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Proteasome subunit alpha type

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 (A0A673XGL1), UniProt , Accession A0A060X1B5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene PSMA6, Length 246 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	50.9	Low	80.8	Confident	203 Å²	203	89.7 Å²	89.7	100%	1	51%	0.505	S	S	*	.				0	109.8	0	-71.9	-126.6	-81.2	0	0	107.6	R3	M1-R3 PolarHBondContact O-N 2.78Å; M1-R3 VanDerWaalsContact O-N 3.16Å
2	S	59	Low	81.9	Confident	67 Å²	67	93.5 Å²	93.5	47%	0.469	52%	0.515	S	S	.	.			trans	-62.6	107.1	170.3	31.5	0	0	0	0	108.2	S5 E19	S2-S5 VanDerWaalsContact CB-OG 3.24Å; S2-S5 WeakPolarHBondContact CB-OG 3.28Å; S2-E19 WeakPolarHBondContact O-CG 3.33Å
3	R	72.4	Confident	83	Confident	211 Å²	211	91.1 Å²	91.1	80%	0.796	50%	0.5	S	S	*	.	S	Bend	trans	-119.9	109.9	173.5	-79	-172	173.6	-178.8	-1.4	108.4	M1 S5 E19	M1-R3 PolarHBondContact O-N 2.78Å; M1-R3 VanDerWaalsContact O-N 3.16Å; R3-S5 VanDerWaalsContact C-N 3.27Å; R3-S5 PolarHBondContact O-N 2.79Å; R3-E19 VanDerWaalsContact C-OE1 3.23Å; R3-E19 VanDerWaalsContact CA-OE1 3.29Å; R3-E19 WeakPolarHBondContact CA-OE1 3.34Å; R3-E19 PolarHBondContact N-OE1 2.92Å
4	G	71.9	Confident	83.9	Confident	40 Å²	40	85.6 Å²	85.6	41%	0.412	47%	0.47	S	S	.	.	S	Bend	trans	69.6	17.1	-176.9	0	0	0	0	0	115	E19	G4-E19 WeakPolarHBondContact CA-OE1 3.49Å; G4-E19 PolarHBondContact N-OE1 3.34Å
5	S	81.8	Confident	84.7	Confident	41 Å²	41	84.4 Å²	84.4	29%	0.287	46%	0.462	S	S	.	.			trans	-71.2	137.8	-178	58.3	0	0	0	0	111	S2 R3 E19	S2-S5 VanDerWaalsContact CB-OG 3.24Å; S2-S5 WeakPolarHBondContact CB-OG 3.28Å; R3-S5 VanDerWaalsContact C-N 3.27Å; R3-S5 PolarHBondContact O-N 2.79Å; S5-E19 PolarHBondContact N-OE1 2.92Å
6	S	88.3	Confident	85.5	Confident	58 Å²	58	88.6 Å²	88.6	41%	0.406	48%	0.475	S	S	.	.			trans	-118.9	141.2	177.7	179.3	0	0	0	0	108.9	D10 R11	S6-D10 VanDerWaalsContact CA-OD2 3.3Å; S6-D10 WeakPolarHBondContact CA-OD2 3.45Å; S6-D10 PolarHBondContact OG-OD1 2.84Å; S6-R11 PolarHBondContact OG-NE 2.87Å
7	A	89.3	Confident	86.1	Confident	54 Å²	54	83.7 Å²	83.7	45%	0.446	45%	0.449	S	S	.	.			trans	-136.5	133.6	176.9	0	0	0	0	0	110.8	F9 D10 P18	A7-F9 PolarHBondContact O-N 2.75Å; A7-D10 PolarHBondContact N-OD2 3.39Å; A7-D10 WeakPolarHBondContact O-CB 3.29Å; A7-D10 PolarHBondContact O-N 2.84Å; A7-P18 HydrophobicContact CB-CG 3.75Å
8	G	92.9	Very high	86.6	Confident	72 Å²	72	83.2 Å²	83.2	74%	0.742	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-123.3	178.1	0	0	0	0	0	112.8
9	F	94.2	Very high	87	Confident	141 Å²	141	81.9 Å²	81.9	62%	0.618	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	18.5	-175.2	-60.8	-73.3	0	0	0	113.9	A7 R11 H12 I13 I15	A7-F9 PolarHBondContact O-N 2.75Å; F9-R11 PolarHBondContact O-N 2.97Å; F9-H12 PolarHBondContact O-N 2.67Å; F9-I13 HydrophobicContact CB-CD1 4.28Å; F9-I13 HydrophobicContact CB-CG1 4.09Å; F9-I13 PolarHBondContact O-N 3.11Å; F9-I13 VanDerWaalsContact O-N 3.16Å; F9-I15 HydrophobicContact CB-CD1 4.45Å
10	D	93.6	Very high	87.3	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.005	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.4	-175.5	66.9	0.5	0	0	0	115.6	S6 A7 I15 S17 P18	S6-D10 VanDerWaalsContact CA-OD2 3.3Å; S6-D10 WeakPolarHBondContact CA-OD2 3.45Å; S6-D10 PolarHBondContact OG-OD1 2.84Å; A7-D10 PolarHBondContact N-OD2 3.39Å; A7-D10 WeakPolarHBondContact O-CB 3.29Å; A7-D10 PolarHBondContact O-N 2.84Å; D10-I15 HydrophobicContact CB-CD1 4.44Å; D10-I15 HydrophobicContact CB-CG1 4.08Å; D10-S17 WeakPolarHBondContact OD2-CB 3.43Å; D10-P18 WeakPolarHBondContact OD2-CD 3.46Å
11	R	94.3	Very high	87.7	Confident	99 Å²	99	81 Å²	81	37%	0.374	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-11.7	172.7	-69.7	-179.9	-179.5	-120.8	1.5	114.6	S6 F9 Y23 Q24	S6-R11 PolarHBondContact OG-NE 2.87Å; F9-R11 PolarHBondContact O-N 2.97Å; R11-Y23 HydrophobicContact CG-CD2 3.76Å; R11-Y23 HydrophobicContact CG-CE2 4.29Å; R11-Y23 HydrophobicContact CG-CG 4.27Å; R11-Q24 PolarHBondContact O-NE2 2.89Å
12	H	94.3	Very high	89.9	Confident	135 Å²	135	73.3 Å²	73.3	63%	0.625	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-35.8	-173.3	-63.6	86.4	0	0	0	112.6	F9	F9-H12 PolarHBondContact O-N 2.67Å
13	I	95.8	Very high	91.7	Very high	62 Å²	62	70.5 Å²	70.5	32%	0.318	38%	0.384	S	S	.	.	S	Bend	trans	-126.9	168.9	-179.7	59.9	172.3	0	0	0	110.4	F9 I15 A129	F9-I13 HydrophobicContact CB-CD1 4.28Å; F9-I13 HydrophobicContact CB-CG1 4.09Å; F9-I13 PolarHBondContact O-N 3.11Å; F9-I13 VanDerWaalsContact O-N 3.16Å; I13-I15 HydrophobicContact CD1-CD1 4.27Å; I13-I15 HydrophobicContact CD1-CG2 3.86Å; I13-I15 HydrophobicContact CG1-CD1 4.21Å; I13-I15 HydrophobicContact CG1-CG1 4.07Å; I13-I15 HydrophobicContact CG1-CG2 4.04Å; I13-I15 PolarHBondContact O-N 3.49Å; I13-A129 HydrophobicContact CB-CB 4.27Å; I13-A129 HydrophobicContact CD1-CB 4.38Å
14	T	95.4	Very high	92.9	Very high	14 Å²	14	62.6 Å²	62.6	9%	0.086	36%	0.356	C	S	.	.	S	Bend	trans	-79.9	55.3	-175.3	51.6	0	0	0	0	113.1	Q24 T126 N128 A129	T14-Q24 HydrophobicContact CG2-CB 3.99Å; T14-T126 VanDerWaalsContact CB-O 3.29Å; T14-T126 WeakPolarHBondContact CB-O 3.2Å; T14-N128 PolarHBondContact OG1-O 3Å; T14-A129 WeakPolarHBondContact OG1-CA 3.28Å
15	I	96.5	Very high	94.1	Very high	68 Å²	68	61.3 Å²	61.3	35%	0.349	34%	0.34	S	S	.	.			trans	-108.2	157.5	171.9	65.7	177.2	0	0	0	110.8	F9 D10 I13 L22	F9-I15 HydrophobicContact CB-CD1 4.45Å; D10-I15 HydrophobicContact CB-CD1 4.44Å; D10-I15 HydrophobicContact CB-CG1 4.08Å; I13-I15 HydrophobicContact CD1-CD1 4.27Å; I13-I15 HydrophobicContact CD1-CG2 3.86Å; I13-I15 HydrophobicContact CG1-CD1 4.21Å; I13-I15 HydrophobicContact CG1-CG1 4.07Å; I13-I15 HydrophobicContact CG1-CG2 4.04Å; I13-I15 PolarHBondContact O-N 3.49Å; I15-L22 WeakPolarHBondContact O-CD2 3.34Å
16	F	97.2	Very high	94.8	Very high	151 Å²	151	62.1 Å²	62.1	66%	0.662	34%	0.339	S	S	*	.			trans	-67	136.4	178.1	-69.7	-69.8	0	0	0	112.1	L22	F16-L22 HydrophobicContact CD1-CD2 3.9Å; F16-L22 HydrophobicContact CD1-CG 4.29Å; F16-L22 HydrophobicContact CE1-CD2 4.11Å; F16-L22 HydrophobicContact CE1-CG 4.21Å; F16-L22 HydrophobicContact CG-CD2 4.34Å
17	S	95.8	Very high	95.2	Very high	6 Å²	6	63 Å²	63	4%	0.042	33%	0.334	C	S	.	.			trans	-73.4	167	163.5	79.1	0	0	0	0	111.1	D10 E19 G20 R21	D10-S17 WeakPolarHBondContact OD2-CB 3.43Å; S17-E19 PolarHBondContact O-N 3.02Å; S17-E19 PolarHBondContact OG-N 3.2Å; S17-G20 PolarHBondContact O-N 3.34Å; S17-R21 PolarHBondContact N-O 3.16Å; S17-R21 PolarHBondContact OG-N 2.68Å
18	P	95.1	Very high	95.6	Very high	74 Å²	74	60.8 Å²	60.8	48%	0.481	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.1	172.4	-25.6	35.1	0	0	0	114.9	A7 D10	A7-P18 HydrophobicContact CB-CG 3.75Å; D10-P18 WeakPolarHBondContact OD2-CD 3.46Å
19	E	93.5	Very high	95.8	Very high	59 Å²	59	61.2 Å²	61.2	28%	0.276	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	3.5	176.3	-69	168.6	-149	0	0	112.9	S2 R3 G4 S5 S17 R21	S2-E19 WeakPolarHBondContact O-CG 3.33Å; R3-E19 VanDerWaalsContact C-OE1 3.23Å; R3-E19 VanDerWaalsContact CA-OE1 3.29Å; R3-E19 WeakPolarHBondContact CA-OE1 3.34Å; R3-E19 PolarHBondContact N-OE1 2.92Å; G4-E19 WeakPolarHBondContact CA-OE1 3.49Å; G4-E19 PolarHBondContact N-OE1 3.34Å; S5-E19 PolarHBondContact N-OE1 2.92Å; S17-E19 PolarHBondContact O-N 3.02Å; S17-E19 PolarHBondContact OG-N 3.2Å; E19-R21 HydrophobicContact CB-CG 4.23Å; E19-R21 IonicContact OE2-NH1 3.67Å
20	G	94.1	Very high	95.9	Very high	51 Å²	51	60.8 Å²	60.8	53%	0.526	30%	0.296	S	S	.	.	S	Bend	trans	75.4	22.2	-177	0	0	0	0	0	114	S17	S17-G20 PolarHBondContact O-N 3.34Å
21	R	95.6	Very high	96.1	Very high	93 Å²	93	61.2 Å²	61.2	35%	0.351	30%	0.299	S	S	.	.			trans	-100.4	154.9	-178.9	-60.3	169.7	60.5	-178.7	4.4	111.5	S17 E19 E26	S17-R21 PolarHBondContact N-O 3.16Å; S17-R21 PolarHBondContact OG-N 2.68Å; E19-R21 HydrophobicContact CB-CG 4.23Å; E19-R21 IonicContact OE2-NH1 3.67Å; R21-E26 IonicContact CZ-OE1 2.75Å; R21-E26 IonicContact CZ-OE2 3.96Å; R21-E26 IonicContact NE-OE1 3.63Å; R21-E26 PolarHBondContact NE-OE1 3.41Å; R21-E26 IonicContact NE-OE2 2.83Å; R21-E26 IonicContact NH2-OE1 3.19Å; R21-E26 PolarHBondContact NH2-OE1 2.81Å; R21-E26 IonicContact NH2-OE2 3.68Å; R21-E26 PolarHBondContact NH2-OE2 2.95Å
22	L	96.7	Very high	96.2	Very high	43 Å²	43	57 Å²	57	23%	0.225	28%	0.284	C	S	.	.			trans	-112	94.5	172.4	-65	177.7	0	0	0	109.8	I15 F16 Q24 V25 E26	I15-L22 WeakPolarHBondContact O-CD2 3.34Å; F16-L22 HydrophobicContact CD1-CD2 3.9Å; F16-L22 HydrophobicContact CD1-CG 4.29Å; F16-L22 HydrophobicContact CE1-CD2 4.11Å; F16-L22 HydrophobicContact CE1-CG 4.21Å; F16-L22 HydrophobicContact CG-CD2 4.34Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 2.81Å; L22-V25 HydrophobicContact CB-CB 4.16Å; L22-V25 HydrophobicContact CB-CG2 3.85Å; L22-V25 HydrophobicContact CD1-CG2 4.14Å; L22-V25 PolarHBondContact O-N 3.37Å; L22-V25 VanDerWaalsContact O-N 3.15Å; L22-E26 PolarHBondContact O-N 3.44Å
23	Y	96.8	Very high	96.3	Very high	8 Å²	8	54 Å²	54	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-36	-174.3	-71.8	-58.1	0	0	0	113.3	R11 V25 E26 Y27	R11-Y23 HydrophobicContact CG-CD2 3.76Å; R11-Y23 HydrophobicContact CG-CE2 4.29Å; R11-Y23 HydrophobicContact CG-CG 4.27Å; Y23-V25 VanDerWaalsContact C-N 3.27Å; Y23-V25 PolarHBondContact O-N 2.83Å; Y23-E26 WeakPolarHBondContact O-CB 3.25Å; Y23-E26 PolarHBondContact O-N 3.35Å; Y23-Y27 VanDerWaalsContact O-CD1 3.23Å; Y23-Y27 WeakPolarHBondContact O-CD1 3.27Å; Y23-Y27 PolarHBondContact O-N 3.26Å
24	Q	97.4	Very high	96.1	Very high	45 Å²	45	58 Å²	58	21%	0.21	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-34.1	176.8	-78.3	-64.1	-41.2	0	0	112.9	R11 T14 L22 Y27 A28	R11-Q24 PolarHBondContact O-NE2 2.89Å; T14-Q24 HydrophobicContact CG2-CB 3.99Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 2.81Å; Q24-Y27 PolarHBondContact O-N 3.11Å; Q24-A28 PolarHBondContact O-N 3.18Å
25	V	97.3	Very high	95.7	Very high	13 Å²	13	59.1 Å²	59.1	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-70.5	-43.2	174.7	-179.5	0	0	0	0	110.5	L22 Y23 Y27 A28 F29 T126 P133 A157	L22-V25 HydrophobicContact CB-CB 4.16Å; L22-V25 HydrophobicContact CB-CG2 3.85Å; L22-V25 HydrophobicContact CD1-CG2 4.14Å; L22-V25 PolarHBondContact O-N 3.37Å; L22-V25 VanDerWaalsContact O-N 3.15Å; Y23-V25 VanDerWaalsContact C-N 3.27Å; Y23-V25 PolarHBondContact O-N 2.83Å; V25-Y27 PolarHBondContact O-N 2.86Å; V25-A28 WeakPolarHBondContact O-CB 3.28Å; V25-A28 PolarHBondContact O-N 3.4Å; V25-A28 VanDerWaalsContact O-N 3.1Å; V25-F29 HydrophobicContact CG1-CD2 4.29Å; V25-F29 HydrophobicContact CG1-CE2 4Å; V25-F29 WeakPolarHBondContact O-CD2 3.31Å; V25-F29 PolarHBondContact O-N 3.03Å; V25-F29 VanDerWaalsContact O-N 3.1Å; V25-T126 HydrophobicContact CG2-CG2 3.89Å; V25-P133 HydrophobicContact CG2-CG 4.23Å; V25-A157 HydrophobicContact CG1-CB 3.63Å
26	E	97	Very high	95.6	Very high	57 Å²	57	57.3 Å²	57.3	27%	0.266	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-34.2	174.6	-62.3	-180	-170.6	0	0	112.5	R21 L22 Y23 F29 K30	R21-E26 IonicContact CZ-OE1 2.75Å; R21-E26 IonicContact CZ-OE2 3.96Å; R21-E26 IonicContact NE-OE1 3.63Å; R21-E26 PolarHBondContact NE-OE1 3.41Å; R21-E26 IonicContact NE-OE2 2.83Å; R21-E26 IonicContact NH2-OE1 3.19Å; R21-E26 PolarHBondContact NH2-OE1 2.81Å; R21-E26 IonicContact NH2-OE2 3.68Å; R21-E26 PolarHBondContact NH2-OE2 2.95Å; L22-E26 PolarHBondContact O-N 3.44Å; Y23-E26 WeakPolarHBondContact O-CB 3.25Å; Y23-E26 PolarHBondContact O-N 3.35Å; E26-F29 PolarHBondContact O-N 3.08Å; E26-K30 PolarHBondContact O-N 3.24Å
27	Y	97.4	Very high	95.5	Very high	76 Å²	76	50.9 Å²	50.9	30%	0.298	28%	0.275	S	S	.	.	H	α-helix	trans	-70.1	-36.9	175.1	-60.9	-11.3	0	0	0	111.4	Y23 Q24 V25 F29 K30 A31	Y23-Y27 VanDerWaalsContact O-CD1 3.23Å; Y23-Y27 WeakPolarHBondContact O-CD1 3.27Å; Y23-Y27 PolarHBondContact O-N 3.26Å; Q24-Y27 PolarHBondContact O-N 3.11Å; V25-Y27 PolarHBondContact O-N 2.86Å; Y27-F29 VanDerWaalsContact C-N 3.32Å; Y27-F29 PolarHBondContact O-N 3.12Å; Y27-K30 WeakPolarHBondContact O-CB 2.98Å; Y27-K30 PolarHBondContact O-N 3.49Å; Y27-K30 VanDerWaalsContact O-N 3.1Å; Y27-A31 PolarHBondContact O-N 3.28Å
28	A	97.3	Very high	95.6	Very high	9 Å²	9	50.7 Å²	50.7	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-38.3	173.1	0	0	0	0	0	112.2	Q24 V25 K30 A31 I32 P133 P156	Q24-A28 PolarHBondContact O-N 3.18Å; V25-A28 WeakPolarHBondContact O-CB 3.28Å; V25-A28 PolarHBondContact O-N 3.4Å; V25-A28 VanDerWaalsContact O-N 3.1Å; A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 3.05Å; A28-A31 VanDerWaalsContact O-CB 3.3Å; A28-A31 WeakPolarHBondContact O-CB 3.47Å; A28-A31 PolarHBondContact O-N 2.82Å; A28-A31 VanDerWaalsContact O-N 3.09Å; A28-I32 PolarHBondContact O-N 3Å; A28-P133 HydrophobicContact CB-CB 4Å; A28-P156 HydrophobicContact CB-CB 3.77Å; A28-P156 HydrophobicContact CB-CG 4.23Å
29	F	96.7	Very high	95.8	Very high	81 Å²	81	47.1 Å²	47.1	36%	0.355	25%	0.25	S	S	.	.	H	α-helix	trans	-61.1	-39.2	171.7	-82.2	-77.3	0	0	0	112.7	V25 E26 Y27 A31 I32 D155 A157	V25-F29 HydrophobicContact CG1-CD2 4.29Å; V25-F29 HydrophobicContact CG1-CE2 4Å; V25-F29 WeakPolarHBondContact O-CD2 3.31Å; V25-F29 PolarHBondContact O-N 3.03Å; V25-F29 VanDerWaalsContact O-N 3.1Å; E26-F29 PolarHBondContact O-N 3.08Å; Y27-F29 VanDerWaalsContact C-N 3.32Å; Y27-F29 PolarHBondContact O-N 3.12Å; F29-A31 VanDerWaalsContact C-N 3.29Å; F29-A31 PolarHBondContact O-N 3.41Å; F29-I32 HydrophobicContact CD1-CD1 4Å; F29-I32 WeakPolarHBondContact O-CB 3.39Å; F29-I32 PolarHBondContact O-N 2.79Å; F29-D155 HydrophobicContact CE1-CB 3.75Å; F29-D155 HydrophobicContact CZ-CB 3.82Å; F29-A157 HydrophobicContact CE2-CB 4.06Å; F29-A157 HydrophobicContact CZ-CB 4.27Å
30	K	96.6	Very high	96	Very high	132 Å²	132	44.3 Å²	44.3	57%	0.574	24%	0.237	S	C	*	.	H	α-helix	trans	-67	-32.1	173.8	-66.6	176.4	-178.2	178.4	0	112.1	E26 Y27 A28 I32 N33	E26-K30 PolarHBondContact O-N 3.24Å; Y27-K30 WeakPolarHBondContact O-CB 2.98Å; Y27-K30 PolarHBondContact O-N 3.49Å; Y27-K30 VanDerWaalsContact O-N 3.1Å; A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 3.05Å; K30-I32 VanDerWaalsContact C-N 3.27Å; K30-I32 PolarHBondContact O-N 3.12Å; K30-N33 WeakPolarHBondContact O-CB 3.45Å; K30-N33 PolarHBondContact O-N 3.14Å; K30-N33 VanDerWaalsContact O-N 3.13Å
31	A	96.9	Very high	96.2	Very high	10 Å²	10	41.9 Å²	41.9	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-31.6	176.7	0	0	0	0	0	112.4	Y27 A28 F29 N33 Q34 M83	Y27-A31 PolarHBondContact O-N 3.28Å; A28-A31 VanDerWaalsContact O-CB 3.3Å; A28-A31 WeakPolarHBondContact O-CB 3.47Å; A28-A31 PolarHBondContact O-N 2.82Å; A28-A31 VanDerWaalsContact O-N 3.09Å; F29-A31 VanDerWaalsContact C-N 3.29Å; F29-A31 PolarHBondContact O-N 3.41Å; A31-N33 PolarHBondContact O-N 3.45Å; A31-Q34 WeakPolarHBondContact O-CB 3.47Å; A31-Q34 PolarHBondContact O-N 3.07Å; A31-M83 HydrophobicContact CB-CG 4.47Å; A31-M83 HydrophobicContact CB-SD 4.14Å
32	I	96.9	Very high	96.3	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.046	20%	0.195	C	C	.	.	H	α-helix	trans	-56.3	-38.4	173.3	-60.1	166.2	0	0	0	110.8	A28 F29 K30 Q34 G82 C137 P156	A28-I32 PolarHBondContact O-N 3Å; F29-I32 HydrophobicContact CD1-CD1 4Å; F29-I32 WeakPolarHBondContact O-CB 3.39Å; F29-I32 PolarHBondContact O-N 2.79Å; K30-I32 VanDerWaalsContact C-N 3.27Å; K30-I32 PolarHBondContact O-N 3.12Å; I32-Q34 VanDerWaalsContact C-N 3.3Å; I32-Q34 PolarHBondContact O-N 3.05Å; I32-G82 WeakPolarHBondContact O-CA 3.32Å; I32-C137 HydrophobicContact CD1-CB 3.82Å; I32-C137 HydrophobicContact CG1-CB 4.37Å; I32-C137 HydrophobicContact CG2-CB 4.4Å; I32-P156 HydrophobicContact CD1-CG 3.9Å; I32-P156 HydrophobicContact CG1-CG 4.38Å
33	N	95.6	Very high	96.3	Very high	74 Å²	74	38.5 Å²	38.5	40%	0.396	20%	0.196	S	C	.	.	H	α-helix	trans	-76.1	-16.4	-178	-64.1	-23.4	0	0	0	113.3	K30 A31 G35 G36 G169 V170	K30-N33 WeakPolarHBondContact O-CB 3.45Å; K30-N33 PolarHBondContact O-N 3.14Å; K30-N33 VanDerWaalsContact O-N 3.13Å; A31-N33 PolarHBondContact O-N 3.45Å; N33-G35 PolarHBondContact O-N 3.27Å; N33-G36 PolarHBondContact O-N 2.87Å; N33-G36 VanDerWaalsContact O-N 3.15Å; N33-G169 PolarHBondContact OD1-O 3.44Å; N33-V170 HydrophobicContact CB-CG2 4.22Å; N33-V170 VanDerWaalsContact O-CG2 3.3Å; N33-V170 WeakPolarHBondContact O-CG2 3.28Å; N33-V170 PolarHBondContact OD1-N 3.39Å
34	Q	92.3	Very high	96.2	Very high	146 Å²	146	38.4 Å²	38.4	68%	0.682	20%	0.198	S	C	*	.	H	α-helix	trans	-65.8	-25.1	177.8	-65.1	178.6	7.1	0	0	112.4	A31 I32 G36	A31-Q34 WeakPolarHBondContact O-CB 3.47Å; A31-Q34 PolarHBondContact O-N 3.07Å; I32-Q34 VanDerWaalsContact C-N 3.3Å; I32-Q34 PolarHBondContact O-N 3.05Å; Q34-G36 PolarHBondContact O-N 3.49Å
35	G	87.3	Confident	96.1	Very high	37 Å²	37	41.4 Å²	41.4	38%	0.381	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.5	175.2	0	0	0	0	0	113.5	N33 L37	N33-G35 PolarHBondContact O-N 3.27Å; G35-L37 WeakPolarHBondContact O-CG 3Å; G35-L37 PolarHBondContact O-N 3.04Å
36	G	93.4	Very high	95.9	Very high	30 Å²	30	44.7 Å²	44.7	31%	0.309	23%	0.229	S	C	.	.			trans	67.8	15.8	176.4	0	0	0	0	0	114.3	N33 Q34 K55	N33-G36 PolarHBondContact O-N 2.87Å; N33-G36 VanDerWaalsContact O-N 3.15Å; Q34-G36 PolarHBondContact O-N 3.49Å; G36-K55 PolarHBondContact O-NZ 2.71Å
37	L	96.4	Very high	95.9	Very high	16 Å²	16	42 Å²	42	8%	0.084	22%	0.217	C	C	.	.			trans	-114.9	154.1	-179	-57.2	175.3	0	0	0	110.3	G35 Q53 K55 H68 G169 V170	G35-L37 WeakPolarHBondContact O-CG 3Å; G35-L37 PolarHBondContact O-N 3.04Å; L37-Q53 HydrophobicContact CD2-CB 3.96Å; L37-K55 HydrophobicContact CD2-CB 4.37Å; L37-K55 HydrophobicContact CD2-CD 3.7Å; L37-K55 HydrophobicContact CD2-CG 3.91Å; L37-H68 WeakPolarHBondContact CD1-CE1 3.47Å; L37-H68 WeakPolarHBondContact CD1-NE2 3.4Å; L37-G169 WeakPolarHBondContact O-CA 3.39Å; L37-V170 PolarHBondContact O-N 3.1Å; L37-V170 VanDerWaalsContact O-N 3.13Å
38	T	98	Very high	96	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.9	167.4	-55.5	0	0	0	0	108.2	K171 L202	T38-K171 HydrophobicContact CG2-CB 4.02Å; T38-K171 WeakPolarHBondContact OG1-CB 3.2Å; T38-K171 PolarHBondContact OG1-N 3.17Å; T38-K171 VanDerWaalsContact OG1-N 3.13Å; T38-L202 HydrophobicContact CG2-CD1 4.14Å
39	S	98.1	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.5	175.4	-52.2	0	0	0	0	108.6	V51 T52 S81 A167 A168	S39-V51 CarbonylContact C-O 3.49Å; S39-V51 WeakPolarHBondContact CA-O 3.46Å; S39-T52 WeakPolarHBondContact OG-CB 3.48Å; S39-T52 PolarHBondContact OG-OG1 2.84Å; S39-S81 VanDerWaalsContact CB-OG 3.31Å; S39-S81 WeakPolarHBondContact CB-OG 3.28Å; S39-S81 PolarHBondContact OG-OG 2.66Å; S39-A167 CarbonylContact O-C 3.56Å; S39-A167 VanDerWaalsContact O-CA 3.27Å; S39-A167 WeakPolarHBondContact O-CA 3.39Å; S39-A168 PolarHBondContact N-O 3.11Å; S39-A168 PolarHBondContact O-N 2.9Å
40	L	97.3	Very high	96.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157	177.5	61.2	87.4	0	0	0	110.9	I42 V50 V51 T166 A167 A198 C201 L202	L40-I42 HydrophobicContact CD1-CD1 4.4Å; L40-I42 HydrophobicContact CD1-CG1 4.24Å; L40-V50 CarbonylContact O-C 3.54Å; L40-V50 WeakPolarHBondContact O-CA 3.25Å; L40-V51 HydrophobicContact CD1-CB 3.95Å; L40-V51 HydrophobicContact CD1-CG2 4.32Å; L40-V51 HydrophobicContact CG-CB 4.25Å; L40-V51 PolarHBondContact N-O 2.99Å; L40-V51 PolarHBondContact O-N 3.43Å; L40-T166 CarbonylContact C-O 3.51Å; L40-T166 WeakPolarHBondContact CA-O 3.5Å; L40-A167 HydrophobicContact CB-CB 4.25Å; L40-A198 HydrophobicContact CD1-CB 3.45Å; L40-A198 VanDerWaalsContact CD1-CB 3.45Å; L40-A198 WeakPolarHBondContact CD2-O 3.28Å; L40-C201 HydrophobicContact CD2-CB 4.08Å; L40-L202 HydrophobicContact CD2-CB 3.81Å; L40-L202 HydrophobicContact CD2-CD1 4.23Å; L40-L202 HydrophobicContact CD2-CG 4.45Å
41	A	98.3	Very high	96.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.8	175.6	0	0	0	0	0	110.1	V49 V50 I139 I141 V151 A165 T166	A41-V49 CarbonylContact C-O 3.56Å; A41-V49 WeakPolarHBondContact CA-O 3.44Å; A41-V50 HydrophobicContact CB-CG1 3.77Å; A41-I139 HydrophobicContact CB-CG2 3.54Å; A41-I141 HydrophobicContact CB-CG2 4.45Å; A41-V151 HydrophobicContact CB-CG1 3.58Å; A41-A165 CarbonylContact O-C 3.59Å; A41-A165 WeakPolarHBondContact O-CA 3.26Å; A41-T166 HydrophobicContact CB-CG2 4.33Å; A41-T166 PolarHBondContact N-O 2.79Å; A41-T166 PolarHBondContact O-N 3.19Å
42	I	97.7	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.2	-179.8	-54.6	-174.6	0	0	0	108.8	L40 A48 V49 A165 L179 W189 T194 T197 A198	L40-I42 HydrophobicContact CD1-CD1 4.4Å; L40-I42 HydrophobicContact CD1-CG1 4.24Å; I42-A48 WeakPolarHBondContact O-CA 3.42Å; I42-V49 PolarHBondContact N-O 3.33Å; I42-V49 PolarHBondContact O-N 2.91Å; I42-A165 HydrophobicContact CB-CB 4.49Å; I42-A165 HydrophobicContact CG1-CB 4.13Å; I42-A165 HydrophobicContact CG2-CB 4.34Å; I42-L179 HydrophobicContact CD1-CD2 3.55Å; I42-L179 HydrophobicContact CG1-CD2 4.06Å; I42-W189 HydrophobicContact CG2-CE3 3.65Å; I42-W189 HydrophobicContact CG2-CZ3 3.42Å; I42-W189 VanDerWaalsContact CG2-CZ3 3.42Å; I42-T194 HydrophobicContact CB-CG2 3.97Å; I42-T194 HydrophobicContact CG2-CG2 3.79Å; I42-T197 HydrophobicContact CD1-CG2 4.06Å; I42-A198 HydrophobicContact CD1-CB 3.8Å; I42-A198 HydrophobicContact CG1-CB 4.37Å
43	R	96.8	Very high	96.2	Very high	64 Å²	64	27.3 Å²	27.3	24%	0.242	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.4	169	-174.6	177	65.8	178.8	13.6	109.2	P149 V151 K164	R43-P149 WeakPolarHBondContact CD-O 3.22Å; R43-P149 HydrophobicContact CG-CB 4.06Å; R43-V151 HydrophobicContact CB-CG2 3.85Å; R43-K164 WeakPolarHBondContact CB-O 3.31Å; R43-K164 PolarHBondContact N-O 3.49Å
44	G	95.6	Very high	96.3	Very high	6 Å²	6	25.1 Å²	25.1	6%	0.062	14%	0.137	C	C	.	.			trans	-88	-167.2	167.6	0	0	0	0	0	111.8	C47 T194	G44-C47 WeakPolarHBondContact CA-O 3.4Å; G44-C47 PolarHBondContact N-O 3Å; G44-T194 WeakPolarHBondContact CA-OG1 3.37Å
45	Q	94.6	Very high	96.4	Very high	108 Å²	108	23.4 Å²	23.4	51%	0.505	13%	0.127	S	C	.	.	S	Bend	trans	-68.5	-53.4	177.3	-175.2	175.6	-4.8	0	0	111.4	W189	Q45-W189 PolarHBondContact N-O 3.1Å
46	D	94.6	Very high	96.7	Very high	83 Å²	83	24.1 Å²	24.1	44%	0.444	12%	0.124	S	C	.	.	S	Bend	trans	-116.6	12.2	-173	-56.5	-46.9	0	0	0	112.5	T221 T222	D46-T221 CarbonylContact O-C 3.52Å; D46-T221 VanDerWaalsContact O-CA 3.31Å; D46-T221 WeakPolarHBondContact O-CA 3.5Å; D46-T222 PolarHBondContact O-N 3.44Å; D46-T222 PolarHBondContact O-OG1 3.09Å
47	C	96.9	Very high	96.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	162.1	-178.7	68.6	0	0	0	0	113.5	G44 P149 F191 I220 T221	G44-C47 WeakPolarHBondContact CA-O 3.4Å; G44-C47 PolarHBondContact N-O 3Å; C47-P149 WeakPolarHBondContact O-CB 3.46Å; C47-F191 HydrophobicContact CB-CD2 3.76Å; C47-F191 HydrophobicContact CB-CE2 4.43Å; C47-I220 CarbonylContact C-O 3.53Å; C47-I220 WeakPolarHBondContact CA-O 3.3Å; C47-I220 VanDerWaalsContact CB-O 3.3Å; C47-I220 WeakPolarHBondContact CB-O 3.44Å; C47-T221 HydrophobicContact CB-CG2 3.99Å
48	A	97.9	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.2	163.7	0	0	0	0	0	109.3	I42 I141 P149 V151 I220	I42-A48 WeakPolarHBondContact O-CA 3.42Å; A48-I141 HydrophobicContact CB-CB 4Å; A48-I141 HydrophobicContact CB-CD1 4.42Å; A48-I141 HydrophobicContact CB-CG2 4.18Å; A48-P149 HydrophobicContact CB-CB 4.13Å; A48-V151 HydrophobicContact CB-CG2 4.01Å; A48-I220 HydrophobicContact CB-CG2 3.94Å; A48-I220 PolarHBondContact N-O 3.1Å; A48-I220 PolarHBondContact O-N 3.45Å
49	V	98.2	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.9	-173.9	-179.3	0	0	0	0	109	A41 I42 V51 T194 I195 I217 G218 V219	A41-V49 CarbonylContact C-O 3.56Å; A41-V49 WeakPolarHBondContact CA-O 3.44Å; I42-V49 PolarHBondContact N-O 3.33Å; I42-V49 PolarHBondContact O-N 2.91Å; V49-V51 HydrophobicContact CG1-CG2 3.93Å; V49-T194 HydrophobicContact CB-CG2 4.13Å; V49-T194 HydrophobicContact CG2-CG2 3.7Å; V49-I195 HydrophobicContact CG1-CG1 4.08Å; V49-I195 HydrophobicContact CG2-CG1 3.83Å; V49-I217 HydrophobicContact CG1-CG2 3.84Å; V49-G218 WeakPolarHBondContact CA-O 3.48Å; V49-V219 HydrophobicContact CG1-CG1 4.27Å; V49-V219 HydrophobicContact CG2-CG1 4.14Å
50	V	98.3	Very high	96.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.6	166.3	-70.3	0	0	0	0	109.1	L40 A41 L69 V79 I141 I217 G218 F227	L40-V50 CarbonylContact O-C 3.54Å; L40-V50 WeakPolarHBondContact O-CA 3.25Å; A41-V50 HydrophobicContact CB-CG1 3.77Å; V50-L69 HydrophobicContact CB-CD2 4.37Å; V50-L69 HydrophobicContact CG2-CD2 3.59Å; V50-V79 HydrophobicContact CB-CB 4.22Å; V50-V79 HydrophobicContact CB-CG1 3.96Å; V50-V79 HydrophobicContact CG1-CB 4.41Å; V50-V79 HydrophobicContact CG1-CG1 3.79Å; V50-V79 HydrophobicContact CG2-CB 4.48Å; V50-I141 HydrophobicContact CB-CD1 4.45Å; V50-I141 HydrophobicContact CG1-CB 4.45Å; V50-I141 HydrophobicContact CG1-CD1 3.95Å; V50-I141 HydrophobicContact CG1-CG1 4.07Å; V50-I141 HydrophobicContact CG1-CG2 3.55Å; V50-I141 HydrophobicContact CG2-CD1 3.94Å; V50-I217 WeakPolarHBondContact O-CA 3.33Å; V50-G218 WeakPolarHBondContact CG2-O 3.39Å; V50-G218 PolarHBondContact N-O 3.1Å; V50-G218 PolarHBondContact O-N 3.03Å; V50-F227 HydrophobicContact CG2-CE2 4.28Å
51	V	98.3	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.7	174.5	-178.3	0	0	0	0	108.9	S39 L40 V49 A198 L202 L215 E216 I217	S39-V51 CarbonylContact C-O 3.49Å; S39-V51 WeakPolarHBondContact CA-O 3.46Å; L40-V51 HydrophobicContact CD1-CB 3.95Å; L40-V51 HydrophobicContact CD1-CG2 4.32Å; L40-V51 HydrophobicContact CG-CB 4.25Å; L40-V51 PolarHBondContact N-O 2.99Å; L40-V51 PolarHBondContact O-N 3.43Å; V49-V51 HydrophobicContact CG1-CG2 3.93Å; V51-A198 HydrophobicContact CB-CB 4.44Å; V51-A198 HydrophobicContact CG2-CB 3.64Å; V51-L202 HydrophobicContact CG1-CD2 3.84Å; V51-L215 HydrophobicContact CG1-CD2 4.13Å; V51-E216 WeakPolarHBondContact CA-O 3.37Å; V51-I217 HydrophobicContact CG1-CG1 4.24Å; V51-I217 HydrophobicContact CG2-CB 4.47Å; V51-I217 HydrophobicContact CG2-CD1 4.24Å; V51-I217 HydrophobicContact CG2-CG1 3.99Å; V51-I217 HydrophobicContact CG2-CG2 4.08Å
52	T	98.3	Very high	96.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157.5	176.4	-169.2	0	0	0	0	111.4	S39 H68 L69 V79 L215 E216	S39-T52 WeakPolarHBondContact OG-CB 3.48Å; S39-T52 PolarHBondContact OG-OG1 2.84Å; T52-H68 HydrophobicContact CG2-CB 4.06Å; T52-L69 HydrophobicContact CG2-CD2 4.23Å; T52-L69 HydrophobicContact CG2-CG 4.33Å; T52-V79 HydrophobicContact CG2-CG2 3.99Å; T52-L215 WeakPolarHBondContact O-CA 3.28Å; T52-E216 HydrophobicContact CG2-CB 3.95Å; T52-E216 PolarHBondContact N-O 2.94Å; T52-E216 PolarHBondContact O-N 3Å
53	Q	97.2	Very high	96	Very high	7 Å²	7	59.3 Å²	59.3	3%	0.033	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.2	176.7	-61.4	178.6	-91.4	0	0	110.5	L37 L202 L206 F210	L37-Q53 HydrophobicContact CD2-CB 3.96Å; Q53-L202 HydrophobicContact CG-CD1 4.39Å; Q53-L202 HydrophobicContact CG-CD2 4.06Å; Q53-L202 HydrophobicContact CG-CG 4.48Å; Q53-L206 HydrophobicContact CG-CD1 3.97Å; Q53-F210 HydrophobicContact CG-CE1 4.48Å; Q53-F210 HydrophobicContact CG-CZ 4.43Å
54	K	96.1	Very high	95.9	Very high	28 Å²	28	60.4 Å²	60.4	12%	0.122	32%	0.324	C	S	.	.			trans	-103.1	109	168.6	-163.7	171.6	-178.3	164.3	0	109.7	V56 A63 V66 E214 E216	K54-V56 HydrophobicContact CG-CG2 4.33Å; K54-A63 WeakPolarHBondContact CE-O 3.3Å; K54-A63 PolarHBondContact NZ-O 3.45Å; K54-V66 VanDerWaalsContact CE-O 3.29Å; K54-V66 WeakPolarHBondContact CE-O 3.41Å; K54-E214 PolarHBondContact N-O 3.43Å; K54-E216 HydrophobicContact CB-CG 4.05Å; K54-E216 HydrophobicContact CD-CG 3.82Å; K54-E216 HydrophobicContact CG-CG 4.22Å
55	K	94.3	Very high	95.9	Very high	111 Å²	111	64.7 Å²	64.7	48%	0.483	35%	0.349	S	S	.	.			trans	-111.3	114	177.2	-66.1	-175.1	-178	174.5	0	109.8	G36 L37 P57	G36-K55 PolarHBondContact O-NZ 2.71Å; L37-K55 HydrophobicContact CD2-CB 4.37Å; L37-K55 HydrophobicContact CD2-CD 3.7Å; L37-K55 HydrophobicContact CD2-CG 3.91Å; K55-P57 WeakPolarHBondContact O-CD 3.43Å
56	V	94.9	Very high	96	Very high	52 Å²	52	61.2 Å²	61.2	32%	0.315	34%	0.335	S	S	.	.			trans	-115.9	91.4	174.9	-173.5	0	0	0	0	107.5	K54 D58 L61 A63 V66	K54-V56 HydrophobicContact CG-CG2 4.33Å; V56-D58 VanDerWaalsContact C-N 3.33Å; V56-D58 WeakPolarHBondContact CG1-O 3.44Å; V56-D58 PolarHBondContact O-N 3.34Å; V56-L61 HydrophobicContact CG1-CB 3.9Å; V56-L61 HydrophobicContact CG1-CD1 4.46Å; V56-A63 HydrophobicContact CG1-CB 4.43Å; V56-A63 HydrophobicContact CG2-CB 3.95Å; V56-V66 HydrophobicContact CG2-CB 4.45Å
57	P	91.2	Very high	96.1	Very high	124 Å²	124	59.1 Å²	59.1	81%	0.805	33%	0.325	S	S	*	.			trans	-71.9	-27.6	-171.5	27.7	-34.9	0	0	0	113.2	K55 L61	K55-P57 WeakPolarHBondContact O-CD 3.43Å; P57-L61 HydrophobicContact CG-CD1 4.29Å
58	D	94.3	Very high	96.1	Very high	78 Å²	78	60 Å²	60	42%	0.417	33%	0.33	S	S	.	.			trans	-115.6	131	-178	-173.2	-9.6	0	0	0	110.2	V56 L60 L61	V56-D58 VanDerWaalsContact C-N 3.33Å; V56-D58 WeakPolarHBondContact CG1-O 3.44Å; V56-D58 PolarHBondContact O-N 3.34Å; D58-L60 PolarHBondContact O-N 3.17Å; D58-L60 WeakPolarHBondContact OD1-CB 3.07Å; D58-L60 PolarHBondContact OD1-N 3.47Å; D58-L61 HydrophobicContact CB-CD1 4.09Å; D58-L61 HydrophobicContact CB-CG 4.09Å; D58-L61 WeakPolarHBondContact O-CB 3.42Å; D58-L61 PolarHBondContact O-N 2.92Å; D58-L61 VanDerWaalsContact O-N 3.11Å
59	K	93.4	Very high	96.2	Very high	207 Å²	207	60.2 Å²	60.2	90%	0.9	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.6	177.5	-63.1	-177.4	-179.4	-179.8	0	113	L61	K59-L61 VanDerWaalsContact C-N 3.31Å
60	L	96.9	Very high	96.2	Very high	158 Å²	158	61.7 Å²	61.7	83%	0.827	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-13	175.8	-59.6	179.8	0	0	0	112.8	D58	D58-L60 PolarHBondContact O-N 3.17Å; D58-L60 WeakPolarHBondContact OD1-CB 3.07Å; D58-L60 PolarHBondContact OD1-N 3.47Å
61	L	96.4	Very high	96.2	Very high	83 Å²	83	65.6 Å²	65.6	44%	0.435	35%	0.354	S	S	.	.	S	Bend	trans	-75.5	133.5	173	-69.4	170.6	0	0	0	110.1	V56 P57 D58 K59 A63	V56-L61 HydrophobicContact CG1-CB 3.9Å; V56-L61 HydrophobicContact CG1-CD1 4.46Å; P57-L61 HydrophobicContact CG-CD1 4.29Å; D58-L61 HydrophobicContact CB-CD1 4.09Å; D58-L61 HydrophobicContact CB-CG 4.09Å; D58-L61 WeakPolarHBondContact O-CB 3.42Å; D58-L61 PolarHBondContact O-N 2.92Å; D58-L61 VanDerWaalsContact O-N 3.11Å; K59-L61 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 3.34Å
62	D	96.4	Very high	96.2	Very high	95 Å²	95	66.2 Å²	66.2	51%	0.508	36%	0.357	S	S	.	.			trans	-70.9	102.9	168.1	-177.5	-6.7	0	0	0	109.6	S64 T65	D62-S64 PolarHBondContact O-N 2.94Å; D62-S64 VanDerWaalsContact O-N 3.12Å; D62-S64 VanDerWaalsContact OD1-CB 3.29Å; D62-S64 WeakPolarHBondContact OD1-CB 3.19Å; D62-S64 PolarHBondContact OD1-N 3.49Å; D62-S64 PolarHBondContact OD1-OG 2.97Å; D62-S64 PolarHBondContact OD2-OG 3.42Å; D62-S64 VanDerWaalsContact OD2-OG 3.11Å; D62-T65 HydrophobicContact CB-CG2 4.18Å; D62-T65 PolarHBondContact O-N 3.5Å; D62-T65 PolarHBondContact O-OG1 3.25Å
63	A	94.8	Very high	96.2	Very high	40 Å²	40	67.1 Å²	67.1	33%	0.331	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.6	-179.9	0	0	0	0	0	113.2	K54 V56 L61 T65 V66	K54-A63 WeakPolarHBondContact CE-O 3.3Å; K54-A63 PolarHBondContact NZ-O 3.45Å; V56-A63 HydrophobicContact CG1-CB 4.43Å; V56-A63 HydrophobicContact CG2-CB 3.95Å; L61-A63 PolarHBondContact O-N 3.34Å; A63-T65 PolarHBondContact O-N 3.23Å; A63-V66 PolarHBondContact O-N 3.49Å
64	S	94.5	Very high	96.2	Very high	87 Å²	87	71.6 Å²	71.6	61%	0.608	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.3	178.3	74.2	0	0	0	0	112.6	D62	D62-S64 PolarHBondContact O-N 2.94Å; D62-S64 VanDerWaalsContact O-N 3.12Å; D62-S64 VanDerWaalsContact OD1-CB 3.29Å; D62-S64 WeakPolarHBondContact OD1-CB 3.19Å; D62-S64 PolarHBondContact OD1-N 3.49Å; D62-S64 PolarHBondContact OD1-OG 2.97Å; D62-S64 PolarHBondContact OD2-OG 3.42Å; D62-S64 VanDerWaalsContact OD2-OG 3.11Å
65	T	95.6	Very high	96.2	Very high	97 Å²	97	72.6 Å²	72.6	60%	0.595	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-14.4	-178.9	70.2	0	0	0	0	113.3	D62 A63 T67	D62-T65 HydrophobicContact CB-CG2 4.18Å; D62-T65 PolarHBondContact O-N 3.5Å; D62-T65 PolarHBondContact O-OG1 3.25Å; A63-T65 PolarHBondContact O-N 3.23Å; T65-T67 PolarHBondContact O-N 2.87Å
66	V	96.4	Very high	96.4	Very high	34 Å²	34	67.5 Å²	67.5	21%	0.206	37%	0.368	C	S	.	.			trans	-90.5	93	178.1	-176.6	0	0	0	0	108.4	K54 V56 A63	K54-V66 VanDerWaalsContact CE-O 3.29Å; K54-V66 WeakPolarHBondContact CE-O 3.41Å; V56-V66 HydrophobicContact CG2-CB 4.45Å; A63-V66 PolarHBondContact O-N 3.49Å
67	T	97.2	Very high	96.6	Very high	39 Å²	39	65 Å²	65	24%	0.239	35%	0.353	C	S	.	.			trans	-136.7	148	177.1	-168.9	0	0	0	0	112	T65 L69 F70 E216	T65-T67 PolarHBondContact O-N 2.87Å; T67-L69 PolarHBondContact OG1-N 3.03Å; T67-F70 HydrophobicContact CG2-CE1 4.24Å; T67-F70 WeakPolarHBondContact O-CZ 3.14Å; T67-E216 WeakPolarHBondContact CA-OE1 3.43Å; T67-E216 VanDerWaalsContact CA-OE2 3.32Å; T67-E216 WeakPolarHBondContact CA-OE2 3.5Å; T67-E216 WeakPolarHBondContact CB-OE1 3.36Å; T67-E216 VanDerWaalsContact OG1-CD 3.25Å; T67-E216 PolarHBondContact OG1-OE1 3.01Å; T67-E216 PolarHBondContact OG1-OE2 2.94Å
68	H	98.1	Very high	97	Very high	21 Å²	21	59.1 Å²	59.1	10%	0.097	32%	0.315	C	S	.	.	S	Bend	trans	-109.8	-1.5	170.5	-62.5	81.9	0	0	0	112.5	L37 T52 F70 V79 M80 E216	L37-H68 WeakPolarHBondContact CD1-CE1 3.47Å; L37-H68 WeakPolarHBondContact CD1-NE2 3.4Å; T52-H68 HydrophobicContact CG2-CB 4.06Å; H68-F70 WeakPolarHBondContact O-CD2 3.2Å; H68-F70 WeakPolarHBondContact O-CE2 3.31Å; H68-V79 HydrophobicContact CB-CG2 4.35Å; H68-V79 WeakPolarHBondContact O-CA 3.4Å; H68-M80 PolarHBondContact O-N 3.2Å; H68-E216 PolarHBondContact N-OE2 3.13Å
69	L	98.5	Very high	97.2	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.5	176	-61.3	-175.3	0	0	0	110	V50 T52 T67 C78 V79 E216 F227 I229	V50-L69 HydrophobicContact CB-CD2 4.37Å; V50-L69 HydrophobicContact CG2-CD2 3.59Å; T52-L69 HydrophobicContact CG2-CD2 4.23Å; T52-L69 HydrophobicContact CG2-CG 4.33Å; T67-L69 PolarHBondContact OG1-N 3.03Å; L69-C78 WeakPolarHBondContact CA-O 3.47Å; L69-V79 HydrophobicContact CD2-CB 3.68Å; L69-V79 HydrophobicContact CD2-CG2 3.82Å; L69-E216 HydrophobicContact CD1-CB 3.64Å; L69-E216 HydrophobicContact CG-CB 4.04Å; L69-F227 HydrophobicContact CB-CZ 4.46Å; L69-I229 HydrophobicContact CB-CD1 3.8Å; L69-I229 HydrophobicContact CB-CG1 4.25Å; L69-I229 HydrophobicContact CD1-CD1 4.34Å; L69-I229 HydrophobicContact CD1-CG1 4.06Å; L69-I229 HydrophobicContact CD1-CG2 4.06Å
70	F	98.6	Very high	97.4	Very high	30 Å²	30	45.5 Å²	45.5	13%	0.132	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.5	179.9	-55.7	-84.2	0	0	0	110.5	T67 H68 I72 C78 M80 V91	T67-F70 HydrophobicContact CG2-CE1 4.24Å; T67-F70 WeakPolarHBondContact O-CZ 3.14Å; H68-F70 WeakPolarHBondContact O-CD2 3.2Å; H68-F70 WeakPolarHBondContact O-CE2 3.31Å; F70-I72 PolarHBondContact O-N 2.86Å; F70-C78 PolarHBondContact N-O 2.93Å; F70-C78 PolarHBondContact O-N 2.85Å; F70-M80 HydrophobicContact CD2-CB 4.45Å; F70-M80 HydrophobicContact CD2-CG 3.69Å; F70-M80 HydrophobicContact CE2-CB 4.09Å; F70-M80 HydrophobicContact CE2-CG 3.72Å; F70-V91 HydrophobicContact CB-CG1 3.82Å; F70-V91 HydrophobicContact CB-CG2 4.13Å; F70-V91 HydrophobicContact CD1-CG1 4.21Å; F70-V91 HydrophobicContact CD2-CG2 3.7Å; F70-V91 HydrophobicContact CE2-CG2 4.28Å; F70-V91 HydrophobicContact CG-CG1 3.96Å; F70-V91 HydrophobicContact CG-CG2 3.89Å
71	K	98.5	Very high	97.5	Very high	82 Å²	82	38 Å²	38	36%	0.357	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	122.9	164.6	-172.8	-179.5	-76	-165.2	0	109	T73 E74 R95 F227	K71-T73 WeakPolarHBondContact CG-O 3.32Å; K71-E74 IonicContact NZ-OE1 3.13Å; K71-E74 IonicContact NZ-OE2 2.67Å; K71-E74 PolarHBondContact NZ-OE2 2.91Å; K71-R95 PolarHBondContact O-NE 2.94Å; K71-R95 PolarHBondContact O-NH2 3.47Å; K71-F227 HydrophobicContact CB-CD1 4.07Å; K71-F227 WeakPolarHBondContact CE-O 3.41Å; K71-F227 HydrophobicContact CG-CD1 4.36Å
72	I	98.6	Very high	97.5	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.067	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-52.4	175	-57.1	-56	0	0	0	110	F70 I76 C78 V91 A94 R95 A98 L114	F70-I72 PolarHBondContact O-N 2.86Å; I72-I76 HydrophobicContact CB-CB 4.34Å; I72-I76 HydrophobicContact CB-CG2 4.09Å; I72-I76 HydrophobicContact CG1-CG2 4.38Å; I72-I76 PolarHBondContact N-O 2.88Å; I72-C78 HydrophobicContact CG1-CB 4.2Å; I72-V91 HydrophobicContact CD1-CG1 3.91Å; I72-A94 HydrophobicContact CD1-CB 4.02Å; I72-A94 HydrophobicContact CG2-CB 4.16Å; I72-R95 HydrophobicContact CD1-CG 4.21Å; I72-R95 HydrophobicContact CG2-CG 4.18Å; I72-A98 HydrophobicContact CG2-CB 4.12Å; I72-L114 HydrophobicContact CG2-CD2 3.9Å
73	T	98.2	Very high	97.5	Very high	20 Å²	20	33 Å²	33	12%	0.123	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	-179.9	167.6	68.4	0	0	0	0	108.4	K71 N75 I76 A98	K71-T73 WeakPolarHBondContact CG-O 3.32Å; T73-N75 PolarHBondContact O-N 3.28Å; T73-N75 PolarHBondContact OG1-N 3.43Å; T73-I76 PolarHBondContact N-O 2.84Å; T73-I76 PolarHBondContact O-N 3.18Å; T73-I76 VanDerWaalsContact O-O 3.11Å; T73-I76 WeakPolarHBondContact OG1-CB 3.29Å; T73-I76 WeakPolarHBondContact OG1-CG1 3.44Å; T73-I76 PolarHBondContact OG1-N 3.24Å; T73-A98 HydrophobicContact CG2-CB 3.53Å
74	E	97.3	Very high	97.7	Very high	100 Å²	100	34.8 Å²	34.8	47%	0.467	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.9	174.4	-66.3	-55.1	145.7	0	0	112.5	K71 K226 F227	K71-E74 IonicContact NZ-OE1 3.13Å; K71-E74 IonicContact NZ-OE2 2.67Å; K71-E74 PolarHBondContact NZ-OE2 2.91Å; E74-K226 CarbonylContact O-C 3.21Å; E74-K226 VanDerWaalsContact O-CA 3.28Å; E74-K226 WeakPolarHBondContact O-CA 3.48Å; E74-F227 PolarHBondContact O-N 3.46Å
75	N	97	Very high	97.8	Very high	49 Å²	49	34.1 Å²	34.1	26%	0.262	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	3.2	-173.5	-56.1	1.3	0	0	0	113.5	T73 G142 I220 P225	T73-N75 PolarHBondContact O-N 3.28Å; T73-N75 PolarHBondContact OG1-N 3.43Å; N75-G142 WeakPolarHBondContact O-CA 3.41Å; N75-I220 WeakPolarHBondContact O-CD1 3.46Å; N75-P225 VanDerWaalsContact CA-O 3.25Å; N75-P225 WeakPolarHBondContact CA-O 3.39Å; N75-P225 WeakPolarHBondContact CB-O 3.29Å; N75-P225 VanDerWaalsContact CG-O 3.26Å; N75-P225 PolarHBondContact OD1-O 3.21Å
76	I	98.5	Very high	97.9	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.3	-178.2	-58.7	-179.3	0	0	0	110.1	I72 T73 I109 V111 L114 V140	I72-I76 HydrophobicContact CB-CB 4.34Å; I72-I76 HydrophobicContact CB-CG2 4.09Å; I72-I76 HydrophobicContact CG1-CG2 4.38Å; I72-I76 PolarHBondContact N-O 2.88Å; T73-I76 PolarHBondContact N-O 2.84Å; T73-I76 PolarHBondContact O-N 3.18Å; T73-I76 VanDerWaalsContact O-O 3.11Å; T73-I76 WeakPolarHBondContact OG1-CB 3.29Å; T73-I76 WeakPolarHBondContact OG1-CG1 3.44Å; T73-I76 PolarHBondContact OG1-N 3.24Å; I76-I109 HydrophobicContact CD1-CG2 3.74Å; I76-I109 WeakPolarHBondContact CD1-O 3.3Å; I76-V111 HydrophobicContact CD1-CG2 4.37Å; I76-V111 HydrophobicContact CG1-CG2 4.28Å; I76-L114 HydrophobicContact CD1-CD2 3.98Å; I76-L114 HydrophobicContact CG2-CD2 3.85Å; I76-V140 HydrophobicContact CG2-CG1 3.29Å
77	G	98.6	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	156.4	169.1	0	0	0	0	0	111.6	V140 I141 F227	G77-V140 WeakPolarHBondContact O-CA 3.34Å; G77-I141 PolarHBondContact N-O 3.37Å; G77-I141 PolarHBondContact O-N 2.78Å; G77-I141 VanDerWaalsContact O-O 3.11Å; G77-F227 VanDerWaalsContact CA-CG 3.43Å
78	C	98.6	Very high	98.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.9	168.7	76.2	0	0	0	0	112	L69 F70 I72 M138 I139 V140	L69-C78 WeakPolarHBondContact CA-O 3.47Å; F70-C78 PolarHBondContact N-O 2.93Å; F70-C78 PolarHBondContact O-N 2.85Å; I72-C78 HydrophobicContact CG1-CB 4.2Å; C78-M138 HydrophobicContact CB-CG 4.13Å; C78-I139 CarbonylContact C-O 3.59Å; C78-I139 WeakPolarHBondContact CA-O 3.48Å; C78-I139 VanDerWaalsContact CB-O 3.26Å; C78-I139 WeakPolarHBondContact CB-O 3.38Å; C78-V140 HydrophobicContact CB-CG2 4.27Å
79	V	98.6	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.6	164.9	62.2	0	0	0	0	109.4	V50 T52 H68 L69 I139	V50-V79 HydrophobicContact CB-CB 4.22Å; V50-V79 HydrophobicContact CB-CG1 3.96Å; V50-V79 HydrophobicContact CG1-CB 4.41Å; V50-V79 HydrophobicContact CG1-CG1 3.79Å; V50-V79 HydrophobicContact CG2-CB 4.48Å; T52-V79 HydrophobicContact CG2-CG2 3.99Å; H68-V79 HydrophobicContact CB-CG2 4.35Å; H68-V79 WeakPolarHBondContact O-CA 3.4Å; L69-V79 HydrophobicContact CD2-CB 3.68Å; L69-V79 HydrophobicContact CD2-CG2 3.82Å; V79-I139 HydrophobicContact CG1-CB 3.71Å; V79-I139 HydrophobicContact CG1-CD1 4.21Å; V79-I139 HydrophobicContact CG1-CG1 4.43Å; V79-I139 HydrophobicContact CG1-CG2 4.36Å; V79-I139 PolarHBondContact N-O 2.88Å; V79-I139 PolarHBondContact O-N 2.81Å
80	M	98.5	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.7	-179.5	-61.1	-55.2	-68	0	0	111.5	H68 F70 Q90 V91 C136 M138	H68-M80 PolarHBondContact O-N 3.2Å; F70-M80 HydrophobicContact CD2-CB 4.45Å; F70-M80 HydrophobicContact CD2-CG 3.69Å; F70-M80 HydrophobicContact CE2-CB 4.09Å; F70-M80 HydrophobicContact CE2-CG 3.72Å; M80-Q90 HydrophobicContact CE-CB 4.09Å; M80-V91 HydrophobicContact CE-CG2 4.43Å; M80-V91 HydrophobicContact CG-CG2 3.58Å; M80-V91 HydrophobicContact SD-CG2 3.81Å; M80-C136 HydrophobicContact CE-CB 4.27Å; M80-M138 HydrophobicContact CE-CB 3.94Å; M80-M138 HydrophobicContact CE-CE 3.83Å; M80-M138 HydrophobicContact CE-CG 4.44Å; M80-M138 HydrophobicContact SD-CB 3.65Å; M80-M138 HydrophobicContact SD-CE 3.46Å; M80-M138 WeakPolarHBondContact SD-CE 3.29Å; M80-M138 HydrophobicContact SD-CG 3.61Å; M80-M138 HydrophobicContact SD-SD 4.4Å
81	S	97.7	Very high	98.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.8	173.8	-65.7	0	0	0	0	110.7	S39 C136 C137	S39-S81 VanDerWaalsContact CB-OG 3.31Å; S39-S81 WeakPolarHBondContact CB-OG 3.28Å; S39-S81 PolarHBondContact OG-OG 2.66Å; S81-C136 CarbonylContact O-C 3.52Å; S81-C136 VanDerWaalsContact O-CA 3.29Å; S81-C136 WeakPolarHBondContact O-CA 3.43Å; S81-C137 PolarHBondContact N-O 2.83Å; S81-C137 PolarHBondContact O-N 3.22Å
82	G	97.1	Very high	98.1	Very high	7 Å²	7	35.2 Å²	35.2	7%	0.072	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.3	-148.3	178.2	0	0	0	0	0	113.7	I32 T84	I32-G82 WeakPolarHBondContact O-CA 3.32Å; G82-T84 PolarHBondContact O-N 2.9Å
83	M	97.6	Very high	98.1	Very high	64 Å²	64	39.3 Å²	39.3	32%	0.315	21%	0.21	S	C	.	.			trans	-63.6	117.3	-176.7	-66.3	-180	69.7	0	0	111.3	A31 A85 D86 S87 G135	A31-M83 HydrophobicContact CB-CG 4.47Å; A31-M83 HydrophobicContact CB-SD 4.14Å; M83-A85 VanDerWaalsContact C-N 3.32Å; M83-A85 PolarHBondContact O-N 3.28Å; M83-D86 HydrophobicContact CB-CB 4.17Å; M83-D86 PolarHBondContact O-N 3.46Å; M83-S87 WeakPolarHBondContact O-CB 3.35Å; M83-S87 PolarHBondContact O-N 2.67Å; M83-S87 PolarHBondContact O-OG 2.84Å; M83-S87 VanDerWaalsContact O-OG 3.07Å; M83-G135 PolarHBondContact N-O 3Å
84	T	97.2	Very high	98.2	Very high	79 Å²	79	38.3 Å²	38.3	49%	0.485	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-37.5	-172.5	-48.4	0	0	0	0	113.9	G82 S87 K88	G82-T84 PolarHBondContact O-N 2.9Å; T84-S87 WeakPolarHBondContact O-CB 3.43Å; T84-S87 PolarHBondContact O-N 2.88Å; T84-K88 WeakPolarHBondContact O-CG 3.19Å; T84-K88 PolarHBondContact O-N 3.5Å
85	A	97.9	Very high	98.2	Very high	73 Å²	73	37.5 Å²	37.5	60%	0.603	20%	0.197	S	C	*	.	H	α-helix	trans	-66.2	-47.8	179.5	0	0	0	0	0	111.7	M83 S87 K88 S89	M83-A85 VanDerWaalsContact C-N 3.32Å; M83-A85 PolarHBondContact O-N 3.28Å; A85-S87 VanDerWaalsContact C-N 3.31Å; A85-S87 PolarHBondContact O-N 2.96Å; A85-K88 PolarHBondContact O-N 3.25Å; A85-S89 PolarHBondContact O-N 3.43Å; A85-S89 VanDerWaalsContact O-N 3.08Å
86	D	98.3	Very high	98.3	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-42.6	175.9	-69.5	7.9	0	0	0	110.6	M83 K88 S89 Q90 R132 L134 G135 C136	M83-D86 HydrophobicContact CB-CB 4.17Å; M83-D86 PolarHBondContact O-N 3.46Å; D86-K88 PolarHBondContact O-N 3.35Å; D86-S89 WeakPolarHBondContact O-CB 3.42Å; D86-S89 PolarHBondContact O-N 3.03Å; D86-S89 VanDerWaalsContact O-N 3.16Å; D86-Q90 PolarHBondContact O-N 2.96Å; D86-R132 IonicContact OD1-CZ 3.46Å; D86-R132 IonicContact OD1-NH1 3.5Å; D86-R132 IonicContact OD1-NH2 3.39Å; D86-R132 PolarHBondContact OD1-NH2 3.23Å; D86-R132 IonicContact OD2-CZ 2.67Å; D86-R132 IonicContact OD2-NH1 3.16Å; D86-R132 PolarHBondContact OD2-NH1 3.31Å; D86-R132 IonicContact OD2-NH2 2.84Å; D86-R132 PolarHBondContact OD2-NH2 3.46Å; D86-R132 VanDerWaalsContact OD2-NH2 3.14Å; D86-L134 HydrophobicContact CB-CB 4.19Å; D86-L134 HydrophobicContact CB-CD2 4.21Å; D86-L134 WeakPolarHBondContact OD2-CA 3.37Å; D86-G135 PolarHBondContact OD2-N 3.34Å; D86-C136 HydrophobicContact CB-CB 4.26Å
87	S	98.3	Very high	98.3	Very high	3 Å²	3	42 Å²	42	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-56.6	-48.1	176.4	-67.6	0	0	0	0	112.4	M83 T84 A85 S89 Q90 V91 C136	M83-S87 WeakPolarHBondContact O-CB 3.35Å; M83-S87 PolarHBondContact O-N 2.67Å; M83-S87 PolarHBondContact O-OG 2.84Å; M83-S87 VanDerWaalsContact O-OG 3.07Å; T84-S87 WeakPolarHBondContact O-CB 3.43Å; T84-S87 PolarHBondContact O-N 2.88Å; A85-S87 VanDerWaalsContact C-N 3.31Å; A85-S87 PolarHBondContact O-N 2.96Å; S87-S89 VanDerWaalsContact C-N 3.33Å; S87-S89 PolarHBondContact O-N 3.04Å; S87-Q90 PolarHBondContact O-N 3.11Å; S87-V91 VanDerWaalsContact O-CG2 3.28Å; S87-V91 WeakPolarHBondContact O-CG2 3.01Å; S87-V91 PolarHBondContact O-N 3.23Å; S87-C136 WeakPolarHBondContact OG-CB 3.35Å
88	K	98.3	Very high	98.3	Very high	119 Å²	119	42 Å²	42	52%	0.517	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-39.9	177.5	-73.3	179.4	179.1	-177.9	0	111.7	T84 A85 D86 V91 Q92	T84-K88 WeakPolarHBondContact O-CG 3.19Å; T84-K88 PolarHBondContact O-N 3.5Å; A85-K88 PolarHBondContact O-N 3.25Å; D86-K88 PolarHBondContact O-N 3.35Å; K88-V91 PolarHBondContact O-N 2.8Å; K88-Q92 WeakPolarHBondContact O-CG 3.41Å; K88-Q92 PolarHBondContact O-N 3.1Å
89	S	98.6	Very high	98.3	Very high	70 Å²	70	45 Å²	45	49%	0.49	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-47.3	175.5	-173.9	0	0	0	0	111.6	A85 D86 S87 V91 Q92 R93	A85-S89 PolarHBondContact O-N 3.43Å; A85-S89 VanDerWaalsContact O-N 3.08Å; D86-S89 WeakPolarHBondContact O-CB 3.42Å; D86-S89 PolarHBondContact O-N 3.03Å; D86-S89 VanDerWaalsContact O-N 3.16Å; S87-S89 VanDerWaalsContact C-N 3.33Å; S87-S89 PolarHBondContact O-N 3.04Å; S89-V91 PolarHBondContact O-N 2.96Å; S89-Q92 PolarHBondContact O-N 3.44Å; S89-R93 PolarHBondContact O-N 3.14Å
90	Q	98.5	Very high	98.3	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-38.4	179.6	-161.3	174.3	42.3	0	0	112	M80 D86 S87 R93 A94 M118 S122 L134 C136 M138	M80-Q90 HydrophobicContact CE-CB 4.09Å; D86-Q90 PolarHBondContact O-N 2.96Å; S87-Q90 PolarHBondContact O-N 3.11Å; Q90-R93 PolarHBondContact O-N 3.28Å; Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 3.48Å; Q90-M118 HydrophobicContact CG-CE 3.42Å; Q90-M118 VanDerWaalsContact CG-CE 3.42Å; Q90-M118 WeakPolarHBondContact O-CE 3.27Å; Q90-S122 PolarHBondContact NE2-OG 2.87Å; Q90-L134 HydrophobicContact CB-CD1 4.24Å; Q90-L134 HydrophobicContact CG-CD1 4.48Å; Q90-C136 PolarHBondContact OE1-SG 3.31Å; Q90-M138 HydrophobicContact CB-CE 4.17Å; Q90-M138 HydrophobicContact CG-CE 3.77Å
91	V	98.8	Very high	98.3	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-44	173.2	166.8	0	0	0	0	111.7	F70 I72 M80 S87 K88 S89 R93 A94 R95 M138	F70-V91 HydrophobicContact CB-CG1 3.82Å; F70-V91 HydrophobicContact CB-CG2 4.13Å; F70-V91 HydrophobicContact CD1-CG1 4.21Å; F70-V91 HydrophobicContact CD2-CG2 3.7Å; F70-V91 HydrophobicContact CE2-CG2 4.28Å; F70-V91 HydrophobicContact CG-CG1 3.96Å; F70-V91 HydrophobicContact CG-CG2 3.89Å; I72-V91 HydrophobicContact CD1-CG1 3.91Å; M80-V91 HydrophobicContact CE-CG2 4.43Å; M80-V91 HydrophobicContact CG-CG2 3.58Å; M80-V91 HydrophobicContact SD-CG2 3.81Å; S87-V91 VanDerWaalsContact O-CG2 3.28Å; S87-V91 WeakPolarHBondContact O-CG2 3.01Å; S87-V91 PolarHBondContact O-N 3.23Å; K88-V91 PolarHBondContact O-N 2.8Å; S89-V91 PolarHBondContact O-N 2.96Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 3.26Å; V91-A94 PolarHBondContact O-N 2.91Å; V91-R95 WeakPolarHBondContact O-CG 3.34Å; V91-R95 PolarHBondContact O-N 2.99Å; V91-M138 HydrophobicContact CG2-CE 4.2Å
92	Q	98.8	Very high	98.3	Very high	117 Å²	117	53.4 Å²	53.4	55%	0.547	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-39.7	177.1	-68.5	-61.9	-5	0	0	111.7	K88 S89 R95 Y96	K88-Q92 WeakPolarHBondContact O-CG 3.41Å; K88-Q92 PolarHBondContact O-N 3.1Å; S89-Q92 PolarHBondContact O-N 3.44Å; Q92-R95 PolarHBondContact O-N 2.9Å; Q92-Y96 PolarHBondContact O-N 2.94Å
93	R	98.7	Very high	98.4	Very high	99 Å²	99	62.7 Å²	62.7	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-40.6	175.1	-175.5	59.6	-180	-155.2	0.6	112.2	S89 Q90 V91 Y96 E97 M118 I121	S89-R93 PolarHBondContact O-N 3.14Å; Q90-R93 PolarHBondContact O-N 3.28Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 3.26Å; R93-Y96 WeakPolarHBondContact O-CB 2.87Å; R93-Y96 PolarHBondContact O-N 3.36Å; R93-E97 HydrophobicContact CG-CG 4.41Å; R93-E97 IonicContact CZ-OE1 2.84Å; R93-E97 IonicContact NE-OE1 3.81Å; R93-E97 PolarHBondContact NE-OE1 3.34Å; R93-E97 IonicContact NH2-OE1 3.14Å; R93-E97 PolarHBondContact NH2-OE1 2.98Å; R93-E97 WeakPolarHBondContact O-CG 3.48Å; R93-E97 PolarHBondContact O-N 2.94Å; R93-M118 HydrophobicContact CB-CE 3.96Å; R93-M118 HydrophobicContact CG-CE 3.97Å; R93-M118 HydrophobicContact CG-SD 4.26Å; R93-I121 HydrophobicContact CG-CD1 3.89Å
94	A	98.8	Very high	98.4	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-44.9	176.2	0	0	0	0	0	112	I72 Q90 V91 Y96 E97 A98 L114 M118 M138	I72-A94 HydrophobicContact CD1-CB 4.02Å; I72-A94 HydrophobicContact CG2-CB 4.16Å; Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 3.48Å; V91-A94 PolarHBondContact O-N 2.91Å; A94-Y96 VanDerWaalsContact C-N 3.34Å; A94-Y96 PolarHBondContact O-N 3.4Å; A94-E97 PolarHBondContact O-N 3.45Å; A94-A98 WeakPolarHBondContact O-CB 3.49Å; A94-A98 PolarHBondContact O-N 2.79Å; A94-L114 HydrophobicContact CB-CD1 4.31Å; A94-M118 VanDerWaalsContact CA-SD 3.56Å; A94-M118 HydrophobicContact CB-CE 4.21Å; A94-M118 HydrophobicContact CB-CG 4.15Å; A94-M118 HydrophobicContact CB-SD 3.81Å; A94-M138 HydrophobicContact CB-CE 4.1Å; A94-M138 HydrophobicContact CB-SD 4.42Å
95	R	98.8	Very high	98.5	Very high	83 Å²	83	68.6 Å²	68.6	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-44.7	174.2	-74.1	172.6	173.4	165.9	-2.5	112.2	K71 I72 V91 Q92 A98 A99	K71-R95 PolarHBondContact O-NE 2.94Å; K71-R95 PolarHBondContact O-NH2 3.47Å; I72-R95 HydrophobicContact CD1-CG 4.21Å; I72-R95 HydrophobicContact CG2-CG 4.18Å; V91-R95 WeakPolarHBondContact O-CG 3.34Å; V91-R95 PolarHBondContact O-N 2.99Å; Q92-R95 PolarHBondContact O-N 2.9Å; R95-A98 PolarHBondContact O-N 2.85Å; R95-A99 WeakPolarHBondContact O-CB 3.48Å; R95-A99 PolarHBondContact O-N 3.29Å
96	Y	98.8	Very high	98.5	Very high	132 Å²	132	68.2 Å²	68.2	52%	0.518	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-49.4	177.3	173.4	-92.3	0	0	0	112	Q92 R93 A94 A98 A99 N100	Q92-Y96 PolarHBondContact O-N 2.94Å; R93-Y96 WeakPolarHBondContact O-CB 2.87Å; R93-Y96 PolarHBondContact O-N 3.36Å; A94-Y96 VanDerWaalsContact C-N 3.34Å; A94-Y96 PolarHBondContact O-N 3.4Å; Y96-A98 VanDerWaalsContact C-N 3.35Å; Y96-A98 PolarHBondContact O-N 3.06Å; Y96-A99 PolarHBondContact O-N 3.03Å; Y96-N100 WeakPolarHBondContact O-CB 3.33Å; Y96-N100 PolarHBondContact O-N 2.97Å
97	E	98.7	Very high	98.4	Very high	14 Å²	14	73.7 Å²	73.7	7%	0.065	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-39.8	-179.4	-67.5	-72.7	171.9	0	0	111.5	R93 A94 N100 W101 R117 I121	R93-E97 HydrophobicContact CG-CG 4.41Å; R93-E97 IonicContact CZ-OE1 2.84Å; R93-E97 IonicContact NE-OE1 3.81Å; R93-E97 PolarHBondContact NE-OE1 3.34Å; R93-E97 IonicContact NH2-OE1 3.14Å; R93-E97 PolarHBondContact NH2-OE1 2.98Å; R93-E97 WeakPolarHBondContact O-CG 3.48Å; R93-E97 PolarHBondContact O-N 2.94Å; A94-E97 PolarHBondContact O-N 3.45Å; E97-N100 PolarHBondContact O-N 3.28Å; E97-W101 WeakPolarHBondContact O-CB 3.47Å; E97-W101 PolarHBondContact O-N 2.88Å; E97-R117 HydrophobicContact CB-CG 4.13Å; E97-R117 VanDerWaalsContact CD-NE 3.3Å; E97-R117 HydrophobicContact CG-CG 3.91Å; E97-R117 IonicContact OE1-CZ 2.7Å; E97-R117 IonicContact OE1-NE 2.82Å; E97-R117 PolarHBondContact OE1-NE 2.91Å; E97-R117 IonicContact OE1-NH2 2.87Å; E97-R117 PolarHBondContact OE1-NH2 2.99Å; E97-R117 VanDerWaalsContact OE1-NH2 3.16Å; E97-R117 IonicContact OE2-CZ 2.68Å; E97-R117 IonicContact OE2-NE 3.39Å; E97-R117 PolarHBondContact OE2-NE 3.46Å; E97-R117 IonicContact OE2-NH2 2.75Å; E97-I121 HydrophobicContact CG-CD1 4.11Å
98	A	98.6	Very high	98.4	Very high	1 Å²	1	76.3 Å²	76.3	1%	0.008	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-45.4	176.3	0	0	0	0	0	112.7	I72 T73 A94 R95 Y96 W101 K102 I109 L114	I72-A98 HydrophobicContact CG2-CB 4.12Å; T73-A98 HydrophobicContact CG2-CB 3.53Å; A94-A98 WeakPolarHBondContact O-CB 3.49Å; A94-A98 PolarHBondContact O-N 2.79Å; R95-A98 PolarHBondContact O-N 2.85Å; Y96-A98 VanDerWaalsContact C-N 3.35Å; Y96-A98 PolarHBondContact O-N 3.06Å; A98-W101 WeakPolarHBondContact O-CB 3.46Å; A98-W101 PolarHBondContact O-N 3.46Å; A98-K102 PolarHBondContact O-N 3.3Å; A98-I109 HydrophobicContact CB-CG2 3.7Å; A98-L114 HydrophobicContact CB-CD1 4.22Å
99	A	98.6	Very high	98.4	Very high	64 Å²	64	71 Å²	71	53%	0.529	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-41.3	176.8	0	0	0	0	0	111.9	R95 Y96 W101 K102 Y103	R95-A99 WeakPolarHBondContact O-CB 3.48Å; R95-A99 PolarHBondContact O-N 3.29Å; Y96-A99 PolarHBondContact O-N 3.03Å; A99-W101 VanDerWaalsContact C-N 3.33Å; A99-W101 PolarHBondContact O-N 3.44Å; A99-K102 PolarHBondContact O-N 3.02Å; A99-Y103 PolarHBondContact O-N 3.23Å
100	N	98.6	Very high	98.3	Very high	35 Å²	35	69 Å²	69	19%	0.187	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-35.9	177.2	-175.9	48.8	0	0	0	112.2	Y96 E97 Y103 K104	Y96-N100 WeakPolarHBondContact O-CB 3.33Å; Y96-N100 PolarHBondContact O-N 2.97Å; E97-N100 PolarHBondContact O-N 3.28Å; N100-Y103 PolarHBondContact O-N 2.88Å; N100-K104 WeakPolarHBondContact O-CB 3.36Å; N100-K104 WeakPolarHBondContact O-CG 3.28Å; N100-K104 PolarHBondContact O-N 2.84Å; N100-K104 VanDerWaalsContact OD1-CE 3.28Å; N100-K104 WeakPolarHBondContact OD1-CE 3.26Å
101	W	98.7	Very high	98.2	Very high	37 Å²	37	69 Å²	69	14%	0.14	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-53.3	172.3	-179.5	-77.7	0	0	0	111	E97 A98 A99 Y103 K104 Y105 Y107 I109 M113	E97-W101 WeakPolarHBondContact O-CB 3.47Å; E97-W101 PolarHBondContact O-N 2.88Å; A98-W101 WeakPolarHBondContact O-CB 3.46Å; A98-W101 PolarHBondContact O-N 3.46Å; A99-W101 VanDerWaalsContact C-N 3.33Å; A99-W101 PolarHBondContact O-N 3.44Å; W101-Y103 VanDerWaalsContact C-N 3.28Å; W101-Y103 PolarHBondContact O-N 3.46Å; W101-K104 PolarHBondContact O-N 2.8Å; W101-K104 VanDerWaalsContact O-N 3.1Å; W101-Y105 HydrophobicContact CB-CD2 4.34Å; W101-Y105 AromaticContact CD1-CD2 3.98Å; W101-Y105 AromaticContact CD2-CD2 3.45Å; W101-Y105 HydrophobicContact CD2-CD2 3.45Å; W101-Y105 VanDerWaalsContact CD2-CD2 3.45Å; W101-Y105 AromaticContact CD2-CE2 3.74Å; W101-Y105 HydrophobicContact CD2-CE2 3.74Å; W101-Y105 AromaticContact CE2-CD2 3.66Å; W101-Y105 AromaticContact CE3-CD2 3.85Å; W101-Y105 HydrophobicContact CE3-CD2 3.85Å; W101-Y105 AromaticContact CE3-CE2 3.6Å; W101-Y105 HydrophobicContact CE3-CE2 3.6Å; W101-Y105 AromaticContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CE2 4.27Å; W101-Y105 HydrophobicContact CH2-CE2 4.38Å; W101-Y105 HydrophobicContact CZ2-CD2 4.22Å; W101-Y105 HydrophobicContact CZ3-CD2 4.36Å; W101-Y105 AromaticContact CZ3-CE2 3.94Å; W101-Y105 HydrophobicContact CZ3-CE2 3.94Å; W101-Y105 AromaticContact NE1-CD2 3.94Å; W101-Y105 VanDerWaalsContact O-CD2 3.31Å; W101-Y105 WeakPolarHBondContact O-CD2 3.49Å; W101-Y105 PolarHBondContact O-N 2.83Å; W101-Y107 HydrophobicContact CZ2-CE2 4.21Å; W101-Y107 AromaticContact CZ2-CZ 3.84Å; W101-Y107 WeakPolarHBondContact CZ2-OH 3.46Å; W101-Y107 AromaticContact NE1-CE2 3.65Å; W101-Y107 AromaticContact NE1-CZ 3.69Å; W101-I109 HydrophobicContact CB-CB 3.96Å; W101-I109 HydrophobicContact CB-CD1 3.94Å; W101-I109 HydrophobicContact CB-CG1 4.2Å; W101-I109 HydrophobicContact CD2-CB 4.03Å; W101-I109 HydrophobicContact CD2-CD1 3.83Å; W101-I109 HydrophobicContact CD2-CG1 3.62Å; W101-I109 HydrophobicContact CE3-CD1 3.74Å; W101-I109 HydrophobicContact CE3-CG1 3.94Å; W101-I109 HydrophobicContact CG-CB 3.6Å; W101-I109 HydrophobicContact CG-CD1 3.93Å; W101-I109 HydrophobicContact CG-CG1 3.73Å; W101-M113 HydrophobicContact CH2-CB 4.16Å; W101-M113 HydrophobicContact CH2-CE 3.76Å; W101-M113 HydrophobicContact CH2-CG 4.07Å; W101-M113 HydrophobicContact CZ3-CB 4.3Å; W101-M113 HydrophobicContact CZ3-CE 3.83Å
102	K	98	Very high	98.2	Very high	105 Å²	105	71.4 Å²	71.4	46%	0.457	33%	0.334	S	S	.	.	H	α-helix	trans	-58.8	-41.3	179	-172.3	175.4	-171.3	166.7	0	112.3	A98 A99 K104 G106 Y107 E108	A98-K102 PolarHBondContact O-N 3.3Å; A99-K102 PolarHBondContact O-N 3.02Å; K102-K104 PolarHBondContact O-N 3.04Å; K102-G106 VanDerWaalsContact O-CA 3.28Å; K102-G106 WeakPolarHBondContact O-CA 3.16Å; K102-G106 PolarHBondContact O-N 2.85Å; K102-Y107 WeakPolarHBondContact CA-O 3.5Å; K102-E108 WeakPolarHBondContact CD-OE1 3.34Å; K102-E108 WeakPolarHBondContact CE-OE1 3.17Å; K102-E108 IonicContact NZ-OE1 3Å; K102-E108 PolarHBondContact NZ-OE1 3.05Å
103	Y	98.2	Very high	98.1	Very high	201 Å²	201	68.6 Å²	68.6	79%	0.788	32%	0.322	S	S	*	.	H	α-helix	trans	-61.2	-42.4	175.7	175.8	-102.6	0	0	0	112.8	A99 N100 W101	A99-Y103 PolarHBondContact O-N 3.23Å; N100-Y103 PolarHBondContact O-N 2.88Å; W101-Y103 VanDerWaalsContact C-N 3.28Å; W101-Y103 PolarHBondContact O-N 3.46Å
104	K	98.4	Very high	98.1	Very high	129 Å²	129	63.9 Å²	63.9	56%	0.561	30%	0.304	S	S	*	.	H	α-helix	trans	-80.7	-38.8	-176.1	-73.3	-179.9	175.3	-173.3	0	114	N100 W101 K102	N100-K104 WeakPolarHBondContact O-CB 3.36Å; N100-K104 WeakPolarHBondContact O-CG 3.28Å; N100-K104 PolarHBondContact O-N 2.84Å; N100-K104 VanDerWaalsContact OD1-CE 3.28Å; N100-K104 WeakPolarHBondContact OD1-CE 3.26Å; W101-K104 PolarHBondContact O-N 2.8Å; W101-K104 VanDerWaalsContact O-N 3.1Å; K102-K104 PolarHBondContact O-N 3.04Å
105	Y	98.2	Very high	98.1	Very high	138 Å²	138	63.9 Å²	63.9	54%	0.541	30%	0.304	S	S	.	.	H	α-helix	trans	-109.9	-13.1	-169	-55.8	-65	0	0	0	113.4	W101 Y107	W101-Y105 HydrophobicContact CB-CD2 4.34Å; W101-Y105 AromaticContact CD1-CD2 3.98Å; W101-Y105 AromaticContact CD2-CD2 3.45Å; W101-Y105 HydrophobicContact CD2-CD2 3.45Å; W101-Y105 VanDerWaalsContact CD2-CD2 3.45Å; W101-Y105 AromaticContact CD2-CE2 3.74Å; W101-Y105 HydrophobicContact CD2-CE2 3.74Å; W101-Y105 AromaticContact CE2-CD2 3.66Å; W101-Y105 AromaticContact CE3-CD2 3.85Å; W101-Y105 HydrophobicContact CE3-CD2 3.85Å; W101-Y105 AromaticContact CE3-CE2 3.6Å; W101-Y105 HydrophobicContact CE3-CE2 3.6Å; W101-Y105 AromaticContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CE2 4.27Å; W101-Y105 HydrophobicContact CH2-CE2 4.38Å; W101-Y105 HydrophobicContact CZ2-CD2 4.22Å; W101-Y105 HydrophobicContact CZ3-CD2 4.36Å; W101-Y105 AromaticContact CZ3-CE2 3.94Å; W101-Y105 HydrophobicContact CZ3-CE2 3.94Å; W101-Y105 AromaticContact NE1-CD2 3.94Å; W101-Y105 VanDerWaalsContact O-CD2 3.31Å; W101-Y105 WeakPolarHBondContact O-CD2 3.49Å; W101-Y105 PolarHBondContact O-N 2.83Å; Y105-Y107 VanDerWaalsContact C-N 3.33Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.13Å; Y105-Y107 PolarHBondContact O-N 3.22Å
106	G	97.9	Very high	98.1	Very high	66 Å²	66	63.8 Å²	63.8	68%	0.68	31%	0.306	S	S	*	.	S	Bend	trans	81.8	0.8	173.2	0	0	0	0	0	115.8	K102	K102-G106 VanDerWaalsContact O-CA 3.28Å; K102-G106 WeakPolarHBondContact O-CA 3.16Å; K102-G106 PolarHBondContact O-N 2.85Å
107	Y	97.1	Very high	98.1	Very high	127 Å²	127	62.2 Å²	62.2	50%	0.498	30%	0.299	S	S	.	.	S	Bend	trans	-133.1	165.8	176.8	68.9	-82.6	0	0	0	111.6	W101 K102 Y105 P110	W101-Y107 HydrophobicContact CZ2-CE2 4.21Å; W101-Y107 AromaticContact CZ2-CZ 3.84Å; W101-Y107 WeakPolarHBondContact CZ2-OH 3.46Å; W101-Y107 AromaticContact NE1-CE2 3.65Å; W101-Y107 AromaticContact NE1-CZ 3.69Å; K102-Y107 WeakPolarHBondContact CA-O 3.5Å; Y105-Y107 VanDerWaalsContact C-N 3.33Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.13Å; Y105-Y107 PolarHBondContact O-N 3.22Å; Y107-P110 HydrophobicContact CE2-CG 4.31Å
108	E	96.9	Very high	98.1	Very high	58 Å²	58	61.7 Å²	61.7	27%	0.271	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-65.2	145.3	178.8	-75.5	-63.9	152.6	0	0	111.7	K102 P110	K102-E108 WeakPolarHBondContact CD-OE1 3.34Å; K102-E108 WeakPolarHBondContact CE-OE1 3.17Å; K102-E108 IonicContact NZ-OE1 3Å; K102-E108 PolarHBondContact NZ-OE1 3.05Å; E108-P110 WeakPolarHBondContact O-CD 3.43Å
109	I	98.1	Very high	98.1	Very high	9 Å²	9	61.6 Å²	61.6	5%	0.046	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-70	132.3	179.2	-169.4	167.6	0	0	0	110.4	I76 A98 W101 M113 L114	I76-I109 HydrophobicContact CD1-CG2 3.74Å; I76-I109 WeakPolarHBondContact CD1-O 3.3Å; A98-I109 HydrophobicContact CB-CG2 3.7Å; W101-I109 HydrophobicContact CB-CB 3.96Å; W101-I109 HydrophobicContact CB-CD1 3.94Å; W101-I109 HydrophobicContact CB-CG1 4.2Å; W101-I109 HydrophobicContact CD2-CB 4.03Å; W101-I109 HydrophobicContact CD2-CD1 3.83Å; W101-I109 HydrophobicContact CD2-CG1 3.62Å; W101-I109 HydrophobicContact CE3-CD1 3.74Å; W101-I109 HydrophobicContact CE3-CG1 3.94Å; W101-I109 HydrophobicContact CG-CB 3.6Å; W101-I109 HydrophobicContact CG-CD1 3.93Å; W101-I109 HydrophobicContact CG-CG1 3.73Å; I109-M113 HydrophobicContact CD1-CB 4.49Å; I109-M113 HydrophobicContact CG1-CB 4.11Å; I109-L114 HydrophobicContact CD1-CB 3.87Å; I109-L114 HydrophobicContact CD1-CD1 4.18Å; I109-L114 HydrophobicContact CG1-CB 4.2Å; I109-L114 HydrophobicContact CG2-CB 4.25Å
110	P	97.8	Very high	98.1	Very high	27 Å²	27	62.1 Å²	62.1	18%	0.175	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-63	146.5	169.3	-27.3	38.3	0	0	0	112.3	Y107 E108 D112 M113 L114	Y107-P110 HydrophobicContact CE2-CG 4.31Å; E108-P110 WeakPolarHBondContact O-CD 3.43Å; P110-D112 VanDerWaalsContact C-N 3.29Å; P110-D112 WeakPolarHBondContact CB-OD1 3.45Å; P110-D112 PolarHBondContact O-N 3.45Å; P110-M113 HydrophobicContact CB-CB 4.22Å; P110-M113 HydrophobicContact CB-CG 4.15Å; P110-M113 HydrophobicContact CG-CG 4.33Å; P110-M113 PolarHBondContact O-N 2.85Å; P110-L114 PolarHBondContact O-N 3.44Å
111	V	96.9	Very high	98	Very high	6 Å²	6	61.6 Å²	61.6	4%	0.036	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-39.7	-176.1	-178.8	0	0	0	0	111.7	I76 C115 V140 Q150 Y152	I76-V111 HydrophobicContact CD1-CG2 4.37Å; I76-V111 HydrophobicContact CG1-CG2 4.28Å; V111-C115 WeakPolarHBondContact O-CB 3.39Å; V111-C115 PolarHBondContact O-N 3.16Å; V111-V140 HydrophobicContact CG1-CB 4.19Å; V111-V140 HydrophobicContact CG1-CG1 3.82Å; V111-Q150 HydrophobicContact CB-CB 4.22Å; V111-Q150 HydrophobicContact CG1-CB 4.31Å; V111-Q150 HydrophobicContact CG2-CB 4.39Å; V111-Y152 HydrophobicContact CB-CD2 4.43Å; V111-Y152 HydrophobicContact CG1-CD2 3.84Å; V111-Y152 HydrophobicContact CG1-CG 4.45Å
112	D	97.3	Very high	98	Very high	51 Å²	51	59.9 Å²	59.9	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-42.8	177.8	70.3	-50.6	0	0	0	111.3	P110 C115 K116 Y152	P110-D112 VanDerWaalsContact C-N 3.29Å; P110-D112 WeakPolarHBondContact CB-OD1 3.45Å; P110-D112 PolarHBondContact O-N 3.45Å; D112-C115 PolarHBondContact O-N 3.08Å; D112-K116 VanDerWaalsContact O-CB 3.29Å; D112-K116 WeakPolarHBondContact O-CB 3.41Å; D112-K116 PolarHBondContact O-N 2.95Å; D112-Y152 HydrophobicContact CB-CD1 4.47Å; D112-Y152 HydrophobicContact CB-CE1 3.74Å; D112-Y152 HydrophobicContact CB-CE2 3.84Å; D112-Y152 WeakPolarHBondContact CB-OH 3.48Å
113	M	98.2	Very high	98	Very high	59 Å²	59	58.3 Å²	58.3	29%	0.291	28%	0.275	S	S	.	.	H	α-helix	trans	-68.4	-39.6	179	-72.2	-56.8	-64.2	0	0	112.1	W101 I109 P110 K116 R117	W101-M113 HydrophobicContact CH2-CB 4.16Å; W101-M113 HydrophobicContact CH2-CE 3.76Å; W101-M113 HydrophobicContact CH2-CG 4.07Å; W101-M113 HydrophobicContact CZ3-CB 4.3Å; W101-M113 HydrophobicContact CZ3-CE 3.83Å; I109-M113 HydrophobicContact CD1-CB 4.49Å; I109-M113 HydrophobicContact CG1-CB 4.11Å; P110-M113 HydrophobicContact CB-CB 4.22Å; P110-M113 HydrophobicContact CB-CG 4.15Å; P110-M113 HydrophobicContact CG-CG 4.33Å; P110-M113 PolarHBondContact O-N 2.85Å; M113-K116 HydrophobicContact SD-CD 4.34Å; M113-R117 WeakPolarHBondContact O-CB 3.35Å; M113-R117 PolarHBondContact O-N 2.88Å
114	L	98.5	Very high	98	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-48.6	172.3	179	64.8	0	0	0	110.6	I72 I76 A94 A98 I109 P110 K116 R117 M118 V140	I72-L114 HydrophobicContact CG2-CD2 3.9Å; I76-L114 HydrophobicContact CD1-CD2 3.98Å; I76-L114 HydrophobicContact CG2-CD2 3.85Å; A94-L114 HydrophobicContact CB-CD1 4.31Å; A98-L114 HydrophobicContact CB-CD1 4.22Å; I109-L114 HydrophobicContact CD1-CB 3.87Å; I109-L114 HydrophobicContact CD1-CD1 4.18Å; I109-L114 HydrophobicContact CG1-CB 4.2Å; I109-L114 HydrophobicContact CG2-CB 4.25Å; P110-L114 PolarHBondContact O-N 3.44Å; L114-K116 PolarHBondContact O-N 2.9Å; L114-R117 PolarHBondContact O-N 3.46Å; L114-M118 HydrophobicContact CD1-CG 4.47Å; L114-M118 WeakPolarHBondContact O-CG 3.39Å; L114-M118 PolarHBondContact O-N 2.88Å; L114-V140 HydrophobicContact CD2-CG1 4.3Å
115	C	97.9	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-42	-178.7	-163.1	0	0	0	0	111.7	V111 D112 R117 M118 A119 Y152 Y160	V111-C115 WeakPolarHBondContact O-CB 3.39Å; V111-C115 PolarHBondContact O-N 3.16Å; D112-C115 PolarHBondContact O-N 3.08Å; C115-R117 PolarHBondContact O-N 3.31Å; C115-M118 PolarHBondContact O-N 2.88Å; C115-A119 WeakPolarHBondContact O-CB 3.33Å; C115-A119 PolarHBondContact O-N 3.04Å; C115-Y152 HydrophobicContact CB-CD1 4.3Å; C115-Y152 HydrophobicContact CB-CG 4.26Å; C115-Y160 HydrophobicContact CB-CD2 4.04Å
116	K	98.5	Very high	97.9	Very high	81 Å²	81	42.5 Å²	42.5	35%	0.352	22%	0.218	S	C	.	.	H	α-helix	trans	-55.4	-50.9	171.8	-176.6	178.9	-177.8	175.8	0	111.5	D112 M113 L114 M118 A119 D120 Y160	D112-K116 VanDerWaalsContact O-CB 3.29Å; D112-K116 WeakPolarHBondContact O-CB 3.41Å; D112-K116 PolarHBondContact O-N 2.95Å; M113-K116 HydrophobicContact SD-CD 4.34Å; L114-K116 PolarHBondContact O-N 2.9Å; K116-M118 VanDerWaalsContact C-N 3.28Å; K116-M118 PolarHBondContact O-N 3.16Å; K116-A119 WeakPolarHBondContact O-CB 3.37Å; K116-A119 PolarHBondContact O-N 3.42Å; K116-D120 PolarHBondContact O-N 3.05Å; K116-Y160 HydrophobicContact CB-CD1 4.41Å; K116-Y160 HydrophobicContact CB-CD2 4.43Å; K116-Y160 HydrophobicContact CB-CE1 3.77Å; K116-Y160 HydrophobicContact CB-CE2 3.78Å; K116-Y160 VanDerWaalsContact CB-CZ 3.43Å; K116-Y160 HydrophobicContact CD-CE1 4.48Å; K116-Y160 WeakPolarHBondContact CD-OH 3.34Å; K116-Y160 HydrophobicContact CG-CE1 3.69Å; K116-Y160 WeakPolarHBondContact CG-OH 3.44Å
117	R	98.5	Very high	97.9	Very high	99 Å²	99	45.7 Å²	45.7	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-60.5	-40.3	-178.7	-177.8	57.2	175.6	158.2	8.6	111.9	E97 M113 L114 C115 I121	E97-R117 HydrophobicContact CB-CG 4.13Å; E97-R117 VanDerWaalsContact CD-NE 3.3Å; E97-R117 HydrophobicContact CG-CG 3.91Å; E97-R117 IonicContact OE1-CZ 2.7Å; E97-R117 IonicContact OE1-NE 2.82Å; E97-R117 PolarHBondContact OE1-NE 2.91Å; E97-R117 IonicContact OE1-NH2 2.87Å; E97-R117 PolarHBondContact OE1-NH2 2.99Å; E97-R117 VanDerWaalsContact OE1-NH2 3.16Å; E97-R117 IonicContact OE2-CZ 2.68Å; E97-R117 IonicContact OE2-NE 3.39Å; E97-R117 PolarHBondContact OE2-NE 3.46Å; E97-R117 IonicContact OE2-NH2 2.75Å; M113-R117 WeakPolarHBondContact O-CB 3.35Å; M113-R117 PolarHBondContact O-N 2.88Å; L114-R117 PolarHBondContact O-N 3.46Å; C115-R117 PolarHBondContact O-N 3.31Å; R117-I121 HydrophobicContact CG-CD1 4.27Å; R117-I121 WeakPolarHBondContact O-CD1 3.24Å; R117-I121 VanDerWaalsContact O-CG1 3.3Å; R117-I121 WeakPolarHBondContact O-CG1 3.25Å; R117-I121 PolarHBondContact O-N 3.42Å; R117-I121 VanDerWaalsContact O-N 3.14Å
118	M	98.5	Very high	97.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-37.6	175.5	-66.1	-45.9	-62.1	0	0	112.2	Q90 R93 A94 L114 C115 K116 I121 S122 M138	Q90-M118 HydrophobicContact CG-CE 3.42Å; Q90-M118 VanDerWaalsContact CG-CE 3.42Å; Q90-M118 WeakPolarHBondContact O-CE 3.27Å; R93-M118 HydrophobicContact CB-CE 3.96Å; R93-M118 HydrophobicContact CG-CE 3.97Å; R93-M118 HydrophobicContact CG-SD 4.26Å; A94-M118 VanDerWaalsContact CA-SD 3.56Å; A94-M118 HydrophobicContact CB-CE 4.21Å; A94-M118 HydrophobicContact CB-CG 4.15Å; A94-M118 HydrophobicContact CB-SD 3.81Å; L114-M118 HydrophobicContact CD1-CG 4.47Å; L114-M118 WeakPolarHBondContact O-CG 3.39Å; L114-M118 PolarHBondContact O-N 2.88Å; C115-M118 PolarHBondContact O-N 2.88Å; K116-M118 VanDerWaalsContact C-N 3.28Å; K116-M118 PolarHBondContact O-N 3.16Å; M118-I121 PolarHBondContact O-N 2.93Å; M118-I121 HydrophobicContact SD-CD1 4.41Å; M118-S122 PolarHBondContact O-N 3.13Å; M118-S122 PolarHBondContact O-OG 3.26Å; M118-S122 VanDerWaalsContact O-OG 3.13Å; M118-M138 HydrophobicContact CG-SD 4.37Å
119	A	98.5	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-43.4	176.1	0	0	0	0	0	112.1	C115 K116 I121 S122 Q123 C154 G158 Y160	C115-A119 WeakPolarHBondContact O-CB 3.33Å; C115-A119 PolarHBondContact O-N 3.04Å; K116-A119 WeakPolarHBondContact O-CB 3.37Å; K116-A119 PolarHBondContact O-N 3.42Å; A119-I121 VanDerWaalsContact C-N 3.31Å; A119-I121 PolarHBondContact O-N 2.92Å; A119-S122 WeakPolarHBondContact O-CB 3.37Å; A119-S122 PolarHBondContact O-N 3.31Å; A119-S122 VanDerWaalsContact O-N 3.14Å; A119-Q123 PolarHBondContact O-N 3.15Å; A119-C154 HydrophobicContact CB-CB 4.16Å; A119-G158 WeakPolarHBondContact CB-O 3.4Å; A119-G158 VanDerWaalsContact O-CA 3.24Å; A119-G158 WeakPolarHBondContact O-CA 3.44Å; A119-Y160 HydrophobicContact CB-CD1 3.79Å; A119-Y160 HydrophobicContact CB-CG 4.11Å
120	D	98.6	Very high	97.6	Very high	74 Å²	74	47.7 Å²	47.7	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-41.9	175.2	-67.9	-20.1	0	0	0	111.3	K116 Q123 V124	K116-D120 PolarHBondContact O-N 3.05Å; D120-Q123 PolarHBondContact O-N 3.35Å; D120-V124 PolarHBondContact O-N 2.95Å
121	I	98.3	Very high	97.5	Very high	24 Å²	24	50.4 Å²	50.4	12%	0.123	25%	0.25	C	S	.	.	H	α-helix	trans	-66.2	-42.5	175.8	-67.1	163.5	0	0	0	110.7	R93 E97 R117 M118 A119 Q123 V124 Y125	R93-I121 HydrophobicContact CG-CD1 3.89Å; E97-I121 HydrophobicContact CG-CD1 4.11Å; R117-I121 HydrophobicContact CG-CD1 4.27Å; R117-I121 WeakPolarHBondContact O-CD1 3.24Å; R117-I121 VanDerWaalsContact O-CG1 3.3Å; R117-I121 WeakPolarHBondContact O-CG1 3.25Å; R117-I121 PolarHBondContact O-N 3.42Å; R117-I121 VanDerWaalsContact O-N 3.14Å; M118-I121 PolarHBondContact O-N 2.93Å; M118-I121 HydrophobicContact SD-CD1 4.41Å; A119-I121 VanDerWaalsContact C-N 3.31Å; A119-I121 PolarHBondContact O-N 2.92Å; I121-Q123 VanDerWaalsContact C-N 3.27Å; I121-Q123 PolarHBondContact O-N 2.69Å; I121-V124 WeakPolarHBondContact O-CB 3.22Å; I121-V124 PolarHBondContact O-N 2.86Å; I121-Y125 HydrophobicContact CG2-CE2 4.22Å
122	S	97.9	Very high	97.5	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-37.3	175.6	-67.4	0	0	0	0	112.2	Q90 M118 A119 V124 Y125	Q90-S122 PolarHBondContact NE2-OG 2.87Å; M118-S122 PolarHBondContact O-N 3.13Å; M118-S122 PolarHBondContact O-OG 3.26Å; M118-S122 VanDerWaalsContact O-OG 3.13Å; A119-S122 WeakPolarHBondContact O-CB 3.37Å; A119-S122 PolarHBondContact O-N 3.31Å; A119-S122 VanDerWaalsContact O-N 3.14Å; S122-V124 VanDerWaalsContact C-N 3.27Å; S122-V124 PolarHBondContact O-N 2.75Å; S122-Y125 WeakPolarHBondContact O-CB 3.47Å; S122-Y125 PolarHBondContact O-N 3Å; S122-Y125 VanDerWaalsContact O-N 3.09Å
123	Q	98.2	Very high	97.6	Very high	72 Å²	72	53.5 Å²	53.5	34%	0.336	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-33.8	178.9	-172.6	-80.1	-24.5	0	0	112.1	A119 D120 I121 Y125 T126 Q127	A119-Q123 PolarHBondContact O-N 3.15Å; D120-Q123 PolarHBondContact O-N 3.35Å; I121-Q123 VanDerWaalsContact C-N 3.27Å; I121-Q123 PolarHBondContact O-N 2.69Å; Q123-Y125 PolarHBondContact O-N 3.35Å; Q123-T126 PolarHBondContact O-N 3Å; Q123-T126 PolarHBondContact O-OG1 3.4Å; Q123-Q127 PolarHBondContact O-N 2.93Å
124	V	98.3	Very high	97.6	Very high	64 Å²	64	51.9 Å²	51.9	39%	0.388	25%	0.25	S	S	.	.	H	α-helix	trans	-57.9	-40	174.6	178.4	0	0	0	0	111	D120 I121 S122 T126 Q127 N128	D120-V124 PolarHBondContact O-N 2.95Å; I121-V124 WeakPolarHBondContact O-CB 3.22Å; I121-V124 PolarHBondContact O-N 2.86Å; S122-V124 VanDerWaalsContact C-N 3.27Å; S122-V124 PolarHBondContact O-N 2.75Å; V124-T126 PolarHBondContact O-N 3.18Å; V124-Q127 PolarHBondContact O-N 3.16Å; V124-N128 WeakPolarHBondContact O-CB 3.47Å; V124-N128 PolarHBondContact O-N 2.67Å
125	Y	97	Very high	97.5	Very high	58 Å²	58	52 Å²	52	23%	0.227	25%	0.251	C	S	.	.	H	α-helix	trans	-69	-15.9	176.9	-55.3	-53.5	0	0	0	114.1	I121 S122 Q123 M131 L134	I121-Y125 HydrophobicContact CG2-CE2 4.22Å; S122-Y125 WeakPolarHBondContact O-CB 3.47Å; S122-Y125 PolarHBondContact O-N 3Å; S122-Y125 VanDerWaalsContact O-N 3.09Å; Q123-Y125 PolarHBondContact O-N 3.35Å; Y125-M131 HydrophobicContact CD1-CB 4.13Å; Y125-M131 HydrophobicContact CD1-CE 3.96Å; Y125-M131 HydrophobicContact CD1-SD 4.06Å; Y125-M131 HydrophobicContact CE1-CE 4.02Å; Y125-M131 HydrophobicContact CE1-SD 3.84Å; Y125-L134 HydrophobicContact CD2-CG 4.24Å; Y125-L134 HydrophobicContact CE2-CD1 4.11Å; Y125-L134 HydrophobicContact CE2-CG 4.05Å
126	T	97.3	Very high	97.5	Very high	14 Å²	14	52 Å²	52	9%	0.086	25%	0.251	C	S	.	.	H	α-helix	trans	-90.3	-15.5	176.7	73.8	0	0	0	0	112.2	T14 V25 Q123 V124 P133 P156	T14-T126 VanDerWaalsContact CB-O 3.29Å; T14-T126 WeakPolarHBondContact CB-O 3.2Å; V25-T126 HydrophobicContact CG2-CG2 3.89Å; Q123-T126 PolarHBondContact O-N 3Å; Q123-T126 PolarHBondContact O-OG1 3.4Å; V124-T126 PolarHBondContact O-N 3.18Å; T126-P133 HydrophobicContact CG2-CG 4.19Å; T126-P156 VanDerWaalsContact CG2-O 3.32Å; T126-P156 WeakPolarHBondContact CG2-O 3.27Å
127	Q	96.9	Very high	97.5	Very high	132 Å²	132	48.3 Å²	48.3	62%	0.617	24%	0.236	S	C	*	.	H	α-helix	trans	-106.2	-28.2	-177.9	-164.5	168.6	6.1	0	0	113	Q123 V124	Q123-Q127 PolarHBondContact O-N 2.93Å; V124-Q127 PolarHBondContact O-N 3.16Å
128	N	96	Very high	97.5	Very high	60 Å²	60	43.6 Å²	43.6	32%	0.321	22%	0.218	S	C	.	.			trans	-90.5	124.4	177.5	-80.4	41.6	0	0	0	111.3	T14 V124 E130	T14-N128 PolarHBondContact OG1-O 3Å; V124-N128 WeakPolarHBondContact O-CB 3.47Å; V124-N128 PolarHBondContact O-N 2.67Å; N128-E130 WeakPolarHBondContact CB-OE1 3.41Å; N128-E130 WeakPolarHBondContact CB-OE2 3.45Å; N128-E130 PolarHBondContact ND2-OE1 3.33Å
129	A	95.3	Very high	97.5	Very high	47 Å²	47	43.5 Å²	43.5	39%	0.388	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-13.4	-171.7	0	0	0	0	0	114.7	I13 T14 M131	I13-A129 HydrophobicContact CB-CB 4.27Å; I13-A129 HydrophobicContact CD1-CB 4.38Å; T14-A129 WeakPolarHBondContact OG1-CA 3.28Å; A129-M131 VanDerWaalsContact C-N 3.34Å
130	E	95.9	Very high	97.5	Very high	130 Å²	130	43.5 Å²	43.5	61%	0.607	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.1	-177.9	72.6	-75.9	-178	0	0	113.7	N128	N128-E130 WeakPolarHBondContact CB-OE1 3.41Å; N128-E130 WeakPolarHBondContact CB-OE2 3.45Å; N128-E130 PolarHBondContact ND2-OE1 3.33Å
131	M	95.5	Very high	97.5	Very high	84 Å²	84	40 Å²	40	41%	0.414	20%	0.199	S	C	.	.	S	Bend	trans	-127.1	159.3	179.5	-70.6	179.6	-69.1	0	0	110.9	Y125 A129	Y125-M131 HydrophobicContact CD1-CB 4.13Å; Y125-M131 HydrophobicContact CD1-CE 3.96Å; Y125-M131 HydrophobicContact CD1-SD 4.06Å; Y125-M131 HydrophobicContact CE1-CE 4.02Å; Y125-M131 HydrophobicContact CE1-SD 3.84Å; A129-M131 VanDerWaalsContact C-N 3.34Å
132	R	97.4	Very high	97.5	Very high	117 Å²	117	38.9 Å²	38.9	44%	0.442	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-97.3	150.8	170.8	63.7	170.3	-175.5	78.1	-0.5	110.6	D86	D86-R132 IonicContact OD1-CZ 3.46Å; D86-R132 IonicContact OD1-NH1 3.5Å; D86-R132 IonicContact OD1-NH2 3.39Å; D86-R132 PolarHBondContact OD1-NH2 3.23Å; D86-R132 IonicContact OD2-CZ 2.67Å; D86-R132 IonicContact OD2-NH1 3.16Å; D86-R132 PolarHBondContact OD2-NH1 3.31Å; D86-R132 IonicContact OD2-NH2 2.84Å; D86-R132 PolarHBondContact OD2-NH2 3.46Å; D86-R132 VanDerWaalsContact OD2-NH2 3.14Å
133	P	97.8	Very high	97.5	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.026	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-56	149	163.3	-23.1	33.4	0	0	0	111.6	V25 A28 T126 P156	V25-P133 HydrophobicContact CG2-CG 4.23Å; A28-P133 HydrophobicContact CB-CB 4Å; T126-P133 HydrophobicContact CG2-CG 4.19Å; P133-P156 HydrophobicContact CB-CB 4.31Å
134	L	98.1	Very high	97.3	Very high	25 Å²	25	38.6 Å²	38.6	13%	0.131	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-70.5	130.9	173.8	-62.2	-176.5	0	0	0	109.7	D86 Q90 Y125 C136 P156	D86-L134 HydrophobicContact CB-CB 4.19Å; D86-L134 HydrophobicContact CB-CD2 4.21Å; D86-L134 WeakPolarHBondContact OD2-CA 3.37Å; Q90-L134 HydrophobicContact CB-CD1 4.24Å; Q90-L134 HydrophobicContact CG-CD1 4.48Å; Y125-L134 HydrophobicContact CD2-CG 4.24Å; Y125-L134 HydrophobicContact CE2-CD1 4.11Å; Y125-L134 HydrophobicContact CE2-CG 4.05Å; L134-C136 PolarHBondContact O-N 2.93Å; L134-P156 WeakPolarHBondContact O-CB 3.4Å; L134-P156 WeakPolarHBondContact O-CG 3.33Å
135	G	97.6	Very high	96.9	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	22%	0.221	C	C	.	.	S	Bend	trans	-82.1	40.3	-178.4	0	0	0	0	0	113	M83 D86	M83-G135 PolarHBondContact N-O 3Å; D86-G135 PolarHBondContact OD2-N 3.34Å
136	C	97.9	Very high	96.7	Very high	1 Å²	1	51 Å²	51	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.9	-177.6	61.4	0	0	0	0	111.7	M80 S81 D86 S87 Q90 L134 P156	M80-C136 HydrophobicContact CE-CB 4.27Å; S81-C136 CarbonylContact O-C 3.52Å; S81-C136 VanDerWaalsContact O-CA 3.29Å; S81-C136 WeakPolarHBondContact O-CA 3.43Å; D86-C136 HydrophobicContact CB-CB 4.26Å; S87-C136 WeakPolarHBondContact OG-CB 3.35Å; Q90-C136 PolarHBondContact OE1-SG 3.31Å; L134-C136 PolarHBondContact O-N 2.93Å; C136-P156 WeakPolarHBondContact O-CG 3.4Å
137	C	98	Very high	96.6	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.027	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.5	173	176.9	0	0	0	0	108.5	I32 S81 K153 C154 A168	I32-C137 HydrophobicContact CD1-CB 3.82Å; I32-C137 HydrophobicContact CG1-CB 4.37Å; I32-C137 HydrophobicContact CG2-CB 4.4Å; S81-C137 PolarHBondContact N-O 2.83Å; S81-C137 PolarHBondContact O-N 3.22Å; C137-K153 VanDerWaalsContact SG-CG 3.55Å; C137-C154 PolarHBondContact SG-O 2.86Å; C137-A168 HydrophobicContact CB-CB 4.33Å
138	M	98.6	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.1	-179.1	179.1	179.3	-76.1	0	0	108.7	C78 M80 Q90 V91 A94 M118 V140 K153 C154	C78-M138 HydrophobicContact CB-CG 4.13Å; M80-M138 HydrophobicContact CE-CB 3.94Å; M80-M138 HydrophobicContact CE-CE 3.83Å; M80-M138 HydrophobicContact CE-CG 4.44Å; M80-M138 HydrophobicContact SD-CB 3.65Å; M80-M138 HydrophobicContact SD-CE 3.46Å; M80-M138 WeakPolarHBondContact SD-CE 3.29Å; M80-M138 HydrophobicContact SD-CG 3.61Å; M80-M138 HydrophobicContact SD-SD 4.4Å; Q90-M138 HydrophobicContact CB-CE 4.17Å; Q90-M138 HydrophobicContact CG-CE 3.77Å; V91-M138 HydrophobicContact CG2-CE 4.2Å; A94-M138 HydrophobicContact CB-CE 4.1Å; A94-M138 HydrophobicContact CB-SD 4.42Å; M118-M138 HydrophobicContact CG-SD 4.37Å; M138-V140 HydrophobicContact CG-CG2 3.66Å; M138-V140 HydrophobicContact SD-CG2 3.79Å; M138-K153 WeakPolarHBondContact O-CA 3.49Å; M138-C154 PolarHBondContact N-O 2.79Å; M138-C154 PolarHBondContact O-N 2.76Å
139	I	98.8	Very high	96.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.3	166.7	-58.3	165.5	0	0	0	107.4	A41 C78 V79 V151 Y152 K153 T166 A168	A41-I139 HydrophobicContact CB-CG2 3.54Å; C78-I139 CarbonylContact C-O 3.59Å; C78-I139 WeakPolarHBondContact CA-O 3.48Å; C78-I139 VanDerWaalsContact CB-O 3.26Å; C78-I139 WeakPolarHBondContact CB-O 3.38Å; V79-I139 HydrophobicContact CG1-CB 3.71Å; V79-I139 HydrophobicContact CG1-CD1 4.21Å; V79-I139 HydrophobicContact CG1-CG1 4.43Å; V79-I139 HydrophobicContact CG1-CG2 4.36Å; V79-I139 PolarHBondContact N-O 2.88Å; V79-I139 PolarHBondContact O-N 2.81Å; I139-V151 HydrophobicContact CG2-CG1 4.04Å; I139-Y152 CarbonylContact C-O 3.51Å; I139-Y152 WeakPolarHBondContact CA-O 3.48Å; I139-K153 HydrophobicContact CD1-CD 4.3Å; I139-K153 HydrophobicContact CG1-CB 4.12Å; I139-K153 HydrophobicContact CG1-CD 3.87Å; I139-K153 HydrophobicContact CG1-CG 3.78Å; I139-T166 HydrophobicContact CD1-CG2 4.1Å; I139-T166 HydrophobicContact CG1-CG2 4.31Å; I139-T166 HydrophobicContact CG2-CG2 4.19Å; I139-A168 HydrophobicContact CD1-CB 3.82Å; I139-A168 HydrophobicContact CG1-CB 4.46Å
140	V	98.4	Very high	96.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.4	-176.9	-168.4	0	0	0	0	108.8	I76 G77 C78 V111 L114 M138 V151 Y152	I76-V140 HydrophobicContact CG2-CG1 3.29Å; G77-V140 WeakPolarHBondContact O-CA 3.34Å; C78-V140 HydrophobicContact CB-CG2 4.27Å; V111-V140 HydrophobicContact CG1-CB 4.19Å; V111-V140 HydrophobicContact CG1-CG1 3.82Å; L114-V140 HydrophobicContact CD2-CG1 4.3Å; M138-V140 HydrophobicContact CG-CG2 3.66Å; M138-V140 HydrophobicContact SD-CG2 3.79Å; V140-V151 WeakPolarHBondContact O-CA 3.43Å; V140-Y152 PolarHBondContact N-O 3.32Å; V140-Y152 PolarHBondContact O-N 3.14Å
141	I	98.6	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.9	171.9	63.3	163.8	0	0	0	110.6	A41 A48 V50 G77 Q150 V151 I220 F227	A41-I141 HydrophobicContact CB-CG2 4.45Å; A48-I141 HydrophobicContact CB-CB 4Å; A48-I141 HydrophobicContact CB-CD1 4.42Å; A48-I141 HydrophobicContact CB-CG2 4.18Å; V50-I141 HydrophobicContact CB-CD1 4.45Å; V50-I141 HydrophobicContact CG1-CB 4.45Å; V50-I141 HydrophobicContact CG1-CD1 3.95Å; V50-I141 HydrophobicContact CG1-CG1 4.07Å; V50-I141 HydrophobicContact CG1-CG2 3.55Å; V50-I141 HydrophobicContact CG2-CD1 3.94Å; G77-I141 PolarHBondContact N-O 3.37Å; G77-I141 PolarHBondContact O-N 2.78Å; G77-I141 VanDerWaalsContact O-O 3.11Å; I141-Q150 WeakPolarHBondContact CA-O 3.1Å; I141-V151 HydrophobicContact CG2-CB 4.38Å; I141-V151 HydrophobicContact CG2-CG1 4.33Å; I141-V151 HydrophobicContact CG2-CG2 3.85Å; I141-I220 HydrophobicContact CD1-CG2 4.12Å; I141-I220 HydrophobicContact CG1-CG2 4.46Å; I141-F227 HydrophobicContact CD1-CD2 4.2Å; I141-F227 HydrophobicContact CD1-CE2 4Å; I141-F227 HydrophobicContact CG1-CD2 4.4Å; I141-F227 HydrophobicContact CG1-CE2 4.33Å
142	G	98.1	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	178.7	175.5	0	0	0	0	0	110.6	N75 Q150	N75-G142 WeakPolarHBondContact O-CA 3.41Å; G142-Q150 PolarHBondContact N-O 3.24Å; G142-Q150 PolarHBondContact O-N 3.01Å
143	V	97.1	Very high	97	Very high	31 Å²	31	32.8 Å²	32.8	19%	0.188	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.6	171.9	176.2	0	0	0	0	107.6	I220 T222 P225	V143-I220 HydrophobicContact CB-CD1 4.48Å; V143-I220 HydrophobicContact CG2-CD1 4.06Å; V143-I220 HydrophobicContact CG2-CG1 3.92Å; V143-I220 HydrophobicContact CG2-CG2 4.05Å; V143-T222 HydrophobicContact CG1-CG2 4.1Å; V143-P225 HydrophobicContact CB-CB 4.34Å
144	D	94.2	Very high	97	Very high	38 Å²	38	32.7 Å²	32.7	20%	0.203	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	140.2	170.4	-175.1	-96.2	0	0	0	109.4	E146 C147 G148 Q150	D144-E146 VanDerWaalsContact C-N 3.3Å; D144-E146 PolarHBondContact O-N 3.05Å; D144-E146 PolarHBondContact OD1-N 3.22Å; D144-C147 HydrophobicContact CB-CB 4.11Å; D144-C147 WeakPolarHBondContact OD1-CB 3.39Å; D144-C147 PolarHBondContact OD1-N 3.37Å; D144-G148 PolarHBondContact N-O 3.25Å; D144-G148 VanDerWaalsContact O-CA 3.25Å; D144-G148 WeakPolarHBondContact O-CA 3.35Å; D144-G148 PolarHBondContact O-N 2.87Å; D144-Q150 HydrophobicContact CB-CG 3.96Å
145	E	91.3	Very high	97	Very high	200 Å²	200	32.7 Å²	32.7	94%	0.935	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-32.3	-175.9	-65.5	-179.9	-177	0	0	112.5
146	E	92.4	Very high	96.9	Very high	183 Å²	183	32.7 Å²	32.7	86%	0.855	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-37.7	-177.6	-62.1	-177.1	-171	0	0	112	D144	D144-E146 VanDerWaalsContact C-N 3.3Å; D144-E146 PolarHBondContact O-N 3.05Å; D144-E146 PolarHBondContact OD1-N 3.22Å
147	C	93.9	Very high	96.9	Very high	86 Å²	86	34.3 Å²	34.3	58%	0.581	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-5.1	-170.4	-58.5	0	0	0	0	113.4	D144 Q150	D144-C147 HydrophobicContact CB-CB 4.11Å; D144-C147 WeakPolarHBondContact OD1-CB 3.39Å; D144-C147 PolarHBondContact OD1-N 3.37Å; C147-Q150 VanDerWaalsContact C-NE2 3.3Å; C147-Q150 PolarHBondContact O-NE2 3.46Å
148	G	95.7	Very high	96.8	Very high	20 Å²	20	35 Å²	35	21%	0.206	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.5	-155.4	-176.4	0	0	0	0	0	112.8	D144 Q150	D144-G148 PolarHBondContact N-O 3.25Å; D144-G148 VanDerWaalsContact O-CA 3.25Å; D144-G148 WeakPolarHBondContact O-CA 3.35Å; D144-G148 PolarHBondContact O-N 2.87Å; G148-Q150 PolarHBondContact O-N 2.94Å; G148-Q150 PolarHBondContact O-NE2 3.07Å
149	P	97.4	Very high	96.8	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	137.6	-178.9	-23.4	33.2	0	0	0	112.4	R43 C47 A48 T222	R43-P149 WeakPolarHBondContact CD-O 3.22Å; R43-P149 HydrophobicContact CG-CB 4.06Å; C47-P149 WeakPolarHBondContact O-CB 3.46Å; A48-P149 HydrophobicContact CB-CB 4.13Å; P149-T222 HydrophobicContact CG-CG2 3.91Å
150	Q	98	Very high	96.8	Very high	19 Å²	19	44.8 Å²	44.8	9%	0.089	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.6	179.2	-60.3	-49.8	-37.7	0	0	111.5	V111 I141 G142 D144 C147 G148 Y152	V111-Q150 HydrophobicContact CB-CB 4.22Å; V111-Q150 HydrophobicContact CG1-CB 4.31Å; V111-Q150 HydrophobicContact CG2-CB 4.39Å; I141-Q150 WeakPolarHBondContact CA-O 3.1Å; G142-Q150 PolarHBondContact N-O 3.24Å; G142-Q150 PolarHBondContact O-N 3.01Å; D144-Q150 HydrophobicContact CB-CG 3.96Å; C147-Q150 VanDerWaalsContact C-NE2 3.3Å; C147-Q150 PolarHBondContact O-NE2 3.46Å; G148-Q150 PolarHBondContact O-N 2.94Å; G148-Q150 PolarHBondContact O-NE2 3.07Å; Q150-Y152 HydrophobicContact CB-CD2 4.09Å; Q150-Y152 HydrophobicContact CB-CE2 3.98Å; Q150-Y152 HydrophobicContact CG-CE2 4.34Å
151	V	98.4	Very high	96.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119	170.8	177.4	0	0	0	0	107.4	A41 R43 A48 I139 V140 I141 G162 F163 T166	A41-V151 HydrophobicContact CB-CG1 3.58Å; R43-V151 HydrophobicContact CB-CG2 3.85Å; A48-V151 HydrophobicContact CB-CG2 4.01Å; I139-V151 HydrophobicContact CG2-CG1 4.04Å; V140-V151 WeakPolarHBondContact O-CA 3.43Å; I141-V151 HydrophobicContact CG2-CB 4.38Å; I141-V151 HydrophobicContact CG2-CG1 4.33Å; I141-V151 HydrophobicContact CG2-CG2 3.85Å; V151-G162 CarbonylContact O-C 3.6Å; V151-G162 WeakPolarHBondContact O-CA 3.45Å; V151-F163 HydrophobicContact CG1-CB 4.45Å; V151-F163 PolarHBondContact O-N 2.82Å; V151-T166 HydrophobicContact CG1-CG2 4.12Å
152	Y	98.7	Very high	96.7	Very high	43 Å²	43	48.5 Å²	48.5	17%	0.169	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.8	176.5	-82.2	-98.2	0	0	0	110.4	V111 D112 C115 I139 V140 Q150 Y160 C161	V111-Y152 HydrophobicContact CB-CD2 4.43Å; V111-Y152 HydrophobicContact CG1-CD2 3.84Å; V111-Y152 HydrophobicContact CG1-CG 4.45Å; D112-Y152 HydrophobicContact CB-CD1 4.47Å; D112-Y152 HydrophobicContact CB-CE1 3.74Å; D112-Y152 HydrophobicContact CB-CE2 3.84Å; D112-Y152 WeakPolarHBondContact CB-OH 3.48Å; C115-Y152 HydrophobicContact CB-CD1 4.3Å; C115-Y152 HydrophobicContact CB-CG 4.26Å; I139-Y152 CarbonylContact C-O 3.51Å; I139-Y152 WeakPolarHBondContact CA-O 3.48Å; V140-Y152 PolarHBondContact N-O 3.32Å; V140-Y152 PolarHBondContact O-N 3.14Å; Q150-Y152 HydrophobicContact CB-CD2 4.09Å; Q150-Y152 HydrophobicContact CB-CE2 3.98Å; Q150-Y152 HydrophobicContact CG-CE2 4.34Å; Y152-Y160 AromaticContact CD1-CD2 3.96Å; Y152-Y160 HydrophobicContact CD1-CD2 3.96Å; Y152-Y160 HydrophobicContact CD1-CE2 4.3Å; Y152-Y160 HydrophobicContact CE1-CD2 4.31Å; Y152-Y160 HydrophobicContact CE1-CE2 4.22Å; Y152-C161 WeakPolarHBondContact CA-O 3.49Å; Y152-C161 WeakPolarHBondContact CD1-O 3.35Å
153	K	98.5	Very high	96.7	Very high	24 Å²	24	51.2 Å²	51.2	10%	0.104	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.8	174.5	-177.2	174.1	77.1	-177	0	109.4	C137 M138 I139 Y160 C161 F163 T166 A167 A168	C137-K153 VanDerWaalsContact SG-CG 3.55Å; M138-K153 WeakPolarHBondContact O-CA 3.49Å; I139-K153 HydrophobicContact CD1-CD 4.3Å; I139-K153 HydrophobicContact CG1-CB 4.12Å; I139-K153 HydrophobicContact CG1-CD 3.87Å; I139-K153 HydrophobicContact CG1-CG 3.78Å; K153-Y160 WeakPolarHBondContact O-CA 3.34Å; K153-C161 PolarHBondContact N-O 2.72Å; K153-C161 PolarHBondContact O-N 2.96Å; K153-C161 VanDerWaalsContact O-N 3.12Å; K153-F163 HydrophobicContact CB-CD2 4.02Å; K153-F163 HydrophobicContact CB-CE2 3.77Å; K153-T166 HydrophobicContact CB-CG2 4.25Å; K153-T166 HydrophobicContact CD-CG2 4.19Å; K153-T166 WeakPolarHBondContact CE-OG1 3.4Å; K153-T166 PolarHBondContact NZ-OG1 3.07Å; K153-A167 PolarHBondContact NZ-O 2.93Å; K153-A168 HydrophobicContact CD-CB 4.48Å
154	C	97.4	Very high	96.7	Very high	1 Å²	1	55 Å²	55	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.8	167.4	64	0	0	0	0	111.7	A119 C137 M138 Y159	A119-C154 HydrophobicContact CB-CB 4.16Å; C137-C154 PolarHBondContact SG-O 2.86Å; M138-C154 PolarHBondContact N-O 2.79Å; M138-C154 PolarHBondContact O-N 2.76Å; C154-Y159 VanDerWaalsContact CA-O 3.24Å; C154-Y159 WeakPolarHBondContact CA-O 3.29Å
155	D	96.9	Very high	96.8	Very high	25 Å²	25	54.2 Å²	54.2	13%	0.134	29%	0.285	C	S	.	.			trans	-120.4	170.5	-174.3	69.4	31.3	0	0	0	112.7	F29 A157 G158 Y159	F29-D155 HydrophobicContact CE1-CB 3.75Å; F29-D155 HydrophobicContact CZ-CB 3.82Å; D155-A157 PolarHBondContact O-N 2.85Å; D155-A157 VanDerWaalsContact O-N 3.13Å; D155-A157 WeakPolarHBondContact OD1-CA 3.34Å; D155-A157 VanDerWaalsContact OD1-CB 3.28Å; D155-A157 WeakPolarHBondContact OD1-CB 3.31Å; D155-A157 PolarHBondContact OD1-N 3.24Å; D155-G158 PolarHBondContact O-N 3.22Å; D155-G158 PolarHBondContact OD1-N 3.13Å; D155-Y159 PolarHBondContact N-O 2.89Å; D155-Y159 PolarHBondContact OD1-N 3.1Å; D155-Y159 VanDerWaalsContact OD1-N 3.15Å
156	P	97.3	Very high	97.1	Very high	2 Å²	2	45 Å²	45	1%	0.013	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.5	179.9	-26.7	36	0	0	0	115.1	A28 I32 T126 P133 L134 C136 G158	A28-P156 HydrophobicContact CB-CB 3.77Å; A28-P156 HydrophobicContact CB-CG 4.23Å; I32-P156 HydrophobicContact CD1-CG 3.9Å; I32-P156 HydrophobicContact CG1-CG 4.38Å; T126-P156 VanDerWaalsContact CG2-O 3.32Å; T126-P156 WeakPolarHBondContact CG2-O 3.27Å; P133-P156 HydrophobicContact CB-CB 4.31Å; L134-P156 WeakPolarHBondContact O-CB 3.4Å; L134-P156 WeakPolarHBondContact O-CG 3.33Å; C136-P156 WeakPolarHBondContact O-CG 3.4Å; P156-G158 PolarHBondContact O-N 2.89Å
157	A	97.3	Very high	97.4	Very high	35 Å²	35	36.2 Å²	36.2	29%	0.289	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.5	177.8	0	0	0	0	0	112.3	V25 F29 D155 Y159	V25-A157 HydrophobicContact CG1-CB 3.63Å; F29-A157 HydrophobicContact CE2-CB 4.06Å; F29-A157 HydrophobicContact CZ-CB 4.27Å; D155-A157 PolarHBondContact O-N 2.85Å; D155-A157 VanDerWaalsContact O-N 3.13Å; D155-A157 WeakPolarHBondContact OD1-CA 3.34Å; D155-A157 VanDerWaalsContact OD1-CB 3.28Å; D155-A157 WeakPolarHBondContact OD1-CB 3.31Å; D155-A157 PolarHBondContact OD1-N 3.24Å; A157-Y159 VanDerWaalsContact C-N 3.32Å
158	G	96.8	Very high	97.6	Very high	18 Å²	18	32.1 Å²	32.1	19%	0.186	17%	0.173	C	C	.	.	S	Bend	trans	78.8	19.2	-171.5	0	0	0	0	0	112.6	A119 D155 P156	A119-G158 WeakPolarHBondContact CB-O 3.4Å; A119-G158 VanDerWaalsContact O-CA 3.24Å; A119-G158 WeakPolarHBondContact O-CA 3.44Å; D155-G158 PolarHBondContact O-N 3.22Å; D155-G158 PolarHBondContact OD1-N 3.13Å; P156-G158 PolarHBondContact O-N 2.89Å
159	Y	97.5	Very high	97.6	Very high	139 Å²	139	31.3 Å²	31.3	55%	0.545	17%	0.165	S	C	.	.			trans	-88.9	142.1	169	-179.6	-105.2	0	0	0	109.8	C154 D155 A157 C161	C154-Y159 VanDerWaalsContact CA-O 3.24Å; C154-Y159 WeakPolarHBondContact CA-O 3.29Å; D155-Y159 PolarHBondContact N-O 2.89Å; D155-Y159 PolarHBondContact OD1-N 3.1Å; D155-Y159 VanDerWaalsContact OD1-N 3.15Å; A157-Y159 VanDerWaalsContact C-N 3.32Å; Y159-C161 HydrophobicContact CE1-CB 3.89Å
160	Y	97.9	Very high	97.6	Very high	68 Å²	68	34.1 Å²	34.1	27%	0.267	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.4	171.3	81	-71.1	0	0	0	111.1	C115 K116 A119 Y152 K153	C115-Y160 HydrophobicContact CB-CD2 4.04Å; K116-Y160 HydrophobicContact CB-CD1 4.41Å; K116-Y160 HydrophobicContact CB-CD2 4.43Å; K116-Y160 HydrophobicContact CB-CE1 3.77Å; K116-Y160 HydrophobicContact CB-CE2 3.78Å; K116-Y160 VanDerWaalsContact CB-CZ 3.43Å; K116-Y160 HydrophobicContact CD-CE1 4.48Å; K116-Y160 WeakPolarHBondContact CD-OH 3.34Å; K116-Y160 HydrophobicContact CG-CE1 3.69Å; K116-Y160 WeakPolarHBondContact CG-OH 3.44Å; A119-Y160 HydrophobicContact CB-CD1 3.79Å; A119-Y160 HydrophobicContact CB-CG 4.11Å; Y152-Y160 AromaticContact CD1-CD2 3.96Å; Y152-Y160 HydrophobicContact CD1-CD2 3.96Å; Y152-Y160 HydrophobicContact CD1-CE2 4.3Å; Y152-Y160 HydrophobicContact CE1-CD2 4.31Å; Y152-Y160 HydrophobicContact CE1-CE2 4.22Å; K153-Y160 WeakPolarHBondContact O-CA 3.34Å
161	C	97.9	Very high	97.6	Very high	44 Å²	44	36.4 Å²	36.4	30%	0.297	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.3	175.9	-165.7	0	0	0	0	111.1	Y152 K153 Y159 F163	Y152-C161 WeakPolarHBondContact CA-O 3.49Å; Y152-C161 WeakPolarHBondContact CD1-O 3.35Å; K153-C161 PolarHBondContact N-O 2.72Å; K153-C161 PolarHBondContact O-N 2.96Å; K153-C161 VanDerWaalsContact O-N 3.12Å; Y159-C161 HydrophobicContact CE1-CB 3.89Å; C161-F163 HydrophobicContact CB-CE2 3.77Å; C161-F163 HydrophobicContact CB-CZ 3.98Å; C161-F163 WeakPolarHBondContact O-CD2 3.15Å; C161-F163 WeakPolarHBondContact O-CE2 3.31Å
162	G	97.9	Very high	97.5	Very high	33 Å²	33	39.7 Å²	39.7	34%	0.34	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.6	172	0	0	0	0	0	111.2	V151	V151-G162 CarbonylContact O-C 3.6Å; V151-G162 WeakPolarHBondContact O-CA 3.45Å
163	F	97.9	Very high	97.5	Very high	58 Å²	58	42.6 Å²	42.6	25%	0.254	23%	0.229	S	C	.	.			trans	-131.8	148.4	-174.4	-68.2	-90.4	0	0	0	112.2	V151 K153 C161 T166	V151-F163 HydrophobicContact CG1-CB 4.45Å; V151-F163 PolarHBondContact O-N 2.82Å; K153-F163 HydrophobicContact CB-CD2 4.02Å; K153-F163 HydrophobicContact CB-CE2 3.77Å; C161-F163 HydrophobicContact CB-CE2 3.77Å; C161-F163 HydrophobicContact CB-CZ 3.98Å; C161-F163 WeakPolarHBondContact O-CD2 3.15Å; C161-F163 WeakPolarHBondContact O-CE2 3.31Å; F163-T166 HydrophobicContact CB-CG2 4.24Å; F163-T166 HydrophobicContact CD2-CG2 4.28Å; F163-T166 HydrophobicContact CG-CG2 4.21Å
164	K	96.6	Very high	97.4	Very high	111 Å²	111	45.2 Å²	45.2	48%	0.483	24%	0.242	S	C	.	.	S	Bend	trans	-76.1	-41.4	164.2	-73.3	159.4	157.9	-163.9	0	110.8	R43 L187	R43-K164 WeakPolarHBondContact CB-O 3.31Å; R43-K164 PolarHBondContact N-O 3.49Å; K164-L187 HydrophobicContact CB-CD1 4.3Å; K164-L187 HydrophobicContact CD-CD1 3.46Å; K164-L187 VanDerWaalsContact CD-CD1 3.46Å; K164-L187 HydrophobicContact CG-CD1 3.92Å
165	A	97.3	Very high	97.5	Very high	20 Å²	20	45.2 Å²	45.2	17%	0.165	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	146.7	169.9	0	0	0	0	0	108.3	A41 I42 L179 V183	A41-A165 CarbonylContact O-C 3.59Å; A41-A165 WeakPolarHBondContact O-CA 3.26Å; I42-A165 HydrophobicContact CB-CB 4.49Å; I42-A165 HydrophobicContact CG1-CB 4.13Å; I42-A165 HydrophobicContact CG2-CB 4.34Å; A165-L179 HydrophobicContact CB-CB 4.24Å; A165-L179 HydrophobicContact CB-CD1 4.03Å; A165-L179 HydrophobicContact CB-CD2 4.17Å; A165-L179 HydrophobicContact CB-CG 4.37Å; A165-V183 HydrophobicContact CB-CG2 4.25Å
166	T	98.2	Very high	97.5	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.9	179.7	-159.2	0	0	0	0	110.7	L40 A41 I139 V151 K153 F163	L40-T166 CarbonylContact C-O 3.51Å; L40-T166 WeakPolarHBondContact CA-O 3.5Å; A41-T166 HydrophobicContact CB-CG2 4.33Å; A41-T166 PolarHBondContact N-O 2.79Å; A41-T166 PolarHBondContact O-N 3.19Å; I139-T166 HydrophobicContact CD1-CG2 4.1Å; I139-T166 HydrophobicContact CG1-CG2 4.31Å; I139-T166 HydrophobicContact CG2-CG2 4.19Å; V151-T166 HydrophobicContact CG1-CG2 4.12Å; K153-T166 HydrophobicContact CB-CG2 4.25Å; K153-T166 HydrophobicContact CD-CG2 4.19Å; K153-T166 WeakPolarHBondContact CE-OG1 3.4Å; K153-T166 PolarHBondContact NZ-OG1 3.07Å; F163-T166 HydrophobicContact CB-CG2 4.24Å; F163-T166 HydrophobicContact CD2-CG2 4.28Å; F163-T166 HydrophobicContact CG-CG2 4.21Å
167	A	98.1	Very high	97.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	160.6	173.7	0	0	0	0	0	110.7	S39 L40 K153 Q172 A175	S39-A167 CarbonylContact O-C 3.56Å; S39-A167 VanDerWaalsContact O-CA 3.27Å; S39-A167 WeakPolarHBondContact O-CA 3.39Å; L40-A167 HydrophobicContact CB-CB 4.25Å; K153-A167 PolarHBondContact NZ-O 2.93Å; A167-Q172 HydrophobicContact CB-CG 4.37Å; A167-Q172 VanDerWaalsContact O-CD 3.27Å; A167-Q172 WeakPolarHBondContact O-CG 3.36Å; A167-Q172 PolarHBondContact O-OE1 3.39Å; A167-A175 HydrophobicContact CB-CB 3.66Å
168	A	97.9	Very high	97.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.9	173.8	0	0	0	0	0	110.7	S39 C137 I139 K153	S39-A168 PolarHBondContact N-O 3.11Å; S39-A168 PolarHBondContact O-N 2.9Å; C137-A168 HydrophobicContact CB-CB 4.33Å; I139-A168 HydrophobicContact CD1-CB 3.82Å; I139-A168 HydrophobicContact CG1-CB 4.46Å; K153-A168 HydrophobicContact CD-CB 4.48Å
169	G	96.4	Very high	97.5	Very high	3 Å²	3	48.5 Å²	48.5	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.5	-162.3	179.6	0	0	0	0	0	113.3	N33 L37 K171 Q172	N33-G169 PolarHBondContact OD1-O 3.44Å; L37-G169 WeakPolarHBondContact O-CA 3.39Å; G169-K171 VanDerWaalsContact C-N 3.28Å; G169-K171 PolarHBondContact O-N 2.79Å; G169-K171 VanDerWaalsContact O-N 3.16Å; G169-Q172 WeakPolarHBondContact O-CB 3.45Å; G169-Q172 PolarHBondContact O-N 3.39Å; G169-Q172 VanDerWaalsContact O-N 3.13Å
170	V	96.9	Very high	97.4	Very high	66 Å²	66	46.9 Å²	46.9	40%	0.4	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-40.6	-164.5	-179	0	0	0	0	112.9	N33 L37	N33-V170 HydrophobicContact CB-CG2 4.22Å; N33-V170 VanDerWaalsContact O-CG2 3.3Å; N33-V170 WeakPolarHBondContact O-CG2 3.28Å; N33-V170 PolarHBondContact OD1-N 3.39Å; L37-V170 PolarHBondContact O-N 3.1Å; L37-V170 VanDerWaalsContact O-N 3.13Å
171	K	97.8	Very high	97.3	Very high	67 Å²	67	50.2 Å²	50.2	29%	0.291	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	28.3	-175.8	-64.5	-69.2	-172.3	168.9	0	113.8	T38 G169 T173 E174 A175 V205 L206	T38-K171 HydrophobicContact CG2-CB 4.02Å; T38-K171 WeakPolarHBondContact OG1-CB 3.2Å; T38-K171 PolarHBondContact OG1-N 3.17Å; T38-K171 VanDerWaalsContact OG1-N 3.13Å; G169-K171 VanDerWaalsContact C-N 3.28Å; G169-K171 PolarHBondContact O-N 2.79Å; G169-K171 VanDerWaalsContact O-N 3.16Å; K171-T173 VanDerWaalsContact C-N 3.29Å; K171-T173 PolarHBondContact O-N 3.14Å; K171-E174 WeakPolarHBondContact CD-OE1 3.49Å; K171-E174 IonicContact NZ-OE1 2.71Å; K171-E174 PolarHBondContact NZ-OE1 3.07Å; K171-E174 PolarHBondContact O-N 3.48Å; K171-A175 VanDerWaalsContact O-CB 3.31Å; K171-A175 WeakPolarHBondContact O-CB 3.3Å; K171-A175 PolarHBondContact O-N 2.93Å; K171-V205 HydrophobicContact CB-CG1 3.35Å; K171-V205 HydrophobicContact CD-CG1 4.2Å; K171-V205 HydrophobicContact CG-CG1 3.89Å; K171-L206 HydrophobicContact CG-CD2 3.91Å
172	Q	97.2	Very high	97.1	Very high	70 Å²	70	52.2 Å²	52.2	33%	0.327	27%	0.27	S	S	.	.	H	α-helix	trans	-56.4	-41.5	-179.4	172.8	177	-32.1	0	0	112.7	A167 G169 T176	A167-Q172 HydrophobicContact CB-CG 4.37Å; A167-Q172 VanDerWaalsContact O-CD 3.27Å; A167-Q172 WeakPolarHBondContact O-CG 3.36Å; A167-Q172 PolarHBondContact O-OE1 3.39Å; G169-Q172 WeakPolarHBondContact O-CB 3.45Å; G169-Q172 PolarHBondContact O-N 3.39Å; G169-Q172 VanDerWaalsContact O-N 3.13Å; Q172-T176 WeakPolarHBondContact O-CB 3.48Å; Q172-T176 PolarHBondContact O-N 3.34Å; Q172-T176 PolarHBondContact O-OG1 2.85Å
173	T	97.3	Very high	96.8	Very high	105 Å²	105	52 Å²	52	64%	0.644	26%	0.261	S	S	*	.	H	α-helix	trans	-66.8	-47.2	-175.1	-53.7	0	0	0	0	111.7	K171 T176 T177	K171-T173 VanDerWaalsContact C-N 3.29Å; K171-T173 PolarHBondContact O-N 3.14Å; T173-T176 PolarHBondContact O-N 3Å; T173-T177 PolarHBondContact O-N 3.27Å; T173-T177 PolarHBondContact O-OG1 3.49Å
174	E	98.2	Very high	96.5	Very high	78 Å²	78	57.7 Å²	57.7	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-43.4	178.2	-61	96.4	137	0	0	111.2	K171 T176 T177 F178 V205	K171-E174 WeakPolarHBondContact CD-OE1 3.49Å; K171-E174 IonicContact NZ-OE1 2.71Å; K171-E174 PolarHBondContact NZ-OE1 3.07Å; K171-E174 PolarHBondContact O-N 3.48Å; E174-T176 PolarHBondContact O-N 3.14Å; E174-T177 PolarHBondContact O-N 3.41Å; E174-F178 PolarHBondContact O-N 2.99Å; E174-V205 HydrophobicContact CB-CG1 3.78Å; E174-V205 HydrophobicContact CB-CG2 4.21Å
175	A	97.8	Very high	96.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-43.4	175.3	0	0	0	0	0	112.1	A167 K171 T177 F178 L179 V205	A167-A175 HydrophobicContact CB-CB 3.66Å; K171-A175 VanDerWaalsContact O-CB 3.31Å; K171-A175 WeakPolarHBondContact O-CB 3.3Å; K171-A175 PolarHBondContact O-N 2.93Å; A175-T177 VanDerWaalsContact C-N 3.33Å; A175-T177 PolarHBondContact O-N 3.13Å; A175-F178 PolarHBondContact O-N 3.12Å; A175-L179 WeakPolarHBondContact O-CB 3.41Å; A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.2Å; A175-V205 HydrophobicContact CB-CG2 4.32Å
176	T	97.6	Very high	95.4	Very high	44 Å²	44	64.8 Å²	64.8	27%	0.27	31%	0.313	S	S	.	.	H	α-helix	trans	-60.8	-44.5	176.7	-56.1	0	0	0	0	110.8	Q172 T173 E174 F178 L179 E180	Q172-T176 WeakPolarHBondContact O-CB 3.48Å; Q172-T176 PolarHBondContact O-N 3.34Å; Q172-T176 PolarHBondContact O-OG1 2.85Å; T173-T176 PolarHBondContact O-N 3Å; E174-T176 PolarHBondContact O-N 3.14Å; T176-F178 VanDerWaalsContact C-N 3.34Å; T176-F178 PolarHBondContact O-N 3.05Å; T176-L179 PolarHBondContact O-N 2.99Å; T176-E180 HydrophobicContact CG2-CG 4.4Å; T176-E180 WeakPolarHBondContact O-CB 3.49Å; T176-E180 WeakPolarHBondContact O-CG 3.22Å; T176-E180 PolarHBondContact O-N 2.8Å
177	T	97.9	Very high	94.3	Very high	64 Å²	64	66.2 Å²	66.2	39%	0.393	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-39.5	178.1	-60	0	0	0	0	112.3	T173 E174 A175 K181	T173-T177 PolarHBondContact O-N 3.27Å; T173-T177 PolarHBondContact O-OG1 3.49Å; E174-T177 PolarHBondContact O-N 3.41Å; A175-T177 VanDerWaalsContact C-N 3.33Å; A175-T177 PolarHBondContact O-N 3.13Å; T177-K181 WeakPolarHBondContact O-CG 3.39Å; T177-K181 PolarHBondContact O-N 3.31Å
178	F	97.6	Very high	93.6	Very high	37 Å²	37	71.1 Å²	71.1	16%	0.162	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-49.5	174.9	-179.4	-82.6	0	0	0	111.2	E174 A175 T176 E180 K181 K182 T200 C201 T204 V205	E174-F178 PolarHBondContact O-N 2.99Å; A175-F178 PolarHBondContact O-N 3.12Å; T176-F178 VanDerWaalsContact C-N 3.34Å; T176-F178 PolarHBondContact O-N 3.05Å; F178-E180 PolarHBondContact O-N 3.06Å; F178-K181 PolarHBondContact O-N 2.84Å; F178-K182 HydrophobicContact CD1-CG 4.09Å; F178-K182 HydrophobicContact CE1-CD 4.37Å; F178-K182 HydrophobicContact CE1-CG 3.68Å; F178-K182 HydrophobicContact CZ-CD 4.47Å; F178-K182 HydrophobicContact CZ-CG 4.18Å; F178-K182 PolarHBondContact O-N 3.14Å; F178-T200 HydrophobicContact CZ-CG2 4.05Å; F178-C201 HydrophobicContact CD1-CB 3.54Å; F178-C201 WeakPolarHBondContact CD1-SG 3.3Å; F178-C201 HydrophobicContact CE1-CB 3.55Å; F178-C201 HydrophobicContact CG-CB 4.41Å; F178-C201 HydrophobicContact CZ-CB 4.42Å; F178-T204 HydrophobicContact CD2-CG2 4.07Å; F178-T204 HydrophobicContact CE2-CG2 3.96Å; F178-V205 HydrophobicContact CB-CG2 4.49Å
179	L	96.5	Very high	93.3	Very high	4 Å²	4	71.8 Å²	71.8	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-62.6	-43.7	-178.1	-69.8	167.4	0	0	0	111.3	I42 A165 A175 T176 K181 K182 V183 C201	I42-L179 HydrophobicContact CD1-CD2 3.55Å; I42-L179 HydrophobicContact CG1-CD2 4.06Å; A165-L179 HydrophobicContact CB-CB 4.24Å; A165-L179 HydrophobicContact CB-CD1 4.03Å; A165-L179 HydrophobicContact CB-CD2 4.17Å; A165-L179 HydrophobicContact CB-CG 4.37Å; A175-L179 WeakPolarHBondContact O-CB 3.41Å; A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.2Å; T176-L179 PolarHBondContact O-N 2.99Å; L179-K181 VanDerWaalsContact C-N 3.27Å; L179-K181 PolarHBondContact O-N 2.9Å; L179-K182 PolarHBondContact O-N 3.09Å; L179-K182 VanDerWaalsContact O-N 3.09Å; L179-V183 WeakPolarHBondContact O-CB 3.4Å; L179-V183 WeakPolarHBondContact O-CG2 3.4Å; L179-V183 PolarHBondContact O-N 3.27Å; L179-C201 HydrophobicContact CD2-CB 4.27Å
180	E	95.6	Very high	93.2	Very high	105 Å²	105	74.9 Å²	74.9	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-55.8	-41.4	176.4	-77.7	178.8	-176.6	0	0	112.7	T176 F178 K184	T176-E180 HydrophobicContact CG2-CG 4.4Å; T176-E180 WeakPolarHBondContact O-CB 3.49Å; T176-E180 WeakPolarHBondContact O-CG 3.22Å; T176-E180 PolarHBondContact O-N 2.8Å; F178-E180 PolarHBondContact O-N 3.06Å; E180-K184 WeakPolarHBondContact O-CB 3.16Å; E180-K184 VanDerWaalsContact O-CG 3.23Å; E180-K184 WeakPolarHBondContact O-CG 3.44Å; E180-K184 PolarHBondContact O-N 3.35Å
181	K	95.6	Very high	93.1	Very high	139 Å²	139	75.1 Å²	75.1	60%	0.604	36%	0.363	S	S	*	.	H	α-helix	trans	-67.1	-37.9	177.7	-70	174.9	-176.7	177.4	0	112.2	T177 F178 L179	T177-K181 WeakPolarHBondContact O-CG 3.39Å; T177-K181 PolarHBondContact O-N 3.31Å; F178-K181 PolarHBondContact O-N 2.84Å; L179-K181 VanDerWaalsContact C-N 3.27Å; L179-K181 PolarHBondContact O-N 2.9Å
182	K	93.8	Very high	93	Very high	86 Å²	86	73.6 Å²	73.6	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-73.3	-48.2	178.9	-70.6	-77.5	-173.8	165.1	0	111.2	F178 L179 K184 K185 K186 W189 T197	F178-K182 HydrophobicContact CD1-CG 4.09Å; F178-K182 HydrophobicContact CE1-CD 4.37Å; F178-K182 HydrophobicContact CE1-CG 3.68Å; F178-K182 HydrophobicContact CZ-CD 4.47Å; F178-K182 HydrophobicContact CZ-CG 4.18Å; F178-K182 PolarHBondContact O-N 3.14Å; L179-K182 PolarHBondContact O-N 3.09Å; L179-K182 VanDerWaalsContact O-N 3.09Å; K182-K184 VanDerWaalsContact C-N 3.31Å; K182-K184 PolarHBondContact O-N 2.7Å; K182-K185 WeakPolarHBondContact O-CB 3.24Å; K182-K185 PolarHBondContact O-N 2.8Å; K182-K186 PolarHBondContact O-N 3.01Å; K182-W189 HydrophobicContact CB-CH2 4.13Å; K182-W189 HydrophobicContact CB-CZ2 4.01Å; K182-T197 HydrophobicContact CB-CG2 4.47Å
183	V	91.4	Very high	92.9	Very high	28 Å²	28	73.1 Å²	73.1	17%	0.17	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-36.7	180	174.8	0	0	0	0	111.7	A165 L179 K185 K186 L187 W189	A165-V183 HydrophobicContact CB-CG2 4.25Å; L179-V183 WeakPolarHBondContact O-CB 3.4Å; L179-V183 WeakPolarHBondContact O-CG2 3.4Å; L179-V183 PolarHBondContact O-N 3.27Å; V183-K185 PolarHBondContact O-N 2.98Å; V183-K186 WeakPolarHBondContact CA-O 3.15Å; V183-K186 CarbonylContact O-C 3.58Å; V183-L187 HydrophobicContact CG1-CD1 3.53Å; V183-L187 HydrophobicContact CG1-CG 4.18Å; V183-W189 HydrophobicContact CB-CH2 4.43Å; V183-W189 HydrophobicContact CG2-CH2 3.59Å; V183-W189 HydrophobicContact CG2-CZ3 4.06Å
184	K	90.4	Very high	92.8	Very high	177 Å²	177	68.1 Å²	68.1	77%	0.77	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.5	174.7	-83	175	179.7	175	0	113.6	E180 K182	E180-K184 WeakPolarHBondContact O-CB 3.16Å; E180-K184 VanDerWaalsContact O-CG 3.23Å; E180-K184 WeakPolarHBondContact O-CG 3.44Å; E180-K184 PolarHBondContact O-N 3.35Å; K182-K184 VanDerWaalsContact C-N 3.31Å; K182-K184 PolarHBondContact O-N 2.7Å
185	K	88.8	Confident	92.8	Very high	184 Å²	184	64.4 Å²	64.4	80%	0.8	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-41.8	-179.5	-68.8	179.9	176.8	-172.7	0	112	K182 V183	K182-K185 WeakPolarHBondContact O-CB 3.24Å; K182-K185 PolarHBondContact O-N 2.8Å; V183-K185 PolarHBondContact O-N 2.98Å
186	K	83.2	Confident	92.6	Very high	97 Å²	97	64.9 Å²	64.9	42%	0.422	32%	0.315	S	S	.	.			trans	-159.1	139.7	-177.5	-173.6	179.7	179	-167.3	0	108.9	K182 V183 D188 W189	K182-K186 PolarHBondContact O-N 3.01Å; V183-K186 WeakPolarHBondContact CA-O 3.15Å; V183-K186 CarbonylContact O-C 3.58Å; K186-D188 WeakPolarHBondContact CE-O 3.46Å; K186-W189 VanDerWaalsContact O-CE2 3.28Å; K186-W189 WeakPolarHBondContact O-CZ2 3.2Å
187	L	75.1	Confident	92.6	Very high	36 Å²	36	63.7 Å²	63.7	19%	0.188	31%	0.308	C	S	.	.			trans	-119	-33.3	179.1	-158.9	145.5	0	0	0	112.7	K164 V183 W189	K164-L187 HydrophobicContact CB-CD1 4.3Å; K164-L187 HydrophobicContact CD-CD1 3.46Å; K164-L187 VanDerWaalsContact CD-CD1 3.46Å; K164-L187 HydrophobicContact CG-CD1 3.92Å; V183-L187 HydrophobicContact CG1-CD1 3.53Å; V183-L187 HydrophobicContact CG1-CG 4.18Å; L187-W189 PolarHBondContact O-N 2.89Å
188	D	82.2	Confident	92.5	Very high	102 Å²	102	60.7 Å²	60.7	55%	0.545	29%	0.289	S	S	.	.			trans	-79.9	70.9	-177.7	-49.3	-40.1	0	0	0	110.3	K186	K186-D188 WeakPolarHBondContact CE-O 3.46Å
189	W	91.6	Very high	92.5	Very high	15 Å²	15	59.1 Å²	59.1	6%	0.057	28%	0.282	C	S	.	.			trans	-81.8	136.9	177.4	-65.7	-44	0	0	0	110.4	I42 Q45 K182 V183 K186 L187 Q193 T194 T197	I42-W189 HydrophobicContact CG2-CE3 3.65Å; I42-W189 HydrophobicContact CG2-CZ3 3.42Å; I42-W189 VanDerWaalsContact CG2-CZ3 3.42Å; Q45-W189 PolarHBondContact N-O 3.1Å; K182-W189 HydrophobicContact CB-CH2 4.13Å; K182-W189 HydrophobicContact CB-CZ2 4.01Å; V183-W189 HydrophobicContact CB-CH2 4.43Å; V183-W189 HydrophobicContact CG2-CH2 3.59Å; V183-W189 HydrophobicContact CG2-CZ3 4.06Å; K186-W189 VanDerWaalsContact O-CE2 3.28Å; K186-W189 WeakPolarHBondContact O-CZ2 3.2Å; L187-W189 PolarHBondContact O-N 2.89Å; W189-Q193 HydrophobicContact CB-CB 3.94Å; W189-Q193 HydrophobicContact CG-CB 4.3Å; W189-T194 VanDerWaalsContact CB-OG1 3.3Å; W189-T194 WeakPolarHBondContact CB-OG1 3.33Å; W189-T197 HydrophobicContact CH2-CG2 3.99Å; W189-T197 HydrophobicContact CZ2-CG2 4.19Å; W189-T197 HydrophobicContact CZ3-CG2 4.33Å
190	T	95.3	Very high	92.5	Very high	68 Å²	68	61 Å²	61	42%	0.417	29%	0.294	S	S	.	.			trans	-65.6	167.5	167.2	66.4	0	0	0	0	110	A192 Q193 T194	T190-A192 PolarHBondContact O-N 3.48Å; T190-Q193 PolarHBondContact O-N 3.28Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.23Å; T190-Q193 PolarHBondContact OG1-N 2.9Å; T190-T194 WeakPolarHBondContact O-CB 3.33Å; T190-T194 PolarHBondContact O-N 3.41Å; T190-T194 PolarHBondContact O-OG1 3.42Å
191	F	95	Very high	92.6	Very high	71 Å²	71	56 Å²	56	31%	0.311	27%	0.27	S	S	.	.	H	α-helix	trans	-50.4	-53.5	177.3	179.7	-103.3	0	0	0	112.9	C47 Q193 T194 I195 V219 T221	C47-F191 HydrophobicContact CB-CD2 3.76Å; C47-F191 HydrophobicContact CB-CE2 4.43Å; F191-Q193 PolarHBondContact O-N 3.49Å; F191-T194 WeakPolarHBondContact O-CB 3.33Å; F191-T194 PolarHBondContact O-N 2.69Å; F191-I195 HydrophobicContact CD1-CD1 4.04Å; F191-I195 HydrophobicContact CD2-CD1 4.48Å; F191-I195 HydrophobicContact CE1-CD1 3.46Å; F191-I195 VanDerWaalsContact CE1-CD1 3.46Å; F191-I195 HydrophobicContact CE2-CD1 3.97Å; F191-I195 HydrophobicContact CZ-CD1 3.44Å; F191-I195 VanDerWaalsContact CZ-CD1 3.44Å; F191-I195 PolarHBondContact O-N 2.88Å; F191-V219 HydrophobicContact CE2-CB 4.03Å; F191-V219 HydrophobicContact CE2-CG1 4.13Å; F191-V219 HydrophobicContact CE2-CG2 4.32Å; F191-V219 HydrophobicContact CZ-CB 4.34Å; F191-V219 HydrophobicContact CZ-CG1 4.18Å; F191-V219 HydrophobicContact CZ-CG2 4.29Å; F191-T221 HydrophobicContact CD2-CG2 3.71Å; F191-T221 HydrophobicContact CE2-CG2 3.63Å
192	A	94.7	Very high	92.6	Very high	34 Å²	34	49.4 Å²	49.4	28%	0.281	24%	0.242	S	C	.	.	H	α-helix	trans	-61.4	-45.4	178.7	0	0	0	0	0	112.3	T190 T194 I195 E196	T190-A192 PolarHBondContact O-N 3.48Å; A192-T194 PolarHBondContact O-N 3.26Å; A192-I195 PolarHBondContact O-N 2.98Å; A192-E196 VanDerWaalsContact O-CB 3.31Å; A192-E196 WeakPolarHBondContact O-CB 3.41Å; A192-E196 WeakPolarHBondContact O-CG 3.35Å; A192-E196 PolarHBondContact O-N 3.19Å
193	Q	94.8	Very high	92.7	Very high	61 Å²	61	46.4 Å²	46.4	29%	0.285	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-32.9	179.2	-72.9	177	-4.9	0	0	112.6	W189 T190 F191 T197	W189-Q193 HydrophobicContact CB-CB 3.94Å; W189-Q193 HydrophobicContact CG-CB 4.3Å; T190-Q193 PolarHBondContact O-N 3.28Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.23Å; T190-Q193 PolarHBondContact OG1-N 2.9Å; F191-Q193 PolarHBondContact O-N 3.49Å; Q193-T197 VanDerWaalsContact O-CB 3.22Å; Q193-T197 WeakPolarHBondContact O-CB 3.34Å; Q193-T197 PolarHBondContact O-N 3.13Å; Q193-T197 PolarHBondContact O-OG1 3.16Å
194	T	96.6	Very high	93	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-47	178.6	-54.6	0	0	0	0	110.7	I42 G44 V49 W189 T190 F191 A192 A198	I42-T194 HydrophobicContact CB-CG2 3.97Å; I42-T194 HydrophobicContact CG2-CG2 3.79Å; G44-T194 WeakPolarHBondContact CA-OG1 3.37Å; V49-T194 HydrophobicContact CB-CG2 4.13Å; V49-T194 HydrophobicContact CG2-CG2 3.7Å; W189-T194 VanDerWaalsContact CB-OG1 3.3Å; W189-T194 WeakPolarHBondContact CB-OG1 3.33Å; T190-T194 WeakPolarHBondContact O-CB 3.33Å; T190-T194 PolarHBondContact O-N 3.41Å; T190-T194 PolarHBondContact O-OG1 3.42Å; F191-T194 WeakPolarHBondContact O-CB 3.33Å; F191-T194 PolarHBondContact O-N 2.69Å; A192-T194 PolarHBondContact O-N 3.26Å; T194-A198 WeakPolarHBondContact O-CB 3.41Å; T194-A198 PolarHBondContact O-N 3.13Å
195	I	96.7	Very high	93.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-48.4	176.1	-64.8	171.9	0	0	0	110.7	V49 F191 A192 T197 A198 I199 I217 V219 L230 H238	V49-I195 HydrophobicContact CG1-CG1 4.08Å; V49-I195 HydrophobicContact CG2-CG1 3.83Å; F191-I195 HydrophobicContact CD1-CD1 4.04Å; F191-I195 HydrophobicContact CD2-CD1 4.48Å; F191-I195 HydrophobicContact CE1-CD1 3.46Å; F191-I195 VanDerWaalsContact CE1-CD1 3.46Å; F191-I195 HydrophobicContact CE2-CD1 3.97Å; F191-I195 HydrophobicContact CZ-CD1 3.44Å; F191-I195 VanDerWaalsContact CZ-CD1 3.44Å; F191-I195 PolarHBondContact O-N 2.88Å; A192-I195 PolarHBondContact O-N 2.98Å; I195-T197 PolarHBondContact O-N 3.41Å; I195-A198 WeakPolarHBondContact O-CB 3.38Å; I195-A198 PolarHBondContact O-N 3.42Å; I195-A198 VanDerWaalsContact O-N 3.16Å; I195-I199 HydrophobicContact CG2-CD1 3.8Å; I195-I199 HydrophobicContact CG2-CG1 4.38Å; I195-I199 WeakPolarHBondContact O-CG1 3.5Å; I195-I199 PolarHBondContact O-N 3.43Å; I195-I217 HydrophobicContact CG2-CD1 4.05Å; I195-V219 HydrophobicContact CD1-CG1 4.19Å; I195-L230 HydrophobicContact CD1-CD1 4.14Å; I195-H238 HydrophobicContact CG2-CB 4.18Å
196	E	95.1	Very high	93.7	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.051	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-47	179.3	-74.2	172.5	177.7	0	0	111	A192 A198 I199 T200 S241 L242 R245	A192-E196 VanDerWaalsContact O-CB 3.31Å; A192-E196 WeakPolarHBondContact O-CB 3.41Å; A192-E196 WeakPolarHBondContact O-CG 3.35Å; A192-E196 PolarHBondContact O-N 3.19Å; E196-A198 VanDerWaalsContact C-N 3.3Å; E196-A198 PolarHBondContact O-N 3.22Å; E196-I199 PolarHBondContact O-N 3.32Å; E196-T200 WeakPolarHBondContact O-CB 3.34Å; E196-T200 PolarHBondContact O-N 3.38Å; E196-T200 PolarHBondContact O-OG1 3.24Å; E196-S241 PolarHBondContact OE1-OG 3.46Å; E196-L242 HydrophobicContact CB-CD2 3.77Å; E196-L242 HydrophobicContact CB-CG 4.28Å; E196-L242 HydrophobicContact CG-CD2 3.96Å; E196-L242 HydrophobicContact CG-CG 4.03Å; E196-R245 IonicContact OE1-CZ 3Å; E196-R245 IonicContact OE1-NH1 3.39Å; E196-R245 PolarHBondContact OE1-NH1 3.41Å; E196-R245 IonicContact OE1-NH2 3.79Å; E196-R245 PolarHBondContact OE1-NH2 3.35Å; E196-R245 IonicContact OE2-CZ 3.69Å; E196-R245 IonicContact OE2-NH1 3.8Å; E196-R245 PolarHBondContact OE2-NH1 3.06Å; E196-R245 IonicContact OE2-NH2 3.35Å; E196-R245 PolarHBondContact OE2-NH2 3.23Å
197	T	96	Very high	94.3	Very high	19 Å²	19	34.9 Å²	34.9	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-38.1	177.5	-59.1	0	0	0	0	112.1	I42 K182 W189 Q193 I195 C201	I42-T197 HydrophobicContact CD1-CG2 4.06Å; K182-T197 HydrophobicContact CB-CG2 4.47Å; W189-T197 HydrophobicContact CH2-CG2 3.99Å; W189-T197 HydrophobicContact CZ2-CG2 4.19Å; W189-T197 HydrophobicContact CZ3-CG2 4.33Å; Q193-T197 VanDerWaalsContact O-CB 3.22Å; Q193-T197 WeakPolarHBondContact O-CB 3.34Å; Q193-T197 PolarHBondContact O-N 3.13Å; Q193-T197 PolarHBondContact O-OG1 3.16Å; I195-T197 PolarHBondContact O-N 3.41Å; T197-C201 VanDerWaalsContact O-CB 3.27Å; T197-C201 WeakPolarHBondContact O-CB 3.22Å; T197-C201 PolarHBondContact O-N 3.13Å
198	A	96.9	Very high	95.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-49	175.3	0	0	0	0	0	111.7	L40 I42 V51 T194 I195 E196 C201 L202	L40-A198 HydrophobicContact CD1-CB 3.45Å; L40-A198 VanDerWaalsContact CD1-CB 3.45Å; L40-A198 WeakPolarHBondContact CD2-O 3.28Å; I42-A198 HydrophobicContact CD1-CB 3.8Å; I42-A198 HydrophobicContact CG1-CB 4.37Å; V51-A198 HydrophobicContact CB-CB 4.44Å; V51-A198 HydrophobicContact CG2-CB 3.64Å; T194-A198 WeakPolarHBondContact O-CB 3.41Å; T194-A198 PolarHBondContact O-N 3.13Å; I195-A198 WeakPolarHBondContact O-CB 3.38Å; I195-A198 PolarHBondContact O-N 3.42Å; I195-A198 VanDerWaalsContact O-N 3.16Å; E196-A198 VanDerWaalsContact C-N 3.3Å; E196-A198 PolarHBondContact O-N 3.22Å; A198-C201 PolarHBondContact O-N 3.02Å; A198-L202 PolarHBondContact O-N 3.5Å; A198-L202 VanDerWaalsContact O-N 3.15Å
199	I	96.9	Very high	95.7	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-49.2	177.5	-64.5	170	0	0	0	110.7	I195 E196 C201 L202 S203 L215 I217 H238 L239 L242	I195-I199 HydrophobicContact CG2-CD1 3.8Å; I195-I199 HydrophobicContact CG2-CG1 4.38Å; I195-I199 WeakPolarHBondContact O-CG1 3.5Å; I195-I199 PolarHBondContact O-N 3.43Å; E196-I199 PolarHBondContact O-N 3.32Å; I199-C201 VanDerWaalsContact C-N 3.28Å; I199-C201 PolarHBondContact O-N 3.29Å; I199-L202 PolarHBondContact O-N 3.21Å; I199-L202 VanDerWaalsContact O-N 3.13Å; I199-S203 WeakPolarHBondContact O-CB 3.43Å; I199-S203 PolarHBondContact O-N 3.15Å; I199-L215 HydrophobicContact CG1-CD1 4.41Å; I199-L215 HydrophobicContact CG2-CD1 4.35Å; I199-I217 HydrophobicContact CD1-CD1 3.8Å; I199-I217 HydrophobicContact CG1-CD1 3.99Å; I199-H238 HydrophobicContact CD1-CB 4.08Å; I199-L239 HydrophobicContact CD1-CD2 4.38Å; I199-L239 HydrophobicContact CG2-CD2 3.72Å; I199-L242 HydrophobicContact CB-CD1 3.85Å; I199-L242 HydrophobicContact CD1-CD1 4.28Å; I199-L242 HydrophobicContact CG2-CD1 3.62Å
200	T	96.3	Very high	95.9	Very high	43 Å²	43	39.1 Å²	39.1	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-59.4	-39.8	179.1	-52.7	0	0	0	0	111.5	F178 E196 T204	F178-T200 HydrophobicContact CZ-CG2 4.05Å; E196-T200 WeakPolarHBondContact O-CB 3.34Å; E196-T200 PolarHBondContact O-N 3.38Å; E196-T200 PolarHBondContact O-OG1 3.24Å; T200-T204 VanDerWaalsContact O-CB 3.26Å; T200-T204 WeakPolarHBondContact O-CB 3.35Å; T200-T204 PolarHBondContact O-N 3.35Å; T200-T204 PolarHBondContact O-OG1 2.84Å
201	C	97.2	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-48.9	176	-178.1	0	0	0	0	111.1	L40 F178 L179 T197 A198 I199 V205	L40-C201 HydrophobicContact CD2-CB 4.08Å; F178-C201 HydrophobicContact CD1-CB 3.54Å; F178-C201 WeakPolarHBondContact CD1-SG 3.3Å; F178-C201 HydrophobicContact CE1-CB 3.55Å; F178-C201 HydrophobicContact CG-CB 4.41Å; F178-C201 HydrophobicContact CZ-CB 4.42Å; L179-C201 HydrophobicContact CD2-CB 4.27Å; T197-C201 VanDerWaalsContact O-CB 3.27Å; T197-C201 WeakPolarHBondContact O-CB 3.22Å; T197-C201 PolarHBondContact O-N 3.13Å; A198-C201 PolarHBondContact O-N 3.02Å; I199-C201 VanDerWaalsContact C-N 3.28Å; I199-C201 PolarHBondContact O-N 3.29Å; C201-V205 VanDerWaalsContact O-CB 3.31Å; C201-V205 WeakPolarHBondContact O-CB 3.44Å; C201-V205 WeakPolarHBondContact O-CG2 3.31Å; C201-V205 PolarHBondContact O-N 3.28Å; C201-V205 VanDerWaalsContact O-N 3.1Å
202	L	96.7	Very high	96	Very high	2 Å²	2	40 Å²	40	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-43.9	-177.8	-164.8	55	0	0	0	111.3	T38 L40 V51 Q53 A198 I199 V205 L206 F210 L215	T38-L202 HydrophobicContact CG2-CD1 4.14Å; L40-L202 HydrophobicContact CD2-CB 3.81Å; L40-L202 HydrophobicContact CD2-CD1 4.23Å; L40-L202 HydrophobicContact CD2-CG 4.45Å; V51-L202 HydrophobicContact CG1-CD2 3.84Å; Q53-L202 HydrophobicContact CG-CD1 4.39Å; Q53-L202 HydrophobicContact CG-CD2 4.06Å; Q53-L202 HydrophobicContact CG-CG 4.48Å; A198-L202 PolarHBondContact O-N 3.5Å; A198-L202 VanDerWaalsContact O-N 3.15Å; I199-L202 PolarHBondContact O-N 3.21Å; I199-L202 VanDerWaalsContact O-N 3.13Å; L202-V205 PolarHBondContact O-N 3.09Å; L202-L206 HydrophobicContact CD1-CD1 3.51Å; L202-L206 HydrophobicContact CD1-CG 4.35Å; L202-L206 HydrophobicContact CG-CD1 3.77Å; L202-L206 WeakPolarHBondContact O-CB 3.44Å; L202-L206 WeakPolarHBondContact O-CG 3.38Å; L202-L206 PolarHBondContact O-N 2.95Å; L202-F210 HydrophobicContact CB-CE2 4.13Å; L202-F210 HydrophobicContact CD2-CE2 4.23Å; L202-F210 HydrophobicContact CD2-CZ 4.2Å; L202-F210 HydrophobicContact CG-CE2 3.86Å; L202-F210 HydrophobicContact CG-CZ 3.92Å; L202-L215 HydrophobicContact CD2-CD2 3.64Å
203	S	96.6	Very high	96.1	Very high	23 Å²	23	41.1 Å²	41.1	16%	0.161	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-48.5	177.4	168.3	0	0	0	0	111.6	I199 V205 L206 S207 I208	I199-S203 WeakPolarHBondContact O-CB 3.43Å; I199-S203 PolarHBondContact O-N 3.15Å; S203-V205 PolarHBondContact O-N 3.26Å; S203-L206 PolarHBondContact O-N 3.35Å; S203-S207 VanDerWaalsContact O-CA 3.28Å; S203-S207 WeakPolarHBondContact O-CA 3.16Å; S203-S207 PolarHBondContact O-N 3Å; S203-I208 VanDerWaalsContact CA-O 3.28Å; S203-I208 WeakPolarHBondContact CA-O 3.42Å; S203-I208 WeakPolarHBondContact CB-O 3.24Å; S203-I208 PolarHBondContact O-N 3.21Å; S203-I208 VanDerWaalsContact O-N 3.17Å; S203-I208 PolarHBondContact OG-O 2.83Å
204	T	96.8	Very high	96.2	Very high	74 Å²	74	41.4 Å²	41.4	45%	0.454	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-43.2	179.3	-57.4	0	0	0	0	112	F178 T200 L206	F178-T204 HydrophobicContact CD2-CG2 4.07Å; F178-T204 HydrophobicContact CE2-CG2 3.96Å; T200-T204 VanDerWaalsContact O-CB 3.26Å; T200-T204 WeakPolarHBondContact O-CB 3.35Å; T200-T204 PolarHBondContact O-N 3.35Å; T200-T204 PolarHBondContact O-OG1 2.84Å; T204-L206 VanDerWaalsContact C-N 3.34Å
205	V	97.3	Very high	96.2	Very high	21 Å²	21	41.7 Å²	41.7	13%	0.127	23%	0.234	C	C	.	.	H	α-helix	trans	-74.6	-28.3	-174.1	168.3	0	0	0	0	112.2	K171 E174 A175 F178 C201 L202 S203	K171-V205 HydrophobicContact CB-CG1 3.35Å; K171-V205 HydrophobicContact CD-CG1 4.2Å; K171-V205 HydrophobicContact CG-CG1 3.89Å; E174-V205 HydrophobicContact CB-CG1 3.78Å; E174-V205 HydrophobicContact CB-CG2 4.21Å; A175-V205 HydrophobicContact CB-CG2 4.32Å; F178-V205 HydrophobicContact CB-CG2 4.49Å; C201-V205 VanDerWaalsContact O-CB 3.31Å; C201-V205 WeakPolarHBondContact O-CB 3.44Å; C201-V205 WeakPolarHBondContact O-CG2 3.31Å; C201-V205 PolarHBondContact O-N 3.28Å; C201-V205 VanDerWaalsContact O-N 3.1Å; L202-V205 PolarHBondContact O-N 3.09Å; S203-V205 PolarHBondContact O-N 3.26Å
206	L	96.4	Very high	96.3	Very high	38 Å²	38	42.3 Å²	42.3	20%	0.199	24%	0.237	C	C	.	.	H	α-helix	trans	-97.6	-10.8	178	-65.3	167.6	0	0	0	113.1	Q53 K171 L202 S203 T204 I208 F210	Q53-L206 HydrophobicContact CG-CD1 3.97Å; K171-L206 HydrophobicContact CG-CD2 3.91Å; L202-L206 HydrophobicContact CD1-CD1 3.51Å; L202-L206 HydrophobicContact CD1-CG 4.35Å; L202-L206 HydrophobicContact CG-CD1 3.77Å; L202-L206 WeakPolarHBondContact O-CB 3.44Å; L202-L206 WeakPolarHBondContact O-CG 3.38Å; L202-L206 PolarHBondContact O-N 2.95Å; S203-L206 PolarHBondContact O-N 3.35Å; T204-L206 VanDerWaalsContact C-N 3.34Å; L206-I208 VanDerWaalsContact C-N 3.3Å; L206-I208 HydrophobicContact CB-CB 4.4Å; L206-I208 HydrophobicContact CB-CD1 4.13Å; L206-I208 HydrophobicContact CB-CG1 4.3Å; L206-I208 WeakPolarHBondContact O-CG1 3.43Å; L206-F210 HydrophobicContact CD1-CZ 3.71Å
207	S	95.6	Very high	96.5	Very high	111 Å²	111	41.8 Å²	41.8	78%	0.776	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	46.1	-172.2	-54.2	0	0	0	0	112	S203	S203-S207 VanDerWaalsContact O-CA 3.28Å; S203-S207 WeakPolarHBondContact O-CA 3.16Å; S203-S207 PolarHBondContact O-N 3Å
208	I	94.3	Very high	96.6	Very high	70 Å²	70	40.9 Å²	40.9	36%	0.359	23%	0.229	S	C	.	.			trans	-132.7	133.2	-176.8	-67.6	170.7	0	0	0	109.5	S203 L206 F210	S203-I208 VanDerWaalsContact CA-O 3.28Å; S203-I208 WeakPolarHBondContact CA-O 3.42Å; S203-I208 WeakPolarHBondContact CB-O 3.24Å; S203-I208 PolarHBondContact O-N 3.21Å; S203-I208 VanDerWaalsContact O-N 3.17Å; S203-I208 PolarHBondContact OG-O 2.83Å; L206-I208 VanDerWaalsContact C-N 3.3Å; L206-I208 HydrophobicContact CB-CB 4.4Å; L206-I208 HydrophobicContact CB-CD1 4.13Å; L206-I208 HydrophobicContact CB-CG1 4.3Å; L206-I208 WeakPolarHBondContact O-CG1 3.43Å; I208-F210 HydrophobicContact CB-CZ 4.39Å; I208-F210 HydrophobicContact CG2-CD1 3.99Å; I208-F210 HydrophobicContact CG2-CE1 3.95Å; I208-F210 HydrophobicContact CG2-CG 4.37Å; I208-F210 HydrophobicContact CG2-CZ 4.28Å
209	D	93.3	Very high	96.6	Very high	148 Å²	148	41.1 Å²	41.1	79%	0.791	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-88.5	118.9	163.6	-59.7	-38.7	0	0	0	108.5
210	F	95.6	Very high	96.7	Very high	23 Å²	23	41 Å²	41	10%	0.101	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-85.8	142.3	-172.4	-71.4	-73.2	0	0	0	112.2	Q53 L202 L206 I208 E214 L215	Q53-F210 HydrophobicContact CG-CE1 4.48Å; Q53-F210 HydrophobicContact CG-CZ 4.43Å; L202-F210 HydrophobicContact CB-CE2 4.13Å; L202-F210 HydrophobicContact CD2-CE2 4.23Å; L202-F210 HydrophobicContact CD2-CZ 4.2Å; L202-F210 HydrophobicContact CG-CE2 3.86Å; L202-F210 HydrophobicContact CG-CZ 3.92Å; L206-F210 HydrophobicContact CD1-CZ 3.71Å; I208-F210 HydrophobicContact CB-CZ 4.39Å; I208-F210 HydrophobicContact CG2-CD1 3.99Å; I208-F210 HydrophobicContact CG2-CE1 3.95Å; I208-F210 HydrophobicContact CG2-CG 4.37Å; I208-F210 HydrophobicContact CG2-CZ 4.28Å; F210-E214 HydrophobicContact CD1-CB 3.9Å; F210-L215 HydrophobicContact CB-CD1 3.58Å; F210-L215 HydrophobicContact CB-CD2 4.43Å; F210-L215 HydrophobicContact CB-CG 3.79Å; F210-L215 HydrophobicContact CD1-CD1 4.47Å; F210-L215 HydrophobicContact CD1-CD2 3.79Å; F210-L215 HydrophobicContact CD1-CG 3.92Å; F210-L215 HydrophobicContact CD2-CD1 3.9Å; F210-L215 HydrophobicContact CD2-CD2 3.93Å; F210-L215 HydrophobicContact CD2-CG 4.16Å; F210-L215 HydrophobicContact CE1-CD2 3.93Å; F210-L215 HydrophobicContact CE2-CD2 4.06Å; F210-L215 HydrophobicContact CG-CD1 3.74Å; F210-L215 HydrophobicContact CG-CD2 3.78Å; F210-L215 HydrophobicContact CG-CG 3.69Å; F210-L215 HydrophobicContact CZ-CD2 4.06Å
211	K	96.4	Very high	96.7	Very high	133 Å²	133	40.4 Å²	40.4	58%	0.578	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-81.5	156.8	158.4	-64.1	177	-177.3	175.3	0	110.3	S213 E214	K211-S213 PolarHBondContact O-N 3.15Å; K211-S213 VanDerWaalsContact O-N 3.14Å; K211-E214 HydrophobicContact CB-CG 4.15Å; K211-E214 PolarHBondContact N-OE2 3.07Å; K211-E214 WeakPolarHBondContact O-CB 3.33Å; K211-E214 PolarHBondContact O-N 3.45Å
212	P	96.6	Very high	96.6	Very high	26 Å²	26	43.1 Å²	43.1	17%	0.169	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-54.1	-36.5	176.5	-25.1	32.1	0	0	0	113.6	E214 L215 E232 I235 D236 L239	P212-E214 PolarHBondContact O-N 3.29Å; P212-L215 PolarHBondContact O-N 2.85Å; P212-E232 HydrophobicContact CB-CB 4.13Å; P212-E232 WeakPolarHBondContact CB-O 3.33Å; P212-I235 HydrophobicContact CB-CB 4.42Å; P212-I235 HydrophobicContact CB-CG2 4.28Å; P212-D236 HydrophobicContact CB-CB 4.33Å; P212-D236 HydrophobicContact CG-CB 3.61Å; P212-D236 WeakPolarHBondContact CG-OD1 3.32Å; P212-L239 HydrophobicContact CB-CD1 4.44Å; P212-L239 HydrophobicContact CG-CD1 3.93Å
213	S	96.4	Very high	96.6	Very high	56 Å²	56	51.9 Å²	51.9	39%	0.392	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-70.6	-11.6	179.2	61	0	0	0	0	114.8	K211	K211-S213 PolarHBondContact O-N 3.15Å; K211-S213 VanDerWaalsContact O-N 3.14Å
214	E	96.8	Very high	96.5	Very high	68 Å²	68	54.6 Å²	54.6	32%	0.318	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-99.5	-0.3	-176.1	-63.5	173.2	158.5	0	0	112.8	K54 F210 K211 P212	K54-E214 PolarHBondContact N-O 3.43Å; F210-E214 HydrophobicContact CD1-CB 3.9Å; K211-E214 HydrophobicContact CB-CG 4.15Å; K211-E214 PolarHBondContact N-OE2 3.07Å; K211-E214 WeakPolarHBondContact O-CB 3.33Å; K211-E214 PolarHBondContact O-N 3.45Å; P212-E214 PolarHBondContact O-N 3.29Å
215	L	97.1	Very high	96.4	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.7	179	-67.3	176.7	0	0	0	111	V51 T52 I199 L202 F210 P212	V51-L215 HydrophobicContact CG1-CD2 4.13Å; T52-L215 WeakPolarHBondContact O-CA 3.28Å; I199-L215 HydrophobicContact CG1-CD1 4.41Å; I199-L215 HydrophobicContact CG2-CD1 4.35Å; L202-L215 HydrophobicContact CD2-CD2 3.64Å; F210-L215 HydrophobicContact CB-CD1 3.58Å; F210-L215 HydrophobicContact CB-CD2 4.43Å; F210-L215 HydrophobicContact CB-CG 3.79Å; F210-L215 HydrophobicContact CD1-CD1 4.47Å; F210-L215 HydrophobicContact CD1-CD2 3.79Å; F210-L215 HydrophobicContact CD1-CG 3.92Å; F210-L215 HydrophobicContact CD2-CD1 3.9Å; F210-L215 HydrophobicContact CD2-CD2 3.93Å; F210-L215 HydrophobicContact CD2-CG 4.16Å; F210-L215 HydrophobicContact CE1-CD2 3.93Å; F210-L215 HydrophobicContact CE2-CD2 4.06Å; F210-L215 HydrophobicContact CG-CD1 3.74Å; F210-L215 HydrophobicContact CG-CD2 3.78Å; F210-L215 HydrophobicContact CG-CG 3.69Å; F210-L215 HydrophobicContact CZ-CD2 4.06Å; P212-L215 PolarHBondContact O-N 2.85Å
216	E	97.9	Very high	96.4	Very high	14 Å²	14	57.8 Å²	57.8	7%	0.065	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.1	162.3	-58	-177.2	110.3	0	0	108.5	V51 T52 K54 T67 H68 L69	V51-E216 WeakPolarHBondContact CA-O 3.37Å; T52-E216 HydrophobicContact CG2-CB 3.95Å; T52-E216 PolarHBondContact N-O 2.94Å; T52-E216 PolarHBondContact O-N 3Å; K54-E216 HydrophobicContact CB-CG 4.05Å; K54-E216 HydrophobicContact CD-CG 3.82Å; K54-E216 HydrophobicContact CG-CG 4.22Å; T67-E216 WeakPolarHBondContact CA-OE1 3.43Å; T67-E216 VanDerWaalsContact CA-OE2 3.32Å; T67-E216 WeakPolarHBondContact CA-OE2 3.5Å; T67-E216 WeakPolarHBondContact CB-OE1 3.36Å; T67-E216 VanDerWaalsContact OG1-CD 3.25Å; T67-E216 PolarHBondContact OG1-OE1 3.01Å; T67-E216 PolarHBondContact OG1-OE2 2.94Å; H68-E216 PolarHBondContact N-OE2 3.13Å; L69-E216 HydrophobicContact CD1-CB 3.64Å; L69-E216 HydrophobicContact CG-CB 4.04Å
217	I	98.5	Very high	96.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.1	-179.9	-53.1	-170.9	0	0	0	108.7	V49 V50 V51 I195 I199 V219 I229 L230 I235	V49-I217 HydrophobicContact CG1-CG2 3.84Å; V50-I217 WeakPolarHBondContact O-CA 3.33Å; V51-I217 HydrophobicContact CG1-CG1 4.24Å; V51-I217 HydrophobicContact CG2-CB 4.47Å; V51-I217 HydrophobicContact CG2-CD1 4.24Å; V51-I217 HydrophobicContact CG2-CG1 3.99Å; V51-I217 HydrophobicContact CG2-CG2 4.08Å; I195-I217 HydrophobicContact CG2-CD1 4.05Å; I199-I217 HydrophobicContact CD1-CD1 3.8Å; I199-I217 HydrophobicContact CG1-CD1 3.99Å; I217-V219 HydrophobicContact CG2-CG1 3.91Å; I217-I229 WeakPolarHBondContact O-CA 3.49Å; I217-L230 HydrophobicContact CB-CB 4.29Å; I217-L230 HydrophobicContact CB-CD1 3.91Å; I217-L230 HydrophobicContact CB-CG 4.12Å; I217-L230 HydrophobicContact CG2-CD1 3.66Å; I217-L230 HydrophobicContact CG2-CG 4.07Å; I217-L230 PolarHBondContact O-N 3.29Å; I217-I235 HydrophobicContact CB-CD1 4.46Å; I217-I235 HydrophobicContact CB-CG1 4.42Å; I217-I235 HydrophobicContact CD1-CG1 4.06Å; I217-I235 HydrophobicContact CD1-CG2 4.19Å; I217-I235 HydrophobicContact CG1-CD1 4.14Å; I217-I235 HydrophobicContact CG1-CG1 4.13Å
218	G	98.4	Very high	96.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.2	172.4	0	0	0	0	0	109.6	V49 V50 R228	V49-G218 WeakPolarHBondContact CA-O 3.48Å; V50-G218 WeakPolarHBondContact CG2-O 3.39Å; V50-G218 PolarHBondContact N-O 3.1Å; V50-G218 PolarHBondContact O-N 3.03Å; G218-R228 CarbonylContact C-O 3.55Å; G218-R228 WeakPolarHBondContact CA-O 3.23Å
219	V	98.3	Very high	96.8	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.3	-176.8	-57.1	0	0	0	0	111	V49 F191 I195 I217 R228 L230	V49-V219 HydrophobicContact CG1-CG1 4.27Å; V49-V219 HydrophobicContact CG2-CG1 4.14Å; F191-V219 HydrophobicContact CE2-CB 4.03Å; F191-V219 HydrophobicContact CE2-CG1 4.13Å; F191-V219 HydrophobicContact CE2-CG2 4.32Å; F191-V219 HydrophobicContact CZ-CB 4.34Å; F191-V219 HydrophobicContact CZ-CG1 4.18Å; F191-V219 HydrophobicContact CZ-CG2 4.29Å; I195-V219 HydrophobicContact CD1-CG1 4.19Å; I217-V219 HydrophobicContact CG2-CG1 3.91Å; V219-R228 HydrophobicContact CG2-CB 4.21Å; V219-R228 PolarHBondContact N-O 2.93Å; V219-R228 PolarHBondContact O-N 3.48Å; V219-L230 HydrophobicContact CG1-CD1 4.21Å; V219-L230 HydrophobicContact CG1-CD2 4.21Å; V219-L230 HydrophobicContact CG1-CG 4.12Å; V219-L230 HydrophobicContact CG2-CD2 3.78Å; V219-L230 HydrophobicContact CG2-CG 4.44Å
220	I	97.9	Very high	97	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	140.2	165.1	-162.6	172.9	0	0	0	108.6	C47 A48 N75 I141 V143 P225	C47-I220 CarbonylContact C-O 3.53Å; C47-I220 WeakPolarHBondContact CA-O 3.3Å; C47-I220 VanDerWaalsContact CB-O 3.3Å; C47-I220 WeakPolarHBondContact CB-O 3.44Å; A48-I220 HydrophobicContact CB-CG2 3.94Å; A48-I220 PolarHBondContact N-O 3.1Å; A48-I220 PolarHBondContact O-N 3.45Å; N75-I220 WeakPolarHBondContact O-CD1 3.46Å; I141-I220 HydrophobicContact CD1-CG2 4.12Å; I141-I220 HydrophobicContact CG1-CG2 4.46Å; V143-I220 HydrophobicContact CB-CD1 4.48Å; V143-I220 HydrophobicContact CG2-CD1 4.06Å; V143-I220 HydrophobicContact CG2-CG1 3.92Å; V143-I220 HydrophobicContact CG2-CG2 4.05Å; I220-P225 WeakPolarHBondContact CD1-O 3.47Å
221	T	97.4	Very high	97.1	Very high	31 Å²	31	51.6 Å²	51.6	19%	0.19	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.5	-178.8	68	0	0	0	0	110.7	D46 C47 F191 E223 D224 P225	D46-T221 CarbonylContact O-C 3.52Å; D46-T221 VanDerWaalsContact O-CA 3.31Å; D46-T221 WeakPolarHBondContact O-CA 3.5Å; C47-T221 HydrophobicContact CB-CG2 3.99Å; F191-T221 HydrophobicContact CD2-CG2 3.71Å; F191-T221 HydrophobicContact CE2-CG2 3.63Å; T221-E223 VanDerWaalsContact C-N 3.29Å; T221-D224 CarbonylContact O-C 3.57Å; T221-D224 VanDerWaalsContact O-O 3.12Å; T221-D224 PolarHBondContact OG1-N 3.41Å; T221-D224 VanDerWaalsContact OG1-N 3.11Å; T221-D224 PolarHBondContact OG1-O 3.26Å; T221-P225 VanDerWaalsContact O-CA 3.27Å; T221-P225 WeakPolarHBondContact O-CA 3.42Å
222	T	95.5	Very high	97.1	Very high	57 Å²	57	50.5 Å²	50.5	35%	0.35	26%	0.259	S	S	.	.	S	Bend	trans	-68.3	-30.8	174.2	51.1	0	0	0	0	112.2	D46 V143 P149	D46-T222 PolarHBondContact O-N 3.44Å; D46-T222 PolarHBondContact O-OG1 3.09Å; V143-T222 HydrophobicContact CG1-CG2 4.1Å; P149-T222 HydrophobicContact CG-CG2 3.91Å
223	E	95.2	Very high	97.2	Very high	187 Å²	187	54.3 Å²	54.3	87%	0.874	28%	0.282	S	S	*	.	S	Bend	trans	-70.3	-42.1	177.7	-64.2	-177.8	173.1	0	0	112.9	T221	T221-E223 VanDerWaalsContact C-N 3.29Å
224	D	94.6	Very high	97.2	Very high	79 Å²	79	54.4 Å²	54.4	42%	0.422	28%	0.276	S	S	.	.	S	Bend	trans	-127.1	91.8	173.1	-175.9	16.4	0	0	0	108.6	T221 K226	T221-D224 CarbonylContact O-C 3.57Å; T221-D224 VanDerWaalsContact O-O 3.12Å; T221-D224 PolarHBondContact OG1-N 3.41Å; T221-D224 VanDerWaalsContact OG1-N 3.11Å; T221-D224 PolarHBondContact OG1-O 3.26Å; D224-K226 PolarHBondContact O-N 3.28Å
225	P	94.7	Very high	97.3	Very high	48 Å²	48	51.4 Å²	51.4	31%	0.312	26%	0.262	S	S	.	.			trans	-75.2	29.9	-173.8	32.8	-37.1	0	0	0	112.7	N75 V143 I220 T221	N75-P225 VanDerWaalsContact CA-O 3.25Å; N75-P225 WeakPolarHBondContact CA-O 3.39Å; N75-P225 WeakPolarHBondContact CB-O 3.29Å; N75-P225 VanDerWaalsContact CG-O 3.26Å; N75-P225 PolarHBondContact OD1-O 3.21Å; V143-P225 HydrophobicContact CB-CB 4.34Å; I220-P225 WeakPolarHBondContact CD1-O 3.47Å; T221-P225 VanDerWaalsContact O-CA 3.27Å; T221-P225 WeakPolarHBondContact O-CA 3.42Å
226	K	97.5	Very high	97.3	Very high	115 Å²	115	54.7 Å²	54.7	50%	0.5	28%	0.28	S	S	.	.	S	Bend	trans	-99.5	131.9	173.4	-67.9	178.9	-176.1	173.2	0	110.3	E74 D224 R228	E74-K226 CarbonylContact O-C 3.21Å; E74-K226 VanDerWaalsContact O-CA 3.28Å; E74-K226 WeakPolarHBondContact O-CA 3.48Å; D224-K226 PolarHBondContact O-N 3.28Å; K226-R228 PolarHBondContact O-N 3.05Å
227	F	98.4	Very high	97.2	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.035	31%	0.305	C	S	.	.			trans	-66.8	122.5	173.9	178.7	-112.1	0	0	0	110.5	V50 L69 K71 E74 G77 I141 I229	V50-F227 HydrophobicContact CG2-CE2 4.28Å; L69-F227 HydrophobicContact CB-CZ 4.46Å; K71-F227 HydrophobicContact CB-CD1 4.07Å; K71-F227 WeakPolarHBondContact CE-O 3.41Å; K71-F227 HydrophobicContact CG-CD1 4.36Å; E74-F227 PolarHBondContact O-N 3.46Å; G77-F227 VanDerWaalsContact CA-CG 3.43Å; I141-F227 HydrophobicContact CD1-CD2 4.2Å; I141-F227 HydrophobicContact CD1-CE2 4Å; I141-F227 HydrophobicContact CG1-CD2 4.4Å; I141-F227 HydrophobicContact CG1-CE2 4.33Å; F227-I229 HydrophobicContact CE1-CD1 4.35Å; F227-I229 HydrophobicContact CE1-CG1 3.92Å; F227-I229 HydrophobicContact CZ-CG1 4.11Å
228	R	97.9	Very high	97.1	Very high	95 Å²	95	60 Å²	60	36%	0.358	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.8	-177.6	-169.4	174	74.5	87.6	-15.7	110.5	G218 V219 K226 L230 E234	G218-R228 CarbonylContact C-O 3.55Å; G218-R228 WeakPolarHBondContact CA-O 3.23Å; V219-R228 HydrophobicContact CG2-CB 4.21Å; V219-R228 PolarHBondContact N-O 2.93Å; V219-R228 PolarHBondContact O-N 3.48Å; K226-R228 PolarHBondContact O-N 3.05Å; R228-L230 VanDerWaalsContact CZ-CD2 3.42Å; R228-E234 IonicContact CZ-OE1 2.78Å; R228-E234 IonicContact CZ-OE2 3.91Å; R228-E234 IonicContact NH1-OE1 2.79Å; R228-E234 PolarHBondContact NH1-OE1 3.1Å; R228-E234 IonicContact NH1-OE2 3.19Å; R228-E234 PolarHBondContact NH1-OE2 3.01Å; R228-E234 IonicContact NH2-OE1 3.94Å; R228-E234 PolarHBondContact NH2-OE1 2.82Å
229	I	98.2	Very high	96.9	Very high	75 Å²	75	61.4 Å²	61.4	39%	0.385	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.2	169.5	-60	174	0	0	0	107	L69 I217 F227	L69-I229 HydrophobicContact CB-CD1 3.8Å; L69-I229 HydrophobicContact CB-CG1 4.25Å; L69-I229 HydrophobicContact CD1-CD1 4.34Å; L69-I229 HydrophobicContact CD1-CG1 4.06Å; L69-I229 HydrophobicContact CD1-CG2 4.06Å; I217-I229 WeakPolarHBondContact O-CA 3.49Å; F227-I229 HydrophobicContact CE1-CD1 4.35Å; F227-I229 HydrophobicContact CE1-CG1 3.92Å; F227-I229 HydrophobicContact CZ-CG1 4.11Å
230	L	98	Very high	96.7	Very high	11 Å²	11	64.1 Å²	64.1	6%	0.058	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-68.7	142.9	177.4	-60	-170.1	0	0	0	110.4	I195 I217 V219 R228 E234 I235	I195-L230 HydrophobicContact CD1-CD1 4.14Å; I217-L230 HydrophobicContact CB-CB 4.29Å; I217-L230 HydrophobicContact CB-CD1 3.91Å; I217-L230 HydrophobicContact CB-CG 4.12Å; I217-L230 HydrophobicContact CG2-CD1 3.66Å; I217-L230 HydrophobicContact CG2-CG 4.07Å; I217-L230 PolarHBondContact O-N 3.29Å; V219-L230 HydrophobicContact CG1-CD1 4.21Å; V219-L230 HydrophobicContact CG1-CD2 4.21Å; V219-L230 HydrophobicContact CG1-CG 4.12Å; V219-L230 HydrophobicContact CG2-CD2 3.78Å; V219-L230 HydrophobicContact CG2-CG 4.44Å; R228-L230 VanDerWaalsContact CZ-CD2 3.42Å; L230-E234 HydrophobicContact CB-CB 4.25Å; L230-I235 HydrophobicContact CB-CD1 4.36Å; L230-I235 HydrophobicContact CB-CG1 3.85Å; L230-I235 HydrophobicContact CD1-CG1 4.48Å
231	T	98.1	Very high	96.5	Very high	71 Å²	71	65.5 Å²	65.5	44%	0.436	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-74.2	158	170.7	58.8	0	0	0	0	110.9	T233 E234 I235	T231-T233 PolarHBondContact O-N 3.32Å; T231-T233 PolarHBondContact OG1-OG1 3.15Å; T231-E234 PolarHBondContact N-OE2 3.34Å; T231-E234 PolarHBondContact O-N 3.24Å; T231-E234 VanDerWaalsContact OG1-CG 3.28Å; T231-E234 WeakPolarHBondContact OG1-CG 3.48Å; T231-E234 PolarHBondContact OG1-N 3.42Å; T231-E234 PolarHBondContact OG1-OE2 2.92Å; T231-I235 WeakPolarHBondContact O-CG1 3.42Å; T231-I235 PolarHBondContact O-N 3.16Å
232	E	96.8	Very high	96.1	Very high	110 Å²	110	65.2 Å²	65.2	51%	0.514	34%	0.341	S	S	.	.	H	α-helix	trans	-56.6	-35.8	176.9	-67.2	-174.5	-179.6	0	0	112.1	P212 E234 I235 D236	P212-E232 HydrophobicContact CB-CB 4.13Å; P212-E232 WeakPolarHBondContact CB-O 3.33Å; E232-E234 PolarHBondContact O-N 2.79Å; E232-I235 PolarHBondContact O-N 2.89Å; E232-D236 WeakPolarHBondContact O-CB 3.46Å; E232-D236 PolarHBondContact O-N 3.18Å
233	T	97.6	Very high	95.7	Very high	106 Å²	106	66 Å²	66	65%	0.65	35%	0.35	S	S	*	.	H	α-helix	trans	-64.4	-38.3	175.7	45.5	0	0	0	0	113.1	T231 V237	T231-T233 PolarHBondContact O-N 3.32Å; T231-T233 PolarHBondContact OG1-OG1 3.15Å; T233-V237 WeakPolarHBondContact O-CG2 3.5Å; T233-V237 PolarHBondContact O-N 3.28Å
234	E	97.3	Very high	95.2	Very high	58 Å²	58	64.5 Å²	64.5	27%	0.271	34%	0.342	S	S	.	.	H	α-helix	trans	-72.3	-37.2	176.5	-70.4	168.8	116.2	0	0	111.5	R228 L230 T231 E232 D236 V237 H238	R228-E234 IonicContact CZ-OE1 2.78Å; R228-E234 IonicContact CZ-OE2 3.91Å; R228-E234 IonicContact NH1-OE1 2.79Å; R228-E234 PolarHBondContact NH1-OE1 3.1Å; R228-E234 IonicContact NH1-OE2 3.19Å; R228-E234 PolarHBondContact NH1-OE2 3.01Å; R228-E234 IonicContact NH2-OE1 3.94Å; R228-E234 PolarHBondContact NH2-OE1 2.82Å; L230-E234 HydrophobicContact CB-CB 4.25Å; T231-E234 PolarHBondContact N-OE2 3.34Å; T231-E234 PolarHBondContact O-N 3.24Å; T231-E234 VanDerWaalsContact OG1-CG 3.28Å; T231-E234 WeakPolarHBondContact OG1-CG 3.48Å; T231-E234 PolarHBondContact OG1-N 3.42Å; T231-E234 PolarHBondContact OG1-OE2 2.92Å; E232-E234 PolarHBondContact O-N 2.79Å; E234-D236 VanDerWaalsContact C-N 3.32Å; E234-V237 PolarHBondContact O-N 3.03Å; E234-H238 PolarHBondContact O-CD2 2.9Å; E234-H238 PolarHBondContact O-N 2.71Å
235	I	97.5	Very high	94.4	Very high	4 Å²	4	68 Å²	68	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-63	-42.4	175.2	-63.6	171.3	0	0	0	110.1	P212 I217 L230 T231 E232 V237 H238 L239	P212-I235 HydrophobicContact CB-CB 4.42Å; P212-I235 HydrophobicContact CB-CG2 4.28Å; I217-I235 HydrophobicContact CB-CD1 4.46Å; I217-I235 HydrophobicContact CB-CG1 4.42Å; I217-I235 HydrophobicContact CD1-CG1 4.06Å; I217-I235 HydrophobicContact CD1-CG2 4.19Å; I217-I235 HydrophobicContact CG1-CD1 4.14Å; I217-I235 HydrophobicContact CG1-CG1 4.13Å; L230-I235 HydrophobicContact CB-CD1 4.36Å; L230-I235 HydrophobicContact CB-CG1 3.85Å; L230-I235 HydrophobicContact CD1-CG1 4.48Å; T231-I235 WeakPolarHBondContact O-CG1 3.42Å; T231-I235 PolarHBondContact O-N 3.16Å; E232-I235 PolarHBondContact O-N 2.89Å; I235-V237 VanDerWaalsContact C-N 3.34Å; I235-V237 PolarHBondContact O-N 3.33Å; I235-H238 PolarHBondContact O-N 2.83Å; I235-H238 VanDerWaalsContact O-N 3.12Å; I235-L239 HydrophobicContact CG2-CD1 3.93Å; I235-L239 HydrophobicContact CG2-CG 4.35Å; I235-L239 PolarHBondContact O-N 2.97Å
236	D	96.9	Very high	92.6	Very high	75 Å²	75	75.1 Å²	75.1	40%	0.401	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-41.4	179.5	-163.4	50.4	0	0	0	112.4	P212 E232 E234 H238 L239 V240	P212-D236 HydrophobicContact CB-CB 4.33Å; P212-D236 HydrophobicContact CG-CB 3.61Å; P212-D236 WeakPolarHBondContact CG-OD1 3.32Å; E232-D236 WeakPolarHBondContact O-CB 3.46Å; E232-D236 PolarHBondContact O-N 3.18Å; E234-D236 VanDerWaalsContact C-N 3.32Å; D236-H238 VanDerWaalsContact C-N 3.26Å; D236-H238 PolarHBondContact O-N 2.75Å; D236-L239 PolarHBondContact O-N 2.88Å; D236-L239 VanDerWaalsContact O-N 3.08Å; D236-V240 WeakPolarHBondContact O-CG2 3.3Å; D236-V240 PolarHBondContact O-N 2.87Å
237	V	96.8	Very high	92.4	Very high	99 Å²	99	73.2 Å²	73.2	60%	0.6	38%	0.379	S	S	*	.	H	α-helix	trans	-56.6	-41.2	174.9	172.5	0	0	0	0	111.6	T233 E234 I235 S241	T233-V237 WeakPolarHBondContact O-CG2 3.5Å; T233-V237 PolarHBondContact O-N 3.28Å; E234-V237 PolarHBondContact O-N 3.03Å; I235-V237 VanDerWaalsContact C-N 3.34Å; I235-V237 PolarHBondContact O-N 3.33Å; V237-S241 WeakPolarHBondContact O-CB 3.45Å; V237-S241 PolarHBondContact O-N 2.62Å
238	H	95.8	Very high	92.1	Very high	27 Å²	27	76.6 Å²	76.6	13%	0.125	40%	0.398	C	S	.	.	H	α-helix	trans	-71	-36.1	177.2	-70.5	-65.3	0	0	0	112.8	I195 I199 E234 I235 D236 L242	I195-H238 HydrophobicContact CG2-CB 4.18Å; I199-H238 HydrophobicContact CD1-CB 4.08Å; E234-H238 PolarHBondContact O-CD2 2.9Å; E234-H238 PolarHBondContact O-N 2.71Å; I235-H238 PolarHBondContact O-N 2.83Å; I235-H238 VanDerWaalsContact O-N 3.12Å; D236-H238 VanDerWaalsContact C-N 3.26Å; D236-H238 PolarHBondContact O-N 2.75Å; H238-L242 WeakPolarHBondContact O-CG 3.45Å; H238-L242 PolarHBondContact O-N 3.37Å; H238-L242 VanDerWaalsContact O-N 3.11Å
239	L	95.1	Very high	91.8	Very high	28 Å²	28	75.6 Å²	75.6	15%	0.147	40%	0.4	C	S	.	.	H	α-helix	trans	-67.6	-42.1	176.5	-70.3	169	0	0	0	111.7	I199 P212 I235 D236 L242 S243	I199-L239 HydrophobicContact CD1-CD2 4.38Å; I199-L239 HydrophobicContact CG2-CD2 3.72Å; P212-L239 HydrophobicContact CB-CD1 4.44Å; P212-L239 HydrophobicContact CG-CD1 3.93Å; I235-L239 HydrophobicContact CG2-CD1 3.93Å; I235-L239 HydrophobicContact CG2-CG 4.35Å; I235-L239 PolarHBondContact O-N 2.97Å; D236-L239 PolarHBondContact O-N 2.88Å; D236-L239 VanDerWaalsContact O-N 3.08Å; L239-L242 WeakPolarHBondContact O-CB 3.29Å; L239-L242 PolarHBondContact O-N 2.87Å; L239-S243 PolarHBondContact O-N 3.25Å; L239-S243 VanDerWaalsContact O-N 3.1Å
240	V	94.3	Very high	91.4	Very high	62 Å²	62	75.6 Å²	75.6	38%	0.376	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-46.7	175.5	175.1	0	0	0	0	110.8	D236 L242 S243 E244	D236-V240 WeakPolarHBondContact O-CG2 3.3Å; D236-V240 PolarHBondContact O-N 2.87Å; V240-L242 PolarHBondContact O-N 3.33Å; V240-S243 PolarHBondContact O-N 3.18Å; V240-S243 PolarHBondContact O-OG 3.35Å; V240-E244 PolarHBondContact O-N 3.27Å; V240-E244 VanDerWaalsContact O-N 3.1Å
241	S	92.2	Very high	91	Very high	29 Å²	29	79.6 Å²	79.6	20%	0.203	42%	0.422	C	S	.	.	H	α-helix	trans	-56	-36	175.3	173.5	0	0	0	0	113	E196 V237 R245	E196-S241 PolarHBondContact OE1-OG 3.46Å; V237-S241 WeakPolarHBondContact O-CB 3.45Å; V237-S241 PolarHBondContact O-N 2.62Å; S241-R245 WeakPolarHBondContact O-CG 3.24Å; S241-R245 PolarHBondContact OG-NH2 3.16Å
242	L	90.4	Very high	90.5	Very high	25 Å²	25	80.2 Å²	80.2	13%	0.131	42%	0.421	C	S	.	.	H	α-helix	trans	-66.9	-46.8	174.3	-79.5	168.4	0	0	0	111.5	E196 I199 H238 L239 V240 E244 R245 D246	E196-L242 HydrophobicContact CB-CD2 3.77Å; E196-L242 HydrophobicContact CB-CG 4.28Å; E196-L242 HydrophobicContact CG-CD2 3.96Å; E196-L242 HydrophobicContact CG-CG 4.03Å; I199-L242 HydrophobicContact CB-CD1 3.85Å; I199-L242 HydrophobicContact CD1-CD1 4.28Å; I199-L242 HydrophobicContact CG2-CD1 3.62Å; H238-L242 WeakPolarHBondContact O-CG 3.45Å; H238-L242 PolarHBondContact O-N 3.37Å; H238-L242 VanDerWaalsContact O-N 3.11Å; L239-L242 WeakPolarHBondContact O-CB 3.29Å; L239-L242 PolarHBondContact O-N 2.87Å; V240-L242 PolarHBondContact O-N 3.33Å; L242-E244 VanDerWaalsContact C-N 3.25Å; L242-E244 PolarHBondContact O-N 3.07Å; L242-R245 PolarHBondContact O-N 2.64Å; L242-R245 VanDerWaalsContact O-N 3.14Å; L242-D246 PolarHBondContact O-N 3.45Å
243	S	87.1	Confident	90	Very high	75 Å²	75	78.1 Å²	78.1	52%	0.524	42%	0.415	S	S	.	.	H	α-helix	trans	-64.5	-25.9	-178.7	70.3	0	0	0	0	114.4	L239 V240 R245	L239-S243 PolarHBondContact O-N 3.25Å; L239-S243 VanDerWaalsContact O-N 3.1Å; V240-S243 PolarHBondContact O-N 3.18Å; V240-S243 PolarHBondContact O-OG 3.35Å; S243-R245 VanDerWaalsContact C-N 3.34Å
244	E	84.8	Confident	89.5	Confident	155 Å²	155	75.9 Å²	75.9	72%	0.724	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.7	177.4	-69.2	-178.5	166.8	0	0	113.6	V240 L242	V240-E244 PolarHBondContact O-N 3.27Å; V240-E244 VanDerWaalsContact O-N 3.1Å; L242-E244 VanDerWaalsContact C-N 3.25Å; L242-E244 PolarHBondContact O-N 3.07Å
245	R	78.1	Confident	88.8	Confident	153 Å²	153	77.4 Å²	77.4	58%	0.577	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-18.8	-179	-69.2	-175.5	-168	165.6	19.9	113.9	E196 S241 L242 S243	E196-R245 IonicContact OE1-CZ 3Å; E196-R245 IonicContact OE1-NH1 3.39Å; E196-R245 PolarHBondContact OE1-NH1 3.41Å; E196-R245 IonicContact OE1-NH2 3.79Å; E196-R245 PolarHBondContact OE1-NH2 3.35Å; E196-R245 IonicContact OE2-CZ 3.69Å; E196-R245 IonicContact OE2-NH1 3.8Å; E196-R245 PolarHBondContact OE2-NH1 3.06Å; E196-R245 IonicContact OE2-NH2 3.35Å; E196-R245 PolarHBondContact OE2-NH2 3.23Å; S241-R245 WeakPolarHBondContact O-CG 3.24Å; S241-R245 PolarHBondContact OG-NH2 3.16Å; L242-R245 PolarHBondContact O-N 2.64Å; L242-R245 VanDerWaalsContact O-N 3.14Å; S243-R245 VanDerWaalsContact C-N 3.34Å
246	D	56.7	Low	88	Confident	197 Å²	197	84.1 Å²	84.1	100%	1.053	44%	0.442	S	S	*	.			trans	-81.8	0	173.6	-73.6	-26.6	0	0	0	111.1	L242	L242-D246 PolarHBondContact O-N 3.45Å

Retrieved 246 of 246 residues in 355.3 ms (Link to these results)

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