A0A087YA77_POEFO Loading...

Small ribosomal subunit protein uS2m

Required for mitoribosome formation and stability, and mitochondrial translation.

AlphaFold DB , UniProt , Accession A0A087YA77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 224 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	I	57.3	Low	73.7	Confident	121 Å²	121	88.6 Å²	88.6	62%	0.621	45%	0.451	S	S	*	.				0	118.9	0	-59.9	171.1	0	0	0	105.4	M5 L6	I1-M5 HydrophobicContact CG2-CB 4.14Å; I1-M5 HydrophobicContact CG2-SD 4.02Å; I1-L6 HydrophobicContact CG2-CD1 4.32Å; I1-L6 HydrophobicContact CG2-CD2 4.19Å; I1-L6 HydrophobicContact CG2-CG 3.93Å
2	S	69	Low	74.3	Confident	52 Å²	52	90.8 Å²	90.8	36%	0.364	46%	0.455	S	S	.	.			trans	-65.7	136.7	177.3	-175.9	0	0	0	0	109.4	K4 M5	S2-K4 PolarHBondContact O-N 3.24Å; S2-K4 VanDerWaalsContact O-N 3.09Å; S2-M5 VanDerWaalsContact O-CB 3.3Å; S2-M5 WeakPolarHBondContact O-CB 3.46Å; S2-M5 PolarHBondContact O-N 2.97Å
3	D	69.9	Low	74.4	Confident	124 Å²	124	98.8 Å²	98.8	66%	0.663	49%	0.49	S	S	*	.	H	α-helix	trans	-50.7	-35.6	177.6	-69.1	-30.5	0	0	0	111.8	M5 L6 D7	D3-M5 PolarHBondContact O-N 2.97Å; D3-M5 VanDerWaalsContact O-N 3.11Å; D3-L6 PolarHBondContact O-N 3.34Å; D3-D7 PolarHBondContact O-N 2.92Å
4	K	71.5	Confident	75.1	Confident	172 Å²	172	95.8 Å²	95.8	75%	0.748	48%	0.477	S	S	*	.	H	α-helix	trans	-55.3	-31.7	174.6	-65.3	-176.9	178.2	179.5	0	114.2	S2 L8	S2-K4 PolarHBondContact O-N 3.24Å; S2-K4 VanDerWaalsContact O-N 3.09Å; K4-L8 PolarHBondContact O-N 3.35Å
5	M	74.9	Confident	75.7	Confident	19 Å²	19	91.5 Å²	91.5	9%	0.094	46%	0.456	C	S	.	.	H	α-helix	trans	-76.7	-26.5	-179.7	-168.9	-173.1	146.5	0	0	112.1	I1 S2 D3 Y80 R207 M210 E211	I1-M5 HydrophobicContact CG2-CB 4.14Å; I1-M5 HydrophobicContact CG2-SD 4.02Å; S2-M5 VanDerWaalsContact O-CB 3.3Å; S2-M5 WeakPolarHBondContact O-CB 3.46Å; S2-M5 PolarHBondContact O-N 2.97Å; D3-M5 PolarHBondContact O-N 2.97Å; D3-M5 VanDerWaalsContact O-N 3.11Å; M5-Y80 WeakPolarHBondContact CG-OH 3.4Å; M5-Y80 WeakPolarHBondContact O-CE1 3.37Å; M5-Y80 PolarHBondContact O-OH 2.73Å; M5-R207 HydrophobicContact CE-CG 3.98Å; M5-M210 HydrophobicContact CE-CB 3.97Å; M5-M210 HydrophobicContact CG-CB 4.48Å; M5-E211 HydrophobicContact CE-CG 3.46Å; M5-E211 VanDerWaalsContact CE-CG 3.46Å; M5-E211 HydrophobicContact SD-CG 4.19Å
6	L	77.2	Confident	76.5	Confident	67 Å²	67	86.4 Å²	86.4	35%	0.351	43%	0.43	S	S	.	.	H	α-helix	trans	-85.4	-28.3	176.4	-65.8	177.1	0	0	0	112.2	I1 D3 P9	I1-L6 HydrophobicContact CG2-CD1 4.32Å; I1-L6 HydrophobicContact CG2-CD2 4.19Å; I1-L6 HydrophobicContact CG2-CG 3.93Å; D3-L6 PolarHBondContact O-N 3.34Å; L6-P9 WeakPolarHBondContact O-CD 3.47Å
7	D	79.5	Confident	77.3	Confident	81 Å²	81	90.4 Å²	90.4	43%	0.433	44%	0.439	S	S	.	.	H	α-helix	trans	-80.6	-33.2	179.9	-65.1	-26	0	0	0	112.9	D3 P9 L10	D3-D7 PolarHBondContact O-N 2.92Å; D7-P9 VanDerWaalsContact C-CD 3.49Å; D7-L10 WeakPolarHBondContact O-CB 3.4Å; D7-L10 PolarHBondContact O-N 2.99Å
8	L	75.3	Confident	78	Confident	57 Å²	57	85.5 Å²	85.5	30%	0.298	42%	0.416	S	S	.	.	H	α-helix	trans	-54	-40	-177.1	-176.4	72.3	0	0	0	114.9	K4 L10 M210	K4-L8 PolarHBondContact O-N 3.35Å; L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 PolarHBondContact O-N 3.25Å; L8-M210 HydrophobicContact CD2-CE 3.84Å; L8-M210 HydrophobicContact CD2-SD 3.71Å
9	P	76.1	Confident	78.6	Confident	2 Å²	2	84.3 Å²	84.3	1%	0.013	42%	0.417	C	S	.	.	H	α-helix	trans	-62.4	-30.9	172.6	-23.1	33.9	0	0	0	114.6	L6 D7 E11 L15 F16 H77 Y80	L6-P9 WeakPolarHBondContact O-CD 3.47Å; D7-P9 VanDerWaalsContact C-CD 3.49Å; P9-E11 VanDerWaalsContact C-N 3.32Å; P9-L15 HydrophobicContact CB-CD2 3.68Å; P9-L15 HydrophobicContact CG-CD2 3.88Å; P9-F16 HydrophobicContact CB-CZ 4.42Å; P9-H77 PolarHBondContact O-CE1 2.67Å; P9-H77 VanDerWaalsContact O-CE1 3.32Å; P9-Y80 HydrophobicContact CG-CD1 3.68Å; P9-Y80 HydrophobicContact CG-CE1 3.37Å; P9-Y80 HydrophobicContact CG-CG 4.4Å
10	L	78.9	Confident	79.3	Confident	128 Å²	128	84.3 Å²	84.3	67%	0.67	42%	0.415	S	S	*	.	H	α-helix	trans	-74.5	-26.8	-175	-57.9	174.5	0	0	0	112	D7 L8	D7-L10 WeakPolarHBondContact O-CB 3.4Å; D7-L10 PolarHBondContact O-N 2.99Å; L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 PolarHBondContact O-N 3.25Å
11	E	81.1	Confident	80	Confident	152 Å²	152	81.1 Å²	81.1	71%	0.71	40%	0.4	S	S	*	.	H	α-helix	trans	-79.5	-29.6	-179.5	-63.3	179.6	171.1	0	0	113.1	P9	P9-E11 VanDerWaalsContact C-N 3.32Å
12	K	80.7	Confident	81.8	Confident	114 Å²	114	75.5 Å²	75.5	50%	0.496	37%	0.371	S	S	.	.	S	Bend	trans	-100.6	115.9	-174.6	-69.4	-176.5	-178.8	179.5	0	111.1	D14 L15	K12-D14 PolarHBondContact O-N 3.17Å; K12-L15 HydrophobicContact CD-CD1 4.24Å
13	Q	76.2	Confident	83.1	Confident	196 Å²	196	76.5 Å²	76.5	92%	0.916	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	133.3	169.4	-68.5	-174.7	-8.4	0	0	110.7	L15	Q13-L15 PolarHBondContact O-N 3.42Å
14	D	83.3	Confident	84.4	Confident	56 Å²	56	73.1 Å²	73.1	30%	0.299	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	43.2	176.5	-160.6	18.9	0	0	0	115.4	K12 F16 R17 V18 S19	K12-D14 PolarHBondContact O-N 3.17Å; D14-F16 PolarHBondContact O-N 3.05Å; D14-F16 VanDerWaalsContact O-N 3.09Å; D14-R17 PolarHBondContact O-N 3.23Å; D14-R17 WeakPolarHBondContact OD1-CA 3.3Å; D14-R17 PolarHBondContact OD1-N 2.97Å; D14-V18 PolarHBondContact OD1-N 3.26Å; D14-S19 VanDerWaalsContact OD2-CB 3.22Å; D14-S19 WeakPolarHBondContact OD2-CB 3.35Å; D14-S19 PolarHBondContact OD2-N 3.09Å; D14-S19 PolarHBondContact OD2-OG 3.11Å
15	L	84.9	Confident	85.6	Confident	31 Å²	31	71.8 Å²	71.8	16%	0.162	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.4	179.1	-179.8	66.2	0	0	0	113.1	P9 K12 Q13 M210	P9-L15 HydrophobicContact CB-CD2 3.68Å; P9-L15 HydrophobicContact CG-CD2 3.88Å; K12-L15 HydrophobicContact CD-CD1 4.24Å; Q13-L15 PolarHBondContact O-N 3.42Å; L15-M210 HydrophobicContact CD2-CE 4.08Å
16	F	88.3	Confident	86.7	Confident	11 Å²	11	73.7 Å²	73.7	5%	0.048	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	3.5	-175.1	-51	-73.3	0	0	0	113.8	P9 D14 V18 A76 H77 Y80 R202 A203 K206	P9-F16 HydrophobicContact CB-CZ 4.42Å; D14-F16 PolarHBondContact O-N 3.05Å; D14-F16 VanDerWaalsContact O-N 3.09Å; F16-V18 VanDerWaalsContact C-N 3.3Å; F16-V18 HydrophobicContact CB-CG2 4.13Å; F16-V18 PolarHBondContact O-N 3.04Å; F16-A76 HydrophobicContact CB-CB 4.1Å; F16-A76 HydrophobicContact CD1-CB 4.33Å; F16-A76 HydrophobicContact CD2-CB 3.3Å; F16-A76 HydrophobicContact CE2-CB 3.69Å; F16-A76 HydrophobicContact CG-CB 3.65Å; F16-A76 HydrophobicContact CZ-CB 4.36Å; F16-H77 AromaticContact CE2-CE1 3.66Å; F16-H77 AromaticContact CE2-CG 3.93Å; F16-H77 AromaticContact CE2-ND1 3.71Å; F16-H77 AromaticContact CE2-NE2 3.84Å; F16-Y80 HydrophobicContact CE1-CD2 4Å; F16-Y80 HydrophobicContact CE1-CG 4.24Å; F16-Y80 HydrophobicContact CZ-CD2 4.27Å; F16-Y80 HydrophobicContact CZ-CG 4.07Å; F16-R202 PolarHBondContact O-NH1 2.98Å; F16-A203 HydrophobicContact CD1-CB 4.2Å; F16-A203 HydrophobicContact CE1-CB 4.1Å; F16-K206 HydrophobicContact CE1-CB 4.48Å; F16-K206 HydrophobicContact CE1-CG 4.47Å
17	R	89.9	Confident	87.6	Confident	153 Å²	153	70.5 Å²	70.5	58%	0.577	35%	0.347	S	S	*	.			trans	53.4	48.3	-178.6	-54.1	175.3	69	-167.3	0.2	111.1	D14 S19 E20 R202	D14-R17 PolarHBondContact O-N 3.23Å; D14-R17 WeakPolarHBondContact OD1-CA 3.3Å; D14-R17 PolarHBondContact OD1-N 2.97Å; R17-S19 VanDerWaalsContact C-N 3.26Å; R17-E20 HydrophobicContact CB-CG 4.3Å; R17-E20 WeakPolarHBondContact CB-OE1 3.27Å; R17-E20 IonicContact CZ-OE1 3.57Å; R17-E20 IonicContact CZ-OE2 2.79Å; R17-E20 IonicContact NE-OE1 2.78Å; R17-E20 IonicContact NE-OE2 3.15Å; R17-E20 PolarHBondContact NE-OE2 3.36Å; R17-E20 IonicContact NH1-OE2 2.84Å; R17-E20 IonicContact NH2-OE2 3.81Å; R17-E20 PolarHBondContact NH2-OE2 3.39Å; R17-E20 WeakPolarHBondContact O-CG 3.49Å; R17-R202 PolarHBondContact O-NH1 3.45Å
18	V	90.6	Very high	88.5	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.018	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-65.3	-34.2	177.6	179.7	0	0	0	0	110.7	D14 F16 E20 L21 L72 D73	D14-V18 PolarHBondContact OD1-N 3.26Å; F16-V18 VanDerWaalsContact C-N 3.3Å; F16-V18 HydrophobicContact CB-CG2 4.13Å; F16-V18 PolarHBondContact O-N 3.04Å; V18-E20 PolarHBondContact O-N 2.85Å; V18-L21 HydrophobicContact CB-CD1 4.47Å; V18-L21 HydrophobicContact CG1-CD1 4.24Å; V18-L21 WeakPolarHBondContact O-CB 3.25Å; V18-L21 PolarHBondContact O-N 2.9Å; V18-L21 VanDerWaalsContact O-N 3.17Å; V18-L72 HydrophobicContact CG1-CB 3.48Å; V18-L72 VanDerWaalsContact CG1-CB 3.48Å; V18-L72 HydrophobicContact CG1-CD1 3.86Å; V18-L72 HydrophobicContact CG1-CG 4.34Å; V18-D73 HydrophobicContact CG2-CB 4.45Å
19	S	89.2	Confident	89.5	Confident	62 Å²	62	74 Å²	74	43%	0.434	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-58.2	-29.6	-179.3	57	0	0	0	0	114.2	D14 R17	D14-S19 VanDerWaalsContact OD2-CB 3.22Å; D14-S19 WeakPolarHBondContact OD2-CB 3.35Å; D14-S19 PolarHBondContact OD2-N 3.09Å; D14-S19 PolarHBondContact OD2-OG 3.11Å; R17-S19 VanDerWaalsContact C-N 3.26Å
20	E	92.5	Very high	90.5	Very high	84 Å²	84	74.2 Å²	74.2	39%	0.393	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-85.2	-7.8	-177	86.9	-166.5	168.2	0	0	113.9	R17 V18 R202	R17-E20 HydrophobicContact CB-CG 4.3Å; R17-E20 WeakPolarHBondContact CB-OE1 3.27Å; R17-E20 IonicContact CZ-OE1 3.57Å; R17-E20 IonicContact CZ-OE2 2.79Å; R17-E20 IonicContact NE-OE1 2.78Å; R17-E20 IonicContact NE-OE2 3.15Å; R17-E20 PolarHBondContact NE-OE2 3.36Å; R17-E20 IonicContact NH1-OE2 2.84Å; R17-E20 IonicContact NH2-OE2 3.81Å; R17-E20 PolarHBondContact NH2-OE2 3.39Å; R17-E20 WeakPolarHBondContact O-CG 3.49Å; V18-E20 PolarHBondContact O-N 2.85Å; E20-R202 IonicContact OE1-CZ 3.41Å; E20-R202 IonicContact OE1-NH1 2.9Å; E20-R202 PolarHBondContact OE1-NH1 3.45Å; E20-R202 IonicContact OE1-NH2 3.8Å; E20-R202 PolarHBondContact OE1-NH2 2.89Å
21	L	93.3	Very high	91.4	Very high	19 Å²	19	74.9 Å²	74.9	10%	0.099	36%	0.356	C	S	.	.	S	Bend	trans	-74.2	-29.5	-169.8	-71.8	173.3	0	0	0	114.1	V18 L72 L195 T198 V199	V18-L21 HydrophobicContact CB-CD1 4.47Å; V18-L21 HydrophobicContact CG1-CD1 4.24Å; V18-L21 WeakPolarHBondContact O-CB 3.25Å; V18-L21 PolarHBondContact O-N 2.9Å; V18-L21 VanDerWaalsContact O-N 3.17Å; L21-L72 HydrophobicContact CD1-CD1 4.33Å; L21-L195 HydrophobicContact CB-CD2 3.92Å; L21-T198 HydrophobicContact CD2-CG2 3.59Å; L21-V199 HydrophobicContact CD1-CG2 3.16Å
22	F	95.9	Very high	92.2	Very high	3 Å²	3	67.6 Å²	67.6	1%	0.013	32%	0.322	C	S	.	.			trans	-153.4	153.7	-178.2	69.7	-87	0	0	0	110.7	L27 A65 L68 R69 L72 L195	F22-L27 HydrophobicContact CD2-CD1 4.04Å; F22-L27 HydrophobicContact CD2-CD2 4.11Å; F22-L27 HydrophobicContact CD2-CG 3.95Å; F22-L27 HydrophobicContact CE2-CD1 3.85Å; F22-L27 HydrophobicContact CE2-CD2 4.39Å; F22-L27 HydrophobicContact CE2-CG 4.26Å; F22-A65 HydrophobicContact CE2-CB 3.98Å; F22-L68 HydrophobicContact CD1-CD2 4.28Å; F22-L68 HydrophobicContact CD2-CD2 4.39Å; F22-L68 HydrophobicContact CE1-CB 4.47Å; F22-L68 HydrophobicContact CE1-CD2 3.8Å; F22-L68 HydrophobicContact CE1-CG 3.86Å; F22-L68 HydrophobicContact CE2-CD2 3.94Å; F22-L68 HydrophobicContact CZ-CB 3.92Å; F22-L68 HydrophobicContact CZ-CD2 3.6Å; F22-L68 HydrophobicContact CZ-CG 3.75Å; F22-R69 HydrophobicContact CE1-CG 4.1Å; F22-R69 HydrophobicContact CZ-CG 3.82Å; F22-L72 HydrophobicContact CD1-CD1 4.22Å; F22-L72 HydrophobicContact CE1-CD1 3.8Å; F22-L195 HydrophobicContact CB-CD1 4.35Å; F22-L195 HydrophobicContact CB-CD2 4.11Å; F22-L195 HydrophobicContact CD1-CD1 4.04Å; F22-L195 HydrophobicContact CD1-CD2 4.18Å; F22-L195 HydrophobicContact CG-CD1 4.3Å
23	T	96.8	Very high	93	Very high	73 Å²	73	63.6 Å²	63.6	45%	0.448	31%	0.305	S	S	.	.			trans	-112.4	164.3	171.8	64.3	0	0	0	0	110.1	K25 D26 L27	T23-K25 PolarHBondContact O-N 3.48Å; T23-D26 PolarHBondContact N-OD2 3.42Å; T23-D26 WeakPolarHBondContact O-CB 3.48Å; T23-D26 PolarHBondContact O-N 2.72Å; T23-D26 PolarHBondContact OG1-N 3.39Å; T23-D26 PolarHBondContact OG1-OD2 3.32Å; T23-L27 PolarHBondContact O-N 3.44Å
24	V	96.6	Very high	94	Very high	53 Å²	53	57.8 Å²	57.8	32%	0.321	28%	0.28	S	S	.	.	H	α-helix	trans	-58.9	-33.8	173.6	178.3	0	0	0	0	110.8	D26 L27 F28 L61 A65	V24-D26 PolarHBondContact O-N 2.98Å; V24-L27 WeakPolarHBondContact O-CB 3.32Å; V24-L27 PolarHBondContact O-N 2.88Å; V24-F28 PolarHBondContact O-N 3.37Å; V24-L61 HydrophobicContact CG1-CB 4.04Å; V24-L61 HydrophobicContact CG1-CD1 4.3Å; V24-A65 HydrophobicContact CG2-CB 4.25Å
25	K	96.9	Very high	94.5	Very high	144 Å²	144	55.7 Å²	55.7	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-60	-43.6	174.1	-174.7	178.7	178.1	-175.3	0	112	T23 L27 F28 D29	T23-K25 PolarHBondContact O-N 3.48Å; K25-L27 VanDerWaalsContact C-N 3.3Å; K25-L27 PolarHBondContact O-N 3.39Å; K25-F28 WeakPolarHBondContact O-CB 3.36Å; K25-F28 PolarHBondContact O-N 2.97Å; K25-F28 VanDerWaalsContact O-N 3.14Å; K25-D29 WeakPolarHBondContact O-CB 3.38Å; K25-D29 PolarHBondContact O-N 3.45Å
26	D	96.8	Very high	95.1	Very high	59 Å²	59	56 Å²	56	32%	0.316	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-36.8	178.3	-56.3	-44	0	0	0	112.1	T23 V24 A30	T23-D26 PolarHBondContact N-OD2 3.42Å; T23-D26 WeakPolarHBondContact O-CB 3.48Å; T23-D26 PolarHBondContact O-N 2.72Å; T23-D26 PolarHBondContact OG1-N 3.39Å; T23-D26 PolarHBondContact OG1-OD2 3.32Å; V24-D26 PolarHBondContact O-N 2.98Å; D26-A30 VanDerWaalsContact O-CB 3.27Å; D26-A30 WeakPolarHBondContact O-CB 3.49Å; D26-A30 PolarHBondContact O-N 3.47Å
27	L	97.2	Very high	95.5	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-40.1	174.1	-62.3	176.3	0	0	0	111.5	F22 T23 V24 K25 A30 R31 V32 L61 T64 A65 L68 L191	F22-L27 HydrophobicContact CD2-CD1 4.04Å; F22-L27 HydrophobicContact CD2-CD2 4.11Å; F22-L27 HydrophobicContact CD2-CG 3.95Å; F22-L27 HydrophobicContact CE2-CD1 3.85Å; F22-L27 HydrophobicContact CE2-CD2 4.39Å; F22-L27 HydrophobicContact CE2-CG 4.26Å; T23-L27 PolarHBondContact O-N 3.44Å; V24-L27 WeakPolarHBondContact O-CB 3.32Å; V24-L27 PolarHBondContact O-N 2.88Å; K25-L27 VanDerWaalsContact C-N 3.3Å; K25-L27 PolarHBondContact O-N 3.39Å; L27-A30 PolarHBondContact O-N 2.93Å; L27-R31 PolarHBondContact O-N 2.95Å; L27-V32 HydrophobicContact CB-CB 4.27Å; L27-V32 HydrophobicContact CB-CG2 4.39Å; L27-V32 HydrophobicContact CD2-CG2 4.17Å; L27-V32 WeakPolarHBondContact O-CB 3.36Å; L27-V32 WeakPolarHBondContact O-CG2 3.34Å; L27-V32 PolarHBondContact O-N 3.13Å; L27-L61 HydrophobicContact CB-CD1 4.38Å; L27-L61 HydrophobicContact CB-CD2 3.99Å; L27-T64 HydrophobicContact CD1-CG2 4.12Å; L27-A65 HydrophobicContact CD1-CB 4.04Å; L27-L68 HydrophobicContact CD2-CD2 3.92Å; L27-L191 HydrophobicContact CD2-CD2 3.94Å
28	F	97.4	Very high	95.6	Very high	115 Å²	115	58.9 Å²	58.9	50%	0.504	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-49.6	176.7	-173.8	-91.5	0	0	0	111.5	V24 K25 A30 R31 H33 L61	V24-F28 PolarHBondContact O-N 3.37Å; K25-F28 WeakPolarHBondContact O-CB 3.36Å; K25-F28 PolarHBondContact O-N 2.97Å; K25-F28 VanDerWaalsContact O-N 3.14Å; F28-A30 PolarHBondContact O-N 3.46Å; F28-R31 WeakPolarHBondContact O-CA 3.39Å; F28-R31 PolarHBondContact O-N 3Å; F28-H33 AromaticContact CD2-CE1 3.66Å; F28-H33 AromaticContact CD2-ND1 3.62Å; F28-H33 AromaticContact CE2-CE1 3.62Å; F28-H33 AromaticContact CE2-ND1 3.99Å; F28-H33 AromaticContact CE2-NE2 3.89Å; F28-H33 PolarHBondContact O-CE1 3.07Å; F28-L61 HydrophobicContact CB-CD1 3.89Å; F28-L61 HydrophobicContact CD2-CD1 4.07Å
29	D	97.3	Very high	95.8	Very high	96 Å²	96	62.6 Å²	62.6	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-33.5	179.3	-69.8	-17.6	0	0	0	111.5	K25 R31	K25-D29 WeakPolarHBondContact O-CB 3.38Å; K25-D29 PolarHBondContact O-N 3.45Å; D29-R31 PolarHBondContact O-N 3.36Å
30	A	97.4	Very high	96	Very high	6 Å²	6	63 Å²	63	5%	0.05	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	2.6	174.3	0	0	0	0	0	114.8	D26 L27 F28 V32 V187 A188 L191	D26-A30 VanDerWaalsContact O-CB 3.27Å; D26-A30 WeakPolarHBondContact O-CB 3.49Å; D26-A30 PolarHBondContact O-N 3.47Å; L27-A30 PolarHBondContact O-N 2.93Å; F28-A30 PolarHBondContact O-N 3.46Å; A30-V32 VanDerWaalsContact C-N 3.28Å; A30-V32 HydrophobicContact CB-CG2 4.12Å; A30-V32 PolarHBondContact O-N 3.31Å; A30-V187 HydrophobicContact CB-CG1 4.05Å; A30-A188 PolarHBondContact O-N 3.44Å; A30-L191 HydrophobicContact CB-CB 4.18Å; A30-L191 HydrophobicContact CB-CD2 3.49Å; A30-L191 VanDerWaalsContact CB-CD2 3.49Å; A30-L191 HydrophobicContact CB-CG 4.42Å
31	R	97.3	Very high	96.2	Very high	142 Å²	142	62.3 Å²	62.3	54%	0.536	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	31	179.2	-50.9	-177.4	-174.7	179.2	-0	114.2	L27 F28 D29 H33 L34 N182	L27-R31 PolarHBondContact O-N 2.95Å; F28-R31 WeakPolarHBondContact O-CA 3.39Å; F28-R31 PolarHBondContact O-N 3Å; D29-R31 PolarHBondContact O-N 3.36Å; R31-H33 PolarHBondContact O-N 3.32Å; R31-L34 HydrophobicContact CB-CD1 3.85Å; R31-L34 HydrophobicContact CB-CG 4.25Å; R31-L34 HydrophobicContact CG-CD1 4.39Å; R31-L34 PolarHBondContact O-N 3.5Å; R31-N182 WeakPolarHBondContact O-CB 3.31Å; R31-N182 PolarHBondContact O-ND2 3.47Å
32	V	97.6	Very high	96.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.9	179.5	173.9	0	0	0	0	112.4	L27 A30 L34 L61 T64 N182 A188 L191 Y192	L27-V32 HydrophobicContact CB-CB 4.27Å; L27-V32 HydrophobicContact CB-CG2 4.39Å; L27-V32 HydrophobicContact CD2-CG2 4.17Å; L27-V32 WeakPolarHBondContact O-CB 3.36Å; L27-V32 WeakPolarHBondContact O-CG2 3.34Å; L27-V32 PolarHBondContact O-N 3.13Å; A30-V32 VanDerWaalsContact C-N 3.28Å; A30-V32 HydrophobicContact CB-CG2 4.12Å; A30-V32 PolarHBondContact O-N 3.31Å; V32-L34 VanDerWaalsContact C-N 3.27Å; V32-L34 PolarHBondContact O-N 2.78Å; V32-L61 HydrophobicContact CB-CD2 4.07Å; V32-L61 HydrophobicContact CG1-CD2 4.01Å; V32-T64 HydrophobicContact CG1-CG2 3.93Å; V32-N182 WeakPolarHBondContact O-CB 3.22Å; V32-N182 PolarHBondContact O-N 2.96Å; V32-A188 HydrophobicContact CG2-CB 4.14Å; V32-L191 HydrophobicContact CG2-CD2 4.22Å; V32-Y192 WeakPolarHBondContact CG1-OH 3.34Å
33	H	97.1	Very high	96.4	Very high	30 Å²	30	73.5 Å²	73.5	14%	0.139	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-13.5	-178.6	60.2	-84.8	0	0	0	114.4	F28 R31 G35 I58 I59 L61	F28-H33 AromaticContact CD2-CE1 3.66Å; F28-H33 AromaticContact CD2-ND1 3.62Å; F28-H33 AromaticContact CE2-CE1 3.62Å; F28-H33 AromaticContact CE2-ND1 3.99Å; F28-H33 AromaticContact CE2-NE2 3.89Å; F28-H33 PolarHBondContact O-CE1 3.07Å; R31-H33 PolarHBondContact O-N 3.32Å; H33-G35 PolarHBondContact O-N 3.1Å; H33-I58 HydrophobicContact CB-CG2 4.43Å; H33-I58 WeakPolarHBondContact O-CA 3.23Å; H33-I59 PolarHBondContact O-N 2.94Å; H33-L61 HydrophobicContact CB-CD1 4Å; H33-L61 HydrophobicContact CB-CD2 3.84Å; H33-L61 HydrophobicContact CB-CG 3.83Å
34	L	96.8	Very high	96.3	Very high	73 Å²	73	73.6 Å²	73.6	38%	0.382	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119.7	-178.1	-61.2	-179.6	0	0	0	110.2	R31 V32 N182	R31-L34 HydrophobicContact CB-CD1 3.85Å; R31-L34 HydrophobicContact CB-CG 4.25Å; R31-L34 HydrophobicContact CG-CD1 4.39Å; R31-L34 PolarHBondContact O-N 3.5Å; V32-L34 VanDerWaalsContact C-N 3.27Å; V32-L34 PolarHBondContact O-N 2.78Å; L34-N182 VanDerWaalsContact O-CB 3.31Å; L34-N182 WeakPolarHBondContact O-CB 3.5Å
35	G	95.7	Very high	96.3	Very high	12 Å²	12	71 Å²	71	12%	0.124	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-176.6	170.1	0	0	0	0	0	113	H33 D57	H33-G35 PolarHBondContact O-N 3.1Å; G35-D57 VanDerWaalsContact CA-O 3.27Å; G35-D57 WeakPolarHBondContact CA-O 3.26Å; G35-D57 PolarHBondContact N-O 3.4Å
36	H	96	Very high	96.3	Very high	37 Å²	37	69.1 Å²	69.1	17%	0.171	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	177.4	175.3	-70	67.9	0	0	0	112.8	C40 D57 D167 S168 N169 D184	H36-C40 HydrophobicContact CB-CB 4.1Å; H36-D57 WeakPolarHBondContact O-CB 3.47Å; H36-D57 PolarHBondContact O-N 2.87Å; H36-D167 VanDerWaalsContact CE1-CG 3.46Å; H36-D167 IonicContact CE1-OD1 3.21Å; H36-D167 IonicContact CE1-OD2 3.19Å; H36-D167 PolarHBondContact CE1-OD2 3.04Å; H36-D167 IonicContact ND1-OD1 3.68Å; H36-D167 PolarHBondContact ND1-OD1 2.93Å; H36-D167 IonicContact ND1-OD2 3.65Å; H36-D167 PolarHBondContact ND1-OD2 3.15Å; H36-S168 WeakPolarHBondContact CB-OG 3.34Å; H36-S168 PolarHBondContact N-OG 3.37Å; H36-N169 PolarHBondContact NE2-ND2 3.35Å; H36-D184 IonicContact CE1-OD2 2.97Å; H36-D184 PolarHBondContact CE1-OD2 3.36Å; H36-D184 IonicContact NE2-OD2 3.2Å; H36-D184 PolarHBondContact NE2-OD2 2.93Å
37	K	96.4	Very high	96.2	Very high	116 Å²	116	70.2 Å²	70.2	50%	0.504	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	148.8	173.2	-65.9	-173	176.9	-171.5	0	111.6	G39 C40 D55 Y56	K37-G39 PolarHBondContact O-N 2.57Å; K37-C40 WeakPolarHBondContact O-CA 3.25Å; K37-C40 WeakPolarHBondContact O-CB 3.38Å; K37-C40 PolarHBondContact O-N 3.33Å; K37-D55 CarbonylContact C-O 3.04Å; K37-D55 WeakPolarHBondContact CA-O 3.44Å; K37-Y56 WeakPolarHBondContact CE-OH 3.37Å; K37-Y56 HydrophobicContact CG-CD1 4.24Å; K37-Y56 HydrophobicContact CG-CE1 3.94Å
38	K	93.9	Very high	96.2	Very high	109 Å²	109	72.8 Å²	72.8	47%	0.474	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-52.1	-31.9	177.2	-174.9	173.4	-179.2	176.5	0	113.8	C40 R41 D55	K38-C40 VanDerWaalsContact C-N 3.29Å; K38-C40 PolarHBondContact O-N 2.69Å; K38-R41 WeakPolarHBondContact O-CB 3.29Å; K38-R41 PolarHBondContact O-N 3.26Å; K38-D55 PolarHBondContact N-O 2.83Å
39	G	94	Very high	96.1	Very high	81 Å²	81	68.2 Å²	68.2	84%	0.835	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-69.5	-21.2	175.8	0	0	0	0	0	114.8	K37	K37-G39 PolarHBondContact O-N 2.57Å
40	C	93.9	Very high	96.1	Very high	71 Å²	71	71.9 Å²	71.9	48%	0.48	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-94.6	-1.1	175.8	-60.4	0	0	0	0	112.6	H36 K37 K38 H42 N169	H36-C40 HydrophobicContact CB-CB 4.1Å; K37-C40 WeakPolarHBondContact O-CA 3.25Å; K37-C40 WeakPolarHBondContact O-CB 3.38Å; K37-C40 PolarHBondContact O-N 3.33Å; K38-C40 VanDerWaalsContact C-N 3.29Å; K38-C40 PolarHBondContact O-N 2.69Å; C40-H42 PolarHBondContact O-N 3.06Å; C40-N169 HydrophobicContact CB-CB 4.39Å; C40-N169 WeakPolarHBondContact O-CA 3.44Å; C40-N169 WeakPolarHBondContact O-CB 3.31Å
41	R	95.6	Very high	95.9	Very high	70 Å²	70	76.2 Å²	76.2	26%	0.264	37%	0.373	S	S	.	.			trans	-61.8	130.8	-175.9	-172.9	-173.5	-65	-175.9	-4	111.3	K38 L49 D57	K38-R41 WeakPolarHBondContact O-CB 3.29Å; K38-R41 PolarHBondContact O-N 3.26Å; R41-L49 HydrophobicContact CG-CD1 3.86Å; R41-L49 VanDerWaalsContact NE-CD1 3.35Å; R41-D57 WeakPolarHBondContact CB-OD2 3.4Å; R41-D57 WeakPolarHBondContact CG-OD2 3.37Å; R41-D57 IonicContact CZ-OD1 3.7Å; R41-D57 IonicContact CZ-OD2 2.75Å; R41-D57 IonicContact NE-OD1 2.84Å; R41-D57 PolarHBondContact NE-OD1 2.92Å; R41-D57 IonicContact NE-OD2 2.92Å; R41-D57 PolarHBondContact NE-OD2 3.18Å; R41-D57 IonicContact NH2-OD1 3.73Å; R41-D57 PolarHBondContact NH2-OD1 3Å; R41-D57 IonicContact NH2-OD2 3.58Å
42	H	96.4	Very high	95.7	Very high	60 Å²	60	71.2 Å²	71.2	28%	0.278	36%	0.36	S	S	.	.			trans	-85.6	135	169.5	-170.2	-91.9	0	0	0	110.3	C40 L44 M45 S168 C170	C40-H42 PolarHBondContact O-N 3.06Å; H42-L44 PolarHBondContact ND1-N 2.92Å; H42-L44 VanDerWaalsContact ND1-N 3.2Å; H42-L44 PolarHBondContact O-N 3.28Å; H42-L44 VanDerWaalsContact O-N 3.16Å; H42-M45 HydrophobicContact CB-CG 4.24Å; H42-M45 WeakPolarHBondContact O-CB 3.42Å; H42-M45 PolarHBondContact O-N 3.18Å; H42-S168 PolarHBondContact N-O 3.35Å; H42-C170 VanDerWaalsContact CB-O 3.31Å; H42-C170 WeakPolarHBondContact CB-O 3.41Å; H42-C170 VanDerWaalsContact CG-O 3.32Å; H42-C170 PolarHBondContact ND1-O 3.09Å
43	R	96.3	Very high	95.4	Very high	197 Å²	197	74.2 Å²	74.2	74%	0.743	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-55	-38.2	-176.8	-174.8	177.2	178.6	-178.6	-0.3	113.4	M45 E46	R43-M45 PolarHBondContact O-N 2.83Å; R43-E46 WeakPolarHBondContact O-CB 3.47Å; R43-E46 VanDerWaalsContact O-CG 3.26Å; R43-E46 WeakPolarHBondContact O-CG 3.42Å; R43-E46 PolarHBondContact O-N 3.02Å
44	L	96.7	Very high	95.2	Very high	74 Å²	74	80.1 Å²	80.1	39%	0.387	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-77.4	-8.2	-179.4	-59.9	-179	0	0	0	114.2	H42 P47 N171 P172 S173	H42-L44 PolarHBondContact ND1-N 2.92Å; H42-L44 VanDerWaalsContact ND1-N 3.2Å; H42-L44 PolarHBondContact O-N 3.28Å; H42-L44 VanDerWaalsContact O-N 3.16Å; L44-P47 WeakPolarHBondContact O-CD 3.41Å; L44-N171 WeakPolarHBondContact CD1-OD1 3.36Å; L44-P172 HydrophobicContact CB-CG 4.09Å; L44-S173 WeakPolarHBondContact CD1-OG 3.34Å
45	M	96.5	Very high	95	Very high	0 Å²	0	82.1 Å²	82.1	0%	0	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-86.8	-14.1	173.1	-73	-60.6	-62.3	0	0	112.6	H42 R43 P47 Y48 L49 V166 D167 C170 P172 P180	H42-M45 HydrophobicContact CB-CG 4.24Å; H42-M45 WeakPolarHBondContact O-CB 3.42Å; H42-M45 PolarHBondContact O-N 3.18Å; R43-M45 PolarHBondContact O-N 2.83Å; M45-P47 VanDerWaalsContact C-N 3.31Å; M45-P47 VanDerWaalsContact O-N 3.15Å; M45-Y48 HydrophobicContact CE-CD2 4.28Å; M45-Y48 HydrophobicContact CE-CG 4.41Å; M45-Y48 WeakPolarHBondContact O-CB 3.26Å; M45-Y48 PolarHBondContact O-N 3.43Å; M45-Y48 HydrophobicContact SD-CD2 4.06Å; M45-L49 PolarHBondContact O-N 2.92Å; M45-V166 HydrophobicContact CE-CB 4.31Å; M45-V166 HydrophobicContact CE-CG2 3.91Å; M45-V166 HydrophobicContact SD-CB 4.08Å; M45-V166 HydrophobicContact SD-CG2 3.88Å; M45-D167 WeakPolarHBondContact CE-O 3.32Å; M45-C170 WeakPolarHBondContact CG-O 3.28Å; M45-P172 HydrophobicContact SD-CB 4.31Å; M45-P172 HydrophobicContact SD-CG 3.86Å; M45-P180 HydrophobicContact CE-CB 4.18Å
46	E	95	Very high	95	Very high	103 Å²	103	87.3 Å²	87.3	48%	0.481	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-47.6	-42.1	179.6	-69.3	170.2	-177	0	0	114.4	R43 Y48 L49	R43-E46 WeakPolarHBondContact O-CB 3.47Å; R43-E46 VanDerWaalsContact O-CG 3.26Å; R43-E46 WeakPolarHBondContact O-CG 3.42Å; R43-E46 PolarHBondContact O-N 3.02Å; E46-Y48 PolarHBondContact O-N 2.63Å; E46-L49 PolarHBondContact O-N 3.02Å
47	P	95.9	Very high	95	Very high	82 Å²	82	85.6 Å²	85.6	53%	0.532	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-67.3	-22.1	179.3	-20.4	34.2	0	0	0	114.5	L44 M45 K63	L44-P47 WeakPolarHBondContact O-CD 3.41Å; M45-P47 VanDerWaalsContact C-N 3.31Å; M45-P47 VanDerWaalsContact O-N 3.15Å; P47-K63 VanDerWaalsContact O-CE 3.29Å; P47-K63 WeakPolarHBondContact O-CE 3.21Å; P47-K63 PolarHBondContact O-NZ 3.06Å
48	Y	96.4	Very high	95.1	Very high	55 Å²	55	82.5 Å²	82.5	22%	0.216	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-93	-7	-178.6	-60.8	-77.5	0	0	0	113	M45 E46 D60 K63 D67 P172 P180	M45-Y48 HydrophobicContact CE-CD2 4.28Å; M45-Y48 HydrophobicContact CE-CG 4.41Å; M45-Y48 WeakPolarHBondContact O-CB 3.26Å; M45-Y48 PolarHBondContact O-N 3.43Å; M45-Y48 HydrophobicContact SD-CD2 4.06Å; E46-Y48 PolarHBondContact O-N 2.63Å; Y48-D60 WeakPolarHBondContact O-CB 3.49Å; Y48-D60 PolarHBondContact O-N 3.42Å; Y48-K63 HydrophobicContact CD1-CD 4.41Å; Y48-D67 WeakPolarHBondContact CE1-OD2 3.44Å; Y48-P172 HydrophobicContact CE2-CB 4.47Å; Y48-P172 HydrophobicContact CE2-CG 4.19Å; Y48-P180 HydrophobicContact CD1-CB 3.98Å; Y48-P180 HydrophobicContact CD1-CG 3.69Å; Y48-P180 HydrophobicContact CE1-CG 4.34Å; Y48-P180 HydrophobicContact CG-CB 4.05Å; Y48-P180 HydrophobicContact CG-CG 4.28Å
49	L	96.1	Very high	95.2	Very high	18 Å²	18	77.4 Å²	77.4	9%	0.094	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	139	177	-60.4	-179.8	0	0	0	110	R41 M45 E46 D57 I58 I59	R41-L49 HydrophobicContact CG-CD1 3.86Å; R41-L49 VanDerWaalsContact NE-CD1 3.35Å; M45-L49 PolarHBondContact O-N 2.92Å; E46-L49 PolarHBondContact O-N 3.02Å; L49-D57 HydrophobicContact CD1-CB 4.03Å; L49-D57 WeakPolarHBondContact CD1-OD2 3.06Å; L49-D57 HydrophobicContact CD2-CB 4.02Å; L49-I58 CarbonylContact C-O 3.43Å; L49-I58 WeakPolarHBondContact CA-O 3.43Å; L49-I59 HydrophobicContact CD2-CG1 3.99Å
50	Y	96	Very high	95.4	Very high	174 Å²	174	74.6 Å²	74.6	68%	0.682	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	-56.1	175.1	-177.5	-97.1	0	0	0	110.6	I58	Y50-I58 PolarHBondContact N-O 3.49Å
51	D	94.6	Very high	95.6	Very high	97 Å²	97	72.1 Å²	72.1	52%	0.519	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	177.8	180	-162.8	6.3	0	0	0	110.5	I58	D51-I58 WeakPolarHBondContact O-CB 3.23Å; D51-I58 PolarHBondContact O-N 3.26Å
52	S	92.9	Very high	95.6	Very high	36 Å²	36	74.1 Å²	74.1	25%	0.252	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.6	168.6	54.3	0	0	0	0	111.3	Y56	S52-Y56 CarbonylContact C-O 3.47Å; S52-Y56 WeakPolarHBondContact CA-O 3.33Å
53	S	91.8	Very high	95.6	Very high	63 Å²	63	74.9 Å²	74.9	44%	0.441	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.8	177.9	-176.2	0	0	0	0	110.4	D55 Y56	S53-D55 PolarHBondContact O-N 3.47Å; S53-Y56 PolarHBondContact N-O 3.29Å; S53-Y56 WeakPolarHBondContact O-CB 3.37Å; S53-Y56 PolarHBondContact O-N 3.34Å
54	L	92	Very high	95.7	Very high	154 Å²	154	65.5 Å²	65.5	81%	0.806	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	41.3	-179.8	-59.1	173.3	0	0	0	113.3	Y56	L54-Y56 VanDerWaalsContact O-CD2 3.23Å; L54-Y56 WeakPolarHBondContact O-CD2 3.37Å; L54-Y56 PolarHBondContact O-N 2.88Å
55	D	92.8	Very high	95.7	Very high	115 Å²	115	62.1 Å²	62.1	62%	0.615	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	10.1	-174.6	-60.7	-40.1	0	0	0	116.4	K37 K38 S53	K37-D55 CarbonylContact C-O 3.04Å; K37-D55 WeakPolarHBondContact CA-O 3.44Å; K38-D55 PolarHBondContact N-O 2.83Å; S53-D55 PolarHBondContact O-N 3.47Å
56	Y	95	Very high	95.6	Very high	121 Å²	121	67.4 Å²	67.4	48%	0.475	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.8	169.6	-69.2	-92.9	0	0	0	110.9	K37 S52 S53 L54	K37-Y56 WeakPolarHBondContact CE-OH 3.37Å; K37-Y56 HydrophobicContact CG-CD1 4.24Å; K37-Y56 HydrophobicContact CG-CE1 3.94Å; S52-Y56 CarbonylContact C-O 3.47Å; S52-Y56 WeakPolarHBondContact CA-O 3.33Å; S53-Y56 PolarHBondContact N-O 3.29Å; S53-Y56 WeakPolarHBondContact O-CB 3.37Å; S53-Y56 PolarHBondContact O-N 3.34Å; L54-Y56 VanDerWaalsContact O-CD2 3.23Å; L54-Y56 WeakPolarHBondContact O-CD2 3.37Å; L54-Y56 PolarHBondContact O-N 2.88Å
57	D	97	Very high	95.7	Very high	1 Å²	1	63 Å²	63	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.6	176.7	-68.1	-12.7	0	0	0	110.5	G35 H36 R41 L49	G35-D57 VanDerWaalsContact CA-O 3.27Å; G35-D57 WeakPolarHBondContact CA-O 3.26Å; G35-D57 PolarHBondContact N-O 3.4Å; H36-D57 WeakPolarHBondContact O-CB 3.47Å; H36-D57 PolarHBondContact O-N 2.87Å; R41-D57 WeakPolarHBondContact CB-OD2 3.4Å; R41-D57 WeakPolarHBondContact CG-OD2 3.37Å; R41-D57 IonicContact CZ-OD1 3.7Å; R41-D57 IonicContact CZ-OD2 2.75Å; R41-D57 IonicContact NE-OD1 2.84Å; R41-D57 PolarHBondContact NE-OD1 2.92Å; R41-D57 IonicContact NE-OD2 2.92Å; R41-D57 PolarHBondContact NE-OD2 3.18Å; R41-D57 IonicContact NH2-OD1 3.73Å; R41-D57 PolarHBondContact NH2-OD1 3Å; R41-D57 IonicContact NH2-OD2 3.58Å; L49-D57 HydrophobicContact CD1-CB 4.03Å; L49-D57 WeakPolarHBondContact CD1-OD2 3.06Å; L49-D57 HydrophobicContact CD2-CB 4.02Å
58	I	97.3	Very high	95.8	Very high	51 Å²	51	59.1 Å²	59.1	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.1	175.5	-57.7	175.3	0	0	0	107.8	H33 L49 Y50 D51	H33-I58 HydrophobicContact CB-CG2 4.43Å; H33-I58 WeakPolarHBondContact O-CA 3.23Å; L49-I58 CarbonylContact C-O 3.43Å; L49-I58 WeakPolarHBondContact CA-O 3.43Å; Y50-I58 PolarHBondContact N-O 3.49Å; D51-I58 WeakPolarHBondContact O-CB 3.23Å; D51-I58 PolarHBondContact O-N 3.26Å
59	I	97.5	Very high	95.8	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	137	178.7	-58.6	174.4	0	0	0	109.5	H33 L49 L61 P180	H33-I59 PolarHBondContact O-N 2.94Å; L49-I59 HydrophobicContact CD2-CG1 3.99Å; I59-L61 PolarHBondContact O-N 3.08Å; I59-P180 HydrophobicContact CG2-CB 3.82Å
60	D	97.6	Very high	95.7	Very high	22 Å²	22	66.5 Å²	66.5	12%	0.118	32%	0.318	C	S	.	.			trans	-72.7	105.4	177.8	-174.9	-15.1	0	0	0	111.1	Y48 D62 K63 T64	Y48-D60 WeakPolarHBondContact O-CB 3.49Å; Y48-D60 PolarHBondContact O-N 3.42Å; D60-D62 VanDerWaalsContact C-N 3.29Å; D60-D62 PolarHBondContact O-N 2.83Å; D60-D62 PolarHBondContact OD1-N 3.5Å; D60-D62 VanDerWaalsContact OD1-N 3.11Å; D60-K63 HydrophobicContact CB-CB 4.35Å; D60-K63 HydrophobicContact CB-CD 4.2Å; D60-K63 HydrophobicContact CB-CG 4.32Å; D60-K63 PolarHBondContact O-N 3.4Å; D60-K63 WeakPolarHBondContact OD2-CD 3.47Å; D60-K63 WeakPolarHBondContact OD2-CE 3.49Å; D60-K63 IonicContact OD2-NZ 3.65Å; D60-K63 PolarHBondContact OD2-NZ 3.45Å; D60-T64 PolarHBondContact O-N 2.84Å; D60-T64 PolarHBondContact O-OG1 2.97Å; D60-T64 VanDerWaalsContact O-OG1 3.06Å
61	L	97.3	Very high	95.8	Very high	19 Å²	19	58.2 Å²	58.2	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-69	-23.7	-176.4	-69.6	-177.2	0	0	0	113.9	V24 L27 F28 V32 H33 I59 T64 A65	V24-L61 HydrophobicContact CG1-CB 4.04Å; V24-L61 HydrophobicContact CG1-CD1 4.3Å; L27-L61 HydrophobicContact CB-CD1 4.38Å; L27-L61 HydrophobicContact CB-CD2 3.99Å; F28-L61 HydrophobicContact CB-CD1 3.89Å; F28-L61 HydrophobicContact CD2-CD1 4.07Å; V32-L61 HydrophobicContact CB-CD2 4.07Å; V32-L61 HydrophobicContact CG1-CD2 4.01Å; H33-L61 HydrophobicContact CB-CD1 4Å; H33-L61 HydrophobicContact CB-CD2 3.84Å; H33-L61 HydrophobicContact CB-CG 3.83Å; I59-L61 PolarHBondContact O-N 3.08Å; L61-T64 PolarHBondContact O-N 2.89Å; L61-A65 WeakPolarHBondContact O-CB 3.44Å; L61-A65 PolarHBondContact O-N 3.15Å
62	D	96.9	Very high	95.9	Very high	113 Å²	113	53.6 Å²	53.6	60%	0.604	26%	0.261	S	S	*	.	H	α-helix	trans	-69.6	-44	178.2	-70.1	-31.2	0	0	0	109.5	D60 A65 E66	D60-D62 VanDerWaalsContact C-N 3.29Å; D60-D62 PolarHBondContact O-N 2.83Å; D60-D62 PolarHBondContact OD1-N 3.5Å; D60-D62 VanDerWaalsContact OD1-N 3.11Å; D62-A65 PolarHBondContact O-N 3.18Å; D62-E66 PolarHBondContact O-N 3.36Å; D62-E66 VanDerWaalsContact O-N 3.14Å
63	K	96.1	Very high	96	Very high	76 Å²	76	54.2 Å²	54.2	33%	0.33	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-44.6	171	-66.6	-177.3	-174.5	119.2	0	111.6	P47 Y48 D60 A65 E66 D67	P47-K63 VanDerWaalsContact O-CE 3.29Å; P47-K63 WeakPolarHBondContact O-CE 3.21Å; P47-K63 PolarHBondContact O-NZ 3.06Å; Y48-K63 HydrophobicContact CD1-CD 4.41Å; D60-K63 HydrophobicContact CB-CB 4.35Å; D60-K63 HydrophobicContact CB-CD 4.2Å; D60-K63 HydrophobicContact CB-CG 4.32Å; D60-K63 PolarHBondContact O-N 3.4Å; D60-K63 WeakPolarHBondContact OD2-CD 3.47Å; D60-K63 WeakPolarHBondContact OD2-CE 3.49Å; D60-K63 IonicContact OD2-NZ 3.65Å; D60-K63 PolarHBondContact OD2-NZ 3.45Å; K63-A65 VanDerWaalsContact C-N 3.27Å; K63-A65 PolarHBondContact O-N 3.1Å; K63-E66 PolarHBondContact O-N 2.91Å; K63-D67 WeakPolarHBondContact O-CB 3.35Å; K63-D67 VanDerWaalsContact O-CG 3.32Å; K63-D67 PolarHBondContact O-N 3.17Å
64	T	97.4	Very high	96.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55	-44.3	174.5	-58.3	0	0	0	0	111.7	L27 V32 D60 L61 D67 L68 V179 P180	L27-T64 HydrophobicContact CD1-CG2 4.12Å; V32-T64 HydrophobicContact CG1-CG2 3.93Å; D60-T64 PolarHBondContact O-N 2.84Å; D60-T64 PolarHBondContact O-OG1 2.97Å; D60-T64 VanDerWaalsContact O-OG1 3.06Å; L61-T64 PolarHBondContact O-N 2.89Å; T64-D67 PolarHBondContact O-N 3.19Å; T64-L68 WeakPolarHBondContact O-CB 3.24Å; T64-L68 PolarHBondContact O-N 3.29Å; T64-V179 HydrophobicContact CG2-CG1 4.26Å; T64-P180 VanDerWaalsContact CB-O 3.31Å; T64-P180 WeakPolarHBondContact CB-O 3.32Å; T64-P180 WeakPolarHBondContact CG2-O 3.42Å; T64-P180 PolarHBondContact OG1-O 3.49Å
65	A	97	Very high	96.5	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-40.9	-177.9	0	0	0	0	0	112	F22 V24 L27 L61 D62 K63 R69	F22-A65 HydrophobicContact CE2-CB 3.98Å; V24-A65 HydrophobicContact CG2-CB 4.25Å; L27-A65 HydrophobicContact CD1-CB 4.04Å; L61-A65 WeakPolarHBondContact O-CB 3.44Å; L61-A65 PolarHBondContact O-N 3.15Å; D62-A65 PolarHBondContact O-N 3.18Å; K63-A65 VanDerWaalsContact C-N 3.27Å; K63-A65 PolarHBondContact O-N 3.1Å; A65-R69 WeakPolarHBondContact O-CB 3.36Å; A65-R69 VanDerWaalsContact O-CG 3.23Å; A65-R69 WeakPolarHBondContact O-CG 3.46Å; A65-R69 PolarHBondContact O-N 3.49Å; A65-R69 VanDerWaalsContact O-N 3.08Å
66	E	96.1	Very high	96.6	Very high	111 Å²	111	41.7 Å²	41.7	52%	0.519	19%	0.187	S	C	.	.	H	α-helix	trans	-64.1	-50.3	174.9	-172.6	179.9	168.5	0	0	111.6	D62 K63 L68 R69 R70	D62-E66 PolarHBondContact O-N 3.36Å; D62-E66 VanDerWaalsContact O-N 3.14Å; K63-E66 PolarHBondContact O-N 2.91Å; E66-L68 PolarHBondContact O-N 3.37Å; E66-R69 PolarHBondContact O-N 2.75Å; E66-R70 WeakPolarHBondContact O-CG 2.99Å; E66-R70 PolarHBondContact O-N 3.41Å; E66-R70 VanDerWaalsContact O-N 3.08Å
67	D	96.8	Very high	96.6	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-41.3	-178.5	-72.3	-2.8	0	0	0	112	Y48 K63 T64 R70 A71 P178 P180	Y48-D67 WeakPolarHBondContact CE1-OD2 3.44Å; K63-D67 WeakPolarHBondContact O-CB 3.35Å; K63-D67 VanDerWaalsContact O-CG 3.32Å; K63-D67 PolarHBondContact O-N 3.17Å; T64-D67 PolarHBondContact O-N 3.19Å; D67-R70 PolarHBondContact O-N 3.34Å; D67-R70 IonicContact OD1-CZ 2.63Å; D67-R70 IonicContact OD1-NE 3.02Å; D67-R70 IonicContact OD1-NH2 3.74Å; D67-R70 PolarHBondContact OD1-NH2 2.99Å; D67-A71 WeakPolarHBondContact O-CB 3.48Å; D67-A71 PolarHBondContact O-N 2.94Å; D67-P178 WeakPolarHBondContact CB-O 3.49Å; D67-P180 VanDerWaalsContact OD2-CD 3.24Å; D67-P180 WeakPolarHBondContact OD2-CD 3.31Å
68	L	97.2	Very high	96.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-40.1	176.6	-178.5	58	0	0	0	111.5	F22 L27 T64 E66 A71 L72 V179 L195	F22-L68 HydrophobicContact CD1-CD2 4.28Å; F22-L68 HydrophobicContact CD2-CD2 4.39Å; F22-L68 HydrophobicContact CE1-CB 4.47Å; F22-L68 HydrophobicContact CE1-CD2 3.8Å; F22-L68 HydrophobicContact CE1-CG 3.86Å; F22-L68 HydrophobicContact CE2-CD2 3.94Å; F22-L68 HydrophobicContact CZ-CB 3.92Å; F22-L68 HydrophobicContact CZ-CD2 3.6Å; F22-L68 HydrophobicContact CZ-CG 3.75Å; L27-L68 HydrophobicContact CD2-CD2 3.92Å; T64-L68 WeakPolarHBondContact O-CB 3.24Å; T64-L68 PolarHBondContact O-N 3.29Å; E66-L68 PolarHBondContact O-N 3.37Å; L68-A71 PolarHBondContact O-N 3.45Å; L68-L72 HydrophobicContact CD1-CD1 4.18Å; L68-L72 HydrophobicContact CD1-CD2 4.42Å; L68-L72 HydrophobicContact CD1-CG 3.99Å; L68-L72 HydrophobicContact CG-CD1 4.07Å; L68-L72 HydrophobicContact CG-CG 4.32Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 VanDerWaalsContact O-CG 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.25Å; L68-L72 PolarHBondContact O-N 2.81Å; L68-V179 HydrophobicContact CB-CG1 3.85Å; L68-V179 HydrophobicContact CD1-CG1 4.09Å; L68-V179 HydrophobicContact CD1-CG2 4.47Å; L68-V179 HydrophobicContact CG-CG1 4.47Å; L68-L195 HydrophobicContact CD2-CD1 3.91Å
69	R	95.9	Very high	96.5	Very high	102 Å²	102	36.1 Å²	36.1	39%	0.385	17%	0.166	S	C	.	.	H	α-helix	trans	-60.3	-46.6	173.9	-76.3	169.2	-169.3	149.7	2.5	111.1	F22 A65 E66 A71 L72 D73	F22-R69 HydrophobicContact CE1-CG 4.1Å; F22-R69 HydrophobicContact CZ-CG 3.82Å; A65-R69 WeakPolarHBondContact O-CB 3.36Å; A65-R69 VanDerWaalsContact O-CG 3.23Å; A65-R69 WeakPolarHBondContact O-CG 3.46Å; A65-R69 PolarHBondContact O-N 3.49Å; A65-R69 VanDerWaalsContact O-N 3.08Å; E66-R69 PolarHBondContact O-N 2.75Å; R69-A71 VanDerWaalsContact C-N 3.34Å; R69-A71 PolarHBondContact O-N 3.49Å; R69-L72 PolarHBondContact O-N 3.22Å; R69-D73 VanDerWaalsContact O-CB 3.28Å; R69-D73 WeakPolarHBondContact O-CB 3.34Å; R69-D73 PolarHBondContact O-N 3.03Å
70	R	95.6	Very high	96.3	Very high	126 Å²	126	36.3 Å²	36.3	48%	0.475	17%	0.166	S	C	.	.	H	α-helix	trans	-61	-42.4	177.3	-67.3	-171.3	-71.1	154.3	-13.5	112.1	E66 D67 K74 Y177	E66-R70 WeakPolarHBondContact O-CG 2.99Å; E66-R70 PolarHBondContact O-N 3.41Å; E66-R70 VanDerWaalsContact O-N 3.08Å; D67-R70 PolarHBondContact O-N 3.34Å; D67-R70 IonicContact OD1-CZ 2.63Å; D67-R70 IonicContact OD1-NE 3.02Å; D67-R70 IonicContact OD1-NH2 3.74Å; D67-R70 PolarHBondContact OD1-NH2 2.99Å; R70-K74 WeakPolarHBondContact O-CB 3.47Å; R70-K74 PolarHBondContact O-N 3.27Å; R70-Y177 HydrophobicContact CB-CD1 4.41Å
71	A	97.3	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-44.4	177.2	0	0	0	0	0	113.1	D67 L68 R69 T75 V163 V179	D67-A71 WeakPolarHBondContact O-CB 3.48Å; D67-A71 PolarHBondContact O-N 2.94Å; L68-A71 PolarHBondContact O-N 3.45Å; R69-A71 VanDerWaalsContact C-N 3.34Å; R69-A71 PolarHBondContact O-N 3.49Å; A71-T75 WeakPolarHBondContact O-CB 3.37Å; A71-T75 PolarHBondContact O-N 2.95Å; A71-T75 PolarHBondContact O-OG1 2.91Å; A71-V163 HydrophobicContact CB-CG1 3.64Å; A71-V163 HydrophobicContact CB-CG2 4.21Å; A71-V179 HydrophobicContact CB-CG2 3.55Å
72	L	97.1	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-43.4	177.6	-72.4	177.2	0	0	0	111.1	V18 L21 F22 L68 R69 T75 A76 L195 F196 V199	V18-L72 HydrophobicContact CG1-CB 3.48Å; V18-L72 VanDerWaalsContact CG1-CB 3.48Å; V18-L72 HydrophobicContact CG1-CD1 3.86Å; V18-L72 HydrophobicContact CG1-CG 4.34Å; L21-L72 HydrophobicContact CD1-CD1 4.33Å; F22-L72 HydrophobicContact CD1-CD1 4.22Å; F22-L72 HydrophobicContact CE1-CD1 3.8Å; L68-L72 HydrophobicContact CD1-CD1 4.18Å; L68-L72 HydrophobicContact CD1-CD2 4.42Å; L68-L72 HydrophobicContact CD1-CG 3.99Å; L68-L72 HydrophobicContact CG-CD1 4.07Å; L68-L72 HydrophobicContact CG-CG 4.32Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 VanDerWaalsContact O-CG 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.25Å; L68-L72 PolarHBondContact O-N 2.81Å; R69-L72 PolarHBondContact O-N 3.22Å; L72-T75 WeakPolarHBondContact O-CB 3.15Å; L72-T75 PolarHBondContact O-N 3.48Å; L72-T75 VanDerWaalsContact O-N 3.15Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 3.28Å; L72-L195 HydrophobicContact CD1-CB 4.31Å; L72-L195 HydrophobicContact CD2-CB 4.19Å; L72-F196 HydrophobicContact CD2-CD1 3.64Å; L72-F196 HydrophobicContact CD2-CE1 3.74Å; L72-F196 HydrophobicContact CD2-CG 4.13Å; L72-F196 HydrophobicContact CD2-CZ 4.29Å; L72-V199 HydrophobicContact CB-CG2 4.16Å; L72-V199 HydrophobicContact CD1-CG2 4.35Å; L72-V199 HydrophobicContact CD2-CG2 3.99Å; L72-V199 HydrophobicContact CG-CG2 4.39Å; L72-V199 WeakPolarHBondContact O-CG1 3.47Å
73	D	95.1	Very high	95.8	Very high	49 Å²	49	33 Å²	33	26%	0.262	17%	0.168	S	C	.	.	H	α-helix	trans	-60.2	-47.5	176.9	-171.1	54.3	0	0	0	111.4	V18 R69 T75 A76 H77	V18-D73 HydrophobicContact CG2-CB 4.45Å; R69-D73 VanDerWaalsContact O-CB 3.28Å; R69-D73 WeakPolarHBondContact O-CB 3.34Å; R69-D73 PolarHBondContact O-N 3.03Å; D73-T75 VanDerWaalsContact C-N 3.26Å; D73-T75 PolarHBondContact O-N 2.74Å; D73-A76 WeakPolarHBondContact O-CB 3.42Å; D73-A76 PolarHBondContact O-N 3.17Å; D73-A76 VanDerWaalsContact O-N 3.08Å; D73-H77 PolarHBondContact O-CD2 2.9Å; D73-H77 PolarHBondContact O-N 2.58Å; D73-H77 IonicContact OD1-CD2 3.57Å; D73-H77 IonicContact OD1-NE2 3.56Å; D73-H77 PolarHBondContact OD1-NE2 3.48Å; D73-H77 IonicContact OD2-CD2 3.6Å; D73-H77 IonicContact OD2-NE2 3.55Å
74	K	95.6	Very high	95.8	Very high	68 Å²	68	31 Å²	31	30%	0.296	16%	0.161	S	C	.	.	H	α-helix	trans	-57.4	-41.3	174.3	-178.1	59.6	-176.6	173.6	0	112.2	R70 H77 T78 L135 Y177	R70-K74 WeakPolarHBondContact O-CB 3.47Å; R70-K74 PolarHBondContact O-N 3.27Å; K74-H77 PolarHBondContact O-N 3.08Å; K74-T78 PolarHBondContact O-N 2.93Å; K74-T78 PolarHBondContact O-OG1 3.35Å; K74-L135 HydrophobicContact CG-CD1 4.49Å; K74-Y177 HydrophobicContact CB-CE1 4.45Å; K74-Y177 HydrophobicContact CB-CE2 4.24Å; K74-Y177 HydrophobicContact CD-CE2 4.21Å; K74-Y177 HydrophobicContact CG-CD2 4.18Å; K74-Y177 HydrophobicContact CG-CE2 3.68Å
75	T	97.1	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-40.7	177.5	-54.3	0	0	0	0	111.6	A71 L72 D73 T78 A79 I85 L135 F196 I200	A71-T75 WeakPolarHBondContact O-CB 3.37Å; A71-T75 PolarHBondContact O-N 2.95Å; A71-T75 PolarHBondContact O-OG1 2.91Å; L72-T75 WeakPolarHBondContact O-CB 3.15Å; L72-T75 PolarHBondContact O-N 3.48Å; L72-T75 VanDerWaalsContact O-N 3.15Å; D73-T75 VanDerWaalsContact C-N 3.26Å; D73-T75 PolarHBondContact O-N 2.74Å; T75-T78 PolarHBondContact O-N 3.46Å; T75-A79 WeakPolarHBondContact O-CB 3.29Å; T75-A79 PolarHBondContact O-N 3.14Å; T75-I85 HydrophobicContact CG2-CD1 3.9Å; T75-L135 HydrophobicContact CG2-CD2 4.07Å; T75-F196 HydrophobicContact CG2-CD1 4.09Å; T75-I200 HydrophobicContact CG2-CD1 4.11Å; T75-I200 HydrophobicContact CG2-CG1 3.88Å
76	A	95.9	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-46.5	176.6	0	0	0	0	0	111.4	F16 L72 D73 T78 A79 Y80 V199 A203	F16-A76 HydrophobicContact CB-CB 4.1Å; F16-A76 HydrophobicContact CD1-CB 4.33Å; F16-A76 HydrophobicContact CD2-CB 3.3Å; F16-A76 HydrophobicContact CE2-CB 3.69Å; F16-A76 HydrophobicContact CG-CB 3.65Å; F16-A76 HydrophobicContact CZ-CB 4.36Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 3.28Å; D73-A76 WeakPolarHBondContact O-CB 3.42Å; D73-A76 PolarHBondContact O-N 3.17Å; D73-A76 VanDerWaalsContact O-N 3.08Å; A76-T78 PolarHBondContact O-N 3.25Å; A76-A79 PolarHBondContact O-N 3.08Å; A76-Y80 WeakPolarHBondContact O-CB 3.3Å; A76-Y80 PolarHBondContact O-N 3.32Å; A76-V199 HydrophobicContact CB-CG1 3.44Å; A76-V199 VanDerWaalsContact CB-CG1 3.44Å; A76-A203 HydrophobicContact CB-CB 4.3Å; A76-A203 VanDerWaalsContact O-CB 3.26Å; A76-A203 WeakPolarHBondContact O-CB 3.24Å
77	H	94.4	Very high	96.1	Very high	38 Å²	38	26.8 Å²	26.8	18%	0.176	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-44	176.6	-78.5	-70.5	0	0	0	112.3	P9 F16 D73 K74 Y80 G81	P9-H77 PolarHBondContact O-CE1 2.67Å; P9-H77 VanDerWaalsContact O-CE1 3.32Å; F16-H77 AromaticContact CE2-CE1 3.66Å; F16-H77 AromaticContact CE2-CG 3.93Å; F16-H77 AromaticContact CE2-ND1 3.71Å; F16-H77 AromaticContact CE2-NE2 3.84Å; D73-H77 PolarHBondContact O-CD2 2.9Å; D73-H77 PolarHBondContact O-N 2.58Å; D73-H77 IonicContact OD1-CD2 3.57Å; D73-H77 IonicContact OD1-NE2 3.56Å; D73-H77 PolarHBondContact OD1-NE2 3.48Å; D73-H77 IonicContact OD2-CD2 3.6Å; D73-H77 IonicContact OD2-NE2 3.55Å; K74-H77 PolarHBondContact O-N 3.08Å; H77-Y80 PolarHBondContact O-N 3.21Å; H77-G81 PolarHBondContact O-N 3.09Å
78	T	95.6	Very high	96.1	Very high	16 Å²	16	26.3 Å²	26.3	10%	0.098	14%	0.139	C	C	.	.	H	α-helix	trans	-61.9	-44.6	175.6	-59.3	0	0	0	0	111.5	K74 T75 A76 Y80 G81 G82 G83 I85 D134 L135	K74-T78 PolarHBondContact O-N 2.93Å; K74-T78 PolarHBondContact O-OG1 3.35Å; T75-T78 PolarHBondContact O-N 3.46Å; A76-T78 PolarHBondContact O-N 3.25Å; T78-Y80 PolarHBondContact O-N 2.89Å; T78-G81 PolarHBondContact O-N 2.93Å; T78-G82 PolarHBondContact O-N 2.8Å; T78-G83 PolarHBondContact O-N 3.45Å; T78-I85 HydrophobicContact CG2-CG1 4.02Å; T78-D134 HydrophobicContact CG2-CB 4.22Å; T78-L135 HydrophobicContact CG2-CB 3.85Å
79	A	96.3	Very high	96	Very high	3 Å²	3	26.3 Å²	26.3	3%	0.025	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-40.3	177.8	0	0	0	0	0	112.3	T75 A76 G82 I85 I200 A203	T75-A79 WeakPolarHBondContact O-CB 3.29Å; T75-A79 PolarHBondContact O-N 3.14Å; A76-A79 PolarHBondContact O-N 3.08Å; A79-G82 PolarHBondContact O-N 2.79Å; A79-G82 VanDerWaalsContact O-N 3.1Å; A79-I85 HydrophobicContact CB-CD1 3.92Å; A79-I200 HydrophobicContact CB-CG1 4.44Å; A79-I200 HydrophobicContact CB-CG2 4.21Å; A79-A203 HydrophobicContact CB-CB 3.79Å
80	Y	94.4	Very high	96	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.02	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-41	175.1	-179.6	-89.1	0	0	0	111.5	M5 P9 F16 A76 H77 T78 G82 K206 R207 M210	M5-Y80 WeakPolarHBondContact CG-OH 3.4Å; M5-Y80 WeakPolarHBondContact O-CE1 3.37Å; M5-Y80 PolarHBondContact O-OH 2.73Å; P9-Y80 HydrophobicContact CG-CD1 3.68Å; P9-Y80 HydrophobicContact CG-CE1 3.37Å; P9-Y80 HydrophobicContact CG-CG 4.4Å; F16-Y80 HydrophobicContact CE1-CD2 4Å; F16-Y80 HydrophobicContact CE1-CG 4.24Å; F16-Y80 HydrophobicContact CZ-CD2 4.27Å; F16-Y80 HydrophobicContact CZ-CG 4.07Å; A76-Y80 WeakPolarHBondContact O-CB 3.3Å; A76-Y80 PolarHBondContact O-N 3.32Å; H77-Y80 PolarHBondContact O-N 3.21Å; T78-Y80 PolarHBondContact O-N 2.89Å; Y80-G82 PolarHBondContact O-N 3.37Å; Y80-K206 HydrophobicContact CE2-CG 4.44Å; Y80-R207 HydrophobicContact CD2-CB 3.75Å; Y80-R207 HydrophobicContact CD2-CG 4.4Å; Y80-R207 HydrophobicContact CE2-CB 3.9Å; Y80-R207 HydrophobicContact CE2-CG 4.36Å; Y80-R207 VanDerWaalsContact O-CD 3.25Å; Y80-R207 WeakPolarHBondContact O-CD 3.46Å; Y80-R207 PolarHBondContact O-NH1 2.87Å; Y80-M210 HydrophobicContact CE2-CE 3.91Å; Y80-M210 HydrophobicContact CE2-SD 4.49Å; Y80-M210 VanDerWaalsContact OH-CE 3.32Å; Y80-M210 WeakPolarHBondContact OH-CE 3.32Å; Y80-M210 PolarHBondContact OH-SD 3.04Å
81	G	91.6	Very high	95.9	Very high	39 Å²	39	19.2 Å²	19.2	40%	0.402	11%	0.112	S	C	.	.	H	α-helix	trans	-64.9	-13.7	173	0	0	0	0	0	114	H77 T78 G83 R207	H77-G81 PolarHBondContact O-N 3.09Å; T78-G81 PolarHBondContact O-N 2.93Å; G81-G83 VanDerWaalsContact C-N 3.28Å; G81-R207 PolarHBondContact O-NH1 3.42Å
82	G	93.4	Very high	95.7	Very high	34 Å²	34	29.1 Å²	29.1	35%	0.351	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	29.8	-174.7	0	0	0	0	0	111.3	T78 A79 Y80 R131	T78-G82 PolarHBondContact O-N 2.8Å; A79-G82 PolarHBondContact O-N 2.79Å; A79-G82 VanDerWaalsContact O-N 3.1Å; Y80-G82 PolarHBondContact O-N 3.37Å; G82-R131 PolarHBondContact O-NH2 3.4Å
83	G	95.6	Very high	95.6	Very high	11 Å²	11	36.4 Å²	36.4	11%	0.113	18%	0.183	C	C	.	.			trans	-74.5	152.3	170.9	0	0	0	0	0	111.2	T78 G81 D134	T78-G83 PolarHBondContact O-N 3.45Å; G81-G83 VanDerWaalsContact C-N 3.28Å; G83-D134 WeakPolarHBondContact CA-OD2 3.05Å
84	I	97.6	Very high	95.6	Very high	36 Å²	36	34.7 Å²	34.7	19%	0.185	17%	0.174	C	C	.	.			trans	-81.1	122.8	178.6	-65.1	175.7	0	0	0	109	Y108 R131 P133 D134 L135	I84-Y108 HydrophobicContact CG2-CD2 3.63Å; I84-Y108 HydrophobicContact CG2-CE2 3.77Å; I84-R131 HydrophobicContact CD1-CB 4.24Å; I84-R131 HydrophobicContact CD1-CG 3.88Å; I84-P133 HydrophobicContact CG2-CB 4.08Å; I84-D134 PolarHBondContact N-OD2 2.94Å; I84-D134 PolarHBondContact O-N 3.47Å; I84-L135 PolarHBondContact O-N 2.9Å
85	I	98.3	Very high	95.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.2	175.5	-57.5	165.7	0	0	0	109.3	T75 T78 A79 F87 E107 Y108 L135 V137 I200	T75-I85 HydrophobicContact CG2-CD1 3.9Å; T78-I85 HydrophobicContact CG2-CG1 4.02Å; A79-I85 HydrophobicContact CB-CD1 3.92Å; I85-F87 HydrophobicContact CG2-CE2 4.31Å; I85-F87 HydrophobicContact CG2-CZ 4.41Å; I85-E107 HydrophobicContact CB-CG 4.19Å; I85-E107 WeakPolarHBondContact CB-OE2 3.38Å; I85-E107 PolarHBondContact N-OE2 3.29Å; I85-E107 VanDerWaalsContact N-OE2 3.09Å; I85-Y108 PolarHBondContact O-N 2.98Å; I85-L135 WeakPolarHBondContact CA-O 3.31Å; I85-L135 HydrophobicContact CG1-CB 4.4Å; I85-L135 HydrophobicContact CG1-CD2 4.4Å; I85-V137 HydrophobicContact CG2-CG2 3.93Å; I85-I200 HydrophobicContact CD1-CD1 4.1Å; I85-I200 HydrophobicContact CD1-CG1 4.04Å
86	L	98.3	Very high	95.6	Very high	22 Å²	22	38.3 Å²	38.3	12%	0.115	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.5	176	-178.3	67.9	0	0	0	111	I88 H110 F119 P133 L135 V136 V137	L86-I88 HydrophobicContact CD2-CD1 4.05Å; L86-I88 HydrophobicContact CD2-CG1 4.14Å; L86-I88 HydrophobicContact CG-CG1 4.1Å; L86-H110 HydrophobicContact CD1-CB 4.23Å; L86-F119 HydrophobicContact CD2-CE1 4Å; L86-F119 HydrophobicContact CD2-CZ 3.81Å; L86-P133 HydrophobicContact CB-CB 3.88Å; L86-P133 HydrophobicContact CB-CG 4.25Å; L86-P133 HydrophobicContact CD2-CG 4.21Å; L86-L135 PolarHBondContact N-O 3.37Å; L86-V136 HydrophobicContact CB-CG2 4.47Å; L86-V136 WeakPolarHBondContact O-CA 3.25Å; L86-V137 PolarHBondContact O-N 2.99Å
87	F	98.2	Very high	95.7	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.5	170.8	-67.3	-80.2	0	0	0	111.1	I85 V98 A102 E107 Y108 A109 H110 V137 F196 I200	I85-F87 HydrophobicContact CG2-CE2 4.31Å; I85-F87 HydrophobicContact CG2-CZ 4.41Å; F87-V98 HydrophobicContact CB-CG1 3.83Å; F87-A102 HydrophobicContact CD2-CB 3.91Å; F87-A102 HydrophobicContact CE2-CB 4.5Å; F87-E107 HydrophobicContact CD2-CB 4.45Å; F87-E107 HydrophobicContact CE2-CB 4.06Å; F87-Y108 WeakPolarHBondContact CD2-O 3.18Å; F87-Y108 PolarHBondContact N-O 3.39Å; F87-A109 HydrophobicContact CB-CB 4.16Å; F87-A109 CarbonylContact O-C 3.55Å; F87-A109 VanDerWaalsContact O-CA 3.28Å; F87-A109 WeakPolarHBondContact O-CA 3.5Å; F87-H110 PolarHBondContact O-N 3.26Å; F87-V137 CarbonylContact C-O 3.55Å; F87-V137 WeakPolarHBondContact CA-O 3.31Å; F87-V137 HydrophobicContact CD1-CB 3.77Å; F87-V137 HydrophobicContact CD1-CG1 3.9Å; F87-V137 HydrophobicContact CE1-CB 3.95Å; F87-V137 HydrophobicContact CE1-CG1 3.91Å; F87-V137 HydrophobicContact CE1-CG2 4.28Å; F87-F196 HydrophobicContact CE1-CB 4Å; F87-F196 HydrophobicContact CE1-CD2 4.48Å; F87-F196 HydrophobicContact CE1-CG 4.15Å; F87-F196 HydrophobicContact CZ-CB 4.12Å; F87-I200 HydrophobicContact CE2-CD1 4.07Å; F87-I200 HydrophobicContact CZ-CD1 3.61Å
88	I	97.4	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.9	176.1	-58.4	-175.6	0	0	0	109.9	L86 H110 W114 V136 V137 F138 L139 A151	L86-I88 HydrophobicContact CD2-CD1 4.05Å; L86-I88 HydrophobicContact CD2-CG1 4.14Å; L86-I88 HydrophobicContact CG-CG1 4.1Å; I88-H110 WeakPolarHBondContact CA-O 3.41Å; I88-H110 HydrophobicContact CG1-CB 4.46Å; I88-W114 HydrophobicContact CD1-CE3 4.37Å; I88-W114 HydrophobicContact CD1-CH2 4.11Å; I88-W114 HydrophobicContact CD1-CZ3 3.67Å; I88-V136 HydrophobicContact CD1-CG1 3.47Å; I88-V136 VanDerWaalsContact CD1-CG1 3.47Å; I88-V136 HydrophobicContact CG1-CG1 3.83Å; I88-V137 PolarHBondContact N-O 3.1Å; I88-F138 HydrophobicContact CB-CD1 3.8Å; I88-F138 HydrophobicContact CB-CE1 3.8Å; I88-F138 HydrophobicContact CD1-CE1 3.86Å; I88-F138 HydrophobicContact CD1-CZ 3.96Å; I88-F138 HydrophobicContact CG1-CE1 4.37Å; I88-F138 HydrophobicContact CG2-CD1 3.87Å; I88-F138 HydrophobicContact CG2-CE1 3.71Å; I88-F138 WeakPolarHBondContact O-CA 3.13Å; I88-L139 PolarHBondContact O-N 3.24Å; I88-A151 HydrophobicContact CD1-CB 3.72Å
89	S	95.7	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.			trans	-155.2	131.5	169.1	-180	0	0	0	0	110.5	R91 H110 T111	S89-R91 PolarHBondContact OG-N 2.94Å; S89-H110 PolarHBondContact N-O 3.46Å; S89-T111 WeakPolarHBondContact O-CA 3.23Å
90	R	94.8	Very high	96	Very high	36 Å²	36	42.1 Å²	42.1	14%	0.136	21%	0.212	C	C	.	.			trans	-94.9	-6.3	174.5	-69.2	-63.3	-63.5	129.6	1.1	113.6	R92 T111 R112 N144 H149	R90-R92 PolarHBondContact O-N 2.96Å; R90-R92 VanDerWaalsContact O-N 3.07Å; R90-T111 PolarHBondContact NH1-O 3.07Å; R90-R112 VanDerWaalsContact CD-O 3.29Å; R90-R112 WeakPolarHBondContact CD-O 3.5Å; R90-R112 PolarHBondContact NH1-O 3.21Å; R90-N144 PolarHBondContact O-OD1 2.8Å; R90-H149 WeakPolarHBondContact CG-CD2 3.46Å; R90-H149 VanDerWaalsContact CG-NE2 3.34Å; R90-H149 WeakPolarHBondContact CG-NE2 3.49Å
91	R	93.9	Very high	96.1	Very high	44 Å²	44	42.3 Å²	42.3	17%	0.166	21%	0.214	C	C	.	.			trans	-66.6	107.5	177.4	-62.2	-64.8	-169.5	142	11.3	109.6	S89 Q93 F94 C95 S140 D183 D184	S89-R91 PolarHBondContact OG-N 2.94Å; R91-Q93 PolarHBondContact O-N 3.38Å; R91-F94 HydrophobicContact CB-CD2 3.95Å; R91-F94 PolarHBondContact O-N 2.65Å; R91-C95 PolarHBondContact O-N 2.73Å; R91-S140 PolarHBondContact NE-OG 3.09Å; R91-D183 IonicContact CZ-OD1 2.9Å; R91-D183 IonicContact NE-OD2 2.65Å; R91-D183 IonicContact NH2-OD1 2.65Å; R91-D183 PolarHBondContact NH2-OD1 2.89Å; R91-D183 IonicContact NH2-OD2 3.37Å; R91-D183 PolarHBondContact NH2-OD2 3.2Å; R91-D184 IonicContact CZ-OD1 3.02Å; R91-D184 IonicContact NH1-OD1 2.72Å; R91-D184 PolarHBondContact NH1-OD1 3.27Å; R91-D184 IonicContact NH2-OD1 2.8Å; R91-D184 PolarHBondContact NH2-OD1 3.35Å
92	R	93.5	Very high	96.4	Very high	208 Å²	208	40.6 Å²	40.6	79%	0.785	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-60.4	-30.1	-177.4	-64.7	179.8	71.5	174.8	1.5	112.8	R90 F94 C95	R90-R92 PolarHBondContact O-N 2.96Å; R90-R92 VanDerWaalsContact O-N 3.07Å; R92-F94 VanDerWaalsContact C-N 3.34Å; R92-F94 PolarHBondContact O-N 2.98Å; R92-C95 VanDerWaalsContact O-CB 3.27Å; R92-C95 WeakPolarHBondContact O-CB 3.43Å; R92-C95 PolarHBondContact O-N 3.29Å
93	Q	94.6	Very high	96.6	Very high	152 Å²	152	46 Å²	46	71%	0.71	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-59.4	-42.7	179.1	-63.8	177.3	4.6	0	0	112.2	R91	R91-Q93 PolarHBondContact O-N 3.38Å
94	F	95.4	Very high	96.7	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.057	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-99.3	5.5	-174.3	-52.1	-57.8	0	0	0	113.5	R91 R92 H96 L97 V98 D184 P186 M189	R91-F94 HydrophobicContact CB-CD2 3.95Å; R91-F94 PolarHBondContact O-N 2.65Å; R92-F94 VanDerWaalsContact C-N 3.34Å; R92-F94 PolarHBondContact O-N 2.98Å; F94-H96 VanDerWaalsContact C-N 3.33Å; F94-H96 PolarHBondContact O-N 3.1Å; F94-L97 HydrophobicContact CD1-CD2 4.49Å; F94-L97 WeakPolarHBondContact O-CB 3.38Å; F94-L97 PolarHBondContact O-N 3.03Å; F94-L97 VanDerWaalsContact O-N 3.11Å; F94-V98 HydrophobicContact CB-CG2 4.47Å; F94-V98 WeakPolarHBondContact O-CG2 3.36Å; F94-V98 PolarHBondContact O-N 3.13Å; F94-D184 VanDerWaalsContact CZ-O 3.31Å; F94-D184 WeakPolarHBondContact CZ-O 3.45Å; F94-P186 HydrophobicContact CE1-CB 3.84Å; F94-P186 HydrophobicContact CE1-CG 3.87Å; F94-P186 HydrophobicContact CZ-CB 4.37Å; F94-P186 HydrophobicContact CZ-CG 4.06Å; F94-M189 HydrophobicContact CB-CE 3.96Å; F94-M189 HydrophobicContact CD1-CB 4.01Å; F94-M189 HydrophobicContact CD1-CG 4.26Å; F94-M189 HydrophobicContact CD2-CB 4.26Å; F94-M189 HydrophobicContact CD2-CE 3.8Å; F94-M189 HydrophobicContact CD2-CG 3.65Å; F94-M189 HydrophobicContact CD2-SD 4.34Å; F94-M189 HydrophobicContact CE1-CB 4.2Å; F94-M189 HydrophobicContact CE1-CG 4.28Å; F94-M189 HydrophobicContact CE2-CB 4.41Å; F94-M189 HydrophobicContact CE2-CG 3.64Å; F94-M189 HydrophobicContact CG-CB 4.06Å; F94-M189 HydrophobicContact CG-CE 3.98Å; F94-M189 HydrophobicContact CG-CG 3.98Å; F94-M189 HydrophobicContact CZ-CB 4.38Å; F94-M189 HydrophobicContact CZ-CG 3.97Å
95	C	95.7	Very high	96.5	Very high	19 Å²	19	49.4 Å²	49.4	13%	0.128	22%	0.223	C	C	.	.	H	α-helix	trans	-52.6	-48.5	-175.2	-177.3	0	0	0	0	113.3	R91 R92 E99 T111 R112	R91-C95 PolarHBondContact O-N 2.73Å; R92-C95 VanDerWaalsContact O-CB 3.27Å; R92-C95 WeakPolarHBondContact O-CB 3.43Å; R92-C95 PolarHBondContact O-N 3.29Å; C95-E99 WeakPolarHBondContact O-CG 3.22Å; C95-E99 PolarHBondContact O-N 3.47Å; C95-E99 VanDerWaalsContact O-N 3.12Å; C95-E99 PolarHBondContact SG-OE1 2.89Å; C95-T111 PolarHBondContact SG-OG1 2.87Å; C95-R112 PolarHBondContact SG-NH1 3.27Å
96	H	97.1	Very high	96.5	Very high	126 Å²	126	51.9 Å²	51.9	58%	0.583	25%	0.248	S	C	*	.	H	α-helix	trans	-67.6	-39.9	-179.9	-173.6	60.4	0	0	0	112	F94 V98 E99 N100	F94-H96 VanDerWaalsContact C-N 3.33Å; F94-H96 PolarHBondContact O-N 3.1Å; H96-V98 PolarHBondContact O-N 3.44Å; H96-E99 PolarHBondContact O-N 3.36Å; H96-N100 PolarHBondContact CD2-ND2 3.07Å; H96-N100 VanDerWaalsContact CD2-ND2 3.29Å; H96-N100 PolarHBondContact CE1-ND2 3.24Å; H96-N100 PolarHBondContact NE2-ND2 2.91Å; H96-N100 WeakPolarHBondContact O-CB 3.42Å; H96-N100 PolarHBondContact O-N 2.92Å; H96-N100 PolarHBondContact O-ND2 3.16Å
97	L	97.4	Very high	96.4	Very high	50 Å²	50	51.7 Å²	51.7	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-47.6	177.5	177.1	67.2	0	0	0	111.2	F94 N100 T101 M189 E190 C193	F94-L97 HydrophobicContact CD1-CD2 4.49Å; F94-L97 WeakPolarHBondContact O-CB 3.38Å; F94-L97 PolarHBondContact O-N 3.03Å; F94-L97 VanDerWaalsContact O-N 3.11Å; L97-N100 PolarHBondContact O-N 3.2Å; L97-T101 WeakPolarHBondContact O-CB 3.5Å; L97-T101 PolarHBondContact O-N 3.1Å; L97-T101 PolarHBondContact O-OG1 3.11Å; L97-M189 HydrophobicContact CD2-CB 4.39Å; L97-E190 HydrophobicContact CD1-CG 4.41Å; L97-E190 HydrophobicContact CD2-CG 3.84Å; L97-C193 HydrophobicContact CG-CB 4.44Å
98	V	97.3	Very high	96.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-44.4	-178.8	179.4	0	0	0	0	111.4	F87 F94 H96 N100 T101 A102 A109 T111 L139	F87-V98 HydrophobicContact CB-CG1 3.83Å; F94-V98 HydrophobicContact CB-CG2 4.47Å; F94-V98 WeakPolarHBondContact O-CG2 3.36Å; F94-V98 PolarHBondContact O-N 3.13Å; H96-V98 PolarHBondContact O-N 3.44Å; V98-N100 PolarHBondContact O-N 3.02Å; V98-T101 PolarHBondContact O-N 3.13Å; V98-A102 WeakPolarHBondContact O-CB 3.48Å; V98-A102 PolarHBondContact O-N 3.38Å; V98-A109 HydrophobicContact CG1-CB 4.25Å; V98-T111 HydrophobicContact CB-CG2 3.96Å; V98-T111 HydrophobicContact CG1-CG2 3.9Å; V98-L139 HydrophobicContact CB-CD1 4.22Å; V98-L139 HydrophobicContact CG1-CD1 3.91Å; V98-L139 HydrophobicContact CG2-CD1 3.32Å
99	E	97.5	Very high	96.4	Very high	37 Å²	37	60 Å²	60	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-44.3	176.4	-76.2	171.6	-152.2	0	0	112.4	C95 H96 T101 A102 K103 T111 R112	C95-E99 WeakPolarHBondContact O-CG 3.22Å; C95-E99 PolarHBondContact O-N 3.47Å; C95-E99 VanDerWaalsContact O-N 3.12Å; C95-E99 PolarHBondContact SG-OE1 2.89Å; H96-E99 PolarHBondContact O-N 3.36Å; E99-T101 VanDerWaalsContact C-N 3.35Å; E99-A102 PolarHBondContact O-N 2.84Å; E99-K103 WeakPolarHBondContact O-CB 3.49Å; E99-K103 VanDerWaalsContact O-CG 3.27Å; E99-K103 WeakPolarHBondContact O-CG 3.4Å; E99-K103 PolarHBondContact O-N 3.33Å; E99-T111 HydrophobicContact CG-CG2 4.29Å; E99-T111 PolarHBondContact OE1-OG1 3.14Å; E99-R112 IonicContact OE1-CZ 3.29Å; E99-R112 IonicContact OE1-NH1 2.83Å; E99-R112 PolarHBondContact OE1-NH1 2.98Å; E99-R112 IonicContact OE1-NH2 3.2Å; E99-R112 PolarHBondContact OE1-NH2 3.03Å; E99-R112 IonicContact OE2-NH2 3.75Å
100	N	98	Very high	96.5	Very high	48 Å²	48	62 Å²	62	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-66.3	-39.9	177.6	-71.5	-13.6	0	0	0	111.5	H96 L97 V98 K103 Q104	H96-N100 PolarHBondContact CD2-ND2 3.07Å; H96-N100 VanDerWaalsContact CD2-ND2 3.29Å; H96-N100 PolarHBondContact CE1-ND2 3.24Å; H96-N100 PolarHBondContact NE2-ND2 2.91Å; H96-N100 WeakPolarHBondContact O-CB 3.42Å; H96-N100 PolarHBondContact O-N 2.92Å; H96-N100 PolarHBondContact O-ND2 3.16Å; L97-N100 PolarHBondContact O-N 3.2Å; V98-N100 PolarHBondContact O-N 3.02Å; N100-K103 PolarHBondContact O-N 3.29Å; N100-Q104 WeakPolarHBondContact O-CB 3.27Å; N100-Q104 WeakPolarHBondContact O-CG 3.35Å; N100-Q104 PolarHBondContact O-N 3.08Å
101	T	97.6	Very high	96.6	Very high	10 Å²	10	60.7 Å²	60.7	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-47.9	177	-59.5	0	0	0	0	110.5	L97 V98 E99 K103 Q104 C105 C193 K197	L97-T101 WeakPolarHBondContact O-CB 3.5Å; L97-T101 PolarHBondContact O-N 3.1Å; L97-T101 PolarHBondContact O-OG1 3.11Å; V98-T101 PolarHBondContact O-N 3.13Å; E99-T101 VanDerWaalsContact C-N 3.35Å; T101-K103 PolarHBondContact O-N 3.06Å; T101-Q104 PolarHBondContact O-N 3.39Å; T101-C105 PolarHBondContact O-N 2.83Å; T101-C105 PolarHBondContact O-SG 3.1Å; T101-C193 HydrophobicContact CG2-CB 3.95Å; T101-C193 WeakPolarHBondContact CG2-O 3.25Å; T101-K197 HydrophobicContact CG2-CB 4.01Å
102	A	97.3	Very high	96.6	Very high	2 Å²	2	65 Å²	65	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-46.7	177.2	0	0	0	0	0	112	F87 V98 E99 Q104 C105 G106 E107 A109	F87-A102 HydrophobicContact CD2-CB 3.91Å; F87-A102 HydrophobicContact CE2-CB 4.5Å; V98-A102 WeakPolarHBondContact O-CB 3.48Å; V98-A102 PolarHBondContact O-N 3.38Å; E99-A102 PolarHBondContact O-N 2.84Å; A102-Q104 VanDerWaalsContact C-N 3.33Å; A102-Q104 PolarHBondContact O-N 3.43Å; A102-C105 PolarHBondContact O-N 3.01Å; A102-C105 VanDerWaalsContact O-N 3.13Å; A102-G106 PolarHBondContact O-N 2.77Å; A102-E107 CarbonylContact C-O 3.59Å; A102-E107 PolarHBondContact O-N 3.16Å; A102-A109 HydrophobicContact CB-CB 3.58Å
103	K	97.4	Very high	96.7	Very high	148 Å²	148	62.9 Å²	62.9	64%	0.643	30%	0.301	S	S	*	.	H	α-helix	trans	-56.9	-44.1	174.9	-73.8	172.2	-176.2	174.5	0	112.4	E99 N100 T101 C105 G106	E99-K103 WeakPolarHBondContact O-CB 3.49Å; E99-K103 VanDerWaalsContact O-CG 3.27Å; E99-K103 WeakPolarHBondContact O-CG 3.4Å; E99-K103 PolarHBondContact O-N 3.33Å; N100-K103 PolarHBondContact O-N 3.29Å; T101-K103 PolarHBondContact O-N 3.06Å; K103-C105 VanDerWaalsContact C-N 3.31Å; K103-C105 PolarHBondContact O-N 2.8Å; K103-G106 PolarHBondContact O-N 2.89Å
104	Q	97.2	Very high	96.7	Very high	114 Å²	114	56.6 Å²	56.6	53%	0.533	27%	0.271	S	S	.	.	H	α-helix	trans	-67.3	-30.2	179	-73.5	173.2	10.9	0	0	113.1	N100 T101 A102 G106	N100-Q104 WeakPolarHBondContact O-CB 3.27Å; N100-Q104 WeakPolarHBondContact O-CG 3.35Å; N100-Q104 PolarHBondContact O-N 3.08Å; T101-Q104 PolarHBondContact O-N 3.39Å; A102-Q104 VanDerWaalsContact C-N 3.33Å; A102-Q104 PolarHBondContact O-N 3.43Å; Q104-G106 VanDerWaalsContact C-N 3.34Å
105	C	95.1	Very high	96.6	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.034	30%	0.295	C	S	.	.	H	α-helix	trans	-81.8	-15.2	175.5	-59.2	0	0	0	0	112.8	T101 A102 K103 E107 K197 I200 K204	T101-C105 PolarHBondContact O-N 2.83Å; T101-C105 PolarHBondContact O-SG 3.1Å; A102-C105 PolarHBondContact O-N 3.01Å; A102-C105 VanDerWaalsContact O-N 3.13Å; K103-C105 VanDerWaalsContact C-N 3.31Å; K103-C105 PolarHBondContact O-N 2.8Å; C105-E107 HydrophobicContact CB-CB 4.29Å; C105-E107 HydrophobicContact CB-CG 3.94Å; C105-K197 WeakPolarHBondContact SG-CA 3.39Å; C105-K197 VanDerWaalsContact SG-CB 3.58Å; C105-I200 HydrophobicContact CB-CG2 4.07Å; C105-K204 PolarHBondContact O-NZ 2.65Å
106	G	96.4	Very high	96.4	Very high	52 Å²	52	63.6 Å²	63.6	54%	0.536	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	39	-165.9	0	0	0	0	0	112.1	A102 K103 Q104 K204	A102-G106 PolarHBondContact O-N 2.77Å; K103-G106 PolarHBondContact O-N 2.89Å; Q104-G106 VanDerWaalsContact C-N 3.34Å; G106-K204 PolarHBondContact O-NZ 3.29Å; G106-K204 VanDerWaalsContact O-NZ 3.17Å
107	E	97.3	Very high	96.1	Very high	18 Å²	18	58.1 Å²	58.1	8%	0.084	30%	0.296	C	S	.	.			trans	-120.4	176.4	174.5	-64	-58.5	154.9	0	0	110	I85 F87 A102 C105 I200 K204	I85-E107 HydrophobicContact CB-CG 4.19Å; I85-E107 WeakPolarHBondContact CB-OE2 3.38Å; I85-E107 PolarHBondContact N-OE2 3.29Å; I85-E107 VanDerWaalsContact N-OE2 3.09Å; F87-E107 HydrophobicContact CD2-CB 4.45Å; F87-E107 HydrophobicContact CE2-CB 4.06Å; A102-E107 CarbonylContact C-O 3.59Å; A102-E107 PolarHBondContact O-N 3.16Å; C105-E107 HydrophobicContact CB-CB 4.29Å; C105-E107 HydrophobicContact CB-CG 3.94Å; E107-I200 HydrophobicContact CG-CD1 4.28Å; E107-I200 HydrophobicContact CG-CG2 4.08Å; E107-K204 WeakPolarHBondContact OE1-CE 3.39Å; E107-K204 IonicContact OE1-NZ 3.73Å; E107-K204 PolarHBondContact OE1-NZ 2.88Å
108	Y	97.9	Very high	96	Very high	142 Å²	142	56.3 Å²	56.3	56%	0.557	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	152.4	-175.3	-53.8	-84.5	0	0	0	111.7	I84 I85 F87	I84-Y108 HydrophobicContact CG2-CD2 3.63Å; I84-Y108 HydrophobicContact CG2-CE2 3.77Å; I85-Y108 PolarHBondContact O-N 2.98Å; F87-Y108 WeakPolarHBondContact CD2-O 3.18Å; F87-Y108 PolarHBondContact N-O 3.39Å
109	A	97.9	Very high	95.9	Very high	35 Å²	35	56.7 Å²	56.7	29%	0.289	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.4	172.7	0	0	0	0	0	111.3	F87 V98 A102	F87-A109 HydrophobicContact CB-CB 4.16Å; F87-A109 CarbonylContact O-C 3.55Å; F87-A109 VanDerWaalsContact O-CA 3.28Å; F87-A109 WeakPolarHBondContact O-CA 3.5Å; V98-A109 HydrophobicContact CG1-CB 4.25Å; A102-A109 HydrophobicContact CB-CB 3.58Å
110	H	97.2	Very high	95.7	Very high	42 Å²	42	57.9 Å²	57.9	19%	0.194	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	100.8	169	-171.6	88.5	0	0	0	110.3	L86 F87 I88 S89 R112 Y113 W114	L86-H110 HydrophobicContact CD1-CB 4.23Å; F87-H110 PolarHBondContact O-N 3.26Å; I88-H110 WeakPolarHBondContact CA-O 3.41Å; I88-H110 HydrophobicContact CG1-CB 4.46Å; S89-H110 PolarHBondContact N-O 3.46Å; H110-R112 PolarHBondContact NE2-O 3.27Å; H110-R112 VanDerWaalsContact NE2-O 3.13Å; H110-Y113 PolarHBondContact CE1-O 2.92Å; H110-Y113 PolarHBondContact NE2-O 3.47Å; H110-W114 HydrophobicContact CB-CZ3 4.49Å; H110-W114 AromaticContact CD2-CE3 3.49Å; H110-W114 VanDerWaalsContact CD2-CE3 3.49Å; H110-W114 AromaticContact CD2-CZ3 3.96Å; H110-W114 AromaticContact NE2-CE3 3.76Å
111	T	96.3	Very high	95.6	Very high	8 Å²	8	58.1 Å²	58.1	5%	0.049	30%	0.299	C	S	.	.			trans	-110.6	-10.3	-179.7	55.1	0	0	0	0	113.2	S89 R90 C95 V98 E99	S89-T111 WeakPolarHBondContact O-CA 3.23Å; R90-T111 PolarHBondContact NH1-O 3.07Å; C95-T111 PolarHBondContact SG-OG1 2.87Å; V98-T111 HydrophobicContact CB-CG2 3.96Å; V98-T111 HydrophobicContact CG1-CG2 3.9Å; E99-T111 HydrophobicContact CG-CG2 4.29Å; E99-T111 PolarHBondContact OE1-OG1 3.14Å
112	R	95.3	Very high	95.4	Very high	134 Å²	134	58 Å²	58	51%	0.506	30%	0.299	S	S	.	.	S	Bend	trans	-81.3	-178.3	178.9	-65.2	-65.2	172.8	-68.6	-4.4	111.4	R90 C95 E99 H110 W114	R90-R112 VanDerWaalsContact CD-O 3.29Å; R90-R112 WeakPolarHBondContact CD-O 3.5Å; R90-R112 PolarHBondContact NH1-O 3.21Å; C95-R112 PolarHBondContact SG-NH1 3.27Å; E99-R112 IonicContact OE1-CZ 3.29Å; E99-R112 IonicContact OE1-NH1 2.83Å; E99-R112 PolarHBondContact OE1-NH1 2.98Å; E99-R112 IonicContact OE1-NH2 3.2Å; E99-R112 PolarHBondContact OE1-NH2 3.03Å; E99-R112 IonicContact OE2-NH2 3.75Å; H110-R112 PolarHBondContact NE2-O 3.27Å; H110-R112 VanDerWaalsContact NE2-O 3.13Å; R112-W114 PolarHBondContact O-N 2.91Å
113	Y	94.9	Very high	95.2	Very high	165 Å²	165	63.2 Å²	63.2	65%	0.647	32%	0.323	S	S	*	.			trans	-53.1	131.1	177.3	177.3	-103.3	0	0	0	110.5	H110 Q115	H110-Y113 PolarHBondContact CE1-O 2.92Å; H110-Y113 PolarHBondContact NE2-O 3.47Å; Y113-Q115 HydrophobicContact CD1-CG 3.91Å; Y113-Q115 HydrophobicContact CE1-CG 4.01Å; Y113-Q115 PolarHBondContact O-N 3.46Å
114	W	94.8	Very high	95.1	Very high	19 Å²	19	61.7 Å²	61.7	7%	0.072	32%	0.321	C	S	.	.			trans	-83.2	105.6	176.9	-173.6	-94.2	0	0	0	108.7	I88 H110 R112 L118 F119 H149 A151	I88-W114 HydrophobicContact CD1-CE3 4.37Å; I88-W114 HydrophobicContact CD1-CH2 4.11Å; I88-W114 HydrophobicContact CD1-CZ3 3.67Å; H110-W114 HydrophobicContact CB-CZ3 4.49Å; H110-W114 AromaticContact CD2-CE3 3.49Å; H110-W114 VanDerWaalsContact CD2-CE3 3.49Å; H110-W114 AromaticContact CD2-CZ3 3.96Å; H110-W114 AromaticContact NE2-CE3 3.76Å; R112-W114 PolarHBondContact O-N 2.91Å; W114-L118 HydrophobicContact CD2-CD1 3.7Å; W114-L118 HydrophobicContact CE3-CD1 3.73Å; W114-L118 HydrophobicContact CG-CD1 4.24Å; W114-L118 HydrophobicContact CH2-CB 4.07Å; W114-L118 HydrophobicContact CH2-CD1 4.15Å; W114-L118 HydrophobicContact CZ2-CB 3.85Å; W114-L118 HydrophobicContact CZ2-CD1 4.15Å; W114-L118 HydrophobicContact CZ3-CD1 3.95Å; W114-F119 HydrophobicContact CH2-CD1 4.03Å; W114-F119 HydrophobicContact CH2-CD2 4.08Å; W114-F119 AromaticContact CH2-CE1 3.69Å; W114-F119 HydrophobicContact CH2-CE1 3.69Å; W114-F119 AromaticContact CH2-CE2 3.74Å; W114-F119 HydrophobicContact CH2-CE2 3.74Å; W114-F119 HydrophobicContact CH2-CG 4.23Å; W114-F119 AromaticContact CH2-CZ 3.55Å; W114-F119 HydrophobicContact CH2-CZ 3.55Å; W114-F119 HydrophobicContact CZ2-CD1 4.32Å; W114-F119 AromaticContact CZ2-CD2 3.97Å; W114-F119 HydrophobicContact CZ2-CD2 3.97Å; W114-F119 HydrophobicContact CZ2-CE1 4.4Å; W114-F119 HydrophobicContact CZ2-CE2 4.04Å; W114-F119 HydrophobicContact CZ2-CG 4.13Å; W114-F119 HydrophobicContact CZ2-CZ 4.28Å; W114-H149 AromaticContact CD2-CE1 3.62Å; W114-H149 AromaticContact CE3-CE1 3.74Å; W114-H149 AromaticContact CG-CE1 3.58Å; W114-A151 HydrophobicContact CD2-CB 3.93Å; W114-A151 HydrophobicContact CE3-CB 4.06Å; W114-A151 HydrophobicContact CH2-CB 3.65Å; W114-A151 HydrophobicContact CZ2-CB 3.45Å; W114-A151 VanDerWaalsContact CZ2-CB 3.45Å; W114-A151 HydrophobicContact CZ3-CB 3.94Å
115	Q	92.9	Very high	94.8	Very high	120 Å²	120	59.7 Å²	59.7	56%	0.561	31%	0.311	S	S	*	.			trans	-70.1	138.8	170.5	-69	-173.2	-38.1	0	0	109.2	Y113 G117 L118	Y113-Q115 HydrophobicContact CD1-CG 3.91Å; Y113-Q115 HydrophobicContact CE1-CG 4.01Å; Y113-Q115 PolarHBondContact O-N 3.46Å; Q115-G117 PolarHBondContact O-N 3.44Å; Q115-L118 HydrophobicContact CB-CD1 4.3Å; Q115-L118 HydrophobicContact CB-CD2 4.31Å; Q115-L118 HydrophobicContact CB-CG 4.23Å; Q115-L118 WeakPolarHBondContact O-CD1 3.41Å; Q115-L118 VanDerWaalsContact O-CG 3.25Å; Q115-L118 WeakPolarHBondContact O-CG 3.48Å
116	G	91.3	Very high	94.8	Very high	59 Å²	59	65.7 Å²	65.7	61%	0.608	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	137.5	176.4	0	0	0	0	0	110.5	Q125	G116-Q125 PolarHBondContact O-NE2 3.23Å
117	G	91.1	Very high	94.7	Very high	12 Å²	12	64.2 Å²	64.2	12%	0.124	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	9	173.9	0	0	0	0	0	116.3	Q115 F119 T120 N121 Q125	Q115-G117 PolarHBondContact O-N 3.44Å; G117-F119 PolarHBondContact O-N 3.47Å; G117-T120 WeakPolarHBondContact CA-OG1 3.39Å; G117-N121 CarbonylContact O-C 3.59Å; G117-N121 VanDerWaalsContact O-CA 3.26Å; G117-N121 WeakPolarHBondContact O-CA 3.46Å; G117-N121 VanDerWaalsContact O-CB 3.32Å; G117-N121 WeakPolarHBondContact O-CB 3.33Å; G117-N121 PolarHBondContact O-N 3.35Å; G117-Q125 VanDerWaalsContact C-NE2 3.3Å; G117-Q125 PolarHBondContact O-NE2 2.99Å
118	L	94.6	Very high	94.5	Very high	11 Å²	11	69.4 Å²	69.4	6%	0.058	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.6	176.4	-67.8	165.5	0	0	0	112.7	W114 Q115 A122 Q125 Y126	W114-L118 HydrophobicContact CD2-CD1 3.7Å; W114-L118 HydrophobicContact CE3-CD1 3.73Å; W114-L118 HydrophobicContact CG-CD1 4.24Å; W114-L118 HydrophobicContact CH2-CB 4.07Å; W114-L118 HydrophobicContact CH2-CD1 4.15Å; W114-L118 HydrophobicContact CZ2-CB 3.85Å; W114-L118 HydrophobicContact CZ2-CD1 4.15Å; W114-L118 HydrophobicContact CZ3-CD1 3.95Å; Q115-L118 HydrophobicContact CB-CD1 4.3Å; Q115-L118 HydrophobicContact CB-CD2 4.31Å; Q115-L118 HydrophobicContact CB-CG 4.23Å; Q115-L118 WeakPolarHBondContact O-CD1 3.41Å; Q115-L118 VanDerWaalsContact O-CG 3.25Å; Q115-L118 WeakPolarHBondContact O-CG 3.48Å; L118-A122 WeakPolarHBondContact O-CB 3.48Å; L118-Q125 VanDerWaalsContact CA-OE1 3.26Å; L118-Y126 HydrophobicContact CD2-CE2 4.47Å; L118-Y126 WeakPolarHBondContact CD2-OH 3.14Å; L118-Y126 WeakPolarHBondContact O-CE2 3.2Å
119	F	95.4	Very high	94.1	Very high	9 Å²	9	66.7 Å²	66.7	4%	0.039	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-50.1	174.4	-67.7	-18.9	0	0	0	112.8	L86 W114 G117 N121 L132 P133 V136 A151 D154 A155 M158	L86-F119 HydrophobicContact CD2-CE1 4Å; L86-F119 HydrophobicContact CD2-CZ 3.81Å; W114-F119 HydrophobicContact CH2-CD1 4.03Å; W114-F119 HydrophobicContact CH2-CD2 4.08Å; W114-F119 AromaticContact CH2-CE1 3.69Å; W114-F119 HydrophobicContact CH2-CE1 3.69Å; W114-F119 AromaticContact CH2-CE2 3.74Å; W114-F119 HydrophobicContact CH2-CE2 3.74Å; W114-F119 HydrophobicContact CH2-CG 4.23Å; W114-F119 AromaticContact CH2-CZ 3.55Å; W114-F119 HydrophobicContact CH2-CZ 3.55Å; W114-F119 HydrophobicContact CZ2-CD1 4.32Å; W114-F119 AromaticContact CZ2-CD2 3.97Å; W114-F119 HydrophobicContact CZ2-CD2 3.97Å; W114-F119 HydrophobicContact CZ2-CE1 4.4Å; W114-F119 HydrophobicContact CZ2-CE2 4.04Å; W114-F119 HydrophobicContact CZ2-CG 4.13Å; W114-F119 HydrophobicContact CZ2-CZ 4.28Å; G117-F119 PolarHBondContact O-N 3.47Å; F119-N121 VanDerWaalsContact C-N 3.33Å; F119-N121 PolarHBondContact O-N 3.19Å; F119-L132 HydrophobicContact CD1-CD2 4.16Å; F119-P133 HydrophobicContact CE1-CG 3.64Å; F119-P133 HydrophobicContact CZ-CG 3.77Å; F119-V136 HydrophobicContact CE2-CG2 4.1Å; F119-V136 HydrophobicContact CZ-CG2 3.87Å; F119-A151 HydrophobicContact CE2-CB 4.36Å; F119-D154 HydrophobicContact CB-CB 4.19Å; F119-D154 HydrophobicContact CD2-CB 4.03Å; F119-A155 HydrophobicContact CD2-CB 4.4Å; F119-A155 HydrophobicContact CE2-CB 4.16Å; F119-M158 HydrophobicContact CB-CG 4.03Å
120	T	94.6	Very high	94	Very high	62 Å²	62	68 Å²	68	38%	0.38	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.7	-173.3	59.7	0	0	0	0	113.1	G117 D154 K157 M158	G117-T120 WeakPolarHBondContact CA-OG1 3.39Å; T120-D154 HydrophobicContact CG2-CB 4.34Å; T120-K157 HydrophobicContact CG2-CD 4.48Å; T120-M158 HydrophobicContact CG2-SD 4.42Å
121	N	94.6	Very high	93.9	Very high	53 Å²	53	73.2 Å²	73.2	28%	0.283	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	27.2	-179.3	-159	24.2	0	0	0	112.5	G117 F119 H123 I124 Q125	G117-N121 CarbonylContact O-C 3.59Å; G117-N121 VanDerWaalsContact O-CA 3.26Å; G117-N121 WeakPolarHBondContact O-CA 3.46Å; G117-N121 VanDerWaalsContact O-CB 3.32Å; G117-N121 WeakPolarHBondContact O-CB 3.33Å; G117-N121 PolarHBondContact O-N 3.35Å; F119-N121 VanDerWaalsContact C-N 3.33Å; F119-N121 PolarHBondContact O-N 3.19Å; N121-H123 VanDerWaalsContact C-N 3.26Å; N121-H123 PolarHBondContact O-N 2.71Å; N121-H123 PolarHBondContact OD1-CE1 3.5Å; N121-H123 VanDerWaalsContact OD1-CE1 3.27Å; N121-I124 PolarHBondContact O-N 2.88Å; N121-I124 VanDerWaalsContact O-N 3.11Å; N121-I124 WeakPolarHBondContact OD1-CB 3.37Å; N121-I124 WeakPolarHBondContact OD1-CD1 3.43Å; N121-Q125 WeakPolarHBondContact O-CG 3.01Å; N121-Q125 PolarHBondContact O-N 3.31Å
122	A	94.4	Very high	93.9	Very high	7 Å²	7	74.7 Å²	74.7	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-56.5	-38.5	-175.4	0	0	0	0	0	113.2	L118 I124 Q125 Y126 L132	L118-A122 WeakPolarHBondContact O-CB 3.48Å; A122-I124 VanDerWaalsContact C-N 3.27Å; A122-I124 PolarHBondContact O-N 3.21Å; A122-Q125 PolarHBondContact O-N 2.91Å; A122-Y126 HydrophobicContact CB-CD2 4.04Å; A122-Y126 HydrophobicContact CB-CE2 4.47Å; A122-Y126 WeakPolarHBondContact O-CB 3.35Å; A122-Y126 PolarHBondContact O-N 2.9Å; A122-L132 HydrophobicContact CB-CD2 3.69Å; A122-L132 HydrophobicContact CB-CG 4.46Å
123	H	93.4	Very high	94	Very high	112 Å²	112	69 Å²	69	52%	0.519	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-29.6	179.9	67.3	-75.8	0	0	0	113.7	N121 G127	N121-H123 VanDerWaalsContact C-N 3.26Å; N121-H123 PolarHBondContact O-N 2.71Å; N121-H123 PolarHBondContact OD1-CE1 3.5Å; N121-H123 VanDerWaalsContact OD1-CE1 3.27Å; H123-G127 WeakPolarHBondContact CA-O 3.49Å; H123-G127 CarbonylContact O-C 3.37Å; H123-G127 WeakPolarHBondContact O-CA 3.42Å; H123-G127 PolarHBondContact O-N 3.26Å
124	I	94.1	Very high	94.1	Very high	117 Å²	117	64 Å²	64	60%	0.6	36%	0.364	S	S	*	.	H	α-helix	trans	-87.6	-41.2	174.2	-73	164.1	0	0	0	110.8	N121 A122	N121-I124 PolarHBondContact O-N 2.88Å; N121-I124 VanDerWaalsContact O-N 3.11Å; N121-I124 WeakPolarHBondContact OD1-CB 3.37Å; N121-I124 WeakPolarHBondContact OD1-CD1 3.43Å; A122-I124 VanDerWaalsContact C-N 3.27Å; A122-I124 PolarHBondContact O-N 3.21Å
125	Q	92.2	Very high	94.3	Very high	72 Å²	72	63.1 Å²	63.1	34%	0.336	36%	0.361	S	S	.	.	H	α-helix	trans	-71.2	-37.6	-175	-68.6	-170.3	6.2	0	0	113.4	G116 G117 L118 N121 A122	G116-Q125 PolarHBondContact O-NE2 3.23Å; G117-Q125 VanDerWaalsContact C-NE2 3.3Å; G117-Q125 PolarHBondContact O-NE2 2.99Å; L118-Q125 VanDerWaalsContact CA-OE1 3.26Å; N121-Q125 WeakPolarHBondContact O-CG 3.01Å; N121-Q125 PolarHBondContact O-N 3.31Å; A122-Q125 PolarHBondContact O-N 2.91Å
126	Y	93.8	Very high	94.6	Very high	130 Å²	130	57.4 Å²	57.4	51%	0.51	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-12.4	-175	-57.1	-61.2	0	0	0	113.3	L118 A122 V130	L118-Y126 HydrophobicContact CD2-CE2 4.47Å; L118-Y126 WeakPolarHBondContact CD2-OH 3.14Å; L118-Y126 WeakPolarHBondContact O-CE2 3.2Å; A122-Y126 HydrophobicContact CB-CD2 4.04Å; A122-Y126 HydrophobicContact CB-CE2 4.47Å; A122-Y126 WeakPolarHBondContact O-CB 3.35Å; A122-Y126 PolarHBondContact O-N 2.9Å; Y126-V130 VanDerWaalsContact CB-CG2 3.48Å; Y126-V130 HydrophobicContact CD2-CG1 4.27Å
127	G	94.1	Very high	94.9	Very high	22 Å²	22	54.6 Å²	54.6	23%	0.227	31%	0.305	C	S	.	.			trans	103.1	167.5	-176.9	0	0	0	0	0	113.8	H123 V130	H123-G127 WeakPolarHBondContact CA-O 3.49Å; H123-G127 CarbonylContact O-C 3.37Å; H123-G127 WeakPolarHBondContact O-CA 3.42Å; H123-G127 PolarHBondContact O-N 3.26Å; G127-V130 VanDerWaalsContact O-CG2 3.22Å; G127-V130 WeakPolarHBondContact O-CG2 3Å
128	P	93.8	Very high	95.2	Very high	127 Å²	127	54 Å²	54	83%	0.825	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	145	178.9	28.8	-34.2	0	0	0	111.2
129	G	90.4	Very high	95.3	Very high	84 Å²	84	53.6 Å²	53.6	87%	0.866	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	8.9	176.4	0	0	0	0	0	115.7	R131	G129-R131 PolarHBondContact O-N 2.99Å
130	V	95.5	Very high	95.2	Very high	64 Å²	64	53.2 Å²	53.2	39%	0.388	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-70.9	125.8	177.8	172.4	0	0	0	0	110.6	Y126 G127	Y126-V130 VanDerWaalsContact CB-CG2 3.48Å; Y126-V130 HydrophobicContact CD2-CG1 4.27Å; G127-V130 VanDerWaalsContact O-CG2 3.22Å; G127-V130 WeakPolarHBondContact O-CG2 3Å
131	R	95.3	Very high	95.3	Very high	150 Å²	150	50.3 Å²	50.3	57%	0.566	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-81.6	119.6	173.4	-173.6	176.4	170.3	-169.5	-5	109.8	G82 I84 G129 D134	G82-R131 PolarHBondContact O-NH2 3.4Å; I84-R131 HydrophobicContact CD1-CB 4.24Å; I84-R131 HydrophobicContact CD1-CG 3.88Å; G129-R131 PolarHBondContact O-N 2.99Å; R131-D134 IonicContact CZ-OD2 3.59Å; R131-D134 IonicContact NE-OD2 3.65Å; R131-D134 IonicContact NH2-OD2 3.5Å; R131-D134 PolarHBondContact NH2-OD2 3.36Å
132	L	96	Very high	95.3	Very high	40 Å²	40	48.2 Å²	48.2	21%	0.209	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-73.8	161.2	175.1	-73.3	177.5	0	0	0	111.6	F119 A122 M158 I160	F119-L132 HydrophobicContact CD1-CD2 4.16Å; A122-L132 HydrophobicContact CB-CD2 3.69Å; A122-L132 HydrophobicContact CB-CG 4.46Å; L132-M158 HydrophobicContact CD1-CE 3.62Å; L132-I160 HydrophobicContact CB-CD1 4.35Å
133	P	97.4	Very high	95.3	Very high	13 Å²	13	49.6 Å²	49.6	8%	0.084	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.6	139.8	173.9	25.9	-33.3	0	0	0	111.4	I84 L86 F119 V136 I160	I84-P133 HydrophobicContact CG2-CB 4.08Å; L86-P133 HydrophobicContact CB-CB 3.88Å; L86-P133 HydrophobicContact CB-CG 4.25Å; L86-P133 HydrophobicContact CD2-CG 4.21Å; F119-P133 HydrophobicContact CE1-CG 3.64Å; F119-P133 HydrophobicContact CZ-CG 3.77Å; P133-V136 HydrophobicContact CB-CG2 4.34Å; P133-V136 HydrophobicContact CG-CG2 4.06Å; P133-I160 HydrophobicContact CG-CD1 4.36Å; P133-I160 WeakPolarHBondContact O-CD1 3.31Å; P133-I160 VanDerWaalsContact O-CG2 3.32Å; P133-I160 WeakPolarHBondContact O-CG2 3.34Å
134	D	97.4	Very high	95.2	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.332	27%	0.269	S	S	.	.	S	Bend	trans	-86.6	-19.6	177.7	-59.4	-55.7	0	0	0	111.5	T78 G83 I84 R131 P161	T78-D134 HydrophobicContact CG2-CB 4.22Å; G83-D134 WeakPolarHBondContact CA-OD2 3.05Å; I84-D134 PolarHBondContact N-OD2 2.94Å; I84-D134 PolarHBondContact O-N 3.47Å; R131-D134 IonicContact CZ-OD2 3.59Å; R131-D134 IonicContact NE-OD2 3.65Å; R131-D134 IonicContact NH2-OD2 3.5Å; R131-D134 PolarHBondContact NH2-OD2 3.36Å; D134-P161 VanDerWaalsContact O-CD 3.23Å; D134-P161 WeakPolarHBondContact O-CD 3.39Å; D134-P161 WeakPolarHBondContact O-CG 3.44Å
135	L	98.1	Very high	95.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	137	173.9	-179.1	71.6	0	0	0	110.2	K74 T75 T78 I84 I85 L86 V137 P161 V163	K74-L135 HydrophobicContact CG-CD1 4.49Å; T75-L135 HydrophobicContact CG2-CD2 4.07Å; T78-L135 HydrophobicContact CG2-CB 3.85Å; I84-L135 PolarHBondContact O-N 2.9Å; I85-L135 WeakPolarHBondContact CA-O 3.31Å; I85-L135 HydrophobicContact CG1-CB 4.4Å; I85-L135 HydrophobicContact CG1-CD2 4.4Å; L86-L135 PolarHBondContact N-O 3.37Å; L135-V137 HydrophobicContact CD2-CG2 4.26Å; L135-V137 HydrophobicContact CG-CG2 4.39Å; L135-P161 HydrophobicContact CD1-CB 4.15Å; L135-P161 HydrophobicContact CD1-CG 3.99Å; L135-V163 HydrophobicContact CD1-CG2 4.11Å
136	V	98.3	Very high	95.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.8	172.8	-178.8	0	0	0	0	109.7	L86 I88 F119 P133 F138 I160 P161 T162 V163	L86-V136 HydrophobicContact CB-CG2 4.47Å; L86-V136 WeakPolarHBondContact O-CA 3.25Å; I88-V136 HydrophobicContact CD1-CG1 3.47Å; I88-V136 VanDerWaalsContact CD1-CG1 3.47Å; I88-V136 HydrophobicContact CG1-CG1 3.83Å; F119-V136 HydrophobicContact CE2-CG2 4.1Å; F119-V136 HydrophobicContact CZ-CG2 3.87Å; P133-V136 HydrophobicContact CB-CG2 4.34Å; P133-V136 HydrophobicContact CG-CG2 4.06Å; V136-F138 HydrophobicContact CB-CE2 4.16Å; V136-F138 HydrophobicContact CG1-CD2 3.98Å; V136-F138 HydrophobicContact CG1-CE1 4.4Å; V136-F138 HydrophobicContact CG1-CE2 3.41Å; V136-F138 VanDerWaalsContact CG1-CE2 3.41Å; V136-F138 HydrophobicContact CG1-CZ 3.65Å; V136-I160 HydrophobicContact CG2-CG2 3.88Å; V136-P161 PolarHBondContact N-O 3Å; V136-P161 VanDerWaalsContact N-O 3.16Å; V136-T162 HydrophobicContact CB-CG2 4.35Å; V136-T162 WeakPolarHBondContact O-CA 3.46Å; V136-V163 PolarHBondContact O-N 3.39Å
137	V	98.3	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.5	177.9	-177.9	0	0	0	0	109.3	I85 L86 F87 I88 L135 V163 F196	I85-V137 HydrophobicContact CG2-CG2 3.93Å; L86-V137 PolarHBondContact O-N 2.99Å; F87-V137 CarbonylContact C-O 3.55Å; F87-V137 WeakPolarHBondContact CA-O 3.31Å; F87-V137 HydrophobicContact CD1-CB 3.77Å; F87-V137 HydrophobicContact CD1-CG1 3.9Å; F87-V137 HydrophobicContact CE1-CB 3.95Å; F87-V137 HydrophobicContact CE1-CG1 3.91Å; F87-V137 HydrophobicContact CE1-CG2 4.28Å; I88-V137 PolarHBondContact N-O 3.1Å; L135-V137 HydrophobicContact CD2-CG2 4.26Å; L135-V137 HydrophobicContact CG-CG2 4.39Å; V137-V163 CarbonylContact C-O 3.48Å; V137-V163 WeakPolarHBondContact CA-O 3.48Å; V137-V163 HydrophobicContact CG1-CG1 4.29Å; V137-V163 HydrophobicContact CG2-CB 4.29Å; V137-F196 HydrophobicContact CG1-CD1 4.42Å; V137-F196 HydrophobicContact CG1-CD2 4.31Å; V137-F196 HydrophobicContact CG1-CE1 3.98Å; V137-F196 HydrophobicContact CG1-CE2 3.89Å; V137-F196 HydrophobicContact CG1-CZ 3.71Å; V137-F196 HydrophobicContact CG2-CE1 4.49Å
138	F	97.9	Very high	95.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.7	173.9	-66.7	-88.5	0	0	0	109.8	I88 V136 S140 T141 H149 A151 I152 T162 V163 G164 V165	I88-F138 HydrophobicContact CB-CD1 3.8Å; I88-F138 HydrophobicContact CB-CE1 3.8Å; I88-F138 HydrophobicContact CD1-CE1 3.86Å; I88-F138 HydrophobicContact CD1-CZ 3.96Å; I88-F138 HydrophobicContact CG1-CE1 4.37Å; I88-F138 HydrophobicContact CG2-CD1 3.87Å; I88-F138 HydrophobicContact CG2-CE1 3.71Å; I88-F138 WeakPolarHBondContact O-CA 3.13Å; V136-F138 HydrophobicContact CB-CE2 4.16Å; V136-F138 HydrophobicContact CG1-CD2 3.98Å; V136-F138 HydrophobicContact CG1-CE1 4.4Å; V136-F138 HydrophobicContact CG1-CE2 3.41Å; V136-F138 VanDerWaalsContact CG1-CE2 3.41Å; V136-F138 HydrophobicContact CG1-CZ 3.65Å; F138-S140 VanDerWaalsContact C-N 3.34Å; F138-T141 HydrophobicContact CB-CG2 3.93Å; F138-H149 HydrophobicContact CE1-CB 4.26Å; F138-H149 AromaticContact CE1-ND1 3.91Å; F138-A151 HydrophobicContact CE1-CB 3.94Å; F138-A151 HydrophobicContact CZ-CB 3.78Å; F138-I152 HydrophobicContact CD1-CG1 4.2Å; F138-I152 HydrophobicContact CD2-CG1 4.16Å; F138-I152 HydrophobicContact CE1-CG1 3.77Å; F138-I152 HydrophobicContact CE2-CG1 3.72Å; F138-I152 HydrophobicContact CG-CG1 4.38Å; F138-I152 HydrophobicContact CZ-CB 4.41Å; F138-I152 HydrophobicContact CZ-CG1 3.51Å; F138-T162 HydrophobicContact CE2-CG2 3.83Å; F138-V163 PolarHBondContact N-O 3.05Å; F138-G164 VanDerWaalsContact O-CA 3.31Å; F138-G164 WeakPolarHBondContact O-CA 3.45Å; F138-V165 PolarHBondContact O-N 2.81Å
139	L	96.1	Very high	95.6	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.253	C	S	.	.	S	Bend	trans	-82.5	-20.1	170.4	-65.3	170.8	0	0	0	112.2	I88 V98 M189 F196	I88-L139 PolarHBondContact O-N 3.24Å; V98-L139 HydrophobicContact CB-CD1 4.22Å; V98-L139 HydrophobicContact CG1-CD1 3.91Å; V98-L139 HydrophobicContact CG2-CD1 3.32Å; L139-M189 HydrophobicContact CB-CE 3.62Å; L139-M189 HydrophobicContact CB-SD 4.43Å; L139-M189 HydrophobicContact CD1-CE 4.24Å; L139-M189 HydrophobicContact CG-CE 4.46Å; L139-F196 HydrophobicContact CD2-CD2 4.17Å; L139-F196 HydrophobicContact CD2-CE2 4.13Å
140	S	94.1	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.			trans	-145.4	131.2	167.4	177.8	0	0	0	0	107.5	R91 F138 D183	R91-S140 PolarHBondContact NE-OG 3.09Å; F138-S140 VanDerWaalsContact C-N 3.34Å; S140-D183 WeakPolarHBondContact CB-OD2 3.48Å; S140-D183 PolarHBondContact OG-OD2 2.94Å
141	T	95.5	Very high	95.9	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	21%	0.21	C	C	.	.			trans	-92.2	-12.7	-173.3	57.5	0	0	0	0	113	F138 H149 I152 V165 V166 C170 I175	F138-T141 HydrophobicContact CB-CG2 3.93Å; T141-H149 VanDerWaalsContact O-CB 3.28Å; T141-H149 WeakPolarHBondContact O-CB 3.45Å; T141-H149 PolarHBondContact O-N 2.82Å; T141-I152 HydrophobicContact CG2-CD1 4.18Å; T141-V165 VanDerWaalsContact CG2-O 3.25Å; T141-V165 WeakPolarHBondContact CG2-O 3.11Å; T141-V166 HydrophobicContact CG2-CG1 4.11Å; T141-C170 WeakPolarHBondContact OG1-CB 3.43Å; T141-C170 PolarHBondContact OG1-SG 3.11Å; T141-I175 HydrophobicContact CG2-CD1 3.47Å; T141-I175 VanDerWaalsContact CG2-CD1 3.47Å
142	L	95.9	Very high	95.9	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.047	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-96.4	155.2	176.8	-60.5	-178.8	0	0	0	112	F146 Q147	L142-F146 HydrophobicContact CD1-CD1 4.44Å; L142-Q147 CarbonylContact C-O 3.37Å; L142-Q147 WeakPolarHBondContact CA-O 3.46Å
143	N	94.1	Very high	96	Very high	36 Å²	36	40 Å²	40	19%	0.193	20%	0.197	C	C	.	.			trans	-91.7	-178.9	168	71.3	15.5	0	0	0	111.1	V145 F146 Q147	N143-V145 PolarHBondContact O-N 3.36Å; N143-V145 WeakPolarHBondContact OD1-CA 3.42Å; N143-V145 PolarHBondContact OD1-N 2.79Å; N143-F146 PolarHBondContact O-N 2.96Å; N143-F146 VanDerWaalsContact O-N 3.08Å; N143-F146 PolarHBondContact OD1-N 2.92Å; N143-Q147 VanDerWaalsContact CG-O 3.3Å; N143-Q147 PolarHBondContact N-O 3.46Å; N143-Q147 PolarHBondContact OD1-N 3.07Å; N143-Q147 PolarHBondContact OD1-O 3.38Å
144	N	92	Very high	95.9	Very high	83 Å²	83	39.6 Å²	39.6	44%	0.444	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.7	-178.7	-59.7	-18.4	0	0	0	114.7	R90	R90-N144 PolarHBondContact O-OD1 2.8Å
145	V	94.2	Very high	95.9	Very high	106 Å²	106	36.6 Å²	36.6	64%	0.642	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.7	19.9	179.6	-164.2	0	0	0	0	110	N143 Q147	N143-V145 PolarHBondContact O-N 3.36Å; N143-V145 WeakPolarHBondContact OD1-CA 3.42Å; N143-V145 PolarHBondContact OD1-N 2.79Å; V145-Q147 PolarHBondContact O-N 3.08Å; V145-Q147 VanDerWaalsContact O-N 3.16Å
146	F	94	Very high	95.8	Very high	145 Å²	145	43.3 Å²	43.3	64%	0.636	20%	0.204	S	C	*	.	S	Bend	trans	57	29.6	179.3	-54	-77.3	0	0	0	114.3	L142 N143	L142-F146 HydrophobicContact CD1-CD1 4.44Å; N143-F146 PolarHBondContact O-N 2.96Å; N143-F146 VanDerWaalsContact O-N 3.08Å; N143-F146 PolarHBondContact OD1-N 2.92Å
147	Q	94.9	Very high	95.7	Very high	122 Å²	122	49.6 Å²	49.6	57%	0.57	23%	0.231	S	C	*	.			trans	-105.5	149.6	172.3	-65.1	178	-18.2	0	0	110.4	L142 N143 V145 H149	L142-Q147 CarbonylContact C-O 3.37Å; L142-Q147 WeakPolarHBondContact CA-O 3.46Å; N143-Q147 VanDerWaalsContact CG-O 3.3Å; N143-Q147 PolarHBondContact N-O 3.46Å; N143-Q147 PolarHBondContact OD1-N 3.07Å; N143-Q147 PolarHBondContact OD1-O 3.38Å; V145-Q147 PolarHBondContact O-N 3.08Å; V145-Q147 VanDerWaalsContact O-N 3.16Å; Q147-H149 PolarHBondContact O-N 3.01Å
148	Q	95.3	Very high	95.6	Very high	60 Å²	60	53.1 Å²	53.1	28%	0.28	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-56.3	132.9	176.1	-171.2	172.4	13.1	0	0	111.1	V150 I152	Q148-V150 PolarHBondContact O-N 3.49Å; Q148-I152 HydrophobicContact CG-CD1 3.72Å
149	H	96.4	Very high	95.5	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.028	28%	0.281	C	S	.	.			trans	-62.7	130.7	-177.1	-164.6	-81.8	0	0	0	111.6	R90 W114 F138 T141 Q147 A151 I152	R90-H149 WeakPolarHBondContact CG-CD2 3.46Å; R90-H149 VanDerWaalsContact CG-NE2 3.34Å; R90-H149 WeakPolarHBondContact CG-NE2 3.49Å; W114-H149 AromaticContact CD2-CE1 3.62Å; W114-H149 AromaticContact CE3-CE1 3.74Å; W114-H149 AromaticContact CG-CE1 3.58Å; F138-H149 HydrophobicContact CE1-CB 4.26Å; F138-H149 AromaticContact CE1-ND1 3.91Å; T141-H149 VanDerWaalsContact O-CB 3.28Å; T141-H149 WeakPolarHBondContact O-CB 3.45Å; T141-H149 PolarHBondContact O-N 2.82Å; Q147-H149 PolarHBondContact O-N 3.01Å; H149-A151 WeakPolarHBondContact ND1-CB 3.26Å; H149-A151 PolarHBondContact ND1-N 2.64Å; H149-A151 PolarHBondContact O-N 3.23Å; H149-A151 VanDerWaalsContact O-N 3.17Å; H149-I152 HydrophobicContact CB-CD1 4.25Å; H149-I152 HydrophobicContact CB-CG1 4.42Å; H149-I152 WeakPolarHBondContact O-CB 3.18Å; H149-I152 PolarHBondContact O-N 3.06Å
150	V	95.9	Very high	95.6	Very high	57 Å²	57	59.9 Å²	59.9	35%	0.345	28%	0.284	S	S	.	.	H	α-helix	trans	-58.6	-34.8	-175.8	-176.3	0	0	0	0	112.1	Q148 I152 R153 D154	Q148-V150 PolarHBondContact O-N 3.49Å; V150-I152 PolarHBondContact O-N 3.27Å; V150-I152 VanDerWaalsContact O-N 3.13Å; V150-R153 WeakPolarHBondContact O-CB 3.33Å; V150-R153 PolarHBondContact O-N 3.32Å; V150-R153 VanDerWaalsContact O-N 3.08Å; V150-D154 PolarHBondContact O-N 2.94Å
151	A	96.5	Very high	95.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-24.8	176.3	0	0	0	0	0	114.1	I88 W114 F119 F138 H149 D154 A155	I88-A151 HydrophobicContact CD1-CB 3.72Å; W114-A151 HydrophobicContact CD2-CB 3.93Å; W114-A151 HydrophobicContact CE3-CB 4.06Å; W114-A151 HydrophobicContact CH2-CB 3.65Å; W114-A151 HydrophobicContact CZ2-CB 3.45Å; W114-A151 VanDerWaalsContact CZ2-CB 3.45Å; W114-A151 HydrophobicContact CZ3-CB 3.94Å; F119-A151 HydrophobicContact CE2-CB 4.36Å; F138-A151 HydrophobicContact CE1-CB 3.94Å; F138-A151 HydrophobicContact CZ-CB 3.78Å; H149-A151 WeakPolarHBondContact ND1-CB 3.26Å; H149-A151 PolarHBondContact ND1-N 2.64Å; H149-A151 PolarHBondContact O-N 3.23Å; H149-A151 VanDerWaalsContact O-N 3.17Å; A151-D154 PolarHBondContact O-N 2.84Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 3.43Å
152	I	96.5	Very high	95.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-47.4	175.9	-63.6	167.9	0	0	0	109.7	F138 T141 Q148 H149 V150 R156 L174 I175	F138-I152 HydrophobicContact CD1-CG1 4.2Å; F138-I152 HydrophobicContact CD2-CG1 4.16Å; F138-I152 HydrophobicContact CE1-CG1 3.77Å; F138-I152 HydrophobicContact CE2-CG1 3.72Å; F138-I152 HydrophobicContact CG-CG1 4.38Å; F138-I152 HydrophobicContact CZ-CB 4.41Å; F138-I152 HydrophobicContact CZ-CG1 3.51Å; T141-I152 HydrophobicContact CG2-CD1 4.18Å; Q148-I152 HydrophobicContact CG-CD1 3.72Å; H149-I152 HydrophobicContact CB-CD1 4.25Å; H149-I152 HydrophobicContact CB-CG1 4.42Å; H149-I152 WeakPolarHBondContact O-CB 3.18Å; H149-I152 PolarHBondContact O-N 3.06Å; V150-I152 PolarHBondContact O-N 3.27Å; V150-I152 VanDerWaalsContact O-N 3.13Å; I152-R156 PolarHBondContact O-N 2.93Å; I152-R156 VanDerWaalsContact O-N 3.08Å; I152-L174 HydrophobicContact CG2-CB 3.66Å; I152-I175 HydrophobicContact CD1-CD1 4.47Å; I152-I175 HydrophobicContact CG2-CG1 4.27Å
153	R	96.3	Very high	96	Very high	136 Å²	136	61 Å²	61	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-42.9	176.1	-176.2	-172.2	67.6	-171.8	-1.6	111.3	V150 R156 K157	V150-R153 WeakPolarHBondContact O-CB 3.33Å; V150-R153 PolarHBondContact O-N 3.32Å; V150-R153 VanDerWaalsContact O-N 3.08Å; R153-R156 PolarHBondContact O-N 3.41Å; R153-K157 WeakPolarHBondContact O-CG 3.34Å; R153-K157 PolarHBondContact O-N 3.03Å; R153-K157 VanDerWaalsContact O-N 3.09Å
154	D	96.4	Very high	96.2	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-40.9	-178	-63.4	-8.7	0	0	0	111.1	F119 T120 V150 A151 R156 K157 M158	F119-D154 HydrophobicContact CB-CB 4.19Å; F119-D154 HydrophobicContact CD2-CB 4.03Å; T120-D154 HydrophobicContact CG2-CB 4.34Å; V150-D154 PolarHBondContact O-N 2.94Å; A151-D154 PolarHBondContact O-N 2.84Å; D154-R156 VanDerWaalsContact C-N 3.34Å; D154-R156 PolarHBondContact O-N 3.24Å; D154-K157 PolarHBondContact O-N 3.24Å; D154-M158 WeakPolarHBondContact O-CG 3.46Å; D154-M158 PolarHBondContact O-N 3.11Å
155	A	96.9	Very high	96.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-44.6	173.4	0	0	0	0	0	111.3	F119 A151 K157 M158 N159 I160 T162	F119-A155 HydrophobicContact CD2-CB 4.4Å; F119-A155 HydrophobicContact CE2-CB 4.16Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 3.43Å; A155-K157 VanDerWaalsContact C-N 3.3Å; A155-K157 PolarHBondContact O-N 2.87Å; A155-M158 CarbonylContact O-C 3.55Å; A155-M158 PolarHBondContact O-N 2.82Å; A155-M158 VanDerWaalsContact O-N 3.13Å; A155-N159 PolarHBondContact O-N 3.31Å; A155-N159 VanDerWaalsContact O-N 3.1Å; A155-I160 HydrophobicContact CB-CB 4.19Å; A155-I160 PolarHBondContact O-N 3.32Å; A155-T162 HydrophobicContact CB-CG2 3.55Å
156	R	95.9	Very high	96.6	Very high	140 Å²	140	50.5 Å²	50.5	53%	0.528	23%	0.233	S	C	.	.	H	α-helix	trans	-60.7	-38.5	177.4	-177	63.4	-174.5	94.9	-7	112.8	I152 R153 D154 M158 N159	I152-R156 PolarHBondContact O-N 2.93Å; I152-R156 VanDerWaalsContact O-N 3.08Å; R153-R156 PolarHBondContact O-N 3.41Å; D154-R156 VanDerWaalsContact C-N 3.34Å; D154-R156 PolarHBondContact O-N 3.24Å; R156-M158 VanDerWaalsContact C-N 3.35Å; R156-N159 PolarHBondContact O-N 3.29Å
157	K	96.5	Very high	96.7	Very high	133 Å²	133	43.6 Å²	43.6	58%	0.578	20%	0.203	S	C	*	.	H	α-helix	trans	-66.7	-36	175.7	-74.7	-179.8	175.3	-171.4	0	112.4	T120 R153 D154 A155 N159	T120-K157 HydrophobicContact CG2-CD 4.48Å; R153-K157 WeakPolarHBondContact O-CG 3.34Å; R153-K157 PolarHBondContact O-N 3.03Å; R153-K157 VanDerWaalsContact O-N 3.09Å; D154-K157 PolarHBondContact O-N 3.24Å; A155-K157 VanDerWaalsContact C-N 3.3Å; A155-K157 PolarHBondContact O-N 2.87Å; K157-N159 VanDerWaalsContact C-N 3.26Å; K157-N159 PolarHBondContact O-N 3.3Å
158	M	96.1	Very high	96.7	Very high	74 Å²	74	37.8 Å²	37.8	37%	0.365	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	7	178	-60	-52.2	-70.3	0	0	113.4	F119 T120 L132 D154 A155 R156 I160	F119-M158 HydrophobicContact CB-CG 4.03Å; T120-M158 HydrophobicContact CG2-SD 4.42Å; L132-M158 HydrophobicContact CD1-CE 3.62Å; D154-M158 WeakPolarHBondContact O-CG 3.46Å; D154-M158 PolarHBondContact O-N 3.11Å; A155-M158 CarbonylContact O-C 3.55Å; A155-M158 PolarHBondContact O-N 2.82Å; A155-M158 VanDerWaalsContact O-N 3.13Å; R156-M158 VanDerWaalsContact C-N 3.35Å; M158-I160 HydrophobicContact CB-CD1 3.75Å; M158-I160 HydrophobicContact CB-CG1 3.91Å; M158-I160 PolarHBondContact O-N 3.37Å
159	N	96.6	Very high	96.7	Very high	129 Å²	129	36.2 Å²	36.2	69%	0.69	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	30.6	-175.3	-60	-44.5	0	0	0	114.1	A155 R156 K157	A155-N159 PolarHBondContact O-N 3.31Å; A155-N159 VanDerWaalsContact O-N 3.1Å; R156-N159 PolarHBondContact O-N 3.29Å; K157-N159 VanDerWaalsContact C-N 3.26Å; K157-N159 PolarHBondContact O-N 3.3Å
160	I	97.4	Very high	96.7	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.072	17%	0.167	C	C	.	.			trans	-88.4	123.2	176.3	-58	167.8	0	0	0	108	L132 P133 V136 A155 M158	L132-I160 HydrophobicContact CB-CD1 4.35Å; P133-I160 HydrophobicContact CG-CD1 4.36Å; P133-I160 WeakPolarHBondContact O-CD1 3.31Å; P133-I160 VanDerWaalsContact O-CG2 3.32Å; P133-I160 WeakPolarHBondContact O-CG2 3.34Å; V136-I160 HydrophobicContact CG2-CG2 3.88Å; A155-I160 HydrophobicContact CB-CB 4.19Å; A155-I160 PolarHBondContact O-N 3.32Å; M158-I160 HydrophobicContact CB-CD1 3.75Å; M158-I160 HydrophobicContact CB-CG1 3.91Å; M158-I160 PolarHBondContact O-N 3.37Å
161	P	97.8	Very high	96.7	Very high	33 Å²	33	35.2 Å²	35.2	21%	0.214	16%	0.162	C	C	.	.			trans	-65.1	145.8	176.3	27.6	-34.7	0	0	0	111	D134 L135 V136 T176	D134-P161 VanDerWaalsContact O-CD 3.23Å; D134-P161 WeakPolarHBondContact O-CD 3.39Å; D134-P161 WeakPolarHBondContact O-CG 3.44Å; L135-P161 HydrophobicContact CD1-CB 4.15Å; L135-P161 HydrophobicContact CD1-CG 3.99Å; V136-P161 PolarHBondContact N-O 3Å; V136-P161 VanDerWaalsContact N-O 3.16Å; P161-T176 HydrophobicContact CB-CG2 4.48Å
162	T	98.2	Very high	96.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.6	-178.3	57.1	0	0	0	0	111	V136 F138 A155 I175 T176 Y177	V136-T162 HydrophobicContact CB-CG2 4.35Å; V136-T162 WeakPolarHBondContact O-CA 3.46Å; F138-T162 HydrophobicContact CE2-CG2 3.83Å; A155-T162 HydrophobicContact CB-CG2 3.55Å; T162-I175 WeakPolarHBondContact OG1-CA 3.05Å; T162-T176 PolarHBondContact N-OG1 3.01Å; T162-T176 VanDerWaalsContact N-OG1 3.08Å; T162-T176 WeakPolarHBondContact O-CA 3.26Å; T162-T176 VanDerWaalsContact O-CB 3.3Å; T162-T176 WeakPolarHBondContact O-CB 3.4Å; T162-T176 PolarHBondContact O-N 3.42Å; T162-T176 PolarHBondContact OG1-N 2.77Å; T162-T176 VanDerWaalsContact OG1-N 3.16Å; T162-Y177 PolarHBondContact O-N 2.85Å
163	V	98.4	Very high	96.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.8	165	169.6	0	0	0	0	106.6	A71 L135 V136 V137 F138 Y177 F196	A71-V163 HydrophobicContact CB-CG1 3.64Å; A71-V163 HydrophobicContact CB-CG2 4.21Å; L135-V163 HydrophobicContact CD1-CG2 4.11Å; V136-V163 PolarHBondContact O-N 3.39Å; V137-V163 CarbonylContact C-O 3.48Å; V137-V163 WeakPolarHBondContact CA-O 3.48Å; V137-V163 HydrophobicContact CG1-CG1 4.29Å; V137-V163 HydrophobicContact CG2-CB 4.29Å; F138-V163 PolarHBondContact N-O 3.05Å; V163-Y177 WeakPolarHBondContact CA-O 3.48Å; V163-Y177 HydrophobicContact CG2-CD2 4.22Å; V163-Y177 HydrophobicContact CG2-CG 4.37Å; V163-F196 HydrophobicContact CG1-CE1 4.2Å; V163-F196 HydrophobicContact CG1-CZ 3.86Å
164	G	97.2	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	131.3	-179.1	0	0	0	0	0	114.2	F138 V166 Y177 P178 V179	F138-G164 VanDerWaalsContact O-CA 3.31Å; F138-G164 WeakPolarHBondContact O-CA 3.45Å; G164-V166 PolarHBondContact O-N 3.31Å; G164-Y177 PolarHBondContact N-O 3.17Å; G164-Y177 VanDerWaalsContact N-O 3.1Å; G164-P178 CarbonylContact O-C 3.5Å; G164-P178 WeakPolarHBondContact O-CA 3.45Å; G164-V179 PolarHBondContact O-N 3.48Å
165	V	97.6	Very high	96.6	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.3	168.5	-176.8	0	0	0	0	108.5	F138 T141 V179 G181 D183 Y192	F138-V165 PolarHBondContact O-N 2.81Å; T141-V165 VanDerWaalsContact CG2-O 3.25Å; T141-V165 WeakPolarHBondContact CG2-O 3.11Å; V165-V179 CarbonylContact C-O 3.54Å; V165-V179 VanDerWaalsContact CA-O 3.31Å; V165-V179 WeakPolarHBondContact CA-O 3.48Å; V165-G181 WeakPolarHBondContact CG1-O 3.34Å; V165-D183 HydrophobicContact CG1-CB 4.25Å; V165-Y192 HydrophobicContact CB-CE2 4.49Å; V165-Y192 HydrophobicContact CG1-CE2 3.77Å; V165-Y192 HydrophobicContact CG2-CD1 4.4Å; V165-Y192 HydrophobicContact CG2-CD2 4.03Å; V165-Y192 HydrophobicContact CG2-CE1 4.35Å; V165-Y192 HydrophobicContact CG2-CE2 3.98Å; V165-Y192 HydrophobicContact CG2-CG 4.25Å
166	V	97.1	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.5	-178.1	-68.2	0	0	0	0	110.2	M45 T141 G164 C170 P172 I175 P178 V179 P180 G181	M45-V166 HydrophobicContact CE-CB 4.31Å; M45-V166 HydrophobicContact CE-CG2 3.91Å; M45-V166 HydrophobicContact SD-CB 4.08Å; M45-V166 HydrophobicContact SD-CG2 3.88Å; T141-V166 HydrophobicContact CG2-CG1 4.11Å; G164-V166 PolarHBondContact O-N 3.31Å; V166-C170 HydrophobicContact CB-CB 3.99Å; V166-C170 HydrophobicContact CG1-CB 4.23Å; V166-P172 HydrophobicContact CG1-CB 4.38Å; V166-P172 HydrophobicContact CG2-CB 4.43Å; V166-I175 HydrophobicContact CG1-CD1 3.43Å; V166-I175 VanDerWaalsContact CG1-CD1 3.43Å; V166-P178 HydrophobicContact CG1-CB 4.37Å; V166-P178 HydrophobicContact CG2-CB 4Å; V166-V179 PolarHBondContact N-O 2.99Å; V166-P180 HydrophobicContact CG2-CB 4.38Å; V166-P180 WeakPolarHBondContact O-CA 3.2Å; V166-G181 CarbonylContact C-O 3.59Å; V166-G181 PolarHBondContact O-N 3.47Å
167	D	96.1	Very high	96.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.194	C	C	.	.			trans	-83.5	171.4	171.8	-154.8	-44.2	0	0	0	110.1	H36 M45 N169 C170 D183	H36-D167 VanDerWaalsContact CE1-CG 3.46Å; H36-D167 IonicContact CE1-OD1 3.21Å; H36-D167 IonicContact CE1-OD2 3.19Å; H36-D167 PolarHBondContact CE1-OD2 3.04Å; H36-D167 IonicContact ND1-OD1 3.68Å; H36-D167 PolarHBondContact ND1-OD1 2.93Å; H36-D167 IonicContact ND1-OD2 3.65Å; H36-D167 PolarHBondContact ND1-OD2 3.15Å; M45-D167 WeakPolarHBondContact CE-O 3.32Å; D167-N169 PolarHBondContact O-N 3.44Å; D167-C170 PolarHBondContact N-SG 3.48Å; D167-C170 VanDerWaalsContact O-CB 3.29Å; D167-C170 WeakPolarHBondContact O-CB 3.28Å; D167-C170 PolarHBondContact O-N 3.42Å; D167-D183 PolarHBondContact OD2-N 3.39Å
168	S	96.2	Very high	96.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.1	-175.9	68.6	0	0	0	0	114.3	H36 H42	H36-S168 WeakPolarHBondContact CB-OG 3.34Å; H36-S168 PolarHBondContact N-OG 3.37Å; H42-S168 PolarHBondContact N-O 3.35Å
169	N	95.6	Very high	96.8	Very high	26 Å²	26	27.6 Å²	27.6	14%	0.139	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.5	176.1	65.1	-0.9	0	0	0	114.2	H36 C40 D167	H36-N169 PolarHBondContact NE2-ND2 3.35Å; C40-N169 HydrophobicContact CB-CB 4.39Å; C40-N169 WeakPolarHBondContact O-CA 3.44Å; C40-N169 WeakPolarHBondContact O-CB 3.31Å; D167-N169 PolarHBondContact O-N 3.44Å
170	C	95.9	Very high	96.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-89.2	159.8	-175.1	-64.9	0	0	0	0	112.3	H42 M45 T141 V166 D167 P172	H42-C170 VanDerWaalsContact CB-O 3.31Å; H42-C170 WeakPolarHBondContact CB-O 3.41Å; H42-C170 VanDerWaalsContact CG-O 3.32Å; H42-C170 PolarHBondContact ND1-O 3.09Å; M45-C170 WeakPolarHBondContact CG-O 3.28Å; T141-C170 WeakPolarHBondContact OG1-CB 3.43Å; T141-C170 PolarHBondContact OG1-SG 3.11Å; V166-C170 HydrophobicContact CB-CB 3.99Å; V166-C170 HydrophobicContact CG1-CB 4.23Å; D167-C170 PolarHBondContact N-SG 3.48Å; D167-C170 VanDerWaalsContact O-CB 3.29Å; D167-C170 WeakPolarHBondContact O-CB 3.28Å; D167-C170 PolarHBondContact O-N 3.42Å; C170-P172 WeakPolarHBondContact O-CD 3.27Å
171	N	95.9	Very high	96.9	Very high	42 Å²	42	20.8 Å²	20.8	23%	0.225	12%	0.119	C	C	.	.			trans	-101.1	109.5	172.6	-178.8	-1.4	0	0	0	110.9	L44 S173	L44-N171 WeakPolarHBondContact CD1-OD1 3.36Å; N171-S173 WeakPolarHBondContact OD1-CB 3.47Å; N171-S173 PolarHBondContact OD1-N 3.18Å; N171-S173 PolarHBondContact OD1-OG 3.49Å
172	P	95.8	Very high	96.8	Very high	10 Å²	10	19.4 Å²	19.4	7%	0.065	11%	0.11	C	C	.	.			trans	-78	-14.7	-179.1	31	-35	0	0	0	114.6	L44 M45 Y48 V166 C170 L174 I175 P178	L44-P172 HydrophobicContact CB-CG 4.09Å; M45-P172 HydrophobicContact SD-CB 4.31Å; M45-P172 HydrophobicContact SD-CG 3.86Å; Y48-P172 HydrophobicContact CE2-CB 4.47Å; Y48-P172 HydrophobicContact CE2-CG 4.19Å; V166-P172 HydrophobicContact CG1-CB 4.38Å; V166-P172 HydrophobicContact CG2-CB 4.43Å; C170-P172 WeakPolarHBondContact O-CD 3.27Å; P172-L174 VanDerWaalsContact C-N 3.31Å; P172-L174 PolarHBondContact O-N 3.15Å; P172-L174 VanDerWaalsContact O-N 3.1Å; P172-I175 PolarHBondContact O-N 3.21Å; P172-P178 HydrophobicContact CB-CB 3.95Å; P172-P178 HydrophobicContact CB-CG 4.42Å
173	S	94.9	Very high	96.7	Very high	81 Å²	81	19.3 Å²	19.3	57%	0.566	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.5	-167	-74.1	0	0	0	0	116.6	L44 N171	L44-S173 WeakPolarHBondContact CD1-OG 3.34Å; N171-S173 WeakPolarHBondContact OD1-CB 3.47Å; N171-S173 PolarHBondContact OD1-N 3.18Å; N171-S173 PolarHBondContact OD1-OG 3.49Å
174	L	94.6	Very high	96.5	Very high	67 Å²	67	21.7 Å²	21.7	35%	0.351	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-1	-175.4	-64.2	179.7	0	0	0	112.9	I152 P172	I152-L174 HydrophobicContact CG2-CB 3.66Å; P172-L174 VanDerWaalsContact C-N 3.31Å; P172-L174 PolarHBondContact O-N 3.15Å; P172-L174 VanDerWaalsContact O-N 3.1Å
175	I	97.1	Very high	96.5	Very high	11 Å²	11	23 Å²	23	6%	0.056	13%	0.13	C	C	.	.			trans	-94.2	131.6	-178.3	-57.6	173.2	0	0	0	108.3	T141 I152 T162 V166 P172 P178	T141-I175 HydrophobicContact CG2-CD1 3.47Å; T141-I175 VanDerWaalsContact CG2-CD1 3.47Å; I152-I175 HydrophobicContact CD1-CD1 4.47Å; I152-I175 HydrophobicContact CG2-CG1 4.27Å; T162-I175 WeakPolarHBondContact OG1-CA 3.05Å; V166-I175 HydrophobicContact CG1-CD1 3.43Å; V166-I175 VanDerWaalsContact CG1-CD1 3.43Å; P172-I175 PolarHBondContact O-N 3.21Å; I175-P178 HydrophobicContact CB-CB 4.39Å; I175-P178 HydrophobicContact CG2-CB 4.31Å
176	T	97.3	Very high	96.4	Very high	71 Å²	71	26 Å²	26	44%	0.436	15%	0.149	S	C	.	.	S	Bend	trans	-70.8	-42.5	-177.2	-43.7	0	0	0	0	111.7	P161 T162	P161-T176 HydrophobicContact CB-CG2 4.48Å; T162-T176 PolarHBondContact N-OG1 3.01Å; T162-T176 VanDerWaalsContact N-OG1 3.08Å; T162-T176 WeakPolarHBondContact O-CA 3.26Å; T162-T176 VanDerWaalsContact O-CB 3.3Å; T162-T176 WeakPolarHBondContact O-CB 3.4Å; T162-T176 PolarHBondContact O-N 3.42Å; T162-T176 PolarHBondContact OG1-N 2.77Å; T162-T176 VanDerWaalsContact OG1-N 3.16Å
177	Y	98	Very high	96.4	Very high	69 Å²	69	29.3 Å²	29.3	27%	0.271	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	81.4	177	-60.2	-89	0	0	0	108.6	R70 K74 T162 V163 G164	R70-Y177 HydrophobicContact CB-CD1 4.41Å; K74-Y177 HydrophobicContact CB-CE1 4.45Å; K74-Y177 HydrophobicContact CB-CE2 4.24Å; K74-Y177 HydrophobicContact CD-CE2 4.21Å; K74-Y177 HydrophobicContact CG-CD2 4.18Å; K74-Y177 HydrophobicContact CG-CE2 3.68Å; T162-Y177 PolarHBondContact O-N 2.85Å; V163-Y177 WeakPolarHBondContact CA-O 3.48Å; V163-Y177 HydrophobicContact CG2-CD2 4.22Å; V163-Y177 HydrophobicContact CG2-CG 4.37Å; G164-Y177 PolarHBondContact N-O 3.17Å; G164-Y177 VanDerWaalsContact N-O 3.1Å
178	P	97.8	Very high	96.5	Very high	20 Å²	20	29.2 Å²	29.2	13%	0.13	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.3	174.4	30.1	-32.9	0	0	0	109.3	D67 G164 V166 P172 I175	D67-P178 WeakPolarHBondContact CB-O 3.49Å; G164-P178 CarbonylContact O-C 3.5Å; G164-P178 WeakPolarHBondContact O-CA 3.45Å; V166-P178 HydrophobicContact CG1-CB 4.37Å; V166-P178 HydrophobicContact CG2-CB 4Å; P172-P178 HydrophobicContact CB-CB 3.95Å; P172-P178 HydrophobicContact CB-CG 4.42Å; I175-P178 HydrophobicContact CB-CB 4.39Å; I175-P178 HydrophobicContact CG2-CB 4.31Å
179	V	98.1	Very high	96.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	104.6	174.3	-179.9	0	0	0	0	107.5	T64 L68 A71 G164 V165 V166 G181	T64-V179 HydrophobicContact CG2-CG1 4.26Å; L68-V179 HydrophobicContact CB-CG1 3.85Å; L68-V179 HydrophobicContact CD1-CG1 4.09Å; L68-V179 HydrophobicContact CD1-CG2 4.47Å; L68-V179 HydrophobicContact CG-CG1 4.47Å; A71-V179 HydrophobicContact CB-CG2 3.55Å; G164-V179 PolarHBondContact O-N 3.48Å; V165-V179 CarbonylContact C-O 3.54Å; V165-V179 VanDerWaalsContact CA-O 3.31Å; V165-V179 WeakPolarHBondContact CA-O 3.48Å; V166-V179 PolarHBondContact N-O 2.99Å; V179-G181 PolarHBondContact O-N 3.12Å
180	P	97.9	Very high	96.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124.5	-179.7	29.4	-35.1	0	0	0	109.9	M45 Y48 I59 T64 D67 V166	M45-P180 HydrophobicContact CE-CB 4.18Å; Y48-P180 HydrophobicContact CD1-CB 3.98Å; Y48-P180 HydrophobicContact CD1-CG 3.69Å; Y48-P180 HydrophobicContact CE1-CG 4.34Å; Y48-P180 HydrophobicContact CG-CB 4.05Å; Y48-P180 HydrophobicContact CG-CG 4.28Å; I59-P180 HydrophobicContact CG2-CB 3.82Å; T64-P180 VanDerWaalsContact CB-O 3.31Å; T64-P180 WeakPolarHBondContact CB-O 3.32Å; T64-P180 WeakPolarHBondContact CG2-O 3.42Å; T64-P180 PolarHBondContact OG1-O 3.49Å; D67-P180 VanDerWaalsContact OD2-CD 3.24Å; D67-P180 WeakPolarHBondContact OD2-CD 3.31Å; V166-P180 HydrophobicContact CG2-CB 4.38Å; V166-P180 WeakPolarHBondContact O-CA 3.2Å
181	G	97.2	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	174.8	161.2	-179.5	0	0	0	0	0	113.5	V165 V166 V179 D183	V165-G181 WeakPolarHBondContact CG1-O 3.34Å; V166-G181 CarbonylContact C-O 3.59Å; V166-G181 PolarHBondContact O-N 3.47Å; V179-G181 PolarHBondContact O-N 3.12Å; G181-D183 PolarHBondContact O-N 3.29Å
182	N	96.6	Very high	96.8	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	18%	0.179	C	C	.	.			trans	-60.2	126.9	177	-176.7	-14	0	0	0	112	R31 V32 L34 D184 T185 A188 Y192	R31-N182 WeakPolarHBondContact O-CB 3.31Å; R31-N182 PolarHBondContact O-ND2 3.47Å; V32-N182 WeakPolarHBondContact O-CB 3.22Å; V32-N182 PolarHBondContact O-N 2.96Å; L34-N182 VanDerWaalsContact O-CB 3.31Å; L34-N182 WeakPolarHBondContact O-CB 3.5Å; N182-D184 PolarHBondContact OD1-N 3.29Å; N182-T185 WeakPolarHBondContact ND2-CB 3.44Å; N182-T185 PolarHBondContact ND2-OG1 3.4Å; N182-T185 PolarHBondContact OD1-N 3.2Å; N182-T185 VanDerWaalsContact OD1-N 3.11Å; N182-A188 HydrophobicContact CB-CB 4.44Å; N182-Y192 WeakPolarHBondContact O-CE2 3.4Å; N182-Y192 PolarHBondContact O-OH 3.46Å
183	D	95.3	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-110.1	3.7	176.8	85.1	-21.5	0	0	0	114.3	R91 S140 V165 D167 G181	R91-D183 IonicContact CZ-OD1 2.9Å; R91-D183 IonicContact NE-OD2 2.65Å; R91-D183 IonicContact NH2-OD1 2.65Å; R91-D183 PolarHBondContact NH2-OD1 2.89Å; R91-D183 IonicContact NH2-OD2 3.37Å; R91-D183 PolarHBondContact NH2-OD2 3.2Å; S140-D183 WeakPolarHBondContact CB-OD2 3.48Å; S140-D183 PolarHBondContact OG-OD2 2.94Å; V165-D183 HydrophobicContact CG1-CB 4.25Å; D167-D183 PolarHBondContact OD2-N 3.39Å; G181-D183 PolarHBondContact O-N 3.29Å
184	D	94.6	Very high	97	Very high	51 Å²	51	33.4 Å²	33.4	27%	0.273	17%	0.172	S	C	.	.	S	Bend	trans	-100.4	-33.6	-175.7	-75.8	-45.2	0	0	0	113.6	H36 R91 F94 N182	H36-D184 IonicContact CE1-OD2 2.97Å; H36-D184 PolarHBondContact CE1-OD2 3.36Å; H36-D184 IonicContact NE2-OD2 3.2Å; H36-D184 PolarHBondContact NE2-OD2 2.93Å; R91-D184 IonicContact CZ-OD1 3.02Å; R91-D184 IonicContact NH1-OD1 2.72Å; R91-D184 PolarHBondContact NH1-OD1 3.27Å; R91-D184 IonicContact NH2-OD1 2.8Å; R91-D184 PolarHBondContact NH2-OD1 3.35Å; F94-D184 VanDerWaalsContact CZ-O 3.31Å; F94-D184 WeakPolarHBondContact CZ-O 3.45Å; N182-D184 PolarHBondContact OD1-N 3.29Å
185	T	96.1	Very high	97.2	Very high	28 Å²	28	30.2 Å²	30.2	17%	0.172	16%	0.155	C	C	.	.			trans	-82.4	132.4	-171.7	-62.6	0	0	0	0	111.8	N182 V187 A188 M189	N182-T185 WeakPolarHBondContact ND2-CB 3.44Å; N182-T185 PolarHBondContact ND2-OG1 3.4Å; N182-T185 PolarHBondContact OD1-N 3.2Å; N182-T185 VanDerWaalsContact OD1-N 3.11Å; T185-V187 VanDerWaalsContact C-N 3.29Å; T185-V187 HydrophobicContact CG2-CB 4.24Å; T185-V187 HydrophobicContact CG2-CG2 4.33Å; T185-V187 PolarHBondContact O-N 3.16Å; T185-A188 PolarHBondContact O-N 2.8Å; T185-A188 VanDerWaalsContact O-N 3.15Å; T185-M189 PolarHBondContact O-N 2.85Å; T185-M189 VanDerWaalsContact O-N 3.11Å
186	P	96.4	Very high	97.2	Very high	64 Å²	64	29.8 Å²	29.8	42%	0.416	15%	0.153	S	C	.	.	H	α-helix	trans	-54.9	-41.4	179	-26.6	33	0	0	0	114.2	F94 A188 M189 E190	F94-P186 HydrophobicContact CE1-CB 3.84Å; F94-P186 HydrophobicContact CE1-CG 3.87Å; F94-P186 HydrophobicContact CZ-CB 4.37Å; F94-P186 HydrophobicContact CZ-CG 4.06Å; P186-A188 VanDerWaalsContact C-N 3.34Å; P186-A188 PolarHBondContact O-N 3.39Å; P186-M189 PolarHBondContact O-N 2.81Å; P186-E190 WeakPolarHBondContact O-CB 3.29Å; P186-E190 WeakPolarHBondContact O-CG 3.5Å; P186-E190 PolarHBondContact O-N 3.07Å
187	V	97.4	Very high	97.2	Very high	70 Å²	70	29.6 Å²	29.6	42%	0.424	15%	0.146	S	C	.	.	H	α-helix	trans	-62.4	-40.4	-179.5	-169	0	0	0	0	111.7	A30 T185 L191	A30-V187 HydrophobicContact CB-CG1 4.05Å; T185-V187 VanDerWaalsContact C-N 3.29Å; T185-V187 HydrophobicContact CG2-CB 4.24Å; T185-V187 HydrophobicContact CG2-CG2 4.33Å; T185-V187 PolarHBondContact O-N 3.16Å; V187-L191 WeakPolarHBondContact O-CB 3.28Å; V187-L191 PolarHBondContact O-N 3.17Å
188	A	97.4	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-44.1	175.4	0	0	0	0	0	111.2	A30 V32 N182 T185 P186 E190 L191 Y192	A30-A188 PolarHBondContact O-N 3.44Å; V32-A188 HydrophobicContact CG2-CB 4.14Å; N182-A188 HydrophobicContact CB-CB 4.44Å; T185-A188 PolarHBondContact O-N 2.8Å; T185-A188 VanDerWaalsContact O-N 3.15Å; P186-A188 VanDerWaalsContact C-N 3.34Å; P186-A188 PolarHBondContact O-N 3.39Å; A188-E190 PolarHBondContact O-N 3.08Å; A188-L191 WeakPolarHBondContact O-CB 3.14Å; A188-L191 PolarHBondContact O-N 3.13Å; A188-Y192 HydrophobicContact CB-CE2 4.17Å; A188-Y192 WeakPolarHBondContact O-CD2 3.32Å; A188-Y192 PolarHBondContact O-N 3.08Å
189	M	96.9	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-40.4	179.5	-69.7	-65.4	-64.7	0	0	113	F94 L97 L139 T185 P186 L191 Y192 C193	F94-M189 HydrophobicContact CB-CE 3.96Å; F94-M189 HydrophobicContact CD1-CB 4.01Å; F94-M189 HydrophobicContact CD1-CG 4.26Å; F94-M189 HydrophobicContact CD2-CB 4.26Å; F94-M189 HydrophobicContact CD2-CE 3.8Å; F94-M189 HydrophobicContact CD2-CG 3.65Å; F94-M189 HydrophobicContact CD2-SD 4.34Å; F94-M189 HydrophobicContact CE1-CB 4.2Å; F94-M189 HydrophobicContact CE1-CG 4.28Å; F94-M189 HydrophobicContact CE2-CB 4.41Å; F94-M189 HydrophobicContact CE2-CG 3.64Å; F94-M189 HydrophobicContact CG-CB 4.06Å; F94-M189 HydrophobicContact CG-CE 3.98Å; F94-M189 HydrophobicContact CG-CG 3.98Å; F94-M189 HydrophobicContact CZ-CB 4.38Å; F94-M189 HydrophobicContact CZ-CG 3.97Å; L97-M189 HydrophobicContact CD2-CB 4.39Å; L139-M189 HydrophobicContact CB-CE 3.62Å; L139-M189 HydrophobicContact CB-SD 4.43Å; L139-M189 HydrophobicContact CD1-CE 4.24Å; L139-M189 HydrophobicContact CG-CE 4.46Å; T185-M189 PolarHBondContact O-N 2.85Å; T185-M189 VanDerWaalsContact O-N 3.11Å; P186-M189 PolarHBondContact O-N 2.81Å; M189-L191 VanDerWaalsContact C-N 3.34Å; M189-Y192 PolarHBondContact O-N 3.17Å; M189-Y192 HydrophobicContact SD-CD2 4.2Å; M189-C193 WeakPolarHBondContact O-CB 3.37Å; M189-C193 PolarHBondContact O-N 2.96Å; M189-C193 PolarHBondContact O-SG 3.37Å
190	E	97.4	Very high	97.1	Very high	111 Å²	111	27.5 Å²	27.5	52%	0.519	14%	0.14	S	C	.	.	H	α-helix	trans	-62.6	-41.3	171.6	-74.4	174.3	-171.2	0	0	111.6	L97 P186 A188 C193 R194	L97-E190 HydrophobicContact CD1-CG 4.41Å; L97-E190 HydrophobicContact CD2-CG 3.84Å; P186-E190 WeakPolarHBondContact O-CB 3.29Å; P186-E190 WeakPolarHBondContact O-CG 3.5Å; P186-E190 PolarHBondContact O-N 3.07Å; A188-E190 PolarHBondContact O-N 3.08Å; E190-C193 PolarHBondContact O-N 3.43Å; E190-R194 VanDerWaalsContact O-CB 3.23Å; E190-R194 WeakPolarHBondContact O-CB 3.31Å; E190-R194 PolarHBondContact O-N 3.46Å
191	L	97.8	Very high	97.1	Very high	11 Å²	11	29.9 Å²	29.9	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-52.3	174.5	177.6	63.6	0	0	0	111.1	L27 A30 V32 V187 A188 M189 C193 R194 L195	L27-L191 HydrophobicContact CD2-CD2 3.94Å; A30-L191 HydrophobicContact CB-CB 4.18Å; A30-L191 HydrophobicContact CB-CD2 3.49Å; A30-L191 VanDerWaalsContact CB-CD2 3.49Å; A30-L191 HydrophobicContact CB-CG 4.42Å; V32-L191 HydrophobicContact CG2-CD2 4.22Å; V187-L191 WeakPolarHBondContact O-CB 3.28Å; V187-L191 PolarHBondContact O-N 3.17Å; A188-L191 WeakPolarHBondContact O-CB 3.14Å; A188-L191 PolarHBondContact O-N 3.13Å; M189-L191 VanDerWaalsContact C-N 3.34Å; L191-C193 PolarHBondContact O-N 2.85Å; L191-R194 PolarHBondContact O-N 3.39Å; L191-L195 HydrophobicContact CD1-CD1 3.99Å; L191-L195 HydrophobicContact CD1-CG 4.04Å; L191-L195 HydrophobicContact CG-CD1 3.97Å; L191-L195 HydrophobicContact CG-CG 4.39Å; L191-L195 VanDerWaalsContact O-CG 3.31Å; L191-L195 WeakPolarHBondContact O-CG 3.48Å; L191-L195 PolarHBondContact O-N 2.97Å
192	Y	97.9	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-47.8	179.2	-60.5	-48.4	0	0	0	111.7	V32 V165 N182 A188 M189 R194 L195 F196	V32-Y192 WeakPolarHBondContact CG1-OH 3.34Å; V165-Y192 HydrophobicContact CB-CE2 4.49Å; V165-Y192 HydrophobicContact CG1-CE2 3.77Å; V165-Y192 HydrophobicContact CG2-CD1 4.4Å; V165-Y192 HydrophobicContact CG2-CD2 4.03Å; V165-Y192 HydrophobicContact CG2-CE1 4.35Å; V165-Y192 HydrophobicContact CG2-CE2 3.98Å; V165-Y192 HydrophobicContact CG2-CG 4.25Å; N182-Y192 WeakPolarHBondContact O-CE2 3.4Å; N182-Y192 PolarHBondContact O-OH 3.46Å; A188-Y192 HydrophobicContact CB-CE2 4.17Å; A188-Y192 WeakPolarHBondContact O-CD2 3.32Å; A188-Y192 PolarHBondContact O-N 3.08Å; M189-Y192 PolarHBondContact O-N 3.17Å; M189-Y192 HydrophobicContact SD-CD2 4.2Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 3.38Å; Y192-L195 PolarHBondContact O-N 3.37Å; Y192-F196 WeakPolarHBondContact O-CD2 3.31Å; Y192-F196 PolarHBondContact O-N 3.46Å
193	C	97.4	Very high	96.9	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.027	17%	0.166	C	C	.	.	H	α-helix	trans	-58.6	-42.5	178.6	-69.8	0	0	0	0	111.5	L97 T101 M189 E190 L191 K197	L97-C193 HydrophobicContact CG-CB 4.44Å; T101-C193 HydrophobicContact CG2-CB 3.95Å; T101-C193 WeakPolarHBondContact CG2-O 3.25Å; M189-C193 WeakPolarHBondContact O-CB 3.37Å; M189-C193 PolarHBondContact O-N 2.96Å; M189-C193 PolarHBondContact O-SG 3.37Å; E190-C193 PolarHBondContact O-N 3.43Å; L191-C193 PolarHBondContact O-N 2.85Å; C193-K197 WeakPolarHBondContact O-CB 3.15Å; C193-K197 PolarHBondContact O-N 2.54Å
194	R	97.8	Very high	97	Very high	120 Å²	120	36 Å²	36	45%	0.453	18%	0.177	S	C	.	.	H	α-helix	trans	-63.8	-43.4	176.5	-177.6	179.6	67	86	-4.2	112.3	E190 L191 Y192 T198	E190-R194 VanDerWaalsContact O-CB 3.23Å; E190-R194 WeakPolarHBondContact O-CB 3.31Å; E190-R194 PolarHBondContact O-N 3.46Å; L191-R194 PolarHBondContact O-N 3.39Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 3.38Å; R194-T198 WeakPolarHBondContact O-CB 3.27Å; R194-T198 PolarHBondContact O-N 3.41Å; R194-T198 PolarHBondContact O-OG1 3.13Å
195	L	97.9	Very high	97	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-52.2	-179.9	-69.3	176.1	0	0	0	111.2	L21 F22 L68 L72 L191 Y192 K197 T198 V199	L21-L195 HydrophobicContact CB-CD2 3.92Å; F22-L195 HydrophobicContact CB-CD1 4.35Å; F22-L195 HydrophobicContact CB-CD2 4.11Å; F22-L195 HydrophobicContact CD1-CD1 4.04Å; F22-L195 HydrophobicContact CD1-CD2 4.18Å; F22-L195 HydrophobicContact CG-CD1 4.3Å; L68-L195 HydrophobicContact CD2-CD1 3.91Å; L72-L195 HydrophobicContact CD1-CB 4.31Å; L72-L195 HydrophobicContact CD2-CB 4.19Å; L191-L195 HydrophobicContact CD1-CD1 3.99Å; L191-L195 HydrophobicContact CD1-CG 4.04Å; L191-L195 HydrophobicContact CG-CD1 3.97Å; L191-L195 HydrophobicContact CG-CG 4.39Å; L191-L195 VanDerWaalsContact O-CG 3.31Å; L191-L195 WeakPolarHBondContact O-CG 3.48Å; L191-L195 PolarHBondContact O-N 2.97Å; Y192-L195 PolarHBondContact O-N 3.37Å; L195-K197 VanDerWaalsContact C-N 3.32Å; L195-K197 PolarHBondContact O-N 2.84Å; L195-T198 PolarHBondContact O-N 3.47Å; L195-V199 WeakPolarHBondContact O-CG2 3.17Å; L195-V199 PolarHBondContact O-N 2.92Å
196	F	97.8	Very high	96.9	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-44.3	177.1	-77.3	-65.9	0	0	0	111.7	L72 T75 F87 V137 L139 V163 Y192 T198 V199 I200	L72-F196 HydrophobicContact CD2-CD1 3.64Å; L72-F196 HydrophobicContact CD2-CE1 3.74Å; L72-F196 HydrophobicContact CD2-CG 4.13Å; L72-F196 HydrophobicContact CD2-CZ 4.29Å; T75-F196 HydrophobicContact CG2-CD1 4.09Å; F87-F196 HydrophobicContact CE1-CB 4Å; F87-F196 HydrophobicContact CE1-CD2 4.48Å; F87-F196 HydrophobicContact CE1-CG 4.15Å; F87-F196 HydrophobicContact CZ-CB 4.12Å; V137-F196 HydrophobicContact CG1-CD1 4.42Å; V137-F196 HydrophobicContact CG1-CD2 4.31Å; V137-F196 HydrophobicContact CG1-CE1 3.98Å; V137-F196 HydrophobicContact CG1-CE2 3.89Å; V137-F196 HydrophobicContact CG1-CZ 3.71Å; V137-F196 HydrophobicContact CG2-CE1 4.49Å; L139-F196 HydrophobicContact CD2-CD2 4.17Å; L139-F196 HydrophobicContact CD2-CE2 4.13Å; V163-F196 HydrophobicContact CG1-CE1 4.2Å; V163-F196 HydrophobicContact CG1-CZ 3.86Å; Y192-F196 WeakPolarHBondContact O-CD2 3.31Å; Y192-F196 PolarHBondContact O-N 3.46Å; F196-T198 PolarHBondContact O-N 3.15Å; F196-V199 PolarHBondContact O-N 2.86Å; F196-I200 WeakPolarHBondContact O-CB 3.33Å; F196-I200 WeakPolarHBondContact O-CD1 3.34Å; F196-I200 VanDerWaalsContact O-CG1 3.25Å; F196-I200 WeakPolarHBondContact O-CG1 3.19Å; F196-I200 PolarHBondContact O-N 3.4Å
197	K	97.7	Very high	96.6	Very high	67 Å²	67	39.1 Å²	39.1	29%	0.291	18%	0.182	S	C	.	.	H	α-helix	trans	-58.1	-48.8	176	171.3	-179.6	169.6	-171.6	0	112.5	T101 C105 C193 L195 V199 I200 N201	T101-K197 HydrophobicContact CG2-CB 4.01Å; C105-K197 WeakPolarHBondContact SG-CA 3.39Å; C105-K197 VanDerWaalsContact SG-CB 3.58Å; C193-K197 WeakPolarHBondContact O-CB 3.15Å; C193-K197 PolarHBondContact O-N 2.54Å; L195-K197 VanDerWaalsContact C-N 3.32Å; L195-K197 PolarHBondContact O-N 2.84Å; K197-V199 VanDerWaalsContact C-N 3.31Å; K197-V199 PolarHBondContact O-N 3.25Å; K197-I200 PolarHBondContact O-N 3.48Å; K197-N201 WeakPolarHBondContact O-CB 3.17Å; K197-N201 VanDerWaalsContact O-CG 3.27Å; K197-N201 PolarHBondContact O-N 2.8Å; K197-N201 PolarHBondContact O-ND2 3.26Å
198	T	97.5	Very high	96.4	Very high	44 Å²	44	41.7 Å²	41.7	27%	0.27	19%	0.187	S	C	.	.	H	α-helix	trans	-60.9	-44.4	-179	-57.1	0	0	0	0	110.8	L21 R194 L195 F196 N201 R202	L21-T198 HydrophobicContact CD2-CG2 3.59Å; R194-T198 WeakPolarHBondContact O-CB 3.27Å; R194-T198 PolarHBondContact O-N 3.41Å; R194-T198 PolarHBondContact O-OG1 3.13Å; L195-T198 PolarHBondContact O-N 3.47Å; F196-T198 PolarHBondContact O-N 3.15Å; T198-N201 PolarHBondContact O-N 3.25Å; T198-R202 HydrophobicContact CG2-CG 4.45Å; T198-R202 WeakPolarHBondContact O-CB 3.47Å; T198-R202 VanDerWaalsContact O-CG 3.26Å; T198-R202 WeakPolarHBondContact O-CG 3.27Å; T198-R202 PolarHBondContact O-N 3.06Å
199	V	96.9	Very high	96.2	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-48.3	179.9	170.3	0	0	0	0	112.3	L21 L72 A76 L195 F196 K197 N201 R202 A203	L21-V199 HydrophobicContact CD1-CG2 3.16Å; L72-V199 HydrophobicContact CB-CG2 4.16Å; L72-V199 HydrophobicContact CD1-CG2 4.35Å; L72-V199 HydrophobicContact CD2-CG2 3.99Å; L72-V199 HydrophobicContact CG-CG2 4.39Å; L72-V199 WeakPolarHBondContact O-CG1 3.47Å; A76-V199 HydrophobicContact CB-CG1 3.44Å; A76-V199 VanDerWaalsContact CB-CG1 3.44Å; L195-V199 WeakPolarHBondContact O-CG2 3.17Å; L195-V199 PolarHBondContact O-N 2.92Å; F196-V199 PolarHBondContact O-N 2.86Å; K197-V199 VanDerWaalsContact C-N 3.31Å; K197-V199 PolarHBondContact O-N 3.25Å; V199-N201 VanDerWaalsContact C-N 3.31Å; V199-N201 PolarHBondContact O-N 3.11Å; V199-R202 PolarHBondContact O-N 2.88Å; V199-A203 WeakPolarHBondContact O-CB 3.44Å; V199-A203 PolarHBondContact O-N 2.9Å
200	I	97.4	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-43.8	179.9	-68.7	163.5	0	0	0	110.2	T75 A79 I85 F87 C105 E107 F196 K197 A203 K204	T75-I200 HydrophobicContact CG2-CD1 4.11Å; T75-I200 HydrophobicContact CG2-CG1 3.88Å; A79-I200 HydrophobicContact CB-CG1 4.44Å; A79-I200 HydrophobicContact CB-CG2 4.21Å; I85-I200 HydrophobicContact CD1-CD1 4.1Å; I85-I200 HydrophobicContact CD1-CG1 4.04Å; F87-I200 HydrophobicContact CE2-CD1 4.07Å; F87-I200 HydrophobicContact CZ-CD1 3.61Å; C105-I200 HydrophobicContact CB-CG2 4.07Å; E107-I200 HydrophobicContact CG-CD1 4.28Å; E107-I200 HydrophobicContact CG-CG2 4.08Å; F196-I200 WeakPolarHBondContact O-CB 3.33Å; F196-I200 WeakPolarHBondContact O-CD1 3.34Å; F196-I200 VanDerWaalsContact O-CG1 3.25Å; F196-I200 WeakPolarHBondContact O-CG1 3.19Å; F196-I200 PolarHBondContact O-N 3.4Å; K197-I200 PolarHBondContact O-N 3.48Å; I200-A203 PolarHBondContact O-N 2.65Å; I200-K204 HydrophobicContact CG2-CD 4.09Å; I200-K204 HydrophobicContact CG2-CG 4.48Å; I200-K204 WeakPolarHBondContact O-CB 3.39Å; I200-K204 WeakPolarHBondContact O-CG 3.38Å; I200-K204 PolarHBondContact O-N 3.25Å
201	N	96.9	Very high	95.4	Very high	49 Å²	49	46.3 Å²	46.3	26%	0.262	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-41.2	177.4	-71.9	-21.5	0	0	0	112.2	K197 T198 V199 K204 N205	K197-N201 WeakPolarHBondContact O-CB 3.17Å; K197-N201 VanDerWaalsContact O-CG 3.27Å; K197-N201 PolarHBondContact O-N 2.8Å; K197-N201 PolarHBondContact O-ND2 3.26Å; T198-N201 PolarHBondContact O-N 3.25Å; V199-N201 VanDerWaalsContact C-N 3.31Å; V199-N201 PolarHBondContact O-N 3.11Å; N201-K204 PolarHBondContact O-N 3.15Å; N201-N205 VanDerWaalsContact O-CB 3.29Å; N201-N205 WeakPolarHBondContact O-CB 3.4Å; N201-N205 PolarHBondContact O-N 2.84Å; N201-N205 PolarHBondContact O-ND2 3.11Å
202	R	96.1	Very high	95	Very high	80 Å²	80	51 Å²	51	30%	0.302	23%	0.234	S	C	.	.	H	α-helix	trans	-59.5	-47	173.9	-78.3	174.6	175.1	-153.4	-5.4	111.4	F16 R17 E20 T198 V199 N205 K206	F16-R202 PolarHBondContact O-NH1 2.98Å; R17-R202 PolarHBondContact O-NH1 3.45Å; E20-R202 IonicContact OE1-CZ 3.41Å; E20-R202 IonicContact OE1-NH1 2.9Å; E20-R202 PolarHBondContact OE1-NH1 3.45Å; E20-R202 IonicContact OE1-NH2 3.8Å; E20-R202 PolarHBondContact OE1-NH2 2.89Å; T198-R202 HydrophobicContact CG2-CG 4.45Å; T198-R202 WeakPolarHBondContact O-CB 3.47Å; T198-R202 VanDerWaalsContact O-CG 3.26Å; T198-R202 WeakPolarHBondContact O-CG 3.27Å; T198-R202 PolarHBondContact O-N 3.06Å; V199-R202 PolarHBondContact O-N 2.88Å; R202-N205 PolarHBondContact O-N 2.94Å; R202-K206 VanDerWaalsContact O-CB 3.31Å; R202-K206 WeakPolarHBondContact O-CB 3.4Å; R202-K206 PolarHBondContact O-N 3.44Å
203	A	95.4	Very high	94.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-47	179	0	0	0	0	0	112.2	F16 A76 A79 V199 I200 N205 K206 R207	F16-A203 HydrophobicContact CD1-CB 4.2Å; F16-A203 HydrophobicContact CE1-CB 4.1Å; A76-A203 HydrophobicContact CB-CB 4.3Å; A76-A203 VanDerWaalsContact O-CB 3.26Å; A76-A203 WeakPolarHBondContact O-CB 3.24Å; A79-A203 HydrophobicContact CB-CB 3.79Å; V199-A203 WeakPolarHBondContact O-CB 3.44Å; V199-A203 PolarHBondContact O-N 2.9Å; I200-A203 PolarHBondContact O-N 2.65Å; A203-N205 PolarHBondContact O-N 2.87Å; A203-K206 PolarHBondContact O-N 2.8Å; A203-R207 PolarHBondContact O-N 2.87Å
204	K	95.5	Very high	94	Very high	52 Å²	52	59.9 Å²	59.9	23%	0.226	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-41.9	176.4	-72.8	-177.6	178.6	-175.3	0	112.3	C105 G106 E107 I200 N201 R207 K208	C105-K204 PolarHBondContact O-NZ 2.65Å; G106-K204 PolarHBondContact O-NZ 3.29Å; G106-K204 VanDerWaalsContact O-NZ 3.17Å; E107-K204 WeakPolarHBondContact OE1-CE 3.39Å; E107-K204 IonicContact OE1-NZ 3.73Å; E107-K204 PolarHBondContact OE1-NZ 2.88Å; I200-K204 HydrophobicContact CG2-CD 4.09Å; I200-K204 HydrophobicContact CG2-CG 4.48Å; I200-K204 WeakPolarHBondContact O-CB 3.39Å; I200-K204 WeakPolarHBondContact O-CG 3.38Å; I200-K204 PolarHBondContact O-N 3.25Å; N201-K204 PolarHBondContact O-N 3.15Å; K204-R207 PolarHBondContact O-N 2.87Å; K204-K208 WeakPolarHBondContact O-CG 3.4Å; K204-K208 PolarHBondContact O-N 2.99Å; K204-K208 VanDerWaalsContact O-N 3.1Å
205	N	95.4	Very high	93.4	Very high	89 Å²	89	57.4 Å²	57.4	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-41.4	176.7	-71.6	-17.1	0	0	0	111.6	N201 R202 A203 R207 K208 Q209	N201-N205 VanDerWaalsContact O-CB 3.29Å; N201-N205 WeakPolarHBondContact O-CB 3.4Å; N201-N205 PolarHBondContact O-N 2.84Å; N201-N205 PolarHBondContact O-ND2 3.11Å; R202-N205 PolarHBondContact O-N 2.94Å; A203-N205 PolarHBondContact O-N 2.87Å; N205-R207 VanDerWaalsContact C-N 3.32Å; N205-R207 PolarHBondContact O-N 2.87Å; N205-K208 PolarHBondContact O-N 2.8Å; N205-Q209 WeakPolarHBondContact O-CG 3.29Å; N205-Q209 PolarHBondContact O-N 3.4Å
206	K	93.1	Very high	92.8	Very high	72 Å²	72	64.2 Å²	64.2	31%	0.313	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-40.8	176.8	-170.1	65.5	171.4	-176.9	0	111.7	F16 Y80 R202 A203 Q209 M210	F16-K206 HydrophobicContact CE1-CB 4.48Å; F16-K206 HydrophobicContact CE1-CG 4.47Å; Y80-K206 HydrophobicContact CE2-CG 4.44Å; R202-K206 VanDerWaalsContact O-CB 3.31Å; R202-K206 WeakPolarHBondContact O-CB 3.4Å; R202-K206 PolarHBondContact O-N 3.44Å; A203-K206 PolarHBondContact O-N 2.8Å; K206-Q209 PolarHBondContact O-N 3.17Å; K206-M210 HydrophobicContact CG-CE 4.31Å; K206-M210 PolarHBondContact O-N 2.87Å
207	R	91.9	Very high	91.8	Very high	49 Å²	49	68 Å²	68	19%	0.185	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-52.7	173.9	-173.3	-165.4	173.1	131.1	-10.3	111.2	M5 Y80 G81 A203 K204 N205 Q209 M210 E211	M5-R207 HydrophobicContact CE-CG 3.98Å; Y80-R207 HydrophobicContact CD2-CB 3.75Å; Y80-R207 HydrophobicContact CD2-CG 4.4Å; Y80-R207 HydrophobicContact CE2-CB 3.9Å; Y80-R207 HydrophobicContact CE2-CG 4.36Å; Y80-R207 VanDerWaalsContact O-CD 3.25Å; Y80-R207 WeakPolarHBondContact O-CD 3.46Å; Y80-R207 PolarHBondContact O-NH1 2.87Å; G81-R207 PolarHBondContact O-NH1 3.42Å; A203-R207 PolarHBondContact O-N 2.87Å; K204-R207 PolarHBondContact O-N 2.87Å; N205-R207 VanDerWaalsContact C-N 3.32Å; N205-R207 PolarHBondContact O-N 2.87Å; R207-Q209 VanDerWaalsContact C-N 3.29Å; R207-Q209 PolarHBondContact O-N 2.89Å; R207-M210 PolarHBondContact O-N 3.31Å; R207-M210 VanDerWaalsContact O-N 3.07Å; R207-E211 HydrophobicContact CG-CG 4.46Å; R207-E211 IonicContact CZ-OE1 2.58Å; R207-E211 IonicContact NE-OE1 2.65Å; R207-E211 PolarHBondContact NE-OE1 3.33Å; R207-E211 IonicContact NH2-OE1 3.69Å; R207-E211 WeakPolarHBondContact O-CG 3.31Å; R207-E211 PolarHBondContact O-N 2.8Å
208	K	92.7	Very high	90.7	Very high	123 Å²	123	70.4 Å²	70.4	54%	0.535	35%	0.354	S	S	.	.	H	α-helix	trans	-56.2	-42.8	177.2	-70.3	175.5	-178.7	-179.5	0	112.2	K204 N205 E211 L212	K204-K208 WeakPolarHBondContact O-CG 3.4Å; K204-K208 PolarHBondContact O-N 2.99Å; K204-K208 VanDerWaalsContact O-N 3.1Å; N205-K208 PolarHBondContact O-N 2.8Å; K208-E211 PolarHBondContact O-N 2.72Å; K208-L212 WeakPolarHBondContact O-CB 3.17Å; K208-L212 VanDerWaalsContact O-CG 3.25Å; K208-L212 WeakPolarHBondContact O-CG 3.32Å; K208-L212 PolarHBondContact O-N 3.44Å
209	Q	92.2	Very high	89	Confident	109 Å²	109	73.9 Å²	73.9	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-44.2	176	-73.8	175.5	-17	0	0	112.1	N205 K206 R207 L212 L213	N205-Q209 WeakPolarHBondContact O-CG 3.29Å; N205-Q209 PolarHBondContact O-N 3.4Å; K206-Q209 PolarHBondContact O-N 3.17Å; R207-Q209 VanDerWaalsContact C-N 3.29Å; R207-Q209 PolarHBondContact O-N 2.89Å; Q209-L212 PolarHBondContact O-N 2.92Å; Q209-L213 WeakPolarHBondContact O-CB 3.5Å; Q209-L213 VanDerWaalsContact O-CG 3.27Å; Q209-L213 WeakPolarHBondContact O-CG 3.23Å; Q209-L213 PolarHBondContact O-N 3.21Å
210	M	88.5	Confident	87.2	Confident	27 Å²	27	79.2 Å²	79.2	13%	0.133	41%	0.414	C	S	.	.	H	α-helix	trans	-67.4	-39.6	177.5	-72.1	-145.1	-141.2	0	0	112.6	M5 L8 L15 Y80 K206 R207 L212 L213 H214	M5-M210 HydrophobicContact CE-CB 3.97Å; M5-M210 HydrophobicContact CG-CB 4.48Å; L8-M210 HydrophobicContact CD2-CE 3.84Å; L8-M210 HydrophobicContact CD2-SD 3.71Å; L15-M210 HydrophobicContact CD2-CE 4.08Å; Y80-M210 HydrophobicContact CE2-CE 3.91Å; Y80-M210 HydrophobicContact CE2-SD 4.49Å; Y80-M210 VanDerWaalsContact OH-CE 3.32Å; Y80-M210 WeakPolarHBondContact OH-CE 3.32Å; Y80-M210 PolarHBondContact OH-SD 3.04Å; K206-M210 HydrophobicContact CG-CE 4.31Å; K206-M210 PolarHBondContact O-N 2.87Å; R207-M210 PolarHBondContact O-N 3.31Å; R207-M210 VanDerWaalsContact O-N 3.07Å; M210-L212 VanDerWaalsContact C-N 3.33Å; M210-L212 PolarHBondContact O-N 3.2Å; M210-L213 PolarHBondContact O-N 2.97Å; M210-H214 WeakPolarHBondContact O-CB 3.19Å; M210-H214 PolarHBondContact O-N 3.03Å
211	E	89.3	Confident	85	Confident	73 Å²	73	87.9 Å²	87.9	34%	0.341	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-43.8	175.1	-69.3	170.8	168	0	0	111	M5 R207 K208 H214 S215	M5-E211 HydrophobicContact CE-CG 3.46Å; M5-E211 VanDerWaalsContact CE-CG 3.46Å; M5-E211 HydrophobicContact SD-CG 4.19Å; R207-E211 HydrophobicContact CG-CG 4.46Å; R207-E211 IonicContact CZ-OE1 2.58Å; R207-E211 IonicContact NE-OE1 2.65Å; R207-E211 PolarHBondContact NE-OE1 3.33Å; R207-E211 IonicContact NH2-OE1 3.69Å; R207-E211 WeakPolarHBondContact O-CG 3.31Å; R207-E211 PolarHBondContact O-N 2.8Å; K208-E211 PolarHBondContact O-N 2.72Å; E211-H214 PolarHBondContact O-N 3.07Å; E211-S215 PolarHBondContact O-N 3.03Å; E211-S215 PolarHBondContact O-OG 3.03Å
212	L	90.3	Very high	83	Confident	110 Å²	110	90.9 Å²	90.9	58%	0.576	48%	0.477	S	S	*	.	H	α-helix	trans	-63.4	-48.2	175.8	-71.1	167.8	0	0	0	112	K208 Q209 M210 H214 S215 L216	K208-L212 WeakPolarHBondContact O-CB 3.17Å; K208-L212 VanDerWaalsContact O-CG 3.25Å; K208-L212 WeakPolarHBondContact O-CG 3.32Å; K208-L212 PolarHBondContact O-N 3.44Å; Q209-L212 PolarHBondContact O-N 2.92Å; M210-L212 VanDerWaalsContact C-N 3.33Å; M210-L212 PolarHBondContact O-N 3.2Å; L212-H214 VanDerWaalsContact C-N 3.27Å; L212-H214 PolarHBondContact O-N 3.21Å; L212-S215 PolarHBondContact O-N 3.28Å; L212-S215 PolarHBondContact O-OG 3.37Å; L212-L216 WeakPolarHBondContact O-CG 3.46Å; L212-L216 PolarHBondContact O-N 3.43Å
213	L	88.3	Confident	81	Confident	118 Å²	118	93 Å²	93	62%	0.618	50%	0.504	S	S	*	.	H	α-helix	trans	-59.4	-39.6	177.3	-73.1	168.8	0	0	0	111.9	Q209 M210 L216 S217	Q209-L213 WeakPolarHBondContact O-CB 3.5Å; Q209-L213 VanDerWaalsContact O-CG 3.27Å; Q209-L213 WeakPolarHBondContact O-CG 3.23Å; Q209-L213 PolarHBondContact O-N 3.21Å; M210-L213 PolarHBondContact O-N 2.97Å; L213-L216 PolarHBondContact O-N 2.83Å; L213-S217 PolarHBondContact O-N 3.05Å; L213-S217 VanDerWaalsContact O-N 3.17Å
214	H	85.3	Confident	78.6	Confident	71 Å²	71	101.9 Å²	101.9	33%	0.329	57%	0.566	S	S	.	*	H	α-helix	trans	-65.3	-46.8	176.6	-175.2	38.4	0	0	0	111.4	M210 E211 L212 L216 S217 E218	M210-H214 WeakPolarHBondContact O-CB 3.19Å; M210-H214 PolarHBondContact O-N 3.03Å; E211-H214 PolarHBondContact O-N 3.07Å; L212-H214 VanDerWaalsContact C-N 3.27Å; L212-H214 PolarHBondContact O-N 3.21Å; H214-L216 PolarHBondContact O-N 3.4Å; H214-S217 WeakPolarHBondContact CA-OG 3.47Å; H214-S217 PolarHBondContact O-N 3.24Å; H214-S217 PolarHBondContact O-OG 3.28Å; H214-E218 IonicContact CE1-OE1 2.81Å; H214-E218 IonicContact NE2-OE1 3.46Å; H214-E218 PolarHBondContact O-N 2.82Å
215	S	85.2	Confident	77.8	Confident	68 Å²	68	104.4 Å²	104.4	48%	0.476	58%	0.583	S	S	.	*	H	α-helix	trans	-61	-30.4	177.4	68.1	0	0	0	0	113.7	E211 L212	E211-S215 PolarHBondContact O-N 3.03Å; E211-S215 PolarHBondContact O-OG 3.03Å; L212-S215 PolarHBondContact O-N 3.28Å; L212-S215 PolarHBondContact O-OG 3.37Å
216	L	85	Confident	76.8	Confident	144 Å²	144	105.2 Å²	105.2	75%	0.754	59%	0.589	S	S	*	*	H	α-helix	trans	-77.4	-23.4	174.9	-70.8	165.7	0	0	0	113.2	L212 L213 H214	L212-L216 WeakPolarHBondContact O-CG 3.46Å; L212-L216 PolarHBondContact O-N 3.43Å; L213-L216 PolarHBondContact O-N 2.83Å; H214-L216 PolarHBondContact O-N 3.4Å
217	S	78.4	Confident	75.9	Confident	82 Å²	82	107 Å²	107	57%	0.573	60%	0.604	S	S	*	*	H	α-helix	trans	-85.5	-18.5	-179.7	69.3	0	0	0	0	113.6	L213 H214 P219	L213-S217 PolarHBondContact O-N 3.05Å; L213-S217 VanDerWaalsContact O-N 3.17Å; H214-S217 WeakPolarHBondContact CA-OG 3.47Å; H214-S217 PolarHBondContact O-N 3.24Å; H214-S217 PolarHBondContact O-OG 3.28Å; S217-P219 WeakPolarHBondContact O-CD 3.43Å
218	E	74.4	Confident	75	Confident	118 Å²	118	110.4 Å²	110.4	55%	0.551	63%	0.629	S	S	*	*	S	Bend	trans	-74.4	119.4	172.7	-70.4	-175	166.7	0	0	108.8	H214 S220	H214-E218 IonicContact CE1-OE1 2.81Å; H214-E218 IonicContact NE2-OE1 3.46Å; H214-E218 PolarHBondContact O-N 2.82Å; E218-S220 PolarHBondContact O-N 3.16Å
219	P	60.9	Low	73.9	Confident	117 Å²	117	109.6 Å²	109.6	76%	0.76	64%	0.635	S	S	*	*			trans	-62.4	132.7	175.9	24.7	-30.3	0	0	0	108.6	S217 E221	S217-P219 WeakPolarHBondContact O-CD 3.43Å; P219-E221 PolarHBondContact O-N 2.98Å
220	S	58.2	Low	72.7	Confident	112 Å²	112	109.7 Å²	109.7	78%	0.783	64%	0.643	S	S	*	*			trans	-53.5	112.5	169	53.5	0	0	0	0	108.1	E218	E218-S220 PolarHBondContact O-N 3.16Å
221	E	52.8	Low	71.5	Confident	182 Å²	182	115.6 Å²	115.6	85%	0.85	68%	0.679	S	S	*	*			trans	-52.1	126.7	169.8	-74.6	-173.3	157.9	0	0	107.6	P219 S223	P219-E221 PolarHBondContact O-N 2.98Å; E221-S223 PolarHBondContact O-N 3.28Å
222	P	54.2	Low	70.2	Confident	113 Å²	113	118.8 Å²	118.8	73%	0.734	71%	0.706	S	S	*	*			trans	-62	113.3	175.7	24	-30	0	0	0	107.3	S224	P222-S224 PolarHBondContact O-N 3.08Å; P222-S224 PolarHBondContact O-OG 2.92Å
223	S	53.9	Low	68.5	Low	123 Å²	123	119.6 Å²	119.6	86%	0.86	72%	0.716	S	S	*	*			trans	-51.2	107.9	172.7	52.9	0	0	0	0	108.4	E221	E221-S223 PolarHBondContact O-N 3.28Å
224	S	45.2	Very low	66.7	Low	187 Å²	187	119.7 Å²	119.7	100%	1.308	73%	0.725	S	S	*	*			trans	-81.1	0	176.1	-52.5	0	0	0	0	110.5	P222	P222-S224 PolarHBondContact O-N 3.08Å; P222-S224 PolarHBondContact O-OG 2.92Å

Retrieved 224 of 224 residues in 123.8 ms (Link to these results)

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