A0A077Z6V1_TRITR Loading...

Death associated LIM only protein

AlphaFold DB , UniProt , Accession A0A077Z6V1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 124 aa.

						>A0A077Z6V1_TRITR|A0A077Z6V1
MESGKPVTCSSCQQKILSGQAITAFGSSYHLEHFVCFKCRKQMPEGSCFKKGNDLWCPACIEEAKQKCAGCKRPLNEKALGALGKLWHLECFCCVRCKKQLKDGVFLAINEKQYCHSCAPMHNN
					

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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	43.7	Very low	75.3	Confident	242 Å²	242	101.6 Å²	101.6	100%	1.192	58%	0.582	S	S	*	*				0	102.2	0	-64.8	176.8	178	0	0	106.6	S3	M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.39Å
2	E	53	Low	76.9	Confident	202 Å²	202	96.3 Å²	96.3	94%	0.944	56%	0.555	S	S	*	*			trans	-71.2	95.9	173.6	-67.1	-169.5	126	0	0	107.3	G4	E2-G4 PolarHBondContact O-N 3.1Å
3	S	56.7	Low	78.2	Confident	112 Å²	112	99.6 Å²	99.6	78%	0.783	56%	0.563	S	S	*	*			trans	-67.5	83.4	169.5	-170.9	0	0	0	0	106.5	M1 K5	M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.39Å; S3-K5 PolarHBondContact O-N 3.36Å; S3-K5 VanDerWaalsContact O-N 3.11Å
4	G	64	Low	79.4	Confident	63 Å²	63	101.8 Å²	101.8	65%	0.649	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-50.6	121.9	173.7	0	0	0	0	0	107.4	E2	E2-G4 PolarHBondContact O-N 3.1Å
5	K	65.7	Low	80.3	Confident	191 Å²	191	103.7 Å²	103.7	83%	0.83	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-48.4	129.2	-178.8	-77.6	179.5	178.2	174.6	0	108.2	S3 V7	S3-K5 PolarHBondContact O-N 3.36Å; S3-K5 VanDerWaalsContact O-N 3.11Å; K5-V7 PolarHBondContact O-N 3.05Å; K5-V7 VanDerWaalsContact O-N 3.12Å
6	P	79.7	Confident	81.1	Confident	81 Å²	81	98.4 Å²	98.4	53%	0.526	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-59.7	122.7	-177.8	23.3	-32.2	0	0	0	109	K15	P6-K15 HydrophobicContact CB-CD 4.1Å; P6-K15 HydrophobicContact CB-CG 4.36Å
7	V	89.7	Confident	81.4	Confident	59 Å²	59	101.3 Å²	101.3	36%	0.358	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-77.6	125.1	176.2	-177.2	0	0	0	0	107.9	K5 K15 I16 A21 S28	K5-V7 PolarHBondContact O-N 3.05Å; K5-V7 VanDerWaalsContact O-N 3.12Å; V7-K15 CarbonylContact O-C 3.6Å; V7-K15 WeakPolarHBondContact O-CA 3.38Å; V7-I16 HydrophobicContact CG1-CD1 3.92Å; V7-I16 HydrophobicContact CG1-CG1 4.44Å; V7-I16 PolarHBondContact O-N 2.98Å; V7-A21 HydrophobicContact CG1-CB 4.29Å; V7-S28 VanDerWaalsContact CG1-OG 3.29Å; V7-S28 WeakPolarHBondContact CG1-OG 3.31Å
8	T	94.3	Very high	81	Confident	59 Å²	59	101.3 Å²	101.3	36%	0.362	56%	0.559	S	S	.	*	B	Isolated β-bridge	trans	-105.9	131.9	-179.8	-60.1	0	0	0	0	110	S10 Q13	T8-S10 PolarHBondContact O-N 3.21Å; T8-Q13 WeakPolarHBondContact CG2-O 3.45Å
9	C	94.4	Very high	80.5	Confident	0 Å²	0	99.9 Å²	99.9	0%	0	57%	0.571	C	S	.	*	B	Isolated β-bridge	trans	-67.9	118.8	175.4	175.5	0	0	0	0	110.2	S11 C12 Q13 Q14 I16 S28 H30 H33	C9-S11 PolarHBondContact O-N 2.82Å; C9-S11 VanDerWaalsContact O-N 3.14Å; C9-S11 PolarHBondContact SG-N 3.17Å; C9-C12 VanDerWaalsContact CB-SG 3.59Å; C9-C12 PolarHBondContact O-N 3.49Å; C9-C12 VanDerWaalsContact SG-SG 3.68Å; C9-Q13 WeakPolarHBondContact O-CA 3.06Å; C9-Q13 PolarHBondContact O-N 3.15Å; C9-Q14 WeakPolarHBondContact CB-O 3.48Å; C9-Q14 PolarHBondContact N-O 3.38Å; C9-I16 HydrophobicContact CB-CD1 4.11Å; C9-I16 HydrophobicContact CB-CG1 3.94Å; C9-S28 CarbonylContact C-O 3.48Å; C9-S28 VanDerWaalsContact CA-O 3.26Å; C9-S28 WeakPolarHBondContact CA-O 3.41Å; C9-H30 PolarHBondContact SG-N 3.39Å; C9-H33 PolarHBondContact SG-ND1 3.08Å; C9-H33 VanDerWaalsContact SG-ND1 3.44Å
10	S	93.7	Very high	80.7	Confident	47 Å²	47	101.8 Å²	101.8	33%	0.329	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.2	-10.7	-179.9	-55.8	0	0	0	0	114.1	T8 Q13 S27 S28	T8-S10 PolarHBondContact O-N 3.21Å; S10-Q13 PolarHBondContact O-NE2 3.17Å; S10-S27 WeakPolarHBondContact OG-CB 3.23Å; S10-S28 PolarHBondContact N-O 2.93Å
11	S	93.6	Very high	81.1	Confident	62 Å²	62	98.6 Å²	98.6	43%	0.434	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.9	-43	175.4	-173.7	0	0	0	0	113.6	C9	C9-S11 PolarHBondContact O-N 2.82Å; C9-S11 VanDerWaalsContact O-N 3.14Å; C9-S11 PolarHBondContact SG-N 3.17Å
12	C	94.3	Very high	83.5	Confident	38 Å²	38	87.7 Å²	87.7	26%	0.257	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-3.9	-177.1	71.4	0	0	0	0	114	C9 Q14 H30 H33	C9-C12 VanDerWaalsContact CB-SG 3.59Å; C9-C12 PolarHBondContact O-N 3.49Å; C9-C12 VanDerWaalsContact SG-SG 3.68Å; C12-Q14 PolarHBondContact O-N 2.86Å; C12-Q14 VanDerWaalsContact O-N 3.08Å; C12-H30 VanDerWaalsContact SG-CE1 3.52Å; C12-H30 PolarHBondContact SG-ND1 3.35Å; C12-H30 VanDerWaalsContact SG-ND1 3.37Å; C12-H33 VanDerWaalsContact CB-CE1 3.4Å; C12-H33 WeakPolarHBondContact CB-CE1 3.2Å; C12-H33 PolarHBondContact SG-CE1 2.86Å; C12-H33 PolarHBondContact SG-ND1 2.99Å; C12-H33 VanDerWaalsContact SG-ND1 3.43Å
13	Q	94.5	Very high	85.3	Confident	139 Å²	139	81.7 Å²	81.7	65%	0.65	48%	0.484	S	S	*	.			trans	61.2	10.2	-177.9	-51.9	-58.7	-30.1	0	0	115.1	T8 C9 S10	T8-Q13 WeakPolarHBondContact CG2-O 3.45Å; C9-Q13 WeakPolarHBondContact O-CA 3.06Å; C9-Q13 PolarHBondContact O-N 3.15Å; S10-Q13 PolarHBondContact O-NE2 3.17Å
14	Q	94.6	Very high	87	Confident	130 Å²	130	77 Å²	77	61%	0.607	45%	0.452	S	S	*	.			trans	-91	155.4	175.5	-60	-179.4	0.4	0	0	111.5	C9 C12	C9-Q14 WeakPolarHBondContact CB-O 3.48Å; C9-Q14 PolarHBondContact N-O 3.38Å; C12-Q14 PolarHBondContact O-N 2.86Å; C12-Q14 VanDerWaalsContact O-N 3.08Å
15	K	93.1	Very high	88.4	Confident	131 Å²	131	79.1 Å²	79.1	57%	0.57	44%	0.444	S	S	*	.	B	Isolated β-bridge	trans	-67.1	136.5	176.2	-63.9	-179.6	-176.7	176.1	0	110.4	P6 V7 L17	P6-K15 HydrophobicContact CB-CD 4.1Å; P6-K15 HydrophobicContact CB-CG 4.36Å; V7-K15 CarbonylContact O-C 3.6Å; V7-K15 WeakPolarHBondContact O-CA 3.38Å; K15-L17 HydrophobicContact CB-CD2 3.93Å; K15-L17 PolarHBondContact O-N 2.95Å
16	I	92.6	Very high	89.6	Confident	18 Å²	18	73.9 Å²	73.9	9%	0.092	44%	0.443	C	S	.	.			trans	-86.4	100.8	172.5	-51	-179.5	0	0	0	107.6	V7 C9 A21 Y29	V7-I16 HydrophobicContact CG1-CD1 3.92Å; V7-I16 HydrophobicContact CG1-CG1 4.44Å; V7-I16 PolarHBondContact O-N 2.98Å; C9-I16 HydrophobicContact CB-CD1 4.11Å; C9-I16 HydrophobicContact CB-CG1 3.94Å; I16-A21 HydrophobicContact CD1-CB 3.57Å; I16-A21 HydrophobicContact CG2-CB 4.02Å; I16-Y29 VanDerWaalsContact CD1-C 3.45Å
17	L	86.6	Confident	90.2	Very high	148 Å²	148	71.1 Å²	71.1	78%	0.775	43%	0.426	S	S	*	.			trans	-84.1	-31.5	-175.1	-56.7	-179.6	0	0	0	112.6	K15 G19	K15-L17 HydrophobicContact CB-CD2 3.93Å; K15-L17 PolarHBondContact O-N 2.95Å; L17-G19 VanDerWaalsContact C-N 3.27Å; L17-G19 PolarHBondContact O-N 3.44Å; L17-G19 VanDerWaalsContact O-N 3.16Å
18	S	73.3	Confident	90.4	Very high	102 Å²	102	69.4 Å²	69.4	71%	0.713	42%	0.417	S	S	*	.	S	Bend	trans	-83	13.6	-164.5	-47.3	0	0	0	0	115.4	Q20	S18-Q20 PolarHBondContact O-N 3Å
19	G	72.5	Confident	90.4	Very high	75 Å²	75	67.1 Å²	67.1	77%	0.773	40%	0.402	S	S	*	.	S	Bend	trans	68.3	-21.9	179.7	0	0	0	0	0	116	L17 A21	L17-G19 VanDerWaalsContact C-N 3.27Å; L17-G19 PolarHBondContact O-N 3.44Å; L17-G19 VanDerWaalsContact O-N 3.16Å; G19-A21 PolarHBondContact O-N 3.13Å
20	Q	83.2	Confident	90.3	Very high	137 Å²	137	68.7 Å²	68.7	64%	0.64	41%	0.409	S	S	*	.			trans	-92.1	91.4	176.8	-65.5	-179.8	-24.5	0	0	110.2	S18 L31	S18-Q20 PolarHBondContact O-N 3Å; Q20-L31 HydrophobicContact CB-CD1 4.22Å
21	A	91	Very high	90.2	Very high	34 Å²	34	70.4 Å²	70.4	28%	0.281	41%	0.414	S	S	.	.			trans	-111	139	170.4	0	0	0	0	0	109.4	V7 I16 G19 Y29	V7-A21 HydrophobicContact CG1-CB 4.29Å; I16-A21 HydrophobicContact CD1-CB 3.57Å; I16-A21 HydrophobicContact CG2-CB 4.02Å; G19-A21 PolarHBondContact O-N 3.13Å; A21-Y29 WeakPolarHBondContact CA-O 3.5Å
22	I	92.2	Very high	90.2	Very high	14 Å²	14	73.6 Å²	73.6	7%	0.072	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.5	164.2	-70.4	167.5	0	0	0	107.8	S28 Y29 L31 F34 E45	I22-S28 CarbonylContact O-C 3.57Å; I22-S28 VanDerWaalsContact O-CA 3.27Å; I22-S28 WeakPolarHBondContact O-CA 3.27Å; I22-Y29 PolarHBondContact N-O 2.87Å; I22-Y29 PolarHBondContact O-N 2.91Å; I22-L31 HydrophobicContact CD1-CD2 3.63Å; I22-L31 HydrophobicContact CG1-CD2 3.65Å; I22-F34 HydrophobicContact CB-CB 4.49Å; I22-F34 HydrophobicContact CB-CD2 4.24Å; I22-F34 HydrophobicContact CB-CG 4.21Å; I22-F34 HydrophobicContact CD1-CB 3.67Å; I22-F34 HydrophobicContact CD1-CD1 3.69Å; I22-F34 HydrophobicContact CD1-CE1 4.43Å; I22-F34 HydrophobicContact CD1-CG 3.74Å; I22-F34 HydrophobicContact CG2-CD1 4Å; I22-F34 HydrophobicContact CG2-CD2 3.66Å; I22-F34 HydrophobicContact CG2-CE1 3.92Å; I22-F34 HydrophobicContact CG2-CE2 3.6Å; I22-F34 HydrophobicContact CG2-CG 3.83Å; I22-F34 HydrophobicContact CG2-CZ 3.67Å; I22-E45 HydrophobicContact CG2-CB 4.29Å; I22-E45 HydrophobicContact CG2-CG 4.17Å
23	T	92.2	Very high	90.2	Very high	75 Å²	75	74 Å²	74	46%	0.46	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.9	173.5	-59.3	0	0	0	0	109.6	S27	T23-S27 CarbonylContact C-O 3.6Å; T23-S27 WeakPolarHBondContact CA-O 3.23Å
24	A	92.2	Very high	90.2	Very high	13 Å²	13	67.4 Å²	67.4	11%	0.107	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.1	177.2	0	0	0	0	0	110.2	G26 S27 Y29 F34	A24-G26 PolarHBondContact O-N 2.88Å; A24-G26 VanDerWaalsContact O-N 3.17Å; A24-S27 PolarHBondContact N-O 3.25Å; A24-S27 WeakPolarHBondContact O-CB 3.36Å; A24-S27 PolarHBondContact O-N 2.97Å; A24-S27 VanDerWaalsContact O-O 3.11Å; A24-Y29 HydrophobicContact CB-CE2 4.46Å; A24-F34 HydrophobicContact CB-CE2 3.51Å; A24-F34 HydrophobicContact CB-CZ 3.78Å
25	F	92.6	Very high	90.3	Very high	109 Å²	109	62 Å²	62	48%	0.478	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	38	178.6	-49.9	-74.9	0	0	0	113.8	S27 C48 K50 L55	F25-S27 PolarHBondContact O-N 3.34Å; F25-C48 WeakPolarHBondContact CE2-SG 3.48Å; F25-C48 WeakPolarHBondContact CZ-O 3.41Å; F25-K50 HydrophobicContact CB-CD 3.56Å; F25-K50 HydrophobicContact CD1-CB 4.07Å; F25-K50 HydrophobicContact CD1-CD 4.49Å; F25-K50 HydrophobicContact CD2-CB 3.54Å; F25-K50 HydrophobicContact CD2-CD 3.86Å; F25-K50 HydrophobicContact CD2-CG 4.28Å; F25-K50 HydrophobicContact CE1-CB 4.11Å; F25-K50 HydrophobicContact CE2-CB 3.54Å; F25-K50 HydrophobicContact CG-CB 3.8Å; F25-K50 HydrophobicContact CG-CD 3.73Å; F25-K50 HydrophobicContact CG-CG 4.43Å; F25-K50 HydrophobicContact CZ-CB 3.86Å; F25-L55 HydrophobicContact CD2-CD2 4.05Å; F25-L55 HydrophobicContact CE2-CD2 4.14Å
26	G	90.8	Very high	90.5	Very high	80 Å²	80	55.7 Å²	55.7	83%	0.825	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	7.9	-178.2	0	0	0	0	0	115.1	A24	A24-G26 PolarHBondContact O-N 2.88Å; A24-G26 VanDerWaalsContact O-N 3.17Å
27	S	92.8	Very high	90.7	Very high	24 Å²	24	59.6 Å²	59.6	17%	0.168	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.7	-179.3	-64.7	0	0	0	0	110.5	S10 T23 A24 F25 Y29	S10-S27 WeakPolarHBondContact OG-CB 3.23Å; T23-S27 CarbonylContact C-O 3.6Å; T23-S27 WeakPolarHBondContact CA-O 3.23Å; A24-S27 PolarHBondContact N-O 3.25Å; A24-S27 WeakPolarHBondContact O-CB 3.36Å; A24-S27 PolarHBondContact O-N 2.97Å; A24-S27 VanDerWaalsContact O-O 3.11Å; F25-S27 PolarHBondContact O-N 3.34Å; S27-Y29 WeakPolarHBondContact CB-OH 3.48Å; S27-Y29 WeakPolarHBondContact O-CE2 3.21Å
28	S	93.4	Very high	91.2	Very high	23 Å²	23	57 Å²	57	16%	0.161	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147.6	178.3	-60.9	0	0	0	0	111.5	V7 C9 S10 I22	V7-S28 VanDerWaalsContact CG1-OG 3.29Å; V7-S28 WeakPolarHBondContact CG1-OG 3.31Å; C9-S28 CarbonylContact C-O 3.48Å; C9-S28 VanDerWaalsContact CA-O 3.26Å; C9-S28 WeakPolarHBondContact CA-O 3.41Å; S10-S28 PolarHBondContact N-O 2.93Å; I22-S28 CarbonylContact O-C 3.57Å; I22-S28 VanDerWaalsContact O-CA 3.27Å; I22-S28 WeakPolarHBondContact O-CA 3.27Å
29	Y	94.1	Very high	92.3	Very high	11 Å²	11	55.2 Å²	55.2	4%	0.043	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.7	-174.6	-56.9	-94.9	0	0	0	111.5	I16 A21 I22 A24 S27 F34 L55	I16-Y29 VanDerWaalsContact CD1-C 3.45Å; A21-Y29 WeakPolarHBondContact CA-O 3.5Å; I22-Y29 PolarHBondContact N-O 2.87Å; I22-Y29 PolarHBondContact O-N 2.91Å; A24-Y29 HydrophobicContact CB-CE2 4.46Å; S27-Y29 WeakPolarHBondContact CB-OH 3.48Å; S27-Y29 WeakPolarHBondContact O-CE2 3.21Å; Y29-F34 AromaticContact CD2-CD2 3.74Å; Y29-F34 HydrophobicContact CD2-CD2 3.74Å; Y29-F34 HydrophobicContact CD2-CE2 4.07Å; Y29-F34 HydrophobicContact CE2-CD2 4.35Å; Y29-F34 HydrophobicContact CE2-CE2 4.34Å; Y29-F34 AromaticContact CG-CD2 3.87Å; Y29-F34 HydrophobicContact CG-CD2 3.87Å; Y29-L55 HydrophobicContact CD1-CD1 4.14Å; Y29-L55 HydrophobicContact CE1-CD1 3.77Å; Y29-L55 HydrophobicContact CE1-CG 4.47Å; Y29-L55 HydrophobicContact CE2-CD1 4.17Å; Y29-L55 HydrophobicContact CG-CD1 4.5Å
30	H	93.7	Very high	93.5	Very high	33 Å²	33	58.8 Å²	58.8	15%	0.153	31%	0.313	C	S	.	.			trans	-59.7	148	158.6	-64	127.6	0	0	0	109.1	C9 C12 E32 H33 F34	C9-H30 PolarHBondContact SG-N 3.39Å; C12-H30 VanDerWaalsContact SG-CE1 3.52Å; C12-H30 PolarHBondContact SG-ND1 3.35Å; C12-H30 VanDerWaalsContact SG-ND1 3.37Å; H30-E32 HydrophobicContact CB-CG 4.12Å; H30-E32 PolarHBondContact O-N 2.83Å; H30-H33 HydrophobicContact CB-CB 4.17Å; H30-H33 AromaticContact CG-ND1 3.78Å; H30-H33 AromaticContact ND1-CE1 3.52Å; H30-H33 AromaticContact ND1-ND1 3.17Å; H30-H33 PolarHBondContact ND1-ND1 2.92Å; H30-H33 VanDerWaalsContact ND1-ND1 3.17Å; H30-H33 CarbonylContact O-C 3.59Å; H30-H33 WeakPolarHBondContact O-CA 3.38Å; H30-H33 PolarHBondContact O-N 2.85Å; H30-F34 PolarHBondContact O-N 2.89Å; H30-F34 VanDerWaalsContact O-N 3.13Å
31	L	91.4	Very high	94.1	Very high	82 Å²	82	59.1 Å²	59.1	43%	0.429	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-54.9	-40.1	178.6	-60.6	174.7	0	0	0	112.3	Q20 I22 H33 F34 Q42	Q20-L31 HydrophobicContact CB-CD1 4.22Å; I22-L31 HydrophobicContact CD1-CD2 3.63Å; I22-L31 HydrophobicContact CG1-CD2 3.65Å; L31-H33 VanDerWaalsContact C-N 3.3Å; L31-H33 PolarHBondContact O-N 3.39Å; L31-F34 PolarHBondContact O-N 3.24Å; L31-Q42 PolarHBondContact O-NE2 3.44Å
32	E	92.7	Very high	94.3	Very high	130 Å²	130	63.1 Å²	63.1	61%	0.607	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-72.9	-18.9	176.9	64.3	-177.8	-174.7	0	0	114.3	H30 V35	H30-E32 HydrophobicContact CB-CG 4.12Å; H30-E32 PolarHBondContact O-N 2.83Å; E32-V35 VanDerWaalsContact O-CG1 3.3Å; E32-V35 WeakPolarHBondContact O-CG1 3.19Å
33	H	94.4	Very high	94.3	Very high	46 Å²	46	63.1 Å²	63.1	21%	0.213	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-96.2	-5.3	178	-65.5	153.2	0	0	0	113.4	C9 C12 H30 L31 V35	C9-H33 PolarHBondContact SG-ND1 3.08Å; C9-H33 VanDerWaalsContact SG-ND1 3.44Å; C12-H33 VanDerWaalsContact CB-CE1 3.4Å; C12-H33 WeakPolarHBondContact CB-CE1 3.2Å; C12-H33 PolarHBondContact SG-CE1 2.86Å; C12-H33 PolarHBondContact SG-ND1 2.99Å; C12-H33 VanDerWaalsContact SG-ND1 3.43Å; H30-H33 HydrophobicContact CB-CB 4.17Å; H30-H33 AromaticContact CG-ND1 3.78Å; H30-H33 AromaticContact ND1-CE1 3.52Å; H30-H33 AromaticContact ND1-ND1 3.17Å; H30-H33 PolarHBondContact ND1-ND1 2.92Å; H30-H33 VanDerWaalsContact ND1-ND1 3.17Å; H30-H33 CarbonylContact O-C 3.59Å; H30-H33 WeakPolarHBondContact O-CA 3.38Å; H30-H33 PolarHBondContact O-N 2.85Å; L31-H33 VanDerWaalsContact C-N 3.3Å; L31-H33 PolarHBondContact O-N 3.39Å; H33-V35 PolarHBondContact O-N 3.26Å
34	F	95.7	Very high	94.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.331	C	S	.	.			trans	-85.3	66.3	174.4	-161.2	-105.7	0	0	0	111.1	I22 A24 Y29 H30 L31 M43 C48 L55	I22-F34 HydrophobicContact CB-CB 4.49Å; I22-F34 HydrophobicContact CB-CD2 4.24Å; I22-F34 HydrophobicContact CB-CG 4.21Å; I22-F34 HydrophobicContact CD1-CB 3.67Å; I22-F34 HydrophobicContact CD1-CD1 3.69Å; I22-F34 HydrophobicContact CD1-CE1 4.43Å; I22-F34 HydrophobicContact CD1-CG 3.74Å; I22-F34 HydrophobicContact CG2-CD1 4Å; I22-F34 HydrophobicContact CG2-CD2 3.66Å; I22-F34 HydrophobicContact CG2-CE1 3.92Å; I22-F34 HydrophobicContact CG2-CE2 3.6Å; I22-F34 HydrophobicContact CG2-CG 3.83Å; I22-F34 HydrophobicContact CG2-CZ 3.67Å; A24-F34 HydrophobicContact CB-CE2 3.51Å; A24-F34 HydrophobicContact CB-CZ 3.78Å; Y29-F34 AromaticContact CD2-CD2 3.74Å; Y29-F34 HydrophobicContact CD2-CD2 3.74Å; Y29-F34 HydrophobicContact CD2-CE2 4.07Å; Y29-F34 HydrophobicContact CE2-CD2 4.35Å; Y29-F34 HydrophobicContact CE2-CE2 4.34Å; Y29-F34 AromaticContact CG-CD2 3.87Å; Y29-F34 HydrophobicContact CG-CD2 3.87Å; H30-F34 PolarHBondContact O-N 2.89Å; H30-F34 VanDerWaalsContact O-N 3.13Å; L31-F34 PolarHBondContact O-N 3.24Å; F34-M43 HydrophobicContact CD1-CB 4.01Å; F34-M43 VanDerWaalsContact CD1-O 3.24Å; F34-M43 WeakPolarHBondContact CD1-O 3.36Å; F34-M43 HydrophobicContact CE1-CB 3.97Å; F34-M43 HydrophobicContact CE1-CE 4.48Å; F34-M43 PolarHBondContact O-N 3.24Å; F34-M43 VanDerWaalsContact O-N 3.08Å; F34-C48 HydrophobicContact CE1-CB 4.23Å; F34-C48 HydrophobicContact CZ-CB 4.02Å; F34-C48 WeakPolarHBondContact CZ-SG 3.35Å; F34-L55 HydrophobicContact CD2-CD1 3.46Å; F34-L55 VanDerWaalsContact CD2-CD1 3.46Å; F34-L55 HydrophobicContact CE2-CD1 3.58Å; F34-L55 HydrophobicContact CG-CD1 4.34Å
35	V	96.4	Very high	93.7	Very high	16 Å²	16	69 Å²	69	10%	0.097	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-120.9	151	-171.8	-67.4	0	0	0	0	111.9	E32 H33 F37 R40 K41 Q42	E32-V35 VanDerWaalsContact O-CG1 3.3Å; E32-V35 WeakPolarHBondContact O-CG1 3.19Å; H33-V35 PolarHBondContact O-N 3.26Å; V35-F37 PolarHBondContact O-N 3.2Å; V35-R40 WeakPolarHBondContact CB-O 3.45Å; V35-R40 VanDerWaalsContact CG1-O 3.31Å; V35-R40 WeakPolarHBondContact CG1-O 3.4Å; V35-K41 CarbonylContact C-O 3.53Å; V35-K41 WeakPolarHBondContact CA-O 3.4Å; V35-Q42 HydrophobicContact CG1-CB 4.36Å; V35-Q42 HydrophobicContact CG1-CG 3.63Å
36	C	97.4	Very high	93.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.365	C	S	.	.			trans	-64.2	129.7	172.8	176.9	0	0	0	0	110.7	K38 R40 K41 M43 L55 C57	C36-K38 VanDerWaalsContact C-N 3.27Å; C36-K38 PolarHBondContact O-N 3.27Å; C36-K38 PolarHBondContact SG-N 3.41Å; C36-R40 WeakPolarHBondContact O-CA 3.18Å; C36-R40 PolarHBondContact O-N 3.11Å; C36-K41 PolarHBondContact N-O 2.87Å; C36-M43 HydrophobicContact CB-SD 4.2Å; C36-L55 CarbonylContact C-O 3.48Å; C36-L55 WeakPolarHBondContact CA-O 3.45Å; C36-C57 HydrophobicContact CB-CB 3.88Å; C36-C57 PolarHBondContact SG-N 3.5Å
37	F	96.3	Very high	93.2	Very high	99 Å²	99	65.9 Å²	65.9	43%	0.434	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-44.6	176.2	176.5	-97.7	0	0	0	112.6	V35 D54 L55 W56	V35-F37 PolarHBondContact O-N 3.2Å; F37-D54 HydrophobicContact CB-CB 3.8Å; F37-D54 HydrophobicContact CD1-CB 4.4Å; F37-D54 HydrophobicContact CD2-CB 3.83Å; F37-D54 WeakPolarHBondContact CD2-OD1 3.48Å; F37-D54 WeakPolarHBondContact CE2-OD1 3.28Å; F37-D54 HydrophobicContact CG-CB 3.75Å; F37-L55 WeakPolarHBondContact CB-O 3.5Å; F37-L55 PolarHBondContact N-O 2.81Å; F37-W56 HydrophobicContact CD1-CH2 4.03Å; F37-W56 AromaticContact CD1-CZ2 3.49Å; F37-W56 HydrophobicContact CD1-CZ2 3.49Å; F37-W56 VanDerWaalsContact CD1-CZ2 3.49Å; F37-W56 HydrophobicContact CE1-CZ2 4.12Å; F37-W56 HydrophobicContact CG-CZ2 4.34Å
38	K	96.6	Very high	93.3	Very high	95 Å²	95	65.3 Å²	65.3	41%	0.413	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-59.8	-178.4	-178.3	176.1	176.6	-173.4	0	113.2	C36 W56 C60 E63	C36-K38 VanDerWaalsContact C-N 3.27Å; C36-K38 PolarHBondContact O-N 3.27Å; C36-K38 PolarHBondContact SG-N 3.41Å; K38-W56 HydrophobicContact CB-CE3 4.17Å; K38-W56 HydrophobicContact CB-CH2 4.18Å; K38-W56 HydrophobicContact CB-CZ3 3.7Å; K38-W56 HydrophobicContact CD-CZ3 4.03Å; K38-W56 HydrophobicContact CG-CZ3 4.43Å; K38-C60 HydrophobicContact CB-CB 4.15Å; K38-C60 HydrophobicContact CD-CB 4.03Å; K38-E63 IonicContact NZ-OE1 2.72Å; K38-E63 PolarHBondContact NZ-OE1 3.42Å; K38-E63 IonicContact NZ-OE2 2.69Å; K38-E63 PolarHBondContact NZ-OE2 3.41Å
39	C	97.5	Very high	93.4	Very high	63 Å²	63	69.2 Å²	69.2	43%	0.426	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-1.8	-170.9	69.5	0	0	0	0	114.6	K41	C39-K41 PolarHBondContact O-N 3.09Å; C39-K41 VanDerWaalsContact SG-CB 3.53Å
40	R	96.4	Very high	93.4	Very high	150 Å²	150	72.1 Å²	72.1	57%	0.566	37%	0.366	S	S	*	.			trans	59.7	6.8	-178.4	-48.3	-52.9	-58.4	-157.4	-2.8	115.5	V35 C36 Q42	V35-R40 WeakPolarHBondContact CB-O 3.45Å; V35-R40 VanDerWaalsContact CG1-O 3.31Å; V35-R40 WeakPolarHBondContact CG1-O 3.4Å; C36-R40 WeakPolarHBondContact O-CA 3.18Å; C36-R40 PolarHBondContact O-N 3.11Å; R40-Q42 PolarHBondContact O-N 2.82Å
41	K	96.4	Very high	93.3	Very high	144 Å²	144	76.2 Å²	76.2	63%	0.626	38%	0.384	S	S	*	.			trans	-60.8	129.3	175.2	-175.3	178.6	177.9	178.2	0	110.4	V35 C36 C39	V35-K41 CarbonylContact C-O 3.53Å; V35-K41 WeakPolarHBondContact CA-O 3.4Å; C36-K41 PolarHBondContact N-O 2.87Å; C39-K41 PolarHBondContact O-N 3.09Å; C39-K41 VanDerWaalsContact SG-CB 3.53Å
42	Q	94.9	Very high	93.2	Very high	119 Å²	119	75.3 Å²	75.3	56%	0.556	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-63.5	139.1	168.9	-70.9	180	-67.1	0	0	110.4	L31 V35 R40	L31-Q42 PolarHBondContact O-NE2 3.44Å; V35-Q42 HydrophobicContact CG1-CB 4.36Å; V35-Q42 HydrophobicContact CG1-CG 3.63Å; R40-Q42 PolarHBondContact O-N 2.82Å
43	M	93.4	Very high	93	Very high	14 Å²	14	75.9 Å²	75.9	7%	0.069	40%	0.401	C	S	.	.			trans	-116.3	144.3	-177.1	-62.4	174.3	-63.7	0	0	109.6	F34 C36 C48 L55 C57	F34-M43 HydrophobicContact CD1-CB 4.01Å; F34-M43 VanDerWaalsContact CD1-O 3.24Å; F34-M43 WeakPolarHBondContact CD1-O 3.36Å; F34-M43 HydrophobicContact CE1-CB 3.97Å; F34-M43 HydrophobicContact CE1-CE 4.48Å; F34-M43 PolarHBondContact O-N 3.24Å; F34-M43 VanDerWaalsContact O-N 3.08Å; C36-M43 HydrophobicContact CB-SD 4.2Å; M43-C48 HydrophobicContact CE-CB 3.45Å; M43-C48 VanDerWaalsContact CE-CB 3.45Å; M43-C48 HydrophobicContact SD-CB 3.58Å; M43-C48 VanDerWaalsContact SD-CB 3.58Å; M43-L55 HydrophobicContact CE-CB 3.94Å; M43-C57 HydrophobicContact CG-CB 4.14Å; M43-C57 WeakPolarHBondContact SD-CA 3.48Å; M43-C57 HydrophobicContact SD-CB 3.54Å; M43-C57 VanDerWaalsContact SD-CB 3.54Å; M43-C57 PolarHBondContact SD-N 2.9Å
44	P	88	Confident	92.9	Very high	88 Å²	88	76.5 Å²	76.5	57%	0.571	41%	0.406	S	S	*	.			trans	-69.7	156.4	166	27.2	-28.2	0	0	0	109.9	S47	P44-S47 PolarHBondContact O-N 3.34Å; P44-S47 VanDerWaalsContact O-N 3.14Å
45	E	83.5	Confident	92.9	Very high	124 Å²	124	77 Å²	77	58%	0.579	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	141.2	173.6	-171.9	168.1	-161.5	0	0	110.7	I22 S47	I22-E45 HydrophobicContact CG2-CB 4.29Å; I22-E45 HydrophobicContact CG2-CG 4.17Å; E45-S47 PolarHBondContact O-N 3.05Å
46	G	85	Confident	93	Very high	71 Å²	71	77.5 Å²	77.5	73%	0.732	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-8.1	-176.6	0	0	0	0	0	116.3
47	S	88.2	Confident	93	Very high	52 Å²	52	78 Å²	78	36%	0.364	41%	0.412	S	S	.	.			trans	-102.5	26.9	-177.6	-63.8	0	0	0	0	114.5	P44 E45 P58	P44-S47 PolarHBondContact O-N 3.34Å; P44-S47 VanDerWaalsContact O-N 3.14Å; E45-S47 PolarHBondContact O-N 3.05Å; S47-P58 VanDerWaalsContact O-CD 3.31Å; S47-P58 WeakPolarHBondContact O-CD 3.31Å
48	C	94.7	Very high	92.9	Very high	12 Å²	12	76.4 Å²	76.4	8%	0.081	41%	0.412	C	S	.	.			trans	-127.7	159.6	-179.1	76.6	0	0	0	0	112.2	F25 F34 M43 W56	F25-C48 WeakPolarHBondContact CE2-SG 3.48Å; F25-C48 WeakPolarHBondContact CZ-O 3.41Å; F34-C48 HydrophobicContact CE1-CB 4.23Å; F34-C48 HydrophobicContact CZ-CB 4.02Å; F34-C48 WeakPolarHBondContact CZ-SG 3.35Å; M43-C48 HydrophobicContact CE-CB 3.45Å; M43-C48 VanDerWaalsContact CE-CB 3.45Å; M43-C48 HydrophobicContact SD-CB 3.58Å; M43-C48 VanDerWaalsContact SD-CB 3.58Å; C48-W56 CarbonylContact C-O 3.56Å; C48-W56 WeakPolarHBondContact CA-O 3.31Å
49	F	95.3	Very high	92.9	Very high	104 Å²	104	75.3 Å²	75.3	46%	0.456	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144	174.2	-63.7	-92.1	0	0	0	109.1	L55 W56 P58 I61	F49-L55 CarbonylContact O-C 3.48Å; F49-L55 WeakPolarHBondContact O-CA 3.33Å; F49-W56 PolarHBondContact N-O 3.34Å; F49-W56 PolarHBondContact O-N 3.27Å; F49-P58 HydrophobicContact CE2-CB 3.97Å; F49-P58 HydrophobicContact CE2-CG 3.96Å; F49-I61 HydrophobicContact CB-CG1 4.29Å; F49-I61 HydrophobicContact CB-CG2 4.4Å; F49-I61 HydrophobicContact CD2-CB 4.48Å; F49-I61 HydrophobicContact CD2-CG2 3.58Å; F49-I61 HydrophobicContact CE2-CG2 3.97Å; F49-I61 HydrophobicContact CG-CG2 3.98Å
50	K	93.7	Very high	92.8	Very high	72 Å²	72	72.8 Å²	72.8	31%	0.313	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.1	175.2	-173.2	168.5	-177.7	177.1	0	110.3	F25 G52 D54	F25-K50 HydrophobicContact CB-CD 3.56Å; F25-K50 HydrophobicContact CD1-CB 4.07Å; F25-K50 HydrophobicContact CD1-CD 4.49Å; F25-K50 HydrophobicContact CD2-CB 3.54Å; F25-K50 HydrophobicContact CD2-CD 3.86Å; F25-K50 HydrophobicContact CD2-CG 4.28Å; F25-K50 HydrophobicContact CE1-CB 4.11Å; F25-K50 HydrophobicContact CE2-CB 3.54Å; F25-K50 HydrophobicContact CG-CB 3.8Å; F25-K50 HydrophobicContact CG-CD 3.73Å; F25-K50 HydrophobicContact CG-CG 4.43Å; F25-K50 HydrophobicContact CZ-CB 3.86Å; K50-G52 WeakPolarHBondContact CE-O 3.31Å; K50-G52 VanDerWaalsContact CG-O 3.25Å; K50-G52 WeakPolarHBondContact CG-O 3.43Å; K50-D54 WeakPolarHBondContact CA-O 3.16Å
51	K	91.1	Very high	92.7	Very high	120 Å²	120	67.2 Å²	67.2	52%	0.522	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	106	171.7	-178.1	179.5	176.7	-178.6	0	108	N53 D54 I61	K51-N53 PolarHBondContact O-N 3.37Å; K51-D54 PolarHBondContact N-O 3.39Å; K51-D54 PolarHBondContact O-N 3.26Å; K51-D54 VanDerWaalsContact O-N 3.1Å; K51-I61 HydrophobicContact CD-CD1 4.49Å
52	G	89.2	Confident	92.5	Very high	62 Å²	62	64.4 Å²	64.4	64%	0.639	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	-117.9	-168.1	0	0	0	0	0	110.3	K50	K50-G52 WeakPolarHBondContact CE-O 3.31Å; K50-G52 VanDerWaalsContact CG-O 3.25Å; K50-G52 WeakPolarHBondContact CG-O 3.43Å
53	N	88.1	Confident	92.4	Very high	142 Å²	142	64.2 Å²	64.2	76%	0.759	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-5.9	175.9	-69.9	-30.5	0	0	0	113.7	K51	K51-N53 PolarHBondContact O-N 3.37Å
54	D	93.8	Very high	92.3	Very high	60 Å²	60	65.7 Å²	65.7	32%	0.321	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.1	-173.7	-63	-36.5	0	0	0	111.1	F37 K50 K51 W56	F37-D54 HydrophobicContact CB-CB 3.8Å; F37-D54 HydrophobicContact CD1-CB 4.4Å; F37-D54 HydrophobicContact CD2-CB 3.83Å; F37-D54 WeakPolarHBondContact CD2-OD1 3.48Å; F37-D54 WeakPolarHBondContact CE2-OD1 3.28Å; F37-D54 HydrophobicContact CG-CB 3.75Å; K50-D54 WeakPolarHBondContact CA-O 3.16Å; K51-D54 PolarHBondContact N-O 3.39Å; K51-D54 PolarHBondContact O-N 3.26Å; K51-D54 VanDerWaalsContact O-N 3.1Å; D54-W56 VanDerWaalsContact CB-NE1 3.33Å; D54-W56 VanDerWaalsContact O-CD1 3.32Å
55	L	95.8	Very high	92.5	Very high	10 Å²	10	66 Å²	66	5%	0.052	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.5	172.3	-60.9	177.6	0	0	0	110	F25 Y29 F34 C36 F37 M43 F49	F25-L55 HydrophobicContact CD2-CD2 4.05Å; F25-L55 HydrophobicContact CE2-CD2 4.14Å; Y29-L55 HydrophobicContact CD1-CD1 4.14Å; Y29-L55 HydrophobicContact CE1-CD1 3.77Å; Y29-L55 HydrophobicContact CE1-CG 4.47Å; Y29-L55 HydrophobicContact CE2-CD1 4.17Å; Y29-L55 HydrophobicContact CG-CD1 4.5Å; F34-L55 HydrophobicContact CD2-CD1 3.46Å; F34-L55 VanDerWaalsContact CD2-CD1 3.46Å; F34-L55 HydrophobicContact CE2-CD1 3.58Å; F34-L55 HydrophobicContact CG-CD1 4.34Å; C36-L55 CarbonylContact C-O 3.48Å; C36-L55 WeakPolarHBondContact CA-O 3.45Å; F37-L55 WeakPolarHBondContact CB-O 3.5Å; F37-L55 PolarHBondContact N-O 2.81Å; M43-L55 HydrophobicContact CE-CB 3.94Å; F49-L55 CarbonylContact O-C 3.48Å; F49-L55 WeakPolarHBondContact O-CA 3.33Å
56	W	97.6	Very high	93	Very high	27 Å²	27	66.7 Å²	66.7	10%	0.102	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.2	-176.4	-68.1	72.6	0	0	0	110.6	F37 K38 C48 F49 D54 C60 I61 A64	F37-W56 HydrophobicContact CD1-CH2 4.03Å; F37-W56 AromaticContact CD1-CZ2 3.49Å; F37-W56 HydrophobicContact CD1-CZ2 3.49Å; F37-W56 VanDerWaalsContact CD1-CZ2 3.49Å; F37-W56 HydrophobicContact CE1-CZ2 4.12Å; F37-W56 HydrophobicContact CG-CZ2 4.34Å; K38-W56 HydrophobicContact CB-CE3 4.17Å; K38-W56 HydrophobicContact CB-CH2 4.18Å; K38-W56 HydrophobicContact CB-CZ3 3.7Å; K38-W56 HydrophobicContact CD-CZ3 4.03Å; K38-W56 HydrophobicContact CG-CZ3 4.43Å; C48-W56 CarbonylContact C-O 3.56Å; C48-W56 WeakPolarHBondContact CA-O 3.31Å; F49-W56 PolarHBondContact N-O 3.34Å; F49-W56 PolarHBondContact O-N 3.27Å; D54-W56 VanDerWaalsContact CB-NE1 3.33Å; D54-W56 VanDerWaalsContact O-CD1 3.32Å; W56-C60 HydrophobicContact CE3-CB 3.91Å; W56-C60 HydrophobicContact CZ3-CB 4.34Å; W56-I61 HydrophobicContact CB-CB 4.03Å; W56-I61 HydrophobicContact CB-CD1 4.13Å; W56-I61 HydrophobicContact CD2-CD1 4.3Å; W56-I61 HydrophobicContact CG-CD1 4.09Å; W56-A64 HydrophobicContact CZ3-CB 4.25Å
57	C	97.1	Very high	93.5	Very high	9 Å²	9	68.9 Å²	68.9	6%	0.061	37%	0.372	C	S	.	.			trans	-78.1	159.8	171.2	73.7	0	0	0	0	110.9	C36 M43 A59 C60 I61	C36-C57 HydrophobicContact CB-CB 3.88Å; C36-C57 PolarHBondContact SG-N 3.5Å; M43-C57 HydrophobicContact CG-CB 4.14Å; M43-C57 WeakPolarHBondContact SD-CA 3.48Å; M43-C57 HydrophobicContact SD-CB 3.54Å; M43-C57 VanDerWaalsContact SD-CB 3.54Å; M43-C57 PolarHBondContact SD-N 2.9Å; C57-A59 VanDerWaalsContact C-N 3.27Å; C57-A59 PolarHBondContact O-N 3Å; C57-C60 PolarHBondContact O-N 3.29Å; C57-C60 PolarHBondContact SG-N 2.88Å; C57-I61 WeakPolarHBondContact O-CG2 3.39Å; C57-I61 PolarHBondContact O-N 3.5Å
58	P	94.9	Very high	93.9	Very high	67 Å²	67	66.5 Å²	66.5	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-56.7	-39.2	-177	-24.8	33.9	0	0	0	113.2	S47 F49 I61 E62	S47-P58 VanDerWaalsContact O-CD 3.31Å; S47-P58 WeakPolarHBondContact O-CD 3.31Å; F49-P58 HydrophobicContact CE2-CB 3.97Å; F49-P58 HydrophobicContact CE2-CG 3.96Å; P58-I61 WeakPolarHBondContact O-CG2 3.4Å; P58-E62 VanDerWaalsContact O-CB 3.28Å; P58-E62 WeakPolarHBondContact O-CB 3.07Å; P58-E62 PolarHBondContact O-N 2.94Å; P58-E62 VanDerWaalsContact O-N 3.14Å
59	A	95.4	Very high	94	Very high	71 Å²	71	66.7 Å²	66.7	59%	0.587	36%	0.357	S	S	*	.	H	α-helix	trans	-66.7	-46.8	179.4	0	0	0	0	0	112.5	C57 E62 E63	C57-A59 VanDerWaalsContact C-N 3.27Å; C57-A59 PolarHBondContact O-N 3Å; A59-E62 PolarHBondContact O-N 3.12Å; A59-E63 WeakPolarHBondContact O-CB 3.34Å; A59-E63 PolarHBondContact O-N 2.89Å
60	C	96.9	Very high	93.9	Very high	10 Å²	10	63.7 Å²	63.7	7%	0.068	36%	0.355	C	S	.	.	H	α-helix	trans	-73.1	-34.5	-177	-73.7	0	0	0	0	112.7	K38 W56 C57 A64	K38-C60 HydrophobicContact CB-CB 4.15Å; K38-C60 HydrophobicContact CD-CB 4.03Å; W56-C60 HydrophobicContact CE3-CB 3.91Å; W56-C60 HydrophobicContact CZ3-CB 4.34Å; C57-C60 PolarHBondContact O-N 3.29Å; C57-C60 PolarHBondContact SG-N 2.88Å; C60-A64 VanDerWaalsContact O-CB 3.31Å; C60-A64 WeakPolarHBondContact O-CB 3.11Å; C60-A64 PolarHBondContact O-N 3.14Å; C60-A64 VanDerWaalsContact O-N 3.07Å
61	I	93.8	Very high	94	Very high	33 Å²	33	62.2 Å²	62.2	17%	0.169	35%	0.354	C	S	.	.	H	α-helix	trans	-68.8	-38.6	175.1	-164.1	68.4	0	0	0	110.9	F49 K51 W56 C57 P58 A64 K65	F49-I61 HydrophobicContact CB-CG1 4.29Å; F49-I61 HydrophobicContact CB-CG2 4.4Å; F49-I61 HydrophobicContact CD2-CB 4.48Å; F49-I61 HydrophobicContact CD2-CG2 3.58Å; F49-I61 HydrophobicContact CE2-CG2 3.97Å; F49-I61 HydrophobicContact CG-CG2 3.98Å; K51-I61 HydrophobicContact CD-CD1 4.49Å; W56-I61 HydrophobicContact CB-CB 4.03Å; W56-I61 HydrophobicContact CB-CD1 4.13Å; W56-I61 HydrophobicContact CD2-CD1 4.3Å; W56-I61 HydrophobicContact CG-CD1 4.09Å; C57-I61 WeakPolarHBondContact O-CG2 3.39Å; C57-I61 PolarHBondContact O-N 3.5Å; P58-I61 WeakPolarHBondContact O-CG2 3.4Å; I61-A64 PolarHBondContact O-N 2.98Å; I61-K65 WeakPolarHBondContact O-CG 3.4Å; I61-K65 PolarHBondContact O-N 3.09Å
62	E	92.4	Very high	94.2	Very high	85 Å²	85	63.3 Å²	63.3	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-45.6	176.1	-171.1	62.8	-142.7	0	0	111.2	P58 A59 A64 K65	P58-E62 VanDerWaalsContact O-CB 3.28Å; P58-E62 WeakPolarHBondContact O-CB 3.07Å; P58-E62 PolarHBondContact O-N 2.94Å; P58-E62 VanDerWaalsContact O-N 3.14Å; A59-E62 PolarHBondContact O-N 3.12Å; E62-A64 VanDerWaalsContact C-N 3.25Å; E62-A64 PolarHBondContact O-N 3.49Å; E62-K65 WeakPolarHBondContact O-CB 3.32Å; E62-K65 PolarHBondContact O-N 3.04Å; E62-K65 VanDerWaalsContact O-N 3.14Å; E62-K65 WeakPolarHBondContact OE1-CD 3.33Å; E62-K65 IonicContact OE1-NZ 3.41Å; E62-K65 PolarHBondContact OE1-NZ 3.37Å; E62-K65 WeakPolarHBondContact OE2-CE 3.37Å; E62-K65 IonicContact OE2-NZ 2.62Å; E62-K65 PolarHBondContact OE2-NZ 2.86Å
63	E	92.9	Very high	94.5	Very high	116 Å²	116	67.1 Å²	67.1	54%	0.542	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-35.6	176.7	-166	-163.6	149.2	0	0	112.2	K38 A59 K65	K38-E63 IonicContact NZ-OE1 2.72Å; K38-E63 PolarHBondContact NZ-OE1 3.42Å; K38-E63 IonicContact NZ-OE2 2.69Å; K38-E63 PolarHBondContact NZ-OE2 3.41Å; A59-E63 WeakPolarHBondContact O-CB 3.34Å; A59-E63 PolarHBondContact O-N 2.89Å; E63-K65 VanDerWaalsContact C-N 3.27Å; E63-K65 PolarHBondContact O-N 3.14Å
64	A	91.8	Very high	94.7	Very high	44 Å²	44	62.6 Å²	62.6	36%	0.364	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.7	179.1	0	0	0	0	0	114	W56 C60 I61 E62 Q66	W56-A64 HydrophobicContact CZ3-CB 4.25Å; C60-A64 VanDerWaalsContact O-CB 3.31Å; C60-A64 WeakPolarHBondContact O-CB 3.11Å; C60-A64 PolarHBondContact O-N 3.14Å; C60-A64 VanDerWaalsContact O-N 3.07Å; I61-A64 PolarHBondContact O-N 2.98Å; E62-A64 VanDerWaalsContact C-N 3.25Å; E62-A64 PolarHBondContact O-N 3.49Å; A64-Q66 PolarHBondContact O-N 2.69Å
65	K	91.8	Very high	94.7	Very high	96 Å²	96	61.3 Å²	61.3	42%	0.417	33%	0.325	S	S	.	.	S	Bend	trans	-63.3	137.1	176.8	-70.2	-178	-179.1	172.4	0	110.5	I61 E62 E63 K67 P74	I61-K65 WeakPolarHBondContact O-CG 3.4Å; I61-K65 PolarHBondContact O-N 3.09Å; E62-K65 WeakPolarHBondContact O-CB 3.32Å; E62-K65 PolarHBondContact O-N 3.04Å; E62-K65 VanDerWaalsContact O-N 3.14Å; E62-K65 WeakPolarHBondContact OE1-CD 3.33Å; E62-K65 IonicContact OE1-NZ 3.41Å; E62-K65 PolarHBondContact OE1-NZ 3.37Å; E62-K65 WeakPolarHBondContact OE2-CE 3.37Å; E62-K65 IonicContact OE2-NZ 2.62Å; E62-K65 PolarHBondContact OE2-NZ 2.86Å; E63-K65 VanDerWaalsContact C-N 3.27Å; E63-K65 PolarHBondContact O-N 3.14Å; K65-K67 PolarHBondContact O-N 3.02Å; K65-P74 HydrophobicContact CB-CB 4.17Å; K65-P74 HydrophobicContact CD-CB 4.09Å
66	Q	93.4	Very high	94.2	Very high	137 Å²	137	66 Å²	66	64%	0.64	35%	0.35	S	S	*	.			trans	-64.4	137.1	172.5	-66	-178.9	-58.3	0	0	109.8	A64 L75 L86	A64-Q66 PolarHBondContact O-N 2.69Å; Q66-L75 HydrophobicContact CB-CD1 3.96Å; Q66-L75 PolarHBondContact O-N 2.72Å; Q66-L86 HydrophobicContact CB-CD1 4.01Å; Q66-L86 HydrophobicContact CG-CD1 4.25Å
67	K	95.9	Very high	93.2	Very high	118 Å²	118	74.4 Å²	74.4	51%	0.513	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-109.6	142.9	-175.4	-65.9	174.4	-179	-179.9	0	110.4	K65 A69 K72 R73	K65-K67 PolarHBondContact O-N 3.02Å; K67-A69 PolarHBondContact O-N 3.46Å; K67-K72 WeakPolarHBondContact CD-O 3.22Å; K67-R73 WeakPolarHBondContact CA-O 3.13Å
68	C	96.7	Very high	92.7	Very high	1 Å²	1	81.6 Å²	81.6	1%	0.007	42%	0.421	C	S	.	.			trans	-60.9	129.1	173.9	173.7	0	0	0	0	110.5	G70 K72 R73 L75 L86 H88 C91	C68-G70 PolarHBondContact O-N 3.29Å; C68-G70 PolarHBondContact SG-N 3.34Å; C68-G70 VanDerWaalsContact SG-N 3.37Å; C68-K72 WeakPolarHBondContact O-CA 3.48Å; C68-K72 PolarHBondContact O-N 3Å; C68-R73 PolarHBondContact N-O 3.46Å; C68-L75 HydrophobicContact CB-CD2 3.78Å; C68-L75 HydrophobicContact CB-CG 4.4Å; C68-L86 CarbonylContact C-O 3.52Å; C68-L86 WeakPolarHBondContact CA-O 3.49Å; C68-H88 VanDerWaalsContact CB-CE1 3.48Å; C68-H88 WeakPolarHBondContact CB-CE1 3.43Å; C68-H88 WeakPolarHBondContact CB-ND1 3.47Å; C68-H88 PolarHBondContact SG-N 3.47Å; C68-H88 PolarHBondContact SG-ND1 3.21Å; C68-C91 VanDerWaalsContact SG-CB 3.55Å
69	A	95.5	Very high	92.6	Very high	17 Å²	17	80.5 Å²	80.5	14%	0.14	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.4	178	0	0	0	0	0	113.2	K67 K72 K85 L86 W87	K67-A69 PolarHBondContact O-N 3.46Å; A69-K72 WeakPolarHBondContact O-CE 3.25Å; A69-K72 PolarHBondContact O-NZ 3.34Å; A69-K85 HydrophobicContact CB-CB 3.77Å; A69-K85 HydrophobicContact CB-CD 3.98Å; A69-K85 HydrophobicContact CB-CG 4.34Å; A69-L86 PolarHBondContact N-O 3.07Å; A69-W87 HydrophobicContact CB-CD2 3.81Å; A69-W87 HydrophobicContact CB-CE3 3.97Å; A69-W87 HydrophobicContact CB-CH2 3.78Å; A69-W87 HydrophobicContact CB-CZ2 3.6Å; A69-W87 HydrophobicContact CB-CZ3 3.96Å
70	G	95	Very high	92.5	Very high	40 Å²	40	79.1 Å²	79.1	41%	0.412	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-64.1	176	0	0	0	0	0	113.1	C68 W87	C68-G70 PolarHBondContact O-N 3.29Å; C68-G70 PolarHBondContact SG-N 3.34Å; C68-G70 VanDerWaalsContact SG-N 3.37Å; G70-W87 VanDerWaalsContact N-CE3 3.35Å
71	C	95.7	Very high	92.3	Very high	41 Å²	41	81.3 Å²	81.3	28%	0.277	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-4.4	-172.3	73.2	0	0	0	0	115.2	R73 H88	C71-R73 PolarHBondContact O-N 2.62Å; C71-R73 PolarHBondContact SG-NE 3.14Å; C71-H88 PolarHBondContact SG-CE1 3.28Å; C71-H88 PolarHBondContact SG-ND1 3.23Å
72	K	95.3	Very high	92.3	Very high	143 Å²	143	80.3 Å²	80.3	62%	0.622	42%	0.421	S	S	*	.			trans	61.3	7.6	-177.7	-48.3	-53.4	-174.5	-168.2	0	115.9	K67 C68 A69	K67-K72 WeakPolarHBondContact CD-O 3.22Å; C68-K72 WeakPolarHBondContact O-CA 3.48Å; C68-K72 PolarHBondContact O-N 3Å; A69-K72 WeakPolarHBondContact O-CE 3.25Å; A69-K72 PolarHBondContact O-NZ 3.34Å
73	R	94.6	Very high	92.3	Very high	142 Å²	142	78.3 Å²	78.3	54%	0.536	41%	0.413	S	S	.	.	S	Bend	trans	-85.9	155.2	173.2	-58.7	178.1	-64.3	176.7	4.7	110.9	K67 C68 C71 E90	K67-R73 WeakPolarHBondContact CA-O 3.13Å; C68-R73 PolarHBondContact N-O 3.46Å; C71-R73 PolarHBondContact O-N 2.62Å; C71-R73 PolarHBondContact SG-NE 3.14Å; R73-E90 IonicContact NH2-OE1 3.94Å
74	P	92.8	Very high	92.3	Very high	47 Å²	47	77.1 Å²	77.1	31%	0.305	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-52.1	144.8	173.7	-26.5	35.2	0	0	0	112.7	K65 H88	K65-P74 HydrophobicContact CB-CB 4.17Å; K65-P74 HydrophobicContact CD-CB 4.09Å; P74-H88 PolarHBondContact O-CE1 2.95Å; P74-H88 PolarHBondContact O-NE2 3.1Å
75	L	94.4	Very high	92.5	Very high	34 Å²	34	79.9 Å²	79.9	18%	0.178	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-76.8	146.2	175.4	-67.9	158.2	0	0	0	110.8	Q66 C68 A79 L86 W87	Q66-L75 HydrophobicContact CB-CD1 3.96Å; Q66-L75 PolarHBondContact O-N 2.72Å; C68-L75 HydrophobicContact CB-CD2 3.78Å; C68-L75 HydrophobicContact CB-CG 4.4Å; L75-A79 HydrophobicContact CB-CB 4.4Å; L75-A79 HydrophobicContact CD1-CB 4.01Å; L75-A79 HydrophobicContact CD2-CB 3.89Å; L75-A79 HydrophobicContact CG-CB 4.32Å; L75-L86 HydrophobicContact CD1-CB 3.33Å; L75-L86 HydrophobicContact CD1-CD1 3.71Å; L75-L86 HydrophobicContact CD1-CG 4.16Å; L75-W87 VanDerWaalsContact CD2-C 3.48Å
76	N	83.7	Confident	92.7	Very high	108 Å²	108	77.6 Å²	77.6	58%	0.578	43%	0.427	S	S	*	.			trans	-86.8	-175.5	165.5	55.1	7.4	0	0	0	109.7	K78	N76-K78 PolarHBondContact O-N 2.97Å; N76-K78 VanDerWaalsContact O-N 3.09Å; N76-K78 PolarHBondContact OD1-O 3.39Å
77	E	77.7	Confident	92.8	Very high	204 Å²	204	72 Å²	72	95%	0.953	40%	0.4	S	S	*	.	S	Bend	trans	-57	-28.7	-172.8	-66.8	175.5	102.1	0	0	114.5
78	K	86.9	Confident	92.7	Very high	160 Å²	160	67 Å²	67	70%	0.696	38%	0.379	S	S	*	.			trans	-108.4	107.7	179	-65.1	-174.6	-178.6	-178.6	0	111	N76	N76-K78 PolarHBondContact O-N 2.97Å; N76-K78 VanDerWaalsContact O-N 3.09Å; N76-K78 PolarHBondContact OD1-O 3.39Å
79	A	92.3	Very high	92.5	Very high	44 Å²	44	70.8 Å²	70.8	36%	0.364	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.1	174.2	0	0	0	0	0	111.4	L75 L86 W87	L75-A79 HydrophobicContact CB-CB 4.4Å; L75-A79 HydrophobicContact CD1-CB 4.01Å; L75-A79 HydrophobicContact CD2-CB 3.89Å; L75-A79 HydrophobicContact CG-CB 4.32Å; A79-L86 HydrophobicContact CB-CD2 4.38Å; A79-W87 WeakPolarHBondContact CA-O 3.24Å
80	L	93.1	Very high	92.4	Very high	41 Å²	41	75.5 Å²	75.5	22%	0.215	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.1	171.2	177.6	68.8	0	0	0	109.8	A82 L86 W87 L89 F92	L80-A82 HydrophobicContact CG-CB 4.45Å; L80-L86 CarbonylContact O-C 3.59Å; L80-L86 WeakPolarHBondContact O-CA 3.3Å; L80-W87 HydrophobicContact CB-CB 4.48Å; L80-W87 PolarHBondContact N-O 3.38Å; L80-W87 PolarHBondContact O-N 2.7Å; L80-L89 HydrophobicContact CB-CD2 3.82Å; L80-F92 HydrophobicContact CD2-CB 3.72Å; L80-F92 HydrophobicContact CD2-CD1 3.3Å; L80-F92 HydrophobicContact CD2-CD2 4.3Å; L80-F92 HydrophobicContact CD2-CE1 3.96Å; L80-F92 HydrophobicContact CD2-CG 3.5Å
81	G	92.6	Very high	92.5	Very high	57 Å²	57	75 Å²	75	59%	0.588	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	117	167.5	0	0	0	0	0	111
82	A	93.6	Very high	92.5	Very high	11 Å²	11	73 Å²	73	9%	0.091	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	145.4	176	0	0	0	0	0	110.6	L80 G84 K85 W87 F92 F106	L80-A82 HydrophobicContact CG-CB 4.45Å; A82-G84 VanDerWaalsContact C-N 3.25Å; A82-G84 PolarHBondContact O-N 3.48Å; A82-K85 PolarHBondContact N-O 2.91Å; A82-K85 CarbonylContact O-C 3.55Å; A82-K85 PolarHBondContact O-N 2.78Å; A82-W87 PolarHBondContact O-NE1 3.14Å; A82-F92 HydrophobicContact CB-CD2 4.2Å; A82-F92 HydrophobicContact CB-CE1 4.16Å; A82-F92 HydrophobicContact CB-CE2 3.5Å; A82-F92 VanDerWaalsContact CB-CE2 3.5Å; A82-F92 HydrophobicContact CB-CZ 3.47Å; A82-F92 VanDerWaalsContact CB-CZ 3.47Å; A82-F106 HydrophobicContact CB-CZ 4.15Å
83	L	93.4	Very high	92.5	Very high	44 Å²	44	67.2 Å²	67.2	23%	0.23	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	38.5	179.5	-54.6	172.9	0	0	0	113.1	K85 W87 F92 F106 A108 Q113	L83-K85 PolarHBondContact O-N 3.27Å; L83-K85 VanDerWaalsContact O-N 3.09Å; L83-W87 HydrophobicContact CD1-CZ2 4.23Å; L83-F92 HydrophobicContact CD1-CE2 4.36Å; L83-F106 HydrophobicContact CD2-CE2 4.03Å; L83-F106 HydrophobicContact CG-CE2 4.32Å; L83-A108 HydrophobicContact CD2-CB 3.53Å; L83-Q113 HydrophobicContact CD1-CB 4.15Å
84	G	92.9	Very high	92.6	Very high	91 Å²	91	60.5 Å²	60.5	94%	0.938	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	11.8	-176.6	0	0	0	0	0	114.7	A82	A82-G84 VanDerWaalsContact C-N 3.25Å; A82-G84 PolarHBondContact O-N 3.48Å
85	K	95.4	Very high	92.8	Very high	101 Å²	101	60.5 Å²	60.5	44%	0.439	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	164.2	-173.8	-66.8	168.1	-171.7	159.5	0	110.4	A69 A82 L83 W87 E111	A69-K85 HydrophobicContact CB-CB 3.77Å; A69-K85 HydrophobicContact CB-CD 3.98Å; A69-K85 HydrophobicContact CB-CG 4.34Å; A82-K85 PolarHBondContact N-O 2.91Å; A82-K85 CarbonylContact O-C 3.55Å; A82-K85 PolarHBondContact O-N 2.78Å; L83-K85 PolarHBondContact O-N 3.27Å; L83-K85 VanDerWaalsContact O-N 3.09Å; K85-W87 PolarHBondContact O-NE1 2.85Å; K85-E111 IonicContact NZ-OE1 3.95Å
86	L	95.1	Very high	92.8	Very high	48 Å²	48	65.2 Å²	65.2	25%	0.251	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.1	176.6	-66.6	174.2	0	0	0	111.5	Q66 C68 A69 L75 A79 L80	Q66-L86 HydrophobicContact CB-CD1 4.01Å; Q66-L86 HydrophobicContact CG-CD1 4.25Å; C68-L86 CarbonylContact C-O 3.52Å; C68-L86 WeakPolarHBondContact CA-O 3.49Å; A69-L86 PolarHBondContact N-O 3.07Å; L75-L86 HydrophobicContact CD1-CB 3.33Å; L75-L86 HydrophobicContact CD1-CD1 3.71Å; L75-L86 HydrophobicContact CD1-CG 4.16Å; A79-L86 HydrophobicContact CB-CD2 4.38Å; L80-L86 CarbonylContact O-C 3.59Å; L80-L86 WeakPolarHBondContact O-CA 3.3Å
87	W	95.8	Very high	93.4	Very high	20 Å²	20	63.2 Å²	63.2	8%	0.076	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.8	-173.7	-53.5	79.5	0	0	0	110.7	A69 G70 L75 A79 L80 A82 L83 K85 F92	A69-W87 HydrophobicContact CB-CD2 3.81Å; A69-W87 HydrophobicContact CB-CE3 3.97Å; A69-W87 HydrophobicContact CB-CH2 3.78Å; A69-W87 HydrophobicContact CB-CZ2 3.6Å; A69-W87 HydrophobicContact CB-CZ3 3.96Å; G70-W87 VanDerWaalsContact N-CE3 3.35Å; L75-W87 VanDerWaalsContact CD2-C 3.48Å; A79-W87 WeakPolarHBondContact CA-O 3.24Å; L80-W87 HydrophobicContact CB-CB 4.48Å; L80-W87 PolarHBondContact N-O 3.38Å; L80-W87 PolarHBondContact O-N 2.7Å; A82-W87 PolarHBondContact O-NE1 3.14Å; L83-W87 HydrophobicContact CD1-CZ2 4.23Å; K85-W87 PolarHBondContact O-NE1 2.85Å; W87-F92 HydrophobicContact CB-CB 4.1Å; W87-F92 HydrophobicContact CB-CD2 4.33Å; W87-F92 AromaticContact CD1-CD2 3.95Å; W87-F92 AromaticContact CD2-CD2 3.6Å; W87-F92 HydrophobicContact CD2-CD2 3.6Å; W87-F92 HydrophobicContact CD2-CE2 4.28Å; W87-F92 AromaticContact CE2-CD2 3.81Å; W87-F92 AromaticContact CE3-CD2 3.99Å; W87-F92 HydrophobicContact CE3-CD2 3.99Å; W87-F92 HydrophobicContact CG-CB 4.4Å; W87-F92 AromaticContact CG-CD2 3.73Å; W87-F92 HydrophobicContact CG-CD2 3.73Å; W87-F92 HydrophobicContact CG-CG 4.44Å; W87-F92 HydrophobicContact CZ2-CD2 4.4Å; W87-F92 HydrophobicContact CZ2-CE2 4.36Å
88	H	95	Very high	94.2	Very high	14 Å²	14	60.2 Å²	60.2	7%	0.065	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	142.8	157.2	-61.8	112.4	0	0	0	108.3	C68 C71 P74 E90 C91 F92	C68-H88 VanDerWaalsContact CB-CE1 3.48Å; C68-H88 WeakPolarHBondContact CB-CE1 3.43Å; C68-H88 WeakPolarHBondContact CB-ND1 3.47Å; C68-H88 PolarHBondContact SG-N 3.47Å; C68-H88 PolarHBondContact SG-ND1 3.21Å; C71-H88 PolarHBondContact SG-CE1 3.28Å; C71-H88 PolarHBondContact SG-ND1 3.23Å; P74-H88 PolarHBondContact O-CE1 2.95Å; P74-H88 PolarHBondContact O-NE2 3.1Å; H88-E90 HydrophobicContact CB-CG 4.02Å; H88-E90 PolarHBondContact O-N 2.75Å; H88-E90 VanDerWaalsContact O-N 3.12Å; H88-C91 HydrophobicContact CB-CB 4.03Å; H88-C91 PolarHBondContact O-N 3.23Å; H88-F92 PolarHBondContact O-N 3.08Å
89	L	92.5	Very high	94.6	Very high	80 Å²	80	58.4 Å²	58.4	42%	0.419	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.1	178.7	-55.9	-175.3	0	0	0	112.1	L80	L80-L89 HydrophobicContact CB-CD2 3.82Å
90	E	93.3	Very high	94.7	Very high	115 Å²	115	60.2 Å²	60.2	54%	0.537	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-21.7	178.6	66.6	-177.3	-161.4	0	0	114.5	R73 H88 C93	R73-E90 IonicContact NH2-OE1 3.94Å; H88-E90 HydrophobicContact CB-CG 4.02Å; H88-E90 PolarHBondContact O-N 2.75Å; H88-E90 VanDerWaalsContact O-N 3.12Å; E90-C93 PolarHBondContact O-SG 2.92Å
91	C	95.6	Very high	94.8	Very high	29 Å²	29	58.7 Å²	58.7	20%	0.196	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-17.4	-178.3	-73.5	0	0	0	0	112.5	C68 H88 C93	C68-C91 VanDerWaalsContact SG-CB 3.55Å; H88-C91 HydrophobicContact CB-CB 4.03Å; H88-C91 PolarHBondContact O-N 3.23Å; C91-C93 VanDerWaalsContact C-N 3.3Å; C91-C93 PolarHBondContact O-N 3.22Å
92	F	96	Very high	94.2	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	32%	0.319	C	S	.	.			trans	-82	79.9	179.1	-163.7	-110.9	0	0	0	110.7	L80 A82 L83 W87 H88 L101 F106 Q113	L80-F92 HydrophobicContact CD2-CB 3.72Å; L80-F92 HydrophobicContact CD2-CD1 3.3Å; L80-F92 HydrophobicContact CD2-CD2 4.3Å; L80-F92 HydrophobicContact CD2-CE1 3.96Å; L80-F92 HydrophobicContact CD2-CG 3.5Å; A82-F92 HydrophobicContact CB-CD2 4.2Å; A82-F92 HydrophobicContact CB-CE1 4.16Å; A82-F92 HydrophobicContact CB-CE2 3.5Å; A82-F92 VanDerWaalsContact CB-CE2 3.5Å; A82-F92 HydrophobicContact CB-CZ 3.47Å; A82-F92 VanDerWaalsContact CB-CZ 3.47Å; L83-F92 HydrophobicContact CD1-CE2 4.36Å; W87-F92 HydrophobicContact CB-CB 4.1Å; W87-F92 HydrophobicContact CB-CD2 4.33Å; W87-F92 AromaticContact CD1-CD2 3.95Å; W87-F92 AromaticContact CD2-CD2 3.6Å; W87-F92 HydrophobicContact CD2-CD2 3.6Å; W87-F92 HydrophobicContact CD2-CE2 4.28Å; W87-F92 AromaticContact CE2-CD2 3.81Å; W87-F92 AromaticContact CE3-CD2 3.99Å; W87-F92 HydrophobicContact CE3-CD2 3.99Å; W87-F92 HydrophobicContact CG-CB 4.4Å; W87-F92 AromaticContact CG-CD2 3.73Å; W87-F92 HydrophobicContact CG-CD2 3.73Å; W87-F92 HydrophobicContact CG-CG 4.44Å; W87-F92 HydrophobicContact CZ2-CD2 4.4Å; W87-F92 HydrophobicContact CZ2-CE2 4.36Å; H88-F92 PolarHBondContact O-N 3.08Å; F92-L101 HydrophobicContact CD1-CB 3.68Å; F92-L101 HydrophobicContact CE1-CB 3.8Å; F92-L101 HydrophobicContact CE1-CD1 4.22Å; F92-L101 PolarHBondContact O-N 3.32Å; F92-F106 AromaticContact CE1-CD1 3.6Å; F92-F106 HydrophobicContact CE1-CD1 3.6Å; F92-F106 HydrophobicContact CE1-CD2 4.49Å; F92-F106 AromaticContact CE1-CE1 3.74Å; F92-F106 HydrophobicContact CE1-CE1 3.74Å; F92-F106 HydrophobicContact CE1-CG 4.02Å; F92-F106 HydrophobicContact CE1-CZ 4.25Å; F92-F106 AromaticContact CZ-CD1 3.87Å; F92-F106 HydrophobicContact CZ-CD1 3.87Å; F92-F106 HydrophobicContact CZ-CD2 4.03Å; F92-F106 AromaticContact CZ-CE1 3.74Å; F92-F106 HydrophobicContact CZ-CE1 3.74Å; F92-F106 AromaticContact CZ-CE2 3.9Å; F92-F106 HydrophobicContact CZ-CE2 3.9Å; F92-F106 HydrophobicContact CZ-CG 4.03Å; F92-F106 AromaticContact CZ-CZ 3.76Å; F92-F106 HydrophobicContact CZ-CZ 3.76Å; F92-Q113 HydrophobicContact CD2-CG 4.14Å; F92-Q113 HydrophobicContact CE1-CB 4.5Å; F92-Q113 HydrophobicContact CE1-CG 4.47Å; F92-Q113 HydrophobicContact CE2-CB 3.92Å; F92-Q113 HydrophobicContact CE2-CG 3.66Å; F92-Q113 HydrophobicContact CZ-CB 3.72Å; F92-Q113 HydrophobicContact CZ-CG 3.85Å
93	C	96.6	Very high	93.6	Very high	21 Å²	21	68 Å²	68	14%	0.142	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-118.2	153.5	-177	-62.7	0	0	0	0	111.7	E90 C91 V95 K98 K99 Q100 Q113	E90-C93 PolarHBondContact O-SG 2.92Å; C91-C93 VanDerWaalsContact C-N 3.3Å; C91-C93 PolarHBondContact O-N 3.22Å; C93-V95 PolarHBondContact O-N 3.24Å; C93-K98 VanDerWaalsContact CB-O 3.31Å; C93-K98 WeakPolarHBondContact CB-O 3.49Å; C93-K98 PolarHBondContact SG-O 3.44Å; C93-K98 VanDerWaalsContact SG-O 3.35Å; C93-K99 CarbonylContact C-O 3.49Å; C93-K99 WeakPolarHBondContact CA-O 3.5Å; C93-K99 WeakPolarHBondContact CB-O 3.48Å; C93-Q100 VanDerWaalsContact SG-CG 3.55Å; C93-Q113 VanDerWaalsContact O-CG 3.27Å; C93-Q113 WeakPolarHBondContact O-CG 3.38Å; C93-Q113 PolarHBondContact O-NE2 3.02Å
94	C	96.4	Very high	92.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.364	C	S	.	.			trans	-53	127.5	169.3	173.3	0	0	0	0	109.8	R96 C97 K98 K99 L101 Q113 C115	C94-R96 PolarHBondContact O-N 3.13Å; C94-R96 VanDerWaalsContact O-N 3.15Å; C94-R96 PolarHBondContact SG-N 2.92Å; C94-C97 VanDerWaalsContact SG-SG 3.67Å; C94-K98 VanDerWaalsContact O-CA 3.23Å; C94-K98 WeakPolarHBondContact O-CA 3.48Å; C94-K98 PolarHBondContact O-N 3.17Å; C94-K99 PolarHBondContact N-O 3.14Å; C94-L101 HydrophobicContact CB-CD1 4.3Å; C94-L101 HydrophobicContact CB-CD2 4.35Å; C94-L101 HydrophobicContact CB-CG 4.47Å; C94-Q113 WeakPolarHBondContact CA-O 3.4Å; C94-C115 HydrophobicContact CB-CB 4.1Å; C94-C115 PolarHBondContact SG-N 3.32Å; C94-C115 VanDerWaalsContact SG-N 3.38Å
95	V	95.7	Very high	92.6	Very high	48 Å²	48	68.7 Å²	68.7	29%	0.291	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.2	-177.4	170.8	0	0	0	0	111.9	C93 K98 K112 Q113 Y114	C93-V95 PolarHBondContact O-N 3.24Å; V95-K98 PolarHBondContact O-NZ 3.45Å; V95-K112 HydrophobicContact CG1-CD 4.47Å; V95-K112 HydrophobicContact CG2-CB 3.93Å; V95-K112 HydrophobicContact CG2-CG 4.27Å; V95-Q113 PolarHBondContact N-O 3.46Å; V95-Y114 HydrophobicContact CB-CE1 3.98Å; V95-Y114 HydrophobicContact CG1-CE1 4.45Å
96	R	95.3	Very high	92.6	Very high	133 Å²	133	66.7 Å²	66.7	50%	0.502	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-64.5	-179	-174.3	172.6	179.5	148.4	-3.6	113.5	C94 Y114 C118 M121	C94-R96 PolarHBondContact O-N 3.13Å; C94-R96 VanDerWaalsContact O-N 3.15Å; C94-R96 PolarHBondContact SG-N 2.92Å; R96-Y114 HydrophobicContact CB-CD1 4.28Å; R96-Y114 HydrophobicContact CB-CE1 4.23Å; R96-C118 HydrophobicContact CB-CB 4.06Å; R96-C118 HydrophobicContact CG-CB 4.41Å; R96-M121 VanDerWaalsContact CZ-SD 3.56Å; R96-M121 PolarHBondContact NH1-O 2.82Å; R96-M121 VanDerWaalsContact NH1-O 3.1Å
97	C	96.2	Very high	92.6	Very high	65 Å²	65	68.4 Å²	68.4	44%	0.439	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.5	-172.1	69.1	0	0	0	0	114.7	C94 K99 C115	C94-C97 VanDerWaalsContact SG-SG 3.67Å; C97-K99 PolarHBondContact O-N 3.17Å; C97-K99 VanDerWaalsContact SG-CB 3.52Å; C97-C115 VanDerWaalsContact SG-SG 3.67Å
98	K	95.5	Very high	92.5	Very high	141 Å²	141	70.4 Å²	70.4	61%	0.613	37%	0.37	S	S	*	.			trans	59	8.4	-177.4	-50	-54.2	-175.2	-165.8	0	115.6	C93 C94 V95 Q100	C93-K98 VanDerWaalsContact CB-O 3.31Å; C93-K98 WeakPolarHBondContact CB-O 3.49Å; C93-K98 PolarHBondContact SG-O 3.44Å; C93-K98 VanDerWaalsContact SG-O 3.35Å; C94-K98 VanDerWaalsContact O-CA 3.23Å; C94-K98 WeakPolarHBondContact O-CA 3.48Å; C94-K98 PolarHBondContact O-N 3.17Å; V95-K98 PolarHBondContact O-NZ 3.45Å; K98-Q100 PolarHBondContact O-N 3.43Å
99	K	95	Very high	92.5	Very high	123 Å²	123	71.9 Å²	71.9	54%	0.535	38%	0.378	S	S	.	.			trans	-57.7	131	169.7	-176.3	179.9	178	-179	0	110	C93 C94 C97	C93-K99 CarbonylContact C-O 3.49Å; C93-K99 WeakPolarHBondContact CA-O 3.5Å; C93-K99 WeakPolarHBondContact CB-O 3.48Å; C94-K99 PolarHBondContact N-O 3.14Å; C97-K99 PolarHBondContact O-N 3.17Å; C97-K99 VanDerWaalsContact SG-CB 3.52Å
100	Q	94.4	Very high	92.5	Very high	82 Å²	82	73.7 Å²	73.7	38%	0.383	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-63.3	136.1	174.6	-70.4	177.3	-33.4	0	0	110.8	C93 K98 K102	C93-Q100 VanDerWaalsContact SG-CG 3.55Å; K98-Q100 PolarHBondContact O-N 3.43Å; Q100-K102 HydrophobicContact CB-CD 4.38Å; Q100-K102 HydrophobicContact CB-CG 4.15Å
101	L	95.2	Very high	92.5	Very high	9 Å²	9	75.4 Å²	75.4	5%	0.047	40%	0.396	C	S	.	.			trans	-108.8	46.9	-176.1	-60.2	170.7	0	0	0	110.6	F92 C94 D103 F106 Q113 C115	F92-L101 HydrophobicContact CD1-CB 3.68Å; F92-L101 HydrophobicContact CE1-CB 3.8Å; F92-L101 HydrophobicContact CE1-CD1 4.22Å; F92-L101 PolarHBondContact O-N 3.32Å; C94-L101 HydrophobicContact CB-CD1 4.3Å; C94-L101 HydrophobicContact CB-CD2 4.35Å; C94-L101 HydrophobicContact CB-CG 4.47Å; L101-D103 VanDerWaalsContact C-N 3.33Å; L101-D103 PolarHBondContact O-N 3.46Å; L101-F106 HydrophobicContact CB-CB 4.4Å; L101-F106 HydrophobicContact CD1-CB 3.74Å; L101-F106 HydrophobicContact CD1-CG 4.48Å; L101-F106 HydrophobicContact CD2-CB 4.27Å; L101-F106 HydrophobicContact CG-CB 4.36Å; L101-Q113 HydrophobicContact CD1-CB 3.75Å; L101-Q113 HydrophobicContact CD1-CG 3.55Å; L101-C115 HydrophobicContact CD2-CB 3.77Å
102	K	80.2	Confident	92.4	Very high	113 Å²	113	78.9 Å²	78.9	49%	0.491	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-29.5	-169.3	-69.4	174.4	-179.4	170.8	0	113.9	Q100 G104	Q100-K102 HydrophobicContact CB-CD 4.38Å; Q100-K102 HydrophobicContact CB-CG 4.15Å; K102-G104 PolarHBondContact O-N 2.99Å
103	D	80.6	Confident	92.4	Very high	151 Å²	151	79.5 Å²	79.5	81%	0.807	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	9.8	-173.8	-49.6	-46	0	0	0	113	L101 V105	L101-D103 VanDerWaalsContact C-N 3.33Å; L101-D103 PolarHBondContact O-N 3.46Å; D103-V105 PolarHBondContact O-N 2.85Å; D103-V105 VanDerWaalsContact O-N 3.11Å
104	G	78.2	Confident	92.4	Very high	45 Å²	45	79.1 Å²	79.1	46%	0.464	41%	0.407	S	S	.	.	S	Bend	trans	73.6	-4.9	-178.9	0	0	0	0	0	114.7	K102 F106	K102-G104 PolarHBondContact O-N 2.99Å; G104-F106 WeakPolarHBondContact O-CD1 3.26Å; G104-F106 PolarHBondContact O-N 2.79Å
105	V	86.7	Confident	92.4	Very high	103 Å²	103	79.3 Å²	79.3	62%	0.624	41%	0.408	S	S	*	.			trans	-84.3	98.9	177.7	-174.3	0	0	0	0	110.4	D103	D103-V105 PolarHBondContact O-N 2.85Å; D103-V105 VanDerWaalsContact O-N 3.11Å
106	F	95.2	Very high	92.3	Very high	60 Å²	60	82.4 Å²	82.4	26%	0.263	42%	0.419	S	S	.	.			trans	-151	161.8	174.6	66.8	-83.9	0	0	0	111	A82 L83 F92 L101 G104 A108 Q113 Y114	A82-F106 HydrophobicContact CB-CZ 4.15Å; L83-F106 HydrophobicContact CD2-CE2 4.03Å; L83-F106 HydrophobicContact CG-CE2 4.32Å; F92-F106 AromaticContact CE1-CD1 3.6Å; F92-F106 HydrophobicContact CE1-CD1 3.6Å; F92-F106 HydrophobicContact CE1-CD2 4.49Å; F92-F106 AromaticContact CE1-CE1 3.74Å; F92-F106 HydrophobicContact CE1-CE1 3.74Å; F92-F106 HydrophobicContact CE1-CG 4.02Å; F92-F106 HydrophobicContact CE1-CZ 4.25Å; F92-F106 AromaticContact CZ-CD1 3.87Å; F92-F106 HydrophobicContact CZ-CD1 3.87Å; F92-F106 HydrophobicContact CZ-CD2 4.03Å; F92-F106 AromaticContact CZ-CE1 3.74Å; F92-F106 HydrophobicContact CZ-CE1 3.74Å; F92-F106 AromaticContact CZ-CE2 3.9Å; F92-F106 HydrophobicContact CZ-CE2 3.9Å; F92-F106 HydrophobicContact CZ-CG 4.03Å; F92-F106 AromaticContact CZ-CZ 3.76Å; F92-F106 HydrophobicContact CZ-CZ 3.76Å; L101-F106 HydrophobicContact CB-CB 4.4Å; L101-F106 HydrophobicContact CD1-CB 3.74Å; L101-F106 HydrophobicContact CD1-CG 4.48Å; L101-F106 HydrophobicContact CD2-CB 4.27Å; L101-F106 HydrophobicContact CG-CB 4.36Å; G104-F106 WeakPolarHBondContact O-CD1 3.26Å; G104-F106 PolarHBondContact O-N 2.79Å; F106-A108 HydrophobicContact CE2-CB 4.37Å; F106-Q113 HydrophobicContact CD2-CB 3.8Å; F106-Q113 HydrophobicContact CE2-CB 4.39Å; F106-Q113 HydrophobicContact CG-CB 4.36Å; F106-Y114 WeakPolarHBondContact CA-O 3.5Å; F106-Y114 WeakPolarHBondContact CB-O 3.17Å
107	L	94.9	Very high	92.2	Very high	83 Å²	83	79.4 Å²	79.4	44%	0.435	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.3	170	-70	86	0	0	0	109.1	Y114 A119	L107-Y114 PolarHBondContact N-O 3.06Å; L107-Y114 PolarHBondContact O-N 3.08Å; L107-A119 HydrophobicContact CB-CB 3.86Å; L107-A119 HydrophobicContact CD1-CB 3.97Å; L107-A119 HydrophobicContact CD2-CB 3.87Å; L107-A119 HydrophobicContact CG-CB 4.11Å
108	A	95	Very high	92.2	Very high	63 Å²	63	76.9 Å²	76.9	52%	0.521	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.5	172.9	0	0	0	0	0	109.3	L83 F106 K112	L83-A108 HydrophobicContact CD2-CB 3.53Å; F106-A108 HydrophobicContact CE2-CB 4.37Å; A108-K112 CarbonylContact C-O 3.59Å; A108-K112 WeakPolarHBondContact CA-O 3.27Å
109	I	94.5	Very high	92.2	Very high	44 Å²	44	70.5 Å²	70.5	23%	0.226	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.8	176.8	-56.8	174	0	0	0	107.2	E111 K112 Y114 A119 H122	I109-E111 VanDerWaalsContact C-N 3.32Å; I109-E111 PolarHBondContact O-N 2.86Å; I109-K112 PolarHBondContact N-O 3.46Å; I109-K112 WeakPolarHBondContact O-CB 3.34Å; I109-K112 PolarHBondContact O-N 3.4Å; I109-Y114 HydrophobicContact CB-CD2 3.93Å; I109-Y114 HydrophobicContact CB-CE2 3.91Å; I109-Y114 HydrophobicContact CD1-CD2 4.09Å; I109-Y114 HydrophobicContact CG1-CD2 4.17Å; I109-A119 HydrophobicContact CD1-CB 3.98Å; I109-H122 HydrophobicContact CD1-CB 3.96Å
110	N	92.8	Very high	92.1	Very high	118 Å²	118	69.7 Å²	69.7	63%	0.631	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	51.1	-177	-60.6	-26	0	0	0	112.7	K112	N110-K112 PolarHBondContact O-N 3.37Å; N110-K112 VanDerWaalsContact O-N 3.08Å
111	E	92.4	Very high	91.9	Very high	151 Å²	151	71.1 Å²	71.1	71%	0.706	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	19.3	-176.9	-58.8	-176.9	80.4	0	0	115.5	K85 I109	K85-E111 IonicContact NZ-OE1 3.95Å; I109-E111 VanDerWaalsContact C-N 3.32Å; I109-E111 PolarHBondContact O-N 2.86Å
112	K	94.4	Very high	91.2	Very high	103 Å²	103	73.8 Å²	73.8	45%	0.448	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.6	177.7	-69.7	170.8	-178	174.8	0	111	V95 A108 I109 N110 Y114	V95-K112 HydrophobicContact CG1-CD 4.47Å; V95-K112 HydrophobicContact CG2-CB 3.93Å; V95-K112 HydrophobicContact CG2-CG 4.27Å; A108-K112 CarbonylContact C-O 3.59Å; A108-K112 WeakPolarHBondContact CA-O 3.27Å; I109-K112 PolarHBondContact N-O 3.46Å; I109-K112 WeakPolarHBondContact O-CB 3.34Å; I109-K112 PolarHBondContact O-N 3.4Å; N110-K112 PolarHBondContact O-N 3.37Å; N110-K112 VanDerWaalsContact O-N 3.08Å; K112-Y114 HydrophobicContact CB-CD2 4.46Å; K112-Y114 HydrophobicContact CB-CE2 3.65Å; K112-Y114 WeakPolarHBondContact O-CD2 3.35Å
113	Q	95.4	Very high	90.6	Very high	13 Å²	13	76 Å²	76	6%	0.061	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.5	179.5	66.8	-70.8	-12.5	0	0	112.4	L83 F92 C93 C94 V95 L101 F106	L83-Q113 HydrophobicContact CD1-CB 4.15Å; F92-Q113 HydrophobicContact CD2-CG 4.14Å; F92-Q113 HydrophobicContact CE1-CB 4.5Å; F92-Q113 HydrophobicContact CE1-CG 4.47Å; F92-Q113 HydrophobicContact CE2-CB 3.92Å; F92-Q113 HydrophobicContact CE2-CG 3.66Å; F92-Q113 HydrophobicContact CZ-CB 3.72Å; F92-Q113 HydrophobicContact CZ-CG 3.85Å; C93-Q113 VanDerWaalsContact O-CG 3.27Å; C93-Q113 WeakPolarHBondContact O-CG 3.38Å; C93-Q113 PolarHBondContact O-NE2 3.02Å; C94-Q113 WeakPolarHBondContact CA-O 3.4Å; V95-Q113 PolarHBondContact N-O 3.46Å; L101-Q113 HydrophobicContact CD1-CB 3.75Å; L101-Q113 HydrophobicContact CD1-CG 3.55Å; F106-Q113 HydrophobicContact CD2-CB 3.8Å; F106-Q113 HydrophobicContact CE2-CB 4.39Å; F106-Q113 HydrophobicContact CG-CB 4.36Å
114	Y	96.7	Very high	89.5	Confident	14 Å²	14	78.4 Å²	78.4	6%	0.055	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145	176.6	-65.2	-85.1	0	0	0	111.1	V95 R96 F106 L107 I109 K112 C118 H122	V95-Y114 HydrophobicContact CB-CE1 3.98Å; V95-Y114 HydrophobicContact CG1-CE1 4.45Å; R96-Y114 HydrophobicContact CB-CD1 4.28Å; R96-Y114 HydrophobicContact CB-CE1 4.23Å; F106-Y114 WeakPolarHBondContact CA-O 3.5Å; F106-Y114 WeakPolarHBondContact CB-O 3.17Å; L107-Y114 PolarHBondContact N-O 3.06Å; L107-Y114 PolarHBondContact O-N 3.08Å; I109-Y114 HydrophobicContact CB-CD2 3.93Å; I109-Y114 HydrophobicContact CB-CE2 3.91Å; I109-Y114 HydrophobicContact CD1-CD2 4.09Å; I109-Y114 HydrophobicContact CG1-CD2 4.17Å; K112-Y114 HydrophobicContact CB-CD2 4.46Å; K112-Y114 HydrophobicContact CB-CE2 3.65Å; K112-Y114 WeakPolarHBondContact O-CD2 3.35Å; Y114-C118 HydrophobicContact CD1-CB 4.36Å; Y114-H122 AromaticContact CE1-CD2 3.69Å; Y114-H122 AromaticContact CE2-CD2 3.56Å; Y114-H122 AromaticContact CE2-NE2 3.79Å; Y114-H122 AromaticContact CZ-CD2 3.21Å; Y114-H122 AromaticContact CZ-NE2 3.39Å; Y114-H122 PolarHBondContact OH-CD2 3.11Å; Y114-H122 PolarHBondContact OH-NE2 2.8Å
115	C	95.9	Very high	90.1	Very high	4 Å²	4	80.1 Å²	80.1	3%	0.027	43%	0.431	C	S	.	.			trans	-72.4	160.9	167.2	70.4	0	0	0	0	110.1	C94 C97 L101 S117 C118 A119	C94-C115 HydrophobicContact CB-CB 4.1Å; C94-C115 PolarHBondContact SG-N 3.32Å; C94-C115 VanDerWaalsContact SG-N 3.38Å; C97-C115 VanDerWaalsContact SG-SG 3.67Å; L101-C115 HydrophobicContact CD2-CB 3.77Å; C115-S117 PolarHBondContact O-N 2.78Å; C115-S117 VanDerWaalsContact O-N 3.13Å; C115-C118 PolarHBondContact O-N 3.48Å; C115-C118 PolarHBondContact SG-N 2.82Å; C115-C118 VanDerWaalsContact SG-N 3.44Å; C115-A119 PolarHBondContact O-N 3.39Å
116	H	93.8	Very high	90.2	Very high	112 Å²	112	78.9 Å²	78.9	52%	0.519	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.6	178.1	69.4	93.3	0	0	0	113.6	P120	H116-P120 WeakPolarHBondContact O-CD 3.29Å
117	S	94.1	Very high	90	Very high	71 Å²	71	79.9 Å²	79.9	50%	0.497	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-30	178.1	-51	0	0	0	0	113.5	C115	C115-S117 PolarHBondContact O-N 2.78Å; C115-S117 VanDerWaalsContact O-N 3.13Å
118	C	95.9	Very high	89.7	Confident	12 Å²	12	79.8 Å²	79.8	8%	0.081	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-25.4	-175.3	-72.1	0	0	0	0	113.3	R96 Y114 C115 M121	R96-C118 HydrophobicContact CB-CB 4.06Å; R96-C118 HydrophobicContact CG-CB 4.41Å; Y114-C118 HydrophobicContact CD1-CB 4.36Å; C115-C118 PolarHBondContact O-N 3.48Å; C115-C118 PolarHBondContact SG-N 2.82Å; C115-C118 VanDerWaalsContact SG-N 3.44Å; C118-M121 WeakPolarHBondContact O-CB 3.32Å; C118-M121 PolarHBondContact O-N 3.29Å; C118-M121 VanDerWaalsContact O-N 3.17Å
119	A	93.9	Very high	89.3	Confident	7 Å²	7	80.8 Å²	80.8	6%	0.058	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-59.2	-43.2	-179.6	0	0	0	0	0	113.3	L107 I109 C115 M121 H122	L107-A119 HydrophobicContact CB-CB 3.86Å; L107-A119 HydrophobicContact CD1-CB 3.97Å; L107-A119 HydrophobicContact CD2-CB 3.87Å; L107-A119 HydrophobicContact CG-CB 4.11Å; I109-A119 HydrophobicContact CD1-CB 3.98Å; C115-A119 PolarHBondContact O-N 3.39Å; A119-M121 PolarHBondContact O-N 3.37Å; A119-H122 VanDerWaalsContact O-CB 3.23Å; A119-H122 WeakPolarHBondContact O-CB 3.47Å; A119-H122 PolarHBondContact O-N 2.79Å
120	P	93.6	Very high	89	Confident	106 Å²	106	83.3 Å²	83.3	69%	0.688	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-65.6	-22.2	177.1	-21.7	33.9	0	0	0	113.6	H116 H122	H116-P120 WeakPolarHBondContact O-CD 3.29Å; P120-H122 PolarHBondContact O-N 3.12Å
121	M	90.6	Very high	88.7	Confident	111 Å²	111	80.8 Å²	80.8	55%	0.547	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-83.6	4.2	178	-48.6	179.9	99.5	0	0	112.4	R96 C118 A119 N123	R96-M121 VanDerWaalsContact CZ-SD 3.56Å; R96-M121 PolarHBondContact NH1-O 2.82Å; R96-M121 VanDerWaalsContact NH1-O 3.1Å; C118-M121 WeakPolarHBondContact O-CB 3.32Å; C118-M121 PolarHBondContact O-N 3.29Å; C118-M121 VanDerWaalsContact O-N 3.17Å; A119-M121 PolarHBondContact O-N 3.37Å; M121-N123 PolarHBondContact O-N 3.16Å
122	H	80.1	Confident	88.4	Confident	66 Å²	66	75.4 Å²	75.4	31%	0.306	40%	0.401	S	S	.	.			trans	-86.2	91.2	170.5	-145.7	-70.5	0	0	0	107.3	I109 Y114 A119 P120 N124	I109-H122 HydrophobicContact CD1-CB 3.96Å; Y114-H122 AromaticContact CE1-CD2 3.69Å; Y114-H122 AromaticContact CE2-CD2 3.56Å; Y114-H122 AromaticContact CE2-NE2 3.79Å; Y114-H122 AromaticContact CZ-CD2 3.21Å; Y114-H122 AromaticContact CZ-NE2 3.39Å; Y114-H122 PolarHBondContact OH-CD2 3.11Å; Y114-H122 PolarHBondContact OH-NE2 2.8Å; A119-H122 VanDerWaalsContact O-CB 3.23Å; A119-H122 WeakPolarHBondContact O-CB 3.47Å; A119-H122 PolarHBondContact O-N 2.79Å; P120-H122 PolarHBondContact O-N 3.12Å; H122-N124 PolarHBondContact O-N 2.95Å
123	N	67.6	Low	88	Confident	158 Å²	158	73.1 Å²	73.1	85%	0.845	40%	0.397	S	S	*	.			trans	-69	125.6	171.6	-145.6	37.3	0	0	0	107.4	M121	M121-N123 PolarHBondContact O-N 3.16Å
124	N	57.8	Low	87.3	Confident	203 Å²	203	78.5 Å²	78.5	100%	1.086	43%	0.428	S	S	*	.			trans	-84.7	0	167.4	-174.9	63.4	0	0	0	109.2	H122	H122-N124 PolarHBondContact O-N 2.95Å

Retrieved 124 of 124 residues in 80.2 ms (Link to these results)

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