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Proteasome subunit alpha type-1

Component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex).

AlphaFold DB , UniProt , Accession P25786, Species HUMAN (Homo sapiens, Human), Gene PSMA1, Length 263 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	53.6	Low	84.8	Confident	217 Å²	217	101.7 Å²	101.7	100%	1.069	49%	0.487	S	S	*	.				0	4	0	-139.3	172.5	-163.5	0	0	114.2
2	F	69	Low	85.8	Confident	168 Å²	168	97.1 Å²	97.1	74%	0.737	47%	0.47	S	S	*	.			trans	-92.1	-18.3	-165.7	-64.2	-74.1	0	0	0	116.9	Y6	F2-Y6 WeakPolarHBondContact O-CD2 3.07Å; F2-Y6 WeakPolarHBondContact O-CE2 3.25Å
3	R	70.5	Confident	86.6	Confident	142 Å²	142	102.1 Å²	102.1	54%	0.536	48%	0.481	S	S	.	.	S	Bend	trans	-78.8	-43.8	-167.4	-169	174.2	171.5	171.6	-6.3	114.4	Q5 Y6 Y24	R3-Q5 PolarHBondContact O-N 2.79Å; R3-Q5 VanDerWaalsContact O-N 3.08Å; R3-Y6 PolarHBondContact O-N 3.14Å; R3-Y24 PolarHBondContact NE-OH 2.58Å; R3-Y24 VanDerWaalsContact NH2-CE1 3.29Å; R3-Y24 PolarHBondContact NH2-OH 3.4Å; R3-Y24 VanDerWaalsContact NH2-OH 3.12Å
4	N	81.4	Confident	87.2	Confident	124 Å²	124	95.2 Å²	95.2	66%	0.663	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.9	-167.1	-62.2	13.4	0	0	0	115.3	D7	N4-D7 WeakPolarHBondContact CA-OD1 3.37Å
5	Q	89	Confident	87.7	Confident	147 Å²	147	94.5 Å²	94.5	69%	0.687	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-16.1	179.2	-64.9	-177.8	17.3	0	0	112.9	R3	R3-Q5 PolarHBondContact O-N 2.79Å; R3-Q5 VanDerWaalsContact O-N 3.08Å
6	Y	92.5	Very high	88.2	Confident	65 Å²	65	96.8 Å²	96.8	26%	0.255	47%	0.466	S	S	.	.	S	Bend	trans	-118.6	14.9	-172.2	-48.8	-76.4	0	0	0	113.2	F2 R3 V12 P15 H20	F2-Y6 WeakPolarHBondContact O-CD2 3.07Å; F2-Y6 WeakPolarHBondContact O-CE2 3.25Å; R3-Y6 PolarHBondContact O-N 3.14Å; Y6-V12 HydrophobicContact CD1-CG1 3.8Å; Y6-V12 HydrophobicContact CG-CG1 4.46Å; Y6-P15 HydrophobicContact CD2-CG 4.37Å; Y6-P15 HydrophobicContact CE1-CG 4.34Å; Y6-P15 HydrophobicContact CE2-CG 3.76Å; Y6-H20 PolarHBondContact O-ND1 3.25Å; Y6-H20 VanDerWaalsContact O-ND1 3.15Å
7	D	94.1	Very high	88.7	Confident	23 Å²	23	94 Å²	94	12%	0.123	47%	0.469	C	S	.	.	S	Bend	trans	-122.9	4.5	-169.6	77.3	-23.9	0	0	0	115.7	N4 H20 Q21 Y24	N4-D7 WeakPolarHBondContact CA-OD1 3.37Å; D7-H20 HydrophobicContact CB-CB 3.72Å; D7-Q21 PolarHBondContact O-NE2 3.34Å; D7-Y24 HydrophobicContact CB-CE2 3.81Å; D7-Y24 WeakPolarHBondContact CB-OH 3.43Å; D7-Y24 PolarHBondContact OD2-OH 2.75Å
8	N	94.4	Very high	89.1	Confident	116 Å²	116	95.4 Å²	95.4	62%	0.62	47%	0.468	S	S	*	.	S	Bend	trans	-90	-32.2	176.4	-64.2	-56.4	0	0	0	113.3	Q21	N8-Q21 PolarHBondContact O-NE2 3.42Å
9	D	95.3	Very high	89.5	Confident	57 Å²	57	91.6 Å²	91.6	31%	0.305	45%	0.45	S	S	.	.			trans	-118.3	139.4	-170.1	-71.4	-60.5	0	0	0	112.6	T11 V12 Y123	D9-T11 PolarHBondContact O-N 3.26Å; D9-V12 HydrophobicContact CB-CB 4.36Å; D9-V12 HydrophobicContact CB-CG2 3.79Å; D9-V12 PolarHBondContact O-N 2.86Å; D9-Y123 WeakPolarHBondContact OD1-CE2 3.41Å
10	V	96.6	Very high	89.9	Confident	6 Å²	6	87.6 Å²	87.6	4%	0.036	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.8	178.2	79.2	0	0	0	0	113.1	I19 Q21 I22 T120 R122 P127	V10-I19 HydrophobicContact CG2-CG2 4.17Å; V10-I19 WeakPolarHBondContact O-CG2 3.44Å; V10-Q21 HydrophobicContact CB-CB 4.21Å; V10-Q21 HydrophobicContact CG2-CB 4.22Å; V10-I22 HydrophobicContact CG2-CG1 4.34Å; V10-T120 WeakPolarHBondContact CG2-O 3.43Å; V10-R122 WeakPolarHBondContact CG1-O 3.4Å; V10-P127 HydrophobicContact CG2-CG 3.72Å
11	T	96.5	Very high	90.2	Very high	54 Å²	54	85.7 Å²	85.7	33%	0.331	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.2	-179.4	57.8	0	0	0	0	113.8	D9 Y123	D9-T11 PolarHBondContact O-N 3.26Å; T11-Y123 VanDerWaalsContact CG2-N 3.29Å
12	V	96.4	Very high	92.3	Very high	46 Å²	46	76.4 Å²	76.4	28%	0.279	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-98.5	117.3	-176.9	178.3	0	0	0	0	109.4	Y6 D9	Y6-V12 HydrophobicContact CD1-CG1 3.8Å; Y6-V12 HydrophobicContact CG-CG1 4.46Å; D9-V12 HydrophobicContact CB-CB 4.36Å; D9-V12 HydrophobicContact CB-CG2 3.79Å; D9-V12 PolarHBondContact O-N 2.86Å
13	W	96.6	Very high	93.7	Very high	162 Å²	162	70.6 Å²	70.6	61%	0.614	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-79.5	138.7	171.7	-70.8	91.7	0	0	0	110.6	G17 I19	W13-G17 VanDerWaalsContact CZ3-O 3.31Å; W13-G17 WeakPolarHBondContact CZ3-O 3.21Å; W13-I19 HydrophobicContact CD2-CD1 4.22Å; W13-I19 HydrophobicContact CD2-CG1 3.89Å; W13-I19 HydrophobicContact CE3-CD1 4.27Å; W13-I19 HydrophobicContact CE3-CG1 3.69Å; W13-I19 HydrophobicContact CH2-CD1 3.79Å; W13-I19 HydrophobicContact CH2-CG1 4.05Å; W13-I19 HydrophobicContact CZ2-CD1 3.71Å; W13-I19 HydrophobicContact CZ2-CG1 4.22Å; W13-I19 HydrophobicContact CZ3-CD1 4.06Å; W13-I19 HydrophobicContact CZ3-CG1 3.78Å
14	S	95.2	Very high	95	Very high	6 Å²	6	67.4 Å²	67.4	4%	0.042	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-73.4	159.3	168.2	80.1	0	0	0	0	111.1	Q16 G17 R18	S14-Q16 PolarHBondContact O-N 3.33Å; S14-Q16 PolarHBondContact OG-N 3.32Å; S14-Q16 PolarHBondContact OG-OE1 3.2Å; S14-G17 PolarHBondContact O-N 3.37Å; S14-R18 WeakPolarHBondContact CB-O 3.08Å; S14-R18 PolarHBondContact N-O 3.05Å; S14-R18 PolarHBondContact OG-N 2.95Å; S14-R18 VanDerWaalsContact OG-N 3.12Å; S14-R18 PolarHBondContact OG-O 3.08Å
15	P	95.3	Very high	95.7	Very high	85 Å²	85	62.2 Å²	62.2	55%	0.552	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.7	172.7	-25.1	34.8	0	0	0	114.3	Y6	Y6-P15 HydrophobicContact CD2-CG 4.37Å; Y6-P15 HydrophobicContact CE1-CG 4.34Å; Y6-P15 HydrophobicContact CE2-CG 3.76Å
16	Q	95.4	Very high	96.1	Very high	130 Å²	130	58.4 Å²	58.4	61%	0.607	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	6.8	176.2	-62	77.6	34.6	0	0	113.3	S14 R18	S14-Q16 PolarHBondContact O-N 3.33Å; S14-Q16 PolarHBondContact OG-N 3.32Å; S14-Q16 PolarHBondContact OG-OE1 3.2Å; Q16-R18 HydrophobicContact CB-CG 4.48Å
17	G	96	Very high	96.4	Very high	50 Å²	50	58.9 Å²	58.9	52%	0.515	30%	0.3	S	S	.	.	S	Bend	trans	71.4	31.2	-177.9	0	0	0	0	0	113.4	W13 S14	W13-G17 VanDerWaalsContact CZ3-O 3.31Å; W13-G17 WeakPolarHBondContact CZ3-O 3.21Å; S14-G17 PolarHBondContact O-N 3.37Å
18	R	96.3	Very high	96.6	Very high	120 Å²	120	59.2 Å²	59.2	45%	0.453	31%	0.306	S	S	.	.			trans	-116.9	146.1	179.4	-62.6	165.8	61.2	-175	-2.2	110.5	S14 Q16 E23	S14-R18 WeakPolarHBondContact CB-O 3.08Å; S14-R18 PolarHBondContact N-O 3.05Å; S14-R18 PolarHBondContact OG-N 2.95Å; S14-R18 VanDerWaalsContact OG-N 3.12Å; S14-R18 PolarHBondContact OG-O 3.08Å; Q16-R18 HydrophobicContact CB-CG 4.48Å; R18-E23 IonicContact CZ-OE1 3.47Å; R18-E23 IonicContact CZ-OE2 3.12Å; R18-E23 IonicContact NE-OE1 3.35Å; R18-E23 PolarHBondContact NE-OE1 3.14Å; R18-E23 IonicContact NE-OE2 3.18Å; R18-E23 IonicContact NH2-OE1 2.84Å; R18-E23 PolarHBondContact NH2-OE1 2.99Å; R18-E23 IonicContact NH2-OE2 3.1Å; R18-E23 PolarHBondContact NH2-OE2 3.1Å
19	I	96.9	Very high	96.7	Very high	23 Å²	23	54.4 Å²	54.4	12%	0.118	28%	0.28	C	S	.	.			trans	-105.6	101.4	171.5	-58.6	174.4	0	0	0	108	V10 W13 Q21 I22 E23	V10-I19 HydrophobicContact CG2-CG2 4.17Å; V10-I19 WeakPolarHBondContact O-CG2 3.44Å; W13-I19 HydrophobicContact CD2-CD1 4.22Å; W13-I19 HydrophobicContact CD2-CG1 3.89Å; W13-I19 HydrophobicContact CE3-CD1 4.27Å; W13-I19 HydrophobicContact CE3-CG1 3.69Å; W13-I19 HydrophobicContact CH2-CD1 3.79Å; W13-I19 HydrophobicContact CH2-CG1 4.05Å; W13-I19 HydrophobicContact CZ2-CD1 3.71Å; W13-I19 HydrophobicContact CZ2-CG1 4.22Å; W13-I19 HydrophobicContact CZ3-CD1 4.06Å; W13-I19 HydrophobicContact CZ3-CG1 3.78Å; I19-Q21 VanDerWaalsContact C-N 3.27Å; I19-Q21 HydrophobicContact CG2-CB 4.4Å; I19-Q21 PolarHBondContact O-N 3.44Å; I19-I22 HydrophobicContact CB-CD1 3.99Å; I19-I22 HydrophobicContact CB-CG1 4.16Å; I19-I22 HydrophobicContact CD1-CD1 3.95Å; I19-I22 HydrophobicContact CG2-CB 4.46Å; I19-I22 HydrophobicContact CG2-CD1 4.05Å; I19-I22 HydrophobicContact CG2-CG1 3.85Å; I19-I22 PolarHBondContact O-N 3.2Å; I19-I22 VanDerWaalsContact O-N 3.11Å; I19-E23 PolarHBondContact O-N 3.33Å
20	H	96.6	Very high	96.8	Very high	11 Å²	11	57.2 Å²	57.2	5%	0.051	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-32.1	-173.5	-60	138.8	0	0	0	113	Y6 D7 I22 E23 Y24	Y6-H20 PolarHBondContact O-ND1 3.25Å; Y6-H20 VanDerWaalsContact O-ND1 3.15Å; D7-H20 HydrophobicContact CB-CB 3.72Å; H20-I22 VanDerWaalsContact C-N 3.27Å; H20-I22 PolarHBondContact O-N 2.88Å; H20-E23 IonicContact CD2-OE2 2.96Å; H20-E23 WeakPolarHBondContact O-CA 3.38Å; H20-E23 WeakPolarHBondContact O-CB 3.23Å; H20-E23 PolarHBondContact O-N 3.05Å; H20-Y24 HydrophobicContact CB-CE1 4.25Å; H20-Y24 HydrophobicContact CB-CE2 4.31Å; H20-Y24 VanDerWaalsContact O-CD1 3.32Å; H20-Y24 WeakPolarHBondContact O-CD1 3.45Å; H20-Y24 PolarHBondContact O-N 2.97Å
21	Q	97.5	Very high	96.8	Very high	48 Å²	48	62.9 Å²	62.9	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-33.9	176	-79.6	-67.9	-44.9	0	0	113.2	D7 N8 V10 I19 A25	D7-Q21 PolarHBondContact O-NE2 3.34Å; N8-Q21 PolarHBondContact O-NE2 3.42Å; V10-Q21 HydrophobicContact CB-CB 4.21Å; V10-Q21 HydrophobicContact CG2-CB 4.22Å; I19-Q21 VanDerWaalsContact C-N 3.27Å; I19-Q21 HydrophobicContact CG2-CB 4.4Å; I19-Q21 PolarHBondContact O-N 3.44Å; Q21-A25 WeakPolarHBondContact O-CB 3.04Å; Q21-A25 PolarHBondContact O-N 3.2Å
22	I	97.8	Very high	96.8	Very high	22 Å²	22	60.9 Å²	60.9	11%	0.113	31%	0.306	C	S	.	.	H	α-helix	trans	-69.5	-40.5	173.9	-63.4	178.3	0	0	0	109.9	V10 I19 H20 A25 M26 T120 P127	V10-I22 HydrophobicContact CG2-CG1 4.34Å; I19-I22 HydrophobicContact CB-CD1 3.99Å; I19-I22 HydrophobicContact CB-CG1 4.16Å; I19-I22 HydrophobicContact CD1-CD1 3.95Å; I19-I22 HydrophobicContact CG2-CB 4.46Å; I19-I22 HydrophobicContact CG2-CD1 4.05Å; I19-I22 HydrophobicContact CG2-CG1 3.85Å; I19-I22 PolarHBondContact O-N 3.2Å; I19-I22 VanDerWaalsContact O-N 3.11Å; H20-I22 VanDerWaalsContact C-N 3.27Å; H20-I22 PolarHBondContact O-N 2.88Å; I22-A25 PolarHBondContact O-N 2.96Å; I22-M26 HydrophobicContact CG2-CE 4.39Å; I22-M26 WeakPolarHBondContact O-CG 3.39Å; I22-M26 PolarHBondContact O-N 3.36Å; I22-T120 HydrophobicContact CD1-CG2 4.45Å; I22-P127 HydrophobicContact CG1-CG 3.89Å
23	E	97.3	Very high	96.8	Very high	46 Å²	46	59.1 Å²	59.1	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-38.6	177.6	-59.1	179.7	167.4	0	0	112.8	R18 I19 H20 A25 M26 E27	R18-E23 IonicContact CZ-OE1 3.47Å; R18-E23 IonicContact CZ-OE2 3.12Å; R18-E23 IonicContact NE-OE1 3.35Å; R18-E23 PolarHBondContact NE-OE1 3.14Å; R18-E23 IonicContact NE-OE2 3.18Å; R18-E23 IonicContact NH2-OE1 2.84Å; R18-E23 PolarHBondContact NH2-OE1 2.99Å; R18-E23 IonicContact NH2-OE2 3.1Å; R18-E23 PolarHBondContact NH2-OE2 3.1Å; I19-E23 PolarHBondContact O-N 3.33Å; H20-E23 IonicContact CD2-OE2 2.96Å; H20-E23 WeakPolarHBondContact O-CA 3.38Å; H20-E23 WeakPolarHBondContact O-CB 3.23Å; H20-E23 PolarHBondContact O-N 3.05Å; E23-A25 VanDerWaalsContact C-N 3.35Å; E23-M26 HydrophobicContact CB-CE 4.18Å; E23-M26 HydrophobicContact CG-CE 3.87Å; E23-M26 WeakPolarHBondContact O-CB 3.49Å; E23-M26 PolarHBondContact O-N 2.92Å; E23-E27 PolarHBondContact O-N 2.97Å; E23-E27 VanDerWaalsContact O-N 3.09Å
24	Y	97.3	Very high	96.9	Very high	75 Å²	75	51.5 Å²	51.5	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-65.8	-40.1	174.7	-62.3	-8.9	0	0	0	110.9	R3 D7 H20 M26 E27 A28	R3-Y24 PolarHBondContact NE-OH 2.58Å; R3-Y24 VanDerWaalsContact NH2-CE1 3.29Å; R3-Y24 PolarHBondContact NH2-OH 3.4Å; R3-Y24 VanDerWaalsContact NH2-OH 3.12Å; D7-Y24 HydrophobicContact CB-CE2 3.81Å; D7-Y24 WeakPolarHBondContact CB-OH 3.43Å; D7-Y24 PolarHBondContact OD2-OH 2.75Å; H20-Y24 HydrophobicContact CB-CE1 4.25Å; H20-Y24 HydrophobicContact CB-CE2 4.31Å; H20-Y24 VanDerWaalsContact O-CD1 3.32Å; H20-Y24 WeakPolarHBondContact O-CD1 3.45Å; H20-Y24 PolarHBondContact O-N 2.97Å; Y24-M26 VanDerWaalsContact C-N 3.32Å; Y24-M26 PolarHBondContact O-N 3.05Å; Y24-E27 WeakPolarHBondContact O-CB 3.37Å; Y24-E27 PolarHBondContact O-N 3.26Å; Y24-E27 VanDerWaalsContact O-N 3.13Å; Y24-A28 PolarHBondContact O-N 3.2Å
25	A	97.9	Very high	97.1	Very high	14 Å²	14	51.2 Å²	51.2	12%	0.116	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-36.6	173.2	0	0	0	0	0	112.4	Q21 I22 E23 E27 A28 P127 P149	Q21-A25 WeakPolarHBondContact O-CB 3.04Å; Q21-A25 PolarHBondContact O-N 3.2Å; I22-A25 PolarHBondContact O-N 2.96Å; E23-A25 VanDerWaalsContact C-N 3.35Å; A25-E27 VanDerWaalsContact C-N 3.27Å; A25-E27 PolarHBondContact O-N 3.19Å; A25-A28 WeakPolarHBondContact O-CB 3.46Å; A25-A28 PolarHBondContact O-N 3.12Å; A25-P127 HydrophobicContact CB-CB 3.86Å; A25-P127 HydrophobicContact CB-CG 4.41Å; A25-P149 HydrophobicContact CB-CB 3.67Å; A25-P149 HydrophobicContact CB-CG 4.24Å
26	M	97.4	Very high	97.3	Very high	67 Å²	67	47.1 Å²	47.1	33%	0.33	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-33.7	172.7	-71.5	-170.4	-72.9	0	0	112.3	I22 E23 Y24 A28 V29 K30 P149	I22-M26 HydrophobicContact CG2-CE 4.39Å; I22-M26 WeakPolarHBondContact O-CG 3.39Å; I22-M26 PolarHBondContact O-N 3.36Å; E23-M26 HydrophobicContact CB-CE 4.18Å; E23-M26 HydrophobicContact CG-CE 3.87Å; E23-M26 WeakPolarHBondContact O-CB 3.49Å; E23-M26 PolarHBondContact O-N 2.92Å; Y24-M26 VanDerWaalsContact C-N 3.32Å; Y24-M26 PolarHBondContact O-N 3.05Å; M26-A28 VanDerWaalsContact C-N 3.32Å; M26-A28 PolarHBondContact O-N 3.07Å; M26-V29 WeakPolarHBondContact O-CB 3.31Å; M26-V29 PolarHBondContact O-N 3.16Å; M26-V29 VanDerWaalsContact O-N 3.16Å; M26-K30 PolarHBondContact O-N 2.85Å; M26-P149 HydrophobicContact CG-CB 4.25Å; M26-P149 HydrophobicContact CG-CG 4.21Å
27	E	97.8	Very high	97.4	Very high	76 Å²	76	41 Å²	41	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-66.3	-34.9	177	-159.8	57.7	-154.1	0	0	112.2	E23 Y24 A25 V29 K30 Q31	E23-E27 PolarHBondContact O-N 2.97Å; E23-E27 VanDerWaalsContact O-N 3.09Å; Y24-E27 WeakPolarHBondContact O-CB 3.37Å; Y24-E27 PolarHBondContact O-N 3.26Å; Y24-E27 VanDerWaalsContact O-N 3.13Å; A25-E27 VanDerWaalsContact C-N 3.27Å; A25-E27 PolarHBondContact O-N 3.19Å; E27-V29 PolarHBondContact O-N 3.45Å; E27-K30 PolarHBondContact O-N 3.23Å; E27-K30 VanDerWaalsContact OE2-CD 3.32Å; E27-K30 WeakPolarHBondContact OE2-CD 3.18Å; E27-K30 WeakPolarHBondContact OE2-CE 3.14Å; E27-K30 IonicContact OE2-NZ 3.33Å; E27-K30 PolarHBondContact OE2-NZ 3.1Å; E27-Q31 WeakPolarHBondContact O-CG 3.33Å; E27-Q31 PolarHBondContact O-N 2.94Å
28	A	97.5	Very high	97.6	Very high	30 Å²	30	38.6 Å²	38.6	25%	0.248	19%	0.185	C	C	.	.	H	α-helix	trans	-57.1	-38.4	172.2	0	0	0	0	0	112	Y24 A25 M26 Q31 G32 G76	Y24-A28 PolarHBondContact O-N 3.2Å; A25-A28 WeakPolarHBondContact O-CB 3.46Å; A25-A28 PolarHBondContact O-N 3.12Å; M26-A28 VanDerWaalsContact C-N 3.32Å; M26-A28 PolarHBondContact O-N 3.07Å; A28-Q31 PolarHBondContact O-N 3.37Å; A28-G32 PolarHBondContact O-N 3.18Å; A28-G76 WeakPolarHBondContact O-CA 3.42Å
29	V	97.9	Very high	97.7	Very high	14 Å²	14	34.1 Å²	34.1	9%	0.085	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-43.2	175.2	-174.8	0	0	0	0	111	M26 E27 Q31 G32 A75 G131 P149 I161 G162	M26-V29 WeakPolarHBondContact O-CB 3.31Å; M26-V29 PolarHBondContact O-N 3.16Å; M26-V29 VanDerWaalsContact O-N 3.16Å; E27-V29 PolarHBondContact O-N 3.45Å; V29-Q31 VanDerWaalsContact C-N 3.27Å; V29-Q31 PolarHBondContact O-N 2.86Å; V29-G32 PolarHBondContact O-N 2.87Å; V29-G32 VanDerWaalsContact O-N 3.16Å; V29-A75 HydrophobicContact CG1-CB 4Å; V29-G131 VanDerWaalsContact CG2-N 3.33Å; V29-P149 HydrophobicContact CG2-CG 3.61Å; V29-I161 HydrophobicContact CG1-CB 4.46Å; V29-I161 HydrophobicContact CG1-CD1 4.45Å; V29-G162 WeakPolarHBondContact O-CA 3.3Å
30	K	97.4	Very high	97.8	Very high	116 Å²	116	33.1 Å²	33.1	50%	0.504	16%	0.164	S	C	.	.	H	α-helix	trans	-64.2	-29.3	178.9	-63.1	-171.1	-152.4	146.7	0	113.2	M26 E27 G162 A163	M26-K30 PolarHBondContact O-N 2.85Å; E27-K30 PolarHBondContact O-N 3.23Å; E27-K30 VanDerWaalsContact OE2-CD 3.32Å; E27-K30 WeakPolarHBondContact OE2-CD 3.18Å; E27-K30 WeakPolarHBondContact OE2-CE 3.14Å; E27-K30 IonicContact OE2-NZ 3.33Å; E27-K30 PolarHBondContact OE2-NZ 3.1Å; K30-G162 CarbonylContact O-C 3.37Å; K30-A163 WeakPolarHBondContact O-CA 3.48Å; K30-A163 PolarHBondContact O-N 3.09Å
31	Q	96.6	Very high	97.8	Very high	126 Å²	126	37.8 Å²	37.8	59%	0.589	18%	0.184	S	C	*	.	H	α-helix	trans	-79.9	-20.2	176.4	-63.5	-60.3	-27.7	0	0	113.4	E27 A28 V29 R51	E27-Q31 WeakPolarHBondContact O-CG 3.33Å; E27-Q31 PolarHBondContact O-N 2.94Å; A28-Q31 PolarHBondContact O-N 3.37Å; V29-Q31 VanDerWaalsContact C-N 3.27Å; V29-Q31 PolarHBondContact O-N 2.86Å; Q31-R51 PolarHBondContact O-NH1 3.22Å
32	G	96.4	Very high	97.9	Very high	11 Å²	11	38.3 Å²	38.3	11%	0.113	19%	0.19	C	C	.	.	S	Bend	trans	-60.3	154.5	175.1	0	0	0	0	0	112.7	A28 V29 G162 A163	A28-G32 PolarHBondContact O-N 3.18Å; V29-G32 PolarHBondContact O-N 2.87Å; V29-G32 VanDerWaalsContact O-N 3.16Å; G32-G162 CarbonylContact O-C 3.55Å; G32-G162 WeakPolarHBondContact O-CA 3.41Å; G32-A163 WeakPolarHBondContact O-CB 2.95Å; G32-A163 PolarHBondContact O-N 3.24Å
33	S	97	Very high	97.9	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.07	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-62.5	148.4	175.2	61.1	0	0	0	0	112	L49 K62	S33-L49 WeakPolarHBondContact CB-O 3.46Å; S33-L49 PolarHBondContact OG-O 2.82Å; S33-K62 PolarHBondContact O-NZ 3.06Å; S33-K62 VanDerWaalsContact OG-CD 3.31Å; S33-K62 WeakPolarHBondContact OG-CD 3.42Å; S33-K62 WeakPolarHBondContact OG-CE 3.26Å; S33-K62 PolarHBondContact OG-NZ 2.9Å
34	A	98.4	Very high	98	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-62.9	145.6	-175.7	0	0	0	0	0	112.4	L49 I161 L195 T198	A34-L49 PolarHBondContact O-N 2.8Å; A34-I161 WeakPolarHBondContact CA-O 3.32Å; A34-L195 HydrophobicContact CB-CD1 3.86Å; A34-T198 HydrophobicContact CB-CG2 3.77Å; A34-T198 WeakPolarHBondContact CB-OG1 3.4Å
35	T	98.7	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.5	166.3	-177.9	0	0	0	0	109.9	V47 S73 L133 S160 I161	T35-V47 CarbonylContact C-O 3.51Å; T35-V47 VanDerWaalsContact CA-O 3.25Å; T35-V47 WeakPolarHBondContact CA-O 3.42Å; T35-V47 WeakPolarHBondContact CB-O 3.06Å; T35-V47 PolarHBondContact OG1-O 2.9Å; T35-S73 VanDerWaalsContact CB-OG 3.27Å; T35-S73 WeakPolarHBondContact CB-OG 3.3Å; T35-S73 WeakPolarHBondContact CG2-OG 3.4Å; T35-S73 WeakPolarHBondContact OG1-CB 3.48Å; T35-S73 PolarHBondContact OG1-OG 3.44Å; T35-L133 HydrophobicContact CG2-CD1 3.82Å; T35-L133 HydrophobicContact CG2-CG 4.24Å; T35-S160 VanDerWaalsContact O-CA 3.24Å; T35-S160 WeakPolarHBondContact O-CA 3.43Å; T35-S160 WeakPolarHBondContact O-CB 3.34Å; T35-S160 PolarHBondContact O-OG 3.27Å; T35-I161 HydrophobicContact CG2-CD1 4.23Å; T35-I161 HydrophobicContact CG2-CG1 3.59Å; T35-I161 PolarHBondContact N-O 2.68Å; T35-I161 PolarHBondContact O-N 3.11Å; T35-I161 VanDerWaalsContact O-N 3.13Å
36	V	98.8	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.7	-177.6	178.5	0	0	0	0	108	L38 L46 V47 M159 A168 L172 A194 L195	V36-L38 HydrophobicContact CG1-CD2 4.26Å; V36-L46 CarbonylContact O-C 3.48Å; V36-L46 WeakPolarHBondContact O-CA 3.46Å; V36-V47 PolarHBondContact N-O 3.25Å; V36-V47 PolarHBondContact O-N 3.16Å; V36-M159 CarbonylContact C-O 3.44Å; V36-M159 WeakPolarHBondContact CA-O 3.41Å; V36-A168 HydrophobicContact CG2-CB 4.11Å; V36-L172 HydrophobicContact CG1-CD1 4.09Å; V36-L172 HydrophobicContact CG1-CD2 4.06Å; V36-A194 HydrophobicContact CG1-CB 4.08Å; V36-A194 HydrophobicContact CG2-CB 4.12Å; V36-L195 HydrophobicContact CG2-CB 4.14Å; V36-L195 HydrophobicContact CG2-CD1 4.18Å
37	G	98.8	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137	171.2	0	0	0	0	0	109.6	V45 A158 M159	G37-V45 VanDerWaalsContact CA-O 3.29Å; G37-V45 WeakPolarHBondContact CA-O 3.4Å; G37-A158 CarbonylContact O-C 3.52Å; G37-A158 WeakPolarHBondContact O-CA 3.38Å; G37-M159 PolarHBondContact N-O 2.88Å; G37-M159 PolarHBondContact O-N 2.82Å
38	L	98.8	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	152.9	179.4	68.1	171.5	0	0	0	110.8	V36 V45 A158 F179 L187 H190	V36-L38 HydrophobicContact CG1-CD2 4.26Å; L38-V45 HydrophobicContact CD2-CB 4.13Å; L38-V45 HydrophobicContact CD2-CG1 4.29Å; L38-V45 PolarHBondContact N-O 3.49Å; L38-V45 PolarHBondContact O-N 3.46Å; L38-A158 HydrophobicContact CB-CB 3.72Å; L38-F179 HydrophobicContact CB-CD2 4.45Å; L38-F179 HydrophobicContact CD1-CD1 4.38Å; L38-F179 HydrophobicContact CD1-CD2 4.44Å; L38-F179 HydrophobicContact CD1-CE1 4.28Å; L38-F179 HydrophobicContact CD1-CE2 4.33Å; L38-F179 HydrophobicContact CD1-CG 4.49Å; L38-F179 HydrophobicContact CD1-CZ 4.26Å; L38-L187 HydrophobicContact CD1-CD1 3.7Å; L38-L187 HydrophobicContact CD1-CG 4.23Å; L38-L187 HydrophobicContact CG-CD1 3.79Å; L38-L187 HydrophobicContact CG-CG 4.08Å; L38-H190 HydrophobicContact CD1-CB 3.86Å
39	K	98.7	Very high	98.2	Very high	27 Å²	27	24.5 Å²	24.5	12%	0.117	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.6	179.9	58.3	179.9	-177.6	-168.2	0	112.8	H43 A44 P142 I144 D155 C156 R157	K39-H43 CarbonylContact C-O 3.56Å; K39-H43 VanDerWaalsContact CA-O 3.26Å; K39-H43 WeakPolarHBondContact CA-O 3.26Å; K39-H43 WeakPolarHBondContact CB-O 3.31Å; K39-A44 HydrophobicContact CB-CB 4.43Å; K39-P142 HydrophobicContact CB-CB 4.26Å; K39-P142 HydrophobicContact CB-CG 4.46Å; K39-P142 WeakPolarHBondContact CD-O 3.49Å; K39-I144 HydrophobicContact CB-CG1 3.9Å; K39-I144 HydrophobicContact CD-CG1 4.36Å; K39-I144 HydrophobicContact CG-CG1 4.13Å; K39-D155 IonicContact NZ-OD1 2.76Å; K39-D155 PolarHBondContact NZ-OD1 2.78Å; K39-C156 VanDerWaalsContact CE-O 3.24Å; K39-C156 WeakPolarHBondContact CE-O 3.4Å; K39-R157 WeakPolarHBondContact CG-O 3.21Å; K39-R157 PolarHBondContact N-O 3.01Å
40	S	98.5	Very high	98.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.118	C	C	.	.			trans	-98	-167	161	70.9	0	0	0	0	110.2	T42 H43 P142 F179	S40-T42 PolarHBondContact O-N 3.24Å; S40-T42 PolarHBondContact OG-N 2.85Å; S40-T42 PolarHBondContact OG-OG1 3.41Å; S40-H43 PolarHBondContact N-O 3.07Å; S40-H43 PolarHBondContact OG-N 2.95Å; S40-P142 WeakPolarHBondContact O-CG 3.24Å; S40-F179 WeakPolarHBondContact CA-O 3.28Å; S40-F179 WeakPolarHBondContact CB-O 3.45Å
41	K	98.1	Very high	98	Very high	110 Å²	110	24.2 Å²	24.2	48%	0.478	12%	0.115	S	C	.	.	S	Bend	trans	-64.8	-24.8	169.9	-75.7	172.6	-174.6	169.6	0	114	P142 M180 E181	K41-P142 VanDerWaalsContact O-CD 3.23Å; K41-P142 WeakPolarHBondContact O-CD 3.19Å; K41-M180 HydrophobicContact CG-CB 4.4Å; K41-M180 HydrophobicContact CG-CE 3.75Å; K41-M180 VanDerWaalsContact CG-O 3.25Å; K41-M180 WeakPolarHBondContact CG-O 3.25Å; K41-M180 PolarHBondContact N-O 3.45Å; K41-E181 WeakPolarHBondContact CE-OE1 3.48Å; K41-E181 IonicContact NZ-OE1 3.74Å; K41-E181 PolarHBondContact NZ-OE1 3.45Å; K41-E181 IonicContact NZ-OE2 2.81Å; K41-E181 PolarHBondContact NZ-OE2 3.25Å
42	T	98.1	Very high	97.9	Very high	58 Å²	58	20 Å²	20	36%	0.356	10%	0.101	S	C	.	.	S	Bend	trans	-120.8	-20.9	-167.5	52.5	0	0	0	0	113.9	S40 Y137 G216 K217	S40-T42 PolarHBondContact O-N 3.24Å; S40-T42 PolarHBondContact OG-N 2.85Å; S40-T42 PolarHBondContact OG-OG1 3.41Å; T42-Y137 VanDerWaalsContact O-CE2 3.31Å; T42-Y137 WeakPolarHBondContact O-CE2 3.47Å; T42-G216 CarbonylContact O-C 3.57Å; T42-G216 WeakPolarHBondContact O-CA 3.22Å; T42-K217 PolarHBondContact O-N 3.44Å
43	H	98.6	Very high	97.8	Very high	30 Å²	30	28.7 Å²	28.7	14%	0.139	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.1	-173.8	-63.3	79.8	0	0	0	112	K39 S40 L184 L187 V215	K39-H43 CarbonylContact C-O 3.56Å; K39-H43 VanDerWaalsContact CA-O 3.26Å; K39-H43 WeakPolarHBondContact CA-O 3.26Å; K39-H43 WeakPolarHBondContact CB-O 3.31Å; S40-H43 PolarHBondContact N-O 3.07Å; S40-H43 PolarHBondContact OG-N 2.95Å; H43-L184 HydrophobicContact CB-CD1 4.09Å; H43-L187 HydrophobicContact CB-CD2 4.27Å; H43-V215 CarbonylContact C-O 3.58Å; H43-V215 WeakPolarHBondContact CA-O 3.49Å
44	A	98.8	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.6	167.3	0	0	0	0	0	108.8	K39 A135 P142 H143 I144 V215	K39-A44 HydrophobicContact CB-CB 4.43Å; A44-A135 HydrophobicContact CB-CB 3.92Å; A44-P142 HydrophobicContact CB-CB 4.02Å; A44-H143 WeakPolarHBondContact CB-O 3.06Å; A44-I144 HydrophobicContact CB-CD1 3.86Å; A44-I144 HydrophobicContact CB-CG1 4.34Å; A44-V215 HydrophobicContact CB-CG1 3.96Å; A44-V215 PolarHBondContact N-O 3.35Å; A44-V215 PolarHBondContact O-N 2.96Å
45	V	98.8	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.8	-175.5	176.4	0	0	0	0	109.6	G37 L38 V47 L184 L187 V188 I212 G213 I214	G37-V45 VanDerWaalsContact CA-O 3.29Å; G37-V45 WeakPolarHBondContact CA-O 3.4Å; L38-V45 HydrophobicContact CD2-CB 4.13Å; L38-V45 HydrophobicContact CD2-CG1 4.29Å; L38-V45 PolarHBondContact N-O 3.49Å; L38-V45 PolarHBondContact O-N 3.46Å; V45-V47 HydrophobicContact CG1-CG2 3.9Å; V45-L184 HydrophobicContact CG2-CD1 4Å; V45-L187 HydrophobicContact CB-CD2 4.35Å; V45-L187 HydrophobicContact CG2-CD2 3.67Å; V45-L187 HydrophobicContact CG2-CG 4.15Å; V45-V188 HydrophobicContact CG1-CG2 3.95Å; V45-V188 HydrophobicContact CG2-CG2 3.98Å; V45-I212 HydrophobicContact CG1-CG2 4.26Å; V45-G213 CarbonylContact C-O 3.57Å; V45-G213 WeakPolarHBondContact CA-O 3.29Å; V45-I214 HydrophobicContact CG2-CG1 4.41Å; V45-I214 HydrophobicContact CG2-CG2 4.28Å
46	L	98.9	Very high	97	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.3	168.1	-60.7	175.6	0	0	0	108.8	V36 I63 L133 A135 I144 I212 G213 F221	V36-L46 CarbonylContact O-C 3.48Å; V36-L46 WeakPolarHBondContact O-CA 3.46Å; L46-I63 HydrophobicContact CB-CD1 4.08Å; L46-L133 HydrophobicContact CD2-CB 3.79Å; L46-A135 HydrophobicContact CD1-CB 3.7Å; L46-A135 HydrophobicContact CD2-CB 3.92Å; L46-A135 HydrophobicContact CG-CB 3.55Å; L46-I144 HydrophobicContact CD2-CD1 4.23Å; L46-I212 CarbonylContact O-C 3.47Å; L46-I212 WeakPolarHBondContact O-CA 3.49Å; L46-G213 PolarHBondContact N-O 3.35Å; L46-G213 PolarHBondContact O-N 3.04Å; L46-F221 HydrophobicContact CD1-CE2 4.28Å; L46-F221 HydrophobicContact CD1-CZ 4.47Å
47	V	98.7	Very high	96.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.5	173.4	-166.9	0	0	0	0	107.7	T35 V36 V45 L192 L195 V210 S211 I212	T35-V47 CarbonylContact C-O 3.51Å; T35-V47 VanDerWaalsContact CA-O 3.25Å; T35-V47 WeakPolarHBondContact CA-O 3.42Å; T35-V47 WeakPolarHBondContact CB-O 3.06Å; T35-V47 PolarHBondContact OG1-O 2.9Å; V36-V47 PolarHBondContact N-O 3.25Å; V36-V47 PolarHBondContact O-N 3.16Å; V45-V47 HydrophobicContact CG1-CG2 3.9Å; V47-L192 HydrophobicContact CG1-CD2 3.6Å; V47-L192 HydrophobicContact CG1-CG 4.27Å; V47-L195 HydrophobicContact CB-CD2 4.4Å; V47-L195 HydrophobicContact CG1-CB 4.36Å; V47-L195 HydrophobicContact CG1-CD2 3.53Å; V47-V210 HydrophobicContact CG1-CG1 4.29Å; V47-S211 WeakPolarHBondContact CA-O 3.46Å; V47-I212 HydrophobicContact CG1-CG1 4.39Å
48	A	98.7	Very high	96.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.4	-176.4	0	0	0	0	0	112.2	K62 I63 S211	A48-K62 HydrophobicContact CB-CB 3.6Å; A48-K62 HydrophobicContact CB-CG 4.38Å; A48-I63 HydrophobicContact CB-CD1 4.11Å; A48-I63 HydrophobicContact CB-CG1 3.87Å; A48-S211 PolarHBondContact N-O 3.33Å; A48-S211 PolarHBondContact O-N 3.18Å
49	L	98.3	Very high	96.2	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.058	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.9	169.2	-172.9	71.6	0	0	0	109.1	S33 A34 L195 L199 L205 N209	S33-L49 WeakPolarHBondContact CB-O 3.46Å; S33-L49 PolarHBondContact OG-O 2.82Å; A34-L49 PolarHBondContact O-N 2.8Å; L49-L195 HydrophobicContact CB-CD1 4.07Å; L49-L195 HydrophobicContact CB-CD2 4.24Å; L49-L195 HydrophobicContact CB-CG 4.42Å; L49-L199 HydrophobicContact CD1-CD2 3.89Å; L49-L199 HydrophobicContact CD2-CD2 3.54Å; L49-L199 HydrophobicContact CG-CD2 4.38Å; L49-L205 HydrophobicContact CD1-CD2 4.32Å; L49-N209 CarbonylContact C-O 3.56Å; L49-N209 WeakPolarHBondContact CA-O 3.29Å; L49-N209 HydrophobicContact CD1-CB 4.17Å
50	K	97.6	Very high	96	Very high	11 Å²	11	62.1 Å²	62.1	5%	0.048	33%	0.328	C	S	.	.			trans	-81.3	149.5	170.5	-53.5	-178.4	-73.6	-159	0	109.5	H59 K62 K208 N209 V210 D225 D226	K50-H59 HydrophobicContact CB-CB 3.71Å; K50-H59 HydrophobicContact CD-CB 4.14Å; K50-K62 HydrophobicContact CG-CG 4.48Å; K50-K208 WeakPolarHBondContact CE-O 3.35Å; K50-N209 PolarHBondContact N-O 3.05Å; K50-V210 WeakPolarHBondContact CE-O 3.32Å; K50-V210 PolarHBondContact NZ-O 2.81Å; K50-V210 VanDerWaalsContact NZ-O 3.08Å; K50-D225 IonicContact NZ-OD1 3.7Å; K50-D225 PolarHBondContact NZ-OD1 2.99Å; K50-D226 IonicContact NZ-OD1 3.51Å
51	R	93.7	Very high	95.8	Very high	112 Å²	112	68.6 Å²	68.6	42%	0.423	36%	0.356	S	S	.	.			trans	-122.3	142.1	172.7	-70.2	-178.2	-177.9	159	2.8	109.2	Q31 Q60	Q31-R51 PolarHBondContact O-NH1 3.22Å; R51-Q60 PolarHBondContact O-N 2.83Å
52	A	93.9	Very high	95.8	Very high	37 Å²	37	64 Å²	64	31%	0.306	34%	0.336	S	S	.	.			trans	-104	146.6	166.4	0	0	0	0	0	109.5	A57	A52-A57 HydrophobicContact CB-CB 4.48Å; A52-A57 WeakPolarHBondContact CB-O 3.46Å
53	Q	92.9	Very high	95.8	Very high	195 Å²	195	61.5 Å²	61.5	91%	0.911	32%	0.32	S	S	*	.	S	Bend	trans	-77	-29.5	178.5	-174.6	176	2.8	0	0	112.3	A57	Q53-A57 HydrophobicContact CB-CB 4.37Å
54	S	93.6	Very high	95.8	Very high	67 Å²	67	61.6 Å²	61.6	47%	0.469	32%	0.322	S	S	.	.	S	Bend	trans	-149.9	168.1	176.5	64.2	0	0	0	0	108.8	L56 A57	S54-L56 PolarHBondContact O-N 3.09Å; S54-A57 WeakPolarHBondContact O-CB 3.47Å; S54-A57 PolarHBondContact O-N 3.16Å; S54-A57 PolarHBondContact OG-N 2.93Å
55	E	91.5	Very high	95.8	Very high	201 Å²	201	64.9 Å²	64.9	94%	0.939	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.5	-179.3	-64.2	178.4	174.9	0	0	113.5
56	L	93.7	Very high	95.8	Very high	175 Å²	175	65.3 Å²	65.3	92%	0.916	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-10.2	178.3	-59.7	177.2	0	0	0	113	S54	S54-L56 PolarHBondContact O-N 3.09Å
57	A	94	Very high	95.8	Very high	33 Å²	33	65.9 Å²	65.9	27%	0.273	34%	0.343	S	S	.	.	S	Bend	trans	-81.4	138.6	179	0	0	0	0	0	110.7	A52 Q53 S54	A52-A57 HydrophobicContact CB-CB 4.48Å; A52-A57 WeakPolarHBondContact CB-O 3.46Å; Q53-A57 HydrophobicContact CB-CB 4.37Å; S54-A57 WeakPolarHBondContact O-CB 3.47Å; S54-A57 PolarHBondContact O-N 3.16Å; S54-A57 PolarHBondContact OG-N 2.93Å
58	A	92.8	Very high	95.7	Very high	93 Å²	93	68.9 Å²	68.9	77%	0.769	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-63	147.4	168.1	0	0	0	0	0	110.6	Q60	A58-Q60 PolarHBondContact O-N 3.35Å
59	H	93.2	Very high	95.7	Very high	64 Å²	64	69.8 Å²	69.8	30%	0.296	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-68.4	129.5	176.8	-81.5	81.6	0	0	0	110.6	K50 K61 K208	K50-H59 HydrophobicContact CB-CB 3.71Å; K50-H59 HydrophobicContact CD-CB 4.14Å; H59-K61 PolarHBondContact O-N 3.04Å; H59-K208 PolarHBondContact CD2-O 3.01Å; H59-K208 PolarHBondContact ND1-O 3.3Å
60	Q	93.6	Very high	95.8	Very high	107 Å²	107	69.2 Å²	69.2	50%	0.5	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-65	125	-179.3	-179.9	60.8	62.1	0	0	110.6	R51 A58	R51-Q60 PolarHBondContact O-N 2.83Å; A58-Q60 PolarHBondContact O-N 3.35Å
61	K	95	Very high	95.8	Very high	136 Å²	136	68.7 Å²	68.7	59%	0.591	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-60.2	137.9	176.4	-63	-170.8	178.6	-167.4	0	111.4	H59	H59-K61 PolarHBondContact O-N 3.04Å
62	K	97.2	Very high	96.1	Very high	14 Å²	14	63.4 Å²	63.4	6%	0.061	34%	0.338	C	S	.	.			trans	-122.5	-28.7	-175	-74.6	-79.8	-68.3	-164.4	0	113.5	S33 A48 K50 S73 I74	S33-K62 PolarHBondContact O-NZ 3.06Å; S33-K62 VanDerWaalsContact OG-CD 3.31Å; S33-K62 WeakPolarHBondContact OG-CD 3.42Å; S33-K62 WeakPolarHBondContact OG-CE 3.26Å; S33-K62 PolarHBondContact OG-NZ 2.9Å; A48-K62 HydrophobicContact CB-CB 3.6Å; A48-K62 HydrophobicContact CB-CG 4.38Å; K50-K62 HydrophobicContact CG-CG 4.48Å; K62-S73 WeakPolarHBondContact O-CA 3.46Å; K62-I74 HydrophobicContact CD-CG1 4.37Å; K62-I74 WeakPolarHBondContact CE-O 3.45Å; K62-I74 PolarHBondContact NZ-O 3.42Å; K62-I74 WeakPolarHBondContact O-CG1 3.43Å; K62-I74 PolarHBondContact O-N 3.47Å
63	I	98.6	Very high	96.3	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.026	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.5	176.6	-58.7	-177.1	0	0	0	108.1	L46 A48 I72 S211 F221 I223	L46-I63 HydrophobicContact CB-CD1 4.08Å; A48-I63 HydrophobicContact CB-CD1 4.11Å; A48-I63 HydrophobicContact CB-CG1 3.87Å; I63-I72 CarbonylContact C-O 3.54Å; I63-I72 VanDerWaalsContact CA-O 3.25Å; I63-I72 WeakPolarHBondContact CA-O 3.33Å; I63-S211 WeakPolarHBondContact CD1-O 3.41Å; I63-F221 HydrophobicContact CG2-CE1 4.08Å; I63-F221 HydrophobicContact CG2-CZ 3.57Å; I63-I223 HydrophobicContact CG2-CD1 4Å; I63-I223 HydrophobicContact CG2-CG1 3.93Å; I63-I223 HydrophobicContact CG2-CG2 4.49Å
64	L	98.5	Very high	96.6	Very high	33 Å²	33	52.7 Å²	52.7	17%	0.173	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.7	-177.1	-56	173.5	0	0	0	109.6	I72 I74 C85	L64-I72 HydrophobicContact CB-CD1 4.36Å; L64-I72 HydrophobicContact CB-CG1 3.88Å; L64-I72 HydrophobicContact CD1-CD1 4.37Å; L64-I72 PolarHBondContact N-O 2.96Å; L64-I72 PolarHBondContact O-N 2.76Å; L64-I74 HydrophobicContact CD1-CG2 4.12Å; L64-C85 HydrophobicContact CD1-CB 4.14Å
65	H	98.6	Very high	96.8	Very high	68 Å²	68	49.6 Å²	49.6	32%	0.315	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.4	172.6	-174.8	-75.7	0	0	0	110.4	D67 R89 F221 I223	H65-D67 PolarHBondContact CE1-O 3.39Å; H65-D67 PolarHBondContact NE2-O 3.35Å; H65-R89 PolarHBondContact O-NE 2.89Å; H65-R89 PolarHBondContact O-NH2 3.18Å; H65-F221 HydrophobicContact CB-CD1 4.37Å; H65-F221 AromaticContact CD2-CD1 3.81Å; H65-F221 PolarHBondContact CD2-O 3.3Å; H65-I223 HydrophobicContact CB-CD1 4.37Å
66	V	98.7	Very high	97.1	Very high	10 Å²	10	41.1 Å²	41.1	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-56.3	175.4	175.2	0	0	0	0	110.2	I70 I72 M88 R89	V66-I70 HydrophobicContact CB-CB 4.31Å; V66-I70 HydrophobicContact CB-CG2 4.07Å; V66-I70 WeakPolarHBondContact CB-O 3.48Å; V66-I70 HydrophobicContact CG1-CG2 4.33Å; V66-I70 PolarHBondContact N-O 3.12Å; V66-I70 VanDerWaalsContact N-O 3.07Å; V66-I72 HydrophobicContact CG2-CD1 4.17Å; V66-I72 HydrophobicContact CG2-CG1 4.07Å; V66-I72 HydrophobicContact CG2-CG2 3.88Å; V66-M88 HydrophobicContact CG1-CB 3.62Å; V66-M88 HydrophobicContact CG1-CE 4.35Å; V66-M88 HydrophobicContact CG2-CB 4.39Å; V66-M88 HydrophobicContact CG2-CE 4.09Å; V66-M88 HydrophobicContact CG2-SD 4.48Å; V66-R89 HydrophobicContact CG1-CG 4.28Å; V66-R89 WeakPolarHBondContact O-CG 3.28Å
67	D	98.6	Very high	97.2	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.064	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	168.8	179.1	-166	4.2	0	0	0	108.5	H65 H69 I70 C92 R96	H65-D67 PolarHBondContact CE1-O 3.39Å; H65-D67 PolarHBondContact NE2-O 3.35Å; D67-H69 PolarHBondContact O-N 2.88Å; D67-H69 IonicContact OD2-CE1 3.57Å; D67-H69 PolarHBondContact OD2-CE1 3.25Å; D67-H69 IonicContact OD2-ND1 3.4Å; D67-H69 PolarHBondContact OD2-ND1 2.9Å; D67-I70 HydrophobicContact CB-CB 4.49Å; D67-I70 PolarHBondContact N-O 3.1Å; D67-I70 CarbonylContact O-C 3.51Å; D67-I70 PolarHBondContact O-N 3.06Å; D67-C92 HydrophobicContact CB-CB 3.97Å; D67-R96 VanDerWaalsContact CG-NH2 3.3Å; D67-R96 IonicContact OD1-CZ 3.85Å; D67-R96 IonicContact OD1-NE 2.75Å; D67-R96 PolarHBondContact OD1-NE 3.01Å; D67-R96 VanDerWaalsContact OD1-NE 3.12Å; D67-R96 IonicContact OD1-NH2 2.86Å; D67-R96 PolarHBondContact OD1-NH2 2.92Å; D67-R96 VanDerWaalsContact OD1-NH2 3.1Å; D67-R96 IonicContact OD2-CZ 3.56Å; D67-R96 IonicContact OD2-NE 3.54Å; D67-R96 PolarHBondContact OD2-NE 2.98Å; D67-R96 IonicContact OD2-NH2 2.7Å; D67-R96 PolarHBondContact OD2-NH2 2.75Å
68	N	98.3	Very high	97.3	Very high	63 Å²	63	37.6 Å²	37.6	34%	0.337	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.8	-175.5	-65.6	18.3	0	0	0	112.9	E220 F221	N68-E220 HydrophobicContact CB-CG 4.2Å; N68-E220 WeakPolarHBondContact CB-OE1 3.41Å; N68-E220 PolarHBondContact ND2-OE1 3.33Å; N68-E220 CarbonylContact O-C 3.55Å; N68-E220 VanDerWaalsContact O-CA 3.26Å; N68-E220 WeakPolarHBondContact O-CA 3.43Å; N68-E220 WeakPolarHBondContact O-CB 3.49Å; N68-F221 PolarHBondContact O-N 3.07Å
69	H	98.7	Very high	97.5	Very high	18 Å²	18	35.9 Å²	35.9	8%	0.083	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	6.9	-180	70.7	-56.7	0	0	0	113.5	D67 R96 L103 G136 Y137	D67-H69 PolarHBondContact O-N 2.88Å; D67-H69 IonicContact OD2-CE1 3.57Å; D67-H69 PolarHBondContact OD2-CE1 3.25Å; D67-H69 IonicContact OD2-ND1 3.4Å; D67-H69 PolarHBondContact OD2-ND1 2.9Å; H69-R96 PolarHBondContact ND1-NH2 3.5Å; H69-L103 PolarHBondContact NE2-O 2.95Å; H69-G136 CarbonylContact O-C 3.57Å; H69-G136 WeakPolarHBondContact O-CA 3.47Å; H69-Y137 WeakPolarHBondContact CB-O 3.25Å; H69-Y137 PolarHBondContact CD2-O 3.41Å; H69-Y137 PolarHBondContact O-N 2.97Å
70	I	98.8	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	132.5	-176.7	-56.2	174	0	0	0	111.9	V66 D67 M88 V105 L108 I134 A135	V66-I70 HydrophobicContact CB-CB 4.31Å; V66-I70 HydrophobicContact CB-CG2 4.07Å; V66-I70 WeakPolarHBondContact CB-O 3.48Å; V66-I70 HydrophobicContact CG1-CG2 4.33Å; V66-I70 PolarHBondContact N-O 3.12Å; V66-I70 VanDerWaalsContact N-O 3.07Å; D67-I70 HydrophobicContact CB-CB 4.49Å; D67-I70 PolarHBondContact N-O 3.1Å; D67-I70 CarbonylContact O-C 3.51Å; D67-I70 PolarHBondContact O-N 3.06Å; I70-M88 HydrophobicContact CG2-CE 4.44Å; I70-V105 HydrophobicContact CD1-CG2 4.44Å; I70-V105 HydrophobicContact CG1-CG2 4.29Å; I70-L108 HydrophobicContact CD1-CD2 3.45Å; I70-L108 VanDerWaalsContact CD1-CD2 3.45Å; I70-L108 HydrophobicContact CG2-CD2 4.29Å; I70-I134 HydrophobicContact CG2-CG2 3.97Å; I70-A135 WeakPolarHBondContact CA-O 3.34Å
71	G	98.8	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	165.8	164.3	0	0	0	0	0	113.1	A135	G71-A135 PolarHBondContact N-O 2.88Å; G71-A135 PolarHBondContact O-N 2.76Å; G71-A135 VanDerWaalsContact O-O 3.08Å
72	I	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.6	-175.4	63.6	177.6	0	0	0	111.9	I63 L64 V66 I74 C85 M88 L132 L133 I134	I63-I72 CarbonylContact C-O 3.54Å; I63-I72 VanDerWaalsContact CA-O 3.25Å; I63-I72 WeakPolarHBondContact CA-O 3.33Å; L64-I72 HydrophobicContact CB-CD1 4.36Å; L64-I72 HydrophobicContact CB-CG1 3.88Å; L64-I72 HydrophobicContact CD1-CD1 4.37Å; L64-I72 PolarHBondContact N-O 2.96Å; L64-I72 PolarHBondContact O-N 2.76Å; V66-I72 HydrophobicContact CG2-CD1 4.17Å; V66-I72 HydrophobicContact CG2-CG1 4.07Å; V66-I72 HydrophobicContact CG2-CG2 3.88Å; I72-I74 HydrophobicContact CD1-CG2 4.18Å; I72-I74 HydrophobicContact CG1-CG2 4.34Å; I72-C85 HydrophobicContact CD1-CB 3.83Å; I72-M88 HydrophobicContact CD1-SD 4.25Å; I72-M88 HydrophobicContact CG2-CE 3.47Å; I72-M88 VanDerWaalsContact CG2-CE 3.47Å; I72-M88 HydrophobicContact CG2-SD 3.99Å; I72-L132 HydrophobicContact CD1-CD2 4.37Å; I72-L133 CarbonylContact C-O 3.52Å; I72-L133 VanDerWaalsContact CA-O 3.24Å; I72-L133 WeakPolarHBondContact CA-O 3.43Å; I72-I134 HydrophobicContact CG2-CB 4.32Å; I72-I134 HydrophobicContact CG2-CG1 3.85Å; I72-I134 HydrophobicContact CG2-CG2 4.24Å
73	S	98.8	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.7	164.7	-172.9	0	0	0	0	109.7	T35 K62 L132 L133	T35-S73 VanDerWaalsContact CB-OG 3.27Å; T35-S73 WeakPolarHBondContact CB-OG 3.3Å; T35-S73 WeakPolarHBondContact CG2-OG 3.4Å; T35-S73 WeakPolarHBondContact OG1-CB 3.48Å; T35-S73 PolarHBondContact OG1-OG 3.44Å; K62-S73 WeakPolarHBondContact O-CA 3.46Å; S73-L132 WeakPolarHBondContact O-CA 3.32Å; S73-L133 PolarHBondContact N-O 2.65Å; S73-L133 PolarHBondContact O-N 2.8Å
74	I	98.3	Very high	98.1	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.041	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.7	-166.9	67.3	164.9	0	0	0	111.1	K62 L64 I72 T78 A81 V130 L132	K62-I74 HydrophobicContact CD-CG1 4.37Å; K62-I74 WeakPolarHBondContact CE-O 3.45Å; K62-I74 PolarHBondContact NZ-O 3.42Å; K62-I74 WeakPolarHBondContact O-CG1 3.43Å; K62-I74 PolarHBondContact O-N 3.47Å; L64-I74 HydrophobicContact CD1-CG2 4.12Å; I72-I74 HydrophobicContact CD1-CG2 4.18Å; I72-I74 HydrophobicContact CG1-CG2 4.34Å; I74-T78 HydrophobicContact CD1-CG2 4.4Å; I74-A81 HydrophobicContact CB-CB 3.87Å; I74-A81 HydrophobicContact CD1-CB 3.48Å; I74-A81 VanDerWaalsContact CD1-CB 3.48Å; I74-A81 HydrophobicContact CG1-CB 4.26Å; I74-A81 HydrophobicContact CG2-CB 3.8Å; I74-V130 HydrophobicContact CB-CG2 4.41Å; I74-L132 HydrophobicContact CB-CD2 4.41Å; I74-L132 HydrophobicContact CG2-CD2 3.82Å
75	A	98.1	Very high	98.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.7	166.9	0	0	0	0	0	110.8	V29 V130 G131 I161	V29-A75 HydrophobicContact CG1-CB 4Å; A75-V130 CarbonylContact O-C 3.56Å; A75-V130 WeakPolarHBondContact O-CA 3.12Å; A75-V130 WeakPolarHBondContact O-CG2 3.28Å; A75-G131 PolarHBondContact N-O 2.88Å; A75-G131 PolarHBondContact O-N 2.92Å; A75-I161 HydrophobicContact CB-CD1 3.88Å; A75-I161 HydrophobicContact CB-CG1 3.98Å
76	G	97.5	Very high	98.1	Very high	24 Å²	24	31.7 Å²	31.7	25%	0.247	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.5	-140.7	-174.6	0	0	0	0	0	112.3	A28 T78 G129	A28-G76 WeakPolarHBondContact O-CA 3.42Å; G76-T78 PolarHBondContact O-N 3.38Å; G76-G129 WeakPolarHBondContact CA-O 3.41Å
77	L	97	Very high	98.1	Very high	80 Å²	80	32.7 Å²	32.7	42%	0.419	18%	0.176	S	C	.	.			trans	-72.3	115.6	-173.9	-61.5	-178.2	0	0	0	112.4	A79 D80 A81 G129	L77-A79 VanDerWaalsContact C-N 3.28Å; L77-A79 PolarHBondContact O-N 3.23Å; L77-D80 HydrophobicContact CB-CB 4.19Å; L77-D80 PolarHBondContact O-N 3.24Å; L77-A81 PolarHBondContact O-N 3.04Å; L77-G129 PolarHBondContact N-O 3.06Å
78	T	95.4	Very high	98.1	Very high	54 Å²	54	32.1 Å²	32.1	33%	0.331	17%	0.173	S	C	.	.	H	α-helix	trans	-62	-31.3	-180	-47.4	0	0	0	0	113.4	I74 G76 R82	I74-T78 HydrophobicContact CD1-CG2 4.4Å; G76-T78 PolarHBondContact O-N 3.38Å; T78-R82 WeakPolarHBondContact O-CG 3.41Å; T78-R82 PolarHBondContact O-N 3.42Å; T78-R82 VanDerWaalsContact O-N 3.07Å
79	A	97.2	Very high	98.1	Very high	57 Å²	57	33.7 Å²	33.7	47%	0.471	17%	0.174	S	C	.	.	H	α-helix	trans	-65.2	-47	177.5	0	0	0	0	0	111.7	L77 A81 R82 L83	L77-A79 VanDerWaalsContact C-N 3.28Å; L77-A79 PolarHBondContact O-N 3.23Å; A79-A81 VanDerWaalsContact C-N 3.33Å; A79-R82 PolarHBondContact O-N 3.09Å; A79-L83 PolarHBondContact O-N 3.15Å; A79-L83 VanDerWaalsContact O-N 3.1Å
80	D	98.2	Very high	98.1	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.027	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-40.1	176.8	-74.4	2.8	0	0	0	111.5	L77 R82 L83 L84 R126 Y128 G129 V130	L77-D80 HydrophobicContact CB-CB 4.19Å; L77-D80 PolarHBondContact O-N 3.24Å; D80-R82 VanDerWaalsContact C-N 3.34Å; D80-R82 PolarHBondContact O-N 3.38Å; D80-L83 PolarHBondContact O-N 2.87Å; D80-L84 PolarHBondContact O-N 2.88Å; D80-R126 IonicContact OD1-CZ 3.7Å; D80-R126 IonicContact OD1-NH1 2.76Å; D80-R126 PolarHBondContact OD1-NH1 2.82Å; D80-R126 IonicContact OD1-NH2 3.73Å; D80-R126 PolarHBondContact OD1-NH2 2.93Å; D80-R126 IonicContact OD2-CZ 3.36Å; D80-R126 IonicContact OD2-NH1 2.72Å; D80-R126 PolarHBondContact OD2-NH1 2.83Å; D80-R126 IonicContact OD2-NH2 3.5Å; D80-Y128 HydrophobicContact CB-CD1 3.95Å; D80-Y128 WeakPolarHBondContact OD2-CA 3.35Å; D80-G129 PolarHBondContact OD2-N 3.19Å; D80-V130 HydrophobicContact CB-CB 4.21Å; D80-V130 HydrophobicContact CB-CG1 3.86Å
81	A	97.8	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.8	-45.9	175.3	0	0	0	0	0	112.3	I74 L77 A79 L84 C85 V130	I74-A81 HydrophobicContact CB-CB 3.87Å; I74-A81 HydrophobicContact CD1-CB 3.48Å; I74-A81 VanDerWaalsContact CD1-CB 3.48Å; I74-A81 HydrophobicContact CG1-CB 4.26Å; I74-A81 HydrophobicContact CG2-CB 3.8Å; L77-A81 PolarHBondContact O-N 3.04Å; A79-A81 VanDerWaalsContact C-N 3.33Å; A81-L84 PolarHBondContact O-N 2.7Å; A81-C85 VanDerWaalsContact O-CB 3.25Å; A81-C85 WeakPolarHBondContact O-CB 3.36Å; A81-C85 PolarHBondContact O-N 3.49Å; A81-V130 HydrophobicContact CB-CG2 3.82Å
82	R	97.6	Very high	98.1	Very high	152 Å²	152	40 Å²	40	57%	0.574	20%	0.204	S	C	*	.	H	α-helix	trans	-66.5	-38.7	177	-72.4	-175.5	-63.2	167.7	1.2	112.4	T78 A79 D80 C85 N86	T78-R82 WeakPolarHBondContact O-CG 3.41Å; T78-R82 PolarHBondContact O-N 3.42Å; T78-R82 VanDerWaalsContact O-N 3.07Å; A79-R82 PolarHBondContact O-N 3.09Å; D80-R82 VanDerWaalsContact C-N 3.34Å; D80-R82 PolarHBondContact O-N 3.38Å; R82-C85 PolarHBondContact O-N 3.45Å; R82-N86 WeakPolarHBondContact O-CB 3.17Å; R82-N86 PolarHBondContact O-N 3.05Å
83	L	98.3	Very high	98.1	Very high	81 Å²	81	44.9 Å²	44.9	42%	0.424	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-48	176.5	-171.9	161.2	0	0	0	110.8	A79 D80 N86 F87 Y128	A79-L83 PolarHBondContact O-N 3.15Å; A79-L83 VanDerWaalsContact O-N 3.1Å; D80-L83 PolarHBondContact O-N 2.87Å; L83-N86 PolarHBondContact O-N 3.1Å; L83-F87 PolarHBondContact O-N 2.85Å; L83-Y128 HydrophobicContact CD1-CE1 4.27Å; L83-Y128 HydrophobicContact CD2-CE1 3.77Å; L83-Y128 WeakPolarHBondContact CD2-OH 3.42Å; L83-Y128 HydrophobicContact CG-CE1 4.48Å
84	L	98.5	Very high	98.1	Very high	3 Å²	3	48 Å²	48	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-39.6	177	-67.8	-177.1	0	0	0	111.9	D80 A81 N86 F87 M88 K115 T116 Y128 V130 L132	D80-L84 PolarHBondContact O-N 2.88Å; A81-L84 PolarHBondContact O-N 2.7Å; L84-N86 PolarHBondContact O-N 2.82Å; L84-F87 WeakPolarHBondContact O-CB 3.05Å; L84-F87 PolarHBondContact O-N 2.79Å; L84-M88 WeakPolarHBondContact O-CG 3.47Å; L84-M88 PolarHBondContact O-N 2.93Å; L84-K115 HydrophobicContact CD2-CD 3.99Å; L84-T116 HydrophobicContact CD1-CG2 4.06Å; L84-T116 HydrophobicContact CD2-CG2 3.85Å; L84-Y128 HydrophobicContact CD1-CD1 4.28Å; L84-Y128 HydrophobicContact CD1-CG 4.38Å; L84-Y128 HydrophobicContact CD2-CD1 4.23Å; L84-Y128 HydrophobicContact CD2-CE1 4.05Å; L84-Y128 HydrophobicContact CD2-CE2 4.47Å; L84-Y128 HydrophobicContact CG-CD1 4.12Å; L84-Y128 HydrophobicContact CG-CE1 4.27Å; L84-V130 HydrophobicContact CD1-CG1 3.65Å; L84-L132 HydrophobicContact CB-CD1 4.41Å; L84-L132 HydrophobicContact CD1-CD1 4.18Å
85	C	98.5	Very high	98.1	Very high	2 Å²	2	48 Å²	48	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-46.5	174.9	-174.6	0	0	0	0	112.1	L64 I72 A81 R82 F87 M88 R89	L64-C85 HydrophobicContact CD1-CB 4.14Å; I72-C85 HydrophobicContact CD1-CB 3.83Å; A81-C85 VanDerWaalsContact O-CB 3.25Å; A81-C85 WeakPolarHBondContact O-CB 3.36Å; A81-C85 PolarHBondContact O-N 3.49Å; R82-C85 PolarHBondContact O-N 3.45Å; C85-F87 PolarHBondContact O-N 3.36Å; C85-M88 PolarHBondContact O-N 3.47Å; C85-R89 WeakPolarHBondContact O-CG 3.4Å; C85-R89 PolarHBondContact O-N 2.87Å
86	N	98.6	Very high	98.1	Very high	95 Å²	95	51.3 Å²	51.3	51%	0.508	26%	0.259	S	S	.	.	H	α-helix	trans	-65.1	-38.8	176.8	-72.4	-11.2	0	0	0	112.2	R82 L83 L84 R89 Q90	R82-N86 WeakPolarHBondContact O-CB 3.17Å; R82-N86 PolarHBondContact O-N 3.05Å; L83-N86 PolarHBondContact O-N 3.1Å; L84-N86 PolarHBondContact O-N 2.82Å; N86-R89 PolarHBondContact O-N 2.81Å; N86-Q90 PolarHBondContact O-N 3.49Å
87	F	98.7	Very high	98.1	Very high	32 Å²	32	58.9 Å²	58.9	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-46.8	172.1	168.9	-102.5	0	0	0	111.6	L83 L84 C85 R89 Q90 E91 L111 I112 K115	L83-F87 PolarHBondContact O-N 2.85Å; L84-F87 WeakPolarHBondContact O-CB 3.05Å; L84-F87 PolarHBondContact O-N 2.79Å; C85-F87 PolarHBondContact O-N 3.36Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 2.88Å; F87-Q90 WeakPolarHBondContact O-CB 3.32Å; F87-Q90 PolarHBondContact O-N 3.13Å; F87-Q90 VanDerWaalsContact O-N 3.16Å; F87-E91 HydrophobicContact CD1-CG 4.43Å; F87-E91 HydrophobicContact CD2-CG 4.21Å; F87-E91 HydrophobicContact CE1-CG 3.95Å; F87-E91 HydrophobicContact CE2-CG 3.72Å; F87-E91 WeakPolarHBondContact CE2-OE1 3.34Å; F87-E91 HydrophobicContact CZ-CG 3.58Å; F87-E91 WeakPolarHBondContact O-CG 3.24Å; F87-E91 PolarHBondContact O-N 2.98Å; F87-L111 HydrophobicContact CE1-CB 4.39Å; F87-L111 HydrophobicContact CZ-CB 4.3Å; F87-I112 HydrophobicContact CE1-CG1 4.42Å; F87-K115 HydrophobicContact CB-CD 4.11Å; F87-K115 HydrophobicContact CD1-CD 3.39Å; F87-K115 HydrophobicContact CD2-CD 3.62Å; F87-K115 VanDerWaalsContact CD2-NZ 3.25Å; F87-K115 HydrophobicContact CE1-CB 4.14Å; F87-K115 HydrophobicContact CE1-CD 3.58Å; F87-K115 HydrophobicContact CE1-CG 4.48Å; F87-K115 HydrophobicContact CE2-CD 3.78Å; F87-K115 HydrophobicContact CG-CD 3.39Å; F87-K115 VanDerWaalsContact CG-CE 3.5Å; F87-K115 HydrophobicContact CZ-CB 4.09Å; F87-K115 HydrophobicContact CZ-CD 3.76Å; F87-K115 HydrophobicContact CZ-CG 4.42Å
88	M	98.8	Very high	98.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-41.3	178.5	-67.4	170.7	70.5	0	0	112.1	V66 I70 I72 L84 C85 Q90 E91 C92 L108 I112 L132 I134	V66-M88 HydrophobicContact CG1-CB 3.62Å; V66-M88 HydrophobicContact CG1-CE 4.35Å; V66-M88 HydrophobicContact CG2-CB 4.39Å; V66-M88 HydrophobicContact CG2-CE 4.09Å; V66-M88 HydrophobicContact CG2-SD 4.48Å; I70-M88 HydrophobicContact CG2-CE 4.44Å; I72-M88 HydrophobicContact CD1-SD 4.25Å; I72-M88 HydrophobicContact CG2-CE 3.47Å; I72-M88 VanDerWaalsContact CG2-CE 3.47Å; I72-M88 HydrophobicContact CG2-SD 3.99Å; L84-M88 WeakPolarHBondContact O-CG 3.47Å; L84-M88 PolarHBondContact O-N 2.93Å; C85-M88 PolarHBondContact O-N 3.47Å; M88-Q90 VanDerWaalsContact C-N 3.32Å; M88-Q90 PolarHBondContact O-N 2.86Å; M88-E91 PolarHBondContact O-N 2.96Å; M88-C92 PolarHBondContact O-N 3.22Å; M88-C92 PolarHBondContact O-SG 3.05Å; M88-C92 VanDerWaalsContact O-SG 3.35Å; M88-L108 HydrophobicContact CB-CD1 4.2Å; M88-L108 HydrophobicContact CB-CD2 4.38Å; M88-L108 HydrophobicContact CE-CD2 3.7Å; M88-L108 HydrophobicContact CE-CG 4.26Å; M88-L108 HydrophobicContact CG-CD1 4.18Å; M88-I112 HydrophobicContact CE-CD1 3.71Å; M88-I112 HydrophobicContact CG-CD1 3.73Å; M88-I112 HydrophobicContact CG-CG1 4Å; M88-I112 HydrophobicContact SD-CD1 3.56Å; M88-I112 VanDerWaalsContact SD-CD1 3.56Å; M88-I112 HydrophobicContact SD-CG1 4.38Å; M88-L132 HydrophobicContact SD-CD1 4.15Å; M88-I134 HydrophobicContact CE-CD1 4.21Å; M88-I134 HydrophobicContact CE-CG1 4.34Å; M88-I134 HydrophobicContact CE-CG2 4.28Å
89	R	98.8	Very high	98.3	Very high	95 Å²	95	62.6 Å²	62.6	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-44.6	173.9	-74.9	167.7	176.4	176.4	-6.1	111.5	H65 V66 C85 N86 F87 C92 L93	H65-R89 PolarHBondContact O-NE 2.89Å; H65-R89 PolarHBondContact O-NH2 3.18Å; V66-R89 HydrophobicContact CG1-CG 4.28Å; V66-R89 WeakPolarHBondContact O-CG 3.28Å; C85-R89 WeakPolarHBondContact O-CG 3.4Å; C85-R89 PolarHBondContact O-N 2.87Å; N86-R89 PolarHBondContact O-N 2.81Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 2.88Å; R89-C92 PolarHBondContact O-N 3.02Å; R89-L93 WeakPolarHBondContact O-CB 3.33Å; R89-L93 VanDerWaalsContact O-CG 3.26Å; R89-L93 WeakPolarHBondContact O-CG 3.41Å; R89-L93 PolarHBondContact O-N 3.4Å
90	Q	98.7	Very high	98.3	Very high	100 Å²	100	67.2 Å²	67.2	47%	0.467	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-50	177.9	-171.2	63.2	50.6	0	0	111.4	N86 F87 M88 C92 L93 D94	N86-Q90 PolarHBondContact O-N 3.49Å; F87-Q90 WeakPolarHBondContact O-CB 3.32Å; F87-Q90 PolarHBondContact O-N 3.13Å; F87-Q90 VanDerWaalsContact O-N 3.16Å; M88-Q90 VanDerWaalsContact C-N 3.32Å; M88-Q90 PolarHBondContact O-N 2.86Å; Q90-C92 VanDerWaalsContact C-N 3.3Å; Q90-C92 PolarHBondContact O-N 2.86Å; Q90-L93 PolarHBondContact O-N 3.22Å; Q90-D94 PolarHBondContact NE2-OD1 2.9Å; Q90-D94 WeakPolarHBondContact O-CB 3.41Å; Q90-D94 PolarHBondContact O-N 2.97Å
91	E	98.6	Very high	98.3	Very high	50 Å²	50	72.3 Å²	72.3	23%	0.234	34%	0.337	C	S	.	.	H	α-helix	trans	-61.8	-37.2	179.7	-63.1	-64.5	145.9	0	0	112.4	F87 M88 S95 L103 L108 L111	F87-E91 HydrophobicContact CD1-CG 4.43Å; F87-E91 HydrophobicContact CD2-CG 4.21Å; F87-E91 HydrophobicContact CE1-CG 3.95Å; F87-E91 HydrophobicContact CE2-CG 3.72Å; F87-E91 WeakPolarHBondContact CE2-OE1 3.34Å; F87-E91 HydrophobicContact CZ-CG 3.58Å; F87-E91 WeakPolarHBondContact O-CG 3.24Å; F87-E91 PolarHBondContact O-N 2.98Å; M88-E91 PolarHBondContact O-N 2.96Å; E91-S95 WeakPolarHBondContact O-CB 3.18Å; E91-S95 PolarHBondContact O-N 2.96Å; E91-L103 HydrophobicContact CB-CD2 4.18Å; E91-L108 HydrophobicContact CB-CD1 3.98Å; E91-L111 HydrophobicContact CB-CD1 4.3Å; E91-L111 HydrophobicContact CG-CD1 4.24Å; E91-L111 WeakPolarHBondContact OE2-CD1 3.43Å
92	C	98.6	Very high	98.3	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.007	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-46.1	174	-72.5	0	0	0	0	112.1	D67 M88 R89 Q90 S95 R96	D67-C92 HydrophobicContact CB-CB 3.97Å; M88-C92 PolarHBondContact O-N 3.22Å; M88-C92 PolarHBondContact O-SG 3.05Å; M88-C92 VanDerWaalsContact O-SG 3.35Å; R89-C92 PolarHBondContact O-N 3.02Å; Q90-C92 VanDerWaalsContact C-N 3.3Å; Q90-C92 PolarHBondContact O-N 2.86Å; C92-S95 PolarHBondContact O-N 2.79Å; C92-R96 WeakPolarHBondContact O-CG 3.41Å; C92-R96 PolarHBondContact O-N 3.08Å
93	L	98.5	Very high	98.3	Very high	103 Å²	103	68.3 Å²	68.3	54%	0.539	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-42.5	176.9	-72.2	172.5	0	0	0	111.5	R89 Q90 S95 R96 F97	R89-L93 WeakPolarHBondContact O-CB 3.33Å; R89-L93 VanDerWaalsContact O-CG 3.26Å; R89-L93 WeakPolarHBondContact O-CG 3.41Å; R89-L93 PolarHBondContact O-N 3.4Å; Q90-L93 PolarHBondContact O-N 3.22Å; L93-S95 PolarHBondContact O-N 2.81Å; L93-R96 PolarHBondContact O-N 3.15Å; L93-F97 WeakPolarHBondContact O-CB 3.29Å; L93-F97 PolarHBondContact O-N 3.44Å
94	D	98.6	Very high	98.3	Very high	65 Å²	65	65.9 Å²	65.9	35%	0.348	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-42.3	178.2	-68.8	-15.5	0	0	0	111.2	Q90 R96 F97 V98	Q90-D94 PolarHBondContact NE2-OD1 2.9Å; Q90-D94 WeakPolarHBondContact O-CB 3.41Å; Q90-D94 PolarHBondContact O-N 2.97Å; D94-R96 PolarHBondContact O-N 3.05Å; D94-F97 PolarHBondContact O-N 3.2Å; D94-V98 WeakPolarHBondContact O-CB 3.36Å; D94-V98 WeakPolarHBondContact O-CG2 3.31Å; D94-V98 PolarHBondContact O-N 3.31Å
95	S	98.4	Very high	98.4	Very high	7 Å²	7	65.7 Å²	65.7	5%	0.049	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-44.3	174.6	-177.4	0	0	0	0	112.2	E91 C92 L93 F97 F99 R101	E91-S95 WeakPolarHBondContact O-CB 3.18Å; E91-S95 PolarHBondContact O-N 2.96Å; C92-S95 PolarHBondContact O-N 2.79Å; L93-S95 PolarHBondContact O-N 2.81Å; S95-F97 VanDerWaalsContact C-N 3.34Å; S95-F99 WeakPolarHBondContact O-CB 3.37Å; S95-F99 PolarHBondContact O-N 3.07Å; S95-R101 PolarHBondContact OG-O 3.13Å
96	R	97.6	Very high	98.3	Very high	72 Å²	72	68.6 Å²	68.6	27%	0.272	34%	0.339	S	S	.	.	H	α-helix	trans	-64.8	-40.1	176.6	-72	-178.5	-176.3	-85.3	-0.1	111.4	D67 H69 C92 L93 D94 D100	D67-R96 VanDerWaalsContact CG-NH2 3.3Å; D67-R96 IonicContact OD1-CZ 3.85Å; D67-R96 IonicContact OD1-NE 2.75Å; D67-R96 PolarHBondContact OD1-NE 3.01Å; D67-R96 VanDerWaalsContact OD1-NE 3.12Å; D67-R96 IonicContact OD1-NH2 2.86Å; D67-R96 PolarHBondContact OD1-NH2 2.92Å; D67-R96 VanDerWaalsContact OD1-NH2 3.1Å; D67-R96 IonicContact OD2-CZ 3.56Å; D67-R96 IonicContact OD2-NE 3.54Å; D67-R96 PolarHBondContact OD2-NE 2.98Å; D67-R96 IonicContact OD2-NH2 2.7Å; D67-R96 PolarHBondContact OD2-NH2 2.75Å; H69-R96 PolarHBondContact ND1-NH2 3.5Å; C92-R96 WeakPolarHBondContact O-CG 3.41Å; C92-R96 PolarHBondContact O-N 3.08Å; L93-R96 PolarHBondContact O-N 3.15Å; D94-R96 PolarHBondContact O-N 3.05Å; R96-D100 WeakPolarHBondContact O-CA 3.43Å; R96-D100 PolarHBondContact O-N 2.94Å
97	F	98.3	Very high	98.3	Very high	182 Å²	182	69.7 Å²	69.7	80%	0.798	34%	0.336	S	S	*	.	H	α-helix	trans	-65.5	-44.3	178.4	-178.5	-99.3	0	0	0	112.6	L93 D94 S95	L93-F97 WeakPolarHBondContact O-CB 3.29Å; L93-F97 PolarHBondContact O-N 3.44Å; D94-F97 PolarHBondContact O-N 3.2Å; S95-F97 VanDerWaalsContact C-N 3.34Å
98	V	98.6	Very high	98.3	Very high	95 Å²	95	68.1 Å²	68.1	58%	0.576	33%	0.329	S	S	*	.	H	α-helix	trans	-82.5	-39.1	-174.8	176	0	0	0	0	112.7	D94	D94-V98 WeakPolarHBondContact O-CB 3.36Å; D94-V98 WeakPolarHBondContact O-CG2 3.31Å; D94-V98 PolarHBondContact O-N 3.31Å
99	F	98.1	Very high	98.3	Very high	118 Å²	118	68.1 Å²	68.1	52%	0.518	33%	0.329	S	S	.	.	H	α-helix	trans	-114.7	-1.8	-170.7	-57.5	-67.4	0	0	0	114.3	S95 R101	S95-F99 WeakPolarHBondContact O-CB 3.37Å; S95-F99 PolarHBondContact O-N 3.07Å; F99-R101 HydrophobicContact CB-CG 3.78Å; F99-R101 PolarHBondContact O-N 3.01Å; F99-R101 VanDerWaalsContact O-N 3.12Å
100	D	97.6	Very high	98.3	Very high	153 Å²	153	66 Å²	66	82%	0.818	33%	0.329	S	S	*	.	S	Bend	trans	50.1	35.4	-175.5	-160.7	31.1	0	0	0	113.4	R96	R96-D100 WeakPolarHBondContact O-CA 3.43Å; R96-D100 PolarHBondContact O-N 2.94Å
101	R	97.1	Very high	98.3	Very high	113 Å²	113	64 Å²	64	43%	0.426	32%	0.321	S	S	.	.	S	Bend	trans	-147.4	152.4	179	67.7	179.5	178.7	148.2	-7.3	112.9	S95 F99	S95-R101 PolarHBondContact OG-O 3.13Å; F99-R101 HydrophobicContact CB-CG 3.78Å; F99-R101 PolarHBondContact O-N 3.01Å; F99-R101 VanDerWaalsContact O-N 3.12Å
102	P	97.8	Very high	98.3	Very high	61 Å²	61	61.7 Å²	61.7	40%	0.396	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-57.9	142.8	173.8	-19.8	30.9	0	0	0	112.2	P104	P102-P104 WeakPolarHBondContact O-CD 3.43Å
103	L	98.4	Very high	98.3	Very high	6 Å²	6	62 Å²	62	3%	0.031	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-73.1	124.3	176.8	-177	62	0	0	0	110.3	H69 E91 R107 L108 L111	H69-L103 PolarHBondContact NE2-O 2.95Å; E91-L103 HydrophobicContact CB-CD2 4.18Å; L103-R107 HydrophobicContact CD1-CB 4.24Å; L103-R107 HydrophobicContact CD1-CG 4.08Å; L103-L108 HydrophobicContact CD2-CB 3.75Å; L103-L108 HydrophobicContact CD2-CD1 3.83Å; L103-L108 HydrophobicContact CD2-CG 4.26Å; L103-L108 HydrophobicContact CG-CB 4.23Å; L103-L111 HydrophobicContact CD2-CD1 4.4Å
104	P	98.5	Very high	98.3	Very high	30 Å²	30	60.9 Å²	60.9	20%	0.195	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-58	139.2	175.3	-26.8	36	0	0	0	112.2	P102 S106 R107 L108	P102-P104 WeakPolarHBondContact O-CD 3.43Å; P104-S106 VanDerWaalsContact C-N 3.34Å; P104-S106 PolarHBondContact O-N 2.99Å; P104-R107 HydrophobicContact CB-CB 4.48Å; P104-R107 WeakPolarHBondContact O-CB 3.44Å; P104-R107 PolarHBondContact O-N 3.42Å; P104-R107 VanDerWaalsContact O-N 3.09Å; P104-L108 PolarHBondContact O-N 2.96Å; P104-L108 VanDerWaalsContact O-N 3.16Å
105	V	98.6	Very high	98.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-42.6	-168.8	-176	0	0	0	0	111.1	I70 R107 L108 V109 I134 D138 H143 F145	I70-V105 HydrophobicContact CD1-CG2 4.44Å; I70-V105 HydrophobicContact CG1-CG2 4.29Å; V105-R107 VanDerWaalsContact C-N 3.28Å; V105-R107 PolarHBondContact O-N 3.04Å; V105-L108 PolarHBondContact O-N 3.35Å; V105-V109 HydrophobicContact CG1-CG2 4.37Å; V105-V109 VanDerWaalsContact O-CG2 3.31Å; V105-V109 WeakPolarHBondContact O-CG2 3.42Å; V105-V109 PolarHBondContact O-N 2.84Å; V105-I134 HydrophobicContact CG1-CG2 4.27Å; V105-D138 HydrophobicContact CG2-CB 4.48Å; V105-D138 PolarHBondContact N-OD2 3.46Å; V105-H143 HydrophobicContact CB-CB 4.26Å; V105-H143 HydrophobicContact CG1-CB 4.07Å; V105-H143 HydrophobicContact CG2-CB 4.45Å; V105-F145 HydrophobicContact CB-CE2 4.42Å; V105-F145 HydrophobicContact CG1-CD2 3.77Å; V105-F145 HydrophobicContact CG1-CE2 3.89Å
106	S	98.3	Very high	98.2	Very high	63 Å²	63	60.7 Å²	60.7	44%	0.441	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-35.2	178.3	59.2	0	0	0	0	113.1	P104 S110	P104-S106 VanDerWaalsContact C-N 3.34Å; P104-S106 PolarHBondContact O-N 2.99Å; S106-S110 PolarHBondContact O-N 3.43Å; S106-S110 PolarHBondContact O-OG 3.31Å
107	R	98.4	Very high	98.3	Very high	117 Å²	117	60.3 Å²	60.3	44%	0.442	31%	0.312	S	S	.	.	H	α-helix	trans	-70.3	-44.4	176.6	-172.8	178.3	-66.5	176.8	-1.3	111	L103 P104 V105 V109 S110 L111	L103-R107 HydrophobicContact CD1-CB 4.24Å; L103-R107 HydrophobicContact CD1-CG 4.08Å; P104-R107 HydrophobicContact CB-CB 4.48Å; P104-R107 WeakPolarHBondContact O-CB 3.44Å; P104-R107 PolarHBondContact O-N 3.42Å; P104-R107 VanDerWaalsContact O-N 3.09Å; V105-R107 VanDerWaalsContact C-N 3.28Å; V105-R107 PolarHBondContact O-N 3.04Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 2.96Å; R107-S110 WeakPolarHBondContact O-CB 3.42Å; R107-S110 PolarHBondContact O-N 3.48Å; R107-L111 WeakPolarHBondContact O-CG 3.33Å; R107-L111 PolarHBondContact O-N 2.82Å
108	L	98.6	Very high	98.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-45	175	179.6	59.1	0	0	0	111.5	I70 M88 E91 L103 P104 V105 S110 L111 I112	I70-L108 HydrophobicContact CD1-CD2 3.45Å; I70-L108 VanDerWaalsContact CD1-CD2 3.45Å; I70-L108 HydrophobicContact CG2-CD2 4.29Å; M88-L108 HydrophobicContact CB-CD1 4.2Å; M88-L108 HydrophobicContact CB-CD2 4.38Å; M88-L108 HydrophobicContact CE-CD2 3.7Å; M88-L108 HydrophobicContact CE-CG 4.26Å; M88-L108 HydrophobicContact CG-CD1 4.18Å; E91-L108 HydrophobicContact CB-CD1 3.98Å; L103-L108 HydrophobicContact CD2-CB 3.75Å; L103-L108 HydrophobicContact CD2-CD1 3.83Å; L103-L108 HydrophobicContact CD2-CG 4.26Å; L103-L108 HydrophobicContact CG-CB 4.23Å; P104-L108 PolarHBondContact O-N 2.96Å; P104-L108 VanDerWaalsContact O-N 3.16Å; V105-L108 PolarHBondContact O-N 3.35Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 3.37Å; L108-L111 WeakPolarHBondContact O-CB 3.4Å; L108-L111 PolarHBondContact O-N 2.82Å; L108-L111 VanDerWaalsContact O-N 3.15Å; L108-I112 HydrophobicContact CG-CD1 4.43Å; L108-I112 WeakPolarHBondContact O-CG1 3.41Å; L108-I112 PolarHBondContact O-N 3.33Å
109	V	98.5	Very high	98.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-39	178	175.9	0	0	0	0	111.6	V105 R107 L111 I112 G113 I134 F145 Y153	V105-V109 HydrophobicContact CG1-CG2 4.37Å; V105-V109 VanDerWaalsContact O-CG2 3.31Å; V105-V109 WeakPolarHBondContact O-CG2 3.42Å; V105-V109 PolarHBondContact O-N 2.84Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 2.96Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.47Å; V109-I112 WeakPolarHBondContact O-CB 3.35Å; V109-I112 PolarHBondContact O-N 3.42Å; V109-G113 PolarHBondContact O-N 2.92Å; V109-I134 HydrophobicContact CG2-CD1 3.77Å; V109-F145 HydrophobicContact CB-CD1 4.36Å; V109-F145 HydrophobicContact CB-CG 4.44Å; V109-F145 HydrophobicContact CG1-CB 4.39Å; V109-F145 HydrophobicContact CG1-CD1 3.94Å; V109-F145 HydrophobicContact CG1-CG 4.28Å; V109-F145 HydrophobicContact CG2-CB 3.84Å; V109-F145 HydrophobicContact CG2-CD1 4.11Å; V109-F145 HydrophobicContact CG2-CD2 3.93Å; V109-F145 HydrophobicContact CG2-CG 3.7Å; V109-Y153 HydrophobicContact CG1-CD1 4Å; V109-Y153 HydrophobicContact CG1-CD2 3.45Å; V109-Y153 VanDerWaalsContact CG1-CD2 3.45Å; V109-Y153 HydrophobicContact CG1-CE2 4.1Å; V109-Y153 HydrophobicContact CG1-CG 3.39Å
110	S	98.5	Very high	98.3	Very high	51 Å²	51	45.5 Å²	45.5	36%	0.357	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-39.8	174.4	-59.8	0	0	0	0	112.3	S106 R107 L108 G113 S114 Y153	S106-S110 PolarHBondContact O-N 3.43Å; S106-S110 PolarHBondContact O-OG 3.31Å; R107-S110 WeakPolarHBondContact O-CB 3.42Å; R107-S110 PolarHBondContact O-N 3.48Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 3.37Å; S110-G113 PolarHBondContact O-N 2.91Å; S110-S114 PolarHBondContact O-N 2.94Å; S110-Y153 PolarHBondContact OG-OH 3.47Å
111	L	98.6	Very high	98.2	Very high	57 Å²	57	44.7 Å²	44.7	30%	0.298	23%	0.234	S	C	.	.	H	α-helix	trans	-65.1	-38.8	174.8	-67.7	165.9	0	0	0	111.8	F87 E91 L103 R107 L108 V109 S114 K115	F87-L111 HydrophobicContact CE1-CB 4.39Å; F87-L111 HydrophobicContact CZ-CB 4.3Å; E91-L111 HydrophobicContact CB-CD1 4.3Å; E91-L111 HydrophobicContact CG-CD1 4.24Å; E91-L111 WeakPolarHBondContact OE2-CD1 3.43Å; L103-L111 HydrophobicContact CD2-CD1 4.4Å; R107-L111 WeakPolarHBondContact O-CG 3.33Å; R107-L111 PolarHBondContact O-N 2.82Å; L108-L111 WeakPolarHBondContact O-CB 3.4Å; L108-L111 PolarHBondContact O-N 2.82Å; L108-L111 VanDerWaalsContact O-N 3.15Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.47Å; L111-S114 PolarHBondContact O-N 3.36Å; L111-K115 WeakPolarHBondContact O-CB 3.5Å; L111-K115 PolarHBondContact O-N 2.95Å
112	I	98.4	Very high	98.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-47	173.3	-62.7	166.9	0	0	0	110.2	F87 M88 L108 V109 S114 K115 T116 I134 T147	F87-I112 HydrophobicContact CE1-CG1 4.42Å; M88-I112 HydrophobicContact CE-CD1 3.71Å; M88-I112 HydrophobicContact CG-CD1 3.73Å; M88-I112 HydrophobicContact CG-CG1 4Å; M88-I112 HydrophobicContact SD-CD1 3.56Å; M88-I112 VanDerWaalsContact SD-CD1 3.56Å; M88-I112 HydrophobicContact SD-CG1 4.38Å; L108-I112 HydrophobicContact CG-CD1 4.43Å; L108-I112 WeakPolarHBondContact O-CG1 3.41Å; L108-I112 PolarHBondContact O-N 3.33Å; V109-I112 WeakPolarHBondContact O-CB 3.35Å; V109-I112 PolarHBondContact O-N 3.42Å; I112-S114 PolarHBondContact O-N 3.31Å; I112-K115 PolarHBondContact O-N 3.17Å; I112-T116 HydrophobicContact CG2-CG2 4.01Å; I112-T116 WeakPolarHBondContact O-CB 3.45Å; I112-T116 VanDerWaalsContact O-CG2 3.26Å; I112-T116 WeakPolarHBondContact O-CG2 3.24Å; I112-T116 PolarHBondContact O-N 3.32Å; I112-T116 PolarHBondContact O-OG1 3.45Å; I112-I134 HydrophobicContact CD1-CD1 3.63Å; I112-T147 HydrophobicContact CG2-CG2 4.23Å
113	G	98.2	Very high	98.2	Very high	8 Å²	8	51.9 Å²	51.9	8%	0.082	25%	0.254	C	S	.	.	H	α-helix	trans	-55.4	-50.1	175.7	0	0	0	0	0	111.8	V109 S110 K115 T116 Q117	V109-G113 PolarHBondContact O-N 2.92Å; S110-G113 PolarHBondContact O-N 2.91Å; G113-K115 PolarHBondContact O-N 2.95Å; G113-T116 PolarHBondContact O-N 2.93Å; G113-T116 PolarHBondContact O-OG1 2.81Å; G113-Q117 VanDerWaalsContact O-CB 3.31Å; G113-Q117 WeakPolarHBondContact O-CB 3.5Å; G113-Q117 PolarHBondContact O-N 3.29Å
114	S	98.4	Very high	98	Very high	79 Å²	79	54.8 Å²	54.8	55%	0.552	29%	0.285	S	S	*	.	H	α-helix	trans	-58.9	-48.5	177.3	-176.1	0	0	0	0	112.5	S110 L111 I112 T116 Q117	S110-S114 PolarHBondContact O-N 2.94Å; L111-S114 PolarHBondContact O-N 3.36Å; I112-S114 PolarHBondContact O-N 3.31Å; S114-T116 PolarHBondContact O-N 2.9Å; S114-Q117 PolarHBondContact O-N 3.36Å
115	K	98.3	Very high	98	Very high	58 Å²	58	59.1 Å²	59.1	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-45.7	178.8	-178.5	-174.5	-169.7	73.7	0	112.3	L84 F87 L111 I112 G113 Q117 P119	L84-K115 HydrophobicContact CD2-CD 3.99Å; F87-K115 HydrophobicContact CB-CD 4.11Å; F87-K115 HydrophobicContact CD1-CD 3.39Å; F87-K115 HydrophobicContact CD2-CD 3.62Å; F87-K115 VanDerWaalsContact CD2-NZ 3.25Å; F87-K115 HydrophobicContact CE1-CB 4.14Å; F87-K115 HydrophobicContact CE1-CD 3.58Å; F87-K115 HydrophobicContact CE1-CG 4.48Å; F87-K115 HydrophobicContact CE2-CD 3.78Å; F87-K115 HydrophobicContact CG-CD 3.39Å; F87-K115 VanDerWaalsContact CG-CE 3.5Å; F87-K115 HydrophobicContact CZ-CB 4.09Å; F87-K115 HydrophobicContact CZ-CD 3.76Å; F87-K115 HydrophobicContact CZ-CG 4.42Å; L111-K115 WeakPolarHBondContact O-CB 3.5Å; L111-K115 PolarHBondContact O-N 2.95Å; I112-K115 PolarHBondContact O-N 3.17Å; G113-K115 PolarHBondContact O-N 2.95Å; K115-Q117 VanDerWaalsContact C-N 3.32Å; K115-P119 WeakPolarHBondContact O-CD 3.35Å
116	T	98.4	Very high	97.9	Very high	10 Å²	10	65.1 Å²	65.1	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-77.4	-20.1	-173.5	55.8	0	0	0	0	112.4	L84 I112 G113 S114 P119 T120 Y128 A151	L84-T116 HydrophobicContact CD1-CG2 4.06Å; L84-T116 HydrophobicContact CD2-CG2 3.85Å; I112-T116 HydrophobicContact CG2-CG2 4.01Å; I112-T116 WeakPolarHBondContact O-CB 3.45Å; I112-T116 VanDerWaalsContact O-CG2 3.26Å; I112-T116 WeakPolarHBondContact O-CG2 3.24Å; I112-T116 PolarHBondContact O-N 3.32Å; I112-T116 PolarHBondContact O-OG1 3.45Å; G113-T116 PolarHBondContact O-N 2.93Å; G113-T116 PolarHBondContact O-OG1 2.81Å; S114-T116 PolarHBondContact O-N 2.9Å; T116-P119 VanDerWaalsContact O-CD 3.24Å; T116-P119 WeakPolarHBondContact O-CD 3.49Å; T116-P119 VanDerWaalsContact O-CG 3.31Å; T116-P119 WeakPolarHBondContact O-CG 3.5Å; T116-T120 WeakPolarHBondContact O-CG2 3.24Å; T116-Y128 HydrophobicContact CG2-CD2 3.71Å; T116-Y128 HydrophobicContact CG2-CE2 4.12Å; T116-Y128 HydrophobicContact CG2-CG 4.26Å; T116-A151 VanDerWaalsContact OG1-CB 3.3Å; T116-A151 WeakPolarHBondContact OG1-CB 3.39Å
117	Q	98.5	Very high	97.9	Very high	65 Å²	65	62.3 Å²	62.3	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-75.2	-31.2	175.5	-176.2	58.6	1.9	0	0	113.5	G113 S114 K115 T120 A151	G113-Q117 VanDerWaalsContact O-CB 3.31Å; G113-Q117 WeakPolarHBondContact O-CB 3.5Å; G113-Q117 PolarHBondContact O-N 3.29Å; S114-Q117 PolarHBondContact O-N 3.36Å; K115-Q117 VanDerWaalsContact C-N 3.32Å; Q117-T120 PolarHBondContact NE2-OG1 3.26Å; Q117-T120 PolarHBondContact O-N 3.47Å; Q117-T120 PolarHBondContact O-OG1 3.34Å; Q117-T120 PolarHBondContact OE1-OG1 3.36Å; Q117-A151 HydrophobicContact CB-CB 3.72Å
118	I	98.5	Very high	97.9	Very high	78 Å²	78	57.8 Å²	57.8	40%	0.4	28%	0.284	S	S	.	.	H	α-helix	trans	-53.4	-50	179.1	-64.8	165.8	0	0	0	113	T120 Q121	I118-T120 PolarHBondContact O-N 3.28Å; I118-Q121 PolarHBondContact O-N 3.47Å
119	P	98	Very high	97.9	Very high	2 Å²	2	58 Å²	58	1%	0.013	29%	0.285	C	S	.	.	H	α-helix	trans	-75	-7	179.6	32.4	-39.9	0	0	0	114.6	K115 T116 Q121 R125 R126 Y128	K115-P119 WeakPolarHBondContact O-CD 3.35Å; T116-P119 VanDerWaalsContact O-CD 3.24Å; T116-P119 WeakPolarHBondContact O-CD 3.49Å; T116-P119 VanDerWaalsContact O-CG 3.31Å; T116-P119 WeakPolarHBondContact O-CG 3.5Å; P119-Q121 VanDerWaalsContact C-N 3.3Å; P119-R125 HydrophobicContact CB-CB 3.75Å; P119-R125 HydrophobicContact CB-CG 4.49Å; P119-R126 WeakPolarHBondContact CB-O 3.48Å; P119-Y128 HydrophobicContact CG-CD2 3.88Å; P119-Y128 HydrophobicContact CG-CE2 3.67Å
120	T	97.9	Very high	97.9	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-82.8	-10	174.3	72	0	0	0	0	112.6	V10 I22 T116 Q117 I118 P127	V10-T120 WeakPolarHBondContact CG2-O 3.43Å; I22-T120 HydrophobicContact CD1-CG2 4.45Å; T116-T120 WeakPolarHBondContact O-CG2 3.24Å; Q117-T120 PolarHBondContact NE2-OG1 3.26Å; Q117-T120 PolarHBondContact O-N 3.47Å; Q117-T120 PolarHBondContact O-OG1 3.34Å; Q117-T120 PolarHBondContact OE1-OG1 3.36Å; I118-T120 PolarHBondContact O-N 3.28Å; T120-P127 HydrophobicContact CG2-CB 4.3Å; T120-P127 HydrophobicContact CG2-CG 4.39Å
121	Q	97.4	Very high	97.9	Very high	136 Å²	136	55.7 Å²	55.7	64%	0.636	27%	0.27	S	S	*	.	H	α-helix	trans	-119.2	-8.4	-176.5	-66.6	-175.8	-17	0	0	114.1	I118 P119	I118-Q121 PolarHBondContact O-N 3.47Å; P119-Q121 VanDerWaalsContact C-N 3.3Å
122	R	97	Very high	97.9	Very high	157 Å²	157	53 Å²	53	59%	0.592	26%	0.256	S	S	*	.	S	Bend	trans	-106.1	130.6	-175.7	-68.1	-173.3	177	-151.9	1.4	111.7	V10 R125	V10-R122 WeakPolarHBondContact CG1-O 3.4Å; R122-R125 HydrophobicContact CB-CB 4.4Å; R122-R125 HydrophobicContact CB-CG 3.89Å; R122-R125 WeakPolarHBondContact O-CB 3.45Å; R122-R125 PolarHBondContact O-N 3.13Å
123	Y	96.7	Very high	97.9	Very high	169 Å²	169	53 Å²	53	66%	0.663	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	144.9	173.8	-175.3	-98.8	0	0	0	111.2	D9 T11 R125	D9-Y123 WeakPolarHBondContact OD1-CE2 3.41Å; T11-Y123 VanDerWaalsContact CG2-N 3.29Å; Y123-R125 PolarHBondContact O-N 2.78Å
124	G	95.4	Very high	98	Very high	66 Å²	66	52.6 Å²	52.6	68%	0.68	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	3.4	-176.3	0	0	0	0	0	114.8
125	R	97.1	Very high	98	Very high	121 Å²	121	48.8 Å²	48.8	46%	0.457	23%	0.225	S	C	.	.			trans	-106.3	162.6	170.1	-55.7	-60.2	-62.1	-78.2	-4.5	109.9	P119 R122 Y123	P119-R125 HydrophobicContact CB-CB 3.75Å; P119-R125 HydrophobicContact CB-CG 4.49Å; R122-R125 HydrophobicContact CB-CB 4.4Å; R122-R125 HydrophobicContact CB-CG 3.89Å; R122-R125 WeakPolarHBondContact O-CB 3.45Å; R122-R125 PolarHBondContact O-N 3.13Å; Y123-R125 PolarHBondContact O-N 2.78Å
126	R	97.9	Very high	98	Very high	126 Å²	126	46 Å²	46	48%	0.475	21%	0.213	S	C	.	.			trans	-126.4	147.3	175.7	61.2	167.3	-175.8	76.6	-2.5	110.5	D80 P119	D80-R126 IonicContact OD1-CZ 3.7Å; D80-R126 IonicContact OD1-NH1 2.76Å; D80-R126 PolarHBondContact OD1-NH1 2.82Å; D80-R126 IonicContact OD1-NH2 3.73Å; D80-R126 PolarHBondContact OD1-NH2 2.93Å; D80-R126 IonicContact OD2-CZ 3.36Å; D80-R126 IonicContact OD2-NH1 2.72Å; D80-R126 PolarHBondContact OD2-NH1 2.83Å; D80-R126 IonicContact OD2-NH2 3.5Å; P119-R126 WeakPolarHBondContact CB-O 3.48Å
127	P	98.3	Very high	98	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.026	22%	0.221	C	C	.	.			trans	-54.2	153.9	167.7	-22.2	33.4	0	0	0	111.4	V10 I22 A25 T120 G129	V10-P127 HydrophobicContact CG2-CG 3.72Å; I22-P127 HydrophobicContact CG1-CG 3.89Å; A25-P127 HydrophobicContact CB-CB 3.86Å; A25-P127 HydrophobicContact CB-CG 4.41Å; T120-P127 HydrophobicContact CG2-CB 4.3Å; T120-P127 HydrophobicContact CG2-CG 4.39Å; P127-G129 PolarHBondContact O-N 2.84Å
128	Y	98.5	Very high	98	Very high	23 Å²	23	46.2 Å²	46.2	9%	0.09	21%	0.212	C	C	.	.			trans	-71.9	120.2	171.8	-76.4	-87.1	0	0	0	109.1	D80 L83 L84 T116 P119 V130 P149	D80-Y128 HydrophobicContact CB-CD1 3.95Å; D80-Y128 WeakPolarHBondContact OD2-CA 3.35Å; L83-Y128 HydrophobicContact CD1-CE1 4.27Å; L83-Y128 HydrophobicContact CD2-CE1 3.77Å; L83-Y128 WeakPolarHBondContact CD2-OH 3.42Å; L83-Y128 HydrophobicContact CG-CE1 4.48Å; L84-Y128 HydrophobicContact CD1-CD1 4.28Å; L84-Y128 HydrophobicContact CD1-CG 4.38Å; L84-Y128 HydrophobicContact CD2-CD1 4.23Å; L84-Y128 HydrophobicContact CD2-CE1 4.05Å; L84-Y128 HydrophobicContact CD2-CE2 4.47Å; L84-Y128 HydrophobicContact CG-CD1 4.12Å; L84-Y128 HydrophobicContact CG-CE1 4.27Å; T116-Y128 HydrophobicContact CG2-CD2 3.71Å; T116-Y128 HydrophobicContact CG2-CE2 4.12Å; T116-Y128 HydrophobicContact CG2-CG 4.26Å; P119-Y128 HydrophobicContact CG-CD2 3.88Å; P119-Y128 HydrophobicContact CG-CE2 3.67Å; Y128-V130 PolarHBondContact O-N 3.11Å; Y128-P149 WeakPolarHBondContact O-CA 3.09Å; Y128-P149 WeakPolarHBondContact O-CB 3.44Å; Y128-P149 VanDerWaalsContact O-CG 3.32Å; Y128-P149 WeakPolarHBondContact O-CG 3.46Å
129	G	98.1	Very high	97.9	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.031	23%	0.234	C	C	.	.			trans	-81.8	39.3	-177.3	0	0	0	0	0	113.2	G76 L77 D80 P127	G76-G129 WeakPolarHBondContact CA-O 3.41Å; L77-G129 PolarHBondContact N-O 3.06Å; D80-G129 PolarHBondContact OD2-N 3.19Å; P127-G129 PolarHBondContact O-N 2.84Å
130	V	98.3	Very high	97.9	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.9	-175.5	64	0	0	0	0	110.7	I74 A75 D80 A81 L84 Y128 L132	I74-V130 HydrophobicContact CB-CG2 4.41Å; A75-V130 CarbonylContact O-C 3.56Å; A75-V130 WeakPolarHBondContact O-CA 3.12Å; A75-V130 WeakPolarHBondContact O-CG2 3.28Å; D80-V130 HydrophobicContact CB-CB 4.21Å; D80-V130 HydrophobicContact CB-CG1 3.86Å; A81-V130 HydrophobicContact CB-CG2 3.82Å; L84-V130 HydrophobicContact CD1-CG1 3.65Å; Y128-V130 PolarHBondContact O-N 3.11Å; V130-L132 HydrophobicContact CG2-CD2 3.81Å
131	G	98.2	Very high	97.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.6	164.4	0	0	0	0	0	109.4	V29 A75 T147 I161	V29-G131 VanDerWaalsContact CG2-N 3.33Å; A75-G131 PolarHBondContact N-O 2.88Å; A75-G131 PolarHBondContact O-N 2.92Å; G131-T147 WeakPolarHBondContact CA-O 3.25Å; G131-I161 WeakPolarHBondContact O-CD1 3.37Å
132	L	98.7	Very high	97.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.2	177.2	-51	176.8	0	0	0	109.3	I72 S73 I74 L84 M88 V130 I134 Q146 T147	I72-L132 HydrophobicContact CD1-CD2 4.37Å; S73-L132 WeakPolarHBondContact O-CA 3.32Å; I74-L132 HydrophobicContact CB-CD2 4.41Å; I74-L132 HydrophobicContact CG2-CD2 3.82Å; L84-L132 HydrophobicContact CB-CD1 4.41Å; L84-L132 HydrophobicContact CD1-CD1 4.18Å; M88-L132 HydrophobicContact SD-CD1 4.15Å; V130-L132 HydrophobicContact CG2-CD2 3.81Å; L132-I134 HydrophobicContact CB-CD1 4.44Å; L132-I134 HydrophobicContact CB-CG1 4.03Å; L132-Q146 CarbonylContact O-C 3.49Å; L132-Q146 WeakPolarHBondContact O-CA 3.22Å; L132-T147 HydrophobicContact CB-CG2 4.48Å; L132-T147 VanDerWaalsContact CB-OG1 3.27Å; L132-T147 WeakPolarHBondContact CB-OG1 3.41Å; L132-T147 WeakPolarHBondContact CG-OG1 3.45Å; L132-T147 PolarHBondContact N-O 3.2Å; L132-T147 PolarHBondContact N-OG1 2.8Å; L132-T147 PolarHBondContact O-N 3.13Å
133	L	98.8	Very high	98	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.6	152.5	-63.2	-176.5	0	0	0	107.3	T35 L46 I72 S73 F145 Q146 M159 I161	T35-L133 HydrophobicContact CG2-CD1 3.82Å; T35-L133 HydrophobicContact CG2-CG 4.24Å; L46-L133 HydrophobicContact CD2-CB 3.79Å; I72-L133 CarbonylContact C-O 3.52Å; I72-L133 VanDerWaalsContact CA-O 3.24Å; I72-L133 WeakPolarHBondContact CA-O 3.43Å; S73-L133 PolarHBondContact N-O 2.65Å; S73-L133 PolarHBondContact O-N 2.8Å; L133-F145 CarbonylContact C-O 3.58Å; L133-F145 WeakPolarHBondContact CA-O 3.37Å; L133-Q146 HydrophobicContact CD2-CB 4.03Å; L133-Q146 HydrophobicContact CD2-CG 4.16Å; L133-M159 HydrophobicContact CD2-CB 4.06Å; L133-M159 HydrophobicContact CD2-CG 4.03Å; L133-I161 HydrophobicContact CD1-CG1 4.35Å; L133-I161 HydrophobicContact CD2-CD1 4.27Å; L133-I161 HydrophobicContact CD2-CG1 4.35Å; L133-I161 HydrophobicContact CD2-CG2 4.36Å; L133-I161 HydrophobicContact CG-CD1 3.97Å; L133-I161 HydrophobicContact CG-CG1 4.03Å
134	I	98.9	Very high	98.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.8	-176.4	-55.5	167.5	0	0	0	106.7	I70 I72 M88 V105 V109 I112 L132 I144 F145 T147	I70-I134 HydrophobicContact CG2-CG2 3.97Å; I72-I134 HydrophobicContact CG2-CB 4.32Å; I72-I134 HydrophobicContact CG2-CG1 3.85Å; I72-I134 HydrophobicContact CG2-CG2 4.24Å; M88-I134 HydrophobicContact CE-CD1 4.21Å; M88-I134 HydrophobicContact CE-CG1 4.34Å; M88-I134 HydrophobicContact CE-CG2 4.28Å; V105-I134 HydrophobicContact CG1-CG2 4.27Å; V109-I134 HydrophobicContact CG2-CD1 3.77Å; I112-I134 HydrophobicContact CD1-CD1 3.63Å; L132-I134 HydrophobicContact CB-CD1 4.44Å; L132-I134 HydrophobicContact CB-CG1 4.03Å; I134-I144 CarbonylContact O-C 3.57Å; I134-I144 WeakPolarHBondContact O-CA 3.24Å; I134-F145 HydrophobicContact CB-CB 4.23Å; I134-F145 PolarHBondContact N-O 2.83Å; I134-F145 PolarHBondContact O-N 2.97Å; I134-T147 HydrophobicContact CD1-CG2 3.77Å
135	A	98.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133	171.2	0	0	0	0	0	109	A44 L46 I70 G71 H143 I144 V215	A44-A135 HydrophobicContact CB-CB 3.92Å; L46-A135 HydrophobicContact CD1-CB 3.7Å; L46-A135 HydrophobicContact CD2-CB 3.92Å; L46-A135 HydrophobicContact CG-CB 3.55Å; I70-A135 WeakPolarHBondContact CA-O 3.34Å; G71-A135 PolarHBondContact N-O 2.88Å; G71-A135 PolarHBondContact O-N 2.76Å; G71-A135 VanDerWaalsContact O-O 3.08Å; A135-H143 WeakPolarHBondContact CA-O 3.36Å; A135-I144 HydrophobicContact CB-CD1 3.85Å; A135-V215 HydrophobicContact CB-CG1 4.14Å
136	G	98.7	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	166.5	173.6	0	0	0	0	0	112.5	H69 P142 H143	H69-G136 CarbonylContact O-C 3.57Å; H69-G136 WeakPolarHBondContact O-CA 3.47Å; G136-P142 CarbonylContact O-C 3.59Å; G136-P142 WeakPolarHBondContact O-CA 3.41Å; G136-H143 PolarHBondContact N-O 2.71Å; G136-H143 PolarHBondContact O-N 2.98Å
137	Y	98.7	Very high	98.4	Very high	56 Å²	56	25.3 Å²	25.3	22%	0.22	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.7	175.4	-169.9	-82.9	0	0	0	109	T42 H69 G141 P142 K217	T42-Y137 VanDerWaalsContact O-CE2 3.31Å; T42-Y137 WeakPolarHBondContact O-CE2 3.47Å; H69-Y137 WeakPolarHBondContact CB-O 3.25Å; H69-Y137 PolarHBondContact CD2-O 3.41Å; H69-Y137 PolarHBondContact O-N 2.97Å; Y137-G141 WeakPolarHBondContact CA-O 3.35Å; Y137-P142 HydrophobicContact CD2-CB 4Å; Y137-K217 HydrophobicContact CE1-CB 4.25Å; Y137-K217 HydrophobicContact CE1-CG 4.43Å; Y137-K217 HydrophobicContact CE2-CB 3.93Å; Y137-K217 VanDerWaalsContact CE2-N 3.34Å; Y137-K217 WeakPolarHBondContact OH-CB 3.45Å; Y137-K217 WeakPolarHBondContact OH-CG 3.27Å
138	D	98.1	Very high	98.3	Very high	23 Å²	23	26.1 Å²	26.1	12%	0.123	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	-167	175.4	64.8	27.8	0	0	0	110.9	V105 M140 G141 H143	V105-D138 HydrophobicContact CG2-CB 4.48Å; V105-D138 PolarHBondContact N-OD2 3.46Å; D138-M140 PolarHBondContact O-N 3.32Å; D138-M140 WeakPolarHBondContact OD1-CB 3.41Å; D138-M140 PolarHBondContact OD1-N 2.93Å; D138-G141 PolarHBondContact N-O 3.44Å; D138-G141 VanDerWaalsContact N-O 3.07Å; D138-G141 WeakPolarHBondContact O-CA 3.24Å; D138-G141 PolarHBondContact O-N 3.19Å; D138-H143 VanDerWaalsContact CG-NE2 3.29Å; D138-H143 IonicContact OD1-CD2 3.62Å; D138-H143 IonicContact OD1-CE1 3.2Å; D138-H143 IonicContact OD1-NE2 2.58Å; D138-H143 PolarHBondContact OD1-NE2 3.04Å; D138-H143 IonicContact OD2-CD2 3.63Å; D138-H143 IonicContact OD2-NE2 2.79Å; D138-H143 PolarHBondContact OD2-NE2 2.78Å
139	D	96.8	Very high	98.3	Very high	162 Å²	162	25.2 Å²	25.2	87%	0.866	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.4	-178.9	-60.5	-29.2	0	0	0	113.3	G141	D139-G141 VanDerWaalsContact C-N 3.34Å
140	M	97.3	Very high	98.2	Very high	162 Å²	162	26.2 Å²	26.2	80%	0.798	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	5	176.4	-60.1	-62.5	-62.5	0	0	113	D138	D138-M140 PolarHBondContact O-N 3.32Å; D138-M140 WeakPolarHBondContact OD1-CB 3.41Å; D138-M140 PolarHBondContact OD1-N 2.93Å
141	G	98	Very high	98.2	Very high	9 Å²	9	26.5 Å²	26.5	9%	0.093	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.6	-155.8	-179.8	0	0	0	0	0	113.5	Y137 D138 D139 H143	Y137-G141 WeakPolarHBondContact CA-O 3.35Å; D138-G141 PolarHBondContact N-O 3.44Å; D138-G141 VanDerWaalsContact N-O 3.07Å; D138-G141 WeakPolarHBondContact O-CA 3.24Å; D138-G141 PolarHBondContact O-N 3.19Å; D139-G141 VanDerWaalsContact C-N 3.34Å; G141-H143 PolarHBondContact O-CD2 2.81Å; G141-H143 PolarHBondContact O-NE2 2.91Å
142	P	98.6	Very high	98.2	Very high	12 Å²	12	31 Å²	31	8%	0.078	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	144.6	-177.7	30.3	-32.9	0	0	0	112.7	K39 S40 K41 A44 G136 Y137	K39-P142 HydrophobicContact CB-CB 4.26Å; K39-P142 HydrophobicContact CB-CG 4.46Å; K39-P142 WeakPolarHBondContact CD-O 3.49Å; S40-P142 WeakPolarHBondContact O-CG 3.24Å; K41-P142 VanDerWaalsContact O-CD 3.23Å; K41-P142 WeakPolarHBondContact O-CD 3.19Å; A44-P142 HydrophobicContact CB-CB 4.02Å; G136-P142 CarbonylContact O-C 3.59Å; G136-P142 WeakPolarHBondContact O-CA 3.41Å; Y137-P142 HydrophobicContact CD2-CB 4Å
143	H	98.7	Very high	98.2	Very high	19 Å²	19	35.7 Å²	35.7	9%	0.088	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.6	-177.9	-61.8	-70.1	0	0	0	111.6	A44 V105 A135 G136 D138 G141 F145	A44-H143 WeakPolarHBondContact CB-O 3.06Å; V105-H143 HydrophobicContact CB-CB 4.26Å; V105-H143 HydrophobicContact CG1-CB 4.07Å; V105-H143 HydrophobicContact CG2-CB 4.45Å; A135-H143 WeakPolarHBondContact CA-O 3.36Å; G136-H143 PolarHBondContact N-O 2.71Å; G136-H143 PolarHBondContact O-N 2.98Å; D138-H143 VanDerWaalsContact CG-NE2 3.29Å; D138-H143 IonicContact OD1-CD2 3.62Å; D138-H143 IonicContact OD1-CE1 3.2Å; D138-H143 IonicContact OD1-NE2 2.58Å; D138-H143 PolarHBondContact OD1-NE2 3.04Å; D138-H143 IonicContact OD2-CD2 3.63Å; D138-H143 IonicContact OD2-NE2 2.79Å; D138-H143 PolarHBondContact OD2-NE2 2.78Å; G141-H143 PolarHBondContact O-CD2 2.81Å; G141-H143 PolarHBondContact O-NE2 2.91Å; H143-F145 HydrophobicContact CB-CD2 4Å; H143-F145 HydrophobicContact CB-CE2 3.76Å
144	I	98.8	Very high	98.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	111.5	167.4	-64.8	-70	0	0	0	106.7	K39 A44 L46 I134 A135 C156	K39-I144 HydrophobicContact CB-CG1 3.9Å; K39-I144 HydrophobicContact CD-CG1 4.36Å; K39-I144 HydrophobicContact CG-CG1 4.13Å; A44-I144 HydrophobicContact CB-CD1 3.86Å; A44-I144 HydrophobicContact CB-CG1 4.34Å; L46-I144 HydrophobicContact CD2-CD1 4.23Å; I134-I144 CarbonylContact O-C 3.57Å; I134-I144 WeakPolarHBondContact O-CA 3.24Å; A135-I144 HydrophobicContact CB-CD1 3.85Å; I144-C156 HydrophobicContact CG2-CB 4.15Å; I144-C156 PolarHBondContact O-N 2.77Å
145	F	98.8	Very high	98.1	Very high	12 Å²	12	44.9 Å²	44.9	5%	0.053	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146.4	173.2	-73.6	-93.5	0	0	0	110.9	V105 V109 L133 I134 H143 F154 D155	V105-F145 HydrophobicContact CB-CE2 4.42Å; V105-F145 HydrophobicContact CG1-CD2 3.77Å; V105-F145 HydrophobicContact CG1-CE2 3.89Å; V109-F145 HydrophobicContact CB-CD1 4.36Å; V109-F145 HydrophobicContact CB-CG 4.44Å; V109-F145 HydrophobicContact CG1-CB 4.39Å; V109-F145 HydrophobicContact CG1-CD1 3.94Å; V109-F145 HydrophobicContact CG1-CG 4.28Å; V109-F145 HydrophobicContact CG2-CB 3.84Å; V109-F145 HydrophobicContact CG2-CD1 4.11Å; V109-F145 HydrophobicContact CG2-CD2 3.93Å; V109-F145 HydrophobicContact CG2-CG 3.7Å; L133-F145 CarbonylContact C-O 3.58Å; L133-F145 WeakPolarHBondContact CA-O 3.37Å; I134-F145 HydrophobicContact CB-CB 4.23Å; I134-F145 PolarHBondContact N-O 2.83Å; I134-F145 PolarHBondContact O-N 2.97Å; H143-F145 HydrophobicContact CB-CD2 4Å; H143-F145 HydrophobicContact CB-CE2 3.76Å; F145-F154 CarbonylContact C-O 3.54Å; F145-F154 VanDerWaalsContact CA-O 3.24Å; F145-F154 WeakPolarHBondContact CA-O 3.13Å; F145-D155 HydrophobicContact CD1-CB 3.98Å; F145-D155 HydrophobicContact CE1-CB 3.53Å; F145-D155 HydrophobicContact CZ-CB 4.01Å
146	Q	98.5	Very high	98.1	Very high	33 Å²	33	45.4 Å²	45.4	15%	0.154	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.5	166.4	-180	-168.6	-3.9	0	0	109.3	L132 L133 Y153 F154 M159 I161	L132-Q146 CarbonylContact O-C 3.49Å; L132-Q146 WeakPolarHBondContact O-CA 3.22Å; L133-Q146 HydrophobicContact CD2-CB 4.03Å; L133-Q146 HydrophobicContact CD2-CG 4.16Å; Q146-Y153 CarbonylContact O-C 3.59Å; Q146-Y153 WeakPolarHBondContact O-CA 3.36Å; Q146-Y153 WeakPolarHBondContact O-CB 3.26Å; Q146-F154 HydrophobicContact CB-CB 4.45Å; Q146-F154 HydrophobicContact CB-CD2 4.37Å; Q146-F154 HydrophobicContact CG-CD2 4.44Å; Q146-F154 PolarHBondContact N-O 3.03Å; Q146-F154 PolarHBondContact O-N 3.25Å; Q146-M159 HydrophobicContact CB-CG 4.14Å; Q146-M159 HydrophobicContact CG-CG 4.27Å; Q146-M159 VanDerWaalsContact OE1-CG 3.24Å; Q146-M159 PolarHBondContact OE1-SD 2.79Å; Q146-I161 HydrophobicContact CG-CG2 4.1Å
147	T	98.2	Very high	98.1	Very high	10 Å²	10	51 Å²	51	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	154.7	165.2	71.3	0	0	0	0	110.8	I112 G131 L132 I134	I112-T147 HydrophobicContact CG2-CG2 4.23Å; G131-T147 WeakPolarHBondContact CA-O 3.25Å; L132-T147 HydrophobicContact CB-CG2 4.48Å; L132-T147 VanDerWaalsContact CB-OG1 3.27Å; L132-T147 WeakPolarHBondContact CB-OG1 3.41Å; L132-T147 WeakPolarHBondContact CG-OG1 3.45Å; L132-T147 PolarHBondContact N-O 3.2Å; L132-T147 PolarHBondContact N-OG1 2.8Å; L132-T147 PolarHBondContact O-N 3.13Å; I134-T147 HydrophobicContact CD1-CG2 3.77Å
148	C	96.2	Very high	98	Very high	20 Å²	20	49.3 Å²	49.3	14%	0.135	25%	0.249	C	C	.	.			trans	-133.8	161.2	175.9	68	0	0	0	0	112.2	S150 A151 N152	C148-S150 PolarHBondContact O-N 3.31Å; C148-S150 PolarHBondContact SG-OG 3.33Å; C148-A151 PolarHBondContact O-N 3.38Å; C148-N152 PolarHBondContact N-O 3.43Å; C148-N152 PolarHBondContact SG-O 3.21Å
149	P	98.1	Very high	98.1	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.032	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-19.3	178.6	-32.7	38.9	0	0	0	116	A25 M26 V29 Y128 A151	A25-P149 HydrophobicContact CB-CB 3.67Å; A25-P149 HydrophobicContact CB-CG 4.24Å; M26-P149 HydrophobicContact CG-CB 4.25Å; M26-P149 HydrophobicContact CG-CG 4.21Å; V29-P149 HydrophobicContact CG2-CG 3.61Å; Y128-P149 WeakPolarHBondContact O-CA 3.09Å; Y128-P149 WeakPolarHBondContact O-CB 3.44Å; Y128-P149 VanDerWaalsContact O-CG 3.32Å; Y128-P149 WeakPolarHBondContact O-CG 3.46Å; P149-A151 PolarHBondContact O-N 3.16Å
150	S	97.5	Very high	98.2	Very high	23 Å²	23	42.4 Å²	42.4	16%	0.161	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	7.1	175.4	81.6	0	0	0	0	113.7	C148 N152	C148-S150 PolarHBondContact O-N 3.31Å; C148-S150 PolarHBondContact SG-OG 3.33Å; S150-N152 PolarHBondContact O-N 3.42Å; S150-N152 VanDerWaalsContact O-N 3.11Å; S150-N152 PolarHBondContact OG-N 3.02Å; S150-N152 PolarHBondContact OG-ND2 2.93Å
151	A	97.8	Very high	98.2	Very high	10 Å²	10	35 Å²	35	8%	0.083	18%	0.176	C	C	.	.	S	Bend	trans	64.6	1.2	-172	0	0	0	0	0	115.6	T116 Q117 C148 P149	T116-A151 VanDerWaalsContact OG1-CB 3.3Å; T116-A151 WeakPolarHBondContact OG1-CB 3.39Å; Q117-A151 HydrophobicContact CB-CB 3.72Å; C148-A151 PolarHBondContact O-N 3.38Å; P149-A151 PolarHBondContact O-N 3.16Å
152	N	98.1	Very high	98.2	Very high	95 Å²	95	34.9 Å²	34.9	51%	0.508	17%	0.174	S	C	.	.			trans	-72	146.3	170	-66.1	-16.2	0	0	0	109.7	C148 S150 F154	C148-N152 PolarHBondContact N-O 3.43Å; C148-N152 PolarHBondContact SG-O 3.21Å; S150-N152 PolarHBondContact O-N 3.42Å; S150-N152 VanDerWaalsContact O-N 3.11Å; S150-N152 PolarHBondContact OG-N 3.02Å; S150-N152 PolarHBondContact OG-ND2 2.93Å; N152-F154 HydrophobicContact CB-CE2 4.29Å; N152-F154 HydrophobicContact CB-CZ 4.03Å
153	Y	98.1	Very high	98.2	Very high	98 Å²	98	35 Å²	35	38%	0.384	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.3	174.3	57.7	-97.5	0	0	0	110.4	V109 S110 Q146	V109-Y153 HydrophobicContact CG1-CD1 4Å; V109-Y153 HydrophobicContact CG1-CD2 3.45Å; V109-Y153 VanDerWaalsContact CG1-CD2 3.45Å; V109-Y153 HydrophobicContact CG1-CE2 4.1Å; V109-Y153 HydrophobicContact CG1-CG 3.39Å; S110-Y153 PolarHBondContact OG-OH 3.47Å; Q146-Y153 CarbonylContact O-C 3.59Å; Q146-Y153 WeakPolarHBondContact O-CA 3.36Å; Q146-Y153 WeakPolarHBondContact O-CB 3.26Å
154	F	98.5	Very high	98.1	Very high	98 Å²	98	40.2 Å²	40.2	43%	0.43	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.4	-173	-50.9	-83.3	0	0	0	109	F145 Q146 N152	F145-F154 CarbonylContact C-O 3.54Å; F145-F154 VanDerWaalsContact CA-O 3.24Å; F145-F154 WeakPolarHBondContact CA-O 3.13Å; Q146-F154 HydrophobicContact CB-CB 4.45Å; Q146-F154 HydrophobicContact CB-CD2 4.37Å; Q146-F154 HydrophobicContact CG-CD2 4.44Å; Q146-F154 PolarHBondContact N-O 3.03Å; Q146-F154 PolarHBondContact O-N 3.25Å; N152-F154 HydrophobicContact CB-CE2 4.29Å; N152-F154 HydrophobicContact CB-CZ 4.03Å
155	D	98.4	Very high	98	Very high	95 Å²	95	40.7 Å²	40.7	51%	0.508	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.5	165.7	-173.3	-1	0	0	0	108.5	K39 F145	K39-D155 IonicContact NZ-OD1 2.76Å; K39-D155 PolarHBondContact NZ-OD1 2.78Å; F145-D155 HydrophobicContact CD1-CB 3.98Å; F145-D155 HydrophobicContact CE1-CB 3.53Å; F145-D155 HydrophobicContact CZ-CB 4.01Å
156	C	98.1	Very high	97.9	Very high	11 Å²	11	45 Å²	45	7%	0.074	22%	0.218	C	C	.	.			trans	-124.6	144.2	-168.5	-61.1	0	0	0	0	110.6	K39 I144 M159	K39-C156 VanDerWaalsContact CE-O 3.24Å; K39-C156 WeakPolarHBondContact CE-O 3.4Å; I144-C156 HydrophobicContact CG2-CB 4.15Å; I144-C156 PolarHBondContact O-N 2.77Å; C156-M159 HydrophobicContact CB-CB 3.98Å
157	R	97.8	Very high	97.9	Very high	119 Å²	119	45.9 Å²	45.9	45%	0.449	23%	0.228	S	C	.	.	S	Bend	trans	-73.1	-42.2	162.7	-68.5	178	63.6	170.2	-0.7	111	K39 M176	K39-R157 WeakPolarHBondContact CG-O 3.21Å; K39-R157 PolarHBondContact N-O 3.01Å; R157-M176 PolarHBondContact NH2-O 2.89Å
158	A	98.5	Very high	97.9	Very high	19 Å²	19	45.4 Å²	45.4	16%	0.157	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	153.1	169.3	0	0	0	0	0	108.7	G37 L38 L172 F179	G37-A158 CarbonylContact O-C 3.52Å; G37-A158 WeakPolarHBondContact O-CA 3.38Å; L38-A158 HydrophobicContact CB-CB 3.72Å; A158-L172 HydrophobicContact CB-CB 4.35Å; A158-L172 HydrophobicContact CB-CD1 4.05Å; A158-L172 HydrophobicContact CB-CD2 4Å; A158-L172 HydrophobicContact CB-CG 4.35Å; A158-F179 HydrophobicContact CB-CD2 4.09Å; A158-F179 HydrophobicContact CB-CE2 3.71Å
159	M	98.6	Very high	98	Very high	40 Å²	40	47.6 Å²	47.6	20%	0.197	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	152.6	178.9	-170.9	49.7	64	0	0	111.4	V36 G37 L133 Q146 C156 I161	V36-M159 CarbonylContact C-O 3.44Å; V36-M159 WeakPolarHBondContact CA-O 3.41Å; G37-M159 PolarHBondContact N-O 2.88Å; G37-M159 PolarHBondContact O-N 2.82Å; L133-M159 HydrophobicContact CD2-CB 4.06Å; L133-M159 HydrophobicContact CD2-CG 4.03Å; Q146-M159 HydrophobicContact CB-CG 4.14Å; Q146-M159 HydrophobicContact CG-CG 4.27Å; Q146-M159 VanDerWaalsContact OE1-CG 3.24Å; Q146-M159 PolarHBondContact OE1-SD 2.79Å; C156-M159 HydrophobicContact CB-CB 3.98Å; M159-I161 HydrophobicContact CG-CG2 4.49Å
160	S	98.7	Very high	98	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139	169.3	-177.3	0	0	0	0	111.2	T35 S165 R169	T35-S160 VanDerWaalsContact O-CA 3.24Å; T35-S160 WeakPolarHBondContact O-CA 3.43Å; T35-S160 WeakPolarHBondContact O-CB 3.34Å; T35-S160 PolarHBondContact O-OG 3.27Å; S160-S165 WeakPolarHBondContact OG-CB 3.48Å; S160-R169 PolarHBondContact O-NH1 3.16Å
161	I	98.5	Very high	98.1	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.5	176.7	63	175.3	0	0	0	110.4	V29 A34 T35 A75 G131 L133 Q146 M159	V29-I161 HydrophobicContact CG1-CB 4.46Å; V29-I161 HydrophobicContact CG1-CD1 4.45Å; A34-I161 WeakPolarHBondContact CA-O 3.32Å; T35-I161 HydrophobicContact CG2-CD1 4.23Å; T35-I161 HydrophobicContact CG2-CG1 3.59Å; T35-I161 PolarHBondContact N-O 2.68Å; T35-I161 PolarHBondContact O-N 3.11Å; T35-I161 VanDerWaalsContact O-N 3.13Å; A75-I161 HydrophobicContact CB-CD1 3.88Å; A75-I161 HydrophobicContact CB-CG1 3.98Å; G131-I161 WeakPolarHBondContact O-CD1 3.37Å; L133-I161 HydrophobicContact CD1-CG1 4.35Å; L133-I161 HydrophobicContact CD2-CD1 4.27Å; L133-I161 HydrophobicContact CD2-CG1 4.35Å; L133-I161 HydrophobicContact CD2-CG2 4.36Å; L133-I161 HydrophobicContact CG-CD1 3.97Å; L133-I161 HydrophobicContact CG-CG1 4.03Å; Q146-I161 HydrophobicContact CG-CG2 4.1Å; M159-I161 HydrophobicContact CG-CG2 4.49Å
162	G	98	Very high	98.1	Very high	5 Å²	5	49.6 Å²	49.6	5%	0.052	24%	0.239	C	C	.	.	S	Bend	trans	98.3	-171.9	-176.8	0	0	0	0	0	114.1	V29 K30 G32 R164 S165	V29-G162 WeakPolarHBondContact O-CA 3.3Å; K30-G162 CarbonylContact O-C 3.37Å; G32-G162 CarbonylContact O-C 3.55Å; G32-G162 WeakPolarHBondContact O-CA 3.41Å; G162-R164 PolarHBondContact O-N 2.93Å; G162-S165 WeakPolarHBondContact O-CB 3Å; G162-S165 PolarHBondContact O-N 2.73Å; G162-S165 PolarHBondContact O-OG 2.99Å
163	A	97.4	Very high	98.1	Very high	15 Å²	15	50.4 Å²	50.4	12%	0.124	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	131	-174.2	0	0	0	0	0	111.4	K30 G32 S165	K30-A163 WeakPolarHBondContact O-CA 3.48Å; K30-A163 PolarHBondContact O-N 3.09Å; G32-A163 WeakPolarHBondContact O-CB 2.95Å; G32-A163 PolarHBondContact O-N 3.24Å; A163-S165 PolarHBondContact O-N 2.98Å; A163-S165 VanDerWaalsContact O-N 3.09Å
164	R	96.6	Very high	98.1	Very high	128 Å²	128	52.9 Å²	52.9	48%	0.483	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	22.2	-178.7	-59	-177.7	-63.1	-99.4	-3.6	114.6	G162 Q166 S167 T198	G162-R164 PolarHBondContact O-N 2.93Å; R164-Q166 PolarHBondContact O-N 2.76Å; R164-Q166 VanDerWaalsContact O-N 3.11Å; R164-S167 PolarHBondContact O-N 3.1Å; R164-T198 VanDerWaalsContact CZ-O 3.27Å; R164-T198 PolarHBondContact NE-O 3.16Å; R164-T198 PolarHBondContact NH2-O 3.46Å
165	S	97.3	Very high	98.1	Very high	11 Å²	11	50.1 Å²	50.1	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-14.6	177.4	52.8	0	0	0	0	114.5	S160 G162 A163 S167 A168 R169	S160-S165 WeakPolarHBondContact OG-CB 3.48Å; G162-S165 WeakPolarHBondContact O-CB 3Å; G162-S165 PolarHBondContact O-N 2.73Å; G162-S165 PolarHBondContact O-OG 2.99Å; A163-S165 PolarHBondContact O-N 2.98Å; A163-S165 VanDerWaalsContact O-N 3.09Å; S165-S167 VanDerWaalsContact C-N 3.32Å; S165-S167 PolarHBondContact O-N 3.09Å; S165-A168 WeakPolarHBondContact O-CB 3.48Å; S165-A168 PolarHBondContact O-N 2.96Å; S165-R169 PolarHBondContact O-N 3.48Å; S165-R169 PolarHBondContact OG-NH1 3Å
166	Q	98.1	Very high	97.9	Very high	102 Å²	102	49.1 Å²	49.1	48%	0.477	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-38.2	175.1	-174.3	59	30.8	0	0	112.2	R164 R169 T170	R164-Q166 PolarHBondContact O-N 2.76Å; R164-Q166 VanDerWaalsContact O-N 3.11Å; Q166-R169 PolarHBondContact O-N 2.61Å; Q166-R169 VanDerWaalsContact OE1-CZ 3.32Å; Q166-R169 VanDerWaalsContact OE1-NE 3.11Å; Q166-T170 PolarHBondContact O-N 2.63Å; Q166-T170 PolarHBondContact O-OG1 2.96Å
167	S	97.7	Very high	97.8	Very high	52 Å²	52	52.8 Å²	52.8	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-42.7	175.9	-53.2	0	0	0	0	111.2	R164 S165 T170 Y171 E197	R164-S167 PolarHBondContact O-N 3.1Å; S165-S167 VanDerWaalsContact C-N 3.32Å; S165-S167 PolarHBondContact O-N 3.09Å; S167-T170 WeakPolarHBondContact O-CB 3.18Å; S167-T170 PolarHBondContact O-N 2.94Å; S167-Y171 PolarHBondContact O-N 3.31Å; S167-E197 WeakPolarHBondContact CB-O 3.35Å
168	A	98.4	Very high	97.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-46.9	173.4	0	0	0	0	0	111.8	V36 S165 T170 Y171 L172 A194 T198	V36-A168 HydrophobicContact CG2-CB 4.11Å; S165-A168 WeakPolarHBondContact O-CB 3.48Å; S165-A168 PolarHBondContact O-N 2.96Å; A168-T170 VanDerWaalsContact C-N 3.3Å; A168-T170 PolarHBondContact O-N 3.36Å; A168-Y171 WeakPolarHBondContact O-CB 3.31Å; A168-Y171 PolarHBondContact O-N 3Å; A168-Y171 VanDerWaalsContact O-N 3.09Å; A168-L172 VanDerWaalsContact O-CG 3.28Å; A168-L172 WeakPolarHBondContact O-CG 3.26Å; A168-L172 PolarHBondContact O-N 2.82Å; A168-A194 WeakPolarHBondContact CA-O 3.45Å; A168-A194 HydrophobicContact CB-CB 4.37Å; A168-A194 VanDerWaalsContact CB-O 3.24Å; A168-A194 WeakPolarHBondContact CB-O 3.27Å; A168-T198 HydrophobicContact CB-CG2 3.62Å
169	R	98.5	Very high	97.8	Very high	65 Å²	65	50.6 Å²	50.6	25%	0.245	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-42.1	175.9	-73.9	-170.7	-65.9	-84.9	0.5	112.1	S160 S165 Q166 Y171 L172 E173	S160-R169 PolarHBondContact O-NH1 3.16Å; S165-R169 PolarHBondContact O-N 3.48Å; S165-R169 PolarHBondContact OG-NH1 3Å; Q166-R169 PolarHBondContact O-N 2.61Å; Q166-R169 VanDerWaalsContact OE1-CZ 3.32Å; Q166-R169 VanDerWaalsContact OE1-NE 3.11Å; R169-Y171 VanDerWaalsContact C-N 3.3Å; R169-Y171 PolarHBondContact O-N 3.48Å; R169-L172 PolarHBondContact O-N 3.19Å; R169-L172 VanDerWaalsContact O-N 3.15Å; R169-E173 WeakPolarHBondContact O-CB 3.34Å; R169-E173 WeakPolarHBondContact O-CG 3.42Å; R169-E173 PolarHBondContact O-N 2.74Å
170	T	98.4	Very high	97.7	Very high	59 Å²	59	51.4 Å²	51.4	36%	0.362	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-35.8	176.1	-51	0	0	0	0	112.2	Q166 S167 A168 R174	Q166-T170 PolarHBondContact O-N 2.63Å; Q166-T170 PolarHBondContact O-OG1 2.96Å; S167-T170 WeakPolarHBondContact O-CB 3.18Å; S167-T170 PolarHBondContact O-N 2.94Å; A168-T170 VanDerWaalsContact C-N 3.3Å; A168-T170 PolarHBondContact O-N 3.36Å; T170-R174 WeakPolarHBondContact O-CG 3.44Å; T170-R174 PolarHBondContact O-N 2.76Å; T170-R174 PolarHBondContact O-NE 2.77Å
171	Y	98.3	Very high	97.6	Very high	15 Å²	15	57.9 Å²	57.9	6%	0.059	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-47.4	171.4	176.4	-81.1	0	0	0	111.7	S167 A168 R169 E173 R174 H175 H190 R193 A194 E197	S167-Y171 PolarHBondContact O-N 3.31Å; A168-Y171 WeakPolarHBondContact O-CB 3.31Å; A168-Y171 PolarHBondContact O-N 3Å; A168-Y171 VanDerWaalsContact O-N 3.09Å; R169-Y171 VanDerWaalsContact C-N 3.3Å; R169-Y171 PolarHBondContact O-N 3.48Å; Y171-E173 VanDerWaalsContact C-N 3.3Å; Y171-E173 PolarHBondContact O-N 2.62Å; Y171-R174 PolarHBondContact O-N 2.69Å; Y171-H175 AromaticContact CD2-CE1 3.89Å; Y171-H175 AromaticContact CE1-ND1 3.86Å; Y171-H175 AromaticContact CE2-CE1 3.54Å; Y171-H175 AromaticContact CE2-ND1 3.79Å; Y171-H175 AromaticContact CZ-CE1 3.81Å; Y171-H175 AromaticContact CZ-ND1 3.7Å; Y171-H175 PolarHBondContact O-N 3.04Å; Y171-H175 PolarHBondContact O-ND1 3.13Å; Y171-H190 HydrophobicContact CE1-CB 4.39Å; Y171-H190 AromaticContact CE1-ND1 3.92Å; Y171-H190 WeakPolarHBondContact CE1-O 3.24Å; Y171-H190 AromaticContact CZ-ND1 3.91Å; Y171-H190 PolarHBondContact OH-ND1 3.04Å; Y171-H190 VanDerWaalsContact OH-ND1 3.1Å; Y171-R193 HydrophobicContact CE1-CB 4.1Å; Y171-R193 HydrophobicContact CE2-CB 3.76Å; Y171-R193 VanDerWaalsContact CZ-CB 3.49Å; Y171-R193 WeakPolarHBondContact OH-CB 3.31Å; Y171-R193 WeakPolarHBondContact OH-CD 3.1Å; Y171-A194 HydrophobicContact CD1-CB 3.55Å; Y171-A194 HydrophobicContact CE1-CB 4.13Å; Y171-A194 HydrophobicContact CG-CB 4.22Å; Y171-E197 HydrophobicContact CD2-CG 4.33Å
172	L	98.4	Very high	97.5	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-42.3	-179.1	-66.7	171	0	0	0	110.8	V36 A158 A168 R169 R174 H175 M176 F179 A194	V36-L172 HydrophobicContact CG1-CD1 4.09Å; V36-L172 HydrophobicContact CG1-CD2 4.06Å; A158-L172 HydrophobicContact CB-CB 4.35Å; A158-L172 HydrophobicContact CB-CD1 4.05Å; A158-L172 HydrophobicContact CB-CD2 4Å; A158-L172 HydrophobicContact CB-CG 4.35Å; A168-L172 VanDerWaalsContact O-CG 3.28Å; A168-L172 WeakPolarHBondContact O-CG 3.26Å; A168-L172 PolarHBondContact O-N 2.82Å; R169-L172 PolarHBondContact O-N 3.19Å; R169-L172 VanDerWaalsContact O-N 3.15Å; L172-R174 VanDerWaalsContact C-N 3.3Å; L172-R174 PolarHBondContact O-N 2.96Å; L172-H175 PolarHBondContact O-N 2.9Å; L172-M176 WeakPolarHBondContact O-CA 3.13Å; L172-M176 WeakPolarHBondContact O-CB 3.07Å; L172-M176 PolarHBondContact O-N 3.33Å; L172-F179 HydrophobicContact CB-CE2 4.5Å; L172-F179 HydrophobicContact CD2-CE2 3.94Å; L172-F179 HydrophobicContact CD2-CZ 3.8Å; L172-A194 HydrophobicContact CD2-CB 3.84Å; L172-A194 HydrophobicContact CG-CB 4.1Å
173	E	98.1	Very high	97.4	Very high	111 Å²	111	61.7 Å²	61.7	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-39.3	178.4	-76.9	168.8	-164.1	0	0	112.7	R169 Y171 H175 M176	R169-E173 WeakPolarHBondContact O-CB 3.34Å; R169-E173 WeakPolarHBondContact O-CG 3.42Å; R169-E173 PolarHBondContact O-N 2.74Å; Y171-E173 VanDerWaalsContact C-N 3.3Å; Y171-E173 PolarHBondContact O-N 2.62Å; E173-H175 VanDerWaalsContact C-N 3.33Å; E173-H175 PolarHBondContact O-N 2.82Å; E173-M176 HydrophobicContact CB-CE 3.96Å; E173-M176 HydrophobicContact CG-CE 3.88Å
174	R	97.9	Very high	97.4	Very high	150 Å²	150	63.1 Å²	63.1	57%	0.566	31%	0.307	S	S	*	.	H	α-helix	trans	-67.9	-30	178.7	-73.5	-177.5	-70.1	154.9	-3	113.9	T170 Y171 L172	T170-R174 WeakPolarHBondContact O-CG 3.44Å; T170-R174 PolarHBondContact O-N 2.76Å; T170-R174 PolarHBondContact O-NE 2.77Å; Y171-R174 PolarHBondContact O-N 2.69Å; L172-R174 VanDerWaalsContact C-N 3.3Å; L172-R174 PolarHBondContact O-N 2.96Å
175	H	97.6	Very high	97.4	Very high	41 Å²	41	60.3 Å²	60.3	19%	0.19	30%	0.302	C	S	.	.	H	α-helix	trans	-114.3	4.4	-173.2	-56	84.9	0	0	0	113.3	Y171 L172 E173 S177 E178 F179 H190	Y171-H175 AromaticContact CD2-CE1 3.89Å; Y171-H175 AromaticContact CE1-ND1 3.86Å; Y171-H175 AromaticContact CE2-CE1 3.54Å; Y171-H175 AromaticContact CE2-ND1 3.79Å; Y171-H175 AromaticContact CZ-CE1 3.81Å; Y171-H175 AromaticContact CZ-ND1 3.7Å; Y171-H175 PolarHBondContact O-N 3.04Å; Y171-H175 PolarHBondContact O-ND1 3.13Å; L172-H175 PolarHBondContact O-N 2.9Å; E173-H175 VanDerWaalsContact C-N 3.33Å; E173-H175 PolarHBondContact O-N 2.82Å; H175-S177 PolarHBondContact O-N 2.82Å; H175-E178 IonicContact CD2-OE1 3.2Å; H175-E178 IonicContact CD2-OE2 2.68Å; H175-E178 WeakPolarHBondContact O-CB 3.43Å; H175-E178 PolarHBondContact O-N 3.21Å; H175-F179 HydrophobicContact CB-CE1 3.76Å; H175-F179 HydrophobicContact CB-CZ 4.05Å; H175-F179 WeakPolarHBondContact O-CD1 3.39Å; H175-F179 VanDerWaalsContact O-CE1 3.3Å; H175-F179 WeakPolarHBondContact O-CE1 3.14Å; H175-H190 AromaticContact CD2-CE1 4Å
176	M	95.2	Very high	97.3	Very high	73 Å²	73	63.9 Å²	63.9	36%	0.36	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.1	-172.3	68.2	166.9	83.5	0	0	114.1	R157 L172 E173 E178 F179	R157-M176 PolarHBondContact NH2-O 2.89Å; L172-M176 WeakPolarHBondContact O-CA 3.13Å; L172-M176 WeakPolarHBondContact O-CB 3.07Å; L172-M176 PolarHBondContact O-N 3.33Å; E173-M176 HydrophobicContact CB-CE 3.96Å; E173-M176 HydrophobicContact CG-CE 3.88Å; M176-E178 VanDerWaalsContact C-N 3.29Å; M176-F179 HydrophobicContact CB-CD2 4.44Å; M176-F179 HydrophobicContact CB-CE2 4.25Å
177	S	96.7	Very high	97.3	Very high	89 Å²	89	59 Å²	59	62%	0.622	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-25.8	177.3	44.9	0	0	0	0	112.8	H175	H175-S177 PolarHBondContact O-N 2.82Å
178	E	97.3	Very high	97.4	Very high	89 Å²	89	56.6 Å²	56.6	42%	0.416	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-32.6	-176.4	-61.9	163.2	-151.4	0	0	111.6	H175 M176 M180 E181 C182 H190	H175-E178 IonicContact CD2-OE1 3.2Å; H175-E178 IonicContact CD2-OE2 2.68Å; H175-E178 WeakPolarHBondContact O-CB 3.43Å; H175-E178 PolarHBondContact O-N 3.21Å; M176-E178 VanDerWaalsContact C-N 3.29Å; E178-M180 VanDerWaalsContact C-N 3.29Å; E178-M180 PolarHBondContact O-N 2.97Å; E178-M180 VanDerWaalsContact O-N 3.08Å; E178-E181 PolarHBondContact O-N 3.36Å; E178-E181 VanDerWaalsContact O-N 3.14Å; E178-C182 PolarHBondContact O-N 2.73Å; E178-C182 PolarHBondContact O-SG 3.32Å; E178-C182 VanDerWaalsContact O-SG 3.32Å; E178-H190 IonicContact OE2-CE1 3.67Å; E178-H190 PolarHBondContact OE2-CE1 3.27Å; E178-H190 IonicContact OE2-NE2 3.53Å
179	F	97.8	Very high	97.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.9	-167.1	-59.3	-18.6	0	0	0	115	L38 S40 A158 L172 H175 M176 E181 C182 L187 H190	L38-F179 HydrophobicContact CB-CD2 4.45Å; L38-F179 HydrophobicContact CD1-CD1 4.38Å; L38-F179 HydrophobicContact CD1-CD2 4.44Å; L38-F179 HydrophobicContact CD1-CE1 4.28Å; L38-F179 HydrophobicContact CD1-CE2 4.33Å; L38-F179 HydrophobicContact CD1-CG 4.49Å; L38-F179 HydrophobicContact CD1-CZ 4.26Å; S40-F179 WeakPolarHBondContact CA-O 3.28Å; S40-F179 WeakPolarHBondContact CB-O 3.45Å; A158-F179 HydrophobicContact CB-CD2 4.09Å; A158-F179 HydrophobicContact CB-CE2 3.71Å; L172-F179 HydrophobicContact CB-CE2 4.5Å; L172-F179 HydrophobicContact CD2-CE2 3.94Å; L172-F179 HydrophobicContact CD2-CZ 3.8Å; H175-F179 HydrophobicContact CB-CE1 3.76Å; H175-F179 HydrophobicContact CB-CZ 4.05Å; H175-F179 WeakPolarHBondContact O-CD1 3.39Å; H175-F179 VanDerWaalsContact O-CE1 3.3Å; H175-F179 WeakPolarHBondContact O-CE1 3.14Å; M176-F179 HydrophobicContact CB-CD2 4.44Å; M176-F179 HydrophobicContact CB-CE2 4.25Å; F179-E181 VanDerWaalsContact C-N 3.27Å; F179-E181 PolarHBondContact O-N 2.87Å; F179-C182 PolarHBondContact O-N 3.43Å; F179-L187 HydrophobicContact CB-CD1 4.13Å; F179-L187 HydrophobicContact CG-CD1 4.46Å; F179-H190 HydrophobicContact CD1-CB 4.29Å; F179-H190 HydrophobicContact CE1-CB 3.72Å; F179-H190 AromaticContact CE1-CG 3.64Å; F179-H190 AromaticContact CE1-ND1 3.68Å; F179-H190 HydrophobicContact CZ-CB 4.47Å
180	M	97	Very high	97.3	Very high	57 Å²	57	56.1 Å²	56.1	28%	0.281	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-29.3	-175.5	-64.2	-55.9	-63.4	0	0	112.6	K41 E178	K41-M180 HydrophobicContact CG-CB 4.4Å; K41-M180 HydrophobicContact CG-CE 3.75Å; K41-M180 VanDerWaalsContact CG-O 3.25Å; K41-M180 WeakPolarHBondContact CG-O 3.25Å; K41-M180 PolarHBondContact N-O 3.45Å; E178-M180 VanDerWaalsContact C-N 3.29Å; E178-M180 PolarHBondContact O-N 2.97Å; E178-M180 VanDerWaalsContact O-N 3.08Å
181	E	96.9	Very high	97.3	Very high	137 Å²	137	53.3 Å²	53.3	64%	0.64	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-7	179.4	-52.9	-52.3	147	0	0	113.3	K41 E178 F179	K41-E181 WeakPolarHBondContact CE-OE1 3.48Å; K41-E181 IonicContact NZ-OE1 3.74Å; K41-E181 PolarHBondContact NZ-OE1 3.45Å; K41-E181 IonicContact NZ-OE2 2.81Å; K41-E181 PolarHBondContact NZ-OE2 3.25Å; E178-E181 PolarHBondContact O-N 3.36Å; E178-E181 VanDerWaalsContact O-N 3.14Å; F179-E181 VanDerWaalsContact C-N 3.27Å; F179-E181 PolarHBondContact O-N 2.87Å
182	C	96.3	Very high	97.3	Very high	12 Å²	12	52.6 Å²	52.6	8%	0.081	26%	0.257	C	S	.	.			trans	-61.4	138.5	178.6	-71.3	0	0	0	0	111.7	E178 F179 E186 L187	E178-C182 PolarHBondContact O-N 2.73Å; E178-C182 PolarHBondContact O-SG 3.32Å; E178-C182 VanDerWaalsContact O-SG 3.32Å; F179-C182 PolarHBondContact O-N 3.43Å; C182-E186 WeakPolarHBondContact CA-OE2 3.31Å; C182-E186 HydrophobicContact CB-CB 3.92Å; C182-L187 HydrophobicContact CB-CB 4.15Å; C182-L187 HydrophobicContact CB-CD1 4.48Å
183	N	96.4	Very high	97.2	Very high	80 Å²	80	54.2 Å²	54.2	43%	0.428	26%	0.263	S	S	.	.			trans	-69.6	170.7	161.5	69.1	55.1	0	0	0	110.7	N185 E186 L187	N183-N185 VanDerWaalsContact C-N 3.33Å; N183-N185 PolarHBondContact O-N 3Å; N183-N185 PolarHBondContact OD1-N 3.44Å; N183-E186 PolarHBondContact N-OE2 3.4Å; N183-E186 PolarHBondContact ND2-OE1 3.45Å; N183-E186 VanDerWaalsContact ND2-OE1 3.1Å; N183-E186 PolarHBondContact ND2-OE2 2.88Å; N183-E186 VanDerWaalsContact ND2-OE2 3.14Å; N183-E186 PolarHBondContact O-N 3.08Å; N183-E186 PolarHBondContact OD1-N 3.16Å; N183-L187 WeakPolarHBondContact O-CB 3.41Å; N183-L187 PolarHBondContact O-N 3.09Å
184	L	96.8	Very high	97.2	Very high	45 Å²	45	49 Å²	49	24%	0.236	24%	0.238	C	C	.	.	H	α-helix	trans	-57.7	-44.1	-175.8	177.6	59.5	0	0	0	112.8	H43 V45 L187 V188 I214 L219	H43-L184 HydrophobicContact CB-CD1 4.09Å; V45-L184 HydrophobicContact CG2-CD1 4Å; L184-L187 PolarHBondContact O-N 3.24Å; L184-V188 HydrophobicContact CD1-CG2 4.1Å; L184-V188 VanDerWaalsContact O-CG2 3.29Å; L184-V188 WeakPolarHBondContact O-CG2 3.32Å; L184-V188 PolarHBondContact O-N 2.94Å; L184-I214 HydrophobicContact CD1-CD1 4.21Å; L184-I214 HydrophobicContact CD1-CG2 3.54Å; L184-I214 HydrophobicContact CD2-CD1 4.47Å; L184-I214 HydrophobicContact CD2-CG2 4.27Å; L184-L219 HydrophobicContact CD2-CD2 4.43Å
185	N	96.1	Very high	97.2	Very high	69 Å²	69	41.8 Å²	41.8	37%	0.369	21%	0.211	S	C	.	.	H	α-helix	trans	-67	-43.7	-177.1	-169.5	27.5	0	0	0	111.5	N183 L187 V188 K189	N183-N185 VanDerWaalsContact C-N 3.33Å; N183-N185 PolarHBondContact O-N 3Å; N183-N185 PolarHBondContact OD1-N 3.44Å; N185-L187 VanDerWaalsContact C-N 3.35Å; N185-L187 PolarHBondContact O-N 3.46Å; N185-V188 PolarHBondContact O-N 3.48Å; N185-K189 VanDerWaalsContact O-CG 3.31Å; N185-K189 WeakPolarHBondContact O-CG 3.25Å; N185-K189 PolarHBondContact O-N 2.81Å
186	E	96.6	Very high	97.2	Very high	87 Å²	87	40.9 Å²	40.9	41%	0.407	21%	0.206	S	C	.	.	H	α-helix	trans	-59.7	-45.7	174	-71.7	164.3	175.2	0	0	111.5	C182 N183 V188 K189 H190	C182-E186 WeakPolarHBondContact CA-OE2 3.31Å; C182-E186 HydrophobicContact CB-CB 3.92Å; N183-E186 PolarHBondContact N-OE2 3.4Å; N183-E186 PolarHBondContact ND2-OE1 3.45Å; N183-E186 VanDerWaalsContact ND2-OE1 3.1Å; N183-E186 PolarHBondContact ND2-OE2 2.88Å; N183-E186 VanDerWaalsContact ND2-OE2 3.14Å; N183-E186 PolarHBondContact O-N 3.08Å; N183-E186 PolarHBondContact OD1-N 3.16Å; E186-V188 PolarHBondContact O-N 3.45Å; E186-K189 WeakPolarHBondContact O-CB 3.23Å; E186-K189 PolarHBondContact O-N 3.17Å; E186-K189 VanDerWaalsContact O-N 3.16Å; E186-H190 PolarHBondContact O-CD2 2.94Å; E186-H190 PolarHBondContact O-N 3.49Å
187	L	98	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-46.3	179.2	-171.6	70.3	0	0	0	111.2	L38 H43 V45 F179 C182 N183 L184 N185 K189 H190 G191	L38-L187 HydrophobicContact CD1-CD1 3.7Å; L38-L187 HydrophobicContact CD1-CG 4.23Å; L38-L187 HydrophobicContact CG-CD1 3.79Å; L38-L187 HydrophobicContact CG-CG 4.08Å; H43-L187 HydrophobicContact CB-CD2 4.27Å; V45-L187 HydrophobicContact CB-CD2 4.35Å; V45-L187 HydrophobicContact CG2-CD2 3.67Å; V45-L187 HydrophobicContact CG2-CG 4.15Å; F179-L187 HydrophobicContact CB-CD1 4.13Å; F179-L187 HydrophobicContact CG-CD1 4.46Å; C182-L187 HydrophobicContact CB-CB 4.15Å; C182-L187 HydrophobicContact CB-CD1 4.48Å; N183-L187 WeakPolarHBondContact O-CB 3.41Å; N183-L187 PolarHBondContact O-N 3.09Å; L184-L187 PolarHBondContact O-N 3.24Å; N185-L187 VanDerWaalsContact C-N 3.35Å; N185-L187 PolarHBondContact O-N 3.46Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 2.84Å; L187-H190 PolarHBondContact O-N 3.02Å; L187-G191 PolarHBondContact O-N 3.14Å
188	V	98	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-42.8	175.3	174.5	0	0	0	0	110.8	V45 L184 N185 E186 H190 G191 L192 I212 I214 F232	V45-V188 HydrophobicContact CG1-CG2 3.95Å; V45-V188 HydrophobicContact CG2-CG2 3.98Å; L184-V188 HydrophobicContact CD1-CG2 4.1Å; L184-V188 VanDerWaalsContact O-CG2 3.29Å; L184-V188 WeakPolarHBondContact O-CG2 3.32Å; L184-V188 PolarHBondContact O-N 2.94Å; N185-V188 PolarHBondContact O-N 3.48Å; E186-V188 PolarHBondContact O-N 3.45Å; V188-H190 PolarHBondContact O-N 3.03Å; V188-G191 WeakPolarHBondContact O-CA 3.49Å; V188-G191 PolarHBondContact O-N 2.91Å; V188-G191 VanDerWaalsContact O-N 3.1Å; V188-L192 HydrophobicContact CG1-CD1 3.87Å; V188-L192 HydrophobicContact CG1-CG 4.31Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 2.68Å; V188-I212 HydrophobicContact CG1-CD1 3.88Å; V188-I212 HydrophobicContact CG1-CG2 4.29Å; V188-I214 HydrophobicContact CG2-CD1 3.94Å; V188-F232 HydrophobicContact CB-CD1 4.04Å; V188-F232 HydrophobicContact CB-CE1 4.43Å; V188-F232 HydrophobicContact CG1-CB 3.89Å; V188-F232 HydrophobicContact CG1-CD1 3.6Å; V188-F232 HydrophobicContact CG1-CE1 4.28Å; V188-F232 HydrophobicContact CG1-CG 3.81Å; V188-F232 HydrophobicContact CG2-CD1 4.27Å; V188-F232 HydrophobicContact CG2-CE1 4.18Å
189	K	97	Very high	97.2	Very high	42 Å²	42	32.9 Å²	32.9	18%	0.183	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-39.9	176	-72.7	-178.5	-177.4	-167.6	0	112.8	N185 E186 L187 G191 L192 R193 G235 L236	N185-K189 VanDerWaalsContact O-CG 3.31Å; N185-K189 WeakPolarHBondContact O-CG 3.25Å; N185-K189 PolarHBondContact O-N 2.81Å; E186-K189 WeakPolarHBondContact O-CB 3.23Å; E186-K189 PolarHBondContact O-N 3.17Å; E186-K189 VanDerWaalsContact O-N 3.16Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 2.84Å; K189-G191 VanDerWaalsContact C-N 3.33Å; K189-L192 PolarHBondContact O-N 2.68Å; K189-R193 WeakPolarHBondContact O-CB 3.39Å; K189-R193 VanDerWaalsContact O-CG 3.28Å; K189-R193 WeakPolarHBondContact O-CG 3.41Å; K189-R193 PolarHBondContact O-N 2.92Å; K189-G235 WeakPolarHBondContact CE-O 3.46Å; K189-G235 PolarHBondContact NZ-O 3.32Å; K189-G235 VanDerWaalsContact NZ-O 3.07Å; K189-L236 HydrophobicContact CB-CD1 4.49Å; K189-L236 HydrophobicContact CG-CD1 4Å
190	H	98	Very high	97.1	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.06	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-40.8	172.4	-78.8	-80.7	0	0	0	111.8	L38 Y171 H175 E178 F179 E186 L187 V188 R193 A194	L38-H190 HydrophobicContact CD1-CB 3.86Å; Y171-H190 HydrophobicContact CE1-CB 4.39Å; Y171-H190 AromaticContact CE1-ND1 3.92Å; Y171-H190 WeakPolarHBondContact CE1-O 3.24Å; Y171-H190 AromaticContact CZ-ND1 3.91Å; Y171-H190 PolarHBondContact OH-ND1 3.04Å; Y171-H190 VanDerWaalsContact OH-ND1 3.1Å; H175-H190 AromaticContact CD2-CE1 4Å; E178-H190 IonicContact OE2-CE1 3.67Å; E178-H190 PolarHBondContact OE2-CE1 3.27Å; E178-H190 IonicContact OE2-NE2 3.53Å; F179-H190 HydrophobicContact CD1-CB 4.29Å; F179-H190 HydrophobicContact CE1-CB 3.72Å; F179-H190 AromaticContact CE1-CG 3.64Å; F179-H190 AromaticContact CE1-ND1 3.68Å; F179-H190 HydrophobicContact CZ-CB 4.47Å; E186-H190 PolarHBondContact O-CD2 2.94Å; E186-H190 PolarHBondContact O-N 3.49Å; L187-H190 PolarHBondContact O-N 3.02Å; V188-H190 PolarHBondContact O-N 3.03Å; H190-R193 PolarHBondContact O-N 3.45Å; H190-A194 WeakPolarHBondContact O-CB 3.35Å; H190-A194 PolarHBondContact O-N 3.34Å
191	G	98.3	Very high	96.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-44.4	174.4	0	0	0	0	0	112.8	L187 V188 K189 A194 L195	L187-G191 PolarHBondContact O-N 3.14Å; V188-G191 WeakPolarHBondContact O-CA 3.49Å; V188-G191 PolarHBondContact O-N 2.91Å; V188-G191 VanDerWaalsContact O-N 3.1Å; K189-G191 VanDerWaalsContact C-N 3.33Å; G191-A194 PolarHBondContact O-N 3.27Å; G191-L195 WeakPolarHBondContact O-CB 3.17Å; G191-L195 PolarHBondContact O-N 3.28Å
192	L	98.1	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.8	-44.4	177.4	-68.2	165.9	0	0	0	112.1	V47 V188 K189 A194 L195 R196 L205 V210 I212 F232 L233 L236	V47-L192 HydrophobicContact CG1-CD2 3.6Å; V47-L192 HydrophobicContact CG1-CG 4.27Å; V188-L192 HydrophobicContact CG1-CD1 3.87Å; V188-L192 HydrophobicContact CG1-CG 4.31Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 2.68Å; K189-L192 PolarHBondContact O-N 2.68Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.06Å; L192-L195 PolarHBondContact O-N 2.94Å; L192-R196 WeakPolarHBondContact O-CB 3.45Å; L192-R196 PolarHBondContact O-N 3.13Å; L192-L205 HydrophobicContact CB-CD1 4.15Å; L192-L205 HydrophobicContact CD2-CD1 4.13Å; L192-L205 WeakPolarHBondContact O-CD1 3.38Å; L192-V210 HydrophobicContact CD2-CG1 3.68Å; L192-V210 HydrophobicContact CD2-CG2 4.44Å; L192-I212 HydrophobicContact CD1-CD1 4.34Å; L192-I212 HydrophobicContact CD2-CD1 4.22Å; L192-F232 HydrophobicContact CD1-CB 3.96Å; L192-L233 HydrophobicContact CD1-CD2 4.25Å; L192-L233 HydrophobicContact CD2-CD2 4.16Å; L192-L236 HydrophobicContact CB-CD1 4.06Å; L192-L236 HydrophobicContact CB-CD2 3.7Å; L192-L236 HydrophobicContact CB-CG 4.43Å; L192-L236 HydrophobicContact CD1-CD1 3.68Å
193	R	97.3	Very high	96.4	Very high	42 Å²	42	40.6 Å²	40.6	16%	0.158	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-45.2	174.6	-72.8	173.9	-174.9	134.7	-9	110.9	Y171 K189 H190 L195 R196 E197 E237	Y171-R193 HydrophobicContact CE1-CB 4.1Å; Y171-R193 HydrophobicContact CE2-CB 3.76Å; Y171-R193 VanDerWaalsContact CZ-CB 3.49Å; Y171-R193 WeakPolarHBondContact OH-CB 3.31Å; Y171-R193 WeakPolarHBondContact OH-CD 3.1Å; K189-R193 WeakPolarHBondContact O-CB 3.39Å; K189-R193 VanDerWaalsContact O-CG 3.28Å; K189-R193 WeakPolarHBondContact O-CG 3.41Å; K189-R193 PolarHBondContact O-N 2.92Å; H190-R193 PolarHBondContact O-N 3.45Å; R193-L195 PolarHBondContact O-N 2.76Å; R193-R196 WeakPolarHBondContact O-CB 3.44Å; R193-R196 PolarHBondContact O-N 3.47Å; R193-E197 PolarHBondContact O-N 3.09Å; R193-E237 IonicContact CZ-OE1 2.92Å; R193-E237 IonicContact NH2-OE1 2.68Å; R193-E237 PolarHBondContact NH2-OE1 3.24Å
194	A	98	Very high	96.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-43.1	174.7	0	0	0	0	0	112.3	V36 A168 Y171 L172 H190 G191 L192 R196 E197	V36-A194 HydrophobicContact CG1-CB 4.08Å; V36-A194 HydrophobicContact CG2-CB 4.12Å; A168-A194 WeakPolarHBondContact CA-O 3.45Å; A168-A194 HydrophobicContact CB-CB 4.37Å; A168-A194 VanDerWaalsContact CB-O 3.24Å; A168-A194 WeakPolarHBondContact CB-O 3.27Å; Y171-A194 HydrophobicContact CD1-CB 3.55Å; Y171-A194 HydrophobicContact CE1-CB 4.13Å; Y171-A194 HydrophobicContact CG-CB 4.22Å; L172-A194 HydrophobicContact CD2-CB 3.84Å; L172-A194 HydrophobicContact CG-CB 4.1Å; H190-A194 WeakPolarHBondContact O-CB 3.35Å; H190-A194 PolarHBondContact O-N 3.34Å; G191-A194 PolarHBondContact O-N 3.27Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.06Å; A194-R196 VanDerWaalsContact C-N 3.34Å; A194-E197 PolarHBondContact O-N 3.42Å
195	L	98	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-38	178.1	-172.7	66.2	0	0	0	111.6	A34 V36 V47 L49 G191 L192 R193 E197 T198 L205	A34-L195 HydrophobicContact CB-CD1 3.86Å; V36-L195 HydrophobicContact CG2-CB 4.14Å; V36-L195 HydrophobicContact CG2-CD1 4.18Å; V47-L195 HydrophobicContact CB-CD2 4.4Å; V47-L195 HydrophobicContact CG1-CB 4.36Å; V47-L195 HydrophobicContact CG1-CD2 3.53Å; L49-L195 HydrophobicContact CB-CD1 4.07Å; L49-L195 HydrophobicContact CB-CD2 4.24Å; L49-L195 HydrophobicContact CB-CG 4.42Å; G191-L195 WeakPolarHBondContact O-CB 3.17Å; G191-L195 PolarHBondContact O-N 3.28Å; L192-L195 PolarHBondContact O-N 2.94Å; R193-L195 PolarHBondContact O-N 2.76Å; L195-E197 VanDerWaalsContact C-N 3.28Å; L195-E197 PolarHBondContact O-N 3.43Å; L195-T198 WeakPolarHBondContact O-CB 3.45Å; L195-T198 WeakPolarHBondContact O-CG2 3.39Å; L195-T198 PolarHBondContact O-N 3.47Å; L195-T198 PolarHBondContact O-OG1 3.24Å; L195-L205 HydrophobicContact CD2-CD2 4.09Å; L195-L205 HydrophobicContact CG-CD2 4.24Å
196	R	96.9	Very high	96.2	Very high	22 Å²	22	39.7 Å²	39.7	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-35.1	177.1	-171.9	170.4	64.5	-176.9	3.7	112.5	L192 R193 A194 T198 L199 L205 E237	L192-R196 WeakPolarHBondContact O-CB 3.45Å; L192-R196 PolarHBondContact O-N 3.13Å; R193-R196 WeakPolarHBondContact O-CB 3.44Å; R193-R196 PolarHBondContact O-N 3.47Å; A194-R196 VanDerWaalsContact C-N 3.34Å; R196-T198 PolarHBondContact O-N 3.2Å; R196-T198 VanDerWaalsContact O-N 3.09Å; R196-L199 WeakPolarHBondContact O-CB 3.32Å; R196-L199 PolarHBondContact O-N 3.35Å; R196-L205 HydrophobicContact CB-CD1 3.88Å; R196-L205 HydrophobicContact CB-CG 4.2Å; R196-L205 HydrophobicContact CG-CG 4.48Å; R196-E237 VanDerWaalsContact CZ-O 3.25Å; R196-E237 PolarHBondContact NH1-O 3.28Å; R196-E237 PolarHBondContact NH2-O 3.18Å
197	E	96.7	Very high	96.2	Very high	70 Å²	70	37.6 Å²	37.6	33%	0.327	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.8	173.8	-63.6	-61.2	133.1	0	0	113.4	S167 Y171 R193 A194 L195	S167-E197 WeakPolarHBondContact CB-O 3.35Å; Y171-E197 HydrophobicContact CD2-CG 4.33Å; R193-E197 PolarHBondContact O-N 3.09Å; A194-E197 PolarHBondContact O-N 3.42Å; L195-E197 VanDerWaalsContact C-N 3.28Å; L195-E197 PolarHBondContact O-N 3.43Å
198	T	97.3	Very high	96	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.1	174.7	77.8	0	0	0	0	113.3	A34 R164 A168 L195 R196	A34-T198 HydrophobicContact CB-CG2 3.77Å; A34-T198 WeakPolarHBondContact CB-OG1 3.4Å; R164-T198 VanDerWaalsContact CZ-O 3.27Å; R164-T198 PolarHBondContact NE-O 3.16Å; R164-T198 PolarHBondContact NH2-O 3.46Å; A168-T198 HydrophobicContact CB-CG2 3.62Å; L195-T198 WeakPolarHBondContact O-CB 3.45Å; L195-T198 WeakPolarHBondContact O-CG2 3.39Å; L195-T198 PolarHBondContact O-N 3.47Å; L195-T198 PolarHBondContact O-OG1 3.24Å; R196-T198 PolarHBondContact O-N 3.2Å; R196-T198 VanDerWaalsContact O-N 3.09Å
199	L	96.3	Very high	96	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.068	24%	0.236	C	C	.	.	S	Bend	trans	-87.2	151.3	177.6	-65.6	177.1	0	0	0	111.1	L49 R196 Q203 L205	L49-L199 HydrophobicContact CD1-CD2 3.89Å; L49-L199 HydrophobicContact CD2-CD2 3.54Å; L49-L199 HydrophobicContact CG-CD2 4.38Å; R196-L199 WeakPolarHBondContact O-CB 3.32Å; R196-L199 PolarHBondContact O-N 3.35Å; L199-Q203 HydrophobicContact CB-CB 4.35Å; L199-Q203 WeakPolarHBondContact CD1-O 3.5Å; L199-L205 HydrophobicContact CD1-CD2 3.7Å; L199-L205 HydrophobicContact CD1-CG 4.08Å
200	P	94.4	Very high	96	Very high	31 Å²	31	43.3 Å²	43.3	20%	0.201	23%	0.227	C	C	.	.			trans	-53.5	161	160.1	-21.5	35.1	0	0	0	111.3	E202 Q203 R239	P200-E202 HydrophobicContact CB-CG 4.34Å; P200-E202 VanDerWaalsContact CB-OE1 3.23Å; P200-E202 WeakPolarHBondContact CB-OE1 3.31Å; P200-E202 VanDerWaalsContact CB-OE2 3.25Å; P200-E202 WeakPolarHBondContact CB-OE2 3.32Å; P200-E202 PolarHBondContact O-N 3.04Å; P200-Q203 HydrophobicContact CB-CG 4.4Å; P200-Q203 HydrophobicContact CG-CG 4.32Å; P200-Q203 PolarHBondContact O-N 3.43Å; P200-R239 PolarHBondContact O-NH1 3.23Å
201	A	91.2	Very high	96	Very high	87 Å²	87	42.8 Å²	42.8	72%	0.719	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.5	-175.7	0	0	0	0	0	112.3
202	E	91.6	Very high	96	Very high	154 Å²	154	42.8 Å²	42.8	72%	0.72	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-4.7	-176.3	67.3	-83.3	-168.8	0	0	114.8	P200	P200-E202 HydrophobicContact CB-CG 4.34Å; P200-E202 VanDerWaalsContact CB-OE1 3.23Å; P200-E202 WeakPolarHBondContact CB-OE1 3.31Å; P200-E202 VanDerWaalsContact CB-OE2 3.25Å; P200-E202 WeakPolarHBondContact CB-OE2 3.32Å; P200-E202 PolarHBondContact O-N 3.04Å
203	Q	92.8	Very high	96.1	Very high	97 Å²	97	42.8 Å²	42.8	45%	0.453	23%	0.225	S	C	.	.			trans	-115.4	132	-178.7	-64.8	-173.6	-7.6	0	0	111.2	L199 P200 R239	L199-Q203 HydrophobicContact CB-CB 4.35Å; L199-Q203 WeakPolarHBondContact CD1-O 3.5Å; P200-Q203 HydrophobicContact CB-CG 4.4Å; P200-Q203 HydrophobicContact CG-CG 4.32Å; P200-Q203 PolarHBondContact O-N 3.43Å; Q203-R239 PolarHBondContact O-NH2 3.36Å
204	D	93.9	Very high	96.1	Very high	90 Å²	90	40.8 Å²	40.8	48%	0.481	22%	0.217	S	C	.	.			trans	-109.1	166.6	176	-83.1	-52.9	0	0	0	114.5	N209 R239	D204-N209 PolarHBondContact O-ND2 3.06Å; D204-R239 IonicContact OD1-CZ 3.94Å; D204-R239 IonicContact OD1-NE 3.64Å; D204-R239 IonicContact OD1-NH2 3.24Å; D204-R239 PolarHBondContact OD1-NH2 2.72Å
205	L	96.2	Very high	96.2	Very high	22 Å²	22	40.8 Å²	40.8	12%	0.115	22%	0.217	C	C	.	.			trans	-72.9	133.7	170.3	-63.1	178.4	0	0	0	109.2	L49 L192 L195 R196 L199 V210 L233 L236	L49-L205 HydrophobicContact CD1-CD2 4.32Å; L192-L205 HydrophobicContact CB-CD1 4.15Å; L192-L205 HydrophobicContact CD2-CD1 4.13Å; L192-L205 WeakPolarHBondContact O-CD1 3.38Å; L195-L205 HydrophobicContact CD2-CD2 4.09Å; L195-L205 HydrophobicContact CG-CD2 4.24Å; R196-L205 HydrophobicContact CB-CD1 3.88Å; R196-L205 HydrophobicContact CB-CG 4.2Å; R196-L205 HydrophobicContact CG-CG 4.48Å; L199-L205 HydrophobicContact CD1-CD2 3.7Å; L199-L205 HydrophobicContact CD1-CG 4.08Å; L205-V210 HydrophobicContact CB-CG2 3.75Å; L205-V210 HydrophobicContact CD1-CG2 4.41Å; L205-V210 HydrophobicContact CD2-CG2 3.67Å; L205-V210 HydrophobicContact CG-CG2 4.13Å; L205-L233 HydrophobicContact CB-CD2 4.17Å; L205-L236 HydrophobicContact CD1-CD2 4.23Å
206	T	95.6	Very high	96.2	Very high	63 Å²	63	41 Å²	41	39%	0.387	22%	0.22	S	C	.	.			trans	-133.3	162.1	-179	62.9	0	0	0	0	109.4	K208 N209 V210	T206-K208 PolarHBondContact O-N 2.77Å; T206-K208 VanDerWaalsContact O-N 3.17Å; T206-N209 PolarHBondContact N-OD1 3Å; T206-N209 PolarHBondContact O-N 3.4Å; T206-N209 VanDerWaalsContact O-N 3.16Å; T206-N209 PolarHBondContact O-OD1 2.83Å; T206-N209 VanDerWaalsContact O-OD1 3.13Å; T206-N209 PolarHBondContact OG1-N 3.16Å; T206-N209 PolarHBondContact OG1-ND2 2.79Å; T206-N209 PolarHBondContact OG1-OD1 3.35Å; T206-V210 PolarHBondContact O-N 3.06Å; T206-V210 VanDerWaalsContact O-N 3.09Å
207	T	95.8	Very high	96.1	Very high	43 Å²	43	45.6 Å²	45.6	26%	0.264	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-34.9	174.5	52.7	0	0	0	0	112.5	D226 V229 S230 L233	T207-D226 VanDerWaalsContact CB-O 3.28Å; T207-D226 WeakPolarHBondContact CB-O 3.46Å; T207-D226 WeakPolarHBondContact O-CA 3.43Å; T207-D226 PolarHBondContact O-N 3.28Å; T207-V229 HydrophobicContact CG2-CG2 4.2Å; T207-S230 WeakPolarHBondContact CG2-OG 3.43Å; T207-L233 HydrophobicContact CG2-CD1 4.1Å
208	K	95.3	Very high	96.1	Very high	140 Å²	140	49.7 Å²	49.7	61%	0.609	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-31.5	-179.7	-64.4	-172.8	177.6	-178.2	0	114.5	K50 H59 T206	K50-K208 WeakPolarHBondContact CE-O 3.35Å; H59-K208 PolarHBondContact CD2-O 3.01Å; H59-K208 PolarHBondContact ND1-O 3.3Å; T206-K208 PolarHBondContact O-N 2.77Å; T206-K208 VanDerWaalsContact O-N 3.17Å
209	N	96.4	Very high	96.1	Very high	23 Å²	23	52 Å²	52	12%	0.123	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-8.4	-173.7	74.1	17	0	0	0	113.8	L49 K50 D204 T206	L49-N209 CarbonylContact C-O 3.56Å; L49-N209 WeakPolarHBondContact CA-O 3.29Å; L49-N209 HydrophobicContact CD1-CB 4.17Å; K50-N209 PolarHBondContact N-O 3.05Å; D204-N209 PolarHBondContact O-ND2 3.06Å; T206-N209 PolarHBondContact N-OD1 3Å; T206-N209 PolarHBondContact O-N 3.4Å; T206-N209 VanDerWaalsContact O-N 3.16Å; T206-N209 PolarHBondContact O-OD1 2.83Å; T206-N209 VanDerWaalsContact O-OD1 3.13Å; T206-N209 PolarHBondContact OG1-N 3.16Å; T206-N209 PolarHBondContact OG1-ND2 2.79Å; T206-N209 PolarHBondContact OG1-OD1 3.35Å
210	V	98	Very high	96.2	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.5	176.4	175.8	0	0	0	0	111.1	V47 K50 L192 L205 T206 I212 V229	V47-V210 HydrophobicContact CG1-CG1 4.29Å; K50-V210 WeakPolarHBondContact CE-O 3.32Å; K50-V210 PolarHBondContact NZ-O 2.81Å; K50-V210 VanDerWaalsContact NZ-O 3.08Å; L192-V210 HydrophobicContact CD2-CG1 3.68Å; L192-V210 HydrophobicContact CD2-CG2 4.44Å; L205-V210 HydrophobicContact CB-CG2 3.75Å; L205-V210 HydrophobicContact CD1-CG2 4.41Å; L205-V210 HydrophobicContact CD2-CG2 3.67Å; L205-V210 HydrophobicContact CG-CG2 4.13Å; T206-V210 PolarHBondContact O-N 3.06Å; T206-V210 VanDerWaalsContact O-N 3.09Å; V210-I212 HydrophobicContact CG1-CD1 4.24Å; V210-I212 HydrophobicContact CG1-CG1 3.82Å; V210-V229 HydrophobicContact CG1-CG1 4.49Å
211	S	98.5	Very high	96.4	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136	166.7	-168.2	0	0	0	0	108.2	V47 A48 I63 D225	V47-S211 WeakPolarHBondContact CA-O 3.46Å; A48-S211 PolarHBondContact N-O 3.33Å; A48-S211 PolarHBondContact O-N 3.18Å; I63-S211 WeakPolarHBondContact CD1-O 3.41Å; S211-D225 WeakPolarHBondContact CB-OD1 3.42Å; S211-D225 PolarHBondContact OG-OD1 3.37Å
212	I	98.7	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.7	-178.2	-54.2	173.6	0	0	0	108.5	V45 L46 V47 V188 L192 V210 I214 I223 Y224 V229 F232	V45-I212 HydrophobicContact CG1-CG2 4.26Å; L46-I212 CarbonylContact O-C 3.47Å; L46-I212 WeakPolarHBondContact O-CA 3.49Å; V47-I212 HydrophobicContact CG1-CG1 4.39Å; V188-I212 HydrophobicContact CG1-CD1 3.88Å; V188-I212 HydrophobicContact CG1-CG2 4.29Å; L192-I212 HydrophobicContact CD1-CD1 4.34Å; L192-I212 HydrophobicContact CD2-CD1 4.22Å; V210-I212 HydrophobicContact CG1-CD1 4.24Å; V210-I212 HydrophobicContact CG1-CG1 3.82Å; I212-I214 HydrophobicContact CG2-CD1 4.06Å; I212-I214 HydrophobicContact CG2-CG1 3.81Å; I212-I223 CarbonylContact O-C 3.57Å; I212-I223 WeakPolarHBondContact O-CA 3.4Å; I212-Y224 PolarHBondContact N-O 2.7Å; I212-Y224 PolarHBondContact O-N 3.28Å; I212-V229 HydrophobicContact CD1-CB 4.15Å; I212-V229 HydrophobicContact CD1-CG1 3.99Å; I212-V229 HydrophobicContact CG1-CG1 4.03Å; I212-F232 HydrophobicContact CD1-CB 3.88Å; I212-F232 HydrophobicContact CD1-CD2 3.75Å; I212-F232 HydrophobicContact CD1-CG 3.97Å
213	G	98.7	Very high	97.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.2	173.5	0	0	0	0	0	109.7	V45 L46 T222	V45-G213 CarbonylContact C-O 3.57Å; V45-G213 WeakPolarHBondContact CA-O 3.29Å; L46-G213 PolarHBondContact N-O 3.35Å; L46-G213 PolarHBondContact O-N 3.04Å; G213-T222 WeakPolarHBondContact CA-O 3.47Å
214	I	98.7	Very high	97.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.8	-174.9	-50.3	178.1	0	0	0	108.9	V45 L184 V188 I212 L219 F221 T222 Y224 F232	V45-I214 HydrophobicContact CG2-CG1 4.41Å; V45-I214 HydrophobicContact CG2-CG2 4.28Å; L184-I214 HydrophobicContact CD1-CD1 4.21Å; L184-I214 HydrophobicContact CD1-CG2 3.54Å; L184-I214 HydrophobicContact CD2-CD1 4.47Å; L184-I214 HydrophobicContact CD2-CG2 4.27Å; V188-I214 HydrophobicContact CG2-CD1 3.94Å; I212-I214 HydrophobicContact CG2-CD1 4.06Å; I212-I214 HydrophobicContact CG2-CG1 3.81Å; I214-L219 HydrophobicContact CB-CD2 4.3Å; I214-L219 HydrophobicContact CG2-CD2 3.58Å; I214-F221 CarbonylContact O-C 3.57Å; I214-F221 VanDerWaalsContact O-CA 3.29Å; I214-F221 WeakPolarHBondContact O-CA 3.4Å; I214-T222 PolarHBondContact N-O 3.28Å; I214-T222 PolarHBondContact O-N 3.27Å; I214-Y224 HydrophobicContact CB-CE2 4.08Å; I214-Y224 HydrophobicContact CD1-CD2 4.01Å; I214-Y224 HydrophobicContact CD1-CE2 3.58Å; I214-Y224 HydrophobicContact CG1-CD2 4.14Å; I214-Y224 HydrophobicContact CG1-CE2 3.8Å; I214-F232 HydrophobicContact CD1-CE1 4.4Å; I214-F232 HydrophobicContact CD1-CZ 3.92Å
215	V	98.8	Very high	97.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.9	167.8	59.5	0	0	0	0	109.1	H43 A44 A135 F221	H43-V215 CarbonylContact C-O 3.58Å; H43-V215 WeakPolarHBondContact CA-O 3.49Å; A44-V215 HydrophobicContact CB-CG1 3.96Å; A44-V215 PolarHBondContact N-O 3.35Å; A44-V215 PolarHBondContact O-N 2.96Å; A135-V215 HydrophobicContact CB-CG1 4.14Å; V215-F221 HydrophobicContact CB-CB 4.08Å; V215-F221 HydrophobicContact CB-CD2 3.87Å; V215-F221 HydrophobicContact CB-CG 4.48Å; V215-F221 HydrophobicContact CG1-CD2 4.08Å; V215-F221 HydrophobicContact CG2-CB 4.28Å
216	G	98.1	Very high	97.4	Very high	5 Å²	5	47.5 Å²	47.5	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	-169.6	178.9	0	0	0	0	0	113.4	T42 D218 L219	T42-G216 CarbonylContact O-C 3.57Å; T42-G216 WeakPolarHBondContact O-CA 3.22Å; G216-D218 PolarHBondContact O-N 3.22Å; G216-L219 PolarHBondContact N-O 3.1Å; G216-L219 PolarHBondContact O-N 2.93Å; G216-L219 VanDerWaalsContact O-O 3.12Å
217	K	95.5	Very high	97.4	Very high	118 Å²	118	50.7 Å²	50.7	51%	0.513	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	124.3	171.6	-163.8	-178.9	175.5	-179.5	0	109.1	T42 Y137 L219	T42-K217 PolarHBondContact O-N 3.44Å; Y137-K217 HydrophobicContact CE1-CB 4.25Å; Y137-K217 HydrophobicContact CE1-CG 4.43Å; Y137-K217 HydrophobicContact CE2-CB 3.93Å; Y137-K217 VanDerWaalsContact CE2-N 3.34Å; Y137-K217 WeakPolarHBondContact OH-CB 3.45Å; Y137-K217 WeakPolarHBondContact OH-CG 3.27Å; K217-L219 PolarHBondContact O-N 3.46Å
218	D	95.4	Very high	97.4	Very high	156 Å²	156	53.6 Å²	53.6	83%	0.834	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	20.3	-180	-47.5	-48.3	0	0	0	114.3	G216	G216-D218 PolarHBondContact O-N 3.22Å
219	L	97.7	Very high	97.5	Very high	47 Å²	47	47 Å²	47	25%	0.246	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	109.9	176.9	-179.9	64.1	0	0	0	110.6	L184 I214 G216 K217	L184-L219 HydrophobicContact CD2-CD2 4.43Å; I214-L219 HydrophobicContact CB-CD2 4.3Å; I214-L219 HydrophobicContact CG2-CD2 3.58Å; G216-L219 PolarHBondContact N-O 3.1Å; G216-L219 PolarHBondContact O-N 2.93Å; G216-L219 VanDerWaalsContact O-O 3.12Å; K217-L219 PolarHBondContact O-N 3.46Å
220	E	98.3	Very high	97.4	Very high	118 Å²	118	47.2 Å²	47.2	55%	0.551	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	152.8	171.9	-63.8	-166	147.3	0	0	111.4	N68 T222	N68-E220 HydrophobicContact CB-CG 4.2Å; N68-E220 WeakPolarHBondContact CB-OE1 3.41Å; N68-E220 PolarHBondContact ND2-OE1 3.33Å; N68-E220 CarbonylContact O-C 3.55Å; N68-E220 VanDerWaalsContact O-CA 3.26Å; N68-E220 WeakPolarHBondContact O-CA 3.43Å; N68-E220 WeakPolarHBondContact O-CB 3.49Å; E220-T222 PolarHBondContact O-N 3.15Å; E220-T222 PolarHBondContact O-OG1 3.43Å
221	F	98.8	Very high	97.3	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	109.2	-178.1	-176.4	-92.4	0	0	0	110.5	L46 I63 H65 N68 I214 V215 I223	L46-F221 HydrophobicContact CD1-CE2 4.28Å; L46-F221 HydrophobicContact CD1-CZ 4.47Å; I63-F221 HydrophobicContact CG2-CE1 4.08Å; I63-F221 HydrophobicContact CG2-CZ 3.57Å; H65-F221 HydrophobicContact CB-CD1 4.37Å; H65-F221 AromaticContact CD2-CD1 3.81Å; H65-F221 PolarHBondContact CD2-O 3.3Å; N68-F221 PolarHBondContact O-N 3.07Å; I214-F221 CarbonylContact O-C 3.57Å; I214-F221 VanDerWaalsContact O-CA 3.29Å; I214-F221 WeakPolarHBondContact O-CA 3.4Å; V215-F221 HydrophobicContact CB-CB 4.08Å; V215-F221 HydrophobicContact CB-CD2 3.87Å; V215-F221 HydrophobicContact CB-CG 4.48Å; V215-F221 HydrophobicContact CG1-CD2 4.08Å; V215-F221 HydrophobicContact CG2-CB 4.28Å; F221-I223 HydrophobicContact CD1-CG1 4.33Å; F221-I223 HydrophobicContact CE1-CD1 4Å; F221-I223 HydrophobicContact CE1-CG1 3.53Å; F221-I223 HydrophobicContact CZ-CG1 4.19Å
222	T	98.7	Very high	97.1	Very high	52 Å²	52	52.4 Å²	52.4	32%	0.319	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.8	-175.1	-56.1	0	0	0	0	109.7	G213 I214 E220 Y224	G213-T222 WeakPolarHBondContact CA-O 3.47Å; I214-T222 PolarHBondContact N-O 3.28Å; I214-T222 PolarHBondContact O-N 3.27Å; E220-T222 PolarHBondContact O-N 3.15Å; E220-T222 PolarHBondContact O-OG1 3.43Å; T222-Y224 HydrophobicContact CG2-CD2 4.38Å; T222-Y224 HydrophobicContact CG2-CE1 4.18Å; T222-Y224 HydrophobicContact CG2-CE2 3.74Å
223	I	98.6	Very high	96.9	Very high	54 Å²	54	54 Å²	54	28%	0.277	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.5	176.4	-55.7	176.1	0	0	0	108.3	I63 H65 I212 F221	I63-I223 HydrophobicContact CG2-CD1 4Å; I63-I223 HydrophobicContact CG2-CG1 3.93Å; I63-I223 HydrophobicContact CG2-CG2 4.49Å; H65-I223 HydrophobicContact CB-CD1 4.37Å; I212-I223 CarbonylContact O-C 3.57Å; I212-I223 WeakPolarHBondContact O-CA 3.4Å; F221-I223 HydrophobicContact CD1-CG1 4.33Å; F221-I223 HydrophobicContact CE1-CD1 4Å; F221-I223 HydrophobicContact CE1-CG1 3.53Å; F221-I223 HydrophobicContact CZ-CG1 4.19Å
224	Y	98.3	Very high	96.4	Very high	51 Å²	51	62 Å²	62	20%	0.2	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.3	175.6	-54	-98.7	0	0	0	107.9	I212 I214 T222 D228 V229 F232	I212-Y224 PolarHBondContact N-O 2.7Å; I212-Y224 PolarHBondContact O-N 3.28Å; I214-Y224 HydrophobicContact CB-CE2 4.08Å; I214-Y224 HydrophobicContact CD1-CD2 4.01Å; I214-Y224 HydrophobicContact CD1-CE2 3.58Å; I214-Y224 HydrophobicContact CG1-CD2 4.14Å; I214-Y224 HydrophobicContact CG1-CE2 3.8Å; T222-Y224 HydrophobicContact CG2-CD2 4.38Å; T222-Y224 HydrophobicContact CG2-CE1 4.18Å; T222-Y224 HydrophobicContact CG2-CE2 3.74Å; Y224-D228 HydrophobicContact CD1-CB 4.1Å; Y224-V229 WeakPolarHBondContact O-CG1 3.42Å; Y224-F232 HydrophobicContact CD1-CE2 4.13Å; Y224-F232 HydrophobicContact CG-CE2 4.21Å
225	D	96.6	Very high	95.3	Very high	34 Å²	34	63.4 Å²	63.4	18%	0.182	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.9	178.6	-83.2	-48.2	0	0	0	109.4	K50 S211 D227 D228	K50-D225 IonicContact NZ-OD1 3.7Å; K50-D225 PolarHBondContact NZ-OD1 2.99Å; S211-D225 WeakPolarHBondContact CB-OD1 3.42Å; S211-D225 PolarHBondContact OG-OD1 3.37Å; D225-D227 PolarHBondContact O-N 3.25Å; D225-D228 WeakPolarHBondContact O-CB 3.46Å; D225-D228 PolarHBondContact O-N 3.28Å; D225-D228 VanDerWaalsContact O-N 3.13Å
226	D	95.1	Very high	94.7	Very high	85 Å²	85	64.9 Å²	64.9	46%	0.455	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	55.6	-117.8	170.8	-53.3	-42.4	0	0	0	112.5	K50 T207 D228 V229	K50-D226 IonicContact NZ-OD1 3.51Å; T207-D226 VanDerWaalsContact CB-O 3.28Å; T207-D226 WeakPolarHBondContact CB-O 3.46Å; T207-D226 WeakPolarHBondContact O-CA 3.43Å; T207-D226 PolarHBondContact O-N 3.28Å; D226-D228 VanDerWaalsContact C-N 3.26Å; D226-D228 PolarHBondContact O-N 3.12Å; D226-V229 WeakPolarHBondContact O-CG2 3.21Å; D226-V229 PolarHBondContact O-N 3.18Å
227	D	95.2	Very high	93.9	Very high	130 Å²	130	70.7 Å²	70.7	70%	0.695	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-67.3	-29.1	-175.7	-64.2	-26.7	0	0	0	112.3	D225 V229 S230	D225-D227 PolarHBondContact O-N 3.25Å; D227-V229 PolarHBondContact O-N 3.44Å; D227-S230 VanDerWaalsContact O-CB 3.24Å; D227-S230 WeakPolarHBondContact O-CB 3.11Å; D227-S230 PolarHBondContact O-N 2.88Å; D227-S230 PolarHBondContact O-OG 3.15Å
228	D	96	Very high	93.1	Very high	104 Å²	104	73.1 Å²	73.1	56%	0.556	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-69.1	-16.4	-179	-67.3	-35.2	0	0	0	113.1	Y224 D225 D226	Y224-D228 HydrophobicContact CD1-CB 4.1Å; D225-D228 WeakPolarHBondContact O-CB 3.46Å; D225-D228 PolarHBondContact O-N 3.28Å; D225-D228 VanDerWaalsContact O-N 3.13Å; D226-D228 VanDerWaalsContact C-N 3.26Å; D226-D228 PolarHBondContact O-N 3.12Å
229	V	96.8	Very high	92.3	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-86.6	-14	173.5	-57.1	0	0	0	0	113.3	T207 V210 I212 Y224 D226 D227 P231 F232 L233	T207-V229 HydrophobicContact CG2-CG2 4.2Å; V210-V229 HydrophobicContact CG1-CG1 4.49Å; I212-V229 HydrophobicContact CD1-CB 4.15Å; I212-V229 HydrophobicContact CD1-CG1 3.99Å; I212-V229 HydrophobicContact CG1-CG1 4.03Å; Y224-V229 WeakPolarHBondContact O-CG1 3.42Å; D226-V229 WeakPolarHBondContact O-CG2 3.21Å; D226-V229 PolarHBondContact O-N 3.18Å; D227-V229 PolarHBondContact O-N 3.44Å; V229-P231 VanDerWaalsContact C-CD 3.49Å; V229-F232 PolarHBondContact O-N 3.36Å; V229-F232 VanDerWaalsContact O-N 3.08Å; V229-L233 HydrophobicContact CG2-CD1 3.97Å; V229-L233 PolarHBondContact O-N 3.11Å
230	S	95.9	Very high	91	Very high	29 Å²	29	71.5 Å²	71.5	20%	0.203	38%	0.376	C	S	.	.	H	α-helix	trans	-54.9	-45.8	-176.2	-47.7	0	0	0	0	113.3	T207 D227 F232 L233 E234	T207-S230 WeakPolarHBondContact CG2-OG 3.43Å; D227-S230 VanDerWaalsContact O-CB 3.24Å; D227-S230 WeakPolarHBondContact O-CB 3.11Å; D227-S230 PolarHBondContact O-N 2.88Å; D227-S230 PolarHBondContact O-OG 3.15Å; S230-F232 PolarHBondContact O-N 3.26Å; S230-F232 VanDerWaalsContact O-N 3.13Å; S230-L233 PolarHBondContact O-N 3.29Å; S230-E234 WeakPolarHBondContact O-CG 3.49Å; S230-E234 PolarHBondContact O-N 2.85Å
231	P	95	Very high	89.1	Confident	83 Å²	83	74.2 Å²	74.2	54%	0.539	39%	0.389	S	S	.	.	H	α-helix	trans	-59.8	-29.5	179.6	-24.5	35.6	0	0	0	113.6	V229	V229-P231 VanDerWaalsContact C-CD 3.49Å
232	F	94.7	Very high	87	Confident	27 Å²	27	85.4 Å²	85.4	12%	0.118	43%	0.431	C	S	.	.	H	α-helix	trans	-80.4	-27	177.6	-58.2	-70.8	0	0	0	112.4	V188 L192 I212 I214 Y224 V229 S230 L236	V188-F232 HydrophobicContact CB-CD1 4.04Å; V188-F232 HydrophobicContact CB-CE1 4.43Å; V188-F232 HydrophobicContact CG1-CB 3.89Å; V188-F232 HydrophobicContact CG1-CD1 3.6Å; V188-F232 HydrophobicContact CG1-CE1 4.28Å; V188-F232 HydrophobicContact CG1-CG 3.81Å; V188-F232 HydrophobicContact CG2-CD1 4.27Å; V188-F232 HydrophobicContact CG2-CE1 4.18Å; L192-F232 HydrophobicContact CD1-CB 3.96Å; I212-F232 HydrophobicContact CD1-CB 3.88Å; I212-F232 HydrophobicContact CD1-CD2 3.75Å; I212-F232 HydrophobicContact CD1-CG 3.97Å; I214-F232 HydrophobicContact CD1-CE1 4.4Å; I214-F232 HydrophobicContact CD1-CZ 3.92Å; Y224-F232 HydrophobicContact CD1-CE2 4.13Å; Y224-F232 HydrophobicContact CG-CE2 4.21Å; V229-F232 PolarHBondContact O-N 3.36Å; V229-F232 VanDerWaalsContact O-N 3.08Å; S230-F232 PolarHBondContact O-N 3.26Å; S230-F232 VanDerWaalsContact O-N 3.13Å; F232-L236 WeakPolarHBondContact O-CD1 3.21Å
233	L	94.4	Very high	83.9	Confident	33 Å²	33	92.4 Å²	92.4	17%	0.173	46%	0.457	C	S	.	.	H	α-helix	trans	-81.3	-34.6	179.3	-66.9	176.3	0	0	0	112.7	L192 L205 T207 V229 S230 G235 L236	L192-L233 HydrophobicContact CD1-CD2 4.25Å; L192-L233 HydrophobicContact CD2-CD2 4.16Å; L205-L233 HydrophobicContact CB-CD2 4.17Å; T207-L233 HydrophobicContact CG2-CD1 4.1Å; V229-L233 HydrophobicContact CG2-CD1 3.97Å; V229-L233 PolarHBondContact O-N 3.11Å; S230-L233 PolarHBondContact O-N 3.29Å; L233-G235 PolarHBondContact O-N 3.07Å; L233-L236 PolarHBondContact O-N 3.33Å; L233-L236 VanDerWaalsContact O-N 3.13Å
234	E	88.1	Confident	81	Confident	167 Å²	167	94.3 Å²	94.3	78%	0.78	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.8	-174.9	-77	174	-172.2	0	0	115.3	S230	S230-E234 WeakPolarHBondContact O-CG 3.49Å; S230-E234 PolarHBondContact O-N 2.85Å
235	G	76.5	Confident	77.8	Confident	30 Å²	30	100.4 Å²	100.4	31%	0.309	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	18.4	178.4	0	0	0	0	0	114.9	K189 L233	K189-G235 WeakPolarHBondContact CE-O 3.46Å; K189-G235 PolarHBondContact NZ-O 3.32Å; K189-G235 VanDerWaalsContact NZ-O 3.07Å; L233-G235 PolarHBondContact O-N 3.07Å
236	L	85.8	Confident	75	Confident	33 Å²	33	104.4 Å²	104.4	17%	0.173	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-86.3	116.1	174.4	-100.2	74.6	0	0	0	110.7	K189 L192 L205 F232 L233	K189-L236 HydrophobicContact CB-CD1 4.49Å; K189-L236 HydrophobicContact CG-CD1 4Å; L192-L236 HydrophobicContact CB-CD1 4.06Å; L192-L236 HydrophobicContact CB-CD2 3.7Å; L192-L236 HydrophobicContact CB-CG 4.43Å; L192-L236 HydrophobicContact CD1-CD1 3.68Å; L205-L236 HydrophobicContact CD1-CD2 4.23Å; F232-L236 WeakPolarHBondContact O-CD1 3.21Å; L233-L236 PolarHBondContact O-N 3.33Å; L233-L236 VanDerWaalsContact O-N 3.13Å
237	E	81.2	Confident	72.5	Confident	126 Å²	126	104.9 Å²	104.9	59%	0.589	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-56.3	141.4	170.6	-67	152.8	-119.9	0	0	111.4	R193 R196	R193-E237 IonicContact CZ-OE1 2.92Å; R193-E237 IonicContact NH2-OE1 2.68Å; R193-E237 PolarHBondContact NH2-OE1 3.24Å; R196-E237 VanDerWaalsContact CZ-O 3.25Å; R196-E237 PolarHBondContact NH1-O 3.28Å; R196-E237 PolarHBondContact NH2-O 3.18Å
238	E	77.8	Confident	69.9	Low	169 Å²	169	107.4 Å²	107.4	79%	0.79	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-56.1	153.9	173.3	-72.3	-171.4	170.8	0	0	111.7
239	R	78.1	Confident	67.4	Low	53 Å²	53	108.2 Å²	108.2	20%	0.2	57%	0.573	C	S	.	*	P	Polyproline II helix	trans	-62.5	135.4	174.5	-85.6	-178.4	-100.7	-166.1	-7.4	109.2	P200 Q203 D204 Q241	P200-R239 PolarHBondContact O-NH1 3.23Å; Q203-R239 PolarHBondContact O-NH2 3.36Å; D204-R239 IonicContact OD1-CZ 3.94Å; D204-R239 IonicContact OD1-NE 3.64Å; D204-R239 IonicContact OD1-NH2 3.24Å; D204-R239 PolarHBondContact OD1-NH2 2.72Å; R239-Q241 PolarHBondContact O-N 3.03Å
240	P	71	Confident	65.1	Low	117 Å²	117	112.9 Å²	112.9	76%	0.76	61%	0.612	S	S	*	*			trans	-58.7	112.9	167.9	22.8	-29.5	0	0	0	107.8	R242	P240-R242 PolarHBondContact O-N 3.21Å
241	Q	59.4	Low	62.8	Low	174 Å²	174	119.1 Å²	119.1	81%	0.813	64%	0.643	S	S	*	*			trans	-59	109.8	175.3	-69.5	-178.5	-0.5	0	0	107.3	R239 K243	R239-Q241 PolarHBondContact O-N 3.03Å; Q241-K243 PolarHBondContact O-N 3.23Å
242	R	53.1	Low	60.5	Low	243 Å²	243	123.8 Å²	123.8	92%	0.917	66%	0.657	S	S	*	*			trans	-61.4	106.4	167.1	-83.6	-177.7	168.5	-178.8	-3.4	105.9	P240 A244	P240-R242 PolarHBondContact O-N 3.21Å; R242-A244 PolarHBondContact O-N 3.31Å
243	K	34.2	Very low	58.3	Low	198 Å²	198	128.6 Å²	128.6	86%	0.861	69%	0.691	S	S	*	*			trans	-51.9	109.1	166	-75.1	-176.3	177.8	-179.4	0	106.3	Q241 Q245	Q241-K243 PolarHBondContact O-N 3.23Å; K243-Q245 PolarHBondContact O-N 3.04Å
244	A	37.1	Very low	56	Low	94 Å²	94	131.3 Å²	131.3	78%	0.777	72%	0.719	S	S	*	*			trans	-55.6	114.1	169	0	0	0	0	0	106.1	R242	R242-A244 PolarHBondContact O-N 3.31Å
245	Q	32.9	Very low	53.8	Low	179 Å²	179	132.8 Å²	132.8	84%	0.836	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-60.7	127.5	167.3	-77.1	175.4	-2.7	0	0	106.1	K243 A247	K243-Q245 PolarHBondContact O-N 3.04Å; Q245-A247 PolarHBondContact O-N 3.19Å; Q245-A247 VanDerWaalsContact O-N 3.14Å
246	P	37.7	Very low	52.5	Low	118 Å²	118	141 Å²	141	77%	0.766	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-57.4	124.7	173.9	20.9	-27.7	0	0	0	107.5	Q248	P246-Q248 PolarHBondContact O-N 3.2Å
247	A	40.9	Very low	50.6	Low	96 Å²	96	144.1 Å²	144.1	79%	0.793	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-52.5	117.2	171.7	0	0	0	0	0	107.4	Q245	Q245-A247 PolarHBondContact O-N 3.19Å; Q245-A247 VanDerWaalsContact O-N 3.14Å
248	Q	40.7	Very low	48.9	Very low	183 Å²	183	146 Å²	146	86%	0.855	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-58.6	131.5	170.1	-78.3	172.6	-12.6	0	0	107.3	P246 A250	P246-Q248 PolarHBondContact O-N 3.2Å; Q248-A250 PolarHBondContact O-N 3.08Å
249	P	45.3	Very low	47.6	Very low	120 Å²	120	146.7 Å²	146.7	78%	0.779	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-58.5	128.6	172.6	23.9	-29.6	0	0	0	107.7	D251	P249-D251 PolarHBondContact O-N 3.12Å; P249-D251 VanDerWaalsContact O-N 3.15Å
250	A	48.2	Very low	46.1	Very low	98 Å²	98	150 Å²	150	81%	0.81	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-57.9	118.5	174.6	0	0	0	0	0	108.4	Q248 E252	Q248-A250 PolarHBondContact O-N 3.08Å; A250-E252 PolarHBondContact O-N 2.82Å
251	D	47.7	Very low	45.2	Very low	161 Å²	161	153.5 Å²	153.5	86%	0.861	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-53.5	125	168.5	-87.2	-39.2	0	0	0	108.9	P249	P249-D251 PolarHBondContact O-N 3.12Å; P249-D251 VanDerWaalsContact O-N 3.15Å
252	E	46.5	Very low	44.8	Very low	181 Å²	181	153.9 Å²	153.9	85%	0.846	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-55.7	134.9	171.7	-70.5	177.6	147.2	0	0	109.6	A250 A254	A250-E252 PolarHBondContact O-N 2.82Å; E252-A254 PolarHBondContact O-N 2.72Å
253	P	47.1	Very low	44.8	Very low	127 Å²	127	155.1 Å²	155.1	83%	0.825	85%	0.854	S	S	*	*			trans	-69.4	110.5	175.4	27.6	-30.4	0	0	0	108.9	E255	P253-E255 PolarHBondContact O-N 3.47Å
254	A	46.2	Very low	45.4	Very low	91 Å²	91	153 Å²	153	75%	0.752	85%	0.854	S	S	*	*			trans	-58.3	123.7	171	0	0	0	0	0	110.5	E252 K256	E252-A254 PolarHBondContact O-N 2.72Å; A254-K256 PolarHBondContact O-N 3.44Å
255	E	42.1	Very low	45.8	Very low	197 Å²	197	156.1 Å²	156.1	92%	0.921	86%	0.858	S	S	*	*			trans	-49.5	119.7	167.1	-75.1	175.5	140.4	0	0	110.2	P253	P253-E255 PolarHBondContact O-N 3.47Å
256	K	48.9	Very low	46.5	Very low	204 Å²	204	154.8 Å²	154.8	89%	0.887	86%	0.859	S	S	*	*			trans	-119.8	113.2	158.9	-83.7	-171	176.3	-179.7	0	109.1	A254	A254-K256 PolarHBondContact O-N 3.44Å
257	A	46.7	Very low	47.1	Very low	98 Å²	98	156.9 Å²	156.9	81%	0.81	87%	0.865	S	S	*	*			trans	-24.8	134	171.8	0	0	0	0	0	116.6
258	D	45.2	Very low	47.4	Very low	165 Å²	165	160.8 Å²	160.8	88%	0.882	87%	0.869	S	S	*	*			trans	-51.4	126.5	154.9	-87.4	-41.2	0	0	0	111.2
259	E	50.3	Low	47.9	Very low	184 Å²	184	159.3 Å²	159.3	86%	0.86	87%	0.87	S	S	*	*			trans	-131.4	126.5	147.1	-81.9	-170.5	164.1	0	0	108.1
260	P	47	Very low	48.1	Very low	121 Å²	121	162.1 Å²	162.1	79%	0.786	88%	0.877	S	S	*	*			trans	-87.5	138.6	-178.4	34.4	-30	0	0	0	110.1
261	M	51.9	Low	48.1	Very low	192 Å²	192	167 Å²	167	95%	0.946	88%	0.882	S	S	*	*			trans	-129.7	119.8	158.4	-83.8	-134.2	-71.6	0	0	110.9
262	E	51.2	Low	48.1	Very low	182 Å²	182	167.5 Å²	167.5	85%	0.85	88%	0.884	S	S	*	*			trans	-59.5	137.2	168.5	-59.6	174.2	145.5	0	0	111.1
263	H	54.1	Low	48.2	Very low	268 Å²	268	166.3 Å²	166.3	100%	1.241	89%	0.887	S	S	*	*			trans	-163.6	0	130.9	-89.8	-50.3	0	0	0	109.7

Retrieved 263 of 263 residues in 712.3 ms (Link to these results)

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