A0A5K4FBM4_SCHMA Loading...

Protein-tyrosine-phosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 189 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	68.6	Low	91.6	Very high	231 Å²	231	87.5 Å²	87.5	100%	1.138	41%	0.409	S	S	*	.				0	144.1	0	-71.5	-176.9	-176.5	0	0	108.6
2	P	83.2	Confident	92.1	Very high	36 Å²	36	81.1 Å²	81.1	23%	0.234	38%	0.378	C	S	.	.			trans	-61.9	149.8	173.8	24.1	-32.2	0	0	0	111.8	Y4 T70 Y72	P2-Y4 HydrophobicContact CB-CE2 4.37Å; P2-Y4 HydrophobicContact CG-CE2 3.79Å; P2-Y4 VanDerWaalsContact CG-OH 3.24Å; P2-Y4 WeakPolarHBondContact CG-OH 3.34Å; P2-Y4 WeakPolarHBondContact O-CD2 3.42Å; P2-Y4 WeakPolarHBondContact O-CE2 3.45Å; P2-T70 HydrophobicContact CB-CG2 4Å; P2-T70 HydrophobicContact CG-CG2 4.13Å; P2-Y72 HydrophobicContact CB-CD1 3.69Å; P2-Y72 HydrophobicContact CB-CE1 3.36Å; P2-Y72 HydrophobicContact CG-CD1 4.08Å; P2-Y72 HydrophobicContact CG-CE1 4.24Å
3	R	88.6	Confident	92.6	Very high	186 Å²	186	79.7 Å²	79.7	70%	0.702	38%	0.379	S	S	*	.			trans	-79.6	141.6	170.7	-172	-178.2	177	173.9	-1.6	109.7	P5	R3-P5 CarbonylContact O-C 3.42Å
4	Y	94.1	Very high	93	Very high	55 Å²	55	77.2 Å²	77.2	22%	0.216	37%	0.372	C	S	.	.	S	Bend	trans	-123.8	121.1	175.9	-61.7	-82.2	0	0	0	110.5	P2 I31 K35 Y72	P2-Y4 HydrophobicContact CB-CE2 4.37Å; P2-Y4 HydrophobicContact CG-CE2 3.79Å; P2-Y4 VanDerWaalsContact CG-OH 3.24Å; P2-Y4 WeakPolarHBondContact CG-OH 3.34Å; P2-Y4 WeakPolarHBondContact O-CD2 3.42Å; P2-Y4 WeakPolarHBondContact O-CE2 3.45Å; Y4-I31 HydrophobicContact CD1-CG2 3.85Å; Y4-K35 HydrophobicContact CD1-CB 3.84Å; Y4-K35 HydrophobicContact CD1-CG 4.28Å; Y4-K35 HydrophobicContact CD2-CB 4Å; Y4-K35 HydrophobicContact CD2-CD 3.99Å; Y4-K35 HydrophobicContact CD2-CG 3.97Å; Y4-K35 HydrophobicContact CE1-CB 4.21Å; Y4-K35 HydrophobicContact CE1-CG 4.2Å; Y4-K35 HydrophobicContact CE2-CB 4.38Å; Y4-K35 HydrophobicContact CE2-CD 3.99Å; Y4-K35 HydrophobicContact CE2-CG 3.9Å; Y4-K35 HydrophobicContact CG-CB 3.7Å; Y4-K35 HydrophobicContact CG-CG 4.15Å; Y4-Y72 HydrophobicContact CD1-CD1 4.41Å; Y4-Y72 AromaticContact CE1-CD1 3.71Å; Y4-Y72 HydrophobicContact CE1-CD1 3.71Å; Y4-Y72 PolarHBondContact OH-O 3.21Å
5	P	95.1	Very high	93.3	Very high	19 Å²	19	74.9 Å²	74.9	12%	0.123	36%	0.362	C	S	.	.	S	Bend	cis	-69.6	160.6	-13.3	32.7	-35.1	0	0	0	111.8	R3 W9 F10 I31 I39	R3-P5 CarbonylContact O-C 3.42Å; P5-W9 HydrophobicContact CB-CB 3.83Å; P5-W9 HydrophobicContact CB-CD2 3.89Å; P5-W9 HydrophobicContact CB-CE3 3.84Å; P5-W9 HydrophobicContact CB-CG 3.92Å; P5-W9 HydrophobicContact CG-CE3 4.44Å; P5-F10 HydrophobicContact CG-CD2 4.14Å; P5-F10 HydrophobicContact CG-CE2 3.48Å; P5-F10 VanDerWaalsContact CG-CE2 3.48Å; P5-F10 HydrophobicContact CG-CZ 3.79Å; P5-I31 HydrophobicContact CB-CD1 3.44Å; P5-I31 VanDerWaalsContact CB-CD1 3.44Å; P5-I39 HydrophobicContact CB-CD1 4.21Å; P5-I39 HydrophobicContact CG-CD1 4.41Å; P5-I39 HydrophobicContact CG-CG1 4.44Å
6	P	95	Very high	93.2	Very high	12 Å²	12	71.6 Å²	71.6	8%	0.078	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-57.9	160.3	167.5	-22.8	34.1	0	0	0	111.7	W9 L29 Y72 T125	P6-W9 WeakPolarHBondContact O-CB 3.35Å; P6-W9 PolarHBondContact O-N 3.45Å; P6-L29 HydrophobicContact CG-CD2 3.7Å; P6-Y72 HydrophobicContact CG-CE1 3.77Å; P6-T125 HydrophobicContact CB-CG2 3.49Å; P6-T125 VanDerWaalsContact CB-CG2 3.49Å; P6-T125 HydrophobicContact CG-CG2 3.84Å
7	D	94.6	Very high	93.5	Very high	117 Å²	117	71.6 Å²	71.6	63%	0.626	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	142	176.4	-169.9	36.7	0	0	0	111.7	W9 H126	D7-W9 PolarHBondContact O-N 3.11Å; D7-H126 PolarHBondContact O-NE2 2.87Å
8	R	95.7	Very high	93.7	Very high	110 Å²	110	69.7 Å²	69.7	42%	0.415	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	9	-175.7	-57.7	-164.6	-60.1	149.6	8	116.8	F10 D11 Y12 E163	R8-F10 PolarHBondContact O-N 3.5Å; R8-D11 WeakPolarHBondContact CA-OD2 3.4Å; R8-D11 WeakPolarHBondContact CB-OD2 3.27Å; R8-D11 WeakPolarHBondContact CG-OD2 3.43Å; R8-D11 WeakPolarHBondContact O-CB 3.17Å; R8-D11 PolarHBondContact O-N 3.27Å; R8-D11 VanDerWaalsContact O-N 3.09Å; R8-Y12 HydrophobicContact CB-CE2 4.28Å; R8-Y12 WeakPolarHBondContact O-CD2 3.24Å; R8-Y12 WeakPolarHBondContact O-CE2 3.47Å; R8-E163 IonicContact NH1-OE2 3.84Å; R8-E163 IonicContact NH2-OE2 3.37Å
9	W	97.5	Very high	94	Very high	1 Å²	1	66.1 Å²	66.1	0%	0.004	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-63.3	-26.6	-177.7	-178.7	91.3	0	0	0	114	P5 P6 D7 D11 K28 L29 I31 I39 L43 F45	P5-W9 HydrophobicContact CB-CB 3.83Å; P5-W9 HydrophobicContact CB-CD2 3.89Å; P5-W9 HydrophobicContact CB-CE3 3.84Å; P5-W9 HydrophobicContact CB-CG 3.92Å; P5-W9 HydrophobicContact CG-CE3 4.44Å; P6-W9 WeakPolarHBondContact O-CB 3.35Å; P6-W9 PolarHBondContact O-N 3.45Å; D7-W9 PolarHBondContact O-N 3.11Å; W9-D11 VanDerWaalsContact C-N 3.29Å; W9-K28 HydrophobicContact CD2-CD 4.22Å; W9-K28 HydrophobicContact CZ2-CD 4.05Å; W9-K28 HydrophobicContact CZ2-CG 4.37Å; W9-K28 PolarHBondContact O-NZ 3.23Å; W9-K28 VanDerWaalsContact O-NZ 3.09Å; W9-L29 PolarHBondContact NE1-O 3.42Å; W9-I31 HydrophobicContact CD2-CD1 3.8Å; W9-I31 VanDerWaalsContact CE2-CD1 3.49Å; W9-I31 HydrophobicContact CE3-CD1 4.23Å; W9-I31 HydrophobicContact CG-CD1 4.29Å; W9-I31 HydrophobicContact CH2-CD1 4.11Å; W9-I31 HydrophobicContact CZ2-CD1 3.65Å; W9-I31 HydrophobicContact CZ2-CG1 3.99Å; W9-I31 HydrophobicContact CZ3-CD1 4.38Å; W9-I39 HydrophobicContact CH2-CD1 4.48Å; W9-I39 HydrophobicContact CZ3-CD1 4.33Å; W9-I39 HydrophobicContact CZ3-CG2 4.26Å; W9-L43 WeakPolarHBondContact CH2-O 3.15Å; W9-L43 VanDerWaalsContact CZ3-O 3.27Å; W9-L43 WeakPolarHBondContact CZ3-O 3.34Å; W9-F45 HydrophobicContact CH2-CB 4.07Å; W9-F45 HydrophobicContact CZ2-CB 3.95Å
10	F	97.4	Very high	94.1	Very high	92 Å²	92	70.2 Å²	70.2	40%	0.404	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-71.4	-23.9	175.9	-72.9	-62.4	0	0	0	113.4	P5 R8 Y12 I39 L43	P5-F10 HydrophobicContact CG-CD2 4.14Å; P5-F10 HydrophobicContact CG-CE2 3.48Å; P5-F10 VanDerWaalsContact CG-CE2 3.48Å; P5-F10 HydrophobicContact CG-CZ 3.79Å; R8-F10 PolarHBondContact O-N 3.5Å; F10-Y12 PolarHBondContact O-N 3.31Å; F10-Y12 VanDerWaalsContact O-N 3.16Å; F10-I39 HydrophobicContact CE1-CG2 3.9Å; F10-I39 HydrophobicContact CZ-CG1 4.28Å; F10-I39 HydrophobicContact CZ-CG2 4.2Å; F10-L43 HydrophobicContact CD1-CB 4.2Å; F10-L43 HydrophobicContact CD1-CD1 3.84Å; F10-L43 HydrophobicContact CE1-CB 3.95Å; F10-L43 HydrophobicContact CE1-CD1 3.86Å
11	D	97.5	Very high	94.2	Very high	104 Å²	104	69.7 Å²	69.7	56%	0.556	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-71.6	-12.6	-174.7	-52.6	-11.5	0	0	0	112	R8 W9	R8-D11 WeakPolarHBondContact CA-OD2 3.4Å; R8-D11 WeakPolarHBondContact CB-OD2 3.27Å; R8-D11 WeakPolarHBondContact CG-OD2 3.43Å; R8-D11 WeakPolarHBondContact O-CB 3.17Å; R8-D11 PolarHBondContact O-N 3.27Å; R8-D11 VanDerWaalsContact O-N 3.09Å; W9-D11 VanDerWaalsContact C-N 3.29Å
12	Y	98.2	Very high	95.5	Very high	10 Å²	10	59 Å²	59	4%	0.039	31%	0.31	C	S	.	.	S	Bend	trans	-116.7	141.8	-174.9	-55.7	-82.9	0	0	0	111.9	R8 F10 K28 H126 V128 H160 E163	R8-Y12 HydrophobicContact CB-CE2 4.28Å; R8-Y12 WeakPolarHBondContact O-CD2 3.24Å; R8-Y12 WeakPolarHBondContact O-CE2 3.47Å; F10-Y12 PolarHBondContact O-N 3.31Å; F10-Y12 VanDerWaalsContact O-N 3.16Å; Y12-K28 VanDerWaalsContact O-CD 3.3Å; Y12-K28 WeakPolarHBondContact O-CD 3.3Å; Y12-K28 WeakPolarHBondContact O-CE 3.5Å; Y12-K28 PolarHBondContact O-NZ 2.98Å; Y12-H126 HydrophobicContact CD1-CB 4.47Å; Y12-H126 HydrophobicContact CD2-CB 3.64Å; Y12-H126 AromaticContact CD2-CD2 3.52Å; Y12-H126 AromaticContact CD2-CG 3.88Å; Y12-H126 HydrophobicContact CE1-CB 4.48Å; Y12-H126 HydrophobicContact CE2-CB 3.65Å; Y12-H126 AromaticContact CE2-CD2 3.32Å; Y12-H126 WeakPolarHBondContact CE2-CD2 3.46Å; Y12-H126 AromaticContact CE2-CG 3.59Å; Y12-H126 HydrophobicContact CG-CB 4.06Å; Y12-V128 HydrophobicContact CD1-CG2 3.51Å; Y12-V128 HydrophobicContact CE1-CB 4.36Å; Y12-V128 HydrophobicContact CE1-CG2 3.56Å; Y12-V128 HydrophobicContact CG-CG2 4.41Å; Y12-H160 HydrophobicContact CD1-CB 4.48Å; Y12-H160 AromaticContact CD1-CG 3.94Å; Y12-H160 AromaticContact CD1-ND1 3.67Å; Y12-E163 VanDerWaalsContact CE1-OE1 3.25Å; Y12-E163 WeakPolarHBondContact CE1-OE1 3.21Å; Y12-E163 VanDerWaalsContact OH-CD 3.24Å; Y12-E163 PolarHBondContact OH-OE1 3.41Å; Y12-E163 PolarHBondContact OH-OE2 2.83Å
13	T	97.8	Very high	96.2	Very high	63 Å²	63	61.2 Å²	61.2	39%	0.387	31%	0.314	S	S	.	.			trans	-66.5	150.2	174.6	53.7	0	0	0	0	110.9	L15 K28 R158 H160	T13-L15 PolarHBondContact O-N 3.1Å; T13-K28 WeakPolarHBondContact O-CD 3.15Å; T13-R158 PolarHBondContact O-NH1 2.89Å; T13-R158 PolarHBondContact O-NH2 3.41Å; T13-R158 PolarHBondContact OG1-NH1 3.2Å; T13-H160 PolarHBondContact N-NE2 3.1Å; T13-H160 PolarHBondContact OG1-CD2 3.08Å; T13-H160 PolarHBondContact OG1-NE2 3.16Å
14	P	98.1	Very high	96.7	Very high	45 Å²	45	52.4 Å²	52.4	29%	0.292	28%	0.281	S	S	.	.	S	Bend	trans	-49.8	-55.1	178.6	-33.5	40.4	0	0	0	115.3	I27 K28 F45	P14-I27 WeakPolarHBondContact O-CA 3.37Å; P14-K28 PolarHBondContact O-N 3.04Å; P14-F45 HydrophobicContact CB-CB 4.1Å; P14-F45 HydrophobicContact CB-CD1 4.13Å; P14-F45 HydrophobicContact CB-CD2 3.62Å; P14-F45 HydrophobicContact CB-CE1 4.43Å; P14-F45 HydrophobicContact CB-CE2 3.95Å; P14-F45 HydrophobicContact CB-CG 3.69Å; P14-F45 HydrophobicContact CB-CZ 4.33Å; P14-F45 HydrophobicContact CG-CB 4.28Å; P14-F45 HydrophobicContact CG-CD2 4.5Å; P14-F45 HydrophobicContact CG-CG 4.4Å; P14-F45 WeakPolarHBondContact O-CE1 3.22Å
15	L	97.5	Very high	96.9	Very high	42 Å²	42	50 Å²	50	22%	0.22	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-148.4	164.1	-179.9	57.9	147.3	0	0	0	108.7	T13 L25 I27 F45 C53	T13-L15 PolarHBondContact O-N 3.1Å; L15-L25 HydrophobicContact CB-CD1 4.5Å; L15-L25 HydrophobicContact CD1-CD1 4.4Å; L15-L25 HydrophobicContact CD1-CD2 4.11Å; L15-I27 HydrophobicContact CB-CB 4.2Å; L15-I27 HydrophobicContact CB-CG2 3.5Å; L15-F45 HydrophobicContact CD2-CD2 4.44Å; L15-F45 HydrophobicContact CD2-CE2 3.65Å; L15-F45 HydrophobicContact CD2-CZ 4.05Å; L15-C53 HydrophobicContact CD1-CB 4.18Å; L15-C53 HydrophobicContact CD2-CB 4.3Å
16	G	92.4	Very high	97.1	Very high	22 Å²	22	49.1 Å²	49.1	23%	0.227	27%	0.266	C	S	.	.			trans	-108.5	-131.4	164.5	0	0	0	0	0	110.9	A157	G16-A157 CarbonylContact C-O 3.55Å; G16-A157 WeakPolarHBondContact CA-O 3.2Å
17	V	97.6	Very high	97.2	Very high	72 Å²	72	48.5 Å²	48.5	44%	0.436	26%	0.262	S	S	.	.			trans	-115.3	162.7	175.1	-62.4	0	0	0	0	110.7	V19 Y156 A157	V17-V19 PolarHBondContact O-N 3.05Å; V17-Y156 HydrophobicContact CG2-CE1 4.49Å; V17-A157 HydrophobicContact CG2-CB 4.41Å; V17-A157 PolarHBondContact N-O 2.95Å
18	P	98.4	Very high	97.4	Very high	38 Å²	38	43.2 Å²	43.2	25%	0.247	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-58.1	136.4	172.5	-24.7	35.3	0	0	0	111.6	K20 L24 L25 I119	P18-K20 PolarHBondContact O-N 3.12Å; P18-L24 CarbonylContact C-O 3.54Å; P18-L24 VanDerWaalsContact CA-O 3.31Å; P18-L24 WeakPolarHBondContact CA-O 3.31Å; P18-L25 HydrophobicContact CG-CD1 4.49Å; P18-I119 HydrophobicContact CB-CD1 4.24Å; P18-I119 HydrophobicContact CG-CD1 3.71Å
19	V	98.5	Very high	97.5	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-60.2	131.1	176.4	178.8	0	0	0	0	109.2	V17 G21 T22 L24 P26 I135 L139 A157	V17-V19 PolarHBondContact O-N 3.05Å; V19-G21 PolarHBondContact O-N 3.33Å; V19-T22 HydrophobicContact CB-CG2 4.37Å; V19-T22 WeakPolarHBondContact CB-OG1 3.31Å; V19-T22 HydrophobicContact CG1-CG2 4.21Å; V19-T22 WeakPolarHBondContact O-CA 3.32Å; V19-T22 WeakPolarHBondContact O-CB 3.5Å; V19-T22 PolarHBondContact O-N 3.27Å; V19-T22 PolarHBondContact O-OG1 3.02Å; V19-L24 PolarHBondContact N-O 3.22Å; V19-P26 HydrophobicContact CG2-CG 4.46Å; V19-I135 HydrophobicContact CG2-CG2 3.97Å; V19-L139 HydrophobicContact CG1-CD1 3.97Å; V19-L139 HydrophobicContact CG1-CD2 4.07Å; V19-A157 HydrophobicContact CB-CB 4.15Å; V19-A157 HydrophobicContact CG2-CB 3.59Å
20	K	97	Very high	97.6	Very high	147 Å²	147	38 Å²	38	64%	0.639	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	135.8	-172.6	-173.3	-179	178.7	-176.5	0	112.1	P18 T22 E153	P18-K20 PolarHBondContact O-N 3.12Å; K20-T22 PolarHBondContact O-N 3.37Å; K20-E153 WeakPolarHBondContact CB-OE2 3.37Å
21	G	95.2	Very high	97.6	Very high	61 Å²	61	33.7 Å²	33.7	63%	0.629	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	3.3	-178.2	0	0	0	0	0	114.2	V19	V19-G21 PolarHBondContact O-N 3.33Å
22	T	96.2	Very high	97.5	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.031	17%	0.173	C	C	.	.	S	Bend	trans	-123.4	-172.1	177.1	85.8	0	0	0	0	110.9	V19 K20 L24 Y138 L139 M143	V19-T22 HydrophobicContact CB-CG2 4.37Å; V19-T22 WeakPolarHBondContact CB-OG1 3.31Å; V19-T22 HydrophobicContact CG1-CG2 4.21Å; V19-T22 WeakPolarHBondContact O-CA 3.32Å; V19-T22 WeakPolarHBondContact O-CB 3.5Å; V19-T22 PolarHBondContact O-N 3.27Å; V19-T22 PolarHBondContact O-OG1 3.02Å; K20-T22 PolarHBondContact O-N 3.37Å; T22-L24 PolarHBondContact OG1-N 3.13Å; T22-Y138 HydrophobicContact CG2-CE1 4.2Å; T22-L139 HydrophobicContact CG2-CD2 3.89Å; T22-M143 HydrophobicContact CG2-CE 4.34Å; T22-M143 HydrophobicContact CG2-SD 3.63Å
23	R	97.3	Very high	97.3	Very high	84 Å²	84	33 Å²	33	32%	0.317	20%	0.199	S	C	.	.			trans	-121.2	14.3	166.3	-59.5	-65.7	-177	-131.2	11.1	112.3	L25 P116 D117 G118 I119 I120	R23-L25 PolarHBondContact O-N 2.91Å; R23-P116 PolarHBondContact NE-O 3.31Å; R23-D117 IonicContact NH2-OD1 2.85Å; R23-D117 PolarHBondContact NH2-OD1 2.98Å; R23-G118 WeakPolarHBondContact CB-O 3.37Å; R23-I119 HydrophobicContact CB-CD1 4.35Å; R23-I120 PolarHBondContact O-N 2.92Å
24	L	98.8	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.5	-178.8	-65.1	169.8	0	0	0	109.5	P18 V19 T22 V108 I120 V122 I135 Y138	P18-L24 CarbonylContact C-O 3.54Å; P18-L24 VanDerWaalsContact CA-O 3.31Å; P18-L24 WeakPolarHBondContact CA-O 3.31Å; V19-L24 PolarHBondContact N-O 3.22Å; T22-L24 PolarHBondContact OG1-N 3.13Å; L24-V108 HydrophobicContact CD1-CG1 4.22Å; L24-V108 HydrophobicContact CD2-CB 4.44Å; L24-V108 HydrophobicContact CD2-CG1 3.84Å; L24-V108 HydrophobicContact CD2-CG2 3.68Å; L24-V108 HydrophobicContact CG-CG1 4.28Å; L24-I120 WeakPolarHBondContact CA-O 3.33Å; L24-I120 HydrophobicContact CD2-CB 4.06Å; L24-I120 HydrophobicContact CD2-CD1 4.5Å; L24-I120 HydrophobicContact CD2-CG2 3.93Å; L24-V122 HydrophobicContact CD2-CG2 3.77Å; L24-I135 HydrophobicContact CB-CD1 4.49Å; L24-I135 HydrophobicContact CD1-CG1 4.37Å; L24-Y138 HydrophobicContact CD1-CD1 3.72Å; L24-Y138 HydrophobicContact CD1-CE1 4.01Å; L24-Y138 HydrophobicContact CD1-CG 4.28Å
25	L	98.8	Very high	97.1	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	105.4	176.9	177.1	63.3	0	0	0	109.3	L15 P18 R23 I27 L50 V54 I119 I120 A121 V122	L15-L25 HydrophobicContact CB-CD1 4.5Å; L15-L25 HydrophobicContact CD1-CD1 4.4Å; L15-L25 HydrophobicContact CD1-CD2 4.11Å; P18-L25 HydrophobicContact CG-CD1 4.49Å; R23-L25 PolarHBondContact O-N 2.91Å; L25-I27 HydrophobicContact CD2-CG2 4.13Å; L25-I27 HydrophobicContact CG-CG2 3.77Å; L25-L50 HydrophobicContact CD2-CD1 4.19Å; L25-V54 HydrophobicContact CD2-CG2 3.8Å; L25-I119 HydrophobicContact CB-CG2 3.65Å; L25-I119 HydrophobicContact CD2-CG2 3.87Å; L25-I119 HydrophobicContact CG-CG2 4.42Å; L25-I120 PolarHBondContact N-O 3.37Å; L25-A121 CarbonylContact O-C 3.51Å; L25-A121 WeakPolarHBondContact O-CA 3.46Å; L25-V122 PolarHBondContact O-N 2.91Å
26	P	98.8	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.7	178.3	33.7	-36	0	0	0	110.5	V19 V122 T131 I135 F154 R158	V19-P26 HydrophobicContact CG2-CG 4.46Å; P26-V122 WeakPolarHBondContact CA-O 3.19Å; P26-T131 HydrophobicContact CB-CG2 3.7Å; P26-I135 HydrophobicContact CB-CD1 3.81Å; P26-I135 HydrophobicContact CG-CD1 4.46Å; P26-F154 HydrophobicContact CB-CE2 3.78Å; P26-F154 HydrophobicContact CG-CE2 4.17Å; P26-R158 HydrophobicContact CB-CB 4.39Å; P26-R158 HydrophobicContact CG-CB 3.88Å
27	I	98.8	Very high	97	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157.4	-176.6	71.3	172.8	0	0	0	111.2	P14 L15 L25 P30 F45 L50 A121 V122 H123 G127	P14-I27 WeakPolarHBondContact O-CA 3.37Å; L15-I27 HydrophobicContact CB-CB 4.2Å; L15-I27 HydrophobicContact CB-CG2 3.5Å; L25-I27 HydrophobicContact CD2-CG2 4.13Å; L25-I27 HydrophobicContact CG-CG2 3.77Å; I27-P30 HydrophobicContact CD1-CG 3.86Å; I27-F45 HydrophobicContact CB-CE1 4.19Å; I27-F45 HydrophobicContact CB-CZ 4.21Å; I27-F45 HydrophobicContact CD1-CE1 4.09Å; I27-F45 HydrophobicContact CD1-CZ 4.06Å; I27-F45 HydrophobicContact CG1-CE1 4.45Å; I27-L50 HydrophobicContact CD1-CD1 4.01Å; I27-L50 HydrophobicContact CD1-CD2 3.55Å; I27-L50 HydrophobicContact CD1-CG 4.35Å; I27-L50 HydrophobicContact CG2-CD1 4.12Å; I27-A121 HydrophobicContact CD1-CB 3.91Å; I27-A121 HydrophobicContact CG1-CB 4.48Å; I27-V122 PolarHBondContact N-O 3.48Å; I27-H123 HydrophobicContact CD1-CB 4.23Å; I27-H123 HydrophobicContact CG1-CB 3.5Å; I27-H123 WeakPolarHBondContact O-CA 3.42Å; I27-H123 VanDerWaalsContact O-CB 3.23Å; I27-H123 WeakPolarHBondContact O-CB 3.44Å; I27-G127 WeakPolarHBondContact O-CA 3.49Å
28	K	98.4	Very high	96.8	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.026	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-75.8	170.8	166.2	76	-176.6	178.4	171.4	0	110.8	W9 Y12 T13 P14 P30 F45 H126	W9-K28 HydrophobicContact CD2-CD 4.22Å; W9-K28 HydrophobicContact CZ2-CD 4.05Å; W9-K28 HydrophobicContact CZ2-CG 4.37Å; W9-K28 PolarHBondContact O-NZ 3.23Å; W9-K28 VanDerWaalsContact O-NZ 3.09Å; Y12-K28 VanDerWaalsContact O-CD 3.3Å; Y12-K28 WeakPolarHBondContact O-CD 3.3Å; Y12-K28 WeakPolarHBondContact O-CE 3.5Å; Y12-K28 PolarHBondContact O-NZ 2.98Å; T13-K28 WeakPolarHBondContact O-CD 3.15Å; P14-K28 PolarHBondContact O-N 3.04Å; K28-P30 WeakPolarHBondContact O-CD 3.42Å; K28-F45 HydrophobicContact CG-CD1 3.91Å; K28-F45 HydrophobicContact CG-CE1 4.29Å; K28-F45 WeakPolarHBondContact O-CE1 3.29Å; K28-H126 WeakPolarHBondContact CB-O 3.37Å
29	L	98.4	Very high	96.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-57.4	122	178.4	174.1	67.5	0	0	0	111.7	P6 W9 I31 Y72 Y73 T125	P6-L29 HydrophobicContact CG-CD2 3.7Å; W9-L29 PolarHBondContact NE1-O 3.42Å; L29-I31 HydrophobicContact CD2-CG1 4.49Å; L29-Y72 HydrophobicContact CD1-CD2 4.03Å; L29-Y72 HydrophobicContact CD1-CG 3.95Å; L29-Y72 HydrophobicContact CD2-CD1 3.47Å; L29-Y72 VanDerWaalsContact CD2-CD1 3.47Å; L29-Y72 HydrophobicContact CD2-CD2 3.86Å; L29-Y72 HydrophobicContact CD2-CE1 3.78Å; L29-Y72 HydrophobicContact CD2-CE2 4.15Å; L29-Y72 HydrophobicContact CD2-CG 3.51Å; L29-Y72 HydrophobicContact CG-CG 4.36Å; L29-Y73 HydrophobicContact CD1-CD1 4.15Å; L29-Y73 HydrophobicContact CD1-CE1 3.95Å; L29-T125 VanDerWaalsContact CB-O 3.28Å; L29-T125 WeakPolarHBondContact CB-O 3.49Å; L29-T125 PolarHBondContact N-O 3.42Å; L29-T125 VanDerWaalsContact N-O 3.09Å
30	P	98.4	Very high	96.5	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-69.7	127.4	165.5	-17.7	33.5	0	0	0	110	I27 K28 F45 L47	I27-P30 HydrophobicContact CD1-CG 3.86Å; K28-P30 WeakPolarHBondContact O-CD 3.42Å; P30-F45 CarbonylContact C-O 3.46Å; P30-F45 WeakPolarHBondContact CA-O 3.27Å; P30-F45 HydrophobicContact CB-CD1 4.42Å; P30-F45 HydrophobicContact CB-CE1 4.36Å; P30-F45 HydrophobicContact CG-CD1 4.42Å; P30-F45 HydrophobicContact CG-CE1 3.92Å; P30-L47 HydrophobicContact CB-CD2 3.72Å; P30-L47 HydrophobicContact CB-CG 4.04Å; P30-L47 HydrophobicContact CG-CD2 3.73Å
31	I	97.8	Very high	96.4	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-98	132.5	179.7	-64.9	176.7	0	0	0	108.6	Y4 P5 W9 L29 K35 S36 I39 F45 T46	Y4-I31 HydrophobicContact CD1-CG2 3.85Å; P5-I31 HydrophobicContact CB-CD1 3.44Å; P5-I31 VanDerWaalsContact CB-CD1 3.44Å; W9-I31 HydrophobicContact CD2-CD1 3.8Å; W9-I31 VanDerWaalsContact CE2-CD1 3.49Å; W9-I31 HydrophobicContact CE3-CD1 4.23Å; W9-I31 HydrophobicContact CG-CD1 4.29Å; W9-I31 HydrophobicContact CH2-CD1 4.11Å; W9-I31 HydrophobicContact CZ2-CD1 3.65Å; W9-I31 HydrophobicContact CZ2-CG1 3.99Å; W9-I31 HydrophobicContact CZ3-CD1 4.38Å; L29-I31 HydrophobicContact CD2-CG1 4.49Å; I31-K35 HydrophobicContact CG2-CB 3.97Å; I31-S36 WeakPolarHBondContact CG2-OG 3.48Å; I31-I39 HydrophobicContact CB-CD1 4.36Å; I31-I39 HydrophobicContact CD1-CD1 3.55Å; I31-I39 HydrophobicContact CG2-CD1 4.07Å; I31-F45 PolarHBondContact N-O 2.98Å; I31-T46 WeakPolarHBondContact O-CG2 3.44Å
32	P	96.1	Very high	96.4	Very high	16 Å²	16	47.6 Å²	47.6	10%	0.104	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-56.7	146.3	176.7	-24.1	31.9	0	0	0	113	E34 K35 S36 Y72	P32-E34 VanDerWaalsContact C-N 3.28Å; P32-E34 HydrophobicContact CB-CG 4.41Å; P32-E34 VanDerWaalsContact CB-OE1 3.26Å; P32-E34 WeakPolarHBondContact CB-OE1 3.35Å; P32-E34 WeakPolarHBondContact CB-OE2 3.15Å; P32-E34 PolarHBondContact O-N 3.31Å; P32-K35 HydrophobicContact CB-CB 4.31Å; P32-K35 HydrophobicContact CB-CG 4.15Å; P32-K35 HydrophobicContact CG-CG 4.27Å; P32-K35 CarbonylContact O-C 3.44Å; P32-K35 WeakPolarHBondContact O-CA 3.25Å; P32-K35 PolarHBondContact O-N 2.97Å; P32-S36 PolarHBondContact O-N 3.15Å; P32-S36 VanDerWaalsContact O-N 3.13Å; P32-S36 PolarHBondContact O-OG 3.48Å; P32-Y72 WeakPolarHBondContact CG-O 3.36Å
33	S	94.2	Very high	96.4	Very high	83 Å²	83	50.5 Å²	50.5	58%	0.58	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-59	-40.2	-178.7	-56.6	0	0	0	0	111.9	K35 S36	S33-K35 PolarHBondContact O-N 3.23Å; S33-S36 WeakPolarHBondContact O-CB 3.39Å; S33-S36 PolarHBondContact O-N 3.31Å
34	E	94.8	Very high	96.4	Very high	132 Å²	132	51 Å²	51	62%	0.617	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-68	-13.3	176	74.3	-79.5	-171.5	0	0	113.8	P32	P32-E34 VanDerWaalsContact C-N 3.28Å; P32-E34 HydrophobicContact CB-CG 4.41Å; P32-E34 VanDerWaalsContact CB-OE1 3.26Å; P32-E34 WeakPolarHBondContact CB-OE1 3.35Å; P32-E34 WeakPolarHBondContact CB-OE2 3.15Å; P32-E34 PolarHBondContact O-N 3.31Å
35	K	95.2	Very high	96.3	Very high	84 Å²	84	51.1 Å²	51.1	37%	0.365	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-106.2	3.6	173.9	-58.3	-56.6	-178.6	-170.6	0	113.1	Y4 I31 P32 S33	Y4-K35 HydrophobicContact CD1-CB 3.84Å; Y4-K35 HydrophobicContact CD1-CG 4.28Å; Y4-K35 HydrophobicContact CD2-CB 4Å; Y4-K35 HydrophobicContact CD2-CD 3.99Å; Y4-K35 HydrophobicContact CD2-CG 3.97Å; Y4-K35 HydrophobicContact CE1-CB 4.21Å; Y4-K35 HydrophobicContact CE1-CG 4.2Å; Y4-K35 HydrophobicContact CE2-CB 4.38Å; Y4-K35 HydrophobicContact CE2-CD 3.99Å; Y4-K35 HydrophobicContact CE2-CG 3.9Å; Y4-K35 HydrophobicContact CG-CB 3.7Å; Y4-K35 HydrophobicContact CG-CG 4.15Å; I31-K35 HydrophobicContact CG2-CB 3.97Å; P32-K35 HydrophobicContact CB-CB 4.31Å; P32-K35 HydrophobicContact CB-CG 4.15Å; P32-K35 HydrophobicContact CG-CG 4.27Å; P32-K35 CarbonylContact O-C 3.44Å; P32-K35 WeakPolarHBondContact O-CA 3.25Å; P32-K35 PolarHBondContact O-N 2.97Å; S33-K35 PolarHBondContact O-N 3.23Å
36	S	94.9	Very high	96.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	26%	0.258	C	S	.	.			trans	-101.1	9.8	-175	-63.5	0	0	0	0	114.3	I31 P32 S33 N38 I39 R44	I31-S36 WeakPolarHBondContact CG2-OG 3.48Å; P32-S36 PolarHBondContact O-N 3.15Å; P32-S36 VanDerWaalsContact O-N 3.13Å; P32-S36 PolarHBondContact O-OG 3.48Å; S33-S36 WeakPolarHBondContact O-CB 3.39Å; S33-S36 PolarHBondContact O-N 3.31Å; S36-N38 VanDerWaalsContact C-N 3.35Å; S36-N38 PolarHBondContact O-N 3.18Å; S36-I39 WeakPolarHBondContact O-CB 3.43Å; S36-I39 PolarHBondContact O-N 2.74Å; S36-R44 PolarHBondContact O-NE 3.42Å; S36-R44 VanDerWaalsContact O-NE 3.14Å; S36-R44 PolarHBondContact O-NH2 3.43Å
37	Y	93.3	Very high	96.3	Very high	163 Å²	163	52.1 Å²	52.1	64%	0.639	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-39.5	-175	63.5	-85.2	0	0	0	113.5	I39	Y37-I39 VanDerWaalsContact C-N 3.3Å; Y37-I39 PolarHBondContact O-N 3.35Å
38	N	92.8	Very high	96.2	Very high	110 Å²	110	54.4 Å²	54.4	59%	0.588	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.4	176.3	-72.4	-23.5	0	0	0	114	S36	S36-N38 VanDerWaalsContact C-N 3.35Å; S36-N38 PolarHBondContact O-N 3.18Å
39	I	96.5	Very high	96.2	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	29%	0.291	C	S	.	.	S	Bend	trans	-93.6	123.8	-179.4	-58.9	179.1	0	0	0	108	P5 W9 F10 I31 S36 Y37 L43 R44	P5-I39 HydrophobicContact CB-CD1 4.21Å; P5-I39 HydrophobicContact CG-CD1 4.41Å; P5-I39 HydrophobicContact CG-CG1 4.44Å; W9-I39 HydrophobicContact CH2-CD1 4.48Å; W9-I39 HydrophobicContact CZ3-CD1 4.33Å; W9-I39 HydrophobicContact CZ3-CG2 4.26Å; F10-I39 HydrophobicContact CE1-CG2 3.9Å; F10-I39 HydrophobicContact CZ-CG1 4.28Å; F10-I39 HydrophobicContact CZ-CG2 4.2Å; I31-I39 HydrophobicContact CB-CD1 4.36Å; I31-I39 HydrophobicContact CD1-CD1 3.55Å; I31-I39 HydrophobicContact CG2-CD1 4.07Å; S36-I39 WeakPolarHBondContact O-CB 3.43Å; S36-I39 PolarHBondContact O-N 2.74Å; Y37-I39 VanDerWaalsContact C-N 3.3Å; Y37-I39 PolarHBondContact O-N 3.35Å; I39-L43 HydrophobicContact CG2-CB 4.24Å; I39-R44 HydrophobicContact CB-CG 3.94Å; I39-R44 HydrophobicContact CG2-CB 4.36Å; I39-R44 HydrophobicContact CG2-CG 3.58Å; I39-R44 PolarHBondContact O-NE 3.38Å; I39-R44 PolarHBondContact O-NH2 3.3Å; I39-R44 VanDerWaalsContact O-NH2 3.13Å
40	P	95.4	Very high	96.2	Very high	52 Å²	52	56.8 Å²	56.8	34%	0.338	29%	0.291	S	S	.	.			trans	-54.2	136.6	174.1	-26.9	35.5	0	0	0	111.1	H42 L43 R44	P40-H42 VanDerWaalsContact C-N 3.3Å; P40-H42 PolarHBondContact O-N 3.25Å; P40-H42 VanDerWaalsContact O-N 3.14Å; P40-L43 HydrophobicContact CB-CD1 4.34Å; P40-L43 HydrophobicContact CB-CG 4.43Å; P40-L43 HydrophobicContact CG-CD1 4.17Å; P40-L43 PolarHBondContact O-N 2.93Å; P40-R44 PolarHBondContact O-N 3.43Å
41	P	94.5	Very high	96.2	Very high	96 Å²	96	57.2 Å²	57.2	62%	0.623	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-50.8	-43.2	-172.5	-31.1	35.8	0	0	0	115.1	L43 R44	P41-L43 PolarHBondContact O-N 2.96Å; P41-R44 WeakPolarHBondContact O-CB 3.37Å; P41-R44 PolarHBondContact O-N 3.1Å; P41-R44 VanDerWaalsContact O-N 3.16Å
42	H	94.6	Very high	96.2	Very high	157 Å²	157	61.1 Å²	61.1	73%	0.727	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-70.5	-10.4	-179.7	68	-85.1	0	0	0	114.5	P40	P40-H42 VanDerWaalsContact C-N 3.3Å; P40-H42 PolarHBondContact O-N 3.25Å; P40-H42 VanDerWaalsContact O-N 3.14Å
43	L	96.3	Very high	96.3	Very high	67 Å²	67	62.7 Å²	62.7	35%	0.351	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-106.8	-2.5	175.3	-59.2	179.5	0	0	0	112.5	W9 F10 I39 P40 P41	W9-L43 WeakPolarHBondContact CH2-O 3.15Å; W9-L43 VanDerWaalsContact CZ3-O 3.27Å; W9-L43 WeakPolarHBondContact CZ3-O 3.34Å; F10-L43 HydrophobicContact CD1-CB 4.2Å; F10-L43 HydrophobicContact CD1-CD1 3.84Å; F10-L43 HydrophobicContact CE1-CB 3.95Å; F10-L43 HydrophobicContact CE1-CD1 3.86Å; I39-L43 HydrophobicContact CG2-CB 4.24Å; P40-L43 HydrophobicContact CB-CD1 4.34Å; P40-L43 HydrophobicContact CB-CG 4.43Å; P40-L43 HydrophobicContact CG-CD1 4.17Å; P40-L43 PolarHBondContact O-N 2.93Å; P41-L43 PolarHBondContact O-N 2.96Å
44	R	97.3	Very high	96.5	Very high	95 Å²	95	58.9 Å²	58.9	36%	0.358	30%	0.298	S	S	.	.			trans	-68	149.4	178.8	-70.1	-179.8	-174.9	163.1	0.5	110.4	S36 I39 P40 P41	S36-R44 PolarHBondContact O-NE 3.42Å; S36-R44 VanDerWaalsContact O-NE 3.14Å; S36-R44 PolarHBondContact O-NH2 3.43Å; I39-R44 HydrophobicContact CB-CG 3.94Å; I39-R44 HydrophobicContact CG2-CB 4.36Å; I39-R44 HydrophobicContact CG2-CG 3.58Å; I39-R44 PolarHBondContact O-NE 3.38Å; I39-R44 PolarHBondContact O-NH2 3.3Å; I39-R44 VanDerWaalsContact O-NH2 3.13Å; P40-R44 PolarHBondContact O-N 3.43Å; P41-R44 WeakPolarHBondContact O-CB 3.37Å; P41-R44 PolarHBondContact O-N 3.1Å; P41-R44 VanDerWaalsContact O-N 3.16Å
45	F	98.3	Very high	96.6	Very high	2 Å²	2	58 Å²	58	1%	0.009	29%	0.294	C	S	.	.			trans	-152.4	107.6	172.3	178.6	-123.5	0	0	0	108.5	W9 P14 L15 I27 K28 P30 I31 D49 L50	W9-F45 HydrophobicContact CH2-CB 4.07Å; W9-F45 HydrophobicContact CZ2-CB 3.95Å; P14-F45 HydrophobicContact CB-CB 4.1Å; P14-F45 HydrophobicContact CB-CD1 4.13Å; P14-F45 HydrophobicContact CB-CD2 3.62Å; P14-F45 HydrophobicContact CB-CE1 4.43Å; P14-F45 HydrophobicContact CB-CE2 3.95Å; P14-F45 HydrophobicContact CB-CG 3.69Å; P14-F45 HydrophobicContact CB-CZ 4.33Å; P14-F45 HydrophobicContact CG-CB 4.28Å; P14-F45 HydrophobicContact CG-CD2 4.5Å; P14-F45 HydrophobicContact CG-CG 4.4Å; P14-F45 WeakPolarHBondContact O-CE1 3.22Å; L15-F45 HydrophobicContact CD2-CD2 4.44Å; L15-F45 HydrophobicContact CD2-CE2 3.65Å; L15-F45 HydrophobicContact CD2-CZ 4.05Å; I27-F45 HydrophobicContact CB-CE1 4.19Å; I27-F45 HydrophobicContact CB-CZ 4.21Å; I27-F45 HydrophobicContact CD1-CE1 4.09Å; I27-F45 HydrophobicContact CD1-CZ 4.06Å; I27-F45 HydrophobicContact CG1-CE1 4.45Å; K28-F45 HydrophobicContact CG-CD1 3.91Å; K28-F45 HydrophobicContact CG-CE1 4.29Å; K28-F45 WeakPolarHBondContact O-CE1 3.29Å; P30-F45 CarbonylContact C-O 3.46Å; P30-F45 WeakPolarHBondContact CA-O 3.27Å; P30-F45 HydrophobicContact CB-CD1 4.42Å; P30-F45 HydrophobicContact CB-CE1 4.36Å; P30-F45 HydrophobicContact CG-CD1 4.42Å; P30-F45 HydrophobicContact CG-CE1 3.92Å; I31-F45 PolarHBondContact N-O 2.98Å; F45-D49 HydrophobicContact CD2-CB 4.06Å; F45-L50 HydrophobicContact CE2-CB 3.86Å; F45-L50 HydrophobicContact CE2-CD1 4.46Å; F45-L50 HydrophobicContact CZ-CB 3.94Å; F45-L50 HydrophobicContact CZ-CD1 4.08Å; F45-L50 HydrophobicContact CZ-CG 4.46Å
46	T	97.8	Very high	96.7	Very high	10 Å²	10	58.4 Å²	58.4	6%	0.061	31%	0.307	C	S	.	.			trans	-112.2	175.2	-178.2	70.4	0	0	0	0	109.8	I31 S48 D49 L50	I31-T46 WeakPolarHBondContact O-CG2 3.44Å; T46-S48 VanDerWaalsContact C-N 3.25Å; T46-S48 PolarHBondContact O-N 3.04Å; T46-S48 PolarHBondContact OG1-N 3.46Å; T46-D49 WeakPolarHBondContact CA-OD2 3.44Å; T46-D49 VanDerWaalsContact CB-OD2 3.28Å; T46-D49 WeakPolarHBondContact CB-OD2 3.41Å; T46-D49 VanDerWaalsContact CG2-OD2 3.32Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.27Å; T46-D49 PolarHBondContact N-OD2 2.97Å; T46-D49 PolarHBondContact O-N 3.12Å; T46-D49 VanDerWaalsContact OG1-CG 3.23Å; T46-D49 PolarHBondContact OG1-N 3.26Å; T46-D49 VanDerWaalsContact OG1-N 3.16Å; T46-D49 PolarHBondContact OG1-OD2 2.89Å; T46-L50 PolarHBondContact O-N 3.29Å; T46-L50 VanDerWaalsContact O-N 3.08Å
47	L	98.3	Very high	96.7	Very high	16 Å²	16	62.3 Å²	62.3	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-66	-29.2	171.7	-67.8	175.5	0	0	0	112.5	P30 L50 I51 Y73 F77 L78	P30-L47 HydrophobicContact CB-CD2 3.72Å; P30-L47 HydrophobicContact CB-CG 4.04Å; P30-L47 HydrophobicContact CG-CD2 3.73Å; L47-L50 HydrophobicContact CD2-CD2 4.43Å; L47-I51 WeakPolarHBondContact O-CG1 3.46Å; L47-I51 PolarHBondContact O-N 3.45Å; L47-I51 VanDerWaalsContact O-N 3.11Å; L47-Y73 HydrophobicContact CD1-CD2 3.94Å; L47-Y73 HydrophobicContact CD1-CE2 4.11Å; L47-Y73 HydrophobicContact CD1-CG 4.44Å; L47-F77 HydrophobicContact CB-CD1 3.56Å; L47-F77 HydrophobicContact CB-CE1 3.66Å; L47-F77 HydrophobicContact CD1-CD1 4.08Å; L47-F77 HydrophobicContact CG-CD1 4.49Å; L47-L78 HydrophobicContact CD1-CD1 4.32Å; L47-L78 HydrophobicContact CD1-CD2 3.97Å; L47-L78 HydrophobicContact CD1-CG 3.9Å; L47-L78 HydrophobicContact CD2-CD2 4.07Å; L47-L78 HydrophobicContact CG-CD2 4.45Å
48	S	97.4	Very high	96.9	Very high	48 Å²	48	62 Å²	62	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-66.3	-48.7	173.9	-163.6	0	0	0	0	110.1	T46 L50 I51 D52	T46-S48 VanDerWaalsContact C-N 3.25Å; T46-S48 PolarHBondContact O-N 3.04Å; T46-S48 PolarHBondContact OG1-N 3.46Å; S48-L50 PolarHBondContact O-N 2.92Å; S48-I51 PolarHBondContact O-N 3.12Å; S48-D52 VanDerWaalsContact O-CG 3.27Å; S48-D52 PolarHBondContact O-N 2.85Å
49	D	97.8	Very high	97.1	Very high	55 Å²	55	59.8 Å²	59.8	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-58.5	-39.5	178.5	-54.8	-53.3	0	0	0	111.2	F45 T46 D52 C53	F45-D49 HydrophobicContact CD2-CB 4.06Å; T46-D49 WeakPolarHBondContact CA-OD2 3.44Å; T46-D49 VanDerWaalsContact CB-OD2 3.28Å; T46-D49 WeakPolarHBondContact CB-OD2 3.41Å; T46-D49 VanDerWaalsContact CG2-OD2 3.32Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.27Å; T46-D49 PolarHBondContact N-OD2 2.97Å; T46-D49 PolarHBondContact O-N 3.12Å; T46-D49 VanDerWaalsContact OG1-CG 3.23Å; T46-D49 PolarHBondContact OG1-N 3.26Å; T46-D49 VanDerWaalsContact OG1-N 3.16Å; T46-D49 PolarHBondContact OG1-OD2 2.89Å; D49-D52 PolarHBondContact O-N 3.26Å; D49-C53 VanDerWaalsContact O-CB 3.3Å; D49-C53 WeakPolarHBondContact O-CB 3.3Å; D49-C53 PolarHBondContact O-N 3.01Å; D49-C53 PolarHBondContact O-SG 2.87Å
50	L	98.5	Very high	97.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-47.6	174.5	173.8	63.8	0	0	0	112.2	L25 I27 F45 T46 L47 S48 V54 L61 V64 A121	L25-L50 HydrophobicContact CD2-CD1 4.19Å; I27-L50 HydrophobicContact CD1-CD1 4.01Å; I27-L50 HydrophobicContact CD1-CD2 3.55Å; I27-L50 HydrophobicContact CD1-CG 4.35Å; I27-L50 HydrophobicContact CG2-CD1 4.12Å; F45-L50 HydrophobicContact CE2-CB 3.86Å; F45-L50 HydrophobicContact CE2-CD1 4.46Å; F45-L50 HydrophobicContact CZ-CB 3.94Å; F45-L50 HydrophobicContact CZ-CD1 4.08Å; F45-L50 HydrophobicContact CZ-CG 4.46Å; T46-L50 PolarHBondContact O-N 3.29Å; T46-L50 VanDerWaalsContact O-N 3.08Å; L47-L50 HydrophobicContact CD2-CD2 4.43Å; S48-L50 PolarHBondContact O-N 2.92Å; L50-V54 HydrophobicContact CD1-CG2 4.14Å; L50-V54 VanDerWaalsContact O-CG2 3.3Å; L50-V54 WeakPolarHBondContact O-CG2 3.13Å; L50-V54 PolarHBondContact O-N 3Å; L50-L61 HydrophobicContact CD2-CD2 3.61Å; L50-L61 HydrophobicContact CG-CD2 3.81Å; L50-V64 HydrophobicContact CD2-CG2 4.48Å; L50-A121 HydrophobicContact CD2-CB 4.01Å
51	I	98.3	Very high	97.3	Very high	11 Å²	11	64 Å²	64	6%	0.056	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-48	178.5	-69.9	171.9	0	0	0	110	L47 S48 C53 V54 Q55 L61 F77 N81 I83	L47-I51 WeakPolarHBondContact O-CG1 3.46Å; L47-I51 PolarHBondContact O-N 3.45Å; L47-I51 VanDerWaalsContact O-N 3.11Å; S48-I51 PolarHBondContact O-N 3.12Å; I51-C53 PolarHBondContact O-N 3.46Å; I51-V54 PolarHBondContact O-N 3.43Å; I51-Q55 HydrophobicContact CG2-CG 4.18Å; I51-Q55 WeakPolarHBondContact O-CB 3.4Å; I51-Q55 VanDerWaalsContact O-CG 3.3Å; I51-Q55 WeakPolarHBondContact O-CG 3.39Å; I51-Q55 PolarHBondContact O-N 3.27Å; I51-L61 HydrophobicContact CG1-CD2 3.94Å; I51-F77 HydrophobicContact CD1-CD1 4.49Å; I51-F77 HydrophobicContact CD1-CE1 3.59Å; I51-F77 HydrophobicContact CD1-CZ 4.12Å; I51-N81 HydrophobicContact CD1-CB 4.2Å; I51-I83 HydrophobicContact CD1-CD1 3.57Å; I51-I83 HydrophobicContact CG1-CD1 3.83Å
52	D	98	Very high	97.5	Very high	82 Å²	82	60 Å²	60	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-44.3	-178.6	-65	-26.6	0	0	0	111.1	S48 D49 Q55 S56	S48-D52 VanDerWaalsContact O-CG 3.27Å; S48-D52 PolarHBondContact O-N 2.85Å; D49-D52 PolarHBondContact O-N 3.26Å; D52-Q55 PolarHBondContact O-N 3.45Å; D52-S56 WeakPolarHBondContact O-CB 3.43Å; D52-S56 PolarHBondContact O-N 2.95Å
53	C	97.6	Very high	97.7	Very high	49 Å²	49	52.5 Å²	52.5	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-50.4	174.2	-75.7	0	0	0	0	111.7	L15 D49 I51 Q55 S56 C57	L15-C53 HydrophobicContact CD1-CB 4.18Å; L15-C53 HydrophobicContact CD2-CB 4.3Å; D49-C53 VanDerWaalsContact O-CB 3.3Å; D49-C53 WeakPolarHBondContact O-CB 3.3Å; D49-C53 PolarHBondContact O-N 3.01Å; D49-C53 PolarHBondContact O-SG 2.87Å; I51-C53 PolarHBondContact O-N 3.46Å; C53-Q55 VanDerWaalsContact C-N 3.34Å; C53-Q55 PolarHBondContact O-N 2.81Å; C53-S56 PolarHBondContact O-N 3.22Å; C53-S56 PolarHBondContact O-OG 3.44Å; C53-C57 PolarHBondContact O-N 2.9Å
54	V	98.3	Very high	97.8	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-40.8	-179.4	173.1	0	0	0	0	111.3	L25 L50 I51 C57 Q59 L61 I119	L25-V54 HydrophobicContact CD2-CG2 3.8Å; L50-V54 HydrophobicContact CD1-CG2 4.14Å; L50-V54 VanDerWaalsContact O-CG2 3.3Å; L50-V54 WeakPolarHBondContact O-CG2 3.13Å; L50-V54 PolarHBondContact O-N 3Å; I51-V54 PolarHBondContact O-N 3.43Å; V54-C57 PolarHBondContact O-N 2.99Å; V54-Q59 CarbonylContact C-O 3.27Å; V54-Q59 HydrophobicContact CG1-CB 3.8Å; V54-Q59 PolarHBondContact O-N 2.87Å; V54-Q59 VanDerWaalsContact O-N 3.14Å; V54-L61 HydrophobicContact CB-CB 4.43Å; V54-L61 HydrophobicContact CG1-CB 4.14Å; V54-I119 HydrophobicContact CG1-CB 4.14Å; V54-I119 HydrophobicContact CG1-CG1 4.02Å; V54-I119 HydrophobicContact CG1-CG2 4.49Å; V54-I119 HydrophobicContact CG2-CG2 4.37Å
55	Q	97.4	Very high	97.9	Very high	112 Å²	112	44.8 Å²	44.8	52%	0.523	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-38	177	-74.6	178.6	-9.4	0	0	112.6	I51 D52 C53 C57 N58 Q59	I51-Q55 HydrophobicContact CG2-CG 4.18Å; I51-Q55 WeakPolarHBondContact O-CB 3.4Å; I51-Q55 VanDerWaalsContact O-CG 3.3Å; I51-Q55 WeakPolarHBondContact O-CG 3.39Å; I51-Q55 PolarHBondContact O-N 3.27Å; D52-Q55 PolarHBondContact O-N 3.45Å; C53-Q55 VanDerWaalsContact C-N 3.34Å; C53-Q55 PolarHBondContact O-N 2.81Å; Q55-C57 PolarHBondContact O-N 3.31Å; Q55-C57 VanDerWaalsContact O-N 3.16Å; Q55-N58 WeakPolarHBondContact O-CA 3.5Å; Q55-N58 PolarHBondContact O-N 3.2Å; Q55-Q59 WeakPolarHBondContact CA-O 3.46Å
56	S	97.5	Very high	97.9	Very high	93 Å²	93	44.8 Å²	44.8	65%	0.65	25%	0.248	S	C	*	.	H	α-helix	trans	-62.2	-21.5	176.7	77.6	0	0	0	0	113.4	D52 C53 N58	D52-S56 WeakPolarHBondContact O-CB 3.43Å; D52-S56 PolarHBondContact O-N 2.95Å; C53-S56 PolarHBondContact O-N 3.22Å; C53-S56 PolarHBondContact O-OG 3.44Å; S56-N58 VanDerWaalsContact C-N 3.29Å
57	C	95.7	Very high	98	Very high	84 Å²	84	44.3 Å²	44.3	57%	0.568	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	12.4	173.2	-62.2	0	0	0	0	113	C53 V54 Q55 Q59	C53-C57 PolarHBondContact O-N 2.9Å; V54-C57 PolarHBondContact O-N 2.99Å; Q55-C57 PolarHBondContact O-N 3.31Å; Q55-C57 VanDerWaalsContact O-N 3.16Å; C57-Q59 HydrophobicContact CB-CG 4.27Å; C57-Q59 WeakPolarHBondContact O-CG 3.46Å; C57-Q59 PolarHBondContact O-N 3.21Å
58	N	96.5	Very high	97.9	Very high	157 Å²	157	43.6 Å²	43.6	84%	0.84	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.9	-172.4	-65.2	-7.1	0	0	0	113.2	Q55 S56	Q55-N58 WeakPolarHBondContact O-CA 3.5Å; Q55-N58 PolarHBondContact O-N 3.2Å; S56-N58 VanDerWaalsContact C-N 3.29Å
59	Q	97.4	Very high	97.6	Very high	64 Å²	64	48.6 Å²	48.6	30%	0.299	25%	0.254	S	S	.	.			trans	-114.8	165.1	176	-56.3	-168.8	-71.6	0	0	110.2	V54 Q55 C57 I119	V54-Q59 CarbonylContact C-O 3.27Å; V54-Q59 HydrophobicContact CG1-CB 3.8Å; V54-Q59 PolarHBondContact O-N 2.87Å; V54-Q59 VanDerWaalsContact O-N 3.14Å; Q55-Q59 WeakPolarHBondContact CA-O 3.46Å; C57-Q59 HydrophobicContact CB-CG 4.27Å; C57-Q59 WeakPolarHBondContact O-CG 3.46Å; C57-Q59 PolarHBondContact O-N 3.21Å; Q59-I119 HydrophobicContact CB-CG1 3.9Å
60	K	97.8	Very high	97.3	Very high	134 Å²	134	48.9 Å²	48.9	58%	0.583	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.3	177.2	-177	177.9	178.1	-177	0	109.8	T62 I119	K60-T62 HydrophobicContact CD-CG2 4.23Å; K60-T62 HydrophobicContact CG-CG2 4.09Å; K60-T62 PolarHBondContact O-N 3.18Å; K60-I119 PolarHBondContact O-N 2.91Å
61	L	98.7	Very high	97	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.9	167.3	-176.1	66	0	0	0	108.5	L50 I51 V54 C63 V64 I83 I119 A121	L50-L61 HydrophobicContact CD2-CD2 3.61Å; L50-L61 HydrophobicContact CG-CD2 3.81Å; I51-L61 HydrophobicContact CG1-CD2 3.94Å; V54-L61 HydrophobicContact CB-CB 4.43Å; V54-L61 HydrophobicContact CG1-CB 4.14Å; L61-C63 WeakPolarHBondContact CD1-O 3.41Å; L61-V64 HydrophobicContact CD2-CG2 4.15Å; L61-I83 HydrophobicContact CB-CD1 4.27Å; L61-I83 HydrophobicContact CD2-CD1 3.88Å; L61-I83 HydrophobicContact CD2-CG2 4.45Å; L61-I83 HydrophobicContact CG-CD1 4.07Å; L61-I83 HydrophobicContact CG-CG2 4.18Å; L61-I119 HydrophobicContact CD1-CB 4.48Å; L61-I119 HydrophobicContact CD1-CG2 4.05Å; L61-A121 HydrophobicContact CD1-CB 3.68Å
62	T	98.6	Very high	96.8	Very high	13 Å²	13	56 Å²	56	8%	0.08	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-23	-179.8	55.4	0	0	0	0	112.8	K60 I83 S84 G118 I119	K60-T62 HydrophobicContact CD-CG2 4.23Å; K60-T62 HydrophobicContact CG-CG2 4.09Å; K60-T62 PolarHBondContact O-N 3.18Å; T62-I83 WeakPolarHBondContact O-CA 3.44Å; T62-S84 PolarHBondContact O-N 2.87Å; T62-S84 PolarHBondContact O-OG 3.33Å; T62-G118 WeakPolarHBondContact OG1-CA 3.34Å; T62-I119 PolarHBondContact N-O 2.63Å; T62-I119 PolarHBondContact OG1-O 2.92Å
63	C	98.8	Very high	96.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.8	-177.7	177.7	0	0	0	0	112.3	L61 S84 E111 I119 I120 A121	L61-C63 WeakPolarHBondContact CD1-O 3.41Å; C63-S84 CarbonylContact C-O 3.55Å; C63-S84 WeakPolarHBondContact CA-O 3.49Å; C63-S84 WeakPolarHBondContact CA-OG 3.45Å; C63-S84 WeakPolarHBondContact CB-OG 3.39Å; C63-S84 PolarHBondContact SG-OG 3.14Å; C63-S84 VanDerWaalsContact SG-OG 3.34Å; C63-E111 HydrophobicContact CB-CB 4.49Å; C63-E111 HydrophobicContact CB-CG 4.32Å; C63-I119 PolarHBondContact N-O 3.06Å; C63-I120 HydrophobicContact CB-CB 4.33Å; C63-I120 HydrophobicContact CB-CG1 4.06Å; C63-I120 HydrophobicContact CB-CG2 4.07Å; C63-A121 PolarHBondContact O-N 2.97Å
64	V	98.8	Very high	96.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.2	165.5	-179.1	0	0	0	0	109.9	L50 L61 Y73 L78 I83 S84 Y85 H86 A121	L50-V64 HydrophobicContact CD2-CG2 4.48Å; L61-V64 HydrophobicContact CD2-CG2 4.15Å; V64-Y73 WeakPolarHBondContact CG1-OH 3.43Å; V64-L78 HydrophobicContact CB-CD1 3.98Å; V64-L78 HydrophobicContact CG1-CD1 4.49Å; V64-L78 HydrophobicContact CG2-CD1 4Å; V64-L78 HydrophobicContact CG2-CD2 3.87Å; V64-I83 HydrophobicContact CG2-CG2 4.06Å; V64-S84 PolarHBondContact N-O 3.16Å; V64-Y85 HydrophobicContact CB-CD2 4.44Å; V64-Y85 HydrophobicContact CG1-CD2 4.47Å; V64-Y85 WeakPolarHBondContact O-CA 3.38Å; V64-H86 PolarHBondContact O-N 3.31Å; V64-A121 CarbonylContact C-O 3.44Å; V64-A121 WeakPolarHBondContact CA-O 3.48Å; V64-A121 HydrophobicContact CG2-CB 4.33Å
65	I	98.8	Very high	96.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.4	173.2	-53.5	179.2	0	0	0	109.2	L67 H86 I88 F104 L107 V108 I120 A121 V122 H123	I65-L67 HydrophobicContact CG2-CD2 3.8Å; I65-L67 HydrophobicContact CG2-CG 4.48Å; I65-H86 CarbonylContact C-O 3.54Å; I65-H86 WeakPolarHBondContact CA-O 3.44Å; I65-I88 HydrophobicContact CG2-CD1 4.19Å; I65-I88 HydrophobicContact CG2-CG1 4.43Å; I65-F104 HydrophobicContact CD1-CD2 4.48Å; I65-F104 HydrophobicContact CD1-CE2 4.04Å; I65-F104 HydrophobicContact CG2-CD2 4.25Å; I65-F104 HydrophobicContact CG2-CE2 4.15Å; I65-L107 HydrophobicContact CD1-CD2 3.73Å; I65-L107 HydrophobicContact CD1-CG 4.08Å; I65-L107 HydrophobicContact CG1-CD2 3.93Å; I65-L107 HydrophobicContact CG2-CD2 4.21Å; I65-V108 HydrophobicContact CD1-CG2 3.91Å; I65-I120 HydrophobicContact CD1-CG2 3.63Å; I65-I120 HydrophobicContact CG1-CG2 3.92Å; I65-A121 PolarHBondContact N-O 2.87Å; I65-V122 HydrophobicContact CB-CG1 4.34Å; I65-V122 HydrophobicContact CB-CG2 4.31Å; I65-V122 HydrophobicContact CD1-CG2 4.3Å; I65-H123 PolarHBondContact O-N 3.34Å
66	D	98.7	Very high	96.4	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	109.1	179.9	178.1	3.5	0	0	0	110.9	T68 Y85 H86 K87 I88 H123	D66-T68 VanDerWaalsContact C-N 3.35Å; D66-T68 VanDerWaalsContact OD1-CB 3.26Å; D66-T68 WeakPolarHBondContact OD1-CB 3.43Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.48Å; D66-T68 PolarHBondContact OD1-N 3.18Å; D66-T68 PolarHBondContact OD1-OG1 3.46Å; D66-T68 PolarHBondContact OD2-OG1 2.94Å; D66-Y85 HydrophobicContact CB-CE2 3.58Å; D66-Y85 WeakPolarHBondContact CB-OH 3.3Å; D66-Y85 PolarHBondContact OD2-OH 3.43Å; D66-H86 PolarHBondContact N-O 3.44Å; D66-K87 HydrophobicContact CB-CG 4.36Å; D66-K87 VanDerWaalsContact CG-NZ 3.29Å; D66-K87 WeakPolarHBondContact O-CA 3.34Å; D66-K87 IonicContact OD1-NZ 3.86Å; D66-K87 PolarHBondContact OD1-NZ 3.1Å; D66-K87 IonicContact OD2-NZ 3.46Å; D66-K87 PolarHBondContact OD2-NZ 3.47Å; D66-I88 PolarHBondContact O-N 2.91Å; D66-H123 WeakPolarHBondContact CB-NE2 3.44Å; D66-H123 IonicContact OD1-CE1 2.71Å; D66-H123 PolarHBondContact OD1-CE1 3.4Å; D66-H123 IonicContact OD1-ND1 2.84Å; D66-H123 IonicContact OD1-NE2 3.2Å
67	L	98.3	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.			trans	-92.6	6.9	-180	-52.1	175.8	0	0	0	113	I65 I88 V90 F104 V122 H123 C124 L134	I65-L67 HydrophobicContact CG2-CD2 3.8Å; I65-L67 HydrophobicContact CG2-CG 4.48Å; L67-I88 CarbonylContact C-O 3.58Å; L67-I88 VanDerWaalsContact CA-O 3.3Å; L67-I88 WeakPolarHBondContact CA-O 3.31Å; L67-I88 HydrophobicContact CD2-CB 3.94Å; L67-I88 HydrophobicContact CD2-CD1 4.4Å; L67-V90 HydrophobicContact CB-CB 4.48Å; L67-V90 HydrophobicContact CB-CG2 4.04Å; L67-V90 HydrophobicContact CD2-CG2 4.1Å; L67-F104 HydrophobicContact CD2-CD2 4.28Å; L67-V122 HydrophobicContact CD1-CG1 3.66Å; L67-V122 HydrophobicContact CG-CG1 4.12Å; L67-H123 VanDerWaalsContact CB-O 3.23Å; L67-H123 WeakPolarHBondContact CB-O 3.26Å; L67-H123 WeakPolarHBondContact CG-O 3.49Å; L67-H123 PolarHBondContact N-O 2.57Å; L67-C124 HydrophobicContact CB-CB 4.12Å; L67-L134 HydrophobicContact CD1-CD1 3.87Å; L67-L134 HydrophobicContact CD2-CD1 3.62Å; L67-L134 HydrophobicContact CG-CD1 4.33Å
68	T	96.6	Very high	96.5	Very high	1 Å²	1	51 Å²	51	1%	0.006	25%	0.245	C	C	.	.			trans	-79.5	143.1	177.9	66	0	0	0	0	111	D66 T70 Y72 K87 C124	D66-T68 VanDerWaalsContact C-N 3.35Å; D66-T68 VanDerWaalsContact OD1-CB 3.26Å; D66-T68 WeakPolarHBondContact OD1-CB 3.43Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.48Å; D66-T68 PolarHBondContact OD1-N 3.18Å; D66-T68 PolarHBondContact OD1-OG1 3.46Å; D66-T68 PolarHBondContact OD2-OG1 2.94Å; T68-T70 PolarHBondContact OG1-O 2.81Å; T68-Y72 HydrophobicContact CG2-CD2 4.28Å; T68-Y72 HydrophobicContact CG2-CE2 4.16Å; T68-K87 WeakPolarHBondContact O-CE 3.19Å; T68-K87 PolarHBondContact O-NZ 2.95Å; T68-K87 PolarHBondContact OG1-NZ 2.93Å; T68-K87 VanDerWaalsContact OG1-NZ 3.07Å; T68-C124 WeakPolarHBondContact CG2-O 3.43Å
69	Y	91.1	Very high	96.5	Very high	154 Å²	154	48.3 Å²	48.3	60%	0.604	23%	0.227	S	C	*	.	S	Bend	trans	-70.3	-40.1	173.2	-157.2	-92.5	0	0	0	111.7	Y89	Y69-Y89 HydrophobicContact CD2-CD1 4.25Å; Y69-Y89 HydrophobicContact CE2-CD1 4.47Å; Y69-Y89 HydrophobicContact CG-CD1 4.45Å; Y69-Y89 WeakPolarHBondContact O-CD1 3.34Å; Y69-Y89 WeakPolarHBondContact O-CE1 3.43Å
70	T	91.4	Very high	96.6	Very high	61 Å²	61	49.8 Å²	49.8	37%	0.374	24%	0.237	S	C	.	.	S	Bend	trans	-81.2	148.6	179.7	-50.1	0	0	0	0	111.6	P2 T68 Y72 K87	P2-T70 HydrophobicContact CB-CG2 4Å; P2-T70 HydrophobicContact CG-CG2 4.13Å; T68-T70 PolarHBondContact OG1-O 2.81Å; T70-Y72 HydrophobicContact CG2-CE2 4.26Å; T70-K87 PolarHBondContact O-NZ 3.46Å
71	K	92.4	Very high	96.5	Very high	132 Å²	132	46.8 Å²	46.8	57%	0.574	23%	0.227	S	C	*	.			trans	-87.1	116.8	169.7	-171.2	175.1	-176.3	175.6	0	110.3	Y73	K71-Y73 WeakPolarHBondContact CE-O 3.32Å
72	Y	95.5	Very high	96.5	Very high	27 Å²	27	53.1 Å²	53.1	11%	0.106	26%	0.261	C	S	.	.			trans	-103.1	-20.8	-177.6	-76.1	-85.3	0	0	0	114.3	P2 Y4 P6 L29 P32 T68 T70	P2-Y72 HydrophobicContact CB-CD1 3.69Å; P2-Y72 HydrophobicContact CB-CE1 3.36Å; P2-Y72 HydrophobicContact CG-CD1 4.08Å; P2-Y72 HydrophobicContact CG-CE1 4.24Å; Y4-Y72 HydrophobicContact CD1-CD1 4.41Å; Y4-Y72 AromaticContact CE1-CD1 3.71Å; Y4-Y72 HydrophobicContact CE1-CD1 3.71Å; Y4-Y72 PolarHBondContact OH-O 3.21Å; P6-Y72 HydrophobicContact CG-CE1 3.77Å; L29-Y72 HydrophobicContact CD1-CD2 4.03Å; L29-Y72 HydrophobicContact CD1-CG 3.95Å; L29-Y72 HydrophobicContact CD2-CD1 3.47Å; L29-Y72 VanDerWaalsContact CD2-CD1 3.47Å; L29-Y72 HydrophobicContact CD2-CD2 3.86Å; L29-Y72 HydrophobicContact CD2-CE1 3.78Å; L29-Y72 HydrophobicContact CD2-CE2 4.15Å; L29-Y72 HydrophobicContact CD2-CG 3.51Å; L29-Y72 HydrophobicContact CG-CG 4.36Å; P32-Y72 WeakPolarHBondContact CG-O 3.36Å; T68-Y72 HydrophobicContact CG2-CD2 4.28Å; T68-Y72 HydrophobicContact CG2-CE2 4.16Å; T70-Y72 HydrophobicContact CG2-CE2 4.26Å
73	Y	96	Very high	96.5	Very high	15 Å²	15	53 Å²	53	6%	0.059	26%	0.26	C	S	.	.	S	Bend	trans	-148.2	163.2	-177.6	56.1	-104	0	0	0	112	L29 L47 V64 K71 L78 Y85 H123	L29-Y73 HydrophobicContact CD1-CD1 4.15Å; L29-Y73 HydrophobicContact CD1-CE1 3.95Å; L47-Y73 HydrophobicContact CD1-CD2 3.94Å; L47-Y73 HydrophobicContact CD1-CE2 4.11Å; L47-Y73 HydrophobicContact CD1-CG 4.44Å; V64-Y73 WeakPolarHBondContact CG1-OH 3.43Å; K71-Y73 WeakPolarHBondContact CE-O 3.32Å; Y73-L78 HydrophobicContact CE2-CD1 4.2Å; Y73-Y85 HydrophobicContact CE2-CD2 4.19Å; Y73-Y85 AromaticContact CE2-CE2 3.71Å; Y73-Y85 HydrophobicContact CE2-CE2 3.71Å; Y73-Y85 AromaticContact CZ-CE2 3.94Å; Y73-Y85 WeakPolarHBondContact OH-CE2 3.43Å; Y73-H123 AromaticContact CE1-CE1 3.8Å; Y73-H123 AromaticContact CE1-NE2 3.61Å; Y73-H123 AromaticContact CZ-NE2 3.55Å; Y73-H123 PolarHBondContact OH-NE2 3.47Å
74	S	94.3	Very high	96.5	Very high	73 Å²	73	54.5 Å²	54.5	51%	0.51	27%	0.27	S	S	.	.			trans	-80.7	141.8	171.6	-178.9	0	0	0	0	110.3	K76	S74-K76 VanDerWaalsContact C-N 3.27Å; S74-K76 PolarHBondContact OG-N 3.1Å
75	T	95.6	Very high	96.5	Very high	29 Å²	29	56.3 Å²	56.3	18%	0.178	28%	0.278	C	S	.	.	S	Bend	trans	-82.1	-8.9	177.3	62.4	0	0	0	0	112.5	F77 L78 H79 Y85	T75-F77 VanDerWaalsContact C-N 3.3Å; T75-F77 PolarHBondContact O-N 2.96Å; T75-L78 WeakPolarHBondContact O-CB 3.37Å; T75-L78 PolarHBondContact O-N 3.15Å; T75-H79 WeakPolarHBondContact CB-NE2 3.42Å; T75-H79 PolarHBondContact O-CD2 2.84Å; T75-H79 PolarHBondContact O-N 3.06Å; T75-H79 PolarHBondContact OG1-CD2 3.37Å; T75-H79 VanDerWaalsContact OG1-CD2 3.31Å; T75-H79 PolarHBondContact OG1-NE2 3.33Å; T75-H79 VanDerWaalsContact OG1-NE2 3.08Å; T75-Y85 HydrophobicContact CG2-CD1 3.25Å; T75-Y85 HydrophobicContact CG2-CD2 4Å; T75-Y85 HydrophobicContact CG2-CE1 3.4Å; T75-Y85 VanDerWaalsContact CG2-CE1 3.4Å; T75-Y85 HydrophobicContact CG2-CE2 4.12Å; T75-Y85 HydrophobicContact CG2-CG 3.54Å
76	K	96.8	Very high	96.4	Very high	123 Å²	123	58.7 Å²	58.7	54%	0.535	29%	0.288	S	S	.	.	H	α-helix	trans	-52.4	-46.9	-177.3	174.1	164.8	171.3	45	0	112.3	S74 L78 H79 D80	S74-K76 VanDerWaalsContact C-N 3.27Å; S74-K76 PolarHBondContact OG-N 3.1Å; K76-L78 VanDerWaalsContact C-N 3.26Å; K76-L78 PolarHBondContact O-N 2.84Å; K76-H79 PolarHBondContact O-N 3.08Å; K76-D80 WeakPolarHBondContact CE-OD2 3.39Å; K76-D80 WeakPolarHBondContact CG-OD2 3.42Å; K76-D80 IonicContact NZ-OD1 2.67Å; K76-D80 PolarHBondContact NZ-OD1 3.4Å; K76-D80 IonicContact NZ-OD2 3.93Å; K76-D80 PolarHBondContact NZ-OD2 3.19Å; K76-D80 WeakPolarHBondContact O-CB 3.34Å; K76-D80 PolarHBondContact O-N 2.63Å
77	F	96.4	Very high	96.4	Very high	79 Å²	79	60.4 Å²	60.4	35%	0.346	30%	0.296	S	S	.	.	H	α-helix	trans	-59.5	-37	179.6	-178.2	-98.3	0	0	0	112.7	L47 I51 T75 N81	L47-F77 HydrophobicContact CB-CD1 3.56Å; L47-F77 HydrophobicContact CB-CE1 3.66Å; L47-F77 HydrophobicContact CD1-CD1 4.08Å; L47-F77 HydrophobicContact CG-CD1 4.49Å; I51-F77 HydrophobicContact CD1-CD1 4.49Å; I51-F77 HydrophobicContact CD1-CE1 3.59Å; I51-F77 HydrophobicContact CD1-CZ 4.12Å; T75-F77 VanDerWaalsContact C-N 3.3Å; T75-F77 PolarHBondContact O-N 2.96Å; F77-N81 PolarHBondContact O-N 3.42Å; F77-N81 PolarHBondContact O-ND2 2.93Å
78	L	98.1	Very high	96.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.6	-46.5	175.9	-63.3	175.9	0	0	0	111.2	L47 V64 Y73 T75 K76 D80 N81 N82 I83 Y85	L47-L78 HydrophobicContact CD1-CD1 4.32Å; L47-L78 HydrophobicContact CD1-CD2 3.97Å; L47-L78 HydrophobicContact CD1-CG 3.9Å; L47-L78 HydrophobicContact CD2-CD2 4.07Å; L47-L78 HydrophobicContact CG-CD2 4.45Å; V64-L78 HydrophobicContact CB-CD1 3.98Å; V64-L78 HydrophobicContact CG1-CD1 4.49Å; V64-L78 HydrophobicContact CG2-CD1 4Å; V64-L78 HydrophobicContact CG2-CD2 3.87Å; Y73-L78 HydrophobicContact CE2-CD1 4.2Å; T75-L78 WeakPolarHBondContact O-CB 3.37Å; T75-L78 PolarHBondContact O-N 3.15Å; K76-L78 VanDerWaalsContact C-N 3.26Å; K76-L78 PolarHBondContact O-N 2.84Å; L78-D80 PolarHBondContact O-N 3.09Å; L78-N81 CarbonylContact O-C 3.58Å; L78-N81 PolarHBondContact O-N 3.09Å; L78-N81 VanDerWaalsContact O-N 3.09Å; L78-N82 PolarHBondContact O-N 3.06Å; L78-I83 CarbonylContact C-O 3.32Å; L78-I83 HydrophobicContact CB-CB 4.13Å; L78-I83 HydrophobicContact CB-CG2 4.46Å; L78-I83 HydrophobicContact CD2-CB 4.22Å; L78-I83 HydrophobicContact CD2-CD1 4.22Å; L78-I83 HydrophobicContact CD2-CG2 4.01Å; L78-I83 WeakPolarHBondContact O-CB 3.42Å; L78-I83 PolarHBondContact O-N 3.08Å; L78-Y85 HydrophobicContact CD1-CD2 3.63Å; L78-Y85 HydrophobicContact CD1-CG 4.15Å
79	H	97.4	Very high	96.4	Very high	102 Å²	102	67.3 Å²	67.3	47%	0.472	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-43.1	178.3	-65.3	-60.2	0	0	0	112.4	T75 K76 N81 N82	T75-H79 WeakPolarHBondContact CB-NE2 3.42Å; T75-H79 PolarHBondContact O-CD2 2.84Å; T75-H79 PolarHBondContact O-N 3.06Å; T75-H79 PolarHBondContact OG1-CD2 3.37Å; T75-H79 VanDerWaalsContact OG1-CD2 3.31Å; T75-H79 PolarHBondContact OG1-NE2 3.33Å; T75-H79 VanDerWaalsContact OG1-NE2 3.08Å; K76-H79 PolarHBondContact O-N 3.08Å; H79-N81 PolarHBondContact O-N 2.71Å; H79-N82 PolarHBondContact O-N 3.18Å
80	D	97.6	Very high	96.6	Very high	95 Å²	95	60.1 Å²	60.1	51%	0.508	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-24.9	177.1	-65.2	-18.7	0	0	0	112	K76 L78	K76-D80 WeakPolarHBondContact CE-OD2 3.39Å; K76-D80 WeakPolarHBondContact CG-OD2 3.42Å; K76-D80 IonicContact NZ-OD1 2.67Å; K76-D80 PolarHBondContact NZ-OD1 3.4Å; K76-D80 IonicContact NZ-OD2 3.93Å; K76-D80 PolarHBondContact NZ-OD2 3.19Å; K76-D80 WeakPolarHBondContact O-CB 3.34Å; K76-D80 PolarHBondContact O-N 2.63Å; L78-D80 PolarHBondContact O-N 3.09Å
81	N	97.5	Very high	96.5	Very high	71 Å²	71	63.6 Å²	63.6	38%	0.38	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	10.8	176	-75.4	-82	0	0	0	113.7	I51 F77 L78 H79 I83	I51-N81 HydrophobicContact CD1-CB 4.2Å; F77-N81 PolarHBondContact O-N 3.42Å; F77-N81 PolarHBondContact O-ND2 2.93Å; L78-N81 CarbonylContact O-C 3.58Å; L78-N81 PolarHBondContact O-N 3.09Å; L78-N81 VanDerWaalsContact O-N 3.09Å; H79-N81 PolarHBondContact O-N 2.71Å; N81-I83 VanDerWaalsContact C-N 3.31Å; N81-I83 HydrophobicContact CB-CD1 3.95Å; N81-I83 HydrophobicContact CB-CG1 4.13Å; N81-I83 PolarHBondContact O-N 3.29Å
82	N	97.5	Very high	96.2	Very high	140 Å²	140	58.8 Å²	58.8	75%	0.749	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	39.1	-177.1	-55.3	-73.1	0	0	0	113.9	L78 H79	L78-N82 PolarHBondContact O-N 3.06Å; H79-N82 PolarHBondContact O-N 3.18Å
83	I	98.7	Very high	95.9	Very high	9 Å²	9	63.6 Å²	63.6	5%	0.046	32%	0.318	C	S	.	.			trans	-107.8	124.2	177.9	-57.2	174.8	0	0	0	108.1	I51 L61 T62 V64 L78 N81	I51-I83 HydrophobicContact CD1-CD1 3.57Å; I51-I83 HydrophobicContact CG1-CD1 3.83Å; L61-I83 HydrophobicContact CB-CD1 4.27Å; L61-I83 HydrophobicContact CD2-CD1 3.88Å; L61-I83 HydrophobicContact CD2-CG2 4.45Å; L61-I83 HydrophobicContact CG-CD1 4.07Å; L61-I83 HydrophobicContact CG-CG2 4.18Å; T62-I83 WeakPolarHBondContact O-CA 3.44Å; V64-I83 HydrophobicContact CG2-CG2 4.06Å; L78-I83 CarbonylContact C-O 3.32Å; L78-I83 HydrophobicContact CB-CB 4.13Å; L78-I83 HydrophobicContact CB-CG2 4.46Å; L78-I83 HydrophobicContact CD2-CB 4.22Å; L78-I83 HydrophobicContact CD2-CD1 4.22Å; L78-I83 HydrophobicContact CD2-CG2 4.01Å; L78-I83 WeakPolarHBondContact O-CB 3.42Å; L78-I83 PolarHBondContact O-N 3.08Å; N81-I83 VanDerWaalsContact C-N 3.31Å; N81-I83 HydrophobicContact CB-CD1 3.95Å; N81-I83 HydrophobicContact CB-CG1 4.13Å; N81-I83 PolarHBondContact O-N 3.29Å
84	S	98.4	Very high	95.7	Very high	32 Å²	32	65 Å²	65	22%	0.224	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	144.3	175.3	68	0	0	0	0	109.9	T62 C63 V64 E111	T62-S84 PolarHBondContact O-N 2.87Å; T62-S84 PolarHBondContact O-OG 3.33Å; C63-S84 CarbonylContact C-O 3.55Å; C63-S84 WeakPolarHBondContact CA-O 3.49Å; C63-S84 WeakPolarHBondContact CA-OG 3.45Å; C63-S84 WeakPolarHBondContact CB-OG 3.39Å; C63-S84 PolarHBondContact SG-OG 3.14Å; C63-S84 VanDerWaalsContact SG-OG 3.34Å; V64-S84 PolarHBondContact N-O 3.16Å; S84-E111 PolarHBondContact OG-OE2 2.95Å
85	Y	98.6	Very high	95.8	Very high	39 Å²	39	63.9 Å²	63.9	15%	0.153	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130	177.1	171	-91.9	0	0	0	109.4	V64 D66 Y73 T75 L78 K87	V64-Y85 HydrophobicContact CB-CD2 4.44Å; V64-Y85 HydrophobicContact CG1-CD2 4.47Å; V64-Y85 WeakPolarHBondContact O-CA 3.38Å; D66-Y85 HydrophobicContact CB-CE2 3.58Å; D66-Y85 WeakPolarHBondContact CB-OH 3.3Å; D66-Y85 PolarHBondContact OD2-OH 3.43Å; Y73-Y85 HydrophobicContact CE2-CD2 4.19Å; Y73-Y85 AromaticContact CE2-CE2 3.71Å; Y73-Y85 HydrophobicContact CE2-CE2 3.71Å; Y73-Y85 AromaticContact CZ-CE2 3.94Å; Y73-Y85 WeakPolarHBondContact OH-CE2 3.43Å; T75-Y85 HydrophobicContact CG2-CD1 3.25Å; T75-Y85 HydrophobicContact CG2-CD2 4Å; T75-Y85 HydrophobicContact CG2-CE1 3.4Å; T75-Y85 VanDerWaalsContact CG2-CE1 3.4Å; T75-Y85 HydrophobicContact CG2-CE2 4.12Å; T75-Y85 HydrophobicContact CG2-CG 3.54Å; L78-Y85 HydrophobicContact CD1-CD2 3.63Å; L78-Y85 HydrophobicContact CD1-CG 4.15Å; Y85-K87 HydrophobicContact CE1-CB 3.92Å; Y85-K87 WeakPolarHBondContact OH-CD 3.38Å
86	H	98.4	Very high	95.8	Very high	49 Å²	49	63 Å²	63	23%	0.227	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.4	178.2	-61.9	-83.5	0	0	0	109.9	V64 I65 D66 L107 E111	V64-H86 PolarHBondContact O-N 3.31Å; I65-H86 CarbonylContact C-O 3.54Å; I65-H86 WeakPolarHBondContact CA-O 3.44Å; D66-H86 PolarHBondContact N-O 3.44Å; H86-L107 HydrophobicContact CB-CD1 4.29Å; H86-L107 HydrophobicContact CB-CD2 3.43Å; H86-L107 VanDerWaalsContact CB-CD2 3.43Å; H86-L107 HydrophobicContact CB-CG 4.47Å; H86-L107 VanDerWaalsContact CE1-CD1 3.5Å; H86-L107 WeakPolarHBondContact CE1-CD1 3.47Å; H86-E111 IonicContact CD2-OE1 2.7Å; H86-E111 IonicContact CE1-OE1 3.84Å; H86-E111 IonicContact NE2-OE1 3.16Å; H86-E111 PolarHBondContact NE2-OE1 3.35Å
87	K	98	Very high	95.7	Very high	37 Å²	37	61.7 Å²	61.7	16%	0.161	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.8	174.2	-162.1	170.3	-175.7	69	0	109.7	D66 T68 T70 Y85 Y89	D66-K87 HydrophobicContact CB-CG 4.36Å; D66-K87 VanDerWaalsContact CG-NZ 3.29Å; D66-K87 WeakPolarHBondContact O-CA 3.34Å; D66-K87 IonicContact OD1-NZ 3.86Å; D66-K87 PolarHBondContact OD1-NZ 3.1Å; D66-K87 IonicContact OD2-NZ 3.46Å; D66-K87 PolarHBondContact OD2-NZ 3.47Å; T68-K87 WeakPolarHBondContact O-CE 3.19Å; T68-K87 PolarHBondContact O-NZ 2.95Å; T68-K87 PolarHBondContact OG1-NZ 2.93Å; T68-K87 VanDerWaalsContact OG1-NZ 3.07Å; T70-K87 PolarHBondContact O-NZ 3.46Å; Y85-K87 HydrophobicContact CE1-CB 3.92Å; Y85-K87 WeakPolarHBondContact OH-CD 3.38Å; K87-Y89 HydrophobicContact CD-CE1 3.81Å; K87-Y89 HydrophobicContact CD-CE2 4.33Å; K87-Y89 HydrophobicContact CG-CE1 4.37Å; K87-Y89 HydrophobicContact CG-CE2 4.36Å
88	I	97.9	Very high	95.6	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	33%	0.33	C	S	.	.			trans	-113.2	113.9	170.3	-56	-179.5	0	0	0	106.4	I65 D66 L67 V90 T100 Q103 F104 L107	I65-I88 HydrophobicContact CG2-CD1 4.19Å; I65-I88 HydrophobicContact CG2-CG1 4.43Å; D66-I88 PolarHBondContact O-N 2.91Å; L67-I88 CarbonylContact C-O 3.58Å; L67-I88 VanDerWaalsContact CA-O 3.3Å; L67-I88 WeakPolarHBondContact CA-O 3.31Å; L67-I88 HydrophobicContact CD2-CB 3.94Å; L67-I88 HydrophobicContact CD2-CD1 4.4Å; I88-V90 HydrophobicContact CB-CG2 4.49Å; I88-V90 HydrophobicContact CG2-CG2 3.96Å; I88-V90 PolarHBondContact O-N 2.71Å; I88-T100 HydrophobicContact CG2-CG2 3.79Å; I88-Q103 HydrophobicContact CD1-CG 4.19Å; I88-F104 HydrophobicContact CD1-CB 4.04Å; I88-F104 HydrophobicContact CD1-CD2 4.07Å; I88-L107 HydrophobicContact CD1-CD2 4.07Å
89	Y	96.1	Very high	95.5	Very high	144 Å²	144	69.7 Å²	69.7	57%	0.565	36%	0.362	S	S	*	.			trans	-73.8	97.5	-177.6	-66	-87.5	0	0	0	109.9	Y69 K87	Y69-Y89 HydrophobicContact CD2-CD1 4.25Å; Y69-Y89 HydrophobicContact CE2-CD1 4.47Å; Y69-Y89 HydrophobicContact CG-CD1 4.45Å; Y69-Y89 WeakPolarHBondContact O-CD1 3.34Å; Y69-Y89 WeakPolarHBondContact O-CE1 3.43Å; K87-Y89 HydrophobicContact CD-CE1 3.81Å; K87-Y89 HydrophobicContact CD-CE2 4.33Å; K87-Y89 HydrophobicContact CG-CE1 4.37Å; K87-Y89 HydrophobicContact CG-CE2 4.36Å
90	V	95	Very high	95.5	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.018	35%	0.345	C	S	.	.			trans	-105.4	115.2	177.4	-168.7	0	0	0	0	109.5	L67 I88 P96 T100 R130 L134	L67-V90 HydrophobicContact CB-CB 4.48Å; L67-V90 HydrophobicContact CB-CG2 4.04Å; L67-V90 HydrophobicContact CD2-CG2 4.1Å; I88-V90 HydrophobicContact CB-CG2 4.49Å; I88-V90 HydrophobicContact CG2-CG2 3.96Å; I88-V90 PolarHBondContact O-N 2.71Å; V90-P96 HydrophobicContact CG1-CB 4.18Å; V90-P96 HydrophobicContact CG1-CG 3.63Å; V90-T100 HydrophobicContact CG2-CG2 3.87Å; V90-R130 HydrophobicContact CB-CG 4.28Å; V90-R130 HydrophobicContact CG1-CB 4.22Å; V90-R130 HydrophobicContact CG1-CG 3.7Å; V90-R130 WeakPolarHBondContact O-CD 3.29Å; V90-R130 PolarHBondContact O-NH1 2.87Å; V90-L134 HydrophobicContact CG2-CD1 3.97Å
91	E	90.3	Very high	95.5	Very high	134 Å²	134	61.2 Å²	61.2	63%	0.626	32%	0.321	S	S	*	.			trans	-57.3	140.5	174.7	-160.7	-179.8	175.8	0	0	110
92	G	85.6	Confident	95.5	Very high	31 Å²	31	63.6 Å²	63.6	32%	0.32	33%	0.33	S	S	.	.	S	Bend	trans	-67.5	151.3	169.4	0	0	0	0	0	109.7	A94	G92-A94 PolarHBondContact O-N 3Å
93	H	88.7	Confident	95.6	Very high	129 Å²	129	61.3 Å²	61.3	60%	0.597	32%	0.315	S	S	*	.	S	Bend	trans	75.1	-36.1	166.6	-56.7	166.9	0	0	0	117.5	R164 N166	H93-R164 VanDerWaalsContact CA-CZ 3.49Å; H93-R164 VanDerWaalsContact CA-NE 3.33Å; H93-R164 PolarHBondContact CD2-NH1 3.25Å; H93-R164 VanDerWaalsContact CG-NH2 3.25Å; H93-R164 PolarHBondContact O-NE 3.37Å; H93-R164 VanDerWaalsContact O-NE 3.14Å; H93-N166 PolarHBondContact O-ND2 3.47Å
94	A	93.5	Very high	95.6	Very high	43 Å²	43	61 Å²	61	36%	0.355	31%	0.313	S	S	.	.	S	Bend	trans	-81.4	144.7	173.9	0	0	0	0	0	111.4	G92 P96 Y167	G92-A94 PolarHBondContact O-N 3Å; A94-P96 WeakPolarHBondContact O-CD 3.46Å; A94-Y167 VanDerWaalsContact C-CE1 3.5Å; A94-Y167 WeakPolarHBondContact O-CE1 3.25Å; A94-Y167 VanDerWaalsContact O-CZ 3.26Å; A94-Y167 PolarHBondContact O-OH 2.83Å
95	V	95.1	Very high	95.6	Very high	50 Å²	50	60.3 Å²	60.3	30%	0.303	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-64.4	126.7	174.3	176.8	0	0	0	0	108.3	N97 Y133 N166 Y167 D170	V95-N97 PolarHBondContact O-N 3.46Å; V95-Y133 HydrophobicContact CG1-CE1 4.42Å; V95-Y133 HydrophobicContact CG1-CE2 3.85Å; V95-Y133 VanDerWaalsContact CG1-OH 3.3Å; V95-Y133 WeakPolarHBondContact CG1-OH 3.34Å; V95-N166 HydrophobicContact CG2-CB 4.49Å; V95-Y167 HydrophobicContact CG2-CD1 3.94Å; V95-Y167 HydrophobicContact CG2-CE1 4.24Å; V95-D170 HydrophobicContact CG1-CB 4.09Å; V95-D170 HydrophobicContact CG2-CB 4.3Å
96	P	96	Very high	95.6	Very high	10 Å²	10	63 Å²	63	7%	0.065	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-56.8	133.4	175.7	-25.6	35.3	0	0	0	111.6	V90 A94 T100 Y133 L134	V90-P96 HydrophobicContact CG1-CB 4.18Å; V90-P96 HydrophobicContact CG1-CG 3.63Å; A94-P96 WeakPolarHBondContact O-CD 3.46Å; P96-T100 HydrophobicContact CB-CG2 4.03Å; P96-Y133 HydrophobicContact CB-CD1 3.97Å; P96-Y133 HydrophobicContact CB-CE1 3.75Å; P96-Y133 HydrophobicContact CG-CD1 3.46Å; P96-Y133 VanDerWaalsContact CG-CD1 3.46Å; P96-Y133 HydrophobicContact CG-CE1 3.7Å; P96-Y133 HydrophobicContact CG-CG 4.25Å; P96-L134 HydrophobicContact CB-CD2 4.15Å; P96-L134 HydrophobicContact CG-CD2 4.48Å
97	N	94.8	Very high	95.6	Very high	96 Å²	96	61.5 Å²	61.5	51%	0.513	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-72.4	165.7	-178.8	65.2	57.4	0	0	0	111.9	V95 K99 T100 V101	V95-N97 PolarHBondContact O-N 3.46Å; N97-K99 PolarHBondContact O-N 2.84Å; N97-K99 WeakPolarHBondContact OD1-CB 3.48Å; N97-K99 PolarHBondContact OD1-N 3.37Å; N97-K99 VanDerWaalsContact OD1-N 3.08Å; N97-T100 WeakPolarHBondContact O-CB 3.38Å; N97-T100 PolarHBondContact O-N 2.88Å; N97-T100 PolarHBondContact OD1-N 3.46Å; N97-T100 PolarHBondContact OD1-OG1 2.82Å; N97-V101 PolarHBondContact O-N 3.09Å; N97-V101 VanDerWaalsContact O-N 3.09Å
98	S	94.6	Very high	95.6	Very high	90 Å²	90	59.7 Å²	59.7	63%	0.629	31%	0.31	S	S	*	.	H	α-helix	trans	-57.3	-34.1	-177.4	-52.5	0	0	0	0	113.6	V101 E102	S98-V101 WeakPolarHBondContact O-CB 3.37Å; S98-V101 PolarHBondContact O-N 3.43Å; S98-E102 WeakPolarHBondContact O-CB 3.38Å; S98-E102 PolarHBondContact O-N 3.35Å
99	K	96.3	Very high	95.6	Very high	157 Å²	157	60.7 Å²	60.7	68%	0.683	32%	0.315	S	S	*	.	H	α-helix	trans	-67.7	-39.7	177.7	-176.2	-179.1	-179.9	178.5	0	111.7	N97 V101 Q103	N97-K99 PolarHBondContact O-N 2.84Å; N97-K99 WeakPolarHBondContact OD1-CB 3.48Å; N97-K99 PolarHBondContact OD1-N 3.37Å; N97-K99 VanDerWaalsContact OD1-N 3.08Å; K99-V101 VanDerWaalsContact C-N 3.3Å; K99-Q103 VanDerWaalsContact O-CB 3.27Å; K99-Q103 WeakPolarHBondContact O-CB 3.34Å; K99-Q103 PolarHBondContact O-N 3.47Å
100	T	97.3	Very high	95.7	Very high	17 Å²	17	59 Å²	59	10%	0.104	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-39.3	173	-60.2	0	0	0	0	111.2	I88 V90 P96 N97 F104 L134	I88-T100 HydrophobicContact CG2-CG2 3.79Å; V90-T100 HydrophobicContact CG2-CG2 3.87Å; P96-T100 HydrophobicContact CB-CG2 4.03Å; N97-T100 WeakPolarHBondContact O-CB 3.38Å; N97-T100 PolarHBondContact O-N 2.88Å; N97-T100 PolarHBondContact OD1-N 3.46Å; N97-T100 PolarHBondContact OD1-OG1 2.82Å; T100-F104 WeakPolarHBondContact O-CB 3.27Å; T100-F104 PolarHBondContact O-N 2.87Å; T100-L134 HydrophobicContact CG2-CD1 4.31Å; T100-L134 HydrophobicContact CG2-CD2 4.32Å
101	V	97.6	Very high	95.9	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-50.3	176.7	174.6	0	0	0	0	111.1	N97 S98 K99 Q103 F104 I105 Y133 L134 R137	N97-V101 PolarHBondContact O-N 3.09Å; N97-V101 VanDerWaalsContact O-N 3.09Å; S98-V101 WeakPolarHBondContact O-CB 3.37Å; S98-V101 PolarHBondContact O-N 3.43Å; K99-V101 VanDerWaalsContact C-N 3.3Å; V101-Q103 PolarHBondContact O-N 3.44Å; V101-F104 WeakPolarHBondContact O-CB 3.41Å; V101-F104 PolarHBondContact O-N 2.99Å; V101-F104 VanDerWaalsContact O-N 3.15Å; V101-I105 HydrophobicContact CG1-CD1 3.78Å; V101-I105 HydrophobicContact CG1-CG1 4.44Å; V101-I105 WeakPolarHBondContact O-CG1 3.47Å; V101-I105 PolarHBondContact O-N 2.94Å; V101-Y133 HydrophobicContact CG2-CE1 3.96Å; V101-L134 HydrophobicContact CG2-CD2 3.88Å; V101-R137 HydrophobicContact CG1-CB 3.7Å; V101-R137 HydrophobicContact CG1-CG 4.18Å; V101-R137 HydrophobicContact CG2-CB 4.37Å; V101-R137 HydrophobicContact CG2-CG 4.07Å
102	E	97.9	Very high	96.2	Very high	120 Å²	120	56.7 Å²	56.7	56%	0.561	30%	0.296	S	S	*	.	H	α-helix	trans	-57	-48.9	177	-176.7	178	-156	0	0	111.2	S98 F104 I105 D106	S98-E102 WeakPolarHBondContact O-CB 3.38Å; S98-E102 PolarHBondContact O-N 3.35Å; E102-F104 VanDerWaalsContact C-N 3.27Å; E102-F104 PolarHBondContact O-N 2.86Å; E102-I105 PolarHBondContact O-N 2.84Å; E102-I105 VanDerWaalsContact O-N 3.12Å; E102-D106 WeakPolarHBondContact O-CB 3.3Å; E102-D106 PolarHBondContact O-N 3.18Å
103	Q	98.4	Very high	96.7	Very high	93 Å²	93	62.7 Å²	62.7	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-56.3	-41.6	176.1	-177.9	-177	2.6	0	0	112.4	I88 K99 V101 L107	I88-Q103 HydrophobicContact CD1-CG 4.19Å; K99-Q103 VanDerWaalsContact O-CB 3.27Å; K99-Q103 WeakPolarHBondContact O-CB 3.34Å; K99-Q103 PolarHBondContact O-N 3.47Å; V101-Q103 PolarHBondContact O-N 3.44Å; Q103-L107 WeakPolarHBondContact O-CB 3.3Å; Q103-L107 PolarHBondContact O-N 2.85Å; Q103-L107 VanDerWaalsContact O-N 3.1Å
104	F	98.7	Very high	97.1	Very high	1 Å²	1	62.1 Å²	62.1	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-66.7	-44.9	177.9	179.2	-98.2	0	0	0	111.6	I65 L67 I88 T100 V101 E102 L107 V108 V122 L134 I135	I65-F104 HydrophobicContact CD1-CD2 4.48Å; I65-F104 HydrophobicContact CD1-CE2 4.04Å; I65-F104 HydrophobicContact CG2-CD2 4.25Å; I65-F104 HydrophobicContact CG2-CE2 4.15Å; L67-F104 HydrophobicContact CD2-CD2 4.28Å; I88-F104 HydrophobicContact CD1-CB 4.04Å; I88-F104 HydrophobicContact CD1-CD2 4.07Å; T100-F104 WeakPolarHBondContact O-CB 3.27Å; T100-F104 PolarHBondContact O-N 2.87Å; V101-F104 WeakPolarHBondContact O-CB 3.41Å; V101-F104 PolarHBondContact O-N 2.99Å; V101-F104 VanDerWaalsContact O-N 3.15Å; E102-F104 VanDerWaalsContact C-N 3.27Å; E102-F104 PolarHBondContact O-N 2.86Å; F104-L107 PolarHBondContact O-N 3.18Å; F104-V108 HydrophobicContact CD1-CG2 4.28Å; F104-V108 HydrophobicContact CD2-CG2 4.46Å; F104-V108 HydrophobicContact CE1-CG2 3.88Å; F104-V108 HydrophobicContact CE2-CG2 4.07Å; F104-V108 HydrophobicContact CZ-CG2 3.77Å; F104-V108 VanDerWaalsContact O-CG2 3.3Å; F104-V108 WeakPolarHBondContact O-CG2 3.49Å; F104-V108 PolarHBondContact O-N 3.01Å; F104-V122 HydrophobicContact CE2-CG1 3.75Å; F104-V122 HydrophobicContact CE2-CG2 4.21Å; F104-V122 HydrophobicContact CZ-CG1 4.1Å; F104-V122 HydrophobicContact CZ-CG2 4.19Å; F104-L134 HydrophobicContact CB-CD1 4.2Å; F104-L134 HydrophobicContact CB-CD2 4.34Å; F104-L134 HydrophobicContact CD1-CB 3.8Å; F104-L134 WeakPolarHBondContact CD1-O 3.47Å; F104-L134 HydrophobicContact CD2-CB 4.18Å; F104-L134 HydrophobicContact CD2-CD1 4.06Å; F104-L134 HydrophobicContact CE1-CB 3.95Å; F104-L134 VanDerWaalsContact CE1-O 3.27Å; F104-L134 WeakPolarHBondContact CE1-O 3.16Å; F104-L134 HydrophobicContact CE2-CB 4.33Å; F104-L134 HydrophobicContact CG-CB 3.91Å; F104-L134 HydrophobicContact CG-CD1 4.11Å; F104-L134 HydrophobicContact CG-CG 4.43Å; F104-L134 HydrophobicContact CZ-CB 4.21Å; F104-I135 HydrophobicContact CZ-CG1 4.12Å
105	I	98.6	Very high	97.3	Very high	19 Å²	19	62 Å²	62	10%	0.097	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-49.7	179.5	-68.4	170.6	0	0	0	110.8	V101 E102 L107 V108 N109 Y138 D141 F142	V101-I105 HydrophobicContact CG1-CD1 3.78Å; V101-I105 HydrophobicContact CG1-CG1 4.44Å; V101-I105 WeakPolarHBondContact O-CG1 3.47Å; V101-I105 PolarHBondContact O-N 2.94Å; E102-I105 PolarHBondContact O-N 2.84Å; E102-I105 VanDerWaalsContact O-N 3.12Å; I105-L107 VanDerWaalsContact C-N 3.29Å; I105-L107 PolarHBondContact O-N 3.3Å; I105-V108 PolarHBondContact O-N 3.25Å; I105-N109 PolarHBondContact O-N 3.32Å; I105-N109 PolarHBondContact O-ND2 2.79Å; I105-Y138 HydrophobicContact CB-CD2 4.41Å; I105-Y138 HydrophobicContact CG1-CD2 4.13Å; I105-Y138 HydrophobicContact CG2-CD2 4.26Å; I105-D141 HydrophobicContact CD1-CB 3.88Å; I105-F142 HydrophobicContact CG2-CB 4.05Å; I105-F142 HydrophobicContact CG2-CD2 4.19Å; I105-F142 HydrophobicContact CG2-CG 4.3Å
106	D	98.5	Very high	97.3	Very high	95 Å²	95	63.7 Å²	63.7	51%	0.508	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-43.6	179.4	-71.3	-13.1	0	0	0	111.4	E102 N109 K110	E102-D106 WeakPolarHBondContact O-CB 3.3Å; E102-D106 PolarHBondContact O-N 3.18Å; D106-N109 PolarHBondContact O-N 2.7Å; D106-K110 VanDerWaalsContact O-CB 3.31Å; D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 PolarHBondContact O-N 2.95Å
107	L	98.5	Very high	97.4	Very high	17 Å²	17	69 Å²	69	9%	0.089	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-47.6	178.1	175.8	62	0	0	0	111.8	I65 H86 I88 Q103 F104 I105 N109 K110 E111	I65-L107 HydrophobicContact CD1-CD2 3.73Å; I65-L107 HydrophobicContact CD1-CG 4.08Å; I65-L107 HydrophobicContact CG1-CD2 3.93Å; I65-L107 HydrophobicContact CG2-CD2 4.21Å; H86-L107 HydrophobicContact CB-CD1 4.29Å; H86-L107 HydrophobicContact CB-CD2 3.43Å; H86-L107 VanDerWaalsContact CB-CD2 3.43Å; H86-L107 HydrophobicContact CB-CG 4.47Å; H86-L107 VanDerWaalsContact CE1-CD1 3.5Å; H86-L107 WeakPolarHBondContact CE1-CD1 3.47Å; I88-L107 HydrophobicContact CD1-CD2 4.07Å; Q103-L107 WeakPolarHBondContact O-CB 3.3Å; Q103-L107 PolarHBondContact O-N 2.85Å; Q103-L107 VanDerWaalsContact O-N 3.1Å; F104-L107 PolarHBondContact O-N 3.18Å; I105-L107 VanDerWaalsContact C-N 3.29Å; I105-L107 PolarHBondContact O-N 3.3Å; L107-N109 VanDerWaalsContact C-N 3.31Å; L107-N109 PolarHBondContact O-N 3.05Å; L107-K110 PolarHBondContact O-N 3.38Å; L107-E111 HydrophobicContact CD1-CG 3.95Å; L107-E111 HydrophobicContact CG-CG 4.48Å; L107-E111 VanDerWaalsContact O-CG 3.32Å; L107-E111 WeakPolarHBondContact O-CG 3.3Å; L107-E111 PolarHBondContact O-N 3.39Å
108	V	98.6	Very high	97.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-44.5	178.8	167.9	0	0	0	0	110.7	L24 I65 F104 I105 E111 R112 I120 Y138	L24-V108 HydrophobicContact CD1-CG1 4.22Å; L24-V108 HydrophobicContact CD2-CB 4.44Å; L24-V108 HydrophobicContact CD2-CG1 3.84Å; L24-V108 HydrophobicContact CD2-CG2 3.68Å; L24-V108 HydrophobicContact CG-CG1 4.28Å; I65-V108 HydrophobicContact CD1-CG2 3.91Å; F104-V108 HydrophobicContact CD1-CG2 4.28Å; F104-V108 HydrophobicContact CD2-CG2 4.46Å; F104-V108 HydrophobicContact CE1-CG2 3.88Å; F104-V108 HydrophobicContact CE2-CG2 4.07Å; F104-V108 HydrophobicContact CZ-CG2 3.77Å; F104-V108 VanDerWaalsContact O-CG2 3.3Å; F104-V108 WeakPolarHBondContact O-CG2 3.49Å; F104-V108 PolarHBondContact O-N 3.01Å; I105-V108 PolarHBondContact O-N 3.25Å; V108-E111 PolarHBondContact O-N 2.88Å; V108-R112 HydrophobicContact CG1-CG 4.41Å; V108-R112 WeakPolarHBondContact O-CB 3.31Å; V108-R112 VanDerWaalsContact O-CG 3.27Å; V108-R112 WeakPolarHBondContact O-CG 3.2Å; V108-R112 PolarHBondContact O-N 2.73Å; V108-I120 HydrophobicContact CG1-CD1 4.42Å; V108-Y138 HydrophobicContact CB-CD2 4.18Å; V108-Y138 HydrophobicContact CB-CE2 4.02Å; V108-Y138 HydrophobicContact CG1-CD2 3.96Å; V108-Y138 HydrophobicContact CG1-CE1 4.34Å; V108-Y138 HydrophobicContact CG1-CE2 3.48Å; V108-Y138 VanDerWaalsContact CG1-CE2 3.48Å
109	N	98.1	Very high	97.7	Very high	23 Å²	23	60.3 Å²	60.3	12%	0.123	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-45.7	179	-74.3	-31.8	0	0	0	111.9	I105 D106 L107 E111 R112 E113 Y138 F142	I105-N109 PolarHBondContact O-N 3.32Å; I105-N109 PolarHBondContact O-ND2 2.79Å; D106-N109 PolarHBondContact O-N 2.7Å; L107-N109 VanDerWaalsContact C-N 3.31Å; L107-N109 PolarHBondContact O-N 3.05Å; N109-E111 PolarHBondContact O-N 2.82Å; N109-R112 PolarHBondContact O-N 2.82Å; N109-E113 WeakPolarHBondContact O-CG 3.4Å; N109-E113 PolarHBondContact O-N 3.02Å; N109-Y138 PolarHBondContact OD1-OH 2.95Å; N109-F142 WeakPolarHBondContact ND2-CD2 3.46Å; N109-F142 WeakPolarHBondContact ND2-CE2 3.38Å; N109-F142 WeakPolarHBondContact ND2-CZ 3.45Å; N109-F142 WeakPolarHBondContact OD1-CE1 3.3Å; N109-F142 VanDerWaalsContact OD1-CZ 3.24Å; N109-F142 WeakPolarHBondContact OD1-CZ 3.38Å
110	K	98.2	Very high	97.8	Very high	107 Å²	107	52.9 Å²	52.9	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-56.4	-48.3	175.1	177.1	-177.4	172.9	-176.6	0	112.3	D106 L107 R112 E113 Q114	D106-K110 VanDerWaalsContact O-CB 3.31Å; D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 PolarHBondContact O-N 2.95Å; L107-K110 PolarHBondContact O-N 3.38Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 2.94Å; K110-E113 PolarHBondContact O-N 3.33Å; K110-Q114 WeakPolarHBondContact O-CG 3.43Å; K110-Q114 PolarHBondContact O-N 3.48Å
111	E	98.3	Very high	97.9	Very high	7 Å²	7	52 Å²	52	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-68.5	-33.6	-178.7	-65.5	-69.4	143.9	0	0	111.7	C63 S84 H86 L107 V108 N109 Q114 S115 I120	C63-E111 HydrophobicContact CB-CB 4.49Å; C63-E111 HydrophobicContact CB-CG 4.32Å; S84-E111 PolarHBondContact OG-OE2 2.95Å; H86-E111 IonicContact CD2-OE1 2.7Å; H86-E111 IonicContact CE1-OE1 3.84Å; H86-E111 IonicContact NE2-OE1 3.16Å; H86-E111 PolarHBondContact NE2-OE1 3.35Å; L107-E111 HydrophobicContact CD1-CG 3.95Å; L107-E111 HydrophobicContact CG-CG 4.48Å; L107-E111 VanDerWaalsContact O-CG 3.32Å; L107-E111 WeakPolarHBondContact O-CG 3.3Å; L107-E111 PolarHBondContact O-N 3.39Å; V108-E111 PolarHBondContact O-N 2.88Å; N109-E111 PolarHBondContact O-N 2.82Å; E111-Q114 PolarHBondContact O-N 3.22Å; E111-S115 PolarHBondContact O-N 3Å; E111-I120 HydrophobicContact CB-CD1 3.73Å; E111-I120 HydrophobicContact CB-CG1 4.29Å
112	R	96.4	Very high	98	Very high	82 Å²	82	51.9 Å²	51.9	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-67.8	-36.8	172.9	-74.9	-178.1	66.7	-132.2	-6.9	112.8	V108 N109 K110 S115 P116 I120 Y138	V108-R112 HydrophobicContact CG1-CG 4.41Å; V108-R112 WeakPolarHBondContact O-CB 3.31Å; V108-R112 VanDerWaalsContact O-CG 3.27Å; V108-R112 WeakPolarHBondContact O-CG 3.2Å; V108-R112 PolarHBondContact O-N 2.73Å; N109-R112 PolarHBondContact O-N 2.82Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 2.94Å; R112-S115 CarbonylContact O-C 3.56Å; R112-S115 VanDerWaalsContact O-C 3.32Å; R112-P116 WeakPolarHBondContact O-CA 3.22Å; R112-P116 VanDerWaalsContact O-N 3.09Å; R112-I120 HydrophobicContact CG-CD1 3.79Å; R112-Y138 PolarHBondContact NH1-OH 3.12Å
113	E	97	Very high	98	Very high	158 Å²	158	46.2 Å²	46.2	74%	0.738	23%	0.232	S	C	*	.	H	α-helix	trans	-66.6	-40.1	174	-73.8	172.2	-172.3	0	0	111.4	N109 K110	N109-E113 WeakPolarHBondContact O-CG 3.4Å; N109-E113 PolarHBondContact O-N 3.02Å; K110-E113 PolarHBondContact O-N 3.33Å
114	Q	97.4	Very high	98	Very high	117 Å²	117	41.9 Å²	41.9	55%	0.547	21%	0.212	S	C	.	.	H	α-helix	trans	-72.6	-30.3	178.4	-70.4	-179.6	-3	0	0	113.4	K110 E111	K110-Q114 WeakPolarHBondContact O-CG 3.43Å; K110-Q114 PolarHBondContact O-N 3.48Å; E111-Q114 PolarHBondContact O-N 3.22Å
115	S	97	Very high	97.9	Very high	41 Å²	41	42.5 Å²	42.5	29%	0.287	22%	0.216	S	C	.	.			trans	-144.8	80.8	-180	-71.4	0	0	0	0	110.8	E111 R112 D117 G118	E111-S115 PolarHBondContact O-N 3Å; R112-S115 CarbonylContact O-C 3.56Å; R112-S115 VanDerWaalsContact O-C 3.32Å; S115-D117 PolarHBondContact O-N 3.3Å; S115-D117 VanDerWaalsContact O-N 3.13Å; S115-G118 PolarHBondContact O-N 3.33Å
116	P	96.3	Very high	97.8	Very high	85 Å²	85	42.9 Å²	42.9	55%	0.552	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.4	-175.1	-29.3	36.5	0	0	0	115.1	R23 R112	R23-P116 PolarHBondContact NE-O 3.31Å; R112-P116 WeakPolarHBondContact O-CA 3.22Å; R112-P116 VanDerWaalsContact O-N 3.09Å
117	D	96.2	Very high	97.8	Very high	120 Å²	120	38.4 Å²	38.4	64%	0.642	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	0.8	177.6	-65.1	-48.4	0	0	0	113.9	R23 S115	R23-D117 IonicContact NH2-OD1 2.85Å; R23-D117 PolarHBondContact NH2-OD1 2.98Å; S115-D117 PolarHBondContact O-N 3.3Å; S115-D117 VanDerWaalsContact O-N 3.13Å
118	G	98.2	Very high	97.8	Very high	4 Å²	4	37.6 Å²	37.6	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.2	-179.6	0	0	0	0	0	112.5	R23 T62 S115	R23-G118 WeakPolarHBondContact CB-O 3.37Å; T62-G118 WeakPolarHBondContact OG1-CA 3.34Å; S115-G118 PolarHBondContact O-N 3.33Å
119	I	98.7	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.9	171.8	-66.8	-58.9	0	0	0	109.9	P18 R23 L25 V54 Q59 K60 L61 T62 C63	P18-I119 HydrophobicContact CB-CD1 4.24Å; P18-I119 HydrophobicContact CG-CD1 3.71Å; R23-I119 HydrophobicContact CB-CD1 4.35Å; L25-I119 HydrophobicContact CB-CG2 3.65Å; L25-I119 HydrophobicContact CD2-CG2 3.87Å; L25-I119 HydrophobicContact CG-CG2 4.42Å; V54-I119 HydrophobicContact CG1-CB 4.14Å; V54-I119 HydrophobicContact CG1-CG1 4.02Å; V54-I119 HydrophobicContact CG1-CG2 4.49Å; V54-I119 HydrophobicContact CG2-CG2 4.37Å; Q59-I119 HydrophobicContact CB-CG1 3.9Å; K60-I119 PolarHBondContact O-N 2.91Å; L61-I119 HydrophobicContact CD1-CB 4.48Å; L61-I119 HydrophobicContact CD1-CG2 4.05Å; T62-I119 PolarHBondContact N-O 2.63Å; T62-I119 PolarHBondContact OG1-O 2.92Å; C63-I119 PolarHBondContact N-O 3.06Å
120	I	98.8	Very high	97.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	102.9	174.2	-57.5	171.1	0	0	0	107.1	R23 L24 L25 C63 I65 V108 E111 R112 V122	R23-I120 PolarHBondContact O-N 2.92Å; L24-I120 WeakPolarHBondContact CA-O 3.33Å; L24-I120 HydrophobicContact CD2-CB 4.06Å; L24-I120 HydrophobicContact CD2-CD1 4.5Å; L24-I120 HydrophobicContact CD2-CG2 3.93Å; L25-I120 PolarHBondContact N-O 3.37Å; C63-I120 HydrophobicContact CB-CB 4.33Å; C63-I120 HydrophobicContact CB-CG1 4.06Å; C63-I120 HydrophobicContact CB-CG2 4.07Å; I65-I120 HydrophobicContact CD1-CG2 3.63Å; I65-I120 HydrophobicContact CG1-CG2 3.92Å; V108-I120 HydrophobicContact CG1-CD1 4.42Å; E111-I120 HydrophobicContact CB-CD1 3.73Å; E111-I120 HydrophobicContact CB-CG1 4.29Å; R112-I120 HydrophobicContact CG-CD1 3.79Å; I120-V122 HydrophobicContact CG2-CG2 4.2Å
121	A	98.9	Very high	97.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.3	174.3	0	0	0	0	0	110.1	L25 I27 L50 L61 C63 V64 I65	L25-A121 CarbonylContact O-C 3.51Å; L25-A121 WeakPolarHBondContact O-CA 3.46Å; I27-A121 HydrophobicContact CD1-CB 3.91Å; I27-A121 HydrophobicContact CG1-CB 4.48Å; L50-A121 HydrophobicContact CD2-CB 4.01Å; L61-A121 HydrophobicContact CD1-CB 3.68Å; C63-A121 PolarHBondContact O-N 2.97Å; V64-A121 CarbonylContact C-O 3.44Å; V64-A121 WeakPolarHBondContact CA-O 3.48Å; V64-A121 HydrophobicContact CG2-CB 4.33Å; I65-A121 PolarHBondContact N-O 2.87Å
122	V	98.9	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.7	178.6	-172	0	0	0	0	108.9	L24 L25 P26 I27 I65 L67 F104 I120 T131 I135	L24-V122 HydrophobicContact CD2-CG2 3.77Å; L25-V122 PolarHBondContact O-N 2.91Å; P26-V122 WeakPolarHBondContact CA-O 3.19Å; I27-V122 PolarHBondContact N-O 3.48Å; I65-V122 HydrophobicContact CB-CG1 4.34Å; I65-V122 HydrophobicContact CB-CG2 4.31Å; I65-V122 HydrophobicContact CD1-CG2 4.3Å; L67-V122 HydrophobicContact CD1-CG1 3.66Å; L67-V122 HydrophobicContact CG-CG1 4.12Å; F104-V122 HydrophobicContact CE2-CG1 3.75Å; F104-V122 HydrophobicContact CE2-CG2 4.21Å; F104-V122 HydrophobicContact CZ-CG1 4.1Å; F104-V122 HydrophobicContact CZ-CG2 4.19Å; I120-V122 HydrophobicContact CG2-CG2 4.2Å; V122-T131 HydrophobicContact CB-CG2 4.2Å; V122-T131 HydrophobicContact CG1-CG2 4.01Å; V122-T131 WeakPolarHBondContact O-CG2 3.23Å; V122-I135 HydrophobicContact CB-CD1 4.32Å
123	H	98.7	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155	-177.8	82.6	86.6	0	0	0	112.9	I27 I65 D66 L67 Y73	I27-H123 HydrophobicContact CD1-CB 4.23Å; I27-H123 HydrophobicContact CG1-CB 3.5Å; I27-H123 WeakPolarHBondContact O-CA 3.42Å; I27-H123 VanDerWaalsContact O-CB 3.23Å; I27-H123 WeakPolarHBondContact O-CB 3.44Å; I65-H123 PolarHBondContact O-N 3.34Å; D66-H123 WeakPolarHBondContact CB-NE2 3.44Å; D66-H123 IonicContact OD1-CE1 2.71Å; D66-H123 PolarHBondContact OD1-CE1 3.4Å; D66-H123 IonicContact OD1-ND1 2.84Å; D66-H123 IonicContact OD1-NE2 3.2Å; L67-H123 VanDerWaalsContact CB-O 3.23Å; L67-H123 WeakPolarHBondContact CB-O 3.26Å; L67-H123 WeakPolarHBondContact CG-O 3.49Å; L67-H123 PolarHBondContact N-O 2.57Å; Y73-H123 AromaticContact CE1-CE1 3.8Å; Y73-H123 AromaticContact CE1-NE2 3.61Å; Y73-H123 AromaticContact CZ-NE2 3.55Å; Y73-H123 PolarHBondContact OH-NE2 3.47Å
124	C	97.4	Very high	97.9	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	12%	0.121	C	C	.	.			trans	-122.5	-139	160.1	60.9	0	0	0	0	107.4	L67 T68 G127 R130 T131	L67-C124 HydrophobicContact CB-CB 4.12Å; T68-C124 WeakPolarHBondContact CG2-O 3.43Å; C124-G127 PolarHBondContact SG-N 3.3Å; C124-R130 HydrophobicContact CB-CB 3.89Å; C124-T131 PolarHBondContact N-OG1 3.45Å; C124-T131 VanDerWaalsContact N-OG1 3.1Å; C124-T131 PolarHBondContact SG-OG1 3.27Å
125	T	96.9	Very high	98	Very high	15 Å²	15	16.5 Å²	16.5	9%	0.092	10%	0.095	C	C	.	.	S	Bend	trans	-72.7	-50.8	174.4	-56.1	0	0	0	0	111.1	P6 L29 R130	P6-T125 HydrophobicContact CB-CG2 3.49Å; P6-T125 VanDerWaalsContact CB-CG2 3.49Å; P6-T125 HydrophobicContact CG-CG2 3.84Å; L29-T125 VanDerWaalsContact CB-O 3.28Å; L29-T125 WeakPolarHBondContact CB-O 3.49Å; L29-T125 PolarHBondContact N-O 3.42Å; L29-T125 VanDerWaalsContact N-O 3.09Å; T125-R130 PolarHBondContact OG1-NH2 3.3Å
126	H	97.3	Very high	98.1	Very high	27 Å²	27	14.6 Å²	14.6	13%	0.125	8%	0.081	C	C	.	.	S	Bend	trans	-105.3	-12.4	-176.1	-51.2	99.4	0	0	0	113.2	D7 Y12 K28 V128 R158	D7-H126 PolarHBondContact O-NE2 2.87Å; Y12-H126 HydrophobicContact CD1-CB 4.47Å; Y12-H126 HydrophobicContact CD2-CB 3.64Å; Y12-H126 AromaticContact CD2-CD2 3.52Å; Y12-H126 AromaticContact CD2-CG 3.88Å; Y12-H126 HydrophobicContact CE1-CB 4.48Å; Y12-H126 HydrophobicContact CE2-CB 3.65Å; Y12-H126 AromaticContact CE2-CD2 3.32Å; Y12-H126 WeakPolarHBondContact CE2-CD2 3.46Å; Y12-H126 AromaticContact CE2-CG 3.59Å; Y12-H126 HydrophobicContact CG-CB 4.06Å; K28-H126 WeakPolarHBondContact CB-O 3.37Å; H126-V128 VanDerWaalsContact C-N 3.29Å; H126-V128 HydrophobicContact CB-CG2 4.43Å; H126-R158 PolarHBondContact O-NH2 2.79Å
127	G	98	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	75	18.2	-175.2	0	0	0	0	0	114	I27 C124 R158	I27-G127 WeakPolarHBondContact O-CA 3.49Å; C124-G127 PolarHBondContact SG-N 3.3Å; G127-R158 VanDerWaalsContact O-CD 3.25Å; G127-R158 WeakPolarHBondContact O-CD 3.32Å; G127-R158 PolarHBondContact O-NE 3Å; G127-R158 VanDerWaalsContact O-NE 3.08Å
128	V	98.2	Very high	98.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	S	Bend	trans	-114	-69.7	-171.3	174.2	0	0	0	0	111.8	Y12 H126 G132 H160 P161 E163	Y12-V128 HydrophobicContact CD1-CG2 3.51Å; Y12-V128 HydrophobicContact CE1-CB 4.36Å; Y12-V128 HydrophobicContact CE1-CG2 3.56Å; Y12-V128 HydrophobicContact CG-CG2 4.41Å; H126-V128 VanDerWaalsContact C-N 3.29Å; H126-V128 HydrophobicContact CB-CG2 4.43Å; V128-G132 VanDerWaalsContact O-CA 3.26Å; V128-G132 WeakPolarHBondContact O-CA 3.3Å; V128-G132 PolarHBondContact O-N 3.44Å; V128-H160 HydrophobicContact CG2-CB 3.82Å; V128-P161 WeakPolarHBondContact CG1-O 3.49Å; V128-E163 HydrophobicContact CG1-CG 4.08Å
129	N	97.9	Very high	98.3	Very high	22 Å²	22	6.1 Å²	6.1	12%	0.118	3%	0.028	C	C	.	.	H	α-helix	trans	-75.8	-63.6	-167.7	-68.1	-54.9	0	0	0	113.8	T131 G132 Y133 E163 R164 Y167	N129-T131 VanDerWaalsContact C-N 3.34Å; N129-T131 PolarHBondContact O-N 3.16Å; N129-G132 PolarHBondContact O-N 2.7Å; N129-Y133 WeakPolarHBondContact O-CB 3.33Å; N129-Y133 PolarHBondContact O-N 2.88Å; N129-E163 PolarHBondContact OD1-N 2.68Å; N129-R164 HydrophobicContact CB-CB 4.28Å; N129-R164 WeakPolarHBondContact OD1-CB 3.23Å; N129-R164 PolarHBondContact OD1-N 3.47Å; N129-Y167 HydrophobicContact CB-CD2 4.09Å; N129-Y167 HydrophobicContact CB-CE2 3.97Å; N129-Y167 WeakPolarHBondContact O-CD2 3.26Å
130	R	98.1	Very high	98.2	Very high	29 Å²	29	6.5 Å²	6.5	11%	0.109	3%	0.03	C	C	.	.	H	α-helix	trans	-64.8	-40.5	179.6	-72.4	166.4	-75	-179	-2.6	112	V90 C124 T125 L134 Y167	V90-R130 HydrophobicContact CB-CG 4.28Å; V90-R130 HydrophobicContact CG1-CB 4.22Å; V90-R130 HydrophobicContact CG1-CG 3.7Å; V90-R130 WeakPolarHBondContact O-CD 3.29Å; V90-R130 PolarHBondContact O-NH1 2.87Å; C124-R130 HydrophobicContact CB-CB 3.89Å; T125-R130 PolarHBondContact OG1-NH2 3.3Å; R130-L134 PolarHBondContact O-N 3.46Å; R130-L134 VanDerWaalsContact O-N 3.12Å; R130-Y167 HydrophobicContact CG-CE2 4.23Å
131	T	98.5	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.5	-53.1	175.2	-57.7	0	0	0	0	110.9	P26 V122 C124 N129 Y133 L134 I135 F154	P26-T131 HydrophobicContact CB-CG2 3.7Å; V122-T131 HydrophobicContact CB-CG2 4.2Å; V122-T131 HydrophobicContact CG1-CG2 4.01Å; V122-T131 WeakPolarHBondContact O-CG2 3.23Å; C124-T131 PolarHBondContact N-OG1 3.45Å; C124-T131 VanDerWaalsContact N-OG1 3.1Å; C124-T131 PolarHBondContact SG-OG1 3.27Å; N129-T131 VanDerWaalsContact C-N 3.34Å; N129-T131 PolarHBondContact O-N 3.16Å; T131-Y133 PolarHBondContact O-N 3.39Å; T131-L134 PolarHBondContact O-N 2.86Å; T131-I135 HydrophobicContact CG2-CD1 3.76Å; T131-I135 WeakPolarHBondContact O-CB 3.25Å; T131-I135 VanDerWaalsContact O-CG1 3.3Å; T131-I135 WeakPolarHBondContact O-CG1 3.46Å; T131-I135 PolarHBondContact O-N 3.24Å; T131-F154 HydrophobicContact CG2-CE2 4.19Å
132	G	98.5	Very high	97.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.4	-39.6	-179.7	0	0	0	0	0	112.8	V128 N129 L134 C136	V128-G132 VanDerWaalsContact O-CA 3.26Å; V128-G132 WeakPolarHBondContact O-CA 3.3Å; V128-G132 PolarHBondContact O-N 3.44Å; N129-G132 PolarHBondContact O-N 2.7Å; G132-L134 PolarHBondContact O-N 3.48Å; G132-C136 WeakPolarHBondContact O-CB 3.48Å; G132-C136 PolarHBondContact O-N 3.04Å; G132-C136 PolarHBondContact O-SG 3.05Å
133	Y	98.5	Very high	97.8	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-57.7	-53.1	174.9	-178.2	-90	0	0	0	112	V95 P96 V101 N129 T131 C136 R137 Y167 D170 L171	V95-Y133 HydrophobicContact CG1-CE1 4.42Å; V95-Y133 HydrophobicContact CG1-CE2 3.85Å; V95-Y133 VanDerWaalsContact CG1-OH 3.3Å; V95-Y133 WeakPolarHBondContact CG1-OH 3.34Å; P96-Y133 HydrophobicContact CB-CD1 3.97Å; P96-Y133 HydrophobicContact CB-CE1 3.75Å; P96-Y133 HydrophobicContact CG-CD1 3.46Å; P96-Y133 VanDerWaalsContact CG-CD1 3.46Å; P96-Y133 HydrophobicContact CG-CE1 3.7Å; P96-Y133 HydrophobicContact CG-CG 4.25Å; V101-Y133 HydrophobicContact CG2-CE1 3.96Å; N129-Y133 WeakPolarHBondContact O-CB 3.33Å; N129-Y133 PolarHBondContact O-N 2.88Å; T131-Y133 PolarHBondContact O-N 3.39Å; Y133-C136 PolarHBondContact O-N 3.11Å; Y133-R137 HydrophobicContact CD1-CG 4.06Å; Y133-R137 HydrophobicContact CE1-CG 3.63Å; Y133-R137 HydrophobicContact CE2-CG 4.41Å; Y133-R137 WeakPolarHBondContact O-CG 3.39Å; Y133-R137 PolarHBondContact O-N 3.26Å; Y133-R137 PolarHBondContact OH-NH1 3.48Å; Y133-Y167 HydrophobicContact CD2-CD2 4.3Å; Y133-Y167 HydrophobicContact CD2-CG 4.03Å; Y133-Y167 HydrophobicContact CG-CD2 4.24Å; Y133-Y167 HydrophobicContact CG-CG 4.41Å; Y133-D170 HydrophobicContact CE2-CB 4.38Å; Y133-D170 WeakPolarHBondContact CE2-OD2 3.48Å; Y133-D170 PolarHBondContact OH-OD2 3.35Å; Y133-L171 HydrophobicContact CD2-CD1 4.06Å; Y133-L171 HydrophobicContact CD2-CD2 4.22Å; Y133-L171 HydrophobicContact CD2-CG 3.82Å; Y133-L171 HydrophobicContact CE2-CD2 4.23Å; Y133-L171 HydrophobicContact CE2-CG 3.94Å
134	L	98.6	Very high	97.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.2	-35.9	-176.8	-71.1	-178.6	0	0	0	113.1	L67 V90 P96 T100 V101 F104 R130 T131 G132 R137 Y138	L67-L134 HydrophobicContact CD1-CD1 3.87Å; L67-L134 HydrophobicContact CD2-CD1 3.62Å; L67-L134 HydrophobicContact CG-CD1 4.33Å; V90-L134 HydrophobicContact CG2-CD1 3.97Å; P96-L134 HydrophobicContact CB-CD2 4.15Å; P96-L134 HydrophobicContact CG-CD2 4.48Å; T100-L134 HydrophobicContact CG2-CD1 4.31Å; T100-L134 HydrophobicContact CG2-CD2 4.32Å; V101-L134 HydrophobicContact CG2-CD2 3.88Å; F104-L134 HydrophobicContact CB-CD1 4.2Å; F104-L134 HydrophobicContact CB-CD2 4.34Å; F104-L134 HydrophobicContact CD1-CB 3.8Å; F104-L134 WeakPolarHBondContact CD1-O 3.47Å; F104-L134 HydrophobicContact CD2-CB 4.18Å; F104-L134 HydrophobicContact CD2-CD1 4.06Å; F104-L134 HydrophobicContact CE1-CB 3.95Å; F104-L134 VanDerWaalsContact CE1-O 3.27Å; F104-L134 WeakPolarHBondContact CE1-O 3.16Å; F104-L134 HydrophobicContact CE2-CB 4.33Å; F104-L134 HydrophobicContact CG-CB 3.91Å; F104-L134 HydrophobicContact CG-CD1 4.11Å; F104-L134 HydrophobicContact CG-CG 4.43Å; F104-L134 HydrophobicContact CZ-CB 4.21Å; R130-L134 PolarHBondContact O-N 3.46Å; R130-L134 VanDerWaalsContact O-N 3.12Å; T131-L134 PolarHBondContact O-N 2.86Å; G132-L134 PolarHBondContact O-N 3.48Å; L134-R137 PolarHBondContact O-N 2.95Å; L134-Y138 PolarHBondContact O-N 2.91Å
135	I	98.7	Very high	97.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-47.5	172.3	-71.2	178.1	0	0	0	110.3	V19 L24 P26 F104 V122 T131 R137 Y138 L139 F154	V19-I135 HydrophobicContact CG2-CG2 3.97Å; L24-I135 HydrophobicContact CB-CD1 4.49Å; L24-I135 HydrophobicContact CD1-CG1 4.37Å; P26-I135 HydrophobicContact CB-CD1 3.81Å; P26-I135 HydrophobicContact CG-CD1 4.46Å; F104-I135 HydrophobicContact CZ-CG1 4.12Å; V122-I135 HydrophobicContact CB-CD1 4.32Å; T131-I135 HydrophobicContact CG2-CD1 3.76Å; T131-I135 WeakPolarHBondContact O-CB 3.25Å; T131-I135 VanDerWaalsContact O-CG1 3.3Å; T131-I135 WeakPolarHBondContact O-CG1 3.46Å; T131-I135 PolarHBondContact O-N 3.24Å; I135-R137 VanDerWaalsContact C-N 3.29Å; I135-R137 PolarHBondContact O-N 2.98Å; I135-Y138 WeakPolarHBondContact O-CB 3.3Å; I135-Y138 PolarHBondContact O-N 2.81Å; I135-Y138 VanDerWaalsContact O-N 3.1Å; I135-L139 HydrophobicContact CG2-CD1 4.26Å; I135-L139 HydrophobicContact CG2-CG 4.41Å; I135-L139 WeakPolarHBondContact O-CG 3.19Å; I135-L139 PolarHBondContact O-N 3.16Å; I135-F154 HydrophobicContact CB-CD2 4.2Å; I135-F154 HydrophobicContact CD1-CD2 4.21Å; I135-F154 HydrophobicContact CD1-CE2 4.13Å; I135-F154 HydrophobicContact CG2-CD2 4.06Å
136	C	98.6	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-40.8	176.7	-71.2	0	0	0	0	111.4	G132 Y133 Y138 L139 T140 A150 L171	G132-C136 WeakPolarHBondContact O-CB 3.48Å; G132-C136 PolarHBondContact O-N 3.04Å; G132-C136 PolarHBondContact O-SG 3.05Å; Y133-C136 PolarHBondContact O-N 3.11Å; C136-Y138 VanDerWaalsContact C-N 3.34Å; C136-Y138 PolarHBondContact O-N 2.87Å; C136-L139 PolarHBondContact O-N 3.2Å; C136-T140 WeakPolarHBondContact O-CG2 3.35Å; C136-T140 PolarHBondContact O-N 2.89Å; C136-T140 PolarHBondContact O-OG1 3.38Å; C136-T140 VanDerWaalsContact O-OG1 3.1Å; C136-A150 HydrophobicContact CB-CB 4.19Å; C136-A150 PolarHBondContact SG-O 2.54Å; C136-L171 HydrophobicContact CB-CD1 3.7Å; C136-L171 HydrophobicContact CB-CD2 3.64Å; C136-L171 HydrophobicContact CB-CG 4.34Å
137	R	98.2	Very high	97.6	Very high	32 Å²	32	27.6 Å²	27.6	12%	0.121	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-38.6	173.6	-70.9	-59.7	-63.8	-91.2	-3.2	112.9	V101 Y133 L134 I135 T140 D141 D170 L171	V101-R137 HydrophobicContact CG1-CB 3.7Å; V101-R137 HydrophobicContact CG1-CG 4.18Å; V101-R137 HydrophobicContact CG2-CB 4.37Å; V101-R137 HydrophobicContact CG2-CG 4.07Å; Y133-R137 HydrophobicContact CD1-CG 4.06Å; Y133-R137 HydrophobicContact CE1-CG 3.63Å; Y133-R137 HydrophobicContact CE2-CG 4.41Å; Y133-R137 WeakPolarHBondContact O-CG 3.39Å; Y133-R137 PolarHBondContact O-N 3.26Å; Y133-R137 PolarHBondContact OH-NH1 3.48Å; L134-R137 PolarHBondContact O-N 2.95Å; I135-R137 VanDerWaalsContact C-N 3.29Å; I135-R137 PolarHBondContact O-N 2.98Å; R137-T140 WeakPolarHBondContact CA-OG1 3.15Å; R137-T140 PolarHBondContact O-N 2.88Å; R137-T140 PolarHBondContact O-OG1 3.45Å; R137-D141 IonicContact CZ-OD2 3.96Å; R137-D141 IonicContact NE-OD1 3.15Å; R137-D141 PolarHBondContact NE-OD1 3Å; R137-D141 IonicContact NE-OD2 3.64Å; R137-D141 PolarHBondContact NE-OD2 3.44Å; R137-D141 IonicContact NH2-OD2 2.81Å; R137-D141 PolarHBondContact NH2-OD2 2.81Å; R137-D141 WeakPolarHBondContact O-CA 3.28Å; R137-D141 WeakPolarHBondContact O-CB 3.43Å; R137-D141 PolarHBondContact O-N 2.77Å; R137-D170 IonicContact NH1-OD2 3.51Å; R137-L171 HydrophobicContact CG-CD2 3.83Å
138	Y	98.5	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-44.6	171.9	173.1	-92	0	0	0	111.6	T22 L24 I105 V108 N109 R112 L134 I135 C136 T140 F142 M143	T22-Y138 HydrophobicContact CG2-CE1 4.2Å; L24-Y138 HydrophobicContact CD1-CD1 3.72Å; L24-Y138 HydrophobicContact CD1-CE1 4.01Å; L24-Y138 HydrophobicContact CD1-CG 4.28Å; I105-Y138 HydrophobicContact CB-CD2 4.41Å; I105-Y138 HydrophobicContact CG1-CD2 4.13Å; I105-Y138 HydrophobicContact CG2-CD2 4.26Å; V108-Y138 HydrophobicContact CB-CD2 4.18Å; V108-Y138 HydrophobicContact CB-CE2 4.02Å; V108-Y138 HydrophobicContact CG1-CD2 3.96Å; V108-Y138 HydrophobicContact CG1-CE1 4.34Å; V108-Y138 HydrophobicContact CG1-CE2 3.48Å; V108-Y138 VanDerWaalsContact CG1-CE2 3.48Å; N109-Y138 PolarHBondContact OD1-OH 2.95Å; R112-Y138 PolarHBondContact NH1-OH 3.12Å; L134-Y138 PolarHBondContact O-N 2.91Å; I135-Y138 WeakPolarHBondContact O-CB 3.3Å; I135-Y138 PolarHBondContact O-N 2.81Å; I135-Y138 VanDerWaalsContact O-N 3.1Å; C136-Y138 VanDerWaalsContact C-N 3.34Å; C136-Y138 PolarHBondContact O-N 2.87Å; Y138-T140 PolarHBondContact O-N 3.32Å; Y138-F142 HydrophobicContact CD2-CB 4.13Å; Y138-F142 HydrophobicContact CD2-CD1 4.34Å; Y138-F142 HydrophobicContact CD2-CG 4.45Å; Y138-F142 HydrophobicContact CE1-CD1 4.42Å; Y138-F142 HydrophobicContact CE2-CB 4.18Å; Y138-F142 AromaticContact CE2-CD1 3.56Å; Y138-F142 HydrophobicContact CE2-CD1 3.56Å; Y138-F142 HydrophobicContact CE2-CE1 4.21Å; Y138-F142 HydrophobicContact CE2-CG 4.01Å; Y138-F142 AromaticContact CZ-CD1 3.61Å; Y138-F142 VanDerWaalsContact O-CB 3.3Å; Y138-F142 WeakPolarHBondContact O-CB 3.49Å; Y138-F142 PolarHBondContact O-N 2.7Å; Y138-M143 HydrophobicContact CD1-CG 4.44Å; Y138-M143 HydrophobicContact CD1-SD 4.26Å; Y138-M143 HydrophobicContact CE1-CG 3.92Å; Y138-M143 HydrophobicContact CE1-SD 3.59Å; Y138-M143 VanDerWaalsContact CE1-SD 3.59Å; Y138-M143 PolarHBondContact O-N 2.81Å
139	L	98.2	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-41.2	177.4	-63.2	176.6	0	0	0	112.1	V19 T22 I135 C136 M143 N144 M145 A150 E153	V19-L139 HydrophobicContact CG1-CD1 3.97Å; V19-L139 HydrophobicContact CG1-CD2 4.07Å; T22-L139 HydrophobicContact CG2-CD2 3.89Å; I135-L139 HydrophobicContact CG2-CD1 4.26Å; I135-L139 HydrophobicContact CG2-CG 4.41Å; I135-L139 WeakPolarHBondContact O-CG 3.19Å; I135-L139 PolarHBondContact O-N 3.16Å; C136-L139 PolarHBondContact O-N 3.2Å; L139-M143 HydrophobicContact CD2-SD 3.69Å; L139-M143 CarbonylContact O-C 3.56Å; L139-M143 VanDerWaalsContact O-C 3.27Å; L139-M143 WeakPolarHBondContact O-CA 3.48Å; L139-M143 VanDerWaalsContact O-CB 3.29Å; L139-M143 WeakPolarHBondContact O-CB 3.25Å; L139-M143 PolarHBondContact O-N 3.42Å; L139-N144 PolarHBondContact O-N 3.1Å; L139-M145 HydrophobicContact CB-CB 4.17Å; L139-M145 HydrophobicContact CB-SD 4.15Å; L139-M145 HydrophobicContact CD1-SD 4.09Å; L139-M145 HydrophobicContact CD2-CE 4.41Å; L139-M145 VanDerWaalsContact O-CB 3.22Å; L139-M145 WeakPolarHBondContact O-CB 3.2Å; L139-M145 PolarHBondContact O-N 3.42Å; L139-A150 HydrophobicContact CB-CB 3.85Å; L139-A150 HydrophobicContact CD1-CB 3.98Å; L139-E153 HydrophobicContact CD1-CB 4.42Å
140	T	97	Very high	97.5	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.043	17%	0.174	C	C	.	.	H	α-helix	trans	-76.6	-49.5	-178.8	55.8	0	0	0	0	112.3	C136 R137 Y138 N144 M145 P147 A150	C136-T140 WeakPolarHBondContact O-CG2 3.35Å; C136-T140 PolarHBondContact O-N 2.89Å; C136-T140 PolarHBondContact O-OG1 3.38Å; C136-T140 VanDerWaalsContact O-OG1 3.1Å; R137-T140 WeakPolarHBondContact CA-OG1 3.15Å; R137-T140 PolarHBondContact O-N 2.88Å; R137-T140 PolarHBondContact O-OG1 3.45Å; Y138-T140 PolarHBondContact O-N 3.32Å; T140-N144 VanDerWaalsContact O-CA 3.31Å; T140-N144 WeakPolarHBondContact O-CA 3.29Å; T140-N144 PolarHBondContact O-N 3.49Å; T140-M145 WeakPolarHBondContact CA-O 3.19Å; T140-M145 WeakPolarHBondContact CG2-O 3.36Å; T140-P147 HydrophobicContact CG2-CB 4.07Å; T140-P147 HydrophobicContact CG2-CG 3.87Å; T140-A150 HydrophobicContact CG2-CB 3.87Å
141	D	96.3	Very high	97.5	Very high	52 Å²	52	35.5 Å²	35.5	28%	0.278	18%	0.175	S	C	.	.	H	α-helix	trans	-85.4	-31.6	-166.6	-57	5.4	0	0	0	111.5	I105 R137	I105-D141 HydrophobicContact CD1-CB 3.88Å; R137-D141 IonicContact CZ-OD2 3.96Å; R137-D141 IonicContact NE-OD1 3.15Å; R137-D141 PolarHBondContact NE-OD1 3Å; R137-D141 IonicContact NE-OD2 3.64Å; R137-D141 PolarHBondContact NE-OD2 3.44Å; R137-D141 IonicContact NH2-OD2 2.81Å; R137-D141 PolarHBondContact NH2-OD2 2.81Å; R137-D141 WeakPolarHBondContact O-CA 3.28Å; R137-D141 WeakPolarHBondContact O-CB 3.43Å; R137-D141 PolarHBondContact O-N 2.77Å
142	F	95.9	Very high	97.5	Very high	91 Å²	91	42.8 Å²	42.8	40%	0.399	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-43.5	179.3	-177.2	-100.8	0	0	0	112.6	I105 N109 Y138	I105-F142 HydrophobicContact CG2-CB 4.05Å; I105-F142 HydrophobicContact CG2-CD2 4.19Å; I105-F142 HydrophobicContact CG2-CG 4.3Å; N109-F142 WeakPolarHBondContact ND2-CD2 3.46Å; N109-F142 WeakPolarHBondContact ND2-CE2 3.38Å; N109-F142 WeakPolarHBondContact ND2-CZ 3.45Å; N109-F142 WeakPolarHBondContact OD1-CE1 3.3Å; N109-F142 VanDerWaalsContact OD1-CZ 3.24Å; N109-F142 WeakPolarHBondContact OD1-CZ 3.38Å; Y138-F142 HydrophobicContact CD2-CB 4.13Å; Y138-F142 HydrophobicContact CD2-CD1 4.34Å; Y138-F142 HydrophobicContact CD2-CG 4.45Å; Y138-F142 HydrophobicContact CE1-CD1 4.42Å; Y138-F142 HydrophobicContact CE2-CB 4.18Å; Y138-F142 AromaticContact CE2-CD1 3.56Å; Y138-F142 HydrophobicContact CE2-CD1 3.56Å; Y138-F142 HydrophobicContact CE2-CE1 4.21Å; Y138-F142 HydrophobicContact CE2-CG 4.01Å; Y138-F142 AromaticContact CZ-CD1 3.61Å; Y138-F142 VanDerWaalsContact O-CB 3.3Å; Y138-F142 WeakPolarHBondContact O-CB 3.49Å; Y138-F142 PolarHBondContact O-N 2.7Å
143	M	96.2	Very high	97.5	Very high	70 Å²	70	45.2 Å²	45.2	35%	0.345	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.6	-179.2	-56.5	-172.7	64.6	0	0	114.1	T22 Y138 L139 M145	T22-M143 HydrophobicContact CG2-CE 4.34Å; T22-M143 HydrophobicContact CG2-SD 3.63Å; Y138-M143 HydrophobicContact CD1-CG 4.44Å; Y138-M143 HydrophobicContact CD1-SD 4.26Å; Y138-M143 HydrophobicContact CE1-CG 3.92Å; Y138-M143 HydrophobicContact CE1-SD 3.59Å; Y138-M143 VanDerWaalsContact CE1-SD 3.59Å; Y138-M143 PolarHBondContact O-N 2.81Å; L139-M143 HydrophobicContact CD2-SD 3.69Å; L139-M143 CarbonylContact O-C 3.56Å; L139-M143 VanDerWaalsContact O-C 3.27Å; L139-M143 WeakPolarHBondContact O-CA 3.48Å; L139-M143 VanDerWaalsContact O-CB 3.29Å; L139-M143 WeakPolarHBondContact O-CB 3.25Å; L139-M143 PolarHBondContact O-N 3.42Å; M143-M145 PolarHBondContact O-N 3.29Å; M143-M145 VanDerWaalsContact O-N 3.15Å
144	N	95.5	Very high	97.5	Very high	142 Å²	142	45.2 Å²	45.2	76%	0.759	21%	0.214	S	C	*	.			trans	54.5	28.9	179.7	-62.7	-67	0	0	0	114	L139 T140	L139-N144 PolarHBondContact O-N 3.1Å; T140-N144 VanDerWaalsContact O-CA 3.31Å; T140-N144 WeakPolarHBondContact O-CA 3.29Å; T140-N144 PolarHBondContact O-N 3.49Å
145	M	96.3	Very high	97.5	Very high	49 Å²	49	49.5 Å²	49.5	24%	0.241	23%	0.234	C	C	.	.			trans	-76.6	145.9	176.9	-168.7	175.2	-73.1	0	0	110.6	L139 T140 M143 D149 A150 E153	L139-M145 HydrophobicContact CB-CB 4.17Å; L139-M145 HydrophobicContact CB-SD 4.15Å; L139-M145 HydrophobicContact CD1-SD 4.09Å; L139-M145 HydrophobicContact CD2-CE 4.41Å; L139-M145 VanDerWaalsContact O-CB 3.22Å; L139-M145 WeakPolarHBondContact O-CB 3.2Å; L139-M145 PolarHBondContact O-N 3.42Å; T140-M145 WeakPolarHBondContact CA-O 3.19Å; T140-M145 WeakPolarHBondContact CG2-O 3.36Å; M143-M145 PolarHBondContact O-N 3.29Å; M143-M145 VanDerWaalsContact O-N 3.15Å; M145-D149 HydrophobicContact CG-CB 3.99Å; M145-D149 HydrophobicContact SD-CB 4.26Å; M145-A150 HydrophobicContact CG-CB 4.34Å; M145-A150 VanDerWaalsContact SD-CA 3.52Å; M145-A150 HydrophobicContact SD-CB 4.03Å; M145-A150 PolarHBondContact SD-N 2.67Å; M145-E153 HydrophobicContact CE-CG 4.24Å; M145-E153 HydrophobicContact SD-CB 4.38Å; M145-E153 HydrophobicContact SD-CG 3.99Å
146	N	96.1	Very high	97.5	Very high	80 Å²	80	58.2 Å²	58.2	43%	0.428	27%	0.269	S	S	.	.			trans	-63.9	139.1	170.8	-174.3	-76.9	0	0	0	110.2	K148 D149 A150	N146-K148 VanDerWaalsContact C-N 3.27Å; N146-K148 PolarHBondContact O-N 3.14Å; N146-K148 WeakPolarHBondContact OD1-CB 3.01Å; N146-K148 PolarHBondContact OD1-N 3.49Å; N146-D149 HydrophobicContact CB-CB 4.41Å; N146-D149 PolarHBondContact O-N 3.15Å; N146-A150 PolarHBondContact O-N 3.41Å
147	P	97.2	Very high	97.5	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-56.5	-34.5	-179.3	-27.5	33.5	0	0	0	115.2	T140 D149 A150 L151 L171 L172 V175	T140-P147 HydrophobicContact CG2-CB 4.07Å; T140-P147 HydrophobicContact CG2-CG 3.87Å; P147-D149 VanDerWaalsContact C-N 3.33Å; P147-A150 PolarHBondContact O-N 3.46Å; P147-L151 WeakPolarHBondContact O-CG 2.97Å; P147-L151 PolarHBondContact O-N 2.86Å; P147-L171 VanDerWaalsContact CB-O 3.29Å; P147-L171 WeakPolarHBondContact CB-O 3.4Å; P147-L171 WeakPolarHBondContact CG-O 3.34Å; P147-L172 HydrophobicContact CB-CD2 4.2Å; P147-V175 HydrophobicContact CG-CG2 3.39Å
148	K	97.3	Very high	97.6	Very high	123 Å²	123	56.8 Å²	56.8	54%	0.535	26%	0.264	S	S	.	.	H	α-helix	trans	-66	-39.3	176.4	-70.3	-178.1	176.4	-179.6	0	111.3	N146 R152 L172	N146-K148 VanDerWaalsContact C-N 3.27Å; N146-K148 PolarHBondContact O-N 3.14Å; N146-K148 WeakPolarHBondContact OD1-CB 3.01Å; N146-K148 PolarHBondContact OD1-N 3.49Å; K148-R152 WeakPolarHBondContact O-CG 3.37Å; K148-R152 PolarHBondContact O-N 2.85Å; K148-L172 HydrophobicContact CG-CD2 3.55Å
149	D	97.7	Very high	97.6	Very high	69 Å²	69	59.3 Å²	59.3	37%	0.369	29%	0.29	S	S	.	.	H	α-helix	trans	-74.4	-37.7	178.1	-60.9	-32.7	0	0	0	110.6	M145 N146 P147 L151 R152 E153	M145-D149 HydrophobicContact CG-CB 3.99Å; M145-D149 HydrophobicContact SD-CB 4.26Å; N146-D149 HydrophobicContact CB-CB 4.41Å; N146-D149 PolarHBondContact O-N 3.15Å; P147-D149 VanDerWaalsContact C-N 3.33Å; D149-L151 VanDerWaalsContact C-N 3.32Å; D149-L151 PolarHBondContact O-N 2.81Å; D149-R152 PolarHBondContact O-N 3.14Å; D149-R152 VanDerWaalsContact O-N 3.16Å; D149-R152 IonicContact OD1-CZ 3.74Å; D149-R152 IonicContact OD1-NH1 3.27Å; D149-R152 PolarHBondContact OD1-NH1 2.89Å; D149-E153 WeakPolarHBondContact O-CB 3.28Å; D149-E153 VanDerWaalsContact O-CG 3.31Å; D149-E153 WeakPolarHBondContact O-CG 3.42Å; D149-E153 PolarHBondContact O-N 3.07Å
150	A	98.2	Very high	97.6	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-43.8	173	0	0	0	0	0	112.2	C136 L139 T140 M145 N146 P147 F154	C136-A150 HydrophobicContact CB-CB 4.19Å; C136-A150 PolarHBondContact SG-O 2.54Å; L139-A150 HydrophobicContact CB-CB 3.85Å; L139-A150 HydrophobicContact CD1-CB 3.98Å; T140-A150 HydrophobicContact CG2-CB 3.87Å; M145-A150 HydrophobicContact CG-CB 4.34Å; M145-A150 VanDerWaalsContact SD-CA 3.52Å; M145-A150 HydrophobicContact SD-CB 4.03Å; M145-A150 PolarHBondContact SD-N 2.67Å; N146-A150 PolarHBondContact O-N 3.41Å; P147-A150 PolarHBondContact O-N 3.46Å; A150-F154 WeakPolarHBondContact O-CB 3.48Å; A150-F154 PolarHBondContact O-N 2.83Å
151	L	98.5	Very high	97.6	Very high	26 Å²	26	63.3 Å²	63.3	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-43.5	175	-78.3	165.8	0	0	0	112.4	P147 D149 F154 E155 V162 I168 L171 L172	P147-L151 WeakPolarHBondContact O-CG 2.97Å; P147-L151 PolarHBondContact O-N 2.86Å; D149-L151 VanDerWaalsContact C-N 3.32Å; D149-L151 PolarHBondContact O-N 2.81Å; L151-F154 PolarHBondContact O-N 2.83Å; L151-E155 WeakPolarHBondContact O-CB 3.26Å; L151-E155 PolarHBondContact O-N 3.47Å; L151-V162 HydrophobicContact CD2-CB 4.04Å; L151-V162 HydrophobicContact CD2-CG2 3.94Å; L151-I168 HydrophobicContact CD1-CG2 4.07Å; L151-L171 HydrophobicContact CD2-CD1 3.83Å; L151-L171 HydrophobicContact CG-CD1 4.35Å; L151-L172 HydrophobicContact CD1-CD2 3.99Å; L151-L172 HydrophobicContact CD1-CG 4.29Å
152	R	98.4	Very high	97.7	Very high	152 Å²	152	61.3 Å²	61.3	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-66.6	-44.1	178	-70.9	171.1	-174.3	149	-6.6	112.4	K148 D149 F154 E155 Y156	K148-R152 WeakPolarHBondContact O-CG 3.37Å; K148-R152 PolarHBondContact O-N 2.85Å; D149-R152 PolarHBondContact O-N 3.14Å; D149-R152 VanDerWaalsContact O-N 3.16Å; D149-R152 IonicContact OD1-CZ 3.74Å; D149-R152 IonicContact OD1-NH1 3.27Å; D149-R152 PolarHBondContact OD1-NH1 2.89Å; R152-F154 VanDerWaalsContact C-N 3.33Å; R152-E155 PolarHBondContact O-N 3.08Å; R152-Y156 WeakPolarHBondContact O-CB 3.24Å; R152-Y156 PolarHBondContact O-N 2.85Å
153	E	98.5	Very high	97.8	Very high	52 Å²	52	60.6 Å²	60.6	24%	0.243	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-39.9	177.8	-71.6	-68.1	163	0	0	110.7	K20 L139 M145 D149 A157	K20-E153 WeakPolarHBondContact CB-OE2 3.37Å; L139-E153 HydrophobicContact CD1-CB 4.42Å; M145-E153 HydrophobicContact CE-CG 4.24Å; M145-E153 HydrophobicContact SD-CB 4.38Å; M145-E153 HydrophobicContact SD-CG 3.99Å; D149-E153 WeakPolarHBondContact O-CB 3.28Å; D149-E153 VanDerWaalsContact O-CG 3.31Å; D149-E153 WeakPolarHBondContact O-CG 3.42Å; D149-E153 PolarHBondContact O-N 3.07Å; E153-A157 WeakPolarHBondContact O-CB 3.23Å; E153-A157 PolarHBondContact O-N 3.14Å
154	F	98.7	Very high	97.8	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-48.8	171.8	173.3	-97.1	0	0	0	111.9	P26 T131 I135 A150 L151 R152 Y156 A157 R158 V162	P26-F154 HydrophobicContact CB-CE2 3.78Å; P26-F154 HydrophobicContact CG-CE2 4.17Å; T131-F154 HydrophobicContact CG2-CE2 4.19Å; I135-F154 HydrophobicContact CB-CD2 4.2Å; I135-F154 HydrophobicContact CD1-CD2 4.21Å; I135-F154 HydrophobicContact CD1-CE2 4.13Å; I135-F154 HydrophobicContact CG2-CD2 4.06Å; A150-F154 WeakPolarHBondContact O-CB 3.48Å; A150-F154 PolarHBondContact O-N 2.83Å; L151-F154 PolarHBondContact O-N 2.83Å; R152-F154 VanDerWaalsContact C-N 3.33Å; F154-Y156 VanDerWaalsContact C-N 3.34Å; F154-Y156 PolarHBondContact O-N 3.29Å; F154-A157 PolarHBondContact O-N 3.3Å; F154-R158 HydrophobicContact CD2-CB 4.48Å; F154-R158 HydrophobicContact CE1-CB 4.04Å; F154-R158 HydrophobicContact CE1-CG 4.22Å; F154-R158 HydrophobicContact CE2-CB 3.98Å; F154-R158 HydrophobicContact CE2-CG 4.37Å; F154-R158 HydrophobicContact CZ-CB 3.75Å; F154-R158 HydrophobicContact CZ-CG 3.79Å; F154-R158 WeakPolarHBondContact O-CB 3.5Å; F154-R158 PolarHBondContact O-N 2.69Å; F154-V162 HydrophobicContact CD1-CG2 3.69Å; F154-V162 HydrophobicContact CE1-CG2 3.69Å
155	E	98.7	Very high	97.9	Very high	91 Å²	91	61.3 Å²	61.3	43%	0.425	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-46.6	179.5	176.1	176.3	-171.4	0	0	111.4	L151 R152 R158 G159 H160 P161	L151-E155 WeakPolarHBondContact O-CB 3.26Å; L151-E155 PolarHBondContact O-N 3.47Å; R152-E155 PolarHBondContact O-N 3.08Å; E155-R158 PolarHBondContact O-N 2.88Å; E155-G159 VanDerWaalsContact O-CA 3.29Å; E155-G159 WeakPolarHBondContact O-CA 3.36Å; E155-G159 PolarHBondContact O-N 3.26Å; E155-H160 PolarHBondContact O-N 3.46Å; E155-P161 HydrophobicContact CB-CB 4.47Å; E155-P161 HydrophobicContact CG-CB 4.02Å
156	Y	98.6	Very high	97.9	Very high	183 Å²	183	61.5 Å²	61.5	72%	0.718	30%	0.297	S	S	*	.	H	α-helix	trans	-59.2	-49.5	175.8	177.6	-96.4	0	0	0	111.4	V17 R152 F154	V17-Y156 HydrophobicContact CG2-CE1 4.49Å; R152-Y156 WeakPolarHBondContact O-CB 3.24Å; R152-Y156 PolarHBondContact O-N 2.85Å; F154-Y156 VanDerWaalsContact C-N 3.34Å; F154-Y156 PolarHBondContact O-N 3.29Å
157	A	98.6	Very high	98	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.017	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-41	-178.5	0	0	0	0	0	112.2	G16 V17 V19 E153 F154	G16-A157 CarbonylContact C-O 3.55Å; G16-A157 WeakPolarHBondContact CA-O 3.2Å; V17-A157 HydrophobicContact CG2-CB 4.41Å; V17-A157 PolarHBondContact N-O 2.95Å; V19-A157 HydrophobicContact CB-CB 4.15Å; V19-A157 HydrophobicContact CG2-CB 3.59Å; E153-A157 WeakPolarHBondContact O-CB 3.23Å; E153-A157 PolarHBondContact O-N 3.14Å; F154-A157 PolarHBondContact O-N 3.3Å
158	R	98.6	Very high	98	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-80	-29.2	-178.5	178.4	59.7	-169.2	97.4	-6.9	112.8	T13 P26 H126 G127 F154 E155 H160	T13-R158 PolarHBondContact O-NH1 2.89Å; T13-R158 PolarHBondContact O-NH2 3.41Å; T13-R158 PolarHBondContact OG1-NH1 3.2Å; P26-R158 HydrophobicContact CB-CB 4.39Å; P26-R158 HydrophobicContact CG-CB 3.88Å; H126-R158 PolarHBondContact O-NH2 2.79Å; G127-R158 VanDerWaalsContact O-CD 3.25Å; G127-R158 WeakPolarHBondContact O-CD 3.32Å; G127-R158 PolarHBondContact O-NE 3Å; G127-R158 VanDerWaalsContact O-NE 3.08Å; F154-R158 HydrophobicContact CD2-CB 4.48Å; F154-R158 HydrophobicContact CE1-CB 4.04Å; F154-R158 HydrophobicContact CE1-CG 4.22Å; F154-R158 HydrophobicContact CE2-CB 3.98Å; F154-R158 HydrophobicContact CE2-CG 4.37Å; F154-R158 HydrophobicContact CZ-CB 3.75Å; F154-R158 HydrophobicContact CZ-CG 3.79Å; F154-R158 WeakPolarHBondContact O-CB 3.5Å; F154-R158 PolarHBondContact O-N 2.69Å; E155-R158 PolarHBondContact O-N 2.88Å; R158-H160 HydrophobicContact CG-CB 4.06Å; R158-H160 PolarHBondContact NH1-CD2 3.26Å
159	G	98.3	Very high	98	Very high	53 Å²	53	59.5 Å²	59.5	55%	0.546	29%	0.287	S	S	.	.	S	Bend	trans	75.9	8.7	-166.7	0	0	0	0	0	114.2	E155	E155-G159 VanDerWaalsContact O-CA 3.29Å; E155-G159 WeakPolarHBondContact O-CA 3.36Å; E155-G159 PolarHBondContact O-N 3.26Å
160	H	98.5	Very high	98	Very high	34 Å²	34	57.6 Å²	57.6	16%	0.157	28%	0.277	C	S	.	.	S	Bend	trans	-146.5	133.3	179.5	-61.3	-91.9	0	0	0	109.4	Y12 T13 V128 E155 R158	Y12-H160 HydrophobicContact CD1-CB 4.48Å; Y12-H160 AromaticContact CD1-CG 3.94Å; Y12-H160 AromaticContact CD1-ND1 3.67Å; T13-H160 PolarHBondContact N-NE2 3.1Å; T13-H160 PolarHBondContact OG1-CD2 3.08Å; T13-H160 PolarHBondContact OG1-NE2 3.16Å; V128-H160 HydrophobicContact CG2-CB 3.82Å; E155-H160 PolarHBondContact O-N 3.46Å; R158-H160 HydrophobicContact CG-CB 4.06Å; R158-H160 PolarHBondContact NH1-CD2 3.26Å
161	P	98.3	Very high	97.9	Very high	57 Å²	57	57.7 Å²	57.7	37%	0.37	28%	0.277	S	S	.	.			trans	-72.6	155.9	178.3	29.8	-34.8	0	0	0	111.2	V128 E155 E163	V128-P161 WeakPolarHBondContact CG1-O 3.49Å; E155-P161 HydrophobicContact CB-CB 4.47Å; E155-P161 HydrophobicContact CG-CB 4.02Å; P161-E163 PolarHBondContact O-N 3.41Å
162	V	98.4	Very high	97.8	Very high	9 Å²	9	59.8 Å²	59.8	6%	0.055	29%	0.289	C	S	.	.			trans	-60.1	126.1	161.2	179.2	0	0	0	0	107.6	L151 F154 I168	L151-V162 HydrophobicContact CD2-CB 4.04Å; L151-V162 HydrophobicContact CD2-CG2 3.94Å; F154-V162 HydrophobicContact CD1-CG2 3.69Å; F154-V162 HydrophobicContact CE1-CG2 3.69Å; V162-I168 HydrophobicContact CB-CG1 4.29Å; V162-I168 HydrophobicContact CG1-CG1 3.92Å; V162-I168 WeakPolarHBondContact O-CD1 3.49Å
163	E	97.4	Very high	97.5	Very high	77 Å²	77	57.1 Å²	57.1	36%	0.36	29%	0.286	S	S	.	.			trans	-96.2	-26.8	-174.6	-63	169.5	176.5	0	0	112	R8 Y12 V128 N129 P161 E165	R8-E163 IonicContact NH1-OE2 3.84Å; R8-E163 IonicContact NH2-OE2 3.37Å; Y12-E163 VanDerWaalsContact CE1-OE1 3.25Å; Y12-E163 WeakPolarHBondContact CE1-OE1 3.21Å; Y12-E163 VanDerWaalsContact OH-CD 3.24Å; Y12-E163 PolarHBondContact OH-OE1 3.41Å; Y12-E163 PolarHBondContact OH-OE2 2.83Å; V128-E163 HydrophobicContact CG1-CG 4.08Å; N129-E163 PolarHBondContact OD1-N 2.68Å; P161-E163 PolarHBondContact O-N 3.41Å; E163-E165 PolarHBondContact O-N 2.72Å
164	R	96.4	Very high	96.6	Very high	78 Å²	78	55 Å²	55	29%	0.294	28%	0.277	S	S	.	.			trans	-81.5	111	-166.7	-147.3	-177.2	173.5	76.4	2.7	111.6	H93 N129 N166 Y167 I168	H93-R164 VanDerWaalsContact CA-CZ 3.49Å; H93-R164 VanDerWaalsContact CA-NE 3.33Å; H93-R164 PolarHBondContact CD2-NH1 3.25Å; H93-R164 VanDerWaalsContact CG-NH2 3.25Å; H93-R164 PolarHBondContact O-NE 3.37Å; H93-R164 VanDerWaalsContact O-NE 3.14Å; N129-R164 HydrophobicContact CB-CB 4.28Å; N129-R164 WeakPolarHBondContact OD1-CB 3.23Å; N129-R164 PolarHBondContact OD1-N 3.47Å; R164-N166 VanDerWaalsContact CD-OD1 3.23Å; R164-N166 WeakPolarHBondContact CD-OD1 3.4Å; R164-N166 WeakPolarHBondContact CG-OD1 3.41Å; R164-N166 PolarHBondContact NE-OD1 2.96Å; R164-N166 VanDerWaalsContact NE-OD1 3.09Å; R164-N166 PolarHBondContact O-N 2.94Å; R164-Y167 HydrophobicContact CB-CD1 4.48Å; R164-Y167 HydrophobicContact CB-CD2 4.19Å; R164-Y167 HydrophobicContact CB-CG 4.08Å; R164-Y167 WeakPolarHBondContact O-CA 3.42Å; R164-Y167 WeakPolarHBondContact O-CB 3.3Å; R164-Y167 PolarHBondContact O-N 2.77Å; R164-I168 WeakPolarHBondContact O-CG1 3.19Å; R164-I168 PolarHBondContact O-N 2.82Å; R164-I168 VanDerWaalsContact O-N 3.14Å
165	E	97	Very high	95	Very high	148 Å²	148	57.3 Å²	57.3	69%	0.692	29%	0.291	S	S	*	.	H	α-helix	trans	-51.7	-48.6	-174.5	-65.9	175.2	174.9	0	0	113.1	E163 Y167 I168 E169	E163-E165 PolarHBondContact O-N 2.72Å; E165-Y167 PolarHBondContact O-N 3.45Å; E165-Y167 VanDerWaalsContact O-N 3.14Å; E165-I168 PolarHBondContact O-N 3.09Å; E165-I168 VanDerWaalsContact O-N 3.08Å; E165-E169 WeakPolarHBondContact O-CG 3.19Å; E165-E169 PolarHBondContact O-N 3Å
166	N	97	Very high	92.9	Very high	53 Å²	53	57 Å²	57	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-24	179.9	68.8	-53.3	0	0	0	113.8	H93 V95 R164 D170	H93-N166 PolarHBondContact O-ND2 3.47Å; V95-N166 HydrophobicContact CG2-CB 4.49Å; R164-N166 VanDerWaalsContact CD-OD1 3.23Å; R164-N166 WeakPolarHBondContact CD-OD1 3.4Å; R164-N166 WeakPolarHBondContact CG-OD1 3.41Å; R164-N166 PolarHBondContact NE-OD1 2.96Å; R164-N166 VanDerWaalsContact NE-OD1 3.09Å; R164-N166 PolarHBondContact O-N 2.94Å; N166-D170 PolarHBondContact O-N 3.08Å
167	Y	97.5	Very high	90.7	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-78.4	-41.8	175	-71.8	12.5	0	0	0	110.5	A94 V95 N129 R130 Y133 R164 E165 L171	A94-Y167 VanDerWaalsContact C-CE1 3.5Å; A94-Y167 WeakPolarHBondContact O-CE1 3.25Å; A94-Y167 VanDerWaalsContact O-CZ 3.26Å; A94-Y167 PolarHBondContact O-OH 2.83Å; V95-Y167 HydrophobicContact CG2-CD1 3.94Å; V95-Y167 HydrophobicContact CG2-CE1 4.24Å; N129-Y167 HydrophobicContact CB-CD2 4.09Å; N129-Y167 HydrophobicContact CB-CE2 3.97Å; N129-Y167 WeakPolarHBondContact O-CD2 3.26Å; R130-Y167 HydrophobicContact CG-CE2 4.23Å; Y133-Y167 HydrophobicContact CD2-CD2 4.3Å; Y133-Y167 HydrophobicContact CD2-CG 4.03Å; Y133-Y167 HydrophobicContact CG-CD2 4.24Å; Y133-Y167 HydrophobicContact CG-CG 4.41Å; R164-Y167 HydrophobicContact CB-CD1 4.48Å; R164-Y167 HydrophobicContact CB-CD2 4.19Å; R164-Y167 HydrophobicContact CB-CG 4.08Å; R164-Y167 WeakPolarHBondContact O-CA 3.42Å; R164-Y167 WeakPolarHBondContact O-CB 3.3Å; R164-Y167 PolarHBondContact O-N 2.77Å; E165-Y167 PolarHBondContact O-N 3.45Å; E165-Y167 VanDerWaalsContact O-N 3.14Å; Y167-L171 WeakPolarHBondContact O-CB 3.32Å; Y167-L171 VanDerWaalsContact O-CG 3.27Å; Y167-L171 WeakPolarHBondContact O-CG 3.36Å; Y167-L171 PolarHBondContact O-N 3.27Å
168	I	97.9	Very high	88.5	Confident	47 Å²	47	58.6 Å²	58.6	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-47.5	177.3	-59.8	166.2	0	0	0	109.6	L151 V162 R164 E165 L171 L172	L151-I168 HydrophobicContact CD1-CG2 4.07Å; V162-I168 HydrophobicContact CB-CG1 4.29Å; V162-I168 HydrophobicContact CG1-CG1 3.92Å; V162-I168 WeakPolarHBondContact O-CD1 3.49Å; R164-I168 WeakPolarHBondContact O-CG1 3.19Å; R164-I168 PolarHBondContact O-N 2.82Å; R164-I168 VanDerWaalsContact O-N 3.14Å; E165-I168 PolarHBondContact O-N 3.09Å; E165-I168 VanDerWaalsContact O-N 3.08Å; I168-L171 PolarHBondContact O-N 2.92Å; I168-L172 HydrophobicContact CG2-CD1 3.83Å; I168-L172 HydrophobicContact CG2-CG 4.29Å; I168-L172 WeakPolarHBondContact O-CB 3.42Å; I168-L172 VanDerWaalsContact O-CG 3.25Å; I168-L172 WeakPolarHBondContact O-CG 3.45Å; I168-L172 PolarHBondContact O-N 2.95Å
169	E	97.2	Very high	86	Confident	117 Å²	117	65.5 Å²	65.5	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-47.1	178.2	-72.7	179	176.2	0	0	112.3	E165 L171 L172 N173	E165-E169 WeakPolarHBondContact O-CG 3.19Å; E165-E169 PolarHBondContact O-N 3Å; E169-L171 PolarHBondContact O-N 2.94Å; E169-L172 PolarHBondContact O-N 3.26Å; E169-N173 VanDerWaalsContact O-CB 3.3Å; E169-N173 WeakPolarHBondContact O-CB 3.43Å; E169-N173 VanDerWaalsContact O-CG 3.25Å; E169-N173 PolarHBondContact O-N 2.92Å; E169-N173 PolarHBondContact O-ND2 3.14Å
170	D	96.8	Very high	83.8	Confident	30 Å²	30	66.8 Å²	66.8	16%	0.16	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-40.6	178.2	-178.8	72.8	0	0	0	112	V95 Y133 R137 N166 N173 S174 K177	V95-D170 HydrophobicContact CG1-CB 4.09Å; V95-D170 HydrophobicContact CG2-CB 4.3Å; Y133-D170 HydrophobicContact CE2-CB 4.38Å; Y133-D170 WeakPolarHBondContact CE2-OD2 3.48Å; Y133-D170 PolarHBondContact OH-OD2 3.35Å; R137-D170 IonicContact NH1-OD2 3.51Å; N166-D170 PolarHBondContact O-N 3.08Å; D170-N173 PolarHBondContact O-N 2.95Å; D170-S174 PolarHBondContact O-N 3.09Å; D170-K177 IonicContact OD1-NZ 2.74Å; D170-K177 PolarHBondContact OD1-NZ 2.82Å; D170-K177 VanDerWaalsContact OD1-NZ 3.16Å
171	L	96.4	Very high	81.6	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-59.8	-49.3	174.2	-77.9	169.3	0	0	0	111.6	Y133 C136 R137 P147 L151 Y167 I168 E169 N173 S174	Y133-L171 HydrophobicContact CD2-CD1 4.06Å; Y133-L171 HydrophobicContact CD2-CD2 4.22Å; Y133-L171 HydrophobicContact CD2-CG 3.82Å; Y133-L171 HydrophobicContact CE2-CD2 4.23Å; Y133-L171 HydrophobicContact CE2-CG 3.94Å; C136-L171 HydrophobicContact CB-CD1 3.7Å; C136-L171 HydrophobicContact CB-CD2 3.64Å; C136-L171 HydrophobicContact CB-CG 4.34Å; R137-L171 HydrophobicContact CG-CD2 3.83Å; P147-L171 VanDerWaalsContact CB-O 3.29Å; P147-L171 WeakPolarHBondContact CB-O 3.4Å; P147-L171 WeakPolarHBondContact CG-O 3.34Å; L151-L171 HydrophobicContact CD2-CD1 3.83Å; L151-L171 HydrophobicContact CG-CD1 4.35Å; Y167-L171 WeakPolarHBondContact O-CB 3.32Å; Y167-L171 VanDerWaalsContact O-CG 3.27Å; Y167-L171 WeakPolarHBondContact O-CG 3.36Å; Y167-L171 PolarHBondContact O-N 3.27Å; I168-L171 PolarHBondContact O-N 2.92Å; E169-L171 PolarHBondContact O-N 2.94Å; L171-N173 PolarHBondContact O-N 3.03Å; L171-S174 WeakPolarHBondContact O-CB 3.19Å; L171-S174 PolarHBondContact O-N 2.78Å; L171-S174 PolarHBondContact O-OG 3.5Å
172	L	96.5	Very high	79.5	Confident	71 Å²	71	69.1 Å²	69.1	37%	0.372	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-29.5	-179.4	-67.7	177.8	0	0	0	112.2	P147 K148 L151 I168 E169	P147-L172 HydrophobicContact CB-CD2 4.2Å; K148-L172 HydrophobicContact CG-CD2 3.55Å; L151-L172 HydrophobicContact CD1-CD2 3.99Å; L151-L172 HydrophobicContact CD1-CG 4.29Å; I168-L172 HydrophobicContact CG2-CD1 3.83Å; I168-L172 HydrophobicContact CG2-CG 4.29Å; I168-L172 WeakPolarHBondContact O-CB 3.42Å; I168-L172 VanDerWaalsContact O-CG 3.25Å; I168-L172 WeakPolarHBondContact O-CG 3.45Å; I168-L172 PolarHBondContact O-N 2.95Å; E169-L172 PolarHBondContact O-N 3.26Å
173	N	92.7	Very high	77.3	Confident	95 Å²	95	73 Å²	73	51%	0.508	38%	0.377	S	S	.	.	H	α-helix	trans	-87.1	-9.6	178.2	-70.2	-39.2	0	0	0	114.2	E169 D170 L171 V175 C176	E169-N173 VanDerWaalsContact O-CB 3.3Å; E169-N173 WeakPolarHBondContact O-CB 3.43Å; E169-N173 VanDerWaalsContact O-CG 3.25Å; E169-N173 PolarHBondContact O-N 2.92Å; E169-N173 PolarHBondContact O-ND2 3.14Å; D170-N173 PolarHBondContact O-N 2.95Å; L171-N173 PolarHBondContact O-N 3.03Å; N173-V175 VanDerWaalsContact C-N 3.31Å; N173-V175 PolarHBondContact O-N 3.06Å; N173-C176 WeakPolarHBondContact O-CB 3.27Å; N173-C176 PolarHBondContact O-N 3.3Å
174	S	78.8	Confident	75.3	Confident	9 Å²	9	75.8 Å²	75.8	6%	0.063	39%	0.39	C	S	.	.	H	α-helix	trans	-61.7	-33	-178.7	66	0	0	0	0	113.8	D170 L171 C176 K177 L178	D170-S174 PolarHBondContact O-N 3.09Å; L171-S174 WeakPolarHBondContact O-CB 3.19Å; L171-S174 PolarHBondContact O-N 2.78Å; L171-S174 PolarHBondContact O-OG 3.5Å; S174-C176 VanDerWaalsContact C-N 3.31Å; S174-C176 PolarHBondContact O-N 3.33Å; S174-K177 WeakPolarHBondContact O-CB 3.44Å; S174-K177 PolarHBondContact O-N 3Å; S174-K177 VanDerWaalsContact O-N 3.09Å; S174-L178 PolarHBondContact O-N 2.8Å
175	V	65.8	Low	73.2	Confident	48 Å²	48	79.5 Å²	79.5	29%	0.291	41%	0.408	S	S	.	.	H	α-helix	trans	-65.5	-34.1	177.3	172.8	0	0	0	0	112	P147 N173 K177 L178 K179	P147-V175 HydrophobicContact CG-CG2 3.39Å; N173-V175 VanDerWaalsContact C-N 3.31Å; N173-V175 PolarHBondContact O-N 3.06Å; V175-K177 VanDerWaalsContact C-N 3.26Å; V175-K177 PolarHBondContact O-N 3.13Å; V175-L178 PolarHBondContact O-N 3.09Å; V175-K179 HydrophobicContact CG1-CD 4.43Å; V175-K179 PolarHBondContact O-N 3.03Å; V175-K179 VanDerWaalsContact O-N 3.12Å
176	C	54.9	Low	71.1	Confident	84 Å²	84	78.7 Å²	78.7	57%	0.568	41%	0.408	S	S	*	.	H	α-helix	trans	-62.6	-36.9	174.3	-88.7	0	0	0	0	111	N173 S174 K179 V180	N173-C176 WeakPolarHBondContact O-CB 3.27Å; N173-C176 PolarHBondContact O-N 3.3Å; S174-C176 VanDerWaalsContact C-N 3.31Å; S174-C176 PolarHBondContact O-N 3.33Å; C176-K179 PolarHBondContact O-N 2.68Å; C176-V180 VanDerWaalsContact O-CG2 3.25Å; C176-V180 WeakPolarHBondContact O-CG2 3.38Å; C176-V180 PolarHBondContact O-N 3.25Å
177	K	50.9	Low	69.2	Low	130 Å²	130	80.6 Å²	80.6	57%	0.565	43%	0.426	S	S	*	.	H	α-helix	trans	-67.2	-42.5	179.7	-64.4	176.4	-178.6	166.2	0	112.1	D170 S174 V175 V180 S181	D170-K177 IonicContact OD1-NZ 2.74Å; D170-K177 PolarHBondContact OD1-NZ 2.82Å; D170-K177 VanDerWaalsContact OD1-NZ 3.16Å; S174-K177 WeakPolarHBondContact O-CB 3.44Å; S174-K177 PolarHBondContact O-N 3Å; S174-K177 VanDerWaalsContact O-N 3.09Å; V175-K177 VanDerWaalsContact C-N 3.26Å; V175-K177 PolarHBondContact O-N 3.13Å; K177-V180 PolarHBondContact O-N 3.2Å; K177-S181 PolarHBondContact O-N 2.91Å; K177-S181 PolarHBondContact O-OG 3.14Å
178	L	53.5	Low	67	Low	89 Å²	89	85.4 Å²	85.4	47%	0.466	46%	0.459	S	S	.	.	H	α-helix	trans	-65.1	-42	176.9	-70.7	169.6	0	0	0	111.8	S174 V175 S181 N182	S174-L178 PolarHBondContact O-N 2.8Å; V175-L178 PolarHBondContact O-N 3.09Å; L178-S181 PolarHBondContact O-N 2.78Å; L178-S181 PolarHBondContact O-OG 3.07Å; L178-N182 PolarHBondContact O-N 2.86Å; L178-N182 VanDerWaalsContact O-N 3.12Å
179	K	46.7	Very low	64.5	Low	144 Å²	144	90.4 Å²	90.4	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-63.5	-43.9	176	-72.4	-173.1	-179.7	-175.6	0	112.5	V175 C176 N182 V183	V175-K179 HydrophobicContact CG1-CD 4.43Å; V175-K179 PolarHBondContact O-N 3.03Å; V175-K179 VanDerWaalsContact O-N 3.12Å; C176-K179 PolarHBondContact O-N 2.68Å; K179-N182 PolarHBondContact O-N 3.16Å; K179-V183 WeakPolarHBondContact O-CG2 3.48Å; K179-V183 PolarHBondContact O-N 3.22Å; K179-V183 VanDerWaalsContact O-N 3.1Å
180	V	50.9	Low	62.8	Low	80 Å²	80	89.1 Å²	89.1	49%	0.485	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-44.4	177.7	173.5	0	0	0	0	111	C176 K177 N182 V183 E184	C176-V180 VanDerWaalsContact O-CG2 3.25Å; C176-V180 WeakPolarHBondContact O-CG2 3.38Å; C176-V180 PolarHBondContact O-N 3.25Å; K177-V180 PolarHBondContact O-N 3.2Å; V180-N182 VanDerWaalsContact C-N 3.27Å; V180-N182 PolarHBondContact O-N 3.31Å; V180-V183 PolarHBondContact O-N 2.9Å; V180-E184 PolarHBondContact O-N 3.29Å
181	S	52.8	Low	61	Low	46 Å²	46	92.2 Å²	92.2	32%	0.322	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-31.5	178.5	69.8	0	0	0	0	113.7	K177 L178 K185	K177-S181 PolarHBondContact O-N 2.91Å; K177-S181 PolarHBondContact O-OG 3.14Å; L178-S181 PolarHBondContact O-N 2.78Å; L178-S181 PolarHBondContact O-OG 3.07Å; S181-K185 WeakPolarHBondContact O-CG 3.42Å; S181-K185 PolarHBondContact O-N 3.34Å
182	N	53.2	Low	59.1	Low	95 Å²	95	97.3 Å²	97.3	51%	0.508	55%	0.553	S	S	.	*	H	α-helix	trans	-76.4	-29.5	174.8	-72.3	-16.1	0	0	0	112.4	L178 K179 V180 N186	L178-N182 PolarHBondContact O-N 2.86Å; L178-N182 VanDerWaalsContact O-N 3.12Å; K179-N182 PolarHBondContact O-N 3.16Å; V180-N182 VanDerWaalsContact C-N 3.27Å; V180-N182 PolarHBondContact O-N 3.31Å; N182-N186 WeakPolarHBondContact O-CB 3.2Å; N182-N186 VanDerWaalsContact O-CG 3.26Å; N182-N186 PolarHBondContact O-N 3.14Å; N182-N186 PolarHBondContact O-ND2 3.16Å
183	V	53.6	Low	56.9	Low	91 Å²	91	98.8 Å²	98.8	55%	0.552	56%	0.564	S	S	*	*	H	α-helix	trans	-72.5	-40.4	175.3	172.9	0	0	0	0	111.2	K179 V180 N186 S187	K179-V183 WeakPolarHBondContact O-CG2 3.48Å; K179-V183 PolarHBondContact O-N 3.22Å; K179-V183 VanDerWaalsContact O-N 3.1Å; V180-V183 PolarHBondContact O-N 2.9Å; V183-N186 PolarHBondContact O-N 3.01Å; V183-S187 PolarHBondContact O-N 3.09Å; V183-S187 VanDerWaalsContact O-N 3.1Å; V183-S187 PolarHBondContact O-OG 3.21Å
184	E	54.4	Low	54.6	Low	135 Å²	135	99.1 Å²	99.1	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-66.7	-38.4	178.5	-71.1	178	172.7	0	0	112.1	V180 N186 S187 S188	V180-E184 PolarHBondContact O-N 3.29Å; E184-N186 VanDerWaalsContact C-N 3.34Å; E184-N186 PolarHBondContact O-N 3.48Å; E184-S187 PolarHBondContact O-N 3.13Å; E184-S188 PolarHBondContact O-OG 3.2Å; E184-S188 VanDerWaalsContact O-OG 3.11Å
185	K	52.6	Low	53	Low	156 Å²	156	105.1 Å²	105.1	68%	0.678	60%	0.601	S	S	*	*	H	α-helix	trans	-68.5	-30.2	173.9	-74	-175.9	179.5	-178.3	0	113.5	S181	S181-K185 WeakPolarHBondContact O-CG 3.42Å; S181-K185 PolarHBondContact O-N 3.34Å
186	N	53.4	Low	52.1	Low	130 Å²	130	109.1 Å²	109.1	70%	0.695	62%	0.623	S	S	*	*	H	α-helix	trans	-85.5	-9.9	178.3	-72.8	-7.2	0	0	0	113.8	N182 V183 E184	N182-N186 WeakPolarHBondContact O-CB 3.2Å; N182-N186 VanDerWaalsContact O-CG 3.26Å; N182-N186 PolarHBondContact O-N 3.14Å; N182-N186 PolarHBondContact O-ND2 3.16Å; V183-N186 PolarHBondContact O-N 3.01Å; E184-N186 VanDerWaalsContact C-N 3.34Å; E184-N186 PolarHBondContact O-N 3.48Å
187	S	56.3	Low	51.9	Low	93 Å²	93	111.1 Å²	111.1	65%	0.65	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	6.4	177.7	-53.3	0	0	0	0	113.2	V183 E184	V183-S187 PolarHBondContact O-N 3.09Å; V183-S187 VanDerWaalsContact O-N 3.1Å; V183-S187 PolarHBondContact O-OG 3.21Å; E184-S187 PolarHBondContact O-N 3.13Å
188	S	52.1	Low	52	Low	102 Å²	102	109.5 Å²	109.5	71%	0.713	63%	0.633	S	S	*	*			trans	-120.2	27.6	178.3	33.1	0	0	0	0	113.4	E184	E184-S188 PolarHBondContact O-OG 3.2Å; E184-S188 VanDerWaalsContact O-OG 3.11Å
189	A	44.2	Very low	51.8	Low	153 Å²	153	111.4 Å²	111.4	100%	1.264	65%	0.648	S	S	*	*			trans	-115.4	0	165.1	0	0	0	0	0	109.6

Retrieved 189 of 189 residues in 197.5 ms (Link to these results)

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