A0A077ZMZ9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZMZ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 400 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	27.7	Very low	28.8	Very low	183 Å²	183	111.5 Å²	111.5	90%	0.901	53%	0.526	S	S	*	.				0	117.5	0	-161	174.6	-88.5	0	0	105	F3	M1-F3 PolarHBondContact O-N 2.99Å
2	R	22.5	Very low	29.2	Very low	220 Å²	220	110.2 Å²	110.2	83%	0.83	51%	0.513	S	S	*	.			trans	-53.6	120.5	159.8	-81.4	177.5	172.1	168.4	-3.2	104.7
3	F	27.4	Very low	29.6	Very low	112 Å²	112	108.8 Å²	108.8	49%	0.491	51%	0.51	S	S	.	.			trans	-62	135.8	169.1	-75.5	-81.2	0	0	0	107	M1 L5 F198 T199	M1-F3 PolarHBondContact O-N 2.99Å; F3-L5 PolarHBondContact O-N 3.48Å; F3-F198 WeakPolarHBondContact CE1-O 3.34Å; F3-F198 VanDerWaalsContact CZ-O 3.24Å; F3-F198 WeakPolarHBondContact CZ-O 3.29Å; F3-T199 HydrophobicContact CE1-CG2 4.09Å; F3-T199 HydrophobicContact CZ-CG2 3.63Å
4	P	28.5	Very low	29.8	Very low	75 Å²	75	106.3 Å²	106.3	49%	0.487	52%	0.517	S	S	.	.			trans	-67.8	95.6	168.4	24.9	-22.1	0	0	0	106.1	E6 K7	P4-E6 PolarHBondContact O-N 3.12Å; P4-K7 PolarHBondContact O-N 2.81Å
5	L	25.5	Very low	30.1	Very low	57 Å²	57	103.1 Å²	103.1	30%	0.298	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-30.5	170.2	-138.9	84.2	0	0	0	112.3	F3 K7 I8 L9 M64 W67	F3-L5 PolarHBondContact O-N 3.48Å; L5-K7 PolarHBondContact O-N 3Å; L5-I8 PolarHBondContact O-N 2.87Å; L5-L9 HydrophobicContact CD2-CD1 4.49Å; L5-M64 HydrophobicContact CD1-CE 3.72Å; L5-M64 HydrophobicContact CD2-CE 3.18Å; L5-M64 HydrophobicContact CG-CE 3.22Å; L5-W67 HydrophobicContact CD1-CZ3 4.06Å; L5-W67 HydrophobicContact CD2-CE3 3.58Å; L5-W67 HydrophobicContact CD2-CZ3 3.52Å; L5-W67 HydrophobicContact CG-CZ3 4.45Å
6	E	25.9	Very low	30.4	Very low	121 Å²	121	100.3 Å²	100.3	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-53.6	-32.5	179.6	-68.2	169.1	158	0	0	113.6	P4 D10	P4-E6 PolarHBondContact O-N 3.12Å; E6-D10 PolarHBondContact O-N 2.87Å
7	K	29.3	Very low	30.9	Very low	151 Å²	151	98.6 Å²	98.6	66%	0.657	51%	0.506	S	S	*	.	H	α-helix	trans	-81.9	-21.3	-176.8	-76.4	-166.8	173.8	-168.7	0	115.7	P4 L5 H11	P4-K7 PolarHBondContact O-N 2.81Å; L5-K7 PolarHBondContact O-N 3Å; K7-H11 PolarHBondContact O-ND1 2.51Å
8	I	31.1	Very low	31.7	Very low	93 Å²	93	96.1 Å²	96.1	48%	0.477	51%	0.508	S	S	.	.	H	α-helix	trans	-84.2	-36.8	179	-63.5	175.5	0	0	0	109.8	L5 H11 Y12	L5-I8 PolarHBondContact O-N 2.87Å; I8-H11 PolarHBondContact O-N 3.01Å; I8-H11 VanDerWaalsContact O-N 3.16Å; I8-Y12 PolarHBondContact O-N 3.38Å
9	L	30.1	Very low	32.7	Very low	46 Å²	46	97.9 Å²	97.9	24%	0.241	52%	0.518	C	S	.	.	H	α-helix	trans	-63.6	-41.1	175.9	-73.7	161.5	0	0	0	112.2	L5 H11 Y12 M64 D68	L5-L9 HydrophobicContact CD2-CD1 4.49Å; L9-H11 PolarHBondContact O-N 3.16Å; L9-Y12 PolarHBondContact O-N 2.88Å; L9-M64 HydrophobicContact CD1-CE 4.37Å; L9-M64 HydrophobicContact CG-CE 4.44Å; L9-D68 WeakPolarHBondContact CD1-OD2 3.43Å
10	D	33.7	Very low	33.8	Very low	78 Å²	78	96.4 Å²	96.4	42%	0.417	51%	0.51	S	S	.	.	H	α-helix	trans	-60.7	-29.3	175	-80.2	-16.7	0	0	0	112.7	E6 A14	E6-D10 PolarHBondContact O-N 2.87Å; D10-A14 WeakPolarHBondContact O-CB 3.43Å; D10-A14 PolarHBondContact O-N 3.36Å
11	H	35.1	Very low	35.1	Very low	91 Å²	91	92.5 Å²	92.5	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-79.2	-36.3	179.2	-81.9	76.7	0	0	0	112.6	K7 I8 L9 I13 A14 A15	K7-H11 PolarHBondContact O-ND1 2.51Å; I8-H11 PolarHBondContact O-N 3.01Å; I8-H11 VanDerWaalsContact O-N 3.16Å; L9-H11 PolarHBondContact O-N 3.16Å; H11-I13 PolarHBondContact O-N 3.33Å; H11-A14 PolarHBondContact O-N 3.35Å; H11-A15 VanDerWaalsContact O-CA 3.3Å; H11-A15 WeakPolarHBondContact O-CA 3.35Å; H11-A15 WeakPolarHBondContact O-CB 3.35Å; H11-A15 PolarHBondContact O-N 2.9Å
12	Y	34.1	Very low	36.7	Very low	95 Å²	95	85.6 Å²	85.6	37%	0.373	46%	0.458	S	S	.	.	H	α-helix	trans	-70.8	-33.8	-177.6	-93.6	-95.4	0	0	0	113.8	I8 L9 E61 I62	I8-Y12 PolarHBondContact O-N 3.38Å; L9-Y12 PolarHBondContact O-N 2.88Å; Y12-E61 HydrophobicContact CE2-CB 4.3Å; Y12-E61 WeakPolarHBondContact CE2-OE2 3.5Å; Y12-E61 PolarHBondContact OH-OE2 2.82Å; Y12-E61 VanDerWaalsContact OH-OE2 3.13Å; Y12-I62 HydrophobicContact CD1-CD1 4.39Å; Y12-I62 HydrophobicContact CD1-CG1 4.31Å
13	I	33.6	Very low	38.8	Very low	92 Å²	92	79.4 Å²	79.4	47%	0.472	45%	0.454	S	S	.	.	H	α-helix	trans	-79.6	-30.9	176.3	-60.4	176.8	0	0	0	110.9	H11	H11-I13 PolarHBondContact O-N 3.33Å
14	A	32.8	Very low	40.8	Very low	74 Å²	74	74.7 Å²	74.7	61%	0.612	44%	0.437	S	S	*	.	H	α-helix	trans	-93.4	-21.8	-179.1	0	0	0	0	0	115.4	D10 H11 G16	D10-A14 WeakPolarHBondContact O-CB 3.43Å; D10-A14 PolarHBondContact O-N 3.36Å; H11-A14 PolarHBondContact O-N 3.35Å; A14-G16 VanDerWaalsContact C-N 3.28Å; A14-G16 PolarHBondContact O-N 3.5Å; A14-G16 VanDerWaalsContact O-N 3.11Å
15	A	33.8	Very low	42.8	Very low	58 Å²	58	71.4 Å²	71.4	48%	0.479	42%	0.415	S	S	.	.	S	Bend	trans	-84.6	24.4	-165.2	0	0	0	0	0	116.1	H11	H11-A15 VanDerWaalsContact O-CA 3.3Å; H11-A15 WeakPolarHBondContact O-CA 3.35Å; H11-A15 WeakPolarHBondContact O-CB 3.35Å; H11-A15 PolarHBondContact O-N 2.9Å
16	G	35.8	Very low	45	Very low	59 Å²	59	74.5 Å²	74.5	61%	0.608	43%	0.426	S	S	*	.	S	Bend	trans	119.1	31.1	152.9	0	0	0	0	0	117.2	A14	A14-G16 VanDerWaalsContact C-N 3.28Å; A14-G16 PolarHBondContact O-N 3.5Å; A14-G16 VanDerWaalsContact O-N 3.11Å
17	W	38.3	Very low	47.2	Very low	72 Å²	72	69.2 Å²	69.2	27%	0.273	40%	0.403	S	S	.	.			trans	-80.8	-9.1	169.7	-68.1	37	0	0	0	111.3	L21 P22 F25 L59 L126	W17-L21 HydrophobicContact CE3-CB 4.34Å; W17-L21 HydrophobicContact CE3-CD2 3.47Å; W17-L21 VanDerWaalsContact CE3-CD2 3.47Å; W17-L21 HydrophobicContact CZ3-CD2 3.86Å; W17-P22 HydrophobicContact CD2-CG 4.22Å; W17-P22 HydrophobicContact CE3-CG 3.7Å; W17-P22 HydrophobicContact CH2-CG 4.01Å; W17-P22 HydrophobicContact CZ3-CG 3.58Å; W17-F25 AromaticContact CH2-CD2 3.39Å; W17-F25 HydrophobicContact CH2-CD2 3.39Å; W17-F25 AromaticContact CH2-CE2 3.74Å; W17-F25 HydrophobicContact CH2-CE2 3.74Å; W17-F25 HydrophobicContact CH2-CG 4.3Å; W17-F25 HydrophobicContact CZ3-CB 4.07Å; W17-F25 AromaticContact CZ3-CD2 3.26Å; W17-F25 HydrophobicContact CZ3-CD2 3.26Å; W17-F25 AromaticContact CZ3-CE2 3.66Å; W17-F25 HydrophobicContact CZ3-CE2 3.66Å; W17-F25 AromaticContact CZ3-CG 3.79Å; W17-F25 HydrophobicContact CZ3-CG 3.79Å; W17-L59 HydrophobicContact CH2-CD1 4.14Å; W17-L126 HydrophobicContact CB-CD1 4.22Å
18	G	45.1	Very low	49.3	Very low	52 Å²	52	64.1 Å²	64.1	54%	0.536	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-153.4	-179.2	0	0	0	0	0	111	N20	G18-N20 VanDerWaalsContact C-N 3.27Å; G18-N20 PolarHBondContact O-N 2.81Å
19	N	50.4	Low	51.2	Low	131 Å²	131	61.6 Å²	61.6	70%	0.701	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.5	-178.1	-71.1	-9.8	0	0	0	113.2	Q125 L126	N19-Q125 VanDerWaalsContact O-CA 3.3Å; N19-Q125 WeakPolarHBondContact O-CA 3.45Å; N19-L126 PolarHBondContact O-N 3.09Å
20	N	55.3	Low	53.2	Low	68 Å²	68	64 Å²	64	36%	0.364	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-130.3	158.8	-172.4	-63	-18.2	0	0	0	111.5	G18 E122 I124	G18-N20 VanDerWaalsContact C-N 3.27Å; G18-N20 PolarHBondContact O-N 2.81Å; N20-E122 PolarHBondContact ND2-O 2.98Å; N20-I124 WeakPolarHBondContact CA-O 3.46Å
21	L	61	Low	54.9	Low	14 Å²	14	65.4 Å²	65.4	7%	0.073	39%	0.39	C	S	.	.			trans	-75.9	147.2	168.5	-57.8	171.5	0	0	0	109.8	W17 F25 F118 P121 I124 L126	W17-L21 HydrophobicContact CE3-CB 4.34Å; W17-L21 HydrophobicContact CE3-CD2 3.47Å; W17-L21 VanDerWaalsContact CE3-CD2 3.47Å; W17-L21 HydrophobicContact CZ3-CD2 3.86Å; L21-F25 HydrophobicContact CB-CB 4.34Å; L21-F25 HydrophobicContact CB-CD1 4.36Å; L21-F25 HydrophobicContact CB-CG 4.46Å; L21-F25 HydrophobicContact CD1-CD1 3.67Å; L21-F25 HydrophobicContact CD1-CE1 3.73Å; L21-F25 HydrophobicContact CD1-CG 4.46Å; L21-F25 HydrophobicContact CG-CD1 4.47Å; L21-F118 HydrophobicContact CD1-CD1 3.65Å; L21-F118 HydrophobicContact CD1-CE1 3.74Å; L21-P121 HydrophobicContact CB-CB 3.62Å; L21-P121 WeakPolarHBondContact CB-O 3.43Å; L21-P121 HydrophobicContact CD1-CB 4.4Å; L21-P121 PolarHBondContact N-O 3.38Å; L21-I124 HydrophobicContact CD1-CB 3.94Å; L21-I124 HydrophobicContact CD1-CD1 3.7Å; L21-I124 HydrophobicContact CD1-CG1 4.38Å; L21-I124 HydrophobicContact CD1-CG2 3.9Å; L21-I124 HydrophobicContact CG-CB 4.28Å; L21-I124 HydrophobicContact CG-CG2 4.27Å; L21-L126 HydrophobicContact CD2-CD1 3.95Å; L21-L126 HydrophobicContact CD2-CD2 4.33Å; L21-L126 HydrophobicContact CD2-CG 4.27Å
22	P	61.8	Low	56.4	Low	39 Å²	39	65.9 Å²	65.9	25%	0.253	40%	0.395	S	S	.	.			trans	-71.1	150.9	177.2	32.5	-35.1	0	0	0	110.8	W17 G24 F25 Y54	W17-P22 HydrophobicContact CD2-CG 4.22Å; W17-P22 HydrophobicContact CE3-CG 3.7Å; W17-P22 HydrophobicContact CH2-CG 4.01Å; W17-P22 HydrophobicContact CZ3-CG 3.58Å; P22-G24 PolarHBondContact O-N 2.77Å; P22-G24 VanDerWaalsContact O-N 3.09Å; P22-F25 HydrophobicContact CG-CB 4.3Å; P22-F25 WeakPolarHBondContact O-CB 2.92Å; P22-F25 PolarHBondContact O-N 2.56Å; P22-Y54 HydrophobicContact CB-CD2 4.47Å; P22-Y54 HydrophobicContact CB-CE2 3.73Å; P22-Y54 HydrophobicContact CG-CD2 3.78Å; P22-Y54 HydrophobicContact CG-CE2 3.49Å; P22-Y54 VanDerWaalsContact CG-CE2 3.49Å
23	A	65.9	Low	57.8	Low	89 Å²	89	62.4 Å²	62.4	74%	0.736	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.7	-173.5	0	0	0	0	0	114.8	F25	A23-F25 PolarHBondContact O-N 3.16Å
24	G	70.1	Confident	59	Low	13 Å²	13	61.2 Å²	61.2	13%	0.134	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-9	175.6	0	0	0	0	0	114.2	P22 Y54 D55	P22-G24 PolarHBondContact O-N 2.77Å; P22-G24 VanDerWaalsContact O-N 3.09Å; G24-Y54 WeakPolarHBondContact O-CA 3.36Å; G24-D55 VanDerWaalsContact CA-OD1 3.26Å; G24-D55 WeakPolarHBondContact CA-OD1 3.19Å; G24-D55 PolarHBondContact O-N 2.93Å
25	F	70.7	Confident	60.1	Low	6 Å²	6	64 Å²	64	3%	0.026	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.3	-178.4	-171.4	-100.5	0	0	0	111.9	W17 L21 P22 A23 F52 E53 L59 I62 F118 P121	W17-F25 AromaticContact CH2-CD2 3.39Å; W17-F25 HydrophobicContact CH2-CD2 3.39Å; W17-F25 AromaticContact CH2-CE2 3.74Å; W17-F25 HydrophobicContact CH2-CE2 3.74Å; W17-F25 HydrophobicContact CH2-CG 4.3Å; W17-F25 HydrophobicContact CZ3-CB 4.07Å; W17-F25 AromaticContact CZ3-CD2 3.26Å; W17-F25 HydrophobicContact CZ3-CD2 3.26Å; W17-F25 AromaticContact CZ3-CE2 3.66Å; W17-F25 HydrophobicContact CZ3-CE2 3.66Å; W17-F25 AromaticContact CZ3-CG 3.79Å; W17-F25 HydrophobicContact CZ3-CG 3.79Å; L21-F25 HydrophobicContact CB-CB 4.34Å; L21-F25 HydrophobicContact CB-CD1 4.36Å; L21-F25 HydrophobicContact CB-CG 4.46Å; L21-F25 HydrophobicContact CD1-CD1 3.67Å; L21-F25 HydrophobicContact CD1-CE1 3.73Å; L21-F25 HydrophobicContact CD1-CG 4.46Å; L21-F25 HydrophobicContact CG-CD1 4.47Å; P22-F25 HydrophobicContact CG-CB 4.3Å; P22-F25 WeakPolarHBondContact O-CB 2.92Å; P22-F25 PolarHBondContact O-N 2.56Å; A23-F25 PolarHBondContact O-N 3.16Å; F25-F52 AromaticContact CE1-CD1 3.78Å; F25-F52 HydrophobicContact CE1-CD1 3.78Å; F25-F52 HydrophobicContact CE1-CE1 4.33Å; F25-F52 HydrophobicContact CE2-CB 4.14Å; F25-F52 HydrophobicContact CE2-CD1 4.23Å; F25-F52 HydrophobicContact CZ-CB 4.06Å; F25-F52 AromaticContact CZ-CD1 3.32Å; F25-F52 HydrophobicContact CZ-CD1 3.32Å; F25-F52 HydrophobicContact CZ-CE1 4.1Å; F25-F52 HydrophobicContact CZ-CG 4.06Å; F25-E53 CarbonylContact C-O 3.44Å; F25-E53 WeakPolarHBondContact CA-O 3.03Å; F25-E53 WeakPolarHBondContact CD2-O 3.47Å; F25-L59 HydrophobicContact CD2-CD1 4.08Å; F25-L59 HydrophobicContact CE2-CD1 3.74Å; F25-I62 HydrophobicContact CE2-CD1 3.99Å; F25-I62 HydrophobicContact CZ-CD1 4.45Å; F25-F118 HydrophobicContact CD1-CD1 4.17Å; F25-F118 HydrophobicContact CE1-CB 4.38Å; F25-F118 AromaticContact CE1-CD1 3.49Å; F25-F118 HydrophobicContact CE1-CD1 3.49Å; F25-F118 VanDerWaalsContact CE1-CD1 3.49Å; F25-F118 AromaticContact CE1-CE1 3.93Å; F25-F118 HydrophobicContact CE1-CE1 3.93Å; F25-F118 HydrophobicContact CE1-CG 4.11Å; F25-F118 HydrophobicContact CZ-CD1 4.49Å; F25-P121 HydrophobicContact CB-CB 4.18Å
26	K	72.1	Confident	60.8	Low	123 Å²	123	67.4 Å²	67.4	54%	0.535	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.5	175.8	-64.8	-174.5	178.6	179.5	0	110.2	F52 E53	K26-F52 CarbonylContact O-C 3.57Å; K26-F52 WeakPolarHBondContact O-CA 3.11Å; K26-E53 PolarHBondContact N-O 3.46Å; K26-E53 PolarHBondContact O-N 2.75Å
27	A	72	Confident	61.2	Low	10 Å²	10	67.7 Å²	67.7	8%	0.083	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.9	162.9	0	0	0	0	0	108.7	L50 V51 F52 A115 F118	A27-L50 HydrophobicContact CB-CD1 4.02Å; A27-L50 HydrophobicContact CB-CG 4.43Å; A27-V51 CarbonylContact C-O 3.59Å; A27-V51 WeakPolarHBondContact CA-O 3.32Å; A27-F52 HydrophobicContact CB-CD1 3.61Å; A27-F52 HydrophobicContact CB-CE1 3.69Å; A27-F52 HydrophobicContact CB-CG 4.45Å; A27-A115 WeakPolarHBondContact O-CB 3.47Å; A27-F118 HydrophobicContact CB-CB 3.69Å; A27-F118 HydrophobicContact CB-CD2 3.95Å; A27-F118 HydrophobicContact CB-CG 4.05Å
28	T	73.1	Confident	61.3	Low	43 Å²	43	76.7 Å²	76.7	26%	0.264	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.5	-179.9	61.8	0	0	0	0	109.8	V51 E53	T28-V51 PolarHBondContact N-O 3.41Å; T28-V51 PolarHBondContact O-N 2.84Å; T28-V51 PolarHBondContact OG1-O 3.35Å; T28-E53 PolarHBondContact OG1-OE1 3.06Å
29	V	71.6	Confident	61.8	Low	40 Å²	40	80.2 Å²	80.2	24%	0.242	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.1	171.3	-173.3	0	0	0	0	107.8	F48 A49 L50 F111 E112 A115	V29-F48 HydrophobicContact CG1-CD1 4.35Å; V29-A49 CarbonylContact C-O 3.58Å; V29-A49 WeakPolarHBondContact CA-O 3.31Å; V29-L50 HydrophobicContact CG2-CD1 4.25Å; V29-F111 HydrophobicContact CG1-CB 4.17Å; V29-F111 HydrophobicContact CG2-CB 3.76Å; V29-F111 WeakPolarHBondContact CG2-O 3.43Å; V29-E112 HydrophobicContact CG2-CG 4.04Å; V29-A115 HydrophobicContact CG2-CB 3.97Å
30	K	70.2	Confident	61.5	Low	97 Å²	97	76.1 Å²	76.1	42%	0.422	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.5	171	-65	-147.7	178.3	-170.7	0	109.8	F48 A49 V51	K30-F48 WeakPolarHBondContact O-CA 3.31Å; K30-A49 HydrophobicContact CB-CB 4.4Å; K30-A49 PolarHBondContact N-O 3.19Å; K30-A49 PolarHBondContact O-N 3.35Å; K30-V51 HydrophobicContact CB-CG2 4.17Å; K30-V51 HydrophobicContact CD-CG2 4.01Å; K30-V51 HydrophobicContact CG-CB 4.31Å; K30-V51 HydrophobicContact CG-CG2 3.72Å
31	D	70.3	Confident	61.6	Low	108 Å²	108	75.1 Å²	75.1	58%	0.578	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	145.8	164.7	-161.7	-9.7	0	0	0	108.9	F48	D31-F48 HydrophobicContact CB-CD1 4.18Å; D31-F48 HydrophobicContact CB-CE1 3.85Å; D31-F48 VanDerWaalsContact OD1-CE1 3.27Å; D31-F48 WeakPolarHBondContact OD1-CE1 3.06Å
32	N	66.5	Low	61.3	Low	101 Å²	101	79.6 Å²	79.6	54%	0.54	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.7	40.2	178.2	-158.5	65.9	0	0	0	116	H34 A46	N32-H34 PolarHBondContact ND2-NE2 2.75Å; N32-H34 PolarHBondContact O-CD2 2.73Å; N32-A46 HydrophobicContact CB-CB 4.35Å; N32-A46 WeakPolarHBondContact OD1-CB 3.37Å
33	A	64	Low	60.9	Low	21 Å²	21	78 Å²	78	17%	0.174	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	148.3	172	0	0	0	0	0	112.1	A46 F47 A49	A33-A46 CarbonylContact O-C 3.56Å; A33-A46 WeakPolarHBondContact O-CA 3.14Å; A33-F47 HydrophobicContact CB-CD1 4.45Å; A33-F47 HydrophobicContact CB-CD2 4.37Å; A33-F47 HydrophobicContact CB-CE1 4.14Å; A33-F47 HydrophobicContact CB-CE2 4.05Å; A33-F47 HydrophobicContact CB-CZ 3.93Å; A33-F47 WeakPolarHBondContact CB-O 3.44Å; A33-F47 PolarHBondContact N-O 2.79Å; A33-F47 WeakPolarHBondContact O-CD1 3.2Å; A33-F47 WeakPolarHBondContact O-CE1 3.48Å; A33-F47 PolarHBondContact O-N 3.39Å; A33-A49 HydrophobicContact CB-CB 3.42Å; A33-A49 VanDerWaalsContact CB-CB 3.42Å
34	H	58.3	Low	60.7	Low	68 Å²	68	80.5 Å²	80.5	32%	0.315	41%	0.406	S	S	.	.			trans	-127.8	141.9	179.2	-63.3	-98.2	0	0	0	109.8	N32 L42 S43 K45	N32-H34 PolarHBondContact ND2-NE2 2.75Å; N32-H34 PolarHBondContact O-CD2 2.73Å; H34-L42 HydrophobicContact CB-CB 4.23Å; H34-L42 HydrophobicContact CB-CD2 4.45Å; H34-S43 PolarHBondContact ND1-O 3.06Å; H34-K45 PolarHBondContact ND1-O 3.46Å
35	Y	55.8	Low	60.1	Low	131 Å²	131	88.3 Å²	88.3	51%	0.514	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-90.8	147.4	176.9	70.7	-96.3	0	0	0	110.6	K37 L42 S43	Y35-K37 HydrophobicContact CD2-CG 4.49Å; Y35-K37 HydrophobicContact CE2-CG 3.87Å; Y35-L42 CarbonylContact O-C 3.56Å; Y35-S43 VanDerWaalsContact CD1-CB 3.43Å; Y35-S43 VanDerWaalsContact CD1-OG 3.27Å; Y35-S43 WeakPolarHBondContact CD1-OG 3.08Å; Y35-S43 VanDerWaalsContact CZ-CB 3.5Å; Y35-S43 PolarHBondContact N-OG 3.17Å; Y35-S43 VanDerWaalsContact N-OG 3.07Å; Y35-S43 PolarHBondContact O-N 3.26Å
36	E	48.9	Very low	59.6	Low	131 Å²	131	90.2 Å²	90.2	61%	0.612	45%	0.453	S	S	*	.	B	Isolated β-bridge	trans	-78.8	123.1	172.6	-167	-177.9	177.1	0	0	109.8	G40	E36-G40 WeakPolarHBondContact OE1-CA 3.46Å
37	K	44.1	Very low	58.8	Low	64 Å²	64	88.3 Å²	88.3	28%	0.278	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-72	162.1	172.6	-63.3	179.8	-162.5	156.8	0	109.3	Y35 D39 G40 S41 L42 D44	Y35-K37 HydrophobicContact CD2-CG 4.49Å; Y35-K37 HydrophobicContact CE2-CG 3.87Å; K37-D39 VanDerWaalsContact CB-OD1 3.28Å; K37-D39 WeakPolarHBondContact CB-OD1 3.38Å; K37-D39 PolarHBondContact O-N 3.1Å; K37-G40 PolarHBondContact O-N 2.77Å; K37-S41 WeakPolarHBondContact CB-O 3.44Å; K37-S41 WeakPolarHBondContact CD-OG 3.19Å; K37-S41 PolarHBondContact N-O 3.29Å; K37-L42 WeakPolarHBondContact CE-O 3.41Å; K37-L42 PolarHBondContact NZ-O 3.4Å; K37-D44 IonicContact NZ-OD1 2.83Å; K37-D44 PolarHBondContact NZ-OD1 3.24Å
38	R	39.6	Very low	58.2	Low	262 Å²	262	91 Å²	91	99%	0.989	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.5	-179.2	-165.7	175.4	-178.4	-171.3	-1.6	114.2
39	D	56.3	Low	57.7	Low	126 Å²	126	89.4 Å²	89.4	67%	0.674	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-2	176.7	62.3	8.8	0	0	0	113.8	K37 S41	K37-D39 VanDerWaalsContact CB-OD1 3.28Å; K37-D39 WeakPolarHBondContact CB-OD1 3.38Å; K37-D39 PolarHBondContact O-N 3.1Å; D39-S41 WeakPolarHBondContact OD1-CB 3.46Å; D39-S41 PolarHBondContact OD1-N 3.41Å; D39-S41 PolarHBondContact OD1-OG 3Å; D39-S41 PolarHBondContact OD2-OG 3.35Å
40	G	44.8	Very low	57.2	Low	45 Å²	45	87.5 Å²	87.5	46%	0.464	43%	0.434	S	S	.	.	S	Bend	trans	86.5	3.2	-178	0	0	0	0	0	114.9	E36 K37	E36-G40 WeakPolarHBondContact OE1-CA 3.46Å; K37-G40 PolarHBondContact O-N 2.77Å
41	S	56.2	Low	57.1	Low	47 Å²	47	83.7 Å²	83.7	33%	0.329	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-86.7	158	172.1	68.8	0	0	0	0	111.8	K37 D39	K37-S41 WeakPolarHBondContact CB-O 3.44Å; K37-S41 WeakPolarHBondContact CD-OG 3.19Å; K37-S41 PolarHBondContact N-O 3.29Å; D39-S41 WeakPolarHBondContact OD1-CB 3.46Å; D39-S41 PolarHBondContact OD1-N 3.41Å; D39-S41 PolarHBondContact OD1-OG 3Å; D39-S41 PolarHBondContact OD2-OG 3.35Å
42	L	54.4	Low	56.9	Low	108 Å²	108	78.6 Å²	78.6	57%	0.565	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-84.9	153	175.8	-65.3	178	0	0	0	112.1	H34 Y35 K37	H34-L42 HydrophobicContact CB-CB 4.23Å; H34-L42 HydrophobicContact CB-CD2 4.45Å; Y35-L42 CarbonylContact O-C 3.56Å; K37-L42 WeakPolarHBondContact CE-O 3.41Å; K37-L42 PolarHBondContact NZ-O 3.4Å
43	S	54	Low	56.8	Low	4 Å²	4	75.2 Å²	75.2	3%	0.028	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-66.6	143.4	169.8	66.2	0	0	0	0	112.3	H34 Y35 K45	H34-S43 PolarHBondContact ND1-O 3.06Å; Y35-S43 VanDerWaalsContact CD1-CB 3.43Å; Y35-S43 VanDerWaalsContact CD1-OG 3.27Å; Y35-S43 WeakPolarHBondContact CD1-OG 3.08Å; Y35-S43 VanDerWaalsContact CZ-CB 3.5Å; Y35-S43 PolarHBondContact N-OG 3.17Å; Y35-S43 VanDerWaalsContact N-OG 3.07Å; Y35-S43 PolarHBondContact O-N 3.26Å; S43-K45 VanDerWaalsContact C-N 3.26Å; S43-K45 PolarHBondContact O-N 2.98Å; S43-K45 PolarHBondContact OG-O 3.46Å
44	D	62.4	Low	56.9	Low	143 Å²	143	78.8 Å²	78.8	77%	0.765	38%	0.382	S	S	*	.	S	Bend	trans	-79.5	-18.6	179.1	-18.3	-16.3	0	0	0	110.8	K37	K37-D44 IonicContact NZ-OD1 2.83Å; K37-D44 PolarHBondContact NZ-OD1 3.24Å
45	K	56.6	Low	57.4	Low	176 Å²	176	80.7 Å²	80.7	77%	0.765	40%	0.395	S	S	*	.	S	Bend	trans	-90.5	131.4	174.2	-62.5	-173.8	179.9	-174.9	0	109.9	H34 S43	H34-K45 PolarHBondContact ND1-O 3.46Å; S43-K45 VanDerWaalsContact C-N 3.26Å; S43-K45 PolarHBondContact O-N 2.98Å; S43-K45 PolarHBondContact OG-O 3.46Å
46	A	60	Low	57.7	Low	46 Å²	46	77.1 Å²	77.1	38%	0.38	40%	0.398	S	S	.	.			trans	-97	156.1	174.1	0	0	0	0	0	111.6	N32 A33	N32-A46 HydrophobicContact CB-CB 4.35Å; N32-A46 WeakPolarHBondContact OD1-CB 3.37Å; A33-A46 CarbonylContact O-C 3.56Å; A33-A46 WeakPolarHBondContact O-CA 3.14Å
47	F	56.8	Low	58.2	Low	83 Å²	83	79.9 Å²	79.9	36%	0.364	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	166.7	178.1	64.4	-82.7	0	0	0	111.4	A33 A49	A33-F47 HydrophobicContact CB-CD1 4.45Å; A33-F47 HydrophobicContact CB-CD2 4.37Å; A33-F47 HydrophobicContact CB-CE1 4.14Å; A33-F47 HydrophobicContact CB-CE2 4.05Å; A33-F47 HydrophobicContact CB-CZ 3.93Å; A33-F47 WeakPolarHBondContact CB-O 3.44Å; A33-F47 PolarHBondContact N-O 2.79Å; A33-F47 WeakPolarHBondContact O-CD1 3.2Å; A33-F47 WeakPolarHBondContact O-CE1 3.48Å; A33-F47 PolarHBondContact O-N 3.39Å; F47-A49 HydrophobicContact CD2-CB 4.47Å; F47-A49 HydrophobicContact CE2-CB 3.92Å
48	F	59	Low	58.8	Low	68 Å²	68	80.3 Å²	80.3	30%	0.298	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.6	171.5	-69.1	-78	0	0	0	110.1	V29 K30 D31 Q66 K108 F111	V29-F48 HydrophobicContact CG1-CD1 4.35Å; K30-F48 WeakPolarHBondContact O-CA 3.31Å; D31-F48 HydrophobicContact CB-CD1 4.18Å; D31-F48 HydrophobicContact CB-CE1 3.85Å; D31-F48 VanDerWaalsContact OD1-CE1 3.27Å; D31-F48 WeakPolarHBondContact OD1-CE1 3.06Å; F48-Q66 PolarHBondContact O-NE2 2.77Å; F48-K108 HydrophobicContact CD1-CG 4.34Å; F48-K108 HydrophobicContact CE1-CB 4.48Å; F48-K108 HydrophobicContact CE1-CD 3.8Å; F48-K108 HydrophobicContact CE1-CG 4.11Å; F48-K108 HydrophobicContact CE2-CB 4.42Å; F48-K108 HydrophobicContact CZ-CB 4.42Å; F48-K108 HydrophobicContact CZ-CD 3.91Å; F48-K108 HydrophobicContact CZ-CG 4.4Å; F48-F111 HydrophobicContact CB-CD2 4.07Å; F48-F111 HydrophobicContact CB-CE2 4.27Å; F48-F111 WeakPolarHBondContact O-CE2 3.31Å
49	A	62.4	Low	59.5	Low	8 Å²	8	69.5 Å²	69.5	7%	0.066	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.5	176.7	0	0	0	0	0	112.1	V29 K30 A33 F47 V51	V29-A49 CarbonylContact C-O 3.58Å; V29-A49 WeakPolarHBondContact CA-O 3.31Å; K30-A49 HydrophobicContact CB-CB 4.4Å; K30-A49 PolarHBondContact N-O 3.19Å; K30-A49 PolarHBondContact O-N 3.35Å; A33-A49 HydrophobicContact CB-CB 3.42Å; A33-A49 VanDerWaalsContact CB-CB 3.42Å; F47-A49 HydrophobicContact CD2-CB 4.47Å; F47-A49 HydrophobicContact CE2-CB 3.92Å; A49-V51 HydrophobicContact CB-CG2 4.01Å
50	L	61.3	Low	58.9	Low	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	108.3	160.8	-172.7	69.6	0	0	0	107.7	A27 V29 F52 F65 Q66 F111 V114 A115	A27-L50 HydrophobicContact CB-CD1 4.02Å; A27-L50 HydrophobicContact CB-CG 4.43Å; V29-L50 HydrophobicContact CG2-CD1 4.25Å; L50-F52 HydrophobicContact CD2-CE1 4.2Å; L50-F52 HydrophobicContact CD2-CE2 3.71Å; L50-F52 HydrophobicContact CD2-CZ 3.38Å; L50-F52 HydrophobicContact CG-CE2 3.92Å; L50-F52 HydrophobicContact CG-CZ 3.96Å; L50-F65 HydrophobicContact CD2-CD1 3.95Å; L50-F65 HydrophobicContact CD2-CE1 4.21Å; L50-Q66 HydrophobicContact CB-CG 4.03Å; L50-F111 HydrophobicContact CB-CD1 3.9Å; L50-F111 HydrophobicContact CB-CE1 4.12Å; L50-F111 HydrophobicContact CB-CG 4.49Å; L50-F111 HydrophobicContact CD2-CD1 4.41Å; L50-V114 HydrophobicContact CD2-CB 4.34Å; L50-V114 HydrophobicContact CD2-CG1 3.62Å; L50-A115 HydrophobicContact CD1-CB 4.02Å
51	V	67.4	Low	58.7	Low	17 Å²	17	72.9 Å²	72.9	10%	0.103	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.2	-178.3	-179.2	0	0	0	0	108.5	A27 T28 K30 A49 E53 P58	A27-V51 CarbonylContact C-O 3.59Å; A27-V51 WeakPolarHBondContact CA-O 3.32Å; T28-V51 PolarHBondContact N-O 3.41Å; T28-V51 PolarHBondContact O-N 2.84Å; T28-V51 PolarHBondContact OG1-O 3.35Å; K30-V51 HydrophobicContact CB-CG2 4.17Å; K30-V51 HydrophobicContact CD-CG2 4.01Å; K30-V51 HydrophobicContact CG-CB 4.31Å; K30-V51 HydrophobicContact CG-CG2 3.72Å; A49-V51 HydrophobicContact CB-CG2 4.01Å; V51-E53 HydrophobicContact CG1-CG 4.18Å; V51-P58 HydrophobicContact CG1-CB 4.02Å
52	F	66.6	Low	57.9	Low	2 Å²	2	72.3 Å²	72.3	1%	0.009	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	140.5	172.8	-62.6	-88.3	0	0	0	109.4	F25 K26 A27 L50 P58 L59 I62 F65 F118	F25-F52 AromaticContact CE1-CD1 3.78Å; F25-F52 HydrophobicContact CE1-CD1 3.78Å; F25-F52 HydrophobicContact CE1-CE1 4.33Å; F25-F52 HydrophobicContact CE2-CB 4.14Å; F25-F52 HydrophobicContact CE2-CD1 4.23Å; F25-F52 HydrophobicContact CZ-CB 4.06Å; F25-F52 AromaticContact CZ-CD1 3.32Å; F25-F52 HydrophobicContact CZ-CD1 3.32Å; F25-F52 HydrophobicContact CZ-CE1 4.1Å; F25-F52 HydrophobicContact CZ-CG 4.06Å; K26-F52 CarbonylContact O-C 3.57Å; K26-F52 WeakPolarHBondContact O-CA 3.11Å; A27-F52 HydrophobicContact CB-CD1 3.61Å; A27-F52 HydrophobicContact CB-CE1 3.69Å; A27-F52 HydrophobicContact CB-CG 4.45Å; L50-F52 HydrophobicContact CD2-CE1 4.2Å; L50-F52 HydrophobicContact CD2-CE2 3.71Å; L50-F52 HydrophobicContact CD2-CZ 3.38Å; L50-F52 HydrophobicContact CG-CE2 3.92Å; L50-F52 HydrophobicContact CG-CZ 3.96Å; F52-P58 CarbonylContact O-C 3.59Å; F52-L59 HydrophobicContact CB-CB 4.34Å; F52-L59 HydrophobicContact CB-CD1 4.42Å; F52-L59 WeakPolarHBondContact O-CB 3.49Å; F52-L59 PolarHBondContact O-N 3.26Å; F52-I62 HydrophobicContact CB-CB 3.88Å; F52-I62 HydrophobicContact CB-CG2 3.89Å; F52-I62 HydrophobicContact CD1-CG2 4.04Å; F52-I62 HydrophobicContact CD2-CB 3.84Å; F52-I62 HydrophobicContact CD2-CG2 3.31Å; F52-I62 WeakPolarHBondContact CD2-O 3.14Å; F52-I62 HydrophobicContact CE1-CG2 4.36Å; F52-I62 HydrophobicContact CE2-CG2 3.75Å; F52-I62 WeakPolarHBondContact CE2-O 3.16Å; F52-I62 HydrophobicContact CG-CB 3.96Å; F52-I62 HydrophobicContact CG-CG2 3.45Å; F52-I62 VanDerWaalsContact CG-CG2 3.45Å; F52-I62 HydrophobicContact CZ-CG2 4.22Å; F52-F65 HydrophobicContact CE2-CB 3.66Å; F52-F65 AromaticContact CE2-CD1 3.92Å; F52-F65 HydrophobicContact CE2-CD1 3.92Å; F52-F65 HydrophobicContact CE2-CG 4.02Å; F52-F65 HydrophobicContact CZ-CB 4.1Å; F52-F65 AromaticContact CZ-CD1 3.65Å; F52-F65 HydrophobicContact CZ-CD1 3.65Å; F52-F65 HydrophobicContact CZ-CE1 4.27Å; F52-F65 AromaticContact CZ-CG 3.95Å; F52-F65 HydrophobicContact CZ-CG 3.95Å; F52-F118 HydrophobicContact CE1-CD1 4.49Å; F52-F118 AromaticContact CE1-CD2 3.77Å; F52-F118 HydrophobicContact CE1-CD2 3.77Å; F52-F118 HydrophobicContact CE1-CE1 4.27Å; F52-F118 AromaticContact CE1-CE2 3.56Å; F52-F118 HydrophobicContact CE1-CE2 3.56Å; F52-F118 HydrophobicContact CE1-CG 4.24Å; F52-F118 AromaticContact CE1-CZ 3.8Å; F52-F118 HydrophobicContact CE1-CZ 3.8Å; F52-F118 HydrophobicContact CZ-CE2 4.02Å; F52-F118 HydrophobicContact CZ-CZ 4.38Å
53	E	63.8	Low	57.1	Low	30 Å²	30	68.9 Å²	68.9	14%	0.14	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.9	-176.6	-63.9	177.9	-177.1	0	0	109.7	F25 K26 T28 V51 R57	F25-E53 CarbonylContact C-O 3.44Å; F25-E53 WeakPolarHBondContact CA-O 3.03Å; F25-E53 WeakPolarHBondContact CD2-O 3.47Å; K26-E53 PolarHBondContact N-O 3.46Å; K26-E53 PolarHBondContact O-N 2.75Å; T28-E53 PolarHBondContact OG1-OE1 3.06Å; V51-E53 HydrophobicContact CG1-CG 4.18Å; E53-R57 CarbonylContact C-O 3.51Å; E53-R57 WeakPolarHBondContact CA-O 3.26Å
54	Y	65.4	Low	56.3	Low	95 Å²	95	70.6 Å²	70.6	37%	0.373	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.1	166.5	177.9	-102.1	0	0	0	108.9	P22 G24 G56 R57	P22-Y54 HydrophobicContact CB-CD2 4.47Å; P22-Y54 HydrophobicContact CB-CE2 3.73Å; P22-Y54 HydrophobicContact CG-CD2 3.78Å; P22-Y54 HydrophobicContact CG-CE2 3.49Å; P22-Y54 VanDerWaalsContact CG-CE2 3.49Å; G24-Y54 WeakPolarHBondContact O-CA 3.36Å; Y54-G56 PolarHBondContact O-N 3.34Å; Y54-R57 PolarHBondContact N-O 3.31Å; Y54-R57 WeakPolarHBondContact O-CB 3.27Å; Y54-R57 PolarHBondContact O-N 2.76Å
55	D	69.3	Low	55.2	Low	109 Å²	109	65.1 Å²	65.1	58%	0.583	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	42.4	-174.6	-70.4	-25.6	0	0	0	112.9	G24 R57	G24-D55 VanDerWaalsContact CA-OD1 3.26Å; G24-D55 WeakPolarHBondContact CA-OD1 3.19Å; G24-D55 PolarHBondContact O-N 2.93Å; D55-R57 VanDerWaalsContact C-N 3.3Å; D55-R57 PolarHBondContact O-N 3.28Å
56	G	61.9	Low	54.4	Low	56 Å²	56	57.6 Å²	57.6	58%	0.577	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	6.3	178.5	0	0	0	0	0	115.4	Y54	Y54-G56 PolarHBondContact O-N 3.34Å
57	R	58.9	Low	53.2	Low	188 Å²	188	61.4 Å²	61.4	71%	0.709	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.1	175.5	-63	-175.1	-179.5	-171.3	-0	111.1	E53 Y54 D55 L59	E53-R57 CarbonylContact C-O 3.51Å; E53-R57 WeakPolarHBondContact CA-O 3.26Å; Y54-R57 PolarHBondContact N-O 3.31Å; Y54-R57 WeakPolarHBondContact O-CB 3.27Å; Y54-R57 PolarHBondContact O-N 2.76Å; D55-R57 VanDerWaalsContact C-N 3.3Å; D55-R57 PolarHBondContact O-N 3.28Å; R57-L59 PolarHBondContact O-N 3.1Å
58	P	58.1	Low	52.4	Low	74 Å²	74	60.4 Å²	60.4	48%	0.481	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	129.7	174.5	-23.8	33.9	0	0	0	112.8	V51 F52 L60	V51-P58 HydrophobicContact CG1-CB 4.02Å; F52-P58 CarbonylContact O-C 3.59Å; P58-L60 PolarHBondContact O-N 2.78Å
59	L	52.9	Low	51.4	Low	35 Å²	35	57.4 Å²	57.4	18%	0.183	29%	0.291	C	S	.	.			trans	-90.3	86.2	170.8	-59.4	173.1	0	0	0	107.7	W17 F25 F52 R57 E61 I62 S63	W17-L59 HydrophobicContact CH2-CD1 4.14Å; F25-L59 HydrophobicContact CD2-CD1 4.08Å; F25-L59 HydrophobicContact CE2-CD1 3.74Å; F52-L59 HydrophobicContact CB-CB 4.34Å; F52-L59 HydrophobicContact CB-CD1 4.42Å; F52-L59 WeakPolarHBondContact O-CB 3.49Å; F52-L59 PolarHBondContact O-N 3.26Å; R57-L59 PolarHBondContact O-N 3.1Å; L59-E61 PolarHBondContact O-N 2.9Å; L59-I62 HydrophobicContact CB-CB 4.27Å; L59-I62 HydrophobicContact CB-CD1 4.16Å; L59-I62 HydrophobicContact CB-CG1 4.04Å; L59-I62 HydrophobicContact CD1-CD1 3.53Å; L59-I62 HydrophobicContact CD1-CG1 4.34Å; L59-I62 HydrophobicContact CG-CD1 4.46Å; L59-I62 PolarHBondContact O-N 3.18Å; L59-I62 VanDerWaalsContact O-N 3.12Å; L59-S63 PolarHBondContact O-N 2.93Å; L59-S63 PolarHBondContact O-OG 3.18Å
60	L	44.4	Very low	50.3	Low	149 Å²	149	62 Å²	62	78%	0.78	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-33.4	176.8	-88.8	153.3	0	0	0	112.5	P58 S63	P58-L60 PolarHBondContact O-N 2.78Å; L60-S63 WeakPolarHBondContact O-CB 3.38Å; L60-S63 PolarHBondContact O-N 3.3Å
61	E	39.8	Very low	48.8	Very low	93 Å²	93	67.1 Å²	67.1	44%	0.435	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-27.4	-174.9	-59.3	-174.5	-165.6	0	0	113.3	Y12 L59 M64	Y12-E61 HydrophobicContact CE2-CB 4.3Å; Y12-E61 WeakPolarHBondContact CE2-OE2 3.5Å; Y12-E61 PolarHBondContact OH-OE2 2.82Å; Y12-E61 VanDerWaalsContact OH-OE2 3.13Å; L59-E61 PolarHBondContact O-N 2.9Å; E61-M64 WeakPolarHBondContact O-CB 3.28Å
62	I	39.8	Very low	47	Very low	35 Å²	35	72 Å²	72	18%	0.179	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-86.4	-12.5	173.8	-48	-176.5	0	0	0	111.1	Y12 F25 F52 L59 M64 F65	Y12-I62 HydrophobicContact CD1-CD1 4.39Å; Y12-I62 HydrophobicContact CD1-CG1 4.31Å; F25-I62 HydrophobicContact CE2-CD1 3.99Å; F25-I62 HydrophobicContact CZ-CD1 4.45Å; F52-I62 HydrophobicContact CB-CB 3.88Å; F52-I62 HydrophobicContact CB-CG2 3.89Å; F52-I62 HydrophobicContact CD1-CG2 4.04Å; F52-I62 HydrophobicContact CD2-CB 3.84Å; F52-I62 HydrophobicContact CD2-CG2 3.31Å; F52-I62 WeakPolarHBondContact CD2-O 3.14Å; F52-I62 HydrophobicContact CE1-CG2 4.36Å; F52-I62 HydrophobicContact CE2-CG2 3.75Å; F52-I62 WeakPolarHBondContact CE2-O 3.16Å; F52-I62 HydrophobicContact CG-CB 3.96Å; F52-I62 HydrophobicContact CG-CG2 3.45Å; F52-I62 VanDerWaalsContact CG-CG2 3.45Å; F52-I62 HydrophobicContact CZ-CG2 4.22Å; L59-I62 HydrophobicContact CB-CB 4.27Å; L59-I62 HydrophobicContact CB-CD1 4.16Å; L59-I62 HydrophobicContact CB-CG1 4.04Å; L59-I62 HydrophobicContact CD1-CD1 3.53Å; L59-I62 HydrophobicContact CD1-CG1 4.34Å; L59-I62 HydrophobicContact CG-CD1 4.46Å; L59-I62 PolarHBondContact O-N 3.18Å; L59-I62 VanDerWaalsContact O-N 3.12Å; I62-M64 PolarHBondContact O-N 3.07Å; I62-F65 WeakPolarHBondContact O-CB 3.19Å; I62-F65 PolarHBondContact O-N 3.43Å
63	S	37.6	Very low	45.6	Very low	35 Å²	35	78.4 Å²	78.4	25%	0.245	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-62.3	-11.7	169.7	-51.4	0	0	0	0	112.3	L59 L60 F65 Q66	L59-S63 PolarHBondContact O-N 2.93Å; L59-S63 PolarHBondContact O-OG 3.18Å; L60-S63 WeakPolarHBondContact O-CB 3.38Å; L60-S63 PolarHBondContact O-N 3.3Å; S63-F65 VanDerWaalsContact C-N 3.29Å; S63-F65 PolarHBondContact O-N 3.09Å; S63-Q66 PolarHBondContact O-N 2.79Å
64	M	37.7	Very low	44.5	Very low	41 Å²	41	79 Å²	79	20%	0.202	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-72.6	-12.7	168.5	-66.1	173.7	62.6	0	0	114.6	L5 L9 E61 I62 Q66 W67 D68	L5-M64 HydrophobicContact CD1-CE 3.72Å; L5-M64 HydrophobicContact CD2-CE 3.18Å; L5-M64 HydrophobicContact CG-CE 3.22Å; L9-M64 HydrophobicContact CD1-CE 4.37Å; L9-M64 HydrophobicContact CG-CE 4.44Å; E61-M64 WeakPolarHBondContact O-CB 3.28Å; I62-M64 PolarHBondContact O-N 3.07Å; M64-Q66 PolarHBondContact O-N 2.96Å; M64-W67 CarbonylContact O-C 3.59Å; M64-W67 VanDerWaalsContact O-CA 3.28Å; M64-W67 WeakPolarHBondContact O-CA 3.45Å; M64-W67 VanDerWaalsContact O-CB 3.25Å; M64-W67 WeakPolarHBondContact O-CB 3.36Å; M64-W67 PolarHBondContact O-N 2.78Å; M64-D68 PolarHBondContact O-N 2.94Å
65	F	40.3	Very low	43.4	Very low	28 Å²	28	75.3 Å²	75.3	12%	0.123	39%	0.385	C	S	.	.	H	α-helix	trans	-58	-34.9	169.9	-174.2	-104	0	0	0	111.2	L50 F52 I62 S63 W67 L69 L93 V114	L50-F65 HydrophobicContact CD2-CD1 3.95Å; L50-F65 HydrophobicContact CD2-CE1 4.21Å; F52-F65 HydrophobicContact CE2-CB 3.66Å; F52-F65 AromaticContact CE2-CD1 3.92Å; F52-F65 HydrophobicContact CE2-CD1 3.92Å; F52-F65 HydrophobicContact CE2-CG 4.02Å; F52-F65 HydrophobicContact CZ-CB 4.1Å; F52-F65 AromaticContact CZ-CD1 3.65Å; F52-F65 HydrophobicContact CZ-CD1 3.65Å; F52-F65 HydrophobicContact CZ-CE1 4.27Å; F52-F65 AromaticContact CZ-CG 3.95Å; F52-F65 HydrophobicContact CZ-CG 3.95Å; I62-F65 WeakPolarHBondContact O-CB 3.19Å; I62-F65 PolarHBondContact O-N 3.43Å; S63-F65 VanDerWaalsContact C-N 3.29Å; S63-F65 PolarHBondContact O-N 3.09Å; F65-W67 PolarHBondContact O-N 2.93Å; F65-L69 HydrophobicContact CD1-CD1 3.63Å; F65-L69 HydrophobicContact CE1-CD1 3.35Å; F65-L69 HydrophobicContact CE1-CG 4.43Å; F65-L69 HydrophobicContact CE2-CD1 4.46Å; F65-L69 HydrophobicContact CG-CD1 4.34Å; F65-L69 HydrophobicContact CZ-CD1 3.81Å; F65-L69 WeakPolarHBondContact O-CD1 3.27Å; F65-L69 WeakPolarHBondContact O-CG 3.37Å; F65-L69 PolarHBondContact O-N 3.21Å; F65-L93 HydrophobicContact CD2-CD2 4.2Å; F65-L93 HydrophobicContact CE2-CD2 3.26Å; F65-L93 HydrophobicContact CE2-CG 3.87Å; F65-L93 HydrophobicContact CZ-CD1 3.89Å; F65-L93 HydrophobicContact CZ-CD2 3.51Å; F65-L93 HydrophobicContact CZ-CG 3.66Å; F65-V114 HydrophobicContact CE1-CG1 4.27Å
66	Q	39.8	Very low	42.4	Very low	17 Å²	17	73.1 Å²	73.1	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-61.1	-36.7	168.1	-67.4	-160	-66.5	0	0	112	F48 L50 S63 M64 L70 F111	F48-Q66 PolarHBondContact O-NE2 2.77Å; L50-Q66 HydrophobicContact CB-CG 4.03Å; S63-Q66 PolarHBondContact O-N 2.79Å; M64-Q66 PolarHBondContact O-N 2.96Å; Q66-L70 WeakPolarHBondContact O-CB 3.26Å; Q66-L70 VanDerWaalsContact O-CD1 3.24Å; Q66-L70 WeakPolarHBondContact O-CD1 3.37Å; Q66-L70 WeakPolarHBondContact O-CG 3.46Å; Q66-L70 PolarHBondContact O-N 3.41Å; Q66-L70 VanDerWaalsContact O-N 3.14Å; Q66-F111 HydrophobicContact CG-CE1 4.29Å; Q66-F111 HydrophobicContact CG-CZ 4.22Å; Q66-F111 VanDerWaalsContact NE2-CE2 3.34Å
67	W	33.8	Very low	41.8	Very low	126 Å²	126	74 Å²	74	48%	0.477	36%	0.362	S	S	.	.	H	α-helix	trans	-74.9	-38.8	-175.4	-139.1	44.4	0	0	0	112.5	L5 M64 F65 L70 R71	L5-W67 HydrophobicContact CD1-CZ3 4.06Å; L5-W67 HydrophobicContact CD2-CE3 3.58Å; L5-W67 HydrophobicContact CD2-CZ3 3.52Å; L5-W67 HydrophobicContact CG-CZ3 4.45Å; M64-W67 CarbonylContact O-C 3.59Å; M64-W67 VanDerWaalsContact O-CA 3.28Å; M64-W67 WeakPolarHBondContact O-CA 3.45Å; M64-W67 VanDerWaalsContact O-CB 3.25Å; M64-W67 WeakPolarHBondContact O-CB 3.36Å; M64-W67 PolarHBondContact O-N 2.78Å; F65-W67 PolarHBondContact O-N 2.93Å; W67-L70 PolarHBondContact O-N 3.15Å; W67-R71 WeakPolarHBondContact O-CA 3.43Å; W67-R71 WeakPolarHBondContact O-CB 3.39Å; W67-R71 PolarHBondContact O-N 3.46Å
68	D	39.2	Very low	41.3	Very low	63 Å²	63	69.7 Å²	69.7	34%	0.337	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-39.3	175.3	-77.3	-14.3	0	0	0	111.9	L9 M64 L70 L74	L9-D68 WeakPolarHBondContact CD1-OD2 3.43Å; M64-D68 PolarHBondContact O-N 2.94Å; D68-L70 VanDerWaalsContact C-N 3.28Å; D68-L70 PolarHBondContact O-N 3.15Å; D68-L74 WeakPolarHBondContact O-CD1 3.39Å
69	L	38	Very low	41	Very low	5 Å²	5	76.2 Å²	76.2	3%	0.026	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-31.8	175	-73.4	163.9	0	0	0	113.3	F65 S75 F86 W110	F65-L69 HydrophobicContact CD1-CD1 3.63Å; F65-L69 HydrophobicContact CE1-CD1 3.35Å; F65-L69 HydrophobicContact CE1-CG 4.43Å; F65-L69 HydrophobicContact CE2-CD1 4.46Å; F65-L69 HydrophobicContact CG-CD1 4.34Å; F65-L69 HydrophobicContact CZ-CD1 3.81Å; F65-L69 WeakPolarHBondContact O-CD1 3.27Å; F65-L69 WeakPolarHBondContact O-CG 3.37Å; F65-L69 PolarHBondContact O-N 3.21Å; L69-S75 PolarHBondContact O-OG 3.48Å; L69-F86 HydrophobicContact CD2-CE1 4.18Å; L69-W110 HydrophobicContact CD1-CH2 3.51Å; L69-W110 HydrophobicContact CD1-CZ3 3.96Å; L69-W110 HydrophobicContact CD2-CH2 4.02Å; L69-W110 HydrophobicContact CG-CH2 4.3Å
70	L	39.5	Very low	41.2	Very low	105 Å²	105	80.2 Å²	80.2	55%	0.55	39%	0.394	S	S	.	.	H	α-helix	trans	-92.6	-20.4	-177.8	-68.3	172.1	0	0	0	113.7	Q66 W67 D68 Y77	Q66-L70 WeakPolarHBondContact O-CB 3.26Å; Q66-L70 VanDerWaalsContact O-CD1 3.24Å; Q66-L70 WeakPolarHBondContact O-CD1 3.37Å; Q66-L70 WeakPolarHBondContact O-CG 3.46Å; Q66-L70 PolarHBondContact O-N 3.41Å; Q66-L70 VanDerWaalsContact O-N 3.14Å; W67-L70 PolarHBondContact O-N 3.15Å; D68-L70 VanDerWaalsContact C-N 3.28Å; D68-L70 PolarHBondContact O-N 3.15Å; L70-Y77 HydrophobicContact CD2-CE2 4.43Å
71	R	30.9	Very low	41.5	Very low	107 Å²	107	74.5 Å²	74.5	40%	0.404	37%	0.372	S	S	.	.	S	Bend	trans	-105.8	124.1	-173.3	-160.6	175.5	167.9	-154.8	-16.2	111.4	W67	W67-R71 WeakPolarHBondContact O-CA 3.43Å; W67-R71 WeakPolarHBondContact O-CB 3.39Å; W67-R71 PolarHBondContact O-N 3.46Å
72	D	29.8	Very low	41.9	Very low	119 Å²	119	70.9 Å²	70.9	64%	0.636	36%	0.356	S	S	*	.	S	Bend	trans	56.5	87.8	169.5	-61.2	-26.7	0	0	0	115.1	L74	D72-L74 PolarHBondContact O-N 2.89Å
73	N	36.5	Very low	42.3	Very low	136 Å²	136	69.4 Å²	69.4	73%	0.727	35%	0.348	S	S	*	.	S	Bend	trans	72.5	7.4	158.7	-62.5	-32.5	0	0	0	119.1	L87	N73-L87 WeakPolarHBondContact O-CB 3.37Å
74	L	40.9	Very low	43	Very low	42 Å²	42	72.5 Å²	72.5	22%	0.22	36%	0.362	C	S	.	.	S	Bend	trans	-82.8	-28.7	176.8	-57.3	-172.3	0	0	0	114.1	D68 D72 F86 L87 T88	D68-L74 WeakPolarHBondContact O-CD1 3.39Å; D72-L74 PolarHBondContact O-N 2.89Å; L74-F86 CarbonylContact O-C 3.42Å; L74-F86 WeakPolarHBondContact O-CA 3.46Å; L74-F86 VanDerWaalsContact O-CD1 3.25Å; L74-F86 WeakPolarHBondContact O-CD1 3.35Å; L74-L87 VanDerWaalsContact CA-O 3.27Å; L74-L87 WeakPolarHBondContact CA-O 3.46Å; L74-L87 WeakPolarHBondContact CD2-O 3.25Å; L74-L87 PolarHBondContact O-N 3.26Å; L74-T88 HydrophobicContact CB-CG2 3.92Å; L74-T88 HydrophobicContact CD1-CG2 4.28Å; L74-T88 HydrophobicContact CD2-CG2 4.25Å; L74-T88 HydrophobicContact CG-CG2 4.37Å
75	S	42.5	Very low	43.4	Very low	18 Å²	18	76.9 Å²	76.9	13%	0.126	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.5	171.6	64	0	0	0	0	113.1	L69 Y77 K85	L69-S75 PolarHBondContact O-OG 3.48Å; S75-Y77 WeakPolarHBondContact OG-CE2 3.32Å; S75-Y77 PolarHBondContact OG-OH 3.16Å; S75-K85 CarbonylContact C-O 3.54Å; S75-K85 WeakPolarHBondContact CA-O 3.18Å
76	T	47.5	Very low	43.5	Very low	64 Å²	64	77.1 Å²	77.1	39%	0.393	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.5	175.1	44.3	0	0	0	0	109.7	D84 K85	T76-D84 WeakPolarHBondContact O-CA 3.39Å; T76-D84 WeakPolarHBondContact O-CB 3.24Å; T76-D84 PolarHBondContact O-N 3.41Å; T76-K85 PolarHBondContact N-O 3.41Å; T76-K85 WeakPolarHBondContact OG1-CB 3.49Å; T76-K85 PolarHBondContact OG1-N 2.92Å; T76-K85 VanDerWaalsContact OG1-N 3.1Å; T76-K85 PolarHBondContact OG1-O 2.92Å
77	Y	49.8	Very low	43.4	Very low	74 Å²	74	81.5 Å²	81.5	29%	0.29	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.8	-175.7	-60.8	-93.7	0	0	0	110.8	L70 S75 T82 F83	L70-Y77 HydrophobicContact CD2-CE2 4.43Å; S75-Y77 WeakPolarHBondContact OG-CE2 3.32Å; S75-Y77 PolarHBondContact OG-OH 3.16Å; Y77-T82 CarbonylContact C-O 3.51Å; Y77-T82 VanDerWaalsContact CA-O 3.28Å; Y77-T82 WeakPolarHBondContact CA-O 3.46Å; Y77-F83 AromaticContact CD1-CD1 3.97Å; Y77-F83 HydrophobicContact CD1-CD1 3.97Å; Y77-F83 HydrophobicContact CD1-CE1 4.24Å; Y77-F83 HydrophobicContact CD1-CG 4.19Å; Y77-F83 AromaticContact CE1-CD1 3.34Å; Y77-F83 HydrophobicContact CE1-CD1 3.34Å; Y77-F83 HydrophobicContact CE1-CD2 4.15Å; Y77-F83 AromaticContact CE1-CE1 3.19Å; Y77-F83 HydrophobicContact CE1-CE1 3.19Å; Y77-F83 HydrophobicContact CE1-CE2 4Å; Y77-F83 AromaticContact CE1-CG 3.86Å; Y77-F83 HydrophobicContact CE1-CG 3.86Å; Y77-F83 AromaticContact CE1-CZ 3.55Å; Y77-F83 HydrophobicContact CE1-CZ 3.55Å; Y77-F83 AromaticContact CZ-CD1 3.8Å; Y77-F83 AromaticContact CZ-CE1 3.39Å; Y77-F83 AromaticContact CZ-CZ 3.98Å; Y77-F83 WeakPolarHBondContact OH-CE1 3.45Å
78	K	49.5	Very low	43.8	Very low	97 Å²	97	77 Å²	77	42%	0.422	39%	0.39	S	S	.	.			trans	-82.1	165	170.3	-61	-178.9	-168.9	163.7	0	110.6	D80 G81 T82 D84	K78-D80 WeakPolarHBondContact CB-OD1 3.28Å; K78-D80 PolarHBondContact O-N 2.8Å; K78-D80 VanDerWaalsContact O-N 3.14Å; K78-G81 PolarHBondContact O-N 3.49Å; K78-T82 PolarHBondContact N-O 3Å; K78-D84 HydrophobicContact CG-CB 4.35Å
79	E	51.6	Low	43.8	Very low	212 Å²	212	76.7 Å²	76.7	99%	0.991	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.8	-179.8	-71.8	-172.4	158	0	0	113.9	G81	E79-G81 PolarHBondContact O-N 3.29Å
80	D	56.2	Low	44.1	Very low	118 Å²	118	81.1 Å²	81.1	63%	0.631	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	1.4	178	66.4	0.4	0	0	0	113.9	K78 T82	K78-D80 WeakPolarHBondContact CB-OD1 3.28Å; K78-D80 PolarHBondContact O-N 2.8Å; K78-D80 VanDerWaalsContact O-N 3.14Å; D80-T82 VanDerWaalsContact C-N 3.35Å; D80-T82 VanDerWaalsContact OD1-CB 3.3Å; D80-T82 WeakPolarHBondContact OD1-CB 3.35Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.38Å; D80-T82 PolarHBondContact OD1-N 3.48Å; D80-T82 PolarHBondContact OD1-OG1 3.35Å; D80-T82 PolarHBondContact OD2-OG1 2.87Å
81	G	51.7	Low	44.6	Very low	30 Å²	30	76.9 Å²	76.9	31%	0.309	41%	0.407	S	S	.	.	S	Bend	trans	84.7	3.2	-178.9	0	0	0	0	0	114.6	K78 E79	K78-G81 PolarHBondContact O-N 3.49Å; E79-G81 PolarHBondContact O-N 3.29Å
82	T	47.2	Very low	45.6	Very low	17 Å²	17	74.9 Å²	74.9	10%	0.104	40%	0.404	C	S	.	.			trans	-79.7	154.5	174.2	64.1	0	0	0	0	112.6	Y77 K78 D80 P103	Y77-T82 CarbonylContact C-O 3.51Å; Y77-T82 VanDerWaalsContact CA-O 3.28Å; Y77-T82 WeakPolarHBondContact CA-O 3.46Å; K78-T82 PolarHBondContact N-O 3Å; D80-T82 VanDerWaalsContact C-N 3.35Å; D80-T82 VanDerWaalsContact OD1-CB 3.3Å; D80-T82 WeakPolarHBondContact OD1-CB 3.35Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.38Å; D80-T82 PolarHBondContact OD1-N 3.48Å; D80-T82 PolarHBondContact OD1-OG1 3.35Å; D80-T82 PolarHBondContact OD2-OG1 2.87Å; T82-P103 WeakPolarHBondContact CB-O 3.42Å; T82-P103 WeakPolarHBondContact CG2-O 3.06Å; T82-P103 PolarHBondContact OG1-O 2.77Å
83	F	47.8	Very low	46.8	Very low	4 Å²	4	70.9 Å²	70.9	2%	0.018	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145.5	179.9	-74.8	-89.4	0	0	0	113.1	Y77 F86 A101 P103 W110	Y77-F83 AromaticContact CD1-CD1 3.97Å; Y77-F83 HydrophobicContact CD1-CD1 3.97Å; Y77-F83 HydrophobicContact CD1-CE1 4.24Å; Y77-F83 HydrophobicContact CD1-CG 4.19Å; Y77-F83 AromaticContact CE1-CD1 3.34Å; Y77-F83 HydrophobicContact CE1-CD1 3.34Å; Y77-F83 HydrophobicContact CE1-CD2 4.15Å; Y77-F83 AromaticContact CE1-CE1 3.19Å; Y77-F83 HydrophobicContact CE1-CE1 3.19Å; Y77-F83 HydrophobicContact CE1-CE2 4Å; Y77-F83 AromaticContact CE1-CG 3.86Å; Y77-F83 HydrophobicContact CE1-CG 3.86Å; Y77-F83 AromaticContact CE1-CZ 3.55Å; Y77-F83 HydrophobicContact CE1-CZ 3.55Å; Y77-F83 AromaticContact CZ-CD1 3.8Å; Y77-F83 AromaticContact CZ-CE1 3.39Å; Y77-F83 AromaticContact CZ-CZ 3.98Å; Y77-F83 WeakPolarHBondContact OH-CE1 3.45Å; F83-F86 HydrophobicContact CD1-CD2 4.39Å; F83-F86 AromaticContact CD1-CE2 3.53Å; F83-F86 HydrophobicContact CD1-CE2 3.53Å; F83-F86 HydrophobicContact CD1-CZ 4.19Å; F83-F86 AromaticContact CE1-CE2 3.51Å; F83-F86 HydrophobicContact CE1-CE2 3.51Å; F83-F86 AromaticContact CE1-CZ 3.71Å; F83-F86 HydrophobicContact CE1-CZ 3.71Å; F83-F86 HydrophobicContact CG-CE2 4.48Å; F83-F86 HydrophobicContact CZ-CE2 4.49Å; F83-A101 HydrophobicContact CG-CB 4.46Å; F83-P103 WeakPolarHBondContact O-CA 3.35Å; F83-P103 WeakPolarHBondContact O-CB 3.24Å; F83-W110 HydrophobicContact CE2-CB 3.68Å; F83-W110 HydrophobicContact CE2-CD2 4.16Å; F83-W110 AromaticContact CE2-CG 3.66Å; F83-W110 HydrophobicContact CE2-CG 3.66Å; F83-W110 HydrophobicContact CZ-CB 4.01Å; F83-W110 AromaticContact CZ-CD2 3.58Å; F83-W110 HydrophobicContact CZ-CD2 3.58Å; F83-W110 AromaticContact CZ-CE3 3.93Å; F83-W110 HydrophobicContact CZ-CE3 3.93Å; F83-W110 AromaticContact CZ-CG 3.6Å; F83-W110 HydrophobicContact CZ-CG 3.6Å
84	D	52.2	Low	47.7	Very low	99 Å²	99	65.8 Å²	65.8	53%	0.529	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-51.9	179.1	-167.4	35.4	0	0	0	112.6	T76 K78	T76-D84 WeakPolarHBondContact O-CA 3.39Å; T76-D84 WeakPolarHBondContact O-CB 3.24Å; T76-D84 PolarHBondContact O-N 3.41Å; K78-D84 HydrophobicContact CG-CB 4.35Å
85	K	47.5	Very low	48.5	Very low	134 Å²	134	68.5 Å²	68.5	58%	0.583	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.9	153.6	178.2	-173.4	177.1	178.1	-177.8	0	113.2	S75 T76	S75-K85 CarbonylContact C-O 3.54Å; S75-K85 WeakPolarHBondContact CA-O 3.18Å; T76-K85 PolarHBondContact N-O 3.41Å; T76-K85 WeakPolarHBondContact OG1-CB 3.49Å; T76-K85 PolarHBondContact OG1-N 2.92Å; T76-K85 VanDerWaalsContact OG1-N 3.1Å; T76-K85 PolarHBondContact OG1-O 2.92Å
86	F	41.6	Very low	49.5	Very low	33 Å²	33	69.5 Å²	69.5	15%	0.145	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.5	170.8	-93.6	-92.1	0	0	0	114	L69 L74 F83 T88 R98 A101 W110	L69-F86 HydrophobicContact CD2-CE1 4.18Å; L74-F86 CarbonylContact O-C 3.42Å; L74-F86 WeakPolarHBondContact O-CA 3.46Å; L74-F86 VanDerWaalsContact O-CD1 3.25Å; L74-F86 WeakPolarHBondContact O-CD1 3.35Å; F83-F86 HydrophobicContact CD1-CD2 4.39Å; F83-F86 AromaticContact CD1-CE2 3.53Å; F83-F86 HydrophobicContact CD1-CE2 3.53Å; F83-F86 HydrophobicContact CD1-CZ 4.19Å; F83-F86 AromaticContact CE1-CE2 3.51Å; F83-F86 HydrophobicContact CE1-CE2 3.51Å; F83-F86 AromaticContact CE1-CZ 3.71Å; F83-F86 HydrophobicContact CE1-CZ 3.71Å; F83-F86 HydrophobicContact CG-CE2 4.48Å; F83-F86 HydrophobicContact CZ-CE2 4.49Å; F86-T88 HydrophobicContact CD1-CG2 3.87Å; F86-T88 HydrophobicContact CE1-CG2 4.45Å; F86-R98 HydrophobicContact CB-CG 4.03Å; F86-R98 HydrophobicContact CG-CG 4.37Å; F86-A101 HydrophobicContact CD2-CB 3.83Å; F86-A101 HydrophobicContact CE2-CB 3.43Å; F86-A101 VanDerWaalsContact CE2-CB 3.43Å; F86-A101 HydrophobicContact CZ-CB 4.41Å; F86-W110 HydrophobicContact CE1-CZ2 4.45Å; F86-W110 HydrophobicContact CZ-CH2 4.39Å; F86-W110 AromaticContact CZ-CZ2 3.81Å; F86-W110 HydrophobicContact CZ-CZ2 3.81Å
87	L	37.4	Very low	50.1	Low	108 Å²	108	66.6 Å²	66.6	57%	0.565	35%	0.349	S	S	*	.			trans	-137.8	108.3	166.6	-83.7	162.8	0	0	0	108.1	N73 L74	N73-L87 WeakPolarHBondContact O-CB 3.37Å; L74-L87 VanDerWaalsContact CA-O 3.27Å; L74-L87 WeakPolarHBondContact CA-O 3.46Å; L74-L87 WeakPolarHBondContact CD2-O 3.25Å; L74-L87 PolarHBondContact O-N 3.26Å
88	T	41.8	Very low	50.5	Low	31 Å²	31	67.2 Å²	67.2	19%	0.19	35%	0.351	C	S	.	.			trans	-146.2	160.9	-173.5	46.5	0	0	0	0	113.4	L74 F86 R98	L74-T88 HydrophobicContact CB-CG2 3.92Å; L74-T88 HydrophobicContact CD1-CG2 4.28Å; L74-T88 HydrophobicContact CD2-CG2 4.25Å; L74-T88 HydrophobicContact CG-CG2 4.37Å; F86-T88 HydrophobicContact CD1-CG2 3.87Å; F86-T88 HydrophobicContact CE1-CG2 4.45Å; T88-R98 PolarHBondContact O-NH1 2.9Å; T88-R98 VanDerWaalsContact O-NH1 3.14Å; T88-R98 PolarHBondContact OG1-NH1 3.04Å
89	P	40.6	Very low	51.3	Low	58 Å²	58	69 Å²	69	38%	0.377	36%	0.361	S	S	.	.			trans	-57.4	163.2	172.2	-23.6	34.6	0	0	0	114	D91 H94 R98	P89-D91 PolarHBondContact O-N 3.43Å; P89-H94 VanDerWaalsContact O-CB 3.23Å; P89-H94 WeakPolarHBondContact O-CB 3.26Å; P89-R98 PolarHBondContact O-NH1 3.05Å
90	A	44.1	Very low	52.2	Low	97 Å²	97	61 Å²	61	80%	0.802	33%	0.325	S	S	*	.	S	Bend	trans	-96	54.5	-176.6	0	0	0	0	0	113.3
91	D	48.6	Very low	52.6	Low	16 Å²	16	56.7 Å²	56.7	9%	0.086	31%	0.306	C	S	.	.	S	Bend	trans	-104.4	166.2	167.3	60.4	62.8	0	0	0	111.6	P89 L93 H94 K95 V127 T129	P89-D91 PolarHBondContact O-N 3.43Å; D91-L93 PolarHBondContact O-N 2.83Å; D91-L93 WeakPolarHBondContact OD1-CB 3.33Å; D91-L93 PolarHBondContact OD1-N 2.93Å; D91-L93 VanDerWaalsContact OD1-N 3.17Å; D91-H94 PolarHBondContact O-N 2.91Å; D91-H94 WeakPolarHBondContact OD1-CB 3.02Å; D91-H94 IonicContact OD1-CG 2.76Å; D91-H94 PolarHBondContact OD1-N 3.29Å; D91-H94 IonicContact OD1-ND1 3.97Å; D91-H94 PolarHBondContact OD1-ND1 3.08Å; D91-H94 IonicContact OD2-CE1 3.71Å; D91-H94 PolarHBondContact OD2-CE1 3.4Å; D91-H94 IonicContact OD2-CG 2.69Å; D91-H94 IonicContact OD2-ND1 3.04Å; D91-H94 PolarHBondContact OD2-ND1 2.89Å; D91-K95 VanDerWaalsContact O-CB 3.23Å; D91-K95 WeakPolarHBondContact O-CB 3.27Å; D91-K95 PolarHBondContact O-N 3.45Å; D91-V127 HydrophobicContact CB-CB 4.38Å; D91-T129 HydrophobicContact CB-CG2 4.46Å
92	D	53	Low	53.3	Low	65 Å²	65	57.1 Å²	57.1	35%	0.348	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-34.3	-175.2	-74.1	-17.4	0	0	0	112.7	F96	D92-F96 VanDerWaalsContact O-CB 3.3Å; D92-F96 WeakPolarHBondContact O-CB 3.37Å; D92-F96 PolarHBondContact O-N 2.89Å
93	L	54.5	Low	54.1	Low	36 Å²	36	59.6 Å²	59.6	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-71.5	-47.6	-179.5	178.8	57.5	0	0	0	111.6	F65 D91 K95 F96 A97 F117 F118	F65-L93 HydrophobicContact CD2-CD2 4.2Å; F65-L93 HydrophobicContact CE2-CD2 3.26Å; F65-L93 HydrophobicContact CE2-CG 3.87Å; F65-L93 HydrophobicContact CZ-CD1 3.89Å; F65-L93 HydrophobicContact CZ-CD2 3.51Å; F65-L93 HydrophobicContact CZ-CG 3.66Å; D91-L93 PolarHBondContact O-N 2.83Å; D91-L93 WeakPolarHBondContact OD1-CB 3.33Å; D91-L93 PolarHBondContact OD1-N 2.93Å; D91-L93 VanDerWaalsContact OD1-N 3.17Å; L93-K95 VanDerWaalsContact C-N 3.33Å; L93-F96 PolarHBondContact O-N 3.4Å; L93-A97 WeakPolarHBondContact O-CB 3.28Å; L93-A97 PolarHBondContact O-N 2.91Å; L93-F117 HydrophobicContact CD1-CD1 4.17Å; L93-F117 HydrophobicContact CD1-CE1 4.01Å; L93-F118 HydrophobicContact CD1-CE1 4.35Å; L93-F118 HydrophobicContact CD1-CE2 3.53Å; L93-F118 HydrophobicContact CD1-CZ 3.32Å; L93-F118 HydrophobicContact CD2-CZ 3.79Å; L93-F118 HydrophobicContact CG-CZ 4.19Å
94	H	56.4	Low	55.1	Low	29 Å²	29	65.3 Å²	65.3	13%	0.134	36%	0.356	C	S	.	.	H	α-helix	trans	-70	-30.7	175.6	-71.9	100.7	0	0	0	112.3	P89 D91 R98	P89-H94 VanDerWaalsContact O-CB 3.23Å; P89-H94 WeakPolarHBondContact O-CB 3.26Å; D91-H94 PolarHBondContact O-N 2.91Å; D91-H94 WeakPolarHBondContact OD1-CB 3.02Å; D91-H94 IonicContact OD1-CG 2.76Å; D91-H94 PolarHBondContact OD1-N 3.29Å; D91-H94 IonicContact OD1-ND1 3.97Å; D91-H94 PolarHBondContact OD1-ND1 3.08Å; D91-H94 IonicContact OD2-CE1 3.71Å; D91-H94 PolarHBondContact OD2-CE1 3.4Å; D91-H94 IonicContact OD2-CG 2.69Å; D91-H94 IonicContact OD2-ND1 3.04Å; D91-H94 PolarHBondContact OD2-ND1 2.89Å; H94-R98 WeakPolarHBondContact O-CG 3.49Å; H94-R98 PolarHBondContact O-N 3.06Å
95	K	57.5	Low	56.2	Low	99 Å²	99	61.6 Å²	61.6	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-48.3	171.4	-174.7	-179.5	172.7	-172.7	0	111	D91 L93 A97 R98 E99	D91-K95 VanDerWaalsContact O-CB 3.23Å; D91-K95 WeakPolarHBondContact O-CB 3.27Å; D91-K95 PolarHBondContact O-N 3.45Å; L93-K95 VanDerWaalsContact C-N 3.33Å; K95-A97 VanDerWaalsContact C-N 3.31Å; K95-A97 PolarHBondContact O-N 3.27Å; K95-R98 VanDerWaalsContact CA-NH2 3.34Å; K95-R98 PolarHBondContact O-N 3.3Å; K95-E99 WeakPolarHBondContact CE-OE1 3.43Å; K95-E99 HydrophobicContact CG-CG 4.49Å; K95-E99 WeakPolarHBondContact O-CG 3.21Å; K95-E99 PolarHBondContact O-N 3.13Å
96	F	63.1	Low	57.2	Low	39 Å²	39	58.2 Å²	58.2	17%	0.171	33%	0.326	C	S	.	.	H	α-helix	trans	-56.5	-46.7	174	178	-91.1	0	0	0	111.3	D92 L93 R98 E99 N100 V114 F117	D92-F96 VanDerWaalsContact O-CB 3.3Å; D92-F96 WeakPolarHBondContact O-CB 3.37Å; D92-F96 PolarHBondContact O-N 2.89Å; L93-F96 PolarHBondContact O-N 3.4Å; F96-R98 VanDerWaalsContact C-N 3.34Å; F96-R98 PolarHBondContact O-N 2.7Å; F96-E99 PolarHBondContact O-N 2.94Å; F96-N100 WeakPolarHBondContact CD2-ND2 3.22Å; F96-N100 HydrophobicContact CE1-CB 4.47Å; F96-N100 VanDerWaalsContact CE2-ND2 3.29Å; F96-N100 WeakPolarHBondContact CE2-ND2 3.26Å; F96-N100 HydrophobicContact CZ-CB 4.45Å; F96-N100 WeakPolarHBondContact O-CB 3.34Å; F96-N100 PolarHBondContact O-N 3.05Å; F96-N100 VanDerWaalsContact O-N 3.1Å; F96-N100 PolarHBondContact O-ND2 3.48Å; F96-V114 HydrophobicContact CE1-CG2 4.37Å; F96-F117 HydrophobicContact CB-CD2 4.27Å; F96-F117 HydrophobicContact CB-CE2 4.08Å; F96-F117 HydrophobicContact CB-CZ 4.23Å; F96-F117 HydrophobicContact CD1-CB 3.96Å; F96-F117 HydrophobicContact CD1-CD1 4.3Å; F96-F117 HydrophobicContact CD1-CD2 4.12Å; F96-F117 AromaticContact CD1-CG 3.87Å; F96-F117 HydrophobicContact CD1-CG 3.87Å; F96-F117 HydrophobicContact CD2-CB 4.3Å; F96-F117 AromaticContact CD2-CD2 3.3Å; F96-F117 HydrophobicContact CD2-CD2 3.3Å; F96-F117 AromaticContact CD2-CE2 3.73Å; F96-F117 HydrophobicContact CD2-CE2 3.73Å; F96-F117 AromaticContact CD2-CG 3.92Å; F96-F117 HydrophobicContact CD2-CG 3.92Å; F96-F117 HydrophobicContact CE1-CB 3.58Å; F96-F117 HydrophobicContact CE1-CD2 4.36Å; F96-F117 HydrophobicContact CE1-CG 4.01Å; F96-F117 HydrophobicContact CE2-CB 3.93Å; F96-F117 AromaticContact CE2-CD2 3.57Å; F96-F117 HydrophobicContact CE2-CD2 3.57Å; F96-F117 HydrophobicContact CE2-CE2 4.41Å; F96-F117 HydrophobicContact CE2-CG 4.03Å; F96-F117 HydrophobicContact CG-CB 4.32Å; F96-F117 HydrophobicContact CG-CD1 4.35Å; F96-F117 AromaticContact CG-CD2 3.61Å; F96-F117 HydrophobicContact CG-CD2 3.61Å; F96-F117 AromaticContact CG-CE2 3.92Å; F96-F117 HydrophobicContact CG-CE2 3.92Å; F96-F117 AromaticContact CG-CG 3.84Å; F96-F117 HydrophobicContact CG-CG 3.84Å; F96-F117 HydrophobicContact CG-CZ 4.41Å; F96-F117 HydrophobicContact CZ-CB 3.57Å; F96-F117 HydrophobicContact CZ-CD2 4.11Å; F96-F117 HydrophobicContact CZ-CG 4.1Å
97	A	60.9	Low	58.3	Low	2 Å²	2	58.7 Å²	58.7	2%	0.017	33%	0.332	C	S	.	.	H	α-helix	trans	-55.5	-45	176.7	0	0	0	0	0	112.7	L93 K95 A101 W110	L93-A97 WeakPolarHBondContact O-CB 3.28Å; L93-A97 PolarHBondContact O-N 2.91Å; K95-A97 VanDerWaalsContact C-N 3.31Å; K95-A97 PolarHBondContact O-N 3.27Å; A97-A101 WeakPolarHBondContact O-CB 3.48Å; A97-A101 PolarHBondContact O-N 3.04Å; A97-W110 HydrophobicContact CB-CZ2 3.84Å
98	R	58.3	Low	59.7	Low	87 Å²	87	57.3 Å²	57.3	33%	0.328	32%	0.321	S	S	.	.	H	α-helix	trans	-67.9	-47.7	178.1	-75.5	-174.8	-58.8	-99.4	-2.1	113	F86 T88 P89 H94 K95 F96 N100 A101	F86-R98 HydrophobicContact CB-CG 4.03Å; F86-R98 HydrophobicContact CG-CG 4.37Å; T88-R98 PolarHBondContact O-NH1 2.9Å; T88-R98 VanDerWaalsContact O-NH1 3.14Å; T88-R98 PolarHBondContact OG1-NH1 3.04Å; P89-R98 PolarHBondContact O-NH1 3.05Å; H94-R98 WeakPolarHBondContact O-CG 3.49Å; H94-R98 PolarHBondContact O-N 3.06Å; K95-R98 VanDerWaalsContact CA-NH2 3.34Å; K95-R98 PolarHBondContact O-N 3.3Å; F96-R98 VanDerWaalsContact C-N 3.34Å; F96-R98 PolarHBondContact O-N 2.7Å; R98-N100 PolarHBondContact O-N 3.07Å; R98-A101 PolarHBondContact O-N 3.06Å
99	E	65.7	Low	61.1	Low	135 Å²	135	59.2 Å²	59.2	63%	0.631	33%	0.33	S	S	*	.	H	α-helix	trans	-66.8	-22	-176.8	-72	176.7	176.5	0	0	112.4	K95 F96	K95-E99 WeakPolarHBondContact CE-OE1 3.43Å; K95-E99 HydrophobicContact CG-CG 4.49Å; K95-E99 WeakPolarHBondContact O-CG 3.21Å; K95-E99 PolarHBondContact O-N 3.13Å; F96-E99 PolarHBondContact O-N 2.94Å
100	N	69.3	Low	62.4	Low	43 Å²	43	56.5 Å²	56.5	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-106.2	-4.2	-177.2	-72.4	-84.7	0	0	0	114.8	F96 R98 M105 K113	F96-N100 WeakPolarHBondContact CD2-ND2 3.22Å; F96-N100 HydrophobicContact CE1-CB 4.47Å; F96-N100 VanDerWaalsContact CE2-ND2 3.29Å; F96-N100 WeakPolarHBondContact CE2-ND2 3.26Å; F96-N100 HydrophobicContact CZ-CB 4.45Å; F96-N100 WeakPolarHBondContact O-CB 3.34Å; F96-N100 PolarHBondContact O-N 3.05Å; F96-N100 VanDerWaalsContact O-N 3.1Å; F96-N100 PolarHBondContact O-ND2 3.48Å; R98-N100 PolarHBondContact O-N 3.07Å; N100-M105 WeakPolarHBondContact O-CE 3.31Å; N100-M105 VanDerWaalsContact O-SD 3.38Å; N100-K113 HydrophobicContact CB-CD 4.27Å
101	A	66.3	Low	63.5	Low	28 Å²	28	52.3 Å²	52.3	23%	0.231	28%	0.276	C	S	.	.			trans	-80.3	140	172.5	0	0	0	0	0	111.2	F83 F86 A97 R98	F83-A101 HydrophobicContact CG-CB 4.46Å; F86-A101 HydrophobicContact CD2-CB 3.83Å; F86-A101 HydrophobicContact CE2-CB 3.43Å; F86-A101 VanDerWaalsContact CE2-CB 3.43Å; F86-A101 HydrophobicContact CZ-CB 4.41Å; A97-A101 WeakPolarHBondContact O-CB 3.48Å; A97-A101 PolarHBondContact O-N 3.04Å; R98-A101 PolarHBondContact O-N 3.06Å
102	S	65.5	Low	64.9	Low	39 Å²	39	55.4 Å²	55.4	27%	0.273	29%	0.29	S	S	.	.			trans	-141.5	146.9	177.1	170	0	0	0	0	111.1	T104 M105	S102-T104 PolarHBondContact O-N 2.97Å; S102-T104 PolarHBondContact OG-N 3.03Å; S102-T104 PolarHBondContact OG-OG1 3.05Å; S102-M105 WeakPolarHBondContact O-CB 3.48Å; S102-M105 PolarHBondContact O-N 3.35Å
103	P	63.3	Low	65.8	Low	70 Å²	70	56.4 Å²	56.4	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-2.7	173.5	-19.9	31.9	0	0	0	116.3	T82 F83	T82-P103 WeakPolarHBondContact CB-O 3.42Å; T82-P103 WeakPolarHBondContact CG2-O 3.06Å; T82-P103 PolarHBondContact OG1-O 2.77Å; F83-P103 WeakPolarHBondContact O-CA 3.35Å; F83-P103 WeakPolarHBondContact O-CB 3.24Å
104	T	69.9	Low	66.6	Low	123 Å²	123	54.7 Å²	54.7	76%	0.755	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	3.8	174.8	63.6	0	0	0	0	112.6	S102	S102-T104 PolarHBondContact O-N 2.97Å; S102-T104 PolarHBondContact OG-N 3.03Å; S102-T104 PolarHBondContact OG-OG1 3.05Å
105	M	74.6	Confident	67.3	Low	21 Å²	21	54 Å²	54	10%	0.103	28%	0.282	C	S	.	.			trans	-95	138.8	-176.9	-174.5	176.2	-65.7	0	0	110.8	N100 S102 D109 W110 K113	N100-M105 WeakPolarHBondContact O-CE 3.31Å; N100-M105 VanDerWaalsContact O-SD 3.38Å; S102-M105 WeakPolarHBondContact O-CB 3.48Å; S102-M105 PolarHBondContact O-N 3.35Å; M105-D109 HydrophobicContact CG-CB 3.89Å; M105-W110 HydrophobicContact CG-CB 4.2Å; M105-W110 HydrophobicContact SD-CB 3.66Å; M105-W110 HydrophobicContact SD-CG 4.13Å; M105-K113 HydrophobicContact CE-CD 3.89Å; M105-K113 HydrophobicContact SD-CD 4.29Å
106	T	69.8	Low	68.2	Low	63 Å²	63	54 Å²	54	39%	0.387	29%	0.29	S	S	.	.			trans	-81.2	158.3	173.1	73.9	0	0	0	0	111.4	K108 D109 W110	T106-K108 PolarHBondContact O-N 3.38Å; T106-D109 PolarHBondContact N-OD2 3.29Å; T106-D109 PolarHBondContact O-N 3.06Å; T106-D109 PolarHBondContact OG1-N 2.96Å; T106-D109 PolarHBondContact OG1-OD2 3.27Å; T106-W110 WeakPolarHBondContact O-CB 3.3Å; T106-W110 PolarHBondContact O-N 2.95Å; T106-W110 VanDerWaalsContact O-N 3.07Å
107	T	63.5	Low	68.5	Low	44 Å²	44	54.6 Å²	54.6	27%	0.27	29%	0.293	S	S	.	.	H	α-helix	trans	-57	-35.4	174.1	-47.2	0	0	0	0	112.5	F111	T107-F111 HydrophobicContact CG2-CD2 3.92Å; T107-F111 HydrophobicContact CG2-CE2 3.54Å; T107-F111 HydrophobicContact CG2-CZ 4.16Å; T107-F111 WeakPolarHBondContact O-CD2 3.29Å; T107-F111 PolarHBondContact O-N 3.17Å
108	K	68.2	Low	68.9	Low	79 Å²	79	55 Å²	55	34%	0.343	29%	0.294	S	S	.	.	H	α-helix	trans	-65.6	-53.7	178	178.9	-178.3	172	176.6	0	111.3	F48 T106 W110 F111 E112	F48-K108 HydrophobicContact CD1-CG 4.34Å; F48-K108 HydrophobicContact CE1-CB 4.48Å; F48-K108 HydrophobicContact CE1-CD 3.8Å; F48-K108 HydrophobicContact CE1-CG 4.11Å; F48-K108 HydrophobicContact CE2-CB 4.42Å; F48-K108 HydrophobicContact CZ-CB 4.42Å; F48-K108 HydrophobicContact CZ-CD 3.91Å; F48-K108 HydrophobicContact CZ-CG 4.4Å; T106-K108 PolarHBondContact O-N 3.38Å; K108-W110 PolarHBondContact O-N 2.64Å; K108-F111 PolarHBondContact O-N 3.26Å; K108-F111 VanDerWaalsContact O-N 3.09Å; K108-E112 WeakPolarHBondContact CE-OE1 3.47Å; K108-E112 IonicContact NZ-OE1 3.93Å; K108-E112 WeakPolarHBondContact O-CG 3.24Å; K108-E112 PolarHBondContact O-N 2.91Å
109	D	70.3	Confident	69.6	Low	70 Å²	70	54.1 Å²	54.1	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-58.2	-35.6	179.8	-56.1	-38.2	0	0	0	110.9	M105 T106 K113	M105-D109 HydrophobicContact CG-CB 3.89Å; T106-D109 PolarHBondContact N-OD2 3.29Å; T106-D109 PolarHBondContact O-N 3.06Å; T106-D109 PolarHBondContact OG1-N 2.96Å; T106-D109 PolarHBondContact OG1-OD2 3.27Å; D109-K113 WeakPolarHBondContact O-CG 3.45Å; D109-K113 PolarHBondContact O-N 2.97Å
110	W	67.9	Low	69.8	Low	2 Å²	2	52.1 Å²	52.1	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-68.3	-46	176.1	-172.7	78.8	0	0	0	112.7	L69 F83 F86 A97 M105 T106 K108 E112 K113 V114	L69-W110 HydrophobicContact CD1-CH2 3.51Å; L69-W110 HydrophobicContact CD1-CZ3 3.96Å; L69-W110 HydrophobicContact CD2-CH2 4.02Å; L69-W110 HydrophobicContact CG-CH2 4.3Å; F83-W110 HydrophobicContact CE2-CB 3.68Å; F83-W110 HydrophobicContact CE2-CD2 4.16Å; F83-W110 AromaticContact CE2-CG 3.66Å; F83-W110 HydrophobicContact CE2-CG 3.66Å; F83-W110 HydrophobicContact CZ-CB 4.01Å; F83-W110 AromaticContact CZ-CD2 3.58Å; F83-W110 HydrophobicContact CZ-CD2 3.58Å; F83-W110 AromaticContact CZ-CE3 3.93Å; F83-W110 HydrophobicContact CZ-CE3 3.93Å; F83-W110 AromaticContact CZ-CG 3.6Å; F83-W110 HydrophobicContact CZ-CG 3.6Å; F86-W110 HydrophobicContact CE1-CZ2 4.45Å; F86-W110 HydrophobicContact CZ-CH2 4.39Å; F86-W110 AromaticContact CZ-CZ2 3.81Å; F86-W110 HydrophobicContact CZ-CZ2 3.81Å; A97-W110 HydrophobicContact CB-CZ2 3.84Å; M105-W110 HydrophobicContact CG-CB 4.2Å; M105-W110 HydrophobicContact SD-CB 3.66Å; M105-W110 HydrophobicContact SD-CG 4.13Å; T106-W110 WeakPolarHBondContact O-CB 3.3Å; T106-W110 PolarHBondContact O-N 2.95Å; T106-W110 VanDerWaalsContact O-N 3.07Å; K108-W110 PolarHBondContact O-N 2.64Å; W110-E112 VanDerWaalsContact C-N 3.29Å; W110-E112 PolarHBondContact O-N 2.87Å; W110-K113 WeakPolarHBondContact O-CB 3.44Å; W110-K113 PolarHBondContact O-N 3.41Å; W110-V114 HydrophobicContact CD2-CG2 4.22Å; W110-V114 HydrophobicContact CE3-CG2 4.36Å; W110-V114 HydrophobicContact CH2-CG2 4.23Å; W110-V114 HydrophobicContact CZ2-CG2 4.07Å; W110-V114 HydrophobicContact CZ3-CG2 4.37Å; W110-V114 WeakPolarHBondContact O-CG2 3.33Å; W110-V114 PolarHBondContact O-N 2.78Å
111	F	67.1	Low	69.4	Low	8 Å²	8	50.4 Å²	50.4	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-37.4	174	-78.4	-41.5	0	0	0	112.3	V29 F48 L50 Q66 T107 K108 K113 V114 A115	V29-F111 HydrophobicContact CG1-CB 4.17Å; V29-F111 HydrophobicContact CG2-CB 3.76Å; V29-F111 WeakPolarHBondContact CG2-O 3.43Å; F48-F111 HydrophobicContact CB-CD2 4.07Å; F48-F111 HydrophobicContact CB-CE2 4.27Å; F48-F111 WeakPolarHBondContact O-CE2 3.31Å; L50-F111 HydrophobicContact CB-CD1 3.9Å; L50-F111 HydrophobicContact CB-CE1 4.12Å; L50-F111 HydrophobicContact CB-CG 4.49Å; L50-F111 HydrophobicContact CD2-CD1 4.41Å; Q66-F111 HydrophobicContact CG-CE1 4.29Å; Q66-F111 HydrophobicContact CG-CZ 4.22Å; Q66-F111 VanDerWaalsContact NE2-CE2 3.34Å; T107-F111 HydrophobicContact CG2-CD2 3.92Å; T107-F111 HydrophobicContact CG2-CE2 3.54Å; T107-F111 HydrophobicContact CG2-CZ 4.16Å; T107-F111 WeakPolarHBondContact O-CD2 3.29Å; T107-F111 PolarHBondContact O-N 3.17Å; K108-F111 PolarHBondContact O-N 3.26Å; K108-F111 VanDerWaalsContact O-N 3.09Å; F111-K113 VanDerWaalsContact C-N 3.32Å; F111-K113 PolarHBondContact O-N 2.79Å; F111-V114 PolarHBondContact O-N 3.13Å; F111-A115 WeakPolarHBondContact O-CB 3.3Å; F111-A115 PolarHBondContact O-N 2.8Å
112	E	77.2	Confident	69.1	Low	82 Å²	82	53.7 Å²	53.7	38%	0.383	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-37.2	175.9	-72.1	178	177.1	0	0	111.7	V29 K108 W110 T116	V29-E112 HydrophobicContact CG2-CG 4.04Å; K108-E112 WeakPolarHBondContact CE-OE1 3.47Å; K108-E112 IonicContact NZ-OE1 3.93Å; K108-E112 WeakPolarHBondContact O-CG 3.24Å; K108-E112 PolarHBondContact O-N 2.91Å; W110-E112 VanDerWaalsContact C-N 3.29Å; W110-E112 PolarHBondContact O-N 2.87Å; E112-T116 WeakPolarHBondContact O-CB 3.11Å; E112-T116 PolarHBondContact O-N 3Å; E112-T116 PolarHBondContact O-OG1 2.78Å
113	K	73.5	Confident	69	Low	85 Å²	85	58 Å²	58	37%	0.37	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-43.2	171.8	-77.6	-171.1	174	-161.7	0	113.1	N100 M105 D109 W110 F111 T116 F117	N100-K113 HydrophobicContact CB-CD 4.27Å; M105-K113 HydrophobicContact CE-CD 3.89Å; M105-K113 HydrophobicContact SD-CD 4.29Å; D109-K113 WeakPolarHBondContact O-CG 3.45Å; D109-K113 PolarHBondContact O-N 2.97Å; W110-K113 WeakPolarHBondContact O-CB 3.44Å; W110-K113 PolarHBondContact O-N 3.41Å; F111-K113 VanDerWaalsContact C-N 3.32Å; F111-K113 PolarHBondContact O-N 2.79Å; K113-T116 PolarHBondContact O-N 2.84Å; K113-F117 PolarHBondContact O-N 3.04Å
114	V	69.9	Low	68.6	Low	1 Å²	1	55 Å²	55	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-43.6	176.1	177.2	0	0	0	0	110.3	L50 F65 F96 W110 F111 T116 F117 F118	L50-V114 HydrophobicContact CD2-CB 4.34Å; L50-V114 HydrophobicContact CD2-CG1 3.62Å; F65-V114 HydrophobicContact CE1-CG1 4.27Å; F96-V114 HydrophobicContact CE1-CG2 4.37Å; W110-V114 HydrophobicContact CD2-CG2 4.22Å; W110-V114 HydrophobicContact CE3-CG2 4.36Å; W110-V114 HydrophobicContact CH2-CG2 4.23Å; W110-V114 HydrophobicContact CZ2-CG2 4.07Å; W110-V114 HydrophobicContact CZ3-CG2 4.37Å; W110-V114 WeakPolarHBondContact O-CG2 3.33Å; W110-V114 PolarHBondContact O-N 2.78Å; F111-V114 PolarHBondContact O-N 3.13Å; V114-T116 VanDerWaalsContact C-N 3.28Å; V114-T116 PolarHBondContact O-N 2.94Å; V114-F117 WeakPolarHBondContact O-CB 3.35Å; V114-F117 PolarHBondContact O-N 2.69Å; V114-F117 VanDerWaalsContact O-N 3.15Å; V114-F118 HydrophobicContact CG1-CD2 3.85Å; V114-F118 HydrophobicContact CG1-CE2 3.66Å; V114-F118 WeakPolarHBondContact O-CD2 3Å; V114-F118 PolarHBondContact O-N 3.49Å; V114-F118 VanDerWaalsContact O-N 3.14Å
115	A	72.7	Confident	67.7	Low	15 Å²	15	54.9 Å²	54.9	12%	0.124	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-41.1	174.7	0	0	0	0	0	112.3	A27 V29 L50 F111 F118 A119	A27-A115 WeakPolarHBondContact O-CB 3.47Å; V29-A115 HydrophobicContact CG2-CB 3.97Å; L50-A115 HydrophobicContact CD1-CB 4.02Å; F111-A115 WeakPolarHBondContact O-CB 3.3Å; F111-A115 PolarHBondContact O-N 2.8Å; A115-F118 CarbonylContact O-C 3.21Å; A115-F118 PolarHBondContact O-N 2.84Å; A115-A119 PolarHBondContact O-N 2.91Å
116	T	76.1	Confident	66.4	Low	98 Å²	98	56.3 Å²	56.3	60%	0.601	29%	0.291	S	S	*	.	H	α-helix	trans	-65.1	-38.9	175.8	-56.5	0	0	0	0	112.1	E112 K113 V114 F118 A119	E112-T116 WeakPolarHBondContact O-CB 3.11Å; E112-T116 PolarHBondContact O-N 3Å; E112-T116 PolarHBondContact O-OG1 2.78Å; K113-T116 PolarHBondContact O-N 2.84Å; V114-T116 VanDerWaalsContact C-N 3.28Å; V114-T116 PolarHBondContact O-N 2.94Å; T116-F118 VanDerWaalsContact C-N 3.27Å; T116-F118 PolarHBondContact O-N 3.03Å; T116-A119 WeakPolarHBondContact O-CB 3.26Å; T116-A119 PolarHBondContact O-N 3.38Å
117	F	69.6	Low	64.9	Low	52 Å²	52	56.6 Å²	56.6	23%	0.228	29%	0.292	C	S	.	.	H	α-helix	trans	-57.9	-42.4	173.4	177.7	-104.1	0	0	0	111.5	L93 F96 K113 V114 A119 I124	L93-F117 HydrophobicContact CD1-CD1 4.17Å; L93-F117 HydrophobicContact CD1-CE1 4.01Å; F96-F117 HydrophobicContact CB-CD2 4.27Å; F96-F117 HydrophobicContact CB-CE2 4.08Å; F96-F117 HydrophobicContact CB-CZ 4.23Å; F96-F117 HydrophobicContact CD1-CB 3.96Å; F96-F117 HydrophobicContact CD1-CD1 4.3Å; F96-F117 HydrophobicContact CD1-CD2 4.12Å; F96-F117 AromaticContact CD1-CG 3.87Å; F96-F117 HydrophobicContact CD1-CG 3.87Å; F96-F117 HydrophobicContact CD2-CB 4.3Å; F96-F117 AromaticContact CD2-CD2 3.3Å; F96-F117 HydrophobicContact CD2-CD2 3.3Å; F96-F117 AromaticContact CD2-CE2 3.73Å; F96-F117 HydrophobicContact CD2-CE2 3.73Å; F96-F117 AromaticContact CD2-CG 3.92Å; F96-F117 HydrophobicContact CD2-CG 3.92Å; F96-F117 HydrophobicContact CE1-CB 3.58Å; F96-F117 HydrophobicContact CE1-CD2 4.36Å; F96-F117 HydrophobicContact CE1-CG 4.01Å; F96-F117 HydrophobicContact CE2-CB 3.93Å; F96-F117 AromaticContact CE2-CD2 3.57Å; F96-F117 HydrophobicContact CE2-CD2 3.57Å; F96-F117 HydrophobicContact CE2-CE2 4.41Å; F96-F117 HydrophobicContact CE2-CG 4.03Å; F96-F117 HydrophobicContact CG-CB 4.32Å; F96-F117 HydrophobicContact CG-CD1 4.35Å; F96-F117 AromaticContact CG-CD2 3.61Å; F96-F117 HydrophobicContact CG-CD2 3.61Å; F96-F117 AromaticContact CG-CE2 3.92Å; F96-F117 HydrophobicContact CG-CE2 3.92Å; F96-F117 AromaticContact CG-CG 3.84Å; F96-F117 HydrophobicContact CG-CG 3.84Å; F96-F117 HydrophobicContact CG-CZ 4.41Å; F96-F117 HydrophobicContact CZ-CB 3.57Å; F96-F117 HydrophobicContact CZ-CD2 4.11Å; F96-F117 HydrophobicContact CZ-CG 4.1Å; K113-F117 PolarHBondContact O-N 3.04Å; V114-F117 WeakPolarHBondContact O-CB 3.35Å; V114-F117 PolarHBondContact O-N 2.69Å; V114-F117 VanDerWaalsContact O-N 3.15Å; F117-A119 PolarHBondContact O-N 2.76Å; F117-I124 HydrophobicContact CD1-CD1 3.85Å; F117-I124 HydrophobicContact CD1-CG1 4.42Å; F117-I124 HydrophobicContact CE1-CD1 3.69Å; F117-I124 HydrophobicContact CE1-CG1 3.87Å; F117-I124 HydrophobicContact CE1-CG2 4.31Å; F117-I124 HydrophobicContact CZ-CD1 4.32Å; F117-I124 HydrophobicContact CZ-CG1 4.01Å; F117-I124 WeakPolarHBondContact O-CD1 3.37Å
118	F	69.4	Low	63.6	Low	9 Å²	9	60.1 Å²	60.1	4%	0.039	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.6	175.7	-72.5	-71.5	0	0	0	115	L21 F25 A27 F52 L93 V114 A115 T116 E120 I124	L21-F118 HydrophobicContact CD1-CD1 3.65Å; L21-F118 HydrophobicContact CD1-CE1 3.74Å; F25-F118 HydrophobicContact CD1-CD1 4.17Å; F25-F118 HydrophobicContact CE1-CB 4.38Å; F25-F118 AromaticContact CE1-CD1 3.49Å; F25-F118 HydrophobicContact CE1-CD1 3.49Å; F25-F118 VanDerWaalsContact CE1-CD1 3.49Å; F25-F118 AromaticContact CE1-CE1 3.93Å; F25-F118 HydrophobicContact CE1-CE1 3.93Å; F25-F118 HydrophobicContact CE1-CG 4.11Å; F25-F118 HydrophobicContact CZ-CD1 4.49Å; A27-F118 HydrophobicContact CB-CB 3.69Å; A27-F118 HydrophobicContact CB-CD2 3.95Å; A27-F118 HydrophobicContact CB-CG 4.05Å; F52-F118 HydrophobicContact CE1-CD1 4.49Å; F52-F118 AromaticContact CE1-CD2 3.77Å; F52-F118 HydrophobicContact CE1-CD2 3.77Å; F52-F118 HydrophobicContact CE1-CE1 4.27Å; F52-F118 AromaticContact CE1-CE2 3.56Å; F52-F118 HydrophobicContact CE1-CE2 3.56Å; F52-F118 HydrophobicContact CE1-CG 4.24Å; F52-F118 AromaticContact CE1-CZ 3.8Å; F52-F118 HydrophobicContact CE1-CZ 3.8Å; F52-F118 HydrophobicContact CZ-CE2 4.02Å; F52-F118 HydrophobicContact CZ-CZ 4.38Å; L93-F118 HydrophobicContact CD1-CE1 4.35Å; L93-F118 HydrophobicContact CD1-CE2 3.53Å; L93-F118 HydrophobicContact CD1-CZ 3.32Å; L93-F118 HydrophobicContact CD2-CZ 3.79Å; L93-F118 HydrophobicContact CG-CZ 4.19Å; V114-F118 HydrophobicContact CG1-CD2 3.85Å; V114-F118 HydrophobicContact CG1-CE2 3.66Å; V114-F118 WeakPolarHBondContact O-CD2 3Å; V114-F118 PolarHBondContact O-N 3.49Å; V114-F118 VanDerWaalsContact O-N 3.14Å; A115-F118 CarbonylContact O-C 3.21Å; A115-F118 PolarHBondContact O-N 2.84Å; T116-F118 VanDerWaalsContact C-N 3.27Å; T116-F118 PolarHBondContact O-N 3.03Å; F118-E120 VanDerWaalsContact C-N 3.26Å; F118-I124 HydrophobicContact CB-CD1 4.45Å; F118-I124 HydrophobicContact CD1-CD1 3.35Å; F118-I124 HydrophobicContact CE1-CD1 3.85Å; F118-I124 HydrophobicContact CG-CD1 4.09Å
119	A	71.2	Confident	61.8	Low	70 Å²	70	58.9 Å²	58.9	58%	0.579	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-16.8	174.8	0	0	0	0	0	113	A115 T116 F117 P121	A115-A119 PolarHBondContact O-N 2.91Å; T116-A119 WeakPolarHBondContact O-CB 3.26Å; T116-A119 PolarHBondContact O-N 3.38Å; F117-A119 PolarHBondContact O-N 2.76Å; A119-P121 VanDerWaalsContact O-CD 3.22Å; A119-P121 WeakPolarHBondContact O-CD 3.49Å
120	E	69.6	Low	59.8	Low	93 Å²	93	60.5 Å²	60.5	44%	0.435	31%	0.311	S	S	.	.	S	Bend	trans	-115.6	61.8	176	-57.9	-173	144.9	0	0	110.4	F118 E122 K123	F118-E120 VanDerWaalsContact C-N 3.26Å; E120-E122 VanDerWaalsContact C-OE2 3.28Å; E120-E122 PolarHBondContact O-N 3.33Å; E120-E122 VanDerWaalsContact O-N 3.09Å; E120-K123 HydrophobicContact CB-CD 4.2Å; E120-K123 HydrophobicContact CB-CG 4.33Å; E120-K123 PolarHBondContact O-N 3.33Å; E120-K123 IonicContact OE1-NZ 2.69Å; E120-K123 PolarHBondContact OE1-NZ 3.14Å; E120-K123 VanDerWaalsContact OE2-CD 3.27Å; E120-K123 WeakPolarHBondContact OE2-CD 3.38Å; E120-K123 VanDerWaalsContact OE2-CE 3.28Å; E120-K123 WeakPolarHBondContact OE2-CE 3.39Å; E120-K123 IonicContact OE2-NZ 2.85Å; E120-K123 PolarHBondContact OE2-NZ 2.85Å
121	P	62.3	Low	57.9	Low	6 Å²	6	65.8 Å²	65.8	4%	0.039	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-57	-29.6	-170.8	24.5	-35.3	0	0	0	113.6	L21 F25 A119 K123 I124	L21-P121 HydrophobicContact CB-CB 3.62Å; L21-P121 WeakPolarHBondContact CB-O 3.43Å; L21-P121 HydrophobicContact CD1-CB 4.4Å; L21-P121 PolarHBondContact N-O 3.38Å; F25-P121 HydrophobicContact CB-CB 4.18Å; A119-P121 VanDerWaalsContact O-CD 3.22Å; A119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-K123 PolarHBondContact O-N 3.02Å; P121-I124 PolarHBondContact O-N 3.36Å
122	E	60.6	Low	56	Low	97 Å²	97	74.1 Å²	74.1	45%	0.453	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-67.1	-18.8	179	72.9	-71.7	169.4	0	0	114.3	N20 E120	N20-E122 PolarHBondContact ND2-O 2.98Å; E120-E122 VanDerWaalsContact C-OE2 3.28Å; E120-E122 PolarHBondContact O-N 3.33Å; E120-E122 VanDerWaalsContact O-N 3.09Å
123	K	62	Low	53.8	Low	129 Å²	129	77.6 Å²	77.6	56%	0.561	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-94.8	-11.1	178.6	-58.9	-172.9	-162.6	165.4	0	113.2	E120 P121 Q125	E120-K123 HydrophobicContact CB-CD 4.2Å; E120-K123 HydrophobicContact CB-CG 4.33Å; E120-K123 PolarHBondContact O-N 3.33Å; E120-K123 IonicContact OE1-NZ 2.69Å; E120-K123 PolarHBondContact OE1-NZ 3.14Å; E120-K123 VanDerWaalsContact OE2-CD 3.27Å; E120-K123 WeakPolarHBondContact OE2-CD 3.38Å; E120-K123 VanDerWaalsContact OE2-CE 3.28Å; E120-K123 WeakPolarHBondContact OE2-CE 3.39Å; E120-K123 IonicContact OE2-NZ 2.85Å; E120-K123 PolarHBondContact OE2-NZ 2.85Å; P121-K123 PolarHBondContact O-N 3.02Å; K123-Q125 PolarHBondContact O-N 2.95Å
124	I	56.3	Low	51.7	Low	9 Å²	9	77.4 Å²	77.4	5%	0.046	39%	0.388	C	S	.	.			trans	-82.7	115.4	-176.3	-64	176.2	0	0	0	109.2	N20 L21 F117 F118 P121	N20-I124 WeakPolarHBondContact CA-O 3.46Å; L21-I124 HydrophobicContact CD1-CB 3.94Å; L21-I124 HydrophobicContact CD1-CD1 3.7Å; L21-I124 HydrophobicContact CD1-CG1 4.38Å; L21-I124 HydrophobicContact CD1-CG2 3.9Å; L21-I124 HydrophobicContact CG-CB 4.28Å; L21-I124 HydrophobicContact CG-CG2 4.27Å; F117-I124 HydrophobicContact CD1-CD1 3.85Å; F117-I124 HydrophobicContact CD1-CG1 4.42Å; F117-I124 HydrophobicContact CE1-CD1 3.69Å; F117-I124 HydrophobicContact CE1-CG1 3.87Å; F117-I124 HydrophobicContact CE1-CG2 4.31Å; F117-I124 HydrophobicContact CZ-CD1 4.32Å; F117-I124 HydrophobicContact CZ-CG1 4.01Å; F117-I124 WeakPolarHBondContact O-CD1 3.37Å; F118-I124 HydrophobicContact CB-CD1 4.45Å; F118-I124 HydrophobicContact CD1-CD1 3.35Å; F118-I124 HydrophobicContact CE1-CD1 3.85Å; F118-I124 HydrophobicContact CG-CD1 4.09Å; P121-I124 PolarHBondContact O-N 3.36Å
125	Q	49.3	Very low	49.7	Very low	119 Å²	119	83.2 Å²	83.2	56%	0.556	42%	0.419	S	S	*	.	B	Isolated β-bridge	trans	-87.3	123.2	172.5	-67.2	-169.7	-1.4	0	0	111.1	N19 K123 V127	N19-Q125 VanDerWaalsContact O-CA 3.3Å; N19-Q125 WeakPolarHBondContact O-CA 3.45Å; K123-Q125 PolarHBondContact O-N 2.95Å; Q125-V127 PolarHBondContact O-N 3.08Å
126	L	47.8	Very low	47.5	Very low	52 Å²	52	88.7 Å²	88.7	27%	0.272	44%	0.437	S	S	.	.			trans	-82.4	105	170.7	-70	178.2	0	0	0	109.5	W17 N19 L21	W17-L126 HydrophobicContact CB-CD1 4.22Å; N19-L126 PolarHBondContact O-N 3.09Å; L21-L126 HydrophobicContact CD2-CD1 3.95Å; L21-L126 HydrophobicContact CD2-CD2 4.33Å; L21-L126 HydrophobicContact CD2-CG 4.27Å
127	V	38	Very low	45.2	Very low	69 Å²	69	88.8 Å²	88.8	42%	0.418	44%	0.438	S	S	.	.			trans	-84.1	126.3	171.7	-173.2	0	0	0	0	109	D91 Q125 T129	D91-V127 HydrophobicContact CB-CB 4.38Å; Q125-V127 PolarHBondContact O-N 3.08Å; V127-T129 PolarHBondContact O-N 2.77Å; V127-T129 VanDerWaalsContact O-N 3.13Å
128	K	36	Very low	43	Very low	118 Å²	118	94.6 Å²	94.6	51%	0.513	47%	0.466	S	S	.	.			trans	-60.9	114.3	175	-164.7	173.8	-174.5	174.2	0	109.8	N130 Y136 T137	K128-N130 PolarHBondContact O-N 3.37Å; K128-Y136 WeakPolarHBondContact CE-O 3.46Å; K128-Y136 PolarHBondContact NZ-O 2.78Å; K128-T137 VanDerWaalsContact NZ-CG2 3.32Å
129	T	31.6	Very low	40.9	Very low	52 Å²	52	104.2 Å²	104.2	32%	0.319	50%	0.502	S	S	.	.			trans	-73.1	120.2	-178.7	44	0	0	0	0	111.2	D91 V127 Y131	D91-T129 HydrophobicContact CB-CG2 4.46Å; V127-T129 PolarHBondContact O-N 2.77Å; V127-T129 VanDerWaalsContact O-N 3.13Å; T129-Y131 PolarHBondContact O-N 2.89Å; T129-Y131 VanDerWaalsContact O-N 3.11Å
130	N	27.6	Very low	38.9	Very low	104 Å²	104	104.9 Å²	104.9	56%	0.556	50%	0.5	S	S	*	.			trans	-72.3	93	162.1	-83.2	-15.3	0	0	0	108.6	K128 N135	K128-N130 PolarHBondContact O-N 3.37Å; N130-N135 PolarHBondContact OD1-OD1 3.17Å
131	Y	28.2	Very low	36.9	Very low	114 Å²	114	108.1 Å²	108.1	45%	0.447	52%	0.521	S	S	.	.	S	Bend	trans	-85.1	114.4	169	-166.2	-100	0	0	0	109.5	T129	T129-Y131 PolarHBondContact O-N 2.89Å; T129-Y131 VanDerWaalsContact O-N 3.11Å
132	R	28	Very low	35.2	Very low	182 Å²	182	110.7 Å²	110.7	69%	0.687	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	53.8	177	-59.7	-177.5	-175.3	-179.1	5.8	114.8	N134	R132-N134 PolarHBondContact O-N 2.83Å
133	D	30.1	Very low	33.9	Very low	155 Å²	155	110.2 Å²	110.2	83%	0.829	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	11.8	171.4	-60.4	-34.9	0	0	0	116.6
134	N	28.7	Very low	32.4	Very low	82 Å²	82	113 Å²	113	44%	0.439	56%	0.56	S	S	.	*			trans	-95.2	114.6	173.2	-70.4	-39.8	0	0	0	110	R132 Y136	R132-N134 PolarHBondContact O-N 2.83Å; N134-Y136 HydrophobicContact CB-CD2 4.06Å; N134-Y136 HydrophobicContact CB-CE1 4.28Å; N134-Y136 HydrophobicContact CB-CE2 3.5Å; N134-Y136 PolarHBondContact ND2-OH 2.83Å; N134-Y136 WeakPolarHBondContact O-CD2 3.3Å; N134-Y136 PolarHBondContact O-N 3.48Å
135	N	27.8	Very low	31.5	Very low	123 Å²	123	116.2 Å²	116.2	66%	0.658	58%	0.584	S	S	*	*			trans	-68.9	92.1	165.6	-76.6	-35.2	0	0	0	108.8	N130 T137	N130-N135 PolarHBondContact OD1-OD1 3.17Å; N135-T137 PolarHBondContact O-N 2.82Å
136	Y	28.2	Very low	30.7	Very low	130 Å²	130	113 Å²	113	51%	0.51	57%	0.572	S	S	.	*			trans	-77	65.4	171.4	-64.5	-77.7	0	0	0	110.7	K128 N134 E138	K128-Y136 WeakPolarHBondContact CE-O 3.46Å; K128-Y136 PolarHBondContact NZ-O 2.78Å; N134-Y136 HydrophobicContact CB-CD2 4.06Å; N134-Y136 HydrophobicContact CB-CE1 4.28Å; N134-Y136 HydrophobicContact CB-CE2 3.5Å; N134-Y136 PolarHBondContact ND2-OH 2.83Å; N134-Y136 WeakPolarHBondContact O-CD2 3.3Å; N134-Y136 PolarHBondContact O-N 3.48Å; Y136-E138 VanDerWaalsContact C-N 3.34Å; Y136-E138 PolarHBondContact O-N 2.75Å
137	T	26.9	Very low	30	Very low	99 Å²	99	118.5 Å²	118.5	61%	0.607	60%	0.596	S	S	*	*			trans	-93.6	62.7	167.1	45.8	0	0	0	0	110.4	K128 N135	K128-T137 VanDerWaalsContact NZ-CG2 3.32Å; N135-T137 PolarHBondContact O-N 2.82Å
138	E	23.5	Very low	30.1	Very low	175 Å²	175	121.3 Å²	121.3	82%	0.818	60%	0.603	S	S	*	*			trans	-156.7	115.8	164.2	-111.8	158.2	-144.7	0	0	109.9	Y136	Y136-E138 VanDerWaalsContact C-N 3.34Å; Y136-E138 PolarHBondContact O-N 2.75Å
139	R	24.9	Very low	30.1	Very low	211 Å²	211	123.9 Å²	123.9	80%	0.796	62%	0.621	S	S	*	*			trans	-48.3	136.2	149.9	-86.3	178.9	166.9	173.5	-4.2	106.2	N141	R139-N141 VanDerWaalsContact C-N 3.29Å; R139-N141 PolarHBondContact O-N 3.44Å
140	P	28.9	Very low	30.9	Very low	84 Å²	84	124.6 Å²	124.6	55%	0.545	62%	0.62	S	S	.	*			trans	-55.8	108	149.2	-11.9	26	0	0	0	105.3	G142	P140-G142 PolarHBondContact O-N 2.93Å
141	N	27.9	Very low	32.4	Very low	161 Å²	161	126.7 Å²	126.7	86%	0.861	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.2	109.4	171.4	-83.8	-31.3	0	0	0	107.3	R139	R139-N141 VanDerWaalsContact C-N 3.29Å; R139-N141 PolarHBondContact O-N 3.44Å
142	G	27.8	Very low	33.9	Very low	60 Å²	60	123.9 Å²	123.9	62%	0.619	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	141.5	-29.9	172.3	0	0	0	0	0	116.7	P140 K144	P140-G142 PolarHBondContact O-N 2.93Å; G142-K144 VanDerWaalsContact C-N 3.32Å; G142-K144 PolarHBondContact O-N 2.7Å
143	L	31.6	Very low	35.5	Very low	87 Å²	87	118 Å²	118	46%	0.455	61%	0.611	S	S	.	*			trans	-73	91.4	176.2	-71	174.5	0	0	0	109.4	S145	L143-S145 PolarHBondContact O-N 3.32Å
144	K	32.1	Very low	37.4	Very low	187 Å²	187	114.1 Å²	114.1	81%	0.813	59%	0.588	S	S	*	*			trans	-60.8	106	159.9	-74.8	-178.9	-178.5	173.1	0	105.9	G142 T146	G142-K144 VanDerWaalsContact C-N 3.32Å; G142-K144 PolarHBondContact O-N 2.7Å; K144-T146 PolarHBondContact O-N 2.98Å
145	S	36	Very low	39	Very low	77 Å²	77	114.1 Å²	114.1	54%	0.538	59%	0.586	S	S	.	*			trans	-55.1	106.8	160.1	171.7	0	0	0	0	107.1	L143 H147	L143-S145 PolarHBondContact O-N 3.32Å; S145-H147 PolarHBondContact O-N 2.65Å; S145-H147 VanDerWaalsContact O-N 3.11Å; S145-H147 PolarHBondContact OG-CE1 3.13Å; S145-H147 PolarHBondContact OG-ND1 3.4Å; S145-H147 VanDerWaalsContact OG-ND1 3.17Å
146	T	32.4	Very low	40.6	Very low	52 Å²	52	109.4 Å²	109.4	32%	0.319	56%	0.563	S	S	.	*			trans	-81.8	79.7	169.9	46	0	0	0	0	106.8	K144 K148 D163	K144-T146 PolarHBondContact O-N 2.98Å; T146-K148 HydrophobicContact CG2-CD 4.49Å; T146-K148 PolarHBondContact O-N 3.21Å; T146-D163 PolarHBondContact OG1-OD2 2.94Å
147	H	34.7	Very low	42.4	Very low	167 Å²	167	103.9 Å²	103.9	77%	0.773	54%	0.543	S	S	*	.			trans	-66	70.6	155.7	-68.3	-16.3	0	0	0	108.3	S145	S145-H147 PolarHBondContact O-N 2.65Å; S145-H147 VanDerWaalsContact O-N 3.11Å; S145-H147 PolarHBondContact OG-CE1 3.13Å; S145-H147 PolarHBondContact OG-ND1 3.4Å; S145-H147 VanDerWaalsContact OG-ND1 3.17Å
148	K	39.4	Very low	44.6	Very low	128 Å²	128	104.5 Å²	104.5	56%	0.557	54%	0.542	S	S	*	.			trans	-98.8	123.2	168.9	-71.9	-179.2	-177.2	172.7	0	106.6	T146 F150	T146-K148 HydrophobicContact CG2-CD 4.49Å; T146-K148 PolarHBondContact O-N 3.21Å; K148-F150 HydrophobicContact CB-CD2 4.48Å; K148-F150 HydrophobicContact CB-CE1 4.02Å; K148-F150 HydrophobicContact CB-CE2 3.76Å; K148-F150 HydrophobicContact CB-CZ 3.49Å; K148-F150 VanDerWaalsContact CB-CZ 3.49Å; K148-F150 HydrophobicContact CD-CE1 4.46Å; K148-F150 HydrophobicContact CD-CZ 4.22Å; K148-F150 HydrophobicContact CG-CZ 4.49Å; K148-F150 WeakPolarHBondContact O-CD2 3.4Å; K148-F150 WeakPolarHBondContact O-CE2 3.48Å
149	L	36.4	Very low	46.5	Very low	171 Å²	171	97.3 Å²	97.3	90%	0.895	51%	0.513	S	S	*	.			trans	-75	128.2	164.9	-67.1	170.3	0	0	0	107.1
150	F	48.2	Very low	48.3	Very low	67 Å²	67	91.6 Å²	91.6	29%	0.294	50%	0.497	S	S	.	.			trans	-108.9	146.7	176.6	-59.5	-81.5	0	0	0	109	K148 T152 E155 A156 A159	K148-F150 HydrophobicContact CB-CD2 4.48Å; K148-F150 HydrophobicContact CB-CE1 4.02Å; K148-F150 HydrophobicContact CB-CE2 3.76Å; K148-F150 HydrophobicContact CB-CZ 3.49Å; K148-F150 VanDerWaalsContact CB-CZ 3.49Å; K148-F150 HydrophobicContact CD-CE1 4.46Å; K148-F150 HydrophobicContact CD-CZ 4.22Å; K148-F150 HydrophobicContact CG-CZ 4.49Å; K148-F150 WeakPolarHBondContact O-CD2 3.4Å; K148-F150 WeakPolarHBondContact O-CE2 3.48Å; F150-T152 VanDerWaalsContact C-N 3.3Å; F150-E155 HydrophobicContact CB-CB 3.95Å; F150-E155 HydrophobicContact CD1-CB 4.06Å; F150-E155 HydrophobicContact CG-CB 4.37Å; F150-A156 HydrophobicContact CB-CB 3.87Å; F150-A156 VanDerWaalsContact CD2-CA 3.46Å; F150-A156 HydrophobicContact CD2-CB 3.44Å; F150-A156 VanDerWaalsContact CD2-CB 3.44Å; F150-A156 HydrophobicContact CE2-CB 4.13Å; F150-A156 VanDerWaalsContact CG-CA 3.49Å; F150-A156 HydrophobicContact CG-CB 3.75Å; F150-A159 HydrophobicContact CD1-CB 4.31Å; F150-A159 HydrophobicContact CE1-CB 3.29Å; F150-A159 HydrophobicContact CE2-CB 4.26Å; F150-A159 HydrophobicContact CZ-CB 3.25Å
151	N	59	Low	50.3	Low	149 Å²	149	88.4 Å²	88.4	80%	0.797	48%	0.476	S	S	*	.	S	Bend	trans	-76.1	-25.6	-177.8	-59.8	-55.7	0	0	0	111.4	E155	N151-E155 WeakPolarHBondContact CB-OE2 2.78Å; N151-E155 PolarHBondContact N-OE2 2.96Å
152	T	60.3	Low	52.5	Low	55 Å²	55	83.3 Å²	83.3	34%	0.337	46%	0.456	S	S	.	.	S	Bend	trans	-133	152.8	178.7	69.3	0	0	0	0	111.6	F150 E154 E155 A156	F150-T152 VanDerWaalsContact C-N 3.3Å; T152-E154 WeakPolarHBondContact CB-OE2 3.11Å; T152-E154 PolarHBondContact O-N 3.47Å; T152-E155 PolarHBondContact O-N 3.02Å; T152-E155 WeakPolarHBondContact OG1-CB 3.08Å; T152-E155 WeakPolarHBondContact OG1-CG 3.46Å; T152-E155 PolarHBondContact OG1-N 2.97Å; T152-E155 VanDerWaalsContact OG1-N 3.07Å; T152-A156 PolarHBondContact O-N 3.16Å
153	P	59.8	Low	54.4	Low	58 Å²	58	83.2 Å²	83.2	38%	0.377	44%	0.442	S	S	.	.	H	α-helix	trans	-57	-34.6	170.2	-24.1	33.9	0	0	0	112.8	A156 I157 V183 V193	P153-A156 WeakPolarHBondContact O-CB 3.49Å; P153-A156 PolarHBondContact O-N 3.29Å; P153-I157 WeakPolarHBondContact O-CD1 3.33Å; P153-I157 WeakPolarHBondContact O-CG1 3.02Å; P153-I157 PolarHBondContact O-N 2.75Å; P153-V183 HydrophobicContact CB-CG2 3.83Å; P153-V193 HydrophobicContact CB-CG2 3.81Å
154	E	71.4	Confident	55.8	Low	73 Å²	73	80.4 Å²	80.4	34%	0.341	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-45.6	177.2	-65.4	83.7	172.1	0	0	111.9	T152 A156 I157 D158 V183	T152-E154 WeakPolarHBondContact CB-OE2 3.11Å; T152-E154 PolarHBondContact O-N 3.47Å; E154-A156 VanDerWaalsContact C-N 3.3Å; E154-A156 PolarHBondContact O-N 3.2Å; E154-I157 PolarHBondContact O-N 3.19Å; E154-D158 PolarHBondContact O-N 3.36Å; E154-V183 HydrophobicContact CG-CG2 3.87Å; E154-V183 WeakPolarHBondContact OE1-CG2 3.23Å
155	E	62.2	Low	57.8	Low	83 Å²	83	76.1 Å²	76.1	39%	0.388	41%	0.408	S	S	.	.	H	α-helix	trans	-59.9	-40.8	174.2	-78.3	174.3	-178.7	0	0	112	F150 N151 T152 D158 A159	F150-E155 HydrophobicContact CB-CB 3.95Å; F150-E155 HydrophobicContact CD1-CB 4.06Å; F150-E155 HydrophobicContact CG-CB 4.37Å; N151-E155 WeakPolarHBondContact CB-OE2 2.78Å; N151-E155 PolarHBondContact N-OE2 2.96Å; T152-E155 PolarHBondContact O-N 3.02Å; T152-E155 WeakPolarHBondContact OG1-CB 3.08Å; T152-E155 WeakPolarHBondContact OG1-CG 3.46Å; T152-E155 PolarHBondContact OG1-N 2.97Å; T152-E155 VanDerWaalsContact OG1-N 3.07Å; E155-D158 PolarHBondContact O-N 2.96Å; E155-A159 WeakPolarHBondContact O-CB 3.24Å; E155-A159 PolarHBondContact O-N 3.33Å
156	A	61.6	Low	59.5	Low	23 Å²	23	80 Å²	80	19%	0.19	42%	0.418	C	S	.	.	H	α-helix	trans	-64.2	-44	177.1	0	0	0	0	0	111.7	F150 T152 P153 E154 A159 I160	F150-A156 HydrophobicContact CB-CB 3.87Å; F150-A156 VanDerWaalsContact CD2-CA 3.46Å; F150-A156 HydrophobicContact CD2-CB 3.44Å; F150-A156 VanDerWaalsContact CD2-CB 3.44Å; F150-A156 HydrophobicContact CE2-CB 4.13Å; F150-A156 VanDerWaalsContact CG-CA 3.49Å; F150-A156 HydrophobicContact CG-CB 3.75Å; T152-A156 PolarHBondContact O-N 3.16Å; P153-A156 WeakPolarHBondContact O-CB 3.49Å; P153-A156 PolarHBondContact O-N 3.29Å; E154-A156 VanDerWaalsContact C-N 3.3Å; E154-A156 PolarHBondContact O-N 3.2Å; A156-A159 PolarHBondContact O-N 3.01Å; A156-I160 WeakPolarHBondContact O-CB 3.46Å; A156-I160 WeakPolarHBondContact O-CD1 3.41Å; A156-I160 VanDerWaalsContact O-CG1 3.23Å; A156-I160 WeakPolarHBondContact O-CG1 2.99Å; A156-I160 PolarHBondContact O-N 2.79Å
157	I	65.8	Low	61	Low	15 Å²	15	81.4 Å²	81.4	8%	0.077	42%	0.42	C	S	.	.	H	α-helix	trans	-61.2	-48.4	177.9	-69.6	163.1	0	0	0	110.3	P153 E154 A159 I160 V161 V180 P181 V183 V193	P153-I157 WeakPolarHBondContact O-CD1 3.33Å; P153-I157 WeakPolarHBondContact O-CG1 3.02Å; P153-I157 PolarHBondContact O-N 2.75Å; E154-I157 PolarHBondContact O-N 3.19Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 3.03Å; I157-I160 PolarHBondContact O-N 3.31Å; I157-V161 HydrophobicContact CG2-CG2 4.24Å; I157-V161 WeakPolarHBondContact O-CB 3.29Å; I157-V161 WeakPolarHBondContact O-CG2 3.34Å; I157-V161 PolarHBondContact O-N 3.01Å; I157-V180 HydrophobicContact CG2-CG1 3.51Å; I157-P181 HydrophobicContact CD1-CB 3.94Å; I157-P181 HydrophobicContact CG1-CB 3.95Å; I157-P181 HydrophobicContact CG1-CG 4.35Å; I157-P181 HydrophobicContact CG2-CB 4.4Å; I157-P181 HydrophobicContact CG2-CG 4.46Å; I157-V183 HydrophobicContact CD1-CG2 3.88Å; I157-V193 HydrophobicContact CD1-CG1 3.95Å; I157-V193 HydrophobicContact CG1-CG1 4.44Å
158	D	73	Confident	62.4	Low	112 Å²	112	75.6 Å²	75.6	60%	0.599	39%	0.392	S	S	*	.	H	α-helix	trans	-62.5	-40.6	-178.7	-76.2	-18.8	0	0	0	112.1	E154 E155 V161 A162	E154-D158 PolarHBondContact O-N 3.36Å; E155-D158 PolarHBondContact O-N 2.96Å; D158-V161 PolarHBondContact O-N 2.84Å; D158-A162 WeakPolarHBondContact O-CB 3.29Å; D158-A162 PolarHBondContact O-N 2.86Å
159	A	63.5	Low	64	Low	24 Å²	24	74.3 Å²	74.3	20%	0.198	39%	0.391	C	S	.	.	H	α-helix	trans	-65.7	-44.8	176.4	0	0	0	0	0	112.5	F150 E155 A156 I157 V161 A162 D163	F150-A159 HydrophobicContact CD1-CB 4.31Å; F150-A159 HydrophobicContact CE1-CB 3.29Å; F150-A159 HydrophobicContact CE2-CB 4.26Å; F150-A159 HydrophobicContact CZ-CB 3.25Å; E155-A159 WeakPolarHBondContact O-CB 3.24Å; E155-A159 PolarHBondContact O-N 3.33Å; A156-A159 PolarHBondContact O-N 3.01Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 3.03Å; A159-V161 VanDerWaalsContact C-N 3.32Å; A159-V161 PolarHBondContact O-N 3.07Å; A159-A162 WeakPolarHBondContact O-CB 3.29Å; A159-A162 PolarHBondContact O-N 2.98Å; A159-D163 PolarHBondContact O-N 2.83Å
160	I	63.1	Low	65.5	Low	91 Å²	91	68.8 Å²	68.8	47%	0.467	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-40.6	176.7	-68.6	165.1	0	0	0	110.8	A156 I157 A162 D163 I164	A156-I160 WeakPolarHBondContact O-CB 3.46Å; A156-I160 WeakPolarHBondContact O-CD1 3.41Å; A156-I160 VanDerWaalsContact O-CG1 3.23Å; A156-I160 WeakPolarHBondContact O-CG1 2.99Å; A156-I160 PolarHBondContact O-N 2.79Å; I157-I160 PolarHBondContact O-N 3.31Å; I160-A162 VanDerWaalsContact C-N 3.32Å; I160-A162 PolarHBondContact O-N 3.16Å; I160-D163 PolarHBondContact O-N 2.87Å; I160-I164 HydrophobicContact CG2-CD1 3.69Å; I160-I164 HydrophobicContact CG2-CG1 4.34Å; I160-I164 WeakPolarHBondContact O-CB 3.32Å; I160-I164 VanDerWaalsContact O-CG1 3.28Å; I160-I164 WeakPolarHBondContact O-CG1 3.3Å; I160-I164 PolarHBondContact O-N 3.33Å
161	V	70.8	Confident	66.1	Low	17 Å²	17	71.9 Å²	71.9	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-41.7	176.1	164.5	0	0	0	0	111.1	I157 D158 A159 K165 L178 V180	I157-V161 HydrophobicContact CG2-CG2 4.24Å; I157-V161 WeakPolarHBondContact O-CB 3.29Å; I157-V161 WeakPolarHBondContact O-CG2 3.34Å; I157-V161 PolarHBondContact O-N 3.01Å; D158-V161 PolarHBondContact O-N 2.84Å; A159-V161 VanDerWaalsContact C-N 3.32Å; A159-V161 PolarHBondContact O-N 3.07Å; V161-K165 HydrophobicContact CG1-CD 4.12Å; V161-K165 WeakPolarHBondContact O-CB 3.31Å; V161-K165 WeakPolarHBondContact O-CG 3.44Å; V161-K165 PolarHBondContact O-N 2.92Å; V161-L178 HydrophobicContact CB-CD2 4.22Å; V161-L178 HydrophobicContact CG1-CD2 3.71Å; V161-L178 HydrophobicContact CG2-CD2 4.04Å; V161-V180 HydrophobicContact CG2-CB 4.39Å; V161-V180 HydrophobicContact CG2-CG1 3.75Å; V161-V180 HydrophobicContact CG2-CG2 3.93Å
162	A	72.9	Confident	65.7	Low	53 Å²	53	69.8 Å²	69.8	44%	0.438	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-49.9	176.1	0	0	0	0	0	111.4	D158 A159 I160 I164 K165 E166	D158-A162 WeakPolarHBondContact O-CB 3.29Å; D158-A162 PolarHBondContact O-N 2.86Å; A159-A162 WeakPolarHBondContact O-CB 3.29Å; A159-A162 PolarHBondContact O-N 2.98Å; I160-A162 VanDerWaalsContact C-N 3.32Å; I160-A162 PolarHBondContact O-N 3.16Å; A162-I164 PolarHBondContact O-N 2.67Å; A162-K165 PolarHBondContact O-N 3.28Å; A162-K165 VanDerWaalsContact O-N 3.17Å; A162-E166 PolarHBondContact O-N 3.07Å
163	D	67.7	Low	65.2	Low	59 Å²	59	68.4 Å²	68.4	32%	0.316	36%	0.36	S	S	.	.	H	α-helix	trans	-58.8	-44.3	179.7	-72.9	-3.6	0	0	0	111.3	T146 A159 I160 E167	T146-D163 PolarHBondContact OG1-OD2 2.94Å; A159-D163 PolarHBondContact O-N 2.83Å; I160-D163 PolarHBondContact O-N 2.87Å; D163-E167 WeakPolarHBondContact O-CB 3.4Å; D163-E167 PolarHBondContact O-N 2.66Å
164	I	61.7	Low	64.7	Low	28 Å²	28	68.8 Å²	68.8	14%	0.144	35%	0.354	C	S	.	.	H	α-helix	trans	-66.2	-41.2	177.6	-67.7	169.7	0	0	0	111.3	I160 A162 E167 Y168 F176 L178 F198	I160-I164 HydrophobicContact CG2-CD1 3.69Å; I160-I164 HydrophobicContact CG2-CG1 4.34Å; I160-I164 WeakPolarHBondContact O-CB 3.32Å; I160-I164 VanDerWaalsContact O-CG1 3.28Å; I160-I164 WeakPolarHBondContact O-CG1 3.3Å; I160-I164 PolarHBondContact O-N 3.33Å; A162-I164 PolarHBondContact O-N 2.67Å; I164-E167 PolarHBondContact O-N 2.85Å; I164-Y168 HydrophobicContact CB-CD2 4.37Å; I164-Y168 HydrophobicContact CG2-CD2 3.82Å; I164-Y168 WeakPolarHBondContact O-CB 3.26Å; I164-Y168 VanDerWaalsContact O-CD2 3.26Å; I164-Y168 WeakPolarHBondContact O-CD2 3.48Å; I164-Y168 PolarHBondContact O-N 2.78Å; I164-F176 HydrophobicContact CG2-CE2 3.73Å; I164-F176 HydrophobicContact CG2-CZ 3.86Å; I164-L178 HydrophobicContact CD1-CD1 4.31Å; I164-L178 HydrophobicContact CG2-CD1 4.19Å; I164-F198 HydrophobicContact CD1-CD1 4.01Å; I164-F198 HydrophobicContact CD1-CE1 4.24Å; I164-F198 HydrophobicContact CG2-CB 4.33Å; I164-F198 HydrophobicContact CG2-CD1 4.02Å; I164-F198 HydrophobicContact CG2-CD2 4.1Å; I164-F198 HydrophobicContact CG2-CE1 4.34Å; I164-F198 HydrophobicContact CG2-CE2 4.4Å; I164-F198 HydrophobicContact CG2-CG 3.9Å
165	K	74.2	Confident	64.3	Low	96 Å²	96	67.9 Å²	67.9	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-67.7	-43.3	179.5	-78.9	177.5	176	179.2	0	111.9	V161 A162 E167 D169 F176 L178	V161-K165 HydrophobicContact CG1-CD 4.12Å; V161-K165 WeakPolarHBondContact O-CB 3.31Å; V161-K165 WeakPolarHBondContact O-CG 3.44Å; V161-K165 PolarHBondContact O-N 2.92Å; A162-K165 PolarHBondContact O-N 3.28Å; A162-K165 VanDerWaalsContact O-N 3.17Å; K165-E167 VanDerWaalsContact C-N 3.27Å; K165-E167 PolarHBondContact O-N 2.79Å; K165-D169 HydrophobicContact CB-CB 4.27Å; K165-D169 HydrophobicContact CG-CB 4.5Å; K165-D169 WeakPolarHBondContact O-CA 3.23Å; K165-D169 WeakPolarHBondContact O-CB 3.34Å; K165-D169 PolarHBondContact O-N 3.33Å; K165-F176 HydrophobicContact CG-CE1 4.03Å; K165-F176 HydrophobicContact CG-CZ 4.11Å; K165-L178 HydrophobicContact CG-CD2 4.24Å
166	E	71.6	Confident	64.4	Low	160 Å²	160	65.7 Å²	65.7	75%	0.748	35%	0.353	S	S	*	.	H	α-helix	trans	-56	-45.6	176.2	-174.7	176.5	179.4	0	0	111.1	A162	A162-E166 PolarHBondContact O-N 3.07Å
167	E	64.4	Low	64.7	Low	80 Å²	80	70.7 Å²	70.7	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-79.3	-35.7	-175.5	-173.5	61.6	-153.2	0	0	114.1	D163 I164 K165 N170 Y173	D163-E167 WeakPolarHBondContact O-CB 3.4Å; D163-E167 PolarHBondContact O-N 2.66Å; I164-E167 PolarHBondContact O-N 2.85Å; K165-E167 VanDerWaalsContact C-N 3.27Å; K165-E167 PolarHBondContact O-N 2.79Å; E167-N170 VanDerWaalsContact C-ND2 3.33Å; E167-N170 PolarHBondContact O-ND2 3.1Å; E167-Y173 VanDerWaalsContact O-CE2 3.28Å; E167-Y173 WeakPolarHBondContact O-CE2 3.47Å
168	Y	62.8	Low	64.9	Low	45 Å²	45	71.9 Å²	71.9	18%	0.176	38%	0.377	C	S	.	.	H	α-helix	trans	-118.4	-14.8	-168.1	-58.7	-74.7	0	0	0	115	I164 N170 Y173 F198	I164-Y168 HydrophobicContact CB-CD2 4.37Å; I164-Y168 HydrophobicContact CG2-CD2 3.82Å; I164-Y168 WeakPolarHBondContact O-CB 3.26Å; I164-Y168 VanDerWaalsContact O-CD2 3.26Å; I164-Y168 WeakPolarHBondContact O-CD2 3.48Å; I164-Y168 PolarHBondContact O-N 2.78Å; Y168-N170 VanDerWaalsContact C-N 3.26Å; Y168-N170 PolarHBondContact O-N 3.43Å; Y168-Y173 HydrophobicContact CD1-CD1 4.02Å; Y168-Y173 HydrophobicContact CD1-CD2 4.23Å; Y168-Y173 AromaticContact CD1-CE1 3.62Å; Y168-Y173 HydrophobicContact CD1-CE1 3.62Å; Y168-Y173 AromaticContact CD1-CE2 3.87Å; Y168-Y173 HydrophobicContact CD1-CE2 3.87Å; Y168-Y173 HydrophobicContact CD1-CG 4.31Å; Y168-Y173 AromaticContact CD1-CZ 3.55Å; Y168-Y173 AromaticContact CE1-CE1 3.96Å; Y168-Y173 HydrophobicContact CE1-CE1 3.96Å; Y168-Y173 HydrophobicContact CE1-CE2 4.49Å; Y168-Y173 AromaticContact CE1-CZ 3.83Å; Y168-Y173 WeakPolarHBondContact O-CB 3.44Å; Y168-F198 HydrophobicContact CD1-CE2 4.14Å; Y168-F198 AromaticContact CD2-CE2 3.75Å; Y168-F198 HydrophobicContact CD2-CE2 3.75Å; Y168-F198 AromaticContact CD2-CZ 3.97Å; Y168-F198 HydrophobicContact CD2-CZ 3.97Å; Y168-F198 HydrophobicContact CE1-CE2 4.31Å; Y168-F198 AromaticContact CE2-CE2 3.94Å; Y168-F198 HydrophobicContact CE2-CE2 3.94Å; Y168-F198 AromaticContact CE2-CZ 3.72Å; Y168-F198 HydrophobicContact CE2-CZ 3.72Å; Y168-F198 AromaticContact CG-CE2 3.86Å; Y168-F198 HydrophobicContact CG-CE2 3.86Å; Y168-F198 HydrophobicContact CG-CZ 4.47Å
169	D	73.6	Confident	65	Low	102 Å²	102	73 Å²	73	55%	0.545	37%	0.374	S	S	.	.	S	Bend	trans	-91.9	57.5	175.2	-159.7	14.2	0	0	0	110.6	K165 F176	K165-D169 HydrophobicContact CB-CB 4.27Å; K165-D169 HydrophobicContact CG-CB 4.5Å; K165-D169 WeakPolarHBondContact O-CA 3.23Å; K165-D169 WeakPolarHBondContact O-CB 3.34Å; K165-D169 PolarHBondContact O-N 3.33Å; D169-F176 HydrophobicContact CB-CD1 3.73Å; D169-F176 HydrophobicContact CB-CE1 3.78Å; D169-F176 HydrophobicContact CB-CG 4.39Å; D169-F176 HydrophobicContact CB-CZ 4.46Å
170	N	68.2	Low	65.5	Low	55 Å²	55	75 Å²	75	29%	0.294	38%	0.383	S	S	.	.	S	Bend	trans	-140.2	176.2	179.5	64.1	57.4	0	0	0	111.8	E167 Y168 N172 Y173	E167-N170 VanDerWaalsContact C-ND2 3.33Å; E167-N170 PolarHBondContact O-ND2 3.1Å; Y168-N170 VanDerWaalsContact C-N 3.26Å; Y168-N170 PolarHBondContact O-N 3.43Å; N170-N172 PolarHBondContact O-N 3.14Å; N170-N172 VanDerWaalsContact OD1-CB 3.26Å; N170-N172 WeakPolarHBondContact OD1-CB 3.34Å; N170-N172 PolarHBondContact OD1-N 3.11Å; N170-N172 PolarHBondContact OD1-ND2 2.82Å; N170-Y173 PolarHBondContact O-N 3Å; N170-Y173 VanDerWaalsContact O-N 3.14Å; N170-Y173 WeakPolarHBondContact OD1-CD2 3.43Å
171	D	59.9	Low	65.7	Low	131 Å²	131	72.1 Å²	72.1	70%	0.701	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.8	-173.9	-73.9	-32.3	0	0	0	115	Y173 I203	D171-Y173 VanDerWaalsContact C-N 3.31Å; D171-I203 WeakPolarHBondContact O-CD1 3.09Å
172	N	51.5	Low	65.9	Low	105 Å²	105	78 Å²	78	56%	0.561	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.8	177.9	-59	-45.9	0	0	0	113.1	N170 I203	N170-N172 PolarHBondContact O-N 3.14Å; N170-N172 VanDerWaalsContact OD1-CB 3.26Å; N170-N172 WeakPolarHBondContact OD1-CB 3.34Å; N170-N172 PolarHBondContact OD1-N 3.11Å; N170-N172 PolarHBondContact OD1-ND2 2.82Å; N172-I203 VanDerWaalsContact O-CB 3.26Å; N172-I203 WeakPolarHBondContact O-CB 3.49Å; N172-I203 VanDerWaalsContact O-CG1 3.29Å; N172-I203 WeakPolarHBondContact O-CG1 3.43Å; N172-I203 PolarHBondContact O-N 2.85Å
173	Y	50.5	Low	65.8	Low	26 Å²	26	77.1 Å²	77.1	10%	0.102	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138	-175.6	-62.5	-87.7	0	0	0	111	E167 Y168 N170 D171 C200 R201 Y202	E167-Y173 VanDerWaalsContact O-CE2 3.28Å; E167-Y173 WeakPolarHBondContact O-CE2 3.47Å; Y168-Y173 HydrophobicContact CD1-CD1 4.02Å; Y168-Y173 HydrophobicContact CD1-CD2 4.23Å; Y168-Y173 AromaticContact CD1-CE1 3.62Å; Y168-Y173 HydrophobicContact CD1-CE1 3.62Å; Y168-Y173 AromaticContact CD1-CE2 3.87Å; Y168-Y173 HydrophobicContact CD1-CE2 3.87Å; Y168-Y173 HydrophobicContact CD1-CG 4.31Å; Y168-Y173 AromaticContact CD1-CZ 3.55Å; Y168-Y173 AromaticContact CE1-CE1 3.96Å; Y168-Y173 HydrophobicContact CE1-CE1 3.96Å; Y168-Y173 HydrophobicContact CE1-CE2 4.49Å; Y168-Y173 AromaticContact CE1-CZ 3.83Å; Y168-Y173 WeakPolarHBondContact O-CB 3.44Å; N170-Y173 PolarHBondContact O-N 3Å; N170-Y173 VanDerWaalsContact O-N 3.14Å; N170-Y173 WeakPolarHBondContact OD1-CD2 3.43Å; D171-Y173 VanDerWaalsContact C-N 3.31Å; Y173-C200 HydrophobicContact CD1-CB 4.14Å; Y173-R201 WeakPolarHBondContact CA-O 2.94Å; Y173-Y202 HydrophobicContact CD1-CD2 4.12Å; Y173-Y202 HydrophobicContact CD1-CG 4.34Å; Y173-Y202 AromaticContact CE1-CD2 3.26Å; Y173-Y202 HydrophobicContact CE1-CD2 3.26Å; Y173-Y202 AromaticContact CE1-CE2 3.47Å; Y173-Y202 HydrophobicContact CE1-CE2 3.47Å; Y173-Y202 VanDerWaalsContact CE1-CE2 3.47Å; Y173-Y202 AromaticContact CE1-CG 3.88Å; Y173-Y202 HydrophobicContact CE1-CG 3.88Å; Y173-Y202 AromaticContact CZ-CD2 3.92Å; Y173-Y202 AromaticContact CZ-CE2 3.59Å; Y173-Y202 WeakPolarHBondContact OH-CE2 3.28Å
174	R	48.6	Very low	65.8	Low	67 Å²	67	79.8 Å²	79.8	25%	0.253	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	150	175.2	-94	-173.7	-174.4	-158.7	7.8	112.2	F176 R201 I203 P244 L245 K390	R174-F176 PolarHBondContact O-N 2.91Å; R174-R201 PolarHBondContact N-O 2.82Å; R174-R201 WeakPolarHBondContact O-CB 3.44Å; R174-R201 PolarHBondContact O-N 3.5Å; R174-I203 HydrophobicContact CB-CD1 4.22Å; R174-I203 HydrophobicContact CB-CG1 4.12Å; R174-I203 HydrophobicContact CG-CD1 3.67Å; R174-I203 HydrophobicContact CG-CG1 4.06Å; R174-P244 PolarHBondContact NH2-O 3.14Å; R174-L245 VanDerWaalsContact CZ-CD1 3.49Å; R174-L245 VanDerWaalsContact CZ-CD2 3.46Å; R174-K390 PolarHBondContact NH2-O 3.4Å
175	G	62.3	Low	66.4	Low	54 Å²	54	82.9 Å²	82.9	56%	0.557	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	64.2	29.5	176.1	0	0	0	0	0	112.8	K177	G175-K177 PolarHBondContact O-N 2.77Å
176	F	65	Low	65.9	Low	37 Å²	37	83.1 Å²	83.1	16%	0.162	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	123.8	171.3	-179.5	-109.1	0	0	0	109.4	I164 K165 D169 R174 L178 F198 T199 C200	I164-F176 HydrophobicContact CG2-CE2 3.73Å; I164-F176 HydrophobicContact CG2-CZ 3.86Å; K165-F176 HydrophobicContact CG-CE1 4.03Å; K165-F176 HydrophobicContact CG-CZ 4.11Å; D169-F176 HydrophobicContact CB-CD1 3.73Å; D169-F176 HydrophobicContact CB-CE1 3.78Å; D169-F176 HydrophobicContact CB-CG 4.39Å; D169-F176 HydrophobicContact CB-CZ 4.46Å; R174-F176 PolarHBondContact O-N 2.91Å; F176-L178 HydrophobicContact CE1-CB 4.17Å; F176-L178 HydrophobicContact CZ-CB 3.87Å; F176-L178 HydrophobicContact CZ-CD2 4.37Å; F176-F198 HydrophobicContact CD2-CD2 4.33Å; F176-F198 HydrophobicContact CE2-CB 4.19Å; F176-F198 AromaticContact CE2-CD2 3.94Å; F176-F198 HydrophobicContact CE2-CD2 3.94Å; F176-F198 HydrophobicContact CE2-CG 4.38Å; F176-T199 CarbonylContact C-O 3.55Å; F176-T199 WeakPolarHBondContact CA-O 3.45Å; F176-C200 HydrophobicContact CD2-CB 4.27Å
177	K	67.4	Low	66	Low	127 Å²	127	81.9 Å²	81.9	55%	0.552	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	129.6	171	-65.6	-172.9	176.1	-173.1	0	107.9	G175 F198 T199	G175-K177 PolarHBondContact O-N 2.77Å; K177-F198 CarbonylContact O-C 3.54Å; K177-F198 WeakPolarHBondContact O-CA 3.16Å; K177-F198 WeakPolarHBondContact O-CB 3.34Å; K177-T199 PolarHBondContact N-O 2.85Å; K177-T199 PolarHBondContact O-N 3.37Å
178	L	70.8	Confident	66.3	Low	40 Å²	40	83 Å²	83	21%	0.209	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.3	179.2	-178.8	63.1	0	0	0	109.8	V161 I164 K165 F176 V180 F198	V161-L178 HydrophobicContact CB-CD2 4.22Å; V161-L178 HydrophobicContact CG1-CD2 3.71Å; V161-L178 HydrophobicContact CG2-CD2 4.04Å; I164-L178 HydrophobicContact CD1-CD1 4.31Å; I164-L178 HydrophobicContact CG2-CD1 4.19Å; K165-L178 HydrophobicContact CG-CD2 4.24Å; F176-L178 HydrophobicContact CE1-CB 4.17Å; F176-L178 HydrophobicContact CZ-CB 3.87Å; F176-L178 HydrophobicContact CZ-CD2 4.37Å; L178-V180 HydrophobicContact CD2-CG2 4.21Å; L178-V180 HydrophobicContact CG-CG2 4.11Å; L178-F198 HydrophobicContact CB-CB 4.47Å; L178-F198 HydrophobicContact CD1-CB 3.7Å
179	Y	74.5	Confident	66.4	Low	136 Å²	136	83.2 Å²	83.2	53%	0.533	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	100.8	170.7	-56.8	-83.2	0	0	0	107.3	G196 G197	Y179-G196 CarbonylContact O-C 3.47Å; Y179-G196 WeakPolarHBondContact O-CA 3.32Å; Y179-G197 WeakPolarHBondContact CA-O 3.23Å; Y179-G197 WeakPolarHBondContact CB-O 2.94Å; Y179-G197 WeakPolarHBondContact CD2-O 3.31Å; Y179-G197 PolarHBondContact N-O 3.38Å; Y179-G197 PolarHBondContact O-N 2.82Å
180	V	74.3	Confident	66	Low	66 Å²	66	82.3 Å²	82.3	40%	0.4	44%	0.443	S	S	.	.			trans	-72.1	128.5	-175.5	-175.6	0	0	0	0	109.5	I157 V161 L178	I157-V180 HydrophobicContact CG2-CG1 3.51Å; V161-V180 HydrophobicContact CG2-CB 4.39Å; V161-V180 HydrophobicContact CG2-CG1 3.75Å; V161-V180 HydrophobicContact CG2-CG2 3.93Å; L178-V180 HydrophobicContact CD2-CG2 4.21Å; L178-V180 HydrophobicContact CG-CG2 4.11Å
181	P	66.7	Low	65.5	Low	31 Å²	31	86 Å²	86	20%	0.201	46%	0.456	C	S	.	.			trans	-51.7	150.4	167.6	-22.2	30.1	0	0	0	111.5	I157 V193 T194	I157-P181 HydrophobicContact CD1-CB 3.94Å; I157-P181 HydrophobicContact CG1-CB 3.95Å; I157-P181 HydrophobicContact CG1-CG 4.35Å; I157-P181 HydrophobicContact CG2-CB 4.4Å; I157-P181 HydrophobicContact CG2-CG 4.46Å; P181-V193 HydrophobicContact CB-CG1 3.63Å; P181-T194 WeakPolarHBondContact CA-O 3.42Å; P181-T194 VanDerWaalsContact CB-O 3.22Å; P181-T194 WeakPolarHBondContact CB-O 3.26Å
182	K	74.9	Confident	65.4	Low	140 Å²	140	85.7 Å²	85.7	61%	0.609	45%	0.446	S	S	*	.			trans	-126.4	139.1	176.3	-63.4	-175.2	179.8	-176.4	0	109.9	K184 V193 T194	K182-K184 PolarHBondContact O-N 2.99Å; K182-V193 CarbonylContact O-C 3.48Å; K182-V193 WeakPolarHBondContact O-CA 3.1Å; K182-T194 HydrophobicContact CB-CG2 4.44Å; K182-T194 PolarHBondContact N-OG1 2.83Å; K182-T194 PolarHBondContact O-N 3.29Å; K182-T194 PolarHBondContact O-OG1 3.25Å
183	V	71.7	Confident	65.5	Low	35 Å²	35	84.4 Å²	84.4	21%	0.212	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.5	168.6	-172.9	0	0	0	0	108.2	P153 E154 I157 K191 Y192 V193	P153-V183 HydrophobicContact CB-CG2 3.83Å; E154-V183 HydrophobicContact CG-CG2 3.87Å; E154-V183 WeakPolarHBondContact OE1-CG2 3.23Å; I157-V183 HydrophobicContact CD1-CG2 3.88Å; V183-K191 HydrophobicContact CG1-CB 3.97Å; V183-K191 HydrophobicContact CG1-CD 3.98Å; V183-K191 HydrophobicContact CG1-CG 4.18Å; V183-Y192 CarbonylContact C-O 3.59Å; V183-Y192 WeakPolarHBondContact CA-O 3.24Å; V183-V193 HydrophobicContact CG2-CG2 4.38Å
184	K	68	Low	65.7	Low	115 Å²	115	85.3 Å²	85.3	50%	0.5	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.7	173.3	-75.5	-173	176.7	179.2	0	109.5	K182 F186 K191 Y192 T194	K182-K184 PolarHBondContact O-N 2.99Å; K184-F186 HydrophobicContact CB-CD2 4.43Å; K184-F186 HydrophobicContact CB-CE2 3.85Å; K184-K191 CarbonylContact O-C 3.59Å; K184-K191 WeakPolarHBondContact O-CA 3.25Å; K184-Y192 PolarHBondContact N-O 2.9Å; K184-Y192 PolarHBondContact O-N 2.65Å; K184-T194 HydrophobicContact CD-CG2 3.69Å; K184-T194 HydrophobicContact CG-CG2 3.91Å
185	T	73.3	Confident	65.9	Low	92 Å²	92	88.2 Å²	88.2	56%	0.564	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.1	169.5	-48.8	0	0	0	0	108.7	D190	T185-D190 CarbonylContact C-O 3.59Å; T185-D190 WeakPolarHBondContact CA-O 3.39Å
186	F	64.1	Low	65.3	Low	101 Å²	101	87.1 Å²	87.1	44%	0.443	46%	0.464	S	S	.	.			trans	-91.2	172.8	178.5	-73.4	-102.2	0	0	0	111	K184 D188 G189 D190 Y192	K184-F186 HydrophobicContact CB-CD2 4.43Å; K184-F186 HydrophobicContact CB-CE2 3.85Å; F186-D188 VanDerWaalsContact CB-OD1 3.3Å; F186-D188 WeakPolarHBondContact CB-OD1 3.32Å; F186-D188 PolarHBondContact O-N 2.89Å; F186-G189 PolarHBondContact O-N 2.69Å; F186-D190 PolarHBondContact N-O 3.33Å; F186-Y192 AromaticContact CD2-CD2 3.38Å; F186-Y192 HydrophobicContact CD2-CD2 3.38Å; F186-Y192 HydrophobicContact CD2-CE2 4.02Å; F186-Y192 HydrophobicContact CD2-CG 4.23Å; F186-Y192 AromaticContact CE2-CD2 3.56Å; F186-Y192 HydrophobicContact CE2-CD2 3.56Å; F186-Y192 HydrophobicContact CE2-CE2 4.45Å; F186-Y192 AromaticContact CE2-CG 3.95Å; F186-Y192 HydrophobicContact CE2-CG 3.95Å; F186-Y192 HydrophobicContact CG-CD2 4.28Å
187	S	73.6	Confident	64.9	Low	135 Å²	135	86.6 Å²	86.6	94%	0.944	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21	-174.5	47.9	0	0	0	0	114.4	G189	S187-G189 VanDerWaalsContact C-N 3.31Å
188	D	71.6	Confident	64.2	Low	104 Å²	104	83.1 Å²	83.1	56%	0.556	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.6	173.5	50.9	14.2	0	0	0	113.4	F186 D190	F186-D188 VanDerWaalsContact CB-OD1 3.3Å; F186-D188 WeakPolarHBondContact CB-OD1 3.32Å; F186-D188 PolarHBondContact O-N 2.89Å; D188-D190 WeakPolarHBondContact OD1-CB 3.32Å; D188-D190 PolarHBondContact OD1-N 3.12Å
189	G	63.4	Low	63.3	Low	48 Å²	48	83.2 Å²	83.2	50%	0.495	46%	0.456	S	S	.	.	S	Bend	trans	90	-4.8	-176.6	0	0	0	0	0	114.2	F186 S187	F186-G189 PolarHBondContact O-N 2.69Å; S187-G189 VanDerWaalsContact C-N 3.31Å
190	D	66.4	Low	62	Low	84 Å²	84	78.8 Å²	78.8	45%	0.449	44%	0.444	S	S	.	.			trans	-73.7	141.9	180	-76.9	-14.3	0	0	0	111.2	T185 F186 D188 Y192	T185-D190 CarbonylContact C-O 3.59Å; T185-D190 WeakPolarHBondContact CA-O 3.39Å; F186-D190 PolarHBondContact N-O 3.33Å; D188-D190 WeakPolarHBondContact OD1-CB 3.32Å; D188-D190 PolarHBondContact OD1-N 3.12Å; D190-Y192 HydrophobicContact CB-CD2 4.25Å; D190-Y192 HydrophobicContact CB-CE2 3.53Å
191	K	56.1	Low	60.6	Low	133 Å²	133	84 Å²	84	58%	0.578	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	122	178.3	-70.4	-174.8	175.9	-168.5	0	110.4	V183 K184	V183-K191 HydrophobicContact CG1-CB 3.97Å; V183-K191 HydrophobicContact CG1-CD 3.98Å; V183-K191 HydrophobicContact CG1-CG 4.18Å; K184-K191 CarbonylContact O-C 3.59Å; K184-K191 WeakPolarHBondContact O-CA 3.25Å
192	Y	58.5	Low	59.2	Low	124 Å²	124	88.2 Å²	88.2	49%	0.486	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.4	173.1	-62.1	-105.6	0	0	0	110.5	V183 K184 F186 D190	V183-Y192 CarbonylContact C-O 3.59Å; V183-Y192 WeakPolarHBondContact CA-O 3.24Å; K184-Y192 PolarHBondContact N-O 2.9Å; K184-Y192 PolarHBondContact O-N 2.65Å; F186-Y192 AromaticContact CD2-CD2 3.38Å; F186-Y192 HydrophobicContact CD2-CD2 3.38Å; F186-Y192 HydrophobicContact CD2-CE2 4.02Å; F186-Y192 HydrophobicContact CD2-CG 4.23Å; F186-Y192 AromaticContact CE2-CD2 3.56Å; F186-Y192 HydrophobicContact CE2-CD2 3.56Å; F186-Y192 HydrophobicContact CE2-CE2 4.45Å; F186-Y192 AromaticContact CE2-CG 3.95Å; F186-Y192 HydrophobicContact CE2-CG 3.95Å; F186-Y192 HydrophobicContact CG-CD2 4.28Å; D190-Y192 HydrophobicContact CB-CD2 4.25Å; D190-Y192 HydrophobicContact CB-CE2 3.53Å
193	V	53.4	Low	57.5	Low	77 Å²	77	83.2 Å²	83.2	47%	0.467	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.4	173.7	-178.8	0	0	0	0	108.3	P153 I157 P181 K182 V183	P153-V193 HydrophobicContact CB-CG2 3.81Å; I157-V193 HydrophobicContact CD1-CG1 3.95Å; I157-V193 HydrophobicContact CG1-CG1 4.44Å; P181-V193 HydrophobicContact CB-CG1 3.63Å; K182-V193 CarbonylContact O-C 3.48Å; K182-V193 WeakPolarHBondContact O-CA 3.1Å; V183-V193 HydrophobicContact CG2-CG2 4.38Å
194	T	55.5	Low	55.7	Low	46 Å²	46	87 Å²	87	28%	0.282	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-67	146.9	174.1	67.1	0	0	0	0	110.2	P181 K182 K184 G196	P181-T194 WeakPolarHBondContact CA-O 3.42Å; P181-T194 VanDerWaalsContact CB-O 3.22Å; P181-T194 WeakPolarHBondContact CB-O 3.26Å; K182-T194 HydrophobicContact CB-CG2 4.44Å; K182-T194 PolarHBondContact N-OG1 2.83Å; K182-T194 PolarHBondContact O-N 3.29Å; K182-T194 PolarHBondContact O-OG1 3.25Å; K184-T194 HydrophobicContact CD-CG2 3.69Å; K184-T194 HydrophobicContact CG-CG2 3.91Å; T194-G196 PolarHBondContact O-N 2.78Å
195	T	51.7	Low	53.8	Low	128 Å²	128	83.3 Å²	83.3	79%	0.785	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-55.4	129.4	173.9	-44.3	0	0	0	0	111.6
196	G	51.2	Low	51.6	Low	30 Å²	30	84.2 Å²	84.2	31%	0.309	47%	0.465	S	S	.	.			trans	-103.7	-178.1	165	0	0	0	0	0	111.4	Y179 T194	Y179-G196 CarbonylContact O-C 3.47Å; Y179-G196 WeakPolarHBondContact O-CA 3.32Å; T194-G196 PolarHBondContact O-N 2.78Å
197	G	55.7	Low	50.1	Low	26 Å²	26	84.6 Å²	84.6	27%	0.268	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	178.7	170.3	173.9	0	0	0	0	0	111.1	Y179	Y179-G197 WeakPolarHBondContact CA-O 3.23Å; Y179-G197 WeakPolarHBondContact CB-O 2.94Å; Y179-G197 WeakPolarHBondContact CD2-O 3.31Å; Y179-G197 PolarHBondContact N-O 3.38Å; Y179-G197 PolarHBondContact O-N 2.82Å
198	F	52.2	Low	48.1	Very low	54 Å²	54	87.1 Å²	87.1	24%	0.237	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.3	174.5	70.7	-77.3	0	0	0	110.6	F3 I164 Y168 F176 K177 L178 C200	F3-F198 WeakPolarHBondContact CE1-O 3.34Å; F3-F198 VanDerWaalsContact CZ-O 3.24Å; F3-F198 WeakPolarHBondContact CZ-O 3.29Å; I164-F198 HydrophobicContact CD1-CD1 4.01Å; I164-F198 HydrophobicContact CD1-CE1 4.24Å; I164-F198 HydrophobicContact CG2-CB 4.33Å; I164-F198 HydrophobicContact CG2-CD1 4.02Å; I164-F198 HydrophobicContact CG2-CD2 4.1Å; I164-F198 HydrophobicContact CG2-CE1 4.34Å; I164-F198 HydrophobicContact CG2-CE2 4.4Å; I164-F198 HydrophobicContact CG2-CG 3.9Å; Y168-F198 HydrophobicContact CD1-CE2 4.14Å; Y168-F198 AromaticContact CD2-CE2 3.75Å; Y168-F198 HydrophobicContact CD2-CE2 3.75Å; Y168-F198 AromaticContact CD2-CZ 3.97Å; Y168-F198 HydrophobicContact CD2-CZ 3.97Å; Y168-F198 HydrophobicContact CE1-CE2 4.31Å; Y168-F198 AromaticContact CE2-CE2 3.94Å; Y168-F198 HydrophobicContact CE2-CE2 3.94Å; Y168-F198 AromaticContact CE2-CZ 3.72Å; Y168-F198 HydrophobicContact CE2-CZ 3.72Å; Y168-F198 AromaticContact CG-CE2 3.86Å; Y168-F198 HydrophobicContact CG-CE2 3.86Å; Y168-F198 HydrophobicContact CG-CZ 4.47Å; F176-F198 HydrophobicContact CD2-CD2 4.33Å; F176-F198 HydrophobicContact CE2-CB 4.19Å; F176-F198 AromaticContact CE2-CD2 3.94Å; F176-F198 HydrophobicContact CE2-CD2 3.94Å; F176-F198 HydrophobicContact CE2-CG 4.38Å; K177-F198 CarbonylContact O-C 3.54Å; K177-F198 WeakPolarHBondContact O-CA 3.16Å; K177-F198 WeakPolarHBondContact O-CB 3.34Å; L178-F198 HydrophobicContact CB-CB 4.47Å; L178-F198 HydrophobicContact CD1-CB 3.7Å; F198-C200 HydrophobicContact CD2-CB 4.44Å
199	T	52.5	Low	46.8	Very low	43 Å²	43	86.3 Å²	86.3	26%	0.264	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.6	169.2	59.6	0	0	0	0	108.2	F3 F176 K177	F3-T199 HydrophobicContact CE1-CG2 4.09Å; F3-T199 HydrophobicContact CZ-CG2 3.63Å; F176-T199 CarbonylContact C-O 3.55Å; F176-T199 WeakPolarHBondContact CA-O 3.45Å; K177-T199 PolarHBondContact N-O 2.85Å; K177-T199 PolarHBondContact O-N 3.37Å
200	C	46.6	Very low	46.1	Very low	42 Å²	42	91.4 Å²	91.4	28%	0.284	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.7	166	61.1	0	0	0	0	108.5	Y173 F176 F198	Y173-C200 HydrophobicContact CD1-CB 4.14Å; F176-C200 HydrophobicContact CD2-CB 4.27Å; F198-C200 HydrophobicContact CD2-CB 4.44Å
201	R	44.5	Very low	46.1	Very low	176 Å²	176	90.9 Å²	90.9	66%	0.664	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.9	167.9	-63.8	-177	-176.5	178.1	0.7	107.4	Y173 R174 I203	Y173-R201 WeakPolarHBondContact CA-O 2.94Å; R174-R201 PolarHBondContact N-O 2.82Å; R174-R201 WeakPolarHBondContact O-CB 3.44Å; R174-R201 PolarHBondContact O-N 3.5Å; R201-I203 PolarHBondContact O-N 2.88Å
202	Y	37.7	Very low	47.1	Very low	119 Å²	119	86.6 Å²	86.6	47%	0.467	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	127.2	173.7	-147.7	-64.8	0	0	0	108.6	Y173 F204 G205	Y173-Y202 HydrophobicContact CD1-CD2 4.12Å; Y173-Y202 HydrophobicContact CD1-CG 4.34Å; Y173-Y202 AromaticContact CE1-CD2 3.26Å; Y173-Y202 HydrophobicContact CE1-CD2 3.26Å; Y173-Y202 AromaticContact CE1-CE2 3.47Å; Y173-Y202 HydrophobicContact CE1-CE2 3.47Å; Y173-Y202 VanDerWaalsContact CE1-CE2 3.47Å; Y173-Y202 AromaticContact CE1-CG 3.88Å; Y173-Y202 HydrophobicContact CE1-CG 3.88Å; Y173-Y202 AromaticContact CZ-CD2 3.92Å; Y173-Y202 AromaticContact CZ-CE2 3.59Å; Y173-Y202 WeakPolarHBondContact OH-CE2 3.28Å; Y202-F204 WeakPolarHBondContact CD1-O 3.39Å; Y202-F204 WeakPolarHBondContact CE1-O 3.4Å; Y202-G205 VanDerWaalsContact CD1-CA 3.49Å
203	I	40.4	Very low	48.4	Very low	35 Å²	35	83.7 Å²	83.7	18%	0.179	45%	0.453	C	S	.	.	S	Bend	trans	-78.2	-37.5	180	-61.3	173.9	0	0	0	110.6	D171 N172 R174 R201 L245	D171-I203 WeakPolarHBondContact O-CD1 3.09Å; N172-I203 VanDerWaalsContact O-CB 3.26Å; N172-I203 WeakPolarHBondContact O-CB 3.49Å; N172-I203 VanDerWaalsContact O-CG1 3.29Å; N172-I203 WeakPolarHBondContact O-CG1 3.43Å; N172-I203 PolarHBondContact O-N 2.85Å; R174-I203 HydrophobicContact CB-CD1 4.22Å; R174-I203 HydrophobicContact CB-CG1 4.12Å; R174-I203 HydrophobicContact CG-CD1 3.67Å; R174-I203 HydrophobicContact CG-CG1 4.06Å; R201-I203 PolarHBondContact O-N 2.88Å; I203-L245 HydrophobicContact CD1-CD1 4.41Å; I203-L245 HydrophobicContact CD1-CD2 4.49Å; I203-L245 HydrophobicContact CG1-CD1 4.4Å; I203-L245 HydrophobicContact CG2-CD1 3.71Å; I203-L245 HydrophobicContact CG2-CD2 4.47Å
204	F	32.5	Very low	50.2	Low	116 Å²	116	83.2 Å²	83.2	51%	0.509	45%	0.445	S	S	.	.	S	Bend	trans	-152.5	96.5	172.2	-64.1	-72.1	0	0	0	113.4	Y202 Q247	Y202-F204 WeakPolarHBondContact CD1-O 3.39Å; Y202-F204 WeakPolarHBondContact CE1-O 3.4Å; F204-Q247 HydrophobicContact CE1-CG 4.22Å; F204-Q247 HydrophobicContact CZ-CG 4.12Å
205	G	28.2	Very low	51.9	Low	37 Å²	37	86 Å²	86	38%	0.381	46%	0.459	S	S	.	.			trans	-58.1	150.1	177.1	0	0	0	0	0	111.9	Y202 T207	Y202-G205 VanDerWaalsContact CD1-CA 3.49Å; G205-T207 PolarHBondContact O-N 2.75Å
206	P	28	Very low	53.5	Low	111 Å²	111	82.3 Å²	82.3	72%	0.721	43%	0.434	S	S	*	.			trans	-69.1	86.3	165	30.1	-30.9	0	0	0	106.9
207	T	31.3	Very low	55.1	Low	109 Å²	109	82.4 Å²	82.4	67%	0.669	43%	0.425	S	S	*	.			trans	-61.7	146.6	142.3	-31.2	0	0	0	0	103.7	G205 I209	G205-T207 PolarHBondContact O-N 2.75Å; T207-I209 WeakPolarHBondContact O-CG1 3.27Å; T207-I209 PolarHBondContact O-N 3.04Å
208	E	32.9	Very low	56.7	Low	188 Å²	188	81.7 Å²	81.7	88%	0.879	42%	0.415	S	S	*	.			trans	-47.7	101.5	148.9	-83.5	-176.5	137.5	0	0	104.7	K210	E208-K210 PolarHBondContact O-N 2.79Å
209	I	43.7	Very low	58.4	Low	87 Å²	87	82.9 Å²	82.9	45%	0.446	42%	0.424	S	S	.	.			trans	-75.6	83.8	-177.5	-58.5	177.9	0	0	0	101.2	T207 T211 Q288	T207-I209 WeakPolarHBondContact O-CG1 3.27Å; T207-I209 PolarHBondContact O-N 3.04Å; I209-T211 PolarHBondContact O-N 2.87Å; I209-Q288 VanDerWaalsContact CB-NE2 3.33Å; I209-Q288 PolarHBondContact O-NE2 3.19Å
210	K	49.7	Very low	59.9	Low	155 Å²	155	85.1 Å²	85.1	67%	0.674	43%	0.431	S	S	*	.			trans	-43.6	112.4	168.9	-175.1	-175	-180	-163.7	0	104.1	E208 M212 D216	E208-K210 PolarHBondContact O-N 2.79Å; K210-M212 VanDerWaalsContact C-N 3.33Å; K210-M212 PolarHBondContact O-N 3.31Å; K210-D216 IonicContact NZ-OD1 3.74Å
211	T	65.1	Low	61.7	Low	72 Å²	72	83.3 Å²	83.3	44%	0.442	42%	0.419	S	S	.	.			trans	-47.2	107.8	175	-69.3	0	0	0	0	105.5	I209 T213 E289	I209-T211 PolarHBondContact O-N 2.87Å; T211-T213 PolarHBondContact O-N 2.76Å; T211-E289 HydrophobicContact CG2-CB 4.42Å; T211-E289 WeakPolarHBondContact CG2-O 3.21Å
212	M	77.1	Confident	63.7	Low	44 Å²	44	81.6 Å²	81.6	22%	0.217	42%	0.416	C	S	.	.			trans	-72.2	113.8	-177.7	-174.1	172.4	-69.1	0	0	105.1	K210 D216 R217 N290 Y291	K210-M212 VanDerWaalsContact C-N 3.33Å; K210-M212 PolarHBondContact O-N 3.31Å; M212-D216 HydrophobicContact CG-CB 3.65Å; M212-R217 HydrophobicContact CG-CB 4.18Å; M212-R217 HydrophobicContact SD-CB 3.83Å; M212-R217 PolarHBondContact SD-NE 3.27Å; M212-R217 PolarHBondContact SD-NH2 3.39Å; M212-N290 VanDerWaalsContact CB-OD1 3.29Å; M212-N290 WeakPolarHBondContact CB-OD1 3.1Å; M212-Y291 VanDerWaalsContact O-CD2 3.24Å; M212-Y291 WeakPolarHBondContact O-CD2 3.19Å; M212-Y291 PolarHBondContact O-N 3.24Å
213	T	87.1	Confident	65.8	Low	62 Å²	62	83.6 Å²	83.6	38%	0.38	43%	0.43	S	S	.	.			trans	-72.1	167	175.9	65	0	0	0	0	110	T211 D215 D216 R217	T211-T213 PolarHBondContact O-N 2.76Å; T213-D215 PolarHBondContact O-N 3.44Å; T213-D216 WeakPolarHBondContact CB-OD2 2.95Å; T213-D216 PolarHBondContact N-OD2 3.48Å; T213-D216 PolarHBondContact O-N 2.87Å; T213-D216 PolarHBondContact OG1-N 2.7Å; T213-D216 PolarHBondContact OG1-OD2 2.86Å; T213-R217 PolarHBondContact O-N 3.22Å
214	K	90.1	Very high	67.6	Low	67 Å²	67	84.7 Å²	84.7	29%	0.291	44%	0.436	S	S	.	.	H	α-helix	trans	-52.3	-46.8	170.6	-172.7	-173.8	171.3	-167.4	0	110.3	R217 L218 D263 Y291	K214-R217 PolarHBondContact O-N 3.3Å; K214-L218 HydrophobicContact CD-CD1 4.48Å; K214-L218 HydrophobicContact CG-CD1 4.06Å; K214-L218 HydrophobicContact CG-CG 4.39Å; K214-L218 WeakPolarHBondContact O-CB 3.19Å; K214-L218 VanDerWaalsContact O-CG 3.26Å; K214-L218 WeakPolarHBondContact O-CG 3.4Å; K214-L218 PolarHBondContact O-N 2.84Å; K214-D263 WeakPolarHBondContact CE-OD2 3.29Å; K214-D263 IonicContact NZ-OD2 2.89Å; K214-D263 PolarHBondContact NZ-OD2 3.38Å; K214-Y291 HydrophobicContact CB-CD1 3.83Å; K214-Y291 HydrophobicContact CB-CD2 4.41Å; K214-Y291 HydrophobicContact CB-CE1 3.57Å; K214-Y291 HydrophobicContact CB-CE2 4.2Å; K214-Y291 HydrophobicContact CB-CG 4.23Å; K214-Y291 HydrophobicContact CD-CE1 4.46Å; K214-Y291 HydrophobicContact CG-CD1 4.07Å; K214-Y291 HydrophobicContact CG-CE1 3.92Å; K214-Y291 VanDerWaalsContact N-CD2 3.33Å
215	D	91.3	Very high	69.9	Low	106 Å²	106	84 Å²	84	57%	0.567	45%	0.452	S	S	*	.	H	α-helix	trans	-67.5	-39.5	-177.1	-66.1	-20.5	0	0	0	112.2	T213 R217 L218 N219	T213-D215 PolarHBondContact O-N 3.44Å; D215-R217 VanDerWaalsContact C-N 3.34Å; D215-R217 PolarHBondContact O-N 3.25Å; D215-L218 PolarHBondContact O-N 3.33Å; D215-N219 VanDerWaalsContact O-CB 3.27Å; D215-N219 WeakPolarHBondContact O-CB 3.11Å; D215-N219 PolarHBondContact O-N 2.89Å; D215-N219 PolarHBondContact O-ND2 3.13Å
216	D	86.5	Confident	72.3	Confident	50 Å²	50	86.8 Å²	86.8	27%	0.267	46%	0.458	S	S	.	.	H	α-helix	trans	-58.6	-46.3	173.1	-68.7	-52.6	0	0	0	111	K210 M212 T213 N219 Q220	K210-D216 IonicContact NZ-OD1 3.74Å; M212-D216 HydrophobicContact CG-CB 3.65Å; T213-D216 WeakPolarHBondContact CB-OD2 2.95Å; T213-D216 PolarHBondContact N-OD2 3.48Å; T213-D216 PolarHBondContact O-N 2.87Å; T213-D216 PolarHBondContact OG1-N 2.7Å; T213-D216 PolarHBondContact OG1-OD2 2.86Å; D216-N219 PolarHBondContact O-N 3.36Å; D216-Q220 WeakPolarHBondContact O-CB 3.48Å; D216-Q220 PolarHBondContact O-N 2.69Å
217	R	84.8	Confident	74.8	Confident	32 Å²	32	82.2 Å²	82.2	12%	0.121	43%	0.427	C	S	.	.	H	α-helix	trans	-64	-44.2	178.4	176.7	58.1	69.6	-164.2	-0.2	111.7	M212 T213 K214 D215 Q220 N221 V279 Y291	M212-R217 HydrophobicContact CG-CB 4.18Å; M212-R217 HydrophobicContact SD-CB 3.83Å; M212-R217 PolarHBondContact SD-NE 3.27Å; M212-R217 PolarHBondContact SD-NH2 3.39Å; T213-R217 PolarHBondContact O-N 3.22Å; K214-R217 PolarHBondContact O-N 3.3Å; D215-R217 VanDerWaalsContact C-N 3.34Å; D215-R217 PolarHBondContact O-N 3.25Å; R217-Q220 PolarHBondContact O-N 3.48Å; R217-N221 WeakPolarHBondContact O-CB 3.21Å; R217-N221 VanDerWaalsContact O-CG 3.25Å; R217-N221 PolarHBondContact O-N 3.44Å; R217-V279 HydrophobicContact CB-CG1 4.26Å; R217-V279 HydrophobicContact CG-CG1 3.67Å; R217-V279 HydrophobicContact CG-CG2 4.19Å; R217-Y291 VanDerWaalsContact CZ-O 3.3Å; R217-Y291 PolarHBondContact NE-O 3.04Å; R217-Y291 PolarHBondContact NH2-O 3.2Å
218	L	88.7	Confident	77.4	Confident	11 Å²	11	81.4 Å²	81.4	6%	0.058	42%	0.422	C	S	.	.	H	α-helix	trans	-64.2	-41.2	178.3	-70.9	-179.7	0	0	0	112	K214 D215 N221 K222 M229 D263 V279	K214-L218 HydrophobicContact CD-CD1 4.48Å; K214-L218 HydrophobicContact CG-CD1 4.06Å; K214-L218 HydrophobicContact CG-CG 4.39Å; K214-L218 WeakPolarHBondContact O-CB 3.19Å; K214-L218 VanDerWaalsContact O-CG 3.26Å; K214-L218 WeakPolarHBondContact O-CG 3.4Å; K214-L218 PolarHBondContact O-N 2.84Å; D215-L218 PolarHBondContact O-N 3.33Å; L218-N221 PolarHBondContact O-N 2.69Å; L218-K222 VanDerWaalsContact O-CG 3.31Å; L218-K222 WeakPolarHBondContact O-CG 3.45Å; L218-K222 PolarHBondContact O-N 3.28Å; L218-M229 HydrophobicContact CD2-CE 3.65Å; L218-D263 WeakPolarHBondContact CD2-O 3.47Å; L218-V279 HydrophobicContact CD2-CB 4.36Å; L218-V279 HydrophobicContact CD2-CG2 3.86Å
219	N	88.3	Confident	80	Confident	78 Å²	78	74.3 Å²	74.3	42%	0.417	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-41	176.7	-71.2	-24	0	0	0	111.4	D215 D216 N221 K222 Q223	D215-N219 VanDerWaalsContact O-CB 3.27Å; D215-N219 WeakPolarHBondContact O-CB 3.11Å; D215-N219 PolarHBondContact O-N 2.89Å; D215-N219 PolarHBondContact O-ND2 3.13Å; D216-N219 PolarHBondContact O-N 3.36Å; N219-N221 VanDerWaalsContact C-N 3.33Å; N219-N221 PolarHBondContact O-N 2.8Å; N219-K222 PolarHBondContact O-N 3.17Å; N219-Q223 VanDerWaalsContact O-CG 3.31Å; N219-Q223 WeakPolarHBondContact O-CG 3.37Å; N219-Q223 PolarHBondContact O-N 3.09Å
220	Q	84.2	Confident	81.7	Confident	91 Å²	91	72.1 Å²	72.1	43%	0.425	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-44.1	173.7	-173	176.1	24	0	0	111.5	D216 R217 K222 Q223 D224	D216-Q220 WeakPolarHBondContact O-CB 3.48Å; D216-Q220 PolarHBondContact O-N 2.69Å; R217-Q220 PolarHBondContact O-N 3.48Å; Q220-K222 VanDerWaalsContact C-N 3.34Å; Q220-K222 PolarHBondContact O-N 3.34Å; Q220-Q223 PolarHBondContact O-N 3.48Å; Q220-Q223 VanDerWaalsContact O-N 3.17Å; Q220-D224 PolarHBondContact O-N 3.49Å
221	N	84.5	Confident	82.7	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.016	36%	0.362	C	S	.	.	H	α-helix	trans	-62.7	-39.3	176.5	-74.8	-11	0	0	0	112.4	R217 L218 N219 Q223 D224 I227 M229 N293	R217-N221 WeakPolarHBondContact O-CB 3.21Å; R217-N221 VanDerWaalsContact O-CG 3.25Å; R217-N221 PolarHBondContact O-N 3.44Å; L218-N221 PolarHBondContact O-N 2.69Å; N219-N221 VanDerWaalsContact C-N 3.33Å; N219-N221 PolarHBondContact O-N 2.8Å; N221-Q223 VanDerWaalsContact C-N 3.25Å; N221-Q223 PolarHBondContact O-N 3.1Å; N221-D224 PolarHBondContact O-N 3.39Å; N221-I227 HydrophobicContact CB-CG2 3.83Å; N221-I227 WeakPolarHBondContact O-CB 3.25Å; N221-M229 HydrophobicContact CB-CG 4.42Å; N221-M229 HydrophobicContact CB-SD 3.64Å; N221-N293 PolarHBondContact ND2-OD1 2.95Å; N221-N293 PolarHBondContact OD1-ND2 2.73Å; N221-N293 PolarHBondContact OD1-OD1 2.87Å
222	K	86.2	Confident	82.8	Confident	141 Å²	141	67.6 Å²	67.6	61%	0.613	38%	0.376	S	S	*	.	H	α-helix	trans	-66.8	-26.7	175.6	-72	169.8	-175	172.6	0	113	L218 N219 Q220 M229	L218-K222 VanDerWaalsContact O-CG 3.31Å; L218-K222 WeakPolarHBondContact O-CG 3.45Å; L218-K222 PolarHBondContact O-N 3.28Å; N219-K222 PolarHBondContact O-N 3.17Å; Q220-K222 VanDerWaalsContact C-N 3.34Å; Q220-K222 PolarHBondContact O-N 3.34Å; K222-M229 HydrophobicContact CG-CG 4Å
223	Q	82	Confident	82.3	Confident	161 Å²	161	68.1 Å²	68.1	75%	0.752	38%	0.382	S	S	*	.	H	α-helix	trans	-84.8	-23.9	178.2	-71.2	173.6	-0.6	0	0	112.9	N219 Q220 N221 A225	N219-Q223 VanDerWaalsContact O-CG 3.31Å; N219-Q223 WeakPolarHBondContact O-CG 3.37Å; N219-Q223 PolarHBondContact O-N 3.09Å; Q220-Q223 PolarHBondContact O-N 3.48Å; Q220-Q223 VanDerWaalsContact O-N 3.17Å; N221-Q223 VanDerWaalsContact C-N 3.25Å; N221-Q223 PolarHBondContact O-N 3.1Å; Q223-A225 PolarHBondContact O-N 2.87Å
224	D	78.1	Confident	81.8	Confident	58 Å²	58	65.3 Å²	65.3	31%	0.31	36%	0.364	S	S	.	.	S	Bend	trans	-75.2	110.8	173.7	-173.5	-16.8	0	0	0	110	Q220 N221 N226 I227	Q220-D224 PolarHBondContact O-N 3.49Å; N221-D224 PolarHBondContact O-N 3.39Å; D224-N226 PolarHBondContact O-N 2.93Å; D224-N226 WeakPolarHBondContact OD1-CB 3.46Å; D224-N226 PolarHBondContact OD1-N 3.45Å; D224-I227 HydrophobicContact CB-CB 4.22Å; D224-I227 HydrophobicContact CB-CD1 3.98Å; D224-I227 HydrophobicContact CB-CG1 4.1Å; D224-I227 PolarHBondContact O-N 3.46Å
225	A	79.7	Confident	80.6	Confident	102 Å²	102	64.7 Å²	64.7	84%	0.843	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.2	-179.6	0	0	0	0	0	114.2	Q223	Q223-A225 PolarHBondContact O-N 2.87Å
226	N	80.2	Confident	79	Confident	94 Å²	94	63 Å²	63	50%	0.503	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-4.1	176.3	-63	-54.5	0	0	0	113.7	D224 Q268 M269	D224-N226 PolarHBondContact O-N 2.93Å; D224-N226 WeakPolarHBondContact OD1-CB 3.46Å; D224-N226 PolarHBondContact OD1-N 3.45Å; N226-Q268 WeakPolarHBondContact O-CA 3.44Å; N226-M269 PolarHBondContact O-N 2.95Å
227	I	80.2	Confident	77.1	Confident	16 Å²	16	66 Å²	66	8%	0.082	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.7	-176.6	-64.1	179	0	0	0	110.1	N221 D224 M229 T267 Q268 F277	N221-I227 HydrophobicContact CB-CG2 3.83Å; N221-I227 WeakPolarHBondContact O-CB 3.25Å; D224-I227 HydrophobicContact CB-CB 4.22Å; D224-I227 HydrophobicContact CB-CD1 3.98Å; D224-I227 HydrophobicContact CB-CG1 4.1Å; D224-I227 PolarHBondContact O-N 3.46Å; I227-M229 HydrophobicContact CG2-SD 4.06Å; I227-T267 CarbonylContact C-O 3.45Å; I227-T267 WeakPolarHBondContact CA-O 3.26Å; I227-Q268 HydrophobicContact CG1-CB 4.04Å; I227-Q268 HydrophobicContact CG1-CG 3.81Å; I227-F277 HydrophobicContact CG2-CE1 3.79Å; I227-F277 HydrophobicContact CG2-CZ 3.54Å
228	T	85.7	Confident	75.2	Confident	92 Å²	92	66.1 Å²	66.1	56%	0.564	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	172.6	-55.2	0	0	0	0	109.3	G266 T267	T228-G266 CarbonylContact O-C 3.54Å; T228-G266 WeakPolarHBondContact O-CA 2.98Å; T228-T267 PolarHBondContact N-O 2.97Å; T228-T267 PolarHBondContact O-N 3.45Å
229	M	86.2	Confident	73	Confident	39 Å²	39	74 Å²	74	19%	0.192	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	152.4	172.6	-59.9	-54	-56.6	0	0	110.8	L218 N221 K222 I227 D263 F277	L218-M229 HydrophobicContact CD2-CE 3.65Å; N221-M229 HydrophobicContact CB-CG 4.42Å; N221-M229 HydrophobicContact CB-SD 3.64Å; K222-M229 HydrophobicContact CG-CG 4Å; I227-M229 HydrophobicContact CG2-SD 4.06Å; M229-D263 WeakPolarHBondContact CE-O 3.44Å; M229-F277 HydrophobicContact SD-CE2 4.35Å; M229-F277 HydrophobicContact SD-CZ 3.99Å
230	G	81.1	Confident	70.6	Confident	40 Å²	40	71.7 Å²	71.7	41%	0.412	41%	0.406	S	S	.	.			trans	95.1	35.2	177.6	0	0	0	0	0	115.3	S262 M265	G230-S262 WeakPolarHBondContact CA-O 3.24Å; G230-S262 PolarHBondContact N-O 3.14Å; G230-M265 PolarHBondContact N-O 2.72Å
231	G	70.6	Confident	68.4	Low	13 Å²	13	69 Å²	69	13%	0.134	40%	0.396	C	S	.	.			trans	-61.2	168.6	175	0	0	0	0	0	113.3	M265	G231-M265 PolarHBondContact N-O 3.46Å; G231-M265 WeakPolarHBondContact O-CE 3.49Å
232	T	66.6	Low	66.2	Low	120 Å²	120	73.4 Å²	73.4	74%	0.736	41%	0.413	S	S	*	.			trans	-123.5	-40.3	-178.8	51.9	0	0	0	0	114.6
233	V	66.6	Low	64.3	Low	54 Å²	54	69.4 Å²	69.4	33%	0.327	40%	0.399	S	S	.	.	S	Bend	trans	-147.9	128.5	-175.5	176.7	0	0	0	0	111.5	T235 Q276 T351	V233-T235 PolarHBondContact O-N 2.58Å; V233-T235 VanDerWaalsContact O-N 3.16Å; V233-Q276 PolarHBondContact O-NE2 3.01Å; V233-Q276 PolarHBondContact O-OE1 2.78Å; V233-T351 HydrophobicContact CG1-CG2 3.65Å
234	F	75.9	Confident	62.3	Low	4 Å²	4	64.2 Å²	64.2	2%	0.018	38%	0.379	C	S	.	.			trans	-57	114.9	171.3	-76.7	-71.4	0	0	0	111.6	I260 Q276 I278 P296 T351 T353 Q354 V357	F234-I260 HydrophobicContact CE2-CD1 4.15Å; F234-Q276 HydrophobicContact CD1-CB 3.68Å; F234-Q276 HydrophobicContact CE1-CB 3.84Å; F234-I278 HydrophobicContact CE2-CD1 3.96Å; F234-I278 HydrophobicContact CE2-CG1 4.41Å; F234-I278 HydrophobicContact CZ-CD1 3.57Å; F234-I278 HydrophobicContact CZ-CG1 3.71Å; F234-P296 HydrophobicContact CD1-CG 3.58Å; F234-P296 HydrophobicContact CE1-CG 3.29Å; F234-P296 HydrophobicContact CG-CG 4.41Å; F234-P296 HydrophobicContact CZ-CG 3.91Å; F234-T351 WeakPolarHBondContact O-CB 3.23Å; F234-T351 WeakPolarHBondContact O-CG2 3.4Å; F234-T351 PolarHBondContact O-OG1 3.39Å; F234-T353 HydrophobicContact CB-CG2 3.59Å; F234-T353 HydrophobicContact CD1-CG2 4.27Å; F234-T353 HydrophobicContact CG-CG2 4.01Å; F234-Q354 HydrophobicContact CB-CB 4.38Å; F234-Q354 HydrophobicContact CD2-CB 4.4Å; F234-V357 HydrophobicContact CD2-CB 4.42Å; F234-V357 HydrophobicContact CD2-CG2 4.06Å; F234-V357 HydrophobicContact CE2-CB 4.05Å; F234-V357 HydrophobicContact CE2-CG1 3.94Å; F234-V357 HydrophobicContact CE2-CG2 3.75Å; F234-V357 HydrophobicContact CZ-CG1 4.4Å; F234-V357 HydrophobicContact CZ-CG2 4.01Å
235	T	66.3	Low	60.6	Low	54 Å²	54	62.9 Å²	62.9	33%	0.331	37%	0.372	S	S	.	.			trans	-77.2	156.3	175.7	74.7	0	0	0	0	111.5	V233 N237	V233-T235 PolarHBondContact O-N 2.58Å; V233-T235 VanDerWaalsContact O-N 3.16Å; T235-N237 PolarHBondContact O-N 2.85Å
236	A	55.8	Low	59.2	Low	69 Å²	69	58.3 Å²	58.3	57%	0.57	34%	0.335	S	S	*	.	S	Bend	trans	-69.3	-16.9	179.7	0	0	0	0	0	114.1	L238	A236-L238 VanDerWaalsContact C-N 3.32Å; A236-L238 PolarHBondContact O-N 2.87Å
237	N	46.7	Very low	58.3	Low	114 Å²	114	58.2 Å²	58.2	61%	0.61	33%	0.332	S	S	*	.			trans	-81.4	74.4	-174.9	-75.9	-39.1	0	0	0	111.4	T235	T235-N237 PolarHBondContact O-N 2.85Å
238	L	46.3	Very low	58.1	Low	35 Å²	35	59 Å²	59	18%	0.183	33%	0.334	C	S	.	.			trans	-96.3	121.9	177.2	-61.2	173.4	0	0	0	110.9	A236 P296 R337 T353	A236-L238 VanDerWaalsContact C-N 3.32Å; A236-L238 PolarHBondContact O-N 2.87Å; L238-P296 HydrophobicContact CD1-CB 4.14Å; L238-P296 HydrophobicContact CD2-CB 4.43Å; L238-R337 VanDerWaalsContact CD1-NH2 3.33Å; L238-T353 HydrophobicContact CD1-CG2 3.69Å; L238-T353 HydrophobicContact CD2-CG2 4.45Å; L238-T353 HydrophobicContact CG-CG2 4.45Å
239	R	41.1	Very low	58	Low	176 Å²	176	56.6 Å²	56.6	66%	0.664	32%	0.324	S	S	*	.			trans	-131.2	144	161.1	-72.3	-170	177.3	-172.2	-0.6	107	Y275	R239-Y275 HydrophobicContact CB-CE1 3.89Å; R239-Y275 VanDerWaalsContact O-CD1 3.27Å; R239-Y275 WeakPolarHBondContact O-CD1 3.28Å; R239-Y275 WeakPolarHBondContact O-CE1 3.39Å
240	A	38.2	Very low	58.1	Low	29 Å²	29	59.6 Å²	59.6	24%	0.24	34%	0.338	C	S	.	.			trans	-59.5	136.4	-169.2	0	0	0	0	0	112.5	Y242 R301	A240-Y242 PolarHBondContact O-N 2.77Å; A240-R301 HydrophobicContact CB-CB 4.17Å; A240-R301 HydrophobicContact CB-CG 3.75Å
241	P	38.8	Very low	58.5	Low	34 Å²	34	58.7 Å²	58.7	22%	0.221	33%	0.328	C	S	.	.			trans	-58.9	130.4	150.2	-4	13.3	0	0	0	107.7	D243 F295 S297	P241-D243 PolarHBondContact O-N 2.85Å; P241-F295 HydrophobicContact CB-CD2 4.14Å; P241-F295 HydrophobicContact CB-CE2 4.2Å; P241-F295 HydrophobicContact CB-CG 4.43Å; P241-F295 HydrophobicContact CG-CB 3.56Å; P241-F295 HydrophobicContact CG-CD1 3.62Å; P241-F295 HydrophobicContact CG-CD2 3.22Å; P241-F295 HydrophobicContact CG-CE1 4.05Å; P241-F295 HydrophobicContact CG-CE2 3.7Å; P241-F295 HydrophobicContact CG-CG 3.17Å; P241-F295 HydrophobicContact CG-CZ 4.09Å; P241-S297 WeakPolarHBondContact CD-OG 3.36Å
242	Y	38.4	Very low	59.4	Low	96 Å²	96	58.2 Å²	58.2	38%	0.376	32%	0.323	S	S	.	.			trans	-57.6	102.3	165	-91.8	-102.2	0	0	0	109.3	A240 F270 F378	A240-Y242 PolarHBondContact O-N 2.77Å; Y242-F270 HydrophobicContact CD2-CE1 4.38Å; Y242-F270 AromaticContact CD2-CZ 3.86Å; Y242-F270 HydrophobicContact CD2-CZ 3.86Å; Y242-F270 HydrophobicContact CE2-CZ 4.19Å; Y242-F378 AromaticContact CZ-CD2 3.98Å; Y242-F378 WeakPolarHBondContact OH-CB 3.42Å; Y242-F378 WeakPolarHBondContact OH-CD2 3.26Å; Y242-F378 WeakPolarHBondContact OH-CG 3.32Å; Y242-F378 PolarHBondContact OH-N 2.85Å
243	D	46.2	Very low	60.7	Low	57 Å²	57	54.7 Å²	54.7	31%	0.305	30%	0.299	S	S	.	.			trans	-110.9	99.2	143.3	-160.1	-18.4	0	0	0	107.5	P241 L245 G246 Q247 R301	P241-D243 PolarHBondContact O-N 2.85Å; D243-L245 PolarHBondContact O-N 3.4Å; D243-L245 PolarHBondContact OD1-N 2.79Å; D243-G246 PolarHBondContact OD1-N 3.35Å; D243-G246 WeakPolarHBondContact OD2-CA 3.38Å; D243-G246 PolarHBondContact OD2-N 3Å; D243-Q247 PolarHBondContact OD2-N 2.83Å; D243-R301 PolarHBondContact O-NH1 3.26Å
244	P	39.7	Very low	62	Low	52 Å²	52	52.1 Å²	52.1	34%	0.338	28%	0.283	S	S	.	.	S	Bend	trans	-70.7	-5.9	176	27.9	-30.7	0	0	0	112	R174	R174-P244 PolarHBondContact NH2-O 3.14Å
245	L	41.6	Very low	62.9	Low	30 Å²	30	54.1 Å²	54.1	16%	0.157	29%	0.293	C	S	.	.	S	Bend	trans	-133.9	-14.4	179.8	-98.3	166.9	0	0	0	116	R174 I203 D243 R370	R174-L245 VanDerWaalsContact CZ-CD1 3.49Å; R174-L245 VanDerWaalsContact CZ-CD2 3.46Å; I203-L245 HydrophobicContact CD1-CD1 4.41Å; I203-L245 HydrophobicContact CD1-CD2 4.49Å; I203-L245 HydrophobicContact CG1-CD1 4.4Å; I203-L245 HydrophobicContact CG2-CD1 3.71Å; I203-L245 HydrophobicContact CG2-CD2 4.47Å; D243-L245 PolarHBondContact O-N 3.4Å; D243-L245 PolarHBondContact OD1-N 2.79Å; L245-R370 PolarHBondContact O-NH2 3.41Å
246	G	52.3	Low	64.2	Low	7 Å²	7	52 Å²	52	7%	0.072	28%	0.279	C	S	.	.			trans	59.7	104.5	179.9	0	0	0	0	0	110.2	D243 F248	D243-G246 PolarHBondContact OD1-N 3.35Å; D243-G246 WeakPolarHBondContact OD2-CA 3.38Å; D243-G246 PolarHBondContact OD2-N 3Å; G246-F248 PolarHBondContact O-N 3.06Å
247	Q	60.4	Low	66	Low	92 Å²	92	50.3 Å²	50.3	43%	0.43	26%	0.262	S	S	.	.	S	Bend	trans	-53.2	-15	164.9	-73	-172.9	0	0	0	112.6	F204 D243 K284	F204-Q247 HydrophobicContact CE1-CG 4.22Å; F204-Q247 HydrophobicContact CZ-CG 4.12Å; D243-Q247 PolarHBondContact OD2-N 2.83Å; Q247-K284 PolarHBondContact O-NZ 2.81Å
248	F	76	Confident	68.3	Low	31 Å²	31	48.7 Å²	48.7	14%	0.136	26%	0.264	C	S	.	.			trans	-70.6	128.7	174	-60.7	-58.9	0	0	0	114.1	G246 D252 I254 I282 I292 I367 R370 M394	G246-F248 PolarHBondContact O-N 3.06Å; F248-D252 VanDerWaalsContact CA-OD2 3.3Å; F248-D252 WeakPolarHBondContact CA-OD2 3.33Å; F248-I254 HydrophobicContact CD1-CD1 4.44Å; F248-I254 HydrophobicContact CE1-CD1 3.85Å; F248-I254 HydrophobicContact CE1-CG1 4.1Å; F248-I254 HydrophobicContact CZ-CD1 4.22Å; F248-I282 HydrophobicContact CD1-CD1 3.29Å; F248-I282 HydrophobicContact CE1-CD1 3.33Å; F248-I292 HydrophobicContact CE1-CD1 3.42Å; F248-I292 VanDerWaalsContact CE1-CD1 3.42Å; F248-I292 HydrophobicContact CZ-CD1 3.26Å; F248-I367 HydrophobicContact CB-CD1 3.43Å; F248-I367 VanDerWaalsContact CB-CD1 3.43Å; F248-I367 HydrophobicContact CD1-CD1 3.59Å; F248-I367 HydrophobicContact CE1-CD1 4.49Å; F248-I367 HydrophobicContact CG-CD1 3.61Å; F248-R370 WeakPolarHBondContact O-CD 3.35Å; F248-R370 PolarHBondContact O-NE 3.41Å; F248-R370 VanDerWaalsContact O-NE 3.16Å; F248-M394 HydrophobicContact CB-CE 3.53Å; F248-M394 HydrophobicContact CB-SD 3.8Å; F248-M394 HydrophobicContact CD2-CE 4.05Å; F248-M394 HydrophobicContact CD2-SD 4.11Å; F248-M394 HydrophobicContact CG-CE 4.26Å; F248-M394 HydrophobicContact CG-SD 4.23Å
249	A	82.8	Confident	70.4	Confident	43 Å²	43	51.6 Å²	51.6	36%	0.355	28%	0.284	S	S	.	.			trans	-108.6	165.5	167.5	0	0	0	0	0	111.2	D252	A249-D252 PolarHBondContact N-OD2 2.83Å; A249-D252 WeakPolarHBondContact O-CB 3.11Å; A249-D252 PolarHBondContact O-N 3.19Å
250	E	88.8	Confident	72.6	Confident	101 Å²	101	45.5 Å²	45.5	47%	0.472	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	140.3	164.1	-63.7	-172.2	169.6	0	0	109.8	D252 A285 K369 R370	E250-D252 VanDerWaalsContact C-N 3.31Å; E250-A285 WeakPolarHBondContact O-CB 3.38Å; E250-K369 VanDerWaalsContact OE1-CA 3.32Å; E250-K369 WeakPolarHBondContact OE1-CA 3.5Å; E250-R370 HydrophobicContact CG-CB 3.66Å; E250-R370 PolarHBondContact OE1-N 3Å
251	G	90.2	Very high	75	Confident	21 Å²	21	46.9 Å²	46.9	22%	0.216	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-16.7	-176.6	0	0	0	0	0	114.6	I367	G251-I367 PolarHBondContact N-O 3.35Å
252	D	89.8	Confident	77.2	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	29%	0.287	C	S	.	.			trans	-61.7	139.9	174.2	-75	4	0	0	0	111	F248 A249 E250 I282 T283 K284 A285 K366 I367	F248-D252 VanDerWaalsContact CA-OD2 3.3Å; F248-D252 WeakPolarHBondContact CA-OD2 3.33Å; A249-D252 PolarHBondContact N-OD2 2.83Å; A249-D252 WeakPolarHBondContact O-CB 3.11Å; A249-D252 PolarHBondContact O-N 3.19Å; E250-D252 VanDerWaalsContact C-N 3.31Å; D252-I282 HydrophobicContact CB-CD1 3.84Å; D252-I282 HydrophobicContact CB-CG1 4.32Å; D252-T283 CarbonylContact C-O 3.52Å; D252-T283 WeakPolarHBondContact CA-O 3.37Å; D252-K284 VanDerWaalsContact OD1-CA 3.23Å; D252-K284 WeakPolarHBondContact OD1-CA 3.46Å; D252-K284 WeakPolarHBondContact OD1-CD 3.3Å; D252-K284 VanDerWaalsContact OD2-CD 3.26Å; D252-K284 WeakPolarHBondContact OD2-CD 2.99Å; D252-K284 IonicContact OD2-NZ 2.76Å; D252-K284 PolarHBondContact OD2-NZ 2.9Å; D252-A285 PolarHBondContact OD1-N 3.17Å; D252-K366 WeakPolarHBondContact O-CA 3.47Å; D252-I367 HydrophobicContact CB-CD1 4.15Å; D252-I367 PolarHBondContact O-N 2.86Å
253	I	93.5	Very high	79.5	Confident	47 Å²	47	47.7 Å²	47.7	24%	0.241	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.9	-179.8	-58.7	174	0	0	0	109.1	E255 I282 T283 K364 V365 K366	I253-E255 HydrophobicContact CG2-CG 4.42Å; I253-I282 CarbonylContact O-C 3.54Å; I253-I282 VanDerWaalsContact O-CA 3.3Å; I253-I282 WeakPolarHBondContact O-CA 3.29Å; I253-T283 PolarHBondContact N-O 3.31Å; I253-T283 PolarHBondContact O-N 3.43Å; I253-K364 HydrophobicContact CG2-CB 3.99Å; I253-K364 HydrophobicContact CG2-CD 4.32Å; I253-V365 CarbonylContact C-O 3.55Å; I253-V365 WeakPolarHBondContact CA-O 3.38Å; I253-K366 HydrophobicContact CG1-CB 4.31Å; I253-K366 HydrophobicContact CG1-CG 4.27Å
254	I	93.3	Very high	81.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.1	174.8	-53.9	171.4	0	0	0	108.1	F248 F256 L280 I282 K364 V365 I367 F396	F248-I254 HydrophobicContact CD1-CD1 4.44Å; F248-I254 HydrophobicContact CE1-CD1 3.85Å; F248-I254 HydrophobicContact CE1-CG1 4.1Å; F248-I254 HydrophobicContact CZ-CD1 4.22Å; I254-F256 HydrophobicContact CB-CE2 4.37Å; I254-F256 HydrophobicContact CG2-CD2 4.23Å; I254-F256 HydrophobicContact CG2-CE2 3.78Å; I254-F256 HydrophobicContact CG2-CZ 4.31Å; I254-L280 HydrophobicContact CG2-CB 4.23Å; I254-L280 HydrophobicContact CG2-CD1 3.64Å; I254-I282 HydrophobicContact CG1-CD1 4.36Å; I254-K364 WeakPolarHBondContact O-CA 3.28Å; I254-V365 HydrophobicContact CB-CB 4.48Å; I254-V365 PolarHBondContact N-O 2.89Å; I254-V365 PolarHBondContact O-N 3.02Å; I254-I367 HydrophobicContact CD1-CD1 4.4Å; I254-F396 HydrophobicContact CD1-CD1 4.48Å; I254-F396 HydrophobicContact CD1-CE1 4.19Å
255	E	94.7	Very high	83.9	Confident	45 Å²	45	43.7 Å²	43.7	21%	0.21	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.2	178.5	-54.5	-166.8	165.8	0	0	109.9	I253 K281 K364	I253-E255 HydrophobicContact CG2-CG 4.42Å; E255-K281 HydrophobicContact CB-CB 4.34Å; E255-K281 PolarHBondContact N-O 2.93Å; E255-K281 IonicContact OE2-NZ 3.1Å; E255-K364 HydrophobicContact CG-CD 4.32Å; E255-K364 HydrophobicContact CG-CG 4.17Å; E255-K364 WeakPolarHBondContact OE1-CE 3.18Å; E255-K364 IonicContact OE1-NZ 3.46Å; E255-K364 PolarHBondContact OE1-NZ 3.28Å
256	F	94.5	Very high	86.1	Confident	9 Å²	9	42.3 Å²	42.3	4%	0.039	25%	0.253	C	S	.	.			trans	-83.4	135.7	175	-75.1	-98	0	0	0	110	I254 L280 W294 L360 G362 K363 V365	I254-F256 HydrophobicContact CB-CE2 4.37Å; I254-F256 HydrophobicContact CG2-CD2 4.23Å; I254-F256 HydrophobicContact CG2-CE2 3.78Å; I254-F256 HydrophobicContact CG2-CZ 4.31Å; F256-L280 HydrophobicContact CD1-CD1 3.83Å; F256-L280 HydrophobicContact CD1-CD2 4.27Å; F256-L280 HydrophobicContact CD2-CD1 4.46Å; F256-L280 HydrophobicContact CE1-CD1 3.54Å; F256-L280 HydrophobicContact CE2-CD1 4.21Å; F256-L280 HydrophobicContact CG-CD1 4.28Å; F256-L280 HydrophobicContact CZ-CD1 3.74Å; F256-W294 HydrophobicContact CE1-CD2 4.07Å; F256-W294 AromaticContact CE1-CE3 3.96Å; F256-W294 HydrophobicContact CE1-CE3 3.96Å; F256-W294 AromaticContact CE1-CH2 3.75Å; F256-W294 HydrophobicContact CE1-CH2 3.75Å; F256-W294 AromaticContact CE1-CZ2 3.89Å; F256-W294 HydrophobicContact CE1-CZ2 3.89Å; F256-W294 AromaticContact CE1-CZ3 3.8Å; F256-W294 HydrophobicContact CE1-CZ3 3.8Å; F256-W294 HydrophobicContact CZ-CD2 4.09Å; F256-W294 AromaticContact CZ-CE2 3.69Å; F256-W294 HydrophobicContact CZ-CE3 4.43Å; F256-W294 HydrophobicContact CZ-CH2 4.02Å; F256-W294 AromaticContact CZ-CZ2 3.67Å; F256-W294 HydrophobicContact CZ-CZ2 3.67Å; F256-W294 HydrophobicContact CZ-CZ3 4.4Å; F256-L360 HydrophobicContact CB-CB 4.44Å; F256-L360 WeakPolarHBondContact CB-O 3.16Å; F256-L360 HydrophobicContact CD1-CB 3.62Å; F256-L360 HydrophobicContact CD1-CD1 4.26Å; F256-L360 HydrophobicContact CD2-CB 4.11Å; F256-L360 HydrophobicContact CE1-CB 3.82Å; F256-L360 HydrophobicContact CE1-CD1 3.55Å; F256-L360 HydrophobicContact CE1-CG 4.34Å; F256-L360 HydrophobicContact CE2-CB 4.29Å; F256-L360 HydrophobicContact CE2-CD1 4.12Å; F256-L360 HydrophobicContact CG-CB 3.79Å; F256-L360 HydrophobicContact CZ-CB 4.16Å; F256-L360 HydrophobicContact CZ-CD1 3.48Å; F256-L360 VanDerWaalsContact CZ-CD1 3.48Å; F256-L360 HydrophobicContact CZ-CG 4.41Å; F256-G362 PolarHBondContact O-N 3.41Å; F256-K363 PolarHBondContact N-O 2.96Å; F256-V365 HydrophobicContact CD2-CG2 3.94Å; F256-V365 HydrophobicContact CE2-CB 4.18Å; F256-V365 HydrophobicContact CE2-CG2 3.68Å
257	P	93.1	Very high	87.7	Confident	34 Å²	34	43 Å²	43	22%	0.221	26%	0.256	C	S	.	.			trans	-65.8	154.3	-179	32.4	-39.6	0	0	0	110.2	T259 I264 L280 L361 G362	P257-T259 WeakPolarHBondContact CB-O 3.33Å; P257-T259 PolarHBondContact O-N 3.01Å; P257-I264 HydrophobicContact CB-CD1 4.04Å; P257-I264 HydrophobicContact CG-CD1 3.67Å; P257-L280 HydrophobicContact CG-CD2 4.29Å; P257-L361 HydrophobicContact CG-CD2 4.33Å; P257-L361 CarbonylContact O-C 3.58Å; P257-L361 WeakPolarHBondContact O-CA 3.35Å; P257-L361 WeakPolarHBondContact O-CB 3.22Å; P257-L361 WeakPolarHBondContact O-CD2 3.08Å; P257-G362 PolarHBondContact O-N 2.95Å
258	A	94	Very high	88.8	Confident	80 Å²	80	41.1 Å²	41.1	66%	0.661	25%	0.247	S	C	*	.	S	Bend	trans	-62.7	-31.7	175.1	0	0	0	0	0	112.4
259	T	91	Very high	88.8	Confident	96 Å²	96	43.8 Å²	43.8	59%	0.589	26%	0.261	S	S	*	.	S	Bend	trans	-141.6	154.5	177.6	57	0	0	0	0	110.5	P257	P257-T259 WeakPolarHBondContact CB-O 3.33Å; P257-T259 PolarHBondContact O-N 3.01Å
260	I	88	Confident	88	Confident	48 Å²	48	45.3 Å²	45.3	25%	0.246	26%	0.26	C	S	.	.			trans	-92.6	120	174.1	-57.9	172.6	0	0	0	108.3	F234 M265 I278 V357 L361	F234-I260 HydrophobicContact CE2-CD1 4.15Å; I260-M265 HydrophobicContact CG2-CB 4.12Å; I260-M265 HydrophobicContact CG2-CE 4Å; I260-M265 HydrophobicContact CG2-SD 4.28Å; I260-I278 HydrophobicContact CD1-CD1 3.98Å; I260-I278 HydrophobicContact CG1-CD1 4.24Å; I260-V357 HydrophobicContact CD1-CG1 3.86Å; I260-L361 HydrophobicContact CD1-CD1 4.45Å; I260-L361 HydrophobicContact CD1-CD2 4.09Å; I260-L361 HydrophobicContact CG1-CD1 4.28Å; I260-L361 HydrophobicContact CG1-CD2 3.68Å
261	T	87.8	Confident	87	Confident	59 Å²	59	45.2 Å²	45.2	36%	0.362	26%	0.263	S	S	.	.			trans	-108.3	157.5	174.2	53.2	0	0	0	0	110.4	D263 I264 M265	T261-D263 WeakPolarHBondContact CB-OD1 3.2Å; T261-D263 PolarHBondContact O-N 3.48Å; T261-D263 PolarHBondContact OG1-OD1 3.14Å; T261-I264 VanDerWaalsContact O-CG1 3.31Å; T261-I264 WeakPolarHBondContact O-CG1 3.33Å; T261-I264 PolarHBondContact O-N 2.6Å; T261-M265 PolarHBondContact O-N 3.27Å
262	S	85.4	Confident	86.1	Confident	82 Å²	82	47.3 Å²	47.3	57%	0.573	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.3	-176.9	58.4	0	0	0	0	113.5	G230	G230-S262 WeakPolarHBondContact CA-O 3.24Å; G230-S262 PolarHBondContact N-O 3.14Å
263	D	86.1	Confident	85.2	Confident	65 Å²	65	51.3 Å²	51.3	35%	0.348	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-27.3	179.4	65.4	-55.2	0	0	0	113.1	K214 L218 M229 T261	K214-D263 WeakPolarHBondContact CE-OD2 3.29Å; K214-D263 IonicContact NZ-OD2 2.89Å; K214-D263 PolarHBondContact NZ-OD2 3.38Å; L218-D263 WeakPolarHBondContact CD2-O 3.47Å; M229-D263 WeakPolarHBondContact CE-O 3.44Å; T261-D263 WeakPolarHBondContact CB-OD1 3.2Å; T261-D263 PolarHBondContact O-N 3.48Å; T261-D263 PolarHBondContact OG1-OD1 3.14Å
264	I	89.3	Confident	84.4	Confident	9 Å²	9	52.1 Å²	52.1	5%	0.046	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-14	179.7	64.7	174.5	0	0	0	113.3	P257 T261 I278 V279	P257-I264 HydrophobicContact CB-CD1 4.04Å; P257-I264 HydrophobicContact CG-CD1 3.67Å; T261-I264 VanDerWaalsContact O-CG1 3.31Å; T261-I264 WeakPolarHBondContact O-CG1 3.33Å; T261-I264 PolarHBondContact O-N 2.6Å; I264-I278 HydrophobicContact CB-CG2 4.32Å; I264-I278 HydrophobicContact CD1-CG2 3.85Å; I264-I278 HydrophobicContact CG1-CG2 4.06Å; I264-I278 CarbonylContact O-C 3.56Å; I264-I278 WeakPolarHBondContact O-CA 3.06Å; I264-V279 HydrophobicContact CB-CB 4.37Å; I264-V279 PolarHBondContact O-N 3.37Å
265	M	89.6	Confident	83.5	Confident	16 Å²	16	52.9 Å²	52.9	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.6	177.8	179.9	166.6	42.3	0	0	110.4	G230 G231 I260 T261 F277	G230-M265 PolarHBondContact N-O 2.72Å; G231-M265 PolarHBondContact N-O 3.46Å; G231-M265 WeakPolarHBondContact O-CE 3.49Å; I260-M265 HydrophobicContact CG2-CB 4.12Å; I260-M265 HydrophobicContact CG2-CE 4Å; I260-M265 HydrophobicContact CG2-SD 4.28Å; T261-M265 PolarHBondContact O-N 3.27Å; M265-F277 WeakPolarHBondContact CA-O 3.36Å
266	G	88.5	Confident	83	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	171.7	178.8	0	0	0	0	0	112.8	T228 Q276 F277	T228-G266 CarbonylContact O-C 3.54Å; T228-G266 WeakPolarHBondContact O-CA 2.98Å; G266-Q276 VanDerWaalsContact O-CA 3.27Å; G266-Q276 WeakPolarHBondContact O-CA 3.12Å; G266-F277 PolarHBondContact N-O 2.97Å; G266-F277 WeakPolarHBondContact O-CD1 3.46Å; G266-F277 PolarHBondContact O-N 3.2Å
267	T	85.6	Confident	82.6	Confident	23 Å²	23	51.1 Å²	51.1	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.2	175.4	-56	0	0	0	0	108.9	I227 T228 P274 Y275 Q276	I227-T267 CarbonylContact C-O 3.45Å; I227-T267 WeakPolarHBondContact CA-O 3.26Å; T228-T267 PolarHBondContact N-O 2.97Å; T228-T267 PolarHBondContact O-N 3.45Å; T267-P274 HydrophobicContact CG2-CB 3.44Å; T267-P274 VanDerWaalsContact CG2-CB 3.44Å; T267-Y275 CarbonylContact C-O 3.56Å; T267-Y275 VanDerWaalsContact CA-O 3.26Å; T267-Y275 WeakPolarHBondContact CA-O 3.17Å; T267-Q276 HydrophobicContact CG2-CG 4.42Å
268	Q	82.1	Confident	82.4	Confident	52 Å²	52	49.5 Å²	49.5	24%	0.243	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.8	172.1	-174.4	174.2	22.5	0	0	109.8	N226 I227 Y275 F277 F295	N226-Q268 WeakPolarHBondContact O-CA 3.44Å; I227-Q268 HydrophobicContact CG1-CB 4.04Å; I227-Q268 HydrophobicContact CG1-CG 3.81Å; Q268-Y275 PolarHBondContact N-O 3.45Å; Q268-Y275 PolarHBondContact O-N 3.03Å; Q268-F277 HydrophobicContact CB-CD1 4.35Å; Q268-F277 HydrophobicContact CB-CE1 4.22Å; Q268-F295 HydrophobicContact CB-CE1 4.47Å; Q268-F295 HydrophobicContact CB-CZ 4.47Å
269	M	76.4	Confident	82.2	Confident	87 Å²	87	46 Å²	46	43%	0.429	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.4	173.1	-66.2	-58.7	-68.3	0	0	110.4	N226 P274	N226-M269 PolarHBondContact O-N 2.95Å; M269-P274 HydrophobicContact SD-CB 3.81Å
270	F	66.5	Low	82.2	Confident	74 Å²	74	41.6 Å²	41.6	33%	0.325	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	126.9	174	-179.4	-97.4	0	0	0	110.7	Y242 G272 K273 Y275	Y242-F270 HydrophobicContact CD2-CE1 4.38Å; Y242-F270 AromaticContact CD2-CZ 3.86Å; Y242-F270 HydrophobicContact CD2-CZ 3.86Å; Y242-F270 HydrophobicContact CE2-CZ 4.19Å; F270-G272 PolarHBondContact O-N 3.3Å; F270-G272 VanDerWaalsContact O-N 3.13Å; F270-K273 PolarHBondContact N-O 2.91Å; F270-K273 PolarHBondContact O-N 3.23Å; F270-Y275 HydrophobicContact CB-CD2 3.68Å; F270-Y275 HydrophobicContact CB-CE2 3.57Å; F270-Y275 HydrophobicContact CD1-CE2 4.05Å; F270-Y275 HydrophobicContact CG-CE2 4.31Å; F270-Y275 WeakPolarHBondContact O-CE2 3.3Å
271	N	68.1	Low	82.4	Confident	99 Å²	99	41.1 Å²	41.1	53%	0.529	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	41.8	-175.1	-69.3	-12	0	0	0	113.4	K273 N381	N271-K273 PolarHBondContact O-N 3.29Å; N271-N381 PolarHBondContact ND2-OD1 3.41Å
272	G	70.6	Confident	82.5	Confident	66 Å²	66	38.3 Å²	38.3	68%	0.68	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	5.5	-179.9	0	0	0	0	0	115.5	F270	F270-G272 PolarHBondContact O-N 3.3Å; F270-G272 VanDerWaalsContact O-N 3.13Å
273	K	71.8	Confident	82.7	Confident	87 Å²	87	35.7 Å²	35.7	38%	0.378	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.8	176.7	-62.3	-168.5	179.4	-165.3	0	111.3	F270 N271 Y275	F270-K273 PolarHBondContact N-O 2.91Å; F270-K273 PolarHBondContact O-N 3.23Å; N271-K273 PolarHBondContact O-N 3.29Å; K273-Y275 HydrophobicContact CB-CD2 4.46Å; K273-Y275 HydrophobicContact CB-CE2 3.65Å; K273-Y275 WeakPolarHBondContact O-CD2 3.49Å; K273-Y275 VanDerWaalsContact O-CE2 3.28Å; K273-Y275 WeakPolarHBondContact O-CE2 3.02Å
274	P	75.1	Confident	82.8	Confident	64 Å²	64	34.1 Å²	34.1	42%	0.416	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.6	171.7	29.5	-31.8	0	0	0	110.6	T267 M269	T267-P274 HydrophobicContact CG2-CB 3.44Å; T267-P274 VanDerWaalsContact CG2-CB 3.44Å; M269-P274 HydrophobicContact SD-CB 3.81Å
275	Y	76.5	Confident	82.3	Confident	15 Å²	15	36.9 Å²	36.9	6%	0.059	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.2	173.6	-65.2	-90	0	0	0	110	R239 T267 Q268 F270 K273	R239-Y275 HydrophobicContact CB-CE1 3.89Å; R239-Y275 VanDerWaalsContact O-CD1 3.27Å; R239-Y275 WeakPolarHBondContact O-CD1 3.28Å; R239-Y275 WeakPolarHBondContact O-CE1 3.39Å; T267-Y275 CarbonylContact C-O 3.56Å; T267-Y275 VanDerWaalsContact CA-O 3.26Å; T267-Y275 WeakPolarHBondContact CA-O 3.17Å; Q268-Y275 PolarHBondContact N-O 3.45Å; Q268-Y275 PolarHBondContact O-N 3.03Å; F270-Y275 HydrophobicContact CB-CD2 3.68Å; F270-Y275 HydrophobicContact CB-CE2 3.57Å; F270-Y275 HydrophobicContact CD1-CE2 4.05Å; F270-Y275 HydrophobicContact CG-CE2 4.31Å; F270-Y275 WeakPolarHBondContact O-CE2 3.3Å; K273-Y275 HydrophobicContact CB-CD2 4.46Å; K273-Y275 HydrophobicContact CB-CE2 3.65Å; K273-Y275 WeakPolarHBondContact O-CD2 3.49Å; K273-Y275 VanDerWaalsContact O-CE2 3.28Å; K273-Y275 WeakPolarHBondContact O-CE2 3.02Å
276	Q	83.6	Confident	81.7	Confident	18 Å²	18	39.9 Å²	39.9	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	143.5	179.3	-70.2	-174.7	2.7	0	0	112.2	V233 F234 G266 T267 F295 P296	V233-Q276 PolarHBondContact O-NE2 3.01Å; V233-Q276 PolarHBondContact O-OE1 2.78Å; F234-Q276 HydrophobicContact CD1-CB 3.68Å; F234-Q276 HydrophobicContact CE1-CB 3.84Å; G266-Q276 VanDerWaalsContact O-CA 3.27Å; G266-Q276 WeakPolarHBondContact O-CA 3.12Å; T267-Q276 HydrophobicContact CG2-CG 4.42Å; Q276-F295 WeakPolarHBondContact O-CD1 3.22Å; Q276-P296 WeakPolarHBondContact O-CD 3.34Å
277	F	85.6	Confident	81.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.9	-178.9	66.2	-93.4	0	0	0	111	I227 M229 M265 G266 Q268 V279 N293 W294 F295	I227-F277 HydrophobicContact CG2-CE1 3.79Å; I227-F277 HydrophobicContact CG2-CZ 3.54Å; M229-F277 HydrophobicContact SD-CE2 4.35Å; M229-F277 HydrophobicContact SD-CZ 3.99Å; M265-F277 WeakPolarHBondContact CA-O 3.36Å; G266-F277 PolarHBondContact N-O 2.97Å; G266-F277 WeakPolarHBondContact O-CD1 3.46Å; G266-F277 PolarHBondContact O-N 3.2Å; Q268-F277 HydrophobicContact CB-CD1 4.35Å; Q268-F277 HydrophobicContact CB-CE1 4.22Å; F277-V279 HydrophobicContact CD2-CG2 4.4Å; F277-V279 HydrophobicContact CE2-CG2 3.96Å; F277-N293 HydrophobicContact CB-CB 4.45Å; F277-N293 HydrophobicContact CD2-CB 3.73Å; F277-N293 HydrophobicContact CE2-CB 4.16Å; F277-N293 WeakPolarHBondContact CE2-OD1 3.12Å; F277-N293 HydrophobicContact CG-CB 4.1Å; F277-W294 CarbonylContact C-O 3.42Å; F277-W294 WeakPolarHBondContact CA-O 3.36Å; F277-W294 VanDerWaalsContact CB-O 3.25Å; F277-W294 WeakPolarHBondContact CB-O 3.38Å; F277-F295 HydrophobicContact CB-CD1 3.68Å; F277-F295 HydrophobicContact CB-CD2 4.04Å; F277-F295 HydrophobicContact CB-CE1 3.61Å; F277-F295 HydrophobicContact CB-CE2 3.97Å; F277-F295 HydrophobicContact CB-CG 3.9Å; F277-F295 HydrophobicContact CB-CZ 3.75Å; F277-F295 AromaticContact CD1-CE1 3.89Å; F277-F295 HydrophobicContact CD1-CE1 3.89Å; F277-F295 AromaticContact CD1-CZ 3.9Å; F277-F295 HydrophobicContact CD1-CZ 3.9Å; F277-F295 HydrophobicContact CG-CE1 4.15Å; F277-F295 HydrophobicContact CG-CE2 4.5Å; F277-F295 HydrophobicContact CG-CZ 4.05Å
278	I	88.6	Confident	81.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139	168.1	-61.4	159.8	0	0	0	108.3	F234 I260 I264 L280 W294 V357	F234-I278 HydrophobicContact CE2-CD1 3.96Å; F234-I278 HydrophobicContact CE2-CG1 4.41Å; F234-I278 HydrophobicContact CZ-CD1 3.57Å; F234-I278 HydrophobicContact CZ-CG1 3.71Å; I260-I278 HydrophobicContact CD1-CD1 3.98Å; I260-I278 HydrophobicContact CG1-CD1 4.24Å; I264-I278 HydrophobicContact CB-CG2 4.32Å; I264-I278 HydrophobicContact CD1-CG2 3.85Å; I264-I278 HydrophobicContact CG1-CG2 4.06Å; I264-I278 CarbonylContact O-C 3.56Å; I264-I278 WeakPolarHBondContact O-CA 3.06Å; I278-L280 HydrophobicContact CB-CD2 4.08Å; I278-L280 HydrophobicContact CB-CG 4.31Å; I278-L280 HydrophobicContact CG2-CD2 3.45Å; I278-L280 VanDerWaalsContact CG2-CD2 3.45Å; I278-L280 HydrophobicContact CG2-CG 4.12Å; I278-L280 PolarHBondContact O-N 2.93Å; I278-W294 PolarHBondContact N-O 3.41Å; I278-W294 PolarHBondContact O-N 3.39Å; I278-V357 HydrophobicContact CD1-CG1 3.68Å
279	V	90	Very high	81.4	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	111.2	167	179.4	0	0	0	0	109	R217 L218 I264 F277 Y291 I292	R217-V279 HydrophobicContact CB-CG1 4.26Å; R217-V279 HydrophobicContact CG-CG1 3.67Å; R217-V279 HydrophobicContact CG-CG2 4.19Å; L218-V279 HydrophobicContact CD2-CB 4.36Å; L218-V279 HydrophobicContact CD2-CG2 3.86Å; I264-V279 HydrophobicContact CB-CB 4.37Å; I264-V279 PolarHBondContact O-N 3.37Å; F277-V279 HydrophobicContact CD2-CG2 4.4Å; F277-V279 HydrophobicContact CE2-CG2 3.96Å; V279-Y291 HydrophobicContact CG1-CD1 4.12Å; V279-I292 CarbonylContact C-O 3.5Å; V279-I292 VanDerWaalsContact CA-O 3.28Å; V279-I292 WeakPolarHBondContact CA-O 3.42Å
280	L	91.1	Very high	81.7	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148.1	-178.2	-61.1	-174.5	0	0	0	111.1	I254 F256 P257 I278 Y291 I292 W294	I254-L280 HydrophobicContact CG2-CB 4.23Å; I254-L280 HydrophobicContact CG2-CD1 3.64Å; F256-L280 HydrophobicContact CD1-CD1 3.83Å; F256-L280 HydrophobicContact CD1-CD2 4.27Å; F256-L280 HydrophobicContact CD2-CD1 4.46Å; F256-L280 HydrophobicContact CE1-CD1 3.54Å; F256-L280 HydrophobicContact CE2-CD1 4.21Å; F256-L280 HydrophobicContact CG-CD1 4.28Å; F256-L280 HydrophobicContact CZ-CD1 3.74Å; P257-L280 HydrophobicContact CG-CD2 4.29Å; I278-L280 HydrophobicContact CB-CD2 4.08Å; I278-L280 HydrophobicContact CB-CG 4.31Å; I278-L280 HydrophobicContact CG2-CD2 3.45Å; I278-L280 VanDerWaalsContact CG2-CD2 3.45Å; I278-L280 HydrophobicContact CG2-CG 4.12Å; I278-L280 PolarHBondContact O-N 2.93Å; L280-Y291 CarbonylContact O-C 3.55Å; L280-Y291 VanDerWaalsContact O-CA 3.3Å; L280-Y291 WeakPolarHBondContact O-CA 3.17Å; L280-I292 HydrophobicContact CB-CG1 4.49Å; L280-I292 PolarHBondContact N-O 3.11Å; L280-I292 PolarHBondContact O-N 2.87Å; L280-W294 HydrophobicContact CB-CB 4.3Å; L280-W294 HydrophobicContact CD1-CB 3.38Å; L280-W294 HydrophobicContact CD1-CD2 3.77Å; L280-W294 HydrophobicContact CD1-CE3 4.07Å; L280-W294 HydrophobicContact CD1-CG 3.47Å; L280-W294 VanDerWaalsContact CD1-CG 3.47Å; L280-W294 HydrophobicContact CG-CB 3.76Å; L280-W294 HydrophobicContact CG-CG 4.37Å
281	K	92.4	Very high	82.7	Confident	39 Å²	39	41.3 Å²	41.3	17%	0.17	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.6	166.8	-178.3	179.9	173.4	-177.2	0	109.1	E255 E289 N290 Y291	E255-K281 HydrophobicContact CB-CB 4.34Å; E255-K281 PolarHBondContact N-O 2.93Å; E255-K281 IonicContact OE2-NZ 3.1Å; K281-E289 VanDerWaalsContact CE-OE1 3.24Å; K281-E289 WeakPolarHBondContact CE-OE1 3.4Å; K281-E289 WeakPolarHBondContact CE-OE2 3.24Å; K281-E289 IonicContact NZ-OE1 2.77Å; K281-E289 PolarHBondContact NZ-OE1 3.2Å; K281-E289 IonicContact NZ-OE2 3.54Å; K281-E289 PolarHBondContact NZ-OE2 3.26Å; K281-N290 CarbonylContact C-O 3.54Å; K281-N290 WeakPolarHBondContact CA-O 3.5Å; K281-Y291 HydrophobicContact CB-CD1 4.2Å; K281-Y291 HydrophobicContact CB-CE1 3.77Å; K281-Y291 HydrophobicContact CB-CE2 4.5Å; K281-Y291 HydrophobicContact CG-CE1 4.44Å; K281-Y291 HydrophobicContact CG-CE2 4.32Å
282	I	89.8	Confident	83.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132	168.2	176.7	160.2	0	0	0	109.5	F248 D252 I253 I254 K284 E289 N290 I292	F248-I282 HydrophobicContact CD1-CD1 3.29Å; F248-I282 HydrophobicContact CE1-CD1 3.33Å; D252-I282 HydrophobicContact CB-CD1 3.84Å; D252-I282 HydrophobicContact CB-CG1 4.32Å; I253-I282 CarbonylContact O-C 3.54Å; I253-I282 VanDerWaalsContact O-CA 3.3Å; I253-I282 WeakPolarHBondContact O-CA 3.29Å; I254-I282 HydrophobicContact CG1-CD1 4.36Å; I282-K284 HydrophobicContact CD1-CD 4.42Å; I282-K284 HydrophobicContact CG1-CD 4.44Å; I282-E289 CarbonylContact O-C 3.51Å; I282-E289 WeakPolarHBondContact O-CA 3.39Å; I282-N290 HydrophobicContact CG2-CB 3.81Å; I282-N290 WeakPolarHBondContact CG2-O 3.34Å; I282-N290 PolarHBondContact N-O 3.37Å; I282-N290 PolarHBondContact O-N 3.42Å; I282-I292 HydrophobicContact CG2-CD1 4.5Å; I282-I292 HydrophobicContact CG2-CG1 4.19Å; I282-I292 HydrophobicContact CG2-CG2 3.81Å
283	T	90.5	Very high	84.2	Confident	26 Å²	26	35.7 Å²	35.7	16%	0.16	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.4	167.3	-54.3	0	0	0	0	107.8	D252 I253 Q288	D252-T283 CarbonylContact C-O 3.52Å; D252-T283 WeakPolarHBondContact CA-O 3.37Å; I253-T283 PolarHBondContact N-O 3.31Å; I253-T283 PolarHBondContact O-N 3.43Å; T283-Q288 CarbonylContact C-O 3.57Å; T283-Q288 WeakPolarHBondContact CA-O 3.45Å
284	K	86.2	Confident	85	Confident	33 Å²	33	31.7 Å²	31.7	14%	0.143	20%	0.201	C	C	.	.			trans	-66.7	156.3	177	-62.8	-61.5	178.8	-177.5	0	111.1	Q247 D252 I282 G286 G287 Q288	Q247-K284 PolarHBondContact O-NZ 2.81Å; D252-K284 VanDerWaalsContact OD1-CA 3.23Å; D252-K284 WeakPolarHBondContact OD1-CA 3.46Å; D252-K284 WeakPolarHBondContact OD1-CD 3.3Å; D252-K284 VanDerWaalsContact OD2-CD 3.26Å; D252-K284 WeakPolarHBondContact OD2-CD 2.99Å; D252-K284 IonicContact OD2-NZ 2.76Å; D252-K284 PolarHBondContact OD2-NZ 2.9Å; I282-K284 HydrophobicContact CD1-CD 4.42Å; I282-K284 HydrophobicContact CG1-CD 4.44Å; K284-G286 PolarHBondContact O-N 2.89Å; K284-G286 VanDerWaalsContact O-N 3.07Å; K284-G287 WeakPolarHBondContact O-CA 3.3Å; K284-G287 PolarHBondContact O-N 3.3Å; K284-Q288 HydrophobicContact CB-CB 4.14Å; K284-Q288 WeakPolarHBondContact CB-O 3.37Å; K284-Q288 HydrophobicContact CG-CB 4.28Å; K284-Q288 PolarHBondContact N-O 2.69Å
285	A	79.6	Confident	85.4	Confident	66 Å²	66	29.3 Å²	29.3	55%	0.545	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-32.8	175.7	0	0	0	0	0	113.3	E250 D252 G287	E250-A285 WeakPolarHBondContact O-CB 3.38Å; D252-A285 PolarHBondContact OD1-N 3.17Å; A285-G287 PolarHBondContact O-N 3.37Å
286	G	77.7	Confident	85.7	Confident	80 Å²	80	28.6 Å²	28.6	83%	0.825	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	8.2	173.6	0	0	0	0	0	115.7	K284 Q288	K284-G286 PolarHBondContact O-N 2.89Å; K284-G286 VanDerWaalsContact O-N 3.07Å; G286-Q288 VanDerWaalsContact C-N 3.31Å; G286-Q288 PolarHBondContact O-N 3.44Å
287	G	81.6	Confident	85.4	Confident	52 Å²	52	27.9 Å²	27.9	54%	0.536	18%	0.178	S	C	.	.	S	Bend	trans	84.3	-5.9	-179	0	0	0	0	0	115.2	K284 A285 E289	K284-G287 WeakPolarHBondContact O-CA 3.3Å; K284-G287 PolarHBondContact O-N 3.3Å; A285-G287 PolarHBondContact O-N 3.37Å; G287-E289 PolarHBondContact O-N 2.86Å
288	Q	81.1	Confident	85.1	Confident	63 Å²	63	29.4 Å²	29.4	29%	0.294	19%	0.189	S	C	.	.			trans	-69	130.9	-179.8	-174.4	-174.2	5.5	0	0	111.9	I209 T283 K284 G286	I209-Q288 VanDerWaalsContact CB-NE2 3.33Å; I209-Q288 PolarHBondContact O-NE2 3.19Å; T283-Q288 CarbonylContact C-O 3.57Å; T283-Q288 WeakPolarHBondContact CA-O 3.45Å; K284-Q288 HydrophobicContact CB-CB 4.14Å; K284-Q288 WeakPolarHBondContact CB-O 3.37Å; K284-Q288 HydrophobicContact CG-CB 4.28Å; K284-Q288 PolarHBondContact N-O 2.69Å; G286-Q288 VanDerWaalsContact C-N 3.31Å; G286-Q288 PolarHBondContact O-N 3.44Å
289	E	85.9	Confident	85	Confident	81 Å²	81	29.5 Å²	29.5	38%	0.379	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	145.9	174.2	-55.5	-166.1	162	0	0	112	T211 K281 I282 G287	T211-E289 HydrophobicContact CG2-CB 4.42Å; T211-E289 WeakPolarHBondContact CG2-O 3.21Å; K281-E289 VanDerWaalsContact CE-OE1 3.24Å; K281-E289 WeakPolarHBondContact CE-OE1 3.4Å; K281-E289 WeakPolarHBondContact CE-OE2 3.24Å; K281-E289 IonicContact NZ-OE1 2.77Å; K281-E289 PolarHBondContact NZ-OE1 3.2Å; K281-E289 IonicContact NZ-OE2 3.54Å; K281-E289 PolarHBondContact NZ-OE2 3.26Å; I282-E289 CarbonylContact O-C 3.51Å; I282-E289 WeakPolarHBondContact O-CA 3.39Å; G287-E289 PolarHBondContact O-N 2.86Å
290	N	84.2	Confident	84.3	Confident	15 Å²	15	31.4 Å²	31.4	8%	0.08	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	165.2	175.5	-157.8	-34.6	0	0	0	109.5	M212 K281 I282	M212-N290 VanDerWaalsContact CB-OD1 3.29Å; M212-N290 WeakPolarHBondContact CB-OD1 3.1Å; K281-N290 CarbonylContact C-O 3.54Å; K281-N290 WeakPolarHBondContact CA-O 3.5Å; I282-N290 HydrophobicContact CG2-CB 3.81Å; I282-N290 WeakPolarHBondContact CG2-O 3.34Å; I282-N290 PolarHBondContact N-O 3.37Å; I282-N290 PolarHBondContact O-N 3.42Å
291	Y	86.9	Confident	83.6	Confident	55 Å²	55	33.3 Å²	33.3	22%	0.216	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.6	173.6	-74.9	-103	0	0	0	110.3	M212 K214 R217 V279 L280 K281	M212-Y291 VanDerWaalsContact O-CD2 3.24Å; M212-Y291 WeakPolarHBondContact O-CD2 3.19Å; M212-Y291 PolarHBondContact O-N 3.24Å; K214-Y291 HydrophobicContact CB-CD1 3.83Å; K214-Y291 HydrophobicContact CB-CD2 4.41Å; K214-Y291 HydrophobicContact CB-CE1 3.57Å; K214-Y291 HydrophobicContact CB-CE2 4.2Å; K214-Y291 HydrophobicContact CB-CG 4.23Å; K214-Y291 HydrophobicContact CD-CE1 4.46Å; K214-Y291 HydrophobicContact CG-CD1 4.07Å; K214-Y291 HydrophobicContact CG-CE1 3.92Å; K214-Y291 VanDerWaalsContact N-CD2 3.33Å; R217-Y291 VanDerWaalsContact CZ-O 3.3Å; R217-Y291 PolarHBondContact NE-O 3.04Å; R217-Y291 PolarHBondContact NH2-O 3.2Å; V279-Y291 HydrophobicContact CG1-CD1 4.12Å; L280-Y291 CarbonylContact O-C 3.55Å; L280-Y291 VanDerWaalsContact O-CA 3.3Å; L280-Y291 WeakPolarHBondContact O-CA 3.17Å; K281-Y291 HydrophobicContact CB-CD1 4.2Å; K281-Y291 HydrophobicContact CB-CE1 3.77Å; K281-Y291 HydrophobicContact CB-CE2 4.5Å; K281-Y291 HydrophobicContact CG-CE1 4.44Å; K281-Y291 HydrophobicContact CG-CE2 4.32Å
292	I	85.1	Confident	83.1	Confident	11 Å²	11	35.1 Å²	35.1	6%	0.056	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.7	-172	57.2	158.4	0	0	0	111.6	F248 V279 L280 I282 W294	F248-I292 HydrophobicContact CE1-CD1 3.42Å; F248-I292 VanDerWaalsContact CE1-CD1 3.42Å; F248-I292 HydrophobicContact CZ-CD1 3.26Å; V279-I292 CarbonylContact C-O 3.5Å; V279-I292 VanDerWaalsContact CA-O 3.28Å; V279-I292 WeakPolarHBondContact CA-O 3.42Å; L280-I292 HydrophobicContact CB-CG1 4.49Å; L280-I292 PolarHBondContact N-O 3.11Å; L280-I292 PolarHBondContact O-N 2.87Å; I282-I292 HydrophobicContact CG2-CD1 4.5Å; I282-I292 HydrophobicContact CG2-CG1 4.19Å; I282-I292 HydrophobicContact CG2-CG2 3.81Å; I292-W294 HydrophobicContact CD1-CB 4.49Å; I292-W294 PolarHBondContact O-N 2.89Å
293	N	85.8	Confident	82.8	Confident	36 Å²	36	35.3 Å²	35.3	19%	0.193	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	107.7	165.7	-62.9	-18.4	0	0	0	108.2	N221 F277 F295	N221-N293 PolarHBondContact ND2-OD1 2.95Å; N221-N293 PolarHBondContact OD1-ND2 2.73Å; N221-N293 PolarHBondContact OD1-OD1 2.87Å; F277-N293 HydrophobicContact CB-CB 4.45Å; F277-N293 HydrophobicContact CD2-CB 3.73Å; F277-N293 HydrophobicContact CE2-CB 4.16Å; F277-N293 WeakPolarHBondContact CE2-OD1 3.12Å; F277-N293 HydrophobicContact CG-CB 4.1Å; N293-F295 HydrophobicContact CB-CE2 3.91Å; N293-F295 HydrophobicContact CB-CZ 4.45Å
294	W	86.9	Confident	82.6	Confident	3 Å²	3	36.9 Å²	36.9	1%	0.011	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.1	175.8	178.7	92.2	0	0	0	111	F256 F277 I278 L280 I292 P296 F299 F333 V357 L360	F256-W294 HydrophobicContact CE1-CD2 4.07Å; F256-W294 AromaticContact CE1-CE3 3.96Å; F256-W294 HydrophobicContact CE1-CE3 3.96Å; F256-W294 AromaticContact CE1-CH2 3.75Å; F256-W294 HydrophobicContact CE1-CH2 3.75Å; F256-W294 AromaticContact CE1-CZ2 3.89Å; F256-W294 HydrophobicContact CE1-CZ2 3.89Å; F256-W294 AromaticContact CE1-CZ3 3.8Å; F256-W294 HydrophobicContact CE1-CZ3 3.8Å; F256-W294 HydrophobicContact CZ-CD2 4.09Å; F256-W294 AromaticContact CZ-CE2 3.69Å; F256-W294 HydrophobicContact CZ-CE3 4.43Å; F256-W294 HydrophobicContact CZ-CH2 4.02Å; F256-W294 AromaticContact CZ-CZ2 3.67Å; F256-W294 HydrophobicContact CZ-CZ2 3.67Å; F256-W294 HydrophobicContact CZ-CZ3 4.4Å; F277-W294 CarbonylContact C-O 3.42Å; F277-W294 WeakPolarHBondContact CA-O 3.36Å; F277-W294 VanDerWaalsContact CB-O 3.25Å; F277-W294 WeakPolarHBondContact CB-O 3.38Å; I278-W294 PolarHBondContact N-O 3.41Å; I278-W294 PolarHBondContact O-N 3.39Å; L280-W294 HydrophobicContact CB-CB 4.3Å; L280-W294 HydrophobicContact CD1-CB 3.38Å; L280-W294 HydrophobicContact CD1-CD2 3.77Å; L280-W294 HydrophobicContact CD1-CE3 4.07Å; L280-W294 HydrophobicContact CD1-CG 3.47Å; L280-W294 VanDerWaalsContact CD1-CG 3.47Å; L280-W294 HydrophobicContact CG-CB 3.76Å; L280-W294 HydrophobicContact CG-CG 4.37Å; I292-W294 HydrophobicContact CD1-CB 4.49Å; I292-W294 PolarHBondContact O-N 2.89Å; W294-P296 HydrophobicContact CH2-CB 4.11Å; W294-P296 HydrophobicContact CH2-CG 4.3Å; W294-P296 HydrophobicContact CZ3-CB 4.17Å; W294-P296 HydrophobicContact CZ3-CG 3.85Å; W294-F299 HydrophobicContact CZ2-CD1 4.31Å; W294-F299 HydrophobicContact CZ2-CE1 4.29Å; W294-F299 HydrophobicContact CZ2-CG 4.48Å; W294-F299 HydrophobicContact CZ2-CZ 4.46Å; W294-F333 HydrophobicContact CH2-CE2 4.15Å; W294-V357 HydrophobicContact CH2-CG2 4.32Å; W294-V357 HydrophobicContact CZ3-CG2 4.12Å; W294-L360 HydrophobicContact CH2-CD1 3.95Å; W294-L360 HydrophobicContact CZ2-CD1 4.09Å
295	F	84.4	Confident	82.8	Confident	14 Å²	14	37.7 Å²	37.7	6%	0.061	23%	0.229	C	C	.	.			trans	-112.3	137.2	-179.4	-63.7	-104.5	0	0	0	110.2	P241 Q268 Q276 F277 N293 S297 S298	P241-F295 HydrophobicContact CB-CD2 4.14Å; P241-F295 HydrophobicContact CB-CE2 4.2Å; P241-F295 HydrophobicContact CB-CG 4.43Å; P241-F295 HydrophobicContact CG-CB 3.56Å; P241-F295 HydrophobicContact CG-CD1 3.62Å; P241-F295 HydrophobicContact CG-CD2 3.22Å; P241-F295 HydrophobicContact CG-CE1 4.05Å; P241-F295 HydrophobicContact CG-CE2 3.7Å; P241-F295 HydrophobicContact CG-CG 3.17Å; P241-F295 HydrophobicContact CG-CZ 4.09Å; Q268-F295 HydrophobicContact CB-CE1 4.47Å; Q268-F295 HydrophobicContact CB-CZ 4.47Å; Q276-F295 WeakPolarHBondContact O-CD1 3.22Å; F277-F295 HydrophobicContact CB-CD1 3.68Å; F277-F295 HydrophobicContact CB-CD2 4.04Å; F277-F295 HydrophobicContact CB-CE1 3.61Å; F277-F295 HydrophobicContact CB-CE2 3.97Å; F277-F295 HydrophobicContact CB-CG 3.9Å; F277-F295 HydrophobicContact CB-CZ 3.75Å; F277-F295 AromaticContact CD1-CE1 3.89Å; F277-F295 HydrophobicContact CD1-CE1 3.89Å; F277-F295 AromaticContact CD1-CZ 3.9Å; F277-F295 HydrophobicContact CD1-CZ 3.9Å; F277-F295 HydrophobicContact CG-CE1 4.15Å; F277-F295 HydrophobicContact CG-CE2 4.5Å; F277-F295 HydrophobicContact CG-CZ 4.05Å; N293-F295 HydrophobicContact CB-CE2 3.91Å; N293-F295 HydrophobicContact CB-CZ 4.45Å; F295-S297 WeakPolarHBondContact CB-OG 3.24Å; F295-S297 PolarHBondContact O-N 3.5Å; F295-S298 VanDerWaalsContact O-CB 3.28Å; F295-S298 WeakPolarHBondContact O-CB 3.13Å; F295-S298 PolarHBondContact O-N 2.77Å; F295-S298 PolarHBondContact O-OG 3.41Å
296	P	83.2	Confident	83.3	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-58.3	-25.1	178	-22.6	30.7	0	0	0	114.2	F234 L238 Q276 W294 S298 F299 F333 T353 V357	F234-P296 HydrophobicContact CD1-CG 3.58Å; F234-P296 HydrophobicContact CE1-CG 3.29Å; F234-P296 HydrophobicContact CG-CG 4.41Å; F234-P296 HydrophobicContact CZ-CG 3.91Å; L238-P296 HydrophobicContact CD1-CB 4.14Å; L238-P296 HydrophobicContact CD2-CB 4.43Å; Q276-P296 WeakPolarHBondContact O-CD 3.34Å; W294-P296 HydrophobicContact CH2-CB 4.11Å; W294-P296 HydrophobicContact CH2-CG 4.3Å; W294-P296 HydrophobicContact CZ3-CB 4.17Å; W294-P296 HydrophobicContact CZ3-CG 3.85Å; P296-S298 PolarHBondContact O-N 3.32Å; P296-S298 VanDerWaalsContact O-N 3.17Å; P296-F299 PolarHBondContact O-N 3.49Å; P296-F333 HydrophobicContact CB-CE2 4.22Å; P296-F333 HydrophobicContact CB-CZ 3.83Å; P296-T353 HydrophobicContact CB-CG2 3.88Å; P296-T353 HydrophobicContact CG-CG2 4.1Å; P296-V357 HydrophobicContact CB-CG2 4.12Å; P296-V357 HydrophobicContact CG-CG2 3.82Å
297	S	77.8	Confident	84	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.014	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-60.5	-20.5	174.5	52.8	0	0	0	0	113.7	P241 F295 F299 T300 R301	P241-S297 WeakPolarHBondContact CD-OG 3.36Å; F295-S297 WeakPolarHBondContact CB-OG 3.24Å; F295-S297 PolarHBondContact O-N 3.5Å; S297-F299 PolarHBondContact O-N 2.88Å; S297-F299 VanDerWaalsContact O-N 3.14Å; S297-T300 WeakPolarHBondContact CA-OG1 3.26Å; S297-T300 PolarHBondContact O-N 3.02Å; S297-T300 PolarHBondContact O-OG1 3.32Å; S297-R301 PolarHBondContact O-N 3.16Å
298	S	78.6	Confident	84.4	Confident	33 Å²	33	37.5 Å²	37.5	23%	0.231	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-57.4	-27	176.9	-60.2	0	0	0	0	112.8	F295 P296 P325	F295-S298 VanDerWaalsContact O-CB 3.28Å; F295-S298 WeakPolarHBondContact O-CB 3.13Å; F295-S298 PolarHBondContact O-N 2.77Å; F295-S298 PolarHBondContact O-OG 3.41Å; P296-S298 PolarHBondContact O-N 3.32Å; P296-S298 VanDerWaalsContact O-N 3.17Å; S298-P325 VanDerWaalsContact O-CG 3.26Å; S298-P325 WeakPolarHBondContact O-CG 3.33Å
299	F	85.2	Confident	84.8	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-94.8	0.6	179.3	-77.3	18.1	0	0	0	113.8	W294 P296 S297 A329 V330 F333 L360 V365 F396	W294-F299 HydrophobicContact CZ2-CD1 4.31Å; W294-F299 HydrophobicContact CZ2-CE1 4.29Å; W294-F299 HydrophobicContact CZ2-CG 4.48Å; W294-F299 HydrophobicContact CZ2-CZ 4.46Å; P296-F299 PolarHBondContact O-N 3.49Å; S297-F299 PolarHBondContact O-N 2.88Å; S297-F299 VanDerWaalsContact O-N 3.14Å; F299-A329 HydrophobicContact CE2-CB 4.07Å; F299-A329 HydrophobicContact CZ-CB 4.3Å; F299-V330 HydrophobicContact CB-CG2 4.45Å; F299-V330 HydrophobicContact CD1-CG2 4.34Å; F299-V330 HydrophobicContact CD2-CB 4.49Å; F299-V330 HydrophobicContact CD2-CG2 4.07Å; F299-V330 HydrophobicContact CE2-CG2 4.39Å; F299-V330 HydrophobicContact CG-CG2 4.06Å; F299-F333 HydrophobicContact CB-CD1 3.87Å; F299-F333 HydrophobicContact CB-CE1 4.1Å; F299-F333 HydrophobicContact CB-CG 4.32Å; F299-F333 HydrophobicContact CD2-CB 3.64Å; F299-F333 HydrophobicContact CD2-CD1 4.1Å; F299-F333 HydrophobicContact CD2-CD2 4.12Å; F299-F333 AromaticContact CD2-CG 3.7Å; F299-F333 HydrophobicContact CD2-CG 3.7Å; F299-F333 HydrophobicContact CE2-CB 4.21Å; F299-F333 HydrophobicContact CG-CG 4.48Å; F299-L360 HydrophobicContact CD2-CD1 4.16Å; F299-L360 HydrophobicContact CE2-CD1 3.61Å; F299-L360 HydrophobicContact CE2-CD2 4.05Å; F299-L360 HydrophobicContact CE2-CG 4.5Å; F299-L360 HydrophobicContact CZ-CD1 4.23Å; F299-V365 HydrophobicContact CZ-CG1 4.21Å; F299-F396 HydrophobicContact CD1-CD2 4.05Å; F299-F396 HydrophobicContact CD1-CE2 4.08Å; F299-F396 HydrophobicContact CD1-CG 4.32Å; F299-F396 HydrophobicContact CD1-CZ 4.41Å; F299-F396 HydrophobicContact CE1-CB 4.12Å; F299-F396 AromaticContact CE1-CD1 3.69Å; F299-F396 HydrophobicContact CE1-CD1 3.69Å; F299-F396 AromaticContact CE1-CD2 3.8Å; F299-F396 HydrophobicContact CE1-CD2 3.8Å; F299-F396 AromaticContact CE1-CE1 3.96Å; F299-F396 HydrophobicContact CE1-CE1 3.96Å; F299-F396 HydrophobicContact CE1-CE2 4.04Å; F299-F396 AromaticContact CE1-CG 3.61Å; F299-F396 HydrophobicContact CE1-CG 3.61Å; F299-F396 HydrophobicContact CE1-CZ 4.12Å; F299-F396 HydrophobicContact CZ-CB 4.03Å; F299-F396 HydrophobicContact CZ-CD1 4.21Å; F299-F396 HydrophobicContact CZ-CG 4.03Å
300	T	77.3	Confident	84.8	Confident	46 Å²	46	37.6 Å²	37.6	28%	0.282	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	5	-179	49.7	0	0	0	0	112.9	S297 I302 F333 N334 R337	S297-T300 WeakPolarHBondContact CA-OG1 3.26Å; S297-T300 PolarHBondContact O-N 3.02Å; S297-T300 PolarHBondContact O-OG1 3.32Å; T300-I302 PolarHBondContact O-N 2.7Å; T300-F333 HydrophobicContact CG2-CE1 4.26Å; T300-N334 WeakPolarHBondContact CG2-OD1 3.25Å; T300-R337 VanDerWaalsContact CG2-NH2 3.35Å
301	R	75.8	Confident	85	Confident	42 Å²	42	42.8 Å²	42.8	16%	0.158	22%	0.222	C	C	.	.			trans	-70.6	113.3	-177.6	-179.1	-179.7	-177.2	178.8	-1.4	110.7	A240 D243 S297 P325	A240-R301 HydrophobicContact CB-CB 4.17Å; A240-R301 HydrophobicContact CB-CG 3.75Å; D243-R301 PolarHBondContact O-NH1 3.26Å; S297-R301 PolarHBondContact O-N 3.16Å; R301-P325 WeakPolarHBondContact O-CD 3.47Å
302	I	81.4	Confident	85.2	Confident	78 Å²	78	43.9 Å²	43.9	40%	0.4	24%	0.235	S	C	.	.			trans	-83.1	134.9	172.6	-66.1	169.8	0	0	0	110	T300 F304 P322 F323 M324	T300-I302 PolarHBondContact O-N 2.7Å; I302-F304 HydrophobicContact CG2-CD2 4.17Å; I302-F304 HydrophobicContact CG2-CE1 4.11Å; I302-F304 HydrophobicContact CG2-CE2 3.68Å; I302-F304 HydrophobicContact CG2-CZ 3.66Å; I302-P322 HydrophobicContact CG2-CB 3.23Å; I302-P322 HydrophobicContact CG2-CG 4.07Å; I302-F323 WeakPolarHBondContact CA-O 3.24Å; I302-M324 HydrophobicContact CD1-CE 3.89Å; I302-M324 HydrophobicContact CG1-CE 3.93Å; I302-M324 HydrophobicContact CG1-CG 4.05Å; I302-M324 HydrophobicContact CG1-SD 4.15Å
303	V	83.8	Confident	85.3	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-119.4	133	171	-178.6	0	0	0	0	108.8	F323 I373 T375 Q391 V393	V303-F323 HydrophobicContact CB-CB 4.33Å; V303-F323 PolarHBondContact N-O 3.19Å; V303-F323 PolarHBondContact O-N 3.34Å; V303-I373 HydrophobicContact CG1-CB 3.97Å; V303-I373 HydrophobicContact CG1-CG2 3.95Å; V303-T375 HydrophobicContact CG1-CG2 4.2Å; V303-Q391 HydrophobicContact CG1-CB 4.3Å; V303-Q391 HydrophobicContact CG2-CB 4.42Å; V303-V393 HydrophobicContact CB-CG2 3.72Å; V303-V393 HydrophobicContact CG1-CG2 4.34Å; V303-V393 HydrophobicContact CG2-CG2 3.59Å
304	F	86.4	Confident	85.5	Confident	59 Å²	59	51.8 Å²	51.8	26%	0.259	27%	0.27	S	S	.	.			trans	-105.9	134.6	175.1	-64.9	-74.9	0	0	0	109.1	I302 Y306 R317 D319 P322 T375	I302-F304 HydrophobicContact CG2-CD2 4.17Å; I302-F304 HydrophobicContact CG2-CE1 4.11Å; I302-F304 HydrophobicContact CG2-CE2 3.68Å; I302-F304 HydrophobicContact CG2-CZ 3.66Å; F304-Y306 HydrophobicContact CB-CD2 4.36Å; F304-Y306 HydrophobicContact CB-CE2 3.73Å; F304-Y306 WeakPolarHBondContact O-CD2 3.42Å; F304-R317 VanDerWaalsContact CD1-NE 3.34Å; F304-R317 VanDerWaalsContact CD1-NH2 3.26Å; F304-R317 VanDerWaalsContact CE1-CZ 3.4Å; F304-R317 VanDerWaalsContact CE1-NH2 3.33Å; F304-D319 WeakPolarHBondContact CA-OD2 3.49Å; F304-P322 HydrophobicContact CD1-CB 3.84Å; F304-P322 HydrophobicContact CE1-CB 3.57Å; F304-P322 HydrophobicContact CE1-CG 3.96Å; F304-P322 HydrophobicContact CZ-CB 4.21Å; F304-T375 WeakPolarHBondContact O-CB 3.48Å; F304-T375 PolarHBondContact O-OG1 2.85Å
305	E	90.5	Very high	85.6	Confident	50 Å²	50	51.8 Å²	51.8	23%	0.234	27%	0.271	C	S	.	.			trans	-78.3	134.7	176.4	-168.7	-170.5	-127.2	0	0	111.2	R317 T318 D319 F323 I373 E374	E305-R317 WeakPolarHBondContact O-CA 3.03Å; E305-T318 WeakPolarHBondContact CG-OG1 3.47Å; E305-T318 PolarHBondContact O-N 3.07Å; E305-T318 PolarHBondContact O-OG1 3.48Å; E305-T318 PolarHBondContact OE2-OG1 3.36Å; E305-D319 HydrophobicContact CB-CB 4.01Å; E305-D319 VanDerWaalsContact N-CG 3.34Å; E305-D319 PolarHBondContact N-OD2 3.39Å; E305-F323 HydrophobicContact CB-CD2 4.39Å; E305-F323 HydrophobicContact CB-CE2 3.75Å; E305-I373 HydrophobicContact CB-CG2 3.87Å; E305-I373 HydrophobicContact CG-CG2 4.05Å; E305-E374 CarbonylContact C-O 3.59Å; E305-E374 WeakPolarHBondContact CA-O 3.27Å
306	Y	89.4	Confident	85.8	Confident	11 Å²	11	56.1 Å²	56.1	4%	0.043	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.2	172.4	-69.9	-108.7	0	0	0	110.7	F304 A315 M316 R317 E374 V376 R383 L385	F304-Y306 HydrophobicContact CB-CD2 4.36Å; F304-Y306 HydrophobicContact CB-CE2 3.73Å; F304-Y306 WeakPolarHBondContact O-CD2 3.42Å; Y306-A315 HydrophobicContact CD1-CB 4.02Å; Y306-A315 HydrophobicContact CG-CB 4.49Å; Y306-M316 CarbonylContact C-O 3.5Å; Y306-M316 WeakPolarHBondContact CA-O 3.45Å; Y306-M316 VanDerWaalsContact CD1-C 3.49Å; Y306-R317 HydrophobicContact CD1-CB 4.22Å; Y306-R317 HydrophobicContact CE1-CB 3.97Å; Y306-E374 PolarHBondContact N-O 2.76Å; Y306-E374 WeakPolarHBondContact O-CB 3.28Å; Y306-V376 HydrophobicContact CD1-CG1 3.57Å; Y306-V376 HydrophobicContact CD2-CG1 3.95Å; Y306-V376 HydrophobicContact CD2-CG2 4.14Å; Y306-V376 HydrophobicContact CE1-CG1 3.9Å; Y306-V376 HydrophobicContact CE1-CG2 4.14Å; Y306-V376 HydrophobicContact CE2-CG1 4.25Å; Y306-V376 HydrophobicContact CE2-CG2 3.68Å; Y306-V376 HydrophobicContact CG-CG1 3.62Å; Y306-R383 PolarHBondContact OH-NH1 2.81Å; Y306-L385 HydrophobicContact CE1-CD2 4.16Å
307	K	92.1	Very high	86	Confident	119 Å²	119	61.7 Å²	61.7	52%	0.517	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.6	165.9	-65.9	-175.1	-169.8	173.9	0	109.9	D309 A315 M316 T318	K307-D309 PolarHBondContact O-N 2.96Å; K307-A315 WeakPolarHBondContact O-CA 3.46Å; K307-M316 PolarHBondContact N-O 3.15Å; K307-M316 PolarHBondContact O-N 3.06Å; K307-T318 HydrophobicContact CB-CG2 3.67Å; K307-T318 HydrophobicContact CD-CG2 3.85Å; K307-T318 HydrophobicContact CG-CG2 3.61Å
308	M	91.4	Very high	86.3	Confident	65 Å²	65	64.6 Å²	64.6	32%	0.32	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.7	173.2	-66.5	-56.6	-72.2	0	0	108.8	K313 A315 L388	M308-K313 VanDerWaalsContact CE-C 3.42Å; M308-K313 HydrophobicContact CE-CB 4.45Å; M308-K313 WeakPolarHBondContact CE-O 2.81Å; M308-A315 HydrophobicContact SD-CB 3.95Å; M308-L388 HydrophobicContact CG-CD1 3.73Å; M308-L388 HydrophobicContact CG-CG 3.82Å; M308-L388 HydrophobicContact SD-CD1 4.33Å; M308-L388 HydrophobicContact SD-CD2 4.19Å; M308-L388 HydrophobicContact SD-CG 3.78Å
309	D	88.7	Confident	86.1	Confident	49 Å²	49	64 Å²	64	26%	0.262	33%	0.326	S	S	.	.			trans	-61.6	125.2	167.2	-178.9	-73.8	0	0	0	108.7	K307 T311 T312 K313 I314 M316	K307-D309 PolarHBondContact O-N 2.96Å; D309-T311 PolarHBondContact O-N 2.72Å; D309-T311 WeakPolarHBondContact OD1-CA 3.48Å; D309-T311 WeakPolarHBondContact OD1-CB 3.18Å; D309-T311 PolarHBondContact OD1-N 3.4Å; D309-T312 VanDerWaalsContact CB-OG1 3.25Å; D309-T312 WeakPolarHBondContact CB-OG1 3.49Å; D309-T312 VanDerWaalsContact CG-OG1 3.27Å; D309-T312 PolarHBondContact OD1-N 3.01Å; D309-T312 PolarHBondContact OD1-OG1 3.09Å; D309-K313 VanDerWaalsContact O-CA 3.25Å; D309-K313 WeakPolarHBondContact O-CA 3.36Å; D309-K313 PolarHBondContact O-N 3.19Å; D309-I314 WeakPolarHBondContact CB-O 3.3Å; D309-I314 PolarHBondContact N-O 3.2Å; D309-M316 HydrophobicContact CB-CG 3.95Å
310	P	87	Confident	85.4	Confident	97 Å²	97	68.3 Å²	68.3	63%	0.63	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24	-173.4	26	-33.9	0	0	0	112.9	K313	P310-K313 VanDerWaalsContact O-CE 3.31Å; P310-K313 WeakPolarHBondContact O-CE 3.41Å; P310-K313 PolarHBondContact O-NZ 2.82Å
311	T	88.5	Confident	85.4	Confident	123 Å²	123	73.2 Å²	73.2	76%	0.755	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-54.5	-174.8	-53	0	0	0	0	111.1	D309	D309-T311 PolarHBondContact O-N 2.72Å; D309-T311 WeakPolarHBondContact OD1-CA 3.48Å; D309-T311 WeakPolarHBondContact OD1-CB 3.18Å; D309-T311 PolarHBondContact OD1-N 3.4Å
312	T	90	Very high	85.9	Confident	79 Å²	79	72.6 Å²	72.6	49%	0.485	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-18	-176.8	63.5	0	0	0	0	112.9	D309 I314	D309-T312 VanDerWaalsContact CB-OG1 3.25Å; D309-T312 WeakPolarHBondContact CB-OG1 3.49Å; D309-T312 VanDerWaalsContact CG-OG1 3.27Å; D309-T312 PolarHBondContact OD1-N 3.01Å; D309-T312 PolarHBondContact OD1-OG1 3.09Å; T312-I314 PolarHBondContact O-N 2.98Å; T312-I314 PolarHBondContact OG1-N 3.4Å
313	K	87.4	Confident	86.2	Confident	134 Å²	134	72.2 Å²	72.2	58%	0.583	38%	0.378	S	S	*	.			trans	55.2	34.1	-171.5	-52.7	-57.2	-171.1	-162.1	0	112.5	M308 D309 P310	M308-K313 VanDerWaalsContact CE-C 3.42Å; M308-K313 HydrophobicContact CE-CB 4.45Å; M308-K313 WeakPolarHBondContact CE-O 2.81Å; D309-K313 VanDerWaalsContact O-CA 3.25Å; D309-K313 WeakPolarHBondContact O-CA 3.36Å; D309-K313 PolarHBondContact O-N 3.19Å; P310-K313 VanDerWaalsContact O-CE 3.31Å; P310-K313 WeakPolarHBondContact O-CE 3.41Å; P310-K313 PolarHBondContact O-NZ 2.82Å
314	I	89.1	Confident	86.3	Confident	79 Å²	79	76.3 Å²	76.3	41%	0.405	40%	0.398	S	S	.	.			trans	-109.5	138	173.2	-61.4	175.4	0	0	0	108.6	D309 T312 M316 L385	D309-I314 WeakPolarHBondContact CB-O 3.3Å; D309-I314 PolarHBondContact N-O 3.2Å; T312-I314 PolarHBondContact O-N 2.98Å; T312-I314 PolarHBondContact OG1-N 3.4Å; I314-M316 PolarHBondContact O-N 3.28Å; I314-L385 HydrophobicContact CG2-CB 3.9Å; I314-L385 HydrophobicContact CG2-CD1 4.14Å
315	A	89	Confident	86.5	Confident	3 Å²	3	74.1 Å²	74.1	3%	0.025	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	118.4	173.8	0	0	0	0	0	110.8	Y306 K307 M308 V376 L385 L388	Y306-A315 HydrophobicContact CD1-CB 4.02Å; Y306-A315 HydrophobicContact CG-CB 4.49Å; K307-A315 WeakPolarHBondContact O-CA 3.46Å; M308-A315 HydrophobicContact SD-CB 3.95Å; A315-V376 HydrophobicContact CB-CG1 3.46Å; A315-V376 VanDerWaalsContact CB-CG1 3.46Å; A315-L385 HydrophobicContact CB-CB 4.3Å; A315-L385 HydrophobicContact CB-CD2 4.44Å; A315-L385 WeakPolarHBondContact CB-O 3.19Å; A315-L385 PolarHBondContact N-O 2.96Å; A315-L388 HydrophobicContact CB-CD2 3.69Å
316	M	89	Confident	86.6	Confident	105 Å²	105	78.4 Å²	78.4	52%	0.517	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.4	176.9	-65.3	-66.6	-76.4	0	0	109.5	Y306 K307 D309 I314 T318	Y306-M316 CarbonylContact C-O 3.5Å; Y306-M316 WeakPolarHBondContact CA-O 3.45Å; Y306-M316 VanDerWaalsContact CD1-C 3.49Å; K307-M316 PolarHBondContact N-O 3.15Å; K307-M316 PolarHBondContact O-N 3.06Å; D309-M316 HydrophobicContact CB-CG 3.95Å; I314-M316 PolarHBondContact O-N 3.28Å; M316-T318 PolarHBondContact O-N 2.96Å
317	R	87.2	Confident	86.9	Confident	117 Å²	117	78.5 Å²	78.5	44%	0.442	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.8	175.5	-175.9	177.9	175.3	-161.4	-12.2	109.5	F304 E305 Y306 D319	F304-R317 VanDerWaalsContact CD1-NE 3.34Å; F304-R317 VanDerWaalsContact CD1-NH2 3.26Å; F304-R317 VanDerWaalsContact CE1-CZ 3.4Å; F304-R317 VanDerWaalsContact CE1-NH2 3.33Å; E305-R317 WeakPolarHBondContact O-CA 3.03Å; Y306-R317 HydrophobicContact CD1-CB 4.22Å; Y306-R317 HydrophobicContact CE1-CB 3.97Å; R317-D319 WeakPolarHBondContact CG-OD1 3.36Å; R317-D319 IonicContact CZ-OD1 2.72Å; R317-D319 IonicContact NE-OD1 2.85Å; R317-D319 PolarHBondContact NE-OD1 3.28Å; R317-D319 PolarHBondContact NH2-O 3.14Å; R317-D319 IonicContact NH2-OD1 2.77Å; R317-D319 PolarHBondContact NH2-OD1 3.24Å
318	T	84.2	Confident	87.1	Confident	62 Å²	62	76.1 Å²	76.1	38%	0.38	41%	0.408	S	S	.	.			trans	-109.5	-18.4	-175.8	47.5	0	0	0	0	114.4	E305 K307 M316	E305-T318 WeakPolarHBondContact CG-OG1 3.47Å; E305-T318 PolarHBondContact O-N 3.07Å; E305-T318 PolarHBondContact O-OG1 3.48Å; E305-T318 PolarHBondContact OE2-OG1 3.36Å; K307-T318 HydrophobicContact CB-CG2 3.67Å; K307-T318 HydrophobicContact CD-CG2 3.85Å; K307-T318 HydrophobicContact CG-CG2 3.61Å; M316-T318 PolarHBondContact O-N 2.96Å
319	D	73.8	Confident	87.3	Confident	21 Å²	21	73 Å²	73	11%	0.112	39%	0.392	C	S	.	.			trans	-89	138.2	-175.8	61.1	-8	0	0	0	113.2	F304 E305 R317 Q321 F323	F304-D319 WeakPolarHBondContact CA-OD2 3.49Å; E305-D319 HydrophobicContact CB-CB 4.01Å; E305-D319 VanDerWaalsContact N-CG 3.34Å; E305-D319 PolarHBondContact N-OD2 3.39Å; R317-D319 WeakPolarHBondContact CG-OD1 3.36Å; R317-D319 IonicContact CZ-OD1 2.72Å; R317-D319 IonicContact NE-OD1 2.85Å; R317-D319 PolarHBondContact NE-OD1 3.28Å; R317-D319 PolarHBondContact NH2-O 3.14Å; R317-D319 IonicContact NH2-OD1 2.77Å; R317-D319 PolarHBondContact NH2-OD1 3.24Å; D319-Q321 VanDerWaalsContact C-N 3.33Å; D319-Q321 WeakPolarHBondContact CB-O 3.2Å; D319-Q321 VanDerWaalsContact OD2-O 3.12Å; D319-F323 HydrophobicContact CB-CE2 4.15Å
320	A	71.6	Confident	87.5	Confident	92 Å²	92	70.9 Å²	70.9	76%	0.76	38%	0.381	S	S	*	.	S	Bend	trans	-70.4	-33.7	168.7	0	0	0	0	0	111.5
321	Q	77.3	Confident	87.9	Confident	149 Å²	149	71.4 Å²	71.4	70%	0.696	38%	0.378	S	S	*	.	S	Bend	trans	-131.9	138.7	-176.3	-67.2	-61.5	-27.7	0	0	110.7	D319	D319-Q321 VanDerWaalsContact C-N 3.33Å; D319-Q321 WeakPolarHBondContact CB-O 3.2Å; D319-Q321 VanDerWaalsContact OD2-O 3.12Å
322	P	85.1	Confident	88.3	Confident	30 Å²	30	66.6 Å²	66.6	20%	0.195	35%	0.351	C	S	.	.			trans	-60.8	149.1	175.3	18.5	-26.2	0	0	0	113.1	I302 F304 M324	I302-P322 HydrophobicContact CG2-CB 3.23Å; I302-P322 HydrophobicContact CG2-CG 4.07Å; F304-P322 HydrophobicContact CD1-CB 3.84Å; F304-P322 HydrophobicContact CE1-CB 3.57Å; F304-P322 HydrophobicContact CE1-CG 3.96Å; F304-P322 HydrophobicContact CZ-CB 4.21Å; P322-M324 HydrophobicContact CB-CE 4.42Å; P322-M324 HydrophobicContact CG-CE 3.75Å
323	F	87.7	Confident	88.4	Confident	69 Å²	69	62.9 Å²	62.9	30%	0.303	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-79	135.4	164.4	-63	-100.7	0	0	0	109.8	I302 V303 E305 D319 I373 V393	I302-F323 WeakPolarHBondContact CA-O 3.24Å; V303-F323 HydrophobicContact CB-CB 4.33Å; V303-F323 PolarHBondContact N-O 3.19Å; V303-F323 PolarHBondContact O-N 3.34Å; E305-F323 HydrophobicContact CB-CD2 4.39Å; E305-F323 HydrophobicContact CB-CE2 3.75Å; D319-F323 HydrophobicContact CB-CE2 4.15Å; F323-I373 HydrophobicContact CB-CG1 4.49Å; F323-I373 HydrophobicContact CD1-CD1 3.76Å; F323-I373 HydrophobicContact CD1-CG1 4.1Å; F323-I373 HydrophobicContact CD2-CG1 4.47Å; F323-I373 HydrophobicContact CD2-CG2 4.09Å; F323-I373 HydrophobicContact CE1-CD1 3.69Å; F323-I373 HydrophobicContact CE1-CG1 4.48Å; F323-I373 HydrophobicContact CE2-CG2 4.23Å; F323-I373 HydrophobicContact CG-CD1 4.2Å; F323-I373 HydrophobicContact CG-CG1 4.1Å; F323-I373 HydrophobicContact CZ-CD1 4.1Å; F323-V393 HydrophobicContact CB-CG1 4.39Å; F323-V393 HydrophobicContact CB-CG2 3.87Å
324	M	87.9	Confident	88.6	Confident	89 Å²	89	59 Å²	59	44%	0.438	31%	0.314	S	S	.	.			trans	-132.7	153	177.6	-56.2	-166.2	-169.5	0	0	109.6	I302 P322 V393	I302-M324 HydrophobicContact CD1-CE 3.89Å; I302-M324 HydrophobicContact CG1-CE 3.93Å; I302-M324 HydrophobicContact CG1-CG 4.05Å; I302-M324 HydrophobicContact CG1-SD 4.15Å; P322-M324 HydrophobicContact CB-CE 4.42Å; P322-M324 HydrophobicContact CG-CE 3.75Å; M324-V393 WeakPolarHBondContact O-CG1 3.45Å
325	P	89.1	Confident	88.8	Confident	14 Å²	14	57.8 Å²	57.8	9%	0.091	31%	0.313	C	S	.	.			trans	-50	143	163.4	-27.5	33	0	0	0	111.1	S298 R301 V330 M394 F396	S298-P325 VanDerWaalsContact O-CG 3.26Å; S298-P325 WeakPolarHBondContact O-CG 3.33Å; R301-P325 WeakPolarHBondContact O-CD 3.47Å; P325-V330 HydrophobicContact CB-CG1 4.38Å; P325-V330 HydrophobicContact CB-CG2 3.98Å; P325-M394 WeakPolarHBondContact CA-O 3.46Å; P325-F396 HydrophobicContact CB-CD2 4.26Å; P325-F396 HydrophobicContact CB-CE2 4.1Å
326	K	92.5	Very high	88.9	Confident	140 Å²	140	59.1 Å²	59.1	61%	0.609	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-133	175.2	179.8	-65	-176.5	-177.3	179.5	0	110.6	V330 M394 T395 F396	K326-V330 VanDerWaalsContact O-CG2 3.24Å; K326-V330 WeakPolarHBondContact O-CG2 3.49Å; K326-M394 PolarHBondContact N-O 3.31Å; K326-T395 HydrophobicContact CB-CG2 4.48Å; K326-T395 CarbonylContact O-C 3.46Å; K326-T395 VanDerWaalsContact O-CA 3.29Å; K326-T395 WeakPolarHBondContact O-CA 3.41Å; K326-F396 PolarHBondContact O-N 3.34Å
327	G	95.3	Very high	88.9	Confident	12 Å²	12	57.4 Å²	57.4	12%	0.124	31%	0.307	C	S	.	.	S	Bend	trans	111.3	166	170.8	0	0	0	0	0	112.4	A329 V330 D331 F396 D397	G327-A329 PolarHBondContact O-N 3.29Å; G327-A329 VanDerWaalsContact O-N 3.16Å; G327-V330 WeakPolarHBondContact O-CA 3.25Å; G327-V330 WeakPolarHBondContact O-CB 3.37Å; G327-V330 PolarHBondContact O-N 3.09Å; G327-D331 PolarHBondContact O-N 3.28Å; G327-F396 CarbonylContact C-O 3.56Å; G327-F396 VanDerWaalsContact CA-O 3.29Å; G327-F396 WeakPolarHBondContact CA-O 3.33Å; G327-D397 WeakPolarHBondContact CA-OD1 3.28Å
328	T	97.5	Very high	88.8	Confident	70 Å²	70	55.2 Å²	55.2	43%	0.429	32%	0.32	S	S	.	.	H	α-helix	trans	-58.5	-32	-172.1	50.6	0	0	0	0	113.2	A332 F396 D397 F398	T328-A332 WeakPolarHBondContact O-CB 3.36Å; T328-A332 PolarHBondContact O-N 3.32Å; T328-A332 VanDerWaalsContact O-N 3.09Å; T328-F396 PolarHBondContact N-O 3.07Å; T328-D397 PolarHBondContact N-OD1 3.2Å; T328-D397 VanDerWaalsContact OG1-CA 3.29Å; T328-D397 WeakPolarHBondContact OG1-CA 3.27Å; T328-D397 PolarHBondContact OG1-OD1 2.89Å; T328-F398 WeakPolarHBondContact O-CE2 3.46Å; T328-F398 PolarHBondContact OG1-N 3.01Å
329	A	95.5	Very high	89.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-73.8	-36.4	175.8	0	0	0	0	0	112.4	F299 G327 F333 L360 V365 F396 F398	F299-A329 HydrophobicContact CE2-CB 4.07Å; F299-A329 HydrophobicContact CZ-CB 4.3Å; G327-A329 PolarHBondContact O-N 3.29Å; G327-A329 VanDerWaalsContact O-N 3.16Å; A329-F333 VanDerWaalsContact O-CB 3.26Å; A329-F333 WeakPolarHBondContact O-CB 3.1Å; A329-F333 PolarHBondContact O-N 2.69Å; A329-L360 HydrophobicContact CB-CD2 4.37Å; A329-V365 HydrophobicContact CB-CB 4.43Å; A329-V365 HydrophobicContact CB-CG1 3.72Å; A329-V365 HydrophobicContact CB-CG2 3.82Å; A329-F396 HydrophobicContact CB-CB 4.22Å; A329-F396 WeakPolarHBondContact CB-O 3.25Å; A329-F396 PolarHBondContact N-O 3.28Å; A329-F396 VanDerWaalsContact N-O 3.08Å; A329-F398 HydrophobicContact CB-CD1 4.09Å; A329-F398 HydrophobicContact CB-CE1 3.82Å; A329-F398 HydrophobicContact CB-CE2 4.44Å; A329-F398 HydrophobicContact CB-CG 4.49Å; A329-F398 HydrophobicContact CB-CZ 4.03Å
330	V	93.4	Very high	89.8	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-67.8	-42.6	175.5	179.3	0	0	0	0	110.8	F299 P325 K326 G327 F333 N334 F396	F299-V330 HydrophobicContact CB-CG2 4.45Å; F299-V330 HydrophobicContact CD1-CG2 4.34Å; F299-V330 HydrophobicContact CD2-CB 4.49Å; F299-V330 HydrophobicContact CD2-CG2 4.07Å; F299-V330 HydrophobicContact CE2-CG2 4.39Å; F299-V330 HydrophobicContact CG-CG2 4.06Å; P325-V330 HydrophobicContact CB-CG1 4.38Å; P325-V330 HydrophobicContact CB-CG2 3.98Å; K326-V330 VanDerWaalsContact O-CG2 3.24Å; K326-V330 WeakPolarHBondContact O-CG2 3.49Å; G327-V330 WeakPolarHBondContact O-CA 3.25Å; G327-V330 WeakPolarHBondContact O-CB 3.37Å; G327-V330 PolarHBondContact O-N 3.09Å; V330-F333 PolarHBondContact O-N 2.88Å; V330-N334 VanDerWaalsContact CG1-ND2 3.3Å; V330-N334 WeakPolarHBondContact CG1-ND2 3.12Å; V330-N334 WeakPolarHBondContact O-CB 3.27Å; V330-N334 PolarHBondContact O-N 3.4Å; V330-N334 PolarHBondContact O-ND2 2.76Å; V330-F396 HydrophobicContact CG2-CB 4.01Å; V330-F396 HydrophobicContact CG2-CD2 3.77Å; V330-F396 HydrophobicContact CG2-CG 4.33Å
331	D	95.8	Very high	90.7	Very high	108 Å²	108	56.9 Å²	56.9	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-63.6	-46.1	178.3	-66.1	-22.2	0	0	0	111	G327 N334 S335	G327-D331 PolarHBondContact O-N 3.28Å; D331-N334 PolarHBondContact O-N 3.15Å; D331-S335 PolarHBondContact O-N 2.84Å
332	A	95.4	Very high	91.4	Very high	23 Å²	23	56.8 Å²	56.8	19%	0.19	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-46.5	175.3	0	0	0	0	0	111.9	T328 S335 Q359 F398	T328-A332 WeakPolarHBondContact O-CB 3.36Å; T328-A332 PolarHBondContact O-N 3.32Å; T328-A332 VanDerWaalsContact O-N 3.09Å; A332-S335 WeakPolarHBondContact O-CB 3.37Å; A332-S335 PolarHBondContact O-N 3.26Å; A332-S335 PolarHBondContact O-OG 2.9Å; A332-Q359 WeakPolarHBondContact O-CG 3.42Å; A332-F398 HydrophobicContact CB-CE2 3.68Å; A332-F398 HydrophobicContact CB-CZ 3.63Å
333	F	92.7	Very high	91.7	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-49.4	176.3	177.9	-89.3	0	0	0	111.5	W294 P296 F299 T300 A329 V330 S335 C356 V357 L360	W294-F333 HydrophobicContact CH2-CE2 4.15Å; P296-F333 HydrophobicContact CB-CE2 4.22Å; P296-F333 HydrophobicContact CB-CZ 3.83Å; F299-F333 HydrophobicContact CB-CD1 3.87Å; F299-F333 HydrophobicContact CB-CE1 4.1Å; F299-F333 HydrophobicContact CB-CG 4.32Å; F299-F333 HydrophobicContact CD2-CB 3.64Å; F299-F333 HydrophobicContact CD2-CD1 4.1Å; F299-F333 HydrophobicContact CD2-CD2 4.12Å; F299-F333 AromaticContact CD2-CG 3.7Å; F299-F333 HydrophobicContact CD2-CG 3.7Å; F299-F333 HydrophobicContact CE2-CB 4.21Å; F299-F333 HydrophobicContact CG-CG 4.48Å; T300-F333 HydrophobicContact CG2-CE1 4.26Å; A329-F333 VanDerWaalsContact O-CB 3.26Å; A329-F333 WeakPolarHBondContact O-CB 3.1Å; A329-F333 PolarHBondContact O-N 2.69Å; V330-F333 PolarHBondContact O-N 2.88Å; F333-S335 PolarHBondContact O-N 2.8Å; F333-C356 HydrophobicContact CD1-CB 3.93Å; F333-C356 VanDerWaalsContact CD2-C 3.41Å; F333-C356 HydrophobicContact CD2-CB 3.56Å; F333-C356 WeakPolarHBondContact CD2-O 3.34Å; F333-C356 HydrophobicContact CE1-CB 3.74Å; F333-C356 HydrophobicContact CE2-CB 3.36Å; F333-C356 HydrophobicContact CG-CB 3.83Å; F333-C356 HydrophobicContact CZ-CB 3.44Å; F333-C356 VanDerWaalsContact CZ-CB 3.44Å; F333-C356 VanDerWaalsContact O-CB 3.22Å; F333-C356 WeakPolarHBondContact O-CB 3.31Å; F333-C356 PolarHBondContact O-SG 2.65Å; F333-V357 HydrophobicContact CE2-CG2 3.86Å; F333-L360 HydrophobicContact CB-CD1 4.43Å; F333-L360 HydrophobicContact CB-CD2 4.35Å; F333-L360 HydrophobicContact CD2-CD1 3.59Å; F333-L360 HydrophobicContact CD2-CG 4.1Å; F333-L360 HydrophobicContact CE2-CD1 4.33Å; F333-L360 HydrophobicContact CG-CD1 4.39Å
334	N	91.1	Very high	92	Very high	54 Å²	54	60 Å²	60	29%	0.289	34%	0.338	S	S	.	.	H	α-helix	trans	-72.2	-15.9	-176.9	-74.9	-35.2	0	0	0	113.7	T300 V330 D331 M336 R337	T300-N334 WeakPolarHBondContact CG2-OD1 3.25Å; V330-N334 VanDerWaalsContact CG1-ND2 3.3Å; V330-N334 WeakPolarHBondContact CG1-ND2 3.12Å; V330-N334 WeakPolarHBondContact O-CB 3.27Å; V330-N334 PolarHBondContact O-N 3.4Å; V330-N334 PolarHBondContact O-ND2 2.76Å; D331-N334 PolarHBondContact O-N 3.15Å; N334-M336 PolarHBondContact O-N 2.96Å; N334-R337 HydrophobicContact CB-CG 4.34Å; N334-R337 WeakPolarHBondContact O-CB 3.41Å; N334-R337 WeakPolarHBondContact O-CG 3.34Å; N334-R337 PolarHBondContact O-N 3.37Å
335	S	93.8	Very high	92.3	Very high	53 Å²	53	62.1 Å²	62.1	37%	0.371	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.2	176.2	77.5	0	0	0	0	114.3	D331 A332 F333 K339	D331-S335 PolarHBondContact O-N 2.84Å; A332-S335 WeakPolarHBondContact O-CB 3.37Å; A332-S335 PolarHBondContact O-N 3.26Å; A332-S335 PolarHBondContact O-OG 2.9Å; F333-S335 PolarHBondContact O-N 2.8Å; S335-K339 VanDerWaalsContact O-CE 3.26Å; S335-K339 WeakPolarHBondContact O-CE 3.44Å; S335-K339 PolarHBondContact O-NZ 3.39Å
336	M	91.6	Very high	92.3	Very high	31 Å²	31	63.9 Å²	63.9	15%	0.153	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	1.4	179.3	-58.1	-52.9	-66.8	0	0	114.2	N334 G338 K339 K355 Q359	N334-M336 PolarHBondContact O-N 2.96Å; M336-G338 PolarHBondContact O-N 3.04Å; M336-K339 HydrophobicContact CE-CB 4.32Å; M336-K339 HydrophobicContact CE-CD 4.15Å; M336-K339 WeakPolarHBondContact O-CB 3.06Å; M336-K339 PolarHBondContact O-N 3.17Å; M336-K339 VanDerWaalsContact O-N 3.1Å; M336-K339 HydrophobicContact SD-CD 4.22Å; M336-K355 HydrophobicContact CB-CB 3.98Å; M336-K355 HydrophobicContact CE-CB 4.19Å; M336-K355 HydrophobicContact CE-CD 4.48Å; M336-K355 HydrophobicContact CG-CB 4.4Å; M336-Q359 HydrophobicContact CG-CG 3.55Å
337	R	87.4	Confident	92.1	Very high	69 Å²	69	61.6 Å²	61.6	26%	0.26	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	135.8	177.7	-73.5	-67.8	-175.7	-167.7	-1.1	111.5	L238 T300 N334 K339 D352 T353	L238-R337 VanDerWaalsContact CD1-NH2 3.33Å; T300-R337 VanDerWaalsContact CG2-NH2 3.35Å; N334-R337 HydrophobicContact CB-CG 4.34Å; N334-R337 WeakPolarHBondContact O-CB 3.41Å; N334-R337 WeakPolarHBondContact O-CG 3.34Å; N334-R337 PolarHBondContact O-N 3.37Å; R337-K339 PolarHBondContact O-N 3.5Å; R337-D352 IonicContact NH1-OD2 3.5Å; R337-T353 PolarHBondContact NH1-OG1 3.19Å
338	G	85.9	Confident	91.5	Very high	71 Å²	71	64 Å²	64	73%	0.732	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	3.3	-176.4	0	0	0	0	0	115.1	M336 D352	M336-G338 PolarHBondContact O-N 3.04Å; G338-D352 PolarHBondContact N-OD2 2.76Å
339	K	90.8	Very high	91.1	Very high	112 Å²	112	64.1 Å²	64.1	49%	0.487	38%	0.382	S	S	.	.			trans	-102.3	38.5	-178.7	-57.2	-175.8	-177.1	163.3	0	112.9	S335 M336 R337 K355	S335-K339 VanDerWaalsContact O-CE 3.26Å; S335-K339 WeakPolarHBondContact O-CE 3.44Å; S335-K339 PolarHBondContact O-NZ 3.39Å; M336-K339 HydrophobicContact CE-CB 4.32Å; M336-K339 HydrophobicContact CE-CD 4.15Å; M336-K339 WeakPolarHBondContact O-CB 3.06Å; M336-K339 PolarHBondContact O-N 3.17Å; M336-K339 VanDerWaalsContact O-N 3.1Å; M336-K339 HydrophobicContact SD-CD 4.22Å; R337-K339 PolarHBondContact O-N 3.5Å; K339-K355 WeakPolarHBondContact O-CD 3.28Å; K339-K355 WeakPolarHBondContact O-CE 3.47Å; K339-K355 PolarHBondContact O-NZ 2.96Å
340	A	89	Confident	90.7	Very high	26 Å²	26	66.9 Å²	66.9	22%	0.215	39%	0.394	C	S	.	.			trans	-55.7	147.7	175.9	0	0	0	0	0	111.4	Y342 K350 D352	A340-Y342 HydrophobicContact CB-CE2 3.72Å; A340-K350 CarbonylContact C-O 3.5Å; A340-K350 WeakPolarHBondContact CA-O 3.41Å; A340-D352 HydrophobicContact CB-CB 4.31Å
341	E	90.6	Very high	90.4	Very high	72 Å²	72	67.6 Å²	67.6	34%	0.336	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.9	174.9	-73.8	164.9	-154.2	0	0	110.1	C348 T349 K350 K355	E341-C348 CarbonylContact O-C 3.54Å; E341-C348 WeakPolarHBondContact O-CA 3.44Å; E341-C348 PolarHBondContact O-SG 2.76Å; E341-T349 WeakPolarHBondContact CB-OG1 3.35Å; E341-T349 PolarHBondContact O-N 3.12Å; E341-T349 PolarHBondContact O-OG1 3.17Å; E341-K350 HydrophobicContact CB-CB 4.13Å; E341-K350 PolarHBondContact N-O 2.92Å; E341-K350 PolarHBondContact O-N 3.19Å; E341-K350 WeakPolarHBondContact OE2-CD 3.48Å; E341-K355 HydrophobicContact CG-CD 3.95Å; E341-K355 WeakPolarHBondContact OE1-CD 3.34Å; E341-K355 WeakPolarHBondContact OE1-CE 3.47Å; E341-K355 IonicContact OE1-NZ 2.73Å; E341-K355 PolarHBondContact OE1-NZ 2.83Å
342	Y	91	Very high	89.9	Confident	147 Å²	147	63.7 Å²	63.7	58%	0.576	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.1	178.8	-60.1	-91.6	0	0	0	108.9	A340 G346 N347 C348	A340-Y342 HydrophobicContact CB-CE2 3.72Å; Y342-G346 WeakPolarHBondContact CD1-O 3.37Å; Y342-N347 CarbonylContact C-O 3.54Å; Y342-N347 WeakPolarHBondContact CA-O 2.91Å; Y342-C348 HydrophobicContact CD1-CB 3.95Å; Y342-C348 HydrophobicContact CE1-CB 3.76Å
343	D	92.6	Very high	89.5	Confident	56 Å²	56	62.6 Å²	62.6	30%	0.299	37%	0.368	S	S	.	.			trans	-74.3	178	170.2	68.4	13.7	0	0	0	110.8	N345 G346 N347 T349	D343-N345 PolarHBondContact O-N 2.86Å; D343-N345 VanDerWaalsContact O-N 3.12Å; D343-N345 VanDerWaalsContact OD1-C 3.31Å; D343-N345 VanDerWaalsContact OD1-CA 3.29Å; D343-N345 WeakPolarHBondContact OD1-CA 3.33Å; D343-N345 WeakPolarHBondContact OD1-CB 2.83Å; D343-N345 PolarHBondContact OD1-N 3.15Å; D343-G346 PolarHBondContact O-N 3.43Å; D343-G346 PolarHBondContact OD1-N 2.91Å; D343-N347 PolarHBondContact N-O 3.25Å; D343-N347 PolarHBondContact OD1-N 2.84Å; D343-N347 PolarHBondContact OD1-ND2 3.07Å; D343-N347 WeakPolarHBondContact OD2-CB 3.48Å; D343-N347 PolarHBondContact OD2-ND2 3.13Å; D343-T349 HydrophobicContact CB-CG2 3.7Å
344	A	94.1	Very high	89.3	Confident	110 Å²	110	64.4 Å²	64.4	91%	0.909	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.2	177.4	0	0	0	0	0	113.8
345	N	93.4	Very high	89.2	Confident	134 Å²	134	62.9 Å²	62.9	72%	0.717	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	0.3	177.9	-58.4	-42.1	0	0	0	112.3	D343 N347	D343-N345 PolarHBondContact O-N 2.86Å; D343-N345 VanDerWaalsContact O-N 3.12Å; D343-N345 VanDerWaalsContact OD1-C 3.31Å; D343-N345 VanDerWaalsContact OD1-CA 3.29Å; D343-N345 WeakPolarHBondContact OD1-CA 3.33Å; D343-N345 WeakPolarHBondContact OD1-CB 2.83Å; D343-N345 PolarHBondContact OD1-N 3.15Å; N345-N347 VanDerWaalsContact C-N 3.33Å
346	G	88.2	Confident	89	Confident	51 Å²	51	60.3 Å²	60.3	53%	0.526	35%	0.349	S	S	.	.	S	Bend	trans	78.9	10.7	-176.4	0	0	0	0	0	114.3	Y342 D343	Y342-G346 WeakPolarHBondContact CD1-O 3.37Å; D343-G346 PolarHBondContact O-N 3.43Å; D343-G346 PolarHBondContact OD1-N 2.91Å
347	N	88.5	Confident	89	Confident	92 Å²	92	58.9 Å²	58.9	49%	0.492	34%	0.342	S	S	.	.			trans	-78.4	134.5	172.8	-54.2	-59	0	0	0	109.7	Y342 D343 N345 T349	Y342-N347 CarbonylContact C-O 3.54Å; Y342-N347 WeakPolarHBondContact CA-O 2.91Å; D343-N347 PolarHBondContact N-O 3.25Å; D343-N347 PolarHBondContact OD1-N 2.84Å; D343-N347 PolarHBondContact OD1-ND2 3.07Å; D343-N347 WeakPolarHBondContact OD2-CB 3.48Å; D343-N347 PolarHBondContact OD2-ND2 3.13Å; N345-N347 VanDerWaalsContact C-N 3.33Å; N347-T349 PolarHBondContact O-N 3.17Å; N347-T349 VanDerWaalsContact O-N 3.16Å
348	C	84.2	Confident	89.3	Confident	63 Å²	63	58.4 Å²	58.4	43%	0.426	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	115.6	176.5	-172.7	0	0	0	0	110.3	E341 Y342 K350	E341-C348 CarbonylContact O-C 3.54Å; E341-C348 WeakPolarHBondContact O-CA 3.44Å; E341-C348 PolarHBondContact O-SG 2.76Å; Y342-C348 HydrophobicContact CD1-CB 3.95Å; Y342-C348 HydrophobicContact CE1-CB 3.76Å; C348-K350 PolarHBondContact SG-O 2.79Å; C348-K350 VanDerWaalsContact SG-O 3.33Å
349	T	87.2	Confident	89.7	Confident	72 Å²	72	57.9 Å²	57.9	44%	0.442	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-31.5	176.5	55.4	0	0	0	0	112.5	E341 D343 N347	E341-T349 WeakPolarHBondContact CB-OG1 3.35Å; E341-T349 PolarHBondContact O-N 3.12Å; E341-T349 PolarHBondContact O-OG1 3.17Å; D343-T349 HydrophobicContact CB-CG2 3.7Å; N347-T349 PolarHBondContact O-N 3.17Å; N347-T349 VanDerWaalsContact O-N 3.16Å
350	K	87.3	Confident	89.9	Confident	58 Å²	58	52.5 Å²	52.5	25%	0.252	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	129.6	167.9	-61.7	-169.8	-178.1	-170.8	0	110.1	A340 E341 C348 K355 E358	A340-K350 CarbonylContact C-O 3.5Å; A340-K350 WeakPolarHBondContact CA-O 3.41Å; E341-K350 HydrophobicContact CB-CB 4.13Å; E341-K350 PolarHBondContact N-O 2.92Å; E341-K350 PolarHBondContact O-N 3.19Å; E341-K350 WeakPolarHBondContact OE2-CD 3.48Å; C348-K350 PolarHBondContact SG-O 2.79Å; C348-K350 VanDerWaalsContact SG-O 3.33Å; K350-K355 HydrophobicContact CB-CD 4.25Å; K350-K355 HydrophobicContact CB-CG 4.07Å; K350-K355 HydrophobicContact CD-CG 4.2Å; K350-E358 WeakPolarHBondContact CE-OE1 3.37Å; K350-E358 VanDerWaalsContact NZ-CD 3.32Å; K350-E358 IonicContact NZ-OE1 2.69Å; K350-E358 PolarHBondContact NZ-OE1 2.88Å; K350-E358 IonicContact NZ-OE2 3.48Å; K350-E358 PolarHBondContact NZ-OE2 2.69Å; K350-E358 VanDerWaalsContact NZ-OE2 3.1Å
351	T	86.8	Confident	90.2	Very high	17 Å²	17	53.3 Å²	53.3	10%	0.104	30%	0.299	C	S	.	.			trans	-71.2	157.3	172.7	62.9	0	0	0	0	110.7	V233 F234 T353 Q354 K355	V233-T351 HydrophobicContact CG1-CG2 3.65Å; F234-T351 WeakPolarHBondContact O-CB 3.23Å; F234-T351 WeakPolarHBondContact O-CG2 3.4Å; F234-T351 PolarHBondContact O-OG1 3.39Å; T351-T353 PolarHBondContact O-N 3.11Å; T351-Q354 PolarHBondContact O-N 3.03Å; T351-Q354 WeakPolarHBondContact OG1-CB 3.45Å; T351-Q354 PolarHBondContact OG1-N 2.91Å; T351-K355 WeakPolarHBondContact O-CG 3.22Å; T351-K355 PolarHBondContact O-N 3.09Å; T351-K355 VanDerWaalsContact O-N 3.07Å
352	D	86.8	Confident	90.4	Very high	26 Å²	26	52.6 Å²	52.6	14%	0.139	31%	0.31	C	S	.	.	H	α-helix	trans	-57.3	-38.1	172.9	73.4	-30.8	0	0	0	111.1	R337 G338 A340 K355 C356	R337-D352 IonicContact NH1-OD2 3.5Å; G338-D352 PolarHBondContact N-OD2 2.76Å; A340-D352 HydrophobicContact CB-CB 4.31Å; D352-K355 CarbonylContact O-C 3.58Å; D352-K355 WeakPolarHBondContact O-CB 3.16Å; D352-K355 PolarHBondContact O-N 2.91Å; D352-C356 PolarHBondContact O-N 2.83Å; D352-C356 PolarHBondContact O-SG 3.48Å
353	T	86.7	Confident	90.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-43.4	176.9	-60.9	0	0	0	0	111.9	F234 L238 P296 R337 T351 K355 C356 V357	F234-T353 HydrophobicContact CB-CG2 3.59Å; F234-T353 HydrophobicContact CD1-CG2 4.27Å; F234-T353 HydrophobicContact CG-CG2 4.01Å; L238-T353 HydrophobicContact CD1-CG2 3.69Å; L238-T353 HydrophobicContact CD2-CG2 4.45Å; L238-T353 HydrophobicContact CG-CG2 4.45Å; P296-T353 HydrophobicContact CB-CG2 3.88Å; P296-T353 HydrophobicContact CG-CG2 4.1Å; R337-T353 PolarHBondContact NH1-OG1 3.19Å; T351-T353 PolarHBondContact O-N 3.11Å; T353-K355 VanDerWaalsContact C-N 3.28Å; T353-K355 PolarHBondContact O-N 2.8Å; T353-C356 WeakPolarHBondContact O-CB 3.47Å; T353-C356 PolarHBondContact O-N 2.77Å; T353-V357 WeakPolarHBondContact O-CG2 3.37Å; T353-V357 PolarHBondContact O-N 2.96Å
354	Q	87.1	Confident	90.9	Very high	38 Å²	38	50.8 Å²	50.8	18%	0.178	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-45.5	173.9	178.4	176.8	-12.5	0	0	110.5	F234 T351 C356 V357 E358	F234-Q354 HydrophobicContact CB-CB 4.38Å; F234-Q354 HydrophobicContact CD2-CB 4.4Å; T351-Q354 PolarHBondContact O-N 3.03Å; T351-Q354 WeakPolarHBondContact OG1-CB 3.45Å; T351-Q354 PolarHBondContact OG1-N 2.91Å; Q354-C356 VanDerWaalsContact C-N 3.32Å; Q354-C356 PolarHBondContact O-N 3.28Å; Q354-V357 PolarHBondContact O-N 2.92Å; Q354-V357 VanDerWaalsContact O-N 3.16Å; Q354-E358 WeakPolarHBondContact O-CG 3.4Å; Q354-E358 PolarHBondContact O-N 3Å
355	K	89.2	Confident	91	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.096	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-34.2	177.2	-66.1	177.4	60.9	161.2	0	113.1	M336 K339 E341 K350 T351 D352 T353 E358 Q359	M336-K355 HydrophobicContact CB-CB 3.98Å; M336-K355 HydrophobicContact CE-CB 4.19Å; M336-K355 HydrophobicContact CE-CD 4.48Å; M336-K355 HydrophobicContact CG-CB 4.4Å; K339-K355 WeakPolarHBondContact O-CD 3.28Å; K339-K355 WeakPolarHBondContact O-CE 3.47Å; K339-K355 PolarHBondContact O-NZ 2.96Å; E341-K355 HydrophobicContact CG-CD 3.95Å; E341-K355 WeakPolarHBondContact OE1-CD 3.34Å; E341-K355 WeakPolarHBondContact OE1-CE 3.47Å; E341-K355 IonicContact OE1-NZ 2.73Å; E341-K355 PolarHBondContact OE1-NZ 2.83Å; K350-K355 HydrophobicContact CB-CD 4.25Å; K350-K355 HydrophobicContact CB-CG 4.07Å; K350-K355 HydrophobicContact CD-CG 4.2Å; T351-K355 WeakPolarHBondContact O-CG 3.22Å; T351-K355 PolarHBondContact O-N 3.09Å; T351-K355 VanDerWaalsContact O-N 3.07Å; D352-K355 CarbonylContact O-C 3.58Å; D352-K355 WeakPolarHBondContact O-CB 3.16Å; D352-K355 PolarHBondContact O-N 2.91Å; T353-K355 VanDerWaalsContact C-N 3.28Å; T353-K355 PolarHBondContact O-N 2.8Å; K355-E358 PolarHBondContact O-N 2.71Å; K355-Q359 WeakPolarHBondContact O-CG 3.19Å; K355-Q359 PolarHBondContact O-N 2.87Å; K355-Q359 PolarHBondContact O-NE2 3.41Å
356	C	91.5	Very high	91.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-46.6	171.5	-65.6	0	0	0	0	111	F333 D352 T353 Q354 E358 Q359	F333-C356 HydrophobicContact CD1-CB 3.93Å; F333-C356 VanDerWaalsContact CD2-C 3.41Å; F333-C356 HydrophobicContact CD2-CB 3.56Å; F333-C356 WeakPolarHBondContact CD2-O 3.34Å; F333-C356 HydrophobicContact CE1-CB 3.74Å; F333-C356 HydrophobicContact CE2-CB 3.36Å; F333-C356 HydrophobicContact CG-CB 3.83Å; F333-C356 HydrophobicContact CZ-CB 3.44Å; F333-C356 VanDerWaalsContact CZ-CB 3.44Å; F333-C356 VanDerWaalsContact O-CB 3.22Å; F333-C356 WeakPolarHBondContact O-CB 3.31Å; F333-C356 PolarHBondContact O-SG 2.65Å; D352-C356 PolarHBondContact O-N 2.83Å; D352-C356 PolarHBondContact O-SG 3.48Å; T353-C356 WeakPolarHBondContact O-CB 3.47Å; T353-C356 PolarHBondContact O-N 2.77Å; Q354-C356 VanDerWaalsContact C-N 3.32Å; Q354-C356 PolarHBondContact O-N 3.28Å; C356-E358 VanDerWaalsContact C-N 3.32Å; C356-E358 PolarHBondContact O-N 3.48Å; C356-Q359 WeakPolarHBondContact O-CB 3.47Å; C356-Q359 PolarHBondContact O-N 2.75Å; C356-Q359 VanDerWaalsContact O-N 3.15Å
357	V	91.2	Very high	91.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-37.9	177.3	176.6	0	0	0	0	111.2	F234 I260 I278 W294 P296 F333 T353 Q354 Q359 L360 L361	F234-V357 HydrophobicContact CD2-CB 4.42Å; F234-V357 HydrophobicContact CD2-CG2 4.06Å; F234-V357 HydrophobicContact CE2-CB 4.05Å; F234-V357 HydrophobicContact CE2-CG1 3.94Å; F234-V357 HydrophobicContact CE2-CG2 3.75Å; F234-V357 HydrophobicContact CZ-CG1 4.4Å; F234-V357 HydrophobicContact CZ-CG2 4.01Å; I260-V357 HydrophobicContact CD1-CG1 3.86Å; I278-V357 HydrophobicContact CD1-CG1 3.68Å; W294-V357 HydrophobicContact CH2-CG2 4.32Å; W294-V357 HydrophobicContact CZ3-CG2 4.12Å; P296-V357 HydrophobicContact CB-CG2 4.12Å; P296-V357 HydrophobicContact CG-CG2 3.82Å; F333-V357 HydrophobicContact CE2-CG2 3.86Å; T353-V357 WeakPolarHBondContact O-CG2 3.37Å; T353-V357 PolarHBondContact O-N 2.96Å; Q354-V357 PolarHBondContact O-N 2.92Å; Q354-V357 VanDerWaalsContact O-N 3.16Å; V357-Q359 PolarHBondContact O-N 3.28Å; V357-Q359 VanDerWaalsContact O-N 3.15Å; V357-L360 WeakPolarHBondContact O-CB 3.28Å; V357-L360 PolarHBondContact O-N 2.9Å; V357-L361 PolarHBondContact O-N 2.89Å
358	E	92.5	Very high	91.5	Very high	59 Å²	59	39.4 Å²	39.4	28%	0.276	21%	0.213	S	C	.	.	H	α-helix	trans	-56.7	-27.6	174.4	-74.3	174	175.2	0	0	112.7	K350 Q354 K355 C356 L360 L361	K350-E358 WeakPolarHBondContact CE-OE1 3.37Å; K350-E358 VanDerWaalsContact NZ-CD 3.32Å; K350-E358 IonicContact NZ-OE1 2.69Å; K350-E358 PolarHBondContact NZ-OE1 2.88Å; K350-E358 IonicContact NZ-OE2 3.48Å; K350-E358 PolarHBondContact NZ-OE2 2.69Å; K350-E358 VanDerWaalsContact NZ-OE2 3.1Å; Q354-E358 WeakPolarHBondContact O-CG 3.4Å; Q354-E358 PolarHBondContact O-N 3Å; K355-E358 PolarHBondContact O-N 2.71Å; C356-E358 VanDerWaalsContact C-N 3.32Å; C356-E358 PolarHBondContact O-N 3.48Å; E358-L360 PolarHBondContact O-N 3.07Å; E358-L361 HydrophobicContact CB-CD1 4.49Å; E358-L361 HydrophobicContact CG-CD1 4.21Å; E358-L361 PolarHBondContact O-N 3.48Å
359	Q	94.9	Very high	91.9	Very high	60 Å²	60	40.9 Å²	40.9	28%	0.28	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.9	174.8	-57.5	-50	-57.1	0	0	114	A332 M336 K355 C356 V357 K363	A332-Q359 WeakPolarHBondContact O-CG 3.42Å; M336-Q359 HydrophobicContact CG-CG 3.55Å; K355-Q359 WeakPolarHBondContact O-CG 3.19Å; K355-Q359 PolarHBondContact O-N 2.87Å; K355-Q359 PolarHBondContact O-NE2 3.41Å; C356-Q359 WeakPolarHBondContact O-CB 3.47Å; C356-Q359 PolarHBondContact O-N 2.75Å; C356-Q359 VanDerWaalsContact O-N 3.15Å; V357-Q359 PolarHBondContact O-N 3.28Å; V357-Q359 VanDerWaalsContact O-N 3.15Å; Q359-K363 WeakPolarHBondContact O-CD 3.41Å; Q359-K363 VanDerWaalsContact O-CE 3.24Å; Q359-K363 WeakPolarHBondContact O-CE 2.98Å; Q359-K363 PolarHBondContact O-NZ 3.43Å
360	L	95.3	Very high	92	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-16.4	-177.4	-56.1	-179.6	0	0	0	112.8	F256 W294 F299 A329 F333 V357 E358 G362 K363 F398	F256-L360 HydrophobicContact CB-CB 4.44Å; F256-L360 WeakPolarHBondContact CB-O 3.16Å; F256-L360 HydrophobicContact CD1-CB 3.62Å; F256-L360 HydrophobicContact CD1-CD1 4.26Å; F256-L360 HydrophobicContact CD2-CB 4.11Å; F256-L360 HydrophobicContact CE1-CB 3.82Å; F256-L360 HydrophobicContact CE1-CD1 3.55Å; F256-L360 HydrophobicContact CE1-CG 4.34Å; F256-L360 HydrophobicContact CE2-CB 4.29Å; F256-L360 HydrophobicContact CE2-CD1 4.12Å; F256-L360 HydrophobicContact CG-CB 3.79Å; F256-L360 HydrophobicContact CZ-CB 4.16Å; F256-L360 HydrophobicContact CZ-CD1 3.48Å; F256-L360 VanDerWaalsContact CZ-CD1 3.48Å; F256-L360 HydrophobicContact CZ-CG 4.41Å; W294-L360 HydrophobicContact CH2-CD1 3.95Å; W294-L360 HydrophobicContact CZ2-CD1 4.09Å; F299-L360 HydrophobicContact CD2-CD1 4.16Å; F299-L360 HydrophobicContact CE2-CD1 3.61Å; F299-L360 HydrophobicContact CE2-CD2 4.05Å; F299-L360 HydrophobicContact CE2-CG 4.5Å; F299-L360 HydrophobicContact CZ-CD1 4.23Å; A329-L360 HydrophobicContact CB-CD2 4.37Å; F333-L360 HydrophobicContact CB-CD1 4.43Å; F333-L360 HydrophobicContact CB-CD2 4.35Å; F333-L360 HydrophobicContact CD2-CD1 3.59Å; F333-L360 HydrophobicContact CD2-CG 4.1Å; F333-L360 HydrophobicContact CE2-CD1 4.33Å; F333-L360 HydrophobicContact CG-CD1 4.39Å; V357-L360 WeakPolarHBondContact O-CB 3.28Å; V357-L360 PolarHBondContact O-N 2.9Å; E358-L360 PolarHBondContact O-N 3.07Å; L360-G362 PolarHBondContact O-N 3.48Å; L360-K363 VanDerWaalsContact O-CB 3.31Å; L360-K363 WeakPolarHBondContact O-CB 3.32Å; L360-K363 PolarHBondContact O-N 2.97Å; L360-K363 VanDerWaalsContact O-N 3.08Å; L360-F398 HydrophobicContact CD2-CE1 3.99Å; L360-F398 HydrophobicContact CD2-CZ 4.17Å
361	L	94.6	Very high	92	Very high	43 Å²	43	40.2 Å²	40.2	23%	0.225	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	136	-175.4	-62	179.5	0	0	0	112.2	P257 I260 V357 E358 K363	P257-L361 HydrophobicContact CG-CD2 4.33Å; P257-L361 CarbonylContact O-C 3.58Å; P257-L361 WeakPolarHBondContact O-CA 3.35Å; P257-L361 WeakPolarHBondContact O-CB 3.22Å; P257-L361 WeakPolarHBondContact O-CD2 3.08Å; I260-L361 HydrophobicContact CD1-CD1 4.45Å; I260-L361 HydrophobicContact CD1-CD2 4.09Å; I260-L361 HydrophobicContact CG1-CD1 4.28Å; I260-L361 HydrophobicContact CG1-CD2 3.68Å; V357-L361 PolarHBondContact O-N 2.89Å; E358-L361 HydrophobicContact CB-CD1 4.49Å; E358-L361 HydrophobicContact CG-CD1 4.21Å; E358-L361 PolarHBondContact O-N 3.48Å; L361-K363 PolarHBondContact O-N 3.23Å
362	G	95.8	Very high	92	Very high	56 Å²	56	42 Å²	42	58%	0.577	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	5	-177.1	0	0	0	0	0	115.1	F256 P257 L360	F256-G362 PolarHBondContact O-N 3.41Å; P257-G362 PolarHBondContact O-N 2.95Å; L360-G362 PolarHBondContact O-N 3.48Å
363	K	97.3	Very high	91.9	Very high	78 Å²	78	41.5 Å²	41.5	34%	0.339	21%	0.209	S	C	.	.			trans	-104.2	155.8	-178.2	-55.9	-177	-177.8	171.5	0	111.9	F256 Q359 L360 L361 F398	F256-K363 PolarHBondContact N-O 2.96Å; Q359-K363 WeakPolarHBondContact O-CD 3.41Å; Q359-K363 VanDerWaalsContact O-CE 3.24Å; Q359-K363 WeakPolarHBondContact O-CE 2.98Å; Q359-K363 PolarHBondContact O-NZ 3.43Å; L360-K363 VanDerWaalsContact O-CB 3.31Å; L360-K363 WeakPolarHBondContact O-CB 3.32Å; L360-K363 PolarHBondContact O-N 2.97Å; L360-K363 VanDerWaalsContact O-N 3.08Å; L361-K363 PolarHBondContact O-N 3.23Å; K363-F398 HydrophobicContact CB-CD1 4.05Å; K363-F398 HydrophobicContact CB-CE1 4.02Å; K363-F398 HydrophobicContact CD-CD1 3.79Å; K363-F398 HydrophobicContact CD-CE1 3.27Å; K363-F398 HydrophobicContact CD-CZ 3.72Å; K363-F398 HydrophobicContact CG-CE1 4.28Å
364	K	97.2	Very high	92	Very high	88 Å²	88	44.7 Å²	44.7	38%	0.383	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136	168.8	-61.9	-169	-177.5	-153.6	0	109.4	I253 I254 E255 F398 A399	I253-K364 HydrophobicContact CG2-CB 3.99Å; I253-K364 HydrophobicContact CG2-CD 4.32Å; I254-K364 WeakPolarHBondContact O-CA 3.28Å; E255-K364 HydrophobicContact CG-CD 4.32Å; E255-K364 HydrophobicContact CG-CG 4.17Å; E255-K364 WeakPolarHBondContact OE1-CE 3.18Å; E255-K364 IonicContact OE1-NZ 3.46Å; E255-K364 PolarHBondContact OE1-NZ 3.28Å; K364-F398 WeakPolarHBondContact O-CA 3.19Å; K364-A399 HydrophobicContact CB-CB 3.92Å; K364-A399 PolarHBondContact O-N 3.45Å
365	V	95.3	Very high	92	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.1	-179.7	178.8	0	0	0	0	108.9	I253 I254 F256 F299 A329 F396 D397 F398	I253-V365 CarbonylContact C-O 3.55Å; I253-V365 WeakPolarHBondContact CA-O 3.38Å; I254-V365 HydrophobicContact CB-CB 4.48Å; I254-V365 PolarHBondContact N-O 2.89Å; I254-V365 PolarHBondContact O-N 3.02Å; F256-V365 HydrophobicContact CD2-CG2 3.94Å; F256-V365 HydrophobicContact CE2-CB 4.18Å; F256-V365 HydrophobicContact CE2-CG2 3.68Å; F299-V365 HydrophobicContact CZ-CG1 4.21Å; A329-V365 HydrophobicContact CB-CB 4.43Å; A329-V365 HydrophobicContact CB-CG1 3.72Å; A329-V365 HydrophobicContact CB-CG2 3.82Å; V365-F396 HydrophobicContact CG1-CB 3.64Å; V365-F396 HydrophobicContact CG1-CD1 4.05Å; V365-F396 HydrophobicContact CG1-CG 4.33Å; V365-D397 CarbonylContact C-O 3.46Å; V365-D397 WeakPolarHBondContact CA-O 3.36Å; V365-F398 HydrophobicContact CG2-CD1 4.16Å; V365-F398 HydrophobicContact CG2-CE1 4.23Å
366	K	95.3	Very high	91.7	Very high	90 Å²	90	42.5 Å²	42.5	39%	0.391	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137.6	176.2	-176	175.5	-176	-179.2	0	110.5	D252 I253 T368 D397 A399	D252-K366 WeakPolarHBondContact O-CA 3.47Å; I253-K366 HydrophobicContact CG1-CB 4.31Å; I253-K366 HydrophobicContact CG1-CG 4.27Å; K366-T368 HydrophobicContact CB-CG2 4.49Å; K366-T368 HydrophobicContact CD-CG2 4.48Å; K366-T368 HydrophobicContact CG-CG2 4.29Å; K366-T368 PolarHBondContact O-N 2.96Å; K366-D397 PolarHBondContact N-O 2.85Å; K366-D397 PolarHBondContact O-N 3.3Å; K366-A399 HydrophobicContact CB-CB 4.08Å
367	I	92	Very high	90.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	105.8	169.3	-57.6	-178.7	0	0	0	107.3	F248 G251 D252 I254 M394 T395 F396	F248-I367 HydrophobicContact CB-CD1 3.43Å; F248-I367 VanDerWaalsContact CB-CD1 3.43Å; F248-I367 HydrophobicContact CD1-CD1 3.59Å; F248-I367 HydrophobicContact CE1-CD1 4.49Å; F248-I367 HydrophobicContact CG-CD1 3.61Å; G251-I367 PolarHBondContact N-O 3.35Å; D252-I367 HydrophobicContact CB-CD1 4.15Å; D252-I367 PolarHBondContact O-N 2.86Å; I254-I367 HydrophobicContact CD1-CD1 4.4Å; I367-M394 HydrophobicContact CD1-SD 3.96Å; I367-M394 HydrophobicContact CG2-CB 4.21Å; I367-M394 HydrophobicContact CG2-CG 4.12Å; I367-M394 HydrophobicContact CG2-SD 4.35Å; I367-T395 WeakPolarHBondContact CA-O 3.48Å; I367-F396 HydrophobicContact CD1-CD1 4.5Å; I367-F396 HydrophobicContact CD1-CE1 3.94Å; I367-F396 HydrophobicContact CG1-CD1 3.87Å; I367-F396 HydrophobicContact CG1-CE1 3.81Å
368	T	94.2	Very high	89.9	Confident	58 Å²	58	47.8 Å²	47.8	36%	0.356	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-21.6	-173.7	50.9	0	0	0	0	113	K366 T395 D397	K366-T368 HydrophobicContact CB-CG2 4.49Å; K366-T368 HydrophobicContact CD-CG2 4.48Å; K366-T368 HydrophobicContact CG-CG2 4.29Å; K366-T368 PolarHBondContact O-N 2.96Å; T368-T395 PolarHBondContact N-O 2.8Å; T368-T395 WeakPolarHBondContact OG1-CB 3.47Å; T368-T395 VanDerWaalsContact OG1-CG2 3.24Å; T368-T395 WeakPolarHBondContact OG1-CG2 3.49Å; T368-T395 PolarHBondContact OG1-O 2.88Å; T368-D397 WeakPolarHBondContact CB-OD2 3.3Å; T368-D397 HydrophobicContact CG2-CB 3.8Å; T368-D397 VanDerWaalsContact CG2-OD2 3.31Å; T368-D397 WeakPolarHBondContact CG2-OD2 3.36Å; T368-D397 PolarHBondContact OG1-OD2 3.02Å
369	K	92.2	Very high	88.8	Confident	94 Å²	94	48 Å²	48	41%	0.409	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	144.1	176.7	-161.7	-178.7	-176	-134.4	0	111.2	E250 D371 M394 T395	E250-K369 VanDerWaalsContact OE1-CA 3.32Å; E250-K369 WeakPolarHBondContact OE1-CA 3.5Å; K369-D371 VanDerWaalsContact CE-OD1 3.24Å; K369-D371 WeakPolarHBondContact CE-OD1 3.41Å; K369-D371 IonicContact NZ-OD1 2.88Å; K369-D371 PolarHBondContact NZ-OD1 2.74Å; K369-D371 IonicContact NZ-OD2 2.69Å; K369-D371 PolarHBondContact NZ-OD2 2.98Å; K369-M394 CarbonylContact O-C 3.56Å; K369-M394 VanDerWaalsContact O-CA 3.25Å; K369-M394 WeakPolarHBondContact O-CA 3.35Å; K369-T395 PolarHBondContact O-N 3.4Å
370	R	87.8	Confident	87.6	Confident	60 Å²	60	52.3 Å²	52.3	23%	0.226	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	106.4	175.2	-177.6	177.7	175.3	-87.2	7.1	110.6	L245 F248 E250 A392 M394	L245-R370 PolarHBondContact O-NH2 3.41Å; F248-R370 WeakPolarHBondContact O-CD 3.35Å; F248-R370 PolarHBondContact O-NE 3.41Å; F248-R370 VanDerWaalsContact O-NE 3.16Å; E250-R370 HydrophobicContact CG-CB 3.66Å; E250-R370 PolarHBondContact OE1-N 3Å; R370-A392 HydrophobicContact CG-CB 4.18Å; R370-M394 HydrophobicContact CG-CE 4.47Å; R370-M394 HydrophobicContact CG-CG 4.34Å
371	D	87.6	Confident	86.3	Confident	56 Å²	56	57.8 Å²	57.8	30%	0.299	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.9	175.5	-66	-47.6	0	0	0	110.3	K369 I373 A392 V393	K369-D371 VanDerWaalsContact CE-OD1 3.24Å; K369-D371 WeakPolarHBondContact CE-OD1 3.41Å; K369-D371 IonicContact NZ-OD1 2.88Å; K369-D371 PolarHBondContact NZ-OD1 2.74Å; K369-D371 IonicContact NZ-OD2 2.69Å; K369-D371 PolarHBondContact NZ-OD2 2.98Å; D371-I373 HydrophobicContact CB-CD1 4.2Å; D371-A392 CarbonylContact O-C 3.53Å; D371-A392 WeakPolarHBondContact O-CA 3.16Å; D371-V393 PolarHBondContact N-O 3.06Å; D371-V393 PolarHBondContact O-N 3.2Å
372	L	86.8	Confident	85.3	Confident	55 Å²	55	62.8 Å²	62.8	29%	0.288	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.8	173.1	-70.5	-178.9	0	0	0	110.2	K390 A392	L372-K390 HydrophobicContact CB-CB 4.46Å; L372-K390 HydrophobicContact CB-CD 4.32Å; L372-K390 HydrophobicContact CD1-CD 4.19Å; L372-A392 HydrophobicContact CD2-CB 3.96Å
373	I	86.2	Confident	84.4	Confident	14 Å²	14	67 Å²	67	7%	0.072	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.9	-177.6	-51.4	-57.2	0	0	0	109.7	V303 E305 F323 D371 T375 K390 Q391 V393	V303-I373 HydrophobicContact CG1-CB 3.97Å; V303-I373 HydrophobicContact CG1-CG2 3.95Å; E305-I373 HydrophobicContact CB-CG2 3.87Å; E305-I373 HydrophobicContact CG-CG2 4.05Å; F323-I373 HydrophobicContact CB-CG1 4.49Å; F323-I373 HydrophobicContact CD1-CD1 3.76Å; F323-I373 HydrophobicContact CD1-CG1 4.1Å; F323-I373 HydrophobicContact CD2-CG1 4.47Å; F323-I373 HydrophobicContact CD2-CG2 4.09Å; F323-I373 HydrophobicContact CE1-CD1 3.69Å; F323-I373 HydrophobicContact CE1-CG1 4.48Å; F323-I373 HydrophobicContact CE2-CG2 4.23Å; F323-I373 HydrophobicContact CG-CD1 4.2Å; F323-I373 HydrophobicContact CG-CG1 4.1Å; F323-I373 HydrophobicContact CZ-CD1 4.1Å; D371-I373 HydrophobicContact CB-CD1 4.2Å; I373-T375 PolarHBondContact O-N 3.44Å; I373-K390 CarbonylContact O-C 3.47Å; I373-K390 WeakPolarHBondContact O-CA 3.16Å; I373-Q391 PolarHBondContact N-O 3.31Å; I373-Q391 PolarHBondContact O-N 3.45Å; I373-V393 HydrophobicContact CG1-CB 4.5Å; I373-V393 HydrophobicContact CG1-CG2 3.93Å
374	E	88.9	Confident	83.6	Confident	67 Å²	67	64.3 Å²	64.3	31%	0.313	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123	170.5	-70.6	-67.5	167.1	0	0	109.6	E305 Y306 L388 K390	E305-E374 CarbonylContact C-O 3.59Å; E305-E374 WeakPolarHBondContact CA-O 3.27Å; Y306-E374 PolarHBondContact N-O 2.76Å; Y306-E374 WeakPolarHBondContact O-CB 3.28Å; E374-L388 HydrophobicContact CB-CD1 4.21Å; E374-L388 VanDerWaalsContact OE2-CB 3.24Å; E374-L388 WeakPolarHBondContact OE2-CB 3.49Å; E374-K390 HydrophobicContact CG-CG 4.49Å; E374-K390 WeakPolarHBondContact OE1-CE 3.23Å; E374-K390 WeakPolarHBondContact OE1-CG 3.43Å
375	T	86.2	Confident	83.1	Confident	8 Å²	8	63.3 Å²	63.3	5%	0.049	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	-175.3	-179.4	-165.3	0	0	0	0	110.9	V303 F304 I373 L388 V389 Q391	V303-T375 HydrophobicContact CG1-CG2 4.2Å; F304-T375 WeakPolarHBondContact O-CB 3.48Å; F304-T375 PolarHBondContact O-OG1 2.85Å; I373-T375 PolarHBondContact O-N 3.44Å; T375-L388 CarbonylContact O-C 3.59Å; T375-L388 VanDerWaalsContact O-CA 3.28Å; T375-L388 WeakPolarHBondContact O-CA 3.42Å; T375-V389 HydrophobicContact CG2-CG2 4.07Å; T375-V389 WeakPolarHBondContact CG2-O 3.18Å; T375-V389 PolarHBondContact N-O 2.8Å; T375-V389 PolarHBondContact O-N 3.37Å; T375-Q391 HydrophobicContact CG2-CB 3.86Å; T375-Q391 HydrophobicContact CG2-CG 3.42Å; T375-Q391 VanDerWaalsContact CG2-CG 3.42Å
376	V	81.9	Confident	82.7	Confident	6 Å²	6	67.3 Å²	67.3	4%	0.036	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.9	179.2	-64.5	0	0	0	0	111.1	Y306 A315 R383 L385 L388	Y306-V376 HydrophobicContact CD1-CG1 3.57Å; Y306-V376 HydrophobicContact CD2-CG1 3.95Å; Y306-V376 HydrophobicContact CD2-CG2 4.14Å; Y306-V376 HydrophobicContact CE1-CG1 3.9Å; Y306-V376 HydrophobicContact CE1-CG2 4.14Å; Y306-V376 HydrophobicContact CE2-CG1 4.25Å; Y306-V376 HydrophobicContact CE2-CG2 3.68Å; Y306-V376 HydrophobicContact CG-CG1 3.62Å; A315-V376 HydrophobicContact CB-CG1 3.46Å; A315-V376 VanDerWaalsContact CB-CG1 3.46Å; V376-R383 HydrophobicContact CG2-CB 4.21Å; V376-R383 HydrophobicContact CG2-CG 4.31Å; V376-L385 HydrophobicContact CB-CD2 4.19Å; V376-L385 HydrophobicContact CG1-CD2 3.72Å; V376-L385 HydrophobicContact CG2-CD2 4.21Å; V376-L388 HydrophobicContact CG1-CD2 4.39Å
377	G	76.4	Confident	82.1	Confident	7 Å²	7	67.8 Å²	67.8	7%	0.072	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-177	171.5	0	0	0	0	0	111.5	D384	G377-D384 PolarHBondContact O-N 3.33Å
378	F	68.5	Low	81.7	Confident	105 Å²	105	70.1 Å²	70.1	46%	0.461	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.2	164.9	-62	-123.5	0	0	0	109.2	Y242 Q382 R383	Y242-F378 AromaticContact CZ-CD2 3.98Å; Y242-F378 WeakPolarHBondContact OH-CB 3.42Å; Y242-F378 WeakPolarHBondContact OH-CD2 3.26Å; Y242-F378 WeakPolarHBondContact OH-CG 3.32Å; Y242-F378 PolarHBondContact OH-N 2.85Å; F378-Q382 CarbonylContact C-O 3.59Å; F378-Q382 WeakPolarHBondContact CA-O 3.41Å; F378-Q382 VanDerWaalsContact CB-O 3.31Å; F378-Q382 WeakPolarHBondContact CB-O 3.47Å; F378-R383 HydrophobicContact CD1-CG 4.31Å; F378-R383 HydrophobicContact CE1-CG 3.88Å; F378-R383 HydrophobicContact CZ-CG 4.04Å
379	T	71	Confident	81.2	Confident	62 Å²	62	68.8 Å²	68.8	38%	0.38	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.4	172.6	-59.6	0	0	0	0	106.4	N381 Q382 D384	T379-N381 VanDerWaalsContact C-N 3.28Å; T379-N381 PolarHBondContact O-N 2.94Å; T379-Q382 PolarHBondContact N-O 2.88Å; T379-Q382 PolarHBondContact O-N 3.39Å; T379-D384 PolarHBondContact OG1-OD2 3.01Å; T379-D384 VanDerWaalsContact OG1-OD2 3.12Å
380	N	69.7	Low	80.8	Confident	151 Å²	151	68 Å²	68	81%	0.807	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	43.9	-178.6	-59.4	-20.7	0	0	0	113.9	Q382	N380-Q382 PolarHBondContact O-N 3.21Å; N380-Q382 VanDerWaalsContact O-N 3.13Å
381	N	66.9	Low	80.5	Confident	116 Å²	116	65.7 Å²	65.7	62%	0.62	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	6.5	-177.1	-59.7	-40.2	0	0	0	116.4	N271 T379	N271-N381 PolarHBondContact ND2-OD1 3.41Å; T379-N381 VanDerWaalsContact C-N 3.28Å; T379-N381 PolarHBondContact O-N 2.94Å
382	Q	73.2	Confident	80.3	Confident	148 Å²	148	63.6 Å²	63.6	69%	0.692	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.7	173.7	-63.6	-167.9	-12.9	0	0	110.8	F378 T379 N380 D384	F378-Q382 CarbonylContact C-O 3.59Å; F378-Q382 WeakPolarHBondContact CA-O 3.41Å; F378-Q382 VanDerWaalsContact CB-O 3.31Å; F378-Q382 WeakPolarHBondContact CB-O 3.47Å; T379-Q382 PolarHBondContact N-O 2.88Å; T379-Q382 PolarHBondContact O-N 3.39Å; N380-Q382 PolarHBondContact O-N 3.21Å; N380-Q382 VanDerWaalsContact O-N 3.13Å; Q382-D384 PolarHBondContact O-N 3.17Å
383	R	77.2	Confident	80.2	Confident	143 Å²	143	61.6 Å²	61.6	54%	0.54	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	125.4	174	-65.5	-176.8	-166	174.7	7	108.8	Y306 V376 F378 L385	Y306-R383 PolarHBondContact OH-NH1 2.81Å; V376-R383 HydrophobicContact CG2-CB 4.21Å; V376-R383 HydrophobicContact CG2-CG 4.31Å; F378-R383 HydrophobicContact CD1-CG 4.31Å; F378-R383 HydrophobicContact CE1-CG 3.88Å; F378-R383 HydrophobicContact CZ-CG 4.04Å; R383-L385 HydrophobicContact CB-CD2 4.12Å; R383-L385 PolarHBondContact O-N 3.5Å
384	D	81.4	Confident	80.3	Confident	23 Å²	23	61.6 Å²	61.6	12%	0.123	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	95.2	174.9	-175.4	-3.5	0	0	0	108.9	G377 T379 Q382 S386 K387	G377-D384 PolarHBondContact O-N 3.33Å; T379-D384 PolarHBondContact OG1-OD2 3.01Å; T379-D384 VanDerWaalsContact OG1-OD2 3.12Å; Q382-D384 PolarHBondContact O-N 3.17Å; D384-S386 PolarHBondContact O-N 3.42Å; D384-S386 WeakPolarHBondContact OD1-CB 3.5Å; D384-S386 PolarHBondContact OD1-N 3.32Å; D384-S386 VanDerWaalsContact OD1-N 3.09Å; D384-S386 PolarHBondContact OD1-OG 3.24Å; D384-K387 VanDerWaalsContact OD2-CE 3.23Å; D384-K387 WeakPolarHBondContact OD2-CE 3.42Å; D384-K387 IonicContact OD2-NZ 3.59Å; D384-K387 PolarHBondContact OD2-NZ 2.94Å
385	L	87.1	Confident	80.5	Confident	67 Å²	67	59.8 Å²	59.8	35%	0.351	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-1.1	-180	-54.6	-178.5	0	0	0	113.1	Y306 I314 A315 V376 R383 K387	Y306-L385 HydrophobicContact CE1-CD2 4.16Å; I314-L385 HydrophobicContact CG2-CB 3.9Å; I314-L385 HydrophobicContact CG2-CD1 4.14Å; A315-L385 HydrophobicContact CB-CB 4.3Å; A315-L385 HydrophobicContact CB-CD2 4.44Å; A315-L385 WeakPolarHBondContact CB-O 3.19Å; A315-L385 PolarHBondContact N-O 2.96Å; V376-L385 HydrophobicContact CB-CD2 4.19Å; V376-L385 HydrophobicContact CG1-CD2 3.72Å; V376-L385 HydrophobicContact CG2-CD2 4.21Å; R383-L385 HydrophobicContact CB-CD2 4.12Å; R383-L385 PolarHBondContact O-N 3.5Å; L385-K387 VanDerWaalsContact C-N 3.27Å; L385-K387 PolarHBondContact O-N 3.49Å
386	S	85.4	Confident	80.9	Confident	83 Å²	83	59.7 Å²	59.7	58%	0.58	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	-13.6	-179.3	73.3	0	0	0	0	113.3	D384	D384-S386 PolarHBondContact O-N 3.42Å; D384-S386 WeakPolarHBondContact OD1-CB 3.5Å; D384-S386 PolarHBondContact OD1-N 3.32Å; D384-S386 VanDerWaalsContact OD1-N 3.09Å; D384-S386 PolarHBondContact OD1-OG 3.24Å
387	K	83.2	Confident	81.6	Confident	101 Å²	101	61.3 Å²	61.3	44%	0.439	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	149.6	-177.7	69.1	-168.8	-172.5	-126.1	0	111.5	D384 L385	D384-K387 VanDerWaalsContact OD2-CE 3.23Å; D384-K387 WeakPolarHBondContact OD2-CE 3.42Å; D384-K387 IonicContact OD2-NZ 3.59Å; D384-K387 PolarHBondContact OD2-NZ 2.94Å; L385-K387 VanDerWaalsContact C-N 3.27Å; L385-K387 PolarHBondContact O-N 3.49Å
388	L	84.8	Confident	82.6	Confident	48 Å²	48	64.3 Å²	64.3	25%	0.251	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	150.3	167.8	-57.8	174.8	0	0	0	110.5	M308 A315 E374 T375 V376	M308-L388 HydrophobicContact CG-CD1 3.73Å; M308-L388 HydrophobicContact CG-CG 3.82Å; M308-L388 HydrophobicContact SD-CD1 4.33Å; M308-L388 HydrophobicContact SD-CD2 4.19Å; M308-L388 HydrophobicContact SD-CG 3.78Å; A315-L388 HydrophobicContact CB-CD2 3.69Å; E374-L388 HydrophobicContact CB-CD1 4.21Å; E374-L388 VanDerWaalsContact OE2-CB 3.24Å; E374-L388 WeakPolarHBondContact OE2-CB 3.49Å; T375-L388 CarbonylContact O-C 3.59Å; T375-L388 VanDerWaalsContact O-CA 3.28Å; T375-L388 WeakPolarHBondContact O-CA 3.42Å; V376-L388 HydrophobicContact CG1-CD2 4.39Å
389	V	83.1	Confident	83.8	Confident	31 Å²	31	60.7 Å²	60.7	19%	0.188	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.9	168.9	-60.9	0	0	0	0	107.6	T375	T375-V389 HydrophobicContact CG2-CG2 4.07Å; T375-V389 WeakPolarHBondContact CG2-O 3.18Å; T375-V389 PolarHBondContact N-O 2.8Å; T375-V389 PolarHBondContact O-N 3.37Å
390	K	83.9	Confident	84.4	Confident	77 Å²	77	65.4 Å²	65.4	34%	0.335	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.7	169.7	-57	179.1	179.4	-172.1	0	109.6	R174 L372 I373 E374	R174-K390 PolarHBondContact NH2-O 3.4Å; L372-K390 HydrophobicContact CB-CB 4.46Å; L372-K390 HydrophobicContact CB-CD 4.32Å; L372-K390 HydrophobicContact CD1-CD 4.19Å; I373-K390 CarbonylContact O-C 3.47Å; I373-K390 WeakPolarHBondContact O-CA 3.16Å; E374-K390 HydrophobicContact CG-CG 4.49Å; E374-K390 WeakPolarHBondContact OE1-CE 3.23Å; E374-K390 WeakPolarHBondContact OE1-CG 3.43Å
391	Q	80.9	Confident	85.1	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.056	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.7	168	-72	-174.3	10.4	0	0	109.9	V303 I373 T375	V303-Q391 HydrophobicContact CG1-CB 4.3Å; V303-Q391 HydrophobicContact CG2-CB 4.42Å; I373-Q391 PolarHBondContact N-O 3.31Å; I373-Q391 PolarHBondContact O-N 3.45Å; T375-Q391 HydrophobicContact CG2-CB 3.86Å; T375-Q391 HydrophobicContact CG2-CG 3.42Å; T375-Q391 VanDerWaalsContact CG2-CG 3.42Å
392	A	82.6	Confident	86.1	Confident	12 Å²	12	58.3 Å²	58.3	10%	0.099	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.7	177.3	0	0	0	0	0	111.4	R370 D371 L372 M394	R370-A392 HydrophobicContact CG-CB 4.18Å; D371-A392 CarbonylContact O-C 3.53Å; D371-A392 WeakPolarHBondContact O-CA 3.16Å; L372-A392 HydrophobicContact CD2-CB 3.96Å; A392-M394 HydrophobicContact CB-CE 3.71Å
393	V	86.4	Confident	86.8	Confident	12 Å²	12	53.3 Å²	53.3	7%	0.073	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.6	164	-178.6	0	0	0	0	107.2	V303 F323 M324 D371 I373	V303-V393 HydrophobicContact CB-CG2 3.72Å; V303-V393 HydrophobicContact CG1-CG2 4.34Å; V303-V393 HydrophobicContact CG2-CG2 3.59Å; F323-V393 HydrophobicContact CB-CG1 4.39Å; F323-V393 HydrophobicContact CB-CG2 3.87Å; M324-V393 WeakPolarHBondContact O-CG1 3.45Å; D371-V393 PolarHBondContact N-O 3.06Å; D371-V393 PolarHBondContact O-N 3.2Å; I373-V393 HydrophobicContact CG1-CB 4.5Å; I373-V393 HydrophobicContact CG1-CG2 3.93Å
394	M	87.8	Confident	87.4	Confident	15 Å²	15	48 Å²	48	7%	0.074	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.5	-169.9	-68.3	165.7	-164.2	0	0	111.5	F248 P325 K326 I367 K369 R370 A392 F396	F248-M394 HydrophobicContact CB-CE 3.53Å; F248-M394 HydrophobicContact CB-SD 3.8Å; F248-M394 HydrophobicContact CD2-CE 4.05Å; F248-M394 HydrophobicContact CD2-SD 4.11Å; F248-M394 HydrophobicContact CG-CE 4.26Å; F248-M394 HydrophobicContact CG-SD 4.23Å; P325-M394 WeakPolarHBondContact CA-O 3.46Å; K326-M394 PolarHBondContact N-O 3.31Å; I367-M394 HydrophobicContact CD1-SD 3.96Å; I367-M394 HydrophobicContact CG2-CB 4.21Å; I367-M394 HydrophobicContact CG2-CG 4.12Å; I367-M394 HydrophobicContact CG2-SD 4.35Å; K369-M394 CarbonylContact O-C 3.56Å; K369-M394 VanDerWaalsContact O-CA 3.25Å; K369-M394 WeakPolarHBondContact O-CA 3.35Å; R370-M394 HydrophobicContact CG-CE 4.47Å; R370-M394 HydrophobicContact CG-CG 4.34Å; A392-M394 HydrophobicContact CB-CE 3.71Å; M394-F396 HydrophobicContact CB-CD2 4.12Å; M394-F396 HydrophobicContact CB-CE1 4.18Å; M394-F396 HydrophobicContact CB-CE2 3.45Å; M394-F396 VanDerWaalsContact CB-CE2 3.45Å; M394-F396 HydrophobicContact CB-CZ 3.48Å; M394-F396 VanDerWaalsContact CB-CZ 3.48Å; M394-F396 HydrophobicContact CG-CZ 4.21Å; M394-F396 HydrophobicContact SD-CE1 4.17Å; M394-F396 HydrophobicContact SD-CZ 3.72Å
395	T	92.8	Very high	87.7	Confident	28 Å²	28	49.6 Å²	49.6	17%	0.172	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.7	163.1	-56.3	0	0	0	0	108.8	K326 I367 T368 K369	K326-T395 HydrophobicContact CB-CG2 4.48Å; K326-T395 CarbonylContact O-C 3.46Å; K326-T395 VanDerWaalsContact O-CA 3.29Å; K326-T395 WeakPolarHBondContact O-CA 3.41Å; I367-T395 WeakPolarHBondContact CA-O 3.48Å; T368-T395 PolarHBondContact N-O 2.8Å; T368-T395 WeakPolarHBondContact OG1-CB 3.47Å; T368-T395 VanDerWaalsContact OG1-CG2 3.24Å; T368-T395 WeakPolarHBondContact OG1-CG2 3.49Å; T368-T395 PolarHBondContact OG1-O 2.88Å; K369-T395 PolarHBondContact O-N 3.4Å
396	F	94.1	Very high	87.8	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.4	-178.7	-59.1	-89.4	0	0	0	109.7	I254 F299 P325 K326 G327 T328 A329 V330 V365 I367 M394	I254-F396 HydrophobicContact CD1-CD1 4.48Å; I254-F396 HydrophobicContact CD1-CE1 4.19Å; F299-F396 HydrophobicContact CD1-CD2 4.05Å; F299-F396 HydrophobicContact CD1-CE2 4.08Å; F299-F396 HydrophobicContact CD1-CG 4.32Å; F299-F396 HydrophobicContact CD1-CZ 4.41Å; F299-F396 HydrophobicContact CE1-CB 4.12Å; F299-F396 AromaticContact CE1-CD1 3.69Å; F299-F396 HydrophobicContact CE1-CD1 3.69Å; F299-F396 AromaticContact CE1-CD2 3.8Å; F299-F396 HydrophobicContact CE1-CD2 3.8Å; F299-F396 AromaticContact CE1-CE1 3.96Å; F299-F396 HydrophobicContact CE1-CE1 3.96Å; F299-F396 HydrophobicContact CE1-CE2 4.04Å; F299-F396 AromaticContact CE1-CG 3.61Å; F299-F396 HydrophobicContact CE1-CG 3.61Å; F299-F396 HydrophobicContact CE1-CZ 4.12Å; F299-F396 HydrophobicContact CZ-CB 4.03Å; F299-F396 HydrophobicContact CZ-CD1 4.21Å; F299-F396 HydrophobicContact CZ-CG 4.03Å; P325-F396 HydrophobicContact CB-CD2 4.26Å; P325-F396 HydrophobicContact CB-CE2 4.1Å; K326-F396 PolarHBondContact O-N 3.34Å; G327-F396 CarbonylContact C-O 3.56Å; G327-F396 VanDerWaalsContact CA-O 3.29Å; G327-F396 WeakPolarHBondContact CA-O 3.33Å; T328-F396 PolarHBondContact N-O 3.07Å; A329-F396 HydrophobicContact CB-CB 4.22Å; A329-F396 WeakPolarHBondContact CB-O 3.25Å; A329-F396 PolarHBondContact N-O 3.28Å; A329-F396 VanDerWaalsContact N-O 3.08Å; V330-F396 HydrophobicContact CG2-CB 4.01Å; V330-F396 HydrophobicContact CG2-CD2 3.77Å; V330-F396 HydrophobicContact CG2-CG 4.33Å; V365-F396 HydrophobicContact CG1-CB 3.64Å; V365-F396 HydrophobicContact CG1-CD1 4.05Å; V365-F396 HydrophobicContact CG1-CG 4.33Å; I367-F396 HydrophobicContact CD1-CD1 4.5Å; I367-F396 HydrophobicContact CD1-CE1 3.94Å; I367-F396 HydrophobicContact CG1-CD1 3.87Å; I367-F396 HydrophobicContact CG1-CE1 3.81Å; M394-F396 HydrophobicContact CB-CD2 4.12Å; M394-F396 HydrophobicContact CB-CE1 4.18Å; M394-F396 HydrophobicContact CB-CE2 3.45Å; M394-F396 VanDerWaalsContact CB-CE2 3.45Å; M394-F396 HydrophobicContact CB-CZ 3.48Å; M394-F396 VanDerWaalsContact CB-CZ 3.48Å; M394-F396 HydrophobicContact CG-CZ 4.21Å; M394-F396 HydrophobicContact SD-CE1 4.17Å; M394-F396 HydrophobicContact SD-CZ 3.72Å
397	D	97.1	Very high	87.9	Confident	39 Å²	39	45.9 Å²	45.9	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.3	178.6	-68.5	-57.8	0	0	0	111.4	G327 T328 V365 K366 T368 A399	G327-D397 WeakPolarHBondContact CA-OD1 3.28Å; T328-D397 PolarHBondContact N-OD1 3.2Å; T328-D397 VanDerWaalsContact OG1-CA 3.29Å; T328-D397 WeakPolarHBondContact OG1-CA 3.27Å; T328-D397 PolarHBondContact OG1-OD1 2.89Å; V365-D397 CarbonylContact C-O 3.46Å; V365-D397 WeakPolarHBondContact CA-O 3.36Å; K366-D397 PolarHBondContact N-O 2.85Å; K366-D397 PolarHBondContact O-N 3.3Å; T368-D397 WeakPolarHBondContact CB-OD2 3.3Å; T368-D397 HydrophobicContact CG2-CB 3.8Å; T368-D397 VanDerWaalsContact CG2-OD2 3.31Å; T368-D397 WeakPolarHBondContact CG2-OD2 3.36Å; T368-D397 PolarHBondContact OG1-OD2 3.02Å; D397-A399 PolarHBondContact O-N 2.94Å
398	F	97.9	Very high	88.3	Confident	70 Å²	70	41.7 Å²	41.7	31%	0.307	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	132.1	171.1	-67.4	-58	0	0	0	110.3	T328 A329 A332 L360 K363 K364 V365	T328-F398 WeakPolarHBondContact O-CE2 3.46Å; T328-F398 PolarHBondContact OG1-N 3.01Å; A329-F398 HydrophobicContact CB-CD1 4.09Å; A329-F398 HydrophobicContact CB-CE1 3.82Å; A329-F398 HydrophobicContact CB-CE2 4.44Å; A329-F398 HydrophobicContact CB-CG 4.49Å; A329-F398 HydrophobicContact CB-CZ 4.03Å; A332-F398 HydrophobicContact CB-CE2 3.68Å; A332-F398 HydrophobicContact CB-CZ 3.63Å; L360-F398 HydrophobicContact CD2-CE1 3.99Å; L360-F398 HydrophobicContact CD2-CZ 4.17Å; K363-F398 HydrophobicContact CB-CD1 4.05Å; K363-F398 HydrophobicContact CB-CE1 4.02Å; K363-F398 HydrophobicContact CD-CD1 3.79Å; K363-F398 HydrophobicContact CD-CE1 3.27Å; K363-F398 HydrophobicContact CD-CZ 3.72Å; K363-F398 HydrophobicContact CG-CE1 4.28Å; K364-F398 WeakPolarHBondContact O-CA 3.19Å; V365-F398 HydrophobicContact CG2-CD1 4.16Å; V365-F398 HydrophobicContact CG2-CE1 4.23Å
399	A	93.9	Very high	88.6	Confident	29 Å²	29	41.2 Å²	41.2	24%	0.24	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	152.2	168.9	0	0	0	0	0	109.7	K364 K366 D397	K364-A399 HydrophobicContact CB-CB 3.92Å; K364-A399 PolarHBondContact O-N 3.45Å; K366-A399 HydrophobicContact CB-CB 4.08Å; D397-A399 PolarHBondContact O-N 2.94Å
400	A	82.9	Confident	89.1	Confident	162 Å²	162	42.1 Å²	42.1	100%	1.339	27%	0.267	S	S	*	.			trans	-64	0	173.1	0	0	0	0	0	112.4

Retrieved 400 of 400 residues in 434.5 ms (Link to these results)

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