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Ephrin-A1

Cell surface GPI-bound ligand for Eph receptors, a family of receptor tyrosine kinases which are crucial for migration, repulsion and adhesion during neuronal, vascular and epithelial development. Binds promiscuously Eph receptors residing on adjacent cells, leading to contact-dependent bidirectional signaling into neighboring cells. Plays an important role in angiogenesis and tumor neovascularization. The recruitment of VAV2, VAV3 and PI3-kinase p85 subunit by phosphorylated EPHA2 is critical for EFNA1-induced RAC1 GTPase activation and vascular endothelial cell migration and assembly. Exerts anti-oncogenic effects in tumor cells through activation and down-regulation of EPHA2. Activates EPHA2 by inducing tyrosine phosphorylation which leads to its internalization and degradation. Acts as a negative regulator in the tumorigenesis of gliomas by down-regulating EPHA2 and FAK. Can evoke collapse of embryonic neuronal growth cone and regulates dendritic spine morphogenesis.

AlphaFold DB (H9FQX1), UniProt , Accession A0A096N996, Species PAPAN (Papio anubis, Olive baboon), Gene EFNA1, Length 205 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	53.4	Low	238 Å²	238	163.6 Å²	163.6	100%	1.172	87%	0.873	S	S	*	*				0	94.9	0	-80.7	-161.5	-76.1	0	0	106.3
2	E	52.6	Low	53	Low	168 Å²	168	158.8 Å²	158.8	79%	0.785	86%	0.86	S	S	*	*			trans	-103.8	97.7	-171.5	-70.4	-81.6	125.4	0	0	107.9
3	F	50.2	Low	53.1	Low	210 Å²	210	156.2 Å²	156.2	92%	0.921	86%	0.858	S	S	*	*			trans	-154.6	62.5	165	-70.3	-68.2	0	0	0	110
4	L	57.2	Low	53.4	Low	154 Å²	154	152 Å²	152	81%	0.806	85%	0.846	S	S	*	*			trans	-97.5	147.1	157	-80	150.7	0	0	0	107.1
5	W	46.4	Very low	53.7	Low	227 Å²	227	152.3 Å²	152.3	86%	0.86	84%	0.844	S	S	*	*			trans	83	64.8	169.7	-42.4	89.2	0	0	0	117.9	P7	W5-P7 VanDerWaalsContact C-CD 3.49Å
6	A	55.8	Low	54.4	Low	105 Å²	105	149.2 Å²	149.2	87%	0.868	84%	0.844	S	S	*	*			trans	-121.4	71.7	144.6	0	0	0	0	0	112.1
7	P	53.3	Low	55.3	Low	101 Å²	101	145.7 Å²	145.7	66%	0.656	84%	0.838	S	S	*	*			trans	-117.4	78.2	154.6	37.4	-25.4	0	0	0	108.4	W5	W5-P7 VanDerWaalsContact C-CD 3.49Å
8	L	55.3	Low	57	Low	164 Å²	164	140 Å²	140	86%	0.859	81%	0.812	S	S	*	*			trans	-145	19.1	175.1	-117.9	131.5	0	0	0	115.1
9	L	55	Low	58.9	Low	182 Å²	182	137.6 Å²	137.6	95%	0.953	80%	0.795	S	S	*	*	S	Bend	trans	-121.5	20.6	172.6	-89.2	99.6	0	0	0	113.7
10	G	57.8	Low	60.8	Low	81 Å²	81	136.4 Å²	136.4	84%	0.835	78%	0.777	S	S	*	*	S	Bend	trans	-107.5	9.6	-179.7	0	0	0	0	0	115.2
11	L	62.5	Low	62.6	Low	170 Å²	170	131.8 Å²	131.8	89%	0.89	75%	0.749	S	S	*	*	S	Bend	trans	-130.2	125.2	-172.2	-154.4	70.4	0	0	0	112.2
12	C	48.9	Very low	65.3	Low	105 Å²	105	123.8 Å²	123.8	71%	0.709	71%	0.713	S	S	*	*			trans	87.8	56	164.6	-123.5	0	0	0	0	118.4
13	C	53.5	Low	67.5	Low	125 Å²	125	115.8 Å²	115.8	85%	0.845	68%	0.676	S	S	*	*			trans	-110.9	54.8	141.9	-84.1	0	0	0	0	109.5	L15	C13-L15 PolarHBondContact O-N 3.36Å
14	S	57.6	Low	69.8	Low	98 Å²	98	111.4 Å²	111.4	69%	0.685	66%	0.657	S	S	*	*			trans	-70.2	78.1	153.8	19.3	0	0	0	0	106.8	A16	S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 3.37Å
15	L	58.7	Low	71.7	Confident	157 Å²	157	104 Å²	104	82%	0.822	62%	0.618	S	S	*	*			trans	-55	106.5	156.2	-77.3	163.6	0	0	0	104.8	C13 A17	C13-L15 PolarHBondContact O-N 3.36Å; L15-A17 VanDerWaalsContact C-N 3.3Å; L15-A17 PolarHBondContact O-N 3.21Å
16	A	63.8	Low	74.1	Confident	102 Å²	102	94.9 Å²	94.9	84%	0.843	59%	0.586	S	S	*	*			trans	-59.4	100.3	174.5	0	0	0	0	0	106.8	S14	S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 3.37Å
17	A	70.4	Confident	75.9	Confident	90 Å²	90	91.5 Å²	91.5	74%	0.744	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-65.6	136.2	172.2	0	0	0	0	0	107.4	L15 D19	L15-A17 VanDerWaalsContact C-N 3.3Å; L15-A17 PolarHBondContact O-N 3.21Å; A17-D19 PolarHBondContact O-N 3.24Å
18	A	84.7	Confident	77.8	Confident	43 Å²	43	90.8 Å²	90.8	36%	0.355	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-58.4	131.8	170.7	0	0	0	0	0	109.5	N44 Y46	A18-N44 WeakPolarHBondContact CB-O 3.05Å; A18-Y46 HydrophobicContact CB-CD2 4.11Å; A18-Y46 HydrophobicContact CB-CE2 4.06Å
19	D	94.3	Very high	79.8	Confident	94 Å²	94	84 Å²	84	50%	0.503	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-76.5	158.6	177	-162.9	15.2	0	0	0	110.6	A17 H21 D45 Y46	A17-D19 PolarHBondContact O-N 3.24Å; D19-H21 IonicContact OD2-CE1 3.71Å; D19-H21 IonicContact OD2-NE2 2.7Å; D19-D45 PolarHBondContact N-OD1 2.86Å; D19-D45 WeakPolarHBondContact O-CA 3.43Å; D19-Y46 PolarHBondContact O-N 3.15Å
20	R	97.2	Very high	81.7	Confident	113 Å²	113	79.1 Å²	79.1	43%	0.426	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.5	177.2	-61.1	-167.8	74.9	90.8	-5.3	110.9	Y46 D48	R20-Y46 WeakPolarHBondContact CA-O 3.42Å; R20-D48 IonicContact CZ-OD1 2.65Å; R20-D48 IonicContact CZ-OD2 3.76Å; R20-D48 IonicContact NE-OD2 3.16Å; R20-D48 PolarHBondContact NE-OD2 2.71Å; R20-D48 IonicContact NH2-OD1 3.95Å; R20-D48 PolarHBondContact NH2-OD1 2.81Å; R20-D48 IonicContact NH2-OD2 2.74Å; R20-D48 PolarHBondContact NH2-OD2 2.81Å
21	H	98.1	Very high	83.6	Confident	40 Å²	40	80.9 Å²	80.9	19%	0.185	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.8	175.3	-53.7	-88.8	0	0	0	110.4	D19 I39 H40 V41 D45 Y46 V47 D48	D19-H21 IonicContact OD2-CE1 3.71Å; D19-H21 IonicContact OD2-NE2 2.7Å; H21-I39 HydrophobicContact CB-CD1 4.17Å; H21-H40 PolarHBondContact CE1-O 2.97Å; H21-V41 VanDerWaalsContact CD2-CG1 3.49Å; H21-V41 WeakPolarHBondContact CD2-CG1 3.44Å; H21-D45 IonicContact NE2-OD2 3.36Å; H21-Y46 PolarHBondContact N-O 3.41Å; H21-V47 HydrophobicContact CB-CG2 4.28Å; H21-V47 CarbonylContact O-C 3.54Å; H21-V47 WeakPolarHBondContact O-CA 3.41Å; H21-D48 PolarHBondContact O-N 2.77Å
22	T	98.4	Very high	85.2	Confident	70 Å²	70	73.5 Å²	73.5	43%	0.429	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.6	177.8	-53.4	0	0	0	0	111.4	F24 D48 I50	T22-F24 HydrophobicContact CG2-CE2 4.09Å; T22-F24 HydrophobicContact CG2-CZ 4.16Å; T22-D48 CarbonylContact C-O 3.58Å; T22-D48 WeakPolarHBondContact CA-O 3.41Å; T22-I50 HydrophobicContact CG2-CD1 4.16Å; T22-I50 HydrophobicContact CG2-CG1 3.59Å
23	V	98.6	Very high	87.2	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.006	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.1	178.3	-178.3	0	0	0	0	109.1	W25 F32 Y37 I39 V47 D48 I49 I50 L143	V23-W25 HydrophobicContact CG1-CE3 4.2Å; V23-W25 PolarHBondContact O-N 3.4Å; V23-F32 HydrophobicContact CG1-CE2 4.45Å; V23-F32 HydrophobicContact CG1-CZ 4.06Å; V23-Y37 HydrophobicContact CG1-CE1 3.9Å; V23-I39 HydrophobicContact CG2-CD1 4.16Å; V23-V47 HydrophobicContact CG2-CG1 4.16Å; V23-D48 PolarHBondContact N-O 3.05Å; V23-I49 HydrophobicContact CB-CG1 4.43Å; V23-I49 WeakPolarHBondContact O-CA 3.39Å; V23-I50 PolarHBondContact O-N 3.25Å; V23-L143 HydrophobicContact CG1-CD2 4.3Å; V23-L143 HydrophobicContact CG2-CD2 4.06Å
24	F	98.4	Very high	88.8	Confident	117 Å²	117	77.4 Å²	77.4	51%	0.513	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	111.7	172.4	-65.1	-81.4	0	0	0	110	T22 N26 N29 F32 I50	T22-F24 HydrophobicContact CG2-CE2 4.09Å; T22-F24 HydrophobicContact CG2-CZ 4.16Å; F24-N26 PolarHBondContact O-N 3.16Å; F24-N29 PolarHBondContact O-ND2 3.44Å; F24-F32 WeakPolarHBondContact O-CE2 3.37Å; F24-I50 HydrophobicContact CD1-CB 3.84Å; F24-I50 HydrophobicContact CD1-CG1 4.15Å; F24-I50 HydrophobicContact CD1-CG2 3.97Å; F24-I50 HydrophobicContact CE1-CB 4.2Å; F24-I50 HydrophobicContact CE1-CG1 4.12Å; F24-I50 HydrophobicContact CE1-CG2 4.09Å
25	W	98.1	Very high	90.2	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	42%	0.42	C	S	.	.			trans	-94.4	78.6	-171.4	-161.1	-76.4	0	0	0	112	V23 F32 I49 I50 P52 Y67 L69 S130 L141 L143	V23-W25 HydrophobicContact CG1-CE3 4.2Å; V23-W25 PolarHBondContact O-N 3.4Å; W25-F32 AromaticContact CD2-CZ 3.94Å; W25-F32 HydrophobicContact CD2-CZ 3.94Å; W25-F32 HydrophobicContact CE3-CE1 4.33Å; W25-F32 AromaticContact CE3-CZ 3.71Å; W25-F32 HydrophobicContact CE3-CZ 3.71Å; W25-F32 HydrophobicContact CH2-CE1 4.3Å; W25-F32 HydrophobicContact CH2-CZ 4.47Å; W25-F32 HydrophobicContact CZ3-CE1 4.21Å; W25-F32 HydrophobicContact CZ3-CZ 4Å; W25-I49 HydrophobicContact CB-CG2 3.75Å; W25-I49 HydrophobicContact CD2-CG2 4.16Å; W25-I49 HydrophobicContact CE3-CD1 4.3Å; W25-I49 HydrophobicContact CE3-CG2 3.75Å; W25-I49 HydrophobicContact CG-CG2 4.19Å; W25-I49 HydrophobicContact CZ3-CD1 4.27Å; W25-I50 PolarHBondContact N-O 3.25Å; W25-P52 VanDerWaalsContact O-CD 3.27Å; W25-P52 WeakPolarHBondContact O-CD 3.27Å; W25-P52 VanDerWaalsContact O-CG 3.28Å; W25-P52 WeakPolarHBondContact O-CG 3.43Å; W25-Y67 AromaticContact CD1-CD2 3.97Å; W25-L69 HydrophobicContact CD2-CD2 3.59Å; W25-L69 HydrophobicContact CE3-CD2 4.05Å; W25-L69 HydrophobicContact CG-CD2 4.08Å; W25-L69 HydrophobicContact CH2-CD2 3.99Å; W25-L69 HydrophobicContact CZ2-CD2 3.52Å; W25-L69 HydrophobicContact CZ3-CD2 4.22Å; W25-S130 PolarHBondContact NE1-OG 3.01Å; W25-L141 HydrophobicContact CZ2-CB 3.92Å; W25-L141 WeakPolarHBondContact CZ2-O 3.35Å; W25-L143 HydrophobicContact CH2-CB 3.87Å; W25-L143 HydrophobicContact CZ3-CB 3.57Å; W25-L143 HydrophobicContact CZ3-CD2 4.1Å; W25-L143 HydrophobicContact CZ3-CG 4.49Å
26	N	95.3	Very high	91.8	Very high	34 Å²	34	74 Å²	74	18%	0.182	41%	0.407	C	S	.	.	S	Bend	trans	-145.9	159.3	176.5	61	73.9	0	0	0	110.9	F24 S28 N29 P52 E65	F24-N26 PolarHBondContact O-N 3.16Å; N26-S28 PolarHBondContact O-N 3.29Å; N26-S28 WeakPolarHBondContact OD1-CA 3.49Å; N26-S28 WeakPolarHBondContact OD1-CB 3.48Å; N26-S28 PolarHBondContact OD1-N 2.9Å; N26-S28 VanDerWaalsContact OD1-N 3.17Å; N26-N29 PolarHBondContact O-N 3.46Å; N26-N29 PolarHBondContact OD1-N 3.02Å; N26-P52 HydrophobicContact CB-CB 4.38Å; N26-P52 HydrophobicContact CB-CG 4.07Å; N26-E65 WeakPolarHBondContact CA-OE2 3.48Å; N26-E65 WeakPolarHBondContact CB-OE2 3.34Å
27	S	93.8	Very high	93.4	Very high	34 Å²	34	70 Å²	70	24%	0.238	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.3	-177.1	79.9	0	0	0	0	113.6	E65	S27-E65 WeakPolarHBondContact CB-OE1 3.34Å; S27-E65 PolarHBondContact N-OE2 3.24Å; S27-E65 PolarHBondContact OG-OE1 3.22Å
28	S	93.9	Very high	94.8	Very high	87 Å²	87	68.1 Å²	68.1	61%	0.608	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.2	179	-65.2	0	0	0	0	113.2	N26 P30	N26-S28 PolarHBondContact O-N 3.29Å; N26-S28 WeakPolarHBondContact OD1-CA 3.49Å; N26-S28 WeakPolarHBondContact OD1-CB 3.48Å; N26-S28 PolarHBondContact OD1-N 2.9Å; N26-S28 VanDerWaalsContact OD1-N 3.17Å; S28-P30 WeakPolarHBondContact O-CD 3.21Å
29	N	96.7	Very high	95.4	Very high	20 Å²	20	67.1 Å²	67.1	11%	0.107	34%	0.338	C	S	.	.			trans	-68.3	115.6	179.3	176	-3.7	0	0	0	110.1	F24 N26 K31 F32	F24-N29 PolarHBondContact O-ND2 3.44Å; N26-N29 PolarHBondContact O-N 3.46Å; N26-N29 PolarHBondContact OD1-N 3.02Å; N29-K31 PolarHBondContact O-N 3.07Å; N29-K31 WeakPolarHBondContact OD1-CB 3.48Å; N29-K31 PolarHBondContact OD1-N 3.32Å; N29-F32 HydrophobicContact CB-CD2 4Å; N29-F32 HydrophobicContact CB-CE2 4.45Å; N29-F32 PolarHBondContact O-N 2.8Å; N29-F32 VanDerWaalsContact O-N 3.1Å
30	P	96.1	Very high	95.6	Very high	80 Å²	80	67.9 Å²	67.9	52%	0.519	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-63	-21.4	-173.1	26	-35.4	0	0	0	113.5	S28 F32 R33	S28-P30 WeakPolarHBondContact O-CD 3.21Å; P30-F32 PolarHBondContact O-N 2.96Å; P30-R33 WeakPolarHBondContact O-CB 3.32Å; P30-R33 WeakPolarHBondContact O-CG 3.39Å; P30-R33 PolarHBondContact O-N 2.94Å; P30-R33 VanDerWaalsContact O-N 3.09Å
31	K	96.7	Very high	95.6	Very high	118 Å²	118	62.5 Å²	62.5	51%	0.513	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-63.5	-23.2	177.9	-62.9	-175	179.9	-178.7	0	112.9	N29 Y37	N29-K31 PolarHBondContact O-N 3.07Å; N29-K31 WeakPolarHBondContact OD1-CB 3.48Å; N29-K31 PolarHBondContact OD1-N 3.32Å; K31-Y37 HydrophobicContact CB-CD1 3.47Å; K31-Y37 VanDerWaalsContact CB-CD1 3.47Å; K31-Y37 HydrophobicContact CB-CD2 4.16Å; K31-Y37 HydrophobicContact CB-CE1 3.44Å; K31-Y37 VanDerWaalsContact CB-CE1 3.44Å; K31-Y37 HydrophobicContact CB-CE2 4.18Å; K31-Y37 HydrophobicContact CB-CG 3.86Å; K31-Y37 HydrophobicContact CD-CD2 4.38Å; K31-Y37 HydrophobicContact CD-CE1 3.76Å; K31-Y37 HydrophobicContact CD-CE2 3.66Å; K31-Y37 VanDerWaalsContact CD-OH 3.29Å; K31-Y37 WeakPolarHBondContact CD-OH 3.38Å; K31-Y37 HydrophobicContact CG-CE1 4.25Å; K31-Y37 WeakPolarHBondContact O-CB 3.31Å
32	F	95.6	Very high	95.5	Very high	15 Å²	15	65.4 Å²	65.4	7%	0.066	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-85.2	-7.2	175.8	-71.6	-72.3	0	0	0	114.3	V23 F24 W25 N29 P30 N34 E35 Y37 L141 R142 L143	V23-F32 HydrophobicContact CG1-CE2 4.45Å; V23-F32 HydrophobicContact CG1-CZ 4.06Å; F24-F32 WeakPolarHBondContact O-CE2 3.37Å; W25-F32 AromaticContact CD2-CZ 3.94Å; W25-F32 HydrophobicContact CD2-CZ 3.94Å; W25-F32 HydrophobicContact CE3-CE1 4.33Å; W25-F32 AromaticContact CE3-CZ 3.71Å; W25-F32 HydrophobicContact CE3-CZ 3.71Å; W25-F32 HydrophobicContact CH2-CE1 4.3Å; W25-F32 HydrophobicContact CH2-CZ 4.47Å; W25-F32 HydrophobicContact CZ3-CE1 4.21Å; W25-F32 HydrophobicContact CZ3-CZ 4Å; N29-F32 HydrophobicContact CB-CD2 4Å; N29-F32 HydrophobicContact CB-CE2 4.45Å; N29-F32 PolarHBondContact O-N 2.8Å; N29-F32 VanDerWaalsContact O-N 3.1Å; P30-F32 PolarHBondContact O-N 2.96Å; F32-N34 PolarHBondContact O-N 3.39Å; F32-E35 PolarHBondContact O-N 3.05Å; F32-Y37 AromaticContact CD1-CD1 3.91Å; F32-Y37 HydrophobicContact CD1-CD1 3.91Å; F32-Y37 HydrophobicContact CD2-CD1 4.17Å; F32-Y37 HydrophobicContact CD2-CE1 4.48Å; F32-Y37 AromaticContact CE1-CD1 3.7Å; F32-Y37 HydrophobicContact CE1-CD1 3.7Å; F32-Y37 HydrophobicContact CE1-CE1 4.43Å; F32-Y37 AromaticContact CE2-CD1 3.95Å; F32-Y37 HydrophobicContact CE2-CD1 3.95Å; F32-Y37 HydrophobicContact CE2-CE1 4.02Å; F32-Y37 HydrophobicContact CG-CD1 4.14Å; F32-Y37 AromaticContact CZ-CD1 3.72Å; F32-Y37 HydrophobicContact CZ-CD1 3.72Å; F32-Y37 AromaticContact CZ-CE1 3.99Å; F32-Y37 HydrophobicContact CZ-CE1 3.99Å; F32-L141 HydrophobicContact CB-CD2 3.79Å; F32-L141 HydrophobicContact CD1-CB 4.01Å; F32-L141 HydrophobicContact CD1-CD2 4.34Å; F32-L141 HydrophobicContact CD2-CD2 4.41Å; F32-L141 HydrophobicContact CE1-CB 4.15Å; F32-L141 HydrophobicContact CG-CB 4.38Å; F32-L141 HydrophobicContact CG-CD2 3.95Å; F32-R142 WeakPolarHBondContact CD1-O 3.32Å; F32-R142 WeakPolarHBondContact CE1-O 3.49Å; F32-L143 HydrophobicContact CE1-CB 4.47Å
33	R	90.7	Very high	95.4	Very high	185 Å²	185	63.4 Å²	63.4	70%	0.698	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.8	-172.9	-70.6	176.3	179.2	-169.1	0.2	114.1	P30	P30-R33 WeakPolarHBondContact O-CB 3.32Å; P30-R33 WeakPolarHBondContact O-CG 3.39Å; P30-R33 PolarHBondContact O-N 2.94Å; P30-R33 VanDerWaalsContact O-N 3.09Å
34	N	88	Confident	95.2	Very high	127 Å²	127	67.2 Å²	67.2	68%	0.679	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	2.2	-175.7	-62.9	-15.8	0	0	0	112.7	F32 D36	F32-N34 PolarHBondContact O-N 3.39Å; N34-D36 VanDerWaalsContact CB-OD1 3.27Å; N34-D36 WeakPolarHBondContact CB-OD1 3.11Å; N34-D36 PolarHBondContact O-N 2.94Å
35	E	87.3	Confident	95.2	Very high	83 Å²	83	62.3 Å²	62.3	39%	0.388	32%	0.318	S	S	.	.	S	Bend	trans	54.8	19.3	-179.6	-45.1	-174.8	166.4	0	0	116	F32 R142	F32-E35 PolarHBondContact O-N 3.05Å; E35-R142 PolarHBondContact O-NE 2.84Å; E35-R142 PolarHBondContact O-NH2 3.02Å; E35-R142 IonicContact OE2-CZ 2.82Å; E35-R142 IonicContact OE2-NH1 2.92Å; E35-R142 IonicContact OE2-NH2 3.16Å; E35-R142 PolarHBondContact OE2-NH2 3.24Å
36	D	92.4	Very high	95.2	Very high	101 Å²	101	65.4 Å²	65.4	54%	0.54	33%	0.33	S	S	.	.			trans	-114.4	11.2	-178.4	67.1	-16.2	0	0	0	112.6	N34 T38	N34-D36 VanDerWaalsContact CB-OD1 3.27Å; N34-D36 WeakPolarHBondContact CB-OD1 3.11Å; N34-D36 PolarHBondContact O-N 2.94Å; D36-T38 PolarHBondContact O-N 2.95Å; D36-T38 PolarHBondContact O-OG1 3.35Å
37	Y	97.7	Very high	95.3	Very high	17 Å²	17	63.8 Å²	63.8	7%	0.067	32%	0.321	C	S	.	.			trans	-56.1	108	-176.6	-163.7	175.5	0	0	0	110.2	V23 K31 F32 I39 L143 K144	V23-Y37 HydrophobicContact CG1-CE1 3.9Å; K31-Y37 HydrophobicContact CB-CD1 3.47Å; K31-Y37 VanDerWaalsContact CB-CD1 3.47Å; K31-Y37 HydrophobicContact CB-CD2 4.16Å; K31-Y37 HydrophobicContact CB-CE1 3.44Å; K31-Y37 VanDerWaalsContact CB-CE1 3.44Å; K31-Y37 HydrophobicContact CB-CE2 4.18Å; K31-Y37 HydrophobicContact CB-CG 3.86Å; K31-Y37 HydrophobicContact CD-CD2 4.38Å; K31-Y37 HydrophobicContact CD-CE1 3.76Å; K31-Y37 HydrophobicContact CD-CE2 3.66Å; K31-Y37 VanDerWaalsContact CD-OH 3.29Å; K31-Y37 WeakPolarHBondContact CD-OH 3.38Å; K31-Y37 HydrophobicContact CG-CE1 4.25Å; K31-Y37 WeakPolarHBondContact O-CB 3.31Å; F32-Y37 AromaticContact CD1-CD1 3.91Å; F32-Y37 HydrophobicContact CD1-CD1 3.91Å; F32-Y37 HydrophobicContact CD2-CD1 4.17Å; F32-Y37 HydrophobicContact CD2-CE1 4.48Å; F32-Y37 AromaticContact CE1-CD1 3.7Å; F32-Y37 HydrophobicContact CE1-CD1 3.7Å; F32-Y37 HydrophobicContact CE1-CE1 4.43Å; F32-Y37 AromaticContact CE2-CD1 3.95Å; F32-Y37 HydrophobicContact CE2-CD1 3.95Å; F32-Y37 HydrophobicContact CE2-CE1 4.02Å; F32-Y37 HydrophobicContact CG-CD1 4.14Å; F32-Y37 AromaticContact CZ-CD1 3.72Å; F32-Y37 HydrophobicContact CZ-CD1 3.72Å; F32-Y37 AromaticContact CZ-CE1 3.99Å; F32-Y37 HydrophobicContact CZ-CE1 3.99Å; Y37-I39 HydrophobicContact CD2-CG2 4.38Å; Y37-I39 HydrophobicContact CE2-CG2 3.7Å; Y37-L143 HydrophobicContact CD1-CD1 4.3Å; Y37-L143 HydrophobicContact CD2-CD1 3.97Å; Y37-L143 HydrophobicContact CE2-CD1 4.21Å; Y37-L143 HydrophobicContact CG-CD1 3.98Å; Y37-L143 WeakPolarHBondContact O-CA 2.98Å; Y37-K144 PolarHBondContact O-N 2.88Å
38	T	98.3	Very high	95.6	Very high	52 Å²	52	62.5 Å²	62.5	32%	0.319	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.4	179.2	-56.6	0	0	0	0	110.1	D36 K144	D36-T38 PolarHBondContact O-N 2.95Å; D36-T38 PolarHBondContact O-OG1 3.35Å; T38-K144 CarbonylContact C-O 3.6Å; T38-K144 WeakPolarHBondContact CA-O 3.5Å; T38-K144 HydrophobicContact CG2-CB 4.2Å; T38-K144 HydrophobicContact CG2-CD 4.09Å; T38-K144 HydrophobicContact CG2-CG 4.14Å
39	I	98.3	Very high	95.8	Very high	22 Å²	22	58.5 Å²	58.5	11%	0.113	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.5	167.6	64.1	175.5	0	0	0	109.9	H21 V23 Y37 V41 V47 L143 K144 V145 T146	H21-I39 HydrophobicContact CB-CD1 4.17Å; V23-I39 HydrophobicContact CG2-CD1 4.16Å; Y37-I39 HydrophobicContact CD2-CG2 4.38Å; Y37-I39 HydrophobicContact CE2-CG2 3.7Å; I39-V41 HydrophobicContact CD1-CG1 4.31Å; I39-V41 HydrophobicContact CG1-CG1 4.41Å; I39-V47 HydrophobicContact CD1-CG1 3.89Å; I39-V47 HydrophobicContact CD1-CG2 3.73Å; I39-L143 HydrophobicContact CD1-CD2 4.41Å; I39-L143 HydrophobicContact CG1-CD1 4.25Å; I39-L143 HydrophobicContact CG2-CD1 4.27Å; I39-K144 PolarHBondContact N-O 3.45Å; I39-V145 HydrophobicContact CD1-CG1 4.29Å; I39-V145 HydrophobicContact CD1-CG2 3.96Å; I39-V145 HydrophobicContact CG1-CB 4.21Å; I39-V145 HydrophobicContact CG1-CG1 3.95Å; I39-V145 HydrophobicContact CG1-CG2 3.81Å; I39-V145 WeakPolarHBondContact O-CA 3.45Å; I39-T146 PolarHBondContact O-N 2.95Å
40	H	97.8	Very high	95.9	Very high	109 Å²	109	58.4 Å²	58.4	51%	0.505	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.9	177.6	-71.7	-96.5	0	0	0	108.9	H21 T146 N148	H21-H40 PolarHBondContact CE1-O 2.97Å; H40-T146 WeakPolarHBondContact CA-O 3.43Å; H40-N148 PolarHBondContact ND1-OD1 2.96Å
41	V	97.6	Very high	96	Very high	1 Å²	1	55 Å²	55	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.5	-176.1	-53.2	0	0	0	0	110.1	H21 I39 D45 V47 F108 V145 T146 V147 N148	H21-V41 VanDerWaalsContact CD2-CG1 3.49Å; H21-V41 WeakPolarHBondContact CD2-CG1 3.44Å; I39-V41 HydrophobicContact CD1-CG1 4.31Å; I39-V41 HydrophobicContact CG1-CG1 4.41Å; V41-D45 HydrophobicContact CB-CB 4.27Å; V41-V47 HydrophobicContact CG1-CG2 3.91Å; V41-F108 HydrophobicContact CG2-CB 4.29Å; V41-F108 HydrophobicContact CG2-CD1 3.77Å; V41-F108 HydrophobicContact CG2-CD2 4.27Å; V41-F108 HydrophobicContact CG2-CE1 4.19Å; V41-F108 HydrophobicContact CG2-CG 3.81Å; V41-V145 HydrophobicContact CB-CG1 4.46Å; V41-V145 HydrophobicContact CG1-CG1 3.83Å; V41-V145 HydrophobicContact CG2-CG1 3.72Å; V41-T146 PolarHBondContact N-O 3.03Å; V41-V147 HydrophobicContact CG2-CB 4.48Å; V41-V147 HydrophobicContact CG2-CG2 4.02Å; V41-V147 CarbonylContact O-C 3.59Å; V41-V147 WeakPolarHBondContact O-CA 3.45Å; V41-N148 PolarHBondContact O-N 3.39Å
42	Q	96.6	Very high	96	Very high	100 Å²	100	49.7 Å²	49.7	47%	0.467	24%	0.238	S	C	.	.			trans	-93.9	165.2	167	-54.2	-65.3	76.5	0	0	110.6	D45 N148	Q42-D45 WeakPolarHBondContact CA-OD2 3.25Å; Q42-D45 VanDerWaalsContact CB-OD2 3.27Å; Q42-D45 WeakPolarHBondContact CB-OD2 3.44Å; Q42-D45 PolarHBondContact N-OD2 2.84Å; Q42-D45 WeakPolarHBondContact O-CB 3.32Å; Q42-D45 PolarHBondContact O-N 2.92Å; Q42-N148 PolarHBondContact OE1-ND2 3.46Å
43	L	95.3	Very high	96	Very high	28 Å²	28	51.4 Å²	51.4	15%	0.147	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	142	165.6	-78.1	-176	0	0	0	110.4	D45 F108 R110 F120 E122 V147	L43-D45 PolarHBondContact O-N 3.19Å; L43-F108 CarbonylContact C-O 3.53Å; L43-F108 WeakPolarHBondContact CA-O 3.39Å; L43-F108 VanDerWaalsContact CD2-O 3.23Å; L43-F108 WeakPolarHBondContact CD2-O 3.37Å; L43-R110 HydrophobicContact CD1-CB 4.27Å; L43-F120 HydrophobicContact CD2-CB 4.29Å; L43-E122 HydrophobicContact CD1-CG 3.52Å; L43-E122 HydrophobicContact CG-CG 3.66Å; L43-V147 HydrophobicContact CD2-CG1 3.98Å; L43-V147 HydrophobicContact CG-CG1 4.08Å
44	N	94.9	Very high	96.2	Very high	82 Å²	82	45 Å²	45	44%	0.439	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	-5.9	-175.2	-51.2	-60.3	0	0	0	116.1	A18 F108	A18-N44 WeakPolarHBondContact CB-O 3.05Å; N44-F108 PolarHBondContact N-O 2.95Å
45	D	97.6	Very high	96.1	Very high	13 Å²	13	47 Å²	47	7%	0.07	23%	0.228	C	C	.	.			trans	-65.2	162.8	169.8	-68.8	-12.4	0	0	0	111.2	D19 H21 V41 Q42 L43 F108	D19-D45 PolarHBondContact N-OD1 2.86Å; D19-D45 WeakPolarHBondContact O-CA 3.43Å; H21-D45 IonicContact NE2-OD2 3.36Å; V41-D45 HydrophobicContact CB-CB 4.27Å; Q42-D45 WeakPolarHBondContact CA-OD2 3.25Å; Q42-D45 VanDerWaalsContact CB-OD2 3.27Å; Q42-D45 WeakPolarHBondContact CB-OD2 3.44Å; Q42-D45 PolarHBondContact N-OD2 2.84Å; Q42-D45 WeakPolarHBondContact O-CB 3.32Å; Q42-D45 PolarHBondContact O-N 2.92Å; L43-D45 PolarHBondContact O-N 3.19Å; D45-F108 PolarHBondContact O-N 2.88Å
46	Y	98.1	Very high	95.7	Very high	66 Å²	66	48.5 Å²	48.5	26%	0.259	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140	177.6	-67.8	-99	0	0	0	111.3	A18 D19 R20 H21 E106 K107	A18-Y46 HydrophobicContact CB-CD2 4.11Å; A18-Y46 HydrophobicContact CB-CE2 4.06Å; D19-Y46 PolarHBondContact O-N 3.15Å; R20-Y46 WeakPolarHBondContact CA-O 3.42Å; H21-Y46 PolarHBondContact N-O 3.41Å; Y46-E106 CarbonylContact C-O 3.55Å; Y46-E106 VanDerWaalsContact CA-O 3.27Å; Y46-E106 WeakPolarHBondContact CA-O 3.08Å; Y46-K107 HydrophobicContact CD1-CB 3.94Å; Y46-K107 HydrophobicContact CD1-CG 4.23Å; Y46-K107 HydrophobicContact CE1-CB 3.67Å; Y46-K107 HydrophobicContact CE1-CD 3.99Å; Y46-K107 HydrophobicContact CE1-CG 3.79Å; Y46-K107 HydrophobicContact CE2-CD 4.36Å; Y46-K107 HydrophobicContact CE2-CG 4.2Å; Y46-K107 WeakPolarHBondContact OH-CD 3.39Å
47	V	98.6	Very high	94.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.3	164.9	-179.3	0	0	0	0	108.7	H21 V23 I39 V41 I49 E106 F108 V145	H21-V47 HydrophobicContact CB-CG2 4.28Å; H21-V47 CarbonylContact O-C 3.54Å; H21-V47 WeakPolarHBondContact O-CA 3.41Å; V23-V47 HydrophobicContact CG2-CG1 4.16Å; I39-V47 HydrophobicContact CD1-CG1 3.89Å; I39-V47 HydrophobicContact CD1-CG2 3.73Å; V41-V47 HydrophobicContact CG1-CG2 3.91Å; V47-I49 HydrophobicContact CG1-CG1 4.09Å; V47-E106 PolarHBondContact N-O 2.74Å; V47-E106 PolarHBondContact O-N 3.46Å; V47-F108 HydrophobicContact CB-CE2 3.75Å; V47-F108 HydrophobicContact CG2-CD2 3.87Å; V47-F108 HydrophobicContact CG2-CE2 3.25Å; V47-F108 HydrophobicContact CG2-CZ 4Å; V47-V145 HydrophobicContact CG2-CG1 4.47Å
48	D	98.5	Very high	94.1	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	104.5	175.7	-83.5	-11.1	0	0	0	109.2	R20 H21 T22 V23 I50 K103 L104 S105	R20-D48 IonicContact CZ-OD1 2.65Å; R20-D48 IonicContact CZ-OD2 3.76Å; R20-D48 IonicContact NE-OD2 3.16Å; R20-D48 PolarHBondContact NE-OD2 2.71Å; R20-D48 IonicContact NH2-OD1 3.95Å; R20-D48 PolarHBondContact NH2-OD1 2.81Å; R20-D48 IonicContact NH2-OD2 2.74Å; R20-D48 PolarHBondContact NH2-OD2 2.81Å; H21-D48 PolarHBondContact O-N 2.77Å; T22-D48 CarbonylContact C-O 3.58Å; T22-D48 WeakPolarHBondContact CA-O 3.41Å; V23-D48 PolarHBondContact N-O 3.05Å; D48-I50 HydrophobicContact CB-CD1 4.29Å; D48-K103 HydrophobicContact CB-CD 3.88Å; D48-K103 HydrophobicContact CB-CG 4.36Å; D48-K103 IonicContact OD1-NZ 3.77Å; D48-K103 IonicContact OD2-NZ 3.77Å; D48-K103 PolarHBondContact OD2-NZ 2.03Å; D48-L104 CarbonylContact C-O 3.58Å; D48-L104 WeakPolarHBondContact CA-O 3.34Å; D48-S105 VanDerWaalsContact OD1-CB 3.32Å; D48-S105 WeakPolarHBondContact OD1-CB 3.4Å; D48-S105 PolarHBondContact OD1-OG 2.88Å
49	I	98.7	Very high	93.6	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.3	172.8	-59.3	-179.6	0	0	0	108.1	V23 W25 V47 L69 K103 L104 Y128	V23-I49 HydrophobicContact CB-CG1 4.43Å; V23-I49 WeakPolarHBondContact O-CA 3.39Å; W25-I49 HydrophobicContact CB-CG2 3.75Å; W25-I49 HydrophobicContact CD2-CG2 4.16Å; W25-I49 HydrophobicContact CE3-CD1 4.3Å; W25-I49 HydrophobicContact CE3-CG2 3.75Å; W25-I49 HydrophobicContact CG-CG2 4.19Å; W25-I49 HydrophobicContact CZ3-CD1 4.27Å; V47-I49 HydrophobicContact CG1-CG1 4.09Å; I49-L69 HydrophobicContact CG2-CD1 3.9Å; I49-K103 WeakPolarHBondContact O-CA 3.29Å; I49-L104 HydrophobicContact CB-CB 4.34Å; I49-L104 HydrophobicContact CD1-CD2 4.3Å; I49-L104 PolarHBondContact N-O 3.4Å; I49-L104 PolarHBondContact O-N 2.87Å; I49-Y128 HydrophobicContact CD1-CD1 4.11Å; I49-Y128 HydrophobicContact CD1-CE1 4.38Å; I49-Y128 HydrophobicContact CD1-CG 4.43Å
50	I	98.6	Very high	93.2	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.097	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.2	-177.9	-46.7	-57.4	0	0	0	108.8	T22 V23 F24 W25 D48 P101 K103	T22-I50 HydrophobicContact CG2-CD1 4.16Å; T22-I50 HydrophobicContact CG2-CG1 3.59Å; V23-I50 PolarHBondContact O-N 3.25Å; F24-I50 HydrophobicContact CD1-CB 3.84Å; F24-I50 HydrophobicContact CD1-CG1 4.15Å; F24-I50 HydrophobicContact CD1-CG2 3.97Å; F24-I50 HydrophobicContact CE1-CB 4.2Å; F24-I50 HydrophobicContact CE1-CG1 4.12Å; F24-I50 HydrophobicContact CE1-CG2 4.09Å; W25-I50 PolarHBondContact N-O 3.25Å; D48-I50 HydrophobicContact CB-CD1 4.29Å; I50-P101 HydrophobicContact CG2-CB 3.52Å; I50-P101 HydrophobicContact CG2-CG 3.68Å; I50-K103 HydrophobicContact CD1-CB 4.11Å; I50-K103 HydrophobicContact CD1-CD 3.35Å; I50-K103 HydrophobicContact CD1-CG 3.65Å
51	C	98.2	Very high	92.8	Very high	7 Å²	7	57.9 Å²	57.9	5%	0.047	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-69.2	157.5	177	-65.7	0	0	0	0	112	H53 C92 E102	C51-H53 PolarHBondContact O-N 3.23Å; C51-C92 HydrophobicContact CB-CB 3.55Å; C51-C92 WeakPolarHBondContact CB-SG 3.49Å; C51-C92 WeakPolarHBondContact SG-CA 3.41Å; C51-C92 WeakPolarHBondContact SG-CB 3.41Å; C51-C92 CovalentContact SG-SG 2.04Å; C51-C92 PolarHBondContact SG-SG 2.82Å; C51-E102 HydrophobicContact CB-CB 4.05Å; C51-E102 WeakPolarHBondContact CB-O 3.39Å; C51-E102 PolarHBondContact N-O 2.97Å
52	P	96.9	Very high	92.4	Very high	8 Å²	8	61.8 Å²	61.8	5%	0.052	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-56.4	136.7	169.7	-18.7	29.8	0	0	0	110.8	W25 N26 Y54 E65 Y67	W25-P52 VanDerWaalsContact O-CD 3.27Å; W25-P52 WeakPolarHBondContact O-CD 3.27Å; W25-P52 VanDerWaalsContact O-CG 3.28Å; W25-P52 WeakPolarHBondContact O-CG 3.43Å; N26-P52 HydrophobicContact CB-CB 4.38Å; N26-P52 HydrophobicContact CB-CG 4.07Å; P52-Y54 HydrophobicContact CB-CE2 3.97Å; P52-E65 HydrophobicContact CB-CB 4.07Å; P52-E65 HydrophobicContact CG-CB 3.88Å; P52-Y67 HydrophobicContact CG-CD2 4.01Å; P52-Y67 HydrophobicContact CG-CE2 4.01Å
53	H	96.4	Very high	92	Very high	50 Å²	50	59.7 Å²	59.7	23%	0.231	34%	0.337	C	S	.	.			trans	-140.2	142.6	-179.7	-175.9	60.2	0	0	0	111.6	C51 P95 A97 P101	C51-H53 PolarHBondContact O-N 3.23Å; H53-P95 VanDerWaalsContact CA-O 3.32Å; H53-P95 WeakPolarHBondContact CA-O 3.27Å; H53-P95 PolarHBondContact ND1-O 2.85Å; H53-A97 PolarHBondContact CE1-O 3.07Å; H53-P101 HydrophobicContact CB-CB 3.68Å; H53-P101 HydrophobicContact CB-CG 4.5Å
54	Y	95	Very high	91.9	Very high	50 Å²	50	58.9 Å²	58.9	20%	0.196	33%	0.332	C	S	.	.			trans	-134	113.6	-175.4	-55.6	-96.4	0	0	0	107.7	P52 V59 M64 E65 P95	P52-Y54 HydrophobicContact CB-CE2 3.97Å; Y54-V59 HydrophobicContact CD1-CB 4.02Å; Y54-V59 HydrophobicContact CD1-CG1 4.32Å; Y54-V59 HydrophobicContact CD1-CG2 3.73Å; Y54-V59 HydrophobicContact CE1-CB 4.42Å; Y54-V59 HydrophobicContact CE1-CG1 4.26Å; Y54-V59 HydrophobicContact CE1-CG2 4.1Å; Y54-M64 HydrophobicContact CD1-CG 4.5Å; Y54-M64 HydrophobicContact CD2-CB 4.05Å; Y54-M64 HydrophobicContact CD2-CG 3.87Å; Y54-M64 HydrophobicContact CD2-SD 4.11Å; Y54-M64 HydrophobicContact CE2-CB 3.85Å; Y54-M64 HydrophobicContact CE2-CG 4.08Å; Y54-M64 HydrophobicContact CG-CG 4.09Å; Y54-M64 HydrophobicContact CG-SD 4.3Å; Y54-E65 PolarHBondContact OH-N 3.47Å; Y54-P95 HydrophobicContact CD2-CB 3.8Å; Y54-P95 HydrophobicContact CE2-CB 4.11Å; Y54-P95 PolarHBondContact N-O 3.31Å
55	E	85.6	Confident	91.9	Very high	171 Å²	171	56.2 Å²	56.2	80%	0.799	32%	0.317	S	S	*	.	S	Bend	trans	-78.4	-26	-173.4	-65.8	-173.5	-179.5	0	0	112.7
56	D	77.7	Confident	91.8	Very high	113 Å²	113	56.8 Å²	56.8	60%	0.604	32%	0.318	S	S	*	.	S	Bend	trans	-120.8	155.6	-176.9	-64.7	-41.5	0	0	0	112	S58	D56-S58 PolarHBondContact O-N 3.41Å
57	H	76.5	Confident	91.8	Very high	186 Å²	186	53.9 Å²	53.9	86%	0.861	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	22.8	168.2	-55.7	-56	0	0	0	113.2	V59	H57-V59 VanDerWaalsContact C-N 3.27Å
58	S	80	Confident	91.7	Very high	101 Å²	101	55.8 Å²	55.8	71%	0.706	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-26.2	178.3	59.2	0	0	0	0	112.2	D56	D56-S58 PolarHBondContact O-N 3.41Å
59	V	88.7	Confident	91.7	Very high	45 Å²	45	55.4 Å²	55.4	27%	0.273	32%	0.315	S	S	.	.	S	Bend	trans	-105.5	132.2	175.5	-177.2	0	0	0	0	108.8	Y54 H57 A63 M64	Y54-V59 HydrophobicContact CD1-CB 4.02Å; Y54-V59 HydrophobicContact CD1-CG1 4.32Å; Y54-V59 HydrophobicContact CD1-CG2 3.73Å; Y54-V59 HydrophobicContact CE1-CB 4.42Å; Y54-V59 HydrophobicContact CE1-CG1 4.26Å; Y54-V59 HydrophobicContact CE1-CG2 4.1Å; H57-V59 VanDerWaalsContact C-N 3.27Å; V59-A63 HydrophobicContact CG1-CB 3.81Å; V59-M64 HydrophobicContact CB-CE 4.33Å; V59-M64 HydrophobicContact CB-CG 4.35Å; V59-M64 HydrophobicContact CG1-CG 3.93Å; V59-M64 WeakPolarHBondContact O-CE 3.43Å
60	A	90.3	Very high	91.6	Very high	68 Å²	68	56.4 Å²	56.4	56%	0.562	32%	0.318	S	S	*	.			trans	-63.9	142.3	174	0	0	0	0	0	110.4	A62 A63 M64	A60-A62 PolarHBondContact O-N 2.81Å; A60-A62 VanDerWaalsContact O-N 3.09Å; A60-A63 WeakPolarHBondContact O-CA 3.32Å; A60-A63 WeakPolarHBondContact O-CB 3.41Å; A60-A63 PolarHBondContact O-N 2.97Å; A60-M64 PolarHBondContact O-N 2.72Å
61	D	89.1	Confident	91.6	Very high	98 Å²	98	56.5 Å²	56.5	52%	0.524	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-53.5	-37.3	-175.5	-171.1	71.1	0	0	0	113.6	A63 M64 R66	D61-A63 VanDerWaalsContact C-N 3.28Å; D61-A63 PolarHBondContact O-N 2.81Å; D61-M64 WeakPolarHBondContact O-CB 3.33Å; D61-M64 PolarHBondContact O-N 2.84Å; D61-R66 VanDerWaalsContact CG-NH2 3.27Å; D61-R66 PolarHBondContact O-NH1 3.09Å; D61-R66 IonicContact OD1-CZ 3.96Å; D61-R66 IonicContact OD1-NH2 3.29Å; D61-R66 PolarHBondContact OD1-NH2 3.38Å; D61-R66 IonicContact OD2-CZ 3.94Å; D61-R66 IonicContact OD2-NH1 2.71Å; D61-R66 IonicContact OD2-NH2 3.7Å; D61-R66 PolarHBondContact OD2-NH2 3.1Å
62	A	88.3	Confident	91.6	Very high	84 Å²	84	56.4 Å²	56.4	69%	0.694	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-69	-22.1	177.9	0	0	0	0	0	114.3	A60 Q135	A60-A62 PolarHBondContact O-N 2.81Å; A60-A62 VanDerWaalsContact O-N 3.09Å; A62-Q135 PolarHBondContact O-NE2 2.99Å
63	A	89.5	Confident	91.6	Very high	56 Å²	56	61.2 Å²	61.2	46%	0.463	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-91.1	-11.6	176.4	0	0	0	0	0	112.4	V59 A60 D61 E65	V59-A63 HydrophobicContact CG1-CB 3.81Å; A60-A63 WeakPolarHBondContact O-CA 3.32Å; A60-A63 WeakPolarHBondContact O-CB 3.41Å; A60-A63 PolarHBondContact O-N 2.97Å; D61-A63 VanDerWaalsContact C-N 3.28Å; D61-A63 PolarHBondContact O-N 2.81Å; A63-E65 PolarHBondContact O-N 3.01Å
64	M	93.5	Very high	91.7	Very high	11 Å²	11	64.7 Å²	64.7	5%	0.054	35%	0.351	C	S	.	.	S	Bend	trans	-72.8	117.7	177.1	-62.9	-175.9	-175.6	0	0	110.7	Y54 V59 A60 D61 R66 P95	Y54-M64 HydrophobicContact CD1-CG 4.5Å; Y54-M64 HydrophobicContact CD2-CB 4.05Å; Y54-M64 HydrophobicContact CD2-CG 3.87Å; Y54-M64 HydrophobicContact CD2-SD 4.11Å; Y54-M64 HydrophobicContact CE2-CB 3.85Å; Y54-M64 HydrophobicContact CE2-CG 4.08Å; Y54-M64 HydrophobicContact CG-CG 4.09Å; Y54-M64 HydrophobicContact CG-SD 4.3Å; V59-M64 HydrophobicContact CB-CE 4.33Å; V59-M64 HydrophobicContact CB-CG 4.35Å; V59-M64 HydrophobicContact CG1-CG 3.93Å; V59-M64 WeakPolarHBondContact O-CE 3.43Å; A60-M64 PolarHBondContact O-N 2.72Å; D61-M64 WeakPolarHBondContact O-CB 3.33Å; D61-M64 PolarHBondContact O-N 2.84Å; M64-R66 PolarHBondContact O-N 3.05Å; M64-R66 PolarHBondContact O-NH1 3.24Å; M64-R66 VanDerWaalsContact O-NH1 3.14Å; M64-P95 HydrophobicContact CB-CB 4.03Å; M64-P95 HydrophobicContact CB-CG 3.99Å; M64-P95 HydrophobicContact SD-CB 4.04Å; M64-P95 HydrophobicContact SD-CG 3.91Å
65	E	94.8	Very high	91.8	Very high	25 Å²	25	67.8 Å²	67.8	12%	0.117	37%	0.367	C	S	.	.			trans	-58.4	131.8	176.3	-67.1	179.2	-148.4	0	0	111.8	N26 S27 P52 Y54 A63 Y67	N26-E65 WeakPolarHBondContact CA-OE2 3.48Å; N26-E65 WeakPolarHBondContact CB-OE2 3.34Å; S27-E65 WeakPolarHBondContact CB-OE1 3.34Å; S27-E65 PolarHBondContact N-OE2 3.24Å; S27-E65 PolarHBondContact OG-OE1 3.22Å; P52-E65 HydrophobicContact CB-CB 4.07Å; P52-E65 HydrophobicContact CG-CB 3.88Å; Y54-E65 PolarHBondContact OH-N 3.47Å; A63-E65 PolarHBondContact O-N 3.01Å; E65-Y67 HydrophobicContact CB-CE2 3.78Å; E65-Y67 HydrophobicContact CG-CE2 4.41Å; E65-Y67 WeakPolarHBondContact OE2-CE2 3.39Å; E65-Y67 PolarHBondContact OE2-OH 2.94Å
66	R	95.8	Very high	92.3	Very high	26 Å²	26	60.4 Å²	60.4	10%	0.098	33%	0.333	C	S	.	.			trans	-140.6	136.6	176.4	-66.7	178.2	-178.6	82.7	-8.8	109.7	D61 M64 C92 P95 P132 I133	D61-R66 VanDerWaalsContact CG-NH2 3.27Å; D61-R66 PolarHBondContact O-NH1 3.09Å; D61-R66 IonicContact OD1-CZ 3.96Å; D61-R66 IonicContact OD1-NH2 3.29Å; D61-R66 PolarHBondContact OD1-NH2 3.38Å; D61-R66 IonicContact OD2-CZ 3.94Å; D61-R66 IonicContact OD2-NH1 2.71Å; D61-R66 IonicContact OD2-NH2 3.7Å; D61-R66 PolarHBondContact OD2-NH2 3.1Å; M64-R66 PolarHBondContact O-N 3.05Å; M64-R66 PolarHBondContact O-NH1 3.24Å; M64-R66 VanDerWaalsContact O-NH1 3.14Å; R66-C92 WeakPolarHBondContact CA-O 3.25Å; R66-C92 WeakPolarHBondContact CB-O 3.27Å; R66-P95 HydrophobicContact CG-CG 4.01Å; R66-P95 VanDerWaalsContact CZ-CG 3.44Å; R66-P132 WeakPolarHBondContact O-CA 3.05Å; R66-I133 HydrophobicContact CB-CB 4.19Å; R66-I133 HydrophobicContact CB-CD1 4.04Å; R66-I133 HydrophobicContact CB-CG1 4.22Å; R66-I133 PolarHBondContact O-N 2.82Å
67	Y	96.6	Very high	93.2	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.02	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.4	-169.3	-66.6	-64.6	0	0	0	112.7	W25 P52 E65 C92 K131 P132 L141	W25-Y67 AromaticContact CD1-CD2 3.97Å; P52-Y67 HydrophobicContact CG-CD2 4.01Å; P52-Y67 HydrophobicContact CG-CE2 4.01Å; E65-Y67 HydrophobicContact CB-CE2 3.78Å; E65-Y67 HydrophobicContact CG-CE2 4.41Å; E65-Y67 WeakPolarHBondContact OE2-CE2 3.39Å; E65-Y67 PolarHBondContact OE2-OH 2.94Å; Y67-C92 PolarHBondContact N-O 3.06Å; Y67-C92 VanDerWaalsContact N-O 3.14Å; Y67-C92 PolarHBondContact O-N 3.05Å; Y67-K131 WeakPolarHBondContact CA-O 3.43Å; Y67-P132 HydrophobicContact CD1-CB 4.33Å; Y67-P132 HydrophobicContact CE1-CB 4.16Å; Y67-L141 HydrophobicContact CE2-CD1 3.98Å
68	I	97.3	Very high	94.1	Very high	39 Å²	39	53.1 Å²	53.1	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.6	160.2	-52.8	-178.8	0	0	0	107.3	Y70 V88 Q91 S130 K131 I133	I68-Y70 HydrophobicContact CB-CE2 3.77Å; I68-Y70 HydrophobicContact CG2-CD2 4.31Å; I68-Y70 HydrophobicContact CG2-CE1 4.24Å; I68-Y70 HydrophobicContact CG2-CE2 3.59Å; I68-Y70 WeakPolarHBondContact O-CD2 3.31Å; I68-Y70 WeakPolarHBondContact O-CE2 3.23Å; I68-V88 HydrophobicContact CG2-CB 4.34Å; I68-V88 HydrophobicContact CG2-CG1 3.82Å; I68-V88 HydrophobicContact CG2-CG2 3.65Å; I68-Q91 HydrophobicContact CG1-CG 4.47Å; I68-Q91 HydrophobicContact CG2-CG 4.27Å; I68-S130 CarbonylContact O-C 3.57Å; I68-S130 WeakPolarHBondContact O-CA 3.43Å; I68-K131 PolarHBondContact N-O 2.87Å; I68-K131 PolarHBondContact O-N 2.9Å; I68-I133 HydrophobicContact CD1-CG1 4.37Å; I68-I133 HydrophobicContact CG1-CD1 4.09Å; I68-I133 HydrophobicContact CG1-CG1 3.75Å
69	L	97.8	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.6	177.4	-71.3	165	0	0	0	109.8	W25 I49 R89 W90	W25-L69 HydrophobicContact CD2-CD2 3.59Å; W25-L69 HydrophobicContact CE3-CD2 4.05Å; W25-L69 HydrophobicContact CG-CD2 4.08Å; W25-L69 HydrophobicContact CH2-CD2 3.99Å; W25-L69 HydrophobicContact CZ2-CD2 3.52Å; W25-L69 HydrophobicContact CZ3-CD2 4.22Å; I49-L69 HydrophobicContact CG2-CD1 3.9Å; L69-R89 PolarHBondContact O-N 2.76Å; L69-W90 HydrophobicContact CB-CB 4.13Å; L69-W90 HydrophobicContact CD1-CB 4.03Å; L69-W90 HydrophobicContact CD1-CG 4.47Å; L69-W90 PolarHBondContact N-O 3.4Å; L69-W90 PolarHBondContact O-N 2.87Å
70	Y	98	Very high	95.1	Very high	22 Å²	22	52.9 Å²	52.9	9%	0.086	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.7	178	-58.5	-98.6	0	0	0	109.6	I68 P82 Q87 V88 Y128 I129 K131	I68-Y70 HydrophobicContact CB-CE2 3.77Å; I68-Y70 HydrophobicContact CG2-CD2 4.31Å; I68-Y70 HydrophobicContact CG2-CE1 4.24Å; I68-Y70 HydrophobicContact CG2-CE2 3.59Å; I68-Y70 WeakPolarHBondContact O-CD2 3.31Å; I68-Y70 WeakPolarHBondContact O-CE2 3.23Å; Y70-P82 HydrophobicContact CD1-CB 3.53Å; Y70-P82 HydrophobicContact CD1-CG 3.88Å; Y70-P82 HydrophobicContact CD2-CB 4.38Å; Y70-P82 HydrophobicContact CD2-CG 4.15Å; Y70-P82 HydrophobicContact CE1-CB 3.85Å; Y70-P82 HydrophobicContact CE1-CG 3.76Å; Y70-P82 HydrophobicContact CE2-CG 4.05Å; Y70-P82 HydrophobicContact CG-CB 3.82Å; Y70-P82 HydrophobicContact CG-CG 4.08Å; Y70-Q87 WeakPolarHBondContact CA-O 3.43Å; Y70-Q87 HydrophobicContact CD1-CB 4.24Å; Y70-V88 HydrophobicContact CD1-CG2 3.94Å; Y70-V88 HydrophobicContact CE1-CG2 3.41Å; Y70-V88 VanDerWaalsContact CE1-CG2 3.41Å; Y70-Y128 VanDerWaalsContact O-CA 3.31Å; Y70-Y128 WeakPolarHBondContact O-CA 3.32Å; Y70-I129 HydrophobicContact CD2-CG1 4.44Å; Y70-I129 PolarHBondContact N-O 3.21Å; Y70-I129 PolarHBondContact O-N 3.36Å; Y70-I129 VanDerWaalsContact O-N 3.14Å; Y70-K131 HydrophobicContact CE2-CB 4.11Å; Y70-K131 HydrophobicContact CE2-CG 4.12Å
71	L	97.6	Very high	95.3	Very high	22 Å²	22	55.7 Å²	55.7	12%	0.115	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112	164.9	175.3	61.1	0	0	0	107.4	Q87 R89 K118 Y127 Y128	L71-Q87 PolarHBondContact N-O 3.32Å; L71-R89 HydrophobicContact CB-CB 4.1Å; L71-R89 HydrophobicContact CB-CG 4.28Å; L71-K118 HydrophobicContact CD2-CB 4.07Å; L71-K118 HydrophobicContact CD2-CD 3.65Å; L71-K118 HydrophobicContact CD2-CG 3.62Å; L71-Y127 WeakPolarHBondContact CD1-O 3.43Å; L71-Y128 HydrophobicContact CB-CE1 4.39Å; L71-Y128 HydrophobicContact CD1-CD1 4.45Å; L71-Y128 HydrophobicContact CD1-CD2 4.38Å; L71-Y128 HydrophobicContact CD1-CE1 4.13Å; L71-Y128 HydrophobicContact CD1-CE2 4.03Å
72	V	97.8	Very high	95.6	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.024	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	168.4	-167	-61.3	0	0	0	0	112	E76 P82 Y127 I129	V72-E76 HydrophobicContact CB-CB 3.74Å; V72-E76 HydrophobicContact CB-CG 4.48Å; V72-E76 HydrophobicContact CG1-CB 4.33Å; V72-E76 HydrophobicContact CG2-CB 4.01Å; V72-P82 HydrophobicContact CG1-CB 4.17Å; V72-Y127 PolarHBondContact N-O 3.24Å; V72-I129 HydrophobicContact CG1-CD1 3.91Å; V72-I129 HydrophobicContact CG1-CG1 3.94Å; V72-I129 HydrophobicContact CG2-CD1 4.07Å; V72-I129 HydrophobicContact CG2-CG1 3.96Å; V72-I129 HydrophobicContact CG2-CG2 4.05Å
73	E	97.6	Very high	95.9	Very high	110 Å²	110	56.3 Å²	56.3	51%	0.514	27%	0.274	S	S	.	.			trans	-79.5	171.6	170.8	-60.6	-56.6	144.4	0	0	111.6	E75 E76 Y77	E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 2.78Å; E73-E76 WeakPolarHBondContact CB-OE2 3.48Å; E73-E76 PolarHBondContact N-OE2 2.93Å; E73-E76 PolarHBondContact O-N 3.46Å; E73-Y77 PolarHBondContact O-N 2.92Å
74	R	97.6	Very high	96.1	Very high	122 Å²	122	55.9 Å²	55.9	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-41.6	-171.7	180	-174	-69.8	-118.4	3	112.3	Y77 Q78 Y127	R74-Y77 WeakPolarHBondContact O-CB 2.9Å; R74-Y77 PolarHBondContact O-N 2.71Å; R74-Q78 WeakPolarHBondContact O-CG 3.37Å; R74-Q78 PolarHBondContact O-N 2.99Å; R74-Q78 VanDerWaalsContact O-N 3.07Å; R74-Y127 HydrophobicContact CB-CD2 4.32Å; R74-Y127 HydrophobicContact CB-CE2 3.76Å; R74-Y127 HydrophobicContact CG-CE2 4.34Å; R74-Y127 PolarHBondContact NE-OH 3.29Å; R74-Y127 PolarHBondContact NH2-OH 3.35Å; R74-Y127 VanDerWaalsContact NH2-OH 3.16Å
75	E	97.4	Very high	96	Very high	116 Å²	116	64 Å²	64	54%	0.542	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-43.9	-176.4	-64.3	66.5	-144.1	0	0	110.3	E73 Y77 Q78 L79	E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 2.78Å; E75-Y77 VanDerWaalsContact C-N 3.34Å; E75-Y77 PolarHBondContact O-N 3.13Å; E75-Q78 PolarHBondContact O-N 3.03Å; E75-L79 WeakPolarHBondContact O-CG 3.47Å; E75-L79 PolarHBondContact O-N 3.1Å
76	E	97.1	Very high	95.8	Very high	16 Å²	16	69.9 Å²	69.9	8%	0.075	33%	0.334	C	S	.	.	H	α-helix	trans	-64.4	-37.1	175.9	-64.3	173.7	99.7	0	0	112.4	V72 E73 L79 C80 Q81 Q83 Q87	V72-E76 HydrophobicContact CB-CB 3.74Å; V72-E76 HydrophobicContact CB-CG 4.48Å; V72-E76 HydrophobicContact CG1-CB 4.33Å; V72-E76 HydrophobicContact CG2-CB 4.01Å; E73-E76 WeakPolarHBondContact CB-OE2 3.48Å; E73-E76 PolarHBondContact N-OE2 2.93Å; E73-E76 PolarHBondContact O-N 3.46Å; E76-L79 CarbonylContact O-C 3.58Å; E76-L79 PolarHBondContact O-N 3.16Å; E76-C80 CarbonylContact O-C 3.54Å; E76-C80 WeakPolarHBondContact O-CA 3.44Å; E76-C80 PolarHBondContact O-N 2.92Å; E76-Q81 VanDerWaalsContact CB-O 3.25Å; E76-Q81 WeakPolarHBondContact CB-O 3.46Å; E76-Q81 PolarHBondContact O-N 2.85Å; E76-Q83 WeakPolarHBondContact OE1-CB 3.46Å; E76-Q83 PolarHBondContact OE1-N 2.86Å; E76-Q87 VanDerWaalsContact CD-NE2 3.3Å; E76-Q87 PolarHBondContact OE1-NE2 2.68Å; E76-Q87 PolarHBondContact OE1-OE1 3.14Å; E76-Q87 PolarHBondContact OE2-NE2 3.19Å
77	Y	97	Very high	95.7	Very high	22 Å²	22	70.6 Å²	70.6	9%	0.086	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-40	173.6	169.9	-90.7	0	0	0	112.6	E73 R74 E75 C80 Y127 I129 R142	E73-Y77 PolarHBondContact O-N 2.92Å; R74-Y77 WeakPolarHBondContact O-CB 2.9Å; R74-Y77 PolarHBondContact O-N 2.71Å; E75-Y77 VanDerWaalsContact C-N 3.34Å; E75-Y77 PolarHBondContact O-N 3.13Å; Y77-C80 PolarHBondContact O-N 2.91Å; Y77-Y127 AromaticContact CD1-CD1 3.74Å; Y77-Y127 HydrophobicContact CD1-CD1 3.74Å; Y77-Y127 HydrophobicContact CD1-CE1 4.24Å; Y77-Y127 AromaticContact CD2-CD1 3.76Å; Y77-Y127 HydrophobicContact CD2-CD1 3.76Å; Y77-Y127 HydrophobicContact CD2-CG 4.13Å; Y77-Y127 HydrophobicContact CE1-CD1 4.13Å; Y77-Y127 HydrophobicContact CE2-CD1 4.1Å; Y77-Y127 AromaticContact CG-CD1 3.55Å; Y77-Y127 HydrophobicContact CG-CD1 3.55Å; Y77-Y127 HydrophobicContact CG-CE1 4.46Å; Y77-Y127 AromaticContact CG-CG 3.93Å; Y77-Y127 HydrophobicContact CG-CG 3.93Å; Y77-I129 HydrophobicContact CD2-CG2 3.87Å; Y77-I129 HydrophobicContact CG-CG2 4.5Å; Y77-R142 HydrophobicContact CD2-CB 3.88Å; Y77-R142 HydrophobicContact CD2-CG 4.28Å; Y77-R142 HydrophobicContact CE2-CB 3.45Å; Y77-R142 VanDerWaalsContact CE2-CB 3.45Å; Y77-R142 HydrophobicContact CE2-CG 3.54Å; Y77-R142 VanDerWaalsContact CZ-CD 3.47Å; Y77-R142 PolarHBondContact O-NH1 2.92Å
78	Q	95.3	Very high	95.7	Very high	123 Å²	123	72.9 Å²	72.9	58%	0.575	35%	0.353	S	S	*	.	H	α-helix	trans	-68	-42.3	177	-70.9	175.4	-5.5	0	0	111.6	R74 E75 C80	R74-Q78 WeakPolarHBondContact O-CG 3.37Å; R74-Q78 PolarHBondContact O-N 2.99Å; R74-Q78 VanDerWaalsContact O-N 3.07Å; E75-Q78 PolarHBondContact O-N 3.03Å; Q78-C80 PolarHBondContact O-N 3.44Å
79	L	94.8	Very high	95.7	Very high	128 Å²	128	74.5 Å²	74.5	67%	0.67	36%	0.357	S	S	*	.	H	α-helix	trans	-79.5	-6.5	178.2	-63.1	175.3	0	0	0	113.3	E75 E76 Q81	E75-L79 WeakPolarHBondContact O-CG 3.47Å; E75-L79 PolarHBondContact O-N 3.1Å; E76-L79 CarbonylContact O-C 3.58Å; E76-L79 PolarHBondContact O-N 3.16Å; L79-Q81 HydrophobicContact CB-CB 4.38Å; L79-Q81 PolarHBondContact O-N 2.81Å
80	C	93.9	Very high	95.7	Very high	13 Å²	13	78.8 Å²	78.8	9%	0.088	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	36.4	-173.9	-96.1	0	0	0	0	112.2	E76 Y77 Q78 K131 C140	E76-C80 CarbonylContact O-C 3.54Å; E76-C80 WeakPolarHBondContact O-CA 3.44Å; E76-C80 PolarHBondContact O-N 2.92Å; Y77-C80 PolarHBondContact O-N 2.91Å; Q78-C80 PolarHBondContact O-N 3.44Å; C80-K131 WeakPolarHBondContact O-CE 3.39Å; C80-K131 PolarHBondContact O-NZ 3.44Å; C80-C140 VanDerWaalsContact CA-SG 3.52Å; C80-C140 HydrophobicContact CB-CB 3.64Å; C80-C140 WeakPolarHBondContact CB-SG 3.49Å; C80-C140 WeakPolarHBondContact SG-CB 3.44Å; C80-C140 CovalentContact SG-SG 2.03Å; C80-C140 PolarHBondContact SG-SG 3.17Å
81	Q	94.6	Very high	95.7	Very high	127 Å²	127	82.2 Å²	82.2	59%	0.593	39%	0.39	S	S	*	.			trans	-140.1	116.4	-172.9	-174.2	168.6	11.4	0	0	111.5	E76 L79	E76-Q81 VanDerWaalsContact CB-O 3.25Å; E76-Q81 WeakPolarHBondContact CB-O 3.46Å; E76-Q81 PolarHBondContact O-N 2.85Å; L79-Q81 HydrophobicContact CB-CB 4.38Å; L79-Q81 PolarHBondContact O-N 2.81Å
82	P	95.3	Very high	95.7	Very high	26 Å²	26	81.3 Å²	81.3	17%	0.169	39%	0.385	C	S	.	.			trans	-73.4	144.3	174.1	31.5	-33.2	0	0	0	110.5	Y70 V72 I129	Y70-P82 HydrophobicContact CD1-CB 3.53Å; Y70-P82 HydrophobicContact CD1-CG 3.88Å; Y70-P82 HydrophobicContact CD2-CB 4.38Å; Y70-P82 HydrophobicContact CD2-CG 4.15Å; Y70-P82 HydrophobicContact CE1-CB 3.85Å; Y70-P82 HydrophobicContact CE1-CG 3.76Å; Y70-P82 HydrophobicContact CE2-CG 4.05Å; Y70-P82 HydrophobicContact CG-CB 3.82Å; Y70-P82 HydrophobicContact CG-CG 4.08Å; V72-P82 HydrophobicContact CG1-CB 4.17Å; P82-I129 HydrophobicContact CB-CD1 4.4Å
83	Q	95.4	Very high	95.6	Very high	170 Å²	170	84.3 Å²	84.3	79%	0.794	40%	0.401	S	S	*	.	S	Bend	trans	-78.4	-36.6	-179.9	-177.6	-179.7	-16.4	0	0	112	E76	E76-Q83 WeakPolarHBondContact OE1-CB 3.46Å; E76-Q83 PolarHBondContact OE1-N 2.86Å
84	S	93.1	Very high	95.5	Very high	47 Å²	47	86.7 Å²	86.7	33%	0.329	41%	0.406	S	S	.	.			trans	-139.1	155.4	-178.1	-178.4	0	0	0	0	113	D86 Q87	S84-D86 PolarHBondContact O-N 2.83Å; S84-D86 PolarHBondContact OG-N 2.9Å; S84-D86 VanDerWaalsContact OG-N 3.1Å; S84-D86 PolarHBondContact OG-OD2 3.25Å; S84-Q87 PolarHBondContact O-N 3.27Å; S84-Q87 PolarHBondContact O-OE1 2.79Å
85	K	90.8	Very high	95.4	Very high	180 Å²	180	81.1 Å²	81.1	78%	0.783	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-66.2	-18.9	168.1	-66.6	-175.7	179.1	-179.1	0	112.6	Q87 V88	K85-Q87 PolarHBondContact O-N 2.83Å; K85-V88 WeakPolarHBondContact O-CB 3.18Å; K85-V88 WeakPolarHBondContact O-CG2 3.46Å; K85-V88 PolarHBondContact O-N 2.84Å
86	D	90.9	Very high	95.3	Very high	149 Å²	149	78.8 Å²	78.8	80%	0.797	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-73.2	-15.8	178.7	-55.6	-37.2	0	0	0	112.6	S84 V88	S84-D86 PolarHBondContact O-N 2.83Å; S84-D86 PolarHBondContact OG-N 2.9Å; S84-D86 VanDerWaalsContact OG-N 3.1Å; S84-D86 PolarHBondContact OG-OD2 3.25Å; D86-V88 PolarHBondContact O-N 2.92Å
87	Q	94.4	Very high	95.1	Very high	42 Å²	42	79.1 Å²	79.1	20%	0.196	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-81.4	2.2	175.7	-67.1	168.2	-60.8	0	0	113.3	Y70 L71 E76 S84 K85 R89	Y70-Q87 WeakPolarHBondContact CA-O 3.43Å; Y70-Q87 HydrophobicContact CD1-CB 4.24Å; L71-Q87 PolarHBondContact N-O 3.32Å; E76-Q87 VanDerWaalsContact CD-NE2 3.3Å; E76-Q87 PolarHBondContact OE1-NE2 2.68Å; E76-Q87 PolarHBondContact OE1-OE1 3.14Å; E76-Q87 PolarHBondContact OE2-NE2 3.19Å; S84-Q87 PolarHBondContact O-N 3.27Å; S84-Q87 PolarHBondContact O-OE1 2.79Å; K85-Q87 PolarHBondContact O-N 2.83Å; Q87-R89 PolarHBondContact O-N 3.41Å; Q87-R89 VanDerWaalsContact O-N 3.14Å
88	V	96.9	Very high	94.9	Very high	52 Å²	52	87.8 Å²	87.8	32%	0.315	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	119.5	176.3	171.2	0	0	0	0	109.3	I68 Y70 K85 D86 Q91	I68-V88 HydrophobicContact CG2-CB 4.34Å; I68-V88 HydrophobicContact CG2-CG1 3.82Å; I68-V88 HydrophobicContact CG2-CG2 3.65Å; Y70-V88 HydrophobicContact CD1-CG2 3.94Å; Y70-V88 HydrophobicContact CE1-CG2 3.41Å; Y70-V88 VanDerWaalsContact CE1-CG2 3.41Å; K85-V88 WeakPolarHBondContact O-CB 3.18Å; K85-V88 WeakPolarHBondContact O-CG2 3.46Å; K85-V88 PolarHBondContact O-N 2.84Å; D86-V88 PolarHBondContact O-N 2.92Å; V88-Q91 HydrophobicContact CG1-CG 4.19Å
89	R	97.2	Very high	94.8	Very high	74 Å²	74	91.2 Å²	91.2	28%	0.279	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-35	-180	-173.2	64.1	-170.5	88.5	-6.2	112.4	L69 L71 Q87 L104 E106 Y128	L69-R89 PolarHBondContact O-N 2.76Å; L71-R89 HydrophobicContact CB-CB 4.1Å; L71-R89 HydrophobicContact CB-CG 4.28Å; Q87-R89 PolarHBondContact O-N 3.41Å; Q87-R89 VanDerWaalsContact O-N 3.14Å; R89-L104 HydrophobicContact CG-CD2 3.95Å; R89-E106 IonicContact CZ-OE1 2.76Å; R89-E106 IonicContact CZ-OE2 2.75Å; R89-E106 IonicContact NE-OE1 3.39Å; R89-E106 IonicContact NE-OE2 3.21Å; R89-E106 PolarHBondContact NE-OE2 2.78Å; R89-E106 IonicContact NH2-OE1 2.92Å; R89-E106 PolarHBondContact NH2-OE1 3.26Å; R89-E106 IonicContact NH2-OE2 3.83Å; R89-E106 PolarHBondContact NH2-OE2 2.84Å; R89-Y128 HydrophobicContact CG-CE1 4.22Å
90	W	97.7	Very high	94.7	Very high	90 Å²	90	86.1 Å²	86.1	34%	0.341	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	162.1	179.2	-167	-103.7	0	0	0	112.2	L69 L104	L69-W90 HydrophobicContact CB-CB 4.13Å; L69-W90 HydrophobicContact CD1-CB 4.03Å; L69-W90 HydrophobicContact CD1-CG 4.47Å; L69-W90 PolarHBondContact N-O 3.4Å; L69-W90 PolarHBondContact O-N 2.87Å; W90-L104 HydrophobicContact CB-CB 4.15Å; W90-L104 HydrophobicContact CB-CD1 4.36Å; W90-L104 HydrophobicContact CB-CD2 3.96Å; W90-L104 HydrophobicContact CB-CG 4.38Å; W90-L104 HydrophobicContact CD2-CB 3.94Å; W90-L104 HydrophobicContact CD2-CD1 4.19Å; W90-L104 HydrophobicContact CE3-CB 4.42Å; W90-L104 HydrophobicContact CE3-CD1 3.84Å; W90-L104 HydrophobicContact CG-CB 3.81Å; W90-L104 HydrophobicContact CG-CD1 4.45Å; W90-L104 HydrophobicContact CG-CG 4.47Å; W90-L104 HydrophobicContact CZ3-CD1 4.49Å
91	Q	97.6	Very high	94.9	Very high	93 Å²	93	88.3 Å²	88.3	44%	0.435	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119	175.1	-65.7	178.8	51.2	0	0	109.5	I68 V88 N93	I68-Q91 HydrophobicContact CG1-CG 4.47Å; I68-Q91 HydrophobicContact CG2-CG 4.27Å; V88-Q91 HydrophobicContact CG1-CG 4.19Å; Q91-N93 PolarHBondContact O-N 2.61Å
92	C	97.3	Very high	95	Very high	4 Å²	4	83.5 Å²	83.5	3%	0.027	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	83	169.6	-65.8	0	0	0	0	108.3	C51 R66 Y67	C51-C92 HydrophobicContact CB-CB 3.55Å; C51-C92 WeakPolarHBondContact CB-SG 3.49Å; C51-C92 WeakPolarHBondContact SG-CA 3.41Å; C51-C92 WeakPolarHBondContact SG-CB 3.41Å; C51-C92 CovalentContact SG-SG 2.04Å; C51-C92 PolarHBondContact SG-SG 2.82Å; R66-C92 WeakPolarHBondContact CA-O 3.25Å; R66-C92 WeakPolarHBondContact CB-O 3.27Å; Y67-C92 PolarHBondContact N-O 3.06Å; Y67-C92 VanDerWaalsContact N-O 3.14Å; Y67-C92 PolarHBondContact O-N 3.05Å
93	N	96	Very high	95.1	Very high	67 Å²	67	86.6 Å²	86.6	36%	0.358	42%	0.421	S	S	.	.			trans	-116.6	-5.4	-172.4	65.1	2.7	0	0	0	114	Q91 P95 E102 I133	Q91-N93 PolarHBondContact O-N 2.61Å; N93-P95 VanDerWaalsContact C-CD 3.43Å; N93-P95 VanDerWaalsContact O-CD 3.22Å; N93-P95 WeakPolarHBondContact O-CD 3.04Å; N93-E102 PolarHBondContact N-OE2 2.87Å; N93-I133 HydrophobicContact CB-CD1 4.08Å
94	R	95.4	Very high	95.2	Very high	160 Å²	160	78.7 Å²	78.7	60%	0.604	39%	0.385	S	S	*	.			trans	-115.5	73.7	176.2	-50.8	-173.6	-172.5	111.7	-7.9	112.4	S96 A97 E102	R94-S96 PolarHBondContact O-N 2.87Å; R94-A97 HydrophobicContact CB-CB 4.01Å; R94-A97 WeakPolarHBondContact O-CB 3.36Å; R94-A97 PolarHBondContact O-N 2.87Å; R94-E102 HydrophobicContact CB-CG 4.25Å; R94-E102 WeakPolarHBondContact CB-OE1 3.44Å; R94-E102 VanDerWaalsContact CD-OE1 3.27Å; R94-E102 WeakPolarHBondContact CD-OE1 3.36Å; R94-E102 VanDerWaalsContact CG-OE1 3.24Å; R94-E102 WeakPolarHBondContact CG-OE1 3.19Å; R94-E102 IonicContact CZ-OE1 3.63Å; R94-E102 PolarHBondContact N-OE2 2.97Å; R94-E102 IonicContact NE-OE1 3.77Å; R94-E102 IonicContact NH1-OE1 2.8Å; R94-E102 PolarHBondContact NH1-OE1 2.84Å
95	P	95.2	Very high	95.4	Very high	4 Å²	4	79 Å²	79	3%	0.026	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23	-178.4	25.5	-33.6	0	0	0	113.9	H53 Y54 M64 R66 N93	H53-P95 VanDerWaalsContact CA-O 3.32Å; H53-P95 WeakPolarHBondContact CA-O 3.27Å; H53-P95 PolarHBondContact ND1-O 2.85Å; Y54-P95 HydrophobicContact CD2-CB 3.8Å; Y54-P95 HydrophobicContact CE2-CB 4.11Å; Y54-P95 PolarHBondContact N-O 3.31Å; M64-P95 HydrophobicContact CB-CB 4.03Å; M64-P95 HydrophobicContact CB-CG 3.99Å; M64-P95 HydrophobicContact SD-CB 4.04Å; M64-P95 HydrophobicContact SD-CG 3.91Å; R66-P95 HydrophobicContact CG-CG 4.01Å; R66-P95 VanDerWaalsContact CZ-CG 3.44Å; N93-P95 VanDerWaalsContact C-CD 3.43Å; N93-P95 VanDerWaalsContact O-CD 3.22Å; N93-P95 WeakPolarHBondContact O-CD 3.04Å
96	S	94.6	Very high	95.7	Very high	68 Å²	68	71 Å²	71	48%	0.476	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	31.3	178.5	67.7	0	0	0	0	112.8	R94 K98	R94-S96 PolarHBondContact O-N 2.87Å; S96-K98 PolarHBondContact O-N 2.9Å
97	A	93.8	Very high	96	Very high	22 Å²	22	67 Å²	67	18%	0.182	33%	0.328	C	S	.	.			trans	-61.3	129.3	-178.5	0	0	0	0	0	112.2	H53 R94 H99 G100	H53-A97 PolarHBondContact CE1-O 3.07Å; R94-A97 HydrophobicContact CB-CB 4.01Å; R94-A97 WeakPolarHBondContact O-CB 3.36Å; R94-A97 PolarHBondContact O-N 2.87Å; A97-H99 PolarHBondContact O-N 2.91Å; A97-H99 VanDerWaalsContact O-N 3.08Å; A97-G100 WeakPolarHBondContact CB-O 3.4Å; A97-G100 PolarHBondContact O-N 3.15Å
98	K	92.1	Very high	96.1	Very high	204 Å²	204	65 Å²	65	89%	0.887	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.6	-175.5	-63.6	-174.3	-180	-177.2	0	115.1	S96	S96-K98 PolarHBondContact O-N 2.9Å
99	H	93	Very high	96.1	Very high	195 Å²	195	64.6 Å²	64.6	90%	0.903	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	18.3	-177.1	-57.4	-55.1	0	0	0	112.6	A97	A97-H99 PolarHBondContact O-N 2.91Å; A97-H99 VanDerWaalsContact O-N 3.08Å
100	G	94.3	Very high	96	Very high	21 Å²	21	67.9 Å²	67.9	22%	0.216	33%	0.326	C	S	.	.	S	Bend	trans	87.8	-170.8	-174.6	0	0	0	0	0	112.8	A97	A97-G100 WeakPolarHBondContact CB-O 3.4Å; A97-G100 PolarHBondContact O-N 3.15Å
101	P	96.7	Very high	95.9	Very high	60 Å²	60	70.4 Å²	70.4	39%	0.39	34%	0.339	S	S	.	.	S	Bend	trans	-63	139.1	-175.6	24.3	-33.7	0	0	0	112.5	I50 H53	I50-P101 HydrophobicContact CG2-CB 3.52Å; I50-P101 HydrophobicContact CG2-CG 3.68Å; H53-P101 HydrophobicContact CB-CB 3.68Å; H53-P101 HydrophobicContact CB-CG 4.5Å
102	E	97.1	Very high	95.8	Very high	25 Å²	25	67.4 Å²	67.4	12%	0.117	33%	0.327	C	S	.	.			trans	-62	143.7	167	-64.8	-174.1	131.9	0	0	110.2	C51 N93 R94	C51-E102 HydrophobicContact CB-CB 4.05Å; C51-E102 WeakPolarHBondContact CB-O 3.39Å; C51-E102 PolarHBondContact N-O 2.97Å; N93-E102 PolarHBondContact N-OE2 2.87Å; R94-E102 HydrophobicContact CB-CG 4.25Å; R94-E102 WeakPolarHBondContact CB-OE1 3.44Å; R94-E102 VanDerWaalsContact CD-OE1 3.27Å; R94-E102 WeakPolarHBondContact CD-OE1 3.36Å; R94-E102 VanDerWaalsContact CG-OE1 3.24Å; R94-E102 WeakPolarHBondContact CG-OE1 3.19Å; R94-E102 IonicContact CZ-OE1 3.63Å; R94-E102 PolarHBondContact N-OE2 2.97Å; R94-E102 IonicContact NE-OE1 3.77Å; R94-E102 IonicContact NH1-OE1 2.8Å; R94-E102 PolarHBondContact NH1-OE1 2.84Å
103	K	96.8	Very high	95.6	Very high	91 Å²	91	73.5 Å²	73.5	40%	0.396	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125.7	-175.6	179.3	169	84.2	162.9	0	111.6	D48 I49 I50 S105	D48-K103 HydrophobicContact CB-CD 3.88Å; D48-K103 HydrophobicContact CB-CG 4.36Å; D48-K103 IonicContact OD1-NZ 3.77Å; D48-K103 IonicContact OD2-NZ 3.77Å; D48-K103 PolarHBondContact OD2-NZ 2.03Å; I49-K103 WeakPolarHBondContact O-CA 3.29Å; I50-K103 HydrophobicContact CD1-CB 4.11Å; I50-K103 HydrophobicContact CD1-CD 3.35Å; I50-K103 HydrophobicContact CD1-CG 3.65Å; K103-S105 WeakPolarHBondContact CE-OG 3.42Å
104	L	97.8	Very high	95.3	Very high	5 Å²	5	76.1 Å²	76.1	3%	0.026	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.4	161.2	170.8	67	0	0	0	108.2	D48 I49 R89 W90	D48-L104 CarbonylContact C-O 3.58Å; D48-L104 WeakPolarHBondContact CA-O 3.34Å; I49-L104 HydrophobicContact CB-CB 4.34Å; I49-L104 HydrophobicContact CD1-CD2 4.3Å; I49-L104 PolarHBondContact N-O 3.4Å; I49-L104 PolarHBondContact O-N 2.87Å; R89-L104 HydrophobicContact CG-CD2 3.95Å; W90-L104 HydrophobicContact CB-CB 4.15Å; W90-L104 HydrophobicContact CB-CD1 4.36Å; W90-L104 HydrophobicContact CB-CD2 3.96Å; W90-L104 HydrophobicContact CB-CG 4.38Å; W90-L104 HydrophobicContact CD2-CB 3.94Å; W90-L104 HydrophobicContact CD2-CD1 4.19Å; W90-L104 HydrophobicContact CE3-CB 4.42Å; W90-L104 HydrophobicContact CE3-CD1 3.84Å; W90-L104 HydrophobicContact CG-CB 3.81Å; W90-L104 HydrophobicContact CG-CD1 4.45Å; W90-L104 HydrophobicContact CG-CG 4.47Å; W90-L104 HydrophobicContact CZ3-CD1 4.49Å
105	S	97.5	Very high	94.9	Very high	54 Å²	54	75 Å²	75	38%	0.378	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.8	169.7	-67.9	0	0	0	0	109.2	D48 K103	D48-S105 VanDerWaalsContact OD1-CB 3.32Å; D48-S105 WeakPolarHBondContact OD1-CB 3.4Å; D48-S105 PolarHBondContact OD1-OG 2.88Å; K103-S105 WeakPolarHBondContact CE-OG 3.42Å
106	E	97.4	Very high	94.4	Very high	12 Å²	12	81.8 Å²	81.8	6%	0.056	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.9	174.1	-172	76.8	-100	0	0	109.7	Y46 V47 R89 F108 F120 Y128	Y46-E106 CarbonylContact C-O 3.55Å; Y46-E106 VanDerWaalsContact CA-O 3.27Å; Y46-E106 WeakPolarHBondContact CA-O 3.08Å; V47-E106 PolarHBondContact N-O 2.74Å; V47-E106 PolarHBondContact O-N 3.46Å; R89-E106 IonicContact CZ-OE1 2.76Å; R89-E106 IonicContact CZ-OE2 2.75Å; R89-E106 IonicContact NE-OE1 3.39Å; R89-E106 IonicContact NE-OE2 3.21Å; R89-E106 PolarHBondContact NE-OE2 2.78Å; R89-E106 IonicContact NH2-OE1 2.92Å; R89-E106 PolarHBondContact NH2-OE1 3.26Å; R89-E106 IonicContact NH2-OE2 3.83Å; R89-E106 PolarHBondContact NH2-OE2 2.84Å; E106-F108 HydrophobicContact CB-CE2 4.11Å; E106-F108 HydrophobicContact CG-CD2 4.3Å; E106-F108 HydrophobicContact CG-CE2 3.81Å; E106-F108 HydrophobicContact CG-CZ 4.27Å; E106-F120 HydrophobicContact CG-CE2 3.93Å; E106-F120 HydrophobicContact CG-CZ 3.58Å; E106-Y128 WeakPolarHBondContact CG-OH 3.41Å; E106-Y128 PolarHBondContact OE2-OH 3.35Å
107	K	96.9	Very high	94.1	Very high	65 Å²	65	79.9 Å²	79.9	28%	0.283	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.1	170.2	-171.6	-176.3	179.5	-176.8	0	109.2	Y46 Q109 F120	Y46-K107 HydrophobicContact CD1-CB 3.94Å; Y46-K107 HydrophobicContact CD1-CG 4.23Å; Y46-K107 HydrophobicContact CE1-CB 3.67Å; Y46-K107 HydrophobicContact CE1-CD 3.99Å; Y46-K107 HydrophobicContact CE1-CG 3.79Å; Y46-K107 HydrophobicContact CE2-CD 4.36Å; Y46-K107 HydrophobicContact CE2-CG 4.2Å; Y46-K107 WeakPolarHBondContact OH-CD 3.39Å; K107-Q109 HydrophobicContact CD-CB 4.18Å; K107-Q109 HydrophobicContact CG-CB 4.21Å; K107-Q109 PolarHBondContact O-N 2.92Å; K107-F120 WeakPolarHBondContact O-CE2 3.39Å
108	F	97.3	Very high	94.2	Very high	0 Å²	0	82.1 Å²	82.1	0%	0	42%	0.418	C	S	.	.			trans	-79.4	61.9	179.3	-77.6	-99.6	0	0	0	111.2	V41 L43 N44 D45 V47 E106 F120 Y126 Y128 V145 V147	V41-F108 HydrophobicContact CG2-CB 4.29Å; V41-F108 HydrophobicContact CG2-CD1 3.77Å; V41-F108 HydrophobicContact CG2-CD2 4.27Å; V41-F108 HydrophobicContact CG2-CE1 4.19Å; V41-F108 HydrophobicContact CG2-CG 3.81Å; L43-F108 CarbonylContact C-O 3.53Å; L43-F108 WeakPolarHBondContact CA-O 3.39Å; L43-F108 VanDerWaalsContact CD2-O 3.23Å; L43-F108 WeakPolarHBondContact CD2-O 3.37Å; N44-F108 PolarHBondContact N-O 2.95Å; D45-F108 PolarHBondContact O-N 2.88Å; V47-F108 HydrophobicContact CB-CE2 3.75Å; V47-F108 HydrophobicContact CG2-CD2 3.87Å; V47-F108 HydrophobicContact CG2-CE2 3.25Å; V47-F108 HydrophobicContact CG2-CZ 4Å; E106-F108 HydrophobicContact CB-CE2 4.11Å; E106-F108 HydrophobicContact CG-CD2 4.3Å; E106-F108 HydrophobicContact CG-CE2 3.81Å; E106-F108 HydrophobicContact CG-CZ 4.27Å; F108-F120 HydrophobicContact CB-CB 4.38Å; F108-F120 HydrophobicContact CB-CD2 4.47Å; F108-F120 HydrophobicContact CB-CG 4.32Å; F108-F120 HydrophobicContact CD1-CB 4.1Å; F108-F120 AromaticContact CD1-CD1 3.36Å; F108-F120 HydrophobicContact CD1-CD1 3.36Å; F108-F120 HydrophobicContact CD1-CD2 4.32Å; F108-F120 AromaticContact CD1-CE1 3.77Å; F108-F120 HydrophobicContact CD1-CE1 3.77Å; F108-F120 AromaticContact CD1-CG 3.66Å; F108-F120 HydrophobicContact CD1-CG 3.66Å; F108-F120 HydrophobicContact CD1-CZ 4.39Å; F108-F120 AromaticContact CE1-CD1 3.47Å; F108-F120 HydrophobicContact CE1-CD1 3.47Å; F108-F120 VanDerWaalsContact CE1-CD1 3.47Å; F108-F120 AromaticContact CE1-CE1 3.47Å; F108-F120 HydrophobicContact CE1-CE1 3.47Å; F108-F120 VanDerWaalsContact CE1-CE1 3.47Å; F108-F120 HydrophobicContact CE1-CG 4.23Å; F108-F120 HydrophobicContact CE1-CZ 4.23Å; F108-F120 HydrophobicContact CG-CD1 4.27Å; F108-F120 HydrophobicContact CG-CG 4.23Å; F108-F120 HydrophobicContact CZ-CD1 4.41Å; F108-F120 HydrophobicContact CZ-CE1 4.01Å; F108-F120 HydrophobicContact CZ-CZ 4.43Å; F108-Y126 HydrophobicContact CE1-CD2 4.32Å; F108-Y128 HydrophobicContact CZ-CE2 4.44Å; F108-V145 HydrophobicContact CD1-CG1 4.32Å; F108-V145 HydrophobicContact CE1-CB 4.04Å; F108-V145 HydrophobicContact CE1-CG1 3.44Å; F108-V145 VanDerWaalsContact CE1-CG1 3.44Å; F108-V145 HydrophobicContact CE2-CG1 4.2Å; F108-V145 HydrophobicContact CZ-CB 3.91Å; F108-V145 HydrophobicContact CZ-CG1 3.39Å; F108-V145 HydrophobicContact CZ-CG2 4.18Å; F108-V147 HydrophobicContact CD1-CG2 3.64Å; F108-V147 HydrophobicContact CE1-CG2 4.24Å
109	Q	95.8	Very high	94.4	Very high	43 Å²	43	76.7 Å²	76.7	20%	0.201	40%	0.396	C	S	.	.			trans	-94.1	148.6	-177	64.5	-174.9	4.4	0	0	112.2	K107 F111 T112 F120	K107-Q109 HydrophobicContact CD-CB 4.18Å; K107-Q109 HydrophobicContact CG-CB 4.21Å; K107-Q109 PolarHBondContact O-N 2.92Å; Q109-F111 VanDerWaalsContact CD-O 3.25Å; Q109-F111 WeakPolarHBondContact CG-O 3.13Å; Q109-T112 PolarHBondContact NE2-OG1 2.75Å; Q109-F120 PolarHBondContact O-N 2.97Å
110	R	95.9	Very high	94.6	Very high	143 Å²	143	67.4 Å²	67.4	54%	0.54	35%	0.353	S	S	.	.	S	Bend	trans	-70	-34.6	-179.6	-171.3	174.6	-176	146.4	0.6	113.5	L43 E119 F120	L43-R110 HydrophobicContact CD1-CB 4.27Å; R110-E119 WeakPolarHBondContact O-CB 3.37Å; R110-F120 WeakPolarHBondContact CA-O 3.38Å
111	F	95.4	Very high	94.8	Very high	143 Å²	143	72.3 Å²	72.3	63%	0.627	37%	0.368	S	S	*	.			trans	-133.8	140.2	-177.4	-55.8	-62.2	0	0	0	108.8	Q109	Q109-F111 VanDerWaalsContact CD-O 3.25Å; Q109-F111 WeakPolarHBondContact CG-O 3.13Å
112	T	94.9	Very high	94.8	Very high	29 Å²	29	72.6 Å²	72.6	18%	0.178	36%	0.364	C	S	.	.			trans	-124.6	132.9	177.9	-179.9	0	0	0	0	109.8	Q109 F114 E119	Q109-T112 PolarHBondContact NE2-OG1 2.75Å; T112-F114 WeakPolarHBondContact CG2-O 3.47Å; T112-F114 PolarHBondContact O-N 2.7Å; T112-F114 PolarHBondContact OG1-N 3.41Å; T112-E119 HydrophobicContact CG2-CG 3.69Å
113	P	92.9	Very high	94.7	Very high	132 Å²	132	73.9 Å²	73.9	86%	0.857	39%	0.385	S	S	*	.	S	Bend	trans	-73.9	-7.9	176.2	32.1	-35.8	0	0	0	112.5
114	F	90.4	Very high	94.8	Very high	122 Å²	122	73.9 Å²	73.9	54%	0.535	39%	0.386	S	S	.	.	S	Bend	trans	-93.6	125.5	-179.7	-176	-126.6	0	0	0	110.6	T112 L116 G117	T112-F114 WeakPolarHBondContact CG2-O 3.47Å; T112-F114 PolarHBondContact O-N 2.7Å; T112-F114 PolarHBondContact OG1-N 3.41Å; F114-L116 VanDerWaalsContact C-N 3.26Å; F114-L116 HydrophobicContact CD1-CB 4.11Å; F114-L116 HydrophobicContact CE1-CB 3.5Å; F114-L116 HydrophobicContact CE1-CG 4.48Å; F114-L116 HydrophobicContact CZ-CB 3.82Å; F114-L116 HydrophobicContact CZ-CD1 4.15Å; F114-L116 HydrophobicContact CZ-CG 4.33Å; F114-L116 PolarHBondContact O-N 3.38Å; F114-G117 WeakPolarHBondContact O-CA 3.47Å; F114-G117 PolarHBondContact O-N 3.1Å
115	T	87	Confident	94.8	Very high	137 Å²	137	75.1 Å²	75.1	84%	0.84	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.4	-175.2	51	0	0	0	0	114
116	L	85.3	Confident	94.9	Very high	147 Å²	147	73.6 Å²	73.6	77%	0.77	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	9.4	174.5	-56.7	170.6	0	0	0	112.4	F114	F114-L116 VanDerWaalsContact C-N 3.26Å; F114-L116 HydrophobicContact CD1-CB 4.11Å; F114-L116 HydrophobicContact CE1-CB 3.5Å; F114-L116 HydrophobicContact CE1-CG 4.48Å; F114-L116 HydrophobicContact CZ-CB 3.82Å; F114-L116 HydrophobicContact CZ-CD1 4.15Å; F114-L116 HydrophobicContact CZ-CG 4.33Å; F114-L116 PolarHBondContact O-N 3.38Å
117	G	88.8	Confident	94.9	Very high	27 Å²	27	73.6 Å²	73.6	28%	0.278	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-74.7	154.8	177.7	0	0	0	0	0	111.3	F114	F114-G117 WeakPolarHBondContact O-CA 3.47Å; F114-G117 PolarHBondContact O-N 3.1Å
118	K	94.4	Very high	95	Very high	69 Å²	69	70.6 Å²	70.6	30%	0.3	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-89.1	135	172.2	-169.8	71.1	175.6	-171	0	110.6	L71 F120	L71-K118 HydrophobicContact CD2-CB 4.07Å; L71-K118 HydrophobicContact CD2-CD 3.65Å; L71-K118 HydrophobicContact CD2-CG 3.62Å; K118-F120 HydrophobicContact CB-CE2 3.83Å; K118-F120 HydrophobicContact CB-CZ 3.77Å; K118-F120 HydrophobicContact CG-CD1 4.39Å; K118-F120 HydrophobicContact CG-CD2 4.43Å; K118-F120 HydrophobicContact CG-CE1 3.83Å; K118-F120 HydrophobicContact CG-CE2 3.89Å; K118-F120 HydrophobicContact CG-CZ 3.55Å
119	E	96.9	Very high	95	Very high	90 Å²	90	70.6 Å²	70.6	42%	0.421	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-99.9	137.8	168.2	-64.7	-172	155.8	0	0	110.6	R110 T112	R110-E119 WeakPolarHBondContact O-CB 3.37Å; T112-E119 HydrophobicContact CG2-CG 3.69Å
120	F	97.7	Very high	95.1	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.358	C	S	.	.			trans	-115.1	142.1	-176	-60	-87.9	0	0	0	111.6	L43 E106 K107 F108 Q109 R110 K118 Y126 V147	L43-F120 HydrophobicContact CD2-CB 4.29Å; E106-F120 HydrophobicContact CG-CE2 3.93Å; E106-F120 HydrophobicContact CG-CZ 3.58Å; K107-F120 WeakPolarHBondContact O-CE2 3.39Å; F108-F120 HydrophobicContact CB-CB 4.38Å; F108-F120 HydrophobicContact CB-CD2 4.47Å; F108-F120 HydrophobicContact CB-CG 4.32Å; F108-F120 HydrophobicContact CD1-CB 4.1Å; F108-F120 AromaticContact CD1-CD1 3.36Å; F108-F120 HydrophobicContact CD1-CD1 3.36Å; F108-F120 HydrophobicContact CD1-CD2 4.32Å; F108-F120 AromaticContact CD1-CE1 3.77Å; F108-F120 HydrophobicContact CD1-CE1 3.77Å; F108-F120 AromaticContact CD1-CG 3.66Å; F108-F120 HydrophobicContact CD1-CG 3.66Å; F108-F120 HydrophobicContact CD1-CZ 4.39Å; F108-F120 AromaticContact CE1-CD1 3.47Å; F108-F120 HydrophobicContact CE1-CD1 3.47Å; F108-F120 VanDerWaalsContact CE1-CD1 3.47Å; F108-F120 AromaticContact CE1-CE1 3.47Å; F108-F120 HydrophobicContact CE1-CE1 3.47Å; F108-F120 VanDerWaalsContact CE1-CE1 3.47Å; F108-F120 HydrophobicContact CE1-CG 4.23Å; F108-F120 HydrophobicContact CE1-CZ 4.23Å; F108-F120 HydrophobicContact CG-CD1 4.27Å; F108-F120 HydrophobicContact CG-CG 4.23Å; F108-F120 HydrophobicContact CZ-CD1 4.41Å; F108-F120 HydrophobicContact CZ-CE1 4.01Å; F108-F120 HydrophobicContact CZ-CZ 4.43Å; Q109-F120 PolarHBondContact O-N 2.97Å; R110-F120 WeakPolarHBondContact CA-O 3.38Å; K118-F120 HydrophobicContact CB-CE2 3.83Å; K118-F120 HydrophobicContact CB-CZ 3.77Å; K118-F120 HydrophobicContact CG-CD1 4.39Å; K118-F120 HydrophobicContact CG-CD2 4.43Å; K118-F120 HydrophobicContact CG-CE1 3.83Å; K118-F120 HydrophobicContact CG-CE2 3.89Å; K118-F120 HydrophobicContact CG-CZ 3.55Å; F120-Y126 WeakPolarHBondContact CA-OH 3.27Å; F120-Y126 HydrophobicContact CB-CE2 4.25Å; F120-Y126 AromaticContact CD1-CD1 3.75Å; F120-Y126 HydrophobicContact CD1-CD1 3.75Å; F120-Y126 AromaticContact CD1-CD2 3.69Å; F120-Y126 HydrophobicContact CD1-CD2 3.69Å; F120-Y126 AromaticContact CD1-CE1 3.71Å; F120-Y126 HydrophobicContact CD1-CE1 3.71Å; F120-Y126 AromaticContact CD1-CE2 3.67Å; F120-Y126 HydrophobicContact CD1-CE2 3.67Å; F120-Y126 AromaticContact CD1-CG 3.74Å; F120-Y126 HydrophobicContact CD1-CG 3.74Å; F120-Y126 AromaticContact CD1-CZ 3.68Å; F120-Y126 AromaticContact CE1-CD1 3.84Å; F120-Y126 HydrophobicContact CE1-CD1 3.84Å; F120-Y126 HydrophobicContact CE1-CD2 4.26Å; F120-Y126 HydrophobicContact CE1-CE1 4.19Å; F120-Y126 AromaticContact CE1-CG 3.89Å; F120-Y126 HydrophobicContact CE1-CG 3.89Å; F120-Y126 HydrophobicContact CG-CE2 4.44Å; F120-V147 HydrophobicContact CB-CG2 4.49Å
121	K	97.1	Very high	95.1	Very high	124 Å²	124	64.5 Å²	64.5	54%	0.539	34%	0.344	S	S	.	.			trans	-121.4	138.5	-175.8	-64.5	-178.2	-176.9	177.6	0	109.9	H124 Y126 V147	K121-H124 HydrophobicContact CB-CB 4.28Å; K121-H124 WeakPolarHBondContact CB-ND1 3.28Å; K121-H124 WeakPolarHBondContact O-CB 3.36Å; K121-H124 PolarHBondContact O-N 3.39Å; K121-Y126 PolarHBondContact N-OH 2.88Å; K121-V147 WeakPolarHBondContact O-CB 3.27Å
122	E	96.8	Very high	95	Very high	66 Å²	66	58.8 Å²	58.8	31%	0.308	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	143.9	170.3	-71.6	178.2	170.3	0	0	110.7	L43 H124 V147 K150	L43-E122 HydrophobicContact CD1-CG 3.52Å; L43-E122 HydrophobicContact CG-CG 3.66Å; E122-H124 PolarHBondContact O-N 3.32Å; E122-H124 PolarHBondContact O-ND1 3.14Å; E122-V147 HydrophobicContact CG-CG1 4.4Å; E122-K150 WeakPolarHBondContact OE1-CE 3.47Å
123	G	96.5	Very high	94.8	Very high	53 Å²	53	60.1 Å²	60.1	55%	0.546	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	-0.2	-178.8	0	0	0	0	0	115.1	V147	G123-V147 VanDerWaalsContact CA-O 3.31Å; G123-V147 WeakPolarHBondContact CA-O 3.24Å; G123-V147 PolarHBondContact N-O 3.25Å
124	H	97.8	Very high	94.4	Very high	91 Å²	91	60.6 Å²	60.6	42%	0.421	32%	0.317	S	S	.	.			trans	-99.7	152	-179.8	-66.6	60.7	0	0	0	111.8	K121 E122 Y126 V147	K121-H124 HydrophobicContact CB-CB 4.28Å; K121-H124 WeakPolarHBondContact CB-ND1 3.28Å; K121-H124 WeakPolarHBondContact O-CB 3.36Å; K121-H124 PolarHBondContact O-N 3.39Å; E122-H124 PolarHBondContact O-N 3.32Å; E122-H124 PolarHBondContact O-ND1 3.14Å; H124-Y126 HydrophobicContact CB-CE2 3.74Å; H124-V147 PolarHBondContact O-N 3.14Å
125	S	98.4	Very high	93.6	Very high	30 Å²	30	59.4 Å²	59.4	21%	0.21	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.1	171.9	-59.4	0	0	0	0	110.6	Y127 K144 V145 T146	S125-Y127 WeakPolarHBondContact CB-OH 3.42Å; S125-Y127 WeakPolarHBondContact O-CE2 3.4Å; S125-K144 VanDerWaalsContact CB-CE 3.48Å; S125-K144 WeakPolarHBondContact OG-CE 3.13Å; S125-V145 CarbonylContact C-O 3.56Å; S125-V145 VanDerWaalsContact CA-O 3.32Å; S125-V145 WeakPolarHBondContact CA-O 3.22Å; S125-T146 PolarHBondContact OG-OG1 2.8Å
126	Y	98.5	Very high	93	Very high	23 Å²	23	62.2 Å²	62.2	9%	0.09	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.5	-179.5	-63.1	-89.3	0	0	0	109.1	F108 F120 K121 H124 V145 V147	F108-Y126 HydrophobicContact CE1-CD2 4.32Å; F120-Y126 WeakPolarHBondContact CA-OH 3.27Å; F120-Y126 HydrophobicContact CB-CE2 4.25Å; F120-Y126 AromaticContact CD1-CD1 3.75Å; F120-Y126 HydrophobicContact CD1-CD1 3.75Å; F120-Y126 AromaticContact CD1-CD2 3.69Å; F120-Y126 HydrophobicContact CD1-CD2 3.69Å; F120-Y126 AromaticContact CD1-CE1 3.71Å; F120-Y126 HydrophobicContact CD1-CE1 3.71Å; F120-Y126 AromaticContact CD1-CE2 3.67Å; F120-Y126 HydrophobicContact CD1-CE2 3.67Å; F120-Y126 AromaticContact CD1-CG 3.74Å; F120-Y126 HydrophobicContact CD1-CG 3.74Å; F120-Y126 AromaticContact CD1-CZ 3.68Å; F120-Y126 AromaticContact CE1-CD1 3.84Å; F120-Y126 HydrophobicContact CE1-CD1 3.84Å; F120-Y126 HydrophobicContact CE1-CD2 4.26Å; F120-Y126 HydrophobicContact CE1-CE1 4.19Å; F120-Y126 AromaticContact CE1-CG 3.89Å; F120-Y126 HydrophobicContact CE1-CG 3.89Å; F120-Y126 HydrophobicContact CG-CE2 4.44Å; K121-Y126 PolarHBondContact N-OH 2.88Å; H124-Y126 HydrophobicContact CB-CE2 3.74Å; Y126-V145 PolarHBondContact N-O 3.02Å; Y126-V145 PolarHBondContact O-N 2.04Å; Y126-V147 HydrophobicContact CD2-CG2 4Å; Y126-V147 HydrophobicContact CE2-CG2 3.78Å
127	Y	98.5	Very high	92.5	Very high	12 Å²	12	57.6 Å²	57.6	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.2	-167.1	-53.3	-84.3	0	0	0	111.3	L71 V72 R74 Y77 S125 K144	L71-Y127 WeakPolarHBondContact CD1-O 3.43Å; V72-Y127 PolarHBondContact N-O 3.24Å; R74-Y127 HydrophobicContact CB-CD2 4.32Å; R74-Y127 HydrophobicContact CB-CE2 3.76Å; R74-Y127 HydrophobicContact CG-CE2 4.34Å; R74-Y127 PolarHBondContact NE-OH 3.29Å; R74-Y127 PolarHBondContact NH2-OH 3.35Å; R74-Y127 VanDerWaalsContact NH2-OH 3.16Å; Y77-Y127 AromaticContact CD1-CD1 3.74Å; Y77-Y127 HydrophobicContact CD1-CD1 3.74Å; Y77-Y127 HydrophobicContact CD1-CE1 4.24Å; Y77-Y127 AromaticContact CD2-CD1 3.76Å; Y77-Y127 HydrophobicContact CD2-CD1 3.76Å; Y77-Y127 HydrophobicContact CD2-CG 4.13Å; Y77-Y127 HydrophobicContact CE1-CD1 4.13Å; Y77-Y127 HydrophobicContact CE2-CD1 4.1Å; Y77-Y127 AromaticContact CG-CD1 3.55Å; Y77-Y127 HydrophobicContact CG-CD1 3.55Å; Y77-Y127 HydrophobicContact CG-CE1 4.46Å; Y77-Y127 AromaticContact CG-CG 3.93Å; Y77-Y127 HydrophobicContact CG-CG 3.93Å; S125-Y127 WeakPolarHBondContact CB-OH 3.42Å; S125-Y127 WeakPolarHBondContact O-CE2 3.4Å; Y127-K144 HydrophobicContact CD1-CB 4.26Å; Y127-K144 HydrophobicContact CD1-CG 4.08Å; Y127-K144 HydrophobicContact CE1-CB 4.38Å; Y127-K144 HydrophobicContact CE1-CD 3.99Å; Y127-K144 HydrophobicContact CE1-CG 3.78Å
128	Y	98.5	Very high	91.7	Very high	1 Å²	1	64 Å²	64	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.8	174.9	-64.2	-99.2	0	0	0	108.8	I49 Y70 L71 R89 E106 F108 R142 L143 V145	I49-Y128 HydrophobicContact CD1-CD1 4.11Å; I49-Y128 HydrophobicContact CD1-CE1 4.38Å; I49-Y128 HydrophobicContact CD1-CG 4.43Å; Y70-Y128 VanDerWaalsContact O-CA 3.31Å; Y70-Y128 WeakPolarHBondContact O-CA 3.32Å; L71-Y128 HydrophobicContact CB-CE1 4.39Å; L71-Y128 HydrophobicContact CD1-CD1 4.45Å; L71-Y128 HydrophobicContact CD1-CD2 4.38Å; L71-Y128 HydrophobicContact CD1-CE1 4.13Å; L71-Y128 HydrophobicContact CD1-CE2 4.03Å; R89-Y128 HydrophobicContact CG-CE1 4.22Å; E106-Y128 WeakPolarHBondContact CG-OH 3.41Å; E106-Y128 PolarHBondContact OE2-OH 3.35Å; F108-Y128 HydrophobicContact CZ-CE2 4.44Å; Y128-R142 CarbonylContact O-C 3.6Å; Y128-R142 VanDerWaalsContact O-CA 3.25Å; Y128-R142 WeakPolarHBondContact O-CA 3.49Å; Y128-L143 PolarHBondContact N-O 3.43Å; Y128-L143 PolarHBondContact O-N 2.74Å; Y128-V145 HydrophobicContact CD2-CG2 4Å; Y128-V145 HydrophobicContact CE2-CG2 3.88Å
129	I	97.8	Very high	91.1	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	161.1	170.6	64.1	172.7	0	0	0	109.7	Y70 V72 Y77 P82 L141 R142	Y70-I129 HydrophobicContact CD2-CG1 4.44Å; Y70-I129 PolarHBondContact N-O 3.21Å; Y70-I129 PolarHBondContact O-N 3.36Å; Y70-I129 VanDerWaalsContact O-N 3.14Å; V72-I129 HydrophobicContact CG1-CD1 3.91Å; V72-I129 HydrophobicContact CG1-CG1 3.94Å; V72-I129 HydrophobicContact CG2-CD1 4.07Å; V72-I129 HydrophobicContact CG2-CG1 3.96Å; V72-I129 HydrophobicContact CG2-CG2 4.05Å; Y77-I129 HydrophobicContact CD2-CG2 3.87Å; Y77-I129 HydrophobicContact CG-CG2 4.5Å; P82-I129 HydrophobicContact CB-CD1 4.4Å; I129-L141 CarbonylContact C-O 3.54Å; I129-L141 WeakPolarHBondContact CA-O 3.48Å; I129-R142 HydrophobicContact CG2-CB 3.88Å
130	S	97	Very high	90.9	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.4	172.1	65.2	0	0	0	0	114.1	W25 I68 C140 L141	W25-S130 PolarHBondContact NE1-OG 3.01Å; I68-S130 CarbonylContact O-C 3.57Å; I68-S130 WeakPolarHBondContact O-CA 3.43Å; S130-C140 WeakPolarHBondContact O-CB 3.46Å; S130-L141 PolarHBondContact N-O 2.76Å; S130-L141 WeakPolarHBondContact OG-CB 3.32Å
131	K	95.5	Very high	90.9	Very high	57 Å²	57	64.1 Å²	64.1	25%	0.248	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.9	166.4	-68.1	-64.6	-174.8	-179.2	0	111.3	Y67 I68 Y70 C80	Y67-K131 WeakPolarHBondContact CA-O 3.43Å; I68-K131 PolarHBondContact N-O 2.87Å; I68-K131 PolarHBondContact O-N 2.9Å; Y70-K131 HydrophobicContact CE2-CB 4.11Å; Y70-K131 HydrophobicContact CE2-CG 4.12Å; C80-K131 WeakPolarHBondContact O-CE 3.39Å; C80-K131 PolarHBondContact O-NZ 3.44Å
132	P	94.2	Very high	90.9	Very high	23 Å²	23	60 Å²	60	15%	0.149	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	144.4	172.6	23.4	-33.4	0	0	0	111.7	R66 Y67 Q135 E137	R66-P132 WeakPolarHBondContact O-CA 3.05Å; Y67-P132 HydrophobicContact CD1-CB 4.33Å; Y67-P132 HydrophobicContact CE1-CB 4.16Å; P132-Q135 HydrophobicContact CB-CB 4.18Å; P132-Q135 WeakPolarHBondContact CB-O 3.02Å; P132-Q135 WeakPolarHBondContact CG-O 3.34Å; P132-E137 HydrophobicContact CG-CB 4.02Å
133	I	91.2	Very high	91	Very high	58 Å²	58	56.9 Å²	56.9	30%	0.297	28%	0.283	S	S	.	.	S	Bend	trans	-80.1	-37.6	-178.7	-62.7	-177.7	0	0	0	112.3	R66 I68 N93	R66-I133 HydrophobicContact CB-CB 4.19Å; R66-I133 HydrophobicContact CB-CD1 4.04Å; R66-I133 HydrophobicContact CB-CG1 4.22Å; R66-I133 PolarHBondContact O-N 2.82Å; I68-I133 HydrophobicContact CD1-CG1 4.37Å; I68-I133 HydrophobicContact CG1-CD1 4.09Å; I68-I133 HydrophobicContact CG1-CG1 3.75Å; N93-I133 HydrophobicContact CB-CD1 4.08Å
134	H	83.4	Confident	91.1	Very high	141 Å²	141	57.1 Å²	57.1	65%	0.653	27%	0.269	S	S	*	.	S	Bend	trans	-119.2	-10.1	-171.7	-62.3	-55	0	0	0	114.6
135	Q	75.3	Confident	91.1	Very high	97 Å²	97	52.8 Å²	52.8	45%	0.453	25%	0.249	S	C	.	.			trans	-113.8	140.8	-177.7	-65.3	176.5	-4.8	0	0	108.7	A62 P132	A62-Q135 PolarHBondContact O-NE2 2.99Å; P132-Q135 HydrophobicContact CB-CB 4.18Å; P132-Q135 WeakPolarHBondContact CB-O 3.02Å; P132-Q135 WeakPolarHBondContact CG-O 3.34Å
136	Q	73.1	Confident	91.1	Very high	196 Å²	196	52.3 Å²	52.3	92%	0.916	25%	0.245	S	C	*	.			trans	-91.5	102.8	169.1	-168.5	118.8	-9.4	0	0	106.9
137	E	75.4	Confident	91.1	Very high	51 Å²	51	51.2 Å²	51.2	24%	0.238	24%	0.241	C	C	.	.			trans	-117	133.2	178.5	-165.4	172.9	-163.8	0	0	109.5	P132 R139	P132-E137 HydrophobicContact CG-CB 4.02Å; E137-R139 HydrophobicContact CG-CG 3.81Å; E137-R139 WeakPolarHBondContact OE1-CG 3.47Å; E137-R139 IonicContact OE1-CZ 2.74Å; E137-R139 IonicContact OE1-NE 3.77Å; E137-R139 PolarHBondContact OE1-NE 2.85Å; E137-R139 IonicContact OE1-NH2 3.76Å; E137-R139 PolarHBondContact OE1-NH2 2.58Å
138	D	71.8	Confident	91	Very high	161 Å²	161	53.2 Å²	53.2	86%	0.861	25%	0.252	S	S	*	.	S	Bend	trans	-75.9	-28.2	-177.3	-69.1	-27.3	0	0	0	112.4
139	R	82.7	Confident	90.5	Very high	136 Å²	136	55 Å²	55	51%	0.513	27%	0.271	S	S	.	.	S	Bend	trans	-92.3	141	176.4	62.5	176.8	-179.4	135.6	11.8	111.2	E137	E137-R139 HydrophobicContact CG-CG 3.81Å; E137-R139 WeakPolarHBondContact OE1-CG 3.47Å; E137-R139 IonicContact OE1-CZ 2.74Å; E137-R139 IonicContact OE1-NE 3.77Å; E137-R139 PolarHBondContact OE1-NE 2.85Å; E137-R139 IonicContact OE1-NH2 3.76Å; E137-R139 PolarHBondContact OE1-NH2 2.58Å
140	C	92.3	Very high	89.7	Confident	9 Å²	9	62.5 Å²	62.5	6%	0.061	30%	0.304	C	S	.	.			trans	-112.1	142	175	91	0	0	0	0	111.3	C80 S130	C80-C140 VanDerWaalsContact CA-SG 3.52Å; C80-C140 HydrophobicContact CB-CB 3.64Å; C80-C140 WeakPolarHBondContact CB-SG 3.49Å; C80-C140 WeakPolarHBondContact SG-CB 3.44Å; C80-C140 CovalentContact SG-SG 2.03Å; C80-C140 PolarHBondContact SG-SG 3.17Å; S130-C140 WeakPolarHBondContact O-CB 3.46Å
141	L	96.3	Very high	87.9	Confident	16 Å²	16	69.5 Å²	69.5	8%	0.084	34%	0.34	C	S	.	.			trans	-70.5	134.5	164.5	-52.8	177.4	0	0	0	107.9	W25 F32 Y67 I129 S130	W25-L141 HydrophobicContact CZ2-CB 3.92Å; W25-L141 WeakPolarHBondContact CZ2-O 3.35Å; F32-L141 HydrophobicContact CB-CD2 3.79Å; F32-L141 HydrophobicContact CD1-CB 4.01Å; F32-L141 HydrophobicContact CD1-CD2 4.34Å; F32-L141 HydrophobicContact CD2-CD2 4.41Å; F32-L141 HydrophobicContact CE1-CB 4.15Å; F32-L141 HydrophobicContact CG-CB 4.38Å; F32-L141 HydrophobicContact CG-CD2 3.95Å; Y67-L141 HydrophobicContact CE2-CD1 3.98Å; I129-L141 CarbonylContact C-O 3.54Å; I129-L141 WeakPolarHBondContact CA-O 3.48Å; S130-L141 PolarHBondContact N-O 2.76Å; S130-L141 WeakPolarHBondContact OG-CB 3.32Å
142	R	97.4	Very high	85.6	Confident	39 Å²	39	72.4 Å²	72.4	15%	0.147	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.4	-177.2	72.4	-179.6	-173.9	-153.2	-15.4	112.1	F32 E35 Y77 Y128 I129	F32-R142 WeakPolarHBondContact CD1-O 3.32Å; F32-R142 WeakPolarHBondContact CE1-O 3.49Å; E35-R142 PolarHBondContact O-NE 2.84Å; E35-R142 PolarHBondContact O-NH2 3.02Å; E35-R142 IonicContact OE2-CZ 2.82Å; E35-R142 IonicContact OE2-NH1 2.92Å; E35-R142 IonicContact OE2-NH2 3.16Å; E35-R142 PolarHBondContact OE2-NH2 3.24Å; Y77-R142 HydrophobicContact CD2-CB 3.88Å; Y77-R142 HydrophobicContact CD2-CG 4.28Å; Y77-R142 HydrophobicContact CE2-CB 3.45Å; Y77-R142 VanDerWaalsContact CE2-CB 3.45Å; Y77-R142 HydrophobicContact CE2-CG 3.54Å; Y77-R142 VanDerWaalsContact CZ-CD 3.47Å; Y77-R142 PolarHBondContact O-NH1 2.92Å; Y128-R142 CarbonylContact O-C 3.6Å; Y128-R142 VanDerWaalsContact O-CA 3.25Å; Y128-R142 WeakPolarHBondContact O-CA 3.49Å; I129-R142 HydrophobicContact CG2-CB 3.88Å
143	L	98.6	Very high	83	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.3	-179.2	171.6	72	0	0	0	109.3	V23 W25 F32 Y37 I39 Y128 V145	V23-L143 HydrophobicContact CG1-CD2 4.3Å; V23-L143 HydrophobicContact CG2-CD2 4.06Å; W25-L143 HydrophobicContact CH2-CB 3.87Å; W25-L143 HydrophobicContact CZ3-CB 3.57Å; W25-L143 HydrophobicContact CZ3-CD2 4.1Å; W25-L143 HydrophobicContact CZ3-CG 4.49Å; F32-L143 HydrophobicContact CE1-CB 4.47Å; Y37-L143 HydrophobicContact CD1-CD1 4.3Å; Y37-L143 HydrophobicContact CD2-CD1 3.97Å; Y37-L143 HydrophobicContact CE2-CD1 4.21Å; Y37-L143 HydrophobicContact CG-CD1 3.98Å; Y37-L143 WeakPolarHBondContact O-CA 2.98Å; I39-L143 HydrophobicContact CD1-CD2 4.41Å; I39-L143 HydrophobicContact CG1-CD1 4.25Å; I39-L143 HydrophobicContact CG2-CD1 4.27Å; Y128-L143 PolarHBondContact N-O 3.43Å; Y128-L143 PolarHBondContact O-N 2.74Å; L143-V145 HydrophobicContact CD2-CG2 3.8Å; L143-V145 HydrophobicContact CG-CG2 3.95Å
144	K	98.6	Very high	80.5	Confident	57 Å²	57	82.2 Å²	82.2	25%	0.248	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.1	167.4	179.7	-175.4	175.8	-169.7	0	109.5	Y37 T38 I39 S125 Y127 T146	Y37-K144 PolarHBondContact O-N 2.88Å; T38-K144 CarbonylContact C-O 3.6Å; T38-K144 WeakPolarHBondContact CA-O 3.5Å; T38-K144 HydrophobicContact CG2-CB 4.2Å; T38-K144 HydrophobicContact CG2-CD 4.09Å; T38-K144 HydrophobicContact CG2-CG 4.14Å; I39-K144 PolarHBondContact N-O 3.45Å; S125-K144 VanDerWaalsContact CB-CE 3.48Å; S125-K144 WeakPolarHBondContact OG-CE 3.13Å; Y127-K144 HydrophobicContact CD1-CB 4.26Å; Y127-K144 HydrophobicContact CD1-CG 4.08Å; Y127-K144 HydrophobicContact CE1-CB 4.38Å; Y127-K144 HydrophobicContact CE1-CD 3.99Å; Y127-K144 HydrophobicContact CE1-CG 3.78Å; K144-T146 WeakPolarHBondContact CE-OG1 3.43Å
145	V	98.6	Very high	78.5	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.5	173.3	-173.9	0	0	0	0	108.9	I39 V41 V47 F108 S125 Y126 Y128 L143	I39-V145 HydrophobicContact CD1-CG1 4.29Å; I39-V145 HydrophobicContact CD1-CG2 3.96Å; I39-V145 HydrophobicContact CG1-CB 4.21Å; I39-V145 HydrophobicContact CG1-CG1 3.95Å; I39-V145 HydrophobicContact CG1-CG2 3.81Å; I39-V145 WeakPolarHBondContact O-CA 3.45Å; V41-V145 HydrophobicContact CB-CG1 4.46Å; V41-V145 HydrophobicContact CG1-CG1 3.83Å; V41-V145 HydrophobicContact CG2-CG1 3.72Å; V47-V145 HydrophobicContact CG2-CG1 4.47Å; F108-V145 HydrophobicContact CD1-CG1 4.32Å; F108-V145 HydrophobicContact CE1-CB 4.04Å; F108-V145 HydrophobicContact CE1-CG1 3.44Å; F108-V145 VanDerWaalsContact CE1-CG1 3.44Å; F108-V145 HydrophobicContact CE2-CG1 4.2Å; F108-V145 HydrophobicContact CZ-CB 3.91Å; F108-V145 HydrophobicContact CZ-CG1 3.39Å; F108-V145 HydrophobicContact CZ-CG2 4.18Å; S125-V145 CarbonylContact C-O 3.56Å; S125-V145 VanDerWaalsContact CA-O 3.32Å; S125-V145 WeakPolarHBondContact CA-O 3.22Å; Y126-V145 PolarHBondContact N-O 3.02Å; Y126-V145 PolarHBondContact O-N 2.04Å; Y128-V145 HydrophobicContact CD2-CG2 4Å; Y128-V145 HydrophobicContact CE2-CG2 3.88Å; L143-V145 HydrophobicContact CD2-CG2 3.8Å; L143-V145 HydrophobicContact CG-CG2 3.95Å
146	T	98.4	Very high	77	Confident	21 Å²	21	84.9 Å²	84.9	13%	0.129	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.1	177.9	-55.6	0	0	0	0	109.4	I39 H40 V41 S125 K144	I39-T146 PolarHBondContact O-N 2.95Å; H40-T146 WeakPolarHBondContact CA-O 3.43Å; V41-T146 PolarHBondContact N-O 3.03Å; S125-T146 PolarHBondContact OG-OG1 2.8Å; K144-T146 WeakPolarHBondContact CE-OG1 3.43Å
147	V	98	Very high	75.2	Confident	0 Å²	0	80 Å²	80	0%	0	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.5	171.7	-172.2	0	0	0	0	107.3	V41 L43 F108 F120 K121 E122 G123 H124 Y126 G149	V41-V147 HydrophobicContact CG2-CB 4.48Å; V41-V147 HydrophobicContact CG2-CG2 4.02Å; V41-V147 CarbonylContact O-C 3.59Å; V41-V147 WeakPolarHBondContact O-CA 3.45Å; L43-V147 HydrophobicContact CD2-CG1 3.98Å; L43-V147 HydrophobicContact CG-CG1 4.08Å; F108-V147 HydrophobicContact CD1-CG2 3.64Å; F108-V147 HydrophobicContact CE1-CG2 4.24Å; F120-V147 HydrophobicContact CB-CG2 4.49Å; K121-V147 WeakPolarHBondContact O-CB 3.27Å; E122-V147 HydrophobicContact CG-CG1 4.4Å; G123-V147 VanDerWaalsContact CA-O 3.31Å; G123-V147 WeakPolarHBondContact CA-O 3.24Å; G123-V147 PolarHBondContact N-O 3.25Å; H124-V147 PolarHBondContact O-N 3.14Å; Y126-V147 HydrophobicContact CD2-CG2 4Å; Y126-V147 HydrophobicContact CE2-CG2 3.78Å; V147-G149 PolarHBondContact O-N 2.94Å
148	N	96.2	Very high	73.5	Confident	54 Å²	54	85.5 Å²	85.5	29%	0.289	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-65.1	139	-176.2	-52.5	-46	0	0	0	110.1	H40 V41 Q42	H40-N148 PolarHBondContact ND1-OD1 2.96Å; V41-N148 PolarHBondContact O-N 3.39Å; Q42-N148 PolarHBondContact OE1-ND2 3.46Å
149	G	89.6	Confident	71.9	Confident	39 Å²	39	85.6 Å²	85.6	40%	0.402	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-74.8	147.3	170.9	0	0	0	0	0	110.6	V147 I151	V147-G149 PolarHBondContact O-N 2.94Å; G149-I151 PolarHBondContact O-N 3.23Å
150	K	80.4	Confident	69.4	Low	157 Å²	157	86.2 Å²	86.2	68%	0.683	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-65.7	120.4	155.7	-64.5	-176.5	-174	-178.3	0	106.4	E122 T152	E122-K150 WeakPolarHBondContact OE1-CE 3.47Å; K150-T152 PolarHBondContact O-N 3.3Å
151	I	59.5	Low	66.8	Low	148 Å²	148	91 Å²	91	76%	0.759	50%	0.502	S	S	*	.			trans	-67.4	83	170.9	-54.1	169.1	0	0	0	106.5	G149 H153	G149-I151 PolarHBondContact O-N 3.23Å; I151-H153 PolarHBondContact O-N 3.32Å
152	T	47.5	Very low	64.1	Low	118 Å²	118	99 Å²	99	72%	0.724	54%	0.539	S	S	*	.			trans	-72.4	112.6	146.8	37.6	0	0	0	0	104.4	K150 S154	K150-T152 PolarHBondContact O-N 3.3Å; T152-S154 PolarHBondContact O-N 3.38Å
153	H	39.5	Very low	61	Low	186 Å²	186	105.5 Å²	105.5	86%	0.861	57%	0.571	S	S	*	*			trans	-56.2	90	161	-94.3	-88.3	0	0	0	107.1	I151	I151-H153 PolarHBondContact O-N 3.32Å
154	S	38.3	Very low	58.3	Low	100 Å²	100	115.2 Å²	115.2	70%	0.699	61%	0.613	S	S	*	*			trans	-103.8	120.4	158	-147.4	0	0	0	0	104.6	T152 Q156	T152-S154 PolarHBondContact O-N 3.38Å; S154-Q156 PolarHBondContact O-N 2.85Å
155	P	41.4	Very low	55.1	Low	122 Å²	122	123.5 Å²	123.5	79%	0.792	64%	0.643	S	S	*	*			trans	-57.7	137	-178.4	11	-11.3	0	0	0	109.2	A157	P155-A157 PolarHBondContact O-N 3.14Å
156	Q	43.4	Very low	52.5	Low	172 Å²	172	132 Å²	132	80%	0.804	69%	0.688	S	S	*	*			trans	-36.2	116.8	-177.1	-62.7	178.9	-71.8	0	0	112.9	S154	S154-Q156 PolarHBondContact O-N 2.85Å
157	A	34.5	Very low	49.5	Very low	93 Å²	93	135.9 Å²	135.9	77%	0.769	72%	0.722	S	S	*	*			trans	-87.6	103.4	156	0	0	0	0	0	107	P155 D159	P155-A157 PolarHBondContact O-N 3.14Å; A157-D159 PolarHBondContact O-N 2.83Å
158	H	40.3	Very low	46.6	Very low	168 Å²	168	140.3 Å²	140.3	78%	0.778	76%	0.758	S	S	*	*			trans	-60.7	118.6	158.6	-85.4	-90.6	0	0	0	108.2	N160	H158-N160 PolarHBondContact O-N 3.03Å
159	D	37.4	Very low	43.8	Very low	163 Å²	163	145.5 Å²	145.5	87%	0.872	79%	0.786	S	S	*	*			trans	-72.8	108.9	168.8	-85.3	-41.5	0	0	0	109.4	A157	A157-D159 PolarHBondContact O-N 2.83Å
160	N	31	Very low	41.6	Very low	148 Å²	148	150.7 Å²	150.7	79%	0.791	81%	0.805	S	S	*	*			trans	-101.2	124.5	159.1	-166.8	22	0	0	0	107.5	H158 Q162	H158-N160 PolarHBondContact O-N 3.03Å; N160-Q162 PolarHBondContact O-N 3.18Å; N160-Q162 VanDerWaalsContact O-N 3.15Å
161	P	37.8	Very low	39.9	Very low	111 Å²	111	147.7 Å²	147.7	72%	0.721	80%	0.801	S	S	*	*			trans	-89.6	85.1	-168.1	33.2	-32.1	0	0	0	111.6
162	Q	39.5	Very low	38.7	Very low	184 Å²	184	147.6 Å²	147.6	86%	0.86	80%	0.798	S	S	*	*			trans	-165.5	96.8	159.7	-135.8	156.7	-57.5	0	0	113.5	N160	N160-Q162 PolarHBondContact O-N 3.18Å; N160-Q162 VanDerWaalsContact O-N 3.15Å
163	E	32.8	Very low	38.4	Very low	174 Å²	174	147.9 Å²	147.9	81%	0.813	80%	0.799	S	S	*	*			trans	-160.5	103.2	134.3	-143	158.3	164.2	0	0	112.2
164	K	41.8	Very low	38.4	Very low	204 Å²	204	148.5 Å²	148.5	89%	0.887	79%	0.794	S	S	*	*			trans	-71.5	123.7	152.5	-92.2	179.7	174.7	177.6	0	107.2
165	R	31.9	Very low	38.5	Very low	231 Å²	231	148.7 Å²	148.7	87%	0.872	79%	0.791	S	S	*	*			trans	-169.6	123.6	134	-104.3	160.4	-170	169.1	2.3	110.3
166	L	43.2	Very low	38.8	Very low	179 Å²	179	150.8 Å²	150.8	94%	0.937	79%	0.794	S	S	*	*			trans	-66.6	142.3	167.9	-70.7	125.1	0	0	0	110.2
167	A	35.9	Very low	38.7	Very low	103 Å²	103	150.2 Å²	150.2	85%	0.851	79%	0.791	S	S	*	*			trans	-146.8	122.8	146.5	0	0	0	0	0	107.9
168	A	37.8	Very low	39.1	Very low	92 Å²	92	151.5 Å²	151.5	76%	0.76	80%	0.795	S	S	*	*			trans	-99.5	136.5	171.9	0	0	0	0	0	108.6
169	D	36	Very low	39.3	Very low	164 Å²	164	149.8 Å²	149.8	88%	0.877	79%	0.79	S	S	*	*				178.3	120	128.3	-110.5	-31.4	0	0	0	112.2
170	D	42.9	Very low	39.6	Very low	147 Å²	147	145 Å²	145	79%	0.786	78%	0.779	S	S	*	*			trans	61.8	168.4	142	-132.7	27.9	0	0	0	122.3
171	P	46.2	Very low	39.9	Very low	95 Å²	95	146 Å²	146	62%	0.617	78%	0.778	S	S	*	*				-126.1	147.5	-97.1	38.9	-21.7	0	0	0	113.9
172	E	34.3	Very low	40.2	Very low	145 Å²	145	146.1 Å²	146.1	68%	0.678	78%	0.782	S	S	*	*			trans	-143.8	79.2	153.5	-154	-173.1	150.4	0	0	109.1	R174	E172-R174 VanDerWaalsContact C-N 3.27Å; E172-R174 HydrophobicContact CG-CG 4.43Å; E172-R174 PolarHBondContact O-N 3.35Å; E172-R174 IonicContact OE1-CZ 3.38Å; E172-R174 IonicContact OE1-NE 2.8Å; E172-R174 PolarHBondContact OE1-NE 2.95Å; E172-R174 IonicContact OE1-NH2 3.05Å; E172-R174 PolarHBondContact OE1-NH2 2.92Å
173	V	41.6	Very low	40.6	Very low	125 Å²	125	142.2 Å²	142.2	76%	0.758	78%	0.781	S	S	*	*			trans	-70.6	90.3	164.9	-178.9	0	0	0	0	107	V175	V173-V175 HydrophobicContact CG1-CG2 3.82Å; V173-V175 PolarHBondContact O-N 3.39Å
174	R	37.7	Very low	41.2	Very low	198 Å²	198	137.4 Å²	137.4	75%	0.747	77%	0.771	S	S	*	*			trans	-69.1	92.1	159	-78.9	-174.5	-172.4	-177	3.8	107.9	E172 L176	E172-R174 VanDerWaalsContact C-N 3.27Å; E172-R174 HydrophobicContact CG-CG 4.43Å; E172-R174 PolarHBondContact O-N 3.35Å; E172-R174 IonicContact OE1-CZ 3.38Å; E172-R174 IonicContact OE1-NE 2.8Å; E172-R174 PolarHBondContact OE1-NE 2.95Å; E172-R174 IonicContact OE1-NH2 3.05Å; E172-R174 PolarHBondContact OE1-NH2 2.92Å; R174-L176 PolarHBondContact O-N 2.85Å
175	V	41.1	Very low	41.4	Very low	105 Å²	105	133.4 Å²	133.4	64%	0.636	77%	0.766	S	S	*	*			trans	-57.3	100	165.2	179.4	0	0	0	0	107.5	V173 H177	V173-V175 HydrophobicContact CG1-CG2 3.82Å; V173-V175 PolarHBondContact O-N 3.39Å; V175-H177 PolarHBondContact O-N 2.95Å
176	L	47.1	Very low	42.3	Very low	165 Å²	165	133.2 Å²	133.2	86%	0.864	77%	0.766	S	S	*	*			trans	-69.6	100.1	166.5	-109.2	148.7	0	0	0	107	R174 S178	R174-L176 PolarHBondContact O-N 2.85Å; L176-S178 PolarHBondContact O-N 3.22Å; L176-S178 VanDerWaalsContact O-N 3.13Å
177	H	42.7	Very low	42.5	Very low	160 Å²	160	132.7 Å²	132.7	74%	0.741	76%	0.763	S	S	*	*			trans	-57.4	114.9	165.7	-92.5	-105.2	0	0	0	108.5	V175 I179	V175-H177 PolarHBondContact O-N 2.95Å; H177-I179 PolarHBondContact O-N 3.05Å
178	S	42.1	Very low	43.1	Very low	121 Å²	121	135.2 Å²	135.2	85%	0.846	76%	0.755	S	S	*	*			trans	-70	99.5	170.7	-161.4	0	0	0	0	108.1	L176 G180	L176-S178 PolarHBondContact O-N 3.22Å; L176-S178 VanDerWaalsContact O-N 3.13Å; S178-G180 PolarHBondContact O-N 3.09Å; S178-G180 VanDerWaalsContact O-N 3.1Å
179	I	43.8	Very low	43.7	Very low	131 Å²	131	136.1 Å²	136.1	67%	0.672	75%	0.753	S	S	*	*			trans	-71.6	101	165.1	-64.4	170.5	0	0	0	105.7	H177 H181	H177-I179 PolarHBondContact O-N 3.05Å; I179-H181 PolarHBondContact O-N 3.04Å
180	G	43.9	Very low	44.6	Very low	62 Å²	62	133.7 Å²	133.7	64%	0.639	74%	0.739	S	S	*	*			trans	-62.6	98.7	170.6	0	0	0	0	0	109.9	S178 S182	S178-G180 PolarHBondContact O-N 3.09Å; S178-G180 VanDerWaalsContact O-N 3.1Å; G180-S182 PolarHBondContact O-N 2.65Å
181	H	37.6	Very low	45	Very low	169 Å²	169	129.6 Å²	129.6	78%	0.782	73%	0.726	S	S	*	*			trans	-83.2	91.5	159.3	-71.2	122.2	0	0	0	108	I179 A183	I179-H181 PolarHBondContact O-N 3.04Å; H181-A183 PolarHBondContact O-N 3.21Å
182	S	44.3	Very low	45	Very low	115 Å²	115	135 Å²	135	80%	0.804	73%	0.734	S	S	*	*			trans	-55.6	104.5	160.9	-59.5	0	0	0	0	108.6	G180 A184	G180-S182 PolarHBondContact O-N 2.65Å; S182-A184 PolarHBondContact O-N 3.25Å
183	A	47.5	Very low	46	Very low	102 Å²	102	131.8 Å²	131.8	84%	0.843	73%	0.725	S	S	*	*			trans	-75.3	75.7	164.3	0	0	0	0	0	108.3	H181	H181-A183 PolarHBondContact O-N 3.21Å
184	A	47	Very low	46.8	Very low	72 Å²	72	131.1 Å²	131.1	60%	0.595	72%	0.721	S	S	*	*			trans	-67.8	134.9	156.3	0	0	0	0	0	107.4	S182 R186	S182-A184 PolarHBondContact O-N 3.25Å; A184-R186 PolarHBondContact O-N 3.29Å
185	P	44.2	Very low	47.7	Very low	121 Å²	121	128.2 Å²	128.2	79%	0.786	72%	0.719	S	S	*	*			trans	-64	108.7	172.9	25.8	-29.7	0	0	0	107.4	L187	P185-L187 PolarHBondContact O-N 2.8Å
186	R	52	Low	48.4	Very low	227 Å²	227	128.1 Å²	128.1	86%	0.857	71%	0.714	S	S	*	*			trans	-68.7	104.6	168.2	-68.1	-159	177.1	-164.7	1	106.8	A184 F188	A184-R186 PolarHBondContact O-N 3.29Å; R186-F188 VanDerWaalsContact C-N 3.33Å; R186-F188 PolarHBondContact O-N 3.12Å
187	L	47.8	Very low	48.9	Very low	168 Å²	168	125.7 Å²	125.7	88%	0.88	70%	0.702	S	S	*	*			trans	-56.2	100.2	164	-85.4	144.6	0	0	0	107.5	P185	P185-L187 PolarHBondContact O-N 2.8Å
188	F	47.1	Very low	49.6	Very low	156 Å²	156	122.2 Å²	122.2	68%	0.684	69%	0.693	S	S	*	*			trans	-63.3	141.1	172.9	-98.6	-95.7	0	0	0	109.5	R186 L190	R186-F188 VanDerWaalsContact C-N 3.33Å; R186-F188 PolarHBondContact O-N 3.12Å; F188-L190 PolarHBondContact O-N 2.85Å
189	P	51.8	Low	50.3	Low	111 Å²	111	122 Å²	122	72%	0.721	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	15.4	-174.7	33	-35.4	0	0	0	113.8
190	L	54.3	Low	51	Low	112 Å²	112	121.8 Å²	121.8	59%	0.586	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-0.7	-176.8	-78.5	155.6	0	0	0	113.5	F188 W192 T193	F188-L190 PolarHBondContact O-N 2.85Å; L190-W192 PolarHBondContact O-N 3.08Å; L190-T193 PolarHBondContact O-OG1 3.41Å; L190-T193 VanDerWaalsContact O-OG1 3.12Å
191	A	50.3	Low	51.7	Low	62 Å²	62	125.5 Å²	125.5	51%	0.512	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	-14.1	176.2	0	0	0	0	0	113.6
192	W	47.6	Very low	52.5	Low	208 Å²	208	124.8 Å²	124.8	79%	0.788	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-20	179.7	-65.2	-10.9	0	0	0	113.8	L190	L190-W192 PolarHBondContact O-N 3.08Å
193	T	54.7	Low	53.2	Low	78 Å²	78	127.3 Å²	127.3	48%	0.479	69%	0.686	S	S	.	*	H	α-helix	trans	-78.6	-21.9	-179.3	52.5	0	0	0	0	113	L190	L190-T193 PolarHBondContact O-OG1 3.41Å; L190-T193 VanDerWaalsContact O-OG1 3.12Å
194	V	57.8	Low	53.2	Low	111 Å²	111	127.8 Å²	127.8	67%	0.673	68%	0.679	S	S	*	*	H	α-helix	trans	-83	-25.5	177.9	-175.2	0	0	0	0	112.4
195	L	57	Low	53.7	Low	136 Å²	136	134.2 Å²	134.2	71%	0.712	72%	0.715	S	S	*	*	H	α-helix	trans	-81.9	-17.8	179.4	-84.4	160.7	0	0	0	114.2	P198	L195-P198 WeakPolarHBondContact O-CD 3.42Å
196	L	56.3	Low	54.2	Low	103 Å²	103	134.9 Å²	134.9	54%	0.539	71%	0.711	S	S	.	*	H	α-helix	trans	-99.7	-11.2	-179.3	-74.4	165.9	0	0	0	114.2	L199	L196-L199 HydrophobicContact CD2-CD1 4.21Å; L196-L199 PolarHBondContact O-N 3.46Å
197	L	57.8	Low	54.3	Low	115 Å²	115	130.1 Å²	130.1	60%	0.602	70%	0.704	S	S	*	*	H	α-helix	trans	-60.6	-32.7	175.5	-128.6	85.1	0	0	0	114.8	L199	L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.28Å
198	P	56.8	Low	54.6	Low	86 Å²	86	127.9 Å²	127.9	56%	0.558	69%	0.694	S	S	*	*	H	α-helix	trans	-73.1	-23	178.2	-11.9	26.7	0	0	0	113.4	L195	L195-P198 WeakPolarHBondContact O-CD 3.42Å
199	L	57.4	Low	55.1	Low	116 Å²	116	126.3 Å²	126.3	61%	0.607	69%	0.694	S	S	*	*	H	α-helix	trans	-82.8	-29.4	-177.5	-85.5	152.7	0	0	0	112.7	L196 L197	L196-L199 HydrophobicContact CD2-CD1 4.21Å; L196-L199 PolarHBondContact O-N 3.46Å; L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.28Å
200	L	56.9	Low	55.3	Low	128 Å²	128	127.3 Å²	127.3	67%	0.67	69%	0.693	S	S	*	*	H	α-helix	trans	-77.6	-19.1	177.8	-84	155	0	0	0	113.6
201	L	58.7	Low	55.3	Low	139 Å²	139	128.3 Å²	128.3	73%	0.728	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-7	177.3	-74.4	167.1	0	0	0	113.8
202	L	56	Low	55.7	Low	155 Å²	155	133 Å²	133	81%	0.812	71%	0.713	S	S	*	*	S	Bend	trans	-98.6	1.2	178.6	-146.5	74.1	0	0	0	113.4
203	Q	58.6	Low	56.3	Low	167 Å²	167	127.2 Å²	127.2	78%	0.78	71%	0.708	S	S	*	*			trans	-123.2	65.2	178.2	-71.8	-176.1	-24	0	0	110.9
204	T	47.5	Very low	56.5	Low	113 Å²	113	131.3 Å²	131.3	69%	0.693	73%	0.727	S	S	*	*			trans	-131.9	127.9	155.4	51.8	0	0	0	0	107.2
205	P	56.7	Low	56.3	Low	207 Å²	207	133.2 Å²	133.2	100%	1.344	73%	0.731	S	S	*	*			trans	-66.5	0	-168.3	29.5	-36.4	0	0	0	113.9

Retrieved 205 of 205 residues in 140.2 ms (Link to these results)

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