A0A5K4FC53_SCHMA Loading...

5-formyltetrahydrofolate cyclo-ligase

AlphaFold DB , UniProt , Accession A0A5K4FC53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 126 aa.

						>A0A5K4FC53_SCHMA|A0A5K4FC53
MFSASDDYPPMSMRHVKSLKEIESWKSNKWGIKEPEPVSYVEQLDEITKQGGLDLFVVPGLAFTRSGHRLGRGGGYYDRYIQWYTGQCHLGVFQRAKLVAFAFEEQIVDYIPSETHDLIIDQLFVA
					

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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	32.4	Very low	56.7	Low	243 Å²	243	99.4 Å²	99.4	100%	1.197	54%	0.538	S	S	*	.				0	92.9	0	-158.3	173.9	-155.3	0	0	105.3
2	F	35.1	Very low	59.6	Low	187 Å²	187	93.9 Å²	93.9	82%	0.82	51%	0.513	S	S	*	.			trans	-71.6	134.2	179.7	-68.1	-75.7	0	0	0	108.2	D6	F2-D6 WeakPolarHBondContact CA-OD2 3.5Å; F2-D6 HydrophobicContact CB-CB 4.03Å; F2-D6 WeakPolarHBondContact CB-OD2 3.39Å; F2-D6 HydrophobicContact CD1-CB 4.41Å
3	S	32.7	Very low	62.1	Low	64 Å²	64	90.8 Å²	90.8	45%	0.448	49%	0.493	S	S	.	.			trans	-80.7	156.1	-177.9	71.4	0	0	0	0	109.3	S5 D6	S3-S5 PolarHBondContact O-N 3.38Å; S3-S5 PolarHBondContact OG-OG 3.26Å; S3-D6 PolarHBondContact N-OD2 3.29Å; S3-D6 VanDerWaalsContact O-CB 3.29Å; S3-D6 WeakPolarHBondContact O-CB 3.27Å; S3-D6 PolarHBondContact O-N 3.48Å
4	A	42.5	Very low	64.3	Low	78 Å²	78	89.4 Å²	89.4	65%	0.645	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-7.1	-178.7	0	0	0	0	0	114.9	Y8	A4-Y8 WeakPolarHBondContact O-CE2 3.47Å
5	S	49.5	Very low	66.2	Low	84 Å²	84	89.9 Å²	89.9	59%	0.587	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.6	168.4	60.1	0	0	0	0	114	S3 D7	S3-S5 PolarHBondContact O-N 3.38Å; S3-S5 PolarHBondContact OG-OG 3.26Å; S5-D7 VanDerWaalsContact C-N 3.33Å
6	D	51.8	Low	67.9	Low	63 Å²	63	87.2 Å²	87.2	34%	0.337	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.9	178.8	-66.1	-44.6	0	0	0	113	F2 S3 Y8	F2-D6 WeakPolarHBondContact CA-OD2 3.5Å; F2-D6 HydrophobicContact CB-CB 4.03Å; F2-D6 WeakPolarHBondContact CB-OD2 3.39Å; F2-D6 HydrophobicContact CD1-CB 4.41Å; S3-D6 PolarHBondContact N-OD2 3.29Å; S3-D6 VanDerWaalsContact O-CB 3.29Å; S3-D6 WeakPolarHBondContact O-CB 3.27Å; S3-D6 PolarHBondContact O-N 3.48Å; D6-Y8 PolarHBondContact O-N 3.31Å
7	D	56.3	Low	69.4	Low	129 Å²	129	92.3 Å²	92.3	69%	0.69	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.6	180	-79.4	-21.2	0	0	0	113.6	S5	S5-D7 VanDerWaalsContact C-N 3.33Å
8	Y	71.2	Confident	70.9	Confident	133 Å²	133	90.4 Å²	90.4	52%	0.522	48%	0.476	S	S	.	.	S	Bend	trans	-104.2	133.7	-176.9	-56.7	-68	0	0	0	111.5	A4 D6 Y40	A4-Y8 WeakPolarHBondContact O-CE2 3.47Å; D6-Y8 PolarHBondContact O-N 3.31Å; Y8-Y40 HydrophobicContact CD1-CD2 4.11Å; Y8-Y40 HydrophobicContact CD1-CG 4.44Å; Y8-Y40 HydrophobicContact CE1-CD2 4.42Å; Y8-Y40 HydrophobicContact CE1-CG 4.45Å
9	P	79.2	Confident	72.2	Confident	17 Å²	17	92.8 Å²	92.8	11%	0.11	49%	0.489	C	S	.	.			trans	-64.8	130	175.2	29.9	-35.1	0	0	0	108.5	M11 Y80 W83	P9-M11 PolarHBondContact O-N 3.22Å; P9-Y80 HydrophobicContact CB-CD2 3.91Å; P9-Y80 HydrophobicContact CB-CG 4.5Å; P9-Y80 HydrophobicContact CG-CD2 4.35Å; P9-W83 HydrophobicContact CB-CB 4.26Å; P9-W83 HydrophobicContact CB-CG 4.47Å; P9-W83 HydrophobicContact CG-CB 4.18Å; P9-W83 HydrophobicContact CG-CD2 3.84Å; P9-W83 HydrophobicContact CG-CE3 4.03Å; P9-W83 HydrophobicContact CG-CG 3.87Å
10	P	82.7	Confident	73.4	Confident	58 Å²	58	96.5 Å²	96.5	38%	0.377	50%	0.501	S	S	.	.	S	Bend	trans	-73.9	10.8	-177.2	33.8	-41.2	0	0	0	113.3	Y76	P10-Y76 HydrophobicContact CB-CD1 3.7Å; P10-Y76 HydrophobicContact CB-CE1 3.61Å; P10-Y76 HydrophobicContact CG-CD1 3.37Å; P10-Y76 HydrophobicContact CG-CE1 3.77Å; P10-Y76 HydrophobicContact CG-CG 4.1Å
11	M	90.8	Very high	74.5	Confident	37 Å²	37	94.6 Å²	94.6	18%	0.182	49%	0.489	C	S	.	.			trans	-141.4	153.9	-179.9	70.5	-175.7	-65	0	0	110.2	P9 M13 Y76 Y77 Y80	P9-M11 PolarHBondContact O-N 3.22Å; M11-M13 HydrophobicContact CE-CE 3.57Å; M11-M13 HydrophobicContact CE-SD 4.27Å; M11-Y76 HydrophobicContact CB-CD1 4.3Å; M11-Y77 HydrophobicContact CE-CE1 4.16Å; M11-Y77 HydrophobicContact CE-CE2 4.31Å; M11-Y77 HydrophobicContact SD-CG 4.49Å; M11-Y80 HydrophobicContact CG-CD2 3.33Å; M11-Y80 HydrophobicContact CG-CE2 4.2Å; M11-Y80 HydrophobicContact CG-CG 3.73Å; M11-Y80 WeakPolarHBondContact O-CD2 3.43Å; M11-Y80 WeakPolarHBondContact O-CE2 3.47Å; M11-Y80 HydrophobicContact SD-CD2 4.17Å; M11-Y80 HydrophobicContact SD-CG 3.97Å
12	S	91.2	Very high	77.5	Confident	34 Å²	34	85.8 Å²	85.8	24%	0.238	45%	0.447	C	S	.	.			trans	-122.6	136.8	173	63.8	0	0	0	0	110.2	Q43	S12-Q43 VanDerWaalsContact CA-OE1 3.28Å
13	M	92.4	Very high	80.3	Confident	53 Å²	53	83.1 Å²	83.1	26%	0.261	44%	0.437	S	S	.	.			trans	-90.9	134.8	165.4	-61.4	-70.7	-173.4	0	0	108.5	M11 F56 Y77 Y80	M11-M13 HydrophobicContact CE-CE 3.57Å; M11-M13 HydrophobicContact CE-SD 4.27Å; M13-F56 HydrophobicContact CE-CD1 4.12Å; M13-F56 HydrophobicContact CE-CE1 4.16Å; M13-F56 HydrophobicContact CG-CE1 4.37Å; M13-Y77 HydrophobicContact CE-CE1 4.03Å; M13-Y80 VanDerWaalsContact CB-OH 3.29Å; M13-Y80 WeakPolarHBondContact CB-OH 3.47Å; M13-Y80 HydrophobicContact CE-CD1 4.45Å; M13-Y80 HydrophobicContact CE-CE1 4.39Å; M13-Y80 HydrophobicContact CG-CD1 4.46Å; M13-Y80 HydrophobicContact CG-CE1 3.62Å; M13-Y80 HydrophobicContact CG-CE2 3.97Å; M13-Y80 VanDerWaalsContact CG-OH 3.23Å; M13-Y80 WeakPolarHBondContact CG-OH 3.48Å
14	R	93	Very high	83.3	Confident	72 Å²	72	84.4 Å²	84.4	27%	0.272	45%	0.446	S	S	.	.			trans	-122.6	140.6	-177	-56.8	-61.3	-66.2	156.3	4.3	109.9	V16 P35 E46	R14-V16 PolarHBondContact O-N 3.45Å; R14-P35 HydrophobicContact CB-CG 4.15Å; R14-P35 HydrophobicContact CG-CB 4.07Å; R14-P35 HydrophobicContact CG-CG 3.46Å; R14-P35 VanDerWaalsContact CG-CG 3.46Å; R14-E46 IonicContact CZ-OE1 3.83Å; R14-E46 IonicContact CZ-OE2 2.63Å; R14-E46 IonicContact NE-OE1 2.73Å; R14-E46 IonicContact NE-OE2 3.59Å; R14-E46 VanDerWaalsContact NH1-CD 3.29Å; R14-E46 IonicContact NH1-OE1 3.38Å; R14-E46 IonicContact NH1-OE2 3.02Å; R14-E46 PolarHBondContact NH1-OE2 2.94Å; R14-E46 IonicContact NH2-OE1 3.93Å; R14-E46 IonicContact NH2-OE2 3.86Å; R14-E46 PolarHBondContact NH2-OE2 2.87Å
15	H	92.6	Very high	85.8	Confident	96 Å²	96	83 Å²	83	44%	0.444	42%	0.424	S	S	.	.			trans	-72.7	120.6	171.4	178	-159	0	0	0	109.5	E46	H15-E46 WeakPolarHBondContact CB-OE1 3.44Å; H15-E46 PolarHBondContact N-OE1 3.39Å
16	V	93.2	Very high	87.9	Confident	47 Å²	47	86.1 Å²	86.1	29%	0.285	43%	0.427	S	S	.	.			trans	-105.5	131.3	177.8	-179	0	0	0	0	109.6	R14 S18 E21 I22 W25	R14-V16 PolarHBondContact O-N 3.45Å; V16-S18 VanDerWaalsContact CG1-O 3.25Å; V16-S18 WeakPolarHBondContact CG1-O 3.39Å; V16-E21 HydrophobicContact CG1-CB 4.27Å; V16-I22 HydrophobicContact CB-CG1 4.47Å; V16-I22 HydrophobicContact CG1-CD1 3.87Å; V16-I22 HydrophobicContact CG1-CG1 3.47Å; V16-I22 VanDerWaalsContact CG1-CG1 3.47Å; V16-I22 HydrophobicContact CG2-CG1 4.27Å; V16-W25 HydrophobicContact CG2-CH2 3.39Å; V16-W25 HydrophobicContact CG2-CZ2 3.95Å; V16-W25 HydrophobicContact CG2-CZ3 4.3Å
17	K	93.2	Very high	90	Very high	174 Å²	174	86.1 Å²	86.1	76%	0.757	43%	0.432	S	S	*	.			trans	-91.2	-23	-177.6	-60.7	176.5	-177	173.5	0	113.5	E21	K17-E21 WeakPolarHBondContact CB-OE2 3.25Å; K17-E21 PolarHBondContact N-OE2 3.41Å
18	S	96.6	Very high	91.7	Very high	58 Å²	58	81.9 Å²	81.9	41%	0.406	41%	0.409	S	S	.	.			trans	-160.7	160.3	-179.8	67.4	0	0	0	0	112.9	V16 K20 E21	V16-S18 VanDerWaalsContact CG1-O 3.25Å; V16-S18 WeakPolarHBondContact CG1-O 3.39Å; S18-K20 VanDerWaalsContact C-N 3.25Å; S18-K20 PolarHBondContact O-N 3.27Å; S18-E21 VanDerWaalsContact O-CB 3.29Å; S18-E21 WeakPolarHBondContact O-CB 3.42Å; S18-E21 PolarHBondContact O-N 2.92Å; S18-E21 VanDerWaalsContact O-N 3.14Å; S18-E21 PolarHBondContact OG-N 3.42Å
19	L	95.4	Very high	92.8	Very high	137 Å²	137	84.2 Å²	84.2	72%	0.717	42%	0.422	S	S	*	.	H	α-helix	trans	-60.4	-36.1	171.8	-67.5	175.9	0	0	0	112.5	E21 I22 E23	L19-E21 PolarHBondContact O-N 3.07Å; L19-I22 HydrophobicContact CD2-CD1 4.36Å; L19-I22 WeakPolarHBondContact O-CB 3.4Å; L19-I22 PolarHBondContact O-N 3.48Å; L19-E23 WeakPolarHBondContact O-CG 3.17Å; L19-E23 PolarHBondContact O-N 2.81Å
20	K	96	Very high	93.4	Very high	165 Å²	165	92.5 Å²	92.5	72%	0.717	45%	0.451	S	S	*	.	H	α-helix	trans	-59.7	-32.4	176.6	-173	178.4	-180	-178.9	0	112.5	S18 S24	S18-K20 VanDerWaalsContact C-N 3.25Å; S18-K20 PolarHBondContact O-N 3.27Å; K20-S24 PolarHBondContact O-N 3.42Å
21	E	95.9	Very high	93.9	Very high	57 Å²	57	92.3 Å²	92.3	27%	0.266	46%	0.46	S	S	.	.	H	α-helix	trans	-64.7	-47.5	174.2	-175.2	-179.5	170.2	0	0	111	V16 K17 S18 L19 E23 S24 W25	V16-E21 HydrophobicContact CG1-CB 4.27Å; K17-E21 WeakPolarHBondContact CB-OE2 3.25Å; K17-E21 PolarHBondContact N-OE2 3.41Å; S18-E21 VanDerWaalsContact O-CB 3.29Å; S18-E21 WeakPolarHBondContact O-CB 3.42Å; S18-E21 PolarHBondContact O-N 2.92Å; S18-E21 VanDerWaalsContact O-N 3.14Å; S18-E21 PolarHBondContact OG-N 3.42Å; L19-E21 PolarHBondContact O-N 3.07Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 3.03Å; E21-S24 WeakPolarHBondContact O-CB 3.31Å; E21-S24 PolarHBondContact O-N 3.13Å; E21-S24 VanDerWaalsContact O-N 3.14Å; E21-S24 PolarHBondContact O-OG 3.4Å; E21-W25 HydrophobicContact CG-CZ2 4.35Å; E21-W25 PolarHBondContact O-NE1 2.89Å
22	I	95.5	Very high	94	Very high	58 Å²	58	95.1 Å²	95.1	30%	0.297	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-43	177	-56	178	0	0	0	110.8	V16 L19 S24 W25 K33	V16-I22 HydrophobicContact CB-CG1 4.47Å; V16-I22 HydrophobicContact CG1-CD1 3.87Å; V16-I22 HydrophobicContact CG1-CG1 3.47Å; V16-I22 VanDerWaalsContact CG1-CG1 3.47Å; V16-I22 HydrophobicContact CG2-CG1 4.27Å; L19-I22 HydrophobicContact CD2-CD1 4.36Å; L19-I22 WeakPolarHBondContact O-CB 3.4Å; L19-I22 PolarHBondContact O-N 3.48Å; I22-S24 PolarHBondContact O-N 3.39Å; I22-W25 HydrophobicContact CB-CE3 4.46Å; I22-W25 HydrophobicContact CG1-CZ3 4.29Å; I22-W25 HydrophobicContact CG2-CE3 4.16Å; I22-W25 HydrophobicContact CG2-CZ3 4.42Å; I22-W25 WeakPolarHBondContact O-CB 3.32Å; I22-W25 PolarHBondContact O-N 3.07Å; I22-W25 VanDerWaalsContact O-N 3.1Å; I22-K33 HydrophobicContact CG2-CB 3.83Å; I22-K33 HydrophobicContact CG2-CG 4.44Å
23	E	94.8	Very high	94.2	Very high	132 Å²	132	97.5 Å²	97.5	62%	0.617	48%	0.481	S	S	*	.	H	α-helix	trans	-59.7	-32.8	179.1	-71.1	171.1	173.1	0	0	112.2	L19 E21 W25 K33	L19-E23 WeakPolarHBondContact O-CG 3.17Å; L19-E23 PolarHBondContact O-N 2.81Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 3.03Å; E23-W25 VanDerWaalsContact C-N 3.29Å; E23-W25 PolarHBondContact O-N 3.11Å; E23-K33 PolarHBondContact O-NZ 3.16Å; E23-K33 VanDerWaalsContact O-NZ 3.13Å
24	S	94.8	Very high	94.3	Very high	91 Å²	91	99.3 Å²	99.3	64%	0.636	49%	0.489	S	S	*	.	H	α-helix	trans	-71.7	-18.9	178.6	80.3	0	0	0	0	114.3	K20 E21 I22	K20-S24 PolarHBondContact O-N 3.42Å; E21-S24 WeakPolarHBondContact O-CB 3.31Å; E21-S24 PolarHBondContact O-N 3.13Å; E21-S24 VanDerWaalsContact O-N 3.14Å; E21-S24 PolarHBondContact O-OG 3.4Å; I22-S24 PolarHBondContact O-N 3.39Å
25	W	95.3	Very high	94.3	Very high	47 Å²	47	97.7 Å²	97.7	18%	0.178	49%	0.487	C	S	.	.	S	Bend	trans	-70.9	160.4	-177.1	-65.5	-13.1	0	0	0	112.7	V16 E21 I22 E23 K33 E34 P35	V16-W25 HydrophobicContact CG2-CH2 3.39Å; V16-W25 HydrophobicContact CG2-CZ2 3.95Å; V16-W25 HydrophobicContact CG2-CZ3 4.3Å; E21-W25 HydrophobicContact CG-CZ2 4.35Å; E21-W25 PolarHBondContact O-NE1 2.89Å; I22-W25 HydrophobicContact CB-CE3 4.46Å; I22-W25 HydrophobicContact CG1-CZ3 4.29Å; I22-W25 HydrophobicContact CG2-CE3 4.16Å; I22-W25 HydrophobicContact CG2-CZ3 4.42Å; I22-W25 WeakPolarHBondContact O-CB 3.32Å; I22-W25 PolarHBondContact O-N 3.07Å; I22-W25 VanDerWaalsContact O-N 3.1Å; E23-W25 VanDerWaalsContact C-N 3.29Å; E23-W25 PolarHBondContact O-N 3.11Å; W25-K33 HydrophobicContact CB-CB 4.29Å; W25-K33 HydrophobicContact CB-CD 4.42Å; W25-K33 WeakPolarHBondContact O-CD 3.34Å; W25-K33 WeakPolarHBondContact O-CE 3.24Å; W25-K33 PolarHBondContact O-NZ 3.1Å; W25-E34 WeakPolarHBondContact CB-O 3.28Å; W25-P35 HydrophobicContact CD2-CB 4.15Å; W25-P35 HydrophobicContact CE3-CB 4.37Å; W25-P35 HydrophobicContact CE3-CG 4.46Å; W25-P35 HydrophobicContact CH2-CB 3.98Å; W25-P35 HydrophobicContact CH2-CG 3.93Å; W25-P35 HydrophobicContact CZ2-CB 3.79Å; W25-P35 HydrophobicContact CZ2-CG 4.26Å; W25-P35 HydrophobicContact CZ3-CB 4.3Å; W25-P35 HydrophobicContact CZ3-CG 4.07Å
26	K	94.6	Very high	94.1	Very high	150 Å²	150	99.3 Å²	99.3	65%	0.652	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.2	172.9	-66.9	179.6	-173.1	160.9	0	109.3	E34 E36	K26-E34 PolarHBondContact O-N 2.65Å; K26-E36 IonicContact NZ-OE1 2.7Å
27	S	95.4	Very high	93.9	Very high	63 Å²	63	102.5 Å²	102.5	44%	0.441	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	137.9	171.5	-67.9	0	0	0	0	109.8	G31 I32	S27-G31 PolarHBondContact OG-O 2.89Å; S27-I32 CarbonylContact C-O 3.53Å; S27-I32 VanDerWaalsContact CA-O 3.25Å; S27-I32 WeakPolarHBondContact CA-O 3.12Å
28	N	92.6	Very high	93.8	Very high	40 Å²	40	96.1 Å²	96.1	21%	0.214	49%	0.492	C	S	.	.			trans	-73.6	-177.5	169	72.1	11.5	0	0	0	111.3	W30 G31 I32 E34	N28-W30 PolarHBondContact O-N 3.45Å; N28-W30 WeakPolarHBondContact OD1-CA 3.36Å; N28-W30 WeakPolarHBondContact OD1-CB 3.28Å; N28-W30 PolarHBondContact OD1-N 3.35Å; N28-G31 PolarHBondContact O-N 2.89Å; N28-G31 PolarHBondContact OD1-N 3.15Å; N28-I32 PolarHBondContact N-O 3.27Å; N28-I32 PolarHBondContact OD1-N 3.03Å; N28-I32 VanDerWaalsContact OD1-N 3.11Å; N28-I32 PolarHBondContact OD1-O 2.68Å; N28-E34 VanDerWaalsContact CB-OE2 3.3Å; N28-E34 WeakPolarHBondContact CB-OE2 3.4Å; N28-E34 PolarHBondContact ND2-OE1 2.89Å; N28-E34 PolarHBondContact ND2-OE2 3.3Å
29	K	93.4	Very high	93.5	Very high	182 Å²	182	96 Å²	96	79%	0.791	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.8	178.7	67.4	176.9	178.1	179.6	0	115
30	W	91	Very high	93.1	Very high	191 Å²	191	93.7 Å²	93.7	72%	0.723	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	4.9	177.2	-51.8	111.1	0	0	0	112.8	N28 I32	N28-W30 PolarHBondContact O-N 3.45Å; N28-W30 WeakPolarHBondContact OD1-CA 3.36Å; N28-W30 WeakPolarHBondContact OD1-CB 3.28Å; N28-W30 PolarHBondContact OD1-N 3.35Å; W30-I32 VanDerWaalsContact C-N 3.28Å; W30-I32 HydrophobicContact CB-CD1 4.36Å; W30-I32 HydrophobicContact CB-CG1 4.36Å; W30-I32 PolarHBondContact O-N 3.45Å
31	G	94.4	Very high	92.9	Very high	54 Å²	54	90.7 Å²	90.7	56%	0.557	47%	0.469	S	S	*	.	S	Bend	trans	80.8	1.6	-178.6	0	0	0	0	0	114.6	S27 N28	S27-G31 PolarHBondContact OG-O 2.89Å; N28-G31 PolarHBondContact O-N 2.89Å; N28-G31 PolarHBondContact OD1-N 3.15Å
32	I	93.4	Very high	92.8	Very high	97 Å²	97	93 Å²	93	50%	0.497	48%	0.48	S	S	.	.			trans	-85.2	131.3	-177.3	-56.6	173.3	0	0	0	109.5	S27 N28 W30 E34	S27-I32 CarbonylContact C-O 3.53Å; S27-I32 VanDerWaalsContact CA-O 3.25Å; S27-I32 WeakPolarHBondContact CA-O 3.12Å; N28-I32 PolarHBondContact N-O 3.27Å; N28-I32 PolarHBondContact OD1-N 3.03Å; N28-I32 VanDerWaalsContact OD1-N 3.11Å; N28-I32 PolarHBondContact OD1-O 2.68Å; W30-I32 VanDerWaalsContact C-N 3.28Å; W30-I32 HydrophobicContact CB-CD1 4.36Å; W30-I32 HydrophobicContact CB-CG1 4.36Å; W30-I32 PolarHBondContact O-N 3.45Å; I32-E34 HydrophobicContact CG2-CG 4.26Å; I32-E34 PolarHBondContact O-N 3.48Å
33	K	95.6	Very high	92.6	Very high	84 Å²	84	90.6 Å²	90.6	37%	0.365	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	121	175.1	-67.6	-71.3	-172.2	171.1	0	110	I22 E23 W25	I22-K33 HydrophobicContact CG2-CB 3.83Å; I22-K33 HydrophobicContact CG2-CG 4.44Å; E23-K33 PolarHBondContact O-NZ 3.16Å; E23-K33 VanDerWaalsContact O-NZ 3.13Å; W25-K33 HydrophobicContact CB-CB 4.29Å; W25-K33 HydrophobicContact CB-CD 4.42Å; W25-K33 WeakPolarHBondContact O-CD 3.34Å; W25-K33 WeakPolarHBondContact O-CE 3.24Å; W25-K33 PolarHBondContact O-NZ 3.1Å
34	E	94.4	Very high	92.5	Very high	91 Å²	91	85.9 Å²	85.9	43%	0.425	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.4	-176.9	-71.1	177.9	169	0	0	111.3	W25 K26 N28 I32	W25-E34 WeakPolarHBondContact CB-O 3.28Å; K26-E34 PolarHBondContact O-N 2.65Å; N28-E34 VanDerWaalsContact CB-OE2 3.3Å; N28-E34 WeakPolarHBondContact CB-OE2 3.4Å; N28-E34 PolarHBondContact ND2-OE1 2.89Å; N28-E34 PolarHBondContact ND2-OE2 3.3Å; I32-E34 HydrophobicContact CG2-CG 4.26Å; I32-E34 PolarHBondContact O-N 3.48Å
35	P	92.5	Very high	92.5	Very high	38 Å²	38	85 Å²	85	25%	0.247	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-69.1	160.9	174.1	29.2	-29	0	0	0	110.3	R14 W25	R14-P35 HydrophobicContact CB-CG 4.15Å; R14-P35 HydrophobicContact CG-CB 4.07Å; R14-P35 HydrophobicContact CG-CG 3.46Å; R14-P35 VanDerWaalsContact CG-CG 3.46Å; W25-P35 HydrophobicContact CD2-CB 4.15Å; W25-P35 HydrophobicContact CE3-CB 4.37Å; W25-P35 HydrophobicContact CE3-CG 4.46Å; W25-P35 HydrophobicContact CH2-CB 3.98Å; W25-P35 HydrophobicContact CH2-CG 3.93Å; W25-P35 HydrophobicContact CZ2-CB 3.79Å; W25-P35 HydrophobicContact CZ2-CG 4.26Å; W25-P35 HydrophobicContact CZ3-CB 4.3Å; W25-P35 HydrophobicContact CZ3-CG 4.07Å
36	E	89.1	Confident	92.4	Very high	129 Å²	129	84.6 Å²	84.6	60%	0.603	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-61	141.5	171.4	-67.1	-67.1	162	0	0	109.9	K26	K26-E36 IonicContact NZ-OE1 2.7Å
37	P	88.2	Confident	92.4	Very high	114 Å²	114	77.9 Å²	77.9	74%	0.74	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-57.8	142.4	177.7	-23.3	33.2	0	0	0	111.7
38	V	90	Very high	92.3	Very high	41 Å²	41	77.6 Å²	77.6	25%	0.248	40%	0.402	C	S	.	.			trans	-115.1	159.9	174.5	-65	0	0	0	0	110.6	E42 Q43	V38-E42 HydrophobicContact CB-CB 4.04Å; V38-Q43 HydrophobicContact CG2-CB 4.03Å
39	S	90.5	Very high	92.4	Very high	56 Å²	56	82.7 Å²	82.7	39%	0.392	42%	0.422	S	S	.	.			trans	-66.3	159.5	171.4	68.3	0	0	0	0	111.5	V41 E42 Q43	S39-V41 PolarHBondContact O-N 3.29Å; S39-E42 VanDerWaalsContact CB-OE2 3.32Å; S39-E42 WeakPolarHBondContact CB-OE2 3.46Å; S39-E42 PolarHBondContact N-OE2 3.47Å; S39-E42 PolarHBondContact O-N 3.04Å; S39-E42 VanDerWaalsContact OG-CD 3.3Å; S39-E42 VanDerWaalsContact OG-CG 3.25Å; S39-E42 WeakPolarHBondContact OG-CG 3.29Å; S39-E42 PolarHBondContact OG-N 2.92Å; S39-E42 PolarHBondContact OG-OE2 3.3Å; S39-Q43 PolarHBondContact O-N 3.42Å
40	Y	87.9	Confident	92.4	Very high	87 Å²	87	79.3 Å²	79.3	34%	0.341	41%	0.409	S	S	.	.	H	α-helix	trans	-51	-45.4	172.5	168.9	-95.6	0	0	0	112.7	Y8 Q43 L44 W83 Q87	Y8-Y40 HydrophobicContact CD1-CD2 4.11Å; Y8-Y40 HydrophobicContact CD1-CG 4.44Å; Y8-Y40 HydrophobicContact CE1-CD2 4.42Å; Y8-Y40 HydrophobicContact CE1-CG 4.45Å; Y40-Q43 PolarHBondContact O-N 2.8Å; Y40-L44 HydrophobicContact CE1-CD2 4.16Å; Y40-L44 PolarHBondContact O-N 2.87Å; Y40-W83 AromaticContact CE2-CE2 3.85Å; Y40-W83 AromaticContact CE2-CZ2 3.98Å; Y40-W83 HydrophobicContact CE2-CZ2 3.98Å; Y40-W83 AromaticContact CE2-NE1 3.31Å; Y40-W83 VanDerWaalsContact CE2-NE1 3.31Å; Y40-Q87 PolarHBondContact OH-NE2 3.37Å
41	V	91.6	Very high	92.5	Very high	102 Å²	102	72.9 Å²	72.9	62%	0.618	40%	0.401	S	S	*	.	H	α-helix	trans	-65.1	-44.1	-176.4	177.8	0	0	0	0	110.3	S39 Q43 L44 D45	S39-V41 PolarHBondContact O-N 3.29Å; V41-Q43 PolarHBondContact O-N 2.95Å; V41-L44 PolarHBondContact O-N 3.02Å; V41-D45 WeakPolarHBondContact O-CB 3.41Å; V41-D45 PolarHBondContact O-N 3.31Å
42	E	93.2	Very high	92.6	Very high	105 Å²	105	70.8 Å²	70.8	49%	0.491	38%	0.38	S	S	.	.	H	α-helix	trans	-63.8	-40	177.3	-71.7	166.4	130.3	0	0	112.2	V38 S39 E46	V38-E42 HydrophobicContact CB-CB 4.04Å; S39-E42 VanDerWaalsContact CB-OE2 3.32Å; S39-E42 WeakPolarHBondContact CB-OE2 3.46Å; S39-E42 PolarHBondContact N-OE2 3.47Å; S39-E42 PolarHBondContact O-N 3.04Å; S39-E42 VanDerWaalsContact OG-CD 3.3Å; S39-E42 VanDerWaalsContact OG-CG 3.25Å; S39-E42 WeakPolarHBondContact OG-CG 3.29Å; S39-E42 PolarHBondContact OG-N 2.92Å; S39-E42 PolarHBondContact OG-OE2 3.3Å; E42-E46 WeakPolarHBondContact O-CB 3.41Å; E42-E46 PolarHBondContact O-N 3.33Å
43	Q	92.2	Very high	92.7	Very high	9 Å²	9	68.9 Å²	68.9	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-64.6	-48.5	176.2	177.9	178.8	-33.6	0	0	112.2	S12 V38 S39 Y40 V41 E46 I47 W83	S12-Q43 VanDerWaalsContact CA-OE1 3.28Å; V38-Q43 HydrophobicContact CG2-CB 4.03Å; S39-Q43 PolarHBondContact O-N 3.42Å; Y40-Q43 PolarHBondContact O-N 2.8Å; V41-Q43 PolarHBondContact O-N 2.95Å; Q43-E46 PolarHBondContact O-N 3.31Å; Q43-I47 HydrophobicContact CG-CD1 3.88Å; Q43-I47 WeakPolarHBondContact O-CG1 3.36Å; Q43-I47 PolarHBondContact O-N 2.69Å; Q43-I47 VanDerWaalsContact O-N 3.1Å; Q43-W83 HydrophobicContact CG-CH2 4.14Å
44	L	92.4	Very high	92.7	Very high	32 Å²	32	72.2 Å²	72.2	17%	0.168	39%	0.392	C	S	.	.	H	α-helix	trans	-64.7	-43.2	179.8	-179.5	61.3	0	0	0	111.2	Y40 V41 I47 T48 W83 Q87 F93	Y40-L44 HydrophobicContact CE1-CD2 4.16Å; Y40-L44 PolarHBondContact O-N 2.87Å; V41-L44 PolarHBondContact O-N 3.02Å; L44-I47 PolarHBondContact O-N 3.25Å; L44-T48 VanDerWaalsContact O-CB 3.24Å; L44-T48 WeakPolarHBondContact O-CB 3.37Å; L44-T48 PolarHBondContact O-N 3.01Å; L44-T48 PolarHBondContact O-OG1 2.91Å; L44-W83 HydrophobicContact CB-CZ2 4.37Å; L44-W83 HydrophobicContact CD1-CH2 4.47Å; L44-W83 HydrophobicContact CD1-CZ2 4.1Å; L44-Q87 HydrophobicContact CD1-CG 3.98Å; L44-F93 HydrophobicContact CD1-CE1 4.04Å; L44-F93 HydrophobicContact CD1-CZ 4.28Å
45	D	94.4	Very high	92.8	Very high	74 Å²	74	71.8 Å²	71.8	40%	0.396	39%	0.393	S	S	.	.	H	α-helix	trans	-59.5	-45.6	176.9	176.1	62.2	0	0	0	111.4	V41 T48 K49	V41-D45 WeakPolarHBondContact O-CB 3.41Å; V41-D45 PolarHBondContact O-N 3.31Å; D45-T48 PolarHBondContact O-N 3.12Å; D45-K49 VanDerWaalsContact CG-NZ 3.35Å; D45-K49 WeakPolarHBondContact O-CB 3.37Å; D45-K49 VanDerWaalsContact O-CG 3.28Å; D45-K49 WeakPolarHBondContact O-CG 3.25Å; D45-K49 PolarHBondContact O-N 3.19Å; D45-K49 WeakPolarHBondContact OD1-CE 3.32Å; D45-K49 IonicContact OD1-NZ 2.72Å; D45-K49 PolarHBondContact OD1-NZ 2.97Å; D45-K49 VanDerWaalsContact OD2-CE 3.32Å; D45-K49 WeakPolarHBondContact OD2-CE 3.16Å; D45-K49 IonicContact OD2-NZ 3.87Å; D45-K49 PolarHBondContact OD2-NZ 2.89Å
46	E	94.4	Very high	93.1	Very high	38 Å²	38	70.3 Å²	70.3	18%	0.178	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-49.8	178.1	-176.7	165.8	134.5	0	0	112.5	R14 H15 E42 Q43 T48 K49 Q50	R14-E46 IonicContact CZ-OE1 3.83Å; R14-E46 IonicContact CZ-OE2 2.63Å; R14-E46 IonicContact NE-OE1 2.73Å; R14-E46 IonicContact NE-OE2 3.59Å; R14-E46 VanDerWaalsContact NH1-CD 3.29Å; R14-E46 IonicContact NH1-OE1 3.38Å; R14-E46 IonicContact NH1-OE2 3.02Å; R14-E46 PolarHBondContact NH1-OE2 2.94Å; R14-E46 IonicContact NH2-OE1 3.93Å; R14-E46 IonicContact NH2-OE2 3.86Å; R14-E46 PolarHBondContact NH2-OE2 2.87Å; H15-E46 WeakPolarHBondContact CB-OE1 3.44Å; H15-E46 PolarHBondContact N-OE1 3.39Å; E42-E46 WeakPolarHBondContact O-CB 3.41Å; E42-E46 PolarHBondContact O-N 3.33Å; Q43-E46 PolarHBondContact O-N 3.31Å; E46-T48 VanDerWaalsContact C-N 3.33Å; E46-T48 PolarHBondContact O-N 2.77Å; E46-K49 PolarHBondContact O-N 2.8Å; E46-Q50 WeakPolarHBondContact O-CG 3.43Å; E46-Q50 PolarHBondContact O-N 2.74Å; E46-Q50 VanDerWaalsContact O-N 3.12Å
47	I	94	Very high	93.5	Very high	9 Å²	9	68.1 Å²	68.1	5%	0.046	38%	0.378	C	S	.	.	H	α-helix	trans	-62.1	-43.3	179.6	-68.1	166.3	0	0	0	110.4	Q43 L44 K49 Q50 G51 G52 Y80 W83 Y84 F93	Q43-I47 HydrophobicContact CG-CD1 3.88Å; Q43-I47 WeakPolarHBondContact O-CG1 3.36Å; Q43-I47 PolarHBondContact O-N 2.69Å; Q43-I47 VanDerWaalsContact O-N 3.1Å; L44-I47 PolarHBondContact O-N 3.25Å; I47-K49 PolarHBondContact O-N 3.43Å; I47-Q50 CarbonylContact O-C 3.53Å; I47-Q50 PolarHBondContact O-N 3.1Å; I47-Q50 VanDerWaalsContact O-N 3.1Å; I47-G51 PolarHBondContact O-N 3.44Å; I47-G51 VanDerWaalsContact O-N 3.16Å; I47-G52 PolarHBondContact O-N 3.49Å; I47-Y80 WeakPolarHBondContact CD1-OH 3.38Å; I47-W83 HydrophobicContact CD1-CH2 3.88Å; I47-W83 HydrophobicContact CD1-CZ3 3.97Å; I47-Y84 HydrophobicContact CG2-CE2 3.9Å; I47-F93 HydrophobicContact CG2-CD1 4.18Å; I47-F93 HydrophobicContact CG2-CE1 3.7Å; I47-F93 HydrophobicContact CG2-CZ 3.9Å
48	T	93.6	Very high	94	Very high	57 Å²	57	62.8 Å²	62.8	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-41.2	178.8	-54.9	0	0	0	0	111.4	L44 D45 E46 Q50 G51 V92	L44-T48 VanDerWaalsContact O-CB 3.24Å; L44-T48 WeakPolarHBondContact O-CB 3.37Å; L44-T48 PolarHBondContact O-N 3.01Å; L44-T48 PolarHBondContact O-OG1 2.91Å; D45-T48 PolarHBondContact O-N 3.12Å; E46-T48 VanDerWaalsContact C-N 3.33Å; E46-T48 PolarHBondContact O-N 2.77Å; T48-Q50 PolarHBondContact O-N 2.87Å; T48-G51 PolarHBondContact O-N 2.93Å; T48-V92 HydrophobicContact CG2-CG1 3.85Å; T48-V92 WeakPolarHBondContact OG1-CG1 3.48Å
49	K	94.6	Very high	94.3	Very high	146 Å²	146	64 Å²	64	64%	0.635	35%	0.351	S	S	*	.	H	α-helix	trans	-61.7	-28.6	173.8	-79.6	170.4	176.6	165.2	0	113.1	D45 E46 I47 G51	D45-K49 VanDerWaalsContact CG-NZ 3.35Å; D45-K49 WeakPolarHBondContact O-CB 3.37Å; D45-K49 VanDerWaalsContact O-CG 3.28Å; D45-K49 WeakPolarHBondContact O-CG 3.25Å; D45-K49 PolarHBondContact O-N 3.19Å; D45-K49 WeakPolarHBondContact OD1-CE 3.32Å; D45-K49 IonicContact OD1-NZ 2.72Å; D45-K49 PolarHBondContact OD1-NZ 2.97Å; D45-K49 VanDerWaalsContact OD2-CE 3.32Å; D45-K49 WeakPolarHBondContact OD2-CE 3.16Å; D45-K49 IonicContact OD2-NZ 3.87Å; D45-K49 PolarHBondContact OD2-NZ 2.89Å; E46-K49 PolarHBondContact O-N 2.8Å; I47-K49 PolarHBondContact O-N 3.43Å; K49-G51 VanDerWaalsContact C-N 3.33Å
50	Q	93.1	Very high	94.7	Very high	112 Å²	112	62.3 Å²	62.3	52%	0.523	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-3.3	172.8	-59.5	-49	-56.1	0	0	113.4	E46 I47 T48	E46-Q50 WeakPolarHBondContact O-CG 3.43Å; E46-Q50 PolarHBondContact O-N 2.74Å; E46-Q50 VanDerWaalsContact O-N 3.12Å; I47-Q50 CarbonylContact O-C 3.53Å; I47-Q50 PolarHBondContact O-N 3.1Å; I47-Q50 VanDerWaalsContact O-N 3.1Å; T48-Q50 PolarHBondContact O-N 2.87Å
51	G	93.9	Very high	95.1	Very high	55 Å²	55	61.7 Å²	61.7	57%	0.567	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	14.3	-176.9	0	0	0	0	0	114.5	I47 T48 K49 F93	I47-G51 PolarHBondContact O-N 3.44Å; I47-G51 VanDerWaalsContact O-N 3.16Å; T48-G51 PolarHBondContact O-N 2.93Å; K49-G51 VanDerWaalsContact C-N 3.33Å; G51-F93 WeakPolarHBondContact O-CB 3.4Å
52	G	94.8	Very high	95.5	Very high	10 Å²	10	57.4 Å²	57.4	10%	0.103	32%	0.32	C	S	.	.			trans	92.4	-161.1	-171.7	0	0	0	0	0	112.8	I47 Y84	I47-G52 PolarHBondContact O-N 3.49Å; G52-Y84 WeakPolarHBondContact CA-OH 3.2Å
53	L	95.8	Very high	95.7	Very high	57 Å²	57	52.5 Å²	52.5	30%	0.298	30%	0.297	S	S	.	.			trans	-123.2	135.5	176.2	-63.1	172.7	0	0	0	108.4	F56 Y84 A96	L53-F56 HydrophobicContact CD1-CD1 4.09Å; L53-F56 HydrophobicContact CD1-CE1 3.26Å; L53-F56 HydrophobicContact CD1-CE2 4.45Å; L53-F56 HydrophobicContact CD1-CZ 3.49Å; L53-F56 VanDerWaalsContact CD1-CZ 3.49Å; L53-Y84 HydrophobicContact CB-CE2 4.24Å; L53-Y84 HydrophobicContact CD1-CE2 4.24Å; L53-Y84 HydrophobicContact CG-CE2 4.23Å; L53-Y84 PolarHBondContact N-OH 3.17Å; L53-Y84 PolarHBondContact O-OH 3.07Å; L53-A96 HydrophobicContact CB-CB 4.24Å; L53-A96 WeakPolarHBondContact O-CA 3.38Å; L53-A96 WeakPolarHBondContact O-CB 3.44Å
54	D	96.5	Very high	96	Very high	155 Å²	155	52.2 Å²	52.2	83%	0.829	30%	0.296	S	S	*	.	S	Bend	trans	-79.9	-29.2	172.5	-59.6	-59.7	0	0	0	111.8	A96 K97	D54-A96 WeakPolarHBondContact O-CA 3.3Å; D54-K97 PolarHBondContact O-N 3.25Å
55	L	97.2	Very high	96.2	Very high	82 Å²	82	59 Å²	59	43%	0.429	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	138.4	-171.4	-173.2	72.4	0	0	0	112.2	V57 K97 V99	L55-V57 HydrophobicContact CD2-CG2 4.19Å; L55-K97 WeakPolarHBondContact CA-O 3.49Å; L55-K97 HydrophobicContact CD1-CB 3.99Å; L55-K97 HydrophobicContact CD1-CG 4.39Å; L55-K97 WeakPolarHBondContact CD1-O 3.48Å; L55-V99 HydrophobicContact CD1-CB 3.75Å; L55-V99 HydrophobicContact CD1-CG2 3.27Å; L55-V99 HydrophobicContact CD2-CB 4.49Å; L55-V99 HydrophobicContact CD2-CG2 4.46Å; L55-V99 HydrophobicContact CG-CB 4.43Å; L55-V99 HydrophobicContact CG-CG2 4.36Å
56	F	97.8	Very high	96.3	Very high	7 Å²	7	59.3 Å²	59.3	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.8	158.8	-71.5	-71.2	0	0	0	110.6	M13 L53 V58 Y80 I81 Y84 A96 K97 L98 V99	M13-F56 HydrophobicContact CE-CD1 4.12Å; M13-F56 HydrophobicContact CE-CE1 4.16Å; M13-F56 HydrophobicContact CG-CE1 4.37Å; L53-F56 HydrophobicContact CD1-CD1 4.09Å; L53-F56 HydrophobicContact CD1-CE1 3.26Å; L53-F56 HydrophobicContact CD1-CE2 4.45Å; L53-F56 HydrophobicContact CD1-CZ 3.49Å; L53-F56 VanDerWaalsContact CD1-CZ 3.49Å; F56-V58 HydrophobicContact CB-CG2 3.82Å; F56-Y80 HydrophobicContact CE1-CD1 4.06Å; F56-Y80 AromaticContact CE1-CE1 3.58Å; F56-Y80 HydrophobicContact CE1-CE1 3.58Å; F56-Y80 HydrophobicContact CZ-CD1 4.16Å; F56-Y80 AromaticContact CZ-CE1 3.69Å; F56-Y80 HydrophobicContact CZ-CE1 3.69Å; F56-I81 HydrophobicContact CD2-CG1 4.18Å; F56-I81 HydrophobicContact CE2-CG1 4.24Å; F56-I81 HydrophobicContact CG-CG1 4.42Å; F56-Y84 AromaticContact CE2-CD1 3.85Å; F56-Y84 HydrophobicContact CE2-CD1 3.85Å; F56-Y84 HydrophobicContact CE2-CD2 4.34Å; F56-Y84 HydrophobicContact CE2-CE1 4.16Å; F56-Y84 AromaticContact CE2-CG 3.98Å; F56-Y84 HydrophobicContact CE2-CG 3.98Å; F56-Y84 HydrophobicContact CZ-CD1 4.15Å; F56-Y84 AromaticContact CZ-CD2 3.82Å; F56-Y84 HydrophobicContact CZ-CD2 3.82Å; F56-Y84 HydrophobicContact CZ-CE2 4.19Å; F56-Y84 AromaticContact CZ-CG 3.81Å; F56-Y84 HydrophobicContact CZ-CG 3.81Å; F56-A96 HydrophobicContact CD2-CB 3.45Å; F56-A96 VanDerWaalsContact CD2-CB 3.45Å; F56-A96 HydrophobicContact CE2-CB 3.49Å; F56-A96 VanDerWaalsContact CE2-CB 3.49Å; F56-A96 HydrophobicContact CG-CB 4.44Å; F56-A96 HydrophobicContact CZ-CB 4.49Å; F56-K97 PolarHBondContact N-O 3.25Å; F56-L98 HydrophobicContact CB-CD2 3.9Å; F56-L98 HydrophobicContact CD2-CD2 3.54Å; F56-L98 HydrophobicContact CG-CD2 4.14Å; F56-V99 PolarHBondContact O-N 3.23Å
57	V	97.9	Very high	96.5	Very high	83 Å²	83	57.7 Å²	57.7	50%	0.503	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	104.9	162.1	-177.8	0	0	0	0	107.6	L55 V99 F101	L55-V57 HydrophobicContact CD2-CG2 4.19Å; V57-V99 CarbonylContact C-O 3.56Å; V57-V99 WeakPolarHBondContact CA-O 3.19Å; V57-F101 HydrophobicContact CG1-CD2 4Å; V57-F101 HydrophobicContact CG1-CE2 4.23Å
58	V	97.9	Very high	96.7	Very high	2 Å²	2	60 Å²	60	1%	0.012	33%	0.332	C	S	.	.			trans	-98.9	117.8	-171.9	-171.2	0	0	0	0	109.8	F56 Y77 I81 L98 V99 A100 I120	F56-V58 HydrophobicContact CB-CG2 3.82Å; V58-Y77 HydrophobicContact CG1-CD1 3.83Å; V58-Y77 HydrophobicContact CG1-CG 4.08Å; V58-I81 HydrophobicContact CG2-CD1 3.92Å; V58-L98 HydrophobicContact CG2-CB 4.33Å; V58-L98 HydrophobicContact CG2-CD2 4.48Å; V58-V99 PolarHBondContact N-O 2.9Å; V58-A100 WeakPolarHBondContact O-CB 3.4Å; V58-I120 HydrophobicContact CB-CD1 3.67Å; V58-I120 HydrophobicContact CG1-CD1 3.94Å; V58-I120 HydrophobicContact CG2-CD1 3.97Å
59	P	97.4	Very high	96.9	Very high	66 Å²	66	58.2 Å²	58.2	43%	0.429	32%	0.318	S	S	.	.			trans	-79.7	157	177.1	34	-34.5	0	0	0	112.1	R69 Y77	P59-R69 PolarHBondContact O-NH1 3.48Å; P59-Y77 WeakPolarHBondContact CD-OH 3.41Å; P59-Y77 HydrophobicContact CG-CD2 4.19Å; P59-Y77 HydrophobicContact CG-CE1 4.1Å; P59-Y77 HydrophobicContact CG-CE2 3.41Å; P59-Y77 VanDerWaalsContact CG-CE2 3.41Å; P59-Y77 WeakPolarHBondContact CG-OH 3.33Å
60	G	97.3	Very high	97.1	Very high	20 Å²	20	55.3 Å²	55.3	21%	0.206	31%	0.309	C	S	.	.			trans	-158.2	162.7	178.4	0	0	0	0	0	112.3	L70 Q106	G60-L70 CarbonylContact C-O 3.6Å; G60-L70 WeakPolarHBondContact CA-O 3.39Å; G60-Q106 PolarHBondContact O-NE2 2.75Å
61	L	97.8	Very high	97.3	Very high	75 Å²	75	51 Å²	51	39%	0.393	30%	0.295	S	S	.	.	S	Bend	trans	-84.6	-39.9	170.8	-66	-179.2	0	0	0	111.1	L70 G71 R72 Q106	L61-L70 HydrophobicContact CB-CG 4.45Å; L61-L70 PolarHBondContact N-O 3.45Å; L61-G71 WeakPolarHBondContact CD1-O 3.48Å; L61-R72 HydrophobicContact CD1-CG 4.24Å; L61-R72 HydrophobicContact CD2-CG 4.23Å; L61-R72 HydrophobicContact CG-CG 4.18Å; L61-Q106 PolarHBondContact O-NE2 3.02Å; L61-Q106 VanDerWaalsContact O-NE2 3.07Å
62	A	98.4	Very high	97.3	Very high	12 Å²	12	58.9 Å²	58.9	10%	0.099	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.3	176.6	0	0	0	0	0	111	L70 Q106 V108 I111	A62-L70 HydrophobicContact CB-CB 4.08Å; A62-L70 HydrophobicContact CB-CD2 4.34Å; A62-L70 PolarHBondContact O-N 2.89Å; A62-Q106 CarbonylContact C-O 3.46Å; A62-Q106 WeakPolarHBondContact CA-O 3.47Å; A62-V108 HydrophobicContact CB-CG1 4.28Å; A62-V108 HydrophobicContact CB-CG2 4.15Å; A62-I111 HydrophobicContact CB-CD1 4.16Å; A62-I111 WeakPolarHBondContact O-CD1 3.3Å
63	F	98.6	Very high	97.2	Very high	1 Å²	1	62.1 Å²	62.1	0%	0.004	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.8	177.7	-58.1	-92.2	0	0	0	110.4	H68 R69 A100 A102 Q106 I107 V108 I120 L123	F63-H68 CarbonylContact C-O 3.54Å; F63-H68 VanDerWaalsContact CA-O 3.24Å; F63-H68 WeakPolarHBondContact CA-O 3.42Å; F63-R69 HydrophobicContact CD1-CB 3.97Å; F63-R69 HydrophobicContact CD1-CG 3.92Å; F63-R69 HydrophobicContact CE1-CB 4.03Å; F63-R69 HydrophobicContact CE1-CG 3.52Å; F63-R69 HydrophobicContact CZ-CG 4.25Å; F63-A100 HydrophobicContact CD1-CB 4.06Å; F63-A100 HydrophobicContact CE1-CB 3.35Å; F63-A100 HydrophobicContact CZ-CB 3.62Å; F63-A102 HydrophobicContact CD2-CB 3.61Å; F63-A102 HydrophobicContact CE2-CB 3.96Å; F63-A102 HydrophobicContact CG-CB 4.45Å; F63-Q106 PolarHBondContact N-O 2.86Å; F63-I107 HydrophobicContact CB-CD1 4.29Å; F63-I107 WeakPolarHBondContact O-CA 3.41Å; F63-V108 PolarHBondContact O-N 3.04Å; F63-I120 HydrophobicContact CD1-CG1 4.24Å; F63-I120 HydrophobicContact CE1-CG1 4.13Å; F63-L123 HydrophobicContact CB-CD1 4.05Å; F63-L123 HydrophobicContact CB-CD2 3.88Å; F63-L123 HydrophobicContact CD1-CD1 4.09Å; F63-L123 HydrophobicContact CD2-CD1 4.3Å; F63-L123 HydrophobicContact CG-CD1 3.89Å
64	T	98.4	Very high	97.1	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.025	34%	0.341	C	S	.	.			trans	-96.8	157.5	164.6	63.4	0	0	0	0	109.7	S66 G67 H68 V108 I111	T64-S66 PolarHBondContact O-N 3.38Å; T64-S66 VanDerWaalsContact O-N 3.13Å; T64-S66 PolarHBondContact OG1-OG 3.08Å; T64-G67 PolarHBondContact O-N 3.24Å; T64-G67 PolarHBondContact OG1-N 2.96Å; T64-H68 HydrophobicContact CG2-CB 3.97Å; T64-H68 PolarHBondContact N-O 3.4Å; T64-H68 VanDerWaalsContact OG1-CB 3.27Å; T64-H68 WeakPolarHBondContact OG1-CB 3.43Å; T64-H68 PolarHBondContact OG1-N 2.83Å; T64-H68 PolarHBondContact OG1-ND1 3.07Å; T64-V108 WeakPolarHBondContact CA-O 3.4Å; T64-V108 HydrophobicContact CG2-CG2 4.4Å; T64-I111 HydrophobicContact CG2-CB 4.12Å; T64-I111 HydrophobicContact CG2-CD1 3.96Å; T64-I111 HydrophobicContact CG2-CG1 3.78Å
65	R	96.8	Very high	96.9	Very high	175 Å²	175	54.7 Å²	54.7	66%	0.66	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.2	173.5	-64.5	-169.8	-174.8	-80.3	-5.5	113.4	G67 E104 I107	R65-G67 VanDerWaalsContact C-N 3.34Å; R65-E104 IonicContact NH2-OE1 3.77Å; R65-E104 PolarHBondContact NH2-OE1 3.36Å; R65-I107 HydrophobicContact CG-CG2 3.95Å
66	S	97	Very high	96.8	Very high	79 Å²	79	56.6 Å²	56.6	55%	0.552	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	2.9	173.1	56.4	0	0	0	0	114	T64 H68 I119	T64-S66 PolarHBondContact O-N 3.38Å; T64-S66 VanDerWaalsContact O-N 3.13Å; T64-S66 PolarHBondContact OG1-OG 3.08Å; S66-H68 PolarHBondContact OG-ND1 2.7Å; S66-I119 WeakPolarHBondContact O-CG2 3.16Å
67	G	97.8	Very high	96.7	Very high	4 Å²	4	59.2 Å²	59.2	4%	0.041	33%	0.327	C	S	.	.	S	Bend	trans	93.3	-1.1	172.5	0	0	0	0	0	115.6	T64 R65 I120	T64-G67 PolarHBondContact O-N 3.24Å; T64-G67 PolarHBondContact OG1-N 2.96Å; R65-G67 VanDerWaalsContact C-N 3.34Å; G67-I120 WeakPolarHBondContact O-CB 3.33Å; G67-I120 PolarHBondContact O-N 3.22Å
68	H	98.3	Very high	96.6	Very high	59 Å²	59	55.9 Å²	55.9	27%	0.273	31%	0.307	S	S	.	.			trans	-60.2	146	169	-57	83.4	0	0	0	110	F63 T64 S66 I111 S113 I119	F63-H68 CarbonylContact C-O 3.54Å; F63-H68 VanDerWaalsContact CA-O 3.24Å; F63-H68 WeakPolarHBondContact CA-O 3.42Å; T64-H68 HydrophobicContact CG2-CB 3.97Å; T64-H68 PolarHBondContact N-O 3.4Å; T64-H68 VanDerWaalsContact OG1-CB 3.27Å; T64-H68 WeakPolarHBondContact OG1-CB 3.43Å; T64-H68 PolarHBondContact OG1-N 2.83Å; T64-H68 PolarHBondContact OG1-ND1 3.07Å; S66-H68 PolarHBondContact OG-ND1 2.7Å; H68-I111 HydrophobicContact CB-CB 4.22Å; H68-S113 PolarHBondContact CD2-OG 2.76Å; H68-I119 HydrophobicContact CB-CD1 4.43Å; H68-I119 WeakPolarHBondContact CD2-CD1 3.35Å
69	R	98.3	Very high	96.4	Very high	18 Å²	18	60.4 Å²	60.4	7%	0.068	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136	-172.8	177.8	-174.8	70	77.9	11.9	110.9	P59 F63 D78 I120	P59-R69 PolarHBondContact O-NH1 3.48Å; F63-R69 HydrophobicContact CD1-CB 3.97Å; F63-R69 HydrophobicContact CD1-CG 3.92Å; F63-R69 HydrophobicContact CE1-CB 4.03Å; F63-R69 HydrophobicContact CE1-CG 3.52Å; F63-R69 HydrophobicContact CZ-CG 4.25Å; R69-D78 IonicContact CZ-OD1 2.86Å; R69-D78 IonicContact CZ-OD2 2.9Å; R69-D78 IonicContact NH2-OD1 3.64Å; R69-D78 PolarHBondContact NH2-OD1 3.23Å; R69-D78 IonicContact NH2-OD2 3.99Å; R69-D78 PolarHBondContact NH2-OD2 3.02Å; R69-I120 HydrophobicContact CB-CG1 4.3Å
70	L	98.1	Very high	96.3	Very high	86 Å²	86	57.2 Å²	57.2	45%	0.45	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.6	167.8	-179.6	62.7	0	0	0	109.3	G60 L61 A62 I111	G60-L70 CarbonylContact C-O 3.6Å; G60-L70 WeakPolarHBondContact CA-O 3.39Å; L61-L70 HydrophobicContact CB-CG 4.45Å; L61-L70 PolarHBondContact N-O 3.45Å; A62-L70 HydrophobicContact CB-CB 4.08Å; A62-L70 HydrophobicContact CB-CD2 4.34Å; A62-L70 PolarHBondContact O-N 2.89Å; L70-I111 HydrophobicContact CB-CD1 4.07Å; L70-I111 HydrophobicContact CB-CG2 4.19Å
71	G	96.7	Very high	96.2	Very high	22 Å²	22	56.5 Å²	56.5	23%	0.227	29%	0.294	C	S	.	.			trans	-83.3	-168.2	173	0	0	0	0	0	113.5	L61 G73	L61-G71 WeakPolarHBondContact CD1-O 3.48Å; G71-G73 PolarHBondContact O-N 3.34Å
72	R	94.9	Very high	96.1	Very high	220 Å²	220	58.6 Å²	58.6	83%	0.83	30%	0.302	S	S	*	.	S	Bend	trans	-85.1	13.4	173.3	-61.8	-176.3	-178.3	-81.7	-2	114	L61	L61-R72 HydrophobicContact CD1-CG 4.24Å; L61-R72 HydrophobicContact CD2-CG 4.23Å; L61-R72 HydrophobicContact CG-CG 4.18Å
73	G	92.9	Very high	95.8	Very high	78 Å²	78	59.2 Å²	59.2	80%	0.804	30%	0.302	S	S	*	.	S	Bend	trans	88.5	-8.3	177.5	0	0	0	0	0	116.8	G71	G71-G73 PolarHBondContact O-N 3.34Å
74	G	92.3	Very high	95.6	Very high	29 Å²	29	59.2 Å²	59.2	30%	0.299	30%	0.302	S	S	.	.	S	Bend	trans	-84.1	-8.4	-179.8	0	0	0	0	0	116	Y76 R79	G74-Y76 PolarHBondContact O-N 2.94Å; G74-Y76 VanDerWaalsContact O-N 3.07Å; G74-R79 PolarHBondContact O-NH2 2.76Å
75	G	93.1	Very high	95.4	Very high	27 Å²	27	59.9 Å²	59.9	28%	0.278	31%	0.306	S	S	.	.			trans	56.7	23.6	-178.4	0	0	0	0	0	115.1	R79	G75-R79 WeakPolarHBondContact O-CB 3.17Å; G75-R79 WeakPolarHBondContact O-CG 3.37Å; G75-R79 PolarHBondContact O-N 2.72Å; G75-R79 VanDerWaalsContact O-N 3.17Å; G75-R79 PolarHBondContact O-NE 2.63Å
76	Y	94.4	Very high	95.2	Very high	122 Å²	122	52.9 Å²	52.9	48%	0.478	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-49.8	-176.1	-72.7	-91.9	0	0	0	111.6	P10 M11 G74 Y80	P10-Y76 HydrophobicContact CB-CD1 3.7Å; P10-Y76 HydrophobicContact CB-CE1 3.61Å; P10-Y76 HydrophobicContact CG-CD1 3.37Å; P10-Y76 HydrophobicContact CG-CE1 3.77Å; P10-Y76 HydrophobicContact CG-CG 4.1Å; M11-Y76 HydrophobicContact CB-CD1 4.3Å; G74-Y76 PolarHBondContact O-N 2.94Å; G74-Y76 VanDerWaalsContact O-N 3.07Å; Y76-Y80 VanDerWaalsContact O-CB 3.27Å; Y76-Y80 WeakPolarHBondContact O-CB 3.45Å; Y76-Y80 PolarHBondContact O-N 3.43Å
77	Y	96.6	Very high	95.1	Very high	62 Å²	62	50 Å²	50	24%	0.243	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-42	-178.8	-79.3	-90.6	0	0	0	112.4	M11 M13 V58 P59 Y80 I81	M11-Y77 HydrophobicContact CE-CE1 4.16Å; M11-Y77 HydrophobicContact CE-CE2 4.31Å; M11-Y77 HydrophobicContact SD-CG 4.49Å; M13-Y77 HydrophobicContact CE-CE1 4.03Å; V58-Y77 HydrophobicContact CG1-CD1 3.83Å; V58-Y77 HydrophobicContact CG1-CG 4.08Å; P59-Y77 WeakPolarHBondContact CD-OH 3.41Å; P59-Y77 HydrophobicContact CG-CD2 4.19Å; P59-Y77 HydrophobicContact CG-CE1 4.1Å; P59-Y77 HydrophobicContact CG-CE2 3.41Å; P59-Y77 VanDerWaalsContact CG-CE2 3.41Å; P59-Y77 WeakPolarHBondContact CG-OH 3.33Å; Y77-Y80 PolarHBondContact O-N 2.93Å; Y77-I81 HydrophobicContact CD1-CD1 4.47Å; Y77-I81 WeakPolarHBondContact O-CB 3.29Å; Y77-I81 WeakPolarHBondContact O-CD1 3.27Å; Y77-I81 VanDerWaalsContact O-CG1 3.29Å; Y77-I81 WeakPolarHBondContact O-CG1 3.38Å; Y77-I81 PolarHBondContact O-N 2.91Å
78	D	95.3	Very high	94.9	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.064	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-50.2	179	-52.6	-60.9	0	0	0	110.4	R69 Y80 I81 Q82 L118	R69-D78 IonicContact CZ-OD1 2.86Å; R69-D78 IonicContact CZ-OD2 2.9Å; R69-D78 IonicContact NH2-OD1 3.64Å; R69-D78 PolarHBondContact NH2-OD1 3.23Å; R69-D78 IonicContact NH2-OD2 3.99Å; R69-D78 PolarHBondContact NH2-OD2 3.02Å; D78-Y80 PolarHBondContact O-N 3.02Å; D78-I81 PolarHBondContact O-N 2.85Å; D78-Q82 WeakPolarHBondContact O-CB 3.23Å; D78-Q82 PolarHBondContact O-N 3.4Å; D78-L118 PolarHBondContact OD1-N 3.25Å
79	R	94.6	Very high	94.7	Very high	97 Å²	97	55.4 Å²	55.4	37%	0.366	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-41.9	176.7	-71.5	-173.9	-75.9	-176.9	-5.4	112.9	G74 G75 W83	G74-R79 PolarHBondContact O-NH2 2.76Å; G75-R79 WeakPolarHBondContact O-CB 3.17Å; G75-R79 WeakPolarHBondContact O-CG 3.37Å; G75-R79 PolarHBondContact O-N 2.72Å; G75-R79 VanDerWaalsContact O-N 3.17Å; G75-R79 PolarHBondContact O-NE 2.63Å; R79-W83 WeakPolarHBondContact O-CB 3.19Å; R79-W83 PolarHBondContact O-N 3.01Å
80	Y	94.8	Very high	94.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-48.9	178.8	-174.1	-87.2	0	0	0	112.7	P9 M11 M13 I47 F56 Y76 Y77 D78 Q82 W83 Y84	P9-Y80 HydrophobicContact CB-CD2 3.91Å; P9-Y80 HydrophobicContact CB-CG 4.5Å; P9-Y80 HydrophobicContact CG-CD2 4.35Å; M11-Y80 HydrophobicContact CG-CD2 3.33Å; M11-Y80 HydrophobicContact CG-CE2 4.2Å; M11-Y80 HydrophobicContact CG-CG 3.73Å; M11-Y80 WeakPolarHBondContact O-CD2 3.43Å; M11-Y80 WeakPolarHBondContact O-CE2 3.47Å; M11-Y80 HydrophobicContact SD-CD2 4.17Å; M11-Y80 HydrophobicContact SD-CG 3.97Å; M13-Y80 VanDerWaalsContact CB-OH 3.29Å; M13-Y80 WeakPolarHBondContact CB-OH 3.47Å; M13-Y80 HydrophobicContact CE-CD1 4.45Å; M13-Y80 HydrophobicContact CE-CE1 4.39Å; M13-Y80 HydrophobicContact CG-CD1 4.46Å; M13-Y80 HydrophobicContact CG-CE1 3.62Å; M13-Y80 HydrophobicContact CG-CE2 3.97Å; M13-Y80 VanDerWaalsContact CG-OH 3.23Å; M13-Y80 WeakPolarHBondContact CG-OH 3.48Å; I47-Y80 WeakPolarHBondContact CD1-OH 3.38Å; F56-Y80 HydrophobicContact CE1-CD1 4.06Å; F56-Y80 AromaticContact CE1-CE1 3.58Å; F56-Y80 HydrophobicContact CE1-CE1 3.58Å; F56-Y80 HydrophobicContact CZ-CD1 4.16Å; F56-Y80 AromaticContact CZ-CE1 3.69Å; F56-Y80 HydrophobicContact CZ-CE1 3.69Å; Y76-Y80 VanDerWaalsContact O-CB 3.27Å; Y76-Y80 WeakPolarHBondContact O-CB 3.45Å; Y76-Y80 PolarHBondContact O-N 3.43Å; Y77-Y80 PolarHBondContact O-N 2.93Å; D78-Y80 PolarHBondContact O-N 3.02Å; Y80-Q82 VanDerWaalsContact C-N 3.34Å; Y80-W83 HydrophobicContact CD2-CE3 4.36Å; Y80-W83 HydrophobicContact CE1-CZ3 4.4Å; Y80-W83 HydrophobicContact CE2-CE3 4.17Å; Y80-W83 HydrophobicContact CE2-CZ3 4.01Å; Y80-W83 AromaticContact CZ-CZ3 3.81Å; Y80-W83 WeakPolarHBondContact O-CB 3.23Å; Y80-W83 PolarHBondContact O-N 2.78Å; Y80-Y84 WeakPolarHBondContact O-CB 3.29Å; Y80-Y84 PolarHBondContact O-N 2.88Å
81	I	95.6	Very high	94.2	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-72.7	-33.2	-177	-64.1	161.3	0	0	0	110.1	F56 V58 Y77 D78 Y84 T85 L98 L118	F56-I81 HydrophobicContact CD2-CG1 4.18Å; F56-I81 HydrophobicContact CE2-CG1 4.24Å; F56-I81 HydrophobicContact CG-CG1 4.42Å; V58-I81 HydrophobicContact CG2-CD1 3.92Å; Y77-I81 HydrophobicContact CD1-CD1 4.47Å; Y77-I81 WeakPolarHBondContact O-CB 3.29Å; Y77-I81 WeakPolarHBondContact O-CD1 3.27Å; Y77-I81 VanDerWaalsContact O-CG1 3.29Å; Y77-I81 WeakPolarHBondContact O-CG1 3.38Å; Y77-I81 PolarHBondContact O-N 2.91Å; D78-I81 PolarHBondContact O-N 2.85Å; I81-Y84 PolarHBondContact O-N 3.07Å; I81-T85 VanDerWaalsContact O-CB 3.25Å; I81-T85 WeakPolarHBondContact O-CB 3.42Å; I81-T85 PolarHBondContact O-N 3.35Å; I81-T85 PolarHBondContact O-OG1 2.85Å; I81-L98 HydrophobicContact CD1-CD1 4.27Å; I81-L98 HydrophobicContact CD1-CD2 3.97Å; I81-L98 HydrophobicContact CG1-CD2 4.39Å; I81-L98 HydrophobicContact CG2-CD1 4.06Å; I81-L98 HydrophobicContact CG2-CD2 3.86Å; I81-L118 HydrophobicContact CB-CD1 3.38Å; I81-L118 HydrophobicContact CD1-CD1 4.26Å; I81-L118 HydrophobicContact CG1-CD1 4.42Å; I81-L118 HydrophobicContact CG2-CD1 3.39Å
82	Q	94.3	Very high	93.8	Very high	118 Å²	118	61.3 Å²	61.3	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-60.5	-47.4	170.5	-175.7	179.8	16.7	0	0	111	D78 Y80 T85 G86	D78-Q82 WeakPolarHBondContact O-CB 3.23Å; D78-Q82 PolarHBondContact O-N 3.4Å; Y80-Q82 VanDerWaalsContact C-N 3.34Å; Q82-T85 PolarHBondContact O-N 3.41Å; Q82-G86 PolarHBondContact O-N 3.45Å
83	W	93.2	Very high	93.7	Very high	26 Å²	26	51.3 Å²	51.3	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-50.5	173.5	165	73.4	0	0	0	112	P9 Y40 Q43 L44 I47 R79 Y80 T85 G86 Q87	P9-W83 HydrophobicContact CB-CB 4.26Å; P9-W83 HydrophobicContact CB-CG 4.47Å; P9-W83 HydrophobicContact CG-CB 4.18Å; P9-W83 HydrophobicContact CG-CD2 3.84Å; P9-W83 HydrophobicContact CG-CE3 4.03Å; P9-W83 HydrophobicContact CG-CG 3.87Å; Y40-W83 AromaticContact CE2-CE2 3.85Å; Y40-W83 AromaticContact CE2-CZ2 3.98Å; Y40-W83 HydrophobicContact CE2-CZ2 3.98Å; Y40-W83 AromaticContact CE2-NE1 3.31Å; Y40-W83 VanDerWaalsContact CE2-NE1 3.31Å; Q43-W83 HydrophobicContact CG-CH2 4.14Å; L44-W83 HydrophobicContact CB-CZ2 4.37Å; L44-W83 HydrophobicContact CD1-CH2 4.47Å; L44-W83 HydrophobicContact CD1-CZ2 4.1Å; I47-W83 HydrophobicContact CD1-CH2 3.88Å; I47-W83 HydrophobicContact CD1-CZ3 3.97Å; R79-W83 WeakPolarHBondContact O-CB 3.19Å; R79-W83 PolarHBondContact O-N 3.01Å; Y80-W83 HydrophobicContact CD2-CE3 4.36Å; Y80-W83 HydrophobicContact CE1-CZ3 4.4Å; Y80-W83 HydrophobicContact CE2-CE3 4.17Å; Y80-W83 HydrophobicContact CE2-CZ3 4.01Å; Y80-W83 AromaticContact CZ-CZ3 3.81Å; Y80-W83 WeakPolarHBondContact O-CB 3.23Å; Y80-W83 PolarHBondContact O-N 2.78Å; W83-T85 VanDerWaalsContact C-N 3.32Å; W83-T85 PolarHBondContact O-N 3.29Å; W83-G86 WeakPolarHBondContact O-CA 3.24Å; W83-G86 PolarHBondContact O-N 3.13Å; W83-Q87 HydrophobicContact CZ2-CG 4Å; W83-Q87 PolarHBondContact O-N 3.4Å; W83-Q87 VanDerWaalsContact O-N 3.07Å
84	Y	94.6	Very high	93.8	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-44.4	179.3	-179	-82	0	0	0	111.3	I47 G52 L53 F56 Y80 I81 G86 Q87 C88 F93 Q94 A96	I47-Y84 HydrophobicContact CG2-CE2 3.9Å; G52-Y84 WeakPolarHBondContact CA-OH 3.2Å; L53-Y84 HydrophobicContact CB-CE2 4.24Å; L53-Y84 HydrophobicContact CD1-CE2 4.24Å; L53-Y84 HydrophobicContact CG-CE2 4.23Å; L53-Y84 PolarHBondContact N-OH 3.17Å; L53-Y84 PolarHBondContact O-OH 3.07Å; F56-Y84 AromaticContact CE2-CD1 3.85Å; F56-Y84 HydrophobicContact CE2-CD1 3.85Å; F56-Y84 HydrophobicContact CE2-CD2 4.34Å; F56-Y84 HydrophobicContact CE2-CE1 4.16Å; F56-Y84 AromaticContact CE2-CG 3.98Å; F56-Y84 HydrophobicContact CE2-CG 3.98Å; F56-Y84 HydrophobicContact CZ-CD1 4.15Å; F56-Y84 AromaticContact CZ-CD2 3.82Å; F56-Y84 HydrophobicContact CZ-CD2 3.82Å; F56-Y84 HydrophobicContact CZ-CE2 4.19Å; F56-Y84 AromaticContact CZ-CG 3.81Å; F56-Y84 HydrophobicContact CZ-CG 3.81Å; Y80-Y84 WeakPolarHBondContact O-CB 3.29Å; Y80-Y84 PolarHBondContact O-N 2.88Å; I81-Y84 PolarHBondContact O-N 3.07Å; Y84-G86 VanDerWaalsContact C-N 3.29Å; Y84-G86 PolarHBondContact O-N 2.79Å; Y84-Q87 WeakPolarHBondContact O-CB 3.27Å; Y84-Q87 PolarHBondContact O-N 2.94Å; Y84-Q87 VanDerWaalsContact O-N 3.11Å; Y84-C88 WeakPolarHBondContact CE1-SG 3.36Å; Y84-C88 PolarHBondContact O-N 2.84Å; Y84-C88 PolarHBondContact O-SG 3.46Å; Y84-F93 HydrophobicContact CD1-CE2 4.14Å; Y84-F93 AromaticContact CD2-CE2 3.66Å; Y84-F93 HydrophobicContact CD2-CE2 3.66Å; Y84-F93 HydrophobicContact CD2-CZ 4.09Å; Y84-F93 AromaticContact CE1-CD2 3.94Å; Y84-F93 HydrophobicContact CE1-CD2 3.94Å; Y84-F93 AromaticContact CE1-CE2 3.82Å; Y84-F93 HydrophobicContact CE1-CE2 3.82Å; Y84-F93 AromaticContact CE2-CD2 3.81Å; Y84-F93 HydrophobicContact CE2-CD2 3.81Å; Y84-F93 AromaticContact CE2-CE2 3.32Å; Y84-F93 HydrophobicContact CE2-CE2 3.32Å; Y84-F93 AromaticContact CE2-CZ 3.9Å; Y84-F93 HydrophobicContact CE2-CZ 3.9Å; Y84-F93 HydrophobicContact CG-CE2 4.04Å; Y84-F93 AromaticContact CZ-CD2 3.43Å; Y84-F93 VanDerWaalsContact CZ-CD2 3.43Å; Y84-F93 AromaticContact CZ-CE2 3.37Å; Y84-F93 VanDerWaalsContact OH-CD2 3.28Å; Y84-F93 WeakPolarHBondContact OH-CD2 3.41Å; Y84-Q94 PolarHBondContact OH-O 3.14Å; Y84-A96 HydrophobicContact CE1-CB 4.06Å
85	T	93.9	Very high	93.9	Very high	17 Å²	17	59.9 Å²	59.9	10%	0.104	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-36.7	176.2	-58.2	0	0	0	0	111.2	I81 Q82 W83 Q87 C88 H89	I81-T85 VanDerWaalsContact O-CB 3.25Å; I81-T85 WeakPolarHBondContact O-CB 3.42Å; I81-T85 PolarHBondContact O-N 3.35Å; I81-T85 PolarHBondContact O-OG1 2.85Å; Q82-T85 PolarHBondContact O-N 3.41Å; W83-T85 VanDerWaalsContact C-N 3.32Å; W83-T85 PolarHBondContact O-N 3.29Å; T85-Q87 VanDerWaalsContact C-N 3.35Å; T85-Q87 PolarHBondContact O-N 2.73Å; T85-C88 VanDerWaalsContact O-CB 3.31Å; T85-C88 WeakPolarHBondContact O-CB 3.29Å; T85-C88 PolarHBondContact O-N 3Å; T85-C88 VanDerWaalsContact O-N 3.13Å; T85-H89 PolarHBondContact O-N 2.91Å; T85-H89 PolarHBondContact O-ND1 2.94Å
86	G	93.8	Very high	94.1	Very high	29 Å²	29	58.7 Å²	58.7	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-58.3	-43.6	170.9	0	0	0	0	0	112.8	Q82 W83 Y84 C88 H89 L90	Q82-G86 PolarHBondContact O-N 3.45Å; W83-G86 WeakPolarHBondContact O-CA 3.24Å; W83-G86 PolarHBondContact O-N 3.13Å; Y84-G86 VanDerWaalsContact C-N 3.29Å; Y84-G86 PolarHBondContact O-N 2.79Å; G86-C88 VanDerWaalsContact C-N 3.28Å; G86-C88 PolarHBondContact O-N 2.8Å; G86-H89 PolarHBondContact O-N 2.91Å; G86-L90 PolarHBondContact O-N 3.02Å
87	Q	93.6	Very high	94.3	Very high	19 Å²	19	57.6 Å²	57.6	9%	0.089	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-33.3	174.2	-57.3	-56.5	-53.4	0	0	112.2	Y40 L44 W83 Y84 T85 L90 G91 V92 F93	Y40-Q87 PolarHBondContact OH-NE2 3.37Å; L44-Q87 HydrophobicContact CD1-CG 3.98Å; W83-Q87 HydrophobicContact CZ2-CG 4Å; W83-Q87 PolarHBondContact O-N 3.4Å; W83-Q87 VanDerWaalsContact O-N 3.07Å; Y84-Q87 WeakPolarHBondContact O-CB 3.27Å; Y84-Q87 PolarHBondContact O-N 2.94Å; Y84-Q87 VanDerWaalsContact O-N 3.11Å; T85-Q87 VanDerWaalsContact C-N 3.35Å; T85-Q87 PolarHBondContact O-N 2.73Å; Q87-L90 PolarHBondContact O-N 2.8Å; Q87-G91 PolarHBondContact O-N 2.76Å; Q87-V92 HydrophobicContact CB-CB 4.45Å; Q87-V92 HydrophobicContact CB-CG2 4.4Å; Q87-V92 WeakPolarHBondContact O-CB 3.24Å; Q87-V92 WeakPolarHBondContact O-CG2 3.36Å; Q87-V92 PolarHBondContact O-N 2.77Å; Q87-F93 HydrophobicContact CB-CE1 4.25Å; Q87-F93 HydrophobicContact CB-CE2 3.66Å; Q87-F93 HydrophobicContact CB-CZ 3.39Å; Q87-F93 HydrophobicContact CG-CZ 4.05Å
88	C	94.7	Very high	94.4	Very high	18 Å²	18	54.8 Å²	54.8	12%	0.122	28%	0.279	C	S	.	.	H	α-helix	trans	-65.5	-41.3	175	-57.4	0	0	0	0	112.1	Y84 T85 G86 L90 G91 F93 Q94	Y84-C88 WeakPolarHBondContact CE1-SG 3.36Å; Y84-C88 PolarHBondContact O-N 2.84Å; Y84-C88 PolarHBondContact O-SG 3.46Å; T85-C88 VanDerWaalsContact O-CB 3.31Å; T85-C88 WeakPolarHBondContact O-CB 3.29Å; T85-C88 PolarHBondContact O-N 3Å; T85-C88 VanDerWaalsContact O-N 3.13Å; G86-C88 VanDerWaalsContact C-N 3.28Å; G86-C88 PolarHBondContact O-N 2.8Å; C88-L90 PolarHBondContact O-N 3.07Å; C88-G91 PolarHBondContact O-N 3.06Å; C88-F93 VanDerWaalsContact CA-O 3.27Å; C88-F93 WeakPolarHBondContact CA-O 3.4Å; C88-F93 WeakPolarHBondContact CB-O 3.25Å; C88-F93 VanDerWaalsContact SG-CD2 3.59Å; C88-Q94 PolarHBondContact SG-O 3.48Å; C88-Q94 VanDerWaalsContact SG-O 3.35Å
89	H	93.6	Very high	94.5	Very high	158 Å²	158	54.6 Å²	54.6	73%	0.731	28%	0.278	S	S	*	.	H	α-helix	trans	-64.9	-25.1	176	-64.1	144.9	0	0	0	113.2	T85 G86 G91	T85-H89 PolarHBondContact O-N 2.91Å; T85-H89 PolarHBondContact O-ND1 2.94Å; G86-H89 PolarHBondContact O-N 2.91Å; H89-G91 PolarHBondContact O-N 2.62Å
90	L	93.7	Very high	94.7	Very high	132 Å²	132	50 Å²	50	69%	0.691	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-1.7	172	-63.1	176.1	0	0	0	113.2	G86 Q87 C88 V92	G86-L90 PolarHBondContact O-N 3.02Å; Q87-L90 PolarHBondContact O-N 2.8Å; C88-L90 PolarHBondContact O-N 3.07Å; L90-V92 HydrophobicContact CB-CG2 4.16Å
91	G	92.4	Very high	94.9	Very high	63 Å²	63	56 Å²	56	65%	0.649	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	16.6	178.3	0	0	0	0	0	114.6	Q87 C88 H89	Q87-G91 PolarHBondContact O-N 2.76Å; C88-G91 PolarHBondContact O-N 3.06Å; H89-G91 PolarHBondContact O-N 2.62Å
92	V	87.8	Confident	95	Very high	54 Å²	54	56 Å²	56	33%	0.327	29%	0.288	S	S	.	.	S	Bend	trans	-70.6	-41	-179.3	-170.8	0	0	0	0	111.3	T48 Q87 L90	T48-V92 HydrophobicContact CG2-CG1 3.85Å; T48-V92 WeakPolarHBondContact OG1-CG1 3.48Å; Q87-V92 HydrophobicContact CB-CB 4.45Å; Q87-V92 HydrophobicContact CB-CG2 4.4Å; Q87-V92 WeakPolarHBondContact O-CB 3.24Å; Q87-V92 WeakPolarHBondContact O-CG2 3.36Å; Q87-V92 PolarHBondContact O-N 2.77Å; L90-V92 HydrophobicContact CB-CG2 4.16Å
93	F	92.2	Very high	95.2	Very high	11 Å²	11	56.8 Å²	56.8	5%	0.048	29%	0.29	C	S	.	.	S	Bend	trans	-160.9	175.9	177.5	36.3	-106.3	0	0	0	109.9	L44 I47 G51 Y84 Q87 C88	L44-F93 HydrophobicContact CD1-CE1 4.04Å; L44-F93 HydrophobicContact CD1-CZ 4.28Å; I47-F93 HydrophobicContact CG2-CD1 4.18Å; I47-F93 HydrophobicContact CG2-CE1 3.7Å; I47-F93 HydrophobicContact CG2-CZ 3.9Å; G51-F93 WeakPolarHBondContact O-CB 3.4Å; Y84-F93 HydrophobicContact CD1-CE2 4.14Å; Y84-F93 AromaticContact CD2-CE2 3.66Å; Y84-F93 HydrophobicContact CD2-CE2 3.66Å; Y84-F93 HydrophobicContact CD2-CZ 4.09Å; Y84-F93 AromaticContact CE1-CD2 3.94Å; Y84-F93 HydrophobicContact CE1-CD2 3.94Å; Y84-F93 AromaticContact CE1-CE2 3.82Å; Y84-F93 HydrophobicContact CE1-CE2 3.82Å; Y84-F93 AromaticContact CE2-CD2 3.81Å; Y84-F93 HydrophobicContact CE2-CD2 3.81Å; Y84-F93 AromaticContact CE2-CE2 3.32Å; Y84-F93 HydrophobicContact CE2-CE2 3.32Å; Y84-F93 AromaticContact CE2-CZ 3.9Å; Y84-F93 HydrophobicContact CE2-CZ 3.9Å; Y84-F93 HydrophobicContact CG-CE2 4.04Å; Y84-F93 AromaticContact CZ-CD2 3.43Å; Y84-F93 VanDerWaalsContact CZ-CD2 3.43Å; Y84-F93 AromaticContact CZ-CE2 3.37Å; Y84-F93 VanDerWaalsContact OH-CD2 3.28Å; Y84-F93 WeakPolarHBondContact OH-CD2 3.41Å; Q87-F93 HydrophobicContact CB-CE1 4.25Å; Q87-F93 HydrophobicContact CB-CE2 3.66Å; Q87-F93 HydrophobicContact CB-CZ 3.39Å; Q87-F93 HydrophobicContact CG-CZ 4.05Å; C88-F93 VanDerWaalsContact CA-O 3.27Å; C88-F93 WeakPolarHBondContact CA-O 3.4Å; C88-F93 WeakPolarHBondContact CB-O 3.25Å; C88-F93 VanDerWaalsContact SG-CD2 3.59Å
94	Q	94.9	Very high	95.4	Very high	158 Å²	158	60.3 Å²	60.3	74%	0.738	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-84.3	156.8	-179.9	-63	-59.2	-46.7	0	0	112.3	Y84 C88 A96	Y84-Q94 PolarHBondContact OH-O 3.14Å; C88-Q94 PolarHBondContact SG-O 3.48Å; C88-Q94 VanDerWaalsContact SG-O 3.35Å; Q94-A96 PolarHBondContact O-N 3.41Å
95	R	95.4	Very high	95.5	Very high	128 Å²	128	68.2 Å²	68.2	48%	0.483	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-64.9	129	173.5	174.9	178.1	166.3	133.7	-5.3	109.9	D121	R95-D121 IonicContact NH2-OD1 3.27Å; R95-D121 IonicContact NH2-OD2 2.65Å
96	A	97	Very high	95.8	Very high	2 Å²	2	69.3 Å²	69.3	2%	0.017	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-75	147.3	171.6	0	0	0	0	0	111.2	L53 D54 F56 Y84 Q94	L53-A96 HydrophobicContact CB-CB 4.24Å; L53-A96 WeakPolarHBondContact O-CA 3.38Å; L53-A96 WeakPolarHBondContact O-CB 3.44Å; D54-A96 WeakPolarHBondContact O-CA 3.3Å; F56-A96 HydrophobicContact CD2-CB 3.45Å; F56-A96 VanDerWaalsContact CD2-CB 3.45Å; F56-A96 HydrophobicContact CE2-CB 3.49Å; F56-A96 VanDerWaalsContact CE2-CB 3.49Å; F56-A96 HydrophobicContact CG-CB 4.44Å; F56-A96 HydrophobicContact CZ-CB 4.49Å; Y84-A96 HydrophobicContact CE1-CB 4.06Å; Q94-A96 PolarHBondContact O-N 3.41Å
97	K	97.8	Very high	96	Very high	100 Å²	100	69.3 Å²	69.3	44%	0.435	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.7	169.7	-173.6	172.9	-174.5	176.6	0	110.5	D54 L55 F56 D121	D54-K97 PolarHBondContact O-N 3.25Å; L55-K97 WeakPolarHBondContact CA-O 3.49Å; L55-K97 HydrophobicContact CD1-CB 3.99Å; L55-K97 HydrophobicContact CD1-CG 4.39Å; L55-K97 WeakPolarHBondContact CD1-O 3.48Å; F56-K97 PolarHBondContact N-O 3.25Å; K97-D121 HydrophobicContact CD-CB 4.48Å; K97-D121 HydrophobicContact CG-CB 3.76Å
98	L	98.4	Very high	96.2	Very high	2 Å²	2	71 Å²	71	1%	0.01	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.9	177	-49.7	-169.6	0	0	0	109.6	F56 V58 I81 L118 I120 D121 Q122	F56-L98 HydrophobicContact CB-CD2 3.9Å; F56-L98 HydrophobicContact CD2-CD2 3.54Å; F56-L98 HydrophobicContact CG-CD2 4.14Å; V58-L98 HydrophobicContact CG2-CB 4.33Å; V58-L98 HydrophobicContact CG2-CD2 4.48Å; I81-L98 HydrophobicContact CD1-CD1 4.27Å; I81-L98 HydrophobicContact CD1-CD2 3.97Å; I81-L98 HydrophobicContact CG1-CD2 4.39Å; I81-L98 HydrophobicContact CG2-CD1 4.06Å; I81-L98 HydrophobicContact CG2-CD2 3.86Å; L98-L118 HydrophobicContact CD1-CB 4.26Å; L98-I120 HydrophobicContact CB-CD1 4.22Å; L98-I120 WeakPolarHBondContact O-CG2 3.25Å; L98-D121 PolarHBondContact N-OD2 3.44Å; L98-D121 WeakPolarHBondContact O-CA 3.06Å; L98-D121 WeakPolarHBondContact O-CB 3.37Å; L98-D121 PolarHBondContact O-N 3.35Å; L98-Q122 PolarHBondContact O-N 3.14Å; L98-Q122 VanDerWaalsContact O-N 3.07Å
99	V	98.5	Very high	96.4	Very high	9 Å²	9	78.3 Å²	78.3	6%	0.055	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.9	176.3	166.6	0	0	0	0	109.9	L55 F56 V57 V58 F101 Q122 F124	L55-V99 HydrophobicContact CD1-CB 3.75Å; L55-V99 HydrophobicContact CD1-CG2 3.27Å; L55-V99 HydrophobicContact CD2-CB 4.49Å; L55-V99 HydrophobicContact CD2-CG2 4.46Å; L55-V99 HydrophobicContact CG-CB 4.43Å; L55-V99 HydrophobicContact CG-CG2 4.36Å; F56-V99 PolarHBondContact O-N 3.23Å; V57-V99 CarbonylContact C-O 3.56Å; V57-V99 WeakPolarHBondContact CA-O 3.19Å; V58-V99 PolarHBondContact N-O 2.9Å; V99-F101 HydrophobicContact CG1-CD2 4.26Å; V99-F101 HydrophobicContact CG1-CE2 3.74Å; V99-F101 HydrophobicContact CG1-CZ 4.22Å; V99-Q122 VanDerWaalsContact CA-O 3.29Å; V99-Q122 WeakPolarHBondContact CA-O 3.41Å; V99-Q122 HydrophobicContact CG2-CB 4.02Å; V99-F124 HydrophobicContact CG1-CD2 3.65Å; V99-F124 HydrophobicContact CG1-CE2 3.57Å; V99-F124 HydrophobicContact CG2-CE2 4.26Å
100	A	98.6	Very high	96.6	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.4	168.2	0	0	0	0	0	111.5	V58 F63 I120 Q122 L123 F124	V58-A100 WeakPolarHBondContact O-CB 3.4Å; F63-A100 HydrophobicContact CD1-CB 4.06Å; F63-A100 HydrophobicContact CE1-CB 3.35Å; F63-A100 HydrophobicContact CZ-CB 3.62Å; A100-I120 HydrophobicContact CB-CD1 4.33Å; A100-I120 HydrophobicContact CB-CG1 4.15Å; A100-I120 HydrophobicContact CB-CG2 3.85Å; A100-Q122 PolarHBondContact N-O 3.04Å; A100-L123 HydrophobicContact CB-CD1 3.86Å; A100-F124 PolarHBondContact O-N 2.97Å
101	F	98.2	Very high	96.8	Very high	126 Å²	126	73.1 Å²	73.1	55%	0.553	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.5	169.8	-65.2	-93.9	0	0	0	107.9	V57 V99 F124	V57-F101 HydrophobicContact CG1-CD2 4Å; V57-F101 HydrophobicContact CG1-CE2 4.23Å; V99-F101 HydrophobicContact CG1-CD2 4.26Å; V99-F101 HydrophobicContact CG1-CE2 3.74Å; V99-F101 HydrophobicContact CG1-CZ 4.22Å; F101-F124 WeakPolarHBondContact CA-O 3.4Å; F101-F124 HydrophobicContact CD1-CB 3.68Å; F101-F124 HydrophobicContact CD1-CD2 4.32Å; F101-F124 HydrophobicContact CD1-CG 4.27Å; F101-F124 HydrophobicContact CE1-CB 3.85Å; F101-F124 AromaticContact CE1-CD2 3.86Å; F101-F124 HydrophobicContact CE1-CD2 3.86Å; F101-F124 AromaticContact CE1-CG 3.95Å; F101-F124 HydrophobicContact CE1-CG 3.95Å; F101-F124 HydrophobicContact CG-CB 4.45Å; F101-F124 AromaticContact CZ-CD2 3.99Å; F101-F124 HydrophobicContact CZ-CD2 3.99Å; F101-F124 HydrophobicContact CZ-CE2 4.48Å
102	A	98.2	Very high	97	Very high	6 Å²	6	74.8 Å²	74.8	5%	0.05	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.4	-176.1	0	0	0	0	0	110.3	F63 Q106 I107 L123 F124 V125 A126	F63-A102 HydrophobicContact CD2-CB 3.61Å; F63-A102 HydrophobicContact CE2-CB 3.96Å; F63-A102 HydrophobicContact CG-CB 4.45Å; A102-Q106 HydrophobicContact CB-CB 4.17Å; A102-I107 HydrophobicContact CB-CD1 3.94Å; A102-L123 HydrophobicContact CB-CD1 3.91Å; A102-F124 PolarHBondContact N-O 3.3Å; A102-V125 VanDerWaalsContact O-CA 3.3Å; A102-V125 WeakPolarHBondContact O-CA 3.37Å; A102-A126 PolarHBondContact O-N 3.11Å; A102-A126 VanDerWaalsContact O-N 3.11Å
103	F	98.1	Very high	97.3	Very high	133 Å²	133	74.4 Å²	74.4	58%	0.583	36%	0.357	S	S	*	.			trans	-75.1	158.2	161.6	-58.9	-65.4	0	0	0	110.4	E105 Q106 A126	F103-E105 WeakPolarHBondContact CB-OE2 3.42Å; F103-E105 PolarHBondContact O-N 3.27Å; F103-Q106 HydrophobicContact CB-CG 4.26Å; F103-Q106 WeakPolarHBondContact O-CB 3.29Å; F103-Q106 PolarHBondContact O-N 3.49Å; F103-A126 WeakPolarHBondContact CA-O 3.48Å
104	E	97.8	Very high	97.4	Very high	100 Å²	100	80.3 Å²	80.3	47%	0.467	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-56.2	-35.4	176.3	-167.3	68.9	-147	0	0	111.8	R65 Q106 I107 V125 A126	R65-E104 IonicContact NH2-OE1 3.77Å; R65-E104 PolarHBondContact NH2-OE1 3.36Å; E104-Q106 PolarHBondContact O-N 3.11Å; E104-I107 WeakPolarHBondContact O-CB 3.28Å; E104-I107 PolarHBondContact O-N 2.86Å; E104-V125 HydrophobicContact CB-CG1 4.33Å; E104-V125 VanDerWaalsContact OE2-CG1 3.28Å; E104-V125 WeakPolarHBondContact OE2-CG1 3.41Å; E104-A126 PolarHBondContact N-O 2.93Å
105	E	97.8	Very high	97.4	Very high	167 Å²	167	80.1 Å²	80.1	78%	0.78	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-66.6	-16	176.8	-60.9	86	169.2	0	0	113.8	F103 I107	F103-E105 WeakPolarHBondContact CB-OE2 3.42Å; F103-E105 PolarHBondContact O-N 3.27Å; E105-I107 VanDerWaalsContact C-N 3.33Å
106	Q	98.4	Very high	97.2	Very high	40 Å²	40	78.3 Å²	78.3	19%	0.187	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-88.9	-3	175.4	-57	-172.8	-88.8	0	0	112.1	G60 L61 A62 F63 A102 F103 E104	G60-Q106 PolarHBondContact O-NE2 2.75Å; L61-Q106 PolarHBondContact O-NE2 3.02Å; L61-Q106 VanDerWaalsContact O-NE2 3.07Å; A62-Q106 CarbonylContact C-O 3.46Å; A62-Q106 WeakPolarHBondContact CA-O 3.47Å; F63-Q106 PolarHBondContact N-O 2.86Å; A102-Q106 HydrophobicContact CB-CB 4.17Å; F103-Q106 HydrophobicContact CB-CG 4.26Å; F103-Q106 WeakPolarHBondContact O-CB 3.29Å; F103-Q106 PolarHBondContact O-N 3.49Å; E104-Q106 PolarHBondContact O-N 3.11Å
107	I	98.5	Very high	97.1	Very high	29 Å²	29	80.2 Å²	80.2	15%	0.149	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-89.2	123.5	178.3	-52.3	-54.5	0	0	0	109.9	F63 R65 A102 E104 E105 L123 V125	F63-I107 HydrophobicContact CB-CD1 4.29Å; F63-I107 WeakPolarHBondContact O-CA 3.41Å; R65-I107 HydrophobicContact CG-CG2 3.95Å; A102-I107 HydrophobicContact CB-CD1 3.94Å; E104-I107 WeakPolarHBondContact O-CB 3.28Å; E104-I107 PolarHBondContact O-N 2.86Å; E105-I107 VanDerWaalsContact C-N 3.33Å; I107-L123 HydrophobicContact CD1-CD2 3.74Å; I107-V125 HydrophobicContact CD1-CG1 4.36Å; I107-V125 HydrophobicContact CD1-CG2 3.78Å; I107-V125 HydrophobicContact CG1-CG1 3.95Å; I107-V125 HydrophobicContact CG1-CG2 4.11Å
108	V	98.5	Very high	96.9	Very high	55 Å²	55	77.4 Å²	77.4	33%	0.333	39%	0.39	S	S	.	.			trans	-128	156.6	178.6	-59.7	0	0	0	0	110.9	A62 F63 T64 I111	A62-V108 HydrophobicContact CB-CG1 4.28Å; A62-V108 HydrophobicContact CB-CG2 4.15Å; F63-V108 PolarHBondContact O-N 3.04Å; T64-V108 WeakPolarHBondContact CA-O 3.4Å; T64-V108 HydrophobicContact CG2-CG2 4.4Å; V108-I111 HydrophobicContact CG2-CD1 3.88Å; V108-I111 HydrophobicContact CG2-CG1 3.49Å; V108-I111 VanDerWaalsContact CG2-CG1 3.49Å
109	D	98.1	Very high	96.9	Very high	171 Å²	171	80.8 Å²	80.8	91%	0.914	41%	0.408	S	S	*	.	S	Bend	trans	-70.5	-34.2	-178.3	-66.4	-30.4	0	0	0	112.7
110	Y	98.1	Very high	96.9	Very high	171 Å²	171	80.8 Å²	80.8	67%	0.671	41%	0.407	S	S	*	.			trans	-146	136.2	-174.3	177.7	-109	0	0	0	111.6	P112	Y110-P112 HydrophobicContact CD1-CG 4.35Å; Y110-P112 HydrophobicContact CE1-CB 4.19Å; Y110-P112 HydrophobicContact CE1-CG 3.71Å
111	I	97.9	Very high	96.8	Very high	10 Å²	10	84.2 Å²	84.2	5%	0.051	43%	0.425	C	S	.	.			trans	-123.3	122.4	168.3	-66	174	0	0	0	105.8	A62 T64 H68 L70 V108 S113	A62-I111 HydrophobicContact CB-CD1 4.16Å; A62-I111 WeakPolarHBondContact O-CD1 3.3Å; T64-I111 HydrophobicContact CG2-CB 4.12Å; T64-I111 HydrophobicContact CG2-CD1 3.96Å; T64-I111 HydrophobicContact CG2-CG1 3.78Å; H68-I111 HydrophobicContact CB-CB 4.22Å; L70-I111 HydrophobicContact CB-CD1 4.07Å; L70-I111 HydrophobicContact CB-CG2 4.19Å; V108-I111 HydrophobicContact CG2-CD1 3.88Å; V108-I111 HydrophobicContact CG2-CG1 3.49Å; V108-I111 VanDerWaalsContact CG2-CG1 3.49Å; I111-S113 PolarHBondContact O-N 3.07Å; I111-S113 PolarHBondContact O-OG 3.13Å
112	P	96.4	Very high	96.8	Very high	98 Å²	98	82 Å²	82	64%	0.636	42%	0.417	S	S	*	.			trans	-57.6	126.4	167.7	-17.9	28.1	0	0	0	109.3	Y110	Y110-P112 HydrophobicContact CD1-CG 4.35Å; Y110-P112 HydrophobicContact CE1-CB 4.19Å; Y110-P112 HydrophobicContact CE1-CG 3.71Å
113	S	94.9	Very high	96.8	Very high	47 Å²	47	83.1 Å²	83.1	33%	0.329	42%	0.422	S	S	.	.			trans	-135.4	150	-177.5	-61.3	0	0	0	0	111.3	H68 I111 D117	H68-S113 PolarHBondContact CD2-OG 2.76Å; I111-S113 PolarHBondContact O-N 3.07Å; I111-S113 PolarHBondContact O-OG 3.13Å; S113-D117 VanDerWaalsContact CA-OD2 3.24Å; S113-D117 WeakPolarHBondContact CA-OD2 3.41Å
114	E	94.8	Very high	96.8	Very high	135 Å²	135	81.4 Å²	81.4	63%	0.631	41%	0.414	S	S	*	.			trans	-108.3	171.2	175.2	-64.3	-170.8	-165.8	0	0	110.9	H116 D117	E114-H116 PolarHBondContact O-N 3.1Å; E114-H116 VanDerWaalsContact O-N 3.08Å; E114-H116 IonicContact OE2-CE1 3.88Å; E114-H116 PolarHBondContact OE2-CE1 3.18Å; E114-H116 IonicContact OE2-ND1 3.57Å; E114-H116 PolarHBondContact OE2-ND1 2.93Å; E114-D117 PolarHBondContact N-OD2 3.43Å; E114-D117 WeakPolarHBondContact O-CB 3.34Å; E114-D117 PolarHBondContact O-N 2.99Å
115	T	93.4	Very high	96.8	Very high	154 Å²	154	79.1 Å²	79.1	95%	0.945	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.7	-176.2	54.6	0	0	0	0	114.4
116	H	91.3	Very high	96.5	Very high	90 Å²	90	77 Å²	77	42%	0.417	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.8	178.6	66.8	-101.4	0	0	0	113	E114	E114-H116 PolarHBondContact O-N 3.1Å; E114-H116 VanDerWaalsContact O-N 3.08Å; E114-H116 IonicContact OE2-CE1 3.88Å; E114-H116 PolarHBondContact OE2-CE1 3.18Å; E114-H116 IonicContact OE2-ND1 3.57Å; E114-H116 PolarHBondContact OE2-ND1 2.93Å
117	D	94.7	Very high	96.4	Very high	42 Å²	42	78.9 Å²	78.9	23%	0.225	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-74.1	128.5	177	-70.5	-46.5	0	0	0	110.4	S113 E114	S113-D117 VanDerWaalsContact CA-OD2 3.24Å; S113-D117 WeakPolarHBondContact CA-OD2 3.41Å; E114-D117 PolarHBondContact N-OD2 3.43Å; E114-D117 WeakPolarHBondContact O-CB 3.34Å; E114-D117 PolarHBondContact O-N 2.99Å
118	L	94.7	Very high	96.3	Very high	41 Å²	41	81.5 Å²	81.5	22%	0.215	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-89	135.9	-177.6	-60.8	176.7	0	0	0	111.6	D78 I81 L98	D78-L118 PolarHBondContact OD1-N 3.25Å; I81-L118 HydrophobicContact CB-CD1 3.38Å; I81-L118 HydrophobicContact CD1-CD1 4.26Å; I81-L118 HydrophobicContact CG1-CD1 4.42Å; I81-L118 HydrophobicContact CG2-CD1 3.39Å; L98-L118 HydrophobicContact CD1-CB 4.26Å
119	I	97.3	Very high	96.2	Very high	73 Å²	73	83 Å²	83	37%	0.374	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-83.1	131.3	176.2	-56.1	-57.6	0	0	0	109.9	S66 H68	S66-I119 WeakPolarHBondContact O-CG2 3.16Å; H68-I119 HydrophobicContact CB-CD1 4.43Å; H68-I119 WeakPolarHBondContact CD2-CD1 3.35Å
120	I	98.3	Very high	96.1	Very high	8 Å²	8	77.8 Å²	77.8	4%	0.041	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-69.8	126.2	172.2	-60.8	-56.2	0	0	0	109.5	V58 F63 G67 R69 L98 A100 Q122	V58-I120 HydrophobicContact CB-CD1 3.67Å; V58-I120 HydrophobicContact CG1-CD1 3.94Å; V58-I120 HydrophobicContact CG2-CD1 3.97Å; F63-I120 HydrophobicContact CD1-CG1 4.24Å; F63-I120 HydrophobicContact CE1-CG1 4.13Å; G67-I120 WeakPolarHBondContact O-CB 3.33Å; G67-I120 PolarHBondContact O-N 3.22Å; R69-I120 HydrophobicContact CB-CG1 4.3Å; L98-I120 HydrophobicContact CB-CD1 4.22Å; L98-I120 WeakPolarHBondContact O-CG2 3.25Å; A100-I120 HydrophobicContact CB-CD1 4.33Å; A100-I120 HydrophobicContact CB-CG1 4.15Å; A100-I120 HydrophobicContact CB-CG2 3.85Å; I120-Q122 VanDerWaalsContact C-N 3.35Å; I120-Q122 VanDerWaalsContact CG2-O 3.23Å; I120-Q122 WeakPolarHBondContact CG2-O 3.49Å
121	D	98.3	Very high	95.9	Very high	72 Å²	72	72 Å²	72	39%	0.385	41%	0.409	S	S	.	.	S	Bend	trans	-72.3	-29.7	-179	-59.3	-48.6	0	0	0	112	R95 K97 L98	R95-D121 IonicContact NH2-OD1 3.27Å; R95-D121 IonicContact NH2-OD2 2.65Å; K97-D121 HydrophobicContact CD-CB 4.48Å; K97-D121 HydrophobicContact CG-CB 3.76Å; L98-D121 PolarHBondContact N-OD2 3.44Å; L98-D121 WeakPolarHBondContact O-CA 3.06Å; L98-D121 WeakPolarHBondContact O-CB 3.37Å; L98-D121 PolarHBondContact O-N 3.35Å
122	Q	98	Very high	95.8	Very high	79 Å²	79	76.1 Å²	76.1	37%	0.369	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	123.9	177.8	179.4	69.8	62.9	0	0	112.1	L98 V99 A100 I120 F124	L98-Q122 PolarHBondContact O-N 3.14Å; L98-Q122 VanDerWaalsContact O-N 3.07Å; V99-Q122 VanDerWaalsContact CA-O 3.29Å; V99-Q122 WeakPolarHBondContact CA-O 3.41Å; V99-Q122 HydrophobicContact CG2-CB 4.02Å; A100-Q122 PolarHBondContact N-O 3.04Å; I120-Q122 VanDerWaalsContact C-N 3.35Å; I120-Q122 VanDerWaalsContact CG2-O 3.23Å; I120-Q122 WeakPolarHBondContact CG2-O 3.49Å; Q122-F124 HydrophobicContact CG-CD2 4.19Å; Q122-F124 HydrophobicContact CG-CE1 4.37Å; Q122-F124 HydrophobicContact CG-CE2 3.51Å; Q122-F124 HydrophobicContact CG-CZ 3.63Å
123	L	98.1	Very high	95.8	Very high	30 Å²	30	74.6 Å²	74.6	16%	0.157	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.7	175.2	-174.8	63.4	0	0	0	110.1	F63 A100 A102 I107 V125	F63-L123 HydrophobicContact CB-CD1 4.05Å; F63-L123 HydrophobicContact CB-CD2 3.88Å; F63-L123 HydrophobicContact CD1-CD1 4.09Å; F63-L123 HydrophobicContact CD2-CD1 4.3Å; F63-L123 HydrophobicContact CG-CD1 3.89Å; A100-L123 HydrophobicContact CB-CD1 3.86Å; A102-L123 HydrophobicContact CB-CD1 3.91Å; I107-L123 HydrophobicContact CD1-CD2 3.74Å; L123-V125 HydrophobicContact CD2-CG2 4.21Å; L123-V125 HydrophobicContact CG-CG2 4.07Å
124	F	98.2	Very high	95.8	Very high	97 Å²	97	76.7 Å²	76.7	43%	0.425	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.4	169.3	-63	-84.6	0	0	0	108.9	V99 A100 F101 A102 Q122	V99-F124 HydrophobicContact CG1-CD2 3.65Å; V99-F124 HydrophobicContact CG1-CE2 3.57Å; V99-F124 HydrophobicContact CG2-CE2 4.26Å; A100-F124 PolarHBondContact O-N 2.97Å; F101-F124 WeakPolarHBondContact CA-O 3.4Å; F101-F124 HydrophobicContact CD1-CB 3.68Å; F101-F124 HydrophobicContact CD1-CD2 4.32Å; F101-F124 HydrophobicContact CD1-CG 4.27Å; F101-F124 HydrophobicContact CE1-CB 3.85Å; F101-F124 AromaticContact CE1-CD2 3.86Å; F101-F124 HydrophobicContact CE1-CD2 3.86Å; F101-F124 AromaticContact CE1-CG 3.95Å; F101-F124 HydrophobicContact CE1-CG 3.95Å; F101-F124 HydrophobicContact CG-CB 4.45Å; F101-F124 AromaticContact CZ-CD2 3.99Å; F101-F124 HydrophobicContact CZ-CD2 3.99Å; F101-F124 HydrophobicContact CZ-CE2 4.48Å; A102-F124 PolarHBondContact N-O 3.3Å; Q122-F124 HydrophobicContact CG-CD2 4.19Å; Q122-F124 HydrophobicContact CG-CE1 4.37Å; Q122-F124 HydrophobicContact CG-CE2 3.51Å; Q122-F124 HydrophobicContact CG-CZ 3.63Å
125	V	97.3	Very high	95.9	Very high	53 Å²	53	71.8 Å²	71.8	32%	0.321	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.7	-178	-168.6	0	0	0	0	109.2	A102 E104 I107 L123	A102-V125 VanDerWaalsContact O-CA 3.3Å; A102-V125 WeakPolarHBondContact O-CA 3.37Å; E104-V125 HydrophobicContact CB-CG1 4.33Å; E104-V125 VanDerWaalsContact OE2-CG1 3.28Å; E104-V125 WeakPolarHBondContact OE2-CG1 3.41Å; I107-V125 HydrophobicContact CD1-CG1 4.36Å; I107-V125 HydrophobicContact CD1-CG2 3.78Å; I107-V125 HydrophobicContact CG1-CG1 3.95Å; I107-V125 HydrophobicContact CG1-CG2 4.11Å; L123-V125 HydrophobicContact CD2-CG2 4.21Å; L123-V125 HydrophobicContact CG-CG2 4.07Å
126	A	91.4	Very high	96.1	Very high	123 Å²	123	64.4 Å²	64.4	100%	1.017	36%	0.359	S	S	*	.			trans	-133.4	0	-178.7	0	0	0	0	0	112	A102 F103 E104	A102-A126 PolarHBondContact O-N 3.11Å; A102-A126 VanDerWaalsContact O-N 3.11Å; F103-A126 WeakPolarHBondContact CA-O 3.48Å; E104-A126 PolarHBondContact N-O 2.93Å

Retrieved 126 of 126 residues in 104.2 ms (Link to these results)

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