A0A077Z7L6_TRITR Loading...

THO complex subunit 6 protein

AlphaFold DB , UniProt , Accession A0A077Z7L6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 358 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	25.7	Very low	33.4	Very low	245 Å²	245	100.1 Å²	100.1	100%	1.207	54%	0.537	S	S	*	.				0	120.4	0	-129.6	179.3	-92	0	0	107.1	A3	M1-A3 PolarHBondContact O-N 2.96Å
2	V	24	Very low	35.4	Very low	140 Å²	140	93.7 Å²	93.7	85%	0.848	50%	0.503	S	S	*	.			trans	-75.9	115.7	172.5	177.9	0	0	0	0	106.4	S4	V2-S4 PolarHBondContact O-N 3.4Å
3	A	27.9	Very low	37.4	Very low	22 Å²	22	87.5 Å²	87.5	18%	0.182	47%	0.471	C	S	.	.			trans	-53.9	128.7	177.9	0	0	0	0	0	110.3	M1 I7	M1-A3 PolarHBondContact O-N 2.96Å; A3-I7 HydrophobicContact CB-CB 4.15Å; A3-I7 HydrophobicContact CB-CG2 3.65Å
4	S	27.9	Very low	39.5	Very low	66 Å²	66	81.6 Å²	81.6	46%	0.462	44%	0.439	S	S	.	.			trans	-61.7	158.8	179.1	71.4	0	0	0	0	111.1	V2 G6 I7 K8	V2-S4 PolarHBondContact O-N 3.4Å; S4-G6 PolarHBondContact O-N 3.33Å; S4-G6 VanDerWaalsContact O-N 3.12Å; S4-I7 WeakPolarHBondContact O-CA 3.21Å; S4-I7 WeakPolarHBondContact O-CB 3.39Å; S4-I7 PolarHBondContact O-N 2.74Å; S4-I7 WeakPolarHBondContact OG-CD1 3.13Å; S4-I7 WeakPolarHBondContact OG-CG1 3.5Å; S4-K8 PolarHBondContact O-N 2.89Å
5	A	33.9	Very low	41.7	Very low	85 Å²	85	78.3 Å²	78.3	70%	0.702	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24	179.6	0	0	0	0	0	113.6
6	G	37.1	Very low	43.9	Very low	46 Å²	46	73.5 Å²	73.5	47%	0.474	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-38.9	172.1	0	0	0	0	0	112.4	S4 R9	S4-G6 PolarHBondContact O-N 3.33Å; S4-G6 VanDerWaalsContact O-N 3.12Å; G6-R9 PolarHBondContact O-N 3.41Å
7	I	35.7	Very low	46.1	Very low	49 Å²	49	69.2 Å²	69.2	25%	0.251	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-72.2	-32.4	178.5	-68.9	172.2	0	0	0	111.4	A3 S4 R9 Y10 I325	A3-I7 HydrophobicContact CB-CB 4.15Å; A3-I7 HydrophobicContact CB-CG2 3.65Å; S4-I7 WeakPolarHBondContact O-CA 3.21Å; S4-I7 WeakPolarHBondContact O-CB 3.39Å; S4-I7 PolarHBondContact O-N 2.74Å; S4-I7 WeakPolarHBondContact OG-CD1 3.13Å; S4-I7 WeakPolarHBondContact OG-CG1 3.5Å; I7-R9 PolarHBondContact O-N 2.9Å; I7-Y10 PolarHBondContact O-N 3.21Å; I7-I325 HydrophobicContact CD1-CG2 4.23Å; I7-I325 HydrophobicContact CG2-CB 4.09Å; I7-I325 HydrophobicContact CG2-CD1 3.18Å; I7-I325 HydrophobicContact CG2-CG1 3.47Å; I7-I325 VanDerWaalsContact CG2-CG1 3.47Å; I7-I325 HydrophobicContact CG2-CG2 3.43Å; I7-I325 VanDerWaalsContact CG2-CG2 3.43Å
8	K	33.3	Very low	48.1	Very low	133 Å²	133	65.8 Å²	65.8	58%	0.578	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-57.5	-21	174.4	-88.8	177.7	179.8	-166	0	114.5	S4 Y10 Y11	S4-K8 PolarHBondContact O-N 2.89Å; K8-Y10 PolarHBondContact O-N 3.19Å; K8-Y11 HydrophobicContact CB-CD2 4.19Å; K8-Y11 HydrophobicContact CB-CE2 4.2Å; K8-Y11 HydrophobicContact CG-CD2 3.98Å; K8-Y11 HydrophobicContact CG-CE2 3.56Å; K8-Y11 WeakPolarHBondContact O-CD2 3.36Å
9	R	37	Very low	49.9	Very low	198 Å²	198	63.3 Å²	63.3	75%	0.747	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-71.8	-13.4	176.6	-77.6	-177.7	168.6	175.7	-2.5	114	G6 I7	G6-R9 PolarHBondContact O-N 3.41Å; I7-R9 PolarHBondContact O-N 2.9Å
10	Y	44.3	Very low	51.4	Low	37 Å²	37	60.5 Å²	60.5	15%	0.145	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-112.3	15.8	-176.3	-59	-78	0	0	0	112.7	I7 K8 N12 E56 K59	I7-Y10 PolarHBondContact O-N 3.21Å; K8-Y10 PolarHBondContact O-N 3.19Å; Y10-N12 PolarHBondContact O-N 2.96Å; Y10-E56 PolarHBondContact OH-OE1 3.15Å; Y10-K59 PolarHBondContact OH-NZ 3.08Å
11	Y	41.1	Very low	52.4	Low	80 Å²	80	60.3 Å²	60.3	31%	0.314	33%	0.331	S	S	.	.			trans	-69.3	80.4	165	-78.3	-70.9	0	0	0	109.4	K8 I325 S352 T354	K8-Y11 HydrophobicContact CB-CD2 4.19Å; K8-Y11 HydrophobicContact CB-CE2 4.2Å; K8-Y11 HydrophobicContact CG-CD2 3.98Å; K8-Y11 HydrophobicContact CG-CE2 3.56Å; K8-Y11 WeakPolarHBondContact O-CD2 3.36Å; Y11-I325 HydrophobicContact CE1-CD1 4.26Å; Y11-S352 WeakPolarHBondContact CD1-OG 3.44Å; Y11-T354 WeakPolarHBondContact CD1-OG1 3.41Å; Y11-T354 HydrophobicContact CE1-CG2 4.39Å
12	N	56.7	Low	54.7	Low	23 Å²	23	53.7 Å²	53.7	12%	0.123	30%	0.3	C	S	.	.			trans	-124.1	153	-177.6	-63.9	-30.6	0	0	0	111.1	Y10 T14 N30 Y32 E324	Y10-N12 PolarHBondContact O-N 2.96Å; N12-T14 PolarHBondContact O-N 3.13Å; N12-N30 HydrophobicContact CB-CB 4.48Å; N12-Y32 VanDerWaalsContact OD1-CE2 3.3Å; N12-Y32 WeakPolarHBondContact OD1-CE2 3.43Å; N12-E324 PolarHBondContact N-OE2 3.41Å
13	T	61.5	Low	57.1	Low	14 Å²	14	48.2 Å²	48.2	9%	0.086	27%	0.27	C	S	.	.			trans	-81.1	112.1	174	-49.3	0	0	0	0	107.6	F15 N30 R31 I351	T13-F15 HydrophobicContact CG2-CD1 4.06Å; T13-F15 HydrophobicContact CG2-CE1 3.39Å; T13-F15 HydrophobicContact CG2-CE2 3.95Å; T13-F15 HydrophobicContact CG2-CZ 3.33Å; T13-N30 CarbonylContact O-C 2.97Å; T13-N30 WeakPolarHBondContact O-CA 3.41Å; T13-N30 WeakPolarHBondContact O-CB 3.47Å; T13-R31 PolarHBondContact O-N 3.32Å; T13-I351 HydrophobicContact CG2-CB 4.43Å; T13-I351 HydrophobicContact CG2-CD1 3.43Å; T13-I351 VanDerWaalsContact CG2-CD1 3.43Å; T13-I351 HydrophobicContact CG2-CG1 3.51Å; T13-I351 HydrophobicContact CG2-CG2 4.39Å
14	T	67.6	Low	59.5	Low	4 Å²	4	49 Å²	49	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.6	171.3	-53.7	0	0	0	0	107.5	N12 C28 C29 E324 T349 I350	N12-T14 PolarHBondContact O-N 3.13Å; T14-C28 HydrophobicContact CG2-CB 3.79Å; T14-C29 CarbonylContact C-O 3.55Å; T14-C29 WeakPolarHBondContact CA-O 3.18Å; T14-C29 WeakPolarHBondContact CG2-O 3.41Å; T14-E324 PolarHBondContact OG1-OE1 3.41Å; T14-T349 HydrophobicContact CG2-CG2 3.29Å; T14-T349 WeakPolarHBondContact O-CG2 3.19Å; T14-I350 PolarHBondContact N-O 2.81Å; T14-I350 VanDerWaalsContact O-O 3.09Å
15	F	71.6	Confident	62	Low	33 Å²	33	47 Å²	47	15%	0.145	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-31.4	-175.9	-65.4	-69.1	0	0	0	113.3	T13 C29 R31 P66 I67 Y68	T13-F15 HydrophobicContact CG2-CD1 4.06Å; T13-F15 HydrophobicContact CG2-CE1 3.39Å; T13-F15 HydrophobicContact CG2-CE2 3.95Å; T13-F15 HydrophobicContact CG2-CZ 3.33Å; F15-C29 PolarHBondContact N-O 3.22Å; F15-R31 HydrophobicContact CE2-CB 3.67Å; F15-R31 HydrophobicContact CZ-CB 4.24Å; F15-P66 HydrophobicContact CD2-CB 4.39Å; F15-P66 HydrophobicContact CE2-CB 3.85Å; F15-I67 WeakPolarHBondContact CB-O 3.45Å; F15-I67 WeakPolarHBondContact CD2-O 3.44Å; F15-Y68 HydrophobicContact CB-CD1 4.4Å; F15-Y68 AromaticContact CD1-CD1 3.98Å; F15-Y68 HydrophobicContact CD1-CD1 3.98Å; F15-Y68 HydrophobicContact CD1-CE1 4.25Å; F15-Y68 AromaticContact CD2-CD1 3.99Å; F15-Y68 HydrophobicContact CD2-CD1 3.99Å; F15-Y68 HydrophobicContact CD2-CE1 4.22Å; F15-Y68 HydrophobicContact CE1-CD1 4.16Å; F15-Y68 AromaticContact CE1-CE1 3.95Å; F15-Y68 HydrophobicContact CE1-CE1 3.95Å; F15-Y68 HydrophobicContact CE2-CD1 4.15Å; F15-Y68 AromaticContact CE2-CE1 3.9Å; F15-Y68 HydrophobicContact CE2-CE1 3.9Å; F15-Y68 AromaticContact CG-CD1 3.88Å; F15-Y68 HydrophobicContact CG-CD1 3.88Å; F15-Y68 HydrophobicContact CG-CE1 4.37Å; F15-Y68 HydrophobicContact CZ-CD1 4.23Å; F15-Y68 AromaticContact CZ-CE1 3.76Å; F15-Y68 HydrophobicContact CZ-CE1 3.76Å
16	G	76.6	Confident	64.2	Low	1 Å²	1	43.1 Å²	43.1	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.5	176.4	0	0	0	0	0	112.1	C28 C29 L70 D306	G16-C28 WeakPolarHBondContact O-CA 3.15Å; G16-C29 PolarHBondContact N-SG 2.99Å; G16-C29 PolarHBondContact O-N 2.73Å; G16-C29 PolarHBondContact O-SG 2.95Å; G16-L70 WeakPolarHBondContact O-CD1 3.26Å; G16-D306 WeakPolarHBondContact CA-OD2 3.2Å
17	A	81.5	Confident	66.4	Low	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.4	172.5	0	0	0	0	0	109.9	L26 V27 D306 R308 V347 T349	A17-L26 HydrophobicContact CB-CD1 4.17Å; A17-V27 CarbonylContact C-O 3.58Å; A17-V27 VanDerWaalsContact CA-O 3.28Å; A17-V27 WeakPolarHBondContact CA-O 3.17Å; A17-D306 PolarHBondContact N-OD2 3.48Å; A17-R308 WeakPolarHBondContact O-CG 2.97Å; A17-V347 HydrophobicContact CB-CG1 4.04Å; A17-T349 WeakPolarHBondContact CB-OG1 3.49Å
18	V	82.5	Confident	68.5	Low	8 Å²	8	39.1 Å²	39.1	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	141.8	173.1	76	0	0	0	0	112.2	V27 L70 L82 W96	V18-V27 HydrophobicContact CG1-CB 4.37Å; V18-V27 PolarHBondContact N-O 3.01Å; V18-V27 PolarHBondContact O-N 3.47Å; V18-L70 HydrophobicContact CB-CB 4.21Å; V18-L70 HydrophobicContact CG1-CB 4.14Å; V18-L70 HydrophobicContact CG1-CD1 4.28Å; V18-L82 HydrophobicContact CG1-CD1 3.99Å; V18-W96 HydrophobicContact CG1-CH2 4.38Å; V18-W96 HydrophobicContact CG1-CZ2 4Å
19	F	81.8	Confident	70.6	Confident	19 Å²	19	32.8 Å²	32.8	8%	0.083	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	150.4	172.4	-70.1	-79.6	0	0	0	111.7	H25 L26 V40 S72 W96 A310 V347	F19-H25 CarbonylContact C-O 3.44Å; F19-H25 WeakPolarHBondContact CA-O 3.22Å; F19-L26 HydrophobicContact CD1-CB 4.35Å; F19-L26 HydrophobicContact CD1-CD1 4.05Å; F19-L26 HydrophobicContact CD2-CD1 4.45Å; F19-L26 HydrophobicContact CE1-CB 4.36Å; F19-L26 HydrophobicContact CE1-CD1 4.01Å; F19-L26 HydrophobicContact CE2-CD1 4.42Å; F19-L26 HydrophobicContact CG-CD1 4.3Å; F19-L26 HydrophobicContact CZ-CD1 4.23Å; F19-V40 HydrophobicContact CE1-CG2 4.47Å; F19-S72 VanDerWaalsContact O-CB 3.3Å; F19-S72 WeakPolarHBondContact O-CB 3.26Å; F19-S72 PolarHBondContact O-OG 3.04Å; F19-S72 VanDerWaalsContact O-OG 3.1Å; F19-W96 WeakPolarHBondContact O-CZ2 3.31Å; F19-A310 HydrophobicContact CD1-CB 4.4Å; F19-A310 HydrophobicContact CD2-CB 3.91Å; F19-A310 HydrophobicContact CE1-CB 4.18Å; F19-A310 HydrophobicContact CE2-CB 3.67Å; F19-A310 HydrophobicContact CG-CB 4.24Å; F19-A310 HydrophobicContact CZ-CB 3.78Å; F19-V347 HydrophobicContact CE1-CG2 4.12Å; F19-V347 HydrophobicContact CE2-CB 4.39Å; F19-V347 HydrophobicContact CE2-CG2 3.5Å; F19-V347 HydrophobicContact CZ-CB 4.45Å; F19-V347 HydrophobicContact CZ-CG2 3.19Å
20	S	79.8	Confident	72.4	Confident	7 Å²	7	23.6 Å²	23.6	5%	0.049	13%	0.13	C	C	.	.			trans	-61.4	156.6	159.1	62.3	0	0	0	0	109.9	N22 A23 T24 H25	S20-N22 WeakPolarHBondContact CB-OD1 2.99Å; S20-N22 PolarHBondContact O-N 3.4Å; S20-N22 VanDerWaalsContact O-N 3.11Å; S20-N22 PolarHBondContact OG-OD1 2.99Å; S20-A23 WeakPolarHBondContact O-CA 3.17Å; S20-A23 PolarHBondContact O-N 3.15Å; S20-T24 PolarHBondContact OG-N 3.35Å; S20-T24 PolarHBondContact OG-OG1 3.38Å; S20-H25 PolarHBondContact N-O 3.47Å; S20-H25 PolarHBondContact OG-N 3.44Å; S20-H25 PolarHBondContact OG-O 3.11Å
21	A	73.1	Confident	73.9	Confident	57 Å²	57	27.8 Å²	27.8	47%	0.471	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-31	-177.1	0	0	0	0	0	113.5
22	N	74.7	Confident	75.7	Confident	105 Å²	105	29.3 Å²	29.3	56%	0.561	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	10.3	176.3	65.8	-3.4	0	0	0	113.9	S20 T24	S20-N22 WeakPolarHBondContact CB-OD1 2.99Å; S20-N22 PolarHBondContact O-N 3.4Å; S20-N22 VanDerWaalsContact O-N 3.11Å; S20-N22 PolarHBondContact OG-OD1 2.99Å; N22-T24 HydrophobicContact CB-CG2 4.35Å; N22-T24 VanDerWaalsContact CG-OG1 3.24Å; N22-T24 WeakPolarHBondContact ND2-CG2 3.47Å; N22-T24 PolarHBondContact ND2-OG1 2.81Å; N22-T24 PolarHBondContact O-N 3.27Å; N22-T24 PolarHBondContact OD1-N 3.21Å; N22-T24 PolarHBondContact OD1-OG1 2.64Å
23	A	73.3	Confident	76.8	Confident	26 Å²	26	28.2 Å²	28.2	22%	0.215	15%	0.146	C	C	.	.	S	Bend	trans	55.3	10.7	-177.6	0	0	0	0	0	116.8	S20 H25 A310	S20-A23 WeakPolarHBondContact O-CA 3.17Å; S20-A23 PolarHBondContact O-N 3.15Å; A23-H25 VanDerWaalsContact C-N 3.34Å; A23-A310 HydrophobicContact CB-CB 4.31Å
24	T	78	Confident	77.8	Confident	39 Å²	39	31.5 Å²	31.5	24%	0.239	16%	0.158	C	C	.	.	S	Bend	trans	-74.2	-24.1	179.4	58.5	0	0	0	0	113.7	S20 N22 V40	S20-T24 PolarHBondContact OG-N 3.35Å; S20-T24 PolarHBondContact OG-OG1 3.38Å; N22-T24 HydrophobicContact CB-CG2 4.35Å; N22-T24 VanDerWaalsContact CG-OG1 3.24Å; N22-T24 WeakPolarHBondContact ND2-CG2 3.47Å; N22-T24 PolarHBondContact ND2-OG1 2.81Å; N22-T24 PolarHBondContact O-N 3.27Å; N22-T24 PolarHBondContact OD1-N 3.21Å; N22-T24 PolarHBondContact OD1-OG1 2.64Å; T24-V40 WeakPolarHBondContact O-CB 3.46Å; T24-V40 PolarHBondContact O-N 3.14Å
25	H	81.3	Confident	78.6	Confident	22 Å²	22	31.3 Å²	31.3	10%	0.102	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.5	-178.1	-66.7	73.9	0	0	0	110.6	F19 S20 A23 F38 W96	F19-H25 CarbonylContact C-O 3.44Å; F19-H25 WeakPolarHBondContact CA-O 3.22Å; S20-H25 PolarHBondContact N-O 3.47Å; S20-H25 PolarHBondContact OG-N 3.44Å; S20-H25 PolarHBondContact OG-O 3.11Å; A23-H25 VanDerWaalsContact C-N 3.34Å; H25-F38 CarbonylContact C-O 3.59Å; H25-F38 VanDerWaalsContact CA-O 3.28Å; H25-F38 WeakPolarHBondContact CA-O 3.28Å; H25-W96 HydrophobicContact CB-CZ3 3.96Å
26	L	80.6	Confident	79.2	Confident	4 Å²	4	30 Å²	30	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.5	173.3	176.9	67.6	0	0	0	108.6	A17 F19 F38 V40 V347	A17-L26 HydrophobicContact CB-CD1 4.17Å; F19-L26 HydrophobicContact CD1-CB 4.35Å; F19-L26 HydrophobicContact CD1-CD1 4.05Å; F19-L26 HydrophobicContact CD2-CD1 4.45Å; F19-L26 HydrophobicContact CE1-CB 4.36Å; F19-L26 HydrophobicContact CE1-CD1 4.01Å; F19-L26 HydrophobicContact CE2-CD1 4.42Å; F19-L26 HydrophobicContact CG-CD1 4.3Å; F19-L26 HydrophobicContact CZ-CD1 4.23Å; L26-F38 HydrophobicContact CB-CB 4.34Å; L26-F38 PolarHBondContact N-O 2.86Å; L26-F38 PolarHBondContact O-N 3.23Å; L26-V40 HydrophobicContact CB-CG2 4.13Å; L26-V347 HydrophobicContact CD1-CG2 3.96Å; L26-V347 HydrophobicContact CD2-CG1 4.34Å; L26-V347 HydrophobicContact CD2-CG2 4.01Å
27	V	82.4	Confident	79.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.9	173.1	176.1	0	0	0	0	109.8	A17 V18 L35 L36 V37 L70 L82 W96	A17-V27 CarbonylContact C-O 3.58Å; A17-V27 VanDerWaalsContact CA-O 3.28Å; A17-V27 WeakPolarHBondContact CA-O 3.17Å; V18-V27 HydrophobicContact CG1-CB 4.37Å; V18-V27 PolarHBondContact N-O 3.01Å; V18-V27 PolarHBondContact O-N 3.47Å; V27-L35 HydrophobicContact CG1-CB 4.08Å; V27-L35 HydrophobicContact CG1-CD2 4.2Å; V27-L36 VanDerWaalsContact CA-O 3.3Å; V27-L36 WeakPolarHBondContact CA-O 3.48Å; V27-V37 HydrophobicContact CG2-CB 4.43Å; V27-V37 HydrophobicContact CG2-CG1 4.17Å; V27-V37 HydrophobicContact CG2-CG2 4.11Å; V27-L70 HydrophobicContact CG1-CD1 4.34Å; V27-L70 WeakPolarHBondContact O-CD1 3.35Å; V27-L82 HydrophobicContact CB-CD1 4.28Å; V27-L82 HydrophobicContact CG1-CD1 3.68Å; V27-W96 HydrophobicContact CB-CH2 3.94Å; V27-W96 HydrophobicContact CB-CZ3 4.4Å; V27-W96 HydrophobicContact CG2-CE3 4.44Å; V27-W96 HydrophobicContact CG2-CH2 3.38Å; V27-W96 HydrophobicContact CG2-CZ2 4.48Å; V27-W96 HydrophobicContact CG2-CZ3 3.35Å
28	C	80.5	Confident	79.4	Confident	12 Å²	12	31.5 Å²	31.5	8%	0.081	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.8	177.5	-61.4	0	0	0	0	110.1	T14 G16 L35 L36 F38	T14-C28 HydrophobicContact CG2-CB 3.79Å; G16-C28 WeakPolarHBondContact O-CA 3.15Å; C28-L35 CarbonylContact O-C 3.5Å; C28-L35 WeakPolarHBondContact O-CA 3.21Å; C28-L36 PolarHBondContact N-O 2.95Å; C28-L36 PolarHBondContact O-N 2.97Å; C28-F38 HydrophobicContact CB-CE2 4.24Å
29	C	76.3	Confident	79.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.6	179.8	70	0	0	0	0	113	T14 F15 G16 Y34 L35 I67 L70	T14-C29 CarbonylContact C-O 3.55Å; T14-C29 WeakPolarHBondContact CA-O 3.18Å; T14-C29 WeakPolarHBondContact CG2-O 3.41Å; F15-C29 PolarHBondContact N-O 3.22Å; G16-C29 PolarHBondContact N-SG 2.99Å; G16-C29 PolarHBondContact O-N 2.73Å; G16-C29 PolarHBondContact O-SG 2.95Å; C29-Y34 WeakPolarHBondContact CA-O 3.39Å; C29-L35 HydrophobicContact CB-CD2 3.62Å; C29-I67 HydrophobicContact CB-CB 3.7Å; C29-I67 HydrophobicContact CB-CD1 4.17Å; C29-I67 HydrophobicContact CB-CG2 3.5Å; C29-I67 VanDerWaalsContact CB-CG2 3.5Å; C29-I67 VanDerWaalsContact SG-CG2 3.58Å; C29-I67 PolarHBondContact SG-O 3.31Å; C29-L70 HydrophobicContact CB-CD1 3.78Å; C29-L70 HydrophobicContact CB-CD2 3.71Å; C29-L70 HydrophobicContact CB-CG 3.86Å; C29-L70 VanDerWaalsContact SG-CG 3.53Å
30	N	75.7	Confident	78.7	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	176.2	-174	75.9	19.2	0	0	0	115.2	N12 T13 Y32 G33 Y34 I67	N12-N30 HydrophobicContact CB-CB 4.48Å; T13-N30 CarbonylContact O-C 2.97Å; T13-N30 WeakPolarHBondContact O-CA 3.41Å; T13-N30 WeakPolarHBondContact O-CB 3.47Å; N30-Y32 PolarHBondContact O-N 3.13Å; N30-Y32 VanDerWaalsContact O-N 3.11Å; N30-Y32 PolarHBondContact OD1-N 2.78Å; N30-G33 PolarHBondContact O-N 2.59Å; N30-G33 PolarHBondContact OD1-N 2.91Å; N30-Y34 PolarHBondContact N-O 3.44Å; N30-Y34 VanDerWaalsContact N-O 3.16Å; N30-Y34 PolarHBondContact OD1-N 2.76Å; N30-Y34 VanDerWaalsContact OD1-N 3.13Å; N30-I67 PolarHBondContact O-N 3.02Å
31	R	74.7	Confident	78	Confident	126 Å²	126	37.1 Å²	37.1	48%	0.475	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.5	179.8	73.7	179.8	-62.2	173.1	2.4	117.5	T13 F15 G65 P66	T13-R31 PolarHBondContact O-N 3.32Å; F15-R31 HydrophobicContact CE2-CB 3.67Å; F15-R31 HydrophobicContact CZ-CB 4.24Å; R31-G65 CarbonylContact O-C 3.6Å; R31-P66 HydrophobicContact CB-CB 4.46Å; R31-P66 WeakPolarHBondContact O-CA 3.39Å; R31-P66 WeakPolarHBondContact O-CD 3.26Å; R31-P66 VanDerWaalsContact O-N 3.1Å
32	Y	79.6	Confident	77.4	Confident	112 Å²	112	36.2 Å²	36.2	44%	0.439	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-2.9	-175.6	-61.9	-66.6	0	0	0	113.3	N12 N30 R61 G65	N12-Y32 VanDerWaalsContact OD1-CE2 3.3Å; N12-Y32 WeakPolarHBondContact OD1-CE2 3.43Å; N30-Y32 PolarHBondContact O-N 3.13Å; N30-Y32 VanDerWaalsContact O-N 3.11Å; N30-Y32 PolarHBondContact OD1-N 2.78Å; Y32-R61 PolarHBondContact O-NE 2.98Å; Y32-R61 PolarHBondContact O-NH2 2.57Å; Y32-R61 VanDerWaalsContact O-NH2 3.15Å; Y32-G65 CarbonylContact C-O 3.53Å
33	G	79.9	Confident	76.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	91.3	18.9	178.4	0	0	0	0	0	113.2	N30 R61 V62 G65	N30-G33 PolarHBondContact O-N 2.59Å; N30-G33 PolarHBondContact OD1-N 2.91Å; G33-R61 CarbonylContact O-C 3.04Å; G33-R61 WeakPolarHBondContact O-CA 3.5Å; G33-R61 WeakPolarHBondContact O-CG 3.47Å; G33-V62 PolarHBondContact O-N 2.96Å; G33-G65 WeakPolarHBondContact CA-O 3.28Å; G33-G65 PolarHBondContact N-O 2.78Å
34	Y	82.5	Confident	75.1	Confident	82 Å²	82	32.7 Å²	32.7	32%	0.322	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	149.4	177	-71.1	-92.4	0	0	0	111.2	C29 N30 F60 R61	C29-Y34 WeakPolarHBondContact CA-O 3.39Å; N30-Y34 PolarHBondContact N-O 3.44Å; N30-Y34 VanDerWaalsContact N-O 3.16Å; N30-Y34 PolarHBondContact OD1-N 2.76Å; N30-Y34 VanDerWaalsContact OD1-N 3.13Å; Y34-F60 WeakPolarHBondContact CA-O 3.1Å; Y34-R61 HydrophobicContact CD1-CB 3.95Å; Y34-R61 HydrophobicContact CD1-CG 4.34Å; Y34-R61 HydrophobicContact CD2-CG 4.37Å; Y34-R61 HydrophobicContact CE1-CB 3.69Å; Y34-R61 HydrophobicContact CE1-CG 4.12Å; Y34-R61 HydrophobicContact CE2-CG 4.15Å; Y34-R61 HydrophobicContact CG-CG 4.47Å
35	L	84.8	Confident	73.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.3	166.3	-56.7	165.4	0	0	0	108.2	V27 C28 C29 K59 F60 V62 I67 L70 L82 T84	V27-L35 HydrophobicContact CG1-CB 4.08Å; V27-L35 HydrophobicContact CG1-CD2 4.2Å; C28-L35 CarbonylContact O-C 3.5Å; C28-L35 WeakPolarHBondContact O-CA 3.21Å; C29-L35 HydrophobicContact CB-CD2 3.62Å; L35-K59 WeakPolarHBondContact O-CA 3.08Å; L35-K59 WeakPolarHBondContact O-CB 3.47Å; L35-F60 HydrophobicContact CB-CD1 4.4Å; L35-F60 HydrophobicContact CB-CE1 4.06Å; L35-F60 HydrophobicContact CB-CZ 4.27Å; L35-F60 HydrophobicContact CD1-CD2 4.24Å; L35-F60 HydrophobicContact CD1-CE1 3.84Å; L35-F60 HydrophobicContact CD1-CE2 3.46Å; L35-F60 VanDerWaalsContact CD1-CE2 3.46Å; L35-F60 HydrophobicContact CD1-CZ 3.22Å; L35-F60 HydrophobicContact CG-CZ 4.41Å; L35-F60 PolarHBondContact N-O 3.43Å; L35-F60 PolarHBondContact O-N 3.4Å; L35-V62 HydrophobicContact CD1-CG2 3.27Å; L35-V62 HydrophobicContact CG-CG2 3.81Å; L35-I67 HydrophobicContact CD2-CD1 3.8Å; L35-I67 HydrophobicContact CG-CD1 4.28Å; L35-L70 HydrophobicContact CD2-CD2 4.1Å; L35-L82 HydrophobicContact CD1-CD2 3.06Å; L35-L82 HydrophobicContact CD1-CG 4.32Å; L35-L82 HydrophobicContact CD2-CD2 3.11Å; L35-L82 HydrophobicContact CD2-CG 4.38Å; L35-L82 HydrophobicContact CG-CD2 3.56Å; L35-T84 HydrophobicContact CD2-CG2 4.27Å
36	L	83	Confident	71.4	Confident	5 Å²	5	38 Å²	38	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.4	173.6	-57.8	105.8	0	0	0	107.5	V27 C28 F38 P57	V27-L36 VanDerWaalsContact CA-O 3.3Å; V27-L36 WeakPolarHBondContact CA-O 3.48Å; C28-L36 PolarHBondContact N-O 2.95Å; C28-L36 PolarHBondContact O-N 2.97Å; L36-F38 HydrophobicContact CB-CD2 4.42Å; L36-F38 HydrophobicContact CB-CE2 3.55Å; L36-F38 HydrophobicContact CB-CZ 3.84Å; L36-F38 HydrophobicContact CD2-CZ 4.42Å; L36-P57 HydrophobicContact CD2-CG 4.2Å
37	V	83.7	Confident	69.7	Low	6 Å²	6	41.6 Å²	41.6	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121	-178.2	-170.7	0	0	0	0	107.8	V27 P57 F58 F60 I99	V27-V37 HydrophobicContact CG2-CB 4.43Å; V27-V37 HydrophobicContact CG2-CG1 4.17Å; V27-V37 HydrophobicContact CG2-CG2 4.11Å; V37-P57 WeakPolarHBondContact O-CB 3.46Å; V37-F58 HydrophobicContact CB-CB 4.35Å; V37-F58 HydrophobicContact CB-CD1 4.15Å; V37-F58 HydrophobicContact CG2-CD1 3.8Å; V37-F58 HydrophobicContact CG2-CE1 4.47Å; V37-F58 PolarHBondContact N-O 2.76Å; V37-F58 PolarHBondContact O-N 3.11Å; V37-F60 HydrophobicContact CG2-CD1 4.44Å; V37-F60 HydrophobicContact CG2-CE1 4.03Å; V37-I99 HydrophobicContact CB-CG2 4.46Å; V37-I99 HydrophobicContact CG1-CG2 3.97Å; V37-I99 HydrophobicContact CG2-CG2 3.63Å
38	F	79.5	Confident	67.5	Low	27 Å²	27	47.1 Å²	47.1	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.9	178.4	-57.5	-89.1	0	0	0	108.9	H25 L26 C28 L36 P57 I327	H25-F38 CarbonylContact C-O 3.59Å; H25-F38 VanDerWaalsContact CA-O 3.28Å; H25-F38 WeakPolarHBondContact CA-O 3.28Å; L26-F38 HydrophobicContact CB-CB 4.34Å; L26-F38 PolarHBondContact N-O 2.86Å; L26-F38 PolarHBondContact O-N 3.23Å; C28-F38 HydrophobicContact CB-CE2 4.24Å; L36-F38 HydrophobicContact CB-CD2 4.42Å; L36-F38 HydrophobicContact CB-CE2 3.55Å; L36-F38 HydrophobicContact CB-CZ 3.84Å; L36-F38 HydrophobicContact CD2-CZ 4.42Å; F38-P57 HydrophobicContact CD1-CB 3.79Å; F38-P57 HydrophobicContact CD1-CG 4.37Å; F38-P57 HydrophobicContact CE1-CB 3.62Å; F38-P57 HydrophobicContact CE1-CG 3.71Å; F38-P57 HydrophobicContact CG-CB 4.46Å; F38-P57 HydrophobicContact CZ-CB 4.17Å; F38-P57 HydrophobicContact CZ-CG 4.11Å; F38-I327 HydrophobicContact CD1-CD1 3.74Å; F38-I327 HydrophobicContact CD2-CD1 4.28Å; F38-I327 HydrophobicContact CE1-CD1 3.82Å; F38-I327 HydrophobicContact CE2-CD1 4.35Å; F38-I327 HydrophobicContact CG-CD1 3.98Å; F38-I327 HydrophobicContact CZ-CD1 4.13Å
39	D	77.3	Confident	65.3	Low	64 Å²	64	49 Å²	49	34%	0.342	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.6	167.2	179	-21.3	0	0	0	107.7	C41 A42 T43	D39-C41 VanDerWaalsContact C-N 3.34Å; D39-C41 PolarHBondContact O-N 2.75Å; D39-C41 PolarHBondContact OD1-N 2.81Å; D39-A42 HydrophobicContact CB-CB 3.87Å; D39-A42 VanDerWaalsContact CG-CB 3.4Å; D39-A42 PolarHBondContact OD1-N 3.48Å; D39-A42 WeakPolarHBondContact OD2-CB 3.29Å; D39-T43 WeakPolarHBondContact O-CB 3.44Å; D39-T43 PolarHBondContact O-N 2.85Å; D39-T43 PolarHBondContact O-OG1 3.35Å
40	V	71.2	Confident	63.3	Low	22 Å²	22	58 Å²	58	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-42.2	-176.3	-179.1	0	0	0	0	109.9	F19 T24 L26 T43 E44	F19-V40 HydrophobicContact CE1-CG2 4.47Å; T24-V40 WeakPolarHBondContact O-CB 3.46Å; T24-V40 PolarHBondContact O-N 3.14Å; L26-V40 HydrophobicContact CB-CG2 4.13Å; V40-T43 WeakPolarHBondContact O-CB 3.43Å; V40-T43 PolarHBondContact O-N 3.32Å; V40-E44 WeakPolarHBondContact O-CG 3.48Å; V40-E44 PolarHBondContact O-N 3.11Å
41	C	67	Low	61.5	Low	66 Å²	66	66.2 Å²	66.2	45%	0.446	36%	0.359	S	S	.	.	H	α-helix	trans	-72.7	-40.1	-177.6	-61.7	0	0	0	0	113.1	D39 T43 E44	D39-C41 VanDerWaalsContact C-N 3.34Å; D39-C41 PolarHBondContact O-N 2.75Å; D39-C41 PolarHBondContact OD1-N 2.81Å; C41-T43 PolarHBondContact O-N 2.94Å; C41-E44 WeakPolarHBondContact O-CB 3.38Å; C41-E44 PolarHBondContact O-N 2.83Å
42	A	58.9	Low	59.8	Low	38 Å²	38	63.7 Å²	63.7	31%	0.314	36%	0.36	S	S	.	.	H	α-helix	trans	-67	-31.7	177.5	0	0	0	0	0	111.9	D39 E44 S45	D39-A42 HydrophobicContact CB-CB 3.87Å; D39-A42 VanDerWaalsContact CG-CB 3.4Å; D39-A42 PolarHBondContact OD1-N 3.48Å; D39-A42 WeakPolarHBondContact OD2-CB 3.29Å; A42-E44 VanDerWaalsContact C-N 3.29Å; A42-E44 PolarHBondContact O-N 3.18Å; A42-S45 PolarHBondContact O-N 3.11Å; A42-S45 PolarHBondContact O-OG 3.22Å
43	T	51.6	Low	57.9	Low	10 Å²	10	63.3 Å²	63.3	6%	0.061	38%	0.38	C	S	.	.	H	α-helix	trans	-62.1	-37.8	176.5	-56.6	0	0	0	0	111.2	D39 V40 C41 S45 I327 F328 L331	D39-T43 WeakPolarHBondContact O-CB 3.44Å; D39-T43 PolarHBondContact O-N 2.85Å; D39-T43 PolarHBondContact O-OG1 3.35Å; V40-T43 WeakPolarHBondContact O-CB 3.43Å; V40-T43 PolarHBondContact O-N 3.32Å; C41-T43 PolarHBondContact O-N 2.94Å; T43-S45 PolarHBondContact O-N 3.08Å; T43-I327 HydrophobicContact CG2-CG2 3.63Å; T43-F328 HydrophobicContact CG2-CD1 3.64Å; T43-F328 HydrophobicContact CG2-CD2 4.11Å; T43-F328 HydrophobicContact CG2-CE1 3.28Å; T43-F328 HydrophobicContact CG2-CE2 3.82Å; T43-F328 HydrophobicContact CG2-CG 4.07Å; T43-F328 HydrophobicContact CG2-CZ 3.41Å; T43-F328 VanDerWaalsContact CG2-CZ 3.41Å; T43-L331 HydrophobicContact CG2-CD1 3.45Å; T43-L331 VanDerWaalsContact CG2-CD1 3.45Å
44	E	47.9	Very low	56.5	Low	48 Å²	48	68.5 Å²	68.5	22%	0.224	40%	0.404	C	S	.	.	H	α-helix	trans	-67.4	-29.2	177.4	-64.5	164.9	-172.8	0	0	113.7	V40 C41 A42 E47 L342	V40-E44 WeakPolarHBondContact O-CG 3.48Å; V40-E44 PolarHBondContact O-N 3.11Å; C41-E44 WeakPolarHBondContact O-CB 3.38Å; C41-E44 PolarHBondContact O-N 2.83Å; A42-E44 VanDerWaalsContact C-N 3.29Å; A42-E44 PolarHBondContact O-N 3.18Å; E44-E47 VanDerWaalsContact O-CG 3.31Å; E44-E47 WeakPolarHBondContact O-CG 3.47Å; E44-L342 HydrophobicContact CG-CD1 4.11Å; E44-L342 WeakPolarHBondContact OE1-CD1 3.46Å; E44-L342 WeakPolarHBondContact OE2-CD1 3.39Å
45	S	42.3	Very low	55.2	Low	78 Å²	78	68.5 Å²	68.5	55%	0.545	42%	0.421	S	S	.	.	H	α-helix	trans	-84.2	-26.3	-172	69.2	0	0	0	0	115.1	A42 T43 E47	A42-S45 PolarHBondContact O-N 3.11Å; A42-S45 PolarHBondContact O-OG 3.22Å; T43-S45 PolarHBondContact O-N 3.08Å; S45-E47 PolarHBondContact O-N 3.25Å; S45-E47 VanDerWaalsContact O-N 3.14Å
46	N	40.5	Very low	54.4	Low	95 Å²	95	74.6 Å²	74.6	51%	0.508	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	9.6	-177.8	-78.1	-33.8	0	0	0	113.6
47	E	45	Very low	54	Low	78 Å²	78	76 Å²	76	36%	0.364	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-8.3	-171.8	-63.8	-176.6	-179.8	0	0	114.5	E44 S45 G49 L331	E44-E47 VanDerWaalsContact O-CG 3.31Å; E44-E47 WeakPolarHBondContact O-CG 3.47Å; S45-E47 PolarHBondContact O-N 3.25Å; S45-E47 VanDerWaalsContact O-N 3.14Å; E47-G49 PolarHBondContact O-N 3.18Å; E47-L331 WeakPolarHBondContact OE1-CB 3.31Å
48	S	35.5	Very low	54	Low	116 Å²	116	78 Å²	78	81%	0.811	47%	0.468	S	S	*	.	S	Bend	trans	-97.9	74.8	178.7	60.5	0	0	0	0	112.7
49	G	35	Very low	54.3	Low	52 Å²	52	81 Å²	81	54%	0.536	48%	0.481	S	S	.	.	S	Bend	trans	106.6	133.6	154.9	0	0	0	0	0	117.6	E47	E47-G49 PolarHBondContact O-N 3.18Å
50	E	33.9	Very low	54.9	Low	188 Å²	188	78.9 Å²	78.9	88%	0.879	47%	0.469	S	S	*	.	S	Bend	trans	48.5	105.5	145.8	-61.3	-176.7	167.4	0	0	118.6	S52	E50-S52 PolarHBondContact O-N 3.17Å
51	D	38.5	Very low	55.6	Low	178 Å²	178	83.4 Å²	83.4	95%	0.952	48%	0.483	S	S	*	.			trans	48.3	25.2	151.6	-75	-16.4	0	0	0	117.8	A53	D51-A53 PolarHBondContact O-N 2.95Å
52	S	38.9	Very low	56.5	Low	73 Å²	73	81.1 Å²	81.1	51%	0.51	47%	0.467	S	S	.	.			trans	-68.2	118.9	171.1	63.4	0	0	0	0	108.7	E50 Q54	E50-S52 PolarHBondContact O-N 3.17Å; S52-Q54 VanDerWaalsContact C-N 3.34Å; S52-Q54 PolarHBondContact O-N 3.26Å
53	A	39.9	Very low	57.5	Low	103 Å²	103	80.2 Å²	80.2	85%	0.851	46%	0.459	S	S	*	.			trans	-56.2	100.5	173.1	0	0	0	0	0	108.3	D51 A55	D51-A53 PolarHBondContact O-N 2.95Å; A53-A55 PolarHBondContact O-N 3.1Å
54	Q	49	Very low	58.9	Low	109 Å²	109	86.6 Å²	86.6	51%	0.509	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-53.3	120.8	-171.9	-163.7	171.2	11.3	0	0	110.1	S52 E56 F328	S52-Q54 VanDerWaalsContact C-N 3.34Å; S52-Q54 PolarHBondContact O-N 3.26Å; Q54-E56 PolarHBondContact O-N 3.5Å; Q54-F328 HydrophobicContact CG-CE2 4.45Å; Q54-F328 HydrophobicContact CG-CZ 4.41Å
55	A	54.9	Low	60.4	Low	82 Å²	82	84.8 Å²	84.8	68%	0.678	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-62	124.5	-179.7	0	0	0	0	0	109.6	A53	A53-A55 PolarHBondContact O-N 3.1Å
56	E	67.9	Low	62	Low	128 Å²	128	81.4 Å²	81.4	60%	0.598	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-62.3	137.4	177.9	-63.8	-165.7	142.7	0	0	110	Y10 Q54	Y10-E56 PolarHBondContact OH-OE1 3.15Å; Q54-E56 PolarHBondContact O-N 3.5Å
57	P	75.9	Confident	63.9	Low	36 Å²	36	76.9 Å²	76.9	23%	0.234	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-61.1	144.2	176.7	26.6	-34.7	0	0	0	110.2	L36 V37 F38 K59	L36-P57 HydrophobicContact CD2-CG 4.2Å; V37-P57 WeakPolarHBondContact O-CB 3.46Å; F38-P57 HydrophobicContact CD1-CB 3.79Å; F38-P57 HydrophobicContact CD1-CG 4.37Å; F38-P57 HydrophobicContact CE1-CB 3.62Å; F38-P57 HydrophobicContact CE1-CG 3.71Å; F38-P57 HydrophobicContact CG-CB 4.46Å; F38-P57 HydrophobicContact CZ-CB 4.17Å; F38-P57 HydrophobicContact CZ-CG 4.11Å; P57-K59 PolarHBondContact O-N 3.01Å
58	F	83.9	Confident	65.6	Low	47 Å²	47	75.6 Å²	75.6	21%	0.206	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	131.4	172.7	174.9	-110.7	0	0	0	108.8	V37 F60 H102 P104	V37-F58 HydrophobicContact CB-CB 4.35Å; V37-F58 HydrophobicContact CB-CD1 4.15Å; V37-F58 HydrophobicContact CG2-CD1 3.8Å; V37-F58 HydrophobicContact CG2-CE1 4.47Å; V37-F58 PolarHBondContact N-O 2.76Å; V37-F58 PolarHBondContact O-N 3.11Å; F58-F60 HydrophobicContact CD1-CD1 4.29Å; F58-F60 AromaticContact CE1-CD1 3.59Å; F58-F60 HydrophobicContact CE1-CD1 3.59Å; F58-F60 HydrophobicContact CE1-CE1 4.15Å; F58-F60 HydrophobicContact CE1-CG 4.44Å; F58-F60 HydrophobicContact CZ-CB 4.35Å; F58-F60 HydrophobicContact CZ-CD1 4.16Å; F58-H102 WeakPolarHBondContact CB-NE2 3.26Å; F58-H102 HydrophobicContact CD1-CB 4.21Å; F58-H102 AromaticContact CD1-CD2 3.45Å; F58-H102 VanDerWaalsContact CD1-CD2 3.45Å; F58-H102 WeakPolarHBondContact CD1-CD2 3.34Å; F58-H102 AromaticContact CD1-CG 3.92Å; F58-H102 HydrophobicContact CD2-CB 3.73Å; F58-H102 AromaticContact CD2-CD2 3.94Å; F58-H102 AromaticContact CD2-CG 3.62Å; F58-H102 AromaticContact CD2-ND1 3.99Å; F58-H102 HydrophobicContact CE1-CB 4.09Å; F58-H102 HydrophobicContact CE2-CB 3.6Å; F58-H102 HydrophobicContact CG-CB 4.05Å; F58-H102 AromaticContact CG-CD2 3.37Å; F58-H102 WeakPolarHBondContact CG-CD2 3.2Å; F58-H102 AromaticContact CG-CG 3.57Å; F58-H102 AromaticContact CG-NE2 3.74Å; F58-H102 HydrophobicContact CZ-CB 3.8Å; F58-P104 HydrophobicContact CE1-CG 4.29Å; F58-P104 HydrophobicContact CZ-CG 4.07Å
59	K	86	Confident	68	Low	89 Å²	89	70.5 Å²	70.5	39%	0.387	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.3	-179.8	70.7	-170.9	175.2	-158.3	0	111.4	Y10 L35 P57	Y10-K59 PolarHBondContact OH-NZ 3.08Å; L35-K59 WeakPolarHBondContact O-CA 3.08Å; L35-K59 WeakPolarHBondContact O-CB 3.47Å; P57-K59 PolarHBondContact O-N 3.01Å
60	F	88.4	Confident	70.4	Confident	21 Å²	21	68.1 Å²	68.1	9%	0.092	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.6	175.2	66	-80.9	0	0	0	110.5	Y34 L35 V37 F58 V62 Y94 I99 P104	Y34-F60 WeakPolarHBondContact CA-O 3.1Å; L35-F60 HydrophobicContact CB-CD1 4.4Å; L35-F60 HydrophobicContact CB-CE1 4.06Å; L35-F60 HydrophobicContact CB-CZ 4.27Å; L35-F60 HydrophobicContact CD1-CD2 4.24Å; L35-F60 HydrophobicContact CD1-CE1 3.84Å; L35-F60 HydrophobicContact CD1-CE2 3.46Å; L35-F60 VanDerWaalsContact CD1-CE2 3.46Å; L35-F60 HydrophobicContact CD1-CZ 3.22Å; L35-F60 HydrophobicContact CG-CZ 4.41Å; L35-F60 PolarHBondContact N-O 3.43Å; L35-F60 PolarHBondContact O-N 3.4Å; V37-F60 HydrophobicContact CG2-CD1 4.44Å; V37-F60 HydrophobicContact CG2-CE1 4.03Å; F58-F60 HydrophobicContact CD1-CD1 4.29Å; F58-F60 AromaticContact CE1-CD1 3.59Å; F58-F60 HydrophobicContact CE1-CD1 3.59Å; F58-F60 HydrophobicContact CE1-CE1 4.15Å; F58-F60 HydrophobicContact CE1-CG 4.44Å; F58-F60 HydrophobicContact CZ-CB 4.35Å; F58-F60 HydrophobicContact CZ-CD1 4.16Å; F60-V62 HydrophobicContact CD2-CG2 4.29Å; F60-V62 HydrophobicContact CE2-CG2 3.95Å; F60-Y94 HydrophobicContact CE2-CD1 4.19Å; F60-Y94 AromaticContact CE2-CE1 3.86Å; F60-Y94 HydrophobicContact CE2-CE1 3.86Å; F60-I99 HydrophobicContact CE1-CG1 4.22Å; F60-I99 HydrophobicContact CE1-CG2 4.19Å; F60-I99 HydrophobicContact CZ-CD1 4.24Å; F60-I99 HydrophobicContact CZ-CG1 3.93Å; F60-P104 HydrophobicContact CB-CG 3.86Å; F60-P104 HydrophobicContact CD1-CB 4.16Å; F60-P104 HydrophobicContact CD1-CG 3.81Å; F60-P104 HydrophobicContact CD2-CB 3.66Å; F60-P104 HydrophobicContact CD2-CG 3.54Å; F60-P104 HydrophobicContact CE1-CB 3.99Å; F60-P104 HydrophobicContact CE1-CG 4.16Å; F60-P104 HydrophobicContact CE2-CB 3.44Å; F60-P104 VanDerWaalsContact CE2-CB 3.44Å; F60-P104 HydrophobicContact CE2-CG 3.89Å; F60-P104 HydrophobicContact CG-CB 3.99Å; F60-P104 HydrophobicContact CG-CG 3.47Å; F60-P104 VanDerWaalsContact CG-CG 3.47Å; F60-P104 HydrophobicContact CZ-CB 3.61Å; F60-P104 HydrophobicContact CZ-CG 4.18Å
61	R	87.6	Confident	73	Confident	116 Å²	116	60.6 Å²	60.6	44%	0.438	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.2	-176.7	-161.9	178.5	-167.9	-171.5	5.3	110	Y32 G33 Y34 C63 N64	Y32-R61 PolarHBondContact O-NE 2.98Å; Y32-R61 PolarHBondContact O-NH2 2.57Å; Y32-R61 VanDerWaalsContact O-NH2 3.15Å; G33-R61 CarbonylContact O-C 3.04Å; G33-R61 WeakPolarHBondContact O-CA 3.5Å; G33-R61 WeakPolarHBondContact O-CG 3.47Å; Y34-R61 HydrophobicContact CD1-CB 3.95Å; Y34-R61 HydrophobicContact CD1-CG 4.34Å; Y34-R61 HydrophobicContact CD2-CG 4.37Å; Y34-R61 HydrophobicContact CE1-CB 3.69Å; Y34-R61 HydrophobicContact CE1-CG 4.12Å; Y34-R61 HydrophobicContact CE2-CG 4.15Å; Y34-R61 HydrophobicContact CG-CG 4.47Å; R61-C63 WeakPolarHBondContact CG-O 2.91Å; R61-C63 PolarHBondContact NE-O 2.8Å; R61-N64 PolarHBondContact NH2-OD1 3.04Å
62	V	85.1	Confident	75.2	Confident	18 Å²	18	52.8 Å²	52.8	11%	0.109	30%	0.295	C	S	.	.			trans	-96.3	-43.2	175.8	-179.8	0	0	0	0	111.4	G33 L35 F60 I67 T84 F92 Y94	G33-V62 PolarHBondContact O-N 2.96Å; L35-V62 HydrophobicContact CD1-CG2 3.27Å; L35-V62 HydrophobicContact CG-CG2 3.81Å; F60-V62 HydrophobicContact CD2-CG2 4.29Å; F60-V62 HydrophobicContact CE2-CG2 3.95Å; V62-I67 HydrophobicContact CB-CD1 4.38Å; V62-T84 HydrophobicContact CB-CG2 4.14Å; V62-T84 HydrophobicContact CG1-CG2 3.9Å; V62-T84 WeakPolarHBondContact CG1-OG1 3.4Å; V62-T84 HydrophobicContact CG2-CG2 4.06Å; V62-F92 HydrophobicContact CG1-CB 3.92Å; V62-F92 HydrophobicContact CG1-CD1 3.8Å; V62-F92 HydrophobicContact CG1-CD2 3.76Å; V62-F92 HydrophobicContact CG1-CE1 4.28Å; V62-F92 HydrophobicContact CG1-CE2 4.24Å; V62-F92 HydrophobicContact CG1-CG 3.53Å; V62-F92 HydrophobicContact CG1-CZ 4.49Å; V62-Y94 HydrophobicContact CG1-CE2 3.93Å; V62-Y94 WeakPolarHBondContact CG1-OH 3.31Å; V62-Y94 HydrophobicContact CG2-CE2 3.87Å
63	C	80.3	Confident	77.1	Confident	20 Å²	20	49.8 Å²	49.8	14%	0.135	27%	0.273	C	S	.	.			trans	-145.8	171.5	-173.3	65.9	0	0	0	0	112.6	R61 G65 T86	R61-C63 WeakPolarHBondContact CG-O 2.91Å; R61-C63 PolarHBondContact NE-O 2.8Å; C63-G65 PolarHBondContact O-N 2.86Å; C63-G65 PolarHBondContact SG-O 2.82Å; C63-T86 HydrophobicContact CB-CG2 3.49Å; C63-T86 VanDerWaalsContact CB-CG2 3.49Å; C63-T86 VanDerWaalsContact SG-CG2 3.59Å
64	N	81.4	Confident	78.3	Confident	143 Å²	143	47 Å²	47	77%	0.765	26%	0.255	S	S	*	.	S	Bend	trans	-96	65.2	173.9	-169.3	31.5	0	0	0	111.3	R61	R61-N64 PolarHBondContact NH2-OD1 3.04Å
65	G	77.8	Confident	78.1	Confident	11 Å²	11	48.5 Å²	48.5	11%	0.113	27%	0.267	C	S	.	.	S	Bend	trans	166.8	175.1	-178.8	0	0	0	0	0	112	R31 Y32 G33 C63	R31-G65 CarbonylContact O-C 3.6Å; Y32-G65 CarbonylContact C-O 3.53Å; G33-G65 WeakPolarHBondContact CA-O 3.28Å; G33-G65 PolarHBondContact N-O 2.78Å; C63-G65 PolarHBondContact O-N 2.86Å; C63-G65 PolarHBondContact SG-O 2.82Å
66	P	76.5	Confident	77	Confident	6 Å²	6	52.6 Å²	52.6	4%	0.039	28%	0.276	C	S	.	.			trans	-55.4	155.2	174.2	25.1	-35.9	0	0	0	113	F15 R31 Y68 Y87	F15-P66 HydrophobicContact CD2-CB 4.39Å; F15-P66 HydrophobicContact CE2-CB 3.85Å; R31-P66 HydrophobicContact CB-CB 4.46Å; R31-P66 WeakPolarHBondContact O-CA 3.39Å; R31-P66 WeakPolarHBondContact O-CD 3.26Å; R31-P66 VanDerWaalsContact O-N 3.1Å; P66-Y68 HydrophobicContact CB-CD2 4.39Å; P66-Y68 HydrophobicContact CB-CE1 3.99Å; P66-Y68 HydrophobicContact CB-CE2 3.81Å; P66-Y68 HydrophobicContact CG-CD2 4.46Å; P66-Y68 HydrophobicContact CG-CE1 4.32Å; P66-Y68 HydrophobicContact CG-CE2 3.53Å; P66-Y68 VanDerWaalsContact CG-CZ 3.46Å; P66-Y68 VanDerWaalsContact CG-OH 3.31Å; P66-Y68 WeakPolarHBondContact CG-OH 3.38Å; P66-Y87 VanDerWaalsContact CD-CD2 3.44Å; P66-Y87 HydrophobicContact CG-CD1 4.38Å; P66-Y87 HydrophobicContact CG-CD2 3.84Å; P66-Y87 HydrophobicContact CG-CE1 3.81Å; P66-Y87 HydrophobicContact CG-CE2 3.27Å; P66-Y87 HydrophobicContact CG-CG 4.37Å; P66-Y87 VanDerWaalsContact CG-OH 3.32Å; P66-Y87 WeakPolarHBondContact CG-OH 3.24Å
67	I	80.4	Confident	75.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.285	C	S	.	.			trans	-120.9	115.1	170.6	-59.9	166.7	0	0	0	105.6	F15 C29 N30 L35 V62 L70 T84 G85	F15-I67 WeakPolarHBondContact CB-O 3.45Å; F15-I67 WeakPolarHBondContact CD2-O 3.44Å; C29-I67 HydrophobicContact CB-CB 3.7Å; C29-I67 HydrophobicContact CB-CD1 4.17Å; C29-I67 HydrophobicContact CB-CG2 3.5Å; C29-I67 VanDerWaalsContact CB-CG2 3.5Å; C29-I67 VanDerWaalsContact SG-CG2 3.58Å; C29-I67 PolarHBondContact SG-O 3.31Å; N30-I67 PolarHBondContact O-N 3.02Å; L35-I67 HydrophobicContact CD2-CD1 3.8Å; L35-I67 HydrophobicContact CG-CD1 4.28Å; V62-I67 HydrophobicContact CB-CD1 4.38Å; I67-L70 HydrophobicContact CG2-CD2 3.86Å; I67-T84 HydrophobicContact CB-CG2 4.39Å; I67-T84 HydrophobicContact CD1-CG2 3.64Å; I67-T84 HydrophobicContact CG1-CG2 3.95Å; I67-T84 VanDerWaalsContact CG2-CB 3.5Å; I67-T84 HydrophobicContact CG2-CG2 3.59Å; I67-G85 WeakPolarHBondContact CA-O 3.21Å
68	Y	81.2	Confident	72.9	Confident	52 Å²	52	55.9 Å²	55.9	20%	0.204	30%	0.3	C	S	.	.			trans	-95	-31.8	-173.4	-65.3	-70.6	0	0	0	114	F15 P66 Y87 E124	F15-Y68 HydrophobicContact CB-CD1 4.4Å; F15-Y68 AromaticContact CD1-CD1 3.98Å; F15-Y68 HydrophobicContact CD1-CD1 3.98Å; F15-Y68 HydrophobicContact CD1-CE1 4.25Å; F15-Y68 AromaticContact CD2-CD1 3.99Å; F15-Y68 HydrophobicContact CD2-CD1 3.99Å; F15-Y68 HydrophobicContact CD2-CE1 4.22Å; F15-Y68 HydrophobicContact CE1-CD1 4.16Å; F15-Y68 AromaticContact CE1-CE1 3.95Å; F15-Y68 HydrophobicContact CE1-CE1 3.95Å; F15-Y68 HydrophobicContact CE2-CD1 4.15Å; F15-Y68 AromaticContact CE2-CE1 3.9Å; F15-Y68 HydrophobicContact CE2-CE1 3.9Å; F15-Y68 AromaticContact CG-CD1 3.88Å; F15-Y68 HydrophobicContact CG-CD1 3.88Å; F15-Y68 HydrophobicContact CG-CE1 4.37Å; F15-Y68 HydrophobicContact CZ-CD1 4.23Å; F15-Y68 AromaticContact CZ-CE1 3.76Å; F15-Y68 HydrophobicContact CZ-CE1 3.76Å; P66-Y68 HydrophobicContact CB-CD2 4.39Å; P66-Y68 HydrophobicContact CB-CE1 3.99Å; P66-Y68 HydrophobicContact CB-CE2 3.81Å; P66-Y68 HydrophobicContact CG-CD2 4.46Å; P66-Y68 HydrophobicContact CG-CE1 4.32Å; P66-Y68 HydrophobicContact CG-CE2 3.53Å; P66-Y68 VanDerWaalsContact CG-CZ 3.46Å; P66-Y68 VanDerWaalsContact CG-OH 3.31Å; P66-Y68 WeakPolarHBondContact CG-OH 3.38Å; Y68-Y87 HydrophobicContact CE2-CD1 4.47Å; Y68-Y87 HydrophobicContact CE2-CE1 4.06Å; Y68-Y87 PolarHBondContact OH-OH 2.86Å; Y68-E124 HydrophobicContact CD2-CB 4.12Å; Y68-E124 HydrophobicContact CE2-CB 4.08Å
69	A	85.1	Confident	70.1	Confident	9 Å²	9	56.5 Å²	56.5	7%	0.074	30%	0.302	C	S	.	.			trans	-123.5	146	-179.2	0	0	0	0	0	110.8	L128	A69-L128 HydrophobicContact CB-CB 4.22Å; A69-L128 HydrophobicContact CB-CD1 3.62Å; A69-L128 HydrophobicContact CB-CG 3.75Å
70	L	86.7	Confident	67.6	Low	1 Å²	1	56.2 Å²	56.2	1%	0.005	30%	0.299	C	S	.	.			trans	-129.5	148.1	166.3	-62.3	-175.7	0	0	0	109.2	G16 V18 V27 C29 L35 I67 L82 T84 R308	G16-L70 WeakPolarHBondContact O-CD1 3.26Å; V18-L70 HydrophobicContact CB-CB 4.21Å; V18-L70 HydrophobicContact CG1-CB 4.14Å; V18-L70 HydrophobicContact CG1-CD1 4.28Å; V27-L70 HydrophobicContact CG1-CD1 4.34Å; V27-L70 WeakPolarHBondContact O-CD1 3.35Å; C29-L70 HydrophobicContact CB-CD1 3.78Å; C29-L70 HydrophobicContact CB-CD2 3.71Å; C29-L70 HydrophobicContact CB-CG 3.86Å; C29-L70 VanDerWaalsContact SG-CG 3.53Å; L35-L70 HydrophobicContact CD2-CD2 4.1Å; I67-L70 HydrophobicContact CG2-CD2 3.86Å; L70-L82 HydrophobicContact CB-CD1 4.29Å; L70-L82 HydrophobicContact CD1-CD1 3.99Å; L70-L82 HydrophobicContact CD2-CD1 3.49Å; L70-L82 VanDerWaalsContact CD2-CD1 3.49Å; L70-L82 HydrophobicContact CD2-CD2 3.51Å; L70-L82 HydrophobicContact CD2-CG 3.57Å; L70-L82 HydrophobicContact CG-CD1 4.12Å; L70-T84 HydrophobicContact CD2-CG2 4.42Å; L70-R308 PolarHBondContact O-NH2 2.88Å
71	Q	87.4	Confident	65.1	Low	30 Å²	30	55.3 Å²	55.3	14%	0.14	30%	0.295	C	S	.	.			trans	-147.2	143.6	170.8	-174.5	54.9	45.1	0	0	109.6	L83 L128 F130 L138	Q71-L83 HydrophobicContact CB-CD1 4.31Å; Q71-L128 HydrophobicContact CB-CB 3.79Å; Q71-L128 HydrophobicContact CB-CD1 4.35Å; Q71-F130 HydrophobicContact CG-CB 3.85Å; Q71-L138 HydrophobicContact CG-CD1 4.4Å
72	S	84.8	Confident	62.6	Low	14 Å²	14	50.1 Å²	50.1	10%	0.098	28%	0.276	C	S	.	.			trans	-111.9	152.3	175.1	-176.7	0	0	0	0	109.1	F19 W96	F19-S72 VanDerWaalsContact O-CB 3.3Å; F19-S72 WeakPolarHBondContact O-CB 3.26Å; F19-S72 PolarHBondContact O-OG 3.04Å; F19-S72 VanDerWaalsContact O-OG 3.1Å; S72-W96 PolarHBondContact OG-NE1 3.23Å
73	V	78.6	Confident	60.8	Low	10 Å²	10	49.2 Å²	49.2	6%	0.061	27%	0.27	C	S	.	.			trans	-137	130.8	-173.9	175.7	0	0	0	0	108.5	F130	V73-F130 HydrophobicContact CB-CD2 4.38Å; V73-F130 HydrophobicContact CB-CE2 4.3Å; V73-F130 HydrophobicContact CB-CZ 4.43Å; V73-F130 HydrophobicContact CG1-CD2 4.03Å; V73-F130 HydrophobicContact CG1-CE1 4.13Å; V73-F130 HydrophobicContact CG1-CE2 3.48Å; V73-F130 VanDerWaalsContact CG1-CE2 3.48Å; V73-F130 HydrophobicContact CG1-CZ 3.54Å; V73-F130 HydrophobicContact CG2-CB 4.31Å; V73-F130 HydrophobicContact CG2-CD1 4.41Å; V73-F130 HydrophobicContact CG2-CD2 3.64Å; V73-F130 HydrophobicContact CG2-CE2 4.01Å; V73-F130 HydrophobicContact CG2-CG 3.86Å
74	G	65.7	Low	59.2	Low	46 Å²	46	48.3 Å²	48.3	47%	0.474	26%	0.264	S	S	.	.			trans	-177.9	154.6	177.4	0	0	0	0	0	111.3
75	D	44.2	Very low	57.5	Low	140 Å²	140	41.5 Å²	41.5	75%	0.749	23%	0.228	S	C	*	.	S	Bend	cis	-122.7	164.3	22.6	-96.3	-21.6	0	0	0	115.3
76	L	33.4	Very low	56.2	Low	168 Å²	168	41.1 Å²	41.1	88%	0.88	22%	0.223	S	C	*	.	S	Bend	trans	99.2	-39.3	163.9	-80.3	159.4	0	0	0	121.7
77	L	28.7	Very low	54.9	Low	151 Å²	151	46.1 Å²	46.1	79%	0.791	24%	0.242	S	C	*	.	S	Bend	trans	-156.6	104.6	-177.3	-94.9	157.5	0	0	0	111.3
78	C	27	Very low	54.1	Low	81 Å²	81	51.7 Å²	51.7	55%	0.547	27%	0.272	S	S	.	.	S	Bend	trans	71.6	148.5	160	-49.9	0	0	0	0	117
79	W	26.1	Very low	53.9	Low	61 Å²	61	50.2 Å²	50.2	23%	0.231	27%	0.272	C	S	.	.			trans	70.6	78	178	-68.4	-95.6	0	0	0	116	L107	W79-L107 HydrophobicContact CD2-CD2 4.41Å; W79-L107 HydrophobicContact CG-CD2 4.08Å
80	Y	34.4	Very low	53.8	Low	83 Å²	83	50.9 Å²	50.9	33%	0.325	27%	0.274	S	S	.	.			trans	-76.8	137.1	144	-37.1	-72.9	0	0	0	106.7	Y94 H95 W96 E97	Y80-Y94 CarbonylContact C-O 3.41Å; Y80-Y94 VanDerWaalsContact CB-O 3.3Å; Y80-Y94 WeakPolarHBondContact CB-O 3.46Å; Y80-Y94 CarbonylContact O-C 3.52Å; Y80-Y94 PolarHBondContact O-N 3.44Å; Y80-H95 HydrophobicContact CD2-CB 3.87Å; Y80-H95 AromaticContact CD2-ND1 3.59Å; Y80-W96 VanDerWaalsContact CB-CD1 3.43Å; Y80-W96 HydrophobicContact CD1-CB 3.79Å; Y80-W96 AromaticContact CD1-CD1 3.26Å; Y80-W96 AromaticContact CD1-CG 3.89Å; Y80-W96 HydrophobicContact CD1-CG 3.89Å; Y80-W96 HydrophobicContact CD2-CB 3.75Å; Y80-W96 HydrophobicContact CE1-CB 4.06Å; Y80-W96 AromaticContact CE1-CD1 3.96Å; Y80-W96 HydrophobicContact CE1-CG 4.41Å; Y80-W96 HydrophobicContact CE2-CB 4.09Å; Y80-W96 HydrophobicContact CG-CB 3.52Å; Y80-W96 AromaticContact CG-CD1 3.55Å; Y80-W96 AromaticContact CG-CG 3.86Å; Y80-W96 HydrophobicContact CG-CG 3.86Å; Y80-E97 HydrophobicContact CE2-CB 4.5Å
81	A	34.5	Very low	53.8	Low	2 Å²	2	50.8 Å²	50.8	2%	0.017	27%	0.274	C	S	.	.			trans	-141.4	100	-174	0	0	0	0	0	107.4	L83 I93 Y94	A81-L83 HydrophobicContact CB-CD1 3.99Å; A81-L83 HydrophobicContact CB-CD2 4.06Å; A81-L83 HydrophobicContact CB-CG 3.74Å; A81-L83 PolarHBondContact O-N 2.89Å; A81-I93 HydrophobicContact CB-CB 3.98Å; A81-I93 HydrophobicContact CB-CG1 3.92Å; A81-I93 HydrophobicContact CB-CG2 3.57Å; A81-Y94 PolarHBondContact N-O 3.23Å
82	L	36.6	Very low	53.8	Low	6 Å²	6	50.6 Å²	50.6	3%	0.031	27%	0.273	C	S	.	.			trans	-80.2	90.8	163.6	-166.3	110.5	0	0	0	110.4	V18 V27 L35 L70 T84 F92 Y94 I99	V18-L82 HydrophobicContact CG1-CD1 3.99Å; V27-L82 HydrophobicContact CB-CD1 4.28Å; V27-L82 HydrophobicContact CG1-CD1 3.68Å; L35-L82 HydrophobicContact CD1-CD2 3.06Å; L35-L82 HydrophobicContact CD1-CG 4.32Å; L35-L82 HydrophobicContact CD2-CD2 3.11Å; L35-L82 HydrophobicContact CD2-CG 4.38Å; L35-L82 HydrophobicContact CG-CD2 3.56Å; L70-L82 HydrophobicContact CB-CD1 4.29Å; L70-L82 HydrophobicContact CD1-CD1 3.99Å; L70-L82 HydrophobicContact CD2-CD1 3.49Å; L70-L82 VanDerWaalsContact CD2-CD1 3.49Å; L70-L82 HydrophobicContact CD2-CD2 3.51Å; L70-L82 HydrophobicContact CD2-CG 3.57Å; L70-L82 HydrophobicContact CG-CD1 4.12Å; L82-T84 HydrophobicContact CD2-CG2 3.45Å; L82-T84 VanDerWaalsContact CD2-CG2 3.45Å; L82-T84 HydrophobicContact CG-CG2 4.42Å; L82-T84 PolarHBondContact O-N 2.93Å; L82-F92 CarbonylContact C-O 3.48Å; L82-F92 CarbonylContact O-C 3.51Å; L82-Y94 HydrophobicContact CB-CD2 4.09Å; L82-I99 HydrophobicContact CB-CD1 4.47Å
83	L	47.1	Very low	54	Low	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.268	C	S	.	.			trans	-73.5	104.4	179.2	-67.1	156.6	0	0	0	107.8	Q71 A81 V91 F92 I93 L110 L128 L138	Q71-L83 HydrophobicContact CB-CD1 4.31Å; A81-L83 HydrophobicContact CB-CD1 3.99Å; A81-L83 HydrophobicContact CB-CD2 4.06Å; A81-L83 HydrophobicContact CB-CG 3.74Å; A81-L83 PolarHBondContact O-N 2.89Å; L83-V91 HydrophobicContact CB-CG1 3.25Å; L83-V91 HydrophobicContact CD2-CB 3.97Å; L83-V91 HydrophobicContact CD2-CG1 3.21Å; L83-V91 HydrophobicContact CG-CG1 3.73Å; L83-F92 WeakPolarHBondContact CA-O 3.28Å; L83-F92 WeakPolarHBondContact CD2-O 3.46Å; L83-F92 PolarHBondContact N-O 2.7Å; L83-F92 VanDerWaalsContact N-O 3.13Å; L83-I93 HydrophobicContact CD2-CD1 4.37Å; L83-I93 HydrophobicContact CD2-CG1 3.76Å; L83-L110 HydrophobicContact CD2-CD1 3.94Å; L83-L128 HydrophobicContact CB-CD1 3.3Å; L83-L128 HydrophobicContact CB-CD2 4.11Å; L83-L128 HydrophobicContact CB-CG 4.32Å; L83-L128 WeakPolarHBondContact O-CD1 3.36Å; L83-L138 HydrophobicContact CD1-CD1 3.4Å; L83-L138 VanDerWaalsContact CD1-CD1 3.4Å; L83-L138 HydrophobicContact CD1-CD2 3.29Å; L83-L138 HydrophobicContact CD1-CG 3.93Å; L83-L138 HydrophobicContact CD2-CD2 3.53Å; L83-L138 HydrophobicContact CG-CD2 4Å
84	T	45	Very low	54.4	Low	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.			trans	-100.1	119.5	176.6	59.1	0	0	0	0	108.8	L35 V62 I67 L70 L82 T86 F92	L35-T84 HydrophobicContact CD2-CG2 4.27Å; V62-T84 HydrophobicContact CB-CG2 4.14Å; V62-T84 HydrophobicContact CG1-CG2 3.9Å; V62-T84 WeakPolarHBondContact CG1-OG1 3.4Å; V62-T84 HydrophobicContact CG2-CG2 4.06Å; I67-T84 HydrophobicContact CB-CG2 4.39Å; I67-T84 HydrophobicContact CD1-CG2 3.64Å; I67-T84 HydrophobicContact CG1-CG2 3.95Å; I67-T84 VanDerWaalsContact CG2-CB 3.5Å; I67-T84 HydrophobicContact CG2-CG2 3.59Å; L70-T84 HydrophobicContact CD2-CG2 4.42Å; L82-T84 HydrophobicContact CD2-CG2 3.45Å; L82-T84 VanDerWaalsContact CD2-CG2 3.45Å; L82-T84 HydrophobicContact CG-CG2 4.42Å; L82-T84 PolarHBondContact O-N 2.93Å; T84-T86 PolarHBondContact O-N 3.3Å; T84-F92 WeakPolarHBondContact OG1-CD2 3.28Å
85	G	46.8	Very low	55.4	Low	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-71.7	106	166.5	0	0	0	0	0	111.1	I67 V125	I67-G85 WeakPolarHBondContact CA-O 3.21Å; G85-V125 VanDerWaalsContact CA-CB 3.46Å; G85-V125 WeakPolarHBondContact CA-O 3.44Å
86	T	50.3	Low	57.5	Low	4 Å²	4	43.9 Å²	43.9	3%	0.025	22%	0.221	C	C	.	.			trans	-93.7	159.5	177.7	69.8	0	0	0	0	110.5	C63 T84 N88 G89 D90 F92 L123	C63-T86 HydrophobicContact CB-CG2 3.49Å; C63-T86 VanDerWaalsContact CB-CG2 3.49Å; C63-T86 VanDerWaalsContact SG-CG2 3.59Å; T84-T86 PolarHBondContact O-N 3.3Å; T86-N88 PolarHBondContact O-N 3.3Å; T86-N88 PolarHBondContact OG1-N 3.02Å; T86-G89 PolarHBondContact O-N 3.27Å; T86-D90 PolarHBondContact OG1-O 2.82Å; T86-F92 HydrophobicContact CG2-CD2 3.92Å; T86-F92 HydrophobicContact CG2-CE2 3.5Å; T86-F92 VanDerWaalsContact CG2-CE2 3.5Å; T86-L123 VanDerWaalsContact O-O 3.11Å
87	Y	49.2	Very low	60	Low	111 Å²	111	41.7 Å²	41.7	44%	0.435	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-11.1	170.4	-79.6	-49.7	0	0	0	114.4	P66 Y68	P66-Y87 VanDerWaalsContact CD-CD2 3.44Å; P66-Y87 HydrophobicContact CG-CD1 4.38Å; P66-Y87 HydrophobicContact CG-CD2 3.84Å; P66-Y87 HydrophobicContact CG-CE1 3.81Å; P66-Y87 HydrophobicContact CG-CE2 3.27Å; P66-Y87 HydrophobicContact CG-CG 4.37Å; P66-Y87 VanDerWaalsContact CG-OH 3.32Å; P66-Y87 WeakPolarHBondContact CG-OH 3.24Å; Y68-Y87 HydrophobicContact CE2-CD1 4.47Å; Y68-Y87 HydrophobicContact CE2-CE1 4.06Å; Y68-Y87 PolarHBondContact OH-OH 2.86Å
88	N	63.8	Low	62.9	Low	117 Å²	117	35.7 Å²	35.7	63%	0.626	18%	0.175	S	C	*	.	B	Isolated β-bridge	trans	-99.4	-5.6	-179	-60.6	-13.6	0	0	0	113.9	T86 D90	T86-N88 PolarHBondContact O-N 3.3Å; T86-N88 PolarHBondContact OG1-N 3.02Å; N88-D90 VanDerWaalsContact C-N 3.27Å; N88-D90 PolarHBondContact O-N 3.4Å
89	G	77	Confident	65.8	Low	20 Å²	20	32 Å²	32	21%	0.206	15%	0.15	C	C	.	.			trans	85.6	-3.4	-179.8	0	0	0	0	0	115	T86 L123	T86-G89 PolarHBondContact O-N 3.27Å; G89-L123 WeakPolarHBondContact CA-O 3.42Å; G89-L123 PolarHBondContact N-O 3.45Å
90	D	82.7	Confident	68.6	Low	23 Å²	23	32 Å²	32	12%	0.123	15%	0.154	C	C	.	.			trans	-70.6	139.6	176.4	-74.5	-0.7	0	0	0	110.2	T86 N88 F92 I109 R111	T86-D90 PolarHBondContact OG1-O 2.82Å; N88-D90 VanDerWaalsContact C-N 3.27Å; N88-D90 PolarHBondContact O-N 3.4Å; D90-F92 HydrophobicContact CB-CD2 4.25Å; D90-F92 HydrophobicContact CB-CE2 3.61Å; D90-F92 HydrophobicContact CB-CZ 4.24Å; D90-I109 HydrophobicContact CB-CG2 3.69Å; D90-R111 VanDerWaalsContact OD1-CD 3.29Å; D90-R111 WeakPolarHBondContact OD1-CD 3.37Å; D90-R111 VanDerWaalsContact OD1-CG 3.26Å; D90-R111 WeakPolarHBondContact OD1-CG 3.21Å; D90-R111 IonicContact OD1-CZ 3.68Å; D90-R111 IonicContact OD1-NE 2.97Å; D90-R111 PolarHBondContact OD1-NE 2.77Å; D90-R111 IonicContact OD2-CZ 3.63Å; D90-R111 VanDerWaalsContact OD2-CZ 3.24Å; D90-R111 IonicContact OD2-NE 3.56Å; D90-R111 PolarHBondContact OD2-NE 2.88Å; D90-R111 IonicContact OD2-NH2 2.88Å; D90-R111 PolarHBondContact OD2-NH2 3.35Å
91	V	87.3	Confident	71.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.4	171.3	-155.3	0	0	0	0	110	L83 I109 L110 V125 L128	L83-V91 HydrophobicContact CB-CG1 3.25Å; L83-V91 HydrophobicContact CD2-CB 3.97Å; L83-V91 HydrophobicContact CD2-CG1 3.21Å; L83-V91 HydrophobicContact CG-CG1 3.73Å; V91-I109 WeakPolarHBondContact O-CA 2.87Å; V91-L110 HydrophobicContact CB-CB 4.06Å; V91-L110 HydrophobicContact CB-CD1 4.39Å; V91-L110 HydrophobicContact CG2-CB 4.45Å; V91-L110 PolarHBondContact N-O 3.42Å; V91-L110 PolarHBondContact O-N 3.49Å; V91-V125 HydrophobicContact CG2-CG1 4.45Å; V91-V125 HydrophobicContact CG2-CG2 4.12Å; V91-L128 HydrophobicContact CG1-CD1 4.37Å; V91-L128 HydrophobicContact CG1-CD2 3.82Å
92	F	87.6	Confident	73.8	Confident	25 Å²	25	38.3 Å²	38.3	11%	0.11	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	150.4	-172.8	-69.5	-104.5	0	0	0	113.1	V62 L82 L83 T84 T86 D90 Y94 I109	V62-F92 HydrophobicContact CG1-CB 3.92Å; V62-F92 HydrophobicContact CG1-CD1 3.8Å; V62-F92 HydrophobicContact CG1-CD2 3.76Å; V62-F92 HydrophobicContact CG1-CE1 4.28Å; V62-F92 HydrophobicContact CG1-CE2 4.24Å; V62-F92 HydrophobicContact CG1-CG 3.53Å; V62-F92 HydrophobicContact CG1-CZ 4.49Å; L82-F92 CarbonylContact C-O 3.48Å; L82-F92 CarbonylContact O-C 3.51Å; L83-F92 WeakPolarHBondContact CA-O 3.28Å; L83-F92 WeakPolarHBondContact CD2-O 3.46Å; L83-F92 PolarHBondContact N-O 2.7Å; L83-F92 VanDerWaalsContact N-O 3.13Å; T84-F92 WeakPolarHBondContact OG1-CD2 3.28Å; T86-F92 HydrophobicContact CG2-CD2 3.92Å; T86-F92 HydrophobicContact CG2-CE2 3.5Å; T86-F92 VanDerWaalsContact CG2-CE2 3.5Å; D90-F92 HydrophobicContact CB-CD2 4.25Å; D90-F92 HydrophobicContact CB-CE2 3.61Å; D90-F92 HydrophobicContact CB-CZ 4.24Å; F92-Y94 HydrophobicContact CB-CD2 4.22Å; F92-Y94 HydrophobicContact CB-CE2 3.61Å; F92-Y94 HydrophobicContact CG-CE2 4.42Å; F92-I109 HydrophobicContact CD1-CD1 3.89Å; F92-I109 HydrophobicContact CD1-CG1 3.83Å; F92-I109 HydrophobicContact CE1-CD1 3.46Å; F92-I109 VanDerWaalsContact CE1-CD1 3.46Å; F92-I109 HydrophobicContact CE1-CG1 3.92Å; F92-I109 HydrophobicContact CG-CG1 4.46Å; F92-I109 HydrophobicContact CZ-CD1 4.11Å
93	I	88.3	Confident	76.4	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.2	-179	-59.7	-172.1	0	0	0	108.5	A81 L83 C106 L107 N108 L110 L152	A81-I93 HydrophobicContact CB-CB 3.98Å; A81-I93 HydrophobicContact CB-CG1 3.92Å; A81-I93 HydrophobicContact CB-CG2 3.57Å; L83-I93 HydrophobicContact CD2-CD1 4.37Å; L83-I93 HydrophobicContact CD2-CG1 3.76Å; I93-C106 CarbonylContact O-C 3.47Å; I93-C106 WeakPolarHBondContact O-CA 3.25Å; I93-L107 HydrophobicContact CB-CB 4.47Å; I93-L107 HydrophobicContact CG2-CB 3.99Å; I93-L107 HydrophobicContact CG2-CD2 3.82Å; I93-L107 HydrophobicContact CG2-CG 4.31Å; I93-L107 PolarHBondContact O-N 2.79Å; I93-N108 WeakPolarHBondContact CB-O 3.38Å; I93-N108 HydrophobicContact CD1-CB 4.36Å; I93-N108 PolarHBondContact N-O 2.74Å; I93-L110 HydrophobicContact CD1-CD1 4.24Å; I93-L110 HydrophobicContact CD1-CD2 3.89Å; I93-L110 HydrophobicContact CD1-CG 3.9Å; I93-L110 HydrophobicContact CG1-CG 4.46Å; I93-L152 HydrophobicContact CD1-CD2 4.16Å
94	Y	87.8	Confident	78.4	Confident	15 Å²	15	47.8 Å²	47.8	6%	0.059	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	130.7	-174.5	-71.8	-85.9	0	0	0	112.1	F60 V62 Y80 A81 L82 F92 P104 K105 C106	F60-Y94 HydrophobicContact CE2-CD1 4.19Å; F60-Y94 AromaticContact CE2-CE1 3.86Å; F60-Y94 HydrophobicContact CE2-CE1 3.86Å; V62-Y94 HydrophobicContact CG1-CE2 3.93Å; V62-Y94 WeakPolarHBondContact CG1-OH 3.31Å; V62-Y94 HydrophobicContact CG2-CE2 3.87Å; Y80-Y94 CarbonylContact C-O 3.41Å; Y80-Y94 VanDerWaalsContact CB-O 3.3Å; Y80-Y94 WeakPolarHBondContact CB-O 3.46Å; Y80-Y94 CarbonylContact O-C 3.52Å; Y80-Y94 PolarHBondContact O-N 3.44Å; A81-Y94 PolarHBondContact N-O 3.23Å; L82-Y94 HydrophobicContact CB-CD2 4.09Å; F92-Y94 HydrophobicContact CB-CD2 4.22Å; F92-Y94 HydrophobicContact CB-CE2 3.61Å; F92-Y94 HydrophobicContact CG-CE2 4.42Å; Y94-P104 HydrophobicContact CD1-CB 4.19Å; Y94-P104 HydrophobicContact CE1-CB 4.27Å; Y94-K105 VanDerWaalsContact CD1-O 3.28Å; Y94-K105 WeakPolarHBondContact CD1-O 3.32Å; Y94-C106 HydrophobicContact CD1-CB 4.45Å; Y94-C106 HydrophobicContact CE1-CB 3.81Å
95	H	86.6	Confident	80.4	Confident	44 Å²	44	54 Å²	54	20%	0.204	25%	0.253	C	S	.	.			trans	-65.4	131.4	173	-72.6	-65.8	0	0	0	112.4	Y80 E97 D98 I99 L107	Y80-H95 HydrophobicContact CD2-CB 3.87Å; Y80-H95 AromaticContact CD2-ND1 3.59Å; H95-E97 PolarHBondContact O-N 3.48Å; H95-D98 HydrophobicContact CB-CB 4.13Å; H95-D98 IonicContact CD2-OD2 3.72Å; H95-D98 PolarHBondContact O-N 3.01Å; H95-I99 WeakPolarHBondContact O-CG1 3.23Å; H95-I99 PolarHBondContact O-N 2.88Å; H95-L107 VanDerWaalsContact NE2-CD2 3.34Å; H95-L107 WeakPolarHBondContact NE2-CD2 3.25Å
96	W	86.4	Confident	82.4	Confident	11 Å²	11	56.4 Å²	56.4	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-38.6	172.8	-88.2	120.6	0	0	0	109.7	V18 F19 H25 V27 S72 Y80 I99 I100	V18-W96 HydrophobicContact CG1-CH2 4.38Å; V18-W96 HydrophobicContact CG1-CZ2 4Å; F19-W96 WeakPolarHBondContact O-CZ2 3.31Å; H25-W96 HydrophobicContact CB-CZ3 3.96Å; V27-W96 HydrophobicContact CB-CH2 3.94Å; V27-W96 HydrophobicContact CB-CZ3 4.4Å; V27-W96 HydrophobicContact CG2-CE3 4.44Å; V27-W96 HydrophobicContact CG2-CH2 3.38Å; V27-W96 HydrophobicContact CG2-CZ2 4.48Å; V27-W96 HydrophobicContact CG2-CZ3 3.35Å; S72-W96 PolarHBondContact OG-NE1 3.23Å; Y80-W96 VanDerWaalsContact CB-CD1 3.43Å; Y80-W96 HydrophobicContact CD1-CB 3.79Å; Y80-W96 AromaticContact CD1-CD1 3.26Å; Y80-W96 AromaticContact CD1-CG 3.89Å; Y80-W96 HydrophobicContact CD1-CG 3.89Å; Y80-W96 HydrophobicContact CD2-CB 3.75Å; Y80-W96 HydrophobicContact CE1-CB 4.06Å; Y80-W96 AromaticContact CE1-CD1 3.96Å; Y80-W96 HydrophobicContact CE1-CG 4.41Å; Y80-W96 HydrophobicContact CE2-CB 4.09Å; Y80-W96 HydrophobicContact CG-CB 3.52Å; Y80-W96 AromaticContact CG-CD1 3.55Å; Y80-W96 AromaticContact CG-CG 3.86Å; Y80-W96 HydrophobicContact CG-CG 3.86Å; W96-I99 WeakPolarHBondContact O-CB 3.31Å; W96-I99 PolarHBondContact O-N 3.03Å; W96-I99 VanDerWaalsContact O-N 3.17Å; W96-I100 HydrophobicContact CB-CD1 4.41Å; W96-I100 WeakPolarHBondContact O-CB 3.46Å; W96-I100 WeakPolarHBondContact O-CD1 3.31Å; W96-I100 WeakPolarHBondContact O-CG1 3.13Å; W96-I100 PolarHBondContact O-N 2.96Å
97	E	87.1	Confident	84.1	Confident	122 Å²	122	59.5 Å²	59.5	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-56.5	-51.4	173.2	-172.9	176.4	-170.4	0	0	112	Y80 H95 I99 I100 E101	Y80-E97 HydrophobicContact CE2-CB 4.5Å; H95-E97 PolarHBondContact O-N 3.48Å; E97-I99 VanDerWaalsContact C-N 3.26Å; E97-I99 PolarHBondContact O-N 2.8Å; E97-I100 PolarHBondContact O-N 2.79Å; E97-E101 WeakPolarHBondContact O-CB 3.47Å; E97-E101 WeakPolarHBondContact O-CG 3.37Å; E97-E101 PolarHBondContact O-N 3.5Å
98	D	89.3	Confident	85.9	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.134	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-34.6	176.2	-77.1	-43.4	0	0	0	112	H95 R103 K105	H95-D98 HydrophobicContact CB-CB 4.13Å; H95-D98 IonicContact CD2-OD2 3.72Å; H95-D98 PolarHBondContact O-N 3.01Å; D98-R103 CarbonylContact O-C 3.58Å; D98-R103 WeakPolarHBondContact O-CA 3.22Å; D98-R103 PolarHBondContact O-N 3.27Å; D98-K105 IonicContact OD1-NZ 3.93Å
99	I	87.5	Confident	87.1	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-47.9	176.8	-68.1	169.8	0	0	0	110.8	V37 F60 L82 H95 W96 E97 E101 H102 P104	V37-I99 HydrophobicContact CB-CG2 4.46Å; V37-I99 HydrophobicContact CG1-CG2 3.97Å; V37-I99 HydrophobicContact CG2-CG2 3.63Å; F60-I99 HydrophobicContact CE1-CG1 4.22Å; F60-I99 HydrophobicContact CE1-CG2 4.19Å; F60-I99 HydrophobicContact CZ-CD1 4.24Å; F60-I99 HydrophobicContact CZ-CG1 3.93Å; L82-I99 HydrophobicContact CB-CD1 4.47Å; H95-I99 WeakPolarHBondContact O-CG1 3.23Å; H95-I99 PolarHBondContact O-N 2.88Å; W96-I99 WeakPolarHBondContact O-CB 3.31Å; W96-I99 PolarHBondContact O-N 3.03Å; W96-I99 VanDerWaalsContact O-N 3.17Å; E97-I99 VanDerWaalsContact C-N 3.26Å; E97-I99 PolarHBondContact O-N 2.8Å; I99-E101 VanDerWaalsContact C-N 3.35Å; I99-H102 WeakPolarHBondContact O-CA 3.29Å; I99-H102 PolarHBondContact O-N 2.99Å; I99-P104 HydrophobicContact CG1-CB 4.45Å
100	I	85.9	Confident	87.6	Confident	62 Å²	62	52.7 Å²	52.7	32%	0.318	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-38	-179.1	-68.4	165.7	0	0	0	110.5	W96 E97 H102	W96-I100 HydrophobicContact CB-CD1 4.41Å; W96-I100 WeakPolarHBondContact O-CB 3.46Å; W96-I100 WeakPolarHBondContact O-CD1 3.31Å; W96-I100 WeakPolarHBondContact O-CG1 3.13Å; W96-I100 PolarHBondContact O-N 2.96Å; E97-I100 PolarHBondContact O-N 2.79Å; I100-H102 PolarHBondContact O-CD2 3.15Å; I100-H102 VanDerWaalsContact O-CD2 3.31Å; I100-H102 PolarHBondContact O-N 3.11Å; I100-H102 VanDerWaalsContact O-N 3.12Å
101	E	88.7	Confident	87.7	Confident	108 Å²	108	57.5 Å²	57.5	51%	0.505	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	2.8	172.4	-70.5	-167.1	168.7	0	0	113.9	E97 I99 R103	E97-E101 WeakPolarHBondContact O-CB 3.47Å; E97-E101 WeakPolarHBondContact O-CG 3.37Å; E97-E101 PolarHBondContact O-N 3.5Å; I99-E101 VanDerWaalsContact C-N 3.35Å; E101-R103 PolarHBondContact O-N 2.83Å
102	H	89.8	Confident	87.3	Confident	109 Å²	109	59.3 Å²	59.3	51%	0.505	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	30.8	-176.4	-59.2	172.4	0	0	0	113.4	F58 I99 I100 P104	F58-H102 WeakPolarHBondContact CB-NE2 3.26Å; F58-H102 HydrophobicContact CD1-CB 4.21Å; F58-H102 AromaticContact CD1-CD2 3.45Å; F58-H102 VanDerWaalsContact CD1-CD2 3.45Å; F58-H102 WeakPolarHBondContact CD1-CD2 3.34Å; F58-H102 AromaticContact CD1-CG 3.92Å; F58-H102 HydrophobicContact CD2-CB 3.73Å; F58-H102 AromaticContact CD2-CD2 3.94Å; F58-H102 AromaticContact CD2-CG 3.62Å; F58-H102 AromaticContact CD2-ND1 3.99Å; F58-H102 HydrophobicContact CE1-CB 4.09Å; F58-H102 HydrophobicContact CE2-CB 3.6Å; F58-H102 HydrophobicContact CG-CB 4.05Å; F58-H102 AromaticContact CG-CD2 3.37Å; F58-H102 WeakPolarHBondContact CG-CD2 3.2Å; F58-H102 AromaticContact CG-CG 3.57Å; F58-H102 AromaticContact CG-NE2 3.74Å; F58-H102 HydrophobicContact CZ-CB 3.8Å; I99-H102 WeakPolarHBondContact O-CA 3.29Å; I99-H102 PolarHBondContact O-N 2.99Å; I100-H102 PolarHBondContact O-CD2 3.15Å; I100-H102 VanDerWaalsContact O-CD2 3.31Å; I100-H102 PolarHBondContact O-N 3.11Å; I100-H102 VanDerWaalsContact O-N 3.12Å; H102-P104 VanDerWaalsContact C-CD 3.43Å
103	R	90.6	Very high	86.4	Confident	169 Å²	169	66.3 Å²	66.3	64%	0.638	31%	0.313	S	S	*	.			trans	-130.3	55.6	179.2	-68	178.6	176.9	-178.8	1	111.7	D98 E101 K105	D98-R103 CarbonylContact O-C 3.58Å; D98-R103 WeakPolarHBondContact O-CA 3.22Å; D98-R103 PolarHBondContact O-N 3.27Å; E101-R103 PolarHBondContact O-N 2.83Å; R103-K105 PolarHBondContact O-N 2.81Å
104	P	89.2	Confident	85	Confident	36 Å²	36	68.1 Å²	68.1	23%	0.234	33%	0.326	C	S	.	.			trans	-59.4	121.7	-173.2	26	-35.7	0	0	0	111.3	F58 F60 Y94 I99 H102	F58-P104 HydrophobicContact CE1-CG 4.29Å; F58-P104 HydrophobicContact CZ-CG 4.07Å; F60-P104 HydrophobicContact CB-CG 3.86Å; F60-P104 HydrophobicContact CD1-CB 4.16Å; F60-P104 HydrophobicContact CD1-CG 3.81Å; F60-P104 HydrophobicContact CD2-CB 3.66Å; F60-P104 HydrophobicContact CD2-CG 3.54Å; F60-P104 HydrophobicContact CE1-CB 3.99Å; F60-P104 HydrophobicContact CE1-CG 4.16Å; F60-P104 HydrophobicContact CE2-CB 3.44Å; F60-P104 VanDerWaalsContact CE2-CB 3.44Å; F60-P104 HydrophobicContact CE2-CG 3.89Å; F60-P104 HydrophobicContact CG-CB 3.99Å; F60-P104 HydrophobicContact CG-CG 3.47Å; F60-P104 VanDerWaalsContact CG-CG 3.47Å; F60-P104 HydrophobicContact CZ-CB 3.61Å; F60-P104 HydrophobicContact CZ-CG 4.18Å; Y94-P104 HydrophobicContact CD1-CB 4.19Å; Y94-P104 HydrophobicContact CE1-CB 4.27Å; I99-P104 HydrophobicContact CG1-CB 4.45Å; H102-P104 VanDerWaalsContact C-CD 3.43Å
105	K	87.5	Confident	83.4	Confident	130 Å²	130	73.2 Å²	73.2	57%	0.565	36%	0.358	S	S	*	.			trans	-115.1	126.4	171	-67.7	169.8	-166.6	148.1	0	108.9	Y94 D98 R103 L107	Y94-K105 VanDerWaalsContact CD1-O 3.28Å; Y94-K105 WeakPolarHBondContact CD1-O 3.32Å; D98-K105 IonicContact OD1-NZ 3.93Å; R103-K105 PolarHBondContact O-N 2.81Å; K105-L107 PolarHBondContact O-N 3.01Å; K105-L107 VanDerWaalsContact O-N 3.17Å
106	C	87.2	Confident	81.5	Confident	52 Å²	52	76.8 Å²	76.8	35%	0.351	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	115	170.7	-178.2	0	0	0	0	108.1	I93 Y94 N108	I93-C106 CarbonylContact O-C 3.47Å; I93-C106 WeakPolarHBondContact O-CA 3.25Å; Y94-C106 HydrophobicContact CD1-CB 4.45Å; Y94-C106 HydrophobicContact CE1-CB 3.81Å; C106-N108 PolarHBondContact SG-O 2.91Å
107	L	87.1	Confident	80	Confident	69 Å²	69	80.1 Å²	80.1	36%	0.361	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-48.8	179.5	176.7	64.9	0	0	0	111	W79 I93 H95 K105	W79-L107 HydrophobicContact CD2-CD2 4.41Å; W79-L107 HydrophobicContact CG-CD2 4.08Å; I93-L107 HydrophobicContact CB-CB 4.47Å; I93-L107 HydrophobicContact CG2-CB 3.99Å; I93-L107 HydrophobicContact CG2-CD2 3.82Å; I93-L107 HydrophobicContact CG2-CG 4.31Å; I93-L107 PolarHBondContact O-N 2.79Å; H95-L107 VanDerWaalsContact NE2-CD2 3.34Å; H95-L107 WeakPolarHBondContact NE2-CD2 3.25Å; K105-L107 PolarHBondContact O-N 3.01Å; K105-L107 VanDerWaalsContact O-N 3.17Å
108	N	87.6	Confident	78.2	Confident	68 Å²	68	77.6 Å²	77.6	36%	0.364	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	170.9	177.6	-149.2	-8.3	0	0	0	111.6	I93 C106 S155	I93-N108 WeakPolarHBondContact CB-O 3.38Å; I93-N108 HydrophobicContact CD1-CB 4.36Å; I93-N108 PolarHBondContact N-O 2.74Å; C106-N108 PolarHBondContact SG-O 2.91Å; N108-S155 WeakPolarHBondContact ND2-CB 3.35Å; N108-S155 PolarHBondContact ND2-OG 3.4Å
109	I	87.3	Confident	76.3	Confident	37 Å²	37	83 Å²	83	19%	0.19	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.9	178	-52.6	173	0	0	0	108.4	D90 V91 F92 R111	D90-I109 HydrophobicContact CB-CG2 3.69Å; V91-I109 WeakPolarHBondContact O-CA 2.87Å; F92-I109 HydrophobicContact CD1-CD1 3.89Å; F92-I109 HydrophobicContact CD1-CG1 3.83Å; F92-I109 HydrophobicContact CE1-CD1 3.46Å; F92-I109 VanDerWaalsContact CE1-CD1 3.46Å; F92-I109 HydrophobicContact CE1-CG1 3.92Å; F92-I109 HydrophobicContact CG-CG1 4.46Å; F92-I109 HydrophobicContact CZ-CD1 4.11Å; I109-R111 HydrophobicContact CG2-CG 3.83Å
110	L	87.9	Confident	74.4	Confident	0 Å²	0	87.9 Å²	87.9	0%	0	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.4	172.2	-50.9	178.7	0	0	0	108	L83 V91 I93 L138 W150 L152	L83-L110 HydrophobicContact CD2-CD1 3.94Å; V91-L110 HydrophobicContact CB-CB 4.06Å; V91-L110 HydrophobicContact CB-CD1 4.39Å; V91-L110 HydrophobicContact CG2-CB 4.45Å; V91-L110 PolarHBondContact N-O 3.42Å; V91-L110 PolarHBondContact O-N 3.49Å; I93-L110 HydrophobicContact CD1-CD1 4.24Å; I93-L110 HydrophobicContact CD1-CD2 3.89Å; I93-L110 HydrophobicContact CD1-CG 3.9Å; I93-L110 HydrophobicContact CG1-CG 4.46Å; L110-L138 HydrophobicContact CD1-CD2 3.65Å; L110-W150 HydrophobicContact CB-CD2 4Å; L110-W150 HydrophobicContact CB-CE3 3.79Å; L110-W150 HydrophobicContact CB-CH2 4.24Å; L110-W150 HydrophobicContact CB-CZ2 4.41Å; L110-W150 HydrophobicContact CB-CZ3 3.9Å; L110-W150 HydrophobicContact CD1-CB 3.92Å; L110-W150 HydrophobicContact CD1-CD2 3.93Å; L110-W150 HydrophobicContact CD1-CE3 4.32Å; L110-W150 HydrophobicContact CD1-CG 3.74Å; L110-W150 HydrophobicContact CD2-CE3 4.15Å; L110-W150 HydrophobicContact CG-CD2 4.39Å; L110-W150 HydrophobicContact CG-CE3 4.31Å; L110-L152 HydrophobicContact CD1-CD2 3.99Å
111	R	85.2	Confident	73	Confident	124 Å²	124	87.6 Å²	87.6	47%	0.468	48%	0.479	S	S	.	.			trans	-129.3	134.3	-179	-60.9	-161.1	164.7	91.2	0.7	110.1	D90 I109	D90-R111 VanDerWaalsContact OD1-CD 3.29Å; D90-R111 WeakPolarHBondContact OD1-CD 3.37Å; D90-R111 VanDerWaalsContact OD1-CG 3.26Å; D90-R111 WeakPolarHBondContact OD1-CG 3.21Å; D90-R111 IonicContact OD1-CZ 3.68Å; D90-R111 IonicContact OD1-NE 2.97Å; D90-R111 PolarHBondContact OD1-NE 2.77Å; D90-R111 IonicContact OD2-CZ 3.63Å; D90-R111 VanDerWaalsContact OD2-CZ 3.24Å; D90-R111 IonicContact OD2-NE 3.56Å; D90-R111 PolarHBondContact OD2-NE 2.88Å; D90-R111 IonicContact OD2-NH2 2.88Å; D90-R111 PolarHBondContact OD2-NH2 3.35Å; I109-R111 HydrophobicContact CG2-CG 3.83Å
112	S	78.1	Confident	71.8	Confident	37 Å²	37	84.6 Å²	84.6	26%	0.259	47%	0.469	S	S	.	.			trans	-74.8	134.7	167.7	-169	0	0	0	0	109.9	S114 Y148	S112-S114 PolarHBondContact O-N 2.91Å; S112-S114 PolarHBondContact OG-N 3.34Å; S112-S114 PolarHBondContact OG-OG 2.78Å; S112-Y148 VanDerWaalsContact OG-CE1 3.31Å; S112-Y148 WeakPolarHBondContact OG-CE1 3.45Å; S112-Y148 PolarHBondContact OG-OH 2.97Å
113	E	68.7	Low	71.2	Confident	173 Å²	173	81.5 Å²	81.5	81%	0.808	46%	0.456	S	S	*	.			trans	-80.3	4.5	174.2	-66.2	-177.7	-176	0	0	112	K156	E113-K156 IonicContact OE1-NZ 3.05Å
114	S	59	Low	70.7	Confident	38 Å²	38	74.9 Å²	74.9	27%	0.266	43%	0.432	S	S	.	.			trans	-94	128.7	-171.3	60.9	0	0	0	0	115.8	S112 Y148	S112-S114 PolarHBondContact O-N 2.91Å; S112-S114 PolarHBondContact OG-N 3.34Å; S112-S114 PolarHBondContact OG-OG 2.78Å; S114-Y148 PolarHBondContact OG-OH 2.88Å
115	V	54.2	Low	70.6	Confident	121 Å²	121	73.5 Å²	73.5	73%	0.733	42%	0.423	S	S	*	.			trans	43.3	127.1	154.8	-166.2	0	0	0	0	118.4	S117	V115-S117 PolarHBondContact O-N 2.96Å
116	P	48.2	Very low	70.6	Confident	119 Å²	119	68.6 Å²	68.6	77%	0.773	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-56.6	134.5	-178.7	23	-33.2	0	0	0	111.5	S118	P116-S118 PolarHBondContact O-N 2.97Å; P116-S118 VanDerWaalsContact O-N 3.15Å
117	S	53.1	Low	70.8	Confident	82 Å²	82	66.3 Å²	66.3	57%	0.573	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-46.1	119.3	176	46.1	0	0	0	0	110.7	V115	V115-S117 PolarHBondContact O-N 2.96Å
118	S	49.5	Very low	71	Confident	68 Å²	68	63.7 Å²	63.7	48%	0.476	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-74	138.3	160.4	178.9	0	0	0	0	107.4	P116 C120 C121	P116-S118 PolarHBondContact O-N 2.97Å; P116-S118 VanDerWaalsContact O-N 3.15Å; S118-C120 PolarHBondContact O-N 2.8Å; S118-C121 PolarHBondContact O-N 2.79Å
119	P	49.7	Very low	71.2	Confident	138 Å²	138	60.8 Å²	60.8	90%	0.896	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-21.4	174.5	-24.6	31.9	0	0	0	114.5
120	C	48.8	Very low	71.3	Confident	105 Å²	105	60.5 Å²	60.5	71%	0.709	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-19.9	177.7	-99.2	0	0	0	0	114.9	S118	S118-C120 PolarHBondContact O-N 2.8Å
121	C	54.8	Low	71.3	Confident	56 Å²	56	60.7 Å²	60.7	38%	0.378	36%	0.358	S	S	.	.	S	Bend	trans	-134.8	91.1	-172.6	-56.6	0	0	0	0	109	S118	S118-C121 PolarHBondContact O-N 2.79Å
122	P	64.8	Low	71.3	Confident	46 Å²	46	58.4 Å²	58.4	30%	0.299	37%	0.366	S	S	.	.			trans	-62.9	145.1	173.9	30.3	-28.4	0	0	0	109.2	E124 G143 Y167	P122-E124 HydrophobicContact CG-CG 4.49Å; P122-E124 PolarHBondContact O-N 3.45Å; P122-G143 CarbonylContact O-C 3.36Å; P122-G143 WeakPolarHBondContact O-CA 3.39Å; P122-Y167 WeakPolarHBondContact CD-OH 3.48Å; P122-Y167 HydrophobicContact CG-CE1 3.83Å
123	L	76.7	Confident	71.6	Confident	44 Å²	44	61.1 Å²	61.1	23%	0.23	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-83.8	39.9	-178.6	-62.7	174.7	0	0	0	110.7	T86 G89 D144	T86-L123 VanDerWaalsContact O-O 3.11Å; G89-L123 WeakPolarHBondContact CA-O 3.42Å; G89-L123 PolarHBondContact N-O 3.45Å; L123-D144 HydrophobicContact CD2-CB 3.9Å
124	E	81	Confident	72.3	Confident	29 Å²	29	54.5 Å²	54.5	14%	0.136	34%	0.343	C	S	.	.			trans	-65.9	144.4	177.3	57.8	-176.6	-153.4	0	0	111.1	Y68 P122 N126 G142 G143 Y167	Y68-E124 HydrophobicContact CD2-CB 4.12Å; Y68-E124 HydrophobicContact CE2-CB 4.08Å; P122-E124 HydrophobicContact CG-CG 4.49Å; P122-E124 PolarHBondContact O-N 3.45Å; E124-N126 VanDerWaalsContact CD-OD1 3.27Å; E124-N126 VanDerWaalsContact CG-OD1 3.28Å; E124-N126 WeakPolarHBondContact CG-OD1 3.28Å; E124-N126 PolarHBondContact OE1-ND2 3.4Å; E124-N126 PolarHBondContact OE1-OD1 2.84Å; E124-G142 CarbonylContact O-C 3.04Å; E124-G142 VanDerWaalsContact O-CA 3.26Å; E124-G142 WeakPolarHBondContact O-CA 3.49Å; E124-G143 PolarHBondContact O-N 3.16Å; E124-Y167 HydrophobicContact CG-CD1 4.36Å; E124-Y167 HydrophobicContact CG-CE1 4.38Å; E124-Y167 VanDerWaalsContact OE1-CD1 3.26Å; E124-Y167 WeakPolarHBondContact OE1-CD1 3.42Å
125	V	86.9	Confident	73.3	Confident	8 Å²	8	56.4 Å²	56.4	5%	0.048	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	107.1	169.5	-173.9	0	0	0	0	107.6	G85 V91 L128	G85-V125 VanDerWaalsContact CA-CB 3.46Å; G85-V125 WeakPolarHBondContact CA-O 3.44Å; V91-V125 HydrophobicContact CG2-CG1 4.45Å; V91-V125 HydrophobicContact CG2-CG2 4.12Å; V125-L128 HydrophobicContact CG1-CD2 4.18Å; V125-L128 HydrophobicContact CG1-CG 4.41Å
126	N	87.1	Confident	74.8	Confident	26 Å²	26	52.4 Å²	52.4	14%	0.139	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-22.3	-173.2	-63.3	-18.6	0	0	0	111.8	E124 A141 I168	E124-N126 VanDerWaalsContact CD-OD1 3.27Å; E124-N126 VanDerWaalsContact CG-OD1 3.28Å; E124-N126 WeakPolarHBondContact CG-OD1 3.28Å; E124-N126 PolarHBondContact OE1-ND2 3.4Å; E124-N126 PolarHBondContact OE1-OD1 2.84Å; N126-A141 PolarHBondContact N-O 2.79Å; N126-I168 WeakPolarHBondContact CB-O 3.18Å
127	A	90.8	Very high	76.7	Confident	5 Å²	5	46.8 Å²	46.8	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	140	-176.1	0	0	0	0	0	112.4	S140 A141 L171	A127-S140 WeakPolarHBondContact O-CA 3.41Å; A127-A141 PolarHBondContact N-O 3.47Å; A127-A141 PolarHBondContact O-N 3.49Å; A127-A141 VanDerWaalsContact O-N 3.08Å; A127-L171 HydrophobicContact CB-CB 4.05Å; A127-L171 HydrophobicContact CB-CD1 3.88Å; A127-L171 HydrophobicContact CB-CG 3.67Å
128	L	92.1	Very high	78.5	Confident	13 Å²	13	42.9 Å²	42.9	7%	0.068	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.7	171.3	-68.5	164.9	0	0	0	108.8	A69 Q71 L83 V91 V125 L138 Y139	A69-L128 HydrophobicContact CB-CB 4.22Å; A69-L128 HydrophobicContact CB-CD1 3.62Å; A69-L128 HydrophobicContact CB-CG 3.75Å; Q71-L128 HydrophobicContact CB-CB 3.79Å; Q71-L128 HydrophobicContact CB-CD1 4.35Å; L83-L128 HydrophobicContact CB-CD1 3.3Å; L83-L128 HydrophobicContact CB-CD2 4.11Å; L83-L128 HydrophobicContact CB-CG 4.32Å; L83-L128 WeakPolarHBondContact O-CD1 3.36Å; V91-L128 HydrophobicContact CG1-CD1 4.37Å; V91-L128 HydrophobicContact CG1-CD2 3.82Å; V125-L128 HydrophobicContact CG1-CD2 4.18Å; V125-L128 HydrophobicContact CG1-CG 4.41Å; L128-L138 HydrophobicContact CD2-CD1 4.48Å; L128-L138 HydrophobicContact CD2-CD2 4.15Å; L128-Y139 WeakPolarHBondContact CA-O 3.48Å
129	A	92	Very high	80.5	Confident	8 Å²	8	39.7 Å²	39.7	7%	0.066	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	134.3	175	0	0	0	0	0	110.7	Y139 L171 V173	A129-Y139 PolarHBondContact N-O 2.81Å; A129-Y139 PolarHBondContact O-N 2.82Å; A129-L171 HydrophobicContact CB-CB 3.67Å; A129-V173 HydrophobicContact CB-CG2 3.85Å
130	F	89.1	Confident	82.5	Confident	31 Å²	31	33.2 Å²	33.2	14%	0.136	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.9	-180	173.5	-117.7	0	0	0	110.6	Q71 V73 A132 P135 C137	Q71-F130 HydrophobicContact CG-CB 3.85Å; V73-F130 HydrophobicContact CB-CD2 4.38Å; V73-F130 HydrophobicContact CB-CE2 4.3Å; V73-F130 HydrophobicContact CB-CZ 4.43Å; V73-F130 HydrophobicContact CG1-CD2 4.03Å; V73-F130 HydrophobicContact CG1-CE1 4.13Å; V73-F130 HydrophobicContact CG1-CE2 3.48Å; V73-F130 VanDerWaalsContact CG1-CE2 3.48Å; V73-F130 HydrophobicContact CG1-CZ 3.54Å; V73-F130 HydrophobicContact CG2-CB 4.31Å; V73-F130 HydrophobicContact CG2-CD1 4.41Å; V73-F130 HydrophobicContact CG2-CD2 3.64Å; V73-F130 HydrophobicContact CG2-CE2 4.01Å; V73-F130 HydrophobicContact CG2-CG 3.86Å; F130-A132 HydrophobicContact CE1-CB 4.49Å; F130-P135 WeakPolarHBondContact CE2-O 3.31Å; F130-P135 HydrophobicContact CZ-CB 4.19Å; F130-C137 WeakPolarHBondContact CD2-O 3.42Å
131	D	88.5	Confident	84.6	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.016	17%	0.168	C	C	.	.			trans	-90.1	101.7	172.9	-173.1	-19.8	0	0	0	109.9	Q133 K134 C137 Y139 V173 R193	D131-Q133 PolarHBondContact O-N 2.76Å; D131-Q133 VanDerWaalsContact O-N 3.11Å; D131-Q133 WeakPolarHBondContact OD1-CA 3.34Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.32Å; D131-Q133 PolarHBondContact OD1-N 3Å; D131-K134 HydrophobicContact CB-CB 4.16Å; D131-K134 CarbonylContact O-C 2.84Å; D131-K134 PolarHBondContact O-N 3.24Å; D131-K134 VanDerWaalsContact O-O 3.06Å; D131-K134 PolarHBondContact OD1-N 2.86Å; D131-C137 HydrophobicContact CB-CB 4.28Å; D131-C137 PolarHBondContact N-O 2.94Å; D131-Y139 HydrophobicContact CB-CE2 4.2Å; D131-V173 HydrophobicContact CB-CG1 4.12Å; D131-R193 IonicContact OD1-NH1 2.96Å; D131-R193 PolarHBondContact OD1-NH1 3.01Å; D131-R193 VanDerWaalsContact OD2-CD 3.25Å; D131-R193 WeakPolarHBondContact OD2-CD 3.38Å; D131-R193 IonicContact OD2-NH1 3.53Å; D131-R193 PolarHBondContact OD2-NH1 3.07Å
132	A	83.7	Confident	86.2	Confident	76 Å²	76	25.7 Å²	25.7	63%	0.628	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.8	179.8	0	0	0	0	0	113.7	F130	F130-A132 HydrophobicContact CE1-CB 4.49Å
133	Q	84.7	Confident	87.1	Confident	94 Å²	94	23.5 Å²	23.5	44%	0.439	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-13.8	178.2	-64.1	-177.1	2.8	0	0	113.2	D131 D175 R193	D131-Q133 PolarHBondContact O-N 2.76Å; D131-Q133 VanDerWaalsContact O-N 3.11Å; D131-Q133 WeakPolarHBondContact OD1-CA 3.34Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.32Å; D131-Q133 PolarHBondContact OD1-N 3Å; Q133-D175 PolarHBondContact NE2-O 3.46Å; Q133-D175 PolarHBondContact OE1-O 3.5Å; Q133-D175 VanDerWaalsContact OE1-O 3.06Å; Q133-R193 VanDerWaalsContact CB-NH1 3.3Å
134	K	83.6	Confident	87.6	Confident	35 Å²	35	23.3 Å²	23.3	15%	0.152	14%	0.135	C	C	.	.	S	Bend	trans	-127.8	83.9	174.9	-169.3	179.1	178.8	-168.8	0	108.5	D131 N136 C137 N194	D131-K134 HydrophobicContact CB-CB 4.16Å; D131-K134 CarbonylContact O-C 2.84Å; D131-K134 PolarHBondContact O-N 3.24Å; D131-K134 VanDerWaalsContact O-O 3.06Å; D131-K134 PolarHBondContact OD1-N 2.86Å; K134-N136 PolarHBondContact O-N 2.98Å; K134-C137 HydrophobicContact CB-CB 3.95Å; K134-C137 HydrophobicContact CD-CB 3.61Å; K134-C137 HydrophobicContact CG-CB 3.69Å; K134-C137 WeakPolarHBondContact O-CB 3.35Å; K134-C137 PolarHBondContact O-N 3.08Å; K134-N194 PolarHBondContact NZ-O 3.05Å
135	P	79.9	Confident	88.1	Confident	78 Å²	78	23 Å²	23	51%	0.506	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.6	-166.6	23.6	-34.7	0	0	0	115.5	F130	F130-P135 WeakPolarHBondContact CE2-O 3.31Å; F130-P135 HydrophobicContact CZ-CB 4.19Å
136	N	86.1	Confident	88.2	Confident	37 Å²	37	23.4 Å²	23.4	20%	0.198	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	10.2	174.2	-62.9	-0.6	0	0	0	112.6	K134 D151 L152 E153 R197	K134-N136 PolarHBondContact O-N 2.98Å; N136-D151 CarbonylContact O-C 3.55Å; N136-D151 WeakPolarHBondContact O-CA 2.94Å; N136-L152 PolarHBondContact O-N 2.96Å; N136-E153 PolarHBondContact ND2-OE2 2.96Å; N136-R197 PolarHBondContact ND2-NH2 3.11Å
137	C	88.4	Confident	88.5	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.4	-175.7	-169.6	0	0	0	0	111.7	F130 D131 K134 S149 W150	F130-C137 WeakPolarHBondContact CD2-O 3.42Å; D131-C137 HydrophobicContact CB-CB 4.28Å; D131-C137 PolarHBondContact N-O 2.94Å; K134-C137 HydrophobicContact CB-CB 3.95Å; K134-C137 HydrophobicContact CD-CB 3.61Å; K134-C137 HydrophobicContact CG-CB 3.69Å; K134-C137 WeakPolarHBondContact O-CB 3.35Å; K134-C137 PolarHBondContact O-N 3.08Å; C137-S149 PolarHBondContact SG-OG 2.79Å; C137-W150 WeakPolarHBondContact CA-O 3.43Å
138	L	90.4	Very high	88.5	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.3	172.4	177.1	78.7	0	0	0	109.4	Q71 L83 L110 L128 W150 L152	Q71-L138 HydrophobicContact CG-CD1 4.4Å; L83-L138 HydrophobicContact CD1-CD1 3.4Å; L83-L138 VanDerWaalsContact CD1-CD1 3.4Å; L83-L138 HydrophobicContact CD1-CD2 3.29Å; L83-L138 HydrophobicContact CD1-CG 3.93Å; L83-L138 HydrophobicContact CD2-CD2 3.53Å; L83-L138 HydrophobicContact CG-CD2 4Å; L110-L138 HydrophobicContact CD1-CD2 3.65Å; L128-L138 HydrophobicContact CD2-CD1 4.48Å; L128-L138 HydrophobicContact CD2-CD2 4.15Å; L138-W150 HydrophobicContact CB-CB 4.37Å; L138-W150 PolarHBondContact N-O 3.08Å; L138-W150 VanDerWaalsContact N-O 3.1Å; L138-W150 PolarHBondContact O-N 2.79Å; L138-L152 HydrophobicContact CB-CD1 4.19Å; L138-L152 HydrophobicContact CB-CD2 3.74Å; L138-L152 HydrophobicContact CB-CG 4.04Å; L138-L152 HydrophobicContact CD2-CD2 4.06Å
139	Y	92.3	Very high	88.4	Confident	1 Å²	1	21.9 Å²	21.9	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.3	167.1	-58.7	-83.7	0	0	0	110.9	L128 A129 D131 V147 Y148 V173 V179 F191 R193	L128-Y139 WeakPolarHBondContact CA-O 3.48Å; A129-Y139 PolarHBondContact N-O 2.81Å; A129-Y139 PolarHBondContact O-N 2.82Å; D131-Y139 HydrophobicContact CB-CE2 4.2Å; Y139-V147 HydrophobicContact CD1-CG1 4.48Å; Y139-Y148 WeakPolarHBondContact CA-O 3.38Å; Y139-V173 HydrophobicContact CD2-CG2 3.64Å; Y139-V173 HydrophobicContact CE2-CG2 3.89Å; Y139-V179 HydrophobicContact CD1-CG1 4.09Å; Y139-V179 HydrophobicContact CD2-CG1 4.14Å; Y139-V179 HydrophobicContact CD2-CG2 4.3Å; Y139-V179 HydrophobicContact CE1-CG1 4.3Å; Y139-V179 HydrophobicContact CE1-CG2 3.91Å; Y139-V179 HydrophobicContact CE2-CG1 4.35Å; Y139-V179 HydrophobicContact CE2-CG2 3.68Å; Y139-V179 HydrophobicContact CG-CG1 4Å; Y139-V179 VanDerWaalsContact CZ-CG2 3.46Å; Y139-F191 HydrophobicContact CD1-CE2 4.31Å; Y139-F191 HydrophobicContact CE1-CE2 4.17Å; Y139-R193 VanDerWaalsContact OH-CB 3.22Å; Y139-R193 WeakPolarHBondContact OH-CB 3.24Å
140	S	91.7	Very high	88.3	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.6	171.3	76.8	0	0	0	0	111	A127 Y148 W150	A127-S140 WeakPolarHBondContact O-CA 3.41Å; S140-Y148 PolarHBondContact N-O 3.02Å; S140-Y148 VanDerWaalsContact N-O 3.07Å; S140-Y148 PolarHBondContact O-N 3.08Å; S140-W150 PolarHBondContact OG-NE1 2.97Å
141	A	91.4	Very high	88.2	Confident	2 Å²	2	20.4 Å²	20.4	2%	0.017	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	159.8	176.8	0	0	0	0	0	111.3	N126 A127 I146 V147 I168 L171	N126-A141 PolarHBondContact N-O 2.79Å; A127-A141 PolarHBondContact N-O 3.47Å; A127-A141 PolarHBondContact O-N 3.49Å; A127-A141 VanDerWaalsContact O-N 3.08Å; A141-I146 WeakPolarHBondContact CA-O 3.19Å; A141-V147 HydrophobicContact CB-CG1 4.48Å; A141-V147 HydrophobicContact CB-CG2 4.12Å; A141-I168 HydrophobicContact CB-CB 3.76Å; A141-I168 HydrophobicContact CB-CD1 3.82Å; A141-I168 HydrophobicContact CB-CG1 4.4Å; A141-I168 HydrophobicContact CB-CG2 3.51Å; A141-L171 HydrophobicContact CB-CD1 3.85Å; A141-L171 HydrophobicContact CB-CD2 4.17Å; A141-L171 HydrophobicContact CB-CG 4.1Å
142	G	88.2	Confident	88.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-135.4	-180	0	0	0	0	0	114.2	E124 D144 C145 I168	E124-G142 CarbonylContact O-C 3.04Å; E124-G142 VanDerWaalsContact O-CA 3.26Å; E124-G142 WeakPolarHBondContact O-CA 3.49Å; G142-D144 VanDerWaalsContact C-N 3.3Å; G142-D144 PolarHBondContact O-N 2.84Å; G142-C145 PolarHBondContact O-N 2.77Å; G142-C145 VanDerWaalsContact O-N 3.13Å; G142-I168 WeakPolarHBondContact CA-O 3.38Å; G142-I168 PolarHBondContact O-N 3.1Å
143	G	85.6	Confident	88.2	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.1	-168.2	0	0	0	0	0	116.1	P122 E124	P122-G143 CarbonylContact O-C 3.36Å; P122-G143 WeakPolarHBondContact O-CA 3.39Å; E124-G143 PolarHBondContact O-N 3.16Å
144	D	86.1	Confident	88.4	Confident	41 Å²	41	20.1 Å²	20.1	22%	0.219	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	0.5	171.2	75.2	-12.9	0	0	0	113.5	L123 G142 I146 Y148	L123-D144 HydrophobicContact CD2-CB 3.9Å; G142-D144 VanDerWaalsContact C-N 3.3Å; G142-D144 PolarHBondContact O-N 2.84Å; D144-I146 WeakPolarHBondContact O-CG1 3.39Å; D144-I146 PolarHBondContact O-N 2.8Å; D144-I146 PolarHBondContact OD1-N 3.1Å; D144-I146 VanDerWaalsContact OD1-N 3.14Å; D144-Y148 WeakPolarHBondContact OD2-CE2 3.5Å; D144-Y148 VanDerWaalsContact OD2-CZ 3.24Å; D144-Y148 PolarHBondContact OD2-OH 2.9Å
145	C	90.8	Very high	88.5	Confident	22 Å²	22	19.2 Å²	19.2	15%	0.149	11%	0.109	C	C	.	.			trans	65.2	17.5	177	-43.7	0	0	0	0	114	G142 H164 N166 I168	G142-C145 PolarHBondContact O-N 2.77Å; G142-C145 VanDerWaalsContact O-N 3.13Å; C145-H164 HydrophobicContact CB-CB 4.33Å; C145-H164 WeakPolarHBondContact CB-O 3.41Å; C145-N166 VanDerWaalsContact SG-CA 3.57Å; C145-N166 PolarHBondContact SG-O 2.97Å; C145-N166 VanDerWaalsContact SG-O 3.32Å; C145-I168 VanDerWaalsContact C-CD1 3.48Å
146	I	90.4	Very high	88.9	Confident	17 Å²	17	21.3 Å²	21.3	9%	0.087	11%	0.11	C	C	.	.			trans	-112.3	133.8	-177.4	-60.1	171.9	0	0	0	109.7	A141 D144 Y148 Q160 K162	A141-I146 WeakPolarHBondContact CA-O 3.19Å; D144-I146 WeakPolarHBondContact O-CG1 3.39Å; D144-I146 PolarHBondContact O-N 2.8Å; D144-I146 PolarHBondContact OD1-N 3.1Å; D144-I146 VanDerWaalsContact OD1-N 3.14Å; I146-Y148 HydrophobicContact CB-CD2 4.26Å; I146-Y148 HydrophobicContact CB-CE2 3.63Å; I146-Y148 HydrophobicContact CG2-CD1 4.29Å; I146-Y148 HydrophobicContact CG2-CD2 3.95Å; I146-Y148 HydrophobicContact CG2-CE1 3.98Å; I146-Y148 HydrophobicContact CG2-CE2 3.63Å; I146-Y148 HydrophobicContact CG2-CG 4.27Å; I146-Q160 HydrophobicContact CG2-CB 3.9Å; I146-Q160 HydrophobicContact CG2-CG 4.41Å; I146-K162 HydrophobicContact CD1-CD 3.99Å; I146-K162 HydrophobicContact CD1-CG 4.08Å; I146-K162 HydrophobicContact CG1-CB 4.48Å; I146-K162 HydrophobicContact CG1-CD 4.35Å; I146-K162 HydrophobicContact CG1-CG 3.93Å; I146-K162 HydrophobicContact CG2-CG 4.27Å
147	V	92.4	Very high	89	Confident	2 Å²	2	21 Å²	21	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.5	163.6	-168.9	0	0	0	0	109.6	Y139 A141 Q160 R161 I168 L171 F191	Y139-V147 HydrophobicContact CD1-CG1 4.48Å; A141-V147 HydrophobicContact CB-CG1 4.48Å; A141-V147 HydrophobicContact CB-CG2 4.12Å; V147-Q160 WeakPolarHBondContact O-CA 3.27Å; V147-R161 HydrophobicContact CB-CB 4.12Å; V147-R161 HydrophobicContact CB-CG 4.47Å; V147-R161 PolarHBondContact N-O 2.73Å; V147-R161 VanDerWaalsContact N-O 3.11Å; V147-R161 PolarHBondContact O-N 3.32Å; V147-I168 HydrophobicContact CG2-CD1 3.71Å; V147-L171 HydrophobicContact CG1-CD2 3.89Å; V147-L171 HydrophobicContact CG2-CD2 4.24Å; V147-F191 HydrophobicContact CB-CE1 4.37Å; V147-F191 HydrophobicContact CB-CZ 4.02Å; V147-F191 HydrophobicContact CG1-CE1 4.3Å; V147-F191 HydrophobicContact CG1-CE2 4.28Å; V147-F191 HydrophobicContact CG1-CZ 3.54Å; V147-F191 HydrophobicContact CG2-CE1 4.19Å; V147-F191 HydrophobicContact CG2-CZ 4.26Å
148	Y	90.4	Very high	89	Confident	8 Å²	8	21.2 Å²	21.2	3%	0.031	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	140.3	174.9	-64.5	-90.9	0	0	0	110.3	S112 S114 Y139 S140 D144 I146 W150 I157 Q160	S112-Y148 VanDerWaalsContact OG-CE1 3.31Å; S112-Y148 WeakPolarHBondContact OG-CE1 3.45Å; S112-Y148 PolarHBondContact OG-OH 2.97Å; S114-Y148 PolarHBondContact OG-OH 2.88Å; Y139-Y148 WeakPolarHBondContact CA-O 3.38Å; S140-Y148 PolarHBondContact N-O 3.02Å; S140-Y148 VanDerWaalsContact N-O 3.07Å; S140-Y148 PolarHBondContact O-N 3.08Å; D144-Y148 WeakPolarHBondContact OD2-CE2 3.5Å; D144-Y148 VanDerWaalsContact OD2-CZ 3.24Å; D144-Y148 PolarHBondContact OD2-OH 2.9Å; I146-Y148 HydrophobicContact CB-CD2 4.26Å; I146-Y148 HydrophobicContact CB-CE2 3.63Å; I146-Y148 HydrophobicContact CG2-CD1 4.29Å; I146-Y148 HydrophobicContact CG2-CD2 3.95Å; I146-Y148 HydrophobicContact CG2-CE1 3.98Å; I146-Y148 HydrophobicContact CG2-CE2 3.63Å; I146-Y148 HydrophobicContact CG2-CG 4.27Å; Y148-W150 HydrophobicContact CD1-CH2 4.31Å; Y148-W150 AromaticContact CD1-CZ2 3.86Å; Y148-W150 HydrophobicContact CD1-CZ2 3.86Å; Y148-W150 HydrophobicContact CD2-CZ2 4.34Å; Y148-W150 AromaticContact CG-CZ2 3.72Å; Y148-W150 HydrophobicContact CG-CZ2 3.72Å; Y148-I157 HydrophobicContact CD1-CD1 3.9Å; Y148-I157 HydrophobicContact CD1-CG1 4.26Å; Y148-I157 HydrophobicContact CD1-CG2 4.27Å; Y148-I157 HydrophobicContact CE1-CD1 3.97Å; Y148-Q160 HydrophobicContact CD1-CG 3.83Å; Y148-Q160 HydrophobicContact CE1-CG 3.82Å
149	S	91.3	Very high	88.9	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.7	162.2	178.5	0	0	0	0	107.8	C137 I157 Q158 S159	C137-S149 PolarHBondContact SG-OG 2.79Å; S149-I157 CarbonylContact O-C 3.42Å; S149-Q158 PolarHBondContact O-N 2.86Å; S149-S159 WeakPolarHBondContact CB-OG 3.34Å; S149-S159 PolarHBondContact N-O 2.76Å; S149-S159 PolarHBondContact O-N 3.46Å
150	W	89.3	Confident	88.7	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.4	-177.2	-55.4	92.6	0	0	0	110.5	L110 C137 L138 S140 Y148 I157	L110-W150 HydrophobicContact CB-CD2 4Å; L110-W150 HydrophobicContact CB-CE3 3.79Å; L110-W150 HydrophobicContact CB-CH2 4.24Å; L110-W150 HydrophobicContact CB-CZ2 4.41Å; L110-W150 HydrophobicContact CB-CZ3 3.9Å; L110-W150 HydrophobicContact CD1-CB 3.92Å; L110-W150 HydrophobicContact CD1-CD2 3.93Å; L110-W150 HydrophobicContact CD1-CE3 4.32Å; L110-W150 HydrophobicContact CD1-CG 3.74Å; L110-W150 HydrophobicContact CD2-CE3 4.15Å; L110-W150 HydrophobicContact CG-CD2 4.39Å; L110-W150 HydrophobicContact CG-CE3 4.31Å; C137-W150 WeakPolarHBondContact CA-O 3.43Å; L138-W150 HydrophobicContact CB-CB 4.37Å; L138-W150 PolarHBondContact N-O 3.08Å; L138-W150 VanDerWaalsContact N-O 3.1Å; L138-W150 PolarHBondContact O-N 2.79Å; S140-W150 PolarHBondContact OG-NE1 2.97Å; Y148-W150 HydrophobicContact CD1-CH2 4.31Å; Y148-W150 AromaticContact CD1-CZ2 3.86Å; Y148-W150 HydrophobicContact CD1-CZ2 3.86Å; Y148-W150 HydrophobicContact CD2-CZ2 4.34Å; Y148-W150 AromaticContact CG-CZ2 3.72Å; Y148-W150 HydrophobicContact CG-CZ2 3.72Å; W150-I157 HydrophobicContact CD2-CG1 4.4Å; W150-I157 HydrophobicContact CE3-CG1 3.66Å; W150-I157 HydrophobicContact CH2-CD1 3.83Å; W150-I157 HydrophobicContact CH2-CG1 3.57Å; W150-I157 HydrophobicContact CZ2-CG1 4.32Å; W150-I157 HydrophobicContact CZ3-CB 4.49Å; W150-I157 HydrophobicContact CZ3-CD1 3.92Å; W150-I157 HydrophobicContact CZ3-CG1 3.21Å
151	D	88	Confident	88.7	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.5	161.9	-170.8	-66.3	0	0	0	108.2	N136 E153 T154 S155 K156 Q158	N136-D151 CarbonylContact O-C 3.55Å; N136-D151 WeakPolarHBondContact O-CA 2.94Å; D151-E153 VanDerWaalsContact C-N 3.34Å; D151-E153 WeakPolarHBondContact OD1-CB 3.45Å; D151-E153 PolarHBondContact OD1-N 3.18Å; D151-E153 VanDerWaalsContact OD1-N 3.1Å; D151-T154 VanDerWaalsContact CB-OG1 3.24Å; D151-T154 WeakPolarHBondContact CB-OG1 3.44Å; D151-T154 PolarHBondContact OD1-N 2.97Å; D151-T154 PolarHBondContact OD1-OG1 3.25Å; D151-S155 WeakPolarHBondContact O-CA 3.45Å; D151-S155 PolarHBondContact O-N 2.83Å; D151-K156 PolarHBondContact N-O 3.35Å; D151-K156 PolarHBondContact O-N 2.97Å; D151-Q158 HydrophobicContact CB-CG 3.76Å; D151-Q158 PolarHBondContact OD2-NE2 2.84Å
152	L	86.2	Confident	88.6	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-30.4	-177.2	-66.2	179.2	0	0	0	112.8	I93 L110 N136 L138 S155	I93-L152 HydrophobicContact CD1-CD2 4.16Å; L110-L152 HydrophobicContact CD1-CD2 3.99Å; N136-L152 PolarHBondContact O-N 2.96Å; L138-L152 HydrophobicContact CB-CD1 4.19Å; L138-L152 HydrophobicContact CB-CD2 3.74Å; L138-L152 HydrophobicContact CB-CG 4.04Å; L138-L152 HydrophobicContact CD2-CD2 4.06Å; L152-S155 PolarHBondContact O-OG 2.76Å
153	E	85.9	Confident	88.8	Confident	90 Å²	90	33.4 Å²	33.4	42%	0.421	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-45.1	-179.5	-177.9	-175.5	175.5	0	0	111	N136 D151 R197	N136-E153 PolarHBondContact ND2-OE2 2.96Å; D151-E153 VanDerWaalsContact C-N 3.34Å; D151-E153 WeakPolarHBondContact OD1-CB 3.45Å; D151-E153 PolarHBondContact OD1-N 3.18Å; D151-E153 VanDerWaalsContact OD1-N 3.1Å; E153-R197 IonicContact OE1-NH1 3.61Å; E153-R197 IonicContact OE2-CZ 3.82Å; E153-R197 VanDerWaalsContact OE2-CZ 3.25Å; E153-R197 IonicContact OE2-NH1 3.62Å; E153-R197 PolarHBondContact OE2-NH1 3.13Å; E153-R197 IonicContact OE2-NH2 2.7Å; E153-R197 PolarHBondContact OE2-NH2 2.83Å
154	T	87.5	Confident	89.2	Confident	76 Å²	76	34 Å²	34	47%	0.466	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-14.3	178.8	60	0	0	0	0	113.2	D151 K156	D151-T154 VanDerWaalsContact CB-OG1 3.24Å; D151-T154 WeakPolarHBondContact CB-OG1 3.44Å; D151-T154 PolarHBondContact OD1-N 2.97Å; D151-T154 PolarHBondContact OD1-OG1 3.25Å; T154-K156 PolarHBondContact O-N 3.19Å
155	S	87.3	Confident	89.6	Confident	17 Å²	17	37.8 Å²	37.8	12%	0.119	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	38	-173.1	-60.4	0	0	0	0	113	N108 D151 L152	N108-S155 WeakPolarHBondContact ND2-CB 3.35Å; N108-S155 PolarHBondContact ND2-OG 3.4Å; D151-S155 WeakPolarHBondContact O-CA 3.45Å; D151-S155 PolarHBondContact O-N 2.83Å; L152-S155 PolarHBondContact O-OG 2.76Å
156	K	88	Confident	89.7	Confident	121 Å²	121	39.6 Å²	39.6	53%	0.526	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	153.1	179.5	-67.7	-58.9	-174.4	179.8	0	111.3	E113 D151 T154 Q158	E113-K156 IonicContact OE1-NZ 3.05Å; D151-K156 PolarHBondContact N-O 3.35Å; D151-K156 PolarHBondContact O-N 2.97Å; T154-K156 PolarHBondContact O-N 3.19Å; K156-Q158 PolarHBondContact O-N 2.84Å
157	I	87.6	Confident	89.7	Confident	32 Å²	32	41.4 Å²	41.4	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.7	174.9	-60.6	172	0	0	0	108.6	Y148 S149 W150 S159 Q160	Y148-I157 HydrophobicContact CD1-CD1 3.9Å; Y148-I157 HydrophobicContact CD1-CG1 4.26Å; Y148-I157 HydrophobicContact CD1-CG2 4.27Å; Y148-I157 HydrophobicContact CE1-CD1 3.97Å; S149-I157 CarbonylContact O-C 3.42Å; W150-I157 HydrophobicContact CD2-CG1 4.4Å; W150-I157 HydrophobicContact CE3-CG1 3.66Å; W150-I157 HydrophobicContact CH2-CD1 3.83Å; W150-I157 HydrophobicContact CH2-CG1 3.57Å; W150-I157 HydrophobicContact CZ2-CG1 4.32Å; W150-I157 HydrophobicContact CZ3-CB 4.49Å; W150-I157 HydrophobicContact CZ3-CD1 3.92Å; W150-I157 HydrophobicContact CZ3-CG1 3.21Å; I157-S159 WeakPolarHBondContact CG2-O 3.35Å; I157-Q160 HydrophobicContact CG2-CG 3.72Å
158	Q	87.8	Confident	89.7	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.019	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-37.5	170.1	-67.5	-172.9	-17.8	0	0	111.4	S149 D151 K156 I199	S149-Q158 PolarHBondContact O-N 2.86Å; D151-Q158 HydrophobicContact CB-CG 3.76Å; D151-Q158 PolarHBondContact OD2-NE2 2.84Å; K156-Q158 PolarHBondContact O-N 2.84Å; Q158-I199 WeakPolarHBondContact O-CA 3.37Å
159	S	89	Confident	89.8	Confident	7 Å²	7	43.3 Å²	43.3	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	160	175.6	72.9	0	0	0	0	112.8	S149 I157 N194	S149-S159 WeakPolarHBondContact CB-OG 3.34Å; S149-S159 PolarHBondContact N-O 2.76Å; S149-S159 PolarHBondContact O-N 3.46Å; I157-S159 WeakPolarHBondContact CG2-O 3.35Å; S159-N194 WeakPolarHBondContact CB-ND2 3.48Å; S159-N194 PolarHBondContact OG-ND2 2.94Å
160	Q	87.9	Confident	90	Very high	57 Å²	57	44 Å²	44	27%	0.266	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.2	171.6	-59.2	-179.5	-3.6	0	0	109.4	I146 V147 Y148 I157 K162	I146-Q160 HydrophobicContact CG2-CB 3.9Å; I146-Q160 HydrophobicContact CG2-CG 4.41Å; V147-Q160 WeakPolarHBondContact O-CA 3.27Å; Y148-Q160 HydrophobicContact CD1-CG 3.83Å; Y148-Q160 HydrophobicContact CE1-CG 3.82Å; I157-Q160 HydrophobicContact CG2-CG 3.72Å; Q160-K162 HydrophobicContact CB-CG 4.47Å
161	R	91.5	Very high	90.3	Very high	10 Å²	10	44.7 Å²	44.7	4%	0.038	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	101.1	177.1	-51.7	-67.3	177.1	145.8	-13.5	108.5	V147 E163 F191 N194 S203 A204 Q205	V147-R161 HydrophobicContact CB-CB 4.12Å; V147-R161 HydrophobicContact CB-CG 4.47Å; V147-R161 PolarHBondContact N-O 2.73Å; V147-R161 VanDerWaalsContact N-O 3.11Å; V147-R161 PolarHBondContact O-N 3.32Å; R161-E163 PolarHBondContact O-N 3.1Å; R161-F191 HydrophobicContact CG-CD2 4.2Å; R161-F191 HydrophobicContact CG-CE2 4.28Å; R161-F191 HydrophobicContact CG-CG 4.35Å; R161-N194 PolarHBondContact NH2-OD1 3.27Å; R161-S203 PolarHBondContact NH1-O 2.93Å; R161-S203 PolarHBondContact NH2-O 2.95Å; R161-A204 WeakPolarHBondContact CD-O 3.42Å; R161-A204 PolarHBondContact NH1-O 3.06Å; R161-Q205 PolarHBondContact NH1-O 3.45Å
162	K	90.6	Very high	90.7	Very high	134 Å²	134	44.9 Å²	44.9	58%	0.583	23%	0.226	S	C	*	.			trans	-102	63	-173.4	-49.5	-166.5	-179.6	179.5	0	111.2	I146 Q160	I146-K162 HydrophobicContact CD1-CD 3.99Å; I146-K162 HydrophobicContact CD1-CG 4.08Å; I146-K162 HydrophobicContact CG1-CB 4.48Å; I146-K162 HydrophobicContact CG1-CD 4.35Å; I146-K162 HydrophobicContact CG1-CG 3.93Å; I146-K162 HydrophobicContact CG2-CG 4.27Å; Q160-K162 HydrophobicContact CB-CG 4.47Å
163	E	92	Very high	91.1	Very high	53 Å²	53	46.3 Å²	46.3	25%	0.248	24%	0.235	C	C	.	.			trans	-116.7	-27.6	-175.6	-63.7	-163.6	174.3	0	0	114.7	R161 K189 Q205 S206	R161-E163 PolarHBondContact O-N 3.1Å; E163-K189 HydrophobicContact CB-CD 3.61Å; E163-K189 VanDerWaalsContact CB-CE 3.49Å; E163-K189 WeakPolarHBondContact O-CE 3.24Å; E163-K189 WeakPolarHBondContact OE2-CD 3.3Å; E163-K189 IonicContact OE2-NZ 2.9Å; E163-K189 PolarHBondContact OE2-NZ 3Å; E163-Q205 WeakPolarHBondContact OE1-CA 3.45Å; E163-S206 PolarHBondContact OE1-N 2.8Å; E163-S206 PolarHBondContact OE1-OG 2.77Å; E163-S206 WeakPolarHBondContact OE2-CB 3.09Å; E163-S206 PolarHBondContact OE2-OG 2.85Å
164	H	93.6	Very high	91.5	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.06	22%	0.22	C	C	.	.			trans	-69	145.3	174.7	-79.4	-78.2	0	0	0	109.5	C145 I168 S181 D185 C187	C145-H164 HydrophobicContact CB-CB 4.33Å; C145-H164 WeakPolarHBondContact CB-O 3.41Å; H164-I168 HydrophobicContact CB-CD1 4Å; H164-I168 HydrophobicContact CB-CG1 3.85Å; H164-S181 PolarHBondContact NE2-OG 3.1Å; H164-D185 VanDerWaalsContact CA-OD2 3.22Å; H164-D185 WeakPolarHBondContact CA-OD2 3.06Å; H164-D185 WeakPolarHBondContact CB-OD2 3.34Å; H164-D185 IonicContact CE1-OD1 3.65Å; H164-D185 IonicContact CG-OD2 3.75Å; H164-D185 VanDerWaalsContact ND1-CG 3.33Å; H164-D185 IonicContact ND1-OD1 3.95Å; H164-D185 PolarHBondContact ND1-OD1 3.07Å; H164-D185 IonicContact ND1-OD2 3.84Å; H164-D185 PolarHBondContact ND1-OD2 2.85Å; H164-C187 PolarHBondContact CE1-O 3.12Å
165	T	94.3	Very high	91.7	Very high	121 Å²	121	44.5 Å²	44.5	74%	0.742	22%	0.224	S	C	*	.	S	Bend	trans	-104.8	-0.4	-178.7	57.3	0	0	0	0	112.7	D185	T165-D185 PolarHBondContact N-OD2 3.33Å; T165-D185 WeakPolarHBondContact OG1-CB 3.36Å
166	N	93.1	Very high	91.8	Very high	60 Å²	60	47 Å²	47	32%	0.321	24%	0.241	S	C	.	.	S	Bend	trans	-152.9	175.9	-179.7	-149	-5	0	0	0	110	C145 E184 D185	C145-N166 VanDerWaalsContact SG-CA 3.57Å; C145-N166 PolarHBondContact SG-O 2.97Å; C145-N166 VanDerWaalsContact SG-O 3.32Å; N166-E184 HydrophobicContact CB-CB 3.9Å; N166-E184 HydrophobicContact CB-CG 4.36Å; N166-E184 WeakPolarHBondContact ND2-CG 3.24Å; N166-D185 HydrophobicContact CB-CB 3.93Å
167	Y	90	Very high	92	Very high	55 Å²	55	41.3 Å²	41.3	22%	0.216	22%	0.217	C	C	.	.			trans	-46.9	139.3	-176.4	-64.5	-111	0	0	0	112.2	P122 E124 G183 E184	P122-Y167 WeakPolarHBondContact CD-OH 3.48Å; P122-Y167 HydrophobicContact CG-CE1 3.83Å; E124-Y167 HydrophobicContact CG-CD1 4.36Å; E124-Y167 HydrophobicContact CG-CE1 4.38Å; E124-Y167 VanDerWaalsContact OE1-CD1 3.26Å; E124-Y167 WeakPolarHBondContact OE1-CD1 3.42Å; Y167-G183 CarbonylContact O-C 3.5Å; Y167-G183 WeakPolarHBondContact O-CA 3.44Å; Y167-E184 WeakPolarHBondContact O-CB 3.33Å; Y167-E184 PolarHBondContact O-N 3.18Å
168	I	93.2	Very high	92.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.2	172.7	-57	168.5	0	0	0	107.8	N126 A141 G142 C145 V147 H164 G182	N126-I168 WeakPolarHBondContact CB-O 3.18Å; A141-I168 HydrophobicContact CB-CB 3.76Å; A141-I168 HydrophobicContact CB-CD1 3.82Å; A141-I168 HydrophobicContact CB-CG1 4.4Å; A141-I168 HydrophobicContact CB-CG2 3.51Å; G142-I168 WeakPolarHBondContact CA-O 3.38Å; G142-I168 PolarHBondContact O-N 3.1Å; C145-I168 VanDerWaalsContact C-CD1 3.48Å; V147-I168 HydrophobicContact CG2-CD1 3.71Å; H164-I168 HydrophobicContact CB-CD1 4Å; H164-I168 HydrophobicContact CB-CG1 3.85Å; I168-G182 WeakPolarHBondContact CG2-O 3.37Å
169	H	92.5	Very high	92.6	Very high	50 Å²	50	41.2 Å²	41.2	23%	0.231	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-31.3	-174.1	-65.1	-55	0	0	0	113.6	G182 E184 I226	H169-G182 PolarHBondContact N-O 3.24Å; H169-E184 IonicContact CD2-OE2 2.82Å; H169-E184 IonicContact CE1-OE2 2.77Å; H169-E184 IonicContact NE2-OE2 3.26Å; H169-E184 PolarHBondContact NE2-OE2 2.87Å; H169-I226 WeakPolarHBondContact CB-O 2.84Å; H169-I226 PolarHBondContact CD2-O 2.83Å
170	C	94.6	Very high	93	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.095	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.7	-174.7	57.7	0	0	0	0	112.9	S181 G182 G227	C170-S181 WeakPolarHBondContact O-CA 3.48Å; C170-G182 PolarHBondContact N-O 3.06Å; C170-G182 PolarHBondContact O-N 2.82Å; C170-G227 WeakPolarHBondContact CB-O 3.45Å
171	L	96.2	Very high	93.5	Very high	19 Å²	19	38.2 Å²	38.2	10%	0.099	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.5	175.7	-72.5	171.8	0	0	0	109.5	A127 A129 A141 V147 L180	A127-L171 HydrophobicContact CB-CB 4.05Å; A127-L171 HydrophobicContact CB-CD1 3.88Å; A127-L171 HydrophobicContact CB-CG 3.67Å; A129-L171 HydrophobicContact CB-CB 3.67Å; A141-L171 HydrophobicContact CB-CD1 3.85Å; A141-L171 HydrophobicContact CB-CD2 4.17Å; A141-L171 HydrophobicContact CB-CG 4.1Å; V147-L171 HydrophobicContact CG1-CD2 3.89Å; V147-L171 HydrophobicContact CG2-CD2 4.24Å; L171-L180 CarbonylContact C-O 3.59Å; L171-L180 VanDerWaalsContact CA-O 3.28Å; L171-L180 WeakPolarHBondContact CA-O 3.48Å
172	A	96	Very high	93.8	Very high	9 Å²	9	37.7 Å²	37.7	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.5	169	0	0	0	0	0	110	V179 L180 I229 T231	A172-V179 WeakPolarHBondContact O-CA 3.38Å; A172-L180 HydrophobicContact CB-CB 4.45Å; A172-L180 PolarHBondContact N-O 2.7Å; A172-L180 PolarHBondContact O-N 3.42Å; A172-I229 HydrophobicContact CB-CB 4.35Å; A172-I229 HydrophobicContact CB-CG2 3.88Å; A172-T231 HydrophobicContact CB-CG2 4.4Å
173	V	94.3	Very high	94.1	Very high	31 Å²	31	31.3 Å²	31.3	19%	0.188	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.5	172.7	-178.9	0	0	0	0	107.8	A129 D131 Y139 V179	A129-V173 HydrophobicContact CB-CG2 3.85Å; D131-V173 HydrophobicContact CB-CG1 4.12Å; Y139-V173 HydrophobicContact CD2-CG2 3.64Å; Y139-V173 HydrophobicContact CE2-CG2 3.89Å; V173-V179 HydrophobicContact CG2-CG1 4.24Å; V173-V179 HydrophobicContact CG2-CG2 4.4Å
174	H	94.7	Very high	94.3	Very high	23 Å²	23	32.1 Å²	32.1	11%	0.106	18%	0.176	C	C	.	.			trans	-95.9	148.7	176.5	178.4	-105.4	0	0	0	110.6	S176 G177 L178 L180 K233 L249	H174-S176 PolarHBondContact CE1-N 3.19Å; H174-S176 PolarHBondContact CE1-OG 2.82Å; H174-S176 VanDerWaalsContact ND1-CB 3.34Å; H174-S176 WeakPolarHBondContact ND1-CB 3.41Å; H174-S176 PolarHBondContact ND1-N 3.01Å; H174-S176 PolarHBondContact ND1-OG 3Å; H174-S176 PolarHBondContact O-N 3.17Å; H174-G177 WeakPolarHBondContact O-CA 3.4Å; H174-G177 PolarHBondContact O-N 2.93Å; H174-L178 HydrophobicContact CB-CB 4.21Å; H174-L178 PolarHBondContact N-O 2.69Å; H174-L180 HydrophobicContact CB-CD1 4.41Å; H174-K233 PolarHBondContact NE2-O 3.35Å; H174-L249 HydrophobicContact CB-CD2 4.06Å; H174-L249 VanDerWaalsContact CG-CD2 3.45Å
175	D	90.6	Very high	94.4	Very high	104 Å²	104	32.8 Å²	32.8	56%	0.556	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.1	-177.4	-69.1	-31.5	0	0	0	114.3	Q133 G177	Q133-D175 PolarHBondContact NE2-O 3.46Å; Q133-D175 PolarHBondContact OE1-O 3.5Å; Q133-D175 VanDerWaalsContact OE1-O 3.06Å; D175-G177 PolarHBondContact O-N 3.06Å
176	S	90.5	Very high	94.5	Very high	70 Å²	70	27 Å²	27	49%	0.49	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-0.7	172.1	71.6	0	0	0	0	113.3	H174 L178	H174-S176 PolarHBondContact CE1-N 3.19Å; H174-S176 PolarHBondContact CE1-OG 2.82Å; H174-S176 VanDerWaalsContact ND1-CB 3.34Å; H174-S176 WeakPolarHBondContact ND1-CB 3.41Å; H174-S176 PolarHBondContact ND1-N 3.01Å; H174-S176 PolarHBondContact ND1-OG 3Å; H174-S176 PolarHBondContact O-N 3.17Å; S176-L178 WeakPolarHBondContact OG-CG 3.37Å
177	G	90.9	Very high	94.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	14%	0.135	C	C	.	.	S	Bend	trans	80.6	16.7	-171.5	0	0	0	0	0	113.7	H174 D175 R193	H174-G177 WeakPolarHBondContact O-CA 3.4Å; H174-G177 PolarHBondContact O-N 2.93Å; D175-G177 PolarHBondContact O-N 3.06Å; G177-R193 VanDerWaalsContact O-CB 3.32Å; G177-R193 WeakPolarHBondContact O-CB 3.27Å; G177-R193 WeakPolarHBondContact O-CG 3.14Å; G177-R193 PolarHBondContact O-N 2.64Å
178	L	94	Very high	95.2	Very high	34 Å²	34	22.3 Å²	22.3	18%	0.178	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.6	168.2	-66.2	175	0	0	0	109.5	H174 S176 L180 V192 V207 L249	H174-L178 HydrophobicContact CB-CB 4.21Å; H174-L178 PolarHBondContact N-O 2.69Å; S176-L178 WeakPolarHBondContact OG-CG 3.37Å; L178-L180 HydrophobicContact CB-CD1 4.46Å; L178-V192 HydrophobicContact CD2-CG2 3.96Å; L178-V207 HydrophobicContact CD2-CG2 4.31Å; L178-L249 HydrophobicContact CD1-CG 4.46Å
179	V	95.4	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.1	176.2	-172.2	0	0	0	0	107.4	Y139 A172 V173 C190 F191 R193	Y139-V179 HydrophobicContact CD1-CG1 4.09Å; Y139-V179 HydrophobicContact CD2-CG1 4.14Å; Y139-V179 HydrophobicContact CD2-CG2 4.3Å; Y139-V179 HydrophobicContact CE1-CG1 4.3Å; Y139-V179 HydrophobicContact CE1-CG2 3.91Å; Y139-V179 HydrophobicContact CE2-CG1 4.35Å; Y139-V179 HydrophobicContact CE2-CG2 3.68Å; Y139-V179 HydrophobicContact CG-CG1 4Å; Y139-V179 VanDerWaalsContact CZ-CG2 3.46Å; A172-V179 WeakPolarHBondContact O-CA 3.38Å; V173-V179 HydrophobicContact CG2-CG1 4.24Å; V173-V179 HydrophobicContact CG2-CG2 4.4Å; V179-C190 WeakPolarHBondContact O-CA 3.38Å; V179-F191 HydrophobicContact CB-CD2 3.78Å; V179-F191 HydrophobicContact CB-CE1 4.26Å; V179-F191 HydrophobicContact CB-CE2 3.31Å; V179-F191 HydrophobicContact CB-CG 4.44Å; V179-F191 HydrophobicContact CB-CZ 3.54Å; V179-F191 HydrophobicContact CG1-CD2 4.39Å; V179-F191 HydrophobicContact CG1-CE1 4.17Å; V179-F191 HydrophobicContact CG1-CE2 3.44Å; V179-F191 VanDerWaalsContact CG1-CE2 3.44Å; V179-F191 HydrophobicContact CG1-CZ 3.27Å; V179-F191 HydrophobicContact CG2-CD2 4.31Å; V179-F191 HydrophobicContact CG2-CE2 3.94Å; V179-F191 PolarHBondContact N-O 2.7Å; V179-F191 WeakPolarHBondContact O-CD1 3.48Å; V179-F191 PolarHBondContact O-N 2.9Å; V179-R193 HydrophobicContact CG2-CB 4.38Å
180	L	97.8	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.1	-176.5	-62.3	89.8	0	0	0	109.8	L171 A172 H174 L178 V188 K189 C190 I229 T231 M236 L249 F252	L171-L180 CarbonylContact C-O 3.59Å; L171-L180 VanDerWaalsContact CA-O 3.28Å; L171-L180 WeakPolarHBondContact CA-O 3.48Å; A172-L180 HydrophobicContact CB-CB 4.45Å; A172-L180 PolarHBondContact N-O 2.7Å; A172-L180 PolarHBondContact O-N 3.42Å; H174-L180 HydrophobicContact CB-CD1 4.41Å; L178-L180 HydrophobicContact CB-CD1 4.46Å; L180-V188 HydrophobicContact CD2-CG1 4.22Å; L180-K189 CarbonylContact C-O 3.43Å; L180-K189 VanDerWaalsContact CA-O 3.26Å; L180-K189 WeakPolarHBondContact CA-O 3.28Å; L180-C190 HydrophobicContact CG-CB 4.49Å; L180-I229 HydrophobicContact CB-CD1 4.5Å; L180-I229 HydrophobicContact CB-CG2 4.34Å; L180-I229 HydrophobicContact CD2-CG2 4.36Å; L180-T231 HydrophobicContact CD1-CG2 3.94Å; L180-T231 HydrophobicContact CD2-CG2 4.34Å; L180-M236 HydrophobicContact CD2-SD 3.28Å; L180-M236 WeakPolarHBondContact CD2-SD 3.49Å; L180-L249 HydrophobicContact CD1-CD1 4.23Å; L180-L249 HydrophobicContact CD2-CD1 3.7Å; L180-L249 HydrophobicContact CG-CD1 4.49Å; L180-F252 HydrophobicContact CD2-CE1 4.38Å
181	S	97.9	Very high	95.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.8	174.3	56.1	0	0	0	0	110.9	H164 C170 V188 K189	H164-S181 PolarHBondContact NE2-OG 3.1Å; C170-S181 WeakPolarHBondContact O-CA 3.48Å; S181-V188 CarbonylContact O-C 3.34Å; S181-V188 VanDerWaalsContact O-CA 3.24Å; S181-V188 WeakPolarHBondContact O-CA 3.1Å; S181-K189 PolarHBondContact N-O 3.18Å; S181-K189 PolarHBondContact O-N 3.07Å
182	G	98.2	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.9	176.3	0	0	0	0	0	110.7	I168 H169 C170 C187	I168-G182 WeakPolarHBondContact CG2-O 3.37Å; H169-G182 PolarHBondContact N-O 3.24Å; C170-G182 PolarHBondContact N-O 3.06Å; C170-G182 PolarHBondContact O-N 2.82Å; G182-C187 WeakPolarHBondContact CA-O 3.47Å
183	G	95.9	Very high	94.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	168.4	-174	0	0	0	0	0	115.6	Y167 D185 G186 C187 I226	Y167-G183 CarbonylContact O-C 3.5Å; Y167-G183 WeakPolarHBondContact O-CA 3.44Å; G183-D185 PolarHBondContact O-N 3.26Å; G183-G186 PolarHBondContact O-N 2.97Å; G183-G186 VanDerWaalsContact O-N 3.11Å; G183-C187 PolarHBondContact N-O 3.17Å; G183-C187 VanDerWaalsContact N-O 3.11Å; G183-I226 PolarHBondContact O-N 2.93Å
184	E	95.7	Very high	94.1	Very high	69 Å²	69	24.5 Å²	24.5	32%	0.322	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.5	170.8	-171.2	64.5	-155.6	0	0	112.2	N166 Y167 H169 G186 W225	N166-E184 HydrophobicContact CB-CB 3.9Å; N166-E184 HydrophobicContact CB-CG 4.36Å; N166-E184 WeakPolarHBondContact ND2-CG 3.24Å; Y167-E184 WeakPolarHBondContact O-CB 3.33Å; Y167-E184 PolarHBondContact O-N 3.18Å; H169-E184 IonicContact CD2-OE2 2.82Å; H169-E184 IonicContact CE1-OE2 2.77Å; H169-E184 IonicContact NE2-OE2 3.26Å; H169-E184 PolarHBondContact NE2-OE2 2.87Å; E184-G186 PolarHBondContact O-N 3.12Å; E184-W225 VanDerWaalsContact OE2-CB 3.25Å; E184-W225 WeakPolarHBondContact OE2-CB 3.34Å
185	D	95.9	Very high	93.1	Very high	27 Å²	27	31.6 Å²	31.6	14%	0.144	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	7.5	171.9	62.4	4.4	0	0	0	113.6	H164 T165 N166 G183 C187	H164-D185 VanDerWaalsContact CA-OD2 3.22Å; H164-D185 WeakPolarHBondContact CA-OD2 3.06Å; H164-D185 WeakPolarHBondContact CB-OD2 3.34Å; H164-D185 IonicContact CE1-OD1 3.65Å; H164-D185 IonicContact CG-OD2 3.75Å; H164-D185 VanDerWaalsContact ND1-CG 3.33Å; H164-D185 IonicContact ND1-OD1 3.95Å; H164-D185 PolarHBondContact ND1-OD1 3.07Å; H164-D185 IonicContact ND1-OD2 3.84Å; H164-D185 PolarHBondContact ND1-OD2 2.85Å; T165-D185 PolarHBondContact N-OD2 3.33Å; T165-D185 WeakPolarHBondContact OG1-CB 3.36Å; N166-D185 HydrophobicContact CB-CB 3.93Å; G183-D185 PolarHBondContact O-N 3.26Å; D185-C187 PolarHBondContact O-N 3.32Å; D185-C187 WeakPolarHBondContact OD1-CB 3.31Å; D185-C187 PolarHBondContact OD1-N 3.05Å
186	G	97.3	Very high	92	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	68.4	14.4	177.6	0	0	0	0	0	114.4	G183 E184 H213 D224	G183-G186 PolarHBondContact O-N 2.97Å; G183-G186 VanDerWaalsContact O-N 3.11Å; E184-G186 PolarHBondContact O-N 3.12Å; G186-H213 PolarHBondContact O-CE1 3.05Å; G186-H213 PolarHBondContact O-ND1 3.3Å; G186-H213 VanDerWaalsContact O-ND1 3.08Å; G186-D224 WeakPolarHBondContact CA-O 3.26Å
187	C	98.2	Very high	90.7	Very high	16 Å²	16	33 Å²	33	11%	0.108	16%	0.16	C	C	.	.			trans	-100.6	141.8	179.3	-64.9	0	0	0	0	111.3	H164 G182 G183 D185 K189 T209 M210	H164-C187 PolarHBondContact CE1-O 3.12Å; G182-C187 WeakPolarHBondContact CA-O 3.47Å; G183-C187 PolarHBondContact N-O 3.17Å; G183-C187 VanDerWaalsContact N-O 3.11Å; D185-C187 PolarHBondContact O-N 3.32Å; D185-C187 WeakPolarHBondContact OD1-CB 3.31Å; D185-C187 PolarHBondContact OD1-N 3.05Å; C187-K189 HydrophobicContact CB-CG 4.38Å; C187-T209 HydrophobicContact CB-CG2 4.2Å; C187-M210 CarbonylContact C-O 3.52Å; C187-M210 WeakPolarHBondContact CA-O 3.38Å
188	V	98.3	Very high	89.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.1	155.4	179.4	0	0	0	0	107.6	L180 S181 T209 M210 P212 I226 I229 M236	L180-V188 HydrophobicContact CD2-CG1 4.22Å; S181-V188 CarbonylContact O-C 3.34Å; S181-V188 VanDerWaalsContact O-CA 3.24Å; S181-V188 WeakPolarHBondContact O-CA 3.1Å; V188-T209 CarbonylContact O-C 3.49Å; V188-T209 WeakPolarHBondContact O-CA 3.08Å; V188-M210 HydrophobicContact CB-CB 4.31Å; V188-M210 HydrophobicContact CB-CE 3.66Å; V188-M210 HydrophobicContact CG1-CE 4.11Å; V188-M210 HydrophobicContact CG2-CE 3.56Å; V188-M210 PolarHBondContact N-O 3.26Å; V188-M210 PolarHBondContact O-N 3.02Å; V188-P212 HydrophobicContact CG2-CG 4.22Å; V188-I226 HydrophobicContact CG2-CD1 4.44Å; V188-I226 HydrophobicContact CG2-CG1 3.99Å; V188-I226 HydrophobicContact CG2-CG2 4.02Å; V188-I229 HydrophobicContact CB-CD1 4.47Å; V188-I229 HydrophobicContact CG1-CD1 3.82Å; V188-I229 HydrophobicContact CG2-CD1 4Å; V188-I229 HydrophobicContact CG2-CG1 4.49Å; V188-M236 HydrophobicContact CG1-SD 4.46Å
189	K	97.7	Very high	87.8	Confident	24 Å²	24	42.8 Å²	42.8	10%	0.104	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	141.1	176.3	-67.2	-177.5	166.8	-73.9	0	109.9	E163 L180 S181 C187 T209	E163-K189 HydrophobicContact CB-CD 3.61Å; E163-K189 VanDerWaalsContact CB-CE 3.49Å; E163-K189 WeakPolarHBondContact O-CE 3.24Å; E163-K189 WeakPolarHBondContact OE2-CD 3.3Å; E163-K189 IonicContact OE2-NZ 2.9Å; E163-K189 PolarHBondContact OE2-NZ 3Å; L180-K189 CarbonylContact C-O 3.43Å; L180-K189 VanDerWaalsContact CA-O 3.26Å; L180-K189 WeakPolarHBondContact CA-O 3.28Å; S181-K189 PolarHBondContact N-O 3.18Å; S181-K189 PolarHBondContact O-N 3.07Å; C187-K189 HydrophobicContact CB-CG 4.38Å; K189-T209 HydrophobicContact CG-CG2 4.3Å; K189-T209 PolarHBondContact NZ-OG1 2.85Å
190	C	96.3	Very high	86.2	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.2	178.7	-177.4	0	0	0	0	110	V179 L180 S206 V207 A208 F252	V179-C190 WeakPolarHBondContact O-CA 3.38Å; L180-C190 HydrophobicContact CG-CB 4.49Å; C190-S206 CarbonylContact O-C 3.52Å; C190-S206 WeakPolarHBondContact O-CA 3.44Å; C190-S206 WeakPolarHBondContact O-CB 3.19Å; C190-V207 HydrophobicContact CB-CG2 4.4Å; C190-V207 WeakPolarHBondContact O-CG2 3.45Å; C190-V207 PolarHBondContact O-N 3.03Å; C190-A208 HydrophobicContact CB-CB 4.26Å; C190-A208 PolarHBondContact N-O 3.05Å; C190-A208 PolarHBondContact O-N 3.44Å; C190-F252 HydrophobicContact CB-CE1 4.05Å; C190-F252 HydrophobicContact CB-CE2 4.43Å; C190-F252 HydrophobicContact CB-CZ 3.52Å
191	F	92.9	Very high	84.4	Confident	6 Å²	6	54 Å²	54	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	154.4	176.7	48	-83.3	0	0	0	110.4	Y139 V147 R161 V179	Y139-F191 HydrophobicContact CD1-CE2 4.31Å; Y139-F191 HydrophobicContact CE1-CE2 4.17Å; V147-F191 HydrophobicContact CB-CE1 4.37Å; V147-F191 HydrophobicContact CB-CZ 4.02Å; V147-F191 HydrophobicContact CG1-CE1 4.3Å; V147-F191 HydrophobicContact CG1-CE2 4.28Å; V147-F191 HydrophobicContact CG1-CZ 3.54Å; V147-F191 HydrophobicContact CG2-CE1 4.19Å; V147-F191 HydrophobicContact CG2-CZ 4.26Å; R161-F191 HydrophobicContact CG-CD2 4.2Å; R161-F191 HydrophobicContact CG-CE2 4.28Å; R161-F191 HydrophobicContact CG-CG 4.35Å; V179-F191 HydrophobicContact CB-CD2 3.78Å; V179-F191 HydrophobicContact CB-CE1 4.26Å; V179-F191 HydrophobicContact CB-CE2 3.31Å; V179-F191 HydrophobicContact CB-CG 4.44Å; V179-F191 HydrophobicContact CB-CZ 3.54Å; V179-F191 HydrophobicContact CG1-CD2 4.39Å; V179-F191 HydrophobicContact CG1-CE1 4.17Å; V179-F191 HydrophobicContact CG1-CE2 3.44Å; V179-F191 VanDerWaalsContact CG1-CE2 3.44Å; V179-F191 HydrophobicContact CG1-CZ 3.27Å; V179-F191 HydrophobicContact CG2-CD2 4.31Å; V179-F191 HydrophobicContact CG2-CE2 3.94Å; V179-F191 PolarHBondContact N-O 2.7Å; V179-F191 WeakPolarHBondContact O-CD1 3.48Å; V179-F191 PolarHBondContact O-N 2.9Å
192	V	90.2	Very high	82.4	Confident	70 Å²	70	65.1 Å²	65.1	42%	0.424	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	138.1	175.7	-177.3	0	0	0	0	108.8	L178 V207	L178-V192 HydrophobicContact CD2-CG2 3.96Å; V192-V207 HydrophobicContact CG2-CG1 3.87Å; V192-V207 HydrophobicContact CG2-CG2 4.44Å
193	R	88.6	Confident	80.5	Confident	57 Å²	57	67.7 Å²	67.7	22%	0.215	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-56.3	146.5	173.9	68.9	175.9	177.6	-157.4	-6.9	111.1	D131 Q133 Y139 G177 V179 E195	D131-R193 IonicContact OD1-NH1 2.96Å; D131-R193 PolarHBondContact OD1-NH1 3.01Å; D131-R193 VanDerWaalsContact OD2-CD 3.25Å; D131-R193 WeakPolarHBondContact OD2-CD 3.38Å; D131-R193 IonicContact OD2-NH1 3.53Å; D131-R193 PolarHBondContact OD2-NH1 3.07Å; Q133-R193 VanDerWaalsContact CB-NH1 3.3Å; Y139-R193 VanDerWaalsContact OH-CB 3.22Å; Y139-R193 WeakPolarHBondContact OH-CB 3.24Å; G177-R193 VanDerWaalsContact O-CB 3.32Å; G177-R193 WeakPolarHBondContact O-CB 3.27Å; G177-R193 WeakPolarHBondContact O-CG 3.14Å; G177-R193 PolarHBondContact O-N 2.64Å; V179-R193 HydrophobicContact CG2-CB 4.38Å; R193-E195 PolarHBondContact O-N 2.88Å
194	N	79	Confident	79.1	Confident	12 Å²	12	68.8 Å²	68.8	6%	0.064	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-73.9	122	172.7	-48.7	-55.1	0	0	0	109.2	K134 S159 R161	K134-N194 PolarHBondContact NZ-O 3.05Å; S159-N194 WeakPolarHBondContact CB-ND2 3.48Å; S159-N194 PolarHBondContact OG-ND2 2.94Å; R161-N194 PolarHBondContact NH2-OD1 3.27Å
195	E	73.9	Confident	78.2	Confident	173 Å²	173	72.8 Å²	72.8	81%	0.808	35%	0.352	S	S	*	.			trans	-74	-37.8	172.4	-64.5	-173.9	164.1	0	0	111.3	R193	R193-E195 PolarHBondContact O-N 2.88Å
196	S	68.2	Low	77.6	Confident	57 Å²	57	72.9 Å²	72.9	40%	0.399	36%	0.355	S	S	.	.	S	Bend	trans	-78.6	149.5	-179.2	-170.7	0	0	0	0	112.2	I198	S196-I198 WeakPolarHBondContact OG-CB 3.34Å; S196-I198 PolarHBondContact OG-N 3.22Å; S196-I198 VanDerWaalsContact OG-N 3.08Å
197	R	62.2	Low	77.3	Confident	145 Å²	145	77.2 Å²	77.2	55%	0.547	38%	0.381	S	S	.	.	S	Bend	trans	-78.3	-8.5	165.9	-67.2	-174	177.1	-155.2	-8	112.5	N136 E153	N136-R197 PolarHBondContact ND2-NH2 3.11Å; E153-R197 IonicContact OE1-NH1 3.61Å; E153-R197 IonicContact OE2-CZ 3.82Å; E153-R197 VanDerWaalsContact OE2-CZ 3.25Å; E153-R197 IonicContact OE2-NH1 3.62Å; E153-R197 PolarHBondContact OE2-NH1 3.13Å; E153-R197 IonicContact OE2-NH2 2.7Å; E153-R197 PolarHBondContact OE2-NH2 2.83Å
198	I	63.4	Low	77	Confident	130 Å²	130	77.6 Å²	77.6	67%	0.667	39%	0.385	S	S	*	.	S	Bend	trans	-89.5	140.3	-178.5	-54.7	173.5	0	0	0	109.4	S196 D200	S196-I198 WeakPolarHBondContact OG-CB 3.34Å; S196-I198 PolarHBondContact OG-N 3.22Å; S196-I198 VanDerWaalsContact OG-N 3.08Å; I198-D200 PolarHBondContact O-N 3.01Å; I198-D200 VanDerWaalsContact O-N 3.13Å
199	I	61.7	Low	76.9	Confident	111 Å²	111	80.7 Å²	80.7	57%	0.569	40%	0.404	S	S	*	.			trans	-58.2	113.9	173.6	-57.4	167.3	0	0	0	109.2	Q158 E201	Q158-I199 WeakPolarHBondContact O-CA 3.37Å; I199-E201 HydrophobicContact CG2-CG 4.15Å
200	D	60	Low	76.9	Confident	69 Å²	69	80.1 Å²	80.1	37%	0.369	40%	0.402	S	S	.	.			trans	-114.5	97.3	171.5	-177.7	15.5	0	0	0	109.8	I198 R202 S203	I198-D200 PolarHBondContact O-N 3.01Å; I198-D200 VanDerWaalsContact O-N 3.13Å; D200-R202 PolarHBondContact O-N 3.13Å; D200-R202 WeakPolarHBondContact OD1-CB 3.49Å; D200-R202 PolarHBondContact OD1-N 3.32Å; D200-S203 VanDerWaalsContact CG-OG 3.27Å; D200-S203 PolarHBondContact OD1-N 2.95Å; D200-S203 WeakPolarHBondContact OD2-CB 3.04Å; D200-S203 PolarHBondContact OD2-N 3.15Å; D200-S203 PolarHBondContact OD2-OG 3.29Å
201	E	60.4	Low	76.9	Confident	166 Å²	166	84 Å²	84	78%	0.776	42%	0.421	S	S	*	.	S	Bend	trans	-70.3	-17.9	175.1	-63.7	-178.7	169	0	0	112.4	I199 A204	I199-E201 HydrophobicContact CG2-CG 4.15Å; E201-A204 WeakPolarHBondContact O-CB 3.33Å
202	R	56	Low	77.1	Confident	235 Å²	235	83.8 Å²	83.8	89%	0.887	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-30.8	-174.6	-65.7	-177.1	176.8	179.2	-0.2	112.7	D200 A204	D200-R202 PolarHBondContact O-N 3.13Å; D200-R202 WeakPolarHBondContact OD1-CB 3.49Å; D200-R202 PolarHBondContact OD1-N 3.32Å; R202-A204 PolarHBondContact O-N 3.35Å
203	S	59	Low	77.4	Confident	54 Å²	54	81.2 Å²	81.2	38%	0.378	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	9.2	173.8	60	0	0	0	0	113.2	R161 D200 Q205	R161-S203 PolarHBondContact NH1-O 2.93Å; R161-S203 PolarHBondContact NH2-O 2.95Å; D200-S203 VanDerWaalsContact CG-OG 3.27Å; D200-S203 PolarHBondContact OD1-N 2.95Å; D200-S203 WeakPolarHBondContact OD2-CB 3.04Å; D200-S203 PolarHBondContact OD2-N 3.15Å; D200-S203 PolarHBondContact OD2-OG 3.29Å; S203-Q205 VanDerWaalsContact C-N 3.3Å; S203-Q205 PolarHBondContact O-N 3.11Å
204	A	65.8	Low	77.8	Confident	24 Å²	24	83.7 Å²	83.7	20%	0.198	42%	0.42	C	S	.	.			trans	-72.3	-5.4	-167.1	0	0	0	0	0	116.5	R161 E201 R202	R161-A204 WeakPolarHBondContact CD-O 3.42Å; R161-A204 PolarHBondContact NH1-O 3.06Å; E201-A204 WeakPolarHBondContact O-CB 3.33Å; R202-A204 PolarHBondContact O-N 3.35Å
205	Q	77.3	Confident	78.5	Confident	153 Å²	153	85.2 Å²	85.2	72%	0.715	43%	0.43	S	S	*	.	S	Bend	trans	-84.6	150.3	-179.3	-68	-173.3	-15	0	0	113.2	R161 E163 S203	R161-Q205 PolarHBondContact NH1-O 3.45Å; E163-Q205 WeakPolarHBondContact OE1-CA 3.45Å; S203-Q205 VanDerWaalsContact C-N 3.3Å; S203-Q205 PolarHBondContact O-N 3.11Å
206	S	83.3	Confident	79.5	Confident	29 Å²	29	79.8 Å²	79.8	20%	0.203	42%	0.42	C	S	.	.			trans	-64.8	140.6	168	57.4	0	0	0	0	110.3	E163 C190 T209	E163-S206 PolarHBondContact OE1-N 2.8Å; E163-S206 PolarHBondContact OE1-OG 2.77Å; E163-S206 WeakPolarHBondContact OE2-CB 3.09Å; E163-S206 PolarHBondContact OE2-OG 2.85Å; C190-S206 CarbonylContact O-C 3.52Å; C190-S206 WeakPolarHBondContact O-CA 3.44Å; C190-S206 WeakPolarHBondContact O-CB 3.19Å; S206-T209 PolarHBondContact OG-OG1 3.31Å
207	V	90.2	Very high	80.8	Confident	91 Å²	91	77.2 Å²	77.2	55%	0.552	40%	0.402	S	S	*	.	S	Bend	trans	-82.9	-21.5	173.7	-64.3	0	0	0	0	111.8	L178 C190 V192	L178-V207 HydrophobicContact CD2-CG2 4.31Å; C190-V207 HydrophobicContact CB-CG2 4.4Å; C190-V207 WeakPolarHBondContact O-CG2 3.45Å; C190-V207 PolarHBondContact O-N 3.03Å; V192-V207 HydrophobicContact CG2-CG1 3.87Å; V192-V207 HydrophobicContact CG2-CG2 4.44Å
208	A	93.2	Very high	82.3	Confident	23 Å²	23	76.3 Å²	76.3	19%	0.19	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	151.2	173.5	0	0	0	0	0	110.8	C190 F252	C190-A208 HydrophobicContact CB-CB 4.26Å; C190-A208 PolarHBondContact N-O 3.05Å; C190-A208 PolarHBondContact O-N 3.44Å; A208-F252 HydrophobicContact CB-CD2 3.64Å; A208-F252 HydrophobicContact CB-CE2 3.31Å; A208-F252 HydrophobicContact CB-CG 4.38Å; A208-F252 HydrophobicContact CB-CZ 3.81Å
209	T	96.1	Very high	83.7	Confident	65 Å²	65	71.4 Å²	71.4	40%	0.399	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133	168.3	-66.3	0	0	0	0	107.8	C187 V188 K189 S206	C187-T209 HydrophobicContact CB-CG2 4.2Å; V188-T209 CarbonylContact O-C 3.49Å; V188-T209 WeakPolarHBondContact O-CA 3.08Å; K189-T209 HydrophobicContact CG-CG2 4.3Å; K189-T209 PolarHBondContact NZ-OG1 2.85Å; S206-T209 PolarHBondContact OG-OG1 3.31Å
210	M	96.8	Very high	84.9	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.059	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.3	178.6	179.3	-173.4	69.4	0	0	109.3	C187 V188 P212 M236 W247 F252	C187-M210 CarbonylContact C-O 3.52Å; C187-M210 WeakPolarHBondContact CA-O 3.38Å; V188-M210 HydrophobicContact CB-CB 4.31Å; V188-M210 HydrophobicContact CB-CE 3.66Å; V188-M210 HydrophobicContact CG1-CE 4.11Å; V188-M210 HydrophobicContact CG2-CE 3.56Å; V188-M210 PolarHBondContact N-O 3.26Å; V188-M210 PolarHBondContact O-N 3.02Å; M210-P212 HydrophobicContact CE-CG 3.73Å; M210-M236 HydrophobicContact CE-CE 3.38Å; M210-M236 HydrophobicContact SD-CE 3.88Å; M210-W247 HydrophobicContact CE-CD2 4.12Å; M210-W247 HydrophobicContact CE-CE3 4.43Å; M210-W247 HydrophobicContact CE-CG 4.44Å; M210-W247 HydrophobicContact CE-CZ2 4.42Å; M210-W247 HydrophobicContact CG-CE3 4.41Å; M210-W247 HydrophobicContact CG-CH2 4.37Å; M210-W247 HydrophobicContact CG-CZ3 4.07Å; M210-W247 HydrophobicContact SD-CD2 3.51Å; M210-W247 VanDerWaalsContact SD-CD2 3.51Å; M210-W247 HydrophobicContact SD-CE3 3.25Å; M210-W247 HydrophobicContact SD-CG 4.13Å; M210-W247 HydrophobicContact SD-CH2 3.91Å; M210-W247 HydrophobicContact SD-CZ2 4.17Å; M210-W247 HydrophobicContact SD-CZ3 3.46Å; M210-W247 WeakPolarHBondContact SD-CZ3 3.44Å; M210-F252 HydrophobicContact CB-CB 4.44Å; M210-F252 HydrophobicContact CB-CD1 4.15Å; M210-F252 HydrophobicContact SD-CB 4.28Å; M210-F252 HydrophobicContact SD-CD1 4.16Å
211	Q	97.5	Very high	86.4	Confident	83 Å²	83	74.6 Å²	74.6	39%	0.388	40%	0.4	S	S	.	.			trans	-126.9	86.9	179.9	-68.3	177.4	-88.7	0	0	109.7	H213 L214	Q211-H213 PolarHBondContact O-N 3.08Å; Q211-H213 VanDerWaalsContact O-N 3.17Å; Q211-L214 HydrophobicContact CB-CB 4.35Å; Q211-L214 HydrophobicContact CB-CD1 3.9Å; Q211-L214 HydrophobicContact CB-CG 4.03Å; Q211-L214 HydrophobicContact CG-CD1 4.44Å; Q211-L214 PolarHBondContact O-N 2.77Å
212	P	97.4	Very high	87.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-51.7	-36	-178.1	-34.2	40.7	0	0	0	115.4	V188 M210 L214 T215 C217 I226 A242 W247	V188-P212 HydrophobicContact CG2-CG 4.22Å; M210-P212 HydrophobicContact CE-CG 3.73Å; P212-L214 PolarHBondContact O-N 2.82Å; P212-L214 VanDerWaalsContact O-N 3.15Å; P212-T215 PolarHBondContact O-N 3.22Å; P212-T215 VanDerWaalsContact O-N 3.1Å; P212-T215 PolarHBondContact O-OG1 3.46Å; P212-C217 HydrophobicContact CB-CB 4.48Å; P212-C217 WeakPolarHBondContact O-CB 3.48Å; P212-I226 HydrophobicContact CB-CD1 3.98Å; P212-I226 HydrophobicContact CG-CD1 3.65Å; P212-A242 HydrophobicContact CB-CB 3.92Å; P212-W247 HydrophobicContact CB-CH2 4.25Å; P212-W247 HydrophobicContact CB-CZ2 3.81Å; P212-W247 HydrophobicContact CG-CH2 4.36Å; P212-W247 HydrophobicContact CG-CZ2 3.93Å
213	H	95.5	Very high	89.7	Confident	16 Å²	16	58.8 Å²	58.8	7%	0.074	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-67.5	-10.3	178.3	62.1	-87	0	0	0	114.1	G186 Q211 Q218 D224 A242	G186-H213 PolarHBondContact O-CE1 3.05Å; G186-H213 PolarHBondContact O-ND1 3.3Å; G186-H213 VanDerWaalsContact O-ND1 3.08Å; Q211-H213 PolarHBondContact O-N 3.08Å; Q211-H213 VanDerWaalsContact O-N 3.17Å; H213-Q218 WeakPolarHBondContact O-CB 3.34Å; H213-Q218 WeakPolarHBondContact O-CG 3.18Å; H213-D224 HydrophobicContact CB-CB 3.83Å; H213-D224 VanDerWaalsContact CB-OD1 3.28Å; H213-D224 WeakPolarHBondContact CB-OD1 3.47Å; H213-D224 IonicContact CD2-OD1 3.94Å; H213-D224 IonicContact CD2-OD2 2.7Å; H213-D224 IonicContact CG-OD1 3.08Å; H213-A242 HydrophobicContact CB-CB 4.21Å
214	L	96.2	Very high	91.5	Very high	109 Å²	109	59.7 Å²	59.7	57%	0.571	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-100.4	10.1	174.4	-57.3	-177.5	0	0	0	113.1	Q211 P212	Q211-L214 HydrophobicContact CB-CB 4.35Å; Q211-L214 HydrophobicContact CB-CD1 3.9Å; Q211-L214 HydrophobicContact CB-CG 4.03Å; Q211-L214 HydrophobicContact CG-CD1 4.44Å; Q211-L214 PolarHBondContact O-N 2.77Å; P212-L214 PolarHBondContact O-N 2.82Å; P212-L214 VanDerWaalsContact O-N 3.15Å
215	T	95.4	Very high	93	Very high	45 Å²	45	59.8 Å²	59.8	28%	0.276	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-163.3	179.6	78.2	0	0	0	0	111.2	P212 C217 Q218 W247	P212-T215 PolarHBondContact O-N 3.22Å; P212-T215 VanDerWaalsContact O-N 3.1Å; P212-T215 PolarHBondContact O-OG1 3.46Å; T215-C217 PolarHBondContact O-N 2.96Å; T215-C217 PolarHBondContact OG1-N 3.45Å; T215-Q218 WeakPolarHBondContact O-CB 3.5Å; T215-Q218 PolarHBondContact O-N 2.81Å; T215-Q218 VanDerWaalsContact O-N 3.11Å; T215-W247 HydrophobicContact CG2-CH2 3.57Å; T215-W247 HydrophobicContact CG2-CZ3 3.95Å; T215-W247 VanDerWaalsContact OG1-CH2 3.29Å; T215-W247 WeakPolarHBondContact OG1-CH2 3.08Å
216	G	93.9	Very high	94	Very high	58 Å²	58	52.5 Å²	52.5	60%	0.598	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-6.3	170.6	0	0	0	0	0	114.8
217	C	95	Very high	94.6	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.027	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	6.3	174.4	-67.1	0	0	0	0	113.6	P212 T215 R219 G243	P212-C217 HydrophobicContact CB-CB 4.48Å; P212-C217 WeakPolarHBondContact O-CB 3.48Å; T215-C217 PolarHBondContact O-N 2.96Å; T215-C217 PolarHBondContact OG1-N 3.45Å; C217-R219 PolarHBondContact O-N 3.03Å; C217-G243 VanDerWaalsContact CB-O 3.31Å; C217-G243 WeakPolarHBondContact CB-O 3.22Å; C217-G243 WeakPolarHBondContact O-CA 3.2Å; C217-G243 PolarHBondContact O-N 2.88Å; C217-G243 PolarHBondContact SG-O 3.1Å
218	Q	94.1	Very high	94.8	Very high	126 Å²	126	47.3 Å²	47.3	59%	0.589	28%	0.276	S	S	*	.			trans	-60.3	134.9	178.2	-174.4	173.6	21.6	0	0	112.7	H213 T215	H213-Q218 WeakPolarHBondContact O-CB 3.34Å; H213-Q218 WeakPolarHBondContact O-CG 3.18Å; T215-Q218 WeakPolarHBondContact O-CB 3.5Å; T215-Q218 PolarHBondContact O-N 2.81Å; T215-Q218 VanDerWaalsContact O-N 3.11Å
219	R	92.1	Very high	95.1	Very high	27 Å²	27	46.7 Å²	46.7	10%	0.102	27%	0.27	C	S	.	.			trans	-137	137.1	171.5	-63.7	-168.8	-69.1	-170.5	-3	110	C217 G240 G241 A242 D260 S261 V263	C217-R219 PolarHBondContact O-N 3.03Å; R219-G240 PolarHBondContact NH2-O 2.83Å; R219-G241 PolarHBondContact NE-O 3.17Å; R219-G241 PolarHBondContact NH2-O 2.77Å; R219-A242 PolarHBondContact NH2-O 3.34Å; R219-A242 VanDerWaalsContact NH2-O 3.11Å; R219-D260 PolarHBondContact NH1-O 2.85Å; R219-S261 PolarHBondContact NH1-O 2.9Å; R219-V263 PolarHBondContact NH1-O 3.1Å; R219-V263 PolarHBondContact NH2-O 3.17Å
220	T	87.5	Confident	95.1	Very high	131 Å²	131	44.7 Å²	44.7	80%	0.804	26%	0.257	S	S	*	.	S	Bend	trans	-87.2	-15.5	-173.2	43.3	0	0	0	0	114.3
221	D	91.2	Very high	95	Very high	116 Å²	116	44.7 Å²	44.7	62%	0.62	26%	0.258	S	S	*	.	S	Bend	trans	-119.1	-19.1	-157	21.9	-43.4	0	0	0	112.2
222	L	93.4	Very high	94.9	Very high	38 Å²	38	42.1 Å²	42.1	20%	0.199	25%	0.245	C	C	.	.	S	Bend	trans	-112	1.6	-179.4	-59.3	179.8	0	0	0	113.7	W225 G241 S261 E264	L222-W225 PolarHBondContact O-NE1 2.96Å; L222-G241 WeakPolarHBondContact O-CA 3.39Å; L222-S261 WeakPolarHBondContact CD1-O 3.48Å; L222-E264 HydrophobicContact CB-CG 4.39Å; L222-E264 HydrophobicContact CD1-CG 4.23Å; L222-E264 HydrophobicContact CD2-CG 4.03Å; L222-E264 HydrophobicContact CG-CG 4.45Å
223	G	92.8	Very high	94.7	Very high	31 Å²	31	46.8 Å²	46.8	32%	0.32	27%	0.265	S	S	.	.			trans	81.4	-175.6	178.8	0	0	0	0	0	114.4	G241 A242	G223-G241 CarbonylContact O-C 3.39Å; G223-G241 WeakPolarHBondContact O-CA 3.33Å; G223-A242 PolarHBondContact O-N 3.28Å
224	D	96.2	Very high	94.7	Very high	72 Å²	72	51 Å²	51	39%	0.385	29%	0.285	S	S	.	.	S	Bend	trans	-105.1	-11.8	-168.4	-64	-31.2	0	0	0	113.8	G186 H213	G186-D224 WeakPolarHBondContact CA-O 3.26Å; H213-D224 HydrophobicContact CB-CB 3.83Å; H213-D224 VanDerWaalsContact CB-OD1 3.28Å; H213-D224 WeakPolarHBondContact CB-OD1 3.47Å; H213-D224 IonicContact CD2-OD1 3.94Å; H213-D224 IonicContact CD2-OD2 2.7Å; H213-D224 IonicContact CG-OD1 3.08Å
225	W	97.4	Very high	94.7	Very high	27 Å²	27	46.8 Å²	46.8	10%	0.102	26%	0.262	C	S	.	.			trans	-61.2	151.3	-170.1	59.5	-85.7	0	0	0	113	E184 L222 G227 G240 G241 A242 E264 Y266	E184-W225 VanDerWaalsContact OE2-CB 3.25Å; E184-W225 WeakPolarHBondContact OE2-CB 3.34Å; L222-W225 PolarHBondContact O-NE1 2.96Å; W225-G227 VanDerWaalsContact CZ3-CA 3.49Å; W225-G240 CarbonylContact O-C 3.57Å; W225-G240 VanDerWaalsContact O-CA 3.31Å; W225-G240 WeakPolarHBondContact O-CA 3.46Å; W225-G241 VanDerWaalsContact CD2-N 3.28Å; W225-G241 VanDerWaalsContact CE2-CA 3.5Å; W225-G241 VanDerWaalsContact NE1-CA 3.33Å; W225-G241 PolarHBondContact O-N 2.93Å; W225-A242 PolarHBondContact O-N 3.3Å; W225-E264 HydrophobicContact CH2-CB 4.1Å; W225-E264 HydrophobicContact CZ2-CB 3.88Å; W225-E264 HydrophobicContact CZ2-CG 4.15Å; W225-Y266 AromaticContact CH2-CD1 3.59Å; W225-Y266 HydrophobicContact CH2-CD1 3.59Å; W225-Y266 AromaticContact CH2-CE1 3.24Å; W225-Y266 HydrophobicContact CH2-CE1 3.24Å; W225-Y266 AromaticContact CH2-CZ 3.89Å; W225-Y266 HydrophobicContact CZ2-CE1 4.02Å; W225-Y266 AromaticContact CZ3-CD1 3.92Å; W225-Y266 HydrophobicContact CZ3-CD1 3.92Å; W225-Y266 AromaticContact CZ3-CE1 3.93Å; W225-Y266 HydrophobicContact CZ3-CE1 3.93Å
226	I	98.2	Very high	94.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.6	176.9	-51.8	-55.6	0	0	0	109	H169 G183 V188 P212 I229 A242	H169-I226 WeakPolarHBondContact CB-O 2.84Å; H169-I226 PolarHBondContact CD2-O 2.83Å; G183-I226 PolarHBondContact O-N 2.93Å; V188-I226 HydrophobicContact CG2-CD1 4.44Å; V188-I226 HydrophobicContact CG2-CG1 3.99Å; V188-I226 HydrophobicContact CG2-CG2 4.02Å; P212-I226 HydrophobicContact CB-CD1 3.98Å; P212-I226 HydrophobicContact CG-CD1 3.65Å; I226-I229 HydrophobicContact CG2-CD1 4.17Å; I226-I229 HydrophobicContact CG2-CG1 3.96Å; I226-A242 HydrophobicContact CD1-CB 3.96Å
227	G	95.6	Very high	95	Very high	8 Å²	8	41.9 Å²	41.9	8%	0.082	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-33.8	-178.4	0	0	0	0	0	114	C170 W225 G239 W265	C170-G227 WeakPolarHBondContact CB-O 3.45Å; W225-G227 VanDerWaalsContact CZ3-CA 3.49Å; G227-G239 PolarHBondContact N-O 3.13Å; G227-W265 WeakPolarHBondContact CA-O 3.3Å
228	C	96	Very high	95.1	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.02	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.4	-176.1	62.9	0	0	0	0	113.5	C238 G239 A267 A268	C228-C238 WeakPolarHBondContact O-CA 3.19Å; C228-C238 WeakPolarHBondContact O-CB 3.28Å; C228-G239 PolarHBondContact N-O 2.96Å; C228-G239 PolarHBondContact O-N 2.81Å; C228-G239 VanDerWaalsContact O-N 3.1Å; C228-A267 VanDerWaalsContact CB-C 3.48Å; C228-A268 HydrophobicContact CB-CB 3.72Å
229	I	98	Very high	95.2	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	137	174.1	-59.7	164.5	0	0	0	108	A172 L180 V188 I226 M236 I237 C238	A172-I229 HydrophobicContact CB-CB 4.35Å; A172-I229 HydrophobicContact CB-CG2 3.88Å; L180-I229 HydrophobicContact CB-CD1 4.5Å; L180-I229 HydrophobicContact CB-CG2 4.34Å; L180-I229 HydrophobicContact CD2-CG2 4.36Å; V188-I229 HydrophobicContact CB-CD1 4.47Å; V188-I229 HydrophobicContact CG1-CD1 3.82Å; V188-I229 HydrophobicContact CG2-CD1 4Å; V188-I229 HydrophobicContact CG2-CG1 4.49Å; I226-I229 HydrophobicContact CG2-CD1 4.17Å; I226-I229 HydrophobicContact CG2-CG1 3.96Å; I229-M236 HydrophobicContact CG2-CG 4.06Å; I229-M236 HydrophobicContact CG2-SD 3.99Å; I229-I237 WeakPolarHBondContact CA-O 3.42Å; I229-C238 HydrophobicContact CB-CB 4.42Å; I229-C238 HydrophobicContact CG1-CB 3.75Å
230	T	95.9	Very high	95.4	Very high	22 Å²	22	34.4 Å²	34.4	14%	0.135	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	158.4	160.9	-169.3	0	0	0	0	110.5	M236 I237 A268 F275	T230-M236 WeakPolarHBondContact O-CA 3.44Å; T230-I237 HydrophobicContact CG2-CG2 3.36Å; T230-I237 PolarHBondContact N-O 2.77Å; T230-I237 PolarHBondContact O-N 3.32Å; T230-A268 HydrophobicContact CG2-CB 3.9Å; T230-F275 HydrophobicContact CG2-CD1 3.65Å; T230-F275 HydrophobicContact CG2-CE1 3.96Å
231	T	95.7	Very high	95.8	Very high	12 Å²	12	28.1 Å²	28.1	7%	0.074	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.6	-172.2	62.6	0	0	0	0	111.6	A172 L180 F235 M236 L249 R270	A172-T231 HydrophobicContact CB-CG2 4.4Å; L180-T231 HydrophobicContact CD1-CG2 3.94Å; L180-T231 HydrophobicContact CD2-CG2 4.34Å; T231-F235 CarbonylContact C-O 3.57Å; T231-F235 WeakPolarHBondContact CA-O 3.44Å; T231-M236 HydrophobicContact CG2-CB 4.23Å; T231-M236 HydrophobicContact CG2-CG 4.2Å; T231-L249 HydrophobicContact CG2-CD1 4.47Å; T231-L249 HydrophobicContact CG2-CD2 4.46Å; T231-R270 WeakPolarHBondContact O-CD 3.3Å
232	Y	94.7	Very high	96	Very high	29 Å²	29	22.6 Å²	22.6	11%	0.114	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	118.1	169.7	-177.6	-119.4	0	0	0	110.6	E234 F235 R270 K272 E273 L289	Y232-E234 PolarHBondContact O-N 2.84Å; Y232-F235 PolarHBondContact N-O 3.49Å; Y232-F235 WeakPolarHBondContact O-CA 3.09Å; Y232-F235 WeakPolarHBondContact O-CB 3.49Å; Y232-F235 PolarHBondContact O-N 3.04Å; Y232-R270 VanDerWaalsContact CB-CD 3.45Å; Y232-R270 HydrophobicContact CD2-CG 4.5Å; Y232-R270 HydrophobicContact CG-CG 4.5Å; Y232-K272 WeakPolarHBondContact CE1-O 3.42Å; Y232-K272 WeakPolarHBondContact CE2-O 3.46Å; Y232-E273 HydrophobicContact CE1-CB 4.34Å; Y232-E273 HydrophobicContact CE1-CG 3.91Å; Y232-L289 HydrophobicContact CD1-CD1 3.58Å; Y232-L289 HydrophobicContact CD1-CD2 3.71Å; Y232-L289 HydrophobicContact CD1-CG 4.29Å; Y232-L289 HydrophobicContact CE1-CD1 3.73Å; Y232-L289 HydrophobicContact CE1-CD2 4.5Å; Y232-L289 HydrophobicContact CG-CD2 4.47Å
233	K	94.2	Very high	96.1	Very high	99 Å²	99	21.2 Å²	21.2	43%	0.43	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-127.5	-175.7	-53.4	174.9	174.9	165.9	0	110.1	H174 F235 E273	H174-K233 PolarHBondContact NE2-O 3.35Å; K233-F235 PolarHBondContact O-N 2.58Å; K233-E273 IonicContact NZ-OE1 3.46Å
234	E	95.2	Very high	96.3	Very high	105 Å²	105	19.8 Å²	19.8	49%	0.491	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.3	178	66	-91.2	-147.3	0	0	115.2	Y232 Y248 L249	Y232-E234 PolarHBondContact O-N 2.84Å; E234-Y248 HydrophobicContact CG-CD1 4.46Å; E234-Y248 CarbonylContact O-C 3.16Å; E234-Y248 WeakPolarHBondContact O-CA 3.45Å; E234-L249 WeakPolarHBondContact O-CB 3.4Å; E234-L249 PolarHBondContact O-N 2.83Å
235	F	96.7	Very high	96.4	Very high	19 Å²	19	16.3 Å²	16.3	8%	0.083	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	147	-176.3	-59.2	-83	0	0	0	112.3	T231 Y232 K233 V246 Y248 L255 F275 L289	T231-F235 CarbonylContact C-O 3.57Å; T231-F235 WeakPolarHBondContact CA-O 3.44Å; Y232-F235 PolarHBondContact N-O 3.49Å; Y232-F235 WeakPolarHBondContact O-CA 3.09Å; Y232-F235 WeakPolarHBondContact O-CB 3.49Å; Y232-F235 PolarHBondContact O-N 3.04Å; K233-F235 PolarHBondContact O-N 2.58Å; F235-V246 HydrophobicContact CD1-CG1 4.37Å; F235-Y248 HydrophobicContact CD1-CD1 4.38Å; F235-Y248 HydrophobicContact CD1-CE1 4.19Å; F235-Y248 HydrophobicContact CE1-CD1 4.16Å; F235-Y248 AromaticContact CE1-CE1 3.54Å; F235-Y248 HydrophobicContact CE1-CE1 3.54Å; F235-Y248 HydrophobicContact CZ-CE1 4.07Å; F235-L255 HydrophobicContact CD1-CD2 4.24Å; F235-L255 HydrophobicContact CE1-CD2 3.95Å; F235-F275 HydrophobicContact CB-CE2 4.21Å; F235-F275 HydrophobicContact CB-CZ 4.04Å; F235-L289 HydrophobicContact CD1-CB 4.44Å; F235-L289 WeakPolarHBondContact CD1-O 3.47Å; F235-L289 HydrophobicContact CD2-CB 4.09Å; F235-L289 HydrophobicContact CD2-CD1 3.91Å; F235-L289 HydrophobicContact CD2-CG 4.41Å; F235-L289 HydrophobicContact CE2-CB 4.26Å; F235-L289 HydrophobicContact CE2-CD1 4.08Å; F235-L289 HydrophobicContact CG-CB 4.18Å
236	M	96.8	Very high	96.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.8	170.9	172	-177.1	64.1	0	0	108.8	L180 V188 M210 I229 T230 T231 V246 W247 L249 F252	L180-M236 HydrophobicContact CD2-SD 3.28Å; L180-M236 WeakPolarHBondContact CD2-SD 3.49Å; V188-M236 HydrophobicContact CG1-SD 4.46Å; M210-M236 HydrophobicContact CE-CE 3.38Å; M210-M236 HydrophobicContact SD-CE 3.88Å; I229-M236 HydrophobicContact CG2-CG 4.06Å; I229-M236 HydrophobicContact CG2-SD 3.99Å; T230-M236 WeakPolarHBondContact O-CA 3.44Å; T231-M236 HydrophobicContact CG2-CB 4.23Å; T231-M236 HydrophobicContact CG2-CG 4.2Å; M236-V246 CarbonylContact O-C 2.89Å; M236-V246 WeakPolarHBondContact O-CA 3.34Å; M236-W247 HydrophobicContact CB-CB 4.42Å; M236-W247 HydrophobicContact CE-CB 3.58Å; M236-W247 HydrophobicContact CE-CG 3.75Å; M236-W247 PolarHBondContact N-O 2.88Å; M236-W247 PolarHBondContact O-N 2.94Å; M236-L249 HydrophobicContact CB-CD1 4.46Å; M236-L249 HydrophobicContact SD-CD1 4.45Å; M236-F252 HydrophobicContact CE-CD1 4.26Å; M236-F252 HydrophobicContact CE-CE1 4.5Å
237	I	97.6	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.5	165	-165.5	170.9	0	0	0	108.6	I229 T230 L244 G245 V246 L258 A268 F275 T277 W287	I229-I237 WeakPolarHBondContact CA-O 3.42Å; T230-I237 HydrophobicContact CG2-CG2 3.36Å; T230-I237 PolarHBondContact N-O 2.77Å; T230-I237 PolarHBondContact O-N 3.32Å; I237-L244 HydrophobicContact CD1-CD1 4.25Å; I237-L244 HydrophobicContact CD1-CD2 4.11Å; I237-L244 HydrophobicContact CD1-CG 4.17Å; I237-L244 HydrophobicContact CG1-CD1 3.98Å; I237-L244 HydrophobicContact CG1-CG 4.17Å; I237-G245 WeakPolarHBondContact CA-O 3.2Å; I237-G245 WeakPolarHBondContact CG1-O 3.33Å; I237-V246 HydrophobicContact CD1-CG2 4.23Å; I237-V246 HydrophobicContact CG1-CG2 4.18Å; I237-L258 HydrophobicContact CD1-CD1 3.8Å; I237-L258 HydrophobicContact CG1-CD1 4.46Å; I237-A268 HydrophobicContact CG2-CB 4.34Å; I237-F275 HydrophobicContact CB-CD1 4.4Å; I237-F275 HydrophobicContact CB-CD2 3.92Å; I237-F275 HydrophobicContact CB-CE2 4.16Å; I237-F275 HydrophobicContact CB-CG 4.04Å; I237-F275 HydrophobicContact CD1-CB 3.87Å; I237-F275 HydrophobicContact CD1-CD2 4.17Å; I237-F275 HydrophobicContact CD1-CG 4.21Å; I237-F275 HydrophobicContact CG2-CB 4Å; I237-F275 HydrophobicContact CG2-CD1 3.65Å; I237-F275 HydrophobicContact CG2-CD2 4.04Å; I237-F275 HydrophobicContact CG2-CE1 4.07Å; I237-F275 HydrophobicContact CG2-CE2 4.41Å; I237-F275 HydrophobicContact CG2-CG 3.63Å; I237-F275 HydrophobicContact CG2-CZ 4.43Å; I237-T277 HydrophobicContact CD1-CG2 3.75Å; I237-W287 HydrophobicContact CD1-CG 4.42Å
238	C	97.7	Very high	96.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152	173	72.8	0	0	0	0	111.9	C228 I229 G245 W247	C228-C238 WeakPolarHBondContact O-CA 3.19Å; C228-C238 WeakPolarHBondContact O-CB 3.28Å; I229-C238 HydrophobicContact CB-CB 4.42Å; I229-C238 HydrophobicContact CG1-CB 3.75Å; C238-G245 PolarHBondContact N-O 2.94Å; C238-G245 VanDerWaalsContact N-O 3.08Å; C238-G245 PolarHBondContact O-N 2.97Å; C238-W247 PolarHBondContact SG-NE1 3.48Å
239	G	96.8	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	176.6	178	0	0	0	0	0	111.6	G227 C228	G227-G239 PolarHBondContact N-O 3.13Å; C228-G239 PolarHBondContact N-O 2.96Å; C228-G239 PolarHBondContact O-N 2.81Å; C228-G239 VanDerWaalsContact O-N 3.1Å
240	G	95.5	Very high	96.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-123.4	177.9	0	0	0	0	0	109.8	R219 W225 A242 W265	R219-G240 PolarHBondContact NH2-O 2.83Å; W225-G240 CarbonylContact O-C 3.57Å; W225-G240 VanDerWaalsContact O-CA 3.31Å; W225-G240 WeakPolarHBondContact O-CA 3.46Å; G240-A242 CarbonylContact C-O 3.59Å; G240-A242 PolarHBondContact N-O 2.95Å; G240-W265 VanDerWaalsContact CA-O 3.31Å; G240-W265 WeakPolarHBondContact CA-O 3.34Å; G240-W265 PolarHBondContact O-N 3.37Å
241	G	95.5	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-68.5	-39.1	158.6	0	0	0	0	0	110.7	R219 L222 G223 W225	R219-G241 PolarHBondContact NE-O 3.17Å; R219-G241 PolarHBondContact NH2-O 2.77Å; L222-G241 WeakPolarHBondContact O-CA 3.39Å; G223-G241 CarbonylContact O-C 3.39Å; G223-G241 WeakPolarHBondContact O-CA 3.33Å; W225-G241 VanDerWaalsContact CD2-N 3.28Å; W225-G241 VanDerWaalsContact CE2-CA 3.5Å; W225-G241 VanDerWaalsContact NE1-CA 3.33Å; W225-G241 PolarHBondContact O-N 2.93Å
242	A	95.4	Very high	96	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-61.8	142.8	164.6	0	0	0	0	0	110.1	P212 H213 R219 G223 W225 I226 G240	P212-A242 HydrophobicContact CB-CB 3.92Å; H213-A242 HydrophobicContact CB-CB 4.21Å; R219-A242 PolarHBondContact NH2-O 3.34Å; R219-A242 VanDerWaalsContact NH2-O 3.11Å; G223-A242 PolarHBondContact O-N 3.28Å; W225-A242 PolarHBondContact O-N 3.3Å; I226-A242 HydrophobicContact CD1-CB 3.96Å; G240-A242 CarbonylContact C-O 3.59Å; G240-A242 PolarHBondContact N-O 2.95Å
243	G	96	Very high	96	Very high	8 Å²	8	29.7 Å²	29.7	8%	0.082	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-56.3	146.9	178.4	0	0	0	0	0	111.8	C217	C217-G243 VanDerWaalsContact CB-O 3.31Å; C217-G243 WeakPolarHBondContact CB-O 3.22Å; C217-G243 WeakPolarHBondContact O-CA 3.2Å; C217-G243 PolarHBondContact O-N 2.88Å; C217-G243 PolarHBondContact SG-O 3.1Å
244	L	97.6	Very high	96.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-66.1	136.8	177.2	-167.9	71.7	0	0	0	109.6	I237 L258 W265 T277 W287	I237-L244 HydrophobicContact CD1-CD1 4.25Å; I237-L244 HydrophobicContact CD1-CD2 4.11Å; I237-L244 HydrophobicContact CD1-CG 4.17Å; I237-L244 HydrophobicContact CG1-CD1 3.98Å; I237-L244 HydrophobicContact CG1-CG 4.17Å; L244-L258 HydrophobicContact CB-CB 4.2Å; L244-L258 HydrophobicContact CD2-CB 4.26Å; L244-L258 HydrophobicContact CD2-CD1 3.62Å; L244-L258 HydrophobicContact CD2-CG 4.45Å; L244-L258 HydrophobicContact CG-CB 4.37Å; L244-L258 HydrophobicContact CG-CD1 3.87Å; L244-L258 HydrophobicContact CG-CG 4.4Å; L244-L258 PolarHBondContact O-N 3.3Å; L244-W265 HydrophobicContact CB-CD2 4.05Å; L244-W265 HydrophobicContact CB-CG 4.12Å; L244-W265 HydrophobicContact CB-CZ2 4.1Å; L244-W265 HydrophobicContact CD1-CB 4.4Å; L244-W265 HydrophobicContact CD1-CD2 4.13Å; L244-W265 HydrophobicContact CD1-CG 4.06Å; L244-W265 HydrophobicContact CD2-CD2 4.02Å; L244-W265 HydrophobicContact CD2-CE3 4.1Å; L244-W265 HydrophobicContact CD2-CH2 3.98Å; L244-W265 HydrophobicContact CD2-CZ2 3.89Å; L244-W265 HydrophobicContact CD2-CZ3 4.1Å; L244-W265 HydrophobicContact CG-CD2 4.31Å; L244-T277 HydrophobicContact CD1-CG2 4.08Å; L244-T277 HydrophobicContact CD2-CG2 3.91Å; L244-W287 HydrophobicContact CD2-CZ2 3.85Å
245	G	97.5	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.2	-179.6	0	0	0	0	0	111.5	I237 C238 W247 K256	I237-G245 WeakPolarHBondContact CA-O 3.2Å; I237-G245 WeakPolarHBondContact CG1-O 3.33Å; C238-G245 PolarHBondContact N-O 2.94Å; C238-G245 VanDerWaalsContact N-O 3.08Å; C238-G245 PolarHBondContact O-N 2.97Å; G245-W247 PolarHBondContact O-NE1 2.86Å; G245-W247 VanDerWaalsContact O-NE1 3.15Å; G245-K256 WeakPolarHBondContact CA-O 3.31Å
246	V	98	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.9	166.1	-177.8	0	0	0	0	109.1	F235 M236 I237 L255 K256 L258 L289	F235-V246 HydrophobicContact CD1-CG1 4.37Å; M236-V246 CarbonylContact O-C 2.89Å; M236-V246 WeakPolarHBondContact O-CA 3.34Å; I237-V246 HydrophobicContact CD1-CG2 4.23Å; I237-V246 HydrophobicContact CG1-CG2 4.18Å; V246-L255 HydrophobicContact CG1-CB 4.45Å; V246-L255 HydrophobicContact CG1-CD2 4.01Å; V246-L255 WeakPolarHBondContact O-CA 3.3Å; V246-L255 WeakPolarHBondContact O-CB 3.38Å; V246-L255 PolarHBondContact O-N 3.04Å; V246-K256 PolarHBondContact N-O 3.21Å; V246-K256 PolarHBondContact O-N 3.16Å; V246-L258 HydrophobicContact CG2-CD1 3.93Å; V246-L258 HydrophobicContact CG2-CD2 4.08Å; V246-L258 HydrophobicContact CG2-CG 4.3Å; V246-L289 WeakPolarHBondContact CG1-O 3.43Å
247	W	98	Very high	96.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.5	-170.3	-52.8	82.6	0	0	0	110.5	M210 P212 T215 M236 C238 G245 E253 L254	M210-W247 HydrophobicContact CE-CD2 4.12Å; M210-W247 HydrophobicContact CE-CE3 4.43Å; M210-W247 HydrophobicContact CE-CG 4.44Å; M210-W247 HydrophobicContact CE-CZ2 4.42Å; M210-W247 HydrophobicContact CG-CE3 4.41Å; M210-W247 HydrophobicContact CG-CH2 4.37Å; M210-W247 HydrophobicContact CG-CZ3 4.07Å; M210-W247 HydrophobicContact SD-CD2 3.51Å; M210-W247 VanDerWaalsContact SD-CD2 3.51Å; M210-W247 HydrophobicContact SD-CE3 3.25Å; M210-W247 HydrophobicContact SD-CG 4.13Å; M210-W247 HydrophobicContact SD-CH2 3.91Å; M210-W247 HydrophobicContact SD-CZ2 4.17Å; M210-W247 HydrophobicContact SD-CZ3 3.46Å; M210-W247 WeakPolarHBondContact SD-CZ3 3.44Å; P212-W247 HydrophobicContact CB-CH2 4.25Å; P212-W247 HydrophobicContact CB-CZ2 3.81Å; P212-W247 HydrophobicContact CG-CH2 4.36Å; P212-W247 HydrophobicContact CG-CZ2 3.93Å; T215-W247 HydrophobicContact CG2-CH2 3.57Å; T215-W247 HydrophobicContact CG2-CZ3 3.95Å; T215-W247 VanDerWaalsContact OG1-CH2 3.29Å; T215-W247 WeakPolarHBondContact OG1-CH2 3.08Å; M236-W247 HydrophobicContact CB-CB 4.42Å; M236-W247 HydrophobicContact CE-CB 3.58Å; M236-W247 HydrophobicContact CE-CG 3.75Å; M236-W247 PolarHBondContact N-O 2.88Å; M236-W247 PolarHBondContact O-N 2.94Å; C238-W247 PolarHBondContact SG-NE1 3.48Å; G245-W247 PolarHBondContact O-NE1 2.86Å; G245-W247 VanDerWaalsContact O-NE1 3.15Å; W247-E253 VanDerWaalsContact CA-O 3.31Å; W247-E253 WeakPolarHBondContact CA-O 3.42Å; W247-L254 HydrophobicContact CD2-CB 4.34Å; W247-L254 HydrophobicContact CD2-CD1 3.88Å; W247-L254 HydrophobicContact CE3-CB 3.7Å; W247-L254 HydrophobicContact CE3-CD1 4.09Å; W247-L254 VanDerWaalsContact CE3-N 3.3Å; W247-L254 HydrophobicContact CH2-CB 3.99Å; W247-L254 HydrophobicContact CH2-CD1 3.93Å; W247-L254 HydrophobicContact CH2-CG 4.4Å; W247-L254 HydrophobicContact CZ2-CD1 3.66Å; W247-L254 HydrophobicContact CZ3-CB 3.51Å; W247-L254 HydrophobicContact CZ3-CD1 4.13Å; W247-L254 HydrophobicContact CZ3-CG 4.35Å
248	Y	96.7	Very high	96.1	Very high	85 Å²	85	31.1 Å²	31.1	33%	0.333	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117	165	-76	-65.6	0	0	0	109.7	E234 F235 G250 S251 F252 E253 L255	E234-Y248 HydrophobicContact CG-CD1 4.46Å; E234-Y248 CarbonylContact O-C 3.16Å; E234-Y248 WeakPolarHBondContact O-CA 3.45Å; F235-Y248 HydrophobicContact CD1-CD1 4.38Å; F235-Y248 HydrophobicContact CD1-CE1 4.19Å; F235-Y248 HydrophobicContact CE1-CD1 4.16Å; F235-Y248 AromaticContact CE1-CE1 3.54Å; F235-Y248 HydrophobicContact CE1-CE1 3.54Å; F235-Y248 HydrophobicContact CZ-CE1 4.07Å; Y248-G250 VanDerWaalsContact C-N 3.27Å; Y248-G250 PolarHBondContact O-N 2.82Å; Y248-S251 PolarHBondContact O-N 3.14Å; Y248-F252 VanDerWaalsContact O-CA 3.23Å; Y248-F252 WeakPolarHBondContact O-CA 3.34Å; Y248-F252 PolarHBondContact O-N 3.47Å; Y248-E253 PolarHBondContact N-O 2.84Å; Y248-L255 HydrophobicContact CD2-CB 4.32Å; Y248-L255 HydrophobicContact CE2-CB 4.2Å; Y248-L255 HydrophobicContact CE2-CD1 3.68Å; Y248-L255 HydrophobicContact CE2-CD2 4.46Å; Y248-L255 HydrophobicContact CE2-CG 4.32Å
249	L	95	Very high	95.2	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-33	-175.6	-178.2	62.5	0	0	0	112.9	H174 L178 L180 T231 E234 M236 F252	H174-L249 HydrophobicContact CB-CD2 4.06Å; H174-L249 VanDerWaalsContact CG-CD2 3.45Å; L178-L249 HydrophobicContact CD1-CG 4.46Å; L180-L249 HydrophobicContact CD1-CD1 4.23Å; L180-L249 HydrophobicContact CD2-CD1 3.7Å; L180-L249 HydrophobicContact CG-CD1 4.49Å; T231-L249 HydrophobicContact CG2-CD1 4.47Å; T231-L249 HydrophobicContact CG2-CD2 4.46Å; E234-L249 WeakPolarHBondContact O-CB 3.4Å; E234-L249 PolarHBondContact O-N 2.83Å; M236-L249 HydrophobicContact CB-CD1 4.46Å; M236-L249 HydrophobicContact SD-CD1 4.45Å; L249-F252 HydrophobicContact CD1-CE1 4.3Å; L249-F252 HydrophobicContact CD1-CZ 4.28Å; L249-F252 VanDerWaalsContact O-CE2 3.28Å; L249-F252 WeakPolarHBondContact O-CE2 3.28Å
250	G	92.8	Very high	94.2	Very high	76 Å²	76	41 Å²	41	78%	0.784	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-36.9	-177.9	0	0	0	0	0	114.3	Y248	Y248-G250 VanDerWaalsContact C-N 3.27Å; Y248-G250 PolarHBondContact O-N 2.82Å
251	S	94.3	Very high	93.1	Very high	60 Å²	60	44.6 Å²	44.6	42%	0.42	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-11.8	-178.8	58.3	0	0	0	0	113.7	Y248 E253	Y248-S251 PolarHBondContact O-N 3.14Å; S251-E253 PolarHBondContact O-N 2.75Å; S251-E253 WeakPolarHBondContact OG-CB 3.3Å; S251-E253 WeakPolarHBondContact OG-CG 3.44Å; S251-E253 PolarHBondContact OG-N 3.48Å; S251-E253 PolarHBondContact OG-OE2 2.8Å
252	F	94.2	Very high	92.8	Very high	37 Å²	37	50.4 Å²	50.4	16%	0.162	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	26.2	-168.6	-64.6	-89.6	0	0	0	113.4	L180 C190 A208 M210 M236 Y248 L249	L180-F252 HydrophobicContact CD2-CE1 4.38Å; C190-F252 HydrophobicContact CB-CE1 4.05Å; C190-F252 HydrophobicContact CB-CE2 4.43Å; C190-F252 HydrophobicContact CB-CZ 3.52Å; A208-F252 HydrophobicContact CB-CD2 3.64Å; A208-F252 HydrophobicContact CB-CE2 3.31Å; A208-F252 HydrophobicContact CB-CG 4.38Å; A208-F252 HydrophobicContact CB-CZ 3.81Å; M210-F252 HydrophobicContact CB-CB 4.44Å; M210-F252 HydrophobicContact CB-CD1 4.15Å; M210-F252 HydrophobicContact SD-CB 4.28Å; M210-F252 HydrophobicContact SD-CD1 4.16Å; M236-F252 HydrophobicContact CE-CD1 4.26Å; M236-F252 HydrophobicContact CE-CE1 4.5Å; Y248-F252 VanDerWaalsContact O-CA 3.23Å; Y248-F252 WeakPolarHBondContact O-CA 3.34Å; Y248-F252 PolarHBondContact O-N 3.47Å; L249-F252 HydrophobicContact CD1-CE1 4.3Å; L249-F252 HydrophobicContact CD1-CZ 4.28Å; L249-F252 VanDerWaalsContact O-CE2 3.28Å; L249-F252 WeakPolarHBondContact O-CE2 3.28Å
253	E	95.5	Very high	92.7	Very high	126 Å²	126	50.6 Å²	50.6	59%	0.589	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.6	176.6	-70.8	176.5	158	0	0	110.9	W247 Y248 S251 L255	W247-E253 VanDerWaalsContact CA-O 3.31Å; W247-E253 WeakPolarHBondContact CA-O 3.42Å; Y248-E253 PolarHBondContact N-O 2.84Å; S251-E253 PolarHBondContact O-N 2.75Å; S251-E253 WeakPolarHBondContact OG-CB 3.3Å; S251-E253 WeakPolarHBondContact OG-CG 3.44Å; S251-E253 PolarHBondContact OG-N 3.48Å; S251-E253 PolarHBondContact OG-OE2 2.8Å; E253-L255 PolarHBondContact O-N 2.9Å
254	L	97.3	Very high	92.6	Very high	49 Å²	49	52.7 Å²	52.7	26%	0.257	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	115.3	175	-179.3	64.4	0	0	0	109	W247 P257	W247-L254 HydrophobicContact CD2-CB 4.34Å; W247-L254 HydrophobicContact CD2-CD1 3.88Å; W247-L254 HydrophobicContact CE3-CB 3.7Å; W247-L254 HydrophobicContact CE3-CD1 4.09Å; W247-L254 VanDerWaalsContact CE3-N 3.3Å; W247-L254 HydrophobicContact CH2-CB 3.99Å; W247-L254 HydrophobicContact CH2-CD1 3.93Å; W247-L254 HydrophobicContact CH2-CG 4.4Å; W247-L254 HydrophobicContact CZ2-CD1 3.66Å; W247-L254 HydrophobicContact CZ3-CB 3.51Å; W247-L254 HydrophobicContact CZ3-CD1 4.13Å; W247-L254 HydrophobicContact CZ3-CG 4.35Å; L254-P257 HydrophobicContact CD2-CB 4.32Å; L254-P257 HydrophobicContact CD2-CG 4.36Å
255	L	96.6	Very high	92.5	Very high	59 Å²	59	52.7 Å²	52.7	31%	0.309	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-52.5	171.7	173.8	62	0	0	0	110.1	F235 V246 Y248 E253	F235-L255 HydrophobicContact CD1-CD2 4.24Å; F235-L255 HydrophobicContact CE1-CD2 3.95Å; V246-L255 HydrophobicContact CG1-CB 4.45Å; V246-L255 HydrophobicContact CG1-CD2 4.01Å; V246-L255 WeakPolarHBondContact O-CA 3.3Å; V246-L255 WeakPolarHBondContact O-CB 3.38Å; V246-L255 PolarHBondContact O-N 3.04Å; Y248-L255 HydrophobicContact CD2-CB 4.32Å; Y248-L255 HydrophobicContact CE2-CB 4.2Å; Y248-L255 HydrophobicContact CE2-CD1 3.68Å; Y248-L255 HydrophobicContact CE2-CD2 4.46Å; Y248-L255 HydrophobicContact CE2-CG 4.32Å; E253-L255 PolarHBondContact O-N 2.9Å
256	K	96.7	Very high	92.2	Very high	69 Å²	69	55.2 Å²	55.2	30%	0.3	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	122.2	-176.3	-166.7	179	179.8	-167.3	0	111.5	G245 V246 L258 N290 G291 D292	G245-K256 WeakPolarHBondContact CA-O 3.31Å; V246-K256 PolarHBondContact N-O 3.21Å; V246-K256 PolarHBondContact O-N 3.16Å; K256-L258 HydrophobicContact CB-CD2 4.31Å; K256-L258 HydrophobicContact CD-CD2 4.22Å; K256-L258 HydrophobicContact CG-CD2 4.16Å; K256-N290 VanDerWaalsContact CD-O 3.27Å; K256-N290 WeakPolarHBondContact CD-O 3.4Å; K256-G291 WeakPolarHBondContact CE-O 3.39Å; K256-G291 PolarHBondContact NZ-O 2.94Å; K256-D292 IonicContact NZ-OD1 2.95Å; K256-D292 PolarHBondContact NZ-OD1 3.29Å
257	P	96.3	Very high	91.8	Very high	59 Å²	59	55.4 Å²	55.4	38%	0.383	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.1	163	29.9	-31	0	0	0	109	L254	L254-P257 HydrophobicContact CD2-CB 4.32Å; L254-P257 HydrophobicContact CD2-CG 4.36Å
258	L	95.1	Very high	91.6	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.084	31%	0.31	C	S	.	.			trans	-95.4	141.2	-174.4	-54.4	-169.1	0	0	0	111.3	I237 L244 V246 K256 D260 W287 G291	I237-L258 HydrophobicContact CD1-CD1 3.8Å; I237-L258 HydrophobicContact CG1-CD1 4.46Å; L244-L258 HydrophobicContact CB-CB 4.2Å; L244-L258 HydrophobicContact CD2-CB 4.26Å; L244-L258 HydrophobicContact CD2-CD1 3.62Å; L244-L258 HydrophobicContact CD2-CG 4.45Å; L244-L258 HydrophobicContact CG-CB 4.37Å; L244-L258 HydrophobicContact CG-CD1 3.87Å; L244-L258 HydrophobicContact CG-CG 4.4Å; L244-L258 PolarHBondContact O-N 3.3Å; V246-L258 HydrophobicContact CG2-CD1 3.93Å; V246-L258 HydrophobicContact CG2-CD2 4.08Å; V246-L258 HydrophobicContact CG2-CG 4.3Å; K256-L258 HydrophobicContact CB-CD2 4.31Å; K256-L258 HydrophobicContact CD-CD2 4.22Å; K256-L258 HydrophobicContact CG-CD2 4.16Å; L258-D260 PolarHBondContact O-N 3.4Å; L258-W287 HydrophobicContact CB-CH2 4.03Å; L258-W287 HydrophobicContact CB-CZ3 3.99Å; L258-W287 HydrophobicContact CD1-CD2 3.73Å; L258-W287 HydrophobicContact CD1-CE3 3.74Å; L258-W287 HydrophobicContact CD1-CG 4.19Å; L258-W287 HydrophobicContact CD1-CH2 4.35Å; L258-W287 HydrophobicContact CD1-CZ2 4.35Å; L258-W287 HydrophobicContact CD1-CZ3 4.04Å; L258-W287 HydrophobicContact CD2-CE3 4.47Å; L258-W287 HydrophobicContact CG-CE3 4.48Å; L258-W287 HydrophobicContact CG-CZ3 4.41Å; L258-G291 VanDerWaalsContact CD2-CA 3.42Å; L258-G291 WeakPolarHBondContact CD2-O 3.34Å
259	E	78.4	Confident	91.3	Very high	172 Å²	172	52.7 Å²	52.7	80%	0.804	30%	0.297	S	S	*	.	S	Bend	trans	-85.5	95.4	-171.3	-65.5	-178.5	177	0	0	112
260	D	76.5	Confident	91.1	Very high	35 Å²	35	54.7 Å²	54.7	19%	0.187	30%	0.304	C	S	.	.			trans	-162.1	101.2	152.3	-136.7	-41.2	0	0	0	109.3	R219 L258 D262 V263 W265 Y285 K296	R219-D260 PolarHBondContact NH1-O 2.85Å; L258-D260 PolarHBondContact O-N 3.4Å; D260-D262 VanDerWaalsContact C-N 3.33Å; D260-D262 PolarHBondContact O-N 3.07Å; D260-V263 HydrophobicContact CB-CG2 4Å; D260-W265 HydrophobicContact CB-CH2 4.32Å; D260-W265 HydrophobicContact CB-CZ2 3.83Å; D260-Y285 WeakPolarHBondContact OD2-CE1 3.49Å; D260-Y285 VanDerWaalsContact OD2-CZ 3.27Å; D260-Y285 PolarHBondContact OD2-OH 3.37Å; D260-K296 IonicContact OD2-NZ 2.76Å; D260-K296 PolarHBondContact OD2-NZ 3.24Å
261	S	72.6	Confident	90.7	Very high	77 Å²	77	51.1 Å²	51.1	54%	0.538	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-32.2	-168.3	53	0	0	0	0	113.2	R219 L222	R219-S261 PolarHBondContact NH1-O 2.9Å; L222-S261 WeakPolarHBondContact CD1-O 3.48Å
262	D	88.6	Confident	90.2	Very high	122 Å²	122	50.2 Å²	50.2	65%	0.652	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	2.3	-163.2	-56.5	-7.7	0	0	0	112.8	D260	D260-D262 VanDerWaalsContact C-N 3.33Å; D260-D262 PolarHBondContact O-N 3.07Å
263	V	93.2	Very high	90	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.018	27%	0.27	C	S	.	.			trans	-96.7	124.2	-177.1	-174.6	0	0	0	0	111	R219 D260 W265 D281	R219-V263 PolarHBondContact NH1-O 3.1Å; R219-V263 PolarHBondContact NH2-O 3.17Å; D260-V263 HydrophobicContact CB-CG2 4Å; V263-W265 HydrophobicContact CB-CD2 4.38Å; V263-W265 HydrophobicContact CB-CH2 4.19Å; V263-W265 HydrophobicContact CB-CZ2 3.81Å; V263-W265 HydrophobicContact CG1-CD2 3.88Å; V263-W265 HydrophobicContact CG1-CE3 3.88Å; V263-W265 HydrophobicContact CG1-CH2 3.99Å; V263-W265 HydrophobicContact CG1-CZ2 3.98Å; V263-W265 HydrophobicContact CG1-CZ3 3.92Å; V263-W265 HydrophobicContact CG2-CZ2 4.41Å; V263-W265 PolarHBondContact O-NE1 3.2Å; V263-D281 HydrophobicContact CG2-CB 4.18Å
264	E	93.8	Very high	89.8	Confident	52 Å²	52	49.8 Å²	49.8	24%	0.243	25%	0.253	C	S	.	.			trans	-83.5	122.9	164.7	-63.8	174.2	125.7	0	0	108.3	L222 W225 Y266 G279 S280	L222-E264 HydrophobicContact CB-CG 4.39Å; L222-E264 HydrophobicContact CD1-CG 4.23Å; L222-E264 HydrophobicContact CD2-CG 4.03Å; L222-E264 HydrophobicContact CG-CG 4.45Å; W225-E264 HydrophobicContact CH2-CB 4.1Å; W225-E264 HydrophobicContact CZ2-CB 3.88Å; W225-E264 HydrophobicContact CZ2-CG 4.15Å; E264-Y266 HydrophobicContact CB-CE2 3.86Å; E264-Y266 WeakPolarHBondContact O-CD2 3.16Å; E264-Y266 PolarHBondContact OE2-OH 3.31Å; E264-G279 CarbonylContact O-C 3.6Å; E264-G279 WeakPolarHBondContact O-CA 3.48Å; E264-S280 PolarHBondContact N-OG 3.19Å; E264-S280 PolarHBondContact O-N 3.44Å
265	W	95.3	Very high	89.5	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.5	-170.7	-57.6	95.8	0	0	0	111.3	G227 G240 L244 D260 V263 T277 Y285 W287	G227-W265 WeakPolarHBondContact CA-O 3.3Å; G240-W265 VanDerWaalsContact CA-O 3.31Å; G240-W265 WeakPolarHBondContact CA-O 3.34Å; G240-W265 PolarHBondContact O-N 3.37Å; L244-W265 HydrophobicContact CB-CD2 4.05Å; L244-W265 HydrophobicContact CB-CG 4.12Å; L244-W265 HydrophobicContact CB-CZ2 4.1Å; L244-W265 HydrophobicContact CD1-CB 4.4Å; L244-W265 HydrophobicContact CD1-CD2 4.13Å; L244-W265 HydrophobicContact CD1-CG 4.06Å; L244-W265 HydrophobicContact CD2-CD2 4.02Å; L244-W265 HydrophobicContact CD2-CE3 4.1Å; L244-W265 HydrophobicContact CD2-CH2 3.98Å; L244-W265 HydrophobicContact CD2-CZ2 3.89Å; L244-W265 HydrophobicContact CD2-CZ3 4.1Å; L244-W265 HydrophobicContact CG-CD2 4.31Å; D260-W265 HydrophobicContact CB-CH2 4.32Å; D260-W265 HydrophobicContact CB-CZ2 3.83Å; V263-W265 HydrophobicContact CB-CD2 4.38Å; V263-W265 HydrophobicContact CB-CH2 4.19Å; V263-W265 HydrophobicContact CB-CZ2 3.81Å; V263-W265 HydrophobicContact CG1-CD2 3.88Å; V263-W265 HydrophobicContact CG1-CE3 3.88Å; V263-W265 HydrophobicContact CG1-CH2 3.99Å; V263-W265 HydrophobicContact CG1-CZ2 3.98Å; V263-W265 HydrophobicContact CG1-CZ3 3.92Å; V263-W265 HydrophobicContact CG2-CZ2 4.41Å; V263-W265 PolarHBondContact O-NE1 3.2Å; W265-T277 WeakPolarHBondContact CZ3-OG1 3.47Å; W265-Y285 HydrophobicContact CH2-CD1 4.13Å; W265-Y285 AromaticContact CH2-CD2 3.88Å; W265-Y285 HydrophobicContact CH2-CD2 3.88Å; W265-Y285 HydrophobicContact CH2-CE1 4.13Å; W265-Y285 AromaticContact CH2-CE2 3.94Å; W265-Y285 HydrophobicContact CH2-CE2 3.94Å; W265-Y285 HydrophobicContact CH2-CG 4Å; W265-Y285 AromaticContact CZ3-CD2 3.69Å; W265-Y285 HydrophobicContact CZ3-CD2 3.69Å; W265-Y285 AromaticContact CZ3-CE2 4Å; W265-Y285 HydrophobicContact CZ3-CE2 4Å; W265-Y285 HydrophobicContact CZ3-CG 4.07Å; W265-W287 HydrophobicContact CH2-CZ2 4.06Å
266	Y	90.9	Very high	89.3	Confident	54 Å²	54	44.6 Å²	44.6	21%	0.212	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-26.2	-177.6	-59.5	-73.1	0	0	0	112.8	W225 E264 G278 C303 I304 Y305	W225-Y266 AromaticContact CH2-CD1 3.59Å; W225-Y266 HydrophobicContact CH2-CD1 3.59Å; W225-Y266 AromaticContact CH2-CE1 3.24Å; W225-Y266 HydrophobicContact CH2-CE1 3.24Å; W225-Y266 AromaticContact CH2-CZ 3.89Å; W225-Y266 HydrophobicContact CZ2-CE1 4.02Å; W225-Y266 AromaticContact CZ3-CD1 3.92Å; W225-Y266 HydrophobicContact CZ3-CD1 3.92Å; W225-Y266 AromaticContact CZ3-CE1 3.93Å; W225-Y266 HydrophobicContact CZ3-CE1 3.93Å; E264-Y266 HydrophobicContact CB-CE2 3.86Å; E264-Y266 WeakPolarHBondContact O-CD2 3.16Å; E264-Y266 PolarHBondContact OE2-OH 3.31Å; Y266-G278 PolarHBondContact N-O 3.17Å; Y266-G278 VanDerWaalsContact N-O 3.08Å; Y266-C303 WeakPolarHBondContact CD2-SG 3.45Å; Y266-C303 WeakPolarHBondContact CE2-SG 3.33Å; Y266-I304 WeakPolarHBondContact CB-O 2.88Å; Y266-Y305 HydrophobicContact CD1-CD1 4.32Å; Y266-Y305 HydrophobicContact CD1-CE1 4.08Å; Y266-Y305 HydrophobicContact CD2-CE1 4.43Å; Y266-Y305 HydrophobicContact CE1-CE1 4.27Å; Y266-Y305 HydrophobicContact CG-CD1 4.19Å; Y266-Y305 HydrophobicContact CG-CE1 4.17Å
267	A	90.8	Very high	89.1	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.1	-173.2	0	0	0	0	0	112.4	C228 T277 G278 I304 I307	C228-A267 VanDerWaalsContact CB-C 3.48Å; A267-T277 VanDerWaalsContact O-CA 3.28Å; A267-T277 WeakPolarHBondContact O-CA 3.17Å; A267-G278 PolarHBondContact N-O 3.17Å; A267-G278 PolarHBondContact O-N 3.01Å; A267-I304 HydrophobicContact CB-CG2 4.2Å; A267-I307 HydrophobicContact CB-CB 4.33Å; A267-I307 HydrophobicContact CB-CD1 4.03Å; A267-I307 HydrophobicContact CB-CG1 3.76Å
268	A	93.3	Very high	88.8	Confident	19 Å²	19	38.5 Å²	38.5	16%	0.157	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.6	169.8	0	0	0	0	0	110.3	C228 T230 I237 F276 T277	C228-A268 HydrophobicContact CB-CB 3.72Å; T230-A268 HydrophobicContact CG2-CB 3.9Å; I237-A268 HydrophobicContact CG2-CB 4.34Å; A268-F276 CarbonylContact C-O 3.55Å; A268-F276 VanDerWaalsContact CA-O 3.24Å; A268-F276 WeakPolarHBondContact CA-O 3.3Å; A268-T277 HydrophobicContact CB-CG2 4.15Å
269	S	90.6	Very high	88.6	Confident	11 Å²	11	37.8 Å²	37.8	8%	0.077	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	168.8	177.8	85.5	0	0	0	0	110.9	F275 F276 I307	S269-F275 WeakPolarHBondContact O-CA 3.28Å; S269-F276 PolarHBondContact N-O 2.99Å; S269-F276 PolarHBondContact O-N 2.82Å; S269-I307 WeakPolarHBondContact CB-O 3.48Å; S269-I307 VanDerWaalsContact OG-CG2 3.3Å; S269-I307 WeakPolarHBondContact OG-CG2 3.4Å
270	R	89.4	Confident	89.1	Confident	48 Å²	48	31.4 Å²	31.4	18%	0.181	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.9	-175.1	-177.7	-162	66.2	85	-5.4	110.3	T231 Y232 K272 F275 P312 E313	T231-R270 WeakPolarHBondContact O-CD 3.3Å; Y232-R270 VanDerWaalsContact CB-CD 3.45Å; Y232-R270 HydrophobicContact CD2-CG 4.5Å; Y232-R270 HydrophobicContact CG-CG 4.5Å; R270-K272 PolarHBondContact NH1-O 3.19Å; R270-F275 HydrophobicContact CB-CD1 4.46Å; R270-F275 HydrophobicContact CG-CD1 4.49Å; R270-F275 HydrophobicContact CG-CE1 4.44Å; R270-P312 PolarHBondContact NH1-O 3.38Å; R270-P312 VanDerWaalsContact NH2-CB 3.34Å; R270-E313 IonicContact CZ-OE1 3.99Å; R270-E313 VanDerWaalsContact CZ-OE1 3.26Å; R270-E313 IonicContact NH1-OE1 3.35Å; R270-E313 PolarHBondContact NH1-OE1 2.79Å; R270-E313 IonicContact NH2-OE1 2.77Å; R270-E313 PolarHBondContact NH2-OE1 3.11Å
271	Q	85.8	Confident	89.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	113.6	162.8	-172.1	-178	52	0	0	108.4	E273 F274 F276 C309 P312 S316	Q271-E273 PolarHBondContact O-N 3.31Å; Q271-E273 VanDerWaalsContact O-N 3.1Å; Q271-F274 PolarHBondContact N-O 2.84Å; Q271-F274 PolarHBondContact O-N 2.81Å; Q271-F276 HydrophobicContact CB-CD2 4.31Å; Q271-F276 HydrophobicContact CB-CE2 3.78Å; Q271-C309 PolarHBondContact NE2-SG 3.02Å; Q271-P312 CarbonylContact C-O 3.59Å; Q271-P312 WeakPolarHBondContact CA-O 3.45Å; Q271-S316 PolarHBondContact NE2-O 3.05Å
272	K	84	Confident	90.1	Very high	42 Å²	42	28.1 Å²	28.1	18%	0.183	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	-115.8	-174.1	-71.8	-167	153.4	135.1	0	111.8	Y232 R270 F274 P312 E313 A314 D315	Y232-K272 WeakPolarHBondContact CE1-O 3.42Å; Y232-K272 WeakPolarHBondContact CE2-O 3.46Å; R270-K272 PolarHBondContact NH1-O 3.19Å; K272-F274 VanDerWaalsContact C-N 3.33Å; K272-P312 PolarHBondContact N-O 2.89Å; K272-E313 WeakPolarHBondContact CE-O 3.48Å; K272-E313 PolarHBondContact NZ-O 3.22Å; K272-A314 VanDerWaalsContact CD-O 3.25Å; K272-A314 WeakPolarHBondContact CD-O 3.43Å; K272-A314 WeakPolarHBondContact CG-O 3.41Å; K272-D315 VanDerWaalsContact NZ-CA 3.31Å; K272-D315 VanDerWaalsContact NZ-N 3.11Å; K272-D315 IonicContact NZ-OD1 2.65Å; K272-D315 PolarHBondContact NZ-OD1 3.5Å; K272-D315 IonicContact NZ-OD2 3.27Å; K272-D315 PolarHBondContact NZ-OD2 3.46Å
273	E	88.8	Confident	89.9	Confident	100 Å²	100	28 Å²	28	47%	0.467	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	21.6	-176.3	-46.2	-158.3	130.7	0	0	112.1	Y232 K233 Q271 L289	Y232-E273 HydrophobicContact CE1-CB 4.34Å; Y232-E273 HydrophobicContact CE1-CG 3.91Å; K233-E273 IonicContact NZ-OE1 3.46Å; Q271-E273 PolarHBondContact O-N 3.31Å; Q271-E273 VanDerWaalsContact O-N 3.1Å; E273-L289 HydrophobicContact CB-CD1 3.93Å; E273-L289 HydrophobicContact CB-CG 4.17Å; E273-L289 HydrophobicContact CG-CD1 4.48Å; E273-L289 WeakPolarHBondContact O-CG 3.35Å
274	F	90.9	Very high	89.6	Confident	53 Å²	53	27.9 Å²	27.9	23%	0.232	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.6	177.1	-53.8	-67.3	0	0	0	110.9	Q271 K272 F276 R286 W287 L294 T317	Q271-F274 PolarHBondContact N-O 2.84Å; Q271-F274 PolarHBondContact O-N 2.81Å; K272-F274 VanDerWaalsContact C-N 3.33Å; F274-F276 HydrophobicContact CB-CE2 4.37Å; F274-R286 HydrophobicContact CB-CG 4.43Å; F274-W287 WeakPolarHBondContact CA-O 3.16Å; F274-L294 HydrophobicContact CD1-CD1 3.55Å; F274-L294 HydrophobicContact CE1-CD1 3.47Å; F274-L294 VanDerWaalsContact CE1-CD1 3.47Å; F274-T317 HydrophobicContact CD2-CG2 3.83Å; F274-T317 HydrophobicContact CE2-CG2 3.87Å
275	F	92.7	Very high	89.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.8	166.9	-64.4	-55.7	0	0	0	109.5	T230 F235 I237 S269 R270 W287 L289	T230-F275 HydrophobicContact CG2-CD1 3.65Å; T230-F275 HydrophobicContact CG2-CE1 3.96Å; F235-F275 HydrophobicContact CB-CE2 4.21Å; F235-F275 HydrophobicContact CB-CZ 4.04Å; I237-F275 HydrophobicContact CB-CD1 4.4Å; I237-F275 HydrophobicContact CB-CD2 3.92Å; I237-F275 HydrophobicContact CB-CE2 4.16Å; I237-F275 HydrophobicContact CB-CG 4.04Å; I237-F275 HydrophobicContact CD1-CB 3.87Å; I237-F275 HydrophobicContact CD1-CD2 4.17Å; I237-F275 HydrophobicContact CD1-CG 4.21Å; I237-F275 HydrophobicContact CG2-CB 4Å; I237-F275 HydrophobicContact CG2-CD1 3.65Å; I237-F275 HydrophobicContact CG2-CD2 4.04Å; I237-F275 HydrophobicContact CG2-CE1 4.07Å; I237-F275 HydrophobicContact CG2-CE2 4.41Å; I237-F275 HydrophobicContact CG2-CG 3.63Å; I237-F275 HydrophobicContact CG2-CZ 4.43Å; S269-F275 WeakPolarHBondContact O-CA 3.28Å; R270-F275 HydrophobicContact CB-CD1 4.46Å; R270-F275 HydrophobicContact CG-CD1 4.49Å; R270-F275 HydrophobicContact CG-CE1 4.44Å; F275-W287 HydrophobicContact CB-CB 4.33Å; F275-W287 PolarHBondContact N-O 2.95Å; F275-W287 PolarHBondContact O-N 2.91Å; F275-L289 HydrophobicContact CD2-CD2 4.07Å; F275-L289 HydrophobicContact CE1-CD2 4.37Å; F275-L289 HydrophobicContact CE2-CD2 3.53Å; F275-L289 HydrophobicContact CZ-CD2 3.7Å
276	F	91.6	Very high	89.1	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.1	168.9	-69.2	-82.1	0	0	0	109.6	A268 S269 Q271 F274 T284 Y285 R286 I307 V319	A268-F276 CarbonylContact C-O 3.55Å; A268-F276 VanDerWaalsContact CA-O 3.24Å; A268-F276 WeakPolarHBondContact CA-O 3.3Å; S269-F276 PolarHBondContact N-O 2.99Å; S269-F276 PolarHBondContact O-N 2.82Å; Q271-F276 HydrophobicContact CB-CD2 4.31Å; Q271-F276 HydrophobicContact CB-CE2 3.78Å; F274-F276 HydrophobicContact CB-CE2 4.37Å; F276-T284 HydrophobicContact CB-CG2 4.49Å; F276-T284 HydrophobicContact CD1-CG2 4.03Å; F276-Y285 CarbonylContact C-O 3.54Å; F276-Y285 WeakPolarHBondContact CA-O 3.35Å; F276-R286 HydrophobicContact CD1-CB 3.97Å; F276-R286 HydrophobicContact CD1-CG 4.12Å; F276-R286 HydrophobicContact CE1-CB 3.63Å; F276-R286 HydrophobicContact CE1-CG 3.5Å; F276-R286 VanDerWaalsContact CE1-CG 3.5Å; F276-R286 HydrophobicContact CZ-CB 4.47Å; F276-R286 HydrophobicContact CZ-CG 3.85Å; F276-I307 HydrophobicContact CB-CG2 4.17Å; F276-V319 HydrophobicContact CD1-CG2 3.91Å; F276-V319 HydrophobicContact CE1-CG2 3.18Å; F276-V319 HydrophobicContact CZ-CG2 3.58Å
277	T	92.8	Very high	89.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.1	176.4	67.5	0	0	0	0	111.4	I237 L244 W265 A267 A268 T284 Y285 W287	I237-T277 HydrophobicContact CD1-CG2 3.75Å; L244-T277 HydrophobicContact CD1-CG2 4.08Å; L244-T277 HydrophobicContact CD2-CG2 3.91Å; W265-T277 WeakPolarHBondContact CZ3-OG1 3.47Å; A267-T277 VanDerWaalsContact O-CA 3.28Å; A267-T277 WeakPolarHBondContact O-CA 3.17Å; A268-T277 HydrophobicContact CB-CG2 4.15Å; T277-T284 WeakPolarHBondContact O-CA 3.25Å; T277-Y285 PolarHBondContact N-O 3.04Å; T277-Y285 PolarHBondContact O-N 3.4Å; T277-W287 PolarHBondContact OG1-NE1 2.86Å
278	G	89.7	Confident	89.3	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	155.3	179.2	0	0	0	0	0	111	Y266 A267	Y266-G278 PolarHBondContact N-O 3.17Å; Y266-G278 VanDerWaalsContact N-O 3.08Å; A267-G278 PolarHBondContact N-O 3.17Å; A267-G278 PolarHBondContact O-N 3.01Å
279	G	89.8	Confident	89.3	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	-156.7	-168.6	0	0	0	0	0	114.5	E264 D281 G282 C303 I304	E264-G279 CarbonylContact O-C 3.6Å; E264-G279 WeakPolarHBondContact O-CA 3.48Å; G279-D281 PolarHBondContact O-N 2.86Å; G279-G282 PolarHBondContact O-N 3.46Å; G279-C303 CarbonylContact O-C 3.6Å; G279-C303 VanDerWaalsContact O-CA 3.3Å; G279-C303 WeakPolarHBondContact O-CA 3.35Å; G279-I304 PolarHBondContact O-N 3.27Å
280	S	89.5	Confident	89.5	Confident	38 Å²	38	29.3 Å²	29.3	27%	0.266	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.7	-176.8	57.5	0	0	0	0	116	E264 F302	E264-S280 PolarHBondContact N-OG 3.19Å; E264-S280 PolarHBondContact O-N 3.44Å; S280-F302 CarbonylContact C-O 3.54Å
281	D	88.4	Confident	89.7	Confident	44 Å²	44	27.1 Å²	27.1	24%	0.235	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.7	179.4	81.4	-34.7	0	0	0	113.1	V263 G279 R283 Y285 F302	V263-D281 HydrophobicContact CG2-CB 4.18Å; G279-D281 PolarHBondContact O-N 2.86Å; D281-R283 PolarHBondContact O-N 3.4Å; D281-R283 PolarHBondContact OD1-N 3.38Å; D281-R283 WeakPolarHBondContact OD2-CB 3.4Å; D281-R283 VanDerWaalsContact OD2-CD 3.24Å; D281-R283 WeakPolarHBondContact OD2-CD 3.48Å; D281-R283 VanDerWaalsContact OD2-CG 3.27Å; D281-R283 WeakPolarHBondContact OD2-CG 3.48Å; D281-R283 IonicContact OD2-NE 3.77Å; D281-R283 IonicContact OD2-NH1 3.84Å; D281-Y285 PolarHBondContact OD2-OH 2.77Å; D281-F302 CarbonylContact C-O 3.54Å
282	G	82.6	Confident	90.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.			trans	68.7	20.5	178.2	0	0	0	0	0	113.9	G279 T299 C301 F302	G279-G282 PolarHBondContact O-N 3.46Å; G282-T299 VanDerWaalsContact O-CB 3.31Å; G282-T299 WeakPolarHBondContact O-CB 3.27Å; G282-T299 WeakPolarHBondContact O-CG2 3.35Å; G282-T299 PolarHBondContact O-N 2.99Å; G282-T299 PolarHBondContact O-OG1 3.18Å; G282-C301 WeakPolarHBondContact CA-O 3.45Å; G282-F302 PolarHBondContact N-O 2.87Å; G282-F302 VanDerWaalsContact N-O 3.12Å
283	R	84.3	Confident	90.6	Very high	119 Å²	119	32.1 Å²	32.1	45%	0.449	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.1	175.7	-59.2	-175.6	-178.3	140.2	-4.2	111.6	D281 Y285 I297 I304	D281-R283 PolarHBondContact O-N 3.4Å; D281-R283 PolarHBondContact OD1-N 3.38Å; D281-R283 WeakPolarHBondContact OD2-CB 3.4Å; D281-R283 VanDerWaalsContact OD2-CD 3.24Å; D281-R283 WeakPolarHBondContact OD2-CD 3.48Å; D281-R283 VanDerWaalsContact OD2-CG 3.27Å; D281-R283 WeakPolarHBondContact OD2-CG 3.48Å; D281-R283 IonicContact OD2-NE 3.77Å; D281-R283 IonicContact OD2-NH1 3.84Å; R283-Y285 HydrophobicContact CB-CD2 4.31Å; R283-Y285 HydrophobicContact CB-CE2 3.71Å; R283-Y285 WeakPolarHBondContact O-CD2 3.45Å; R283-I297 WeakPolarHBondContact CA-O 3.35Å; R283-I304 VanDerWaalsContact C-CD1 3.4Å; R283-I304 WeakPolarHBondContact O-CD1 3.22Å
284	T	86.4	Confident	90.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.9	172.4	-57.4	0	0	0	0	109.1	F276 T277 I297 I304 I307 V319 C348	F276-T284 HydrophobicContact CB-CG2 4.49Å; F276-T284 HydrophobicContact CD1-CG2 4.03Å; T277-T284 WeakPolarHBondContact O-CA 3.25Å; T284-I297 PolarHBondContact N-O 3.06Å; T284-I297 PolarHBondContact O-N 3.23Å; T284-I304 WeakPolarHBondContact OG1-CD1 3.04Å; T284-I307 HydrophobicContact CG2-CD1 4.11Å; T284-V319 HydrophobicContact CG2-CG1 4.09Å; T284-C348 PolarHBondContact OG1-SG 2.72Å
285	Y	88.9	Confident	90.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.5	-177.9	-68.6	-108.9	0	0	0	109.4	D260 W265 F276 T277 D281 R283 W287 L293 K296	D260-Y285 WeakPolarHBondContact OD2-CE1 3.49Å; D260-Y285 VanDerWaalsContact OD2-CZ 3.27Å; D260-Y285 PolarHBondContact OD2-OH 3.37Å; W265-Y285 HydrophobicContact CH2-CD1 4.13Å; W265-Y285 AromaticContact CH2-CD2 3.88Å; W265-Y285 HydrophobicContact CH2-CD2 3.88Å; W265-Y285 HydrophobicContact CH2-CE1 4.13Å; W265-Y285 AromaticContact CH2-CE2 3.94Å; W265-Y285 HydrophobicContact CH2-CE2 3.94Å; W265-Y285 HydrophobicContact CH2-CG 4Å; W265-Y285 AromaticContact CZ3-CD2 3.69Å; W265-Y285 HydrophobicContact CZ3-CD2 3.69Å; W265-Y285 AromaticContact CZ3-CE2 4Å; W265-Y285 HydrophobicContact CZ3-CE2 4Å; W265-Y285 HydrophobicContact CZ3-CG 4.07Å; F276-Y285 CarbonylContact C-O 3.54Å; F276-Y285 WeakPolarHBondContact CA-O 3.35Å; T277-Y285 PolarHBondContact N-O 3.04Å; T277-Y285 PolarHBondContact O-N 3.4Å; D281-Y285 PolarHBondContact OD2-OH 2.77Å; R283-Y285 HydrophobicContact CB-CD2 4.31Å; R283-Y285 HydrophobicContact CB-CE2 3.71Å; R283-Y285 WeakPolarHBondContact O-CD2 3.45Å; Y285-W287 VanDerWaalsContact CB-NE1 3.29Å; Y285-W287 HydrophobicContact CD1-CH2 4.11Å; Y285-W287 AromaticContact CD1-CZ2 3.54Å; Y285-W287 HydrophobicContact CD1-CZ2 3.54Å; Y285-W287 HydrophobicContact CE1-CZ2 4.41Å; Y285-W287 AromaticContact CG-CZ2 3.92Å; Y285-W287 HydrophobicContact CG-CZ2 3.92Å; Y285-L293 HydrophobicContact CD1-CD1 3.88Å; Y285-K296 HydrophobicContact CD1-CD 4.12Å; Y285-K296 HydrophobicContact CD1-CG 3.85Å; Y285-K296 HydrophobicContact CE1-CD 3.49Å; Y285-K296 VanDerWaalsContact CE1-CD 3.49Å; Y285-K296 VanDerWaalsContact CE1-CE 3.46Å; Y285-K296 HydrophobicContact CE1-CG 3.75Å
286	R	90.3	Very high	90.2	Very high	31 Å²	31	37.5 Å²	37.5	12%	0.117	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.4	175.1	-174.2	-178.1	168.3	-169.6	-2.7	110.4	F274 F276 L294 E295 T317	F274-R286 HydrophobicContact CB-CG 4.43Å; F276-R286 HydrophobicContact CD1-CB 3.97Å; F276-R286 HydrophobicContact CD1-CG 4.12Å; F276-R286 HydrophobicContact CE1-CB 3.63Å; F276-R286 HydrophobicContact CE1-CG 3.5Å; F276-R286 VanDerWaalsContact CE1-CG 3.5Å; F276-R286 HydrophobicContact CZ-CB 4.47Å; F276-R286 HydrophobicContact CZ-CG 3.85Å; R286-L294 HydrophobicContact CB-CB 4.46Å; R286-L294 HydrophobicContact CG-CB 4.31Å; R286-L294 HydrophobicContact CG-CD1 4.21Å; R286-L294 PolarHBondContact O-N 3.41Å; R286-E295 HydrophobicContact CB-CB 4.25Å; R286-E295 PolarHBondContact N-O 3.19Å; R286-E295 PolarHBondContact O-N 3.45Å; R286-T317 PolarHBondContact NH1-OG1 2.77Å; R286-T317 PolarHBondContact NH2-OG1 3.24Å
287	W	92.5	Very high	89.8	Confident	4 Å²	4	39 Å²	39	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.1	-176.1	-47.1	92.1	0	0	0	111.1	I237 L244 L258 W265 F274 F275 T277 Y285 D292 L293	I237-W287 HydrophobicContact CD1-CG 4.42Å; L244-W287 HydrophobicContact CD2-CZ2 3.85Å; L258-W287 HydrophobicContact CB-CH2 4.03Å; L258-W287 HydrophobicContact CB-CZ3 3.99Å; L258-W287 HydrophobicContact CD1-CD2 3.73Å; L258-W287 HydrophobicContact CD1-CE3 3.74Å; L258-W287 HydrophobicContact CD1-CG 4.19Å; L258-W287 HydrophobicContact CD1-CH2 4.35Å; L258-W287 HydrophobicContact CD1-CZ2 4.35Å; L258-W287 HydrophobicContact CD1-CZ3 4.04Å; L258-W287 HydrophobicContact CD2-CE3 4.47Å; L258-W287 HydrophobicContact CG-CE3 4.48Å; L258-W287 HydrophobicContact CG-CZ3 4.41Å; W265-W287 HydrophobicContact CH2-CZ2 4.06Å; F274-W287 WeakPolarHBondContact CA-O 3.16Å; F275-W287 HydrophobicContact CB-CB 4.33Å; F275-W287 PolarHBondContact N-O 2.95Å; F275-W287 PolarHBondContact O-N 2.91Å; T277-W287 PolarHBondContact OG1-NE1 2.86Å; Y285-W287 VanDerWaalsContact CB-NE1 3.29Å; Y285-W287 HydrophobicContact CD1-CH2 4.11Å; Y285-W287 AromaticContact CD1-CZ2 3.54Å; Y285-W287 HydrophobicContact CD1-CZ2 3.54Å; Y285-W287 HydrophobicContact CE1-CZ2 4.41Å; Y285-W287 AromaticContact CG-CZ2 3.92Å; Y285-W287 HydrophobicContact CG-CZ2 3.92Å; W287-D292 WeakPolarHBondContact CA-O 3.48Å; W287-L293 HydrophobicContact CD2-CD1 4.16Å; W287-L293 HydrophobicContact CE3-CB 3.83Å; W287-L293 HydrophobicContact CE3-CD1 3.92Å; W287-L293 HydrophobicContact CE3-CG 4.48Å; W287-L293 HydrophobicContact CH2-CB 4.36Å; W287-L293 HydrophobicContact CH2-CD1 3.87Å; W287-L293 HydrophobicContact CZ2-CD1 4.09Å; W287-L293 HydrophobicContact CZ3-CB 3.59Å; W287-L293 HydrophobicContact CZ3-CD1 3.79Å; W287-L293 HydrophobicContact CZ3-CG 4.18Å
288	T	93.7	Very high	89	Confident	26 Å²	26	41.9 Å²	41.9	16%	0.16	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	164.3	161.4	68.8	0	0	0	0	110.5	N290 G291 D292 L294	T288-N290 PolarHBondContact O-N 3.27Å; T288-N290 VanDerWaalsContact O-N 3.12Å; T288-N290 PolarHBondContact OG1-N 3.06Å; T288-G291 PolarHBondContact O-N 2.65Å; T288-G291 PolarHBondContact OG1-N 3.05Å; T288-D292 HydrophobicContact CG2-CB 4.11Å; T288-D292 PolarHBondContact N-O 3.01Å; T288-D292 WeakPolarHBondContact OG1-CB 3.47Å; T288-D292 PolarHBondContact OG1-N 3.12Å; T288-L294 HydrophobicContact CG2-CD1 3.87Å; T288-L294 HydrophobicContact CG2-CD2 3.65Å; T288-L294 HydrophobicContact CG2-CG 3.76Å
289	L	93.6	Very high	88.1	Confident	20 Å²	20	42.9 Å²	42.9	11%	0.105	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.1	170.8	-57.5	179.6	0	0	0	113.9	Y232 F235 V246 E273 F275	Y232-L289 HydrophobicContact CD1-CD1 3.58Å; Y232-L289 HydrophobicContact CD1-CD2 3.71Å; Y232-L289 HydrophobicContact CD1-CG 4.29Å; Y232-L289 HydrophobicContact CE1-CD1 3.73Å; Y232-L289 HydrophobicContact CE1-CD2 4.5Å; Y232-L289 HydrophobicContact CG-CD2 4.47Å; F235-L289 HydrophobicContact CD1-CB 4.44Å; F235-L289 WeakPolarHBondContact CD1-O 3.47Å; F235-L289 HydrophobicContact CD2-CB 4.09Å; F235-L289 HydrophobicContact CD2-CD1 3.91Å; F235-L289 HydrophobicContact CD2-CG 4.41Å; F235-L289 HydrophobicContact CE2-CB 4.26Å; F235-L289 HydrophobicContact CE2-CD1 4.08Å; F235-L289 HydrophobicContact CG-CB 4.18Å; V246-L289 WeakPolarHBondContact CG1-O 3.43Å; E273-L289 HydrophobicContact CB-CD1 3.93Å; E273-L289 HydrophobicContact CB-CG 4.17Å; E273-L289 HydrophobicContact CG-CD1 4.48Å; E273-L289 WeakPolarHBondContact O-CG 3.35Å; F275-L289 HydrophobicContact CD2-CD2 4.07Å; F275-L289 HydrophobicContact CE1-CD2 4.37Å; F275-L289 HydrophobicContact CE2-CD2 3.53Å; F275-L289 HydrophobicContact CZ-CD2 3.7Å
290	N	93.5	Very high	86.8	Confident	90 Å²	90	46.3 Å²	46.3	48%	0.481	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.3	176	-64	-28.1	0	0	0	112.7	K256 T288	K256-N290 VanDerWaalsContact CD-O 3.27Å; K256-N290 WeakPolarHBondContact CD-O 3.4Å; T288-N290 PolarHBondContact O-N 3.27Å; T288-N290 VanDerWaalsContact O-N 3.12Å; T288-N290 PolarHBondContact OG1-N 3.06Å
291	G	93.9	Very high	85.7	Confident	2 Å²	2	45 Å²	45	2%	0.021	24%	0.242	C	C	.	.			trans	80.3	23.7	-178.4	0	0	0	0	0	114.2	K256 L258 T288	K256-G291 WeakPolarHBondContact CE-O 3.39Å; K256-G291 PolarHBondContact NZ-O 2.94Å; L258-G291 VanDerWaalsContact CD2-CA 3.42Å; L258-G291 WeakPolarHBondContact CD2-O 3.34Å; T288-G291 PolarHBondContact O-N 2.65Å; T288-G291 PolarHBondContact OG1-N 3.05Å
292	D	94.7	Very high	85	Confident	78 Å²	78	49.6 Å²	49.6	42%	0.417	26%	0.26	S	S	.	.			trans	-85.3	127.7	169.5	-57.8	-43.7	0	0	0	109.1	K256 W287 T288 L294	K256-D292 IonicContact NZ-OD1 2.95Å; K256-D292 PolarHBondContact NZ-OD1 3.29Å; W287-D292 WeakPolarHBondContact CA-O 3.48Å; T288-D292 HydrophobicContact CG2-CB 4.11Å; T288-D292 PolarHBondContact N-O 3.01Å; T288-D292 WeakPolarHBondContact OG1-CB 3.47Å; T288-D292 PolarHBondContact OG1-N 3.12Å; D292-L294 PolarHBondContact O-N 2.91Å
293	L	94.1	Very high	84.9	Confident	69 Å²	69	50.2 Å²	50.2	36%	0.361	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	120.2	176.2	179.9	63.5	0	0	0	109.5	Y285 W287 E295 K296	Y285-L293 HydrophobicContact CD1-CD1 3.88Å; W287-L293 HydrophobicContact CD2-CD1 4.16Å; W287-L293 HydrophobicContact CE3-CB 3.83Å; W287-L293 HydrophobicContact CE3-CD1 3.92Å; W287-L293 HydrophobicContact CE3-CG 4.48Å; W287-L293 HydrophobicContact CH2-CB 4.36Å; W287-L293 HydrophobicContact CH2-CD1 3.87Å; W287-L293 HydrophobicContact CZ2-CD1 4.09Å; W287-L293 HydrophobicContact CZ3-CB 3.59Å; W287-L293 HydrophobicContact CZ3-CD1 3.79Å; W287-L293 HydrophobicContact CZ3-CG 4.18Å; L293-E295 WeakPolarHBondContact CD1-O 3.42Å; L293-K296 HydrophobicContact CD1-CG 4.17Å; L293-K296 HydrophobicContact CD2-CD 4.18Å; L293-K296 HydrophobicContact CD2-CG 3.85Å; L293-K296 HydrophobicContact CG-CG 4.46Å
294	L	89.7	Confident	84.9	Confident	86 Å²	86	44.5 Å²	44.5	45%	0.45	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-43.9	175.7	-63.7	178.7	0	0	0	111.4	F274 R286 T288 D292	F274-L294 HydrophobicContact CD1-CD1 3.55Å; F274-L294 HydrophobicContact CE1-CD1 3.47Å; F274-L294 VanDerWaalsContact CE1-CD1 3.47Å; R286-L294 HydrophobicContact CB-CB 4.46Å; R286-L294 HydrophobicContact CG-CB 4.31Å; R286-L294 HydrophobicContact CG-CD1 4.21Å; R286-L294 PolarHBondContact O-N 3.41Å; T288-L294 HydrophobicContact CG2-CD1 3.87Å; T288-L294 HydrophobicContact CG2-CD2 3.65Å; T288-L294 HydrophobicContact CG2-CG 3.76Å; D292-L294 PolarHBondContact O-N 2.91Å
295	E	86.6	Confident	84.7	Confident	91 Å²	91	48.1 Å²	48.1	43%	0.425	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	144	-172.1	-163.9	173.2	-175.2	0	0	111.8	R286 L293 I297	R286-E295 HydrophobicContact CB-CB 4.25Å; R286-E295 PolarHBondContact N-O 3.19Å; R286-E295 PolarHBondContact O-N 3.45Å; L293-E295 WeakPolarHBondContact CD1-O 3.42Å; E295-I297 HydrophobicContact CB-CG1 4.42Å; E295-I297 HydrophobicContact CG-CD1 4.45Å; E295-I297 HydrophobicContact CG-CG1 3.74Å
296	K	87.3	Confident	84.3	Confident	89 Å²	89	49 Å²	49	39%	0.387	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112	164.4	-58.1	-167	-175.9	-163.6	0	108.1	D260 Y285 L293	D260-K296 IonicContact OD2-NZ 2.76Å; D260-K296 PolarHBondContact OD2-NZ 3.24Å; Y285-K296 HydrophobicContact CD1-CD 4.12Å; Y285-K296 HydrophobicContact CD1-CG 3.85Å; Y285-K296 HydrophobicContact CE1-CD 3.49Å; Y285-K296 VanDerWaalsContact CE1-CD 3.49Å; Y285-K296 VanDerWaalsContact CE1-CE 3.46Å; Y285-K296 HydrophobicContact CE1-CG 3.75Å; L293-K296 HydrophobicContact CD1-CG 4.17Å; L293-K296 HydrophobicContact CD2-CD 4.18Å; L293-K296 HydrophobicContact CD2-CG 3.85Å; L293-K296 HydrophobicContact CG-CG 4.46Å
297	I	83.9	Confident	84	Confident	31 Å²	31	47.6 Å²	47.6	16%	0.159	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112	-176.2	-54.7	174.5	0	0	0	107.5	R283 T284 E295 T299 V319	R283-I297 WeakPolarHBondContact CA-O 3.35Å; T284-I297 PolarHBondContact N-O 3.06Å; T284-I297 PolarHBondContact O-N 3.23Å; E295-I297 HydrophobicContact CB-CG1 4.42Å; E295-I297 HydrophobicContact CG-CD1 4.45Å; E295-I297 HydrophobicContact CG-CG1 3.74Å; I297-T299 PolarHBondContact O-N 3.18Å; I297-V319 HydrophobicContact CD1-CB 3.67Å; I297-V319 HydrophobicContact CD1-CG1 4.03Å; I297-V319 HydrophobicContact CD1-CG2 3.71Å
298	G	76.2	Confident	83.3	Confident	61 Å²	61	50.3 Å²	50.3	63%	0.629	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	127.9	174.3	0	0	0	0	0	110.5
299	T	70.8	Confident	82.5	Confident	21 Å²	21	50 Å²	50	13%	0.129	27%	0.265	C	S	.	.			trans	-110.8	159.7	172.6	92.6	0	0	0	0	109.3	G282 I297 C301 I304 C321	G282-T299 VanDerWaalsContact O-CB 3.31Å; G282-T299 WeakPolarHBondContact O-CB 3.27Å; G282-T299 WeakPolarHBondContact O-CG2 3.35Å; G282-T299 PolarHBondContact O-N 2.99Å; G282-T299 PolarHBondContact O-OG1 3.18Å; I297-T299 PolarHBondContact O-N 3.18Å; T299-C301 PolarHBondContact O-N 2.81Å; T299-C301 VanDerWaalsContact OG1-CB 3.22Å; T299-C301 WeakPolarHBondContact OG1-CB 3.33Å; T299-C301 PolarHBondContact OG1-N 3.38Å; T299-C301 PolarHBondContact OG1-SG 3.26Å; T299-I304 HydrophobicContact CG2-CD1 3.97Å; T299-C321 HydrophobicContact CG2-CB 3.89Å; T299-C321 WeakPolarHBondContact CG2-SG 3.38Å
300	P	62.7	Low	81.3	Confident	73 Å²	73	50 Å²	50	47%	0.474	27%	0.269	S	S	.	.	S	Bend	trans	-71.3	0.2	172.6	30.5	-35.3	0	0	0	113.2	Q323	P300-Q323 HydrophobicContact CG-CB 4.24Å
301	C	66.7	Low	80.3	Confident	11 Å²	11	48.5 Å²	48.5	7%	0.074	26%	0.261	C	S	.	.			trans	-83.2	155.2	-177.4	-47.5	0	0	0	0	111	G282 T299 I350	G282-C301 WeakPolarHBondContact CA-O 3.45Å; T299-C301 PolarHBondContact O-N 2.81Å; T299-C301 VanDerWaalsContact OG1-CB 3.22Å; T299-C301 WeakPolarHBondContact OG1-CB 3.33Å; T299-C301 PolarHBondContact OG1-N 3.38Å; T299-C301 PolarHBondContact OG1-SG 3.26Å; C301-I350 HydrophobicContact CB-CG2 4.45Å
302	F	73.9	Confident	79.5	Confident	140 Å²	140	50.9 Å²	50.9	61%	0.614	28%	0.276	S	S	*	.	S	Bend	trans	-88	-27.5	167.7	-63.9	-76.4	0	0	0	112.1	S280 D281 G282	S280-F302 CarbonylContact C-O 3.54Å; D281-F302 CarbonylContact C-O 3.54Å; G282-F302 PolarHBondContact N-O 2.87Å; G282-F302 VanDerWaalsContact N-O 3.12Å
303	C	79.9	Confident	78.8	Confident	12 Å²	12	51.7 Å²	51.7	8%	0.081	28%	0.277	C	S	.	.			trans	-151.7	145.3	-179.1	-173.9	0	0	0	0	109.9	Y266 G279 Y305	Y266-C303 WeakPolarHBondContact CD2-SG 3.45Å; Y266-C303 WeakPolarHBondContact CE2-SG 3.33Å; G279-C303 CarbonylContact O-C 3.6Å; G279-C303 VanDerWaalsContact O-CA 3.3Å; G279-C303 WeakPolarHBondContact O-CA 3.35Å; C303-Y305 HydrophobicContact CB-CE2 3.78Å; C303-Y305 WeakPolarHBondContact SG-CE2 3.48Å; C303-Y305 VanDerWaalsContact SG-CZ 3.54Å
304	I	83.4	Confident	77.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119	-180	-64.4	164.5	0	0	0	109.3	Y266 A267 G279 R283 T284 T299 I307 C348 T349	Y266-I304 WeakPolarHBondContact CB-O 2.88Å; A267-I304 HydrophobicContact CB-CG2 4.2Å; G279-I304 PolarHBondContact O-N 3.27Å; R283-I304 VanDerWaalsContact C-CD1 3.4Å; R283-I304 WeakPolarHBondContact O-CD1 3.22Å; T284-I304 WeakPolarHBondContact OG1-CD1 3.04Å; T299-I304 HydrophobicContact CG2-CD1 3.97Å; I304-I307 HydrophobicContact CG2-CD1 4.01Å; I304-I307 HydrophobicContact CG2-CG1 3.55Å; I304-C348 HydrophobicContact CG1-CB 4.4Å; I304-C348 HydrophobicContact CG2-CB 4.13Å; I304-T349 WeakPolarHBondContact CA-O 3.3Å
305	Y	82.6	Confident	76.2	Confident	75 Å²	75	51.1 Å²	51.1	29%	0.294	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-22.6	-178.1	-73.4	-89.2	0	0	0	114.6	Y266 C303 T349 I351	Y266-Y305 HydrophobicContact CD1-CD1 4.32Å; Y266-Y305 HydrophobicContact CD1-CE1 4.08Å; Y266-Y305 HydrophobicContact CD2-CE1 4.43Å; Y266-Y305 HydrophobicContact CE1-CE1 4.27Å; Y266-Y305 HydrophobicContact CG-CD1 4.19Å; Y266-Y305 HydrophobicContact CG-CE1 4.17Å; C303-Y305 HydrophobicContact CB-CE2 3.78Å; C303-Y305 WeakPolarHBondContact SG-CE2 3.48Å; C303-Y305 VanDerWaalsContact SG-CZ 3.54Å; Y305-T349 PolarHBondContact N-O 3.14Å; Y305-I351 HydrophobicContact CD2-CD1 3.67Å; Y305-I351 HydrophobicContact CD2-CG1 3.54Å; Y305-I351 HydrophobicContact CE1-CD1 4.32Å; Y305-I351 HydrophobicContact CE2-CB 4.15Å; Y305-I351 HydrophobicContact CE2-CD1 2.92Å; Y305-I351 HydrophobicContact CE2-CG1 3.18Å; Y305-I351 VanDerWaalsContact OH-CD1 3.31Å; Y305-I351 WeakPolarHBondContact OH-CD1 3.31Å
306	D	81.5	Confident	74.5	Confident	20 Å²	20	47.9 Å²	47.9	11%	0.107	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.7	177.1	-170.5	14.4	0	0	0	109	G16 A17 R308 C348 T349	G16-D306 WeakPolarHBondContact CA-OD2 3.2Å; A17-D306 PolarHBondContact N-OD2 3.48Å; D306-R308 IonicContact OD1-CZ 3.94Å; D306-R308 IonicContact OD1-NE 3.24Å; D306-R308 PolarHBondContact OD1-NE 3.31Å; D306-R308 IonicContact OD2-CZ 2.84Å; D306-R308 IonicContact OD2-NE 2.84Å; D306-R308 PolarHBondContact OD2-NE 3.12Å; D306-R308 VanDerWaalsContact OD2-NE 3.08Å; D306-R308 IonicContact OD2-NH2 3.25Å; D306-C348 WeakPolarHBondContact O-CA 3.32Å; D306-T349 PolarHBondContact O-N 3.18Å
307	I	83.8	Confident	72.7	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	125.4	173.4	-60.5	172.4	0	0	0	106.6	A267 S269 F276 T284 I304 V347	A267-I307 HydrophobicContact CB-CB 4.33Å; A267-I307 HydrophobicContact CB-CD1 4.03Å; A267-I307 HydrophobicContact CB-CG1 3.76Å; S269-I307 WeakPolarHBondContact CB-O 3.48Å; S269-I307 VanDerWaalsContact OG-CG2 3.3Å; S269-I307 WeakPolarHBondContact OG-CG2 3.4Å; F276-I307 HydrophobicContact CB-CG2 4.17Å; T284-I307 HydrophobicContact CG2-CD1 4.11Å; I304-I307 HydrophobicContact CG2-CD1 4.01Å; I304-I307 HydrophobicContact CG2-CG1 3.55Å; I307-V347 CarbonylContact C-O 3.59Å; I307-V347 VanDerWaalsContact CA-O 3.28Å; I307-V347 WeakPolarHBondContact CA-O 3.44Å
308	R	77.6	Confident	70.9	Confident	61 Å²	61	46.7 Å²	46.7	23%	0.23	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.2	178.7	-63.7	-62.6	-177.4	138.1	8.1	111.1	A17 L70 D306 C346 V347	A17-R308 WeakPolarHBondContact O-CG 2.97Å; L70-R308 PolarHBondContact O-NH2 2.88Å; D306-R308 IonicContact OD1-CZ 3.94Å; D306-R308 IonicContact OD1-NE 3.24Å; D306-R308 PolarHBondContact OD1-NE 3.31Å; D306-R308 IonicContact OD2-CZ 2.84Å; D306-R308 IonicContact OD2-NE 2.84Å; D306-R308 PolarHBondContact OD2-NE 3.12Å; D306-R308 VanDerWaalsContact OD2-NE 3.08Å; D306-R308 IonicContact OD2-NH2 3.25Å; R308-C346 CarbonylContact O-C 3.07Å; R308-C346 WeakPolarHBondContact O-CA 3.11Å; R308-V347 PolarHBondContact N-O 2.73Å; R308-V347 PolarHBondContact O-N 2.84Å
309	C	76.1	Confident	69.4	Low	18 Å²	18	45 Å²	45	12%	0.122	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.4	169.2	-166.2	0	0	0	0	109.1	Q271 D311	Q271-C309 PolarHBondContact NE2-SG 3.02Å; C309-D311 VanDerWaalsContact SG-C 3.56Å; C309-D311 PolarHBondContact SG-O 3.23Å
310	A	69.5	Low	68.1	Low	22 Å²	22	44.4 Å²	44.4	18%	0.182	24%	0.235	C	C	.	.	S	Bend	trans	-62.2	-48.3	176.4	0	0	0	0	0	111.5	F19 A23 L345	F19-A310 HydrophobicContact CD1-CB 4.4Å; F19-A310 HydrophobicContact CD2-CB 3.91Å; F19-A310 HydrophobicContact CE1-CB 4.18Å; F19-A310 HydrophobicContact CE2-CB 3.67Å; F19-A310 HydrophobicContact CG-CB 4.24Å; F19-A310 HydrophobicContact CZ-CB 3.78Å; A23-A310 HydrophobicContact CB-CB 4.31Å; A310-L345 WeakPolarHBondContact CB-O 3.4Å; A310-L345 PolarHBondContact N-O 2.69Å
311	D	72.6	Confident	67.1	Low	58 Å²	58	41.4 Å²	41.4	31%	0.31	22%	0.215	S	C	.	.			trans	-118.2	101.7	173.1	178.6	10.2	0	0	0	110.2	C309 E313 A314 E343	C309-D311 VanDerWaalsContact SG-C 3.56Å; C309-D311 PolarHBondContact SG-O 3.23Å; D311-E313 PolarHBondContact O-N 2.92Å; D311-E313 VanDerWaalsContact O-N 3.14Å; D311-E313 WeakPolarHBondContact OD1-CA 3.45Å; D311-E313 PolarHBondContact OD1-N 2.58Å; D311-A314 HydrophobicContact CB-CB 3.89Å; D311-A314 VanDerWaalsContact CG-N 3.31Å; D311-A314 WeakPolarHBondContact O-CB 3.42Å; D311-A314 PolarHBondContact O-N 2.67Å; D311-A314 PolarHBondContact OD1-N 3.18Å; D311-A314 WeakPolarHBondContact OD2-CA 3.37Å; D311-A314 WeakPolarHBondContact OD2-CB 3.4Å; D311-A314 PolarHBondContact OD2-N 3.43Å; D311-E343 WeakPolarHBondContact CB-O 3.18Å
312	P	76.3	Confident	65.8	Low	52 Å²	52	41.5 Å²	41.5	34%	0.338	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.8	175.2	-23.3	34.4	0	0	0	114.1	R270 Q271 K272	R270-P312 PolarHBondContact NH1-O 3.38Å; R270-P312 VanDerWaalsContact NH2-CB 3.34Å; Q271-P312 CarbonylContact C-O 3.59Å; Q271-P312 WeakPolarHBondContact CA-O 3.45Å; K272-P312 PolarHBondContact N-O 2.89Å
313	E	80.2	Confident	64	Low	94 Å²	94	37.3 Å²	37.3	44%	0.439	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	15	179.9	-60.3	-54	131	0	0	113.1	R270 K272 D311	R270-E313 IonicContact CZ-OE1 3.99Å; R270-E313 VanDerWaalsContact CZ-OE1 3.26Å; R270-E313 IonicContact NH1-OE1 3.35Å; R270-E313 PolarHBondContact NH1-OE1 2.79Å; R270-E313 IonicContact NH2-OE1 2.77Å; R270-E313 PolarHBondContact NH2-OE1 3.11Å; K272-E313 WeakPolarHBondContact CE-O 3.48Å; K272-E313 PolarHBondContact NZ-O 3.22Å; D311-E313 PolarHBondContact O-N 2.92Å; D311-E313 VanDerWaalsContact O-N 3.14Å; D311-E313 WeakPolarHBondContact OD1-CA 3.45Å; D311-E313 PolarHBondContact OD1-N 2.58Å
314	A	68.1	Low	62	Low	5 Å²	5	38.5 Å²	38.5	4%	0.041	20%	0.201	C	C	.	.			trans	-67.8	137.5	176.3	0	0	0	0	0	112.7	K272 D311 R344	K272-A314 VanDerWaalsContact CD-O 3.25Å; K272-A314 WeakPolarHBondContact CD-O 3.43Å; K272-A314 WeakPolarHBondContact CG-O 3.41Å; D311-A314 HydrophobicContact CB-CB 3.89Å; D311-A314 VanDerWaalsContact CG-N 3.31Å; D311-A314 WeakPolarHBondContact O-CB 3.42Å; D311-A314 PolarHBondContact O-N 2.67Å; D311-A314 PolarHBondContact OD1-N 3.18Å; D311-A314 WeakPolarHBondContact OD2-CA 3.37Å; D311-A314 WeakPolarHBondContact OD2-CB 3.4Å; D311-A314 PolarHBondContact OD2-N 3.43Å; A314-R344 HydrophobicContact CB-CB 4.12Å; A314-R344 HydrophobicContact CB-CG 3.66Å
315	D	60.9	Low	59.5	Low	138 Å²	138	40.2 Å²	40.2	74%	0.738	21%	0.21	S	C	*	.	S	Bend	trans	-72.6	-27.9	175.5	-84.6	-49.1	0	0	0	114	K272	K272-D315 VanDerWaalsContact NZ-CA 3.31Å; K272-D315 VanDerWaalsContact NZ-N 3.11Å; K272-D315 IonicContact NZ-OD1 2.65Å; K272-D315 PolarHBondContact NZ-OD1 3.5Å; K272-D315 IonicContact NZ-OD2 3.27Å; K272-D315 PolarHBondContact NZ-OD2 3.46Å
316	S	51.5	Low	57	Low	23 Å²	23	39.6 Å²	39.6	16%	0.161	21%	0.211	C	C	.	.	S	Bend	trans	-102.7	149.6	-177.5	65.4	0	0	0	0	111.8	Q271 R344	Q271-S316 PolarHBondContact NE2-O 3.05Å; S316-R344 WeakPolarHBondContact OG-CB 2.97Å; S316-R344 WeakPolarHBondContact OG-CD 3.46Å; S316-R344 WeakPolarHBondContact OG-CG 3.19Å; S316-R344 PolarHBondContact OG-NE 3.34Å; S316-R344 PolarHBondContact OG-NH1 3.18Å
317	T	48.2	Very low	54.7	Low	41 Å²	41	39.3 Å²	39.3	25%	0.252	21%	0.21	S	C	.	.			trans	-113.4	41.1	-161.4	46.6	0	0	0	0	112.6	F274 R286 V319	F274-T317 HydrophobicContact CD2-CG2 3.83Å; F274-T317 HydrophobicContact CE2-CG2 3.87Å; R286-T317 PolarHBondContact NH1-OG1 2.77Å; R286-T317 PolarHBondContact NH2-OG1 3.24Å; T317-V319 PolarHBondContact O-N 3.36Å
318	E	45.6	Very low	52.3	Low	55 Å²	55	42 Å²	42	26%	0.257	22%	0.222	S	C	.	.			trans	-79.3	103.8	-179.9	-65.5	-165.1	-159.7	0	0	110.2	L337 V341 L345 C346	E318-L337 VanDerWaalsContact OE2-CD1 3.27Å; E318-L337 WeakPolarHBondContact OE2-CD1 3.38Å; E318-V341 HydrophobicContact CG-CG1 4.29Å; E318-V341 WeakPolarHBondContact OE1-CG1 2.83Å; E318-V341 WeakPolarHBondContact OE2-CG1 3.28Å; E318-L345 WeakPolarHBondContact O-CA 3.12Å; E318-C346 PolarHBondContact O-N 3.12Å
319	V	45.8	Very low	50	Low	25 Å²	25	41.4 Å²	41.4	15%	0.152	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-87.6	121.6	175.5	179.7	0	0	0	0	108.6	F276 T284 I297 T317 C346	F276-V319 HydrophobicContact CD1-CG2 3.91Å; F276-V319 HydrophobicContact CE1-CG2 3.18Å; F276-V319 HydrophobicContact CZ-CG2 3.58Å; T284-V319 HydrophobicContact CG2-CG1 4.09Å; I297-V319 HydrophobicContact CD1-CB 3.67Å; I297-V319 HydrophobicContact CD1-CG1 4.03Å; I297-V319 HydrophobicContact CD1-CG2 3.71Å; T317-V319 PolarHBondContact O-N 3.36Å; V319-C346 HydrophobicContact CB-CB 4.29Å; V319-C346 HydrophobicContact CG1-CB 3.95Å; V319-C346 HydrophobicContact CG2-CB 4.28Å
320	S	42.9	Very low	48	Very low	8 Å²	8	42.7 Å²	42.7	6%	0.056	23%	0.232	C	C	.	.			trans	-118.7	92.6	-179.6	-67.8	0	0	0	0	110.2	F322 L345 C346	S320-F322 WeakPolarHBondContact O-CD2 3.38Å; S320-F322 WeakPolarHBondContact O-CE2 3.22Å; S320-F322 PolarHBondContact O-N 3.1Å; S320-L345 WeakPolarHBondContact OG-CD2 3.45Å; S320-C346 CarbonylContact C-O 3.56Å; S320-C346 PolarHBondContact N-O 2.87Å; S320-C346 CarbonylContact O-C 3.38Å
321	C	42.9	Very low	46.3	Very low	10 Å²	10	42 Å²	42	7%	0.068	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-70.1	117.5	178.5	-57.9	0	0	0	0	108.8	T299 I330 C348	T299-C321 HydrophobicContact CG2-CB 3.89Å; T299-C321 WeakPolarHBondContact CG2-SG 3.38Å; C321-I330 WeakPolarHBondContact O-CD1 3.39Å; C321-C348 HydrophobicContact CB-CB 4.33Å
322	F	39.7	Very low	44.2	Very low	14 Å²	14	41.9 Å²	41.9	6%	0.061	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-90.1	137.9	178.1	-67.4	-81.1	0	0	0	110.1	S320 I327 L345 V347 I350	S320-F322 WeakPolarHBondContact O-CD2 3.38Å; S320-F322 WeakPolarHBondContact O-CE2 3.22Å; S320-F322 PolarHBondContact O-N 3.1Å; F322-I327 HydrophobicContact CB-CG1 4.06Å; F322-I327 HydrophobicContact CD1-CB 3.86Å; F322-I327 HydrophobicContact CD1-CD1 4.31Å; F322-I327 HydrophobicContact CD1-CG1 3.64Å; F322-I327 HydrophobicContact CD1-CG2 3.65Å; F322-I327 HydrophobicContact CE1-CB 4.41Å; F322-I327 HydrophobicContact CE1-CG2 3.71Å; F322-I327 HydrophobicContact CG-CG1 4.21Å; F322-L345 HydrophobicContact CZ-CD1 4.3Å; F322-V347 HydrophobicContact CB-CG1 4.34Å; F322-V347 HydrophobicContact CD2-CB 3.71Å; F322-V347 HydrophobicContact CD2-CG1 3.72Å; F322-V347 HydrophobicContact CD2-CG2 3.29Å; F322-V347 HydrophobicContact CE2-CB 4.12Å; F322-V347 HydrophobicContact CE2-CG2 3.27Å; F322-V347 HydrophobicContact CG-CG1 4.43Å; F322-V347 HydrophobicContact CG-CG2 4.47Å; F322-V347 HydrophobicContact CZ-CG2 4.45Å; F322-I350 VanDerWaalsContact O-CD1 3.27Å; F322-I350 WeakPolarHBondContact O-CD1 3.41Å; F322-I350 WeakPolarHBondContact O-CG1 3.01Å
323	Q	35.1	Very low	42.1	Very low	52 Å²	52	48.2 Å²	48.2	24%	0.243	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-101.9	148.3	164.8	-168.8	-173.7	-1.4	0	0	108.9	P300 I325 L326 I327 I350	P300-Q323 HydrophobicContact CG-CB 4.24Å; Q323-I325 PolarHBondContact O-N 3.2Å; Q323-L326 HydrophobicContact CB-CB 4.31Å; Q323-L326 PolarHBondContact O-N 3.1Å; Q323-I327 PolarHBondContact O-N 2.84Å; Q323-I350 VanDerWaalsContact CA-CD1 3.44Å
324	E	38.5	Very low	39.8	Very low	37 Å²	37	44.8 Å²	44.8	17%	0.173	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	5.2	173.3	-120	-169.7	167.7	0	0	113.3	N12 T14 I350	N12-E324 PolarHBondContact N-OE2 3.41Å; T14-E324 PolarHBondContact OG1-OE1 3.41Å; E324-I350 HydrophobicContact CB-CD1 4.03Å
325	I	30.4	Very low	38.1	Very low	35 Å²	35	48 Å²	48	18%	0.179	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-14.6	171.8	-61.8	170.7	0	0	0	111.6	I7 Y11 Q323	I7-I325 HydrophobicContact CD1-CG2 4.23Å; I7-I325 HydrophobicContact CG2-CB 4.09Å; I7-I325 HydrophobicContact CG2-CD1 3.18Å; I7-I325 HydrophobicContact CG2-CG1 3.47Å; I7-I325 VanDerWaalsContact CG2-CG1 3.47Å; I7-I325 HydrophobicContact CG2-CG2 3.43Å; I7-I325 VanDerWaalsContact CG2-CG2 3.43Å; Y11-I325 HydrophobicContact CE1-CD1 4.26Å; Q323-I325 PolarHBondContact O-N 3.2Å
326	L	29.2	Very low	37	Very low	62 Å²	62	50.5 Å²	50.5	33%	0.325	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	41.5	-168.6	-77.3	168.4	0	0	0	113.4	Q323 F328 S329 I330	Q323-L326 HydrophobicContact CB-CB 4.31Å; Q323-L326 PolarHBondContact O-N 3.1Å; L326-F328 PolarHBondContact O-N 2.97Å; L326-S329 WeakPolarHBondContact CB-OG 2.86Å; L326-S329 VanDerWaalsContact CD1-OG 3.25Å; L326-S329 WeakPolarHBondContact CD1-OG 3.25Å; L326-S329 WeakPolarHBondContact CD2-OG 3.42Å; L326-S329 WeakPolarHBondContact CG-OG 3.19Å; L326-I330 PolarHBondContact O-N 3.42Å
327	I	34.4	Very low	35.8	Very low	15 Å²	15	53.1 Å²	53.1	8%	0.077	28%	0.279	C	S	.	.	H	α-helix	trans	-47.8	-35.2	148.4	-57.3	-171.7	0	0	0	109.6	F38 T43 F322 Q323 L331	F38-I327 HydrophobicContact CD1-CD1 3.74Å; F38-I327 HydrophobicContact CD2-CD1 4.28Å; F38-I327 HydrophobicContact CE1-CD1 3.82Å; F38-I327 HydrophobicContact CE2-CD1 4.35Å; F38-I327 HydrophobicContact CG-CD1 3.98Å; F38-I327 HydrophobicContact CZ-CD1 4.13Å; T43-I327 HydrophobicContact CG2-CG2 3.63Å; F322-I327 HydrophobicContact CB-CG1 4.06Å; F322-I327 HydrophobicContact CD1-CB 3.86Å; F322-I327 HydrophobicContact CD1-CD1 4.31Å; F322-I327 HydrophobicContact CD1-CG1 3.64Å; F322-I327 HydrophobicContact CD1-CG2 3.65Å; F322-I327 HydrophobicContact CE1-CB 4.41Å; F322-I327 HydrophobicContact CE1-CG2 3.71Å; F322-I327 HydrophobicContact CG-CG1 4.21Å; Q323-I327 PolarHBondContact O-N 2.84Å; I327-L331 HydrophobicContact CG2-CD1 4.19Å; I327-L331 WeakPolarHBondContact O-CD1 3.43Å; I327-L331 WeakPolarHBondContact O-CG 3.48Å; I327-L331 PolarHBondContact O-N 3.26Å
328	F	32.1	Very low	34.9	Very low	57 Å²	57	55.3 Å²	55.3	25%	0.25	29%	0.294	C	S	.	.	H	α-helix	trans	-85.7	-28.1	-174	-68.8	-94.3	0	0	0	116.5	T43 Q54 L326 A332	T43-F328 HydrophobicContact CG2-CD1 3.64Å; T43-F328 HydrophobicContact CG2-CD2 4.11Å; T43-F328 HydrophobicContact CG2-CE1 3.28Å; T43-F328 HydrophobicContact CG2-CE2 3.82Å; T43-F328 HydrophobicContact CG2-CG 4.07Å; T43-F328 HydrophobicContact CG2-CZ 3.41Å; T43-F328 VanDerWaalsContact CG2-CZ 3.41Å; Q54-F328 HydrophobicContact CG-CE2 4.45Å; Q54-F328 HydrophobicContact CG-CZ 4.41Å; L326-F328 PolarHBondContact O-N 2.97Å; F328-A332 PolarHBondContact O-N 3.46Å
329	S	29.8	Very low	34.4	Very low	48 Å²	48	58.2 Å²	58.2	34%	0.336	32%	0.316	S	S	.	.	H	α-helix	trans	-89.6	-15.2	176.3	71.5	0	0	0	0	113.7	L326 A332	L326-S329 WeakPolarHBondContact CB-OG 2.86Å; L326-S329 VanDerWaalsContact CD1-OG 3.25Å; L326-S329 WeakPolarHBondContact CD1-OG 3.25Å; L326-S329 WeakPolarHBondContact CD2-OG 3.42Å; L326-S329 WeakPolarHBondContact CG-OG 3.19Å; S329-A332 WeakPolarHBondContact O-CB 2.99Å
330	I	34.9	Very low	33.6	Very low	45 Å²	45	59.6 Å²	59.6	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-82.6	-35.7	173.7	-64.3	175.5	0	0	0	109	C321 L326 A332 F333 C334	C321-I330 WeakPolarHBondContact O-CD1 3.39Å; L326-I330 PolarHBondContact O-N 3.42Å; I330-A332 VanDerWaalsContact C-N 3.28Å; I330-A332 PolarHBondContact O-N 3.31Å; I330-F333 WeakPolarHBondContact O-CA 2.95Å; I330-F333 WeakPolarHBondContact O-CB 3.1Å; I330-F333 PolarHBondContact O-N 2.89Å; I330-C334 PolarHBondContact O-N 2.97Å; I330-C334 VanDerWaalsContact O-N 3.1Å
331	L	32.4	Very low	33.1	Very low	8 Å²	8	59.9 Å²	59.9	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-31.7	166.6	-64.4	169.4	0	0	0	112.7	T43 E47 I327 F333 C334 S335 L342	T43-L331 HydrophobicContact CG2-CD1 3.45Å; T43-L331 VanDerWaalsContact CG2-CD1 3.45Å; E47-L331 WeakPolarHBondContact OE1-CB 3.31Å; I327-L331 HydrophobicContact CG2-CD1 4.19Å; I327-L331 WeakPolarHBondContact O-CD1 3.43Å; I327-L331 WeakPolarHBondContact O-CG 3.48Å; I327-L331 PolarHBondContact O-N 3.26Å; L331-F333 PolarHBondContact O-N 3.24Å; L331-F333 VanDerWaalsContact O-N 3.12Å; L331-C334 CarbonylContact O-C 3.45Å; L331-C334 WeakPolarHBondContact O-CA 3.5Å; L331-C334 PolarHBondContact O-N 3.41Å; L331-S335 PolarHBondContact O-N 3.45Å; L331-L342 HydrophobicContact CD2-CD2 3.99Å
332	A	29.4	Very low	32.7	Very low	55 Å²	55	60.9 Å²	60.9	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-58.4	-25.2	168.6	0	0	0	0	0	113.7	F328 S329 I330 S335	F328-A332 PolarHBondContact O-N 3.46Å; S329-A332 WeakPolarHBondContact O-CB 2.99Å; I330-A332 VanDerWaalsContact C-N 3.28Å; I330-A332 PolarHBondContact O-N 3.31Å; A332-S335 WeakPolarHBondContact O-CB 3.21Å; A332-S335 PolarHBondContact O-OG 2.92Å
333	F	31.4	Very low	32.2	Very low	185 Å²	185	66.5 Å²	66.5	81%	0.811	36%	0.362	S	S	*	.	H	α-helix	trans	-84.3	-31.6	170.8	-116.4	-86.2	0	0	0	112.6	I330 L331 S335	I330-F333 WeakPolarHBondContact O-CA 2.95Å; I330-F333 WeakPolarHBondContact O-CB 3.1Å; I330-F333 PolarHBondContact O-N 2.89Å; L331-F333 PolarHBondContact O-N 3.24Å; L331-F333 VanDerWaalsContact O-N 3.12Å; F333-S335 PolarHBondContact O-N 3.31Å
334	C	32.2	Very low	32.3	Very low	23 Å²	23	67.7 Å²	67.7	16%	0.155	36%	0.364	C	S	.	.	H	α-helix	trans	-72.8	-6.2	173	-62	0	0	0	0	113.8	I330 L331 F336 L337	I330-C334 PolarHBondContact O-N 2.97Å; I330-C334 VanDerWaalsContact O-N 3.1Å; L331-C334 CarbonylContact O-C 3.45Å; L331-C334 WeakPolarHBondContact O-CA 3.5Å; L331-C334 PolarHBondContact O-N 3.41Å; C334-F336 PolarHBondContact O-N 3.29Å; C334-L337 PolarHBondContact O-N 3.45Å
335	S	33	Very low	32.2	Very low	71 Å²	71	66 Å²	66	50%	0.497	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-7.8	179.4	61	0	0	0	0	116.4	L331 A332 F333	L331-S335 PolarHBondContact O-N 3.45Å; A332-S335 WeakPolarHBondContact O-CB 3.21Å; A332-S335 PolarHBondContact O-OG 2.92Å; F333-S335 PolarHBondContact O-N 3.31Å
336	F	36.7	Very low	32.5	Very low	191 Å²	191	64.3 Å²	64.3	84%	0.838	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	1.2	173.8	-68.1	-76.9	0	0	0	114.7	C334	C334-F336 PolarHBondContact O-N 3.29Å
337	L	28.2	Very low	33.3	Very low	79 Å²	79	61.5 Å²	61.5	41%	0.414	33%	0.333	S	S	.	.	S	Bend	trans	-114.8	134.6	-170.8	-66.6	166	0	0	0	112.1	E318 C334 V341	E318-L337 VanDerWaalsContact OE2-CD1 3.27Å; E318-L337 WeakPolarHBondContact OE2-CD1 3.38Å; C334-L337 PolarHBondContact O-N 3.45Å; L337-V341 HydrophobicContact CB-CB 4.08Å; L337-V341 HydrophobicContact CB-CG1 3.93Å; L337-V341 HydrophobicContact CB-CG2 4.11Å; L337-V341 HydrophobicContact CD1-CG1 4.2Å
338	P	28.6	Very low	33.7	Very low	87 Å²	87	60.9 Å²	60.9	57%	0.565	33%	0.33	S	S	*	.			trans	-68.5	154.1	-174.6	22.6	-29.7	0	0	0	112.9	A340 V341	P338-A340 PolarHBondContact O-N 3.46Å; P338-V341 HydrophobicContact CG-CG2 3.97Å; P338-V341 WeakPolarHBondContact O-CA 3.37Å; P338-V341 WeakPolarHBondContact O-CB 3.27Å; P338-V341 VanDerWaalsContact O-CG2 3.3Å; P338-V341 WeakPolarHBondContact O-CG2 3.46Å; P338-V341 PolarHBondContact O-N 3.04Å
339	V	33.9	Very low	34.2	Very low	116 Å²	116	58.3 Å²	58.3	70%	0.703	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-42.6	-35.7	-179.8	178.2	0	0	0	0	114.6	V341 L342	V339-V341 PolarHBondContact O-N 2.8Å; V339-L342 PolarHBondContact O-N 2.75Å
340	A	29.5	Very low	34.7	Very low	54 Å²	54	56.9 Å²	56.9	45%	0.446	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-61.5	-12.7	175.7	0	0	0	0	0	114.3	P338 R344	P338-A340 PolarHBondContact O-N 3.46Å; A340-R344 WeakPolarHBondContact O-CD 3.33Å; A340-R344 VanDerWaalsContact O-CZ 3.24Å; A340-R344 PolarHBondContact O-NE 2.93Å
341	V	32.9	Very low	34.3	Very low	13 Å²	13	55.8 Å²	55.8	8%	0.079	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-87	-27.9	-179.7	176.2	0	0	0	0	112	E318 L337 P338 V339 E343 R344	E318-V341 HydrophobicContact CG-CG1 4.29Å; E318-V341 WeakPolarHBondContact OE1-CG1 2.83Å; E318-V341 WeakPolarHBondContact OE2-CG1 3.28Å; L337-V341 HydrophobicContact CB-CB 4.08Å; L337-V341 HydrophobicContact CB-CG1 3.93Å; L337-V341 HydrophobicContact CB-CG2 4.11Å; L337-V341 HydrophobicContact CD1-CG1 4.2Å; P338-V341 HydrophobicContact CG-CG2 3.97Å; P338-V341 WeakPolarHBondContact O-CA 3.37Å; P338-V341 WeakPolarHBondContact O-CB 3.27Å; P338-V341 VanDerWaalsContact O-CG2 3.3Å; P338-V341 WeakPolarHBondContact O-CG2 3.46Å; P338-V341 PolarHBondContact O-N 3.04Å; V339-V341 PolarHBondContact O-N 2.8Å; V341-E343 PolarHBondContact O-N 3.25Å; V341-R344 VanDerWaalsContact O-CB 3.32Å; V341-R344 WeakPolarHBondContact O-CB 3.25Å; V341-R344 WeakPolarHBondContact O-CD 3.47Å; V341-R344 PolarHBondContact O-N 3Å; V341-R344 VanDerWaalsContact O-N 3.1Å
342	L	34.6	Very low	34	Very low	31 Å²	31	56.8 Å²	56.8	16%	0.162	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-74.4	-24.7	-175.5	-68.4	154.6	0	0	0	113	E44 L331 V339 R344 L345	E44-L342 HydrophobicContact CG-CD1 4.11Å; E44-L342 WeakPolarHBondContact OE1-CD1 3.46Å; E44-L342 WeakPolarHBondContact OE2-CD1 3.39Å; L331-L342 HydrophobicContact CD2-CD2 3.99Å; V339-L342 PolarHBondContact O-N 2.75Å; L342-R344 PolarHBondContact O-N 2.91Å; L342-L345 HydrophobicContact CB-CD1 4.32Å; L342-L345 HydrophobicContact CD2-CD1 3.9Å; L342-L345 WeakPolarHBondContact O-CD1 3.43Å; L342-L345 VanDerWaalsContact O-CG 3.25Å; L342-L345 WeakPolarHBondContact O-CG 3.47Å
343	E	28.4	Very low	33.7	Very low	132 Å²	132	60.3 Å²	60.3	62%	0.617	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-62.2	-10	168.5	-68.1	179.9	164.6	0	0	113	D311 V341	D311-E343 WeakPolarHBondContact CB-O 3.18Å; V341-E343 PolarHBondContact O-N 3.25Å
344	R	37.5	Very low	33.3	Very low	77 Å²	77	55.8 Å²	55.8	29%	0.291	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-107.6	10.3	-170.1	-60.7	123.3	169.5	-132.1	17.6	115.7	A314 S316 A340 V341 L342	A314-R344 HydrophobicContact CB-CB 4.12Å; A314-R344 HydrophobicContact CB-CG 3.66Å; S316-R344 WeakPolarHBondContact OG-CB 2.97Å; S316-R344 WeakPolarHBondContact OG-CD 3.46Å; S316-R344 WeakPolarHBondContact OG-CG 3.19Å; S316-R344 PolarHBondContact OG-NE 3.34Å; S316-R344 PolarHBondContact OG-NH1 3.18Å; A340-R344 WeakPolarHBondContact O-CD 3.33Å; A340-R344 VanDerWaalsContact O-CZ 3.24Å; A340-R344 PolarHBondContact O-NE 2.93Å; V341-R344 VanDerWaalsContact O-CB 3.32Å; V341-R344 WeakPolarHBondContact O-CB 3.25Å; V341-R344 WeakPolarHBondContact O-CD 3.47Å; V341-R344 PolarHBondContact O-N 3Å; V341-R344 VanDerWaalsContact O-N 3.1Å; L342-R344 PolarHBondContact O-N 2.91Å
345	L	36.1	Very low	32.8	Very low	2 Å²	2	59.4 Å²	59.4	1%	0.01	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-77.4	136.2	-169.4	-59.3	162.3	0	0	0	113.8	A310 E318 S320 F322 L342	A310-L345 WeakPolarHBondContact CB-O 3.4Å; A310-L345 PolarHBondContact N-O 2.69Å; E318-L345 WeakPolarHBondContact O-CA 3.12Å; S320-L345 WeakPolarHBondContact OG-CD2 3.45Å; F322-L345 HydrophobicContact CZ-CD1 4.3Å; L342-L345 HydrophobicContact CB-CD1 4.32Å; L342-L345 HydrophobicContact CD2-CD1 3.9Å; L342-L345 WeakPolarHBondContact O-CD1 3.43Å; L342-L345 VanDerWaalsContact O-CG 3.25Å; L342-L345 WeakPolarHBondContact O-CG 3.47Å
346	C	36.4	Very low	32.3	Very low	0 Å²	0	60 Å²	60	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.4	166.1	-72.6	0	0	0	0	112.9	R308 E318 V319 S320	R308-C346 CarbonylContact O-C 3.07Å; R308-C346 WeakPolarHBondContact O-CA 3.11Å; E318-C346 PolarHBondContact O-N 3.12Å; V319-C346 HydrophobicContact CB-CB 4.29Å; V319-C346 HydrophobicContact CG1-CB 3.95Å; V319-C346 HydrophobicContact CG2-CB 4.28Å; S320-C346 CarbonylContact C-O 3.56Å; S320-C346 PolarHBondContact N-O 2.87Å; S320-C346 CarbonylContact O-C 3.38Å
347	V	47.6	Very low	31.6	Very low	2 Å²	2	59.2 Å²	59.2	1%	0.012	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	137.3	176.3	177.2	0	0	0	0	111.2	A17 F19 L26 I307 R308 F322	A17-V347 HydrophobicContact CB-CG1 4.04Å; F19-V347 HydrophobicContact CE1-CG2 4.12Å; F19-V347 HydrophobicContact CE2-CB 4.39Å; F19-V347 HydrophobicContact CE2-CG2 3.5Å; F19-V347 HydrophobicContact CZ-CB 4.45Å; F19-V347 HydrophobicContact CZ-CG2 3.19Å; L26-V347 HydrophobicContact CD1-CG2 3.96Å; L26-V347 HydrophobicContact CD2-CG1 4.34Å; L26-V347 HydrophobicContact CD2-CG2 4.01Å; I307-V347 CarbonylContact C-O 3.59Å; I307-V347 VanDerWaalsContact CA-O 3.28Å; I307-V347 WeakPolarHBondContact CA-O 3.44Å; R308-V347 PolarHBondContact N-O 2.73Å; R308-V347 PolarHBondContact O-N 2.84Å; F322-V347 HydrophobicContact CB-CG1 4.34Å; F322-V347 HydrophobicContact CD2-CB 3.71Å; F322-V347 HydrophobicContact CD2-CG1 3.72Å; F322-V347 HydrophobicContact CD2-CG2 3.29Å; F322-V347 HydrophobicContact CE2-CB 4.12Å; F322-V347 HydrophobicContact CE2-CG2 3.27Å; F322-V347 HydrophobicContact CG-CG1 4.43Å; F322-V347 HydrophobicContact CG-CG2 4.47Å; F322-V347 HydrophobicContact CZ-CG2 4.45Å
348	C	42.4	Very low	31.3	Very low	2 Å²	2	65.1 Å²	65.1	1%	0.014	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.8	167.8	-60	0	0	0	0	110.4	T284 I304 D306 C321	T284-C348 PolarHBondContact OG1-SG 2.72Å; I304-C348 HydrophobicContact CG1-CB 4.4Å; I304-C348 HydrophobicContact CG2-CB 4.13Å; D306-C348 WeakPolarHBondContact O-CA 3.32Å; C321-C348 HydrophobicContact CB-CB 4.33Å
349	T	42.9	Very low	31.4	Very low	3 Å²	3	64.1 Å²	64.1	2%	0.018	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141	-178.1	-62.1	0	0	0	0	112	T14 A17 I304 Y305 D306	T14-T349 HydrophobicContact CG2-CG2 3.29Å; T14-T349 WeakPolarHBondContact O-CG2 3.19Å; A17-T349 WeakPolarHBondContact CB-OG1 3.49Å; I304-T349 WeakPolarHBondContact CA-O 3.3Å; Y305-T349 PolarHBondContact N-O 3.14Å; D306-T349 PolarHBondContact O-N 3.18Å
350	I	39.8	Very low	31.3	Very low	18 Å²	18	61.3 Å²	61.3	9%	0.092	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.6	-152	-48.3	138.7	0	0	0	113.2	T14 C301 F322 Q323 E324	T14-I350 PolarHBondContact N-O 2.81Å; T14-I350 VanDerWaalsContact O-O 3.09Å; C301-I350 HydrophobicContact CB-CG2 4.45Å; F322-I350 VanDerWaalsContact O-CD1 3.27Å; F322-I350 WeakPolarHBondContact O-CD1 3.41Å; F322-I350 WeakPolarHBondContact O-CG1 3.01Å; Q323-I350 VanDerWaalsContact CA-CD1 3.44Å; E324-I350 HydrophobicContact CB-CD1 4.03Å
351	I	27.1	Very low	31.4	Very low	23 Å²	23	61.7 Å²	61.7	12%	0.118	37%	0.369	C	S	.	.			trans	-114.2	128.2	152.7	-59.9	-162.6	0	0	0	110.6	T13 Y305	T13-I351 HydrophobicContact CG2-CB 4.43Å; T13-I351 HydrophobicContact CG2-CD1 3.43Å; T13-I351 VanDerWaalsContact CG2-CD1 3.43Å; T13-I351 HydrophobicContact CG2-CG1 3.51Å; T13-I351 HydrophobicContact CG2-CG2 4.39Å; Y305-I351 HydrophobicContact CD2-CD1 3.67Å; Y305-I351 HydrophobicContact CD2-CG1 3.54Å; Y305-I351 HydrophobicContact CE1-CD1 4.32Å; Y305-I351 HydrophobicContact CE2-CB 4.15Å; Y305-I351 HydrophobicContact CE2-CD1 2.92Å; Y305-I351 HydrophobicContact CE2-CG1 3.18Å; Y305-I351 VanDerWaalsContact OH-CD1 3.31Å; Y305-I351 WeakPolarHBondContact OH-CD1 3.31Å
352	S	25.8	Very low	31.3	Very low	29 Å²	29	64.6 Å²	64.6	20%	0.203	39%	0.386	C	S	.	.			trans	-96	103.5	158.9	69.2	0	0	0	0	110.1	Y11 T354	Y11-S352 WeakPolarHBondContact CD1-OG 3.44Å; S352-T354 VanDerWaalsContact C-N 3.34Å; S352-T354 PolarHBondContact O-N 3.41Å; S352-T354 VanDerWaalsContact O-N 3.17Å
353	D	21.9	Very low	31.1	Very low	129 Å²	129	66.7 Å²	66.7	69%	0.69	40%	0.401	S	S	*	.			trans	-80	89.5	158.7	-103.7	-11.6	0	0	0	107.8
354	T	23.5	Very low	31.3	Very low	89 Å²	89	62.3 Å²	62.3	55%	0.546	39%	0.386	S	S	.	.			trans	-115.6	60.8	160.5	45.7	0	0	0	0	109.5	Y11 S352	Y11-T354 WeakPolarHBondContact CD1-OG1 3.41Å; Y11-T354 HydrophobicContact CE1-CG2 4.39Å; S352-T354 VanDerWaalsContact C-N 3.34Å; S352-T354 PolarHBondContact O-N 3.41Å; S352-T354 VanDerWaalsContact O-N 3.17Å
355	A	22.6	Very low	30.8	Very low	99 Å²	99	61.3 Å²	61.3	82%	0.818	39%	0.393	S	S	*	.			trans	-117.8	40.3	155.5	0	0	0	0	0	110.2
356	A	22	Very low	30.4	Very low	83 Å²	83	65.8 Å²	65.8	69%	0.686	42%	0.422	S	S	*	.	S	Bend	trans	-150.2	80.8	169.1	0	0	0	0	0	109.3
357	L	21.3	Very low	29.9	Very low	176 Å²	176	71.3 Å²	71.3	92%	0.921	46%	0.458	S	S	*	.			trans	178.3	99.9	149	-93	151.3	0	0	0	106.7
358	C	22.4	Very low	28.3	Very low	203 Å²	203	77.6 Å²	77.6	100%	1.372	50%	0.498	S	S	*	.			trans	-56.3	0	159.3	-74.1	0	0	0	0	110.9

Retrieved 358 of 358 residues in 157.8 ms (Link to these results)

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