 WeakPolarHBondContact O-CA 3.3Å; K250-E305 HydrophobicContact CB-CB 4.3Å; K250-E305 HydrophobicContact CB-CG 4.01Å; K250-E305 WeakPolarHBondContact CB-OE2 3.18Å; K250-E305 VanDerWaalsContact CD-OE2 3.24Å; K250-E305 WeakPolarHBondContact CD-OE2 2.84Å; K250-E305 PolarHBondContact O-N 3.07Å
251	F	93.7	Very high	90	Very high	10 Å²	10	57 Å²	57	4%	0.044	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-118.9	146.7	179.7	-66	-82.2	0	0	0	110.7	C244 R245 I249 T253 I302 F303 T304 L317	C244-F251 HydrophobicContact CB-CE2 3.71Å; C244-F251 HydrophobicContact CB-CZ 3.56Å; R245-F251 HydrophobicContact CG-CD2 3.8Å; R245-F251 HydrophobicContact CG-CE2 3.88Å; I249-F251 HydrophobicContact CB-CE2 4.35Å; I249-F251 HydrophobicContact CG2-CD2 4.47Å; I249-F251 HydrophobicContact CG2-CE1 4.27Å; I249-F251 HydrophobicContact CG2-CE2 3.97Å; I249-F251 HydrophobicContact CG2-CZ 3.87Å; F251-T253 PolarHBondContact O-N 3.39Å; F251-I302 HydrophobicContact CB-CD1 3.79Å; F251-I302 HydrophobicContact CB-CG1 4.03Å; F251-I302 HydrophobicContact CD1-CB 4.42Å; F251-I302 HydrophobicContact CD1-CD1 3.53Å; F251-I302 HydrophobicContact CD1-CG1 3.54Å; F251-I302 HydrophobicContact CD1-CG2 4.22Å; F251-I302 HydrophobicContact CD2-CD1 3.96Å; F251-I302 HydrophobicContact CE1-CD1 4.01Å; F251-I302 HydrophobicContact CE1-CG1 4.15Å; F251-I302 HydrophobicContact CE1-CG2 3.97Å; F251-I302 HydrophobicContact CE2-CD1 4.4Å; F251-I302 HydrophobicContact CG-CD1 3.49Å; F251-I302 VanDerWaalsContact CG-CD1 3.49Å; F251-I302 HydrophobicContact CG-CG1 3.9Å; F251-I302 HydrophobicContact CZ-CD1 4.41Å; F251-F303 CarbonylContact C-O 3.52Å; F251-F303 VanDerWaalsContact CA-O 3.32Å; F251-F303 WeakPolarHBondContact CA-O 3.38Å; F251-F303 WeakPolarHBondContact CD1-O 3.38Å; F251-T304 HydrophobicContact CD1-CG2 4.09Å; F251-T304 HydrophobicContact CE1-CG2 3.84Å; F251-L317 HydrophobicContact CE1-CD1 4.15Å; F251-L317 HydrophobicContact CE1-CG 4.44Å; F251-L317 HydrophobicContact CZ-CD1 4.07Å
252	I	89.7	Confident	89.7	Confident	22 Å²	22	57 Å²	57	11%	0.113	31%	0.312	C	S	.	.			trans	-64	134.1	171.1	-61.7	163.8	0	0	0	108.1	F303 T304 E305 L335 A338 L339	I252-F303 HydrophobicContact CD1-CB 4.13Å; I252-F303 PolarHBondContact N-O 2.92Å; I252-T304 WeakPolarHBondContact CD1-O 3.35Å; I252-E305 HydrophobicContact CG1-CG 4.42Å; I252-L335 HydrophobicContact CB-CD1 4.1Å; I252-L335 HydrophobicContact CD1-CD1 3.97Å; I252-L335 HydrophobicContact CG2-CD1 3.73Å; I252-A338 HydrophobicContact CG2-CB 4.33Å; I252-L339 HydrophobicContact CD1-CD2 3.89Å; I252-L339 HydrophobicContact CD1-CG 4.47Å; I252-L339 HydrophobicContact CG1-CD2 4.36Å; I252-L339 HydrophobicContact CG2-CD2 4.26Å; I252-L339 HydrophobicContact CG2-CG 4.5Å
253	T	87.3	Confident	89.2	Confident	99 Å²	99	58.6 Å²	58.6	61%	0.607	32%	0.321	S	S	*	.			trans	-105	119.4	-179.4	-58.9	0	0	0	0	109.6	F251	F251-T253 PolarHBondContact O-N 3.39Å
254	A	86.7	Confident	88.9	Confident	5 Å²	5	64.2 Å²	64.2	4%	0.041	35%	0.345	C	S	.	.			trans	-68.8	150.3	172.1	0	0	0	0	0	112	Y258 Y259 L284	A254-Y258 HydrophobicContact CB-CD1 4.26Å; A254-Y258 HydrophobicContact CB-CG 4.29Å; A254-Y259 HydrophobicContact CB-CE2 4.23Å; A254-L284 HydrophobicContact CB-CD2 3.55Å
255	P	84.3	Confident	88.4	Confident	27 Å²	27	66.6 Å²	66.6	18%	0.175	35%	0.35	C	S	.	.			trans	-65.6	150.5	179.2	29	-36.3	0	0	0	111.4	V257 Y258 E337 I341	P255-V257 HydrophobicContact CB-CG1 4.08Å; P255-V257 HydrophobicContact CG-CG1 3.99Å; P255-V257 PolarHBondContact O-N 2.94Å; P255-V257 VanDerWaalsContact O-N 3.1Å; P255-Y258 WeakPolarHBondContact O-CB 3.48Å; P255-Y258 PolarHBondContact O-N 3.27Å; P255-E337 HydrophobicContact CG-CG 4.38Å; P255-I341 HydrophobicContact CB-CD1 4.15Å; P255-I341 HydrophobicContact CG-CD1 4.31Å
256	D	86.5	Confident	87.9	Confident	87 Å²	87	63 Å²	63	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-53.7	-35.8	-177.8	-87.1	8.6	0	0	0	113.6	Y258 Y259 E260 K279	D256-Y258 PolarHBondContact O-N 3.39Å; D256-Y258 VanDerWaalsContact O-N 3.14Å; D256-Y259 PolarHBondContact O-N 2.89Å; D256-E260 WeakPolarHBondContact O-CG 3.48Å; D256-E260 PolarHBondContact O-N 2.85Å; D256-K279 VanDerWaalsContact CG-CE 3.49Å; D256-K279 WeakPolarHBondContact OD1-CE 3.33Å; D256-K279 IonicContact OD1-NZ 3.13Å; D256-K279 PolarHBondContact OD1-NZ 3.03Å; D256-K279 IonicContact OD2-NZ 2.76Å; D256-K279 PolarHBondContact OD2-NZ 3.44Å
257	V	86.5	Confident	87.6	Confident	64 Å²	64	59.4 Å²	59.4	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-56.6	-29	177	71.9	0	0	0	0	113	P255 T261	P255-V257 HydrophobicContact CB-CG1 4.08Å; P255-V257 HydrophobicContact CG-CG1 3.99Å; P255-V257 PolarHBondContact O-N 2.94Å; P255-V257 VanDerWaalsContact O-N 3.1Å; V257-T261 HydrophobicContact CG2-CG2 4.36Å; V257-T261 WeakPolarHBondContact O-CB 3.44Å; V257-T261 WeakPolarHBondContact O-CG2 3.12Å; V257-T261 PolarHBondContact O-N 3.22Å; V257-T261 VanDerWaalsContact O-N 3.09Å; V257-T261 PolarHBondContact O-OG1 2.62Å
258	Y	88.5	Confident	87.3	Confident	6 Å²	6	55.3 Å²	55.3	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-47.3	174.5	170.5	-96.4	0	0	0	111.2	A254 P255 D256 T261 L262 R265 L284 V285 N331 A334	A254-Y258 HydrophobicContact CB-CD1 4.26Å; A254-Y258 HydrophobicContact CB-CG 4.29Å; P255-Y258 WeakPolarHBondContact O-CB 3.48Å; P255-Y258 PolarHBondContact O-N 3.27Å; D256-Y258 PolarHBondContact O-N 3.39Å; D256-Y258 VanDerWaalsContact O-N 3.14Å; Y258-T261 PolarHBondContact O-OG1 2.99Å; Y258-T261 VanDerWaalsContact O-OG1 3.08Å; Y258-L262 HydrophobicContact CE1-CD1 4.38Å; Y258-L262 HydrophobicContact CE1-CD2 4.44Å; Y258-L262 WeakPolarHBondContact O-CB 3.32Å; Y258-L262 PolarHBondContact O-N 3.5Å; Y258-R265 PolarHBondContact O-NH2 2.87Å; Y258-L284 HydrophobicContact CD1-CD2 3.9Å; Y258-L284 HydrophobicContact CE1-CB 4.38Å; Y258-L284 HydrophobicContact CE1-CD2 3.5Å; Y258-L284 VanDerWaalsContact CE1-CD2 3.5Å; Y258-L284 HydrophobicContact CE2-CD2 4.28Å; Y258-L284 HydrophobicContact CG-CD2 4.47Å; Y258-L284 VanDerWaalsContact OH-CA 3.28Å; Y258-L284 WeakPolarHBondContact OH-CA 3.43Å; Y258-L284 WeakPolarHBondContact OH-CB 3.4Å; Y258-V285 PolarHBondContact OH-N 2.86Å; Y258-V285 PolarHBondContact OH-O 2.83Å; Y258-V285 VanDerWaalsContact OH-O 3.12Å; Y258-N331 PolarHBondContact OH-OD1 2.81Å; Y258-A334 HydrophobicContact CD2-CB 3.23Å; Y258-A334 HydrophobicContact CE2-CB 3.36Å; Y258-A334 HydrophobicContact CG-CB 4.2Å
259	Y	90.2	Very high	86.8	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-73.9	-37.2	-178.8	-60.8	-75.7	0	0	0	111.6	A254 D256 T261 L262 L275 L278 K279 G282	A254-Y259 HydrophobicContact CB-CE2 4.23Å; D256-Y259 PolarHBondContact O-N 2.89Å; Y259-T261 VanDerWaalsContact C-N 3.26Å; Y259-T261 PolarHBondContact O-N 2.9Å; Y259-L262 WeakPolarHBondContact O-CB 3.34Å; Y259-L262 PolarHBondContact O-N 3.3Å; Y259-L262 VanDerWaalsContact O-N 3.15Å; Y259-L275 HydrophobicContact CD1-CD1 4.45Å; Y259-L278 HydrophobicContact CE1-CB 4.36Å; Y259-K279 HydrophobicContact CD1-CB 3.84Å; Y259-K279 HydrophobicContact CD1-CG 4.38Å; Y259-K279 HydrophobicContact CD2-CB 4.13Å; Y259-K279 HydrophobicContact CD2-CD 4.28Å; Y259-K279 HydrophobicContact CD2-CG 3.75Å; Y259-K279 VanDerWaalsContact CE1-CA 3.48Å; Y259-K279 HydrophobicContact CE1-CB 4.17Å; Y259-K279 HydrophobicContact CE2-CB 4.43Å; Y259-K279 HydrophobicContact CE2-CG 4.12Å; Y259-K279 HydrophobicContact CG-CB 3.82Å; Y259-K279 HydrophobicContact CG-CD 4.31Å; Y259-K279 HydrophobicContact CG-CG 3.89Å; Y259-G282 WeakPolarHBondContact OH-CA 3.47Å
260	E	87.8	Confident	86.2	Confident	123 Å²	123	64.9 Å²	64.9	58%	0.575	33%	0.326	S	S	*	.	H	α-helix	trans	-58.6	-40	175.2	-68.7	172.7	-175.2	0	0	111.8	D256	D256-E260 WeakPolarHBondContact O-CG 3.48Å; D256-E260 PolarHBondContact O-N 2.85Å
261	T	86.6	Confident	85.4	Confident	44 Å²	44	59.5 Å²	59.5	27%	0.27	30%	0.303	S	S	.	.	H	α-helix	trans	-87.5	-9.1	178.7	60.3	0	0	0	0	113.6	V257 Y258 Y259 S263 Q264	V257-T261 HydrophobicContact CG2-CG2 4.36Å; V257-T261 WeakPolarHBondContact O-CB 3.44Å; V257-T261 WeakPolarHBondContact O-CG2 3.12Å; V257-T261 PolarHBondContact O-N 3.22Å; V257-T261 VanDerWaalsContact O-N 3.09Å; V257-T261 PolarHBondContact O-OG1 2.62Å; Y258-T261 PolarHBondContact O-OG1 2.99Å; Y258-T261 VanDerWaalsContact O-OG1 3.08Å; Y259-T261 VanDerWaalsContact C-N 3.26Å; Y259-T261 PolarHBondContact O-N 2.9Å; T261-S263 PolarHBondContact O-N 3.44Å; T261-Q264 WeakPolarHBondContact O-CB 3.49Å; T261-Q264 PolarHBondContact O-N 2.95Å
262	L	86.9	Confident	84.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-41.4	-175.6	-171.2	62.8	0	0	0	112.1	Y258 Y259 Q264 R265 I266 L268 L275 L278 V285	Y258-L262 HydrophobicContact CE1-CD1 4.38Å; Y258-L262 HydrophobicContact CE1-CD2 4.44Å; Y258-L262 WeakPolarHBondContact O-CB 3.32Å; Y258-L262 PolarHBondContact O-N 3.5Å; Y259-L262 WeakPolarHBondContact O-CB 3.34Å; Y259-L262 PolarHBondContact O-N 3.3Å; Y259-L262 VanDerWaalsContact O-N 3.15Å; L262-Q264 PolarHBondContact O-N 3.42Å; L262-R265 PolarHBondContact O-N 3.37Å; L262-I266 HydrophobicContact CD1-CD1 3.97Å; L262-I266 HydrophobicContact CD1-CG1 4.36Å; L262-I266 PolarHBondContact O-N 3.37Å; L262-L268 HydrophobicContact CD2-CD2 4.2Å; L262-L268 HydrophobicContact CG-CD2 4.29Å; L262-L275 HydrophobicContact CB-CD1 4.3Å; L262-L275 HydrophobicContact CD2-CD1 3.99Å; L262-L278 HydrophobicContact CD2-CD1 3.98Å; L262-V285 HydrophobicContact CD1-CB 4.41Å; L262-V285 HydrophobicContact CD2-CG2 4.39Å
263	S	83.2	Confident	84.8	Confident	69 Å²	69	63.9 Å²	63.9	48%	0.483	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-21.1	178.4	64.5	0	0	0	0	114	T261	T261-S263 PolarHBondContact O-N 3.44Å
264	Q	84.6	Confident	84.9	Confident	156 Å²	156	62.7 Å²	62.7	73%	0.729	33%	0.325	S	S	*	.	H	α-helix	trans	-81.1	-25.1	175.4	-57.1	174.3	6.4	0	0	111.7	T261 L262	T261-Q264 WeakPolarHBondContact O-CB 3.49Å; T261-Q264 PolarHBondContact O-N 2.95Å; L262-Q264 PolarHBondContact O-N 3.42Å
265	R	82.5	Confident	85.1	Confident	76 Å²	76	64.7 Å²	64.7	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-94	-37.3	-177	-65.9	180	-74.1	159.5	-1.4	111.7	Y258 L262 K287	Y258-R265 PolarHBondContact O-NH2 2.87Å; L262-R265 PolarHBondContact O-N 3.37Å; R265-K287 WeakPolarHBondContact O-CD 3.5Å; R265-K287 WeakPolarHBondContact O-CE 3.45Å; R265-K287 PolarHBondContact O-NZ 2.99Å
266	I	83.2	Confident	85.4	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.026	35%	0.354	C	S	.	.	S	Bend	trans	-128.3	134.6	-172.2	-54.8	-175.6	0	0	0	110.3	L262 L268 F271 L273 V285 K287	L262-I266 HydrophobicContact CD1-CD1 3.97Å; L262-I266 HydrophobicContact CD1-CG1 4.36Å; L262-I266 PolarHBondContact O-N 3.37Å; I266-L268 VanDerWaalsContact C-N 3.32Å; I266-L268 HydrophobicContact CB-CD2 4.47Å; I266-L268 HydrophobicContact CG2-CD2 4.43Å; I266-L268 PolarHBondContact O-N 3.26Å; I266-F271 HydrophobicContact CG2-CD2 4.39Å; I266-L273 HydrophobicContact CG2-CD1 4.04Å; I266-V285 HydrophobicContact CD1-CB 3.85Å; I266-V285 HydrophobicContact CD1-CG1 3.53Å; I266-V285 WeakPolarHBondContact CD1-O 3.31Å; I266-K287 HydrophobicContact CD1-CB 4.21Å; I266-K287 HydrophobicContact CG1-CB 4.1Å; I266-K287 HydrophobicContact CG1-CD 4.27Å; I266-K287 HydrophobicContact CG1-CG 4.16Å
267	N	83	Confident	85.7	Confident	83 Å²	83	70.3 Å²	70.3	44%	0.444	35%	0.354	S	S	.	.			trans	-75.2	83.9	171.6	-172.7	-6.5	0	0	0	110.5	K269 E270 F271	N267-K269 PolarHBondContact O-N 2.89Å; N267-K269 VanDerWaalsContact O-N 3.12Å; N267-E270 HydrophobicContact CB-CB 3.99Å; N267-E270 WeakPolarHBondContact ND2-CB 3.18Å; N267-E270 PolarHBondContact ND2-OE2 2.97Å; N267-E270 PolarHBondContact O-N 3.46Å; N267-E270 VanDerWaalsContact O-N 3.11Å; N267-F271 WeakPolarHBondContact O-CD2 3.5Å; N267-F271 PolarHBondContact O-N 2.76Å
268	L	83.4	Confident	86	Confident	24 Å²	24	67.4 Å²	67.4	13%	0.126	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-37.3	-173.8	-61.9	177.5	0	0	0	113.7	L262 I266 F271 S272 L273 L275 L278	L262-L268 HydrophobicContact CD2-CD2 4.2Å; L262-L268 HydrophobicContact CG-CD2 4.29Å; I266-L268 VanDerWaalsContact C-N 3.32Å; I266-L268 HydrophobicContact CB-CD2 4.47Å; I266-L268 HydrophobicContact CG2-CD2 4.43Å; I266-L268 PolarHBondContact O-N 3.26Å; L268-F271 PolarHBondContact O-N 3Å; L268-S272 PolarHBondContact O-N 3.06Å; L268-L273 HydrophobicContact CB-CB 4.25Å; L268-L273 HydrophobicContact CD2-CB 3.81Å; L268-L273 HydrophobicContact CD2-CD1 4.05Å; L268-L273 PolarHBondContact O-N 2.78Å; L268-L275 HydrophobicContact CD1-CB 3.84Å; L268-L275 HydrophobicContact CD1-CD1 4.06Å; L268-L275 HydrophobicContact CD1-CD2 4.37Å; L268-L275 HydrophobicContact CD1-CG 4.31Å; L268-L278 HydrophobicContact CD2-CD1 4.41Å
269	K	81.3	Confident	86.2	Confident	192 Å²	192	70.2 Å²	70.2	84%	0.835	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-42.8	-179.8	-71.1	-174.7	179.4	180	0	112.5	N267 F271 S272	N267-K269 PolarHBondContact O-N 2.89Å; N267-K269 VanDerWaalsContact O-N 3.12Å; K269-F271 PolarHBondContact O-N 3.47Å; K269-S272 PolarHBondContact O-N 3.25Å
270	E	79.2	Confident	86.3	Confident	125 Å²	125	74.9 Å²	74.9	58%	0.584	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-34.4	-179.5	-178.3	177	175.4	0	0	111.7	N267	N267-E270 HydrophobicContact CB-CB 3.99Å; N267-E270 WeakPolarHBondContact ND2-CB 3.18Å; N267-E270 PolarHBondContact ND2-OE2 2.97Å; N267-E270 PolarHBondContact O-N 3.46Å; N267-E270 VanDerWaalsContact O-N 3.11Å
271	F	77.3	Confident	86.5	Confident	28 Å²	28	69.7 Å²	69.7	12%	0.123	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	13.4	-177.6	-65	-78.9	0	0	0	114.2	I266 N267 L268 K269 L273 Q295 R321	I266-F271 HydrophobicContact CG2-CD2 4.39Å; N267-F271 WeakPolarHBondContact O-CD2 3.5Å; N267-F271 PolarHBondContact O-N 2.76Å; L268-F271 PolarHBondContact O-N 3Å; K269-F271 PolarHBondContact O-N 3.47Å; F271-L273 HydrophobicContact CB-CD1 3.88Å; F271-L273 HydrophobicContact CB-CG 4.05Å; F271-L273 PolarHBondContact O-N 2.85Å; F271-Q295 HydrophobicContact CE1-CG 4.2Å; F271-Q295 VanDerWaalsContact CE1-NE2 3.29Å; F271-Q295 HydrophobicContact CE2-CG 4.25Å; F271-Q295 HydrophobicContact CZ-CB 4.18Å; F271-Q295 HydrophobicContact CZ-CG 3.69Å; F271-R321 PolarHBondContact O-NH1 3.04Å
272	S	84.8	Confident	86.8	Confident	107 Å²	107	67.8 Å²	67.8	75%	0.748	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	43.4	-178.4	-55.9	0	0	0	0	112.8	L268 K269	L268-S272 PolarHBondContact O-N 3.06Å; K269-S272 PolarHBondContact O-N 3.25Å
273	L	85.8	Confident	87.2	Confident	16 Å²	16	67.8 Å²	67.8	8%	0.084	34%	0.344	C	S	.	.			trans	-101.7	127	178.8	-66.7	168.9	0	0	0	109.7	I266 L268 F271 L278 V285 L300 R321	I266-L273 HydrophobicContact CG2-CD1 4.04Å; L268-L273 HydrophobicContact CB-CB 4.25Å; L268-L273 HydrophobicContact CD2-CB 3.81Å; L268-L273 HydrophobicContact CD2-CD1 4.05Å; L268-L273 PolarHBondContact O-N 2.78Å; F271-L273 HydrophobicContact CB-CD1 3.88Å; F271-L273 HydrophobicContact CB-CG 4.05Å; F271-L273 PolarHBondContact O-N 2.85Å; L273-L278 HydrophobicContact CB-CD1 4.09Å; L273-L278 HydrophobicContact CD2-CD1 4.38Å; L273-V285 HydrophobicContact CD1-CG1 3.76Å; L273-V285 HydrophobicContact CD1-CG2 4.47Å; L273-V285 HydrophobicContact CD2-CG2 4.46Å; L273-L300 HydrophobicContact CD2-CD1 4.36Å; L273-L300 HydrophobicContact CD2-CD2 3.89Å; L273-L300 HydrophobicContact CD2-CG 4.4Å; L273-R321 VanDerWaalsContact CD2-NH1 3.28Å
274	D	90.2	Very high	87.7	Confident	74 Å²	74	64.7 Å²	64.7	40%	0.396	32%	0.322	S	S	.	.			trans	-98.5	113.7	176.8	-178	-31.4	0	0	0	109.2	E276 K277 L278	D274-E276 VanDerWaalsContact C-N 3.32Å; D274-E276 PolarHBondContact O-N 3.26Å; D274-E276 PolarHBondContact OD1-N 3.18Å; D274-K277 HydrophobicContact CB-CB 3.99Å; D274-K277 HydrophobicContact CB-CD 3.99Å; D274-K277 HydrophobicContact CB-CG 4.01Å; D274-K277 PolarHBondContact O-N 3.27Å; D274-K277 PolarHBondContact OD1-N 3.41Å; D274-L278 VanDerWaalsContact O-CG 3.26Å; D274-L278 WeakPolarHBondContact O-CG 3.25Å; D274-L278 PolarHBondContact O-N 3.33Å
275	L	90.7	Very high	88.2	Confident	48 Å²	48	57.3 Å²	57.3	25%	0.251	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-41.8	-175.5	-174	57.7	0	0	0	112.5	Y259 L262 L268 L278 K279	Y259-L275 HydrophobicContact CD1-CD1 4.45Å; L262-L275 HydrophobicContact CB-CD1 4.3Å; L262-L275 HydrophobicContact CD2-CD1 3.99Å; L268-L275 HydrophobicContact CD1-CB 3.84Å; L268-L275 HydrophobicContact CD1-CD1 4.06Å; L268-L275 HydrophobicContact CD1-CD2 4.37Å; L268-L275 HydrophobicContact CD1-CG 4.31Å; L275-L278 PolarHBondContact O-N 2.98Å; L275-K279 WeakPolarHBondContact O-CB 3.36Å; L275-K279 PolarHBondContact O-N 2.96Å
276	E	91.4	Very high	88.6	Confident	123 Å²	123	54.3 Å²	54.3	58%	0.575	28%	0.278	S	S	*	.	H	α-helix	trans	-67.6	-44	-178.2	-71.2	-58.3	131.7	0	0	109.7	D274 L278 K279 T280	D274-E276 VanDerWaalsContact C-N 3.32Å; D274-E276 PolarHBondContact O-N 3.26Å; D274-E276 PolarHBondContact OD1-N 3.18Å; E276-L278 PolarHBondContact O-N 2.79Å; E276-K279 PolarHBondContact O-N 3.49Å; E276-T280 WeakPolarHBondContact O-CB 3.2Å; E276-T280 WeakPolarHBondContact O-CG2 3.3Å; E276-T280 PolarHBondContact O-N 2.63Å; E276-T280 PolarHBondContact O-OG1 3.28Å
277	K	92.6	Very high	88.8	Confident	109 Å²	109	57.5 Å²	57.5	47%	0.474	29%	0.291	S	S	.	.	H	α-helix	trans	-61.1	-44.3	175.1	-68.5	-175.2	-175.6	-176.8	0	112.1	I238 D274 T280 S281	I238-K277 HydrophobicContact CD1-CB 4.28Å; I238-K277 HydrophobicContact CD1-CD 4.38Å; D274-K277 HydrophobicContact CB-CB 3.99Å; D274-K277 HydrophobicContact CB-CD 3.99Å; D274-K277 HydrophobicContact CB-CG 4.01Å; D274-K277 PolarHBondContact O-N 3.27Å; D274-K277 PolarHBondContact OD1-N 3.41Å; K277-T280 WeakPolarHBondContact CA-OG1 3.43Å; K277-T280 PolarHBondContact O-OG1 2.84Å; K277-T280 VanDerWaalsContact O-OG1 3.11Å; K277-S281 WeakPolarHBondContact O-CB 3.39Å; K277-S281 PolarHBondContact O-N 2.82Å; K277-S281 PolarHBondContact O-OG 2.95Å
278	L	93.7	Very high	88.9	Confident	2 Å²	2	55 Å²	55	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-48.4	176.9	-70.7	170.9	0	0	0	110.9	Y259 L262 L268 L273 D274 L275 E276 S281 G282 I283 V285 L300	Y259-L278 HydrophobicContact CE1-CB 4.36Å; L262-L278 HydrophobicContact CD2-CD1 3.98Å; L268-L278 HydrophobicContact CD2-CD1 4.41Å; L273-L278 HydrophobicContact CB-CD1 4.09Å; L273-L278 HydrophobicContact CD2-CD1 4.38Å; D274-L278 VanDerWaalsContact O-CG 3.26Å; D274-L278 WeakPolarHBondContact O-CG 3.25Å; D274-L278 PolarHBondContact O-N 3.33Å; L275-L278 PolarHBondContact O-N 2.98Å; E276-L278 PolarHBondContact O-N 2.79Å; L278-S281 CarbonylContact O-C 3.59Å; L278-S281 PolarHBondContact O-N 3.07Å; L278-G282 PolarHBondContact O-N 2.97Å; L278-I283 HydrophobicContact CD2-CB 3.81Å; L278-I283 HydrophobicContact CD2-CG2 3.62Å; L278-I283 PolarHBondContact O-N 3.45Å; L278-V285 HydrophobicContact CD1-CG2 3.58Å; L278-V285 HydrophobicContact CD2-CG2 3.61Å; L278-V285 HydrophobicContact CG-CG2 4.22Å; L278-L300 HydrophobicContact CD2-CD2 4.37Å
279	K	92.4	Very high	89	Confident	65 Å²	65	56.9 Å²	56.9	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-52.4	178.8	-177.1	173.7	-178.9	175.9	0	112	D256 Y259 L275 E276 S281 G282	D256-K279 VanDerWaalsContact CG-CE 3.49Å; D256-K279 WeakPolarHBondContact OD1-CE 3.33Å; D256-K279 IonicContact OD1-NZ 3.13Å; D256-K279 PolarHBondContact OD1-NZ 3.03Å; D256-K279 IonicContact OD2-NZ 2.76Å; D256-K279 PolarHBondContact OD2-NZ 3.44Å; Y259-K279 HydrophobicContact CD1-CB 3.84Å; Y259-K279 HydrophobicContact CD1-CG 4.38Å; Y259-K279 HydrophobicContact CD2-CB 4.13Å; Y259-K279 HydrophobicContact CD2-CD 4.28Å; Y259-K279 HydrophobicContact CD2-CG 3.75Å; Y259-K279 VanDerWaalsContact CE1-CA 3.48Å; Y259-K279 HydrophobicContact CE1-CB 4.17Å; Y259-K279 HydrophobicContact CE2-CB 4.43Å; Y259-K279 HydrophobicContact CE2-CG 4.12Å; Y259-K279 HydrophobicContact CG-CB 3.82Å; Y259-K279 HydrophobicContact CG-CD 4.31Å; Y259-K279 HydrophobicContact CG-CG 3.89Å; L275-K279 WeakPolarHBondContact O-CB 3.36Å; L275-K279 PolarHBondContact O-N 2.96Å; E276-K279 PolarHBondContact O-N 3.49Å; K279-S281 PolarHBondContact O-N 2.8Å; K279-G282 PolarHBondContact O-N 2.89Å; K279-G282 VanDerWaalsContact O-N 3.12Å
280	T	91.6	Very high	89.1	Confident	104 Å²	104	49.9 Å²	49.9	64%	0.638	26%	0.258	S	S	*	.	H	α-helix	trans	-63.4	-32.4	179.8	55.5	0	0	0	0	112.4	E276 K277	E276-T280 WeakPolarHBondContact O-CB 3.2Å; E276-T280 WeakPolarHBondContact O-CG2 3.3Å; E276-T280 PolarHBondContact O-N 2.63Å; E276-T280 PolarHBondContact O-OG1 3.28Å; K277-T280 WeakPolarHBondContact CA-OG1 3.43Å; K277-T280 PolarHBondContact O-OG1 2.84Å; K277-T280 VanDerWaalsContact O-OG1 3.11Å
281	S	92.6	Very high	89.3	Confident	13 Å²	13	50.7 Å²	50.7	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-86	-7	178.9	-65.8	0	0	0	0	113.2	R245 K277 L278 K279 I283 I302	R245-S281 PolarHBondContact NH1-O 2.78Å; R245-S281 VanDerWaalsContact NH2-C 3.25Å; R245-S281 PolarHBondContact NH2-O 2.93Å; K277-S281 WeakPolarHBondContact O-CB 3.39Å; K277-S281 PolarHBondContact O-N 2.82Å; K277-S281 PolarHBondContact O-OG 2.95Å; L278-S281 CarbonylContact O-C 3.59Å; L278-S281 PolarHBondContact O-N 3.07Å; K279-S281 PolarHBondContact O-N 2.8Å; S281-I283 VanDerWaalsContact CB-CD1 3.49Å; S281-I283 PolarHBondContact O-N 3.04Å; S281-I302 WeakPolarHBondContact O-CD1 3.41Å
282	G	92.4	Very high	89.6	Confident	4 Å²	4	56.4 Å²	56.4	4%	0.041	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	16.7	-176.9	0	0	0	0	0	114.4	Y259 L278 K279	Y259-G282 WeakPolarHBondContact OH-CA 3.47Å; L278-G282 PolarHBondContact O-N 2.97Å; K279-G282 PolarHBondContact O-N 2.89Å; K279-G282 VanDerWaalsContact O-N 3.12Å
283	I	95.5	Very high	89.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.			trans	-84.2	128	-173.7	-66.8	158.9	0	0	0	109.8	I237 I238 L278 S281 L300 I302	I237-I283 HydrophobicContact CD1-CG2 4.43Å; I237-I283 HydrophobicContact CG2-CD1 3.9Å; I237-I283 HydrophobicContact CG2-CG2 4.28Å; I238-I283 HydrophobicContact CB-CD1 4.34Å; I238-I283 HydrophobicContact CG1-CD1 3.66Å; L278-I283 HydrophobicContact CD2-CB 3.81Å; L278-I283 HydrophobicContact CD2-CG2 3.62Å; L278-I283 PolarHBondContact O-N 3.45Å; S281-I283 VanDerWaalsContact CB-CD1 3.49Å; S281-I283 PolarHBondContact O-N 3.04Å; I283-L300 HydrophobicContact CG2-CB 4.02Å; I283-L300 HydrophobicContact CG2-CD2 4.29Å; I283-L300 HydrophobicContact CG2-CG 4.4Å; I283-I302 HydrophobicContact CG1-CB 4.25Å; I283-I302 HydrophobicContact CG1-CD1 4.35Å
284	L	94.8	Very high	89.5	Confident	5 Å²	5	57 Å²	57	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	145	173.1	-47.9	-175.1	0	0	0	109.9	A254 Y258 L300 Q301 F303 N331 L335	A254-L284 HydrophobicContact CB-CD2 3.55Å; Y258-L284 HydrophobicContact CD1-CD2 3.9Å; Y258-L284 HydrophobicContact CE1-CB 4.38Å; Y258-L284 HydrophobicContact CE1-CD2 3.5Å; Y258-L284 VanDerWaalsContact CE1-CD2 3.5Å; Y258-L284 HydrophobicContact CE2-CD2 4.28Å; Y258-L284 HydrophobicContact CG-CD2 4.47Å; Y258-L284 VanDerWaalsContact OH-CA 3.28Å; Y258-L284 WeakPolarHBondContact OH-CA 3.43Å; Y258-L284 WeakPolarHBondContact OH-CB 3.4Å; L284-L300 CarbonylContact O-C 3.58Å; L284-L300 VanDerWaalsContact O-CA 3.26Å; L284-L300 WeakPolarHBondContact O-CA 3.4Å; L284-Q301 PolarHBondContact N-O 3Å; L284-Q301 PolarHBondContact O-N 3.38Å; L284-F303 HydrophobicContact CD1-CD2 4.37Å; L284-F303 HydrophobicContact CD1-CE2 4.09Å; L284-N331 HydrophobicContact CB-CB 4.01Å; L284-N331 WeakPolarHBondContact CB-OD1 3.28Å; L284-N331 HydrophobicContact CD1-CB 4.16Å; L284-L335 HydrophobicContact CD1-CB 4.33Å
285	V	93.4	Very high	89.2	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.2	176.2	-167.1	0	0	0	0	109.9	Y258 L262 I266 L273 L278 L299 L300 N331	Y258-V285 PolarHBondContact OH-N 2.86Å; Y258-V285 PolarHBondContact OH-O 2.83Å; Y258-V285 VanDerWaalsContact OH-O 3.12Å; L262-V285 HydrophobicContact CD1-CB 4.41Å; L262-V285 HydrophobicContact CD2-CG2 4.39Å; I266-V285 HydrophobicContact CD1-CB 3.85Å; I266-V285 HydrophobicContact CD1-CG1 3.53Å; I266-V285 WeakPolarHBondContact CD1-O 3.31Å; L273-V285 HydrophobicContact CD1-CG1 3.76Å; L273-V285 HydrophobicContact CD1-CG2 4.47Å; L273-V285 HydrophobicContact CD2-CG2 4.46Å; L278-V285 HydrophobicContact CD1-CG2 3.58Å; L278-V285 HydrophobicContact CD2-CG2 3.61Å; L278-V285 HydrophobicContact CG-CG2 4.22Å; V285-L299 CarbonylContact C-O 3.59Å; V285-L299 WeakPolarHBondContact CA-O 3.29Å; V285-L300 HydrophobicContact CG1-CD1 4.34Å; V285-L300 HydrophobicContact CG1-CG 4.34Å; V285-L300 HydrophobicContact CG2-CG 4.15Å; V285-N331 PolarHBondContact N-OD1 3.44Å; V285-N331 PolarHBondContact O-OD1 3.04Å; V285-N331 VanDerWaalsContact O-OD1 3.08Å
286	D	90.8	Very high	89	Confident	13 Å²	13	55.7 Å²	55.7	7%	0.07	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.2	166.8	-156.6	-0.6	0	0	0	109.8	S298 L299 G328 E329 N330 N331	D286-S298 CarbonylContact O-C 3.45Å; D286-S298 VanDerWaalsContact O-CA 3.3Å; D286-S298 WeakPolarHBondContact O-CA 3.04Å; D286-L299 HydrophobicContact CB-CB 4.46Å; D286-L299 PolarHBondContact N-O 3.14Å; D286-L299 PolarHBondContact O-N 3.38Å; D286-G328 WeakPolarHBondContact OD2-CA 3.4Å; D286-E329 PolarHBondContact OD2-N 3.11Å; D286-N330 WeakPolarHBondContact OD1-CB 3.08Å; D286-N330 PolarHBondContact OD1-ND2 3.45Å; D286-N330 PolarHBondContact OD2-N 2.85Å; D286-N330 PolarHBondContact OD2-ND2 3.39Å; D286-N331 PolarHBondContact N-ND2 2.96Å; D286-N331 PolarHBondContact N-OD1 2.71Å
287	K	87.8	Confident	88.8	Confident	72 Å²	72	49.8 Å²	49.8	31%	0.313	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.2	171.2	63.5	173.3	-175.8	-175.3	0	108.9	R265 I266 L289 Q295	R265-K287 WeakPolarHBondContact O-CD 3.5Å; R265-K287 WeakPolarHBondContact O-CE 3.45Å; R265-K287 PolarHBondContact O-NZ 2.99Å; I266-K287 HydrophobicContact CD1-CB 4.21Å; I266-K287 HydrophobicContact CG1-CB 4.1Å; I266-K287 HydrophobicContact CG1-CD 4.27Å; I266-K287 HydrophobicContact CG1-CG 4.16Å; K287-L289 HydrophobicContact CD-CD2 4Å; K287-L289 HydrophobicContact CG-CD2 4.27Å; K287-Q295 HydrophobicContact CB-CG 4.1Å
288	E	85.9	Confident	88.7	Confident	31 Å²	31	44.6 Å²	44.6	15%	0.145	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.3	176.5	-166.9	168.3	159.9	0	0	109.6	Q295 I296 G297 S324 T325 G326	E288-Q295 CarbonylContact O-C 3.6Å; E288-Q295 WeakPolarHBondContact O-CA 3.29Å; E288-I296 HydrophobicContact CB-CG1 4.22Å; E288-I296 HydrophobicContact CG-CD1 4.17Å; E288-I296 HydrophobicContact CG-CG1 4.12Å; E288-I296 WeakPolarHBondContact O-CG1 3.09Å; E288-I296 PolarHBondContact O-N 2.95Å; E288-G297 PolarHBondContact N-O 2.92Å; E288-S324 VanDerWaalsContact OE2-C 3.28Å; E288-S324 WeakPolarHBondContact OE2-CA 3.46Å; E288-S324 VanDerWaalsContact OE2-CB 3.28Å; E288-S324 WeakPolarHBondContact OE2-CB 3.4Å; E288-S324 PolarHBondContact OE2-OG 3.14Å; E288-T325 VanDerWaalsContact CD-N 3.25Å; E288-T325 PolarHBondContact OE1-N 2.85Å; E288-T325 PolarHBondContact OE1-OG1 3.2Å; E288-T325 PolarHBondContact OE2-N 2.97Å; E288-G326 PolarHBondContact OE1-N 3.47Å; E288-G326 PolarHBondContact OE2-N 3.13Å
289	L	85.4	Confident	88.7	Confident	63 Å²	63	44.7 Å²	44.7	33%	0.33	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	146.8	-178.7	-52.7	-177	0	0	0	110.1	K287 N294 Q295	K287-L289 HydrophobicContact CD-CD2 4Å; K287-L289 HydrophobicContact CG-CD2 4.27Å; L289-N294 CarbonylContact C-O 3.55Å; L289-N294 VanDerWaalsContact CA-O 3.29Å; L289-N294 WeakPolarHBondContact CA-O 3.05Å; L289-Q295 HydrophobicContact CD2-CB 3.88Å; L289-Q295 HydrophobicContact CD2-CG 4.44Å
290	N	83.9	Confident	88.8	Confident	44 Å²	44	41.6 Å²	41.6	24%	0.235	23%	0.227	C	C	.	.			trans	-79.8	-179.8	165.8	73.1	0.7	0	0	0	111.3	E292 G293 N294 I296	N290-E292 PolarHBondContact ND2-OE2 2.78Å; N290-E292 PolarHBondContact O-N 3.43Å; N290-E292 VanDerWaalsContact O-N 3.08Å; N290-E292 WeakPolarHBondContact OD1-CA 3.48Å; N290-E292 WeakPolarHBondContact OD1-CB 3.4Å; N290-E292 PolarHBondContact OD1-N 3.23Å; N290-G293 PolarHBondContact O-N 2.93Å; N290-G293 PolarHBondContact OD1-N 2.77Å; N290-G293 VanDerWaalsContact OD1-N 3.14Å; N290-N294 PolarHBondContact N-O 2.6Å; N290-N294 WeakPolarHBondContact OD1-CB 3.44Å; N290-N294 PolarHBondContact OD1-N 2.73Å; N290-N294 PolarHBondContact OD1-O 2.77Å; N290-I296 HydrophobicContact CB-CG2 3.82Å
291	N	82.4	Confident	89.1	Confident	142 Å²	142	36.8 Å²	36.8	76%	0.759	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.3	177.6	-67.1	-21.8	0	0	0	114.4	I162	I162-N291 WeakPolarHBondContact CD1-OD1 3.25Å
292	E	84.6	Confident	89.2	Confident	149 Å²	149	36.2 Å²	36.2	70%	0.696	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-2	177.8	-56.3	167	163.2	0	0	112.1	N290 N294	N290-E292 PolarHBondContact ND2-OE2 2.78Å; N290-E292 PolarHBondContact O-N 3.43Å; N290-E292 VanDerWaalsContact O-N 3.08Å; N290-E292 WeakPolarHBondContact OD1-CA 3.48Å; N290-E292 WeakPolarHBondContact OD1-CB 3.4Å; N290-E292 PolarHBondContact OD1-N 3.23Å; E292-N294 VanDerWaalsContact C-N 3.32Å; E292-N294 PolarHBondContact OE2-ND2 2.98Å; E292-N294 VanDerWaalsContact OE2-ND2 3.1Å
293	G	83.3	Confident	89.3	Confident	45 Å²	45	36.4 Å²	36.4	46%	0.464	19%	0.193	S	C	.	.	S	Bend	trans	81.3	7.5	-176.4	0	0	0	0	0	114.4	N290	N290-G293 PolarHBondContact O-N 2.93Å; N290-G293 PolarHBondContact OD1-N 2.77Å; N290-G293 VanDerWaalsContact OD1-N 3.14Å
294	N	84.7	Confident	89.3	Confident	89 Å²	89	36.6 Å²	36.6	48%	0.476	19%	0.194	S	C	.	.			trans	-82.3	134.9	177.8	-65	-44.5	0	0	0	110.3	L289 N290 E292 I296	L289-N294 CarbonylContact C-O 3.55Å; L289-N294 VanDerWaalsContact CA-O 3.29Å; L289-N294 WeakPolarHBondContact CA-O 3.05Å; N290-N294 PolarHBondContact N-O 2.6Å; N290-N294 WeakPolarHBondContact OD1-CB 3.44Å; N290-N294 PolarHBondContact OD1-N 2.73Å; N290-N294 PolarHBondContact OD1-O 2.77Å; E292-N294 VanDerWaalsContact C-N 3.32Å; E292-N294 PolarHBondContact OE2-ND2 2.98Å; E292-N294 VanDerWaalsContact OE2-ND2 3.1Å; N294-I296 PolarHBondContact O-N 2.86Å
295	Q	84.7	Confident	89.1	Confident	51 Å²	51	40.4 Å²	40.4	24%	0.238	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.6	177.6	-174.3	172.4	-17.8	0	0	110.8	F271 K287 E288 L289 G297 S298	F271-Q295 HydrophobicContact CE1-CG 4.2Å; F271-Q295 VanDerWaalsContact CE1-NE2 3.29Å; F271-Q295 HydrophobicContact CE2-CG 4.25Å; F271-Q295 HydrophobicContact CZ-CB 4.18Å; F271-Q295 HydrophobicContact CZ-CG 3.69Å; K287-Q295 HydrophobicContact CB-CG 4.1Å; E288-Q295 CarbonylContact O-C 3.6Å; E288-Q295 WeakPolarHBondContact O-CA 3.29Å; L289-Q295 HydrophobicContact CD2-CB 3.88Å; L289-Q295 HydrophobicContact CD2-CG 4.44Å; Q295-G297 WeakPolarHBondContact CG-O 2.92Å; Q295-G297 PolarHBondContact NE2-O 2.82Å; Q295-S298 PolarHBondContact NE2-OG 2.94Å
296	I	85.9	Confident	88.8	Confident	44 Å²	44	44.1 Å²	44.1	23%	0.226	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-19.3	179.5	59.4	168.2	0	0	0	112.7	E288 N290 N294 N322 Q323	E288-I296 HydrophobicContact CB-CG1 4.22Å; E288-I296 HydrophobicContact CG-CD1 4.17Å; E288-I296 HydrophobicContact CG-CG1 4.12Å; E288-I296 WeakPolarHBondContact O-CG1 3.09Å; E288-I296 PolarHBondContact O-N 2.95Å; N290-I296 HydrophobicContact CB-CG2 3.82Å; N294-I296 PolarHBondContact O-N 2.86Å; I296-N322 WeakPolarHBondContact O-CB 3.34Å; I296-Q323 HydrophobicContact CB-CB 4.33Å; I296-Q323 WeakPolarHBondContact O-CB 3.33Å; I296-Q323 PolarHBondContact O-N 2.9Å; I296-Q323 VanDerWaalsContact O-N 3.13Å
297	G	87.4	Confident	88.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	178.7	-179.9	0	0	0	0	0	113.8	E288 Q295 R321	E288-G297 PolarHBondContact N-O 2.92Å; Q295-G297 WeakPolarHBondContact CG-O 2.92Å; Q295-G297 PolarHBondContact NE2-O 2.82Å; G297-R321 WeakPolarHBondContact CA-O 3.41Å
298	S	90	Very high	88.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141	174.2	-59.9	0	0	0	0	109.2	D286 Q295 R321	D286-S298 CarbonylContact O-C 3.45Å; D286-S298 VanDerWaalsContact O-CA 3.3Å; D286-S298 WeakPolarHBondContact O-CA 3.04Å; Q295-S298 PolarHBondContact NE2-OG 2.94Å; S298-R321 PolarHBondContact N-O 2.62Å; S298-R321 PolarHBondContact O-N 3.45Å
299	L	93.1	Very high	87.8	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.6	177	-167.9	66.3	0	0	0	108.8	V285 D286 Q301 I318 R320 G328 N331	V285-L299 CarbonylContact C-O 3.59Å; V285-L299 WeakPolarHBondContact CA-O 3.29Å; D286-L299 HydrophobicContact CB-CB 4.46Å; D286-L299 PolarHBondContact N-O 3.14Å; D286-L299 PolarHBondContact O-N 3.38Å; L299-Q301 HydrophobicContact CD2-CG 4.16Å; L299-Q301 HydrophobicContact CG-CG 3.98Å; L299-I318 HydrophobicContact CD1-CD1 3.58Å; L299-I318 HydrophobicContact CD1-CG1 3.66Å; L299-I318 HydrophobicContact CD2-CD1 4.22Å; L299-I318 HydrophobicContact CG-CD1 4.2Å; L299-I318 HydrophobicContact CG-CG1 4.39Å; L299-R320 HydrophobicContact CD1-CB 4.42Å; L299-R320 HydrophobicContact CD1-CG 3.56Å; L299-G328 VanDerWaalsContact CD2-N 3.31Å; L299-N331 PolarHBondContact O-ND2 3.44Å
300	L	95.3	Very high	87	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.8	175	-69	73.9	0	0	0	108.5	I237 L273 L278 I283 L284 V285 I318 E319 R321	I237-L300 HydrophobicContact CD1-CB 4.21Å; I237-L300 WeakPolarHBondContact CD1-O 3.24Å; I237-L300 HydrophobicContact CG2-CB 3.96Å; I237-L300 HydrophobicContact CG2-CD2 3.8Å; L273-L300 HydrophobicContact CD2-CD1 4.36Å; L273-L300 HydrophobicContact CD2-CD2 3.89Å; L273-L300 HydrophobicContact CD2-CG 4.4Å; L278-L300 HydrophobicContact CD2-CD2 4.37Å; I283-L300 HydrophobicContact CG2-CB 4.02Å; I283-L300 HydrophobicContact CG2-CD2 4.29Å; I283-L300 HydrophobicContact CG2-CG 4.4Å; L284-L300 CarbonylContact O-C 3.58Å; L284-L300 VanDerWaalsContact O-CA 3.26Å; L284-L300 WeakPolarHBondContact O-CA 3.4Å; V285-L300 HydrophobicContact CG1-CD1 4.34Å; V285-L300 HydrophobicContact CG1-CG 4.34Å; V285-L300 HydrophobicContact CG2-CG 4.15Å; L300-I318 WeakPolarHBondContact O-CA 3.3Å; L300-E319 HydrophobicContact CB-CB 4.21Å; L300-E319 PolarHBondContact N-O 2.79Å; L300-E319 PolarHBondContact O-N 3.11Å; L300-R321 HydrophobicContact CD1-CG 4.05Å
301	Q	96.8	Very high	86.2	Confident	3 Å²	3	56.6 Å²	56.6	1%	0.014	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.5	-175.3	-64	170.3	-79.8	0	0	110.6	L284 L299 F303 E316 L317 I318 F327 N331	L284-Q301 PolarHBondContact N-O 3Å; L284-Q301 PolarHBondContact O-N 3.38Å; L299-Q301 HydrophobicContact CD2-CG 4.16Å; L299-Q301 HydrophobicContact CG-CG 3.98Å; Q301-F303 HydrophobicContact CB-CE2 3.85Å; Q301-F303 HydrophobicContact CB-CZ 4Å; Q301-E316 VanDerWaalsContact CG-OE1 3.28Å; Q301-E316 WeakPolarHBondContact CG-OE1 3.45Å; Q301-E316 PolarHBondContact NE2-OE1 2.75Å; Q301-L317 WeakPolarHBondContact CA-O 3.24Å; Q301-I318 HydrophobicContact CG-CD1 4.33Å; Q301-I318 HydrophobicContact CG-CG1 4.3Å; Q301-F327 PolarHBondContact NE2-O 3.34Å; Q301-N331 VanDerWaalsContact OE1-CB 3.28Å; Q301-N331 PolarHBondContact OE1-ND2 3.29Å
302	I	95.8	Very high	86	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139.8	165.9	-169.4	-178.7	0	0	0	109.1	I237 A241 F251 S281 I283 E316 L317	I237-I302 HydrophobicContact CD1-CG2 4.03Å; I237-I302 HydrophobicContact CG1-CG2 4.07Å; A241-I302 HydrophobicContact CB-CD1 4.02Å; A241-I302 HydrophobicContact CB-CG2 4.41Å; F251-I302 HydrophobicContact CB-CD1 3.79Å; F251-I302 HydrophobicContact CB-CG1 4.03Å; F251-I302 HydrophobicContact CD1-CB 4.42Å; F251-I302 HydrophobicContact CD1-CD1 3.53Å; F251-I302 HydrophobicContact CD1-CG1 3.54Å; F251-I302 HydrophobicContact CD1-CG2 4.22Å; F251-I302 HydrophobicContact CD2-CD1 3.96Å; F251-I302 HydrophobicContact CE1-CD1 4.01Å; F251-I302 HydrophobicContact CE1-CG1 4.15Å; F251-I302 HydrophobicContact CE1-CG2 3.97Å; F251-I302 HydrophobicContact CE2-CD1 4.4Å; F251-I302 HydrophobicContact CG-CD1 3.49Å; F251-I302 VanDerWaalsContact CG-CD1 3.49Å; F251-I302 HydrophobicContact CG-CG1 3.9Å; F251-I302 HydrophobicContact CZ-CD1 4.41Å; S281-I302 WeakPolarHBondContact O-CD1 3.41Å; I283-I302 HydrophobicContact CG1-CB 4.25Å; I283-I302 HydrophobicContact CG1-CD1 4.35Å; I302-E316 WeakPolarHBondContact O-CA 3.41Å; I302-L317 HydrophobicContact CG2-CB 3.75Å; I302-L317 HydrophobicContact CG2-CD1 4.07Å; I302-L317 HydrophobicContact CG2-CG 4.1Å; I302-L317 PolarHBondContact N-O 3.11Å; I302-L317 PolarHBondContact O-N 2.94Å
303	F	94.9	Very high	86.3	Confident	9 Å²	9	44.2 Å²	44.2	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.3	-171	-59.2	-87.3	0	0	0	110.3	F251 I252 L284 Q301 F314 E316 L335	F251-F303 CarbonylContact C-O 3.52Å; F251-F303 VanDerWaalsContact CA-O 3.32Å; F251-F303 WeakPolarHBondContact CA-O 3.38Å; F251-F303 WeakPolarHBondContact CD1-O 3.38Å; I252-F303 HydrophobicContact CD1-CB 4.13Å; I252-F303 PolarHBondContact N-O 2.92Å; L284-F303 HydrophobicContact CD1-CD2 4.37Å; L284-F303 HydrophobicContact CD1-CE2 4.09Å; Q301-F303 HydrophobicContact CB-CE2 3.85Å; Q301-F303 HydrophobicContact CB-CZ 4Å; F303-F314 HydrophobicContact CD1-CD2 4.1Å; F303-F314 AromaticContact CD1-CE2 3.66Å; F303-F314 HydrophobicContact CD1-CE2 3.66Å; F303-F314 HydrophobicContact CE1-CE2 4.27Å; F303-E316 HydrophobicContact CD1-CB 3.81Å; F303-E316 HydrophobicContact CD1-CG 3.87Å; F303-E316 HydrophobicContact CE1-CB 3.86Å; F303-E316 VanDerWaalsContact CE1-CD 3.46Å; F303-E316 HydrophobicContact CE1-CG 3.55Å; F303-E316 VanDerWaalsContact CE1-OE2 3.24Å; F303-E316 WeakPolarHBondContact CE1-OE2 3.36Å; F303-E316 HydrophobicContact CZ-CG 4.11Å; F303-L335 HydrophobicContact CB-CD1 4.16Å; F303-L335 HydrophobicContact CD1-CD2 4.09Å; F303-L335 HydrophobicContact CD2-CD1 3.73Å; F303-L335 HydrophobicContact CD2-CD2 3.8Å; F303-L335 HydrophobicContact CD2-CG 4.29Å; F303-L335 HydrophobicContact CE1-CD2 4.2Å; F303-L335 HydrophobicContact CE2-CD1 4.43Å; F303-L335 HydrophobicContact CE2-CD2 3.95Å; F303-L335 HydrophobicContact CG-CD1 4.08Å; F303-L335 HydrophobicContact CG-CD2 3.86Å; F303-L335 HydrophobicContact CZ-CD2 4.14Å
304	T	94.1	Very high	86.7	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.025	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-67.3	156.5	173.2	70.9	0	0	0	0	110	I249 K250 F251 I252 L307 M315	I249-T304 HydrophobicContact CG2-CG2 3.77Å; K250-T304 CarbonylContact O-C 3.45Å; K250-T304 WeakPolarHBondContact O-CA 3.3Å; F251-T304 HydrophobicContact CD1-CG2 4.09Å; F251-T304 HydrophobicContact CE1-CG2 3.84Å; I252-T304 WeakPolarHBondContact CD1-O 3.35Å; T304-L307 HydrophobicContact CG2-CD2 4.46Å; T304-M315 HydrophobicContact CG2-CB 3.99Å; T304-M315 PolarHBondContact N-O 3.3Å; T304-M315 PolarHBondContact OG1-N 3.08Å; T304-M315 PolarHBondContact OG1-O 2.99Å
305	E	90.4	Very high	87.2	Confident	84 Å²	84	40.9 Å²	40.9	39%	0.393	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-58.2	159.9	156.1	-69.7	-179	-179.4	0	0	109.5	K250 I252 L307	K250-E305 HydrophobicContact CB-CB 4.3Å; K250-E305 HydrophobicContact CB-CG 4.01Å; K250-E305 WeakPolarHBondContact CB-OE2 3.18Å; K250-E305 VanDerWaalsContact CD-OE2 3.24Å; K250-E305 WeakPolarHBondContact CD-OE2 2.84Å; K250-E305 PolarHBondContact O-N 3.07Å; I252-E305 HydrophobicContact CG1-CG 4.42Å; E305-L307 PolarHBondContact O-N 3.47Å
306	P	87.9	Confident	87.7	Confident	79 Å²	79	38.7 Å²	38.7	51%	0.513	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-51.2	127	171.7	-27.1	35.6	0	0	0	111.1	F313	P306-F313 CarbonylContact C-O 3.51Å; P306-F313 WeakPolarHBondContact CA-O 3.41Å
307	L	88.7	Confident	88.3	Confident	67 Å²	67	37.1 Å²	37.1	35%	0.351	19%	0.186	S	C	.	.	S	Bend	trans	-82.9	-20.1	-173.8	-62.2	175.3	0	0	0	112.5	T304 E305 F313 M315	T304-L307 HydrophobicContact CG2-CD2 4.46Å; E305-L307 PolarHBondContact O-N 3.47Å; L307-F313 HydrophobicContact CD1-CD1 4.12Å; L307-F313 HydrophobicContact CD1-CE1 4Å; L307-F313 PolarHBondContact N-O 2.93Å; L307-M315 HydrophobicContact CD1-CB 4.29Å; L307-M315 HydrophobicContact CD1-CE 3.4Å; L307-M315 HydrophobicContact CD1-CG 3.72Å; L307-M315 HydrophobicContact CD1-SD 4.27Å
308	F	83.3	Confident	88.7	Confident	76 Å²	76	37.2 Å²	37.2	33%	0.333	19%	0.186	S	C	.	.	S	Bend	trans	-124.3	150.3	-179.6	-55.7	-91.5	0	0	0	110.3	D29 P31 F313	D29-F308 WeakPolarHBondContact O-CB 3.42Å; D29-F308 WeakPolarHBondContact O-CG 3.35Å; P31-F308 HydrophobicContact CG-CE2 4Å; P31-F308 HydrophobicContact CG-CZ 4.44Å; F308-F313 HydrophobicContact CD2-CB 4.06Å; F308-F313 AromaticContact CD2-CD1 3.93Å; F308-F313 HydrophobicContact CD2-CD1 3.93Å; F308-F313 HydrophobicContact CD2-CG 4.42Å; F308-F313 AromaticContact CE2-CD1 3.64Å; F308-F313 HydrophobicContact CE2-CD1 3.64Å; F308-F313 HydrophobicContact CE2-CE1 4.3Å; F308-F313 HydrophobicContact CE2-CG 4.4Å
309	Q	71.6	Confident	89	Confident	185 Å²	185	37.8 Å²	37.8	86%	0.864	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-37.8	-176.4	-79.3	-172.9	-8.2	0	0	112.5
310	K	69.2	Low	89	Confident	135 Å²	135	38.7 Å²	38.7	59%	0.587	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-15.2	-168.7	-68.1	-173.8	178.6	178.6	0	116.3	D29 V221	D29-K310 HydrophobicContact CB-CB 4.16Å; D29-K310 HydrophobicContact CB-CD 4.37Å; D29-K310 PolarHBondContact OD2-N 3.23Å; V221-K310 CarbonylContact C-O 3.54Å; V221-K310 VanDerWaalsContact C-O 3.29Å; V221-K310 VanDerWaalsContact CG1-C 3.46Å; V221-K310 WeakPolarHBondContact CG1-O 3.18Å
311	D	65.3	Low	88.8	Confident	22 Å²	22	41.4 Å²	41.4	12%	0.118	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-4.5	-169.7	-67.4	4.5	0	0	0	112.4	D29 G30 F218 F313	D29-D311 VanDerWaalsContact C-CG 3.44Å; D29-D311 WeakPolarHBondContact O-CB 3.41Å; G30-D311 WeakPolarHBondContact CA-OD2 3.19Å; G30-D311 PolarHBondContact N-OD2 2.93Å; F218-D311 WeakPolarHBondContact CD2-O 3.42Å; F218-D311 WeakPolarHBondContact CE2-O 3.5Å; D311-F313 PolarHBondContact O-N 3.24Å
312	G	79.3	Confident	88.3	Confident	19 Å²	19	46 Å²	46	20%	0.196	23%	0.227	C	C	.	.			trans	63.6	3.1	177.6	0	0	0	0	0	114.6
313	F	90.1	Very high	87.7	Confident	12 Å²	12	51.3 Å²	51.3	5%	0.053	25%	0.252	C	S	.	.			trans	-63.8	133.9	-177.9	175.1	-91.8	0	0	0	111.4	P31 L227 Q228 M230 P306 L307 F308 D311 M315	P31-F313 HydrophobicContact CG-CB 4.41Å; P31-F313 HydrophobicContact CG-CD1 3.66Å; P31-F313 HydrophobicContact CG-CD2 3.77Å; P31-F313 HydrophobicContact CG-CE1 3.73Å; P31-F313 HydrophobicContact CG-CE2 3.85Å; P31-F313 HydrophobicContact CG-CG 3.66Å; P31-F313 HydrophobicContact CG-CZ 3.83Å; L227-F313 HydrophobicContact CD1-CE2 4.35Å; L227-F313 HydrophobicContact CD2-CD2 4.31Å; L227-F313 HydrophobicContact CD2-CE2 3.86Å; L227-F313 HydrophobicContact CG-CD2 3.94Å; L227-F313 HydrophobicContact CG-CE2 3.76Å; Q228-F313 WeakPolarHBondContact O-CA 3.48Å; Q228-F313 WeakPolarHBondContact O-CD2 3.41Å; M230-F313 HydrophobicContact CB-CE2 4.31Å; M230-F313 HydrophobicContact CB-CZ 4.03Å; P306-F313 CarbonylContact C-O 3.51Å; P306-F313 WeakPolarHBondContact CA-O 3.41Å; L307-F313 HydrophobicContact CD1-CD1 4.12Å; L307-F313 HydrophobicContact CD1-CE1 4Å; L307-F313 PolarHBondContact N-O 2.93Å; F308-F313 HydrophobicContact CD2-CB 4.06Å; F308-F313 AromaticContact CD2-CD1 3.93Å; F308-F313 HydrophobicContact CD2-CD1 3.93Å; F308-F313 HydrophobicContact CD2-CG 4.42Å; F308-F313 AromaticContact CE2-CD1 3.64Å; F308-F313 HydrophobicContact CE2-CD1 3.64Å; F308-F313 HydrophobicContact CE2-CE1 4.3Å; F308-F313 HydrophobicContact CE2-CG 4.4Å; D311-F313 PolarHBondContact O-N 3.24Å; F313-M315 HydrophobicContact CE1-CG 3.97Å; F313-M315 HydrophobicContact CZ-CG 4.21Å
314	F	92.4	Very high	87.2	Confident	8 Å²	8	50.9 Å²	50.9	4%	0.035	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	164.8	175.3	61.3	-88.7	0	0	0	110.5	Q228 H229 M230 F303	Q228-F314 HydrophobicContact CG-CE1 3.93Å; Q228-F314 HydrophobicContact CG-CZ 4.48Å; Q228-F314 PolarHBondContact O-N 3.26Å; H229-F314 WeakPolarHBondContact CA-O 3.37Å; H229-F314 HydrophobicContact CB-CD1 4.16Å; H229-F314 HydrophobicContact CB-CD2 3.59Å; H229-F314 HydrophobicContact CB-CE1 3.98Å; H229-F314 HydrophobicContact CB-CE2 3.36Å; H229-F314 HydrophobicContact CB-CG 3.98Å; H229-F314 HydrophobicContact CB-CZ 3.59Å; H229-F314 WeakPolarHBondContact CB-O 3.18Å; H229-F314 AromaticContact CG-CE2 3.45Å; H229-F314 VanDerWaalsContact CG-CE2 3.45Å; H229-F314 AromaticContact CG-CZ 3.53Å; H229-F314 AromaticContact ND1-CE2 3.67Å; H229-F314 AromaticContact ND1-CZ 3.27Å; H229-F314 VanDerWaalsContact ND1-CZ 3.27Å; H229-F314 WeakPolarHBondContact ND1-CZ 3.47Å; M230-F314 PolarHBondContact N-O 3.13Å; F303-F314 HydrophobicContact CD1-CD2 4.1Å; F303-F314 AromaticContact CD1-CE2 3.66Å; F303-F314 HydrophobicContact CD1-CE2 3.66Å; F303-F314 HydrophobicContact CE1-CE2 4.27Å
315	M	95.3	Very high	86.7	Confident	57 Å²	57	52.2 Å²	52.2	28%	0.281	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.3	171.2	-73.1	-169.4	-78.3	0	0	110.2	L232 T304 L307 F313	L232-M315 HydrophobicContact CD1-SD 3.99Å; T304-M315 HydrophobicContact CG2-CB 3.99Å; T304-M315 PolarHBondContact N-O 3.3Å; T304-M315 PolarHBondContact OG1-N 3.08Å; T304-M315 PolarHBondContact OG1-O 2.99Å; L307-M315 HydrophobicContact CD1-CB 4.29Å; L307-M315 HydrophobicContact CD1-CE 3.4Å; L307-M315 HydrophobicContact CD1-CG 3.72Å; L307-M315 HydrophobicContact CD1-SD 4.27Å; F313-M315 HydrophobicContact CE1-CG 3.97Å; F313-M315 HydrophobicContact CZ-CG 4.21Å
316	E	96	Very high	86.5	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.019	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.6	171	175.3	-172.4	158.3	0	0	108.6	H132 H229 M230 G231 L232 Q301 I302 F303 I318	H132-E316 IonicContact CE1-OE1 3.57Å; H132-E316 IonicContact CE1-OE2 3.37Å; H132-E316 PolarHBondContact CE1-OE2 3.05Å; H132-E316 VanDerWaalsContact CE1-OE2 3.32Å; H132-E316 IonicContact NE2-OE2 2.68Å; H132-E316 PolarHBondContact NE2-OE2 2.84Å; H229-E316 IonicContact CD2-OE2 3.25Å; H229-E316 IonicContact NE2-OE2 3.21Å; M230-E316 PolarHBondContact O-N 3.3Å; G231-E316 CarbonylContact C-O 3.29Å; G231-E316 WeakPolarHBondContact CA-O 3.27Å; L232-E316 PolarHBondContact N-O 2.96Å; Q301-E316 VanDerWaalsContact CG-OE1 3.28Å; Q301-E316 WeakPolarHBondContact CG-OE1 3.45Å; Q301-E316 PolarHBondContact NE2-OE1 2.75Å; I302-E316 WeakPolarHBondContact O-CA 3.41Å; F303-E316 HydrophobicContact CD1-CB 3.81Å; F303-E316 HydrophobicContact CD1-CG 3.87Å; F303-E316 HydrophobicContact CE1-CB 3.86Å; F303-E316 VanDerWaalsContact CE1-CD 3.46Å; F303-E316 HydrophobicContact CE1-CG 3.55Å; F303-E316 VanDerWaalsContact CE1-OE2 3.24Å; F303-E316 WeakPolarHBondContact CE1-OE2 3.36Å; F303-E316 HydrophobicContact CZ-CG 4.11Å; E316-I318 HydrophobicContact CG-CB 4.44Å; E316-I318 WeakPolarHBondContact OE1-CD1 3.3Å
317	L	97.1	Very high	86.3	Confident	11 Å²	11	45.7 Å²	45.7	6%	0.058	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.2	163.4	-50	-177	0	0	0	107.8	L232 I234 I237 A240 F251 Q301 I302	L232-L317 HydrophobicContact CB-CD2 4.17Å; L232-L317 HydrophobicContact CD1-CD2 4.13Å; I234-L317 HydrophobicContact CD1-CD2 4.39Å; I234-L317 HydrophobicContact CG1-CB 4.01Å; I234-L317 HydrophobicContact CG1-CD2 4.37Å; I237-L317 HydrophobicContact CD1-CB 4.28Å; I237-L317 VanDerWaalsContact CD1-O 3.28Å; I237-L317 WeakPolarHBondContact CD1-O 3.48Å; I237-L317 HydrophobicContact CG1-CB 4.14Å; A240-L317 HydrophobicContact CB-CD1 4.39Å; F251-L317 HydrophobicContact CE1-CD1 4.15Å; F251-L317 HydrophobicContact CE1-CG 4.44Å; F251-L317 HydrophobicContact CZ-CD1 4.07Å; Q301-L317 WeakPolarHBondContact CA-O 3.24Å; I302-L317 HydrophobicContact CG2-CB 3.75Å; I302-L317 HydrophobicContact CG2-CD1 4.07Å; I302-L317 HydrophobicContact CG2-CG 4.1Å; I302-L317 PolarHBondContact N-O 3.11Å; I302-L317 PolarHBondContact O-N 2.94Å
318	I	96.5	Very high	86.1	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.4	-173.3	-180	160.1	0	0	0	111	D131 L232 A233 I234 L299 L300 Q301 E316 R320	D131-I318 HydrophobicContact CB-CG2 3.56Å; L232-I318 WeakPolarHBondContact O-CG2 3.37Å; L232-I318 PolarHBondContact O-N 3.3Å; A233-I318 CarbonylContact C-O 3.54Å; A233-I318 WeakPolarHBondContact CA-O 3.33Å; I234-I318 PolarHBondContact N-O 3.29Å; L299-I318 HydrophobicContact CD1-CD1 3.58Å; L299-I318 HydrophobicContact CD1-CG1 3.66Å; L299-I318 HydrophobicContact CD2-CD1 4.22Å; L299-I318 HydrophobicContact CG-CD1 4.2Å; L299-I318 HydrophobicContact CG-CG1 4.39Å; L300-I318 WeakPolarHBondContact O-CA 3.3Å; Q301-I318 HydrophobicContact CG-CD1 4.33Å; Q301-I318 HydrophobicContact CG-CG1 4.3Å; E316-I318 HydrophobicContact CG-CB 4.44Å; E316-I318 WeakPolarHBondContact OE1-CD1 3.3Å; I318-R320 HydrophobicContact CG1-CG 4.2Å
319	E	95.4	Very high	86.1	Confident	13 Å²	13	41.7 Å²	41.7	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.4	172.7	176.9	-173.8	143.2	0	0	109.3	I234 N236 I237 L300 R321	I234-E319 WeakPolarHBondContact O-CA 3.36Å; I234-E319 VanDerWaalsContact O-CB 3.27Å; I234-E319 WeakPolarHBondContact O-CB 3.2Å; I234-E319 WeakPolarHBondContact O-CG 3.35Å; N236-E319 WeakPolarHBondContact CA-OE2 3Å; I237-E319 HydrophobicContact CB-CB 3.92Å; I237-E319 WeakPolarHBondContact CB-OE2 3.31Å; I237-E319 HydrophobicContact CD1-CB 4.48Å; I237-E319 HydrophobicContact CG2-CB 4.07Å; I237-E319 WeakPolarHBondContact CG2-OE2 3.34Å; I237-E319 PolarHBondContact N-OE2 2.95Å; L300-E319 HydrophobicContact CB-CB 4.21Å; L300-E319 PolarHBondContact N-O 2.79Å; L300-E319 PolarHBondContact O-N 3.11Å; E319-R321 HydrophobicContact CG-CG 4.36Å; E319-R321 IonicContact OE1-CZ 3.32Å; E319-R321 IonicContact OE1-NE 3.98Å; E319-R321 PolarHBondContact OE1-NE 2.95Å; E319-R321 IonicContact OE1-NH2 2.64Å; E319-R321 PolarHBondContact OE1-NH2 2.91Å; E319-R321 IonicContact OE2-NH2 3.26Å
320	R	93.6	Very high	86.5	Confident	22 Å²	22	35.5 Å²	35.5	8%	0.083	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	107.5	179	-64.3	-175	176.5	-81.9	-1.8	110.3	D131 R196 L299 I318 G326	D131-R320 IonicContact OD1-CZ 3.49Å; D131-R320 IonicContact OD1-NE 3.42Å; D131-R320 PolarHBondContact OD1-NE 3.05Å; D131-R320 IonicContact OD1-NH2 2.64Å; D131-R320 PolarHBondContact OD1-NH2 3.45Å; D131-R320 IonicContact OD2-CZ 3.94Å; D131-R320 IonicContact OD2-NE 3.38Å; D131-R320 PolarHBondContact OD2-NE 2.78Å; D131-R320 IonicContact OD2-NH2 3.37Å; R196-R320 HydrophobicContact CG-CB 4.41Å; L299-R320 HydrophobicContact CD1-CB 4.42Å; L299-R320 HydrophobicContact CD1-CG 3.56Å; I318-R320 HydrophobicContact CG1-CG 4.2Å; R320-G326 PolarHBondContact NH1-O 2.78Å; R320-G326 PolarHBondContact NH2-O 3.04Å
321	R	90.6	Very high	87.2	Confident	57 Å²	57	29.1 Å²	29.1	22%	0.215	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.5	176.4	-62.7	-174.4	179.3	-175.5	0.4	111.9	F271 L273 G297 S298 L300 E319 Q323 S324	F271-R321 PolarHBondContact O-NH1 3.04Å; L273-R321 VanDerWaalsContact CD2-NH1 3.28Å; G297-R321 WeakPolarHBondContact CA-O 3.41Å; S298-R321 PolarHBondContact N-O 2.62Å; S298-R321 PolarHBondContact O-N 3.45Å; L300-R321 HydrophobicContact CD1-CG 4.05Å; E319-R321 HydrophobicContact CG-CG 4.36Å; E319-R321 IonicContact OE1-CZ 3.32Å; E319-R321 IonicContact OE1-NE 3.98Å; E319-R321 PolarHBondContact OE1-NE 2.95Å; E319-R321 IonicContact OE1-NH2 2.64Å; E319-R321 PolarHBondContact OE1-NH2 2.91Å; E319-R321 IonicContact OE2-NH2 3.26Å; R321-Q323 PolarHBondContact O-N 3.03Å; R321-S324 WeakPolarHBondContact O-CB 3.38Å; R321-S324 PolarHBondContact O-N 2.99Å
322	N	86.7	Confident	87.8	Confident	99 Å²	99	29 Å²	29	53%	0.529	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.8	-126.4	179	-54.3	-47.6	0	0	0	112.4	I296 S324	I296-N322 WeakPolarHBondContact O-CB 3.34Å; N322-S324 VanDerWaalsContact C-N 3.34Å
323	Q	83.2	Confident	87.9	Confident	113 Å²	113	30 Å²	30	53%	0.528	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	18.6	-175.3	-54.2	-177.2	30	0	0	113.1	I296 R321 T325	I296-Q323 HydrophobicContact CB-CB 4.33Å; I296-Q323 WeakPolarHBondContact O-CB 3.33Å; I296-Q323 PolarHBondContact O-N 2.9Å; I296-Q323 VanDerWaalsContact O-N 3.13Å; R321-Q323 PolarHBondContact O-N 3.03Å; Q323-T325 PolarHBondContact O-N 3.12Å
324	S	84.3	Confident	87.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.			trans	-64.3	125.2	-175.5	-178.6	0	0	0	0	112.6	R196 E288 R321 N322	R196-S324 WeakPolarHBondContact CD-O 3.13Å; R196-S324 WeakPolarHBondContact CG-O 3.43Å; E288-S324 VanDerWaalsContact OE2-C 3.28Å; E288-S324 WeakPolarHBondContact OE2-CA 3.46Å; E288-S324 VanDerWaalsContact OE2-CB 3.28Å; E288-S324 WeakPolarHBondContact OE2-CB 3.4Å; E288-S324 PolarHBondContact OE2-OG 3.14Å; R321-S324 WeakPolarHBondContact O-CB 3.38Å; R321-S324 PolarHBondContact O-N 2.99Å; N322-S324 VanDerWaalsContact C-N 3.34Å
325	T	84.9	Confident	86.5	Confident	32 Å²	32	29.6 Å²	29.6	20%	0.196	15%	0.149	C	C	.	.			trans	-125.4	-11.3	179.3	51	0	0	0	0	113.6	Y195 E288 Q323	Y195-T325 HydrophobicContact CD1-CG2 3.64Å; Y195-T325 HydrophobicContact CD2-CG2 4.37Å; Y195-T325 HydrophobicContact CE1-CG2 4.29Å; Y195-T325 WeakPolarHBondContact CE1-O 3.26Å; Y195-T325 HydrophobicContact CG-CG2 3.7Å; Y195-T325 VanDerWaalsContact CZ-O 3.3Å; Y195-T325 PolarHBondContact OH-O 3.21Å; E288-T325 VanDerWaalsContact CD-N 3.25Å; E288-T325 PolarHBondContact OE1-N 2.85Å; E288-T325 PolarHBondContact OE1-OG1 3.2Å; E288-T325 PolarHBondContact OE2-N 2.97Å; Q323-T325 PolarHBondContact O-N 3.12Å
326	G	84.7	Confident	85.6	Confident	9 Å²	9	28 Å²	28	9%	0.093	14%	0.14	C	C	.	.	S	Bend	trans	-76	179	-179.6	0	0	0	0	0	114.1	E288 R320	E288-G326 PolarHBondContact OE1-N 3.47Å; E288-G326 PolarHBondContact OE2-N 3.13Å; R320-G326 PolarHBondContact NH1-O 2.78Å; R320-G326 PolarHBondContact NH2-O 3.04Å
327	F	85.1	Confident	84.5	Confident	16 Å²	16	31 Å²	31	7%	0.07	15%	0.154	C	C	.	.			trans	-110.9	11.7	-178.3	-79.6	-99	0	0	0	114.3	H132 I160 Y195 K200 V202 Q301	H132-F327 HydrophobicContact CB-CE1 3.97Å; H132-F327 HydrophobicContact CB-CZ 4.47Å; H132-F327 AromaticContact CG-CE1 3.74Å; H132-F327 AromaticContact ND1-CE1 3.8Å; I160-F327 HydrophobicContact CB-CD2 3.52Å; I160-F327 HydrophobicContact CB-CE2 3.76Å; I160-F327 HydrophobicContact CB-CG 4.48Å; I160-F327 HydrophobicContact CG2-CD2 3.62Å; I160-F327 HydrophobicContact CG2-CE2 3.31Å; I160-F327 HydrophobicContact CG2-CZ 4.13Å; Y195-F327 WeakPolarHBondContact OH-CE2 3.38Å; K200-F327 HydrophobicContact CB-CZ 4.2Å; K200-F327 HydrophobicContact CD-CZ 4.18Å; K200-F327 HydrophobicContact CG-CZ 4.18Å; V202-F327 HydrophobicContact CG2-CD1 4.24Å; V202-F327 HydrophobicContact CG2-CE1 3.42Å; V202-F327 VanDerWaalsContact CG2-CE1 3.42Å; V202-F327 HydrophobicContact CG2-CZ 3.66Å; Q301-F327 PolarHBondContact NE2-O 3.34Å
328	G	84.1	Confident	83.4	Confident	4 Å²	4	30.8 Å²	30.8	4%	0.041	15%	0.154	C	C	.	.			trans	73.7	53.8	173.6	0	0	0	0	0	113.6	D286 L299 N330 N331 I332	D286-G328 WeakPolarHBondContact OD2-CA 3.4Å; L299-G328 VanDerWaalsContact CD2-N 3.31Å; G328-N330 PolarHBondContact O-N 3.4Å; G328-N330 VanDerWaalsContact O-N 3.1Å; G328-N331 WeakPolarHBondContact O-CA 3.41Å; G328-N331 WeakPolarHBondContact O-CB 3.31Å; G328-N331 PolarHBondContact O-N 3.05Å; G328-I332 WeakPolarHBondContact O-CG1 3.23Å; G328-I332 PolarHBondContact O-N 3.04Å
329	E	82.2	Confident	82.1	Confident	55 Å²	55	32 Å²	32	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-50.9	-37	-179	70.8	-174	-160.6	0	0	112.8	N161 F170 D286 N333	N161-E329 PolarHBondContact ND2-OE2 3.23Å; F170-E329 HydrophobicContact CE1-CB 4.09Å; F170-E329 HydrophobicContact CZ-CB 3.98Å; F170-E329 WeakPolarHBondContact CZ-OE2 3.41Å; D286-E329 PolarHBondContact OD2-N 3.11Å; E329-N333 PolarHBondContact O-N 3.33Å; E329-N333 VanDerWaalsContact O-N 3.16Å; E329-N333 PolarHBondContact O-ND2 2.85Å
330	N	80.1	Confident	80.8	Confident	56 Å²	56	34.7 Å²	34.7	30%	0.299	17%	0.173	S	C	.	.	H	α-helix	trans	-78.5	-28.4	-179.5	-61.8	-62.7	0	0	0	112	D286 G328 A334	D286-N330 WeakPolarHBondContact OD1-CB 3.08Å; D286-N330 PolarHBondContact OD1-ND2 3.45Å; D286-N330 PolarHBondContact OD2-N 2.85Å; D286-N330 PolarHBondContact OD2-ND2 3.39Å; G328-N330 PolarHBondContact O-N 3.4Å; G328-N330 VanDerWaalsContact O-N 3.1Å; N330-A334 PolarHBondContact O-N 3.3Å; N330-A334 VanDerWaalsContact O-N 3.16Å
331	N	83.7	Confident	79.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.5	-41.2	172.9	-72.7	-14.2	0	0	0	110.7	Y258 L284 V285 D286 L299 Q301 G328 N333 A334 L335	Y258-N331 PolarHBondContact OH-OD1 2.81Å; L284-N331 HydrophobicContact CB-CB 4.01Å; L284-N331 WeakPolarHBondContact CB-OD1 3.28Å; L284-N331 HydrophobicContact CD1-CB 4.16Å; V285-N331 PolarHBondContact N-OD1 3.44Å; V285-N331 PolarHBondContact O-OD1 3.04Å; V285-N331 VanDerWaalsContact O-OD1 3.08Å; D286-N331 PolarHBondContact N-ND2 2.96Å; D286-N331 PolarHBondContact N-OD1 2.71Å; L299-N331 PolarHBondContact O-ND2 3.44Å; Q301-N331 VanDerWaalsContact OE1-CB 3.28Å; Q301-N331 PolarHBondContact OE1-ND2 3.29Å; G328-N331 WeakPolarHBondContact O-CA 3.41Å; G328-N331 WeakPolarHBondContact O-CB 3.31Å; G328-N331 PolarHBondContact O-N 3.05Å; N331-N333 PolarHBondContact O-N 3.42Å; N331-A334 PolarHBondContact O-N 3.24Å; N331-L335 WeakPolarHBondContact O-CB 3.45Å; N331-L335 PolarHBondContact O-N 3.03Å
332	I	79.5	Confident	77.5	Confident	21 Å²	21	37.9 Å²	37.9	11%	0.108	20%	0.2	C	C	.	.	H	α-helix	trans	-56.7	-49	173.9	-71.3	170.7	0	0	0	110.4	V172 M179 G328 A334 L335 W336	V172-I332 HydrophobicContact CG1-CG2 4.23Å; M179-I332 HydrophobicContact CE-CD1 3.9Å; M179-I332 HydrophobicContact CE-CG2 3.42Å; M179-I332 VanDerWaalsContact CE-CG2 3.42Å; G328-I332 WeakPolarHBondContact O-CG1 3.23Å; G328-I332 PolarHBondContact O-N 3.04Å; I332-A334 VanDerWaalsContact C-N 3.32Å; I332-A334 PolarHBondContact O-N 3.39Å; I332-L335 WeakPolarHBondContact O-CB 3.31Å; I332-L335 PolarHBondContact O-N 2.92Å; I332-W336 HydrophobicContact CG2-CD2 3.79Å; I332-W336 HydrophobicContact CG2-CE3 4.12Å; I332-W336 HydrophobicContact CG2-CH2 3.61Å; I332-W336 HydrophobicContact CG2-CZ2 3.17Å; I332-W336 HydrophobicContact CG2-CZ3 4.04Å; I332-W336 PolarHBondContact O-N 3.09Å
333	N	79.7	Confident	75.9	Confident	38 Å²	38	38 Å²	38	20%	0.203	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-41.3	176.6	-73.2	-29.4	0	0	0	113	F174 E329 N331 W336 E337	F174-N333 HydrophobicContact CD2-CB 4.21Å; E329-N333 PolarHBondContact O-N 3.33Å; E329-N333 VanDerWaalsContact O-N 3.16Å; E329-N333 PolarHBondContact O-ND2 2.85Å; N331-N333 PolarHBondContact O-N 3.42Å; N333-W336 HydrophobicContact CB-CE3 4.43Å; N333-W336 WeakPolarHBondContact O-CB 3.16Å; N333-W336 PolarHBondContact O-N 2.63Å; N333-W336 WeakPolarHBondContact OD1-CZ3 3.36Å; N333-E337 PolarHBondContact O-N 2.86Å; N333-E337 VanDerWaalsContact O-N 3.11Å
334	A	77.2	Confident	73.7	Confident	4 Å²	4	38.4 Å²	38.4	3%	0.033	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-39.1	177.6	0	0	0	0	0	112.8	Y258 N330 N331 I332 W336 E337 A338	Y258-A334 HydrophobicContact CD2-CB 3.23Å; Y258-A334 HydrophobicContact CE2-CB 3.36Å; Y258-A334 HydrophobicContact CG-CB 4.2Å; N330-A334 PolarHBondContact O-N 3.3Å; N330-A334 VanDerWaalsContact O-N 3.16Å; N331-A334 PolarHBondContact O-N 3.24Å; I332-A334 VanDerWaalsContact C-N 3.32Å; I332-A334 PolarHBondContact O-N 3.39Å; A334-W336 VanDerWaalsContact C-N 3.28Å; A334-W336 PolarHBondContact O-N 3.2Å; A334-E337 PolarHBondContact O-N 2.96Å; A334-A338 PolarHBondContact O-N 3.24Å; A334-A338 VanDerWaalsContact O-N 3.11Å
335	L	77	Confident	71	Confident	9 Å²	9	47.9 Å²	47.9	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-40.3	173.9	-176	69.2	0	0	0	110.8	I252 L284 F303 N331 I332 A338 L339	I252-L335 HydrophobicContact CB-CD1 4.1Å; I252-L335 HydrophobicContact CD1-CD1 3.97Å; I252-L335 HydrophobicContact CG2-CD1 3.73Å; L284-L335 HydrophobicContact CD1-CB 4.33Å; F303-L335 HydrophobicContact CB-CD1 4.16Å; F303-L335 HydrophobicContact CD1-CD2 4.09Å; F303-L335 HydrophobicContact CD2-CD1 3.73Å; F303-L335 HydrophobicContact CD2-CD2 3.8Å; F303-L335 HydrophobicContact CD2-CG 4.29Å; F303-L335 HydrophobicContact CE1-CD2 4.2Å; F303-L335 HydrophobicContact CE2-CD1 4.43Å; F303-L335 HydrophobicContact CE2-CD2 3.95Å; F303-L335 HydrophobicContact CG-CD1 4.08Å; F303-L335 HydrophobicContact CG-CD2 3.86Å; F303-L335 HydrophobicContact CZ-CD2 4.14Å; N331-L335 WeakPolarHBondContact O-CB 3.45Å; N331-L335 PolarHBondContact O-N 3.03Å; I332-L335 WeakPolarHBondContact O-CB 3.31Å; I332-L335 PolarHBondContact O-N 2.92Å; L335-A338 WeakPolarHBondContact O-CB 3.48Å; L335-A338 PolarHBondContact O-N 2.87Å; L335-L339 HydrophobicContact CG-CD1 4.14Å; L335-L339 WeakPolarHBondContact O-CG 3.47Å; L335-L339 PolarHBondContact O-N 2.88Å
336	W	75.6	Confident	70.3	Confident	23 Å²	23	48.7 Å²	48.7	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-43.6	177.4	-63.2	-22.6	0	0	0	112.9	V172 F174 M179 I332 N333 A334 A338 L339 E340	V172-W336 HydrophobicContact CB-CH2 3.77Å; V172-W336 HydrophobicContact CB-CZ3 4.39Å; V172-W336 HydrophobicContact CG1-CH2 3.35Å; V172-W336 HydrophobicContact CG1-CZ2 4.39Å; V172-W336 HydrophobicContact CG1-CZ3 3.55Å; F174-W336 HydrophobicContact CB-CD2 4.37Å; F174-W336 HydrophobicContact CB-CE3 3.2Å; F174-W336 HydrophobicContact CB-CZ3 3.4Å; F174-W336 VanDerWaalsContact CB-CZ3 3.4Å; F174-W336 HydrophobicContact CD1-CB 4.15Å; F174-W336 HydrophobicContact CD1-CE3 4.37Å; F174-W336 HydrophobicContact CD2-CE3 4.49Å; F174-W336 HydrophobicContact CE1-CB 4.38Å; F174-W336 AromaticContact CG-CE3 3.83Å; F174-W336 HydrophobicContact CG-CE3 3.83Å; F174-W336 HydrophobicContact CG-CZ3 4.47Å; M179-W336 HydrophobicContact CE-CH2 3.89Å; M179-W336 HydrophobicContact CE-CZ2 3.3Å; M179-W336 HydrophobicContact CG-CH2 3.99Å; M179-W336 HydrophobicContact CG-CZ2 3.83Å; M179-W336 HydrophobicContact SD-CH2 4.33Å; M179-W336 HydrophobicContact SD-CZ2 3.6Å; I332-W336 HydrophobicContact CG2-CD2 3.79Å; I332-W336 HydrophobicContact CG2-CE3 4.12Å; I332-W336 HydrophobicContact CG2-CH2 3.61Å; I332-W336 HydrophobicContact CG2-CZ2 3.17Å; I332-W336 HydrophobicContact CG2-CZ3 4.04Å; I332-W336 PolarHBondContact O-N 3.09Å; N333-W336 HydrophobicContact CB-CE3 4.43Å; N333-W336 WeakPolarHBondContact O-CB 3.16Å; N333-W336 PolarHBondContact O-N 2.63Å; N333-W336 WeakPolarHBondContact OD1-CZ3 3.36Å; A334-W336 VanDerWaalsContact C-N 3.28Å; A334-W336 PolarHBondContact O-N 3.2Å; W336-A338 PolarHBondContact O-N 3.15Å; W336-L339 PolarHBondContact O-N 3.1Å; W336-E340 PolarHBondContact O-N 3.49Å
337	E	74.1	Confident	69.5	Low	67 Å²	67	50.7 Å²	50.7	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-58.5	-40.9	174.2	-169.7	169.1	-152.6	0	0	111.3	F174 P255 N333 A334 I341	F174-E337 HydrophobicContact CE2-CB 4.43Å; F174-E337 HydrophobicContact CZ-CB 3.81Å; F174-E337 HydrophobicContact CZ-CG 4.26Å; P255-E337 HydrophobicContact CG-CG 4.38Å; N333-E337 PolarHBondContact O-N 2.86Å; N333-E337 VanDerWaalsContact O-N 3.11Å; A334-E337 PolarHBondContact O-N 2.96Å; E337-I341 HydrophobicContact CG-CD1 4.24Å; E337-I341 WeakPolarHBondContact O-CD1 2.99Å; E337-I341 VanDerWaalsContact O-CG1 3.25Å; E337-I341 WeakPolarHBondContact O-CG1 3.02Å; E337-I341 PolarHBondContact O-N 2.89Å
338	A	72.4	Confident	68.6	Low	7 Å²	7	52.7 Å²	52.7	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-47	176.8	0	0	0	0	0	113	I252 A334 L335 W336 I341 S342	I252-A338 HydrophobicContact CG2-CB 4.33Å; A334-A338 PolarHBondContact O-N 3.24Å; A334-A338 VanDerWaalsContact O-N 3.11Å; L335-A338 WeakPolarHBondContact O-CB 3.48Å; L335-A338 PolarHBondContact O-N 2.87Å; W336-A338 PolarHBondContact O-N 3.15Å; A338-I341 PolarHBondContact O-N 3.01Å; A338-S342 PolarHBondContact O-N 2.76Å; A338-S342 VanDerWaalsContact O-N 3.11Å
339	L	70.5	Confident	67.7	Low	28 Å²	28	55.5 Å²	55.5	15%	0.147	29%	0.294	C	S	.	.	H	α-helix	trans	-68.4	-34.7	-178.2	-75.2	173.5	0	0	0	112.9	Q214 I252 L335 W336 S342 Q343	Q214-L339 HydrophobicContact CG-CD1 4.49Å; I252-L339 HydrophobicContact CD1-CD2 3.89Å; I252-L339 HydrophobicContact CD1-CG 4.47Å; I252-L339 HydrophobicContact CG1-CD2 4.36Å; I252-L339 HydrophobicContact CG2-CD2 4.26Å; I252-L339 HydrophobicContact CG2-CG 4.5Å; L335-L339 HydrophobicContact CG-CD1 4.14Å; L335-L339 WeakPolarHBondContact O-CG 3.47Å; L335-L339 PolarHBondContact O-N 2.88Å; W336-L339 PolarHBondContact O-N 3.1Å; L339-S342 PolarHBondContact O-OG 3.05Å; L339-S342 VanDerWaalsContact O-OG 3.11Å; L339-Q343 VanDerWaalsContact O-CD 3.24Å; L339-Q343 WeakPolarHBondContact O-CG 3.23Å; L339-Q343 PolarHBondContact O-N 3.01Å; L339-Q343 PolarHBondContact O-NE2 2.76Å; L339-Q343 VanDerWaalsContact O-NE2 3.17Å
340	E	67.1	Low	66.8	Low	68 Å²	68	55.6 Å²	55.6	32%	0.318	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-45.2	173.5	-78	-176.3	173.1	0	0	111	K175 W336 S342 Q343 T344	K175-E340 IonicContact NZ-OE2 2.6Å; K175-E340 PolarHBondContact NZ-OE2 2.84Å; W336-E340 PolarHBondContact O-N 3.49Å; E340-S342 PolarHBondContact O-N 3.35Å; E340-Q343 PolarHBondContact O-N 2.8Å; E340-T344 PolarHBondContact O-N 3.5Å; E340-T344 PolarHBondContact O-OG1 2.72Å
341	I	59.3	Low	65.9	Low	79 Å²	79	55.5 Å²	55.5	41%	0.405	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-46.4	-179.3	-67.1	165.2	0	0	0	110.8	P255 E337 A338 Q343 T344	P255-I341 HydrophobicContact CB-CD1 4.15Å; P255-I341 HydrophobicContact CG-CD1 4.31Å; E337-I341 HydrophobicContact CG-CD1 4.24Å; E337-I341 WeakPolarHBondContact O-CD1 2.99Å; E337-I341 VanDerWaalsContact O-CG1 3.25Å; E337-I341 WeakPolarHBondContact O-CG1 3.02Å; E337-I341 PolarHBondContact O-N 2.89Å; A338-I341 PolarHBondContact O-N 3.01Å; I341-Q343 PolarHBondContact O-N 3.07Å; I341-T344 PolarHBondContact O-N 3.35Å; I341-T344 PolarHBondContact O-OG1 3.43Å
342	S	56.4	Low	64.7	Low	67 Å²	67	59.5 Å²	59.5	47%	0.469	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-21.2	-178.8	70.3	0	0	0	0	113.6	A338 L339 E340	A338-S342 PolarHBondContact O-N 2.76Å; A338-S342 VanDerWaalsContact O-N 3.11Å; L339-S342 PolarHBondContact O-OG 3.05Å; L339-S342 VanDerWaalsContact O-OG 3.11Å; E340-S342 PolarHBondContact O-N 3.35Å
343	Q	53.3	Low	63.5	Low	103 Å²	103	62.5 Å²	62.5	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-89.7	-18.2	179.8	-69.8	170.6	38.6	0	0	113.2	L339 E340 I341	L339-Q343 VanDerWaalsContact O-CD 3.24Å; L339-Q343 WeakPolarHBondContact O-CG 3.23Å; L339-Q343 PolarHBondContact O-N 3.01Å; L339-Q343 PolarHBondContact O-NE2 2.76Å; L339-Q343 VanDerWaalsContact O-NE2 3.17Å; E340-Q343 PolarHBondContact O-N 2.8Å; I341-Q343 PolarHBondContact O-N 3.07Å
344	T	36.2	Very low	62.2	Low	121 Å²	121	64.5 Å²	64.5	74%	0.742	35%	0.345	S	S	*	.	H	α-helix	trans	-83.9	-11	173.9	49.5	0	0	0	0	114.1	E340 I341	E340-T344 PolarHBondContact O-N 3.5Å; E340-T344 PolarHBondContact O-OG1 2.72Å; I341-T344 PolarHBondContact O-N 3.35Å; I341-T344 PolarHBondContact O-OG1 3.43Å
345	L	26.9	Very low	60.8	Low	198 Å²	198	70 Å²	70	100%	1.037	37%	0.373	S	S	*	.			trans	-97.9	0	173.8	-68.6	168.1	0	0	0	110.1

Retrieved 345 of 345 residues in 76.2 ms (Link to these results)

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