A0A3Q0KS92_SCHMA Loading...

DDB1-and CUL4-associated factor 4

AlphaFold DB , UniProt , Accession A0A3Q0KS92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 489 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	33.7	Very low	47.4	Very low	241 Å²	241	112.5 Å²	112.5	100%	1.187	56%	0.564	S	S	*	*				0	109.9	0	-142.8	172.6	-173.2	0	0	106.3
2	W	31	Very low	48.6	Very low	200 Å²	200	109.2 Å²	109.2	76%	0.758	54%	0.54	S	S	*	.			trans	-62.8	143.8	-174.1	-67.4	63.2	0	0	0	109.9	D6	W2-D6 HydrophobicContact CE3-CB 3.79Å; W2-D6 HydrophobicContact CZ3-CB 4.45Å
3	K	37.5	Very low	49.9	Very low	151 Å²	151	103 Å²	103	66%	0.657	51%	0.511	S	S	*	.			trans	-70.3	149.1	174.7	-75.7	-176.5	179.3	178.7	0	108.7	S5 D6	K3-S5 PolarHBondContact O-N 3.19Å; K3-D6 PolarHBondContact O-N 2.95Å
4	P	44.3	Very low	51.4	Low	78 Å²	78	106.5 Å²	106.5	51%	0.506	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-17.5	-176.4	-28.2	34.9	0	0	0	115.7	D6 Y19	P4-D6 VanDerWaalsContact C-N 3.32Å; P4-Y19 VanDerWaalsContact C-OH 3.3Å; P4-Y19 WeakPolarHBondContact CA-OH 3.49Å; P4-Y19 WeakPolarHBondContact CB-OH 3.41Å; P4-Y19 WeakPolarHBondContact O-CE1 3.43Å; P4-Y19 PolarHBondContact O-OH 3.45Å
5	S	48.6	Very low	52.6	Low	93 Å²	93	105.7 Å²	105.7	65%	0.65	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-8.1	177	48.6	0	0	0	0	115.3	K3	K3-S5 PolarHBondContact O-N 3.19Å
6	D	49.2	Very low	54	Low	72 Å²	72	106.6 Å²	106.6	39%	0.385	54%	0.54	S	S	.	.			trans	-114.6	21	-156.4	-54.2	-20	0	0	0	115.1	W2 K3 P4 P8	W2-D6 HydrophobicContact CE3-CB 3.79Å; W2-D6 HydrophobicContact CZ3-CB 4.45Å; K3-D6 PolarHBondContact O-N 2.95Å; P4-D6 VanDerWaalsContact C-N 3.32Å; D6-P8 VanDerWaalsContact O-CD 3.23Å; D6-P8 WeakPolarHBondContact O-CD 3.36Å
7	I	50.6	Low	55	Low	75 Å²	75	110.3 Å²	110.3	39%	0.385	55%	0.552	S	S	.	*			trans	-85.2	109.6	175.7	-55.2	179.6	0	0	0	109.5	G9 Y10 Y19	I7-G9 PolarHBondContact O-N 2.87Å; I7-Y10 HydrophobicContact CG2-CD2 3.65Å; I7-Y10 HydrophobicContact CG2-CE2 4.39Å; I7-Y10 HydrophobicContact CG2-CG 4.17Å; I7-Y10 PolarHBondContact O-N 2.94Å; I7-Y19 HydrophobicContact CD1-CD1 4.02Å; I7-Y19 HydrophobicContact CD1-CD2 4.42Å; I7-Y19 HydrophobicContact CD1-CE1 3.64Å; I7-Y19 HydrophobicContact CD1-CE2 4.07Å; I7-Y19 HydrophobicContact CD1-CG 4.39Å; I7-Y19 HydrophobicContact CG1-CE1 4.12Å
8	P	48.3	Very low	55.8	Low	88 Å²	88	112.1 Å²	112.1	57%	0.571	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	135	-179.3	-21.1	34.3	0	0	0	111.9	D6 Y10	D6-P8 VanDerWaalsContact O-CD 3.23Å; D6-P8 WeakPolarHBondContact O-CD 3.36Å; P8-Y10 VanDerWaalsContact C-N 3.33Å
9	G	56.2	Low	56.2	Low	25 Å²	25	110.7 Å²	110.7	26%	0.258	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	5.6	-179.2	0	0	0	0	0	115.3	I7 I22	I7-G9 PolarHBondContact O-N 2.87Å; G9-I22 WeakPolarHBondContact O-CB 3.35Å; G9-I22 PolarHBondContact O-N 2.69Å
10	Y	58.2	Low	56.7	Low	105 Å²	105	107.4 Å²	107.4	41%	0.412	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144	174.6	-67.5	-100.7	0	0	0	109.7	I7 P8 F20 R21	I7-Y10 HydrophobicContact CG2-CD2 3.65Å; I7-Y10 HydrophobicContact CG2-CE2 4.39Å; I7-Y10 HydrophobicContact CG2-CG 4.17Å; I7-Y10 PolarHBondContact O-N 2.94Å; P8-Y10 VanDerWaalsContact C-N 3.33Å; Y10-F20 CarbonylContact C-O 3.44Å; Y10-F20 VanDerWaalsContact CA-O 3.27Å; Y10-F20 WeakPolarHBondContact CA-O 3.36Å; Y10-R21 VanDerWaalsContact CD1-CA 3.46Å; Y10-R21 HydrophobicContact CD1-CB 4Å; Y10-R21 HydrophobicContact CE1-CB 3.73Å; Y10-R21 HydrophobicContact CE1-CG 4.08Å
11	Y	63.5	Low	56.9	Low	110 Å²	110	109.3 Å²	109.3	43%	0.431	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.4	166.4	79.9	-90.1	0	0	0	109.3	D13 F20 I22	Y11-D13 HydrophobicContact CE2-CB 4.24Å; Y11-F20 HydrophobicContact CD1-CB 3.83Å; Y11-F20 HydrophobicContact CE1-CB 3.29Å; Y11-F20 HydrophobicContact CE1-CG 4.19Å; Y11-F20 HydrophobicContact CE2-CB 4.06Å; Y11-F20 HydrophobicContact CE2-CD2 4.17Å; Y11-F20 HydrophobicContact CE2-CG 4.36Å; Y11-F20 HydrophobicContact CG-CB 4.42Å; Y11-F20 VanDerWaalsContact CZ-CB 3.42Å; Y11-F20 AromaticContact CZ-CG 3.82Å; Y11-F20 PolarHBondContact N-O 2.77Å; Y11-F20 PolarHBondContact O-N 2.79Å; Y11-I22 HydrophobicContact CD1-CG1 4.11Å
12	Y	62.2	Low	58.1	Low	72 Å²	72	100.7 Å²	100.7	28%	0.282	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.2	178.6	-174	-103.6	0	0	0	110.3	H14 K17 Y19	Y12-H14 AromaticContact CD1-CE1 3.79Å; Y12-H14 AromaticContact CD1-CG 3.99Å; Y12-H14 AromaticContact CD1-ND1 3.86Å; Y12-H14 AromaticContact CD1-NE2 3.9Å; Y12-H14 AromaticContact CE1-CE1 3.88Å; Y12-H14 AromaticContact CE1-ND1 3.63Å; Y12-H14 PolarHBondContact O-N 3.1Å; Y12-K17 WeakPolarHBondContact OH-CA 3.21Å; Y12-Y19 AromaticContact CD2-CD1 3.83Å; Y12-Y19 HydrophobicContact CD2-CD1 3.83Å; Y12-Y19 AromaticContact CD2-CD2 3.83Å; Y12-Y19 HydrophobicContact CD2-CD2 3.83Å; Y12-Y19 AromaticContact CD2-CE1 3.64Å; Y12-Y19 HydrophobicContact CD2-CE1 3.64Å; Y12-Y19 AromaticContact CD2-CE2 3.63Å; Y12-Y19 HydrophobicContact CD2-CE2 3.63Å; Y12-Y19 AromaticContact CD2-CG 3.92Å; Y12-Y19 HydrophobicContact CD2-CG 3.92Å; Y12-Y19 AromaticContact CD2-CZ 3.53Å; Y12-Y19 HydrophobicContact CE2-CD2 4.22Å; Y12-Y19 AromaticContact CE2-CE2 3.93Å; Y12-Y19 HydrophobicContact CE2-CE2 3.93Å; Y12-Y19 HydrophobicContact CG-CD1 4.41Å; Y12-Y19 HydrophobicContact CG-CE1 4.1Å
13	D	65.8	Low	59	Low	29 Å²	29	98.3 Å²	98.3	16%	0.155	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	107.3	173.4	-177.6	-27.2	0	0	0	109	Y11 A15 K16 K17 R18 F20	Y11-D13 HydrophobicContact CE2-CB 4.24Å; D13-A15 VanDerWaalsContact C-N 3.3Å; D13-A15 PolarHBondContact O-N 3.02Å; D13-A15 WeakPolarHBondContact OD1-CA 3.1Å; D13-A15 WeakPolarHBondContact OD1-CB 3.43Å; D13-A15 PolarHBondContact OD1-N 3.49Å; D13-K16 HydrophobicContact CB-CB 4.3Å; D13-K16 PolarHBondContact O-N 2.67Å; D13-K16 PolarHBondContact OD1-N 3.5Å; D13-K16 VanDerWaalsContact OD2-CD 3.24Å; D13-K16 WeakPolarHBondContact OD2-CD 3.27Å; D13-K16 WeakPolarHBondContact OD2-CE 3.18Å; D13-K16 WeakPolarHBondContact OD2-CG 3.46Å; D13-K16 IonicContact OD2-NZ 3.91Å; D13-K16 PolarHBondContact OD2-NZ 3.14Å; D13-K17 WeakPolarHBondContact O-CA 3.24Å; D13-K17 PolarHBondContact O-N 2.99Å; D13-R18 PolarHBondContact N-O 2.79Å; D13-R18 PolarHBondContact O-N 3.13Å; D13-F20 HydrophobicContact CB-CD2 3.55Å; D13-F20 HydrophobicContact CB-CE2 3.44Å; D13-F20 VanDerWaalsContact CB-CE2 3.44Å
14	H	70	Confident	59.2	Low	152 Å²	152	95.4 Å²	95.4	70%	0.704	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.9	-179.9	-78.7	-81.7	0	0	0	113.6	Y12	Y12-H14 AromaticContact CD1-CE1 3.79Å; Y12-H14 AromaticContact CD1-CG 3.99Å; Y12-H14 AromaticContact CD1-ND1 3.86Å; Y12-H14 AromaticContact CD1-NE2 3.9Å; Y12-H14 AromaticContact CE1-CE1 3.88Å; Y12-H14 AromaticContact CE1-ND1 3.63Å; Y12-H14 PolarHBondContact O-N 3.1Å
15	A	69.6	Low	59.1	Low	94 Å²	94	96 Å²	96	78%	0.777	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-38.7	-179.5	0	0	0	0	0	111	D13	D13-A15 VanDerWaalsContact C-N 3.3Å; D13-A15 PolarHBondContact O-N 3.02Å; D13-A15 WeakPolarHBondContact OD1-CA 3.1Å; D13-A15 WeakPolarHBondContact OD1-CB 3.43Å; D13-A15 PolarHBondContact OD1-N 3.49Å
16	K	74.9	Confident	58.5	Low	120 Å²	120	95 Å²	95	52%	0.522	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.4	178.6	-62.4	178.7	-168	146.8	0	113.8	D13 R18 F20	D13-K16 HydrophobicContact CB-CB 4.3Å; D13-K16 PolarHBondContact O-N 2.67Å; D13-K16 PolarHBondContact OD1-N 3.5Å; D13-K16 VanDerWaalsContact OD2-CD 3.24Å; D13-K16 WeakPolarHBondContact OD2-CD 3.27Å; D13-K16 WeakPolarHBondContact OD2-CE 3.18Å; D13-K16 WeakPolarHBondContact OD2-CG 3.46Å; D13-K16 IonicContact OD2-NZ 3.91Å; D13-K16 PolarHBondContact OD2-NZ 3.14Å; K16-R18 HydrophobicContact CB-CG 4.03Å; K16-R18 PolarHBondContact O-N 3.23Å; K16-F20 HydrophobicContact CB-CE2 4.25Å; K16-F20 HydrophobicContact CD-CE2 3.8Å; K16-F20 HydrophobicContact CD-CZ 3.52Å
17	K	70.6	Confident	57.9	Low	170 Å²	170	94.9 Å²	94.9	74%	0.739	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	39.9	-178.3	-60.1	-176.7	178.3	179.6	0	113.2	Y12 D13	Y12-K17 WeakPolarHBondContact OH-CA 3.21Å; D13-K17 WeakPolarHBondContact O-CA 3.24Å; D13-K17 PolarHBondContact O-N 2.99Å
18	R	71	Confident	57.5	Low	142 Å²	142	92.7 Å²	92.7	54%	0.536	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.4	-179.1	71.1	-175	-169.6	-171.4	1.4	112.3	D13 K16 F20	D13-R18 PolarHBondContact N-O 2.79Å; D13-R18 PolarHBondContact O-N 3.13Å; K16-R18 HydrophobicContact CB-CG 4.03Å; K16-R18 PolarHBondContact O-N 3.23Å; R18-F20 HydrophobicContact CG-CD2 4.24Å; R18-F20 HydrophobicContact CG-CE2 3.62Å; R18-F20 HydrophobicContact CG-CZ 4.07Å
19	Y	63.4	Low	57.3	Low	87 Å²	87	91.8 Å²	91.8	34%	0.341	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.1	173.5	-68.3	-85.6	0	0	0	110.9	P4 I7 Y12	P4-Y19 VanDerWaalsContact C-OH 3.3Å; P4-Y19 WeakPolarHBondContact CA-OH 3.49Å; P4-Y19 WeakPolarHBondContact CB-OH 3.41Å; P4-Y19 WeakPolarHBondContact O-CE1 3.43Å; P4-Y19 PolarHBondContact O-OH 3.45Å; I7-Y19 HydrophobicContact CD1-CD1 4.02Å; I7-Y19 HydrophobicContact CD1-CD2 4.42Å; I7-Y19 HydrophobicContact CD1-CE1 3.64Å; I7-Y19 HydrophobicContact CD1-CE2 4.07Å; I7-Y19 HydrophobicContact CD1-CG 4.39Å; I7-Y19 HydrophobicContact CG1-CE1 4.12Å; Y12-Y19 AromaticContact CD2-CD1 3.83Å; Y12-Y19 HydrophobicContact CD2-CD1 3.83Å; Y12-Y19 AromaticContact CD2-CD2 3.83Å; Y12-Y19 HydrophobicContact CD2-CD2 3.83Å; Y12-Y19 AromaticContact CD2-CE1 3.64Å; Y12-Y19 HydrophobicContact CD2-CE1 3.64Å; Y12-Y19 AromaticContact CD2-CE2 3.63Å; Y12-Y19 HydrophobicContact CD2-CE2 3.63Å; Y12-Y19 AromaticContact CD2-CG 3.92Å; Y12-Y19 HydrophobicContact CD2-CG 3.92Å; Y12-Y19 AromaticContact CD2-CZ 3.53Å; Y12-Y19 HydrophobicContact CE2-CD2 4.22Å; Y12-Y19 AromaticContact CE2-CE2 3.93Å; Y12-Y19 HydrophobicContact CE2-CE2 3.93Å; Y12-Y19 HydrophobicContact CG-CD1 4.41Å; Y12-Y19 HydrophobicContact CG-CE1 4.1Å
20	F	65.1	Low	57	Low	44 Å²	44	93.5 Å²	93.5	19%	0.193	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.2	166.8	-73	-92.3	0	0	0	107.7	Y10 Y11 D13 K16 R18 I22	Y10-F20 CarbonylContact C-O 3.44Å; Y10-F20 VanDerWaalsContact CA-O 3.27Å; Y10-F20 WeakPolarHBondContact CA-O 3.36Å; Y11-F20 HydrophobicContact CD1-CB 3.83Å; Y11-F20 HydrophobicContact CE1-CB 3.29Å; Y11-F20 HydrophobicContact CE1-CG 4.19Å; Y11-F20 HydrophobicContact CE2-CB 4.06Å; Y11-F20 HydrophobicContact CE2-CD2 4.17Å; Y11-F20 HydrophobicContact CE2-CG 4.36Å; Y11-F20 HydrophobicContact CG-CB 4.42Å; Y11-F20 VanDerWaalsContact CZ-CB 3.42Å; Y11-F20 AromaticContact CZ-CG 3.82Å; Y11-F20 PolarHBondContact N-O 2.77Å; Y11-F20 PolarHBondContact O-N 2.79Å; D13-F20 HydrophobicContact CB-CD2 3.55Å; D13-F20 HydrophobicContact CB-CE2 3.44Å; D13-F20 VanDerWaalsContact CB-CE2 3.44Å; K16-F20 HydrophobicContact CB-CE2 4.25Å; K16-F20 HydrophobicContact CD-CE2 3.8Å; K16-F20 HydrophobicContact CD-CZ 3.52Å; R18-F20 HydrophobicContact CG-CD2 4.24Å; R18-F20 HydrophobicContact CG-CE2 3.62Å; R18-F20 HydrophobicContact CG-CZ 4.07Å; F20-I22 PolarHBondContact O-N 2.98Å
21	R	60.7	Low	56	Low	147 Å²	147	89.5 Å²	89.5	56%	0.555	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	128.7	169.3	-170.9	174	176.1	178.6	-0.7	107	Y10 E23	Y10-R21 VanDerWaalsContact CD1-CA 3.46Å; Y10-R21 HydrophobicContact CD1-CB 4Å; Y10-R21 HydrophobicContact CE1-CB 3.73Å; Y10-R21 HydrophobicContact CE1-CG 4.08Å; R21-E23 VanDerWaalsContact C-N 3.31Å; R21-E23 PolarHBondContact O-N 3.29Å
22	I	60.4	Low	54.9	Low	61 Å²	61	87.7 Å²	87.7	31%	0.313	46%	0.458	S	S	.	.			trans	-63	107.6	161.7	-61.2	171.3	0	0	0	103.1	G9 Y11 F20 N24	G9-I22 WeakPolarHBondContact O-CB 3.35Å; G9-I22 PolarHBondContact O-N 2.69Å; Y11-I22 HydrophobicContact CD1-CG1 4.11Å; F20-I22 PolarHBondContact O-N 2.98Å; I22-N24 PolarHBondContact O-N 3.46Å; I22-N24 VanDerWaalsContact O-N 3.13Å
23	E	48.6	Very low	53.7	Low	150 Å²	150	91.7 Å²	91.7	70%	0.701	48%	0.479	S	S	*	.			trans	-51.6	128.5	178	-73.3	-175.5	171.9	0	0	106.9	R21 H25	R21-E23 VanDerWaalsContact C-N 3.31Å; R21-E23 PolarHBondContact O-N 3.29Å; E23-H25 PolarHBondContact O-N 3.14Å
24	N	41.7	Very low	52.3	Low	89 Å²	89	99.1 Å²	99.1	48%	0.476	51%	0.51	S	S	.	.			trans	-61.8	89.5	169.1	-76.1	-12.4	0	0	0	105.1	I22 G26	I22-N24 PolarHBondContact O-N 3.46Å; I22-N24 VanDerWaalsContact O-N 3.13Å; N24-G26 PolarHBondContact O-N 2.77Å
25	H	42.9	Very low	50.9	Low	90 Å²	90	95.3 Å²	95.3	42%	0.417	50%	0.498	S	S	.	.			trans	-47.2	117.6	161.4	-66.1	-63.8	0	0	0	104.5	E23 T27 D360	E23-H25 PolarHBondContact O-N 3.14Å; H25-T27 WeakPolarHBondContact O-CA 3.28Å; H25-T27 PolarHBondContact O-N 2.87Å; H25-D360 HydrophobicContact CB-CB 4.12Å; H25-D360 IonicContact CE1-OD1 2.78Å; H25-D360 IonicContact CG-OD1 3.65Å; H25-D360 IonicContact ND1-OD1 3.29Å; H25-D360 PolarHBondContact ND1-OD1 3.3Å
26	G	35.6	Very low	49.5	Very low	72 Å²	72	93.2 Å²	93.2	74%	0.742	48%	0.475	S	S	*	.	S	Bend	trans	-31.2	103.9	-158.7	0	0	0	0	0	111	N24 P28	N24-G26 PolarHBondContact O-N 2.77Å; G26-P28 VanDerWaalsContact O-CD 3.27Å; G26-P28 WeakPolarHBondContact O-CD 3.5Å
27	T	36.2	Very low	47.8	Very low	70 Å²	70	93.1 Å²	93.1	43%	0.429	48%	0.48	S	S	.	.			trans	-48	116.4	-168.9	-11.9	0	0	0	0	107.9	H25 G29 R379	H25-T27 WeakPolarHBondContact O-CA 3.28Å; H25-T27 PolarHBondContact O-N 2.87Å; T27-G29 PolarHBondContact O-N 2.67Å; T27-R379 VanDerWaalsContact CG2-NH1 3.34Å
28	P	43	Very low	46.5	Very low	30 Å²	30	88.5 Å²	88.5	20%	0.195	47%	0.467	C	S	.	.			trans	-58.9	121.9	168.5	-16.8	27.6	0	0	0	106.1	G26 F30 V31 L362	G26-P28 VanDerWaalsContact O-CD 3.27Å; G26-P28 WeakPolarHBondContact O-CD 3.5Å; P28-F30 HydrophobicContact CB-CD1 3.45Å; P28-F30 VanDerWaalsContact CB-CD1 3.45Å; P28-F30 HydrophobicContact CB-CE1 3.07Å; P28-F30 HydrophobicContact CB-CE2 4.39Å; P28-F30 HydrophobicContact CB-CG 4.28Å; P28-F30 HydrophobicContact CB-CZ 3.58Å; P28-F30 HydrophobicContact CG-CE1 3.98Å; P28-F30 HydrophobicContact CG-CZ 4.07Å; P28-F30 PolarHBondContact O-N 2.95Å; P28-V31 PolarHBondContact O-N 2.78Å; P28-L362 HydrophobicContact CG-CD2 3.58Å
29	G	44.8	Very low	45.2	Very low	69 Å²	69	91.1 Å²	91.1	71%	0.711	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-12	-170.8	0	0	0	0	0	114.5	T27	T27-G29 PolarHBondContact O-N 2.67Å
30	F	48.4	Very low	44.3	Very low	61 Å²	61	93.8 Å²	93.8	27%	0.268	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23	177.7	66.1	-102.2	0	0	0	114.4	P28 T32 V35 H433	P28-F30 HydrophobicContact CB-CD1 3.45Å; P28-F30 VanDerWaalsContact CB-CD1 3.45Å; P28-F30 HydrophobicContact CB-CE1 3.07Å; P28-F30 HydrophobicContact CB-CE2 4.39Å; P28-F30 HydrophobicContact CB-CG 4.28Å; P28-F30 HydrophobicContact CB-CZ 3.58Å; P28-F30 HydrophobicContact CG-CE1 3.98Å; P28-F30 HydrophobicContact CG-CZ 4.07Å; P28-F30 PolarHBondContact O-N 2.95Å; F30-T32 PolarHBondContact O-N 2.89Å; F30-T32 VanDerWaalsContact O-N 3.13Å; F30-V35 WeakPolarHBondContact O-CB 3.26Å; F30-V35 WeakPolarHBondContact O-CG2 3.35Å; F30-H433 HydrophobicContact CD2-CB 3.95Å; F30-H433 AromaticContact CD2-CG 3.87Å; F30-H433 AromaticContact CD2-ND1 3.51Å; F30-H433 AromaticContact CE1-CE1 3.5Å; F30-H433 VanDerWaalsContact CE1-CE1 3.5Å; F30-H433 WeakPolarHBondContact CE1-CE1 3.19Å; F30-H433 AromaticContact CE1-ND1 3.65Å; F30-H433 HydrophobicContact CE2-CB 4.39Å; F30-H433 AromaticContact CE2-CE1 3.72Å; F30-H433 AromaticContact CE2-CG 3.93Å; F30-H433 AromaticContact CE2-ND1 3.09Å; F30-H433 WeakPolarHBondContact CE2-ND1 3.37Å; F30-H433 HydrophobicContact CG-CB 4.26Å; F30-H433 AromaticContact CZ-CE1 3.27Å; F30-H433 WeakPolarHBondContact CZ-CE1 3.41Å; F30-H433 AromaticContact CZ-ND1 3.19Å; F30-H433 WeakPolarHBondContact CZ-ND1 3.12Å
31	V	37.4	Very low	43.4	Very low	21 Å²	21	92.8 Å²	92.8	13%	0.127	49%	0.492	C	S	.	.			trans	-90.6	76.1	177.9	-164.6	0	0	0	0	110	P28 R379 F380 V385	P28-V31 PolarHBondContact O-N 2.78Å; V31-R379 VanDerWaalsContact CB-NH2 3.27Å; V31-F380 HydrophobicContact CG1-CE2 4.18Å; V31-V385 HydrophobicContact CG1-CG1 4.49Å
32	T	40	Very low	42.6	Very low	72 Å²	72	90.9 Å²	90.9	44%	0.442	49%	0.487	S	S	.	.			trans	-115.5	146	160.1	65.9	0	0	0	0	108.8	F30 K34 V35	F30-T32 PolarHBondContact O-N 2.89Å; F30-T32 VanDerWaalsContact O-N 3.13Å; T32-K34 PolarHBondContact O-N 2.76Å; T32-V35 PolarHBondContact O-N 3.38Å
33	Q	37.1	Very low	42.4	Very low	155 Å²	155	90.5 Å²	90.5	72%	0.724	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.3	178.7	-158.2	166.8	1.3	0	0	112.8
34	K	38	Very low	42.6	Very low	185 Å²	185	86 Å²	86	80%	0.804	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-24.8	173	-81.3	-172	173.4	-174.8	0	114.9	T32 V36	T32-K34 PolarHBondContact O-N 2.76Å; K34-V36 PolarHBondContact O-N 2.8Å
35	V	40.5	Very low	42.9	Very low	73 Å²	73	81.9 Å²	81.9	44%	0.442	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20	173.3	178.1	0	0	0	0	110.5	F30 T32 D37	F30-V35 WeakPolarHBondContact O-CB 3.26Å; F30-V35 WeakPolarHBondContact O-CG2 3.35Å; T32-V35 PolarHBondContact O-N 3.38Å; V35-D37 PolarHBondContact O-N 3.44Å; V35-D37 VanDerWaalsContact O-N 3.14Å
36	V	40.3	Very low	43.3	Very low	49 Å²	49	81.9 Å²	81.9	30%	0.297	45%	0.447	S	S	.	.			trans	-86.7	51.5	173.4	-167.1	0	0	0	0	110	K34 T38 V385	K34-V36 PolarHBondContact O-N 2.8Å; V36-T38 HydrophobicContact CG1-CG2 3.32Å; V36-T38 PolarHBondContact O-N 2.8Å; V36-T38 PolarHBondContact O-OG1 3.04Å; V36-V385 HydrophobicContact CG2-CG1 4.36Å
37	D	38.9	Very low	44.3	Very low	118 Å²	118	84.5 Å²	84.5	63%	0.631	44%	0.435	S	S	*	.			trans	-72.9	65.1	158.5	-105.7	-17.3	0	0	0	108	V35 Y39 F40 A41	V35-D37 PolarHBondContact O-N 3.44Å; V35-D37 VanDerWaalsContact O-N 3.14Å; D37-Y39 PolarHBondContact O-N 3.26Å; D37-F40 PolarHBondContact O-N 3.2Å; D37-A41 PolarHBondContact O-N 2.89Å; D37-A41 VanDerWaalsContact O-N 3.14Å
38	T	42.5	Very low	45	Very low	74 Å²	74	84.6 Å²	84.6	45%	0.454	43%	0.429	S	S	.	.	H	α-helix	trans	-52.4	-28	-178	30.3	0	0	0	0	111.5	V36 K42	V36-T38 HydrophobicContact CG1-CG2 3.32Å; V36-T38 PolarHBondContact O-N 2.8Å; V36-T38 PolarHBondContact O-OG1 3.04Å; T38-K42 WeakPolarHBondContact O-CA 3.09Å; T38-K42 WeakPolarHBondContact O-CB 3.24Å; T38-K42 PolarHBondContact O-N 3.4Å
39	Y	44.4	Very low	45.3	Very low	197 Å²	197	83.9 Å²	83.9	77%	0.773	42%	0.424	S	S	*	.	H	α-helix	trans	-68.6	-46	177.8	-156.3	-89.5	0	0	0	112.7	D37 S43	D37-Y39 PolarHBondContact O-N 3.26Å; Y39-S43 WeakPolarHBondContact O-CB 3.37Å; Y39-S43 PolarHBondContact O-N 3.15Å; Y39-S43 PolarHBondContact O-OG 2.58Å
40	F	44.6	Very low	45.8	Very low	142 Å²	142	84.4 Å²	84.4	62%	0.623	41%	0.411	S	S	*	.	H	α-helix	trans	-70.2	-48	179.3	-175.8	-98.1	0	0	0	111	D37 K42 S43 E44	D37-F40 PolarHBondContact O-N 3.2Å; F40-K42 VanDerWaalsContact C-N 3.28Å; F40-K42 PolarHBondContact O-N 3.16Å; F40-S43 PolarHBondContact O-N 3.15Å; F40-S43 PolarHBondContact O-OG 3.39Å; F40-E44 PolarHBondContact O-N 3.46Å
41	A	45	Very low	46	Very low	24 Å²	24	86.5 Å²	86.5	20%	0.198	42%	0.421	C	S	.	.	H	α-helix	trans	-58.5	-39.8	175.4	0	0	0	0	0	111.7	D37 T45	D37-A41 PolarHBondContact O-N 2.89Å; D37-A41 VanDerWaalsContact O-N 3.14Å; A41-T45 WeakPolarHBondContact O-CB 3.35Å; A41-T45 PolarHBondContact O-N 3.07Å; A41-T45 PolarHBondContact O-OG1 3.04Å
42	K	45.3	Very low	46.3	Very low	106 Å²	106	88 Å²	88	46%	0.461	43%	0.428	S	S	.	.	H	α-helix	trans	-65.6	-42.3	173.5	-177.7	175.8	-177.3	174.8	0	112.1	T38 F40 Q46 Y389	T38-K42 WeakPolarHBondContact O-CA 3.09Å; T38-K42 WeakPolarHBondContact O-CB 3.24Å; T38-K42 PolarHBondContact O-N 3.4Å; F40-K42 VanDerWaalsContact C-N 3.28Å; F40-K42 PolarHBondContact O-N 3.16Å; K42-Q46 WeakPolarHBondContact O-CB 3.43Å; K42-Q46 PolarHBondContact O-N 3.02Å; K42-Y389 HydrophobicContact CB-CE2 4.21Å; K42-Y389 HydrophobicContact CG-CE2 4.42Å
43	S	56.2	Low	46.6	Very low	54 Å²	54	87.4 Å²	87.4	38%	0.378	42%	0.421	S	S	.	.	H	α-helix	trans	-66.1	-42.2	179.2	72.7	0	0	0	0	112.4	Y39 F40 Q46 R47	Y39-S43 WeakPolarHBondContact O-CB 3.37Å; Y39-S43 PolarHBondContact O-N 3.15Å; Y39-S43 PolarHBondContact O-OG 2.58Å; F40-S43 PolarHBondContact O-N 3.15Å; F40-S43 PolarHBondContact O-OG 3.39Å; S43-Q46 PolarHBondContact O-N 3.34Å; S43-R47 WeakPolarHBondContact O-CB 3.21Å; S43-R47 PolarHBondContact O-N 2.98Å
44	E	52	Low	47.1	Very low	54 Å²	54	83 Å²	83	25%	0.252	41%	0.408	S	S	.	.	H	α-helix	trans	-74.5	-38	-179.7	-175.3	59.7	-166.4	0	0	111.4	F40 R47 K48	F40-E44 PolarHBondContact O-N 3.46Å; E44-R47 WeakPolarHBondContact O-CB 3.15Å; E44-R47 PolarHBondContact O-N 3.07Å; E44-R47 IonicContact OE1-CZ 3.6Å; E44-R47 IonicContact OE1-NE 3.52Å; E44-R47 PolarHBondContact OE1-NE 2.82Å; E44-R47 IonicContact OE1-NH2 2.9Å; E44-R47 PolarHBondContact OE1-NH2 3.31Å; E44-R47 IonicContact OE2-CZ 3.33Å; E44-R47 IonicContact OE2-NE 3.67Å; E44-R47 PolarHBondContact OE2-NE 3.1Å; E44-R47 IonicContact OE2-NH2 2.75Å; E44-K48 PolarHBondContact O-N 3.18Å
45	T	47	Very low	47.5	Very low	3 Å²	3	79.2 Å²	79.2	2%	0.018	40%	0.396	C	S	.	.	H	α-helix	trans	-67.1	-41.2	172.5	-57	0	0	0	0	111.1	A41 R47 K48 V49 V437	A41-T45 WeakPolarHBondContact O-CB 3.35Å; A41-T45 PolarHBondContact O-N 3.07Å; A41-T45 PolarHBondContact O-OG1 3.04Å; T45-R47 VanDerWaalsContact C-N 3.29Å; T45-R47 PolarHBondContact O-N 3.25Å; T45-K48 PolarHBondContact O-N 2.47Å; T45-V49 HydrophobicContact CG2-CG2 4.22Å; T45-V49 WeakPolarHBondContact O-CB 3.3Å; T45-V49 VanDerWaalsContact O-CG2 3.23Å; T45-V49 WeakPolarHBondContact O-CG2 3.08Å; T45-V49 PolarHBondContact O-N 3.13Å; T45-V437 HydrophobicContact CG2-CG2 3.94Å
46	Q	51.7	Low	47.6	Very low	90 Å²	90	79.1 Å²	79.1	42%	0.421	39%	0.387	S	S	.	.	H	α-helix	trans	-60.1	-41.2	172.6	-172.4	64.4	49.3	0	0	110.6	K42 S43 K48 V49 D50	K42-Q46 WeakPolarHBondContact O-CB 3.43Å; K42-Q46 PolarHBondContact O-N 3.02Å; S43-Q46 PolarHBondContact O-N 3.34Å; Q46-K48 PolarHBondContact O-N 2.76Å; Q46-V49 CarbonylContact O-C 3.46Å; Q46-V49 PolarHBondContact O-N 2.9Å; Q46-D50 PolarHBondContact NE2-OD1 3.23Å; Q46-D50 VanDerWaalsContact O-CB 3.27Å; Q46-D50 WeakPolarHBondContact O-CB 3.39Å; Q46-D50 PolarHBondContact O-N 3.18Å
47	R	57.6	Low	47.6	Very low	127 Å²	127	86.5 Å²	86.5	48%	0.479	41%	0.41	S	S	.	.	H	α-helix	trans	-60.8	-44.7	174.9	-169.1	-177.9	76.8	100.8	3.5	112.2	S43 E44 T45 D50 Q51	S43-R47 WeakPolarHBondContact O-CB 3.21Å; S43-R47 PolarHBondContact O-N 2.98Å; E44-R47 WeakPolarHBondContact O-CB 3.15Å; E44-R47 PolarHBondContact O-N 3.07Å; E44-R47 IonicContact OE1-CZ 3.6Å; E44-R47 IonicContact OE1-NE 3.52Å; E44-R47 PolarHBondContact OE1-NE 2.82Å; E44-R47 IonicContact OE1-NH2 2.9Å; E44-R47 PolarHBondContact OE1-NH2 3.31Å; E44-R47 IonicContact OE2-CZ 3.33Å; E44-R47 IonicContact OE2-NE 3.67Å; E44-R47 PolarHBondContact OE2-NE 3.1Å; E44-R47 IonicContact OE2-NH2 2.75Å; T45-R47 VanDerWaalsContact C-N 3.29Å; T45-R47 PolarHBondContact O-N 3.25Å; R47-D50 PolarHBondContact O-N 3.4Å; R47-Q51 WeakPolarHBondContact O-CG 2.98Å; R47-Q51 PolarHBondContact O-N 2.96Å
48	K	49.5	Very low	47.7	Very low	72 Å²	72	90.2 Å²	90.2	31%	0.313	42%	0.415	S	S	.	.	H	α-helix	trans	-65.2	-42	175.1	-71.5	-174.2	-177.8	-174.7	0	111.8	E44 T45 Q46 D50 Q51 M52 V437	E44-K48 PolarHBondContact O-N 3.18Å; T45-K48 PolarHBondContact O-N 2.47Å; Q46-K48 PolarHBondContact O-N 2.76Å; K48-D50 VanDerWaalsContact C-N 3.35Å; K48-Q51 WeakPolarHBondContact O-CB 3.5Å; K48-Q51 PolarHBondContact O-N 3.2Å; K48-M52 WeakPolarHBondContact O-CG 3.28Å; K48-M52 PolarHBondContact O-N 2.96Å; K48-V437 HydrophobicContact CD-CB 4.48Å; K48-V437 PolarHBondContact NZ-O 2.69Å
49	V	50.4	Low	47.6	Very low	16 Å²	16	91.1 Å²	91.1	10%	0.097	41%	0.413	C	S	.	.	H	α-helix	trans	-63.1	-40.4	174.1	169.6	0	0	0	0	110.8	T45 Q46 M52 L53	T45-V49 HydrophobicContact CG2-CG2 4.22Å; T45-V49 WeakPolarHBondContact O-CB 3.3Å; T45-V49 VanDerWaalsContact O-CG2 3.23Å; T45-V49 WeakPolarHBondContact O-CG2 3.08Å; T45-V49 PolarHBondContact O-N 3.13Å; Q46-V49 CarbonylContact O-C 3.46Å; Q46-V49 PolarHBondContact O-N 2.9Å; V49-M52 CarbonylContact O-C 3.5Å; V49-M52 WeakPolarHBondContact O-CB 2.78Å; V49-M52 PolarHBondContact O-N 3.39Å; V49-L53 HydrophobicContact CG1-CD1 4Å; V49-L53 HydrophobicContact CG1-CG 4.36Å; V49-L53 WeakPolarHBondContact O-CB 3.24Å; V49-L53 VanDerWaalsContact O-CG 3.23Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 2.91Å
50	D	55.3	Low	47.1	Very low	80 Å²	80	86.3 Å²	86.3	43%	0.428	40%	0.4	S	S	.	.	H	α-helix	trans	-67.1	-37.3	176.2	-70.7	-16.9	0	0	0	111.4	Q46 R47 K48 L53 S54	Q46-D50 PolarHBondContact NE2-OD1 3.23Å; Q46-D50 VanDerWaalsContact O-CB 3.27Å; Q46-D50 WeakPolarHBondContact O-CB 3.39Å; Q46-D50 PolarHBondContact O-N 3.18Å; R47-D50 PolarHBondContact O-N 3.4Å; K48-D50 VanDerWaalsContact C-N 3.35Å; D50-L53 CarbonylContact O-C 3.5Å; D50-L53 WeakPolarHBondContact O-CA 3.48Å; D50-L53 WeakPolarHBondContact O-CB 3.47Å; D50-L53 PolarHBondContact O-N 2.95Å; D50-S54 PolarHBondContact O-N 2.77Å
51	Q	51.5	Low	46.9	Very low	104 Å²	104	84.7 Å²	84.7	49%	0.486	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-45.3	170.1	-77.3	179.3	-8.3	0	0	111.4	R47 K48 L53 S54 I55	R47-Q51 WeakPolarHBondContact O-CG 2.98Å; R47-Q51 PolarHBondContact O-N 2.96Å; K48-Q51 WeakPolarHBondContact O-CB 3.5Å; K48-Q51 PolarHBondContact O-N 3.2Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 3.13Å; Q51-S54 WeakPolarHBondContact O-CB 3.2Å; Q51-S54 PolarHBondContact O-N 2.78Å; Q51-S54 VanDerWaalsContact O-N 3.14Å; Q51-S54 PolarHBondContact O-OG 2.97Å; Q51-I55 PolarHBondContact O-N 3.35Å
52	M	44.6	Very low	46.6	Very low	53 Å²	53	88 Å²	88	26%	0.261	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-37	171	-68	174.8	65.3	0	0	111.7	K48 V49 S54 I55 R56 V440	K48-M52 WeakPolarHBondContact O-CG 3.28Å; K48-M52 PolarHBondContact O-N 2.96Å; V49-M52 CarbonylContact O-C 3.5Å; V49-M52 WeakPolarHBondContact O-CB 2.78Å; V49-M52 PolarHBondContact O-N 3.39Å; M52-S54 VanDerWaalsContact C-N 3.33Å; M52-S54 PolarHBondContact O-N 3.25Å; M52-I55 WeakPolarHBondContact O-CB 3.02Å; M52-I55 PolarHBondContact O-N 2.88Å; M52-R56 PolarHBondContact O-N 2.96Å; M52-V440 HydrophobicContact CE-CB 4.03Å; M52-V440 HydrophobicContact CE-CG1 3.88Å; M52-V440 HydrophobicContact CE-CG2 3.73Å; M52-V440 HydrophobicContact SD-CG2 3.93Å
53	L	46.2	Very low	46.2	Very low	59 Å²	59	87.5 Å²	87.5	31%	0.309	41%	0.411	S	S	.	.	H	α-helix	trans	-68.5	-30.5	176.3	-75	166.4	0	0	0	112.2	V49 D50 Q51 I55 R56 R57	V49-L53 HydrophobicContact CG1-CD1 4Å; V49-L53 HydrophobicContact CG1-CG 4.36Å; V49-L53 WeakPolarHBondContact O-CB 3.24Å; V49-L53 VanDerWaalsContact O-CG 3.23Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 2.91Å; D50-L53 CarbonylContact O-C 3.5Å; D50-L53 WeakPolarHBondContact O-CA 3.48Å; D50-L53 WeakPolarHBondContact O-CB 3.47Å; D50-L53 PolarHBondContact O-N 2.95Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 3.13Å; L53-I55 VanDerWaalsContact C-N 3.28Å; L53-I55 PolarHBondContact O-N 3.46Å; L53-R56 CarbonylContact O-C 3.6Å; L53-R56 PolarHBondContact O-N 3.05Å; L53-R56 VanDerWaalsContact O-N 3.16Å; L53-R57 PolarHBondContact O-N 2.83Å
54	S	48.8	Very low	45.2	Very low	64 Å²	64	89.2 Å²	89.2	45%	0.448	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-34.9	173.8	82.7	0	0	0	0	111.7	D50 Q51 M52	D50-S54 PolarHBondContact O-N 2.77Å; Q51-S54 WeakPolarHBondContact O-CB 3.2Å; Q51-S54 PolarHBondContact O-N 2.78Å; Q51-S54 VanDerWaalsContact O-N 3.14Å; Q51-S54 PolarHBondContact O-OG 2.97Å; M52-S54 VanDerWaalsContact C-N 3.33Å; M52-S54 PolarHBondContact O-N 3.25Å
55	I	45.4	Very low	44.7	Very low	105 Å²	105	91.1 Å²	91.1	54%	0.538	43%	0.425	S	S	.	.	H	α-helix	trans	-69.9	-42.7	170.6	-58.2	171	0	0	0	109.6	Q51 M52 L53 R58 K59	Q51-I55 PolarHBondContact O-N 3.35Å; M52-I55 WeakPolarHBondContact O-CB 3.02Å; M52-I55 PolarHBondContact O-N 2.88Å; L53-I55 VanDerWaalsContact C-N 3.28Å; L53-I55 PolarHBondContact O-N 3.46Å; I55-R58 PolarHBondContact O-N 3Å; I55-K59 PolarHBondContact O-N 2.81Å
56	R	42.4	Very low	44.3	Very low	70 Å²	70	96.2 Å²	96.2	26%	0.264	45%	0.451	S	S	.	.	H	α-helix	trans	-64.7	-39.2	176	-77.1	178.6	167.5	176.1	2.4	113.9	M52 L53 R58 K59 L60 G393 N424	M52-R56 PolarHBondContact O-N 2.96Å; L53-R56 CarbonylContact O-C 3.6Å; L53-R56 PolarHBondContact O-N 3.05Å; L53-R56 VanDerWaalsContact O-N 3.16Å; R56-R58 PolarHBondContact O-N 2.49Å; R56-K59 PolarHBondContact O-N 3.14Å; R56-K59 VanDerWaalsContact O-N 3.13Å; R56-L60 WeakPolarHBondContact O-CA 3.41Å; R56-L60 WeakPolarHBondContact O-CB 2.89Å; R56-L60 PolarHBondContact O-N 3.49Å; R56-G393 PolarHBondContact NH1-O 3.39Å; R56-N424 PolarHBondContact NH2-ND2 3.47Å
57	R	39.6	Very low	43.6	Very low	204 Å²	204	96.1 Å²	96.1	77%	0.77	45%	0.453	S	S	*	.	H	α-helix	trans	-60.4	-36.3	-178.8	-97.7	-174	177.5	175.8	0.9	110.9	L53 M61	L53-R57 PolarHBondContact O-N 2.83Å; R57-M61 WeakPolarHBondContact O-CB 3.36Å; R57-M61 WeakPolarHBondContact O-CG 3.46Å; R57-M61 PolarHBondContact O-N 2.97Å
58	R	42.6	Very low	42.6	Very low	196 Å²	196	93 Å²	93	74%	0.74	45%	0.451	S	S	*	.	H	α-helix	trans	-67.8	-46.3	172.9	-102.2	-177	-86.8	175.2	-7	112.6	I55 R56 N62	I55-R58 PolarHBondContact O-N 3Å; R56-R58 PolarHBondContact O-N 2.49Å; R58-N62 PolarHBondContact O-N 2.8Å
59	K	38.7	Very low	41.9	Very low	94 Å²	94	97.9 Å²	97.9	41%	0.409	47%	0.467	S	S	.	.	H	α-helix	trans	-74.4	-41.8	-178.8	-76	-174.9	176.9	178.8	0	113.5	I55 R56 N62 I63 E442	I55-K59 PolarHBondContact O-N 2.81Å; R56-K59 PolarHBondContact O-N 3.14Å; R56-K59 VanDerWaalsContact O-N 3.13Å; K59-N62 WeakPolarHBondContact O-CB 3.34Å; K59-N62 PolarHBondContact O-N 2.79Å; K59-I63 PolarHBondContact O-N 3.22Å; K59-E442 VanDerWaalsContact NZ-CD 3.31Å; K59-E442 IonicContact NZ-OE1 2.75Å; K59-E442 PolarHBondContact NZ-OE1 3.45Å; K59-E442 IonicContact NZ-OE2 2.83Å; K59-E442 PolarHBondContact NZ-OE2 3.25Å
60	L	35.2	Very low	41.1	Very low	95 Å²	95	106.3 Å²	106.3	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-68.4	-39.5	179.6	-175.6	70.7	0	0	0	111.6	R56 N62 I63 L64	R56-L60 WeakPolarHBondContact O-CA 3.41Å; R56-L60 WeakPolarHBondContact O-CB 2.89Å; R56-L60 PolarHBondContact O-N 3.49Å; L60-N62 PolarHBondContact O-N 2.86Å; L60-I63 PolarHBondContact O-N 2.84Å; L60-L64 HydrophobicContact CD1-CD1 4.41Å; L60-L64 HydrophobicContact CD1-CG 4.39Å; L60-L64 HydrophobicContact CD2-CD1 4.37Å; L60-L64 HydrophobicContact CG-CD1 3.97Å; L60-L64 HydrophobicContact CG-CG 4.33Å; L60-L64 WeakPolarHBondContact O-CB 3.24Å; L60-L64 WeakPolarHBondContact O-CG 3.47Å; L60-L64 PolarHBondContact O-N 2.94Å
61	M	40.8	Very low	40.1	Very low	108 Å²	108	110.3 Å²	110.3	53%	0.532	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-35.5	172.5	-71	-67.1	-84.8	0	0	110.9	R57 Q65	R57-M61 WeakPolarHBondContact O-CB 3.36Å; R57-M61 WeakPolarHBondContact O-CG 3.46Å; R57-M61 PolarHBondContact O-N 2.97Å; M61-Q65 WeakPolarHBondContact O-CB 3.46Å; M61-Q65 WeakPolarHBondContact O-CG 3.38Å; M61-Q65 PolarHBondContact O-N 2.97Å
62	N	38.8	Very low	39.4	Very low	95 Å²	95	110.6 Å²	110.6	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-66.1	-41.3	172.5	-79.1	-13.3	0	0	0	112.7	R58 K59 L60 L66	R58-N62 PolarHBondContact O-N 2.8Å; K59-N62 WeakPolarHBondContact O-CB 3.34Å; K59-N62 PolarHBondContact O-N 2.79Å; L60-N62 PolarHBondContact O-N 2.86Å; N62-L66 VanDerWaalsContact O-CB 3.28Å; N62-L66 WeakPolarHBondContact O-CB 3.49Å; N62-L66 WeakPolarHBondContact O-CD1 3.5Å; N62-L66 WeakPolarHBondContact O-CG 3.27Å; N62-L66 PolarHBondContact O-N 3.3Å
63	I	37	Very low	38.6	Very low	94 Å²	94	111 Å²	111	48%	0.482	53%	0.53	S	S	.	.	H	α-helix	trans	-69.9	-44.5	178.5	-67.1	170.7	0	0	0	111.1	K59 L60 Q65 L66 L67	K59-I63 PolarHBondContact O-N 3.22Å; L60-I63 PolarHBondContact O-N 2.84Å; I63-Q65 VanDerWaalsContact C-N 3.34Å; I63-L66 WeakPolarHBondContact O-CB 3.19Å; I63-L66 PolarHBondContact O-N 2.82Å; I63-L67 HydrophobicContact CG2-CD1 3.87Å; I63-L67 HydrophobicContact CG2-CG 4.34Å; I63-L67 WeakPolarHBondContact O-CB 3.09Å; I63-L67 VanDerWaalsContact O-CG 3.27Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 2.9Å
64	L	35.1	Very low	37.8	Very low	90 Å²	90	115.7 Å²	115.7	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-66.1	-36.2	175.2	-72.6	173.2	0	0	0	111.5	L60 L67 S68	L60-L64 HydrophobicContact CD1-CD1 4.41Å; L60-L64 HydrophobicContact CD1-CG 4.39Å; L60-L64 HydrophobicContact CD2-CD1 4.37Å; L60-L64 HydrophobicContact CG-CD1 3.97Å; L60-L64 HydrophobicContact CG-CG 4.33Å; L60-L64 WeakPolarHBondContact O-CB 3.24Å; L60-L64 WeakPolarHBondContact O-CG 3.47Å; L60-L64 PolarHBondContact O-N 2.94Å; L64-L67 PolarHBondContact O-N 2.84Å; L64-S68 WeakPolarHBondContact O-CB 3.43Å; L64-S68 PolarHBondContact O-N 3Å
65	Q	41.1	Very low	36.8	Very low	95 Å²	95	117.4 Å²	117.4	44%	0.444	57%	0.568	S	S	.	*	H	α-helix	trans	-67.1	-36.3	170.4	-79.4	178.2	-4.8	0	0	112	M61 I63 R69	M61-Q65 WeakPolarHBondContact O-CB 3.46Å; M61-Q65 WeakPolarHBondContact O-CG 3.38Å; M61-Q65 PolarHBondContact O-N 2.97Å; I63-Q65 VanDerWaalsContact C-N 3.34Å; Q65-R69 WeakPolarHBondContact O-CB 3.39Å; Q65-R69 WeakPolarHBondContact O-CG 3.16Å; Q65-R69 PolarHBondContact O-N 3.26Å
66	L	38.8	Very low	35.9	Very low	110 Å²	110	119.6 Å²	119.6	58%	0.576	58%	0.58	S	S	*	*	H	α-helix	trans	-67.2	-40.9	174.1	-87.1	159.1	0	0	0	111.8	N62 I63 R70	N62-L66 VanDerWaalsContact O-CB 3.28Å; N62-L66 WeakPolarHBondContact O-CB 3.49Å; N62-L66 WeakPolarHBondContact O-CD1 3.5Å; N62-L66 WeakPolarHBondContact O-CG 3.27Å; N62-L66 PolarHBondContact O-N 3.3Å; I63-L66 WeakPolarHBondContact O-CB 3.19Å; I63-L66 PolarHBondContact O-N 2.82Å; L66-R70 WeakPolarHBondContact O-CB 3.35Å; L66-R70 PolarHBondContact O-N 3.48Å
67	L	35.8	Very low	35.1	Very low	87 Å²	87	120.2 Å²	120.2	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-69.7	-42.1	176	-70.2	170.2	0	0	0	111.4	I63 L64 R70 E71	I63-L67 HydrophobicContact CG2-CD1 3.87Å; I63-L67 HydrophobicContact CG2-CG 4.34Å; I63-L67 WeakPolarHBondContact O-CB 3.09Å; I63-L67 VanDerWaalsContact O-CG 3.27Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 2.9Å; L64-L67 PolarHBondContact O-N 2.84Å; L67-R70 WeakPolarHBondContact O-CB 2.98Å; L67-R70 PolarHBondContact O-N 2.99Å; L67-E71 PolarHBondContact O-N 2.87Å
68	S	36.4	Very low	34.7	Very low	63 Å²	63	115.9 Å²	115.9	44%	0.441	59%	0.591	S	S	.	*	H	α-helix	trans	-65.9	-41.9	174.3	170.3	0	0	0	0	111.7	L64 R70 E71 T72	L64-S68 WeakPolarHBondContact O-CB 3.43Å; L64-S68 PolarHBondContact O-N 3Å; S68-R70 VanDerWaalsContact C-N 3.29Å; S68-R70 PolarHBondContact O-N 2.93Å; S68-E71 PolarHBondContact O-N 3.33Å; S68-T72 WeakPolarHBondContact O-CG2 3.47Å; S68-T72 PolarHBondContact O-N 3.07Å; S68-T72 PolarHBondContact O-OG1 3.36Å; S68-T72 VanDerWaalsContact O-OG1 3.1Å
69	R	35.9	Very low	34.1	Very low	173 Å²	173	112.9 Å²	112.9	65%	0.653	59%	0.59	S	S	*	*	H	α-helix	trans	-59.9	-41.7	172	-80.9	179.4	179.6	-171.8	1.1	110.7	Q65 T72 S73	Q65-R69 WeakPolarHBondContact O-CB 3.39Å; Q65-R69 WeakPolarHBondContact O-CG 3.16Å; Q65-R69 PolarHBondContact O-N 3.26Å; R69-T72 WeakPolarHBondContact CA-OG1 3.41Å; R69-T72 CarbonylContact O-C 3.54Å; R69-T72 PolarHBondContact O-N 3.2Å; R69-T72 PolarHBondContact O-OG1 2.87Å; R69-S73 WeakPolarHBondContact O-CB 3.49Å; R69-S73 PolarHBondContact O-N 3.16Å; R69-S73 PolarHBondContact O-OG 2.84Å; R69-S73 VanDerWaalsContact O-OG 3.06Å
70	R	32.8	Very low	33.6	Very low	193 Å²	193	111.1 Å²	111.1	73%	0.728	59%	0.593	S	S	*	*	H	α-helix	trans	-63.1	-40	174.6	-91.8	-176.2	172.1	-177.6	-1.9	113.5	L66 L67 S68 T72	L66-R70 WeakPolarHBondContact O-CB 3.35Å; L66-R70 PolarHBondContact O-N 3.48Å; L67-R70 WeakPolarHBondContact O-CB 2.98Å; L67-R70 PolarHBondContact O-N 2.99Å; S68-R70 VanDerWaalsContact C-N 3.29Å; S68-R70 PolarHBondContact O-N 2.93Å; R70-T72 PolarHBondContact O-N 2.73Å
71	E	34.9	Very low	33.3	Very low	165 Å²	165	111.9 Å²	111.9	77%	0.771	60%	0.601	S	S	*	*	H	α-helix	trans	-66.8	-28.5	174.4	-77	-177	165.2	0	0	112	L67 S68	L67-E71 PolarHBondContact O-N 2.87Å; S68-E71 PolarHBondContact O-N 3.33Å
72	T	36.1	Very low	32.5	Very low	109 Å²	109	116.5 Å²	116.5	67%	0.669	61%	0.614	S	S	*	*	H	α-helix	trans	-90.9	-23.1	178.7	56.5	0	0	0	0	114.9	S68 R69 R70 N74	S68-T72 WeakPolarHBondContact O-CG2 3.47Å; S68-T72 PolarHBondContact O-N 3.07Å; S68-T72 PolarHBondContact O-OG1 3.36Å; S68-T72 VanDerWaalsContact O-OG1 3.1Å; R69-T72 WeakPolarHBondContact CA-OG1 3.41Å; R69-T72 CarbonylContact O-C 3.54Å; R69-T72 PolarHBondContact O-N 3.2Å; R69-T72 PolarHBondContact O-OG1 2.87Å; R70-T72 PolarHBondContact O-N 2.73Å; T72-N74 PolarHBondContact O-N 3.08Å
73	S	28.9	Very low	31.8	Very low	62 Å²	62	117 Å²	117	43%	0.434	62%	0.621	S	S	.	*			trans	-95.1	72.3	-178	67.8	0	0	0	0	111.5	R69 S75	R69-S73 WeakPolarHBondContact O-CB 3.49Å; R69-S73 PolarHBondContact O-N 3.16Å; R69-S73 PolarHBondContact O-OG 2.84Å; R69-S73 VanDerWaalsContact O-OG 3.06Å; S73-S75 PolarHBondContact O-N 3.03Å
74	N	30	Very low	31.2	Very low	157 Å²	157	123 Å²	123	84%	0.84	64%	0.637	S	S	*	*			trans	-67.7	73.4	163.6	-85.8	-28.1	0	0	0	110.4	T72	T72-N74 PolarHBondContact O-N 3.08Å
75	S	26.3	Very low	30.8	Very low	101 Å²	101	124 Å²	124	71%	0.706	65%	0.649	S	S	*	*			trans	-171.7	74.9	164.2	60.8	0	0	0	0	110.3	S73	S73-S75 PolarHBondContact O-N 3.03Å
76	L	27.8	Very low	30	Very low	151 Å²	151	126.5 Å²	126.5	79%	0.791	66%	0.66	S	S	*	*			trans	-118.1	119.1	155.2	-78.5	167.1	0	0	0	107.2
77	S	25.8	Very low	29.2	Very low	82 Å²	82	127.3 Å²	127.3	57%	0.573	67%	0.674	S	S	*	*			trans	-56.4	154.7	-173.6	50	0	0	0	0	112.1	D79 A80	S77-D79 PolarHBondContact O-N 3.02Å; S77-A80 PolarHBondContact O-N 3.29Å; S77-A80 VanDerWaalsContact O-N 3.11Å
78	V	30.2	Very low	28.6	Very low	113 Å²	113	131.9 Å²	131.9	69%	0.685	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-50.3	-18.7	-176.9	176.7	0	0	0	0	113.9	V81	V78-V81 WeakPolarHBondContact O-CB 3.33Å; V78-V81 PolarHBondContact O-N 3.19Å
79	D	29.1	Very low	27.9	Very low	134 Å²	134	137.3 Å²	137.3	72%	0.717	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-77.3	-20.4	-179.6	-63.3	-35.2	0	0	0	114.6	S77 V81	S77-D79 PolarHBondContact O-N 3.02Å; D79-V81 PolarHBondContact O-N 3Å
80	A	29.3	Very low	27.2	Very low	57 Å²	57	131.4 Å²	131.4	47%	0.471	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-73.9	-16.5	174.7	0	0	0	0	0	112.7	S77 Y82 T83	S77-A80 PolarHBondContact O-N 3.29Å; S77-A80 VanDerWaalsContact O-N 3.11Å; A80-Y82 VanDerWaalsContact C-N 3.28Å; A80-Y82 PolarHBondContact O-N 2.92Å; A80-T83 PolarHBondContact O-N 3.41Å
81	V	27.8	Very low	26.7	Very low	110 Å²	110	129.4 Å²	129.4	67%	0.667	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-71.3	-20.2	-173.8	-177.4	0	0	0	0	112.7	V78 D79 T83	V78-V81 WeakPolarHBondContact O-CB 3.33Å; V78-V81 PolarHBondContact O-N 3.19Å; D79-V81 PolarHBondContact O-N 3Å; V81-T83 VanDerWaalsContact C-N 3.33Å; V81-T83 PolarHBondContact O-N 2.92Å
82	Y	25.2	Very low	26.5	Very low	206 Å²	206	131.4 Å²	131.4	81%	0.808	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-83.5	-3.6	178.5	-78.7	-76	0	0	0	115	A80	A80-Y82 VanDerWaalsContact C-N 3.28Å; A80-Y82 PolarHBondContact O-N 2.92Å
83	T	23.8	Very low	26	Very low	106 Å²	106	136.1 Å²	136.1	65%	0.65	72%	0.722	S	S	*	*	S	Bend	trans	-124.4	78	170.5	50.4	0	0	0	0	109.8	A80 V81	A80-T83 PolarHBondContact O-N 3.41Å; V81-T83 VanDerWaalsContact C-N 3.33Å; V81-T83 PolarHBondContact O-N 2.92Å
84	W	24.4	Very low	25.8	Very low	220 Å²	220	137.1 Å²	137.1	83%	0.833	73%	0.728	S	S	*	*			trans	168.8	117.6	131	-86.8	23.1	0	0	0	110.5
85	P	26.1	Very low	25.5	Very low	110 Å²	110	139 Å²	139	71%	0.714	73%	0.729	S	S	*	*			trans	-85.7	124.7	179.9	30.9	-28.2	0	0	0	112.6
86	H	24	Very low	25.4	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.685	73%	0.727	S	S	*	*			trans	78.5	83.5	144.2	-55	-46.8	0	0	0	119.9	Y88	H86-Y88 HydrophobicContact CB-CD2 4.15Å; H86-Y88 HydrophobicContact CB-CE2 4.36Å; H86-Y88 AromaticContact ND1-CE2 3.4Å; H86-Y88 WeakPolarHBondContact ND1-CE2 3.42Å
87	C	22	Very low	25.1	Very low	127 Å²	127	140 Å²	140	86%	0.858	73%	0.728	S	S	*	*			trans	-73.3	128.7	135.3	-60.4	0	0	0	0	109.6
88	Y	23.3	Very low	25.2	Very low	182 Å²	182	138.9 Å²	138.9	71%	0.714	72%	0.715	S	S	*	*			trans	-135.1	109.5	159.3	-86.5	-72.6	0	0	0	111.2	H86	H86-Y88 HydrophobicContact CB-CD2 4.15Å; H86-Y88 HydrophobicContact CB-CE2 4.36Å; H86-Y88 AromaticContact ND1-CE2 3.4Å; H86-Y88 WeakPolarHBondContact ND1-CE2 3.42Å
89	I	21.8	Very low	25	Very low	178 Å²	178	138.4 Å²	138.4	91%	0.913	71%	0.714	S	S	*	*			trans	-89.1	123.9	157	-66.9	170.1	0	0	0	106
90	G	21.1	Very low	25.2	Very low	49 Å²	49	133 Å²	133	51%	0.505	69%	0.686	S	S	.	*			trans	174	98	176	0	0	0	0	0	116.2	C94	G90-C94 PolarHBondContact O-SG 3.32Å
91	N	22.6	Very low	25.6	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	70%	0.698	S	S	*	*			trans	68.3	147.2	143.9	-109.9	-31.1	0	0	0	121.4	K93 C94	N91-K93 PolarHBondContact O-N 3.12Å; N91-C94 PolarHBondContact O-N 3.4Å
92	K	31.6	Very low	26.5	Very low	206 Å²	206	135.6 Å²	135.6	90%	0.896	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	28.4	-165	-72.6	-180	173.7	173.5	0	118
93	K	25.8	Very low	28.2	Very low	208 Å²	208	127.2 Å²	127.2	90%	0.904	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	12.6	165.8	-77.3	-174.3	177.7	178.2	0	113.3	N91 K95	N91-K93 PolarHBondContact O-N 3.12Å; K93-K95 VanDerWaalsContact C-N 3.3Å; K93-K95 PolarHBondContact O-N 3.2Å
94	C	24.8	Very low	30	Very low	83 Å²	83	123.2 Å²	123.2	56%	0.561	64%	0.635	S	S	*	*			trans	-67.5	86.9	169.5	-87.9	0	0	0	0	111.1	G90 N91 Q96	G90-C94 PolarHBondContact O-SG 3.32Å; N91-C94 PolarHBondContact O-N 3.4Å; C94-Q96 HydrophobicContact CB-CG 4.22Å; C94-Q96 PolarHBondContact O-N 3.02Å
95	K	22.4	Very low	32.1	Very low	198 Å²	198	115.2 Å²	115.2	86%	0.861	61%	0.605	S	S	*	*			trans	-62.5	81.9	135.5	-77.3	-176.7	177.7	180	0	105.4	K93 T97	K93-K95 VanDerWaalsContact C-N 3.3Å; K93-K95 PolarHBondContact O-N 3.2Å; K95-T97 PolarHBondContact O-N 3.38Å
96	Q	24	Very low	34.3	Very low	140 Å²	140	113 Å²	113	65%	0.654	59%	0.587	S	S	*	*			trans	-63.4	93.3	166.8	-101.8	178.5	-9.9	0	0	106.2	C94 I98	C94-Q96 HydrophobicContact CB-CG 4.22Å; C94-Q96 PolarHBondContact O-N 3.02Å; Q96-I98 HydrophobicContact CB-CG1 4.43Å; Q96-I98 PolarHBondContact O-N 2.89Å
97	T	22.6	Very low	36.5	Very low	131 Å²	131	106.7 Å²	106.7	80%	0.804	56%	0.56	S	S	*	*			trans	-69.3	85.7	150.6	39.9	0	0	0	0	105.4	K95	K95-T97 PolarHBondContact O-N 3.38Å
98	I	27.3	Very low	38.9	Very low	59 Å²	59	102 Å²	102	30%	0.303	53%	0.526	S	S	.	.			trans	-52.1	127.7	161.8	-60.2	171.5	0	0	0	105.1	Q96 V100 H402	Q96-I98 HydrophobicContact CB-CG1 4.43Å; Q96-I98 PolarHBondContact O-N 2.89Å; I98-V100 WeakPolarHBondContact O-CG2 3.35Å; I98-V100 PolarHBondContact O-N 3.41Å; I98-H402 HydrophobicContact CD1-CB 4.15Å; I98-H402 WeakPolarHBondContact CD1-ND1 3.5Å
99	P	26	Very low	40.8	Very low	104 Å²	104	93.5 Å²	93.5	68%	0.675	49%	0.493	S	S	*	.			trans	-65.8	92.4	173.3	25.2	-29.7	0	0	0	107.9	K101	P99-K101 PolarHBondContact O-N 3.02Å
100	V	33	Very low	42.9	Very low	20 Å²	20	87.5 Å²	87.5	12%	0.121	46%	0.46	C	S	.	.			trans	-77.2	35.2	170.1	-159.7	0	0	0	0	110.2	I98 G102 Q103 R105 S121	I98-V100 WeakPolarHBondContact O-CG2 3.35Å; I98-V100 PolarHBondContact O-N 3.41Å; V100-G102 PolarHBondContact O-N 3.4Å; V100-Q103 HydrophobicContact CG1-CB 4.31Å; V100-R105 HydrophobicContact CG1-CG 4.32Å; V100-R105 VanDerWaalsContact CG1-NE 3.3Å; V100-S121 WeakPolarHBondContact CB-OG 3.28Å; V100-S121 WeakPolarHBondContact CG1-OG 3.28Å; V100-S121 PolarHBondContact O-OG 3.05Å
101	K	37.4	Very low	44.3	Very low	169 Å²	169	86.8 Å²	86.8	74%	0.735	45%	0.447	S	S	*	.	S	Bend	trans	-83	109.7	171.3	-75.4	-167.1	173.8	-177	0	105.8	P99	P99-K101 PolarHBondContact O-N 3.02Å
102	G	48.1	Very low	45.8	Very low	52 Å²	52	82.3 Å²	82.3	54%	0.536	42%	0.423	S	S	.	.	S	Bend	trans	104.2	-32.1	172.6	0	0	0	0	0	115.5	V100 I104	V100-G102 PolarHBondContact O-N 3.4Å; G102-I104 PolarHBondContact O-N 2.92Å
103	Q	61.4	Low	47.1	Very low	30 Å²	30	72.8 Å²	72.8	14%	0.14	38%	0.382	C	S	.	.			trans	-64.9	126.4	-178.3	-71.7	-174.9	-26.6	0	0	112.1	V100 R105 S120	V100-Q103 HydrophobicContact CG1-CB 4.31Å; Q103-R105 PolarHBondContact O-N 2.84Å; Q103-S120 WeakPolarHBondContact O-CB 3.33Å
104	I	61.2	Low	49	Very low	23 Å²	23	66.5 Å²	66.5	12%	0.118	36%	0.358	C	S	.	.			trans	-64.3	122.8	170.1	-55.1	177.2	0	0	0	107.7	G102 T118 I457 L480 D482	G102-I104 PolarHBondContact O-N 2.92Å; I104-T118 HydrophobicContact CD1-CG2 4.3Å; I104-T118 HydrophobicContact CG2-CG2 4.34Å; I104-I457 HydrophobicContact CB-CD1 4.06Å; I104-I457 HydrophobicContact CG2-CD1 3.41Å; I104-I457 VanDerWaalsContact CG2-CD1 3.41Å; I104-L480 HydrophobicContact CD1-CD2 4.42Å; I104-D482 WeakPolarHBondContact CD1-O 3.47Å
105	R	68.8	Low	51.4	Low	52 Å²	52	63.4 Å²	63.4	20%	0.196	34%	0.337	C	S	.	.			trans	-91.8	-41.4	178.8	-70.1	-175.7	172.7	-166	-3	112.5	V100 Q103 I119 S121	V100-R105 HydrophobicContact CG1-CG 4.32Å; V100-R105 VanDerWaalsContact CG1-NE 3.3Å; Q103-R105 PolarHBondContact O-N 2.84Å; R105-I119 HydrophobicContact CB-CG2 4.47Å; R105-I119 PolarHBondContact N-O 3.16Å; R105-S121 VanDerWaalsContact CZ-OG 3.26Å; R105-S121 PolarHBondContact NE-OG 3.33Å; R105-S121 PolarHBondContact NH2-OG 2.64Å
106	N	72.4	Confident	54	Low	64 Å²	64	54.2 Å²	54.2	34%	0.342	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153.7	179.6	-86.2	-38.6	0	0	0	109.9	I119 D164 I165	N106-I119 HydrophobicContact CB-CG2 4.13Å; N106-I119 PolarHBondContact O-N 3.4Å; N106-D164 PolarHBondContact ND2-OD1 3.29Å; N106-I165 HydrophobicContact CB-CG2 3.84Å
107	A	69.9	Low	56.9	Low	15 Å²	15	47.7 Å²	47.7	12%	0.124	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144.8	-179.7	0	0	0	0	0	111.1	L116 Y117 T118 I457 L480	A107-L116 HydrophobicContact CB-CD1 4.17Å; A107-Y117 CarbonylContact C-O 3.49Å; A107-Y117 VanDerWaalsContact CA-O 3.31Å; A107-Y117 WeakPolarHBondContact CA-O 3.01Å; A107-T118 HydrophobicContact CB-CG2 3.99Å; A107-I457 HydrophobicContact CB-CD1 4.48Å; A107-I457 HydrophobicContact CB-CG2 4.16Å; A107-L480 HydrophobicContact CB-CD1 3.3Å
108	L	71.1	Confident	59.7	Low	27 Å²	27	41.7 Å²	41.7	14%	0.141	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.7	177.7	-60.8	176.5	0	0	0	109.9	Y117 I165 S166 W167 L174	L108-Y117 PolarHBondContact N-O 2.71Å; L108-Y117 PolarHBondContact O-N 3.45Å; L108-I165 HydrophobicContact CD1-CB 4.4Å; L108-I165 HydrophobicContact CD1-CD1 4.04Å; L108-I165 HydrophobicContact CD1-CG1 3.66Å; L108-I165 HydrophobicContact CD1-CG2 4.22Å; L108-I165 HydrophobicContact CG-CG1 4.45Å; L108-I165 HydrophobicContact CG-CG2 4.16Å; L108-S166 VanDerWaalsContact CD1-C 3.43Å; L108-W167 HydrophobicContact CD1-CD2 4.48Å; L108-W167 HydrophobicContact CD1-CG 4.27Å; L108-L174 HydrophobicContact CD1-CD2 3.95Å
109	V	64.7	Low	62.4	Low	4 Å²	4	38.9 Å²	38.9	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.9	172	176.5	0	0	0	0	109.6	L116 W167 I459 W464	V109-L116 HydrophobicContact CG2-CD1 3.55Å; V109-W167 PolarHBondContact O-NE1 2.89Å; V109-I459 HydrophobicContact CG2-CD1 3.53Å; V109-I459 HydrophobicContact CG2-CG1 4.29Å; V109-I459 HydrophobicContact CG2-CG2 4.16Å; V109-W464 HydrophobicContact CG1-CZ3 3.9Å
110	Y	64.1	Low	65.1	Low	52 Å²	52	34.2 Å²	34.2	20%	0.204	19%	0.186	C	C	.	.			trans	-89.5	148.3	171.2	176.3	-138.3	0	0	0	111.9	N112 N113 S115 W167 G171	Y110-N112 VanDerWaalsContact C-N 3.34Å; Y110-N112 HydrophobicContact CD1-CB 4.05Å; Y110-N112 HydrophobicContact CE1-CB 3.77Å; Y110-N112 PolarHBondContact O-N 2.94Å; Y110-N113 VanDerWaalsContact O-CA 3.28Å; Y110-N113 WeakPolarHBondContact O-CA 3.46Å; Y110-N113 PolarHBondContact O-N 2.87Å; Y110-N113 PolarHBondContact O-OD1 2.83Å; Y110-N113 VanDerWaalsContact O-OD1 3.07Å; Y110-S115 PolarHBondContact N-O 2.95Å; Y110-S115 VanDerWaalsContact N-O 3.16Å; Y110-W167 HydrophobicContact CD2-CH2 4.21Å; Y110-W167 HydrophobicContact CD2-CZ2 4.26Å; Y110-W167 HydrophobicContact CG-CH2 4.22Å; Y110-W167 HydrophobicContact CG-CZ2 4.29Å; Y110-G171 WeakPolarHBondContact CE2-O 3.09Å
111	S	51.5	Low	67.4	Low	34 Å²	34	33.8 Å²	33.8	24%	0.238	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16	-174.4	65.3	0	0	0	0	116.9	N113 N465	S111-N113 WeakPolarHBondContact CA-OD1 3.48Å; S111-N113 PolarHBondContact O-N 3.29Å; S111-N113 PolarHBondContact O-OD1 3.24Å; S111-N465 VanDerWaalsContact O-O 3.14Å
112	N	52.9	Low	69.6	Low	58 Å²	58	28.9 Å²	28.9	31%	0.31	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-0.5	164	-75.6	10.2	0	0	0	111.4	Y110 N114 Q467	Y110-N112 VanDerWaalsContact C-N 3.34Å; Y110-N112 HydrophobicContact CD1-CB 4.05Å; Y110-N112 HydrophobicContact CE1-CB 3.77Å; Y110-N112 PolarHBondContact O-N 2.94Å; N112-N114 PolarHBondContact O-N 2.86Å; N112-Q467 HydrophobicContact CB-CB 4.42Å
113	N	59	Low	71.4	Confident	6 Å²	6	26.9 Å²	26.9	3%	0.032	14%	0.143	C	C	.	.	S	Bend	trans	50.2	29.9	163.4	-76.9	-1.1	0	0	0	114.3	Y110 S111 F129 W131 W464 N465	Y110-N113 VanDerWaalsContact O-CA 3.28Å; Y110-N113 WeakPolarHBondContact O-CA 3.46Å; Y110-N113 PolarHBondContact O-N 2.87Å; Y110-N113 PolarHBondContact O-OD1 2.83Å; Y110-N113 VanDerWaalsContact O-OD1 3.07Å; S111-N113 WeakPolarHBondContact CA-OD1 3.48Å; S111-N113 PolarHBondContact O-N 3.29Å; S111-N113 PolarHBondContact O-OD1 3.24Å; N113-F129 VanDerWaalsContact C-CZ 3.42Å; N113-F129 WeakPolarHBondContact O-CE2 3.28Å; N113-F129 VanDerWaalsContact O-CZ 3.3Å; N113-F129 WeakPolarHBondContact O-CZ 3.34Å; N113-W131 PolarHBondContact O-NE1 2.88Å; N113-W464 HydrophobicContact CB-CE3 3.93Å; N113-W464 VanDerWaalsContact ND2-C 3.28Å; N113-W464 WeakPolarHBondContact ND2-CA 3.27Å; N113-W464 WeakPolarHBondContact ND2-CB 3.13Å; N113-W464 VanDerWaalsContact ND2-CE3 3.34Å; N113-N465 WeakPolarHBondContact CB-O 3.47Å; N113-N465 PolarHBondContact ND2-N 2.84Å; N113-N465 PolarHBondContact ND2-O 2.95Å
114	N	65.6	Low	72.7	Confident	75 Å²	75	25.4 Å²	25.4	40%	0.401	14%	0.136	S	C	.	.	S	Bend	trans	-129.8	1.8	168.9	-72.2	-5.5	0	0	0	110.5	N112 T128 F129	N112-N114 PolarHBondContact O-N 2.86Å; N114-T128 CarbonylContact O-C 3.38Å; N114-T128 WeakPolarHBondContact O-CA 3.34Å; N114-T128 WeakPolarHBondContact O-CB 3.43Å; N114-F129 VanDerWaalsContact C-CZ 3.46Å; N114-F129 VanDerWaalsContact CA-CE2 3.46Å; N114-F129 VanDerWaalsContact CA-CZ 3.44Å; N114-F129 WeakPolarHBondContact O-CD1 3.42Å; N114-F129 PolarHBondContact O-N 3.25Å; N114-F129 VanDerWaalsContact O-N 3.08Å
115	S	75.5	Confident	73.9	Confident	18 Å²	18	26.5 Å²	26.5	13%	0.126	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.8	-175.2	-52.3	0	0	0	0	111.1	Y110 F127	Y110-S115 PolarHBondContact N-O 2.95Å; Y110-S115 VanDerWaalsContact N-O 3.16Å; S115-F127 CarbonylContact C-O 3.54Å; S115-F127 WeakPolarHBondContact CA-O 3.4Å
116	L	78.1	Confident	74.6	Confident	6 Å²	6	24.2 Å²	24.2	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123	175.7	178.6	75.1	0	0	0	108.3	A107 V109 T118 M126 F127 F129 L146 I459 L480	A107-L116 HydrophobicContact CB-CD1 4.17Å; V109-L116 HydrophobicContact CG2-CD1 3.55Å; L116-T118 HydrophobicContact CD2-CG2 3.62Å; L116-T118 HydrophobicContact CG-CG2 3.74Å; L116-M126 WeakPolarHBondContact O-CA 3.48Å; L116-F127 HydrophobicContact CB-CB 4.4Å; L116-F127 HydrophobicContact CD2-CD2 4.41Å; L116-F127 PolarHBondContact N-O 3.45Å; L116-F127 PolarHBondContact O-N 2.9Å; L116-F129 HydrophobicContact CB-CD1 4.43Å; L116-F129 HydrophobicContact CB-CE1 4.01Å; L116-L146 HydrophobicContact CD2-CD1 4.41Å; L116-L146 HydrophobicContact CD2-CD2 4.47Å; L116-I459 HydrophobicContact CD1-CD1 3.93Å; L116-L480 HydrophobicContact CD1-CD1 4.2Å; L116-L480 HydrophobicContact CD2-CD1 3.95Å; L116-L480 HydrophobicContact CD2-CD2 3.46Å; L116-L480 VanDerWaalsContact CD2-CD2 3.46Å; L116-L480 HydrophobicContact CD2-CG 4.29Å
117	Y	83.5	Confident	74.8	Confident	3 Å²	3	22.1 Å²	22.1	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.1	171.4	-63	-84.1	0	0	0	108.7	A107 L108 K125 M126 W167 L174 V191 Y196	A107-Y117 CarbonylContact C-O 3.49Å; A107-Y117 VanDerWaalsContact CA-O 3.31Å; A107-Y117 WeakPolarHBondContact CA-O 3.01Å; L108-Y117 PolarHBondContact N-O 2.71Å; L108-Y117 PolarHBondContact O-N 3.45Å; Y117-K125 CarbonylContact C-O 3.58Å; Y117-K125 WeakPolarHBondContact CA-O 3.09Å; Y117-M126 HydrophobicContact CD1-CB 4.06Å; Y117-M126 HydrophobicContact CD1-CG 4.14Å; Y117-M126 HydrophobicContact CE1-CB 3.96Å; Y117-M126 HydrophobicContact CE1-CG 3.75Å; Y117-M126 HydrophobicContact CE1-SD 3.62Å; Y117-W167 HydrophobicContact CD2-CH2 4.07Å; Y117-W167 HydrophobicContact CD2-CZ2 4.09Å; Y117-W167 AromaticContact CE2-CH2 3.9Å; Y117-W167 HydrophobicContact CE2-CH2 3.9Å; Y117-W167 HydrophobicContact CE2-CZ2 4.26Å; Y117-L174 HydrophobicContact CD1-CD1 3.95Å; Y117-L174 HydrophobicContact CE1-CD1 4.34Å; Y117-L174 HydrophobicContact CG-CD1 4.2Å; Y117-V191 HydrophobicContact CE1-CG1 4.31Å; Y117-Y196 HydrophobicContact CD1-CE1 4.49Å; Y117-Y196 AromaticContact CE1-CE1 3.93Å; Y117-Y196 HydrophobicContact CE1-CE1 3.93Å
118	T	82.5	Confident	75.1	Confident	4 Å²	4	23.4 Å²	23.4	3%	0.025	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.7	176.1	80.1	0	0	0	0	110.4	I104 A107 L116 L124 K125 F127	I104-T118 HydrophobicContact CD1-CG2 4.3Å; I104-T118 HydrophobicContact CG2-CG2 4.34Å; A107-T118 HydrophobicContact CB-CG2 3.99Å; L116-T118 HydrophobicContact CD2-CG2 3.62Å; L116-T118 HydrophobicContact CG-CG2 3.74Å; T118-L124 WeakPolarHBondContact O-CA 3.4Å; T118-K125 PolarHBondContact N-O 3.37Å; T118-K125 PolarHBondContact O-N 2.89Å; T118-F127 HydrophobicContact CG2-CD2 3.9Å; T118-F127 HydrophobicContact CG2-CE2 3.85Å; T118-F127 WeakPolarHBondContact OG1-CE2 3.49Å
119	I	83.5	Confident	74.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.7	177.9	-154.5	160.9	0	0	0	111.1	R105 N106 F162 I165 L176	R105-I119 HydrophobicContact CB-CG2 4.47Å; R105-I119 PolarHBondContact N-O 3.16Å; N106-I119 HydrophobicContact CB-CG2 4.13Å; N106-I119 PolarHBondContact O-N 3.4Å; I119-F162 HydrophobicContact CD1-CB 3.4Å; I119-F162 VanDerWaalsContact CD1-CB 3.4Å; I119-F162 HydrophobicContact CD1-CD1 3.96Å; I119-F162 HydrophobicContact CD1-CD2 4.31Å; I119-F162 HydrophobicContact CD1-CG 3.64Å; I119-F162 HydrophobicContact CG1-CB 3.48Å; I119-F162 VanDerWaalsContact CG1-CB 3.48Å; I119-F162 HydrophobicContact CG1-CD2 4.07Å; I119-F162 HydrophobicContact CG1-CG 3.82Å; I119-I165 HydrophobicContact CB-CB 4.2Å; I119-I165 HydrophobicContact CB-CG2 4.04Å; I119-I165 HydrophobicContact CD1-CB 3.95Å; I119-I165 HydrophobicContact CG2-CB 3.96Å; I119-I165 HydrophobicContact CG2-CG2 3.55Å; I119-L176 HydrophobicContact CD1-CD2 3.59Å
120	S	82.8	Confident	74.7	Confident	7 Å²	7	28 Å²	28	5%	0.049	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	172	164.6	68.6	0	0	0	0	108.3	Q103 N122 S123 F162	Q103-S120 WeakPolarHBondContact O-CB 3.33Å; S120-N122 PolarHBondContact O-N 2.9Å; S120-S123 PolarHBondContact N-O 3.46Å; S120-S123 PolarHBondContact O-N 3.21Å; S120-S123 PolarHBondContact OG-N 3.49Å; S120-S123 VanDerWaalsContact OG-N 3.15Å; S120-S123 PolarHBondContact OG-O 2.88Å; S120-S123 PolarHBondContact OG-OG 2.82Å; S120-F162 WeakPolarHBondContact O-CB 3.1Å
121	S	80.6	Confident	74.5	Confident	10 Å²	10	28.8 Å²	28.8	7%	0.07	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-30.9	178.7	-41.9	0	0	0	0	113.6	V100 R105 R161 F162	V100-S121 WeakPolarHBondContact CB-OG 3.28Å; V100-S121 WeakPolarHBondContact CG1-OG 3.28Å; V100-S121 PolarHBondContact O-OG 3.05Å; R105-S121 VanDerWaalsContact CZ-OG 3.26Å; R105-S121 PolarHBondContact NE-OG 3.33Å; R105-S121 PolarHBondContact NH2-OG 2.64Å; S121-R161 CarbonylContact O-C 3.56Å; S121-R161 VanDerWaalsContact O-CA 3.24Å; S121-R161 WeakPolarHBondContact O-CA 3.21Å; S121-R161 VanDerWaalsContact O-CB 3.3Å; S121-R161 WeakPolarHBondContact O-CB 3.26Å; S121-F162 PolarHBondContact O-N 2.85Å
122	N	84.5	Confident	74.5	Confident	66 Å²	66	30.3 Å²	30.3	35%	0.353	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	1.6	-168.8	-57.7	-24.4	0	0	0	113.9	S120 L153 P154	S120-N122 PolarHBondContact O-N 2.9Å; N122-L153 WeakPolarHBondContact O-CD2 3.18Å; N122-P154 VanDerWaalsContact C-CD 3.45Å; N122-P154 WeakPolarHBondContact O-CD 3.26Å
123	S	86.6	Confident	74.4	Confident	10 Å²	10	32.8 Å²	32.8	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	141.3	177.1	56.6	0	0	0	0	112.1	S120 Q151 I152	S120-S123 PolarHBondContact N-O 3.46Å; S120-S123 PolarHBondContact O-N 3.21Å; S120-S123 PolarHBondContact OG-N 3.49Å; S120-S123 VanDerWaalsContact OG-N 3.15Å; S120-S123 PolarHBondContact OG-O 2.88Å; S120-S123 PolarHBondContact OG-OG 2.82Å; S123-Q151 VanDerWaalsContact CB-NE2 3.32Å; S123-I152 WeakPolarHBondContact CA-O 3.27Å
124	L	87.8	Confident	74	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.7	158.7	168.7	65.6	0	0	0	106	T118 Q151 I152 F162 I165 L174 L176 L189 Y196	T118-L124 WeakPolarHBondContact O-CA 3.4Å; L124-Q151 WeakPolarHBondContact O-CA 3.41Å; L124-I152 HydrophobicContact CB-CB 4.28Å; L124-I152 HydrophobicContact CD2-CD1 3.97Å; L124-I152 PolarHBondContact N-O 3.49Å; L124-I152 PolarHBondContact O-N 3.31Å; L124-F162 HydrophobicContact CB-CD2 4.47Å; L124-F162 HydrophobicContact CB-CE2 3.94Å; L124-F162 HydrophobicContact CB-CZ 4.14Å; L124-F162 VanDerWaalsContact N-CE2 3.34Å; L124-I165 HydrophobicContact CD1-CD1 3.59Å; L124-L174 HydrophobicContact CD2-CD1 4.37Å; L124-L176 HydrophobicContact CD1-CD2 4.44Å; L124-L176 HydrophobicContact CD2-CD1 4.11Å; L124-L176 HydrophobicContact CD2-CD2 4.35Å; L124-L189 HydrophobicContact CD2-CD1 3.94Å; L124-Y196 HydrophobicContact CD2-CE1 4.5Å
125	K	85.5	Confident	73.4	Confident	46 Å²	46	38.2 Å²	38.2	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.7	-179.7	-68.3	-174.5	170.7	-157	0	110.3	Y117 T118 F127 E148 Q151	Y117-K125 CarbonylContact C-O 3.58Å; Y117-K125 WeakPolarHBondContact CA-O 3.09Å; T118-K125 PolarHBondContact N-O 3.37Å; T118-K125 PolarHBondContact O-N 2.89Å; K125-F127 HydrophobicContact CB-CD2 4.28Å; K125-F127 HydrophobicContact CB-CE2 3.62Å; K125-F127 HydrophobicContact CB-CZ 3.92Å; K125-F127 HydrophobicContact CD-CE1 4.43Å; K125-F127 HydrophobicContact CD-CE2 4.1Å; K125-F127 HydrophobicContact CD-CZ 3.6Å; K125-F127 HydrophobicContact CG-CZ 4.43Å; K125-E148 WeakPolarHBondContact CE-OE1 3.44Å; K125-E148 WeakPolarHBondContact CE-OE2 3.24Å; K125-E148 IonicContact NZ-OE1 3.85Å; K125-E148 IonicContact NZ-OE2 3.21Å; K125-E148 PolarHBondContact NZ-OE2 3.19Å; K125-Q151 HydrophobicContact CG-CG 4.11Å
126	M	83.6	Confident	72.3	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126	165.6	-175.7	178.6	81.1	0	0	108.7	L116 Y117 T149 N150 E194 Y196	L116-M126 WeakPolarHBondContact O-CA 3.48Å; Y117-M126 HydrophobicContact CD1-CB 4.06Å; Y117-M126 HydrophobicContact CD1-CG 4.14Å; Y117-M126 HydrophobicContact CE1-CB 3.96Å; Y117-M126 HydrophobicContact CE1-CG 3.75Å; Y117-M126 HydrophobicContact CE1-SD 3.62Å; M126-T149 WeakPolarHBondContact CE-OG1 3.4Å; M126-T149 PolarHBondContact O-N 3.43Å; M126-T149 PolarHBondContact O-OG1 3.04Å; M126-N150 HydrophobicContact CB-CB 4.44Å; M126-N150 HydrophobicContact CE-CB 4.36Å; M126-N150 PolarHBondContact N-O 2.9Å; M126-N150 PolarHBondContact O-N 2.85Å; M126-E194 HydrophobicContact CE-CB 4.29Å; M126-E194 HydrophobicContact CE-CG 3.52Å; M126-Y196 WeakPolarHBondContact CB-OH 3.36Å
127	F	78.1	Confident	71.1	Confident	21 Å²	21	44.1 Å²	44.1	9%	0.092	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.9	171.6	-57.5	-85.6	0	0	0	109.7	S115 L116 T118 K125 L146 S147 E148	S115-F127 CarbonylContact C-O 3.54Å; S115-F127 WeakPolarHBondContact CA-O 3.4Å; L116-F127 HydrophobicContact CB-CB 4.4Å; L116-F127 HydrophobicContact CD2-CD2 4.41Å; L116-F127 PolarHBondContact N-O 3.45Å; L116-F127 PolarHBondContact O-N 2.9Å; T118-F127 HydrophobicContact CG2-CD2 3.9Å; T118-F127 HydrophobicContact CG2-CE2 3.85Å; T118-F127 WeakPolarHBondContact OG1-CE2 3.49Å; K125-F127 HydrophobicContact CB-CD2 4.28Å; K125-F127 HydrophobicContact CB-CE2 3.62Å; K125-F127 HydrophobicContact CB-CZ 3.92Å; K125-F127 HydrophobicContact CD-CE1 4.43Å; K125-F127 HydrophobicContact CD-CE2 4.1Å; K125-F127 HydrophobicContact CD-CZ 3.6Å; K125-F127 HydrophobicContact CG-CZ 4.43Å; F127-L146 HydrophobicContact CB-CB 4.07Å; F127-L146 HydrophobicContact CB-CD1 4.21Å; F127-L146 HydrophobicContact CB-CD2 3.76Å; F127-L146 HydrophobicContact CB-CG 4.24Å; F127-L146 HydrophobicContact CD1-CB 3.53Å; F127-L146 HydrophobicContact CD1-CD1 3.92Å; F127-L146 HydrophobicContact CD1-CG 4.26Å; F127-L146 HydrophobicContact CD2-CD1 4.04Å; F127-L146 HydrophobicContact CE1-CB 4.14Å; F127-L146 HydrophobicContact CE1-CD1 4.2Å; F127-L146 HydrophobicContact CE2-CD1 4.33Å; F127-L146 HydrophobicContact CG-CB 3.97Å; F127-L146 HydrophobicContact CG-CD1 3.8Å; F127-L146 HydrophobicContact CG-CD2 4.29Å; F127-L146 HydrophobicContact CG-CG 4.25Å; F127-L146 HydrophobicContact CZ-CD1 4.39Å; F127-S147 WeakPolarHBondContact CA-O 3.43Å; F127-E148 HydrophobicContact CD1-CB 3.89Å; F127-E148 HydrophobicContact CD1-CG 4.39Å; F127-E148 HydrophobicContact CE1-CB 3.79Å; F127-E148 HydrophobicContact CE1-CG 4.13Å
128	T	74.5	Confident	69.7	Low	42 Å²	42	49.7 Å²	49.7	26%	0.258	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.6	166.3	56.9	0	0	0	0	111.3	N114 S147 T149	N114-T128 CarbonylContact O-C 3.38Å; N114-T128 WeakPolarHBondContact O-CA 3.34Å; N114-T128 WeakPolarHBondContact O-CB 3.43Å; T128-S147 PolarHBondContact N-O 2.97Å; T128-S147 PolarHBondContact O-N 2.64Å; T128-T149 HydrophobicContact CG2-CG2 3.65Å; T128-T149 WeakPolarHBondContact OG1-CG2 3.46Å
129	F	66.8	Low	68.3	Low	15 Å²	15	58.7 Å²	58.7	7%	0.066	33%	0.329	C	S	.	.			trans	-127.6	137.9	176.7	43.4	-86.4	0	0	0	109.7	N113 N114 L116 W131	N113-F129 VanDerWaalsContact C-CZ 3.42Å; N113-F129 WeakPolarHBondContact O-CE2 3.28Å; N113-F129 VanDerWaalsContact O-CZ 3.3Å; N113-F129 WeakPolarHBondContact O-CZ 3.34Å; N114-F129 VanDerWaalsContact C-CZ 3.46Å; N114-F129 VanDerWaalsContact CA-CE2 3.46Å; N114-F129 VanDerWaalsContact CA-CZ 3.44Å; N114-F129 WeakPolarHBondContact O-CD1 3.42Å; N114-F129 PolarHBondContact O-N 3.25Å; N114-F129 VanDerWaalsContact O-N 3.08Å; L116-F129 HydrophobicContact CB-CD1 4.43Å; L116-F129 HydrophobicContact CB-CE1 4.01Å; F129-W131 AromaticContact CD2-CD2 3.86Å; F129-W131 HydrophobicContact CD2-CD2 3.86Å; F129-W131 AromaticContact CD2-CE2 3.31Å; F129-W131 HydrophobicContact CD2-CE3 4.22Å; F129-W131 AromaticContact CD2-CH2 3.71Å; F129-W131 HydrophobicContact CD2-CH2 3.71Å; F129-W131 AromaticContact CD2-CZ2 3.34Å; F129-W131 HydrophobicContact CD2-CZ2 3.34Å; F129-W131 HydrophobicContact CD2-CZ3 4.12Å; F129-W131 AromaticContact CD2-NE1 3.59Å; F129-W131 HydrophobicContact CE2-CD2 4.31Å; F129-W131 AromaticContact CE2-CE2 3.32Å; F129-W131 AromaticContact CE2-CH2 3.67Å; F129-W131 HydrophobicContact CE2-CH2 3.67Å; F129-W131 AromaticContact CE2-CZ2 3.03Å; F129-W131 HydrophobicContact CE2-CZ2 3.03Å; F129-W131 AromaticContact CE2-NE1 3.51Å; F129-W131 HydrophobicContact CZ-CZ2 4.09Å
130	N	62.2	Low	66.8	Low	113 Å²	113	62.8 Å²	62.8	60%	0.604	35%	0.351	S	S	*	.			trans	-111.6	107.9	171.8	-175.5	-3.6	0	0	0	108.1	G132 V133	N130-G132 PolarHBondContact O-N 3.02Å; N130-G132 PolarHBondContact OD1-N 2.88Å; N130-V133 PolarHBondContact O-N 3.14Å
131	W	58.4	Low	65.4	Low	68 Å²	68	63.3 Å²	63.3	26%	0.258	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-12.5	-176.8	-58.3	116.2	0	0	0	114.4	N113 F129 F144 W464 P475 L478	N113-W131 PolarHBondContact O-NE1 2.88Å; F129-W131 AromaticContact CD2-CD2 3.86Å; F129-W131 HydrophobicContact CD2-CD2 3.86Å; F129-W131 AromaticContact CD2-CE2 3.31Å; F129-W131 HydrophobicContact CD2-CE3 4.22Å; F129-W131 AromaticContact CD2-CH2 3.71Å; F129-W131 HydrophobicContact CD2-CH2 3.71Å; F129-W131 AromaticContact CD2-CZ2 3.34Å; F129-W131 HydrophobicContact CD2-CZ2 3.34Å; F129-W131 HydrophobicContact CD2-CZ3 4.12Å; F129-W131 AromaticContact CD2-NE1 3.59Å; F129-W131 HydrophobicContact CE2-CD2 4.31Å; F129-W131 AromaticContact CE2-CE2 3.32Å; F129-W131 AromaticContact CE2-CH2 3.67Å; F129-W131 HydrophobicContact CE2-CH2 3.67Å; F129-W131 AromaticContact CE2-CZ2 3.03Å; F129-W131 HydrophobicContact CE2-CZ2 3.03Å; F129-W131 AromaticContact CE2-NE1 3.51Å; F129-W131 HydrophobicContact CZ-CZ2 4.09Å; W131-F144 HydrophobicContact CE3-CE1 4.16Å; W131-F144 HydrophobicContact CE3-CE2 4.11Å; W131-F144 AromaticContact CE3-CZ 3.82Å; W131-F144 HydrophobicContact CE3-CZ 3.82Å; W131-F144 HydrophobicContact CZ3-CE2 4.2Å; W131-F144 HydrophobicContact CZ3-CZ 4.38Å; W131-W464 HydrophobicContact CH2-CH2 4.43Å; W131-W464 HydrophobicContact CZ2-CD2 4.49Å; W131-W464 HydrophobicContact CZ2-CE3 4.08Å; W131-W464 HydrophobicContact CZ2-CH2 4.34Å; W131-W464 AromaticContact CZ2-CZ3 4Å; W131-W464 HydrophobicContact CZ2-CZ3 4Å; W131-P475 HydrophobicContact CE3-CG 4.43Å; W131-P475 HydrophobicContact CH2-CG 3.4Å; W131-P475 VanDerWaalsContact CH2-CG 3.4Å; W131-P475 HydrophobicContact CZ2-CG 4.25Å; W131-P475 HydrophobicContact CZ3-CG 3.52Å; W131-L478 HydrophobicContact CH2-CD1 4.43Å; W131-L478 HydrophobicContact CH2-CD2 4.11Å; W131-L478 HydrophobicContact CZ3-CD2 4.39Å
132	G	53	Low	64.4	Low	66 Å²	66	64.9 Å²	64.9	68%	0.68	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.2	179	0	0	0	0	0	116.2	N130	N130-G132 PolarHBondContact O-N 3.02Å; N130-G132 PolarHBondContact OD1-N 2.88Å
133	V	50.5	Low	63.1	Low	110 Å²	110	66 Å²	66	67%	0.667	36%	0.363	S	S	*	.			trans	-115	90.8	-178.1	-173.2	0	0	0	0	108.8	N130 F144	N130-V133 PolarHBondContact O-N 3.14Å; V133-F144 VanDerWaalsContact O-CD1 3.24Å; V133-F144 WeakPolarHBondContact O-CD1 3.39Å
134	C	50.9	Low	61.8	Low	67 Å²	67	66.4 Å²	66.4	45%	0.453	36%	0.364	S	S	.	.			trans	-124.4	139.1	-178	61.7	0	0	0	0	111.9	T142 F144	C134-T142 HydrophobicContact CB-CG2 4.23Å; C134-F144 HydrophobicContact CB-CD1 4.29Å; C134-F144 HydrophobicContact CB-CE1 3.61Å; C134-F144 HydrophobicContact CB-CE2 4.27Å; C134-F144 HydrophobicContact CB-CZ 3.61Å
135	E	52	Low	60.3	Low	128 Å²	128	74.8 Å²	74.8	60%	0.598	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.1	162	-70	-175.4	163.4	0	0	108.6	L137 T142 R143	E135-L137 PolarHBondContact O-N 2.86Å; E135-T142 WeakPolarHBondContact O-CA 3.27Å; E135-R143 PolarHBondContact N-O 2.96Å; E135-R143 VanDerWaalsContact N-O 3.12Å; E135-R143 PolarHBondContact O-N 3.1Å
136	S	52.8	Low	59.2	Low	93 Å²	93	73.9 Å²	73.9	65%	0.65	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	116.1	170.7	179.9	0	0	0	0	108.8	N138	S136-N138 PolarHBondContact OG-O 2.84Å
137	L	52.1	Low	58.6	Low	55 Å²	55	77.2 Å²	77.2	29%	0.288	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-47.2	173.7	-78.3	169.3	0	0	0	110.4	E135 S141 R143 Y486	E135-L137 PolarHBondContact O-N 2.86Å; L137-S141 PolarHBondContact N-O 2.89Å; L137-R143 HydrophobicContact CD1-CB 3.67Å; L137-R143 HydrophobicContact CD1-CG 4.44Å; L137-R143 HydrophobicContact CD2-CB 4.42Å; L137-R143 HydrophobicContact CG-CB 3.8Å; L137-Y486 HydrophobicContact CD1-CD1 4.23Å; L137-Y486 HydrophobicContact CD1-CE1 4.47Å
138	N	54	Low	58.5	Low	120 Å²	120	80.1 Å²	80.1	64%	0.642	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.6	176.4	177.3	-72.2	-24.3	0	0	0	109.3	S136 N140 S141	S136-N138 PolarHBondContact OG-O 2.84Å; N138-N140 PolarHBondContact O-N 3.49Å; N138-S141 PolarHBondContact N-O 2.64Å; N138-S141 PolarHBondContact O-N 2.95Å
139	E	53.6	Low	58.6	Low	193 Å²	193	80.2 Å²	80.2	90%	0.902	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-29.7	-178.9	-67.6	-176.4	171.2	0	0	114.8
140	N	53	Low	59.4	Low	86 Å²	86	81.8 Å²	81.8	46%	0.46	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	6.2	-174.8	-61.6	-14	0	0	0	114.3	N138 Y441	N138-N140 PolarHBondContact O-N 3.49Å; N140-Y441 HydrophobicContact CB-CE1 4.47Å
141	S	53.9	Low	60.5	Low	18 Å²	18	80.2 Å²	80.2	13%	0.126	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.2	-177	63.7	0	0	0	0	113.1	L137 N138	L137-S141 PolarHBondContact N-O 2.89Å; N138-S141 PolarHBondContact N-O 2.64Å; N138-S141 PolarHBondContact O-N 2.95Å
142	T	59.1	Low	61.9	Low	43 Å²	43	77.6 Å²	77.6	26%	0.264	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.6	176	51.1	0	0	0	0	109.3	C134 E135 F144 C487	C134-T142 HydrophobicContact CB-CG2 4.23Å; E135-T142 WeakPolarHBondContact O-CA 3.27Å; T142-F144 WeakPolarHBondContact OG1-CE2 3.5Å; T142-C487 PolarHBondContact N-O 2.91Å; T142-C487 VanDerWaalsContact N-O 3.12Å; T142-C487 WeakPolarHBondContact O-CB 3.44Å; T142-C487 PolarHBondContact O-N 3.26Å; T142-C487 VanDerWaalsContact O-N 3.11Å
143	R	57.3	Low	63.6	Low	88 Å²	88	77.9 Å²	77.9	33%	0.332	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.2	172.4	-175	175.4	166.2	-159.7	-11.5	109.7	E135 L137 Y484	E135-R143 PolarHBondContact N-O 2.96Å; E135-R143 VanDerWaalsContact N-O 3.12Å; E135-R143 PolarHBondContact O-N 3.1Å; L137-R143 HydrophobicContact CD1-CB 3.67Å; L137-R143 HydrophobicContact CD1-CG 4.44Å; L137-R143 HydrophobicContact CD2-CB 4.42Å; L137-R143 HydrophobicContact CG-CB 3.8Å; R143-Y484 VanDerWaalsContact NH2-CE1 3.34Å
144	F	58.2	Low	65.2	Low	19 Å²	19	73 Å²	73	8%	0.083	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143	171.1	-65.2	-93.6	0	0	0	109.3	W131 V133 C134 T142 C487	W131-F144 HydrophobicContact CE3-CE1 4.16Å; W131-F144 HydrophobicContact CE3-CE2 4.11Å; W131-F144 AromaticContact CE3-CZ 3.82Å; W131-F144 HydrophobicContact CE3-CZ 3.82Å; W131-F144 HydrophobicContact CZ3-CE2 4.2Å; W131-F144 HydrophobicContact CZ3-CZ 4.38Å; V133-F144 VanDerWaalsContact O-CD1 3.24Å; V133-F144 WeakPolarHBondContact O-CD1 3.39Å; C134-F144 HydrophobicContact CB-CD1 4.29Å; C134-F144 HydrophobicContact CB-CE1 3.61Å; C134-F144 HydrophobicContact CB-CE2 4.27Å; C134-F144 HydrophobicContact CB-CZ 3.61Å; T142-F144 WeakPolarHBondContact OG1-CE2 3.5Å; F144-C487 HydrophobicContact CD2-CB 4.04Å; F144-C487 WeakPolarHBondContact CD2-SG 3.4Å; F144-C487 HydrophobicContact CE2-CB 3.81Å; F144-C487 VanDerWaalsContact CE2-SG 3.52Å
145	E	57.6	Low	66.9	Low	176 Å²	176	75 Å²	75	82%	0.822	39%	0.393	S	S	*	.			trans	-85	127.4	163.8	-168.6	171.4	-173.2	0	0	108.4	S147	E145-S147 PolarHBondContact O-N 3.41Å
146	L	62.4	Low	68.5	Low	28 Å²	28	75 Å²	75	15%	0.147	39%	0.394	C	S	.	.			trans	-75.6	122.7	173.6	-74.3	177.6	0	0	0	108.9	L116 F127 E148 L480 V485	L116-L146 HydrophobicContact CD2-CD1 4.41Å; L116-L146 HydrophobicContact CD2-CD2 4.47Å; F127-L146 HydrophobicContact CB-CB 4.07Å; F127-L146 HydrophobicContact CB-CD1 4.21Å; F127-L146 HydrophobicContact CB-CD2 3.76Å; F127-L146 HydrophobicContact CB-CG 4.24Å; F127-L146 HydrophobicContact CD1-CB 3.53Å; F127-L146 HydrophobicContact CD1-CD1 3.92Å; F127-L146 HydrophobicContact CD1-CG 4.26Å; F127-L146 HydrophobicContact CD2-CD1 4.04Å; F127-L146 HydrophobicContact CE1-CB 4.14Å; F127-L146 HydrophobicContact CE1-CD1 4.2Å; F127-L146 HydrophobicContact CE2-CD1 4.33Å; F127-L146 HydrophobicContact CG-CB 3.97Å; F127-L146 HydrophobicContact CG-CD1 3.8Å; F127-L146 HydrophobicContact CG-CD2 4.29Å; F127-L146 HydrophobicContact CG-CG 4.25Å; F127-L146 HydrophobicContact CZ-CD1 4.39Å; L146-E148 PolarHBondContact O-N 2.69Å; L146-L480 HydrophobicContact CD1-CD2 4.35Å; L146-V485 HydrophobicContact CD1-CG2 3.35Å; L146-V485 HydrophobicContact CD2-CG2 3.59Å; L146-V485 HydrophobicContact CG-CB 4.41Å; L146-V485 HydrophobicContact CG-CG2 3.38Å
147	S	70.2	Confident	70.2	Confident	72 Å²	72	71.7 Å²	71.7	50%	0.503	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	109.3	166.5	-54.9	0	0	0	0	108.7	F127 T128 E145 T149	F127-S147 WeakPolarHBondContact CA-O 3.43Å; T128-S147 PolarHBondContact N-O 2.97Å; T128-S147 PolarHBondContact O-N 2.64Å; E145-S147 PolarHBondContact O-N 3.41Å; S147-T149 PolarHBondContact O-N 2.83Å
148	E	75.7	Confident	71.7	Confident	82 Å²	82	71.9 Å²	71.9	38%	0.383	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	120.5	168.7	-171	168.3	159.8	0	0	108.4	K125 F127 L146 Q151	K125-E148 WeakPolarHBondContact CE-OE1 3.44Å; K125-E148 WeakPolarHBondContact CE-OE2 3.24Å; K125-E148 IonicContact NZ-OE1 3.85Å; K125-E148 IonicContact NZ-OE2 3.21Å; K125-E148 PolarHBondContact NZ-OE2 3.19Å; F127-E148 HydrophobicContact CD1-CB 3.89Å; F127-E148 HydrophobicContact CD1-CG 4.39Å; F127-E148 HydrophobicContact CE1-CB 3.79Å; F127-E148 HydrophobicContact CE1-CG 4.13Å; L146-E148 PolarHBondContact O-N 2.69Å; E148-Q151 WeakPolarHBondContact OE1-CB 3.43Å
149	T	77.8	Confident	73.3	Confident	45 Å²	45	66.4 Å²	66.4	28%	0.276	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-34.2	-177.8	42	0	0	0	0	111.4	M126 T128 S147	M126-T149 WeakPolarHBondContact CE-OG1 3.4Å; M126-T149 PolarHBondContact O-N 3.43Å; M126-T149 PolarHBondContact O-OG1 3.04Å; T128-T149 HydrophobicContact CG2-CG2 3.65Å; T128-T149 WeakPolarHBondContact OG1-CG2 3.46Å; S147-T149 PolarHBondContact O-N 2.83Å
150	N	82.4	Confident	74.7	Confident	48 Å²	48	62.3 Å²	62.3	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	148.7	178	-155.6	-17.4	0	0	0	112.2	M126 E194 Y196	M126-N150 HydrophobicContact CB-CB 4.44Å; M126-N150 HydrophobicContact CE-CB 4.36Å; M126-N150 PolarHBondContact N-O 2.9Å; M126-N150 PolarHBondContact O-N 2.85Å; N150-E194 PolarHBondContact ND2-O 3.22Å; N150-Y196 HydrophobicContact CB-CE2 4.19Å; N150-Y196 WeakPolarHBondContact ND2-CE2 3.33Å
151	Q	86.1	Confident	76.3	Confident	80 Å²	80	61.5 Å²	61.5	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.3	177.9	-170.9	179.2	32.4	0	0	110.2	S123 L124 K125 E148	S123-Q151 VanDerWaalsContact CB-NE2 3.32Å; L124-Q151 WeakPolarHBondContact O-CA 3.41Å; K125-Q151 HydrophobicContact CG-CG 4.11Å; E148-Q151 WeakPolarHBondContact OE1-CB 3.43Å
152	I	87.3	Confident	77.9	Confident	13 Å²	13	60.7 Å²	60.7	7%	0.067	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.1	169	-58.5	169.1	0	0	0	109.3	S123 L124 Q156 L157 L189 Y196	S123-I152 WeakPolarHBondContact CA-O 3.27Å; L124-I152 HydrophobicContact CB-CB 4.28Å; L124-I152 HydrophobicContact CD2-CD1 3.97Å; L124-I152 PolarHBondContact N-O 3.49Å; L124-I152 PolarHBondContact O-N 3.31Å; I152-Q156 VanDerWaalsContact CA-OE1 3.31Å; I152-Q156 HydrophobicContact CG2-CB 4.21Å; I152-L157 HydrophobicContact CG2-CD1 3.9Å; I152-L157 HydrophobicContact CG2-CD2 4.48Å; I152-L157 HydrophobicContact CG2-CG 3.88Å; I152-L189 HydrophobicContact CD1-CD1 4.23Å; I152-Y196 HydrophobicContact CD1-CD1 3.59Å; I152-Y196 HydrophobicContact CD1-CD2 3.2Å; I152-Y196 HydrophobicContact CD1-CE1 3.91Å; I152-Y196 HydrophobicContact CD1-CE2 3.5Å; I152-Y196 HydrophobicContact CD1-CG 3.23Å; I152-Y196 HydrophobicContact CG1-CD2 3.87Å; I152-Y196 HydrophobicContact CG1-CE2 3.92Å; I152-Y196 HydrophobicContact CG1-CG 4.37Å
153	L	89.2	Confident	79.2	Confident	72 Å²	72	59.4 Å²	59.4	38%	0.377	31%	0.314	S	S	.	.			trans	-87.3	147.1	171.7	-59.5	178.4	0	0	0	110.5	N122 T155 Q156	N122-L153 WeakPolarHBondContact O-CD2 3.18Å; L153-T155 PolarHBondContact O-N 3.4Å; L153-T155 VanDerWaalsContact O-N 3.11Å; L153-Q156 HydrophobicContact CB-CG 4.44Å; L153-Q156 WeakPolarHBondContact O-CB 3.49Å; L153-Q156 PolarHBondContact O-N 3.14Å
154	P	84.5	Confident	80.6	Confident	7 Å²	7	55.6 Å²	55.6	5%	0.045	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-50.6	-38.9	177.3	-27.9	32.1	0	0	0	113.6	N122 Q156 L157 G158 C159 F162	N122-P154 VanDerWaalsContact C-CD 3.45Å; N122-P154 WeakPolarHBondContact O-CD 3.26Å; P154-Q156 VanDerWaalsContact C-N 3.28Å; P154-Q156 PolarHBondContact O-N 3.46Å; P154-L157 CarbonylContact O-C 3.48Å; P154-L157 WeakPolarHBondContact O-CA 3.29Å; P154-L157 PolarHBondContact O-N 2.86Å; P154-G158 PolarHBondContact O-N 2.78Å; P154-C159 CarbonylContact C-O 3.6Å; P154-C159 WeakPolarHBondContact CA-SG 3.44Å; P154-C159 VanDerWaalsContact CB-O 3.22Å; P154-C159 WeakPolarHBondContact CB-O 3.24Å; P154-C159 VanDerWaalsContact CB-SG 3.56Å; P154-C159 PolarHBondContact O-N 3.46Å; P154-C159 VanDerWaalsContact O-O 3.14Å; P154-C159 PolarHBondContact O-SG 2.71Å; P154-F162 HydrophobicContact CB-CE2 4.28Å; P154-F162 HydrophobicContact CB-CZ 4.34Å; P154-F162 VanDerWaalsContact CD-CE2 3.49Å; P154-F162 HydrophobicContact CG-CD2 3.72Å; P154-F162 HydrophobicContact CG-CE2 3.58Å; P154-F162 HydrophobicContact CG-CG 4.37Å; P154-F162 HydrophobicContact CG-CZ 4.13Å
155	T	85.1	Confident	82	Confident	108 Å²	108	55 Å²	55	66%	0.663	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-63	-31.5	-178.7	50.3	0	0	0	0	113.1	L153 L157 G158 C159	L153-T155 PolarHBondContact O-N 3.4Å; L153-T155 VanDerWaalsContact O-N 3.11Å; T155-L157 PolarHBondContact O-N 2.77Å; T155-G158 PolarHBondContact O-N 2.86Å; T155-G158 VanDerWaalsContact O-N 3.11Å; T155-C159 PolarHBondContact N-O 3.29Å
156	Q	87	Confident	83.4	Confident	129 Å²	129	47.5 Å²	47.5	60%	0.603	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-67.3	-22.1	175.1	-66.3	173.3	-58.6	0	0	112.3	I152 L153 P154	I152-Q156 VanDerWaalsContact CA-OE1 3.31Å; I152-Q156 HydrophobicContact CG2-CB 4.21Å; L153-Q156 HydrophobicContact CB-CG 4.44Å; L153-Q156 WeakPolarHBondContact O-CB 3.49Å; L153-Q156 PolarHBondContact O-N 3.14Å; P154-Q156 VanDerWaalsContact C-N 3.28Å; P154-Q156 PolarHBondContact O-N 3.46Å
157	L	87.3	Confident	84.4	Confident	24 Å²	24	47 Å²	47	13%	0.126	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-103.7	12.1	175.4	-60.4	176.8	0	0	0	112.5	I152 P154 T155 C159 F162 L176 I187 L189	I152-L157 HydrophobicContact CG2-CD1 3.9Å; I152-L157 HydrophobicContact CG2-CD2 4.48Å; I152-L157 HydrophobicContact CG2-CG 3.88Å; P154-L157 CarbonylContact O-C 3.48Å; P154-L157 WeakPolarHBondContact O-CA 3.29Å; P154-L157 PolarHBondContact O-N 2.86Å; T155-L157 PolarHBondContact O-N 2.77Å; L157-C159 VanDerWaalsContact C-N 3.27Å; L157-C159 PolarHBondContact O-N 2.93Å; L157-F162 HydrophobicContact CD1-CE1 3.84Å; L157-F162 HydrophobicContact CD1-CZ 3.93Å; L157-L176 HydrophobicContact CD1-CD1 4.01Å; L157-I187 HydrophobicContact CB-CD1 4.05Å; L157-L189 HydrophobicContact CD1-CD1 3.89Å; L157-L189 HydrophobicContact CD1-CD2 4.32Å; L157-L189 HydrophobicContact CD2-CD2 3.83Å
158	G	84.7	Confident	85	Confident	58 Å²	58	43.9 Å²	43.9	60%	0.598	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	25.3	-179.5	0	0	0	0	0	114.3	P154 T155	P154-G158 PolarHBondContact O-N 2.78Å; T155-G158 PolarHBondContact O-N 2.86Å; T155-G158 VanDerWaalsContact O-N 3.11Å
159	C	86	Confident	85.2	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.034	23%	0.225	C	C	.	.			trans	-119.6	161.3	178.1	67.2	0	0	0	0	112.2	P154 T155 L157 E179 I187	P154-C159 CarbonylContact C-O 3.6Å; P154-C159 WeakPolarHBondContact CA-SG 3.44Å; P154-C159 VanDerWaalsContact CB-O 3.22Å; P154-C159 WeakPolarHBondContact CB-O 3.24Å; P154-C159 VanDerWaalsContact CB-SG 3.56Å; P154-C159 PolarHBondContact O-N 3.46Å; P154-C159 VanDerWaalsContact O-O 3.14Å; P154-C159 PolarHBondContact O-SG 2.71Å; T155-C159 PolarHBondContact N-O 3.29Å; L157-C159 VanDerWaalsContact C-N 3.27Å; L157-C159 PolarHBondContact O-N 2.93Å; C159-E179 WeakPolarHBondContact CB-O 3.44Å; C159-I187 HydrophobicContact CB-CD1 4.48Å
160	L	84.7	Confident	85	Confident	107 Å²	107	41.4 Å²	41.4	56%	0.56	23%	0.23	S	C	*	.	S	Bend	trans	-87	-41.7	-177.6	-61.7	176.7	0	0	0	111.7	E179	L160-E179 WeakPolarHBondContact CA-O 3.12Å; L160-E179 WeakPolarHBondContact CB-O 3.29Å; L160-E179 PolarHBondContact N-O 3.42Å
161	R	86.8	Confident	84.6	Confident	70 Å²	70	39.3 Å²	39.3	26%	0.264	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.7	177.9	60.5	167.9	179.6	-168.1	-10.6	111.9	S121 T178 E179	S121-R161 CarbonylContact O-C 3.56Å; S121-R161 VanDerWaalsContact O-CA 3.24Å; S121-R161 WeakPolarHBondContact O-CA 3.21Å; S121-R161 VanDerWaalsContact O-CB 3.3Å; S121-R161 WeakPolarHBondContact O-CB 3.26Å; R161-T178 CarbonylContact O-C 3.49Å; R161-T178 VanDerWaalsContact O-CA 3.32Å; R161-T178 WeakPolarHBondContact O-CA 3.34Å; R161-T178 WeakPolarHBondContact O-CB 3.24Å; R161-E179 WeakPolarHBondContact CD-OE2 3.35Å; R161-E179 HydrophobicContact CG-CB 3.67Å; R161-E179 HydrophobicContact CG-CG 4.49Å; R161-E179 WeakPolarHBondContact CG-OE2 3.45Å; R161-E179 IonicContact CZ-OE1 3.07Å; R161-E179 IonicContact CZ-OE2 3.05Å; R161-E179 PolarHBondContact N-O 2.83Å; R161-E179 VanDerWaalsContact NE-CD 3.33Å; R161-E179 IonicContact NE-OE1 2.8Å; R161-E179 IonicContact NE-OE2 3.25Å; R161-E179 PolarHBondContact NE-OE2 3.42Å; R161-E179 IonicContact NH2-OE1 3.08Å; R161-E179 PolarHBondContact NH2-OE1 3.07Å; R161-E179 IonicContact NH2-OE2 2.64Å; R161-E179 PolarHBondContact NH2-OE2 3.26Å; R161-E179 VanDerWaalsContact NH2-OE2 3.08Å; R161-E179 PolarHBondContact O-N 2.98Å
162	F	87.3	Confident	84.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.3	164	-60.6	-58.3	0	0	0	111.2	I119 S120 S121 L124 P154 L157 L176 T178	I119-F162 HydrophobicContact CD1-CB 3.4Å; I119-F162 VanDerWaalsContact CD1-CB 3.4Å; I119-F162 HydrophobicContact CD1-CD1 3.96Å; I119-F162 HydrophobicContact CD1-CD2 4.31Å; I119-F162 HydrophobicContact CD1-CG 3.64Å; I119-F162 HydrophobicContact CG1-CB 3.48Å; I119-F162 VanDerWaalsContact CG1-CB 3.48Å; I119-F162 HydrophobicContact CG1-CD2 4.07Å; I119-F162 HydrophobicContact CG1-CG 3.82Å; S120-F162 WeakPolarHBondContact O-CB 3.1Å; S121-F162 PolarHBondContact O-N 2.85Å; L124-F162 HydrophobicContact CB-CD2 4.47Å; L124-F162 HydrophobicContact CB-CE2 3.94Å; L124-F162 HydrophobicContact CB-CZ 4.14Å; L124-F162 VanDerWaalsContact N-CE2 3.34Å; P154-F162 HydrophobicContact CB-CE2 4.28Å; P154-F162 HydrophobicContact CB-CZ 4.34Å; P154-F162 VanDerWaalsContact CD-CE2 3.49Å; P154-F162 HydrophobicContact CG-CD2 3.72Å; P154-F162 HydrophobicContact CG-CE2 3.58Å; P154-F162 HydrophobicContact CG-CG 4.37Å; P154-F162 HydrophobicContact CG-CZ 4.13Å; L157-F162 HydrophobicContact CD1-CE1 3.84Å; L157-F162 HydrophobicContact CD1-CZ 3.93Å; F162-L176 HydrophobicContact CE1-CD1 4.08Å; F162-T178 HydrophobicContact CD1-CG2 3.75Å; F162-T178 HydrophobicContact CE1-CG2 4.14Å
163	I	85.5	Confident	84.3	Confident	16 Å²	16	41.1 Å²	41.1	8%	0.082	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-52.1	-179.3	-58.4	169	0	0	0	109.7	L177 E179 P208 F211	I163-L177 WeakPolarHBondContact CA-O 3.33Å; I163-L177 HydrophobicContact CB-CB 4.19Å; I163-L177 WeakPolarHBondContact CB-O 3.46Å; I163-L177 PolarHBondContact N-O 2.87Å; I163-E179 HydrophobicContact CD1-CB 4.2Å; I163-P208 HydrophobicContact CD1-CB 3.66Å; I163-F211 HydrophobicContact CD1-CD2 3.67Å; I163-F211 HydrophobicContact CD1-CE2 4.28Å; I163-F211 HydrophobicContact CG2-CB 4.16Å; I163-F211 WeakPolarHBondContact CG2-O 3.44Å
164	D	86.7	Confident	84.3	Confident	8 Å²	8	37.7 Å²	37.7	4%	0.043	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	161.2	-174.2	-161.9	1.7	0	0	0	111.4	N106 L177 R212 F213	N106-D164 PolarHBondContact ND2-OD1 3.29Å; D164-L177 HydrophobicContact CB-CB 4.18Å; D164-L177 HydrophobicContact CB-CD1 4.12Å; D164-L177 PolarHBondContact N-O 2.84Å; D164-L177 PolarHBondContact O-N 2.82Å; D164-R212 WeakPolarHBondContact OD2-CA 3.24Å; D164-R212 WeakPolarHBondContact OD2-CB 3.14Å; D164-F213 HydrophobicContact CB-CD2 4.03Å; D164-F213 HydrophobicContact CB-CE2 4.37Å; D164-F213 PolarHBondContact OD2-N 2.86Å
165	I	87.7	Confident	84.5	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.3	-178.4	-168	175.7	0	0	0	110.8	N106 L108 I119 L124 L174 A175 L176	N106-I165 HydrophobicContact CB-CG2 3.84Å; L108-I165 HydrophobicContact CD1-CB 4.4Å; L108-I165 HydrophobicContact CD1-CD1 4.04Å; L108-I165 HydrophobicContact CD1-CG1 3.66Å; L108-I165 HydrophobicContact CD1-CG2 4.22Å; L108-I165 HydrophobicContact CG-CG1 4.45Å; L108-I165 HydrophobicContact CG-CG2 4.16Å; I119-I165 HydrophobicContact CB-CB 4.2Å; I119-I165 HydrophobicContact CB-CG2 4.04Å; I119-I165 HydrophobicContact CD1-CB 3.95Å; I119-I165 HydrophobicContact CG2-CB 3.96Å; I119-I165 HydrophobicContact CG2-CG2 3.55Å; L124-I165 HydrophobicContact CD1-CD1 3.59Å; I165-L174 HydrophobicContact CD1-CD1 4.25Å; I165-L174 HydrophobicContact CD1-CD2 4.12Å; I165-L174 HydrophobicContact CG1-CD2 4.35Å; I165-A175 WeakPolarHBondContact CA-O 3.5Å; I165-L176 HydrophobicContact CB-CD2 4.08Å; I165-L176 HydrophobicContact CD1-CD2 3.93Å; I165-L176 HydrophobicContact CG1-CD2 3.63Å
166	S	86.6	Confident	84.8	Confident	20 Å²	20	32.2 Å²	32.2	14%	0.14	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	166.7	170.7	-168.5	0	0	0	0	110.2	L108 A175 F213	L108-S166 VanDerWaalsContact CD1-C 3.43Å; S166-A175 PolarHBondContact N-O 2.93Å; S166-A175 PolarHBondContact O-N 2.81Å; S166-F213 VanDerWaalsContact CB-CG 3.48Å
167	W	83.9	Confident	85	Confident	18 Å²	18	26 Å²	26	7%	0.068	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.3	168.6	-76.7	112.3	0	0	0	109.3	L108 V109 Y110 Y117 P170 L174 V191 Y217	L108-W167 HydrophobicContact CD1-CD2 4.48Å; L108-W167 HydrophobicContact CD1-CG 4.27Å; V109-W167 PolarHBondContact O-NE1 2.89Å; Y110-W167 HydrophobicContact CD2-CH2 4.21Å; Y110-W167 HydrophobicContact CD2-CZ2 4.26Å; Y110-W167 HydrophobicContact CG-CH2 4.22Å; Y110-W167 HydrophobicContact CG-CZ2 4.29Å; Y117-W167 HydrophobicContact CD2-CH2 4.07Å; Y117-W167 HydrophobicContact CD2-CZ2 4.09Å; Y117-W167 AromaticContact CE2-CH2 3.9Å; Y117-W167 HydrophobicContact CE2-CH2 3.9Å; Y117-W167 HydrophobicContact CE2-CZ2 4.26Å; W167-P170 HydrophobicContact CB-CG 4.42Å; W167-L174 HydrophobicContact CD2-CD2 4.06Å; W167-L174 HydrophobicContact CE3-CD2 3.66Å; W167-L174 HydrophobicContact CE3-CG 4.42Å; W167-L174 HydrophobicContact CH2-CD2 3.74Å; W167-L174 HydrophobicContact CH2-CG 4.44Å; W167-L174 HydrophobicContact CZ2-CD2 4.13Å; W167-L174 HydrophobicContact CZ3-CD2 3.49Å; W167-L174 VanDerWaalsContact CZ3-CD2 3.49Å; W167-L174 HydrophobicContact CZ3-CG 4.01Å; W167-V191 HydrophobicContact CH2-CG2 4.06Å; W167-V191 HydrophobicContact CZ3-CG2 3.76Å; W167-Y217 AromaticContact CD1-CE2 3.93Å
168	Y	83.6	Confident	85.1	Confident	5 Å²	5	24.9 Å²	24.9	2%	0.02	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-47.3	166.9	-166.7	-102.9	0	0	0	110.6	E173 A175 T188 R230 V232 N244 Y245	Y168-E173 WeakPolarHBondContact CA-O 3.37Å; Y168-E173 WeakPolarHBondContact CB-O 3.39Å; Y168-E173 HydrophobicContact CD1-CB 4.44Å; Y168-E173 WeakPolarHBondContact CD1-OE2 3.47Å; Y168-E173 PolarHBondContact N-O 2.87Å; Y168-A175 HydrophobicContact CD2-CB 4.2Å; Y168-T188 HydrophobicContact CD1-CG2 4.27Å; Y168-T188 HydrophobicContact CD2-CG2 3.82Å; Y168-T188 HydrophobicContact CE2-CG2 4.13Å; Y168-T188 HydrophobicContact CG-CG2 3.89Å; Y168-R230 HydrophobicContact CE1-CB 3.73Å; Y168-R230 HydrophobicContact CE1-CG 4.09Å; Y168-R230 VanDerWaalsContact CZ-O 3.31Å; Y168-R230 VanDerWaalsContact OH-C 3.27Å; Y168-R230 WeakPolarHBondContact OH-CB 3.14Å; Y168-R230 PolarHBondContact OH-O 3.31Å; Y168-V232 HydrophobicContact CD2-CG1 3.79Å; Y168-V232 HydrophobicContact CD2-CG2 4.3Å; Y168-V232 HydrophobicContact CE2-CG1 4.43Å; Y168-V232 HydrophobicContact CE2-CG2 4.39Å; Y168-N244 VanDerWaalsContact OH-CA 3.27Å; Y168-N244 WeakPolarHBondContact OH-CA 2.9Å; Y168-Y245 AromaticContact CD1-CE1 3.85Å; Y168-Y245 HydrophobicContact CD1-CE1 3.85Å; Y168-Y245 AromaticContact CD1-CZ 3.94Å; Y168-Y245 AromaticContact CE1-CD1 3.86Å; Y168-Y245 HydrophobicContact CE1-CD1 3.86Å; Y168-Y245 HydrophobicContact CE1-CD2 4.28Å; Y168-Y245 AromaticContact CE1-CE1 3.29Å; Y168-Y245 HydrophobicContact CE1-CE1 3.29Å; Y168-Y245 AromaticContact CE1-CE2 3.77Å; Y168-Y245 HydrophobicContact CE1-CE2 3.77Å; Y168-Y245 HydrophobicContact CE1-CG 4.33Å; Y168-Y245 AromaticContact CE1-CZ 3.24Å; Y168-Y245 WeakPolarHBondContact CE1-OH 3.27Å; Y168-Y245 AromaticContact CZ-CD1 3.95Å; Y168-Y245 AromaticContact CZ-CE1 3.86Å; Y168-Y245 PolarHBondContact OH-N 3.19Å
169	V	79.1	Confident	85.3	Confident	18 Å²	18	24.3 Å²	24.3	11%	0.109	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.7	164.5	179.9	0	0	0	0	106	G171 K172 E173	V169-G171 PolarHBondContact O-N 2.91Å; V169-K172 HydrophobicContact CB-CB 4.13Å; V169-K172 HydrophobicContact CG1-CB 3.86Å; V169-K172 HydrophobicContact CG1-CD 4.07Å; V169-K172 HydrophobicContact CG1-CG 4.21Å; V169-K172 PolarHBondContact O-N 2.86Å; V169-E173 HydrophobicContact CB-CB 4.11Å; V169-E173 HydrophobicContact CB-CG 4.4Å; V169-E173 HydrophobicContact CG2-CB 4.33Å; V169-E173 HydrophobicContact CG2-CG 4.44Å; V169-E173 PolarHBondContact N-O 3.31Å; V169-E173 PolarHBondContact O-N 2.87Å; V169-E173 VanDerWaalsContact O-O 3.12Å
170	P	74.5	Confident	85.1	Confident	57 Å²	57	24.6 Å²	24.6	37%	0.37	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	116.6	-179	-30.6	36.1	0	0	0	111.2	W167 K172 A222	W167-P170 HydrophobicContact CB-CG 4.42Å; P170-K172 PolarHBondContact O-N 2.8Å; P170-A222 HydrophobicContact CB-CB 4.05Å
171	G	73.5	Confident	84.9	Confident	5 Å²	5	24.2 Å²	24.2	5%	0.052	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-3.5	175.3	0	0	0	0	0	119.3	Y110 V169	Y110-G171 WeakPolarHBondContact CE2-O 3.09Å; V169-G171 PolarHBondContact O-N 2.91Å
172	K	79.8	Confident	84.6	Confident	104 Å²	104	25.9 Å²	25.9	45%	0.452	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-37	178.1	-61.4	-176.6	-179.7	-179.2	0	111.3	V169 P170 K190 V191 H227	V169-K172 HydrophobicContact CB-CB 4.13Å; V169-K172 HydrophobicContact CG1-CB 3.86Å; V169-K172 HydrophobicContact CG1-CD 4.07Å; V169-K172 HydrophobicContact CG1-CG 4.21Å; V169-K172 PolarHBondContact O-N 2.86Å; P170-K172 PolarHBondContact O-N 2.8Å; K172-K190 WeakPolarHBondContact O-CA 3.32Å; K172-V191 WeakPolarHBondContact O-CG2 3.37Å; K172-V191 PolarHBondContact O-N 2.85Å; K172-H227 PolarHBondContact NZ-CE1 3.01Å; K172-H227 PolarHBondContact NZ-NE2 3.14Å
173	E	86.4	Confident	84.4	Confident	26 Å²	26	26.9 Å²	26.9	12%	0.121	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	128.2	-175.3	-59.9	-174.5	-172.8	0	0	112.4	Y168 V169 L189 K190 Y245	Y168-E173 WeakPolarHBondContact CA-O 3.37Å; Y168-E173 WeakPolarHBondContact CB-O 3.39Å; Y168-E173 HydrophobicContact CD1-CB 4.44Å; Y168-E173 WeakPolarHBondContact CD1-OE2 3.47Å; Y168-E173 PolarHBondContact N-O 2.87Å; V169-E173 HydrophobicContact CB-CB 4.11Å; V169-E173 HydrophobicContact CB-CG 4.4Å; V169-E173 HydrophobicContact CG2-CB 4.33Å; V169-E173 HydrophobicContact CG2-CG 4.44Å; V169-E173 PolarHBondContact N-O 3.31Å; V169-E173 PolarHBondContact O-N 2.87Å; V169-E173 VanDerWaalsContact O-O 3.12Å; E173-L189 CarbonylContact C-O 3.55Å; E173-L189 WeakPolarHBondContact CA-O 3.41Å; E173-K190 HydrophobicContact CG-CB 4.32Å; E173-K190 HydrophobicContact CG-CG 4.46Å; E173-Y245 PolarHBondContact OE1-OH 3.27Å; E173-Y245 VanDerWaalsContact OE1-OH 3.14Å; E173-Y245 WeakPolarHBondContact OE2-CE1 3.32Å; E173-Y245 PolarHBondContact OE2-OH 2.95Å
174	L	88.9	Confident	84.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	142.5	171.9	-64.4	172.3	0	0	0	110.1	L108 Y117 L124 I165 W167 T188 L189 V191	L108-L174 HydrophobicContact CD1-CD2 3.95Å; Y117-L174 HydrophobicContact CD1-CD1 3.95Å; Y117-L174 HydrophobicContact CE1-CD1 4.34Å; Y117-L174 HydrophobicContact CG-CD1 4.2Å; L124-L174 HydrophobicContact CD2-CD1 4.37Å; I165-L174 HydrophobicContact CD1-CD1 4.25Å; I165-L174 HydrophobicContact CD1-CD2 4.12Å; I165-L174 HydrophobicContact CG1-CD2 4.35Å; W167-L174 HydrophobicContact CD2-CD2 4.06Å; W167-L174 HydrophobicContact CE3-CD2 3.66Å; W167-L174 HydrophobicContact CE3-CG 4.42Å; W167-L174 HydrophobicContact CH2-CD2 3.74Å; W167-L174 HydrophobicContact CH2-CG 4.44Å; W167-L174 HydrophobicContact CZ2-CD2 4.13Å; W167-L174 HydrophobicContact CZ3-CD2 3.49Å; W167-L174 VanDerWaalsContact CZ3-CD2 3.49Å; W167-L174 HydrophobicContact CZ3-CG 4.01Å; L174-T188 CarbonylContact O-C 3.56Å; L174-T188 VanDerWaalsContact O-CA 3.23Å; L174-T188 WeakPolarHBondContact O-CA 3.49Å; L174-L189 HydrophobicContact CB-CB 4.49Å; L174-L189 PolarHBondContact N-O 2.79Å; L174-L189 PolarHBondContact O-N 2.9Å; L174-V191 HydrophobicContact CD1-CG1 3.53Å; L174-V191 HydrophobicContact CG-CG1 3.75Å
175	A	89.8	Confident	84.6	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130	163	0	0	0	0	0	108.6	I165 S166 Y168 L186 I187 F213 V232	I165-A175 WeakPolarHBondContact CA-O 3.5Å; S166-A175 PolarHBondContact N-O 2.93Å; S166-A175 PolarHBondContact O-N 2.81Å; Y168-A175 HydrophobicContact CD2-CB 4.2Å; A175-L186 HydrophobicContact CB-CD1 4.14Å; A175-I187 CarbonylContact C-O 3.2Å; A175-F213 HydrophobicContact CB-CE1 3.96Å; A175-F213 HydrophobicContact CB-CE2 4.32Å; A175-F213 HydrophobicContact CB-CZ 3.52Å; A175-F213 WeakPolarHBondContact O-CE2 3.25Å; A175-V232 HydrophobicContact CB-CG1 4Å
176	L	91.8	Very high	84.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.1	179.2	-59.5	170.8	0	0	0	109	I119 L124 L157 F162 I165 T178 L186 I187 L189	I119-L176 HydrophobicContact CD1-CD2 3.59Å; L124-L176 HydrophobicContact CD1-CD2 4.44Å; L124-L176 HydrophobicContact CD2-CD1 4.11Å; L124-L176 HydrophobicContact CD2-CD2 4.35Å; L157-L176 HydrophobicContact CD1-CD1 4.01Å; F162-L176 HydrophobicContact CE1-CD1 4.08Å; I165-L176 HydrophobicContact CB-CD2 4.08Å; I165-L176 HydrophobicContact CD1-CD2 3.93Å; I165-L176 HydrophobicContact CG1-CD2 3.63Å; L176-T178 HydrophobicContact CB-CG2 3.96Å; L176-L186 WeakPolarHBondContact O-CA 3.42Å; L176-I187 HydrophobicContact CB-CB 4.25Å; L176-I187 HydrophobicContact CD1-CG2 4.39Å; L176-I187 PolarHBondContact N-O 2.85Å; L176-I187 PolarHBondContact O-N 2.86Å; L176-L189 HydrophobicContact CD1-CD1 3.43Å; L176-L189 VanDerWaalsContact CD1-CD1 3.43Å; L176-L189 HydrophobicContact CD1-CG 3.84Å
177	L	90.1	Very high	85.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.5	164.2	-72.6	167.6	0	0	0	108.2	I163 D164 L186 F211 F213 I234	I163-L177 WeakPolarHBondContact CA-O 3.33Å; I163-L177 HydrophobicContact CB-CB 4.19Å; I163-L177 WeakPolarHBondContact CB-O 3.46Å; I163-L177 PolarHBondContact N-O 2.87Å; D164-L177 HydrophobicContact CB-CB 4.18Å; D164-L177 HydrophobicContact CB-CD1 4.12Å; D164-L177 PolarHBondContact N-O 2.84Å; D164-L177 PolarHBondContact O-N 2.82Å; L177-L186 HydrophobicContact CD2-CD1 4.16Å; L177-F211 HydrophobicContact CD1-CB 4.03Å; L177-F213 HydrophobicContact CB-CE2 4.31Å; L177-F213 HydrophobicContact CB-CZ 4.42Å; L177-F213 HydrophobicContact CD1-CD1 4.03Å; L177-F213 HydrophobicContact CD1-CD2 3.92Å; L177-F213 HydrophobicContact CD1-CE1 3.98Å; L177-F213 HydrophobicContact CD1-CE2 3.89Å; L177-F213 HydrophobicContact CD1-CG 4.01Å; L177-F213 HydrophobicContact CD1-CZ 3.94Å; L177-F213 HydrophobicContact CD2-CE1 4.4Å; L177-F213 HydrophobicContact CD2-CZ 4.34Å; L177-F213 HydrophobicContact CG-CD1 4.43Å; L177-F213 HydrophobicContact CG-CD2 4.28Å; L177-F213 HydrophobicContact CG-CE1 3.87Å; L177-F213 HydrophobicContact CG-CE2 3.73Å; L177-F213 HydrophobicContact CG-CZ 3.52Å; L177-I234 HydrophobicContact CD1-CG1 4.42Å; L177-I234 HydrophobicContact CD1-CG2 4.02Å; L177-I234 HydrophobicContact CD2-CD1 3.77Å; L177-I234 HydrophobicContact CD2-CG1 4.03Å; L177-I234 HydrophobicContact CD2-CG2 4.05Å
178	T	90.4	Very high	85.4	Confident	0 Å²	0	24 Å²	24	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	160.7	-175.8	74.9	0	0	0	0	110.7	R161 F162 L176 G184 C185 I187	R161-T178 CarbonylContact O-C 3.49Å; R161-T178 VanDerWaalsContact O-CA 3.32Å; R161-T178 WeakPolarHBondContact O-CA 3.34Å; R161-T178 WeakPolarHBondContact O-CB 3.24Å; F162-T178 HydrophobicContact CD1-CG2 3.75Å; F162-T178 HydrophobicContact CE1-CG2 4.14Å; L176-T178 HydrophobicContact CB-CG2 3.96Å; T178-G184 WeakPolarHBondContact O-CA 3.23Å; T178-C185 PolarHBondContact N-O 2.86Å; T178-C185 PolarHBondContact O-N 3.47Å; T178-C185 WeakPolarHBondContact OG1-CB 3.49Å; T178-C185 PolarHBondContact OG1-O 3.48Å; T178-I187 HydrophobicContact CG2-CB 4.48Å; T178-I187 HydrophobicContact CG2-CD1 3.9Å; T178-I187 HydrophobicContact CG2-CG1 4.26Å
179	E	87.5	Confident	85.7	Confident	45 Å²	45	23.8 Å²	23.8	21%	0.21	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.1	165.3	175.8	179.3	-111.4	0	0	108.4	C159 L160 R161 I163 P208	C159-E179 WeakPolarHBondContact CB-O 3.44Å; L160-E179 WeakPolarHBondContact CA-O 3.12Å; L160-E179 WeakPolarHBondContact CB-O 3.29Å; L160-E179 PolarHBondContact N-O 3.42Å; R161-E179 WeakPolarHBondContact CD-OE2 3.35Å; R161-E179 HydrophobicContact CG-CB 3.67Å; R161-E179 HydrophobicContact CG-CG 4.49Å; R161-E179 WeakPolarHBondContact CG-OE2 3.45Å; R161-E179 IonicContact CZ-OE1 3.07Å; R161-E179 IonicContact CZ-OE2 3.05Å; R161-E179 PolarHBondContact N-O 2.83Å; R161-E179 VanDerWaalsContact NE-CD 3.33Å; R161-E179 IonicContact NE-OE1 2.8Å; R161-E179 IonicContact NE-OE2 3.25Å; R161-E179 PolarHBondContact NE-OE2 3.42Å; R161-E179 IonicContact NH2-OE1 3.08Å; R161-E179 PolarHBondContact NH2-OE1 3.07Å; R161-E179 IonicContact NH2-OE2 2.64Å; R161-E179 PolarHBondContact NH2-OE2 3.26Å; R161-E179 VanDerWaalsContact NH2-OE2 3.08Å; R161-E179 PolarHBondContact O-N 2.98Å; I163-E179 HydrophobicContact CD1-CB 4.2Å; E179-P208 HydrophobicContact CB-CB 3.89Å; E179-P208 HydrophobicContact CB-CG 4.21Å; E179-P208 HydrophobicContact CG-CB 4Å; E179-P208 HydrophobicContact CG-CG 3.74Å; E179-P208 WeakPolarHBondContact OE1-CG 3.38Å
180	S	83.4	Confident	86.2	Confident	11 Å²	11	28.3 Å²	28.3	8%	0.077	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	174.3	173.5	68.7	0	0	0	0	109.5	S182 G183	S180-S182 PolarHBondContact O-N 3.12Å; S180-S182 PolarHBondContact OG-OG 3.11Å; S180-S182 VanDerWaalsContact OG-OG 3.07Å; S180-G183 PolarHBondContact N-O 3.39Å; S180-G183 PolarHBondContact O-N 2.85Å; S180-G183 PolarHBondContact OG-O 3.29Å
181	A	80.4	Confident	86.6	Confident	100 Å²	100	26 Å²	26	83%	0.826	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.4	176.6	0	0	0	0	0	113.3
182	S	79.3	Confident	86.8	Confident	105 Å²	105	28.8 Å²	28.8	73%	0.734	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.8	178	56.1	0	0	0	0	113.9	S180	S180-S182 PolarHBondContact O-N 3.12Å; S180-S182 PolarHBondContact OG-OG 3.11Å; S180-S182 VanDerWaalsContact OG-OG 3.07Å
183	G	84.4	Confident	86.4	Confident	20 Å²	20	26.1 Å²	26.1	21%	0.206	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.5	-154	-178.7	0	0	0	0	0	113	S180	S180-G183 PolarHBondContact N-O 3.39Å; S180-G183 PolarHBondContact O-N 2.85Å; S180-G183 PolarHBondContact OG-O 3.29Å
184	G	86.8	Confident	85.7	Confident	2 Å²	2	30.1 Å²	30.1	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142.3	-179.8	0	0	0	0	0	113.2	T178 V204	T178-G184 WeakPolarHBondContact O-CA 3.23Å; G184-V204 WeakPolarHBondContact O-CG2 3.27Å; G184-V204 PolarHBondContact O-N 2.79Å
185	C	89.9	Confident	85.3	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144.9	174.7	-172.8	0	0	0	0	111.4	T178 Q201 L202	T178-C185 PolarHBondContact N-O 2.86Å; T178-C185 PolarHBondContact O-N 3.47Å; T178-C185 WeakPolarHBondContact OG1-CB 3.49Å; T178-C185 PolarHBondContact OG1-O 3.48Å; C185-Q201 WeakPolarHBondContact SG-CG 3.34Å; C185-L202 CarbonylContact C-O 3.6Å; C185-L202 WeakPolarHBondContact CA-O 3.39Å; C185-L202 PolarHBondContact SG-O 2.88Å
186	L	91.3	Very high	85	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117	167.4	177.2	69	0	0	0	108.1	A175 L176 L177 L202 V204 F213 V232 I234 S243	A175-L186 HydrophobicContact CB-CD1 4.14Å; L176-L186 WeakPolarHBondContact O-CA 3.42Å; L177-L186 HydrophobicContact CD2-CD1 4.16Å; L186-L202 PolarHBondContact N-O 2.71Å; L186-L202 PolarHBondContact O-N 2.67Å; L186-V204 HydrophobicContact CB-CG1 3.95Å; L186-F213 HydrophobicContact CD1-CE1 3.88Å; L186-F213 HydrophobicContact CD1-CZ 3.77Å; L186-V232 HydrophobicContact CD1-CG2 4.22Å; L186-V232 HydrophobicContact CD2-CG2 3.91Å; L186-I234 HydrophobicContact CD2-CD1 4.38Å; L186-S243 WeakPolarHBondContact CD2-OG 3.38Å
187	I	92	Very high	84.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.7	175.8	-67	179.9	0	0	0	108.4	L157 C159 A175 L176 T178 L189 L198 Q201	L157-I187 HydrophobicContact CB-CD1 4.05Å; C159-I187 HydrophobicContact CB-CD1 4.48Å; A175-I187 CarbonylContact C-O 3.2Å; L176-I187 HydrophobicContact CB-CB 4.25Å; L176-I187 HydrophobicContact CD1-CG2 4.39Å; L176-I187 PolarHBondContact N-O 2.85Å; L176-I187 PolarHBondContact O-N 2.86Å; T178-I187 HydrophobicContact CG2-CB 4.48Å; T178-I187 HydrophobicContact CG2-CD1 3.9Å; T178-I187 HydrophobicContact CG2-CG1 4.26Å; I187-L189 HydrophobicContact CG2-CD2 3.7Å; I187-L189 HydrophobicContact CG2-CG 4.04Å; I187-L198 HydrophobicContact CG2-CD1 3.45Å; I187-L198 VanDerWaalsContact CG2-CD1 3.45Å; I187-Q201 HydrophobicContact CG1-CG 4.11Å
188	T	90.7	Very high	84.7	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.6	169.4	58.3	0	0	0	0	110.2	Y168 L174 T199 S200 Y245	Y168-T188 HydrophobicContact CD1-CG2 4.27Å; Y168-T188 HydrophobicContact CD2-CG2 3.82Å; Y168-T188 HydrophobicContact CE2-CG2 4.13Å; Y168-T188 HydrophobicContact CG-CG2 3.89Å; L174-T188 CarbonylContact O-C 3.56Å; L174-T188 VanDerWaalsContact O-CA 3.23Å; L174-T188 WeakPolarHBondContact O-CA 3.49Å; T188-T199 VanDerWaalsContact CB-OG1 3.29Å; T188-T199 WeakPolarHBondContact CB-OG1 3.48Å; T188-T199 PolarHBondContact O-N 2.88Å; T188-T199 PolarHBondContact O-OG1 2.93Å; T188-T199 PolarHBondContact OG1-OG1 3.43Å; T188-S200 PolarHBondContact N-O 2.71Å; T188-S200 PolarHBondContact O-N 3.06Å; T188-S200 VanDerWaalsContact OG1-CB 3.24Å; T188-S200 WeakPolarHBondContact OG1-CB 3.18Å; T188-S200 PolarHBondContact OG1-N 3.48Å; T188-Y245 HydrophobicContact CG2-CD1 4.26Å; T188-Y245 HydrophobicContact CG2-CE1 4.25Å
189	L	89.9	Confident	84.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125	179.2	-60.4	-175.7	0	0	0	109.9	L124 I152 L157 E173 L174 L176 I187 Y196 A197 L198	L124-L189 HydrophobicContact CD2-CD1 3.94Å; I152-L189 HydrophobicContact CD1-CD1 4.23Å; L157-L189 HydrophobicContact CD1-CD1 3.89Å; L157-L189 HydrophobicContact CD1-CD2 4.32Å; L157-L189 HydrophobicContact CD2-CD2 3.83Å; E173-L189 CarbonylContact C-O 3.55Å; E173-L189 WeakPolarHBondContact CA-O 3.41Å; L174-L189 HydrophobicContact CB-CB 4.49Å; L174-L189 PolarHBondContact N-O 2.79Å; L174-L189 PolarHBondContact O-N 2.9Å; L176-L189 HydrophobicContact CD1-CD1 3.43Å; L176-L189 VanDerWaalsContact CD1-CD1 3.43Å; L176-L189 HydrophobicContact CD1-CG 3.84Å; I187-L189 HydrophobicContact CG2-CD2 3.7Å; I187-L189 HydrophobicContact CG2-CG 4.04Å; L189-Y196 HydrophobicContact CD1-CD1 4.41Å; L189-A197 CarbonylContact C-O 3.57Å; L189-A197 WeakPolarHBondContact CA-O 3.3Å; L189-L198 HydrophobicContact CD2-CB 4.32Å; L189-L198 HydrophobicContact CD2-CD1 3.96Å
190	K	88.6	Confident	84.7	Confident	112 Å²	112	46.8 Å²	46.8	49%	0.487	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.1	164.4	-172.6	177.3	-178.5	-176.4	0	109.2	K172 E173 Y196 A197 T199	K172-K190 WeakPolarHBondContact O-CA 3.32Å; E173-K190 HydrophobicContact CG-CB 4.32Å; E173-K190 HydrophobicContact CG-CG 4.46Å; K190-Y196 WeakPolarHBondContact O-CA 3.3Å; K190-A197 HydrophobicContact CB-CB 4.37Å; K190-A197 PolarHBondContact N-O 3.36Å; K190-A197 PolarHBondContact O-N 3.13Å; K190-T199 HydrophobicContact CB-CG2 3.64Å
191	V	83.7	Confident	85	Confident	10 Å²	10	51 Å²	51	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.2	177.4	-65.8	0	0	0	0	109.8	Y117 W167 K172 L174 Y196	Y117-V191 HydrophobicContact CE1-CG1 4.31Å; W167-V191 HydrophobicContact CH2-CG2 4.06Å; W167-V191 HydrophobicContact CZ3-CG2 3.76Å; K172-V191 WeakPolarHBondContact O-CG2 3.37Å; K172-V191 PolarHBondContact O-N 2.85Å; L174-V191 HydrophobicContact CD1-CG1 3.53Å; L174-V191 HydrophobicContact CG-CG1 3.75Å; V191-Y196 HydrophobicContact CG1-CD1 3.71Å; V191-Y196 HydrophobicContact CG1-CE1 3.73Å
192	A	78.5	Confident	85.4	Confident	62 Å²	62	47.8 Å²	47.8	51%	0.512	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	93.4	173.8	0	0	0	0	0	109.3	E194 N195	A192-E194 PolarHBondContact O-N 2.85Å; A192-N195 PolarHBondContact N-O 3.06Å; A192-N195 PolarHBondContact O-N 2.92Å; A192-N195 VanDerWaalsContact O-N 3.1Å
193	G	71	Confident	85.8	Confident	49 Å²	49	46.9 Å²	46.9	51%	0.505	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	-125.9	-170.1	0	0	0	0	0	110.5	N195	G193-N195 VanDerWaalsContact C-N 3.32Å
194	E	72.4	Confident	85.7	Confident	109 Å²	109	46.2 Å²	46.2	51%	0.509	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.1	176.8	-69.8	171.7	-172.5	0	0	113.7	M126 N150 A192 Y196	M126-E194 HydrophobicContact CE-CB 4.29Å; M126-E194 HydrophobicContact CE-CG 3.52Å; N150-E194 PolarHBondContact ND2-O 3.22Å; A192-E194 PolarHBondContact O-N 2.85Å; E194-Y196 WeakPolarHBondContact O-CD2 3.31Å; E194-Y196 WeakPolarHBondContact O-CE2 3.38Å
195	N	78.6	Confident	84.9	Confident	126 Å²	126	50.7 Å²	50.7	67%	0.674	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.2	-176.7	-68.6	-49.4	0	0	0	112.3	A192 G193	A192-N195 PolarHBondContact N-O 3.06Å; A192-N195 PolarHBondContact O-N 2.92Å; A192-N195 VanDerWaalsContact O-N 3.1Å; G193-N195 VanDerWaalsContact C-N 3.32Å
196	Y	83.7	Confident	83.8	Confident	46 Å²	46	52.1 Å²	52.1	18%	0.18	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.3	175.4	-56.2	-87.2	0	0	0	110.4	Y117 L124 M126 N150 I152 L189 K190 V191 E194	Y117-Y196 HydrophobicContact CD1-CE1 4.49Å; Y117-Y196 AromaticContact CE1-CE1 3.93Å; Y117-Y196 HydrophobicContact CE1-CE1 3.93Å; L124-Y196 HydrophobicContact CD2-CE1 4.5Å; M126-Y196 WeakPolarHBondContact CB-OH 3.36Å; N150-Y196 HydrophobicContact CB-CE2 4.19Å; N150-Y196 WeakPolarHBondContact ND2-CE2 3.33Å; I152-Y196 HydrophobicContact CD1-CD1 3.59Å; I152-Y196 HydrophobicContact CD1-CD2 3.2Å; I152-Y196 HydrophobicContact CD1-CE1 3.91Å; I152-Y196 HydrophobicContact CD1-CE2 3.5Å; I152-Y196 HydrophobicContact CD1-CG 3.23Å; I152-Y196 HydrophobicContact CG1-CD2 3.87Å; I152-Y196 HydrophobicContact CG1-CE2 3.92Å; I152-Y196 HydrophobicContact CG1-CG 4.37Å; L189-Y196 HydrophobicContact CD1-CD1 4.41Å; K190-Y196 WeakPolarHBondContact O-CA 3.3Å; V191-Y196 HydrophobicContact CG1-CD1 3.71Å; V191-Y196 HydrophobicContact CG1-CE1 3.73Å; E194-Y196 WeakPolarHBondContact O-CD2 3.31Å; E194-Y196 WeakPolarHBondContact O-CE2 3.38Å
197	A	87.3	Confident	82.7	Confident	52 Å²	52	57.4 Å²	57.4	43%	0.43	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127	170.6	0	0	0	0	0	110	L189 K190 T199	L189-A197 CarbonylContact C-O 3.57Å; L189-A197 WeakPolarHBondContact CA-O 3.3Å; K190-A197 HydrophobicContact CB-CB 4.37Å; K190-A197 PolarHBondContact N-O 3.36Å; K190-A197 PolarHBondContact O-N 3.13Å; A197-T199 PolarHBondContact O-N 2.91Å
198	L	89.4	Confident	81.1	Confident	91 Å²	91	58 Å²	58	48%	0.476	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	123.6	170.3	-178.9	65.5	0	0	0	109.1	I187 L189 S200	I187-L198 HydrophobicContact CG2-CD1 3.45Å; I187-L198 VanDerWaalsContact CG2-CD1 3.45Å; L189-L198 HydrophobicContact CD2-CB 4.32Å; L189-L198 HydrophobicContact CD2-CD1 3.96Å; L198-S200 WeakPolarHBondContact CD1-O 3.39Å
199	T	88.2	Confident	79.6	Confident	59 Å²	59	61.4 Å²	61.4	36%	0.362	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-36.9	-179.6	51	0	0	0	0	112.5	T188 K190 A197	T188-T199 VanDerWaalsContact CB-OG1 3.29Å; T188-T199 WeakPolarHBondContact CB-OG1 3.48Å; T188-T199 PolarHBondContact O-N 2.88Å; T188-T199 PolarHBondContact O-OG1 2.93Å; T188-T199 PolarHBondContact OG1-OG1 3.43Å; K190-T199 HydrophobicContact CB-CG2 3.64Å; A197-T199 PolarHBondContact O-N 2.91Å
200	S	89.5	Confident	78.3	Confident	22 Å²	22	65.8 Å²	65.8	15%	0.154	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.1	173.2	-177.8	0	0	0	0	110.3	T188 L198 Y245	T188-S200 PolarHBondContact N-O 2.71Å; T188-S200 PolarHBondContact O-N 3.06Å; T188-S200 VanDerWaalsContact OG1-CB 3.24Å; T188-S200 WeakPolarHBondContact OG1-CB 3.18Å; T188-S200 PolarHBondContact OG1-N 3.48Å; L198-S200 WeakPolarHBondContact CD1-O 3.39Å; S200-Y245 PolarHBondContact OG-O 3.33Å
201	Q	89.8	Confident	77.7	Confident	100 Å²	100	61.1 Å²	61.1	47%	0.467	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	116.9	170.7	-176.2	173.1	-5.2	0	0	107.9	C185 I187	C185-Q201 WeakPolarHBondContact SG-CG 3.34Å; I187-Q201 HydrophobicContact CG1-CG 4.11Å
202	L	88.9	Confident	77.7	Confident	31 Å²	31	63.8 Å²	63.8	16%	0.162	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.9	-175.9	-177.8	69.5	0	0	0	109.9	C185 L186 V204 S243 C248	C185-L202 CarbonylContact C-O 3.6Å; C185-L202 WeakPolarHBondContact CA-O 3.39Å; C185-L202 PolarHBondContact SG-O 2.88Å; L186-L202 PolarHBondContact N-O 2.71Å; L186-L202 PolarHBondContact O-N 2.67Å; L202-V204 PolarHBondContact O-N 2.82Å; L202-S243 WeakPolarHBondContact CD2-OG 3.25Å; L202-C248 HydrophobicContact CD2-CB 3.76Å
203	S	87.5	Confident	78	Confident	86 Å²	86	61.7 Å²	61.7	60%	0.601	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	131	170.7	-59.5	0	0	0	0	110.1
204	V	82.5	Confident	78.4	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.042	33%	0.33	C	S	.	.			trans	-100.1	134.6	172.6	-60.5	0	0	0	0	109.4	G184 L186 L202 F206 F211 I234 C248	G184-V204 WeakPolarHBondContact O-CG2 3.27Å; G184-V204 PolarHBondContact O-N 2.79Å; L186-V204 HydrophobicContact CB-CG1 3.95Å; L202-V204 PolarHBondContact O-N 2.82Å; V204-F206 HydrophobicContact CB-CD2 4.22Å; V204-F206 PolarHBondContact O-N 3.34Å; V204-F211 HydrophobicContact CG2-CE2 3.89Å; V204-F211 HydrophobicContact CG2-CZ 4.13Å; V204-I234 HydrophobicContact CG1-CD1 4.11Å; V204-C248 HydrophobicContact CG1-CB 4.5Å
205	P	70.2	Confident	78.1	Confident	95 Å²	95	55.6 Å²	55.6	62%	0.617	31%	0.314	S	S	*	.	S	Bend	trans	-77.2	25.8	-166.6	30.2	-35.7	0	0	0	114.9
206	F	67.1	Low	77	Confident	32 Å²	32	51 Å²	51	14%	0.14	29%	0.292	C	S	.	.	S	Bend	trans	-126.1	170.1	-166.7	-49.6	-66.9	0	0	0	113.7	V204 F211 T236 E239 C241	V204-F206 HydrophobicContact CB-CD2 4.22Å; V204-F206 PolarHBondContact O-N 3.34Å; F206-F211 VanDerWaalsContact C-CZ 3.48Å; F206-F211 HydrophobicContact CB-CE1 3.31Å; F206-F211 HydrophobicContact CB-CZ 3.51Å; F206-F211 HydrophobicContact CG-CE1 4.35Å; F206-F211 WeakPolarHBondContact O-CZ 3.1Å; F206-T236 HydrophobicContact CB-CG2 3.93Å; F206-T236 HydrophobicContact CD1-CG2 4.16Å; F206-T236 HydrophobicContact CD2-CG2 3.85Å; F206-T236 HydrophobicContact CE2-CG2 4.48Å; F206-T236 HydrophobicContact CG-CG2 3.7Å; F206-E239 VanDerWaalsContact CD1-OE2 3.28Å; F206-E239 WeakPolarHBondContact CD1-OE2 3.45Å; F206-E239 HydrophobicContact CE1-CB 4.38Å; F206-E239 WeakPolarHBondContact CE1-OE2 3.47Å; F206-C241 HydrophobicContact CE2-CB 4.15Å; F206-C241 WeakPolarHBondContact CE2-SG 3.49Å; F206-C241 HydrophobicContact CZ-CB 4.43Å; F206-C241 WeakPolarHBondContact CZ-SG 3.23Å
207	N	67.5	Low	75.3	Confident	114 Å²	114	53 Å²	53	61%	0.61	30%	0.3	S	S	*	.			trans	-83.3	121.1	175.3	-174.7	-44	0	0	0	111.9	S209 F211	N207-S209 PolarHBondContact O-N 2.77Å; N207-S209 PolarHBondContact OD1-N 2.85Å; N207-S209 VanDerWaalsContact OD1-N 3.12Å; N207-S209 PolarHBondContact OD1-OG 2.81Å; N207-F211 VanDerWaalsContact C-CE1 3.43Å; N207-F211 WeakPolarHBondContact O-CE1 3.33Å; N207-F211 VanDerWaalsContact O-CZ 3.22Å; N207-F211 WeakPolarHBondContact O-CZ 3.2Å
208	P	58.9	Low	73.2	Confident	11 Å²	11	53.3 Å²	53.3	7%	0.071	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-63.3	-9.2	-173.1	25.8	-36.8	0	0	0	118.1	I163 E179 L210 F211	I163-P208 HydrophobicContact CD1-CB 3.66Å; E179-P208 HydrophobicContact CB-CB 3.89Å; E179-P208 HydrophobicContact CB-CG 4.21Å; E179-P208 HydrophobicContact CG-CB 4Å; E179-P208 HydrophobicContact CG-CG 3.74Å; E179-P208 WeakPolarHBondContact OE1-CG 3.38Å; P208-L210 PolarHBondContact O-N 2.05Å; P208-L210 VanDerWaalsContact O-N 3.1Å; P208-F211 HydrophobicContact CB-CD2 4.21Å; P208-F211 HydrophobicContact CB-CE2 3.73Å; P208-F211 HydrophobicContact CB-CZ 4.26Å; P208-F211 VanDerWaalsContact N-CZ 3.34Å
209	S	58.2	Low	70.5	Confident	74 Å²	74	50.9 Å²	50.9	52%	0.517	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-65.4	-14.7	-174.8	48.8	0	0	0	0	115.6	N207	N207-S209 PolarHBondContact O-N 2.77Å; N207-S209 PolarHBondContact OD1-N 2.85Å; N207-S209 VanDerWaalsContact OD1-N 3.12Å; N207-S209 PolarHBondContact OD1-OG 2.81Å
210	L	62.9	Low	68	Low	94 Å²	94	49.3 Å²	49.3	49%	0.492	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-146.5	33.8	-171.5	-65.8	171.4	0	0	0	114.1	P208 R237	P208-L210 PolarHBondContact O-N 2.05Å; P208-L210 VanDerWaalsContact O-N 3.1Å; L210-R237 HydrophobicContact CD1-CB 3.89Å; L210-R237 HydrophobicContact CD1-CG 4.11Å
211	F	75.2	Confident	65.2	Low	13 Å²	13	52 Å²	52	6%	0.057	29%	0.289	C	S	.	.			trans	-85	144.4	177.1	-52.6	-34.1	0	0	0	112.6	I163 L177 V204 F206 N207 P208 M235 T236	I163-F211 HydrophobicContact CD1-CD2 3.67Å; I163-F211 HydrophobicContact CD1-CE2 4.28Å; I163-F211 HydrophobicContact CG2-CB 4.16Å; I163-F211 WeakPolarHBondContact CG2-O 3.44Å; L177-F211 HydrophobicContact CD1-CB 4.03Å; V204-F211 HydrophobicContact CG2-CE2 3.89Å; V204-F211 HydrophobicContact CG2-CZ 4.13Å; F206-F211 VanDerWaalsContact C-CZ 3.48Å; F206-F211 HydrophobicContact CB-CE1 3.31Å; F206-F211 HydrophobicContact CB-CZ 3.51Å; F206-F211 HydrophobicContact CG-CE1 4.35Å; F206-F211 WeakPolarHBondContact O-CZ 3.1Å; N207-F211 VanDerWaalsContact C-CE1 3.43Å; N207-F211 WeakPolarHBondContact O-CE1 3.33Å; N207-F211 VanDerWaalsContact O-CZ 3.22Å; N207-F211 WeakPolarHBondContact O-CZ 3.2Å; P208-F211 HydrophobicContact CB-CD2 4.21Å; P208-F211 HydrophobicContact CB-CE2 3.73Å; P208-F211 HydrophobicContact CB-CZ 4.26Å; P208-F211 VanDerWaalsContact N-CZ 3.34Å; F211-M235 WeakPolarHBondContact CA-O 3.19Å; F211-T236 HydrophobicContact CD1-CG2 3.82Å; F211-T236 HydrophobicContact CE1-CG2 3.85Å
212	R	83.8	Confident	62.7	Low	66 Å²	66	48.9 Å²	48.9	25%	0.249	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154.2	160.2	66.8	-171.8	-144.4	-177.3	12.2	110.9	D164 M235 T270 S349	D164-R212 WeakPolarHBondContact OD2-CA 3.24Å; D164-R212 WeakPolarHBondContact OD2-CB 3.14Å; R212-M235 HydrophobicContact CG-CB 4.13Å; R212-M235 HydrophobicContact CG-CE 3.88Å; R212-M235 PolarHBondContact N-O 2.87Å; R212-M235 VanDerWaalsContact N-O 3.12Å; R212-M235 PolarHBondContact O-N 3.33Å; R212-T270 PolarHBondContact NH1-O 2.86Å; R212-T270 VanDerWaalsContact NH1-O 3.08Å; R212-S349 PolarHBondContact NH1-O 2.95Å; R212-S349 PolarHBondContact NH2-O 3.5Å
213	F	86.2	Confident	59.9	Low	18 Å²	18	52.4 Å²	52.4	8%	0.079	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	145.1	163.1	-69.4	-67.4	0	0	0	109.7	D164 S166 A175 L177 L186 V232 N233 I234	D164-F213 HydrophobicContact CB-CD2 4.03Å; D164-F213 HydrophobicContact CB-CE2 4.37Å; D164-F213 PolarHBondContact OD2-N 2.86Å; S166-F213 VanDerWaalsContact CB-CG 3.48Å; A175-F213 HydrophobicContact CB-CE1 3.96Å; A175-F213 HydrophobicContact CB-CE2 4.32Å; A175-F213 HydrophobicContact CB-CZ 3.52Å; A175-F213 WeakPolarHBondContact O-CE2 3.25Å; L177-F213 HydrophobicContact CB-CE2 4.31Å; L177-F213 HydrophobicContact CB-CZ 4.42Å; L177-F213 HydrophobicContact CD1-CD1 4.03Å; L177-F213 HydrophobicContact CD1-CD2 3.92Å; L177-F213 HydrophobicContact CD1-CE1 3.98Å; L177-F213 HydrophobicContact CD1-CE2 3.89Å; L177-F213 HydrophobicContact CD1-CG 4.01Å; L177-F213 HydrophobicContact CD1-CZ 3.94Å; L177-F213 HydrophobicContact CD2-CE1 4.4Å; L177-F213 HydrophobicContact CD2-CZ 4.34Å; L177-F213 HydrophobicContact CG-CD1 4.43Å; L177-F213 HydrophobicContact CG-CD2 4.28Å; L177-F213 HydrophobicContact CG-CE1 3.87Å; L177-F213 HydrophobicContact CG-CE2 3.73Å; L177-F213 HydrophobicContact CG-CZ 3.52Å; L186-F213 HydrophobicContact CD1-CE1 3.88Å; L186-F213 HydrophobicContact CD1-CZ 3.77Å; F213-V232 HydrophobicContact CD1-CB 3.99Å; F213-V232 HydrophobicContact CD1-CG2 4.33Å; F213-V232 HydrophobicContact CE1-CB 3.86Å; F213-V232 HydrophobicContact CE1-CG1 4.3Å; F213-V232 HydrophobicContact CE1-CG2 3.75Å; F213-N233 CarbonylContact C-O 3.6Å; F213-N233 WeakPolarHBondContact CA-O 3.34Å; F213-I234 HydrophobicContact CD1-CG1 4.27Å; F213-I234 HydrophobicContact CE1-CG1 4.21Å
214	C	79	Confident	57.3	Low	7 Å²	7	49.9 Å²	49.9	5%	0.047	29%	0.291	C	S	.	.			trans	-133.9	14	168.7	85	0	0	0	0	113.8	S216 N233 M235 C272	C214-S216 PolarHBondContact O-N 3.4Å; C214-N233 PolarHBondContact N-O 3.47Å; C214-M235 HydrophobicContact CB-CB 4.29Å; C214-C272 HydrophobicContact CB-CB 3.93Å; C214-C272 WeakPolarHBondContact CB-O 3.42Å; C214-C272 WeakPolarHBondContact CB-SG 3.44Å; C214-C272 WeakPolarHBondContact SG-CB 3.41Å; C214-C272 CovalentContact SG-SG 2.05Å; C214-C272 PolarHBondContact SG-SG 2.79Å
215	S	66.4	Low	55	Low	24 Å²	24	56.9 Å²	56.9	17%	0.168	33%	0.328	C	S	.	.			trans	-60.3	132.9	165.4	-27	0	0	0	0	108.6	Y217 V232 N233 E274	S215-Y217 PolarHBondContact O-N 2.86Å; S215-V232 WeakPolarHBondContact OG-CA 3.38Å; S215-N233 PolarHBondContact OG-N 2.83Å; S215-E274 WeakPolarHBondContact CA-OE1 3.47Å; S215-E274 WeakPolarHBondContact CB-OE1 3.43Å
216	S	54.7	Low	53.4	Low	29 Å²	29	55.9 Å²	55.9	20%	0.203	32%	0.317	C	S	.	.			trans	-67.4	133.6	175	60.4	0	0	0	0	109.8	C214 L218 E274	C214-S216 PolarHBondContact O-N 3.4Å; S216-L218 PolarHBondContact O-N 2.82Å; S216-L218 VanDerWaalsContact OG-CD1 3.24Å; S216-L218 WeakPolarHBondContact OG-CD1 3.39Å; S216-L218 WeakPolarHBondContact OG-CG 3.44Å; S216-E274 WeakPolarHBondContact OG-CB 3.31Å
217	Y	48.1	Very low	52.1	Low	89 Å²	89	57.9 Å²	57.9	35%	0.349	33%	0.327	S	S	.	.			trans	-72.5	85.5	158.1	-173	-100	0	0	0	107.9	W167 S215 R461	W167-Y217 AromaticContact CD1-CE2 3.93Å; S215-Y217 PolarHBondContact O-N 2.86Å; Y217-R461 PolarHBondContact OH-NH2 3.25Å
218	L	42.4	Very low	51	Low	57 Å²	57	57.8 Å²	57.8	30%	0.298	33%	0.326	S	S	.	.			trans	-103.2	117.5	170	-74.2	170.2	0	0	0	108.4	S216 T277	S216-L218 PolarHBondContact O-N 2.82Å; S216-L218 VanDerWaalsContact OG-CD1 3.24Å; S216-L218 WeakPolarHBondContact OG-CD1 3.39Å; S216-L218 WeakPolarHBondContact OG-CG 3.44Å; L218-T277 HydrophobicContact CB-CG2 3.92Å; L218-T277 HydrophobicContact CD1-CG2 3.58Å; L218-T277 HydrophobicContact CG-CG2 4.39Å
219	T	34.7	Very low	50.7	Low	40 Å²	40	59.2 Å²	59.2	25%	0.245	34%	0.337	C	S	.	.			trans	109.1	113.5	160.4	67.8	0	0	0	0	116.9	L226	T219-L226 HydrophobicContact CG2-CD1 4.25Å
220	P	35.8	Very low	51.2	Low	26 Å²	26	61.9 Å²	61.9	17%	0.169	34%	0.335	C	S	.	.	S	Bend	trans	-73.3	-16.8	164.9	21.9	-19.6	0	0	0	112.2	A222 P411 V412	P220-A222 VanDerWaalsContact C-N 3.3Å; P220-A222 PolarHBondContact O-N 2.91Å; P220-A222 VanDerWaalsContact O-N 3.15Å; P220-P411 HydrophobicContact CG-CB 4.32Å; P220-P411 HydrophobicContact CG-CG 4.24Å; P220-V412 HydrophobicContact CB-CG2 3.88Å; P220-V412 HydrophobicContact CG-CG2 3.18Å
221	T	30.6	Very low	52	Low	78 Å²	78	58 Å²	58	48%	0.479	32%	0.316	S	S	.	.			trans	-86.6	65.2	172.4	46.2	0	0	0	0	111.5	T223 G224	T221-T223 PolarHBondContact O-N 2.9Å; T221-G224 PolarHBondContact O-N 2.91Å; T221-G224 VanDerWaalsContact O-N 3.14Å
222	A	35.6	Very low	52.5	Low	35 Å²	35	57.5 Å²	57.5	29%	0.289	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	4.7	161.6	0	0	0	0	0	113	P170 P220	P170-A222 HydrophobicContact CB-CB 4.05Å; P220-A222 VanDerWaalsContact C-N 3.3Å; P220-A222 PolarHBondContact O-N 2.91Å; P220-A222 VanDerWaalsContact O-N 3.15Å
223	T	31	Very low	52.6	Low	106 Å²	106	54.3 Å²	54.3	65%	0.65	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.8	169.8	52.1	0	0	0	0	113.4	T221	T221-T223 PolarHBondContact O-N 2.9Å
224	G	32.7	Very low	52.7	Low	33 Å²	33	53.5 Å²	53.5	34%	0.34	30%	0.298	S	S	.	.	S	Bend	trans	-79.1	141.6	168.1	0	0	0	0	0	110.4	T221 L226	T221-G224 PolarHBondContact O-N 2.91Å; T221-G224 VanDerWaalsContact O-N 3.14Å; G224-L226 PolarHBondContact O-N 3.03Å
225	N	34	Very low	53	Low	154 Å²	154	53.5 Å²	53.5	82%	0.824	30%	0.298	S	S	*	.	S	Bend	trans	-61.6	48.1	169.4	-81.5	-40.4	0	0	0	113.7	H227	N225-H227 PolarHBondContact O-N 2.77Å; N225-H227 VanDerWaalsContact O-N 3.1Å; N225-H227 PolarHBondContact OD1-CD2 2.87Å
226	L	37.4	Very low	53.7	Low	74 Å²	74	53 Å²	53	39%	0.387	29%	0.293	S	S	.	.			trans	-68.6	7.9	163.2	-79.1	156.6	0	0	0	111.8	T219 G224 N228 V291	T219-L226 HydrophobicContact CG2-CD1 4.25Å; G224-L226 PolarHBondContact O-N 3.03Å; L226-N228 PolarHBondContact O-N 2.82Å; L226-V291 HydrophobicContact CD2-CG2 4.32Å
227	H	38.9	Very low	54.8	Low	74 Å²	74	57.7 Å²	57.7	34%	0.343	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	0.8	-171.4	-85.6	-33.6	0	0	0	119	K172 N225	K172-H227 PolarHBondContact NZ-CE1 3.01Å; K172-H227 PolarHBondContact NZ-NE2 3.14Å; N225-H227 PolarHBondContact O-N 2.77Å; N225-H227 VanDerWaalsContact O-N 3.1Å; N225-H227 PolarHBondContact OD1-CD2 2.87Å
228	N	45.6	Very low	56.2	Low	112 Å²	112	56.1 Å²	56.1	60%	0.599	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-6.9	-174	-70.1	-9.7	0	0	0	115.7	L226 R230 K279	L226-N228 PolarHBondContact O-N 2.82Å; N228-R230 VanDerWaalsContact C-N 3.26Å; N228-R230 PolarHBondContact O-N 2.99Å; N228-K279 CarbonylContact C-O 3.45Å
229	S	51.5	Low	58	Low	41 Å²	41	57 Å²	57	29%	0.287	31%	0.307	S	S	.	.			trans	-82.2	76.2	172.8	69.6	0	0	0	0	111.5	S231 W278 K279	S229-S231 PolarHBondContact O-N 3.49Å; S229-W278 WeakPolarHBondContact CB-O 3.11Å; S229-K279 WeakPolarHBondContact CA-O 3.36Å; S229-K279 WeakPolarHBondContact CB-O 3.47Å; S229-K279 PolarHBondContact N-O 2.75Å
230	R	69.3	Low	60.5	Low	130 Å²	130	55.1 Å²	55.1	49%	0.491	30%	0.296	S	S	.	.			trans	-78.9	56.1	172.6	-68.8	170.7	172.2	-158.9	2.6	110.1	Y168 N228 N244 Y245	Y168-R230 HydrophobicContact CE1-CB 3.73Å; Y168-R230 HydrophobicContact CE1-CG 4.09Å; Y168-R230 VanDerWaalsContact CZ-O 3.31Å; Y168-R230 VanDerWaalsContact OH-C 3.27Å; Y168-R230 WeakPolarHBondContact OH-CB 3.14Å; Y168-R230 PolarHBondContact OH-O 3.31Å; N228-R230 VanDerWaalsContact C-N 3.26Å; N228-R230 PolarHBondContact O-N 2.99Å; R230-N244 WeakPolarHBondContact O-CA 3.39Å; R230-N244 WeakPolarHBondContact O-CB 3.43Å; R230-Y245 HydrophobicContact CB-CE2 4.43Å; R230-Y245 HydrophobicContact CG-CE2 4.26Å
231	S	79	Confident	62.9	Low	13 Å²	13	53.9 Å²	53.9	9%	0.091	29%	0.288	C	S	.	.			trans	-142.7	145.4	176.6	58.8	0	0	0	0	113.1	S229 S243	S229-S231 PolarHBondContact O-N 3.49Å; S231-S243 CarbonylContact C-O 3.55Å; S231-S243 WeakPolarHBondContact CA-O 3.32Å; S231-S243 WeakPolarHBondContact CB-O 3.35Å
232	V	85.3	Confident	65.5	Low	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.6	173.8	-70	0	0	0	0	109.2	Y168 A175 L186 F213 S215 S243	Y168-V232 HydrophobicContact CD2-CG1 3.79Å; Y168-V232 HydrophobicContact CD2-CG2 4.3Å; Y168-V232 HydrophobicContact CE2-CG1 4.43Å; Y168-V232 HydrophobicContact CE2-CG2 4.39Å; A175-V232 HydrophobicContact CB-CG1 4Å; L186-V232 HydrophobicContact CD1-CG2 4.22Å; L186-V232 HydrophobicContact CD2-CG2 3.91Å; F213-V232 HydrophobicContact CD1-CB 3.99Å; F213-V232 HydrophobicContact CD1-CG2 4.33Å; F213-V232 HydrophobicContact CE1-CB 3.86Å; F213-V232 HydrophobicContact CE1-CG1 4.3Å; F213-V232 HydrophobicContact CE1-CG2 3.75Å; S215-V232 WeakPolarHBondContact OG-CA 3.38Å; V232-S243 PolarHBondContact N-O 3.11Å; V232-S243 PolarHBondContact O-N 2.76Å
233	N	86.5	Confident	68	Low	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.4	173.6	-72	-47.2	0	0	0	109.8	F213 C214 S215 C241 I242 E274 W278 M298	F213-N233 CarbonylContact C-O 3.6Å; F213-N233 WeakPolarHBondContact CA-O 3.34Å; C214-N233 PolarHBondContact N-O 3.47Å; S215-N233 PolarHBondContact OG-N 2.83Å; N233-C241 CarbonylContact C-O 3.51Å; N233-C241 VanDerWaalsContact CA-O 3.24Å; N233-C241 WeakPolarHBondContact CA-O 3.24Å; N233-I242 WeakPolarHBondContact OD1-CB 3.14Å; N233-I242 WeakPolarHBondContact OD1-CG1 3.46Å; N233-E274 PolarHBondContact ND2-OE1 2.91Å; N233-W278 WeakPolarHBondContact ND2-CH2 3.4Å; N233-W278 WeakPolarHBondContact ND2-CZ3 3.12Å; N233-W278 WeakPolarHBondContact OD1-CZ3 3.38Å; N233-M298 HydrophobicContact CB-CE 3.98Å
234	I	87.6	Confident	70.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.9	-177.7	-57.7	165	0	0	0	107.3	L177 L186 V204 F213 I240 C241	L177-I234 HydrophobicContact CD1-CG1 4.42Å; L177-I234 HydrophobicContact CD1-CG2 4.02Å; L177-I234 HydrophobicContact CD2-CD1 3.77Å; L177-I234 HydrophobicContact CD2-CG1 4.03Å; L177-I234 HydrophobicContact CD2-CG2 4.05Å; L186-I234 HydrophobicContact CD2-CD1 4.38Å; V204-I234 HydrophobicContact CG1-CD1 4.11Å; F213-I234 HydrophobicContact CD1-CG1 4.27Å; F213-I234 HydrophobicContact CE1-CG1 4.21Å; I234-I240 CarbonylContact O-C 3.52Å; I234-I240 WeakPolarHBondContact O-CA 3.47Å; I234-C241 PolarHBondContact N-O 2.81Å; I234-C241 PolarHBondContact O-N 2.88Å
235	M	86.7	Confident	72.9	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.039	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.2	173.3	-168.1	177.7	81.1	0	0	109.9	F211 R212 C214 I240 F269 T270 A271 C272	F211-M235 WeakPolarHBondContact CA-O 3.19Å; R212-M235 HydrophobicContact CG-CB 4.13Å; R212-M235 HydrophobicContact CG-CE 3.88Å; R212-M235 PolarHBondContact N-O 2.87Å; R212-M235 VanDerWaalsContact N-O 3.12Å; R212-M235 PolarHBondContact O-N 3.33Å; C214-M235 HydrophobicContact CB-CB 4.29Å; M235-I240 HydrophobicContact CB-CG1 4.46Å; M235-I240 HydrophobicContact CG-CG1 3.98Å; M235-F269 HydrophobicContact CG-CB 4.11Å; M235-F269 HydrophobicContact SD-CB 3.92Å; M235-T270 WeakPolarHBondContact CE-O 3.11Å; M235-A271 VanDerWaalsContact SD-C 3.51Å; M235-C272 VanDerWaalsContact CB-SG 3.53Å; M235-C272 HydrophobicContact SD-CB 4.21Å; M235-C272 PolarHBondContact SD-SG 3.05Å
236	T	80.5	Confident	75.2	Confident	12 Å²	12	43.1 Å²	43.1	7%	0.074	21%	0.208	C	C	.	.			trans	-113.6	177.1	164	78.2	0	0	0	0	108.9	F206 F211 N238 E239	F206-T236 HydrophobicContact CB-CG2 3.93Å; F206-T236 HydrophobicContact CD1-CG2 4.16Å; F206-T236 HydrophobicContact CD2-CG2 3.85Å; F206-T236 HydrophobicContact CE2-CG2 4.48Å; F206-T236 HydrophobicContact CG-CG2 3.7Å; F211-T236 HydrophobicContact CD1-CG2 3.82Å; F211-T236 HydrophobicContact CE1-CG2 3.85Å; T236-N238 PolarHBondContact O-N 3.2Å; T236-N238 PolarHBondContact OG1-N 2.74Å; T236-E239 WeakPolarHBondContact CA-O 3.06Å; T236-E239 WeakPolarHBondContact CB-O 3.16Å; T236-E239 PolarHBondContact N-O 2.97Å; T236-E239 PolarHBondContact OG1-N 3Å; T236-E239 PolarHBondContact OG1-O 2.87Å
237	R	77.5	Confident	77.5	Confident	128 Å²	128	44.8 Å²	44.8	48%	0.483	21%	0.21	S	C	.	.	S	Bend	trans	-55.7	-33.6	175.8	-164.8	-177	-179.8	152.4	0	113.4	L210 I268 F269	L210-R237 HydrophobicContact CD1-CB 3.89Å; L210-R237 HydrophobicContact CD1-CG 4.11Å; R237-I268 HydrophobicContact CG-CB 4.36Å; R237-I268 HydrophobicContact CG-CG1 4.21Å; R237-I268 HydrophobicContact CG-CG2 3.66Å; R237-I268 VanDerWaalsContact NH2-CD1 3.29Å; R237-I268 CarbonylContact O-C 3.54Å; R237-I268 WeakPolarHBondContact O-CA 3.29Å; R237-F269 PolarHBondContact O-N 3.07Å
238	N	77	Confident	79.7	Confident	57 Å²	57	42.4 Å²	42.4	31%	0.305	20%	0.201	S	C	.	.	S	Bend	trans	-126.2	-8.7	-170.1	-56.2	-13.6	0	0	0	113.7	T236 V267 F269	T236-N238 PolarHBondContact O-N 3.2Å; T236-N238 PolarHBondContact OG1-N 2.74Å; N238-V267 PolarHBondContact OD1-O 2.77Å; N238-F269 VanDerWaalsContact C-CD2 3.45Å; N238-F269 VanDerWaalsContact C-CE2 3.4Å; N238-F269 WeakPolarHBondContact O-CE2 3.33Å
239	E	82	Confident	81.6	Confident	75 Å²	75	39 Å²	39	35%	0.35	18%	0.182	S	C	.	.			trans	-143.9	145.8	-172.6	-67.6	169.9	136.6	0	0	109.6	F206 T236	F206-E239 VanDerWaalsContact CD1-OE2 3.28Å; F206-E239 WeakPolarHBondContact CD1-OE2 3.45Å; F206-E239 HydrophobicContact CE1-CB 4.38Å; F206-E239 WeakPolarHBondContact CE1-OE2 3.47Å; T236-E239 WeakPolarHBondContact CA-O 3.06Å; T236-E239 WeakPolarHBondContact CB-O 3.16Å; T236-E239 PolarHBondContact N-O 2.97Å; T236-E239 PolarHBondContact OG1-N 3Å; T236-E239 PolarHBondContact OG1-O 2.87Å
240	I	86.2	Confident	83.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.6	169.4	-63.7	164.7	0	0	0	106.2	I234 M235 L251 M253 F269 C272 M298 V300	I234-I240 CarbonylContact O-C 3.52Å; I234-I240 WeakPolarHBondContact O-CA 3.47Å; M235-I240 HydrophobicContact CB-CG1 4.46Å; M235-I240 HydrophobicContact CG-CG1 3.98Å; I240-L251 HydrophobicContact CG2-CD1 4.09Å; I240-L251 WeakPolarHBondContact O-CA 3.44Å; I240-L251 WeakPolarHBondContact O-CB 3.42Å; I240-L251 PolarHBondContact O-N 2.84Å; I240-M253 HydrophobicContact CB-CE 4.38Å; I240-M253 HydrophobicContact CD1-CE 3.35Å; I240-M253 HydrophobicContact CG1-CE 4.43Å; I240-M253 HydrophobicContact CG2-CE 4.39Å; I240-F269 HydrophobicContact CD1-CD1 4.33Å; I240-F269 HydrophobicContact CD1-CD2 4.34Å; I240-F269 HydrophobicContact CD1-CE1 4.43Å; I240-F269 HydrophobicContact CD1-CE2 4.42Å; I240-F269 HydrophobicContact CD1-CG 4.29Å; I240-F269 HydrophobicContact CD1-CZ 4.48Å; I240-F269 HydrophobicContact CG1-CD2 4.11Å; I240-F269 HydrophobicContact CG1-CE2 4.3Å; I240-F269 HydrophobicContact CG1-CG 4.45Å; I240-C272 HydrophobicContact CD1-CB 3.86Å; I240-M298 HydrophobicContact CD1-SD 4.39Å; I240-M298 HydrophobicContact CG2-SD 4.05Å; I240-V300 HydrophobicContact CD1-CG1 3.98Å; I240-V300 HydrophobicContact CD1-CG2 4.27Å
241	C	86.2	Confident	83.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.2	-177.7	-62.6	0	0	0	0	110.8	F206 N233 I234 I249	F206-C241 HydrophobicContact CE2-CB 4.15Å; F206-C241 WeakPolarHBondContact CE2-SG 3.49Å; F206-C241 HydrophobicContact CZ-CB 4.43Å; F206-C241 WeakPolarHBondContact CZ-SG 3.23Å; N233-C241 CarbonylContact C-O 3.51Å; N233-C241 VanDerWaalsContact CA-O 3.24Å; N233-C241 WeakPolarHBondContact CA-O 3.24Å; I234-C241 PolarHBondContact N-O 2.81Å; I234-C241 PolarHBondContact O-N 2.88Å; C241-I249 CarbonylContact C-O 3.59Å; C241-I249 VanDerWaalsContact CA-O 3.25Å; C241-I249 WeakPolarHBondContact CA-O 3.39Å; C241-I249 WeakPolarHBondContact CB-O 3.33Å
242	I	86.1	Confident	84	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.1	165.8	-166.6	172.3	0	0	0	108.7	N233 C248 I249 L251 W278 F281 L317	N233-I242 WeakPolarHBondContact OD1-CB 3.14Å; N233-I242 WeakPolarHBondContact OD1-CG1 3.46Å; I242-C248 WeakPolarHBondContact O-CA 3.45Å; I242-I249 PolarHBondContact N-O 2.86Å; I242-I249 PolarHBondContact O-N 3.42Å; I242-L251 HydrophobicContact CB-CD1 4.19Å; I242-L251 HydrophobicContact CB-CD2 3.98Å; I242-L251 HydrophobicContact CB-CG 4.12Å; I242-L251 HydrophobicContact CG2-CD2 3.68Å; I242-L251 HydrophobicContact CG2-CG 4.24Å; I242-W278 HydrophobicContact CD1-CE3 3.62Å; I242-W278 HydrophobicContact CD1-CZ3 3.74Å; I242-W278 HydrophobicContact CG1-CZ3 4.35Å; I242-F281 HydrophobicContact CB-CD1 4.49Å; I242-F281 HydrophobicContact CB-CE1 4.47Å; I242-F281 HydrophobicContact CD1-CB 3.77Å; I242-F281 HydrophobicContact CD1-CD1 3.27Å; I242-F281 HydrophobicContact CD1-CE1 3.95Å; I242-F281 HydrophobicContact CD1-CG 3.67Å; I242-F281 HydrophobicContact CG1-CD1 3.56Å; I242-F281 HydrophobicContact CG1-CE1 3.68Å; I242-F281 HydrophobicContact CG1-CG 4.21Å; I242-F281 HydrophobicContact CG1-CZ 4.43Å; I242-F281 HydrophobicContact CG2-CD1 4.2Å; I242-F281 HydrophobicContact CG2-CD2 4.08Å; I242-F281 HydrophobicContact CG2-CE1 4.23Å; I242-F281 HydrophobicContact CG2-CE2 4.13Å; I242-F281 HydrophobicContact CG2-CG 4.1Å; I242-F281 HydrophobicContact CG2-CZ 4.2Å; I242-L317 HydrophobicContact CG2-CD2 3.83Å
243	S	86.4	Confident	83.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.9	-178	-164.8	0	0	0	0	111.7	L186 L202 S231 V232 Y247	L186-S243 WeakPolarHBondContact CD2-OG 3.38Å; L202-S243 WeakPolarHBondContact CD2-OG 3.25Å; S231-S243 CarbonylContact C-O 3.55Å; S231-S243 WeakPolarHBondContact CA-O 3.32Å; S231-S243 WeakPolarHBondContact CB-O 3.35Å; V232-S243 PolarHBondContact N-O 3.11Å; V232-S243 PolarHBondContact O-N 2.76Å; S243-Y247 CarbonylContact C-O 3.5Å; S243-Y247 VanDerWaalsContact CA-O 3.23Å; S243-Y247 WeakPolarHBondContact CA-O 3.44Å; S243-Y247 PolarHBondContact OG-O 2.86Å
244	N	85.2	Confident	82.3	Confident	26 Å²	26	36.7 Å²	36.7	14%	0.139	17%	0.173	C	C	.	.			trans	-122.6	-169.7	164	66.9	26.8	0	0	0	109.7	Y168 R230 N246 Y247 F281	Y168-N244 VanDerWaalsContact OH-CA 3.27Å; Y168-N244 WeakPolarHBondContact OH-CA 2.9Å; R230-N244 WeakPolarHBondContact O-CA 3.39Å; R230-N244 WeakPolarHBondContact O-CB 3.43Å; N244-N246 PolarHBondContact O-N 2.84Å; N244-N246 VanDerWaalsContact O-N 3.14Å; N244-N246 PolarHBondContact OD1-N 2.97Å; N244-Y247 PolarHBondContact N-O 3.02Å; N244-Y247 PolarHBondContact OD1-N 2.88Å; N244-Y247 PolarHBondContact OD1-O 2.68Å; N244-F281 HydrophobicContact CB-CE1 3.66Å; N244-F281 HydrophobicContact CB-CZ 3.86Å; N244-F281 VanDerWaalsContact ND2-CZ 3.26Å; N244-F281 WeakPolarHBondContact ND2-CZ 3.08Å
245	Y	82.8	Confident	80.6	Confident	41 Å²	41	40.3 Å²	40.3	16%	0.161	19%	0.192	C	C	.	.	S	Bend	trans	-54.9	-31.2	179.3	-63.3	-59.3	0	0	0	114.8	Y168 E173 T188 S200 R230	Y168-Y245 AromaticContact CD1-CE1 3.85Å; Y168-Y245 HydrophobicContact CD1-CE1 3.85Å; Y168-Y245 AromaticContact CD1-CZ 3.94Å; Y168-Y245 AromaticContact CE1-CD1 3.86Å; Y168-Y245 HydrophobicContact CE1-CD1 3.86Å; Y168-Y245 HydrophobicContact CE1-CD2 4.28Å; Y168-Y245 AromaticContact CE1-CE1 3.29Å; Y168-Y245 HydrophobicContact CE1-CE1 3.29Å; Y168-Y245 AromaticContact CE1-CE2 3.77Å; Y168-Y245 HydrophobicContact CE1-CE2 3.77Å; Y168-Y245 HydrophobicContact CE1-CG 4.33Å; Y168-Y245 AromaticContact CE1-CZ 3.24Å; Y168-Y245 WeakPolarHBondContact CE1-OH 3.27Å; Y168-Y245 AromaticContact CZ-CD1 3.95Å; Y168-Y245 AromaticContact CZ-CE1 3.86Å; Y168-Y245 PolarHBondContact OH-N 3.19Å; E173-Y245 PolarHBondContact OE1-OH 3.27Å; E173-Y245 VanDerWaalsContact OE1-OH 3.14Å; E173-Y245 WeakPolarHBondContact OE2-CE1 3.32Å; E173-Y245 PolarHBondContact OE2-OH 2.95Å; T188-Y245 HydrophobicContact CG2-CD1 4.26Å; T188-Y245 HydrophobicContact CG2-CE1 4.25Å; S200-Y245 PolarHBondContact OG-O 3.33Å; R230-Y245 HydrophobicContact CB-CE2 4.43Å; R230-Y245 HydrophobicContact CG-CE2 4.26Å
246	N	82.5	Confident	78.6	Confident	113 Å²	113	42.1 Å²	42.1	60%	0.604	20%	0.204	S	C	*	.	S	Bend	trans	-112.5	-23.4	-167.5	-63.6	-19.6	0	0	0	113	N244	N244-N246 PolarHBondContact O-N 2.84Å; N244-N246 VanDerWaalsContact O-N 3.14Å; N244-N246 PolarHBondContact OD1-N 2.97Å
247	Y	84.1	Confident	76.7	Confident	108 Å²	108	48.7 Å²	48.7	42%	0.424	23%	0.228	S	C	.	.			trans	-140.6	136.5	-168.9	-56	-80.1	0	0	0	111	S243 N244 P283	S243-Y247 CarbonylContact C-O 3.5Å; S243-Y247 VanDerWaalsContact CA-O 3.23Å; S243-Y247 WeakPolarHBondContact CA-O 3.44Å; S243-Y247 PolarHBondContact OG-O 2.86Å; N244-Y247 PolarHBondContact N-O 3.02Å; N244-Y247 PolarHBondContact OD1-N 2.88Å; N244-Y247 PolarHBondContact OD1-O 2.68Å; Y247-P283 HydrophobicContact CD1-CB 4.33Å; Y247-P283 HydrophobicContact CD1-CG 4.47Å; Y247-P283 HydrophobicContact CD2-CB 4.05Å; Y247-P283 HydrophobicContact CD2-CG 3.47Å; Y247-P283 VanDerWaalsContact CD2-CG 3.47Å; Y247-P283 HydrophobicContact CE2-CB 4.41Å; Y247-P283 HydrophobicContact CE2-CG 3.57Å; Y247-P283 HydrophobicContact CG-CB 3.98Å; Y247-P283 HydrophobicContact CG-CG 3.94Å
248	C	86.3	Confident	74.8	Confident	25 Å²	25	47.5 Å²	47.5	17%	0.169	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.5	166.8	-178.9	0	0	0	0	107.3	L202 V204 I242	L202-C248 HydrophobicContact CD2-CB 3.76Å; V204-C248 HydrophobicContact CG1-CB 4.5Å; I242-C248 WeakPolarHBondContact O-CA 3.45Å
249	I	84.9	Confident	72.8	Confident	39 Å²	39	53.2 Å²	53.2	20%	0.2	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135	-171.1	-55.7	-177.2	0	0	0	109.5	C241 I242 F281 P283 L317	C241-I249 CarbonylContact C-O 3.59Å; C241-I249 VanDerWaalsContact CA-O 3.25Å; C241-I249 WeakPolarHBondContact CA-O 3.39Å; C241-I249 WeakPolarHBondContact CB-O 3.33Å; I242-I249 PolarHBondContact N-O 2.86Å; I242-I249 PolarHBondContact O-N 3.42Å; I249-F281 HydrophobicContact CD1-CE2 4.11Å; I249-P283 HydrophobicContact CD1-CB 3.41Å; I249-P283 VanDerWaalsContact CD1-CB 3.41Å; I249-L317 HydrophobicContact CB-CD2 4.17Å; I249-L317 HydrophobicContact CG2-CD2 3.73Å
250	P	84.6	Confident	70.6	Confident	39 Å²	39	53.1 Å²	53.1	25%	0.253	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	137.5	174	26.7	-35	0	0	0	111.9
251	L	84.7	Confident	68.1	Low	10 Å²	10	58.2 Å²	58.2	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.9	166.7	-62.9	-177.3	0	0	0	109.1	I240 I242 M253 W278 I288 P315 L317	I240-L251 HydrophobicContact CG2-CD1 4.09Å; I240-L251 WeakPolarHBondContact O-CA 3.44Å; I240-L251 WeakPolarHBondContact O-CB 3.42Å; I240-L251 PolarHBondContact O-N 2.84Å; I242-L251 HydrophobicContact CB-CD1 4.19Å; I242-L251 HydrophobicContact CB-CD2 3.98Å; I242-L251 HydrophobicContact CB-CG 4.12Å; I242-L251 HydrophobicContact CG2-CD2 3.68Å; I242-L251 HydrophobicContact CG2-CG 4.24Å; L251-M253 HydrophobicContact CB-CG 4.01Å; L251-M253 HydrophobicContact CB-SD 4.43Å; L251-M253 WeakPolarHBondContact O-CG 3.47Å; L251-W278 HydrophobicContact CD1-CH2 3.57Å; L251-W278 HydrophobicContact CD1-CZ3 3.72Å; L251-I288 HydrophobicContact CD2-CD1 3.7Å; L251-P315 HydrophobicContact CB-CB 4.35Å; L251-P315 HydrophobicContact CD1-CB 4.1Å; L251-P315 HydrophobicContact CD2-CB 4.26Å; L251-P315 HydrophobicContact CG-CB 4.5Å; L251-L317 HydrophobicContact CD2-CD2 3.69Å; L251-L317 HydrophobicContact CD2-CG 4.4Å
252	Y	80.5	Confident	66.2	Low	71 Å²	71	70.3 Å²	70.3	28%	0.278	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-84.2	125.7	170.5	-58.1	-81.8	0	0	0	108.8	P315 S316 P319 N322	Y252-P315 WeakPolarHBondContact O-CA 3.3Å; Y252-S316 WeakPolarHBondContact CD2-O 3.37Å; Y252-S316 PolarHBondContact N-O 2.99Å; Y252-S316 PolarHBondContact O-N 3.41Å; Y252-P319 VanDerWaalsContact CD1-CA 3.49Å; Y252-P319 HydrophobicContact CD1-CB 3.95Å; Y252-P319 HydrophobicContact CD1-CG 4.34Å; Y252-P319 HydrophobicContact CD2-CG 4.41Å; Y252-P319 HydrophobicContact CE1-CB 3.75Å; Y252-P319 HydrophobicContact CE1-CG 3.74Å; Y252-P319 HydrophobicContact CE2-CB 4.38Å; Y252-P319 VanDerWaalsContact CE2-CD 3.46Å; Y252-P319 HydrophobicContact CE2-CG 3.83Å; Y252-P319 VanDerWaalsContact CG-CA 3.42Å; Y252-P319 HydrophobicContact CG-CB 4.33Å; Y252-P319 VanDerWaalsContact CZ-CG 3.45Å; Y252-N322 WeakPolarHBondContact O-CB 3.46Å
253	M	72.4	Confident	64.1	Low	5 Å²	5	80.5 Å²	80.5	3%	0.025	38%	0.377	C	S	.	.			trans	-134.2	-22.5	-162.9	-67.6	-91.9	-86.8	0	0	112.4	I240 L251 M298 V300 V313 P315 N322	I240-M253 HydrophobicContact CB-CE 4.38Å; I240-M253 HydrophobicContact CD1-CE 3.35Å; I240-M253 HydrophobicContact CG1-CE 4.43Å; I240-M253 HydrophobicContact CG2-CE 4.39Å; L251-M253 HydrophobicContact CB-CG 4.01Å; L251-M253 HydrophobicContact CB-SD 4.43Å; L251-M253 WeakPolarHBondContact O-CG 3.47Å; M253-M298 HydrophobicContact CE-CB 3.85Å; M253-M298 HydrophobicContact CE-CG 3.69Å; M253-M298 HydrophobicContact CE-SD 3.11Å; M253-M298 WeakPolarHBondContact CE-SD 3.48Å; M253-M298 HydrophobicContact SD-CB 4.23Å; M253-M298 HydrophobicContact SD-SD 4.17Å; M253-V300 HydrophobicContact CE-CB 4.48Å; M253-V300 HydrophobicContact CE-CG2 3.12Å; M253-V300 HydrophobicContact SD-CG2 4.38Å; M253-V313 HydrophobicContact CB-CG2 4.16Å; M253-V313 HydrophobicContact CE-CG2 3.88Å; M253-V313 HydrophobicContact CG-CG2 4.49Å; M253-V313 WeakPolarHBondContact O-CG1 3.42Å; M253-V313 HydrophobicContact SD-CG2 3.46Å; M253-V313 WeakPolarHBondContact SD-CG2 3.39Å; M253-P315 HydrophobicContact SD-CB 3.54Å; M253-P315 VanDerWaalsContact SD-CB 3.54Å; M253-P315 HydrophobicContact SD-CG 4.31Å; M253-N322 VanDerWaalsContact C-ND2 3.25Å; M253-N322 PolarHBondContact O-ND2 3.5Å
254	L	64	Low	62.1	Low	13 Å²	13	91.9 Å²	91.9	7%	0.068	42%	0.421	C	S	.	.			trans	-133.4	132	179.5	-73	158.1	0	0	0	110.2	T256 V267 F269 F309 N322	L254-T256 HydrophobicContact CB-CG2 4.14Å; L254-T256 WeakPolarHBondContact CB-OG1 3.14Å; L254-T256 HydrophobicContact CD2-CG2 4.36Å; L254-T256 PolarHBondContact O-N 2.75Å; L254-T256 VanDerWaalsContact O-N 3.08Å; L254-V267 HydrophobicContact CD1-CG1 3.88Å; L254-V267 HydrophobicContact CD1-CG2 4.49Å; L254-F269 HydrophobicContact CD1-CE1 3.59Å; L254-F269 HydrophobicContact CD1-CZ 3.93Å; L254-F309 HydrophobicContact CD1-CE2 3.93Å; L254-F309 HydrophobicContact CD1-CZ 3.79Å; L254-N322 VanDerWaalsContact CA-ND2 3.34Å; L254-N322 WeakPolarHBondContact CA-ND2 3.47Å; L254-N322 PolarHBondContact N-ND2 3.48Å; L254-N322 VanDerWaalsContact N-ND2 3.19Å
255	N	51.6	Low	60.5	Low	75 Å²	75	94.2 Å²	94.2	40%	0.401	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	4.9	168.8	-93.2	-21	0	0	0	112.5	Y257 N258 N322	N255-Y257 PolarHBondContact O-N 2.86Å; N255-Y257 VanDerWaalsContact O-N 3.15Å; N255-N258 PolarHBondContact O-N 2.93Å; N255-N322 PolarHBondContact N-ND2 2.8Å; N255-N322 VanDerWaalsContact N-ND2 3.15Å; N255-N322 PolarHBondContact OD1-OD1 2.84Å
256	T	45.1	Very low	59.7	Low	46 Å²	46	99.2 Å²	99.2	28%	0.282	46%	0.456	S	S	.	.	H	α-helix	trans	-63.1	-18.4	179.5	50.4	0	0	0	0	113.1	L254 N258	L254-T256 HydrophobicContact CB-CG2 4.14Å; L254-T256 WeakPolarHBondContact CB-OG1 3.14Å; L254-T256 HydrophobicContact CD2-CG2 4.36Å; L254-T256 PolarHBondContact O-N 2.75Å; L254-T256 VanDerWaalsContact O-N 3.08Å; T256-N258 PolarHBondContact O-N 2.9Å
257	Y	41.6	Very low	59.4	Low	151 Å²	151	94.6 Å²	94.6	59%	0.592	43%	0.431	S	S	*	.	H	α-helix	trans	-63.2	-25.9	170.9	-78.7	-80.8	0	0	0	113.4	N255	N255-Y257 PolarHBondContact O-N 2.86Å; N255-Y257 VanDerWaalsContact O-N 3.15Å
258	N	37	Very low	59.2	Low	103 Å²	103	91.4 Å²	91.4	55%	0.551	42%	0.421	S	S	*	.	H	α-helix	trans	-108	-18.5	-169.2	-79.9	-11.6	0	0	0	115.7	N255 T256 H320	N255-N258 PolarHBondContact O-N 2.93Å; T256-N258 PolarHBondContact O-N 2.9Å; N258-H320 PolarHBondContact ND2-CE1 2.72Å; N258-H320 PolarHBondContact ND2-ND1 3.41Å; N258-H320 VanDerWaalsContact ND2-ND1 3.19Å
259	Q	33.9	Very low	59.1	Low	176 Å²	176	91.1 Å²	91.1	82%	0.822	42%	0.417	S	S	*	.	H	α-helix	trans	-99.9	-4.1	-176.3	-71.2	-166.4	-5.8	0	0	115.5
260	L	36	Very low	59.1	Low	73 Å²	73	89.7 Å²	89.7	38%	0.382	41%	0.41	S	S	.	.	S	Bend	trans	-112.1	96.9	178.4	-69.6	163.6	0	0	0	110	R262 N265 D305	L260-R262 PolarHBondContact O-N 3.28Å; L260-R262 VanDerWaalsContact O-N 3.14Å; L260-N265 HydrophobicContact CD1-CB 4.15Å; L260-D305 WeakPolarHBondContact CD1-OD2 3.08Å
261	S	33.4	Very low	59.2	Low	108 Å²	108	87.8 Å²	87.8	76%	0.755	40%	0.398	S	S	*	.			trans	-45.7	114.4	172.6	55.1	0	0	0	0	112.4	R263	S261-R263 VanDerWaalsContact C-N 3.29Å; S261-R263 PolarHBondContact O-N 3.02Å
262	R	46.7	Very low	59.4	Low	254 Å²	254	87.6 Å²	87.6	96%	0.958	40%	0.397	S	S	*	.	S	Bend	trans	52	15.5	148.8	-78.9	-172	170.9	178.2	-1.6	120.3	L260	L260-R262 PolarHBondContact O-N 3.28Å; L260-R262 VanDerWaalsContact O-N 3.14Å
263	R	42	Very low	59.7	Low	214 Å²	214	84.4 Å²	84.4	81%	0.808	39%	0.385	S	S	*	.	S	Bend	trans	-132.8	122.8	168.6	-72.8	-170.8	176.7	-177.5	0.7	110.7	S261 N265	S261-R263 VanDerWaalsContact C-N 3.29Å; S261-R263 PolarHBondContact O-N 3.02Å; R263-N265 PolarHBondContact O-N 2.87Å; R263-N265 PolarHBondContact O-OD1 3.15Å
264	R	45.8	Very low	60.2	Low	240 Å²	240	84.9 Å²	84.9	91%	0.906	39%	0.388	S	S	*	.			trans	-3	39.7	159.1	-66.1	179.7	173	171.8	-1.2	119.7	K266	R264-K266 VanDerWaalsContact C-N 3.28Å; R264-K266 PolarHBondContact O-N 3.33Å
265	N	49.8	Very low	61	Low	74 Å²	74	84.5 Å²	84.5	40%	0.396	39%	0.386	S	S	.	.			trans	-81.7	82.2	175.9	-73.8	8.6	0	0	0	107.4	L260 R263 V267 D305	L260-N265 HydrophobicContact CD1-CB 4.15Å; R263-N265 PolarHBondContact O-N 2.87Å; R263-N265 PolarHBondContact O-OD1 3.15Å; N265-V267 PolarHBondContact O-N 3.19Å; N265-D305 WeakPolarHBondContact CB-OD1 3.43Å; N265-D305 PolarHBondContact ND2-OD1 2.65Å; N265-D305 PolarHBondContact ND2-OD2 3.14Å; N265-D305 PolarHBondContact OD1-OD1 2.91Å
266	K	67.6	Low	62	Low	147 Å²	147	81.6 Å²	81.6	64%	0.639	37%	0.372	S	S	*	.			trans	-75	106.4	179.4	-70	-176.7	178	-176.8	0	108.3	R264 I268	R264-K266 VanDerWaalsContact C-N 3.28Å; R264-K266 PolarHBondContact O-N 3.33Å; K266-I268 PolarHBondContact O-N 2.89Å
267	V	75.1	Confident	63.1	Low	15 Å²	15	81.1 Å²	81.1	9%	0.091	37%	0.369	C	S	.	.			trans	-58.4	130.9	160.7	177	0	0	0	0	107.8	N238 L254 N265 F269 F309	N238-V267 PolarHBondContact OD1-O 2.77Å; L254-V267 HydrophobicContact CD1-CG1 3.88Å; L254-V267 HydrophobicContact CD1-CG2 4.49Å; N265-V267 PolarHBondContact O-N 3.19Å; V267-F269 HydrophobicContact CG1-CD1 4.18Å; V267-F269 HydrophobicContact CG1-CE1 3.81Å; V267-F269 HydrophobicContact CG1-CZ 4.03Å; V267-F309 HydrophobicContact CG1-CE1 3.81Å; V267-F309 HydrophobicContact CG1-CZ 3.8Å
268	I	79.9	Confident	64.2	Low	42 Å²	42	74.1 Å²	74.1	22%	0.215	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.6	172.5	-65.5	163.9	0	0	0	107.5	R237 K266 T270 G302 V303	R237-I268 HydrophobicContact CG-CB 4.36Å; R237-I268 HydrophobicContact CG-CG1 4.21Å; R237-I268 HydrophobicContact CG-CG2 3.66Å; R237-I268 VanDerWaalsContact NH2-CD1 3.29Å; R237-I268 CarbonylContact O-C 3.54Å; R237-I268 WeakPolarHBondContact O-CA 3.29Å; K266-I268 PolarHBondContact O-N 2.89Å; I268-T270 HydrophobicContact CG2-CG2 4.26Å; I268-G302 CarbonylContact O-C 3.58Å; I268-G302 WeakPolarHBondContact O-CA 3.44Å; I268-V303 PolarHBondContact N-O 2.84Å; I268-V303 PolarHBondContact O-N 3.35Å
269	F	84.8	Confident	65.4	Low	18 Å²	18	74.6 Å²	74.6	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.6	169.4	-60.5	-58.8	0	0	0	110.3	M235 R237 N238 I240 L254 V267 V300 F309	M235-F269 HydrophobicContact CG-CB 4.11Å; M235-F269 HydrophobicContact SD-CB 3.92Å; R237-F269 PolarHBondContact O-N 3.07Å; N238-F269 VanDerWaalsContact C-CD2 3.45Å; N238-F269 VanDerWaalsContact C-CE2 3.4Å; N238-F269 WeakPolarHBondContact O-CE2 3.33Å; I240-F269 HydrophobicContact CD1-CD1 4.33Å; I240-F269 HydrophobicContact CD1-CD2 4.34Å; I240-F269 HydrophobicContact CD1-CE1 4.43Å; I240-F269 HydrophobicContact CD1-CE2 4.42Å; I240-F269 HydrophobicContact CD1-CG 4.29Å; I240-F269 HydrophobicContact CD1-CZ 4.48Å; I240-F269 HydrophobicContact CG1-CD2 4.11Å; I240-F269 HydrophobicContact CG1-CE2 4.3Å; I240-F269 HydrophobicContact CG1-CG 4.45Å; L254-F269 HydrophobicContact CD1-CE1 3.59Å; L254-F269 HydrophobicContact CD1-CZ 3.93Å; V267-F269 HydrophobicContact CG1-CD1 4.18Å; V267-F269 HydrophobicContact CG1-CE1 3.81Å; V267-F269 HydrophobicContact CG1-CZ 4.03Å; F269-V300 HydrophobicContact CD1-CG1 3.31Å; F269-V300 HydrophobicContact CE1-CG1 3.37Å; F269-V300 HydrophobicContact CG-CG1 4.4Å; F269-V300 HydrophobicContact CZ-CG1 4.49Å; F269-F309 AromaticContact CD1-CZ 3.96Å; F269-F309 HydrophobicContact CD1-CZ 3.96Å; F269-F309 HydrophobicContact CE1-CE2 4.44Å; F269-F309 AromaticContact CE1-CZ 3.94Å; F269-F309 HydrophobicContact CE1-CZ 3.94Å
270	T	84.4	Confident	67	Low	9 Å²	9	68 Å²	68	6%	0.055	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-28.2	-179	64.8	0	0	0	0	111	R212 M235 I268 A301 E347 I348	R212-T270 PolarHBondContact NH1-O 2.86Å; R212-T270 VanDerWaalsContact NH1-O 3.08Å; M235-T270 WeakPolarHBondContact CE-O 3.11Å; I268-T270 HydrophobicContact CG2-CG2 4.26Å; T270-A301 PolarHBondContact N-O 3.05Å; T270-A301 PolarHBondContact OG1-O 3.03Å; T270-E347 WeakPolarHBondContact CB-OE1 3.48Å; T270-E347 HydrophobicContact CG2-CG 3.64Å; T270-E347 WeakPolarHBondContact CG2-OE1 3.45Å; T270-I348 CarbonylContact C-O 3.42Å; T270-I348 WeakPolarHBondContact CB-O 3.4Å; T270-I348 PolarHBondContact OG1-O 2.94Å
271	A	87.1	Confident	68.7	Low	0 Å²	0	65.2 Å²	65.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	150.3	169.2	0	0	0	0	0	113.2	M235 A301 I348 L351	M235-A271 VanDerWaalsContact SD-C 3.51Å; A271-A301 HydrophobicContact CB-CB 4.39Å; A271-A301 PolarHBondContact N-O 3.01Å; A271-A301 PolarHBondContact O-N 3.3Å; A271-I348 HydrophobicContact CB-CG2 3.96Å; A271-L351 HydrophobicContact CB-CB 4.37Å; A271-L351 HydrophobicContact CB-CD1 3.85Å; A271-L351 HydrophobicContact CB-CG 3.67Å
272	C	88.4	Confident	70.6	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.3	162.4	44.9	0	0	0	0	110.6	C214 M235 I240 M298 Y299	C214-C272 HydrophobicContact CB-CB 3.93Å; C214-C272 WeakPolarHBondContact CB-O 3.42Å; C214-C272 WeakPolarHBondContact CB-SG 3.44Å; C214-C272 WeakPolarHBondContact SG-CB 3.41Å; C214-C272 CovalentContact SG-SG 2.05Å; C214-C272 PolarHBondContact SG-SG 2.79Å; M235-C272 VanDerWaalsContact CB-SG 3.53Å; M235-C272 HydrophobicContact SD-CB 4.21Å; M235-C272 PolarHBondContact SD-SG 3.05Å; I240-C272 HydrophobicContact CD1-CB 3.86Å; C272-M298 HydrophobicContact CB-CG 4.36Å; C272-M298 HydrophobicContact CB-SD 4.03Å; C272-Y299 VanDerWaalsContact CA-O 3.22Å; C272-Y299 WeakPolarHBondContact CA-O 3.25Å; C272-Y299 WeakPolarHBondContact CB-O 3.43Å
273	C	86.6	Confident	71.7	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.034	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147.4	162.3	70.7	0	0	0	0	110	A275 M298 Y299 L351	C273-A275 PolarHBondContact O-N 2.73Å; C273-M298 WeakPolarHBondContact O-CG 3.41Å; C273-Y299 PolarHBondContact N-O 2.82Å; C273-Y299 PolarHBondContact O-N 3.45Å; C273-L351 HydrophobicContact CB-CB 3.95Å; C273-L351 WeakPolarHBondContact CB-O 3.41Å
274	E	83.3	Confident	73.2	Confident	15 Å²	15	47.3 Å²	47.3	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.6	170.6	-70.4	171.3	-147.2	0	0	110.3	S215 S216 N233 W278 M298 C353	S215-E274 WeakPolarHBondContact CA-OE1 3.47Å; S215-E274 WeakPolarHBondContact CB-OE1 3.43Å; S216-E274 WeakPolarHBondContact OG-CB 3.31Å; N233-E274 PolarHBondContact ND2-OE1 2.91Å; E274-W278 HydrophobicContact CG-CD2 4.45Å; E274-W278 HydrophobicContact CG-CZ2 4.14Å; E274-M298 HydrophobicContact CG-CE 3.82Å; E274-C353 WeakPolarHBondContact O-CB 3.44Å
275	A	80.4	Confident	74.6	Confident	5 Å²	5	43.5 Å²	43.5	4%	0.041	22%	0.223	C	C	.	.	S	Bend	trans	-95.5	-8.8	175.9	0	0	0	0	0	111.8	C273 L297 Y299 L312 R361	C273-A275 PolarHBondContact O-N 2.73Å; A275-L297 HydrophobicContact CB-CB 3.95Å; A275-L297 WeakPolarHBondContact CB-O 3.38Å; A275-L297 PolarHBondContact N-O 3.33Å; A275-Y299 HydrophobicContact CB-CD2 3.46Å; A275-Y299 VanDerWaalsContact CB-CD2 3.46Å; A275-Y299 HydrophobicContact CB-CE2 3.42Å; A275-Y299 VanDerWaalsContact CB-CE2 3.42Å; A275-Y299 HydrophobicContact CB-CG 4.34Å; A275-L312 HydrophobicContact CB-CD1 3.72Å; A275-R361 WeakPolarHBondContact O-CD 3.42Å; A275-R361 VanDerWaalsContact O-CG 3.26Å; A275-R361 WeakPolarHBondContact O-CG 3.45Å
276	S	73.8	Confident	75.7	Confident	13 Å²	13	46.1 Å²	46.1	9%	0.091	23%	0.231	C	C	.	.	S	Bend	trans	-149.8	143.5	-179.9	63	0	0	0	0	108.3	W278 Q295 P296 L297	S276-W278 PolarHBondContact O-N 3.49Å; S276-W278 PolarHBondContact O-NE1 2.91Å; S276-W278 PolarHBondContact OG-NE1 3.08Å; S276-Q295 PolarHBondContact OG-O 2.77Å; S276-P296 WeakPolarHBondContact OG-CA 3.46Å; S276-L297 PolarHBondContact N-O 2.79Å; S276-L297 PolarHBondContact OG-N 3.08Å
277	T	66.7	Low	76.1	Confident	36 Å²	36	41.2 Å²	41.2	22%	0.221	22%	0.215	C	C	.	.			trans	-67.6	127	175.6	45.8	0	0	0	0	111.4	L218 V291	L218-T277 HydrophobicContact CB-CG2 3.92Å; L218-T277 HydrophobicContact CD1-CG2 3.58Å; L218-T277 HydrophobicContact CG-CG2 4.39Å; T277-V291 WeakPolarHBondContact O-CG2 3.24Å; T277-V291 PolarHBondContact O-N 2.85Å; T277-V291 WeakPolarHBondContact OG1-CB 3.5Å; T277-V291 WeakPolarHBondContact OG1-CG2 3.47Å
278	W	65.5	Low	76.1	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.019	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.8	176.9	-58.4	-4.2	0	0	0	110.1	S229 N233 I242 L251 E274 S276 I288 P296 M298 P315	S229-W278 WeakPolarHBondContact CB-O 3.11Å; N233-W278 WeakPolarHBondContact ND2-CH2 3.4Å; N233-W278 WeakPolarHBondContact ND2-CZ3 3.12Å; N233-W278 WeakPolarHBondContact OD1-CZ3 3.38Å; I242-W278 HydrophobicContact CD1-CE3 3.62Å; I242-W278 HydrophobicContact CD1-CZ3 3.74Å; I242-W278 HydrophobicContact CG1-CZ3 4.35Å; L251-W278 HydrophobicContact CD1-CH2 3.57Å; L251-W278 HydrophobicContact CD1-CZ3 3.72Å; E274-W278 HydrophobicContact CG-CD2 4.45Å; E274-W278 HydrophobicContact CG-CZ2 4.14Å; S276-W278 PolarHBondContact O-N 3.49Å; S276-W278 PolarHBondContact O-NE1 2.91Å; S276-W278 PolarHBondContact OG-NE1 3.08Å; W278-I288 HydrophobicContact CD2-CG2 4.03Å; W278-I288 HydrophobicContact CE3-CG2 4.07Å; W278-I288 HydrophobicContact CG-CG2 4.19Å; W278-P296 HydrophobicContact CD2-CB 4.44Å; W278-P296 HydrophobicContact CG-CB 4.38Å; W278-M298 HydrophobicContact CH2-CE 3.61Å; W278-M298 HydrophobicContact CH2-SD 4.35Å; W278-M298 HydrophobicContact CZ2-CB 4.29Å; W278-M298 HydrophobicContact CZ2-CE 3.94Å; W278-M298 HydrophobicContact CZ3-CE 4.48Å; W278-P315 HydrophobicContact CH2-CB 4.28Å; W278-P315 HydrophobicContact CH2-CG 3.78Å; W278-P315 HydrophobicContact CZ2-CG 3.58Å
279	K	61.6	Low	75.6	Confident	112 Å²	112	45.6 Å²	45.6	49%	0.487	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-38.2	-178.5	-176.8	172.6	-178.6	172.7	0	112.5	N228 S229 K289 S290 V291	N228-K279 CarbonylContact C-O 3.45Å; S229-K279 WeakPolarHBondContact CA-O 3.36Å; S229-K279 WeakPolarHBondContact CB-O 3.47Å; S229-K279 PolarHBondContact N-O 2.75Å; K279-K289 PolarHBondContact N-O 2.79Å; K279-S290 WeakPolarHBondContact CB-O 3.44Å; K279-V291 HydrophobicContact CB-CG2 4.03Å
280	S	67.1	Low	74.7	Confident	38 Å²	38	45.2 Å²	45.2	27%	0.266	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	158.5	-178.5	58	0	0	0	0	109	K289	S280-K289 PolarHBondContact N-O 3.2Å; S280-K289 WeakPolarHBondContact O-CA 3.14Å; S280-K289 WeakPolarHBondContact O-CB 3.38Å; S280-K289 PolarHBondContact O-N 2.92Å
281	F	72.2	Confident	73.7	Confident	14 Å²	14	46.2 Å²	46.2	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.7	161.3	73.3	-80.7	0	0	0	110.5	I242 N244 I249 P283 C287 I288 L317	I242-F281 HydrophobicContact CB-CD1 4.49Å; I242-F281 HydrophobicContact CB-CE1 4.47Å; I242-F281 HydrophobicContact CD1-CB 3.77Å; I242-F281 HydrophobicContact CD1-CD1 3.27Å; I242-F281 HydrophobicContact CD1-CE1 3.95Å; I242-F281 HydrophobicContact CD1-CG 3.67Å; I242-F281 HydrophobicContact CG1-CD1 3.56Å; I242-F281 HydrophobicContact CG1-CE1 3.68Å; I242-F281 HydrophobicContact CG1-CG 4.21Å; I242-F281 HydrophobicContact CG1-CZ 4.43Å; I242-F281 HydrophobicContact CG2-CD1 4.2Å; I242-F281 HydrophobicContact CG2-CD2 4.08Å; I242-F281 HydrophobicContact CG2-CE1 4.23Å; I242-F281 HydrophobicContact CG2-CE2 4.13Å; I242-F281 HydrophobicContact CG2-CG 4.1Å; I242-F281 HydrophobicContact CG2-CZ 4.2Å; N244-F281 HydrophobicContact CB-CE1 3.66Å; N244-F281 HydrophobicContact CB-CZ 3.86Å; N244-F281 VanDerWaalsContact ND2-CZ 3.26Å; N244-F281 WeakPolarHBondContact ND2-CZ 3.08Å; I249-F281 HydrophobicContact CD1-CE2 4.11Å; F281-P283 HydrophobicContact CD2-CB 4.43Å; F281-P283 HydrophobicContact CE2-CB 4.12Å; F281-P283 HydrophobicContact CE2-CG 4.49Å; F281-C287 WeakPolarHBondContact CA-O 3.34Å; F281-I288 HydrophobicContact CB-CG1 4.32Å; F281-L317 HydrophobicContact CB-CD1 4.43Å; F281-L317 HydrophobicContact CD2-CD1 4.43Å
282	N	73.2	Confident	72.4	Confident	53 Å²	53	52 Å²	52	28%	0.283	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.5	170.8	-172.9	-40.9	0	0	0	108.4	V284 K285 K286 C287	N282-V284 VanDerWaalsContact C-N 3.32Å; N282-V284 PolarHBondContact O-N 2.84Å; N282-V284 WeakPolarHBondContact OD1-CA 3.3Å; N282-V284 WeakPolarHBondContact OD1-CB 3.23Å; N282-V284 PolarHBondContact OD1-N 2.79Å; N282-K285 HydrophobicContact CB-CB 4.02Å; N282-K285 PolarHBondContact OD1-N 3.03Å; N282-K286 WeakPolarHBondContact O-CA 3.29Å; N282-K286 PolarHBondContact O-N 2.77Å; N282-C287 PolarHBondContact N-O 3.47Å; N282-C287 PolarHBondContact O-N 2.83Å
283	P	69.4	Low	71.1	Confident	25 Å²	25	55.2 Å²	55.2	16%	0.162	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-35.8	-178.6	26.9	-34.6	0	0	0	111.9	Y247 I249 F281 K286	Y247-P283 HydrophobicContact CD1-CB 4.33Å; Y247-P283 HydrophobicContact CD1-CG 4.47Å; Y247-P283 HydrophobicContact CD2-CB 4.05Å; Y247-P283 HydrophobicContact CD2-CG 3.47Å; Y247-P283 VanDerWaalsContact CD2-CG 3.47Å; Y247-P283 HydrophobicContact CE2-CB 4.41Å; Y247-P283 HydrophobicContact CE2-CG 3.57Å; Y247-P283 HydrophobicContact CG-CB 3.98Å; Y247-P283 HydrophobicContact CG-CG 3.94Å; I249-P283 HydrophobicContact CD1-CB 3.41Å; I249-P283 VanDerWaalsContact CD1-CB 3.41Å; F281-P283 HydrophobicContact CD2-CB 4.43Å; F281-P283 HydrophobicContact CE2-CB 4.12Å; F281-P283 HydrophobicContact CE2-CG 4.49Å; P283-K286 PolarHBondContact O-N 2.81Å
284	V	73.7	Confident	70.2	Confident	123 Å²	123	59.5 Å²	59.5	75%	0.745	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-46.1	-179.6	-177.2	0	0	0	0	110.9	N282 K286	N282-V284 VanDerWaalsContact C-N 3.32Å; N282-V284 PolarHBondContact O-N 2.84Å; N282-V284 WeakPolarHBondContact OD1-CA 3.3Å; N282-V284 WeakPolarHBondContact OD1-CB 3.23Å; N282-V284 PolarHBondContact OD1-N 2.79Å; V284-K286 PolarHBondContact O-N 3.42Å
285	K	75.6	Confident	69.8	Low	159 Å²	159	63.9 Å²	63.9	69%	0.691	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.8	177.7	-62.9	-173.1	178.7	-171.5	0	113.3	N282 C287	N282-K285 HydrophobicContact CB-CB 4.02Å; N282-K285 PolarHBondContact OD1-N 3.03Å; K285-C287 PolarHBondContact O-N 2.79Å; K285-C287 VanDerWaalsContact O-N 3.16Å
286	K	74.2	Confident	69.7	Low	130 Å²	130	64.1 Å²	64.1	57%	0.565	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.4	44.6	-175.2	-62	-172.8	-180	-176.8	0	112.8	N282 P283 V284 L317 T318	N282-K286 WeakPolarHBondContact O-CA 3.29Å; N282-K286 PolarHBondContact O-N 2.77Å; P283-K286 PolarHBondContact O-N 2.81Å; V284-K286 PolarHBondContact O-N 3.42Å; K286-L317 HydrophobicContact CB-CB 4Å; K286-T318 HydrophobicContact CB-CG2 4.34Å; K286-T318 HydrophobicContact CD-CG2 3.97Å
287	C	74.9	Confident	70.2	Confident	44 Å²	44	64.1 Å²	64.1	30%	0.297	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.4	179.2	68	0	0	0	0	111.8	F281 N282 K285	F281-C287 WeakPolarHBondContact CA-O 3.34Å; N282-C287 PolarHBondContact N-O 3.47Å; N282-C287 PolarHBondContact O-N 2.83Å; K285-C287 PolarHBondContact O-N 2.79Å; K285-C287 VanDerWaalsContact O-N 3.16Å
288	I	75.3	Confident	71.2	Confident	24 Å²	24	62.4 Å²	62.4	12%	0.123	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.1	173.2	-55.8	169.7	0	0	0	106.4	L251 W278 F281 P296 P315 L317	L251-I288 HydrophobicContact CD2-CD1 3.7Å; W278-I288 HydrophobicContact CD2-CG2 4.03Å; W278-I288 HydrophobicContact CE3-CG2 4.07Å; W278-I288 HydrophobicContact CG-CG2 4.19Å; F281-I288 HydrophobicContact CB-CG1 4.32Å; I288-P296 HydrophobicContact CB-CB 4.21Å; I288-P296 HydrophobicContact CB-CG 3.92Å; I288-P296 HydrophobicContact CG2-CB 3.62Å; I288-P296 HydrophobicContact CG2-CG 3.91Å; I288-P315 HydrophobicContact CD1-CB 3.99Å; I288-P315 HydrophobicContact CD1-CG 4.15Å; I288-L317 HydrophobicContact CD1-CG 4.28Å; I288-L317 HydrophobicContact CG1-CD1 3.89Å; I288-L317 HydrophobicContact CG1-CG 4.03Å
289	K	69.7	Low	72.3	Confident	125 Å²	125	62.2 Å²	62.2	54%	0.543	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.5	173.8	-64.9	-173.8	175.8	-174.3	0	108.4	K279 S280	K279-K289 PolarHBondContact N-O 2.79Å; S280-K289 PolarHBondContact N-O 3.2Å; S280-K289 WeakPolarHBondContact O-CA 3.14Å; S280-K289 WeakPolarHBondContact O-CB 3.38Å; S280-K289 PolarHBondContact O-N 2.92Å
290	S	65.6	Low	73.6	Confident	10 Å²	10	56.9 Å²	56.9	7%	0.07	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	167.9	169.2	64.5	0	0	0	0	111.9	K279 R294	K279-S290 WeakPolarHBondContact CB-O 3.44Å; S290-R294 WeakPolarHBondContact CB-O 3.49Å; S290-R294 VanDerWaalsContact OG-C 3.27Å; S290-R294 PolarHBondContact OG-N 2.9Å; S290-R294 PolarHBondContact OG-O 3.1Å
291	V	63.1	Low	74.6	Confident	29 Å²	29	55 Å²	55	18%	0.176	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-70.6	141.3	161.2	-178.2	0	0	0	0	108.9	L226 T277 K279 G293	L226-V291 HydrophobicContact CD2-CG2 4.32Å; T277-V291 WeakPolarHBondContact O-CG2 3.24Å; T277-V291 PolarHBondContact O-N 2.85Å; T277-V291 WeakPolarHBondContact OG1-CB 3.5Å; T277-V291 WeakPolarHBondContact OG1-CG2 3.47Å; K279-V291 HydrophobicContact CB-CG2 4.03Å; V291-G293 PolarHBondContact O-N 2.88Å; V291-G293 VanDerWaalsContact O-N 3.14Å
292	N	60.4	Low	75.1	Confident	122 Å²	122	54.6 Å²	54.6	65%	0.652	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	61	17.9	178	-55.8	-22.2	0	0	0	116.3	R294	N292-R294 PolarHBondContact O-N 2.9Å
293	G	61.3	Low	75.4	Confident	73 Å²	73	53.1 Å²	53.1	75%	0.753	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	73.7	10.6	175	0	0	0	0	0	115.1	V291	V291-G293 PolarHBondContact O-N 2.88Å; V291-G293 VanDerWaalsContact O-N 3.14Å
294	R	67.4	Low	75.7	Confident	94 Å²	94	52.8 Å²	52.8	36%	0.355	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-68.7	168.6	175.4	-64.9	-173.9	175.7	-161.7	-5	112	S290 N292 S358 G359 D360	S290-R294 WeakPolarHBondContact CB-O 3.49Å; S290-R294 VanDerWaalsContact OG-C 3.27Å; S290-R294 PolarHBondContact OG-N 2.9Å; S290-R294 PolarHBondContact OG-O 3.1Å; N292-R294 PolarHBondContact O-N 2.9Å; R294-S358 VanDerWaalsContact CZ-O 3.31Å; R294-S358 PolarHBondContact NH1-O 3.39Å; R294-S358 PolarHBondContact NH2-O 2.97Å; R294-G359 PolarHBondContact NH1-O 3.19Å; R294-D360 IonicContact CZ-OD1 3.26Å; R294-D360 VanDerWaalsContact CZ-OD1 3.26Å; R294-D360 VanDerWaalsContact NH1-N 3.19Å; R294-D360 IonicContact NH1-OD1 3.64Å; R294-D360 PolarHBondContact NH1-OD1 3.15Å; R294-D360 IonicContact NH2-OD1 2.77Å; R294-D360 PolarHBondContact NH2-OD1 3.07Å
295	Q	74.3	Confident	75.6	Confident	107 Å²	107	50.2 Å²	50.2	50%	0.5	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-71.2	137.8	169.3	-74.2	171.1	-20	0	0	109.6	S276 L297	S276-Q295 PolarHBondContact OG-O 2.77Å; Q295-L297 HydrophobicContact CB-CD1 4.34Å; Q295-L297 HydrophobicContact CB-CD2 4.18Å; Q295-L297 HydrophobicContact CB-CG 4.15Å; Q295-L297 PolarHBondContact O-N 2.76Å
296	P	78.7	Confident	75.2	Confident	10 Å²	10	45 Å²	45	7%	0.065	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-71.1	120.1	170.6	29.7	-30.2	0	0	0	108	S276 W278 I288 P315	S276-P296 WeakPolarHBondContact OG-CA 3.46Å; W278-P296 HydrophobicContact CD2-CB 4.44Å; W278-P296 HydrophobicContact CG-CB 4.38Å; I288-P296 HydrophobicContact CB-CB 4.21Å; I288-P296 HydrophobicContact CB-CG 3.92Å; I288-P296 HydrophobicContact CG2-CB 3.62Å; I288-P296 HydrophobicContact CG2-CG 3.91Å; P296-P315 HydrophobicContact CB-CG 4.43Å; P296-P315 VanDerWaalsContact O-CD 3.27Å; P296-P315 WeakPolarHBondContact O-CD 3.33Å
297	L	84.4	Confident	75.1	Confident	14 Å²	14	43.8 Å²	43.8	7%	0.073	24%	0.242	C	C	.	.			trans	-125.6	148.2	-175.3	-62	175.8	0	0	0	110.5	A275 S276 Q295 L312 V313 E314 L325	A275-L297 HydrophobicContact CB-CB 3.95Å; A275-L297 WeakPolarHBondContact CB-O 3.38Å; A275-L297 PolarHBondContact N-O 3.33Å; S276-L297 PolarHBondContact N-O 2.79Å; S276-L297 PolarHBondContact OG-N 3.08Å; Q295-L297 HydrophobicContact CB-CD1 4.34Å; Q295-L297 HydrophobicContact CB-CD2 4.18Å; Q295-L297 HydrophobicContact CB-CG 4.15Å; Q295-L297 PolarHBondContact O-N 2.76Å; L297-L312 HydrophobicContact CB-CD1 4.04Å; L297-V313 WeakPolarHBondContact CA-O 3.48Å; L297-E314 HydrophobicContact CD2-CB 3.9Å; L297-E314 HydrophobicContact CD2-CG 4.41Å; L297-L325 HydrophobicContact CD1-CD1 3.98Å; L297-L325 HydrophobicContact CD2-CD1 3.35Å; L297-L325 HydrophobicContact CD2-CG 4.48Å; L297-L325 HydrophobicContact CG-CD1 4.34Å
298	M	86.9	Confident	75.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138	179.9	-166.3	167.5	-101.5	0	0	110.4	N233 I240 M253 C272 C273 E274 W278 V300 V313	N233-M298 HydrophobicContact CB-CE 3.98Å; I240-M298 HydrophobicContact CD1-SD 4.39Å; I240-M298 HydrophobicContact CG2-SD 4.05Å; M253-M298 HydrophobicContact CE-CB 3.85Å; M253-M298 HydrophobicContact CE-CG 3.69Å; M253-M298 HydrophobicContact CE-SD 3.11Å; M253-M298 WeakPolarHBondContact CE-SD 3.48Å; M253-M298 HydrophobicContact SD-CB 4.23Å; M253-M298 HydrophobicContact SD-SD 4.17Å; C272-M298 HydrophobicContact CB-CG 4.36Å; C272-M298 HydrophobicContact CB-SD 4.03Å; C273-M298 WeakPolarHBondContact O-CG 3.41Å; E274-M298 HydrophobicContact CG-CE 3.82Å; W278-M298 HydrophobicContact CH2-CE 3.61Å; W278-M298 HydrophobicContact CH2-SD 4.35Å; W278-M298 HydrophobicContact CZ2-CB 4.29Å; W278-M298 HydrophobicContact CZ2-CE 3.94Å; W278-M298 HydrophobicContact CZ3-CE 4.48Å; M298-V300 HydrophobicContact CG-CG2 4.21Å; M298-V313 HydrophobicContact CB-CG2 4.33Å; M298-V313 PolarHBondContact N-O 3.31Å; M298-V313 WeakPolarHBondContact O-CG2 3.49Å; M298-V313 PolarHBondContact O-N 3.29Å
299	Y	89	Confident	75.6	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.5	164.8	-67.9	-76.3	0	0	0	109.5	C272 C273 A275 S311 L312 Y328 C353 R361 L364 D378	C272-Y299 VanDerWaalsContact CA-O 3.22Å; C272-Y299 WeakPolarHBondContact CA-O 3.25Å; C272-Y299 WeakPolarHBondContact CB-O 3.43Å; C273-Y299 PolarHBondContact N-O 2.82Å; C273-Y299 PolarHBondContact O-N 3.45Å; A275-Y299 HydrophobicContact CB-CD2 3.46Å; A275-Y299 VanDerWaalsContact CB-CD2 3.46Å; A275-Y299 HydrophobicContact CB-CE2 3.42Å; A275-Y299 VanDerWaalsContact CB-CE2 3.42Å; A275-Y299 HydrophobicContact CB-CG 4.34Å; Y299-S311 CarbonylContact C-O 3.52Å; Y299-S311 WeakPolarHBondContact CA-O 3.44Å; Y299-L312 HydrophobicContact CD1-CB 4.06Å; Y299-L312 HydrophobicContact CD1-CD1 3.9Å; Y299-L312 HydrophobicContact CD2-CD1 4.42Å; Y299-L312 HydrophobicContact CE1-CB 3.92Å; Y299-L312 HydrophobicContact CE1-CD1 3.71Å; Y299-L312 HydrophobicContact CE1-CG 4.26Å; Y299-L312 HydrophobicContact CE2-CD1 4.24Å; Y299-L312 HydrophobicContact CG-CD1 4.27Å; Y299-Y328 HydrophobicContact CD1-CE2 4.4Å; Y299-Y328 HydrophobicContact CE1-CE2 4.15Å; Y299-C353 HydrophobicContact CD2-CB 4.18Å; Y299-C353 HydrophobicContact CE2-CB 4.15Å; Y299-R361 WeakPolarHBondContact OH-CD 3.5Å; Y299-R361 PolarHBondContact OH-NE 3.35Å; Y299-L364 HydrophobicContact CD1-CD2 3.63Å; Y299-L364 HydrophobicContact CD2-CD1 3.72Å; Y299-L364 HydrophobicContact CD2-CD2 4.29Å; Y299-L364 HydrophobicContact CD2-CG 4.44Å; Y299-L364 HydrophobicContact CE1-CD2 4.02Å; Y299-L364 HydrophobicContact CE2-CB 4.37Å; Y299-L364 HydrophobicContact CE2-CD1 4.2Å; Y299-L364 HydrophobicContact CG-CD1 3.92Å; Y299-L364 HydrophobicContact CG-CD2 3.77Å; Y299-L364 HydrophobicContact CG-CG 4.38Å; Y299-D378 PolarHBondContact OH-OD1 2.88Å
300	V	89.4	Confident	76.5	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.4	-175.5	-169.4	0	0	0	0	109.1	I240 M253 F269 M298 F309 L310 S311 V313	I240-V300 HydrophobicContact CD1-CG1 3.98Å; I240-V300 HydrophobicContact CD1-CG2 4.27Å; M253-V300 HydrophobicContact CE-CB 4.48Å; M253-V300 HydrophobicContact CE-CG2 3.12Å; M253-V300 HydrophobicContact SD-CG2 4.38Å; F269-V300 HydrophobicContact CD1-CG1 3.31Å; F269-V300 HydrophobicContact CE1-CG1 3.37Å; F269-V300 HydrophobicContact CG-CG1 4.4Å; F269-V300 HydrophobicContact CZ-CG1 4.49Å; M298-V300 HydrophobicContact CG-CG2 4.21Å; V300-F309 HydrophobicContact CB-CE2 4.4Å; V300-F309 HydrophobicContact CG1-CE2 3.97Å; V300-F309 HydrophobicContact CG1-CZ 4.45Å; V300-L310 CarbonylContact O-C 3.51Å; V300-L310 WeakPolarHBondContact O-CA 3.25Å; V300-S311 PolarHBondContact N-O 3.18Å; V300-S311 PolarHBondContact O-N 3.46Å; V300-V313 HydrophobicContact CG2-CG2 3.68Å
301	A	88	Confident	77.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.8	172.3	0	0	0	0	0	111.3	T270 A271 F309 L310 I348 L351	T270-A301 PolarHBondContact N-O 3.05Å; T270-A301 PolarHBondContact OG1-O 3.03Å; A271-A301 HydrophobicContact CB-CB 4.39Å; A271-A301 PolarHBondContact N-O 3.01Å; A271-A301 PolarHBondContact O-N 3.3Å; A301-F309 VanDerWaalsContact CA-O 3.23Å; A301-F309 WeakPolarHBondContact CA-O 3.41Å; A301-L310 HydrophobicContact CB-CD1 4.09Å; A301-I348 HydrophobicContact CB-CB 3.68Å; A301-I348 HydrophobicContact CB-CD1 3.68Å; A301-I348 HydrophobicContact CB-CG1 4.24Å; A301-I348 HydrophobicContact CB-CG2 3.58Å; A301-L351 HydrophobicContact CB-CD1 3.98Å
302	G	83.6	Confident	78.7	Confident	4 Å²	4	34.2 Å²	34.2	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-168.6	177.5	0	0	0	0	0	114.2	I268 G308 F309	I268-G302 CarbonylContact O-C 3.58Å; I268-G302 WeakPolarHBondContact O-CA 3.44Å; G302-G308 WeakPolarHBondContact O-CA 3.24Å; G302-F309 PolarHBondContact N-O 2.8Å; G302-F309 VanDerWaalsContact O-CD1 3.24Å; G302-F309 WeakPolarHBondContact O-CD1 3.43Å; G302-F309 PolarHBondContact O-N 2.9Å
303	V	79.1	Confident	80	Confident	22 Å²	22	28.4 Å²	28.4	13%	0.133	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.2	175.3	-175.9	0	0	0	0	109.2	I268 K307 W333	I268-V303 PolarHBondContact N-O 2.84Å; I268-V303 PolarHBondContact O-N 3.35Å; V303-K307 CarbonylContact C-O 3.59Å; V303-K307 VanDerWaalsContact CA-O 3.31Å; V303-K307 WeakPolarHBondContact CA-O 3.04Å; V303-W333 HydrophobicContact CG2-CH2 4.34Å; V303-W333 HydrophobicContact CG2-CZ2 3.82Å
304	S	75.5	Confident	81.1	Confident	19 Å²	19	26.9 Å²	26.9	13%	0.133	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129	170.8	-173.2	0	0	0	0	108	S306 K307	S304-S306 VanDerWaalsContact C-N 3.26Å; S304-S306 PolarHBondContact O-N 3.36Å; S304-K307 PolarHBondContact N-O 3.24Å; S304-K307 WeakPolarHBondContact O-CA 3.46Å; S304-K307 WeakPolarHBondContact O-CB 3.22Å; S304-K307 PolarHBondContact O-N 2.94Å
305	D	71.4	Confident	82	Confident	68 Å²	68	22.7 Å²	22.7	36%	0.364	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	41.4	178	-57.8	-17.3	0	0	0	113.9	L260 N265 K307	L260-D305 WeakPolarHBondContact CD1-OD2 3.08Å; N265-D305 WeakPolarHBondContact CB-OD1 3.43Å; N265-D305 PolarHBondContact ND2-OD1 2.65Å; N265-D305 PolarHBondContact ND2-OD2 3.14Å; N265-D305 PolarHBondContact OD1-OD1 2.91Å; D305-K307 PolarHBondContact O-N 3.33Å; D305-K307 VanDerWaalsContact O-N 3.16Å
306	S	66.7	Low	82.5	Confident	50 Å²	50	18.1 Å²	18.1	35%	0.35	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	21.8	-174.2	-50.9	0	0	0	0	113.6	S304 W333	S304-S306 VanDerWaalsContact C-N 3.26Å; S304-S306 PolarHBondContact O-N 3.36Å; S306-W333 WeakPolarHBondContact O-CA 3.44Å; S306-W333 WeakPolarHBondContact O-CB 3.34Å; S306-W333 VanDerWaalsContact O-CD1 3.28Å; S306-W333 PolarHBondContact O-N 3.33Å; S306-W333 VanDerWaalsContact O-O 3.14Å
307	K	71.9	Confident	82.7	Confident	105 Å²	105	18.1 Å²	18.1	46%	0.457	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.1	173.4	-64.8	-176.6	-174.4	178	0	110	V303 S304 D305 Y332 W333	V303-K307 CarbonylContact C-O 3.59Å; V303-K307 VanDerWaalsContact CA-O 3.31Å; V303-K307 WeakPolarHBondContact CA-O 3.04Å; S304-K307 PolarHBondContact N-O 3.24Å; S304-K307 WeakPolarHBondContact O-CA 3.46Å; S304-K307 WeakPolarHBondContact O-CB 3.22Å; S304-K307 PolarHBondContact O-N 2.94Å; D305-K307 PolarHBondContact O-N 3.33Å; D305-K307 VanDerWaalsContact O-N 3.16Å; K307-Y332 HydrophobicContact CD-CD1 4.22Å; K307-Y332 HydrophobicContact CD-CE1 4.19Å; K307-Y332 HydrophobicContact CG-CD1 4.29Å; K307-W333 VanDerWaalsContact C-CD1 3.44Å
308	G	78.2	Confident	82.4	Confident	9 Å²	9	18.6 Å²	18.6	9%	0.093	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	137.8	174.9	0	0	0	0	0	106.8	G302 T330	G302-G308 WeakPolarHBondContact O-CA 3.24Å; G308-T330 WeakPolarHBondContact CA-OG1 3.11Å; G308-T330 PolarHBondContact O-OG1 3.11Å
309	F	83.3	Confident	81.7	Confident	20 Å²	20	21.4 Å²	21.4	9%	0.088	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.2	167.9	71.4	-88.7	0	0	0	108.8	L254 V267 F269 V300 A301 G302	L254-F309 HydrophobicContact CD1-CE2 3.93Å; L254-F309 HydrophobicContact CD1-CZ 3.79Å; V267-F309 HydrophobicContact CG1-CE1 3.81Å; V267-F309 HydrophobicContact CG1-CZ 3.8Å; F269-F309 AromaticContact CD1-CZ 3.96Å; F269-F309 HydrophobicContact CD1-CZ 3.96Å; F269-F309 HydrophobicContact CE1-CE2 4.44Å; F269-F309 AromaticContact CE1-CZ 3.94Å; F269-F309 HydrophobicContact CE1-CZ 3.94Å; V300-F309 HydrophobicContact CB-CE2 4.4Å; V300-F309 HydrophobicContact CG1-CE2 3.97Å; V300-F309 HydrophobicContact CG1-CZ 4.45Å; A301-F309 VanDerWaalsContact CA-O 3.23Å; A301-F309 WeakPolarHBondContact CA-O 3.41Å; G302-F309 PolarHBondContact N-O 2.8Å; G302-F309 VanDerWaalsContact O-CD1 3.24Å; G302-F309 WeakPolarHBondContact O-CD1 3.43Å; G302-F309 PolarHBondContact O-N 2.9Å
310	L	88.1	Confident	80.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.3	158.5	166.1	66.2	0	0	0	104.9	V300 A301 N327 Y328 T330 I348 L351 L364 V366 W376	V300-L310 CarbonylContact O-C 3.51Å; V300-L310 WeakPolarHBondContact O-CA 3.25Å; A301-L310 HydrophobicContact CB-CD1 4.09Å; L310-N327 PolarHBondContact O-OD1 2.87Å; L310-Y328 HydrophobicContact CB-CD2 4.42Å; L310-Y328 HydrophobicContact CD2-CD2 4.21Å; L310-Y328 HydrophobicContact CD2-CG 4.08Å; L310-Y328 HydrophobicContact CG-CD2 3.78Å; L310-Y328 HydrophobicContact CG-CG 4.06Å; L310-Y328 PolarHBondContact N-O 3.37Å; L310-Y328 WeakPolarHBondContact O-CA 3.48Å; L310-Y328 WeakPolarHBondContact O-CB 3.22Å; L310-Y328 WeakPolarHBondContact O-CD2 3.42Å; L310-Y328 PolarHBondContact O-N 2.9Å; L310-T330 HydrophobicContact CB-CG2 3.44Å; L310-T330 VanDerWaalsContact CB-CG2 3.44Å; L310-T330 HydrophobicContact CD2-CG2 4.43Å; L310-I348 HydrophobicContact CB-CD1 3.91Å; L310-I348 HydrophobicContact CD1-CD1 4.49Å; L310-I348 HydrophobicContact CD2-CD1 4.33Å; L310-I348 HydrophobicContact CG-CD1 4.49Å; L310-L351 HydrophobicContact CD1-CD1 4.08Å; L310-L351 HydrophobicContact CD1-CD2 3.99Å; L310-L364 HydrophobicContact CD1-CD2 3.85Å; L310-L364 HydrophobicContact CD2-CD2 3.92Å; L310-L364 HydrophobicContact CG-CD2 4.33Å; L310-V366 HydrophobicContact CD2-CG2 3.86Å; L310-W376 HydrophobicContact CD2-CD2 4.08Å; L310-W376 HydrophobicContact CD2-CG 4.19Å
311	S	87.3	Confident	79.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	144.7	-174.3	-69.8	0	0	0	0	111.1	Y299 V300 Q324 I326 N327	Y299-S311 CarbonylContact C-O 3.52Å; Y299-S311 WeakPolarHBondContact CA-O 3.44Å; V300-S311 PolarHBondContact N-O 3.18Å; V300-S311 PolarHBondContact O-N 3.46Å; S311-Q324 PolarHBondContact OG-NE2 3.48Å; S311-I326 CarbonylContact C-O 3.53Å; S311-I326 VanDerWaalsContact CA-O 3.24Å; S311-I326 WeakPolarHBondContact CA-O 3.3Å; S311-I326 WeakPolarHBondContact CB-O 3.42Å; S311-N327 PolarHBondContact OG-OD1 2.61Å; S311-N327 VanDerWaalsContact OG-OD1 3.05Å
312	L	88.2	Confident	79.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.5	164.6	179.8	67.8	0	0	0	108.3	A275 L297 Y299 L325 I326 Y328	A275-L312 HydrophobicContact CB-CD1 3.72Å; L297-L312 HydrophobicContact CB-CD1 4.04Å; Y299-L312 HydrophobicContact CD1-CB 4.06Å; Y299-L312 HydrophobicContact CD1-CD1 3.9Å; Y299-L312 HydrophobicContact CD2-CD1 4.42Å; Y299-L312 HydrophobicContact CE1-CB 3.92Å; Y299-L312 HydrophobicContact CE1-CD1 3.71Å; Y299-L312 HydrophobicContact CE1-CG 4.26Å; Y299-L312 HydrophobicContact CE2-CD1 4.24Å; Y299-L312 HydrophobicContact CG-CD1 4.27Å; L312-L325 HydrophobicContact CD2-CB 4.3Å; L312-L325 HydrophobicContact CD2-CD1 4.32Å; L312-L325 HydrophobicContact CG-CB 4.39Å; L312-L325 HydrophobicContact CG-CD1 4.47Å; L312-L325 PolarHBondContact O-N 2.92Å; L312-I326 HydrophobicContact CB-CB 3.95Å; L312-I326 HydrophobicContact CB-CG1 4.34Å; L312-I326 HydrophobicContact CD2-CD1 3.83Å; L312-I326 HydrophobicContact CD2-CG1 4.14Å; L312-I326 PolarHBondContact N-O 3.29Å; L312-I326 PolarHBondContact O-N 3.49Å; L312-Y328 HydrophobicContact CB-CE2 4.37Å
313	V	87.1	Confident	78.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.3	-174.9	-55.1	0	0	0	0	111.2	M253 L297 M298 V300 P315 I323 Q324	M253-V313 HydrophobicContact CB-CG2 4.16Å; M253-V313 HydrophobicContact CE-CG2 3.88Å; M253-V313 HydrophobicContact CG-CG2 4.49Å; M253-V313 WeakPolarHBondContact O-CG1 3.42Å; M253-V313 HydrophobicContact SD-CG2 3.46Å; M253-V313 WeakPolarHBondContact SD-CG2 3.39Å; L297-V313 WeakPolarHBondContact CA-O 3.48Å; M298-V313 HydrophobicContact CB-CG2 4.33Å; M298-V313 PolarHBondContact N-O 3.31Å; M298-V313 WeakPolarHBondContact O-CG2 3.49Å; M298-V313 PolarHBondContact O-N 3.29Å; V300-V313 HydrophobicContact CG2-CG2 3.68Å; V313-P315 WeakPolarHBondContact O-CD 3.4Å; V313-I323 CarbonylContact C-O 3.59Å; V313-I323 WeakPolarHBondContact CA-O 3.26Å; V313-Q324 HydrophobicContact CG1-CB 4.45Å; V313-Q324 HydrophobicContact CG1-CG 4.3Å
314	E	85.8	Confident	78.7	Confident	41 Å²	41	41.5 Å²	41.5	19%	0.192	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	104.5	160.7	-172.9	176	-178.5	0	0	108.6	L297 N322 I323	L297-E314 HydrophobicContact CD2-CB 3.9Å; L297-E314 HydrophobicContact CD2-CG 4.41Å; E314-N322 WeakPolarHBondContact O-CA 3.42Å; E314-I323 HydrophobicContact CB-CB 4.11Å; E314-I323 PolarHBondContact N-O 3.23Å; E314-I323 PolarHBondContact O-N 2.83Å
315	P	86	Confident	78.8	Confident	6 Å²	6	43.9 Å²	43.9	4%	0.039	22%	0.223	C	C	.	.			trans	-55.2	141.7	169.6	19	-34.1	0	0	0	111.8	L251 Y252 M253 W278 I288 P296 V313	L251-P315 HydrophobicContact CB-CB 4.35Å; L251-P315 HydrophobicContact CD1-CB 4.1Å; L251-P315 HydrophobicContact CD2-CB 4.26Å; L251-P315 HydrophobicContact CG-CB 4.5Å; Y252-P315 WeakPolarHBondContact O-CA 3.3Å; M253-P315 HydrophobicContact SD-CB 3.54Å; M253-P315 VanDerWaalsContact SD-CB 3.54Å; M253-P315 HydrophobicContact SD-CG 4.31Å; W278-P315 HydrophobicContact CH2-CB 4.28Å; W278-P315 HydrophobicContact CH2-CG 3.78Å; W278-P315 HydrophobicContact CZ2-CG 3.58Å; I288-P315 HydrophobicContact CD1-CB 3.99Å; I288-P315 HydrophobicContact CD1-CG 4.15Å; P296-P315 HydrophobicContact CB-CG 4.43Å; P296-P315 VanDerWaalsContact O-CD 3.27Å; P296-P315 WeakPolarHBondContact O-CD 3.33Å; V313-P315 WeakPolarHBondContact O-CD 3.4Å
316	S	83.1	Confident	79.2	Confident	12 Å²	12	41.9 Å²	41.9	8%	0.084	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-124.6	147.8	171.7	-168.5	0	0	0	0	111.7	Y252 T318 K321	Y252-S316 WeakPolarHBondContact CD2-O 3.37Å; Y252-S316 PolarHBondContact N-O 2.99Å; Y252-S316 PolarHBondContact O-N 3.41Å; S316-T318 WeakPolarHBondContact CB-O 3.18Å; S316-T318 PolarHBondContact OG-N 2.86Å; S316-T318 PolarHBondContact OG-O 3.26Å; S316-T318 VanDerWaalsContact OG-O 3.13Å; S316-T318 PolarHBondContact OG-OG1 3.15Å; S316-K321 WeakPolarHBondContact OG-CB 3.47Å
317	L	83	Confident	79.8	Confident	9 Å²	9	42.6 Å²	42.6	5%	0.047	21%	0.212	C	C	.	.	S	Bend	trans	-86.2	6.4	166.1	-65.2	169.7	0	0	0	112	I242 I249 L251 F281 K286 I288	I242-L317 HydrophobicContact CG2-CD2 3.83Å; I249-L317 HydrophobicContact CB-CD2 4.17Å; I249-L317 HydrophobicContact CG2-CD2 3.73Å; L251-L317 HydrophobicContact CD2-CD2 3.69Å; L251-L317 HydrophobicContact CD2-CG 4.4Å; F281-L317 HydrophobicContact CB-CD1 4.43Å; F281-L317 HydrophobicContact CD2-CD1 4.43Å; K286-L317 HydrophobicContact CB-CB 4Å; I288-L317 HydrophobicContact CD1-CG 4.28Å; I288-L317 HydrophobicContact CG1-CD1 3.89Å; I288-L317 HydrophobicContact CG1-CG 4.03Å
318	T	79.9	Confident	80	Confident	25 Å²	25	37.6 Å²	37.6	15%	0.153	19%	0.191	C	C	.	.	S	Bend	trans	-126.6	133.8	177.1	52.9	0	0	0	0	110.9	K286 S316 H320 K321	K286-T318 HydrophobicContact CB-CG2 4.34Å; K286-T318 HydrophobicContact CD-CG2 3.97Å; S316-T318 WeakPolarHBondContact CB-O 3.18Å; S316-T318 PolarHBondContact OG-N 2.86Å; S316-T318 PolarHBondContact OG-O 3.26Å; S316-T318 VanDerWaalsContact OG-O 3.13Å; S316-T318 PolarHBondContact OG-OG1 3.15Å; T318-H320 PolarHBondContact O-N 2.91Å; T318-K321 PolarHBondContact O-N 3.3Å; T318-K321 VanDerWaalsContact OG1-CB 3.25Å; T318-K321 WeakPolarHBondContact OG1-CB 3.47Å; T318-K321 VanDerWaalsContact OG1-CD 3.24Å; T318-K321 WeakPolarHBondContact OG1-CD 2.87Å; T318-K321 WeakPolarHBondContact OG1-CG 3.32Å
319	P	71	Confident	79.6	Confident	58 Å²	58	43 Å²	43	38%	0.377	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-16.3	-173.2	-20.6	22.6	0	0	0	117.5	Y252	Y252-P319 VanDerWaalsContact CD1-CA 3.49Å; Y252-P319 HydrophobicContact CD1-CB 3.95Å; Y252-P319 HydrophobicContact CD1-CG 4.34Å; Y252-P319 HydrophobicContact CD2-CG 4.41Å; Y252-P319 HydrophobicContact CE1-CB 3.75Å; Y252-P319 HydrophobicContact CE1-CG 3.74Å; Y252-P319 HydrophobicContact CE2-CB 4.38Å; Y252-P319 VanDerWaalsContact CE2-CD 3.46Å; Y252-P319 HydrophobicContact CE2-CG 3.83Å; Y252-P319 VanDerWaalsContact CG-CA 3.42Å; Y252-P319 HydrophobicContact CG-CB 4.33Å; Y252-P319 VanDerWaalsContact CZ-CG 3.45Å
320	H	69	Low	78.9	Confident	133 Å²	133	43.2 Å²	43.2	62%	0.616	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.8	12.3	-169	-53.9	-44	0	0	0	113.5	N258 T318	N258-H320 PolarHBondContact ND2-CE1 2.72Å; N258-H320 PolarHBondContact ND2-ND1 3.41Å; N258-H320 VanDerWaalsContact ND2-ND1 3.19Å; T318-H320 PolarHBondContact O-N 2.91Å
321	K	70.1	Confident	77.5	Confident	147 Å²	147	45.1 Å²	45.1	64%	0.639	24%	0.236	S	C	*	.			trans	-116.5	6.6	177.3	-58.5	-173.9	-176.7	-177.8	0	114.1	S316 T318	S316-K321 WeakPolarHBondContact OG-CB 3.47Å; T318-K321 PolarHBondContact O-N 3.3Å; T318-K321 VanDerWaalsContact OG1-CB 3.25Å; T318-K321 WeakPolarHBondContact OG1-CB 3.47Å; T318-K321 VanDerWaalsContact OG1-CD 3.24Å; T318-K321 WeakPolarHBondContact OG1-CD 2.87Å; T318-K321 WeakPolarHBondContact OG1-CG 3.32Å
322	N	72	Confident	75.5	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.032	27%	0.269	C	S	.	.			trans	-73.3	141.7	176.1	69.1	-77.3	0	0	0	109.9	Y252 M253 L254 N255 E314	Y252-N322 WeakPolarHBondContact O-CB 3.46Å; M253-N322 VanDerWaalsContact C-ND2 3.25Å; M253-N322 PolarHBondContact O-ND2 3.5Å; L254-N322 VanDerWaalsContact CA-ND2 3.34Å; L254-N322 WeakPolarHBondContact CA-ND2 3.47Å; L254-N322 PolarHBondContact N-ND2 3.48Å; L254-N322 VanDerWaalsContact N-ND2 3.19Å; N255-N322 PolarHBondContact N-ND2 2.8Å; N255-N322 VanDerWaalsContact N-ND2 3.15Å; N255-N322 PolarHBondContact OD1-OD1 2.84Å; E314-N322 WeakPolarHBondContact O-CA 3.42Å
323	I	73.8	Confident	73.6	Confident	82 Å²	82	55.1 Å²	55.1	42%	0.421	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.9	-177.9	-53.2	-176.1	0	0	0	107.6	V313 E314 L325	V313-I323 CarbonylContact C-O 3.59Å; V313-I323 WeakPolarHBondContact CA-O 3.26Å; E314-I323 HydrophobicContact CB-CB 4.11Å; E314-I323 PolarHBondContact N-O 3.23Å; E314-I323 PolarHBondContact O-N 2.83Å; I323-L325 HydrophobicContact CB-CD2 4.41Å; I323-L325 HydrophobicContact CG2-CD2 3.66Å; I323-L325 HydrophobicContact CG2-CG 4.5Å; I323-L325 PolarHBondContact O-N 2.79Å
324	Q	81	Confident	71	Confident	80 Å²	80	60 Å²	60	37%	0.374	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.6	166.4	-174.9	175.7	15.3	0	0	107.8	S311 V313	S311-Q324 PolarHBondContact OG-NE2 3.48Å; V313-Q324 HydrophobicContact CG1-CB 4.45Å; V313-Q324 HydrophobicContact CG1-CG 4.3Å
325	L	77	Confident	68.3	Low	69 Å²	69	63 Å²	63	36%	0.361	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-43	-176.6	-62.9	-179.6	0	0	0	111.6	L297 L312 I323	L297-L325 HydrophobicContact CD1-CD1 3.98Å; L297-L325 HydrophobicContact CD2-CD1 3.35Å; L297-L325 HydrophobicContact CD2-CG 4.48Å; L297-L325 HydrophobicContact CG-CD1 4.34Å; L312-L325 HydrophobicContact CD2-CB 4.3Å; L312-L325 HydrophobicContact CD2-CD1 4.32Å; L312-L325 HydrophobicContact CG-CB 4.39Å; L312-L325 HydrophobicContact CG-CD1 4.47Å; L312-L325 PolarHBondContact O-N 2.92Å; I323-L325 HydrophobicContact CB-CD2 4.41Å; I323-L325 HydrophobicContact CG2-CD2 3.66Å; I323-L325 HydrophobicContact CG2-CG 4.5Å; I323-L325 PolarHBondContact O-N 2.79Å
326	I	80.2	Confident	65.4	Low	27 Å²	27	70 Å²	70	14%	0.138	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.8	-178.6	-53.2	177.8	0	0	0	108.3	S311 L312 Y328 D378 P381	S311-I326 CarbonylContact C-O 3.53Å; S311-I326 VanDerWaalsContact CA-O 3.24Å; S311-I326 WeakPolarHBondContact CA-O 3.3Å; S311-I326 WeakPolarHBondContact CB-O 3.42Å; L312-I326 HydrophobicContact CB-CB 3.95Å; L312-I326 HydrophobicContact CB-CG1 4.34Å; L312-I326 HydrophobicContact CD2-CD1 3.83Å; L312-I326 HydrophobicContact CD2-CG1 4.14Å; L312-I326 PolarHBondContact N-O 3.29Å; L312-I326 PolarHBondContact O-N 3.49Å; I326-Y328 HydrophobicContact CB-CE2 4.01Å; I326-Y328 HydrophobicContact CG2-CD1 4.47Å; I326-Y328 HydrophobicContact CG2-CD2 4.07Å; I326-Y328 HydrophobicContact CG2-CE1 4.06Å; I326-Y328 HydrophobicContact CG2-CE2 3.59Å; I326-Y328 HydrophobicContact CG2-CG 4.49Å; I326-D378 HydrophobicContact CD1-CB 3.58Å; I326-P381 HydrophobicContact CG2-CB 3.67Å
327	N	80.7	Confident	62.8	Low	65 Å²	65	73.4 Å²	73.4	35%	0.348	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.5	169.9	-167.8	17.8	0	0	0	109.2	L310 S311	L310-N327 PolarHBondContact O-OD1 2.87Å; S311-N327 PolarHBondContact OG-OD1 2.61Å; S311-N327 VanDerWaalsContact OG-OD1 3.05Å
328	Y	76.2	Confident	60.1	Low	0 Å²	0	81.2 Å²	81.2	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.8	175.6	-55.5	-96.3	0	0	0	108.9	Y299 L310 L312 I326 T330 W376 D378 P381	Y299-Y328 HydrophobicContact CD1-CE2 4.4Å; Y299-Y328 HydrophobicContact CE1-CE2 4.15Å; L310-Y328 HydrophobicContact CB-CD2 4.42Å; L310-Y328 HydrophobicContact CD2-CD2 4.21Å; L310-Y328 HydrophobicContact CD2-CG 4.08Å; L310-Y328 HydrophobicContact CG-CD2 3.78Å; L310-Y328 HydrophobicContact CG-CG 4.06Å; L310-Y328 PolarHBondContact N-O 3.37Å; L310-Y328 WeakPolarHBondContact O-CA 3.48Å; L310-Y328 WeakPolarHBondContact O-CB 3.22Å; L310-Y328 WeakPolarHBondContact O-CD2 3.42Å; L310-Y328 PolarHBondContact O-N 2.9Å; L312-Y328 HydrophobicContact CB-CE2 4.37Å; I326-Y328 HydrophobicContact CB-CE2 4.01Å; I326-Y328 HydrophobicContact CG2-CD1 4.47Å; I326-Y328 HydrophobicContact CG2-CD2 4.07Å; I326-Y328 HydrophobicContact CG2-CE1 4.06Å; I326-Y328 HydrophobicContact CG2-CE2 3.59Å; I326-Y328 HydrophobicContact CG2-CG 4.49Å; Y328-T330 PolarHBondContact O-N 3.25Å; Y328-W376 HydrophobicContact CD1-CD2 4.32Å; Y328-W376 AromaticContact CD1-CE3 3.34Å; Y328-W376 HydrophobicContact CD1-CE3 3.34Å; Y328-W376 AromaticContact CD1-CZ3 3.7Å; Y328-W376 HydrophobicContact CD1-CZ3 3.7Å; Y328-W376 HydrophobicContact CE1-CE3 4.09Å; Y328-W376 HydrophobicContact CG-CE3 4.05Å; Y328-W376 HydrophobicContact CG-CZ3 4.18Å; Y328-D378 WeakPolarHBondContact OH-CA 3.28Å; Y328-D378 PolarHBondContact OH-OD1 3.48Å; Y328-P381 VanDerWaalsContact CA-O 3.25Å; Y328-P381 WeakPolarHBondContact CA-O 2.98Å; Y328-P381 VanDerWaalsContact CD1-CA 3.43Å; Y328-P381 HydrophobicContact CD1-CB 3.97Å; Y328-P381 WeakPolarHBondContact CD1-O 3.19Å; Y328-P381 HydrophobicContact CE1-CB 4.09Å
329	H	69	Low	57.8	Low	122 Å²	122	92.2 Å²	92.2	57%	0.565	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	104.6	175.3	-72.9	-53.7	0	0	0	109.6	G331	H329-G331 VanDerWaalsContact C-N 3.27Å; H329-G331 PolarHBondContact O-N 2.89Å
330	T	67.9	Low	55.9	Low	25 Å²	25	95.8 Å²	95.8	15%	0.153	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	5.8	179.4	59.4	0	0	0	0	113.3	G308 L310 Y328 I348 W376	G308-T330 WeakPolarHBondContact CA-OG1 3.11Å; G308-T330 PolarHBondContact O-OG1 3.11Å; L310-T330 HydrophobicContact CB-CG2 3.44Å; L310-T330 VanDerWaalsContact CB-CG2 3.44Å; L310-T330 HydrophobicContact CD2-CG2 4.43Å; Y328-T330 PolarHBondContact O-N 3.25Å; T330-I348 HydrophobicContact CG2-CD1 3.79Å; T330-W376 HydrophobicContact CG2-CZ2 4.4Å
331	G	59.3	Low	54.3	Low	40 Å²	40	94.5 Å²	94.5	41%	0.412	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105.3	165.3	-179.4	0	0	0	0	0	114.3	H329	H329-G331 VanDerWaalsContact C-N 3.27Å; H329-G331 PolarHBondContact O-N 2.89Å
332	Y	44.9	Very low	53.1	Low	175 Å²	175	90.3 Å²	90.3	69%	0.686	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.7	172.7	-68.8	-96.6	0	0	0	109.5	K307 T334	K307-Y332 HydrophobicContact CD-CD1 4.22Å; K307-Y332 HydrophobicContact CD-CE1 4.19Å; K307-Y332 HydrophobicContact CG-CD1 4.29Å; Y332-T334 PolarHBondContact O-N 3.19Å; Y332-T334 VanDerWaalsContact O-N 3.12Å
333	W	48.4	Very low	52.2	Low	36 Å²	36	93.8 Å²	93.8	14%	0.136	49%	0.49	C	S	.	.			trans	-84.7	79.9	160.6	-42.8	63.3	0	0	0	105.3	V303 S306 K307 T335 N343 E347	V303-W333 HydrophobicContact CG2-CH2 4.34Å; V303-W333 HydrophobicContact CG2-CZ2 3.82Å; S306-W333 WeakPolarHBondContact O-CA 3.44Å; S306-W333 WeakPolarHBondContact O-CB 3.34Å; S306-W333 VanDerWaalsContact O-CD1 3.28Å; S306-W333 PolarHBondContact O-N 3.33Å; S306-W333 VanDerWaalsContact O-O 3.14Å; K307-W333 VanDerWaalsContact C-CD1 3.44Å; W333-T335 PolarHBondContact O-N 3.29Å; W333-N343 HydrophobicContact CE3-CB 4.45Å; W333-N343 VanDerWaalsContact CZ3-C 3.45Å; W333-N343 WeakPolarHBondContact CZ3-O 3.21Å; W333-E347 VanDerWaalsContact CH2-CA 3.43Å; W333-E347 HydrophobicContact CH2-CB 3.76Å; W333-E347 HydrophobicContact CH2-CG 4.3Å
334	T	32	Very low	51.8	Low	102 Å²	102	92.3 Å²	92.3	63%	0.626	49%	0.485	S	S	*	.			trans	-64.4	102.9	178.7	46.9	0	0	0	0	109.2	Y332 L336	Y332-T334 PolarHBondContact O-N 3.19Å; Y332-T334 VanDerWaalsContact O-N 3.12Å; T334-L336 PolarHBondContact O-N 2.83Å
335	T	30.3	Very low	51.2	Low	103 Å²	103	89.5 Å²	89.5	63%	0.632	47%	0.472	S	S	*	.			trans	-73.8	65.9	157.9	50.2	0	0	0	0	108.5	W333	W333-T335 PolarHBondContact O-N 3.29Å
336	L	25.9	Very low	51	Low	153 Å²	153	89.2 Å²	89.2	80%	0.801	47%	0.47	S	S	*	.			trans	-89.8	103	163.8	-86.5	161.4	0	0	0	106.7	T334	T334-L336 PolarHBondContact O-N 2.83Å
337	A	27.1	Very low	51	Low	85 Å²	85	90 Å²	90	70%	0.702	47%	0.474	S	S	*	.	S	Bend	trans	71.9	124.8	172.4	0	0	0	0	0	117.5
338	Q	25.8	Very low	51.3	Low	173 Å²	173	87.2 Å²	87.2	81%	0.808	46%	0.459	S	S	*	.	S	Bend	trans	78.8	139.9	160.6	-55.7	179.8	-3.1	0	0	117.6	I340	Q338-I340 PolarHBondContact O-N 2.74Å
339	R	32.6	Very low	51.7	Low	256 Å²	256	87.4 Å²	87.4	97%	0.966	46%	0.46	S	S	*	.	S	Bend	trans	-64.6	60.7	-175.2	-65.1	174.1	174	172.5	-2.9	113.3
340	I	31.1	Very low	52.6	Low	132 Å²	132	82.2 Å²	82.2	68%	0.677	44%	0.438	S	S	*	.			trans	-107	128.7	168.6	-55.1	177.9	0	0	0	105.9	Q338 T342	Q338-I340 PolarHBondContact O-N 2.74Å; I340-T342 PolarHBondContact O-N 2.67Å
341	P	35.4	Very low	53.6	Low	106 Å²	106	82 Å²	82	69%	0.688	44%	0.435	S	S	*	.			trans	-51.4	137.8	176	-18.4	29.6	0	0	0	108.5
342	T	44.1	Very low	55	Low	59 Å²	59	82.5 Å²	82.5	36%	0.362	43%	0.427	S	S	.	.			trans	-15.3	138.6	163.4	47.9	0	0	0	0	112.7	I340 T344	I340-T342 PolarHBondContact O-N 2.67Å; T342-T344 WeakPolarHBondContact O-CG2 3.28Å; T342-T344 PolarHBondContact O-N 3.11Å; T342-T344 WeakPolarHBondContact OG1-CG2 3.4Å
343	N	53.7	Low	56.9	Low	80 Å²	80	74.6 Å²	74.6	43%	0.428	40%	0.397	S	S	.	.			trans	-61.5	68.6	173.1	-173.4	1.1	0	0	0	111.3	W333 N345 L346	W333-N343 HydrophobicContact CE3-CB 4.45Å; W333-N343 VanDerWaalsContact CZ3-C 3.45Å; W333-N343 WeakPolarHBondContact CZ3-O 3.21Å; N343-N345 PolarHBondContact O-N 3.14Å; N343-N345 WeakPolarHBondContact OD1-CB 3.04Å; N343-L346 PolarHBondContact O-N 3.04Å
344	T	64.5	Low	58.4	Low	51 Å²	51	73.3 Å²	73.3	31%	0.313	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-57.2	-15.8	-173	46	0	0	0	0	111.1	T342 L346 E347 R369	T342-T344 WeakPolarHBondContact O-CG2 3.28Å; T342-T344 PolarHBondContact O-N 3.11Å; T342-T344 WeakPolarHBondContact OG1-CG2 3.4Å; T344-L346 VanDerWaalsContact C-N 3.3Å; T344-L346 PolarHBondContact O-N 3.37Å; T344-E347 WeakPolarHBondContact O-CB 3.23Å; T344-E347 PolarHBondContact O-N 3.47Å; T344-R369 VanDerWaalsContact O-CB 3.24Å; T344-R369 WeakPolarHBondContact O-CB 3.42Å; T344-R369 WeakPolarHBondContact O-CD 3.42Å
345	N	68.7	Low	60.2	Low	21 Å²	21	69.1 Å²	69.1	11%	0.112	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-64.4	-34.5	176.7	-52.5	-15.6	0	0	0	111.2	N343 E347 R369 C370 V396 S398	N343-N345 PolarHBondContact O-N 3.14Å; N343-N345 WeakPolarHBondContact OD1-CB 3.04Å; N345-E347 VanDerWaalsContact C-N 3.31Å; N345-R369 CarbonylContact O-C 3.4Å; N345-R369 PolarHBondContact O-N 3.02Å; N345-C370 HydrophobicContact CB-CB 4.08Å; N345-C370 VanDerWaalsContact O-CB 3.27Å; N345-C370 WeakPolarHBondContact O-CB 3.2Å; N345-C370 PolarHBondContact O-N 2.75Å; N345-C370 PolarHBondContact O-SG 3.12Å; N345-C370 VanDerWaalsContact O-SG 3.37Å; N345-V396 HydrophobicContact CB-CG1 4.26Å; N345-S398 WeakPolarHBondContact ND2-CA 3.45Å; N345-S398 PolarHBondContact ND2-N 2.89Å; N345-S398 VanDerWaalsContact OD1-CA 3.27Å; N345-S398 WeakPolarHBondContact OD1-CA 3.27Å
346	L	73.7	Confident	61.9	Low	62 Å²	62	66.6 Å²	66.6	33%	0.325	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-88.7	5	177.4	-65	178.9	0	0	0	113.6	N343 T344 I348 R368	N343-L346 PolarHBondContact O-N 3.04Å; T344-L346 VanDerWaalsContact C-N 3.3Å; T344-L346 PolarHBondContact O-N 3.37Å; L346-I348 PolarHBondContact O-N 2.66Å; L346-R368 PolarHBondContact O-NH1 3.12Å
347	E	79.7	Confident	63.5	Low	45 Å²	45	65.7 Å²	65.7	21%	0.21	36%	0.36	C	S	.	.	S	Bend	trans	-59.4	132.3	175.2	-167.5	-177.2	155.1	0	0	110.8	T270 W333 T344 N345 S349 R368 R369	T270-E347 WeakPolarHBondContact CB-OE1 3.48Å; T270-E347 HydrophobicContact CG2-CG 3.64Å; T270-E347 WeakPolarHBondContact CG2-OE1 3.45Å; W333-E347 VanDerWaalsContact CH2-CA 3.43Å; W333-E347 HydrophobicContact CH2-CB 3.76Å; W333-E347 HydrophobicContact CH2-CG 4.3Å; T344-E347 WeakPolarHBondContact O-CB 3.23Å; T344-E347 PolarHBondContact O-N 3.47Å; N345-E347 VanDerWaalsContact C-N 3.31Å; E347-S349 PolarHBondContact O-N 3.14Å; E347-S349 VanDerWaalsContact O-N 3.12Å; E347-R368 CarbonylContact O-C 3.59Å; E347-R368 WeakPolarHBondContact O-CA 3.37Å; E347-R369 HydrophobicContact CB-CB 4.3Å; E347-R369 PolarHBondContact O-N 3.27Å
348	I	86.3	Confident	65	Low	6 Å²	6	64 Å²	64	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	110	168.4	-63.6	177.2	0	0	0	107.3	T270 A271 A301 L310 T330 L346 L351 V366	T270-I348 CarbonylContact C-O 3.42Å; T270-I348 WeakPolarHBondContact CB-O 3.4Å; T270-I348 PolarHBondContact OG1-O 2.94Å; A271-I348 HydrophobicContact CB-CG2 3.96Å; A301-I348 HydrophobicContact CB-CB 3.68Å; A301-I348 HydrophobicContact CB-CD1 3.68Å; A301-I348 HydrophobicContact CB-CG1 4.24Å; A301-I348 HydrophobicContact CB-CG2 3.58Å; L310-I348 HydrophobicContact CB-CD1 3.91Å; L310-I348 HydrophobicContact CD1-CD1 4.49Å; L310-I348 HydrophobicContact CD2-CD1 4.33Å; L310-I348 HydrophobicContact CG-CD1 4.49Å; T330-I348 HydrophobicContact CG2-CD1 3.79Å; L346-I348 PolarHBondContact O-N 2.66Å; I348-L351 HydrophobicContact CG2-CD2 3.63Å; I348-L351 HydrophobicContact CG2-CG 3.92Å; I348-V366 HydrophobicContact CB-CG1 4.35Å; I348-V366 HydrophobicContact CD1-CG1 3.75Å; I348-V366 HydrophobicContact CG1-CG1 3.67Å; I348-V366 HydrophobicContact CG2-CG1 3.88Å
349	S	84.7	Confident	66.8	Low	3 Å²	3	57 Å²	57	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-29.7	-179.3	43.5	0	0	0	0	112.4	R212 E347 G367 R368 R369	R212-S349 PolarHBondContact NH1-O 2.95Å; R212-S349 PolarHBondContact NH2-O 3.5Å; E347-S349 PolarHBondContact O-N 3.14Å; E347-S349 VanDerWaalsContact O-N 3.12Å; S349-G367 PolarHBondContact N-O 3.48Å; S349-G367 PolarHBondContact OG-O 3.32Å; S349-G367 VanDerWaalsContact OG-O 3.1Å; S349-R368 PolarHBondContact OG-O 2.95Å; S349-R369 PolarHBondContact OG-N 3.07Å
350	S	88.1	Confident	68.4	Low	14 Å²	14	46 Å²	46	10%	0.098	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.8	-174.2	52.6	0	0	0	0	111.1	G367 P407	S350-G367 PolarHBondContact N-O 3.45Å; S350-G367 PolarHBondContact O-N 2.87Å; S350-G367 VanDerWaalsContact OG-CA 3.3Å; S350-G367 WeakPolarHBondContact OG-CA 3.28Å; S350-P407 VanDerWaalsContact OG-CD 3.26Å; S350-P407 WeakPolarHBondContact OG-CD 3.3Å
351	L	90	Very high	70.6	Confident	19 Å²	19	42.9 Å²	42.9	10%	0.099	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.1	178	-69.5	179.4	0	0	0	108.1	A271 C273 A301 L310 I348 L364 I365 V366	A271-L351 HydrophobicContact CB-CB 4.37Å; A271-L351 HydrophobicContact CB-CD1 3.85Å; A271-L351 HydrophobicContact CB-CG 3.67Å; C273-L351 HydrophobicContact CB-CB 3.95Å; C273-L351 WeakPolarHBondContact CB-O 3.41Å; A301-L351 HydrophobicContact CB-CD1 3.98Å; L310-L351 HydrophobicContact CD1-CD1 4.08Å; L310-L351 HydrophobicContact CD1-CD2 3.99Å; I348-L351 HydrophobicContact CG2-CD2 3.63Å; I348-L351 HydrophobicContact CG2-CG 3.92Å; L351-L364 HydrophobicContact CB-CD1 4.23Å; L351-L364 HydrophobicContact CD2-CD1 4.2Å; L351-L364 HydrophobicContact CD2-CD2 4.08Å; L351-L364 HydrophobicContact CD2-CG 4.29Å; L351-I365 WeakPolarHBondContact CA-O 3.39Å; L351-V366 HydrophobicContact CD2-CB 4.28Å; L351-V366 HydrophobicContact CD2-CG1 4.31Å; L351-V366 HydrophobicContact CD2-CG2 3.69Å
352	Q	88.4	Confident	72.5	Confident	51 Å²	51	39.4 Å²	39.4	24%	0.238	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	110.3	174	-173.2	179.3	10.2	0	0	109.1	I365 I409	Q352-I365 HydrophobicContact CB-CB 4.35Å; Q352-I365 PolarHBondContact N-O 2.96Å; Q352-I365 PolarHBondContact O-N 2.8Å; Q352-I409 HydrophobicContact CG-CD1 4.41Å; Q352-I409 VanDerWaalsContact OE1-N 3.08Å
353	C	84.9	Confident	74.4	Confident	10 Å²	10	36.7 Å²	36.7	7%	0.068	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.9	170.3	-174.9	0	0	0	0	108.9	E274 Y299 L364	E274-C353 WeakPolarHBondContact O-CB 3.44Å; Y299-C353 HydrophobicContact CD2-CB 4.18Å; Y299-C353 HydrophobicContact CE2-CB 4.15Å; C353-L364 HydrophobicContact CB-CD1 4.5Å
354	F	79	Confident	76	Confident	8 Å²	8	32.9 Å²	32.9	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.9	168.8	65.6	-82.4	0	0	0	110.6	L362 G363 I365 L375 I409 L432	F354-L362 HydrophobicContact CD2-CB 3.72Å; F354-L362 HydrophobicContact CD2-CD1 4.49Å; F354-L362 HydrophobicContact CE2-CB 3.55Å; F354-L362 HydrophobicContact CZ-CB 4.47Å; F354-L362 PolarHBondContact O-N 2.9Å; F354-G363 WeakPolarHBondContact CD1-O 3.4Å; F354-G363 VanDerWaalsContact CE1-C 3.43Å; F354-G363 PolarHBondContact N-O 2.84Å; F354-G363 VanDerWaalsContact N-O 3.1Å; F354-G363 PolarHBondContact O-N 2.91Å; F354-I365 HydrophobicContact CD1-CG1 4.25Å; F354-I365 HydrophobicContact CE1-CD1 4.3Å; F354-I365 HydrophobicContact CE1-CG1 4.06Å; F354-L375 HydrophobicContact CE1-CD1 3.42Å; F354-L375 VanDerWaalsContact CE1-CD1 3.42Å; F354-L375 HydrophobicContact CZ-CD1 3.53Å; F354-I409 HydrophobicContact CB-CD1 4.1Å; F354-I409 HydrophobicContact CD1-CD1 3.5Å; F354-I409 HydrophobicContact CE1-CD1 4.17Å; F354-I409 HydrophobicContact CG-CD1 3.98Å; F354-L432 HydrophobicContact CD2-CD2 4.27Å; F354-L432 HydrophobicContact CE1-CD2 4.43Å; F354-L432 HydrophobicContact CE2-CD2 3.88Å; F354-L432 HydrophobicContact CZ-CD2 3.96Å
355	G	71.2	Confident	77.3	Confident	14 Å²	14	30.5 Å²	30.5	14%	0.144	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	170.6	-164.9	0	0	0	0	0	113	D360 Q414	G355-D360 CarbonylContact C-O 3.42Å; G355-D360 WeakPolarHBondContact CA-O 3.41Å; G355-Q414 PolarHBondContact O-NE2 3.03Å; G355-Q414 PolarHBondContact O-OE1 2.85Å
356	T	65.4	Low	78.3	Confident	51 Å²	51	29.5 Å²	29.5	31%	0.313	18%	0.177	S	C	.	.			trans	-74.4	162.9	175.1	62.2	0	0	0	0	111.1	S358 G359 D360 L362	T356-S358 PolarHBondContact O-N 3.31Å; T356-S358 PolarHBondContact OG1-OG 3.49Å; T356-G359 WeakPolarHBondContact O-CA 3.44Å; T356-G359 PolarHBondContact O-N 3.19Å; T356-D360 HydrophobicContact CG2-CB 4.17Å; T356-D360 PolarHBondContact N-O 3.12Å; T356-D360 WeakPolarHBondContact OG1-CA 3.4Å; T356-D360 WeakPolarHBondContact OG1-CB 3.37Å; T356-D360 PolarHBondContact OG1-N 3.01Å; T356-D360 PolarHBondContact OG1-OD2 3.24Å; T356-L362 HydrophobicContact CG2-CD1 4.07Å; T356-L362 HydrophobicContact CG2-CD2 4.11Å; T356-L362 HydrophobicContact CG2-CG 4.19Å
357	S	59.2	Low	79.1	Confident	133 Å²	133	26.6 Å²	26.6	93%	0.93	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.3	172.6	55.5	0	0	0	0	113.4	G359	S357-G359 PolarHBondContact O-N 3.08Å
358	S	58.2	Low	79.3	Confident	51 Å²	51	25.3 Å²	25.3	36%	0.357	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.3	170.1	41.4	0	0	0	0	113.4	R294 T356 D360	R294-S358 VanDerWaalsContact CZ-O 3.31Å; R294-S358 PolarHBondContact NH1-O 3.39Å; R294-S358 PolarHBondContact NH2-O 2.97Å; T356-S358 PolarHBondContact O-N 3.31Å; T356-S358 PolarHBondContact OG1-OG 3.49Å; S358-D360 PolarHBondContact OG-OD2 3.21Å
359	G	63	Low	79	Confident	25 Å²	25	27.1 Å²	27.1	26%	0.258	16%	0.161	S	C	.	.			trans	89.6	17.1	179.8	0	0	0	0	0	113.8	R294 T356 S357	R294-G359 PolarHBondContact NH1-O 3.19Å; T356-G359 WeakPolarHBondContact O-CA 3.44Å; T356-G359 PolarHBondContact O-N 3.19Å; S357-G359 PolarHBondContact O-N 3.08Å
360	D	68	Low	78.6	Confident	24 Å²	24	27.2 Å²	27.2	13%	0.128	16%	0.162	C	C	.	.			trans	-75.8	134.3	175.2	-49.3	-48.9	0	0	0	108.8	H25 R294 G355 T356 S358	H25-D360 HydrophobicContact CB-CB 4.12Å; H25-D360 IonicContact CE1-OD1 2.78Å; H25-D360 IonicContact CG-OD1 3.65Å; H25-D360 IonicContact ND1-OD1 3.29Å; H25-D360 PolarHBondContact ND1-OD1 3.3Å; R294-D360 IonicContact CZ-OD1 3.26Å; R294-D360 VanDerWaalsContact CZ-OD1 3.26Å; R294-D360 VanDerWaalsContact NH1-N 3.19Å; R294-D360 IonicContact NH1-OD1 3.64Å; R294-D360 PolarHBondContact NH1-OD1 3.15Å; R294-D360 IonicContact NH2-OD1 2.77Å; R294-D360 PolarHBondContact NH2-OD1 3.07Å; G355-D360 CarbonylContact C-O 3.42Å; G355-D360 WeakPolarHBondContact CA-O 3.41Å; T356-D360 HydrophobicContact CG2-CB 4.17Å; T356-D360 PolarHBondContact N-O 3.12Å; T356-D360 WeakPolarHBondContact OG1-CA 3.4Å; T356-D360 WeakPolarHBondContact OG1-CB 3.37Å; T356-D360 PolarHBondContact OG1-N 3.01Å; T356-D360 PolarHBondContact OG1-OD2 3.24Å; S358-D360 PolarHBondContact OG-OD2 3.21Å
361	R	77	Confident	78.3	Confident	67 Å²	67	26.6 Å²	26.6	25%	0.253	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.7	178.2	-61.1	-168.6	-60.6	-109.6	-5.6	109.5	A275 Y299 D378	A275-R361 WeakPolarHBondContact O-CD 3.42Å; A275-R361 VanDerWaalsContact O-CG 3.26Å; A275-R361 WeakPolarHBondContact O-CG 3.45Å; Y299-R361 WeakPolarHBondContact OH-CD 3.5Å; Y299-R361 PolarHBondContact OH-NE 3.35Å; R361-D378 IonicContact CZ-OD2 3.42Å; R361-D378 VanDerWaalsContact CZ-OD2 3.25Å; R361-D378 IonicContact NE-OD2 2.68Å; R361-D378 PolarHBondContact NE-OD2 3.46Å; R361-D378 IonicContact NH2-OD2 3.4Å; R361-D378 PolarHBondContact NH2-OD2 2.99Å
362	L	75.2	Confident	78	Confident	33 Å²	33	27.1 Å²	27.1	17%	0.173	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-26.4	177.8	-64	-175.4	0	0	0	112.2	P28 F354 T356	P28-L362 HydrophobicContact CG-CD2 3.58Å; F354-L362 HydrophobicContact CD2-CB 3.72Å; F354-L362 HydrophobicContact CD2-CD1 4.49Å; F354-L362 HydrophobicContact CE2-CB 3.55Å; F354-L362 HydrophobicContact CZ-CB 4.47Å; F354-L362 PolarHBondContact O-N 2.9Å; T356-L362 HydrophobicContact CG2-CD1 4.07Å; T356-L362 HydrophobicContact CG2-CD2 4.11Å; T356-L362 HydrophobicContact CG2-CG 4.19Å
363	G	82.7	Confident	78	Confident	2 Å²	2	24.8 Å²	24.8	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.2	178.1	176.8	0	0	0	0	0	112.7	F354 W376	F354-G363 WeakPolarHBondContact CD1-O 3.4Å; F354-G363 VanDerWaalsContact CE1-C 3.43Å; F354-G363 PolarHBondContact N-O 2.84Å; F354-G363 VanDerWaalsContact N-O 3.1Å; F354-G363 PolarHBondContact O-N 2.91Å; G363-W376 CarbonylContact C-O 3.54Å; G363-W376 WeakPolarHBondContact CA-O 3.23Å
364	L	89.1	Confident	78.2	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.3	-179.6	176.1	69.7	0	0	0	109.3	Y299 L310 L351 C353 V366 W376	Y299-L364 HydrophobicContact CD1-CD2 3.63Å; Y299-L364 HydrophobicContact CD2-CD1 3.72Å; Y299-L364 HydrophobicContact CD2-CD2 4.29Å; Y299-L364 HydrophobicContact CD2-CG 4.44Å; Y299-L364 HydrophobicContact CE1-CD2 4.02Å; Y299-L364 HydrophobicContact CE2-CB 4.37Å; Y299-L364 HydrophobicContact CE2-CD1 4.2Å; Y299-L364 HydrophobicContact CG-CD1 3.92Å; Y299-L364 HydrophobicContact CG-CD2 3.77Å; Y299-L364 HydrophobicContact CG-CG 4.38Å; L310-L364 HydrophobicContact CD1-CD2 3.85Å; L310-L364 HydrophobicContact CD2-CD2 3.92Å; L310-L364 HydrophobicContact CG-CD2 4.33Å; L351-L364 HydrophobicContact CB-CD1 4.23Å; L351-L364 HydrophobicContact CD2-CD1 4.2Å; L351-L364 HydrophobicContact CD2-CD2 4.08Å; L351-L364 HydrophobicContact CD2-CG 4.29Å; C353-L364 HydrophobicContact CB-CD1 4.5Å; L364-V366 HydrophobicContact CD2-CG2 3.88Å; L364-V366 HydrophobicContact CG-CG2 3.94Å; L364-W376 HydrophobicContact CB-CB 4.25Å; L364-W376 PolarHBondContact N-O 3.18Å; L364-W376 PolarHBondContact O-N 3.37Å
365	I	91.1	Very high	78.7	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.3	167.4	-66.9	-53.6	0	0	0	109.2	L351 Q352 F354 I373 E374 L375 Y388 P407 I409 I417 L432	L351-I365 WeakPolarHBondContact CA-O 3.39Å; Q352-I365 HydrophobicContact CB-CB 4.35Å; Q352-I365 PolarHBondContact N-O 2.96Å; Q352-I365 PolarHBondContact O-N 2.8Å; F354-I365 HydrophobicContact CD1-CG1 4.25Å; F354-I365 HydrophobicContact CE1-CD1 4.3Å; F354-I365 HydrophobicContact CE1-CG1 4.06Å; I365-I373 HydrophobicContact CG2-CG2 3.87Å; I365-E374 WeakPolarHBondContact CA-O 3.21Å; I365-L375 HydrophobicContact CD1-CB 3.97Å; I365-L375 HydrophobicContact CD1-CD1 3.68Å; I365-L375 HydrophobicContact CD1-CG 4.4Å; I365-Y388 HydrophobicContact CD1-CE2 3.95Å; I365-P407 HydrophobicContact CG2-CB 4.21Å; I365-P407 HydrophobicContact CG2-CG 3.81Å; I365-I409 HydrophobicContact CB-CD1 4.06Å; I365-I409 HydrophobicContact CD1-CD1 4.4Å; I365-I409 HydrophobicContact CG1-CD1 3.23Å; I365-I409 HydrophobicContact CG1-CG1 3.86Å; I365-I417 HydrophobicContact CB-CD1 4.41Å; I365-I417 HydrophobicContact CD1-CD1 3.81Å; I365-I417 HydrophobicContact CG1-CD1 3.93Å; I365-I417 HydrophobicContact CG2-CD1 3.59Å; I365-L432 HydrophobicContact CD1-CD1 3.83Å; I365-L432 HydrophobicContact CG1-CD1 4.17Å
366	V	90.1	Very high	79.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.9	179	176.5	0	0	0	0	107.3	L310 I348 L351 L364 I373 E374 W376	L310-V366 HydrophobicContact CD2-CG2 3.86Å; I348-V366 HydrophobicContact CB-CG1 4.35Å; I348-V366 HydrophobicContact CD1-CG1 3.75Å; I348-V366 HydrophobicContact CG1-CG1 3.67Å; I348-V366 HydrophobicContact CG2-CG1 3.88Å; L351-V366 HydrophobicContact CD2-CB 4.28Å; L351-V366 HydrophobicContact CD2-CG1 4.31Å; L351-V366 HydrophobicContact CD2-CG2 3.69Å; L364-V366 HydrophobicContact CD2-CG2 3.88Å; L364-V366 HydrophobicContact CG-CG2 3.94Å; V366-I373 WeakPolarHBondContact O-CA 3.36Å; V366-E374 HydrophobicContact CB-CB 4.19Å; V366-E374 PolarHBondContact N-O 2.79Å; V366-E374 PolarHBondContact O-N 3.3Å; V366-W376 HydrophobicContact CG2-CB 4.48Å; V366-W376 HydrophobicContact CG2-CG 3.97Å
367	G	89	Confident	80.3	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.6	170.4	0	0	0	0	0	110.4	S349 S350	S349-G367 PolarHBondContact N-O 3.48Å; S349-G367 PolarHBondContact OG-O 3.32Å; S349-G367 VanDerWaalsContact OG-O 3.1Å; S350-G367 PolarHBondContact N-O 3.45Å; S350-G367 PolarHBondContact O-N 2.87Å; S350-G367 VanDerWaalsContact OG-CA 3.3Å; S350-G367 WeakPolarHBondContact OG-CA 3.28Å
368	R	84.7	Confident	81.2	Confident	17 Å²	17	17.5 Å²	17.5	6%	0.064	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	156.9	176	-60.2	-167.5	-177.1	-101.8	0.5	111.6	L346 E347 S349 C370 G371 L372 E374	L346-R368 PolarHBondContact O-NH1 3.12Å; E347-R368 CarbonylContact O-C 3.59Å; E347-R368 WeakPolarHBondContact O-CA 3.37Å; S349-R368 PolarHBondContact OG-O 2.95Å; R368-C370 PolarHBondContact O-N 2.79Å; R368-G371 PolarHBondContact O-N 2.75Å; R368-L372 HydrophobicContact CB-CB 4.24Å; R368-L372 WeakPolarHBondContact CB-O 3.23Å; R368-L372 HydrophobicContact CG-CB 4.42Å; R368-L372 PolarHBondContact N-O 2.84Å; R368-E374 IonicContact CZ-OE1 2.61Å; R368-E374 IonicContact CZ-OE2 2.91Å; R368-E374 IonicContact NE-OE1 3.62Å; R368-E374 PolarHBondContact NE-OE1 2.91Å; R368-E374 IonicContact NE-OE2 3.21Å; R368-E374 VanDerWaalsContact NH2-CD 3.29Å; R368-E374 IonicContact NH2-OE1 3.75Å; R368-E374 PolarHBondContact NH2-OE1 2.73Å; R368-E374 IonicContact NH2-OE2 2.85Å; R368-E374 PolarHBondContact NH2-OE2 3.32Å
369	R	80.3	Confident	81.8	Confident	45 Å²	45	18.4 Å²	18.4	17%	0.17	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-33.3	178.5	-171.2	177.9	-166	88.2	15.4	112.7	T344 N345 E347 S349 G371 V399 S401 H402 P404 P405	T344-R369 VanDerWaalsContact O-CB 3.24Å; T344-R369 WeakPolarHBondContact O-CB 3.42Å; T344-R369 WeakPolarHBondContact O-CD 3.42Å; N345-R369 CarbonylContact O-C 3.4Å; N345-R369 PolarHBondContact O-N 3.02Å; E347-R369 HydrophobicContact CB-CB 4.3Å; E347-R369 PolarHBondContact O-N 3.27Å; S349-R369 PolarHBondContact OG-N 3.07Å; R369-G371 PolarHBondContact O-N 3.42Å; R369-V399 WeakPolarHBondContact O-CG2 3.44Å; R369-S401 PolarHBondContact NH2-O 3.18Å; R369-H402 PolarHBondContact NH2-O 2.83Å; R369-P404 HydrophobicContact CG-CB 4.33Å; R369-P405 WeakPolarHBondContact O-CD 3.34Å
370	C	76.1	Confident	82.2	Confident	4 Å²	4	20.4 Å²	20.4	3%	0.027	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.9	176.3	61.9	0	0	0	0	114.4	N345 R368 L372	N345-C370 HydrophobicContact CB-CB 4.08Å; N345-C370 VanDerWaalsContact O-CB 3.27Å; N345-C370 WeakPolarHBondContact O-CB 3.2Å; N345-C370 PolarHBondContact O-N 2.75Å; N345-C370 PolarHBondContact O-SG 3.12Å; N345-C370 VanDerWaalsContact O-SG 3.37Å; R368-C370 PolarHBondContact O-N 2.79Å; C370-L372 VanDerWaalsContact SG-CB 3.59Å
371	G	81	Confident	82.4	Confident	2 Å²	2	20.6 Å²	20.6	2%	0.021	9%	0.094	C	C	.	.	S	Bend	trans	95	-9.6	-173.3	0	0	0	0	0	114.5	R368 R369 I373 S391	R368-G371 PolarHBondContact O-N 2.75Å; R369-G371 PolarHBondContact O-N 3.42Å; G371-I373 PolarHBondContact O-N 3.1Å; G371-S391 CarbonylContact C-O 3.57Å; G371-S391 CarbonylContact O-C 3.58Å; G371-S391 WeakPolarHBondContact O-CB 3.44Å; G371-S391 VanDerWaalsContact O-O 3.06Å; G371-S391 PolarHBondContact O-OG 3.38Å
372	L	84.5	Confident	82.2	Confident	30 Å²	30	22.7 Å²	22.7	16%	0.157	11%	0.111	C	C	.	.			trans	-61.5	131.7	174.9	-179.7	64.2	0	0	0	110.4	R368 C370 E374 S391 D392	R368-L372 HydrophobicContact CB-CB 4.24Å; R368-L372 WeakPolarHBondContact CB-O 3.23Å; R368-L372 HydrophobicContact CG-CB 4.42Å; R368-L372 PolarHBondContact N-O 2.84Å; C370-L372 VanDerWaalsContact SG-CB 3.59Å; L372-E374 HydrophobicContact CD2-CG 4.35Å; L372-E374 WeakPolarHBondContact CD2-OE1 2.97Å; L372-E374 HydrophobicContact CG-CG 4.29Å; L372-S391 WeakPolarHBondContact CA-OG 3.24Å; L372-D392 HydrophobicContact CB-CB 4.23Å
373	I	89.3	Confident	82.4	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.1	175.7	-47.5	159.8	0	0	0	109.2	I365 V366 G371 Y388 S391 P407 I417 W430	I365-I373 HydrophobicContact CG2-CG2 3.87Å; V366-I373 WeakPolarHBondContact O-CA 3.36Å; G371-I373 PolarHBondContact O-N 3.1Å; I373-Y388 HydrophobicContact CB-CD2 3.75Å; I373-Y388 HydrophobicContact CB-CG 4.31Å; I373-Y388 HydrophobicContact CG2-CD2 3.57Å; I373-Y388 HydrophobicContact CG2-CE2 3.96Å; I373-Y388 HydrophobicContact CG2-CG 4.43Å; I373-Y388 WeakPolarHBondContact O-CD2 3.43Å; I373-Y388 PolarHBondContact O-N 3.36Å; I373-S391 PolarHBondContact N-OG 2.9Å; I373-P407 HydrophobicContact CD1-CB 3.98Å; I373-P407 HydrophobicContact CG1-CB 4.03Å; I373-P407 HydrophobicContact CG1-CG 4.3Å; I373-P407 HydrophobicContact CG2-CB 4.07Å; I373-P407 HydrophobicContact CG2-CG 4.12Å; I373-I417 HydrophobicContact CG2-CD1 3.5Å; I373-I417 VanDerWaalsContact CG2-CD1 3.5Å; I373-W430 HydrophobicContact CD1-CE3 4.23Å; I373-W430 HydrophobicContact CD1-CH2 4.07Å; I373-W430 HydrophobicContact CD1-CZ3 3.73Å
374	E	88.7	Confident	82.5	Confident	6 Å²	6	28.6 Å²	28.6	3%	0.028	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.9	-179.6	-67	167.6	-175.4	0	0	110.3	I365 V366 R368 L372 W376 P384 I386 E387	I365-E374 WeakPolarHBondContact CA-O 3.21Å; V366-E374 HydrophobicContact CB-CB 4.19Å; V366-E374 PolarHBondContact N-O 2.79Å; V366-E374 PolarHBondContact O-N 3.3Å; R368-E374 IonicContact CZ-OE1 2.61Å; R368-E374 IonicContact CZ-OE2 2.91Å; R368-E374 IonicContact NE-OE1 3.62Å; R368-E374 PolarHBondContact NE-OE1 2.91Å; R368-E374 IonicContact NE-OE2 3.21Å; R368-E374 VanDerWaalsContact NH2-CD 3.29Å; R368-E374 IonicContact NH2-OE1 3.75Å; R368-E374 PolarHBondContact NH2-OE1 2.73Å; R368-E374 IonicContact NH2-OE2 2.85Å; R368-E374 PolarHBondContact NH2-OE2 3.32Å; L372-E374 HydrophobicContact CD2-CG 4.35Å; L372-E374 WeakPolarHBondContact CD2-OE1 2.97Å; L372-E374 HydrophobicContact CG-CG 4.29Å; E374-W376 PolarHBondContact OE2-NE1 2.78Å; E374-P384 HydrophobicContact CB-CB 3.98Å; E374-P384 HydrophobicContact CG-CB 4.2Å; E374-P384 HydrophobicContact CG-CG 4.32Å; E374-I386 CarbonylContact C-O 3.51Å; E374-I386 WeakPolarHBondContact CA-O 3.5Å; E374-E387 HydrophobicContact CG-CG 4.44Å
375	L	89.9	Confident	82.2	Confident	10 Å²	10	29.5 Å²	29.5	5%	0.052	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.3	166.2	175.7	62.4	0	0	0	109.6	F354 I365 P384 V385 I386 Y388	F354-L375 HydrophobicContact CE1-CD1 3.42Å; F354-L375 VanDerWaalsContact CE1-CD1 3.42Å; F354-L375 HydrophobicContact CZ-CD1 3.53Å; I365-L375 HydrophobicContact CD1-CB 3.97Å; I365-L375 HydrophobicContact CD1-CD1 3.68Å; I365-L375 HydrophobicContact CD1-CG 4.4Å; L375-P384 CarbonylContact O-C 3.55Å; L375-P384 WeakPolarHBondContact O-CA 3.19Å; L375-V385 PolarHBondContact O-N 3.41Å; L375-I386 HydrophobicContact CB-CB 4Å; L375-I386 HydrophobicContact CD2-CB 4.46Å; L375-I386 HydrophobicContact CD2-CD1 3.77Å; L375-I386 HydrophobicContact CD2-CG1 4.1Å; L375-I386 PolarHBondContact N-O 3Å; L375-I386 PolarHBondContact O-N 3.46Å; L375-Y388 HydrophobicContact CB-CE2 4.03Å
376	W	87.1	Confident	81.9	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	150.4	175.6	-70	75.2	0	0	0	111.2	L310 Y328 T330 G363 L364 V366 E374 P384	L310-W376 HydrophobicContact CD2-CD2 4.08Å; L310-W376 HydrophobicContact CD2-CG 4.19Å; Y328-W376 HydrophobicContact CD1-CD2 4.32Å; Y328-W376 AromaticContact CD1-CE3 3.34Å; Y328-W376 HydrophobicContact CD1-CE3 3.34Å; Y328-W376 AromaticContact CD1-CZ3 3.7Å; Y328-W376 HydrophobicContact CD1-CZ3 3.7Å; Y328-W376 HydrophobicContact CE1-CE3 4.09Å; Y328-W376 HydrophobicContact CG-CE3 4.05Å; Y328-W376 HydrophobicContact CG-CZ3 4.18Å; T330-W376 HydrophobicContact CG2-CZ2 4.4Å; G363-W376 CarbonylContact C-O 3.54Å; G363-W376 WeakPolarHBondContact CA-O 3.23Å; L364-W376 HydrophobicContact CB-CB 4.25Å; L364-W376 PolarHBondContact N-O 3.18Å; L364-W376 PolarHBondContact O-N 3.37Å; V366-W376 HydrophobicContact CG2-CB 4.48Å; V366-W376 HydrophobicContact CG2-CG 3.97Å; E374-W376 PolarHBondContact OE2-NE1 2.78Å; W376-P384 HydrophobicContact CD2-CB 4.42Å
377	D	81.6	Confident	81.6	Confident	14 Å²	14	34.2 Å²	34.2	8%	0.075	16%	0.164	C	C	.	.			trans	-138.3	139.7	179.6	-173.2	-59.5	0	0	0	109.4	R379 F380 V385	D377-R379 PolarHBondContact O-N 2.91Å; D377-R379 VanDerWaalsContact OD1-CB 3.24Å; D377-R379 WeakPolarHBondContact OD1-CB 3.5Å; D377-R379 VanDerWaalsContact OD1-CG 3.29Å; D377-R379 WeakPolarHBondContact OD1-CG 3.39Å; D377-R379 IonicContact OD1-CZ 3.71Å; D377-R379 PolarHBondContact OD1-N 3.3Å; D377-R379 IonicContact OD1-NE 3.8Å; D377-R379 PolarHBondContact OD1-NE 2.61Å; D377-R379 IonicContact OD1-NH2 2.88Å; D377-R379 IonicContact OD2-CZ 2.71Å; D377-R379 IonicContact OD2-NE 3.32Å; D377-R379 PolarHBondContact OD2-NE 2.97Å; D377-R379 IonicContact OD2-NH2 2.9Å; D377-R379 PolarHBondContact OD2-NH2 3.38Å; D377-F380 HydrophobicContact CB-CD2 4.22Å; D377-F380 CarbonylContact O-C 3.56Å; D377-F380 PolarHBondContact O-N 3.31Å; D377-V385 HydrophobicContact CB-CG2 3.5Å
378	D	78.6	Confident	81.4	Confident	29 Å²	29	34.1 Å²	34.1	16%	0.155	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.4	179.2	-64.8	2.7	0	0	0	113.2	Y299 I326 Y328 R361	Y299-D378 PolarHBondContact OH-OD1 2.88Å; I326-D378 HydrophobicContact CD1-CB 3.58Å; Y328-D378 WeakPolarHBondContact OH-CA 3.28Å; Y328-D378 PolarHBondContact OH-OD1 3.48Å; R361-D378 IonicContact CZ-OD2 3.42Å; R361-D378 VanDerWaalsContact CZ-OD2 3.25Å; R361-D378 IonicContact NE-OD2 2.68Å; R361-D378 PolarHBondContact NE-OD2 3.46Å; R361-D378 IonicContact NH2-OD2 3.4Å; R361-D378 PolarHBondContact NH2-OD2 2.99Å
379	R	70.9	Confident	81.1	Confident	70 Å²	70	36.7 Å²	36.7	26%	0.264	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-22.5	178.2	-62.2	171.7	-72.8	178.5	-9.1	113.3	T27 V31 D377 P381	T27-R379 VanDerWaalsContact CG2-NH1 3.34Å; V31-R379 VanDerWaalsContact CB-NH2 3.27Å; D377-R379 PolarHBondContact O-N 2.91Å; D377-R379 VanDerWaalsContact OD1-CB 3.24Å; D377-R379 WeakPolarHBondContact OD1-CB 3.5Å; D377-R379 VanDerWaalsContact OD1-CG 3.29Å; D377-R379 WeakPolarHBondContact OD1-CG 3.39Å; D377-R379 IonicContact OD1-CZ 3.71Å; D377-R379 PolarHBondContact OD1-N 3.3Å; D377-R379 IonicContact OD1-NE 3.8Å; D377-R379 PolarHBondContact OD1-NE 2.61Å; D377-R379 IonicContact OD1-NH2 2.88Å; D377-R379 IonicContact OD2-CZ 2.71Å; D377-R379 IonicContact OD2-NE 3.32Å; D377-R379 PolarHBondContact OD2-NE 2.97Å; D377-R379 IonicContact OD2-NH2 2.9Å; D377-R379 PolarHBondContact OD2-NH2 3.38Å; R379-P381 WeakPolarHBondContact O-CD 3.49Å
380	F	70.5	Confident	80.8	Confident	67 Å²	67	35.5 Å²	35.5	29%	0.294	18%	0.176	S	C	.	.			trans	-122.3	63.8	-176.9	-58.6	-76.6	0	0	0	111.1	V31 D377 N382 K383 V385	V31-F380 HydrophobicContact CG1-CE2 4.18Å; D377-F380 HydrophobicContact CB-CD2 4.22Å; D377-F380 CarbonylContact O-C 3.56Å; D377-F380 PolarHBondContact O-N 3.31Å; F380-N382 PolarHBondContact O-N 3.33Å; F380-N382 VanDerWaalsContact O-N 3.08Å; F380-K383 PolarHBondContact O-N 3.39Å; F380-V385 HydrophobicContact CB-CG2 4.12Å; F380-V385 HydrophobicContact CD2-CG2 3.6Å; F380-V385 HydrophobicContact CE2-CG2 4.41Å; F380-V385 HydrophobicContact CG-CG2 4.18Å
381	P	72.9	Confident	81.1	Confident	28 Å²	28	35.3 Å²	35.3	18%	0.182	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.3	-170.6	27.9	-36.3	0	0	0	114.8	I326 Y328 R379	I326-P381 HydrophobicContact CG2-CB 3.67Å; Y328-P381 VanDerWaalsContact CA-O 3.25Å; Y328-P381 WeakPolarHBondContact CA-O 2.98Å; Y328-P381 VanDerWaalsContact CD1-CA 3.43Å; Y328-P381 HydrophobicContact CD1-CB 3.97Å; Y328-P381 WeakPolarHBondContact CD1-O 3.19Å; Y328-P381 HydrophobicContact CE1-CB 4.09Å; R379-P381 WeakPolarHBondContact O-CD 3.49Å
382	N	73.9	Confident	80.6	Confident	112 Å²	112	36.5 Å²	36.5	60%	0.599	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.6	-173.8	-67.1	-32.6	0	0	0	114.4	F380	F380-N382 PolarHBondContact O-N 3.33Å; F380-N382 VanDerWaalsContact O-N 3.08Å
383	K	79.1	Confident	79.7	Confident	136 Å²	136	35.2 Å²	35.2	59%	0.591	18%	0.175	S	C	*	.	S	Bend	trans	-160	156.6	-177.6	62.9	173.7	-175.6	172	0	111	F380	F380-K383 PolarHBondContact O-N 3.39Å
384	P	83.1	Confident	78.2	Confident	23 Å²	23	38 Å²	38	15%	0.149	19%	0.194	C	C	.	.			trans	-59.1	147.9	170.8	26.5	-35.2	0	0	0	111.6	E374 L375 W376 E387	E374-P384 HydrophobicContact CB-CB 3.98Å; E374-P384 HydrophobicContact CG-CB 4.2Å; E374-P384 HydrophobicContact CG-CG 4.32Å; L375-P384 CarbonylContact O-C 3.55Å; L375-P384 WeakPolarHBondContact O-CA 3.19Å; W376-P384 HydrophobicContact CD2-CB 4.42Å; P384-E387 HydrophobicContact CB-CG 4.31Å; P384-E387 HydrophobicContact CG-CG 3.69Å
385	V	83.4	Confident	76.3	Confident	20 Å²	20	40.2 Å²	40.2	12%	0.121	21%	0.208	C	C	.	.	S	Bend	trans	-74.9	-39.8	171.6	-176.3	0	0	0	0	110.1	V31 V36 L375 D377 F380	V31-V385 HydrophobicContact CG1-CG1 4.49Å; V36-V385 HydrophobicContact CG2-CG1 4.36Å; L375-V385 PolarHBondContact O-N 3.41Å; D377-V385 HydrophobicContact CB-CG2 3.5Å; F380-V385 HydrophobicContact CB-CG2 4.12Å; F380-V385 HydrophobicContact CD2-CG2 3.6Å; F380-V385 HydrophobicContact CE2-CG2 4.41Å; F380-V385 HydrophobicContact CG-CG2 4.18Å
386	I	85.1	Confident	74.3	Confident	22 Å²	22	43.8 Å²	43.8	11%	0.113	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.1	178	-53.5	178.4	0	0	0	108.6	E374 L375 Y388 H433	E374-I386 CarbonylContact C-O 3.51Å; E374-I386 WeakPolarHBondContact CA-O 3.5Å; L375-I386 HydrophobicContact CB-CB 4Å; L375-I386 HydrophobicContact CD2-CB 4.46Å; L375-I386 HydrophobicContact CD2-CD1 3.77Å; L375-I386 HydrophobicContact CD2-CG1 4.1Å; L375-I386 PolarHBondContact N-O 3Å; L375-I386 PolarHBondContact O-N 3.46Å; I386-Y388 HydrophobicContact CG2-CD1 4.38Å; I386-Y388 HydrophobicContact CG2-CE1 4.18Å; I386-Y388 HydrophobicContact CG2-CE2 4.5Å; I386-H433 VanDerWaalsContact CD1-C 3.47Å; I386-H433 WeakPolarHBondContact CD1-O 3.45Å
387	E	84.2	Confident	72.5	Confident	77 Å²	77	48.6 Å²	48.6	36%	0.36	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.5	163.8	-65.9	176.4	167.5	0	0	107.2	E374 P384 Y389	E374-E387 HydrophobicContact CG-CG 4.44Å; P384-E387 HydrophobicContact CB-CG 4.31Å; P384-E387 HydrophobicContact CG-CG 3.69Å; E387-Y389 HydrophobicContact CB-CE1 4.48Å; E387-Y389 PolarHBondContact O-N 2.99Å; E387-Y389 PolarHBondContact OE2-OH 2.84Å
388	Y	84.9	Confident	70.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.276	C	S	.	.			trans	-81.1	91.1	-179.6	-61.1	-87.8	0	0	0	108.9	I365 I373 L375 I386 G390 S391 I417 W430 D431 L432	I365-Y388 HydrophobicContact CD1-CE2 3.95Å; I373-Y388 HydrophobicContact CB-CD2 3.75Å; I373-Y388 HydrophobicContact CB-CG 4.31Å; I373-Y388 HydrophobicContact CG2-CD2 3.57Å; I373-Y388 HydrophobicContact CG2-CE2 3.96Å; I373-Y388 HydrophobicContact CG2-CG 4.43Å; I373-Y388 WeakPolarHBondContact O-CD2 3.43Å; I373-Y388 PolarHBondContact O-N 3.36Å; L375-Y388 HydrophobicContact CB-CE2 4.03Å; I386-Y388 HydrophobicContact CG2-CD1 4.38Å; I386-Y388 HydrophobicContact CG2-CE1 4.18Å; I386-Y388 HydrophobicContact CG2-CE2 4.5Å; Y388-G390 PolarHBondContact O-N 3.48Å; Y388-S391 WeakPolarHBondContact O-CB 3.22Å; Y388-S391 PolarHBondContact O-N 2.9Å; Y388-S391 PolarHBondContact O-OG 2.96Å; Y388-I417 HydrophobicContact CD1-CG2 3.87Å; Y388-I417 HydrophobicContact CE1-CG2 3.6Å; Y388-I417 HydrophobicContact CE2-CD1 4.18Å; Y388-I417 HydrophobicContact CG-CG2 4.5Å; Y388-W430 HydrophobicContact CD1-CB 3.6Å; Y388-W430 AromaticContact CD1-CG 3.87Å; Y388-W430 HydrophobicContact CD1-CG 3.87Å; Y388-W430 HydrophobicContact CE1-CB 4.16Å; Y388-W430 HydrophobicContact CG-CG 4.45Å; Y388-D431 WeakPolarHBondContact CE1-O 2.97Å; Y388-L432 WeakPolarHBondContact OH-CD1 3.24Å; Y388-L432 PolarHBondContact OH-O 2.89Å
389	Y	77.8	Confident	69.7	Low	70 Å²	70	51.1 Å²	51.1	28%	0.275	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	137.9	-175.8	-70	-66.8	0	0	0	112	K42 E387 S391 W430	K42-Y389 HydrophobicContact CB-CE2 4.21Å; K42-Y389 HydrophobicContact CG-CE2 4.42Å; E387-Y389 HydrophobicContact CB-CE1 4.48Å; E387-Y389 PolarHBondContact O-N 2.99Å; E387-Y389 PolarHBondContact OE2-OH 2.84Å; Y389-S391 VanDerWaalsContact C-N 3.3Å; Y389-S391 PolarHBondContact O-N 3.48Å; Y389-W430 PolarHBondContact O-NE1 2.86Å
390	G	74.6	Confident	68.5	Low	20 Å²	20	50.8 Å²	50.8	21%	0.206	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-5.4	-177.4	0	0	0	0	0	115.3	Y388 D392 G393 L421	Y388-G390 PolarHBondContact O-N 3.48Å; G390-D392 VanDerWaalsContact C-N 3.29Å; G390-D392 PolarHBondContact O-N 2.88Å; G390-G393 WeakPolarHBondContact O-CA 2.94Å; G390-G393 PolarHBondContact O-N 3.2Å; G390-L421 WeakPolarHBondContact O-CD2 3.47Å
391	S	81	Confident	67.8	Low	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.5	177.9	55	0	0	0	0	114.2	G371 L372 I373 Y388 Y389 G393 L421 W430	G371-S391 CarbonylContact C-O 3.57Å; G371-S391 CarbonylContact O-C 3.58Å; G371-S391 WeakPolarHBondContact O-CB 3.44Å; G371-S391 VanDerWaalsContact O-O 3.06Å; G371-S391 PolarHBondContact O-OG 3.38Å; L372-S391 WeakPolarHBondContact CA-OG 3.24Å; I373-S391 PolarHBondContact N-OG 2.9Å; Y388-S391 WeakPolarHBondContact O-CB 3.22Å; Y388-S391 PolarHBondContact O-N 2.9Å; Y388-S391 PolarHBondContact O-OG 2.96Å; Y389-S391 VanDerWaalsContact C-N 3.3Å; Y389-S391 PolarHBondContact O-N 3.48Å; S391-G393 PolarHBondContact O-N 2.94Å; S391-L421 VanDerWaalsContact O-CD2 3.28Å; S391-L421 WeakPolarHBondContact O-CD2 3.22Å; S391-W430 VanDerWaalsContact CA-CZ2 3.48Å
392	D	70.8	Confident	67.3	Low	27 Å²	27	49.3 Å²	49.3	14%	0.144	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	9	170.3	69.8	-18.2	0	0	0	113.3	L372 G390 S394 T395	L372-D392 HydrophobicContact CB-CB 4.23Å; G390-D392 VanDerWaalsContact C-N 3.29Å; G390-D392 PolarHBondContact O-N 2.88Å; D392-S394 PolarHBondContact O-N 3.36Å; D392-S394 WeakPolarHBondContact OD1-CA 3.47Å; D392-S394 PolarHBondContact OD1-N 3.18Å; D392-T395 PolarHBondContact O-N 2.78Å
393	G	65.3	Low	67.3	Low	4 Å²	4	45.8 Å²	45.8	4%	0.041	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	14.5	-176.1	0	0	0	0	0	114.1	R56 G390 S391 T395	R56-G393 PolarHBondContact NH1-O 3.39Å; G390-G393 WeakPolarHBondContact O-CA 2.94Å; G390-G393 PolarHBondContact O-N 3.2Å; S391-G393 PolarHBondContact O-N 2.94Å; G393-T395 PolarHBondContact O-N 3.49Å
394	S	58.4	Low	67.1	Low	59 Å²	59	40.4 Å²	40.4	41%	0.413	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	13.6	-172.6	67.9	0	0	0	0	115.1	D392	D392-S394 PolarHBondContact O-N 3.36Å; D392-S394 WeakPolarHBondContact OD1-CA 3.47Å; D392-S394 PolarHBondContact OD1-N 3.18Å
395	T	48.5	Very low	67	Low	53 Å²	53	39.3 Å²	39.3	33%	0.325	23%	0.227	S	C	.	.	S	Bend	trans	-134	125.3	175.8	59.1	0	0	0	0	109.9	D392 G393 M397	D392-T395 PolarHBondContact O-N 2.78Å; G393-T395 PolarHBondContact O-N 3.49Å; T395-M397 PolarHBondContact O-N 2.72Å; T395-M397 WeakPolarHBondContact OG1-CG 3.4Å
396	V	48.2	Very low	67.2	Low	85 Å²	85	41.3 Å²	41.3	52%	0.515	24%	0.241	S	C	.	.			trans	-74	67.6	164.7	-171.2	0	0	0	0	108	N345	N345-V396 HydrophobicContact CB-CG1 4.26Å
397	M	49.2	Very low	67.4	Low	104 Å²	104	40.7 Å²	40.7	51%	0.512	24%	0.239	S	C	.	.			trans	-81.3	147.8	176.7	-86.3	-177.2	150.3	0	0	110.5	T395 V399 P423	T395-M397 PolarHBondContact O-N 2.72Å; T395-M397 WeakPolarHBondContact OG1-CG 3.4Å; M397-V399 PolarHBondContact O-N 3.16Å; M397-V399 VanDerWaalsContact O-N 3.15Å; M397-P423 HydrophobicContact SD-CG 4.47Å
398	S	48.7	Very low	67.6	Low	78 Å²	78	38.4 Å²	38.4	55%	0.545	23%	0.23	S	C	.	.			trans	-69.5	110.5	162.9	70.3	0	0	0	0	108.6	N345 S400	N345-S398 WeakPolarHBondContact ND2-CA 3.45Å; N345-S398 PolarHBondContact ND2-N 2.89Å; N345-S398 VanDerWaalsContact OD1-CA 3.27Å; N345-S398 WeakPolarHBondContact OD1-CA 3.27Å; S398-S400 PolarHBondContact O-N 2.7Å; S398-S400 VanDerWaalsContact O-N 3.12Å
399	V	52.6	Low	67.6	Low	18 Å²	18	38.6 Å²	38.6	11%	0.109	23%	0.231	C	C	.	.			trans	-64.3	113.6	167.5	177.9	0	0	0	0	107.1	R369 M397 L422	R369-V399 WeakPolarHBondContact O-CG2 3.44Å; M397-V399 PolarHBondContact O-N 3.16Å; M397-V399 VanDerWaalsContact O-N 3.15Å; V399-L422 HydrophobicContact CB-CD1 4.26Å; V399-L422 HydrophobicContact CG1-CD1 3.65Å; V399-L422 HydrophobicContact CG2-CB 4.41Å; V399-L422 HydrophobicContact CG2-CD1 3.54Å
400	S	46.9	Very low	67.6	Low	63 Å²	63	35.3 Å²	35.3	44%	0.441	22%	0.218	S	C	.	.			trans	-75.7	-16.4	175.1	58.5	0	0	0	0	112	S398 V451 S452	S398-S400 PolarHBondContact O-N 2.7Å; S398-S400 VanDerWaalsContact O-N 3.12Å; S400-V451 WeakPolarHBondContact OG-CG1 3.44Å; S400-V451 PolarHBondContact OG-O 2.98Å; S400-S452 WeakPolarHBondContact OG-CA 3.38Å; S400-S452 PolarHBondContact OG-N 2.89Å; S400-S452 VanDerWaalsContact OG-N 3.11Å
401	S	55.2	Low	67.4	Low	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-61.5	138.8	169.7	-164.7	0	0	0	0	111.7	R369 I403 C453 A454	R369-S401 PolarHBondContact NH2-O 3.18Å; S401-I403 VanDerWaalsContact C-N 3.29Å; S401-I403 PolarHBondContact OG-N 3.27Å; S401-I403 PolarHBondContact OG-O 2.76Å; S401-C453 WeakPolarHBondContact CB-O 3.48Å; S401-C453 PolarHBondContact OG-O 3.13Å; S401-A454 WeakPolarHBondContact OG-CA 3.5Å
402	H	62.6	Low	66.9	Low	64 Å²	64	38.8 Å²	38.8	30%	0.296	24%	0.235	S	C	.	.	S	Bend	trans	-73.5	-26.6	175	59.5	-70.5	0	0	0	111.5	I98 R369	I98-H402 HydrophobicContact CD1-CB 4.15Å; I98-H402 WeakPolarHBondContact CD1-ND1 3.5Å; R369-H402 PolarHBondContact NH2-O 2.83Å
403	I	72.8	Confident	67.2	Low	38 Å²	38	42.1 Å²	42.1	20%	0.195	25%	0.253	C	S	.	.	S	Bend	trans	-94.1	117.7	178.5	-60.4	174.1	0	0	0	108.8	S401 A454 P455	S401-I403 VanDerWaalsContact C-N 3.29Å; S401-I403 PolarHBondContact OG-N 3.27Å; S401-I403 PolarHBondContact OG-O 2.76Å; I403-A454 HydrophobicContact CB-CB 4.37Å; I403-A454 HydrophobicContact CD1-CB 3.91Å; I403-P455 HydrophobicContact CG2-CG 4.24Å; I403-P455 VanDerWaalsContact O-CD 3.27Å; I403-P455 WeakPolarHBondContact O-CD 3.08Å
404	P	76.3	Confident	67.9	Low	23 Å²	23	43.6 Å²	43.6	15%	0.149	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-74	157.7	176.2	31.3	-33.5	0	0	0	111.3	R369	R369-P404 HydrophobicContact CG-CB 4.33Å
405	P	80.4	Confident	69	Low	1 Å²	1	43.5 Å²	43.5	1%	0.006	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-65.6	141.4	171	29.7	-31.7	0	0	0	109.8	R369 P420 L422	R369-P405 WeakPolarHBondContact O-CD 3.34Å; P405-P420 HydrophobicContact CB-CB 4.28Å; P405-P420 HydrophobicContact CB-CG 4.33Å; P405-L422 HydrophobicContact CB-CD1 4.12Å; P405-L422 HydrophobicContact CB-CG 4.46Å; P405-L422 HydrophobicContact CG-CD1 3.76Å; P405-L422 HydrophobicContact CG-CG 4.45Å
406	C	86.7	Confident	70.8	Confident	62 Å²	62	42 Å²	42	42%	0.419	25%	0.246	S	C	.	.			trans	-116.5	109	177.3	-72.5	0	0	0	0	108.9
407	P	90.4	Very high	72.8	Confident	9 Å²	9	38 Å²	38	6%	0.058	22%	0.222	C	C	.	.			trans	-68.1	147.2	170.3	30.6	-32.8	0	0	0	109.9	S350 I365 I373 I417 A418	S350-P407 VanDerWaalsContact OG-CD 3.26Å; S350-P407 WeakPolarHBondContact OG-CD 3.3Å; I365-P407 HydrophobicContact CG2-CB 4.21Å; I365-P407 HydrophobicContact CG2-CG 3.81Å; I373-P407 HydrophobicContact CD1-CB 3.98Å; I373-P407 HydrophobicContact CG1-CB 4.03Å; I373-P407 HydrophobicContact CG1-CG 4.3Å; I373-P407 HydrophobicContact CG2-CB 4.07Å; I373-P407 HydrophobicContact CG2-CG 4.12Å; P407-I417 HydrophobicContact CB-CD1 4.07Å; P407-I417 HydrophobicContact CB-CG1 4.19Å; P407-A418 CarbonylContact C-O 3.57Å; P407-A418 VanDerWaalsContact CA-O 3.3Å; P407-A418 WeakPolarHBondContact CA-O 3.39Å
408	V	88.1	Confident	74.7	Confident	29 Å²	29	33 Å²	33	18%	0.176	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.3	179.2	-66.6	0	0	0	0	111.3	A418 I458 H460	V408-A418 HydrophobicContact CG2-CB 4.28Å; V408-A418 PolarHBondContact N-O 2.78Å; V408-A418 PolarHBondContact O-N 2.8Å; V408-I458 HydrophobicContact CG2-CB 3.72Å; V408-I458 HydrophobicContact CG2-CG2 3.38Å; V408-H460 HydrophobicContact CB-CB 4.26Å; V408-H460 HydrophobicContact CG2-CB 3.59Å; V408-H460 PolarHBondContact O-ND1 2.95Å
409	I	85.5	Confident	76.7	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	145.5	172.9	-50.6	166.7	0	0	0	109	Q352 F354 I365 P411 Q414 I417 L432	Q352-I409 HydrophobicContact CG-CD1 4.41Å; Q352-I409 VanDerWaalsContact OE1-N 3.08Å; F354-I409 HydrophobicContact CB-CD1 4.1Å; F354-I409 HydrophobicContact CD1-CD1 3.5Å; F354-I409 HydrophobicContact CE1-CD1 4.17Å; F354-I409 HydrophobicContact CG-CD1 3.98Å; I365-I409 HydrophobicContact CB-CD1 4.06Å; I365-I409 HydrophobicContact CD1-CD1 4.4Å; I365-I409 HydrophobicContact CG1-CD1 3.23Å; I365-I409 HydrophobicContact CG1-CG1 3.86Å; I409-P411 VanDerWaalsContact O-CD 3.28Å; I409-P411 WeakPolarHBondContact O-CD 3.24Å; I409-Q414 HydrophobicContact CG2-CB 4.39Å; I409-I417 HydrophobicContact CG1-CD1 4.5Å; I409-I417 HydrophobicContact CG1-CG1 4.48Å; I409-L432 HydrophobicContact CD1-CD1 4.06Å; I409-L432 HydrophobicContact CG1-CD1 4.06Å; I409-L432 HydrophobicContact CG2-CD1 4.38Å; I409-L432 HydrophobicContact CG2-CD2 4.15Å
410	D	76.5	Confident	78.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.167	C	C	.	.			trans	-62.9	115.4	164.7	174.8	18.5	0	0	0	110	V412 L413 Q414 H460 T462	D410-V412 PolarHBondContact O-N 3.32Å; D410-V412 VanDerWaalsContact O-N 3.16Å; D410-V412 PolarHBondContact OD1-N 3.26Å; D410-L413 VanDerWaalsContact OD2-CB 3.28Å; D410-L413 WeakPolarHBondContact OD2-CB 3.19Å; D410-L413 WeakPolarHBondContact OD2-CG 3.27Å; D410-L413 PolarHBondContact OD2-N 2.89Å; D410-L413 VanDerWaalsContact OD2-N 3.07Å; D410-Q414 WeakPolarHBondContact O-CA 3.42Å; D410-Q414 WeakPolarHBondContact O-CG 3.22Å; D410-Q414 PolarHBondContact O-N 3.42Å; D410-H460 PolarHBondContact N-ND1 3.33Å; D410-T462 WeakPolarHBondContact OD2-CB 3.49Å; D410-T462 WeakPolarHBondContact OD2-CG2 3.37Å; D410-T462 PolarHBondContact OD2-OG1 2.62Å
411	P	70.8	Confident	79.7	Confident	29 Å²	29	25.9 Å²	25.9	19%	0.188	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.1	-177.4	28.7	-37.1	0	0	0	113.8	P220 I409 Q414 H460	P220-P411 HydrophobicContact CG-CB 4.32Å; P220-P411 HydrophobicContact CG-CG 4.24Å; I409-P411 VanDerWaalsContact O-CD 3.28Å; I409-P411 WeakPolarHBondContact O-CD 3.24Å; P411-Q414 PolarHBondContact O-NE2 3.49Å; P411-H460 WeakPolarHBondContact CD-O 3.42Å
412	V	71.9	Confident	80.4	Confident	64 Å²	64	26.7 Å²	26.7	39%	0.388	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-64.6	-179.8	178.3	0	0	0	0	112	P220 D410 S463	P220-V412 HydrophobicContact CB-CG2 3.88Å; P220-V412 HydrophobicContact CG-CG2 3.18Å; D410-V412 PolarHBondContact O-N 3.32Å; D410-V412 VanDerWaalsContact O-N 3.16Å; D410-V412 PolarHBondContact OD1-N 3.26Å; V412-S463 VanDerWaalsContact CG2-OG 3.26Å; V412-S463 WeakPolarHBondContact CG2-OG 3.47Å
413	L	75.9	Confident	80.3	Confident	97 Å²	97	25.6 Å²	25.6	51%	0.508	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-31.9	-174.8	-62.3	-179.7	0	0	0	111.9	D410 T415 T462	D410-L413 VanDerWaalsContact OD2-CB 3.28Å; D410-L413 WeakPolarHBondContact OD2-CB 3.19Å; D410-L413 WeakPolarHBondContact OD2-CG 3.27Å; D410-L413 PolarHBondContact OD2-N 2.89Å; D410-L413 VanDerWaalsContact OD2-N 3.07Å; L413-T415 HydrophobicContact CB-CG2 4.17Å; L413-T415 WeakPolarHBondContact O-CG2 3.42Å; L413-T415 PolarHBondContact O-N 2.84Å; L413-T415 VanDerWaalsContact O-N 3.15Å; L413-T462 HydrophobicContact CD1-CG2 3.67Å; L413-T462 WeakPolarHBondContact CD1-OG1 3.46Å; L413-T462 HydrophobicContact CG-CG2 4.5Å; L413-T462 VanDerWaalsContact CG-OG1 3.24Å; L413-T462 WeakPolarHBondContact CG-OG1 3.34Å
414	Q	80.1	Confident	79.7	Confident	35 Å²	35	26.4 Å²	26.4	16%	0.164	16%	0.155	C	C	.	.			trans	50.3	36.4	-175.6	-56.2	179.6	10.2	0	0	112.4	G355 I409 D410 P411 L432 H433	G355-Q414 PolarHBondContact O-NE2 3.03Å; G355-Q414 PolarHBondContact O-OE1 2.85Å; I409-Q414 HydrophobicContact CG2-CB 4.39Å; D410-Q414 WeakPolarHBondContact O-CA 3.42Å; D410-Q414 WeakPolarHBondContact O-CG 3.22Å; D410-Q414 PolarHBondContact O-N 3.42Å; P411-Q414 PolarHBondContact O-NE2 3.49Å; Q414-L432 HydrophobicContact CB-CD2 4.4Å; Q414-L432 WeakPolarHBondContact O-CD2 3.42Å; Q414-H433 PolarHBondContact O-CE1 3.27Å; Q414-H433 PolarHBondContact O-NE2 3.42Å
415	T	81.6	Confident	79.4	Confident	57 Å²	57	26.9 Å²	26.9	35%	0.35	16%	0.155	S	C	.	.			trans	-105.1	-20	-178.9	47.8	0	0	0	0	113	L413 L432	L413-T415 HydrophobicContact CB-CG2 4.17Å; L413-T415 WeakPolarHBondContact O-CG2 3.42Å; L413-T415 PolarHBondContact O-N 2.84Å; L413-T415 VanDerWaalsContact O-N 3.15Å; T415-L432 VanDerWaalsContact C-CB 3.49Å; T415-L432 WeakPolarHBondContact O-CB 3.41Å; T415-L432 PolarHBondContact O-N 3.36Å
416	T	87	Confident	79.3	Confident	22 Å²	22	29 Å²	29	14%	0.135	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.7	-169.4	46.5	0	0	0	0	110.7	W430 I438 H460	T416-W430 WeakPolarHBondContact CA-O 3.04Å; T416-I438 HydrophobicContact CG2-CD1 3.48Å; T416-I438 VanDerWaalsContact CG2-CD1 3.48Å; T416-H460 PolarHBondContact O-CE1 3.18Å; T416-H460 VanDerWaalsContact O-CE1 3.26Å; T416-H460 PolarHBondContact OG1-CE1 2.75Å; T416-H460 PolarHBondContact OG1-NE2 2.8Å
417	I	89.4	Confident	79	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.1	174.7	-175	164.7	0	0	0	109.2	I365 I373 Y388 P407 I409 I429 W430 L432	I365-I417 HydrophobicContact CB-CD1 4.41Å; I365-I417 HydrophobicContact CD1-CD1 3.81Å; I365-I417 HydrophobicContact CG1-CD1 3.93Å; I365-I417 HydrophobicContact CG2-CD1 3.59Å; I373-I417 HydrophobicContact CG2-CD1 3.5Å; I373-I417 VanDerWaalsContact CG2-CD1 3.5Å; Y388-I417 HydrophobicContact CD1-CG2 3.87Å; Y388-I417 HydrophobicContact CE1-CG2 3.6Å; Y388-I417 HydrophobicContact CE2-CD1 4.18Å; Y388-I417 HydrophobicContact CG-CG2 4.5Å; P407-I417 HydrophobicContact CB-CD1 4.07Å; P407-I417 HydrophobicContact CB-CG1 4.19Å; I409-I417 HydrophobicContact CG1-CD1 4.5Å; I409-I417 HydrophobicContact CG1-CG1 4.48Å; I417-I429 CarbonylContact O-C 3.38Å; I417-I429 VanDerWaalsContact O-CA 3.3Å; I417-I429 WeakPolarHBondContact O-CA 3.14Å; I417-W430 HydrophobicContact CG2-CB 3.67Å; I417-W430 HydrophobicContact CG2-CE3 4.17Å; I417-W430 HydrophobicContact CG2-CG 4.46Å; I417-W430 PolarHBondContact N-O 3.11Å; I417-W430 PolarHBondContact O-N 2.78Å; I417-L432 HydrophobicContact CB-CD1 4.05Å; I417-L432 HydrophobicContact CD1-CD1 4.44Å; I417-L432 HydrophobicContact CG2-CD1 4.5Å
418	A	89.4	Confident	78.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.3	177.7	0	0	0	0	0	110.1	P407 V408 I427 G428 I429 I458 L477	P407-A418 CarbonylContact C-O 3.57Å; P407-A418 VanDerWaalsContact CA-O 3.3Å; P407-A418 WeakPolarHBondContact CA-O 3.39Å; V408-A418 HydrophobicContact CG2-CB 4.28Å; V408-A418 PolarHBondContact N-O 2.78Å; V408-A418 PolarHBondContact O-N 2.8Å; A418-I427 HydrophobicContact CB-CG2 4.36Å; A418-G428 VanDerWaalsContact CA-O 3.29Å; A418-G428 WeakPolarHBondContact CA-O 3.49Å; A418-I429 HydrophobicContact CB-CG1 4.2Å; A418-I458 HydrophobicContact CB-CG2 4.26Å; A418-L477 HydrophobicContact CB-CD1 3.63Å; A418-L477 HydrophobicContact CB-CD2 4.49Å
419	S	89.8	Confident	78.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	147.5	178.9	-172.6	0	0	0	0	112.3	L421 I427 G428	S419-L421 PolarHBondContact O-N 3.03Å; S419-I427 WeakPolarHBondContact O-CA 3.21Å; S419-G428 PolarHBondContact N-O 3.12Å; S419-G428 PolarHBondContact O-N 3.12Å
420	P	84.9	Confident	78.8	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.013	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	131.5	168.7	-17.4	31.9	0	0	0	110.6	P405 P455 P456 I458	P405-P420 HydrophobicContact CB-CB 4.28Å; P405-P420 HydrophobicContact CB-CG 4.33Å; P420-P455 HydrophobicContact CB-CB 3.69Å; P420-P455 HydrophobicContact CG-CB 3.85Å; P420-P456 HydrophobicContact CB-CG 4.1Å; P420-P456 HydrophobicContact CG-CG 4.17Å; P420-P456 WeakPolarHBondContact CG-O 3.37Å; P420-I458 HydrophobicContact CG-CD1 3.69Å; P420-I458 HydrophobicContact CG-CG1 4.01Å
421	L	78.9	Confident	79.3	Confident	7 Å²	7	26.4 Å²	26.4	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	102.3	173.1	-66.5	179.6	0	0	0	109.5	G390 S391 S419 N424 H426 W430 V440	G390-L421 WeakPolarHBondContact O-CD2 3.47Å; S391-L421 VanDerWaalsContact O-CD2 3.28Å; S391-L421 WeakPolarHBondContact O-CD2 3.22Å; S419-L421 PolarHBondContact O-N 3.03Å; L421-N424 PolarHBondContact O-N 3.22Å; L421-H426 HydrophobicContact CB-CB 4.1Å; L421-H426 HydrophobicContact CD1-CB 4.04Å; L421-H426 PolarHBondContact N-O 3.08Å; L421-W430 HydrophobicContact CD2-CH2 3.58Å; L421-W430 HydrophobicContact CD2-CZ2 3.93Å; L421-W430 HydrophobicContact CG-CH2 4.4Å; L421-V440 HydrophobicContact CD1-CG1 3.66Å; L421-V440 HydrophobicContact CD1-CG2 4.45Å
422	L	69.8	Low	80	Confident	17 Å²	17	25 Å²	25	9%	0.089	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	151	176.8	-65.9	177.1	0	0	0	111.4	V399 P405 N424 P455	V399-L422 HydrophobicContact CB-CD1 4.26Å; V399-L422 HydrophobicContact CG1-CD1 3.65Å; V399-L422 HydrophobicContact CG2-CB 4.41Å; V399-L422 HydrophobicContact CG2-CD1 3.54Å; P405-L422 HydrophobicContact CB-CD1 4.12Å; P405-L422 HydrophobicContact CB-CG 4.46Å; P405-L422 HydrophobicContact CG-CD1 3.76Å; P405-L422 HydrophobicContact CG-CG 4.45Å; L422-N424 VanDerWaalsContact C-N 3.26Å; L422-P455 HydrophobicContact CD2-CB 4.05Å
423	P	60.2	Low	80.6	Confident	41 Å²	41	24 Å²	24	27%	0.266	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.9	23.1	-12.3	36.7	-36.8	0	0	0	113	M397 V451	M397-P423 HydrophobicContact SD-CG 4.47Å; P423-V451 HydrophobicContact CB-CG1 4.2Å; P423-V451 HydrophobicContact CB-CG2 4.39Å
424	N	59.8	Low	80.9	Confident	55 Å²	55	25.3 Å²	25.3	29%	0.294	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	2	-157.6	-63.8	-70.9	0	0	0	115.6	R56 L421 L422 H426	R56-N424 PolarHBondContact NH2-ND2 3.47Å; L421-N424 PolarHBondContact O-N 3.22Å; L422-N424 VanDerWaalsContact C-N 3.26Å; N424-H426 PolarHBondContact O-CE1 2.8Å; N424-H426 PolarHBondContact O-N 3.05Å; N424-H426 VanDerWaalsContact O-N 3.14Å; N424-H426 PolarHBondContact O-ND1 2.76Å
425	H	70.4	Confident	81	Confident	33 Å²	33	23.9 Å²	23.9	15%	0.153	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	37	-172.8	-56.3	-78.1	0	0	0	112.6	L443 Q449	H425-L443 HydrophobicContact CB-CB 4.43Å; H425-L443 VanDerWaalsContact O-CB 3.28Å; H425-L443 WeakPolarHBondContact O-CB 3.31Å; H425-L443 VanDerWaalsContact O-CG 3.3Å; H425-L443 WeakPolarHBondContact O-CG 3.21Å; H425-L443 PolarHBondContact O-N 2.84Å; H425-Q449 VanDerWaalsContact CE1-CB 3.41Å; H425-Q449 WeakPolarHBondContact CE1-CB 3.28Å; H425-Q449 PolarHBondContact CE1-OE1 2.91Å; H425-Q449 PolarHBondContact ND1-OE1 3.12Å; H425-Q449 WeakPolarHBondContact NE2-CB 3.33Å
426	H	77.8	Confident	81	Confident	45 Å²	45	23.5 Å²	23.5	21%	0.208	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	160.8	170.6	-69.1	60.9	0	0	0	109.2	L421 N424 V440 Y441	L421-H426 HydrophobicContact CB-CB 4.1Å; L421-H426 HydrophobicContact CD1-CB 4.04Å; L421-H426 PolarHBondContact N-O 3.08Å; N424-H426 PolarHBondContact O-CE1 2.8Å; N424-H426 PolarHBondContact O-N 3.05Å; N424-H426 VanDerWaalsContact O-N 3.14Å; N424-H426 PolarHBondContact O-ND1 2.76Å; H426-V440 HydrophobicContact CB-CG1 3.85Å; H426-Y441 CarbonylContact C-O 3.56Å; H426-Y441 WeakPolarHBondContact CA-O 3.33Å; H426-Y441 VanDerWaalsContact CB-O 3.29Å; H426-Y441 WeakPolarHBondContact CB-O 3.35Å
427	I	81.4	Confident	80.9	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120	168.7	-59.3	169.9	0	0	0	107.5	A418 S419 V440 Y441 L443 I458 L477 A479 F488	A418-I427 HydrophobicContact CB-CG2 4.36Å; S419-I427 WeakPolarHBondContact O-CA 3.21Å; I427-V440 CarbonylContact O-C 3.51Å; I427-V440 VanDerWaalsContact O-CA 3.31Å; I427-V440 WeakPolarHBondContact O-CA 3.44Å; I427-Y441 PolarHBondContact N-O 3.05Å; I427-Y441 PolarHBondContact O-N 3.15Å; I427-L443 HydrophobicContact CD1-CD2 4.08Å; I427-I458 HydrophobicContact CB-CD1 4.37Å; I427-I458 HydrophobicContact CD1-CD1 4.12Å; I427-I458 HydrophobicContact CD1-CG1 4.44Å; I427-I458 HydrophobicContact CG1-CD1 3.95Å; I427-I458 HydrophobicContact CG2-CD1 3.6Å; I427-L477 HydrophobicContact CD1-CD2 4.19Å; I427-L477 HydrophobicContact CG2-CD2 3.77Å; I427-A479 HydrophobicContact CD1-CB 3.35Å; I427-F488 HydrophobicContact CD1-CE2 3.91Å; I427-F488 HydrophobicContact CD1-CZ 4.32Å
428	G	84.5	Confident	80.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	143.5	171.2	0	0	0	0	0	110.2	A418 S419 W430	A418-G428 VanDerWaalsContact CA-O 3.29Å; A418-G428 WeakPolarHBondContact CA-O 3.49Å; S419-G428 PolarHBondContact N-O 3.12Å; S419-G428 PolarHBondContact O-N 3.12Å; G428-W430 WeakPolarHBondContact O-CZ3 3.12Å
429	I	86.7	Confident	80.1	Confident	15 Å²	15	30.1 Å²	30.1	8%	0.077	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.1	170.5	-55.9	-171.3	0	0	0	108.7	I417 A418 I438 D439 Y441 L477	I417-I429 CarbonylContact O-C 3.38Å; I417-I429 VanDerWaalsContact O-CA 3.3Å; I417-I429 WeakPolarHBondContact O-CA 3.14Å; A418-I429 HydrophobicContact CB-CG1 4.2Å; I429-I438 HydrophobicContact CB-CB 4.47Å; I429-I438 HydrophobicContact CG2-CB 4.12Å; I429-I438 HydrophobicContact CG2-CD1 4.22Å; I429-I438 HydrophobicContact CG2-CG2 4.5Å; I429-I438 PolarHBondContact O-N 3.01Å; I429-D439 PolarHBondContact N-O 2.8Å; I429-D439 PolarHBondContact O-N 2.82Å; I429-Y441 HydrophobicContact CD1-CD2 4.03Å; I429-Y441 HydrophobicContact CD1-CE2 3.46Å; I429-Y441 VanDerWaalsContact CD1-CE2 3.46Å; I429-Y441 HydrophobicContact CG1-CE2 4.32Å; I429-L477 HydrophobicContact CD1-CD2 4.11Å
430	W	88.2	Confident	79.7	Confident	3 Å²	3	31.7 Å²	31.7	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	155.1	176.1	-55.1	-106.8	0	0	0	111.2	I373 Y388 Y389 S391 T416 I417 L421 G428 L432 D436	I373-W430 HydrophobicContact CD1-CE3 4.23Å; I373-W430 HydrophobicContact CD1-CH2 4.07Å; I373-W430 HydrophobicContact CD1-CZ3 3.73Å; Y388-W430 HydrophobicContact CD1-CB 3.6Å; Y388-W430 AromaticContact CD1-CG 3.87Å; Y388-W430 HydrophobicContact CD1-CG 3.87Å; Y388-W430 HydrophobicContact CE1-CB 4.16Å; Y388-W430 HydrophobicContact CG-CG 4.45Å; Y389-W430 PolarHBondContact O-NE1 2.86Å; S391-W430 VanDerWaalsContact CA-CZ2 3.48Å; T416-W430 WeakPolarHBondContact CA-O 3.04Å; I417-W430 HydrophobicContact CG2-CB 3.67Å; I417-W430 HydrophobicContact CG2-CE3 4.17Å; I417-W430 HydrophobicContact CG2-CG 4.46Å; I417-W430 PolarHBondContact N-O 3.11Å; I417-W430 PolarHBondContact O-N 2.78Å; L421-W430 HydrophobicContact CD2-CH2 3.58Å; L421-W430 HydrophobicContact CD2-CZ2 3.93Å; L421-W430 HydrophobicContact CG-CH2 4.4Å; G428-W430 WeakPolarHBondContact O-CZ3 3.12Å; W430-L432 PolarHBondContact O-N 3.48Å; W430-D436 CarbonylContact C-O 3.48Å; W430-D436 WeakPolarHBondContact CA-O 3.42Å; W430-D436 WeakPolarHBondContact CB-O 3.42Å
431	D	86.4	Confident	79.3	Confident	33 Å²	33	33.4 Å²	33.4	18%	0.176	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	122	164.2	-177.7	-53.9	0	0	0	108.1	Y388 H433 K434 G435 D436 I438	Y388-D431 WeakPolarHBondContact CE1-O 2.97Å; D431-H433 PolarHBondContact O-N 2.67Å; D431-H433 WeakPolarHBondContact OD1-CA 3.27Å; D431-H433 PolarHBondContact OD1-N 3.43Å; D431-K434 HydrophobicContact CB-CB 4.17Å; D431-K434 PolarHBondContact OD1-N 2.97Å; D431-G435 WeakPolarHBondContact O-CA 2.92Å; D431-G435 PolarHBondContact O-N 3.22Å; D431-D436 PolarHBondContact N-O 3.2Å; D431-I438 HydrophobicContact CB-CD1 4.07Å; D431-I438 HydrophobicContact CB-CG1 4.23Å
432	L	86.6	Confident	79	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.5	-175.7	-173.8	74.6	0	0	0	111.6	F354 I365 Y388 I409 Q414 T415 I417 W430	F354-L432 HydrophobicContact CD2-CD2 4.27Å; F354-L432 HydrophobicContact CE1-CD2 4.43Å; F354-L432 HydrophobicContact CE2-CD2 3.88Å; F354-L432 HydrophobicContact CZ-CD2 3.96Å; I365-L432 HydrophobicContact CD1-CD1 3.83Å; I365-L432 HydrophobicContact CG1-CD1 4.17Å; Y388-L432 WeakPolarHBondContact OH-CD1 3.24Å; Y388-L432 PolarHBondContact OH-O 2.89Å; I409-L432 HydrophobicContact CD1-CD1 4.06Å; I409-L432 HydrophobicContact CG1-CD1 4.06Å; I409-L432 HydrophobicContact CG2-CD1 4.38Å; I409-L432 HydrophobicContact CG2-CD2 4.15Å; Q414-L432 HydrophobicContact CB-CD2 4.4Å; Q414-L432 WeakPolarHBondContact O-CD2 3.42Å; T415-L432 VanDerWaalsContact C-CB 3.49Å; T415-L432 WeakPolarHBondContact O-CB 3.41Å; T415-L432 PolarHBondContact O-N 3.36Å; I417-L432 HydrophobicContact CB-CD1 4.05Å; I417-L432 HydrophobicContact CD1-CD1 4.44Å; I417-L432 HydrophobicContact CG2-CD1 4.5Å; W430-L432 PolarHBondContact O-N 3.48Å
433	H	83.7	Confident	79	Confident	43 Å²	43	37.5 Å²	37.5	20%	0.199	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-22.8	-169.2	-56.9	-55.3	0	0	0	113.6	F30 I386 Q414 D431	F30-H433 HydrophobicContact CD2-CB 3.95Å; F30-H433 AromaticContact CD2-CG 3.87Å; F30-H433 AromaticContact CD2-ND1 3.51Å; F30-H433 AromaticContact CE1-CE1 3.5Å; F30-H433 VanDerWaalsContact CE1-CE1 3.5Å; F30-H433 WeakPolarHBondContact CE1-CE1 3.19Å; F30-H433 AromaticContact CE1-ND1 3.65Å; F30-H433 HydrophobicContact CE2-CB 4.39Å; F30-H433 AromaticContact CE2-CE1 3.72Å; F30-H433 AromaticContact CE2-CG 3.93Å; F30-H433 AromaticContact CE2-ND1 3.09Å; F30-H433 WeakPolarHBondContact CE2-ND1 3.37Å; F30-H433 HydrophobicContact CG-CB 4.26Å; F30-H433 AromaticContact CZ-CE1 3.27Å; F30-H433 WeakPolarHBondContact CZ-CE1 3.41Å; F30-H433 AromaticContact CZ-ND1 3.19Å; F30-H433 WeakPolarHBondContact CZ-ND1 3.12Å; I386-H433 VanDerWaalsContact CD1-C 3.47Å; I386-H433 WeakPolarHBondContact CD1-O 3.45Å; Q414-H433 PolarHBondContact O-CE1 3.27Å; Q414-H433 PolarHBondContact O-NE2 3.42Å; D431-H433 PolarHBondContact O-N 2.67Å; D431-H433 WeakPolarHBondContact OD1-CA 3.27Å; D431-H433 PolarHBondContact OD1-N 3.43Å
434	K	81.8	Confident	78.9	Confident	123 Å²	123	38.6 Å²	38.6	54%	0.535	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-26.2	179.4	-60.9	178	-174.6	167.3	0	113.2	D431 D436	D431-K434 HydrophobicContact CB-CB 4.17Å; D431-K434 PolarHBondContact OD1-N 2.97Å; K434-D436 HydrophobicContact CB-CB 4.39Å; K434-D436 WeakPolarHBondContact CB-OD2 3.41Å; K434-D436 PolarHBondContact O-N 3.41Å
435	G	82.6	Confident	78.7	Confident	5 Å²	5	38.8 Å²	38.8	5%	0.052	20%	0.196	C	C	.	.			trans	78.3	2.1	-171.9	0	0	0	0	0	114.2	D431	D431-G435 WeakPolarHBondContact O-CA 2.92Å; D431-G435 PolarHBondContact O-N 3.22Å
436	D	82	Confident	77.4	Confident	49 Å²	49	48.1 Å²	48.1	26%	0.262	23%	0.23	S	C	.	.			trans	-70.6	137.9	179.5	-66.2	-33.7	0	0	0	110.9	W430 D431 K434 I438	W430-D436 CarbonylContact C-O 3.48Å; W430-D436 WeakPolarHBondContact CA-O 3.42Å; W430-D436 WeakPolarHBondContact CB-O 3.42Å; D431-D436 PolarHBondContact N-O 3.2Å; K434-D436 HydrophobicContact CB-CB 4.39Å; K434-D436 WeakPolarHBondContact CB-OD2 3.41Å; K434-D436 PolarHBondContact O-N 3.41Å; D436-I438 PolarHBondContact O-N 3.2Å
437	V	83.7	Confident	75.9	Confident	13 Å²	13	51.9 Å²	51.9	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	122.4	169.7	-177.4	0	0	0	0	109.1	T45 K48 V440	T45-V437 HydrophobicContact CG2-CG2 3.94Å; K48-V437 HydrophobicContact CD-CB 4.48Å; K48-V437 PolarHBondContact NZ-O 2.69Å; V437-V440 HydrophobicContact CG1-CG2 3.92Å
438	I	80.7	Confident	74.2	Confident	90 Å²	90	56.5 Å²	56.5	46%	0.462	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-57.8	173	-65.7	174.6	0	0	0	109.1	T416 I429 D431 D436	T416-I438 HydrophobicContact CG2-CD1 3.48Å; T416-I438 VanDerWaalsContact CG2-CD1 3.48Å; I429-I438 HydrophobicContact CB-CB 4.47Å; I429-I438 HydrophobicContact CG2-CB 4.12Å; I429-I438 HydrophobicContact CG2-CD1 4.22Å; I429-I438 HydrophobicContact CG2-CG2 4.5Å; I429-I438 PolarHBondContact O-N 3.01Å; D431-I438 HydrophobicContact CB-CD1 4.07Å; D431-I438 HydrophobicContact CB-CG1 4.23Å; D436-I438 PolarHBondContact O-N 3.2Å
439	D	81.7	Confident	72.6	Confident	58 Å²	58	58.7 Å²	58.7	31%	0.31	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	163.3	-176.8	-154.5	-5.4	0	0	0	111.4	I429 Y441	I429-D439 PolarHBondContact N-O 2.8Å; I429-D439 PolarHBondContact O-N 2.82Å; D439-Y441 VanDerWaalsContact OD2-CE1 3.27Å; D439-Y441 WeakPolarHBondContact OD2-CE1 3.06Å; D439-Y441 VanDerWaalsContact OD2-CZ 3.3Å; D439-Y441 PolarHBondContact OD2-OH 2.87Å; D439-Y441 VanDerWaalsContact OD2-OH 3.07Å
440	V	82.1	Confident	71	Confident	33 Å²	33	60.6 Å²	60.6	20%	0.2	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	115.2	174.2	-175.9	0	0	0	0	110	M52 L421 H426 I427 V437	M52-V440 HydrophobicContact CE-CB 4.03Å; M52-V440 HydrophobicContact CE-CG1 3.88Å; M52-V440 HydrophobicContact CE-CG2 3.73Å; M52-V440 HydrophobicContact SD-CG2 3.93Å; L421-V440 HydrophobicContact CD1-CG1 3.66Å; L421-V440 HydrophobicContact CD1-CG2 4.45Å; H426-V440 HydrophobicContact CB-CG1 3.85Å; I427-V440 CarbonylContact O-C 3.51Å; I427-V440 VanDerWaalsContact O-CA 3.31Å; I427-V440 WeakPolarHBondContact O-CA 3.44Å; V437-V440 HydrophobicContact CG1-CG2 3.92Å
441	Y	76.2	Confident	69.4	Low	38 Å²	38	64.3 Å²	64.3	15%	0.149	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.7	179.5	-62.9	-61.5	0	0	0	111.8	N140 H426 I427 I429 D439 L477 F488	N140-Y441 HydrophobicContact CB-CE1 4.47Å; H426-Y441 CarbonylContact C-O 3.56Å; H426-Y441 WeakPolarHBondContact CA-O 3.33Å; H426-Y441 VanDerWaalsContact CB-O 3.29Å; H426-Y441 WeakPolarHBondContact CB-O 3.35Å; I427-Y441 PolarHBondContact N-O 3.05Å; I427-Y441 PolarHBondContact O-N 3.15Å; I429-Y441 HydrophobicContact CD1-CD2 4.03Å; I429-Y441 HydrophobicContact CD1-CE2 3.46Å; I429-Y441 VanDerWaalsContact CD1-CE2 3.46Å; I429-Y441 HydrophobicContact CG1-CE2 4.32Å; D439-Y441 VanDerWaalsContact OD2-CE1 3.27Å; D439-Y441 WeakPolarHBondContact OD2-CE1 3.06Å; D439-Y441 VanDerWaalsContact OD2-CZ 3.3Å; D439-Y441 PolarHBondContact OD2-OH 2.87Å; D439-Y441 VanDerWaalsContact OD2-OH 3.07Å; Y441-L477 HydrophobicContact CD2-CD2 4.4Å; Y441-F488 VanDerWaalsContact CB-CE1 3.48Å; Y441-F488 AromaticContact CD1-CD1 3.57Å; Y441-F488 HydrophobicContact CD1-CD1 3.57Å; Y441-F488 AromaticContact CD1-CE1 3.9Å; Y441-F488 HydrophobicContact CD1-CE1 3.9Å; Y441-F488 HydrophobicContact CD1-CG 4.49Å; Y441-F488 HydrophobicContact CD2-CB 4.28Å; Y441-F488 AromaticContact CD2-CD1 3.66Å; Y441-F488 HydrophobicContact CD2-CD1 3.66Å; Y441-F488 HydrophobicContact CD2-CD2 4.47Å; Y441-F488 HydrophobicContact CD2-CE1 4.09Å; Y441-F488 AromaticContact CD2-CG 3.87Å; Y441-F488 HydrophobicContact CD2-CG 3.87Å; Y441-F488 HydrophobicContact CE1-CD1 4.01Å; Y441-F488 HydrophobicContact CE2-CB 3.93Å; Y441-F488 HydrophobicContact CE2-CD1 4.03Å; Y441-F488 HydrophobicContact CE2-CG 4.04Å; Y441-F488 AromaticContact CG-CD1 3.41Å; Y441-F488 HydrophobicContact CG-CD1 3.41Å; Y441-F488 VanDerWaalsContact CG-CD1 3.41Å; Y441-F488 AromaticContact CG-CE1 3.55Å; Y441-F488 HydrophobicContact CG-CE1 3.55Å; Y441-F488 HydrophobicContact CG-CG 4.12Å; Y441-F488 HydrophobicContact CG-CZ 4.33Å
442	E	72.5	Confident	67.9	Low	103 Å²	103	65.6 Å²	65.6	48%	0.481	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.5	169.3	-175.1	170.3	-169.8	0	0	109	K59	K59-E442 VanDerWaalsContact NZ-CD 3.31Å; K59-E442 IonicContact NZ-OE1 2.75Å; K59-E442 PolarHBondContact NZ-OE1 3.45Å; K59-E442 IonicContact NZ-OE2 2.83Å; K59-E442 PolarHBondContact NZ-OE2 3.25Å
443	L	69.5	Low	66.9	Low	7 Å²	7	66.7 Å²	66.7	4%	0.037	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-74.4	127.2	168.8	-59.4	-178.4	0	0	0	108.5	H425 I427 H445 P456 Y486 F488	H425-L443 HydrophobicContact CB-CB 4.43Å; H425-L443 VanDerWaalsContact O-CB 3.28Å; H425-L443 WeakPolarHBondContact O-CB 3.31Å; H425-L443 VanDerWaalsContact O-CG 3.3Å; H425-L443 WeakPolarHBondContact O-CG 3.21Å; H425-L443 PolarHBondContact O-N 2.84Å; I427-L443 HydrophobicContact CD1-CD2 4.08Å; L443-H445 PolarHBondContact O-N 2.95Å; L443-P456 HydrophobicContact CD1-CB 4.19Å; L443-P456 HydrophobicContact CD1-CG 3.88Å; L443-Y486 HydrophobicContact CD1-CE2 4.42Å; L443-Y486 HydrophobicContact CD2-CD1 4.1Å; L443-Y486 HydrophobicContact CD2-CD2 3.71Å; L443-Y486 HydrophobicContact CD2-CE1 4.46Å; L443-Y486 HydrophobicContact CD2-CE2 4.09Å; L443-Y486 HydrophobicContact CD2-CG 3.7Å; L443-F488 HydrophobicContact CD2-CE2 4.48Å; L443-F488 HydrophobicContact CD2-CZ 3.85Å
444	S	59	Low	66.3	Low	64 Å²	64	65 Å²	65	45%	0.448	34%	0.344	S	S	.	.	S	Bend	trans	-68.1	-8.1	-166	53.2	0	0	0	0	115.4	R446	S444-R446 PolarHBondContact O-N 2.81Å; S444-R446 VanDerWaalsContact O-N 3.12Å
445	H	55.1	Low	66.1	Low	60 Å²	60	59.7 Å²	59.7	28%	0.278	32%	0.321	S	S	.	.			trans	-76.3	103.4	-178	-118.4	-62.9	0	0	0	111.6	L443 L447 Y484	L443-H445 PolarHBondContact O-N 2.95Å; H445-L447 VanDerWaalsContact C-N 3.32Å; H445-Y484 AromaticContact CD2-CE2 3.8Å; H445-Y484 AromaticContact CD2-CZ 3.94Å; H445-Y484 AromaticContact NE2-CE1 3.96Å; H445-Y484 AromaticContact NE2-CE2 3.51Å; H445-Y484 AromaticContact NE2-CZ 3.33Å; H445-Y484 VanDerWaalsContact NE2-CZ 3.33Å; H445-Y484 PolarHBondContact NE2-OH 3.16Å
446	R	44	Very low	65.9	Low	228 Å²	228	59.9 Å²	59.9	86%	0.86	32%	0.322	S	S	*	.			trans	-79.5	-7.1	178.7	-67.1	-168.8	-178	-175.3	4.3	114.4	S444 S448	S444-R446 PolarHBondContact O-N 2.81Å; S444-R446 VanDerWaalsContact O-N 3.12Å; R446-S448 PolarHBondContact O-N 3.27Å
447	L	45.9	Very low	65.9	Low	125 Å²	125	59.1 Å²	59.1	65%	0.654	32%	0.317	S	S	*	.	S	Bend	trans	-73.7	79.8	-177	-71.7	174.5	0	0	0	109.9	H445 Q449	H445-L447 VanDerWaalsContact C-N 3.32Å; L447-Q449 VanDerWaalsContact C-N 3.25Å; L447-Q449 PolarHBondContact O-N 3.22Å
448	S	45.1	Very low	65.9	Low	96 Å²	96	59 Å²	59	67%	0.671	32%	0.316	S	S	*	.			trans	16.6	63.7	159	64.3	0	0	0	0	114.5	R446 S450	R446-S448 PolarHBondContact O-N 3.27Å; S448-S450 PolarHBondContact O-N 2.56Å
449	Q	50.2	Low	65.9	Low	46 Å²	46	55.6 Å²	55.6	22%	0.215	30%	0.299	C	S	.	.			trans	-69.7	125.5	174.9	-79.8	-168.6	24.9	0	0	106.7	H425 L447 C453 D481	H425-Q449 VanDerWaalsContact CE1-CB 3.41Å; H425-Q449 WeakPolarHBondContact CE1-CB 3.28Å; H425-Q449 PolarHBondContact CE1-OE1 2.91Å; H425-Q449 PolarHBondContact ND1-OE1 3.12Å; H425-Q449 WeakPolarHBondContact NE2-CB 3.33Å; L447-Q449 VanDerWaalsContact C-N 3.25Å; L447-Q449 PolarHBondContact O-N 3.22Å; Q449-C453 HydrophobicContact CB-CB 4.16Å; Q449-D481 PolarHBondContact NE2-OD2 2.89Å; Q449-D481 VanDerWaalsContact NE2-OD2 3.11Å
450	S	53.6	Low	65.9	Low	56 Å²	56	53.3 Å²	53.3	39%	0.392	29%	0.286	S	S	.	.			trans	-57.4	152.4	178.4	67.9	0	0	0	0	110.2	S448 S452 C453	S448-S450 PolarHBondContact O-N 2.56Å; S450-S452 WeakPolarHBondContact CB-OG 3.39Å; S450-S452 PolarHBondContact O-N 3.46Å; S450-S452 PolarHBondContact OG-N 3.02Å; S450-S452 PolarHBondContact OG-OG 2.83Å; S450-C453 WeakPolarHBondContact O-CB 3.38Å; S450-C453 PolarHBondContact O-N 2.81Å; S450-C453 PolarHBondContact O-SG 2.77Å; S450-C453 PolarHBondContact OG-N 3.18Å; S450-C453 PolarHBondContact OG-SG 3.46Å; S450-C453 VanDerWaalsContact OG-SG 3.39Å
451	V	54.2	Low	65.4	Low	80 Å²	80	52.9 Å²	52.9	49%	0.485	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-18.3	170.8	-173.8	0	0	0	0	112	S400 P423	S400-V451 WeakPolarHBondContact OG-CG1 3.44Å; S400-V451 PolarHBondContact OG-O 2.98Å; P423-V451 HydrophobicContact CB-CG1 4.2Å; P423-V451 HydrophobicContact CB-CG2 4.39Å
452	S	56.8	Low	65.1	Low	61 Å²	61	53.4 Å²	53.4	43%	0.427	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.3	177.4	42.3	0	0	0	0	115.5	S400 S450	S400-S452 WeakPolarHBondContact OG-CA 3.38Å; S400-S452 PolarHBondContact OG-N 2.89Å; S400-S452 VanDerWaalsContact OG-N 3.11Å; S450-S452 WeakPolarHBondContact CB-OG 3.39Å; S450-S452 PolarHBondContact O-N 3.46Å; S450-S452 PolarHBondContact OG-N 3.02Å; S450-S452 PolarHBondContact OG-OG 2.83Å
453	C	64	Low	64.8	Low	23 Å²	23	49.9 Å²	49.9	16%	0.155	28%	0.275	C	S	.	.	S	Bend	trans	-65.2	148.4	175.9	-68.1	0	0	0	0	111.4	S401 Q449 S450	S401-C453 WeakPolarHBondContact CB-O 3.48Å; S401-C453 PolarHBondContact OG-O 3.13Å; Q449-C453 HydrophobicContact CB-CB 4.16Å; S450-C453 WeakPolarHBondContact O-CB 3.38Å; S450-C453 PolarHBondContact O-N 2.81Å; S450-C453 PolarHBondContact O-SG 2.77Å; S450-C453 PolarHBondContact OG-N 3.18Å; S450-C453 PolarHBondContact OG-SG 3.46Å; S450-C453 VanDerWaalsContact OG-SG 3.39Å
454	A	70.8	Confident	64.6	Low	8 Å²	8	49.7 Å²	49.7	7%	0.066	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-67.2	143.3	174.1	0	0	0	0	0	109.5	S401 I403	S401-A454 WeakPolarHBondContact OG-CA 3.5Å; I403-A454 HydrophobicContact CB-CB 4.37Å; I403-A454 HydrophobicContact CD1-CB 3.91Å
455	P	77.6	Confident	64.6	Low	10 Å²	10	48 Å²	48	7%	0.065	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.7	151.8	167.5	25.3	-30.3	0	0	0	110.2	I403 P420 L422	I403-P455 HydrophobicContact CG2-CG 4.24Å; I403-P455 VanDerWaalsContact O-CD 3.27Å; I403-P455 WeakPolarHBondContact O-CD 3.08Å; P420-P455 HydrophobicContact CB-CB 3.69Å; P420-P455 HydrophobicContact CG-CB 3.85Å; L422-P455 HydrophobicContact CD2-CB 4.05Å
456	P	78.7	Confident	64.6	Low	9 Å²	9	47.2 Å²	47.2	6%	0.058	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-59.3	144.7	172	27.1	-38	0	0	0	111.3	P420 L443 A479 L480 D481	P420-P456 HydrophobicContact CB-CG 4.1Å; P420-P456 HydrophobicContact CG-CG 4.17Å; P420-P456 WeakPolarHBondContact CG-O 3.37Å; L443-P456 HydrophobicContact CD1-CB 4.19Å; L443-P456 HydrophobicContact CD1-CG 3.88Å; P456-A479 HydrophobicContact CB-CB 4.31Å; P456-L480 CarbonylContact C-O 3.58Å; P456-L480 WeakPolarHBondContact CA-O 3.41Å; P456-L480 WeakPolarHBondContact CB-O 3.49Å; P456-D481 HydrophobicContact CB-CB 4.24Å
457	I	82	Confident	65.1	Low	33 Å²	33	41.9 Å²	41.9	17%	0.169	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.8	171.5	-62.4	160.4	0	0	0	108.1	I104 A107 A479 L480	I104-I457 HydrophobicContact CB-CD1 4.06Å; I104-I457 HydrophobicContact CG2-CD1 3.41Å; I104-I457 VanDerWaalsContact CG2-CD1 3.41Å; A107-I457 HydrophobicContact CB-CD1 4.48Å; A107-I457 HydrophobicContact CB-CG2 4.16Å; I457-A479 WeakPolarHBondContact O-CA 3.37Å; I457-L480 HydrophobicContact CB-CB 4.17Å; I457-L480 HydrophobicContact CB-CD1 4.35Å; I457-L480 HydrophobicContact CG2-CD1 4.34Å; I457-L480 PolarHBondContact N-O 3.33Å; I457-L480 PolarHBondContact O-N 3.37Å
458	I	84.3	Confident	65.5	Low	11 Å²	11	44.4 Å²	44.4	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.3	-177.4	-54.6	-172.4	0	0	0	110.2	V408 A418 P420 I427 L477 L478	V408-I458 HydrophobicContact CG2-CB 3.72Å; V408-I458 HydrophobicContact CG2-CG2 3.38Å; A418-I458 HydrophobicContact CB-CG2 4.26Å; P420-I458 HydrophobicContact CG-CD1 3.69Å; P420-I458 HydrophobicContact CG-CG1 4.01Å; I427-I458 HydrophobicContact CB-CD1 4.37Å; I427-I458 HydrophobicContact CD1-CD1 4.12Å; I427-I458 HydrophobicContact CD1-CG1 4.44Å; I427-I458 HydrophobicContact CG1-CD1 3.95Å; I427-I458 HydrophobicContact CG2-CD1 3.6Å; I458-L477 HydrophobicContact CG2-CD1 3.26Å; I458-L477 HydrophobicContact CG2-CG 4.01Å; I458-L478 CarbonylContact C-O 3.6Å; I458-L478 WeakPolarHBondContact CA-O 3.42Å
459	I	79.9	Confident	66.2	Low	19 Å²	19	41.6 Å²	41.6	10%	0.097	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.3	166.6	-60.4	143	0	0	0	107.5	V109 L116 R461 L478 L480	V109-I459 HydrophobicContact CG2-CD1 3.53Å; V109-I459 HydrophobicContact CG2-CG1 4.29Å; V109-I459 HydrophobicContact CG2-CG2 4.16Å; L116-I459 HydrophobicContact CD1-CD1 3.93Å; I459-R461 HydrophobicContact CG2-CG 4.25Å; I459-L478 HydrophobicContact CB-CB 4.17Å; I459-L478 HydrophobicContact CD1-CB 4.47Å; I459-L478 HydrophobicContact CD1-CD1 4.35Å; I459-L478 PolarHBondContact N-O 2.8Å; I459-L478 PolarHBondContact O-N 2.91Å; I459-L480 HydrophobicContact CD1-CD1 3.95Å
460	H	81.8	Confident	66.5	Low	10 Å²	10	44.6 Å²	44.6	5%	0.046	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.7	-177.3	-177.3	-167.9	0	0	0	109.9	V408 D410 P411 T416 A476 L477	V408-H460 HydrophobicContact CB-CB 4.26Å; V408-H460 HydrophobicContact CG2-CB 3.59Å; V408-H460 PolarHBondContact O-ND1 2.95Å; D410-H460 PolarHBondContact N-ND1 3.33Å; P411-H460 WeakPolarHBondContact CD-O 3.42Å; T416-H460 PolarHBondContact O-CE1 3.18Å; T416-H460 VanDerWaalsContact O-CE1 3.26Å; T416-H460 PolarHBondContact OG1-CE1 2.75Å; T416-H460 PolarHBondContact OG1-NE2 2.8Å; H460-A476 PolarHBondContact CD2-O 2.78Å; H460-L477 HydrophobicContact CB-CD1 3.74Å
461	R	73.2	Confident	66.9	Low	24 Å²	24	47 Å²	47	9%	0.091	26%	0.259	C	S	.	.			trans	-153.9	117.7	-178.6	-66	-172.3	-178.7	-165.6	-1	110.4	Y217 I459 W464 P475 A476	Y217-R461 PolarHBondContact OH-NH2 3.25Å; I459-R461 HydrophobicContact CG2-CG 4.25Å; R461-W464 HydrophobicContact CB-CZ2 4.12Å; R461-W464 PolarHBondContact O-NE1 3.14Å; R461-P475 VanDerWaalsContact O-O 3.07Å; R461-A476 CarbonylContact C-O 3.56Å; R461-A476 PolarHBondContact N-O 3.37Å; R461-A476 CarbonylContact O-C 3.4Å; R461-A476 WeakPolarHBondContact O-CA 3.14Å; R461-A476 VanDerWaalsContact O-O 3.09Å
462	T	68.9	Low	67.1	Low	49 Å²	49	45.7 Å²	45.7	30%	0.301	25%	0.253	S	S	.	.	S	Bend	trans	-82.8	-17.2	174.8	60.7	0	0	0	0	113.5	D410 L413	D410-T462 WeakPolarHBondContact OD2-CB 3.49Å; D410-T462 WeakPolarHBondContact OD2-CG2 3.37Å; D410-T462 PolarHBondContact OD2-OG1 2.62Å; L413-T462 HydrophobicContact CD1-CG2 3.67Å; L413-T462 WeakPolarHBondContact CD1-OG1 3.46Å; L413-T462 HydrophobicContact CG-CG2 4.5Å; L413-T462 VanDerWaalsContact CG-OG1 3.24Å; L413-T462 WeakPolarHBondContact CG-OG1 3.34Å
463	S	66	Low	67.2	Low	28 Å²	28	52.9 Å²	52.9	20%	0.196	28%	0.277	C	S	.	.			trans	-125.7	131.2	179.7	70	0	0	0	0	111.9	V412	V412-S463 VanDerWaalsContact CG2-OG 3.26Å; V412-S463 WeakPolarHBondContact CG2-OG 3.47Å
464	W	64.7	Low	67.1	Low	4 Å²	4	53 Å²	53	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.6	179.5	-64.8	81.1	0	0	0	108.6	V109 N113 W131 R461 V471 C472 P475 L478	V109-W464 HydrophobicContact CG1-CZ3 3.9Å; N113-W464 HydrophobicContact CB-CE3 3.93Å; N113-W464 VanDerWaalsContact ND2-C 3.28Å; N113-W464 WeakPolarHBondContact ND2-CA 3.27Å; N113-W464 WeakPolarHBondContact ND2-CB 3.13Å; N113-W464 VanDerWaalsContact ND2-CE3 3.34Å; W131-W464 HydrophobicContact CH2-CH2 4.43Å; W131-W464 HydrophobicContact CZ2-CD2 4.49Å; W131-W464 HydrophobicContact CZ2-CE3 4.08Å; W131-W464 HydrophobicContact CZ2-CH2 4.34Å; W131-W464 AromaticContact CZ2-CZ3 4Å; W131-W464 HydrophobicContact CZ2-CZ3 4Å; R461-W464 HydrophobicContact CB-CZ2 4.12Å; R461-W464 PolarHBondContact O-NE1 3.14Å; W464-V471 CarbonylContact O-C 3.44Å; W464-V471 WeakPolarHBondContact O-CA 3.1Å; W464-C472 PolarHBondContact N-O 2.85Å; W464-C472 PolarHBondContact O-N 2.99Å; W464-P475 VanDerWaalsContact CE2-O 3.31Å; W464-P475 HydrophobicContact CZ2-CG 4.07Å; W464-P475 WeakPolarHBondContact CZ2-O 3.27Å; W464-P475 PolarHBondContact NE1-O 3.34Å; W464-L478 HydrophobicContact CH2-CD1 3.59Å; W464-L478 HydrophobicContact CH2-CG 4.13Å; W464-L478 HydrophobicContact CZ2-CD1 4.27Å; W464-L478 HydrophobicContact CZ2-CG 4.33Å
465	N	59.6	Low	67	Low	28 Å²	28	53.2 Å²	53.2	15%	0.15	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	142.3	166.9	-63.5	-27.1	0	0	0	110.1	S111 N113 L470	S111-N465 VanDerWaalsContact O-O 3.14Å; N113-N465 WeakPolarHBondContact CB-O 3.47Å; N113-N465 PolarHBondContact ND2-N 2.84Å; N113-N465 PolarHBondContact ND2-O 2.95Å; N465-L470 CarbonylContact C-O 3.41Å; N465-L470 VanDerWaalsContact CA-O 3.24Å; N465-L470 WeakPolarHBondContact CA-O 3.11Å
466	N	55.5	Low	66.6	Low	43 Å²	43	53.7 Å²	53.7	23%	0.23	29%	0.287	C	S	.	.			trans	-80.7	-179.3	167.2	65.9	16.4	0	0	0	111.4	Y468 G469 L470	N466-Y468 PolarHBondContact O-N 2.89Å; N466-Y468 WeakPolarHBondContact OD1-CA 3.48Å; N466-Y468 WeakPolarHBondContact OD1-CB 3.14Å; N466-Y468 PolarHBondContact OD1-N 3.23Å; N466-G469 PolarHBondContact O-N 3.24Å; N466-G469 PolarHBondContact OD1-N 3.48Å; N466-L470 PolarHBondContact N-O 3.03Å; N466-L470 PolarHBondContact OD1-N 3.1Å; N466-L470 PolarHBondContact OD1-O 3.48Å
467	Q	53.5	Low	66.4	Low	116 Å²	116	53.3 Å²	53.3	54%	0.542	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.7	175.5	68.2	-173.7	2.5	0	0	115	N112	N112-Q467 HydrophobicContact CB-CB 4.42Å
468	Y	56.3	Low	66.1	Low	178 Å²	178	52.1 Å²	52.1	70%	0.698	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	2.1	176.7	-52.9	-72.5	0	0	0	112.8	N466 L470	N466-Y468 PolarHBondContact O-N 2.89Å; N466-Y468 WeakPolarHBondContact OD1-CA 3.48Å; N466-Y468 WeakPolarHBondContact OD1-CB 3.14Å; N466-Y468 PolarHBondContact OD1-N 3.23Å; Y468-L470 VanDerWaalsContact C-N 3.31Å
469	G	57.9	Low	65.8	Low	37 Å²	37	51.6 Å²	51.6	38%	0.381	28%	0.276	S	S	.	.	S	Bend	trans	78.5	9	-177.3	0	0	0	0	0	114.7	N466	N466-G469 PolarHBondContact O-N 3.24Å; N466-G469 PolarHBondContact OD1-N 3.48Å
470	L	57.2	Low	65.6	Low	110 Å²	110	50.9 Å²	50.9	58%	0.576	27%	0.273	S	S	*	.			trans	-85.7	140.7	178.4	-62	169.9	0	0	0	110.8	N465 N466 Y468 C472	N465-L470 CarbonylContact C-O 3.41Å; N465-L470 VanDerWaalsContact CA-O 3.24Å; N465-L470 WeakPolarHBondContact CA-O 3.11Å; N466-L470 PolarHBondContact N-O 3.03Å; N466-L470 PolarHBondContact OD1-N 3.1Å; N466-L470 PolarHBondContact OD1-O 3.48Å; Y468-L470 VanDerWaalsContact C-N 3.31Å; L470-C472 PolarHBondContact O-N 3.42Å
471	V	62.2	Low	65.2	Low	105 Å²	105	50.7 Å²	50.7	64%	0.636	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.2	178	-175.6	0	0	0	0	110.4	W464	W464-V471 CarbonylContact O-C 3.44Å; W464-V471 WeakPolarHBondContact O-CA 3.1Å
472	C	57.6	Low	65	Low	53 Å²	53	52.2 Å²	52.2	36%	0.358	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156.5	177	-62.8	0	0	0	0	110.2	W464 L470	W464-C472 PolarHBondContact N-O 2.85Å; W464-C472 PolarHBondContact O-N 2.99Å; L470-C472 PolarHBondContact O-N 3.42Å
473	K	60.1	Low	64.7	Low	212 Å²	212	56.2 Å²	56.2	92%	0.922	30%	0.301	S	S	*	.			trans	-75.7	125.3	169.5	-67	-174.5	178.2	-176	0	108.8
474	G	61.6	Low	64.7	Low	25 Å²	25	58.6 Å²	58.6	26%	0.258	31%	0.306	S	S	.	.			trans	-136.5	-175.5	169	0	0	0	0	0	108.7
475	P	67.9	Low	64.9	Low	13 Å²	13	58.9 Å²	58.9	8%	0.084	31%	0.309	C	S	.	.			trans	-66	137.1	179.4	27.9	-33.2	0	0	0	110.9	W131 R461 W464 L477 L478 C487 F488	W131-P475 HydrophobicContact CE3-CG 4.43Å; W131-P475 HydrophobicContact CH2-CG 3.4Å; W131-P475 VanDerWaalsContact CH2-CG 3.4Å; W131-P475 HydrophobicContact CZ2-CG 4.25Å; W131-P475 HydrophobicContact CZ3-CG 3.52Å; R461-P475 VanDerWaalsContact O-O 3.07Å; W464-P475 VanDerWaalsContact CE2-O 3.31Å; W464-P475 HydrophobicContact CZ2-CG 4.07Å; W464-P475 WeakPolarHBondContact CZ2-O 3.27Å; W464-P475 PolarHBondContact NE1-O 3.34Å; P475-L477 PolarHBondContact O-N 3.44Å; P475-L478 HydrophobicContact CB-CD2 4.24Å; P475-L478 HydrophobicContact CG-CD2 3.51Å; P475-L478 HydrophobicContact CG-CG 4.17Å; P475-C487 HydrophobicContact CB-CB 3.78Å; P475-C487 HydrophobicContact CG-CB 4.15Å; P475-F488 CarbonylContact C-O 3.47Å
476	A	70.3	Confident	65.4	Low	20 Å²	20	57.9 Å²	57.9	17%	0.165	30%	0.303	C	S	.	.	S	Bend	trans	-60.8	-33.8	173.7	0	0	0	0	0	111.4	H460 R461 F488 S489	H460-A476 PolarHBondContact CD2-O 2.78Å; R461-A476 CarbonylContact C-O 3.56Å; R461-A476 PolarHBondContact N-O 3.37Å; R461-A476 CarbonylContact O-C 3.4Å; R461-A476 WeakPolarHBondContact O-CA 3.14Å; R461-A476 VanDerWaalsContact O-O 3.09Å; A476-F488 PolarHBondContact N-O 3.06Å; A476-S489 VanDerWaalsContact CB-OXT 3.28Å; A476-S489 WeakPolarHBondContact CB-OXT 3.42Å
477	L	74.7	Confident	66	Low	2 Å²	2	55.9 Å²	55.9	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.8	-175.1	-168.5	74.7	0	0	0	111.6	A418 I427 I429 Y441 I458 H460 P475 C487 F488	A418-L477 HydrophobicContact CB-CD1 3.63Å; A418-L477 HydrophobicContact CB-CD2 4.49Å; I427-L477 HydrophobicContact CD1-CD2 4.19Å; I427-L477 HydrophobicContact CG2-CD2 3.77Å; I429-L477 HydrophobicContact CD1-CD2 4.11Å; Y441-L477 HydrophobicContact CD2-CD2 4.4Å; I458-L477 HydrophobicContact CG2-CD1 3.26Å; I458-L477 HydrophobicContact CG2-CG 4.01Å; H460-L477 HydrophobicContact CB-CD1 3.74Å; P475-L477 PolarHBondContact O-N 3.44Å; L477-C487 CarbonylContact O-C 3.58Å; L477-C487 WeakPolarHBondContact O-CA 3.46Å; L477-F488 HydrophobicContact CB-CB 4.08Å; L477-F488 HydrophobicContact CB-CD2 4.02Å; L477-F488 HydrophobicContact CB-CG 4.49Å; L477-F488 HydrophobicContact CD2-CD2 3.69Å; L477-F488 HydrophobicContact CD2-CE2 4.24Å; L477-F488 HydrophobicContact CD2-CG 4.32Å; L477-F488 HydrophobicContact CG-CD2 4.09Å; L477-F488 PolarHBondContact N-O 2.83Å; L477-F488 PolarHBondContact O-N 3.19Å
478	L	75	Confident	66.7	Low	7 Å²	7	50.6 Å²	50.6	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.7	165.1	-61.2	179.6	0	0	0	110.2	W131 I458 I459 W464 P475 V485 Y486 C487	W131-L478 HydrophobicContact CH2-CD1 4.43Å; W131-L478 HydrophobicContact CH2-CD2 4.11Å; W131-L478 HydrophobicContact CZ3-CD2 4.39Å; I458-L478 CarbonylContact C-O 3.6Å; I458-L478 WeakPolarHBondContact CA-O 3.42Å; I459-L478 HydrophobicContact CB-CB 4.17Å; I459-L478 HydrophobicContact CD1-CB 4.47Å; I459-L478 HydrophobicContact CD1-CD1 4.35Å; I459-L478 PolarHBondContact N-O 2.8Å; I459-L478 PolarHBondContact O-N 2.91Å; W464-L478 HydrophobicContact CH2-CD1 3.59Å; W464-L478 HydrophobicContact CH2-CG 4.13Å; W464-L478 HydrophobicContact CZ2-CD1 4.27Å; W464-L478 HydrophobicContact CZ2-CG 4.33Å; P475-L478 HydrophobicContact CB-CD2 4.24Å; P475-L478 HydrophobicContact CG-CD2 3.51Å; P475-L478 HydrophobicContact CG-CG 4.17Å; L478-V485 HydrophobicContact CD2-CG1 4.09Å; L478-Y486 CarbonylContact C-O 3.09Å; L478-Y486 VanDerWaalsContact CA-O 3.3Å; L478-Y486 WeakPolarHBondContact CA-O 3.2Å; L478-C487 HydrophobicContact CD2-CB 4.09Å; L478-C487 WeakPolarHBondContact CD2-SG 3.17Å
479	A	78	Confident	67.1	Low	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.1	168.9	0	0	0	0	0	110.5	I427 P456 I457 V485 Y486 F488	I427-A479 HydrophobicContact CD1-CB 3.35Å; P456-A479 HydrophobicContact CB-CB 4.31Å; I457-A479 WeakPolarHBondContact O-CA 3.37Å; A479-V485 CarbonylContact O-C 3.44Å; A479-V485 WeakPolarHBondContact O-CA 3.38Å; A479-Y486 HydrophobicContact CB-CD2 4.49Å; A479-Y486 PolarHBondContact N-O 3.42Å; A479-Y486 PolarHBondContact O-N 3.21Å; A479-F488 HydrophobicContact CB-CE2 4.22Å
480	L	76.3	Confident	67.6	Low	5 Å²	5	48.2 Å²	48.2	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.6	176.5	-68.6	155.5	0	0	0	108.8	I104 A107 L116 L146 P456 I457 I459 Y484 V485	I104-L480 HydrophobicContact CD1-CD2 4.42Å; A107-L480 HydrophobicContact CB-CD1 3.3Å; L116-L480 HydrophobicContact CD1-CD1 4.2Å; L116-L480 HydrophobicContact CD2-CD1 3.95Å; L116-L480 HydrophobicContact CD2-CD2 3.46Å; L116-L480 VanDerWaalsContact CD2-CD2 3.46Å; L116-L480 HydrophobicContact CD2-CG 4.29Å; L146-L480 HydrophobicContact CD1-CD2 4.35Å; P456-L480 CarbonylContact C-O 3.58Å; P456-L480 WeakPolarHBondContact CA-O 3.41Å; P456-L480 WeakPolarHBondContact CB-O 3.49Å; I457-L480 HydrophobicContact CB-CB 4.17Å; I457-L480 HydrophobicContact CB-CD1 4.35Å; I457-L480 HydrophobicContact CG2-CD1 4.34Å; I457-L480 PolarHBondContact N-O 3.33Å; I457-L480 PolarHBondContact O-N 3.37Å; I459-L480 HydrophobicContact CD1-CD1 3.95Å; L480-Y484 WeakPolarHBondContact CA-O 3.4Å; L480-V485 HydrophobicContact CD2-CG2 3.49Å; L480-V485 VanDerWaalsContact CD2-CG2 3.49Å
481	D	73	Confident	68.1	Low	5 Å²	5	44.9 Å²	44.9	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	109.5	177.7	-172.1	27.8	0	0	0	109.6	Q449 P456 D483 Y484 Y486	Q449-D481 PolarHBondContact NE2-OD2 2.89Å; Q449-D481 VanDerWaalsContact NE2-OD2 3.11Å; P456-D481 HydrophobicContact CB-CB 4.24Å; D481-D483 PolarHBondContact O-N 3.11Å; D481-Y484 PolarHBondContact N-O 2.75Å; D481-Y484 PolarHBondContact O-N 2.76Å; D481-Y486 HydrophobicContact CB-CE2 3.94Å
482	D	69.5	Low	68.5	Low	56 Å²	56	41.6 Å²	41.6	30%	0.299	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	-99.1	-171.8	-68.2	-34.6	0	0	0	112.5	I104	I104-D482 WeakPolarHBondContact CD1-O 3.47Å
483	D	61.6	Low	69.1	Low	134 Å²	134	40.9 Å²	40.9	72%	0.717	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	1.7	-178.7	-62.9	-45	0	0	0	114	D481	D481-D483 PolarHBondContact O-N 3.11Å
484	Y	65.9	Low	69.7	Low	77 Å²	77	30.3 Å²	30.3	30%	0.302	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146	-171.2	-59.9	-86.6	0	0	0	113.2	R143 H445 L480 D481	R143-Y484 VanDerWaalsContact NH2-CE1 3.34Å; H445-Y484 AromaticContact CD2-CE2 3.8Å; H445-Y484 AromaticContact CD2-CZ 3.94Å; H445-Y484 AromaticContact NE2-CE1 3.96Å; H445-Y484 AromaticContact NE2-CE2 3.51Å; H445-Y484 AromaticContact NE2-CZ 3.33Å; H445-Y484 VanDerWaalsContact NE2-CZ 3.33Å; H445-Y484 PolarHBondContact NE2-OH 3.16Å; L480-Y484 WeakPolarHBondContact CA-O 3.4Å; D481-Y484 PolarHBondContact N-O 2.75Å; D481-Y484 PolarHBondContact O-N 2.76Å
485	V	69	Low	70.2	Confident	10 Å²	10	30.6 Å²	30.6	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.8	167.7	-177.8	0	0	0	0	110.2	L146 L478 A479 L480	L146-V485 HydrophobicContact CD1-CG2 3.35Å; L146-V485 HydrophobicContact CD2-CG2 3.59Å; L146-V485 HydrophobicContact CG-CB 4.41Å; L146-V485 HydrophobicContact CG-CG2 3.38Å; L478-V485 HydrophobicContact CD2-CG1 4.09Å; A479-V485 CarbonylContact O-C 3.44Å; A479-V485 WeakPolarHBondContact O-CA 3.38Å; L480-V485 HydrophobicContact CD2-CG2 3.49Å; L480-V485 VanDerWaalsContact CD2-CG2 3.49Å
486	Y	70.1	Confident	70.4	Confident	7 Å²	7	31.9 Å²	31.9	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.5	170.6	-54.8	-91.3	0	0	0	109.4	L137 L443 L478 A479 D481	L137-Y486 HydrophobicContact CD1-CD1 4.23Å; L137-Y486 HydrophobicContact CD1-CE1 4.47Å; L443-Y486 HydrophobicContact CD1-CE2 4.42Å; L443-Y486 HydrophobicContact CD2-CD1 4.1Å; L443-Y486 HydrophobicContact CD2-CD2 3.71Å; L443-Y486 HydrophobicContact CD2-CE1 4.46Å; L443-Y486 HydrophobicContact CD2-CE2 4.09Å; L443-Y486 HydrophobicContact CD2-CG 3.7Å; L478-Y486 CarbonylContact C-O 3.09Å; L478-Y486 VanDerWaalsContact CA-O 3.3Å; L478-Y486 WeakPolarHBondContact CA-O 3.2Å; A479-Y486 HydrophobicContact CB-CD2 4.49Å; A479-Y486 PolarHBondContact N-O 3.42Å; A479-Y486 PolarHBondContact O-N 3.21Å; D481-Y486 HydrophobicContact CB-CE2 3.94Å
487	C	67.8	Low	70.4	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.7	177.3	-61.1	0	0	0	0	109.4	T142 F144 P475 L477 L478	T142-C487 PolarHBondContact N-O 2.91Å; T142-C487 VanDerWaalsContact N-O 3.12Å; T142-C487 WeakPolarHBondContact O-CB 3.44Å; T142-C487 PolarHBondContact O-N 3.26Å; T142-C487 VanDerWaalsContact O-N 3.11Å; F144-C487 HydrophobicContact CD2-CB 4.04Å; F144-C487 WeakPolarHBondContact CD2-SG 3.4Å; F144-C487 HydrophobicContact CE2-CB 3.81Å; F144-C487 VanDerWaalsContact CE2-SG 3.52Å; P475-C487 HydrophobicContact CB-CB 3.78Å; P475-C487 HydrophobicContact CG-CB 4.15Å; L477-C487 CarbonylContact O-C 3.58Å; L477-C487 WeakPolarHBondContact O-CA 3.46Å; L478-C487 HydrophobicContact CD2-CB 4.09Å; L478-C487 WeakPolarHBondContact CD2-SG 3.17Å
488	F	69.4	Low	70	Confident	5 Å²	5	35.3 Å²	35.3	2%	0.022	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.4	176.4	-46.6	-92.5	0	0	0	108.3	I427 Y441 L443 P475 A476 L477 A479	I427-F488 HydrophobicContact CD1-CE2 3.91Å; I427-F488 HydrophobicContact CD1-CZ 4.32Å; Y441-F488 VanDerWaalsContact CB-CE1 3.48Å; Y441-F488 AromaticContact CD1-CD1 3.57Å; Y441-F488 HydrophobicContact CD1-CD1 3.57Å; Y441-F488 AromaticContact CD1-CE1 3.9Å; Y441-F488 HydrophobicContact CD1-CE1 3.9Å; Y441-F488 HydrophobicContact CD1-CG 4.49Å; Y441-F488 HydrophobicContact CD2-CB 4.28Å; Y441-F488 AromaticContact CD2-CD1 3.66Å; Y441-F488 HydrophobicContact CD2-CD1 3.66Å; Y441-F488 HydrophobicContact CD2-CD2 4.47Å; Y441-F488 HydrophobicContact CD2-CE1 4.09Å; Y441-F488 AromaticContact CD2-CG 3.87Å; Y441-F488 HydrophobicContact CD2-CG 3.87Å; Y441-F488 HydrophobicContact CE1-CD1 4.01Å; Y441-F488 HydrophobicContact CE2-CB 3.93Å; Y441-F488 HydrophobicContact CE2-CD1 4.03Å; Y441-F488 HydrophobicContact CE2-CG 4.04Å; Y441-F488 AromaticContact CG-CD1 3.41Å; Y441-F488 HydrophobicContact CG-CD1 3.41Å; Y441-F488 VanDerWaalsContact CG-CD1 3.41Å; Y441-F488 AromaticContact CG-CE1 3.55Å; Y441-F488 HydrophobicContact CG-CE1 3.55Å; Y441-F488 HydrophobicContact CG-CG 4.12Å; Y441-F488 HydrophobicContact CG-CZ 4.33Å; L443-F488 HydrophobicContact CD2-CE2 4.48Å; L443-F488 HydrophobicContact CD2-CZ 3.85Å; P475-F488 CarbonylContact C-O 3.47Å; A476-F488 PolarHBondContact N-O 3.06Å; L477-F488 HydrophobicContact CB-CB 4.08Å; L477-F488 HydrophobicContact CB-CD2 4.02Å; L477-F488 HydrophobicContact CB-CG 4.49Å; L477-F488 HydrophobicContact CD2-CD2 3.69Å; L477-F488 HydrophobicContact CD2-CE2 4.24Å; L477-F488 HydrophobicContact CD2-CG 4.32Å; L477-F488 HydrophobicContact CG-CD2 4.09Å; L477-F488 PolarHBondContact N-O 2.83Å; L477-F488 PolarHBondContact O-N 3.19Å; A479-F488 HydrophobicContact CB-CE2 4.22Å
489	S	65	Low	69.6	Low	117 Å²	117	37.9 Å²	37.9	82%	0.818	21%	0.21	S	C	*	.			trans	-79.9	0	-177.3	59	0	0	0	0	112.9	A476	A476-S489 VanDerWaalsContact CB-OXT 3.28Å; A476-S489 WeakPolarHBondContact CB-OXT 3.42Å

Retrieved 489 of 489 residues in 979.6 ms (Link to these results)

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