G4VFP2_SCHMA Loading...

peptidyl-tRNA hydrolase

AlphaFold DB , UniProt , Accession G4VFP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.5	Low	70.4	Confident	203 Å²	203	112.5 Å²	112.5	100%	1	63%	0.626	S	S	*	*				0	-43.6	0	-133	175.8	-62.1	0	0	111.2	L3 A4 I5	M1-L3 PolarHBondContact O-N 3.35Å; M1-A4 PolarHBondContact O-N 3.35Å; M1-I5 PolarHBondContact O-N 3.2Å
2	E	72.6	Confident	70.7	Confident	171 Å²	171	106.4 Å²	106.4	80%	0.799	61%	0.608	S	S	*	*	H	α-helix	trans	-58.4	-41.4	-178.7	-62.3	-169.4	154.5	0	0	114.9	A4 I5 L6	E2-A4 VanDerWaalsContact C-N 3.33Å; E2-A4 PolarHBondContact O-N 3.32Å; E2-I5 PolarHBondContact O-N 3.1Å; E2-L6 PolarHBondContact O-N 3.37Å
3	L	71.4	Confident	71.5	Confident	143 Å²	143	101.6 Å²	101.6	75%	0.749	60%	0.596	S	S	*	*	H	α-helix	trans	-64.9	-33.7	-178.4	-145.5	82	0	0	0	113.4	M1 T7	M1-L3 PolarHBondContact O-N 3.35Å; L3-T7 WeakPolarHBondContact O-CG2 3.43Å; L3-T7 PolarHBondContact O-N 3.04Å; L3-T7 VanDerWaalsContact O-N 3.16Å; L3-T7 PolarHBondContact O-OG1 3.37Å
4	A	71.5	Confident	72.2	Confident	67 Å²	67	102.1 Å²	102.1	55%	0.554	59%	0.593	S	S	*	*	H	α-helix	trans	-76.2	-34.2	179.9	0	0	0	0	0	112.4	M1 E2 T7 S8	M1-A4 PolarHBondContact O-N 3.35Å; E2-A4 VanDerWaalsContact C-N 3.33Å; E2-A4 PolarHBondContact O-N 3.32Å; A4-T7 PolarHBondContact O-OG1 3.03Å; A4-T7 VanDerWaalsContact O-OG1 3.1Å; A4-S8 PolarHBondContact O-N 3.11Å
5	I	70.7	Confident	72.8	Confident	101 Å²	101	98.3 Å²	98.3	52%	0.518	58%	0.584	S	S	.	*	H	α-helix	trans	-68	-40.5	173.5	-63	170.5	0	0	0	109.5	M1 E2 S8 V9	M1-I5 PolarHBondContact O-N 3.2Å; E2-I5 PolarHBondContact O-N 3.1Å; I5-S8 PolarHBondContact O-N 3Å; I5-S8 PolarHBondContact O-OG 3.36Å; I5-S8 VanDerWaalsContact O-OG 3.11Å; I5-V9 HydrophobicContact CG2-CG2 4.29Å; I5-V9 VanDerWaalsContact O-CG2 3.26Å; I5-V9 WeakPolarHBondContact O-CG2 3.48Å; I5-V9 PolarHBondContact O-N 3.07Å
6	L	67.1	Low	73.7	Confident	106 Å²	106	98.9 Å²	98.9	56%	0.555	59%	0.589	S	S	*	*	H	α-helix	trans	-63.8	-43.6	178.5	-170.6	64.4	0	0	0	112	E2 S8 V9 M10	E2-L6 PolarHBondContact O-N 3.37Å; L6-S8 PolarHBondContact O-N 2.99Å; L6-V9 PolarHBondContact O-N 3.48Å; L6-M10 WeakPolarHBondContact O-CB 3.26Å; L6-M10 WeakPolarHBondContact O-CG 3.18Å; L6-M10 PolarHBondContact O-N 3.01Å
7	T	69.5	Low	74.4	Confident	93 Å²	93	100.5 Å²	100.5	57%	0.571	59%	0.587	S	S	*	*	H	α-helix	trans	-67.5	-34.2	178.1	54.6	0	0	0	0	113	L3 A4 S11	L3-T7 WeakPolarHBondContact O-CG2 3.43Å; L3-T7 PolarHBondContact O-N 3.04Å; L3-T7 VanDerWaalsContact O-N 3.16Å; L3-T7 PolarHBondContact O-OG1 3.37Å; A4-T7 PolarHBondContact O-OG1 3.03Å; A4-T7 VanDerWaalsContact O-OG1 3.1Å; T7-S11 WeakPolarHBondContact O-CB 3.46Å; T7-S11 PolarHBondContact O-N 3.01Å; T7-S11 PolarHBondContact O-OG 3.46Å
8	S	68	Low	75	Confident	68 Å²	68	99.2 Å²	99.2	48%	0.476	58%	0.58	S	S	.	*	H	α-helix	trans	-72.5	-37.5	176.5	77.6	0	0	0	0	113	A4 I5 L6 M10 S11 G12	A4-S8 PolarHBondContact O-N 3.11Å; I5-S8 PolarHBondContact O-N 3Å; I5-S8 PolarHBondContact O-OG 3.36Å; I5-S8 VanDerWaalsContact O-OG 3.11Å; L6-S8 PolarHBondContact O-N 2.99Å; S8-M10 VanDerWaalsContact C-N 3.35Å; S8-S11 PolarHBondContact O-OG 3.16Å; S8-S11 VanDerWaalsContact O-OG 3.07Å; S8-G12 PolarHBondContact O-N 3.29Å
9	V	72.3	Confident	75.5	Confident	93 Å²	93	95.9 Å²	95.9	56%	0.564	57%	0.57	S	S	*	*	H	α-helix	trans	-66.4	-41	175.8	172.6	0	0	0	0	110.2	I5 L6 G13	I5-V9 HydrophobicContact CG2-CG2 4.29Å; I5-V9 VanDerWaalsContact O-CG2 3.26Å; I5-V9 WeakPolarHBondContact O-CG2 3.48Å; I5-V9 PolarHBondContact O-N 3.07Å; L6-V9 PolarHBondContact O-N 3.48Å; V9-G13 PolarHBondContact O-N 3.38Å
10	M	72.6	Confident	76	Confident	118 Å²	118	98.2 Å²	98.2	58%	0.581	57%	0.568	S	S	*	*	H	α-helix	trans	-66.8	-41	176.8	-66.5	-60.3	-73.5	0	0	112.4	L6 S8 I14	L6-M10 WeakPolarHBondContact O-CB 3.26Å; L6-M10 WeakPolarHBondContact O-CG 3.18Å; L6-M10 PolarHBondContact O-N 3.01Å; S8-M10 VanDerWaalsContact C-N 3.35Å; M10-I14 WeakPolarHBondContact O-CD1 3.34Å; M10-I14 VanDerWaalsContact O-CG1 3.29Å; M10-I14 WeakPolarHBondContact O-CG1 3.47Å; M10-I14 PolarHBondContact O-N 3.26Å; M10-I14 VanDerWaalsContact O-N 3.15Å
11	S	73.2	Confident	76.4	Confident	74 Å²	74	95.7 Å²	95.7	52%	0.517	56%	0.556	S	S	.	*	H	α-helix	trans	-69	-40	177.6	65.9	0	0	0	0	112.7	T7 S8 I14 G15	T7-S11 WeakPolarHBondContact O-CB 3.46Å; T7-S11 PolarHBondContact O-N 3.01Å; T7-S11 PolarHBondContact O-OG 3.46Å; S8-S11 PolarHBondContact O-OG 3.16Å; S8-S11 VanDerWaalsContact O-OG 3.07Å; S11-I14 PolarHBondContact O-N 2.87Å; S11-G15 PolarHBondContact O-N 3.33Å
12	G	74.1	Confident	77.1	Confident	40 Å²	40	89.9 Å²	89.9	41%	0.412	53%	0.532	S	S	.	.	H	α-helix	trans	-61.8	-44	174.1	0	0	0	0	0	112.6	S8 G15 V16	S8-G12 PolarHBondContact O-N 3.29Å; G12-G15 PolarHBondContact O-N 3.05Å; G12-V16 WeakPolarHBondContact O-CG2 3.4Å; G12-V16 PolarHBondContact O-N 3.03Å
13	G	80.8	Confident	77.6	Confident	44 Å²	44	89.1 Å²	89.1	45%	0.454	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-43.9	177.4	0	0	0	0	0	113.2	V9 V16 F17	V9-G13 PolarHBondContact O-N 3.38Å; G13-V16 PolarHBondContact O-N 3.42Å; G13-F17 WeakPolarHBondContact O-CB 3.42Å; G13-F17 PolarHBondContact O-N 2.87Å
14	I	81.3	Confident	78	Confident	108 Å²	108	89.7 Å²	89.7	55%	0.554	52%	0.518	S	S	*	.	H	α-helix	trans	-63.4	-44.6	176.1	-65.9	164.3	0	0	0	110.6	M10 S11 V16 F17 V18	M10-I14 WeakPolarHBondContact O-CD1 3.34Å; M10-I14 VanDerWaalsContact O-CG1 3.29Å; M10-I14 WeakPolarHBondContact O-CG1 3.47Å; M10-I14 PolarHBondContact O-N 3.26Å; M10-I14 VanDerWaalsContact O-N 3.15Å; S11-I14 PolarHBondContact O-N 2.87Å; I14-V16 PolarHBondContact O-N 3.5Å; I14-F17 PolarHBondContact O-N 2.86Å; I14-V18 HydrophobicContact CG2-CG2 4.08Å; I14-V18 WeakPolarHBondContact O-CB 3.29Å; I14-V18 VanDerWaalsContact O-CG2 3.27Å; I14-V18 WeakPolarHBondContact O-CG2 3.47Å; I14-V18 PolarHBondContact O-N 3.15Å
15	G	82	Confident	78.1	Confident	45 Å²	45	94 Å²	94	46%	0.464	53%	0.525	S	S	.	.	H	α-helix	trans	-60	-44	179	0	0	0	0	0	113.2	S11 G12 G19	S11-G15 PolarHBondContact O-N 3.33Å; G12-G15 PolarHBondContact O-N 3.05Å; G15-G19 PolarHBondContact O-N 3.47Å
16	V	86	Confident	78.2	Confident	108 Å²	108	94.6 Å²	94.6	66%	0.655	53%	0.528	S	S	*	.	H	α-helix	trans	-65.4	-43.8	175.8	173.9	0	0	0	0	111.2	G12 G13 I14 G19 W20	G12-V16 WeakPolarHBondContact O-CG2 3.4Å; G12-V16 PolarHBondContact O-N 3.03Å; G13-V16 PolarHBondContact O-N 3.42Å; I14-V16 PolarHBondContact O-N 3.5Å; V16-G19 PolarHBondContact O-N 3.06Å; V16-W20 WeakPolarHBondContact O-CB 3.27Å; V16-W20 PolarHBondContact O-N 3.46Å
17	F	85.7	Confident	78.5	Confident	127 Å²	127	90.8 Å²	90.8	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-45.8	179.5	-176.3	-100.8	0	0	0	112.2	G13 I14 W20 C21	G13-F17 WeakPolarHBondContact O-CB 3.42Å; G13-F17 PolarHBondContact O-N 2.87Å; I14-F17 PolarHBondContact O-N 2.86Å; F17-W20 HydrophobicContact CD2-CE3 4.49Å; F17-W20 HydrophobicContact CE2-CE3 4.47Å; F17-W20 HydrophobicContact CE2-CZ3 4.49Å; F17-W20 PolarHBondContact O-N 3.18Å; F17-C21 WeakPolarHBondContact O-CB 3.44Å; F17-C21 PolarHBondContact O-N 2.94Å; F17-C21 PolarHBondContact O-SG 3.39Å
18	V	86.4	Confident	78.8	Confident	76 Å²	76	89.8 Å²	89.8	46%	0.461	51%	0.512	S	S	.	.	H	α-helix	trans	-62.2	-47.4	175.3	172.6	0	0	0	0	110.3	I14 W20 C21 V22	I14-V18 HydrophobicContact CG2-CG2 4.08Å; I14-V18 WeakPolarHBondContact O-CB 3.29Å; I14-V18 VanDerWaalsContact O-CG2 3.27Å; I14-V18 WeakPolarHBondContact O-CG2 3.47Å; I14-V18 PolarHBondContact O-N 3.15Å; V18-W20 VanDerWaalsContact C-N 3.33Å; V18-W20 PolarHBondContact O-N 2.94Å; V18-C21 PolarHBondContact O-N 3.38Å; V18-V22 HydrophobicContact CG1-CG2 4.29Å; V18-V22 VanDerWaalsContact O-CG2 3.31Å; V18-V22 WeakPolarHBondContact O-CG2 3.46Å; V18-V22 PolarHBondContact O-N 3.42Å
19	G	84.4	Confident	79	Confident	38 Å²	38	90 Å²	90	39%	0.392	51%	0.513	S	S	.	.	H	α-helix	trans	-57.5	-43.4	176.9	0	0	0	0	0	112.8	G15 V16 V22 F23	G15-G19 PolarHBondContact O-N 3.47Å; V16-G19 PolarHBondContact O-N 3.06Å; G19-V22 PolarHBondContact O-N 2.87Å; G19-F23 VanDerWaalsContact O-CB 3.29Å; G19-F23 WeakPolarHBondContact O-CB 3.29Å; G19-F23 PolarHBondContact O-N 3.21Å
20	W	84.6	Confident	79.2	Confident	140 Å²	140	89.9 Å²	89.9	53%	0.53	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-42.5	175.8	-176.7	61.1	0	0	0	112.6	V16 F17 V18 F23 R24	V16-W20 WeakPolarHBondContact O-CB 3.27Å; V16-W20 PolarHBondContact O-N 3.46Å; F17-W20 HydrophobicContact CD2-CE3 4.49Å; F17-W20 HydrophobicContact CE2-CE3 4.47Å; F17-W20 HydrophobicContact CE2-CZ3 4.49Å; F17-W20 PolarHBondContact O-N 3.18Å; V18-W20 VanDerWaalsContact C-N 3.33Å; V18-W20 PolarHBondContact O-N 2.94Å; W20-F23 PolarHBondContact O-N 3.39Å; W20-R24 WeakPolarHBondContact O-CB 3.35Å; W20-R24 WeakPolarHBondContact O-CG 3.26Å; W20-R24 PolarHBondContact O-N 2.87Å
21	C	83.9	Confident	79.5	Confident	46 Å²	46	89 Å²	89	31%	0.311	51%	0.51	S	S	.	.	H	α-helix	trans	-62.3	-44.2	176	-70.8	0	0	0	0	111.9	F17 V18 K25	F17-C21 WeakPolarHBondContact O-CB 3.44Å; F17-C21 PolarHBondContact O-N 2.94Å; F17-C21 PolarHBondContact O-SG 3.39Å; V18-C21 PolarHBondContact O-N 3.38Å; C21-K25 PolarHBondContact O-N 3.3Å; C21-K25 VanDerWaalsContact O-N 3.14Å
22	V	81.6	Confident	79.8	Confident	82 Å²	82	87.3 Å²	87.3	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-48.8	176.5	172.7	0	0	0	0	110.2	V18 G19 R24 K25 L26	V18-V22 HydrophobicContact CG1-CG2 4.29Å; V18-V22 VanDerWaalsContact O-CG2 3.31Å; V18-V22 WeakPolarHBondContact O-CG2 3.46Å; V18-V22 PolarHBondContact O-N 3.42Å; G19-V22 PolarHBondContact O-N 2.87Å; V22-R24 VanDerWaalsContact C-N 3.34Å; V22-R24 PolarHBondContact O-N 3.27Å; V22-K25 PolarHBondContact O-N 3.45Å; V22-L26 WeakPolarHBondContact O-CB 3.31Å; V22-L26 PolarHBondContact O-N 2.88Å
23	F	82.1	Confident	80.1	Confident	155 Å²	155	87.9 Å²	87.9	68%	0.68	50%	0.496	S	S	*	.	H	α-helix	trans	-59.6	-42.3	179.9	-175.6	-97.3	0	0	0	112.3	G19 W20 L26 G27	G19-F23 VanDerWaalsContact O-CB 3.29Å; G19-F23 WeakPolarHBondContact O-CB 3.29Å; G19-F23 PolarHBondContact O-N 3.21Å; W20-F23 PolarHBondContact O-N 3.39Å; F23-L26 PolarHBondContact O-N 2.85Å; F23-G27 PolarHBondContact O-N 3.49Å
24	R	80.9	Confident	80.1	Confident	154 Å²	154	88.7 Å²	88.7	58%	0.581	50%	0.495	S	S	*	.	H	α-helix	trans	-63	-47	176.5	-76.7	-175.3	74	160.9	4.1	112.3	W20 V22 G27 S28	W20-R24 WeakPolarHBondContact O-CB 3.35Å; W20-R24 WeakPolarHBondContact O-CG 3.26Å; W20-R24 PolarHBondContact O-N 2.87Å; V22-R24 VanDerWaalsContact C-N 3.34Å; V22-R24 PolarHBondContact O-N 3.27Å; R24-G27 PolarHBondContact O-N 3.27Å; R24-S28 PolarHBondContact O-N 3.36Å; R24-S28 PolarHBondContact O-OG 3.49Å
25	K	72.8	Confident	80	Confident	159 Å²	159	86.8 Å²	86.8	69%	0.691	48%	0.482	S	S	*	.	H	α-helix	trans	-62.9	-45.9	178	-77.8	-171.4	175.3	-172.8	0	111.5	C21 V22 G27 S28 S29	C21-K25 PolarHBondContact O-N 3.3Å; C21-K25 VanDerWaalsContact O-N 3.14Å; V22-K25 PolarHBondContact O-N 3.45Å; K25-G27 VanDerWaalsContact C-N 3.34Å; K25-G27 PolarHBondContact O-N 3.33Å; K25-S28 PolarHBondContact O-N 3.02Å; K25-S28 PolarHBondContact O-OG 2.9Å; K25-S29 PolarHBondContact O-N 2.77Å; K25-S29 PolarHBondContact O-OG 3.04Å
26	L	72.3	Confident	79.9	Confident	112 Å²	112	85.9 Å²	85.9	59%	0.586	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-42.3	179.6	-145.1	73.9	0	0	0	111.1	V22 F23 S28 S29 V30	V22-L26 WeakPolarHBondContact O-CB 3.31Å; V22-L26 PolarHBondContact O-N 2.88Å; F23-L26 PolarHBondContact O-N 2.85Å; L26-S28 PolarHBondContact O-N 2.98Å; L26-S29 PolarHBondContact O-N 3.3Å; L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 2.9Å
27	G	74.4	Confident	79.5	Confident	27 Å²	27	85.9 Å²	85.9	28%	0.278	47%	0.467	S	S	.	.	H	α-helix	trans	-59.4	-45.2	175.5	0	0	0	0	0	112.9	F23 R24 K25 S29 V30 N31	F23-G27 PolarHBondContact O-N 3.49Å; R24-G27 PolarHBondContact O-N 3.27Å; K25-G27 VanDerWaalsContact C-N 3.34Å; K25-G27 PolarHBondContact O-N 3.33Å; G27-S29 PolarHBondContact O-N 3.48Å; G27-V30 PolarHBondContact O-N 3.44Å; G27-N31 WeakPolarHBondContact O-CB 3.41Å; G27-N31 VanDerWaalsContact O-CG 3.23Å; G27-N31 PolarHBondContact O-N 3.03Å; G27-N31 PolarHBondContact O-ND2 3Å
28	S	74.6	Confident	79.1	Confident	72 Å²	72	87.9 Å²	87.9	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-41.4	175.8	53.9	0	0	0	0	112.8	R24 K25 L26 N31 L32	R24-S28 PolarHBondContact O-N 3.36Å; R24-S28 PolarHBondContact O-OG 3.49Å; K25-S28 PolarHBondContact O-N 3.02Å; K25-S28 PolarHBondContact O-OG 2.9Å; L26-S28 PolarHBondContact O-N 2.98Å; S28-N31 PolarHBondContact O-N 3.44Å; S28-L32 PolarHBondContact O-N 3.44Å
29	S	73.9	Confident	78.8	Confident	73 Å²	73	85.6 Å²	85.6	51%	0.51	47%	0.465	S	S	.	.	H	α-helix	trans	-67.7	-39.2	179	-62.1	0	0	0	0	112.3	K25 L26 G27 N31 L32 A33	K25-S29 PolarHBondContact O-N 2.77Å; K25-S29 PolarHBondContact O-OG 3.04Å; L26-S29 PolarHBondContact O-N 3.3Å; G27-S29 PolarHBondContact O-N 3.48Å; S29-N31 VanDerWaalsContact C-N 3.35Å; S29-L32 PolarHBondContact O-N 3.49Å; S29-A33 WeakPolarHBondContact O-CB 3.49Å; S29-A33 PolarHBondContact O-N 3.46Å
30	V	74.7	Confident	78.5	Confident	90 Å²	90	92.7 Å²	92.7	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-64.6	-40.7	175.3	171.7	0	0	0	0	110.9	L26 G27 A33 S34	L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 2.9Å; G27-V30 PolarHBondContact O-N 3.44Å; V30-A33 PolarHBondContact O-N 3.36Å; V30-S34 WeakPolarHBondContact O-CB 3.49Å; V30-S34 PolarHBondContact O-N 3.14Å; V30-S34 PolarHBondContact O-OG 3.27Å
31	N	79.5	Confident	78.3	Confident	100 Å²	100	92 Å²	92	54%	0.535	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-39.1	176.3	-71.7	-22.2	0	0	0	112.6	G27 S28 S29 S34 K35	G27-N31 WeakPolarHBondContact O-CB 3.41Å; G27-N31 VanDerWaalsContact O-CG 3.23Å; G27-N31 PolarHBondContact O-N 3.03Å; G27-N31 PolarHBondContact O-ND2 3Å; S28-N31 PolarHBondContact O-N 3.44Å; S29-N31 VanDerWaalsContact C-N 3.35Å; N31-S34 WeakPolarHBondContact CA-OG 3.49Å; N31-S34 PolarHBondContact O-OG 2.69Å; N31-K35 WeakPolarHBondContact O-CG 3.32Å; N31-K35 PolarHBondContact O-N 2.91Å
32	L	80.7	Confident	78.5	Confident	38 Å²	38	91.6 Å²	91.6	20%	0.199	50%	0.495	C	S	.	.	H	α-helix	trans	-66.9	-46.6	174.8	179.8	58.4	0	0	0	111	S28 S29 S34 K35 L36 I79 L86	S28-L32 PolarHBondContact O-N 3.44Å; S29-L32 PolarHBondContact O-N 3.49Å; L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3.47Å; L32-K35 WeakPolarHBondContact O-CB 3.38Å; L32-K35 PolarHBondContact O-N 2.9Å; L32-L36 HydrophobicContact CD1-CD1 4.05Å; L32-L36 HydrophobicContact CD1-CD2 4.45Å; L32-L36 HydrophobicContact CD1-CG 4.06Å; L32-L36 HydrophobicContact CG-CD1 3.92Å; L32-L36 HydrophobicContact CG-CG 4.36Å; L32-L36 VanDerWaalsContact O-CG 3.27Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 3.05Å; L32-I79 HydrophobicContact CD1-CB 4.44Å; L32-I79 HydrophobicContact CD1-CG1 4.01Å; L32-I79 HydrophobicContact CD1-CG2 3.77Å; L32-I79 HydrophobicContact CD2-CD1 4.36Å; L32-L86 HydrophobicContact CD1-CD2 4.4Å
33	A	79.6	Confident	78.9	Confident	52 Å²	52	93.1 Å²	93.1	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-60.3	-39.9	177.5	0	0	0	0	0	112.1	S29 V30 L36 T37	S29-A33 WeakPolarHBondContact O-CB 3.49Å; S29-A33 PolarHBondContact O-N 3.46Å; V30-A33 PolarHBondContact O-N 3.36Å; A33-L36 PolarHBondContact O-N 3.48Å; A33-T37 WeakPolarHBondContact O-CB 3.27Å; A33-T37 VanDerWaalsContact O-CG2 3.26Å; A33-T37 WeakPolarHBondContact O-CG2 3.18Å; A33-T37 PolarHBondContact O-N 3.5Å; A33-T37 PolarHBondContact O-OG1 3.39Å
34	S	80.3	Confident	79.5	Confident	61 Å²	61	87.8 Å²	87.8	43%	0.427	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-40.7	175.5	70.2	0	0	0	0	112.2	V30 N31 L32 L36 T37 H38	V30-S34 WeakPolarHBondContact O-CB 3.49Å; V30-S34 PolarHBondContact O-N 3.14Å; V30-S34 PolarHBondContact O-OG 3.27Å; N31-S34 WeakPolarHBondContact CA-OG 3.49Å; N31-S34 PolarHBondContact O-OG 2.69Å; L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3.47Å; S34-L36 PolarHBondContact O-N 3.2Å; S34-T37 WeakPolarHBondContact CA-OG1 3.26Å; S34-T37 PolarHBondContact O-N 3.06Å; S34-T37 PolarHBondContact O-OG1 3.39Å; S34-H38 PolarHBondContact O-N 2.91Å
35	K	79.4	Confident	80.3	Confident	68 Å²	68	88.6 Å²	88.6	30%	0.296	50%	0.503	S	S	.	.	H	α-helix	trans	-58.6	-47.7	171.9	-76.3	177.4	175.6	-171.9	0	111.4	N31 L32 C39 E80 P83	N31-K35 WeakPolarHBondContact O-CG 3.32Å; N31-K35 PolarHBondContact O-N 2.91Å; L32-K35 WeakPolarHBondContact O-CB 3.38Å; L32-K35 PolarHBondContact O-N 2.9Å; K35-C39 PolarHBondContact O-SG 3.43Å; K35-E80 IonicContact NZ-OE1 2.66Å; K35-E80 PolarHBondContact NZ-OE1 3.45Å; K35-E80 IonicContact NZ-OE2 2.62Å; K35-E80 PolarHBondContact NZ-OE2 3.01Å; K35-P83 HydrophobicContact CB-CB 4.14Å; K35-P83 HydrophobicContact CB-CG 4.37Å
36	L	80.6	Confident	81.5	Confident	25 Å²	25	81.3 Å²	81.3	13%	0.131	47%	0.471	C	S	.	.	H	α-helix	trans	-69.8	-32.7	-177.6	-63.3	173	0	0	0	112.9	L32 A33 S34 H38 C39 P83 L86 K87	L32-L36 HydrophobicContact CD1-CD1 4.05Å; L32-L36 HydrophobicContact CD1-CD2 4.45Å; L32-L36 HydrophobicContact CD1-CG 4.06Å; L32-L36 HydrophobicContact CG-CD1 3.92Å; L32-L36 HydrophobicContact CG-CG 4.36Å; L32-L36 VanDerWaalsContact O-CG 3.27Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 3.05Å; A33-L36 PolarHBondContact O-N 3.48Å; S34-L36 PolarHBondContact O-N 3.2Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.91Å; L36-C39 PolarHBondContact O-N 2.93Å; L36-P83 HydrophobicContact CD2-CB 4.15Å; L36-P83 VanDerWaalsContact CD2-O 3.24Å; L36-P83 WeakPolarHBondContact CD2-O 3.48Å; L36-L86 HydrophobicContact CD2-CD2 4.24Å; L36-L86 HydrophobicContact CD2-CG 4.33Å; L36-K87 HydrophobicContact CB-CD 4.44Å; L36-K87 HydrophobicContact CD2-CB 3.9Å; L36-K87 WeakPolarHBondContact O-CD 3.47Å; L36-K87 PolarHBondContact O-NZ 3.42Å
37	T	77.5	Confident	82.7	Confident	108 Å²	108	77 Å²	77	66%	0.663	45%	0.447	S	S	*	.	H	α-helix	trans	-67.7	-31.4	179.2	46.7	0	0	0	0	113.1	A33 S34	A33-T37 WeakPolarHBondContact O-CB 3.27Å; A33-T37 VanDerWaalsContact O-CG2 3.26Å; A33-T37 WeakPolarHBondContact O-CG2 3.18Å; A33-T37 PolarHBondContact O-N 3.5Å; A33-T37 PolarHBondContact O-OG1 3.39Å; S34-T37 WeakPolarHBondContact CA-OG1 3.26Å; S34-T37 PolarHBondContact O-N 3.06Å; S34-T37 PolarHBondContact O-OG1 3.39Å
38	H	77.2	Confident	83.9	Confident	170 Å²	170	75.7 Å²	75.7	79%	0.787	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.9	-179.6	-161	-59.2	0	0	0	113.8	S34 L36 K40	S34-H38 PolarHBondContact O-N 2.91Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.91Å; H38-K40 PolarHBondContact O-N 3.18Å
39	C	79.1	Confident	85	Confident	28 Å²	28	72.2 Å²	72.2	19%	0.189	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-74.1	133.3	-176.6	-71.4	0	0	0	0	112.6	K35 L36 P83 G84 K87	K35-C39 PolarHBondContact O-SG 3.43Å; L36-C39 PolarHBondContact O-N 2.93Å; C39-P83 VanDerWaalsContact SG-C 3.51Å; C39-G84 VanDerWaalsContact CB-CA 3.43Å; C39-G84 VanDerWaalsContact SG-CA 3.53Å; C39-G84 PolarHBondContact SG-N 2.96Å; C39-K87 HydrophobicContact CB-CD 4.48Å
40	K	79.6	Confident	86.2	Confident	186 Å²	186	69.1 Å²	69.1	81%	0.809	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-65.8	142.7	171.1	-67.2	-176.7	-179.6	178.3	0	109.4	H38 V42	H38-K40 PolarHBondContact O-N 3.18Å; K40-V42 PolarHBondContact O-N 2.93Å
41	P	78.9	Confident	87.3	Confident	125 Å²	125	64.8 Å²	64.8	81%	0.812	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-56.5	131.8	172.8	-22.3	32.4	0	0	0	110.6
42	V	88	Confident	88.2	Confident	39 Å²	39	60.1 Å²	60.1	24%	0.236	34%	0.336	C	S	.	.			trans	-96.9	112.9	171.9	-175.8	0	0	0	0	108	K40 I85 A88 L146	K40-V42 PolarHBondContact O-N 2.93Å; V42-I85 HydrophobicContact CB-CD1 4.37Å; V42-I85 HydrophobicContact CG1-CD1 3.81Å; V42-I85 HydrophobicContact CG2-CD1 4.11Å; V42-I85 HydrophobicContact CG2-CG1 4.45Å; V42-A88 HydrophobicContact CB-CB 3.98Å; V42-A88 HydrophobicContact CG2-CB 4.48Å; V42-L146 HydrophobicContact CG1-CD2 4.17Å; V42-L146 HydrophobicContact CG1-CG 4.45Å
43	P	90.7	Very high	89	Confident	113 Å²	113	59.6 Å²	59.6	73%	0.734	33%	0.332	S	S	*	.			trans	-74.2	136.7	178	30.4	-33.6	0	0	0	110.6	L146	P43-L146 WeakPolarHBondContact O-CD2 3.46Å
44	G	95	Very high	89.8	Confident	43 Å²	43	58.4 Å²	58.4	44%	0.443	32%	0.32	S	S	.	.	S	Bend	trans	128.6	165.6	173.4	0	0	0	0	0	113.3	Q92	G44-Q92 PolarHBondContact O-NE2 3.39Å
45	K	97.5	Very high	90.5	Very high	172 Å²	172	58.2 Å²	58.2	75%	0.748	31%	0.314	S	S	*	.			trans	-74	128.9	175.8	-66.6	-174.3	179.2	-178.6	0	109.2	A147	K45-A147 HydrophobicContact CB-CB 4.09Å; K45-A147 VanDerWaalsContact O-CB 3.24Å; K45-A147 WeakPolarHBondContact O-CB 3.42Å; K45-A147 PolarHBondContact O-N 3.46Å
46	M	97.9	Very high	91.1	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	153	177.1	-58.5	-55.8	-71.3	0	0	110.2	I85 A88 W89 P95 A145 L146	M46-I85 HydrophobicContact CE-CB 4.17Å; M46-I85 HydrophobicContact CE-CD1 3.54Å; M46-I85 HydrophobicContact CE-CG1 4.42Å; M46-I85 HydrophobicContact CE-CG2 3.58Å; M46-I85 HydrophobicContact SD-CD1 4.43Å; M46-A88 HydrophobicContact CE-CB 4.44Å; M46-A88 HydrophobicContact CG-CB 3.96Å; M46-A88 HydrophobicContact SD-CB 4.31Å; M46-W89 HydrophobicContact CB-CB 3.92Å; M46-W89 HydrophobicContact CB-CG 4.34Å; M46-W89 HydrophobicContact CE-CB 4.46Å; M46-W89 HydrophobicContact CG-CB 4.37Å; M46-P95 WeakPolarHBondContact O-CG 3.44Å; M46-A145 WeakPolarHBondContact CA-O 3.2Å; M46-A145 VanDerWaalsContact CE-C 3.43Å; M46-L146 HydrophobicContact SD-CD2 3.73Å; M46-L146 HydrophobicContact SD-CG 4.19Å
47	K	98.3	Very high	91.7	Very high	20 Å²	20	63.4 Å²	63.4	9%	0.087	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	163	166.8	63.1	179.7	-180	164.5	0	112	V49 I97 P144 A145 A147 I150 N151	K47-V49 HydrophobicContact CD-CG2 4.05Å; K47-V49 HydrophobicContact CG-CG2 4.44Å; K47-I97 HydrophobicContact CD-CD1 3.91Å; K47-P144 VanDerWaalsContact O-CA 3.3Å; K47-P144 WeakPolarHBondContact O-CA 3.4Å; K47-A145 PolarHBondContact N-O 2.9Å; K47-A145 PolarHBondContact O-N 3.21Å; K47-A145 VanDerWaalsContact O-N 3.12Å; K47-A147 HydrophobicContact CD-CB 4.05Å; K47-A147 HydrophobicContact CG-CB 4.1Å; K47-I150 HydrophobicContact CD-CG2 4.44Å; K47-I150 VanDerWaalsContact CE-CG2 3.48Å; K47-I150 HydrophobicContact CG-CB 4.42Å; K47-I150 HydrophobicContact CG-CD1 3.66Å; K47-I150 HydrophobicContact CG-CG2 4.48Å; K47-I150 WeakPolarHBondContact O-CD1 3.27Å; K47-N151 PolarHBondContact NZ-OD1 3.28Å
48	L	98.6	Very high	92.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.4	162.4	175.8	77.1	0	0	0	107.5	L50 A71 C74 W89 P95 K96 I97 I142 G143	L48-L50 HydrophobicContact CD2-CD2 3.97Å; L48-L50 HydrophobicContact CD2-CG 4.49Å; L48-L50 HydrophobicContact CG-CD2 4.2Å; L48-A71 HydrophobicContact CD2-CB 3.78Å; L48-C74 HydrophobicContact CD1-CB 3.79Å; L48-W89 HydrophobicContact CB-CZ2 3.75Å; L48-W89 HydrophobicContact CD2-CH2 4.35Å; L48-W89 HydrophobicContact CD2-CZ2 4.03Å; L48-P95 PolarHBondContact N-O 2.92Å; L48-K96 HydrophobicContact CB-CG 4.33Å; L48-K96 HydrophobicContact CD2-CD 4.21Å; L48-K96 HydrophobicContact CD2-CG 4.09Å; L48-K96 CarbonylContact O-C 3.58Å; L48-K96 VanDerWaalsContact O-CA 3.28Å; L48-K96 WeakPolarHBondContact O-CA 3.33Å; L48-I97 PolarHBondContact O-N 3.45Å; L48-I142 WeakPolarHBondContact CD1-O 3.31Å; L48-G143 WeakPolarHBondContact CD1-O 3.39Å
49	V	98.6	Very high	93.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.8	176.4	167.6	0	0	0	0	109.5	K47 I51 I97 L99 G141 I142 I150	K47-V49 HydrophobicContact CD-CG2 4.05Å; K47-V49 HydrophobicContact CG-CG2 4.44Å; V49-I51 HydrophobicContact CG1-CD1 4.18Å; V49-I51 HydrophobicContact CG1-CG1 3.73Å; V49-I97 CarbonylContact C-O 3.53Å; V49-I97 WeakPolarHBondContact CA-O 3.24Å; V49-I97 HydrophobicContact CG2-CB 4.32Å; V49-L99 HydrophobicContact CG1-CB 4.45Å; V49-L99 HydrophobicContact CG1-CD1 3.35Å; V49-L99 HydrophobicContact CG1-CG 3.89Å; V49-L99 HydrophobicContact CG2-CD1 4.37Å; V49-G141 CarbonylContact O-C 3.59Å; V49-G141 WeakPolarHBondContact O-CA 3.31Å; V49-I142 PolarHBondContact N-O 2.98Å; V49-I142 PolarHBondContact O-N 2.95Å; V49-I150 HydrophobicContact CB-CG2 4.01Å; V49-I150 HydrophobicContact CG2-CG2 3.5Å; V49-I150 VanDerWaalsContact CG2-CG2 3.5Å
50	L	98.7	Very high	94	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.037	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.9	179.8	-56.7	175.6	0	0	0	108.2	L48 C67 A70 A71 I97 V98 L99 V139 L140	L48-L50 HydrophobicContact CD2-CD2 3.97Å; L48-L50 HydrophobicContact CD2-CG 4.49Å; L48-L50 HydrophobicContact CG-CD2 4.2Å; L50-C67 HydrophobicContact CD1-CB 3.83Å; L50-A70 HydrophobicContact CD2-CB 3.84Å; L50-A71 HydrophobicContact CD2-CB 4.35Å; L50-I97 PolarHBondContact N-O 2.82Å; L50-V98 HydrophobicContact CB-CG2 4.44Å; L50-V98 HydrophobicContact CD1-CG2 4.42Å; L50-V98 CarbonylContact O-C 3.58Å; L50-V98 VanDerWaalsContact O-CA 3.31Å; L50-V98 WeakPolarHBondContact O-CA 3.43Å; L50-L99 PolarHBondContact O-N 3.17Å; L50-V139 HydrophobicContact CB-CG1 4.41Å; L50-L140 CarbonylContact C-O 3.53Å
51	I	98.6	Very high	94.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.6	-171.4	-59.7	161.1	0	0	0	108.2	V49 L99 V101 M107 L110 V139 L140 I142 L157	V49-I51 HydrophobicContact CG1-CD1 4.18Å; V49-I51 HydrophobicContact CG1-CG1 3.73Å; I51-L99 HydrophobicContact CG1-CB 4.33Å; I51-V101 HydrophobicContact CG2-CB 4.17Å; I51-V101 HydrophobicContact CG2-CG1 3.52Å; I51-V101 HydrophobicContact CG2-CG2 3.72Å; I51-M107 WeakPolarHBondContact O-CE 3.41Å; I51-L110 HydrophobicContact CD1-CD1 4.17Å; I51-L110 HydrophobicContact CG2-CD1 4.4Å; I51-V139 CarbonylContact O-C 3.58Å; I51-V139 VanDerWaalsContact O-CA 3.28Å; I51-V139 WeakPolarHBondContact O-CA 3.23Å; I51-L140 HydrophobicContact CB-CB 4.26Å; I51-L140 HydrophobicContact CD1-CD2 3.96Å; I51-L140 HydrophobicContact CD1-CG 4.32Å; I51-L140 PolarHBondContact N-O 3.42Å; I51-L140 PolarHBondContact O-N 3.42Å; I51-I142 HydrophobicContact CD1-CD1 3.54Å; I51-I142 HydrophobicContact CD1-CG1 4.2Å; I51-L157 HydrophobicContact CD1-CD1 4Å; I51-L157 HydrophobicContact CG1-CD1 4.08Å; I51-L157 HydrophobicContact CG2-CD1 4.21Å
52	V	98.1	Very high	95.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.3	-175	-176.9	0	0	0	0	110.3	S54 M58 I63 V98 L99 K100 V101 V139 L160	V52-S54 PolarHBondContact O-N 3.28Å; V52-M58 HydrophobicContact CG1-CE 3.56Å; V52-I63 HydrophobicContact CG1-CD1 4.42Å; V52-I63 HydrophobicContact CG1-CG1 4.28Å; V52-I63 HydrophobicContact CG1-CG2 4.3Å; V52-I63 HydrophobicContact CG2-CG2 4.11Å; V52-V98 HydrophobicContact CG2-CG1 3.63Å; V52-L99 PolarHBondContact N-O 3.36Å; V52-K100 VanDerWaalsContact O-CA 3.27Å; V52-K100 WeakPolarHBondContact O-CA 3.46Å; V52-V101 PolarHBondContact O-N 2.82Å; V52-V139 HydrophobicContact CG1-CG2 4.44Å; V52-V139 HydrophobicContact CG2-CG2 4.08Å; V52-L160 HydrophobicContact CB-CD1 4.2Å; V52-L160 HydrophobicContact CG1-CD1 4.35Å; V52-L160 HydrophobicContact CG2-CD2 4.28Å
53	R	96.8	Very high	95.7	Very high	28 Å²	28	47 Å²	47	11%	0.106	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	109.5	169.5	-93.4	178	67.9	-178.3	12.3	111.9	D55 L56 V101 M107 A137 T138	R53-D55 VanDerWaalsContact C-N 3.35Å; R53-D55 WeakPolarHBondContact CB-OD1 3.21Å; R53-D55 WeakPolarHBondContact CG-OD1 3.4Å; R53-D55 IonicContact CZ-OD2 3.29Å; R53-D55 IonicContact NE-OD1 2.9Å; R53-D55 PolarHBondContact NE-OD1 2.9Å; R53-D55 VanDerWaalsContact NE-OD1 3.13Å; R53-D55 IonicContact NE-OD2 3.13Å; R53-D55 PolarHBondContact NE-OD2 3.44Å; R53-D55 IonicContact NH2-OD1 2.69Å; R53-D55 IonicContact NH2-OD2 4Å; R53-D55 PolarHBondContact NH2-OD2 3.23Å; R53-L56 HydrophobicContact CB-CD1 3.8Å; R53-L56 HydrophobicContact CB-CG 3.97Å; R53-V101 HydrophobicContact CG-CG2 4.05Å; R53-M107 HydrophobicContact CB-CE 4.38Å; R53-M107 HydrophobicContact CG-CE 3.62Å; R53-M107 HydrophobicContact CG-SD 4.35Å; R53-A137 VanDerWaalsContact CD-O 3.23Å; R53-A137 WeakPolarHBondContact CD-O 3.23Å; R53-A137 PolarHBondContact NH1-O 2.8Å; R53-T138 PolarHBondContact N-O 2.71Å
54	S	96	Very high	95.9	Very high	26 Å²	26	44.2 Å²	44.2	18%	0.182	27%	0.265	C	S	.	.	S	Bend	trans	-79.3	-19.7	-176.5	107	0	0	0	0	112.9	V52 L56 K57 V101 D102	V52-S54 PolarHBondContact O-N 3.28Å; S54-L56 VanDerWaalsContact C-N 3.29Å; S54-L56 PolarHBondContact O-N 3.25Å; S54-K57 WeakPolarHBondContact O-CD 3.31Å; S54-K57 PolarHBondContact O-NZ 3.35Å; S54-V101 WeakPolarHBondContact CB-O 3.48Å; S54-V101 PolarHBondContact N-O 2.84Å; S54-D102 PolarHBondContact OG-OD1 3.4Å
55	D	94.8	Very high	96	Very high	58 Å²	58	44.1 Å²	44.1	31%	0.31	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-30	175.6	60.9	-53.2	0	0	0	112.4	R53 K57 D102	R53-D55 VanDerWaalsContact C-N 3.35Å; R53-D55 WeakPolarHBondContact CB-OD1 3.21Å; R53-D55 WeakPolarHBondContact CG-OD1 3.4Å; R53-D55 IonicContact CZ-OD2 3.29Å; R53-D55 IonicContact NE-OD1 2.9Å; R53-D55 PolarHBondContact NE-OD1 2.9Å; R53-D55 VanDerWaalsContact NE-OD1 3.13Å; R53-D55 IonicContact NE-OD2 3.13Å; R53-D55 PolarHBondContact NE-OD2 3.44Å; R53-D55 IonicContact NH2-OD1 2.69Å; R53-D55 IonicContact NH2-OD2 4Å; R53-D55 PolarHBondContact NH2-OD2 3.23Å; D55-K57 PolarHBondContact O-N 3.12Å; D55-D102 WeakPolarHBondContact CB-O 3.26Å
56	L	93.2	Very high	95.9	Very high	34 Å²	34	36.7 Å²	36.7	18%	0.178	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.7	-178.2	-62.4	179.9	0	0	0	114.7	R53 S54 M58 V132 T136 T138	R53-L56 HydrophobicContact CB-CD1 3.8Å; R53-L56 HydrophobicContact CB-CG 3.97Å; S54-L56 VanDerWaalsContact C-N 3.29Å; S54-L56 PolarHBondContact O-N 3.25Å; L56-M58 HydrophobicContact CB-CG 3.97Å; L56-M58 HydrophobicContact CD1-CE 4.43Å; L56-M58 PolarHBondContact O-N 3.44Å; L56-V132 HydrophobicContact CD2-CG1 4.04Å; L56-T136 HydrophobicContact CD1-CG2 3.84Å; L56-T136 HydrophobicContact CD2-CG2 3.85Å; L56-T138 HydrophobicContact CD1-CG2 4.13Å
57	K	92.7	Very high	95.9	Very high	168 Å²	168	36.9 Å²	36.9	73%	0.73	23%	0.23	S	C	*	.			trans	45.8	40.9	179.8	-52.7	-56.5	171.9	-152.5	0	113.7	S54 D55	S54-K57 WeakPolarHBondContact O-CD 3.31Å; S54-K57 PolarHBondContact O-NZ 3.35Å; D55-K57 PolarHBondContact O-N 3.12Å
58	M	92.7	Very high	95.8	Very high	22 Å²	22	39.3 Å²	39.3	11%	0.108	25%	0.249	C	C	.	.			trans	-63.3	138.7	179.6	-66.8	-172.8	-75.3	0	0	111.1	V52 L56 K62 I63 Q66 T138 V139	V52-M58 HydrophobicContact CG1-CE 3.56Å; L56-M58 HydrophobicContact CB-CG 3.97Å; L56-M58 HydrophobicContact CD1-CE 4.43Å; L56-M58 PolarHBondContact O-N 3.44Å; M58-K62 HydrophobicContact CB-CB 4.4Å; M58-K62 HydrophobicContact CB-CD 4.41Å; M58-K62 HydrophobicContact CG-CD 4.1Å; M58-K62 HydrophobicContact CG-CG 4.49Å; M58-K62 HydrophobicContact SD-CD 4.18Å; M58-K62 HydrophobicContact SD-CG 4.19Å; M58-I63 HydrophobicContact CB-CD1 4.21Å; M58-I63 HydrophobicContact CB-CG1 3.58Å; M58-I63 HydrophobicContact CE-CG1 4.31Å; M58-I63 WeakPolarHBondContact O-CD1 3.29Å; M58-Q66 HydrophobicContact SD-CG 4.35Å; M58-T138 HydrophobicContact SD-CG2 3.89Å; M58-V139 HydrophobicContact CE-CG2 4.48Å
59	G	93.5	Very high	95.7	Very high	48 Å²	48	44.2 Å²	44.2	50%	0.495	27%	0.272	S	S	.	.			trans	-67.4	157.1	171.1	0	0	0	0	0	112.1	G61 K62 I63	G59-G61 VanDerWaalsContact C-N 3.31Å; G59-G61 PolarHBondContact O-N 2.93Å; G59-K62 PolarHBondContact O-N 3.09Å; G59-I63 PolarHBondContact O-N 3.49Å
60	C	95	Very high	95.7	Very high	113 Å²	113	44.2 Å²	44.2	76%	0.764	27%	0.272	S	S	*	.	H	α-helix	trans	-53.3	-42.6	-175	57.8	0	0	0	0	113.7	K62 I63 A64	C60-K62 PolarHBondContact O-N 2.62Å; C60-I63 PolarHBondContact O-N 3.44Å; C60-A64 WeakPolarHBondContact O-CB 3.48Å; C60-A64 PolarHBondContact O-N 3.43Å
61	G	94.3	Very high	95.7	Very high	51 Å²	51	44.4 Å²	44.4	53%	0.526	28%	0.275	S	S	.	.	H	α-helix	trans	-64.5	-37.7	177.5	0	0	0	0	0	113.1	G59 A65	G59-G61 VanDerWaalsContact C-N 3.31Å; G59-G61 PolarHBondContact O-N 2.93Å; G61-A65 PolarHBondContact O-N 3.49Å; G61-A65 VanDerWaalsContact O-N 3.08Å
62	K	92.5	Very high	95.6	Very high	46 Å²	46	48.1 Å²	48.1	20%	0.2	30%	0.297	C	S	.	.	H	α-helix	trans	-69.7	-43.2	175.9	-169.4	175.6	-177.1	-170.6	0	110.7	M58 G59 C60 A64 A65 Q66 D126 T130	M58-K62 HydrophobicContact CB-CB 4.4Å; M58-K62 HydrophobicContact CB-CD 4.41Å; M58-K62 HydrophobicContact CG-CD 4.1Å; M58-K62 HydrophobicContact CG-CG 4.49Å; M58-K62 HydrophobicContact SD-CD 4.18Å; M58-K62 HydrophobicContact SD-CG 4.19Å; G59-K62 PolarHBondContact O-N 3.09Å; C60-K62 PolarHBondContact O-N 2.62Å; K62-A64 VanDerWaalsContact C-N 3.34Å; K62-A64 PolarHBondContact O-N 3.14Å; K62-A65 PolarHBondContact O-N 3.42Å; K62-Q66 HydrophobicContact CG-CG 4.28Å; K62-Q66 WeakPolarHBondContact O-CG 3.06Å; K62-Q66 PolarHBondContact O-N 3.17Å; K62-D126 VanDerWaalsContact CE-OD2 3.23Å; K62-D126 WeakPolarHBondContact CE-OD2 3.42Å; K62-D126 IonicContact NZ-OD2 2.71Å; K62-D126 PolarHBondContact NZ-OD2 3.43Å; K62-T130 HydrophobicContact CD-CG2 4.44Å; K62-T130 PolarHBondContact NZ-OG1 2.91Å
63	I	95.4	Very high	95.6	Very high	30 Å²	30	49.8 Å²	49.8	15%	0.154	31%	0.309	C	S	.	.	H	α-helix	trans	-57.4	-48.7	174.8	-66.3	176.6	0	0	0	110.4	V52 M58 G59 C60 A65 Q66 C67 L160	V52-I63 HydrophobicContact CG1-CD1 4.42Å; V52-I63 HydrophobicContact CG1-CG1 4.28Å; V52-I63 HydrophobicContact CG1-CG2 4.3Å; V52-I63 HydrophobicContact CG2-CG2 4.11Å; M58-I63 HydrophobicContact CB-CD1 4.21Å; M58-I63 HydrophobicContact CB-CG1 3.58Å; M58-I63 HydrophobicContact CE-CG1 4.31Å; M58-I63 WeakPolarHBondContact O-CD1 3.29Å; G59-I63 PolarHBondContact O-N 3.49Å; C60-I63 PolarHBondContact O-N 3.44Å; I63-A65 PolarHBondContact O-N 3.47Å; I63-Q66 PolarHBondContact O-N 3.17Å; I63-C67 VanDerWaalsContact O-CB 3.28Å; I63-C67 WeakPolarHBondContact O-CB 3.46Å; I63-C67 PolarHBondContact O-N 2.97Å; I63-C67 PolarHBondContact O-SG 3.03Å; I63-C67 VanDerWaalsContact O-SG 3.42Å; I63-L160 HydrophobicContact CD1-CD2 4.16Å; I63-L160 HydrophobicContact CG2-CD2 3.77Å
64	A	96.5	Very high	95.6	Very high	55 Å²	55	48.4 Å²	48.4	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-56.7	-49.1	178.8	0	0	0	0	0	111.6	C60 K62 Q66 C67 S68	C60-A64 WeakPolarHBondContact O-CB 3.48Å; C60-A64 PolarHBondContact O-N 3.43Å; K62-A64 VanDerWaalsContact C-N 3.34Å; K62-A64 PolarHBondContact O-N 3.14Å; A64-Q66 PolarHBondContact O-N 2.91Å; A64-C67 PolarHBondContact O-N 3.42Å; A64-S68 PolarHBondContact O-N 3.47Å; A64-S68 PolarHBondContact O-OG 3.11Å; A64-S68 VanDerWaalsContact O-OG 3.05Å
65	A	95.5	Very high	95.7	Very high	42 Å²	42	50.5 Å²	50.5	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-46	178.3	0	0	0	0	0	112.8	G61 K62 I63 S68 H69	G61-A65 PolarHBondContact O-N 3.49Å; G61-A65 VanDerWaalsContact O-N 3.08Å; K62-A65 PolarHBondContact O-N 3.42Å; I63-A65 PolarHBondContact O-N 3.47Å; A65-S68 WeakPolarHBondContact O-CB 3.35Å; A65-S68 PolarHBondContact O-N 2.88Å; A65-H69 PolarHBondContact O-CD2 3.35Å; A65-H69 PolarHBondContact O-N 3.16Å
66	Q	95.3	Very high	95.7	Very high	15 Å²	15	53.6 Å²	53.6	7%	0.07	32%	0.321	C	S	.	.	H	α-helix	trans	-67.7	-39	-179.6	-61.7	-65.2	-51.7	0	0	111.9	M58 K62 I63 A64 S68 H69 A70 T138 V139	M58-Q66 HydrophobicContact SD-CG 4.35Å; K62-Q66 HydrophobicContact CG-CG 4.28Å; K62-Q66 WeakPolarHBondContact O-CG 3.06Å; K62-Q66 PolarHBondContact O-N 3.17Å; I63-Q66 PolarHBondContact O-N 3.17Å; A64-Q66 PolarHBondContact O-N 2.91Å; Q66-S68 VanDerWaalsContact C-N 3.34Å; Q66-H69 PolarHBondContact O-N 3.12Å; Q66-A70 PolarHBondContact O-N 3.47Å; Q66-T138 HydrophobicContact CG-CG2 4.39Å; Q66-T138 PolarHBondContact OE1-OG1 3.45Å; Q66-V139 HydrophobicContact CB-CB 4.34Å; Q66-V139 HydrophobicContact CB-CG2 3.52Å
67	C	97.8	Very high	95.8	Very high	11 Å²	11	54.6 Å²	54.6	7%	0.074	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-40	171.2	-79.7	0	0	0	0	112.1	L50 I63 A64 A70 A71	L50-C67 HydrophobicContact CD1-CB 3.83Å; I63-C67 VanDerWaalsContact O-CB 3.28Å; I63-C67 WeakPolarHBondContact O-CB 3.46Å; I63-C67 PolarHBondContact O-N 2.97Å; I63-C67 PolarHBondContact O-SG 3.03Å; I63-C67 VanDerWaalsContact O-SG 3.42Å; A64-C67 PolarHBondContact O-N 3.42Å; C67-A70 PolarHBondContact O-N 3.37Å; C67-A71 WeakPolarHBondContact O-CB 3.34Å; C67-A71 PolarHBondContact O-N 3.18Å
68	S	97.7	Very high	96	Very high	71 Å²	71	46.9 Å²	46.9	50%	0.497	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-42.5	174.3	-63.4	0	0	0	0	112	A64 A65 Q66 A70 A71 V72	A64-S68 PolarHBondContact O-N 3.47Å; A64-S68 PolarHBondContact O-OG 3.11Å; A64-S68 VanDerWaalsContact O-OG 3.05Å; A65-S68 WeakPolarHBondContact O-CB 3.35Å; A65-S68 PolarHBondContact O-N 2.88Å; Q66-S68 VanDerWaalsContact C-N 3.34Å; S68-A70 PolarHBondContact O-N 2.98Å; S68-A71 PolarHBondContact O-N 3.19Å; S68-V72 WeakPolarHBondContact O-CG2 3.25Å; S68-V72 PolarHBondContact O-N 3.27Å
69	H	96.5	Very high	96	Very high	102 Å²	102	47.2 Å²	47.2	47%	0.472	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-44.9	174.4	-67.3	-42.1	0	0	0	112.1	A65 Q66 A71 V72 S73 I124	A65-H69 PolarHBondContact O-CD2 3.35Å; A65-H69 PolarHBondContact O-N 3.16Å; Q66-H69 PolarHBondContact O-N 3.12Å; H69-A71 VanDerWaalsContact C-N 3.34Å; H69-A71 PolarHBondContact O-N 3.44Å; H69-V72 PolarHBondContact O-N 2.98Å; H69-S73 WeakPolarHBondContact O-CB 3.44Å; H69-S73 PolarHBondContact O-N 3.29Å; H69-I124 HydrophobicContact CB-CD1 4.12Å; H69-I124 HydrophobicContact CB-CG1 4.12Å; H69-I124 HydrophobicContact CB-CG2 3.92Å
70	A	97.7	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-43.8	177.6	0	0	0	0	0	111.5	L50 Q66 C67 S68 S73 C74 I124 V139	L50-A70 HydrophobicContact CD2-CB 3.84Å; Q66-A70 PolarHBondContact O-N 3.47Å; C67-A70 PolarHBondContact O-N 3.37Å; S68-A70 PolarHBondContact O-N 2.98Å; A70-S73 PolarHBondContact O-N 2.97Å; A70-C74 WeakPolarHBondContact O-CB 3.38Å; A70-C74 PolarHBondContact O-N 3.26Å; A70-C74 PolarHBondContact O-SG 3.43Å; A70-I124 VanDerWaalsContact CA-CG1 3.44Å; A70-I124 HydrophobicContact CB-CD1 4.38Å; A70-I124 HydrophobicContact CB-CG1 3.59Å; A70-V139 HydrophobicContact CB-CB 4.38Å; A70-V139 HydrophobicContact CB-CG1 3.74Å
71	A	98.4	Very high	95.6	Very high	12 Å²	12	52.6 Å²	52.6	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-42.6	179.3	0	0	0	0	0	112.9	L48 L50 C67 S68 H69 Y75	L48-A71 HydrophobicContact CD2-CB 3.78Å; L50-A71 HydrophobicContact CD2-CB 4.35Å; C67-A71 WeakPolarHBondContact O-CB 3.34Å; C67-A71 PolarHBondContact O-N 3.18Å; S68-A71 PolarHBondContact O-N 3.19Å; H69-A71 VanDerWaalsContact C-N 3.34Å; H69-A71 PolarHBondContact O-N 3.44Å; A71-Y75 WeakPolarHBondContact O-CB 3.37Å; A71-Y75 PolarHBondContact O-N 3.3Å
72	V	97.8	Very high	95.5	Very high	78 Å²	78	53.6 Å²	53.6	47%	0.473	29%	0.285	S	S	.	.	H	α-helix	trans	-67.4	-42.8	177.1	173.5	0	0	0	0	111	S68 H69 C74 Y75 E76	S68-V72 WeakPolarHBondContact O-CG2 3.25Å; S68-V72 PolarHBondContact O-N 3.27Å; H69-V72 PolarHBondContact O-N 2.98Å; V72-C74 VanDerWaalsContact C-N 3.34Å; V72-C74 PolarHBondContact O-N 2.82Å; V72-Y75 WeakPolarHBondContact O-CB 3.45Å; V72-Y75 PolarHBondContact O-N 3.17Å; V72-Y75 VanDerWaalsContact O-N 3.12Å; V72-E76 HydrophobicContact CG1-CG 4.36Å; V72-E76 WeakPolarHBondContact O-CG 3.09Å; V72-E76 PolarHBondContact O-N 2.96Å
73	S	97.2	Very high	95.5	Very high	35 Å²	35	52.7 Å²	52.7	25%	0.245	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-43.7	177.7	-179.8	0	0	0	0	111.8	H69 A70 Y75 E76 E77 S122	H69-S73 WeakPolarHBondContact O-CB 3.44Å; H69-S73 PolarHBondContact O-N 3.29Å; A70-S73 PolarHBondContact O-N 2.97Å; S73-Y75 VanDerWaalsContact C-N 3.33Å; S73-Y75 PolarHBondContact O-N 3.17Å; S73-E76 PolarHBondContact O-N 2.94Å; S73-E77 PolarHBondContact O-N 3.19Å; S73-E77 VanDerWaalsContact O-N 3.14Å; S73-S122 WeakPolarHBondContact CB-OG 3.47Å; S73-S122 VanDerWaalsContact OG-CB 3.31Å; S73-S122 WeakPolarHBondContact OG-CB 3.43Å; S73-S122 PolarHBondContact OG-OG 3.32Å
74	C	98	Very high	95.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-38.2	174.6	-69.9	0	0	0	0	112.4	L48 A70 V72 E77 I78 V120 G143	L48-C74 HydrophobicContact CD1-CB 3.79Å; A70-C74 WeakPolarHBondContact O-CB 3.38Å; A70-C74 PolarHBondContact O-N 3.26Å; A70-C74 PolarHBondContact O-SG 3.43Å; V72-C74 VanDerWaalsContact C-N 3.34Å; V72-C74 PolarHBondContact O-N 2.82Å; C74-E77 PolarHBondContact O-N 2.82Å; C74-I78 WeakPolarHBondContact O-CB 3.31Å; C74-I78 WeakPolarHBondContact O-CG2 3.42Å; C74-I78 PolarHBondContact O-N 3.07Å; C74-V120 HydrophobicContact CB-CG1 4.19Å; C74-G143 VanDerWaalsContact CB-O 3.3Å; C74-G143 WeakPolarHBondContact CB-O 3.47Å
75	Y	97.5	Very high	95.3	Very high	70 Å²	70	49.7 Å²	49.7	28%	0.275	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-47.8	176.8	-178.9	-94	0	0	0	112.1	A71 V72 S73 E77 I78 I79 L86 W89 E90	A71-Y75 WeakPolarHBondContact O-CB 3.37Å; A71-Y75 PolarHBondContact O-N 3.3Å; V72-Y75 WeakPolarHBondContact O-CB 3.45Å; V72-Y75 PolarHBondContact O-N 3.17Å; V72-Y75 VanDerWaalsContact O-N 3.12Å; S73-Y75 VanDerWaalsContact C-N 3.33Å; S73-Y75 PolarHBondContact O-N 3.17Å; Y75-E77 VanDerWaalsContact C-N 3.3Å; Y75-E77 PolarHBondContact O-N 3.12Å; Y75-I78 VanDerWaalsContact O-CG2 3.29Å; Y75-I78 WeakPolarHBondContact O-CG2 3.33Å; Y75-I78 PolarHBondContact O-N 2.98Å; Y75-I79 HydrophobicContact CD1-CD1 3.69Å; Y75-I79 HydrophobicContact CD1-CG1 4.46Å; Y75-I79 HydrophobicContact CE1-CD1 3.34Å; Y75-I79 HydrophobicContact CE1-CG1 4.18Å; Y75-I79 WeakPolarHBondContact O-CG1 3.43Å; Y75-I79 PolarHBondContact O-N 3.4Å; Y75-L86 HydrophobicContact CD2-CD1 3.74Å; Y75-L86 HydrophobicContact CE2-CD1 3.55Å; Y75-L86 HydrophobicContact CE2-CD2 4.35Å; Y75-W89 HydrophobicContact CD2-CZ3 4.06Å; Y75-E90 VanDerWaalsContact CE2-OE1 3.31Å; Y75-E90 WeakPolarHBondContact CE2-OE1 3.21Å; Y75-E90 PolarHBondContact OH-OE1 2.72Å; Y75-E90 VanDerWaalsContact OH-OE1 3.09Å
76	E	95.3	Very high	95.3	Very high	123 Å²	123	47.7 Å²	47.7	58%	0.575	25%	0.245	S	C	*	.	H	α-helix	trans	-62.1	-39.8	178.9	-71.4	177	167	0	0	111.6	V72 S73	V72-E76 HydrophobicContact CG1-CG 4.36Å; V72-E76 WeakPolarHBondContact O-CG 3.09Å; V72-E76 PolarHBondContact O-N 2.96Å; S73-E76 PolarHBondContact O-N 2.94Å
77	E	95.6	Very high	95.3	Very high	54 Å²	54	50 Å²	50	25%	0.252	26%	0.255	S	S	.	.	H	α-helix	trans	-70.5	-40.9	-180	-168.1	179.9	153.5	0	0	112.8	S73 C74 Y75 I79 E80 K81 V120	S73-E77 PolarHBondContact O-N 3.19Å; S73-E77 VanDerWaalsContact O-N 3.14Å; C74-E77 PolarHBondContact O-N 2.82Å; Y75-E77 VanDerWaalsContact C-N 3.3Å; Y75-E77 PolarHBondContact O-N 3.12Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 3.5Å; E77-E80 PolarHBondContact O-N 2.94Å; E77-K81 HydrophobicContact CG-CD 4.02Å; E77-K81 PolarHBondContact O-N 3.45Å; E77-K81 VanDerWaalsContact OE1-CE 3.26Å; E77-K81 WeakPolarHBondContact OE1-CE 3.46Å; E77-K81 IonicContact OE1-NZ 3.42Å; E77-K81 PolarHBondContact OE1-NZ 3.47Å; E77-V120 HydrophobicContact CB-CG1 3.92Å; E77-V120 HydrophobicContact CG-CG1 4.08Å; E77-V120 HydrophobicContact CG-CG2 4.09Å
78	I	95.4	Very high	95.2	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-71.3	-26.4	-178.3	-162.3	70.9	0	0	0	112.8	C74 Y75 E80 K81 N82 I85 L86 V120 P144	C74-I78 WeakPolarHBondContact O-CB 3.31Å; C74-I78 WeakPolarHBondContact O-CG2 3.42Å; C74-I78 PolarHBondContact O-N 3.07Å; Y75-I78 VanDerWaalsContact O-CG2 3.29Å; Y75-I78 WeakPolarHBondContact O-CG2 3.33Å; Y75-I78 PolarHBondContact O-N 2.98Å; I78-E80 PolarHBondContact O-N 3.38Å; I78-K81 PolarHBondContact O-N 3Å; I78-N82 HydrophobicContact CD1-CB 3.85Å; I78-N82 HydrophobicContact CG1-CB 4.49Å; I78-N82 CarbonylContact O-C 3.32Å; I78-N82 PolarHBondContact O-N 2.96Å; I78-I85 HydrophobicContact CD1-CB 4.48Å; I78-I85 HydrophobicContact CD1-CG2 3.96Å; I78-I85 HydrophobicContact CG1-CG2 4.11Å; I78-L86 HydrophobicContact CG1-CB 4.32Å; I78-L86 HydrophobicContact CG2-CB 4.02Å; I78-L86 HydrophobicContact CG2-CD1 3.81Å; I78-L86 HydrophobicContact CG2-CD2 4.3Å; I78-L86 HydrophobicContact CG2-CG 4.26Å; I78-V120 HydrophobicContact CB-CG2 4.3Å; I78-V120 HydrophobicContact CD1-CB 4.37Å; I78-V120 HydrophobicContact CD1-CG2 3.63Å; I78-P144 HydrophobicContact CB-CG 4.33Å; I78-P144 HydrophobicContact CG1-CG 4.09Å; I78-P144 HydrophobicContact CG2-CG 3.88Å
79	I	92.4	Very high	95.1	Very high	28 Å²	28	46.7 Å²	46.7	14%	0.144	23%	0.232	C	C	.	.	H	α-helix	trans	-53.3	-42.8	174.8	-77.2	164.9	0	0	0	111.2	L32 Y75 E77 L86	L32-I79 HydrophobicContact CD1-CB 4.44Å; L32-I79 HydrophobicContact CD1-CG1 4.01Å; L32-I79 HydrophobicContact CD1-CG2 3.77Å; L32-I79 HydrophobicContact CD2-CD1 4.36Å; Y75-I79 HydrophobicContact CD1-CD1 3.69Å; Y75-I79 HydrophobicContact CD1-CG1 4.46Å; Y75-I79 HydrophobicContact CE1-CD1 3.34Å; Y75-I79 HydrophobicContact CE1-CG1 4.18Å; Y75-I79 WeakPolarHBondContact O-CG1 3.43Å; Y75-I79 PolarHBondContact O-N 3.4Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 3.5Å; I79-L86 HydrophobicContact CB-CD2 4.31Å; I79-L86 HydrophobicContact CG1-CD2 3.43Å; I79-L86 VanDerWaalsContact CG1-CD2 3.43Å
80	E	89.6	Confident	95.1	Very high	137 Å²	137	44.5 Å²	44.5	64%	0.64	22%	0.222	S	C	*	.	H	α-helix	trans	-85.5	-39.2	-179.1	-66.5	-59.2	146.7	0	0	111.9	K35 E77 I78	K35-E80 IonicContact NZ-OE1 2.66Å; K35-E80 PolarHBondContact NZ-OE1 3.45Å; K35-E80 IonicContact NZ-OE2 2.62Å; K35-E80 PolarHBondContact NZ-OE2 3.01Å; E77-E80 PolarHBondContact O-N 2.94Å; I78-E80 PolarHBondContact O-N 3.38Å
81	K	92.1	Very high	95	Very high	137 Å²	137	50.3 Å²	50.3	60%	0.596	25%	0.253	S	S	*	.	H	α-helix	trans	-77.4	-44.5	-174.2	-72.4	-171.2	176.8	-179.6	0	114.1	E77 I78 V120	E77-K81 HydrophobicContact CG-CD 4.02Å; E77-K81 PolarHBondContact O-N 3.45Å; E77-K81 VanDerWaalsContact OE1-CE 3.26Å; E77-K81 WeakPolarHBondContact OE1-CE 3.46Å; E77-K81 IonicContact OE1-NZ 3.42Å; E77-K81 PolarHBondContact OE1-NZ 3.47Å; I78-K81 PolarHBondContact O-N 3Å; K81-V120 HydrophobicContact CB-CG2 4.47Å; K81-V120 HydrophobicContact CD-CG2 3.82Å
82	N	91.6	Very high	94.9	Very high	73 Å²	73	53.8 Å²	53.8	39%	0.39	27%	0.268	S	S	.	.			trans	-154.2	78.1	-174.8	-161.9	-27.7	0	0	0	112.1	I78 G84 I85 L86	I78-N82 HydrophobicContact CD1-CB 3.85Å; I78-N82 HydrophobicContact CG1-CB 4.49Å; I78-N82 CarbonylContact O-C 3.32Å; I78-N82 PolarHBondContact O-N 2.96Å; N82-G84 PolarHBondContact O-N 2.87Å; N82-G84 VanDerWaalsContact O-N 3.12Å; N82-G84 PolarHBondContact OD1-N 2.84Å; N82-I85 HydrophobicContact CB-CB 4.04Å; N82-I85 HydrophobicContact CB-CG1 4.16Å; N82-I85 WeakPolarHBondContact ND2-CG1 3.3Å; N82-I85 PolarHBondContact O-N 3.34Å; N82-I85 VanDerWaalsContact O-N 3.17Å; N82-I85 WeakPolarHBondContact OD1-CG1 3.42Å; N82-I85 PolarHBondContact OD1-N 3.31Å; N82-L86 PolarHBondContact O-N 2.95Å; N82-L86 VanDerWaalsContact O-N 3.11Å
83	P	91.8	Very high	94.8	Very high	26 Å²	26	52.9 Å²	52.9	17%	0.169	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-22.7	-179.6	22.4	-33	0	0	0	113.5	K35 L36 C39 L86 K87	K35-P83 HydrophobicContact CB-CB 4.14Å; K35-P83 HydrophobicContact CB-CG 4.37Å; L36-P83 HydrophobicContact CD2-CB 4.15Å; L36-P83 VanDerWaalsContact CD2-O 3.24Å; L36-P83 WeakPolarHBondContact CD2-O 3.48Å; C39-P83 VanDerWaalsContact SG-C 3.51Å; P83-L86 PolarHBondContact O-N 2.82Å; P83-K87 WeakPolarHBondContact O-CB 3.45Å; P83-K87 PolarHBondContact O-N 3.22Å
84	G	93.3	Very high	94.9	Very high	7 Å²	7	55.6 Å²	55.6	7%	0.072	28%	0.282	C	S	.	.	H	α-helix	trans	-73.4	-39.2	177.3	0	0	0	0	0	113.1	C39 N82 K87 A88	C39-G84 VanDerWaalsContact CB-CA 3.43Å; C39-G84 VanDerWaalsContact SG-CA 3.53Å; C39-G84 PolarHBondContact SG-N 2.96Å; N82-G84 PolarHBondContact O-N 2.87Å; N82-G84 VanDerWaalsContact O-N 3.12Å; N82-G84 PolarHBondContact OD1-N 2.84Å; G84-K87 PolarHBondContact O-N 3.47Å; G84-A88 WeakPolarHBondContact O-CB 3.42Å; G84-A88 PolarHBondContact O-N 2.92Å
85	I	95.5	Very high	94.9	Very high	15 Å²	15	57.7 Å²	57.7	8%	0.077	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-43.2	170.6	-74.4	-71.4	0	0	0	110.7	V42 M46 I78 N82 A88 W89 P144	V42-I85 HydrophobicContact CB-CD1 4.37Å; V42-I85 HydrophobicContact CG1-CD1 3.81Å; V42-I85 HydrophobicContact CG2-CD1 4.11Å; V42-I85 HydrophobicContact CG2-CG1 4.45Å; M46-I85 HydrophobicContact CE-CB 4.17Å; M46-I85 HydrophobicContact CE-CD1 3.54Å; M46-I85 HydrophobicContact CE-CG1 4.42Å; M46-I85 HydrophobicContact CE-CG2 3.58Å; M46-I85 HydrophobicContact SD-CD1 4.43Å; I78-I85 HydrophobicContact CD1-CB 4.48Å; I78-I85 HydrophobicContact CD1-CG2 3.96Å; I78-I85 HydrophobicContact CG1-CG2 4.11Å; N82-I85 HydrophobicContact CB-CB 4.04Å; N82-I85 HydrophobicContact CB-CG1 4.16Å; N82-I85 WeakPolarHBondContact ND2-CG1 3.3Å; N82-I85 PolarHBondContact O-N 3.34Å; N82-I85 VanDerWaalsContact O-N 3.17Å; N82-I85 WeakPolarHBondContact OD1-CG1 3.42Å; N82-I85 PolarHBondContact OD1-N 3.31Å; I85-A88 PolarHBondContact O-N 3.42Å; I85-W89 WeakPolarHBondContact O-CB 3.36Å; I85-W89 PolarHBondContact O-N 3.29Å; I85-P144 WeakPolarHBondContact CG2-O 3.3Å
86	L	95.3	Very high	94.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.1	-51.7	175.2	174.6	58.8	0	0	0	111.1	L32 L36 Y75 I78 I79 N82 P83 A88 W89 E90	L32-L86 HydrophobicContact CD1-CD2 4.4Å; L36-L86 HydrophobicContact CD2-CD2 4.24Å; L36-L86 HydrophobicContact CD2-CG 4.33Å; Y75-L86 HydrophobicContact CD2-CD1 3.74Å; Y75-L86 HydrophobicContact CE2-CD1 3.55Å; Y75-L86 HydrophobicContact CE2-CD2 4.35Å; I78-L86 HydrophobicContact CG1-CB 4.32Å; I78-L86 HydrophobicContact CG2-CB 4.02Å; I78-L86 HydrophobicContact CG2-CD1 3.81Å; I78-L86 HydrophobicContact CG2-CD2 4.3Å; I78-L86 HydrophobicContact CG2-CG 4.26Å; I79-L86 HydrophobicContact CB-CD2 4.31Å; I79-L86 HydrophobicContact CG1-CD2 3.43Å; I79-L86 VanDerWaalsContact CG1-CD2 3.43Å; N82-L86 PolarHBondContact O-N 2.95Å; N82-L86 VanDerWaalsContact O-N 3.11Å; P83-L86 PolarHBondContact O-N 2.82Å; L86-A88 PolarHBondContact O-N 3.09Å; L86-W89 HydrophobicContact CD1-CE3 4.03Å; L86-W89 HydrophobicContact CD1-CZ3 4.35Å; L86-W89 PolarHBondContact O-N 2.89Å; L86-W89 VanDerWaalsContact O-N 3.16Å; L86-E90 HydrophobicContact CD1-CG 4.06Å; L86-E90 HydrophobicContact CG-CG 4.49Å; L86-E90 WeakPolarHBondContact O-CG 3.44Å; L86-E90 PolarHBondContact O-N 2.7Å
87	K	94.3	Very high	95	Very high	63 Å²	63	55.9 Å²	55.9	27%	0.274	29%	0.29	S	S	.	.	H	α-helix	trans	-56.6	-49.2	177.4	-174.9	174.2	-176.8	179	0	112.3	L36 C39 P83 G84 W89 E90 D91	L36-K87 HydrophobicContact CB-CD 4.44Å; L36-K87 HydrophobicContact CD2-CB 3.9Å; L36-K87 WeakPolarHBondContact O-CD 3.47Å; L36-K87 PolarHBondContact O-NZ 3.42Å; C39-K87 HydrophobicContact CB-CD 4.48Å; P83-K87 WeakPolarHBondContact O-CB 3.45Å; P83-K87 PolarHBondContact O-N 3.22Å; G84-K87 PolarHBondContact O-N 3.47Å; K87-W89 PolarHBondContact O-N 3.44Å; K87-E90 PolarHBondContact O-N 2.91Å; K87-D91 WeakPolarHBondContact O-CB 3.47Å; K87-D91 VanDerWaalsContact O-CG 3.22Å; K87-D91 PolarHBondContact O-N 3.07Å
88	A	95.4	Very high	95.2	Very high	8 Å²	8	55.6 Å²	55.6	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-34.3	179.9	0	0	0	0	0	112.3	V42 M46 G84 I85 L86 Q92	V42-A88 HydrophobicContact CB-CB 3.98Å; V42-A88 HydrophobicContact CG2-CB 4.48Å; M46-A88 HydrophobicContact CE-CB 4.44Å; M46-A88 HydrophobicContact CG-CB 3.96Å; M46-A88 HydrophobicContact SD-CB 4.31Å; G84-A88 WeakPolarHBondContact O-CB 3.42Å; G84-A88 PolarHBondContact O-N 2.92Å; I85-A88 PolarHBondContact O-N 3.42Å; L86-A88 PolarHBondContact O-N 3.09Å; A88-Q92 VanDerWaalsContact O-CG 3.25Å; A88-Q92 WeakPolarHBondContact O-CG 3.44Å; A88-Q92 PolarHBondContact O-N 2.95Å; A88-Q92 PolarHBondContact O-NE2 3.14Å
89	W	97.3	Very high	95.3	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.019	29%	0.293	C	S	.	.	H	α-helix	trans	-72.2	-42.6	174.8	178.4	69.6	0	0	0	112.2	M46 L48 Y75 I85 L86 K87 Q92 Q94 P95 K96 P144	M46-W89 HydrophobicContact CB-CB 3.92Å; M46-W89 HydrophobicContact CB-CG 4.34Å; M46-W89 HydrophobicContact CE-CB 4.46Å; M46-W89 HydrophobicContact CG-CB 4.37Å; L48-W89 HydrophobicContact CB-CZ2 3.75Å; L48-W89 HydrophobicContact CD2-CH2 4.35Å; L48-W89 HydrophobicContact CD2-CZ2 4.03Å; Y75-W89 HydrophobicContact CD2-CZ3 4.06Å; I85-W89 WeakPolarHBondContact O-CB 3.36Å; I85-W89 PolarHBondContact O-N 3.29Å; L86-W89 HydrophobicContact CD1-CE3 4.03Å; L86-W89 HydrophobicContact CD1-CZ3 4.35Å; L86-W89 PolarHBondContact O-N 2.89Å; L86-W89 VanDerWaalsContact O-N 3.16Å; K87-W89 PolarHBondContact O-N 3.44Å; W89-Q92 PolarHBondContact O-N 3.4Å; W89-Q94 HydrophobicContact CD2-CB 3.8Å; W89-Q94 VanDerWaalsContact CE2-CA 3.47Å; W89-Q94 HydrophobicContact CE3-CB 3.87Å; W89-Q94 HydrophobicContact CH2-CB 3.77Å; W89-Q94 HydrophobicContact CZ2-CB 3.66Å; W89-Q94 HydrophobicContact CZ3-CB 3.85Å; W89-Q94 VanDerWaalsContact NE1-C 3.33Å; W89-Q94 WeakPolarHBondContact O-CA 3.45Å; W89-Q94 PolarHBondContact O-N 3.17Å; W89-P95 PolarHBondContact NE1-O 2.73Å; W89-K96 HydrophobicContact CZ2-CG 4.07Å; W89-P144 HydrophobicContact CB-CB 3.72Å; W89-P144 HydrophobicContact CB-CG 4.27Å; W89-P144 HydrophobicContact CD2-CB 3.47Å; W89-P144 VanDerWaalsContact CD2-CB 3.47Å; W89-P144 HydrophobicContact CD2-CG 3.85Å; W89-P144 HydrophobicContact CE3-CB 4Å; W89-P144 HydrophobicContact CE3-CG 3.82Å; W89-P144 HydrophobicContact CG-CB 3.35Å; W89-P144 HydrophobicContact CG-CG 4.1Å; W89-P144 HydrophobicContact CZ3-CG 4.39Å
90	E	95.7	Very high	95.6	Very high	57 Å²	57	57.1 Å²	57.1	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-45.5	174.4	-72.3	-178.6	152	0	0	111.8	Y75 L86 K87 Q92 G93	Y75-E90 VanDerWaalsContact CE2-OE1 3.31Å; Y75-E90 WeakPolarHBondContact CE2-OE1 3.21Å; Y75-E90 PolarHBondContact OH-OE1 2.72Å; Y75-E90 VanDerWaalsContact OH-OE1 3.09Å; L86-E90 HydrophobicContact CD1-CG 4.06Å; L86-E90 HydrophobicContact CG-CG 4.49Å; L86-E90 WeakPolarHBondContact O-CG 3.44Å; L86-E90 PolarHBondContact O-N 2.7Å; K87-E90 PolarHBondContact O-N 2.91Å; E90-Q92 PolarHBondContact O-N 3.34Å; E90-G93 PolarHBondContact O-N 3.35Å
91	D	95.1	Very high	96	Very high	122 Å²	122	50.7 Å²	50.7	65%	0.652	27%	0.268	S	S	*	.	H	α-helix	trans	-60.8	-25.9	177.6	-72.2	-16.9	0	0	0	112.4	K87 G93	K87-D91 WeakPolarHBondContact O-CB 3.47Å; K87-D91 VanDerWaalsContact O-CG 3.22Å; K87-D91 PolarHBondContact O-N 3.07Å; D91-G93 VanDerWaalsContact C-N 3.32Å
92	Q	96.6	Very high	96.2	Very high	85 Å²	85	48.6 Å²	48.6	40%	0.397	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	10.7	176.8	-70.3	-179.8	39.9	0	0	113.6	G44 A88 W89 E90	G44-Q92 PolarHBondContact O-NE2 3.39Å; A88-Q92 VanDerWaalsContact O-CG 3.25Å; A88-Q92 WeakPolarHBondContact O-CG 3.44Å; A88-Q92 PolarHBondContact O-N 2.95Å; A88-Q92 PolarHBondContact O-NE2 3.14Å; W89-Q92 PolarHBondContact O-N 3.4Å; E90-Q92 PolarHBondContact O-N 3.34Å
93	G	96.8	Very high	96.4	Very high	58 Å²	58	46.2 Å²	46.2	60%	0.598	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	25.6	-178	0	0	0	0	0	113.1	E90 D91	E90-G93 PolarHBondContact O-N 3.35Å; D91-G93 VanDerWaalsContact C-N 3.32Å
94	Q	97.4	Very high	96.6	Very high	92 Å²	92	48.8 Å²	48.8	43%	0.43	26%	0.259	S	S	.	.			trans	47.2	54.6	170.6	42	168.8	-57.4	0	0	114	W89 K96	W89-Q94 HydrophobicContact CD2-CB 3.8Å; W89-Q94 VanDerWaalsContact CE2-CA 3.47Å; W89-Q94 HydrophobicContact CE3-CB 3.87Å; W89-Q94 HydrophobicContact CH2-CB 3.77Å; W89-Q94 HydrophobicContact CZ2-CB 3.66Å; W89-Q94 HydrophobicContact CZ3-CB 3.85Å; W89-Q94 VanDerWaalsContact NE1-C 3.33Å; W89-Q94 WeakPolarHBondContact O-CA 3.45Å; W89-Q94 PolarHBondContact O-N 3.17Å; Q94-K96 WeakPolarHBondContact O-CG 3.45Å; Q94-K96 PolarHBondContact O-NZ 3.08Å
95	P	98.1	Very high	96.7	Very high	45 Å²	45	54 Å²	54	29%	0.292	28%	0.282	S	S	.	.			trans	-62.8	135.8	-174.9	25.4	-35.3	0	0	0	112.2	M46 L48 W89	M46-P95 WeakPolarHBondContact O-CG 3.44Å; L48-P95 PolarHBondContact N-O 2.92Å; W89-P95 PolarHBondContact NE1-O 2.73Å
96	K	98.4	Very high	96.8	Very high	90 Å²	90	57 Å²	57	39%	0.391	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.7	-178.9	-54.9	177.1	-172.1	63.2	0	109.4	L48 W89 Q94	L48-K96 HydrophobicContact CB-CG 4.33Å; L48-K96 HydrophobicContact CD2-CD 4.21Å; L48-K96 HydrophobicContact CD2-CG 4.09Å; L48-K96 CarbonylContact O-C 3.58Å; L48-K96 VanDerWaalsContact O-CA 3.28Å; L48-K96 WeakPolarHBondContact O-CA 3.33Å; W89-K96 HydrophobicContact CZ2-CG 4.07Å; Q94-K96 WeakPolarHBondContact O-CG 3.45Å; Q94-K96 PolarHBondContact O-NZ 3.08Å
97	I	98.1	Very high	96.9	Very high	64 Å²	64	57 Å²	57	33%	0.328	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.2	177.4	-56.7	-179.5	0	0	0	108.6	K47 L48 V49 L50 L99 L159	K47-I97 HydrophobicContact CD-CD1 3.91Å; L48-I97 PolarHBondContact O-N 3.45Å; V49-I97 CarbonylContact C-O 3.53Å; V49-I97 WeakPolarHBondContact CA-O 3.24Å; V49-I97 HydrophobicContact CG2-CB 4.32Å; L50-I97 PolarHBondContact N-O 2.82Å; I97-L99 HydrophobicContact CG2-CD2 3.83Å; I97-L99 HydrophobicContact CG2-CG 4.17Å; I97-L159 HydrophobicContact CG2-CD2 3.75Å
98	V	98.4	Very high	97.1	Very high	48 Å²	48	56.5 Å²	56.5	29%	0.291	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.8	177.9	-168.9	0	0	0	0	109.4	L50 V52 L160	L50-V98 HydrophobicContact CB-CG2 4.44Å; L50-V98 HydrophobicContact CD1-CG2 4.42Å; L50-V98 CarbonylContact O-C 3.58Å; L50-V98 VanDerWaalsContact O-CA 3.31Å; L50-V98 WeakPolarHBondContact O-CA 3.43Å; V52-V98 HydrophobicContact CG2-CG1 3.63Å; V98-L160 HydrophobicContact CB-CB 4.42Å; V98-L160 HydrophobicContact CG1-CB 3.85Å; V98-L160 HydrophobicContact CG1-CD2 3.77Å; V98-L160 HydrophobicContact CG1-CG 4.44Å; V98-L160 PolarHBondContact O-N 2.6Å; V98-L160 VanDerWaalsContact O-N 3.16Å
99	L	98.6	Very high	97.2	Very high	11 Å²	11	63.1 Å²	63.1	6%	0.058	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	171.9	179	-57.7	177.2	0	0	0	109.7	V49 L50 I51 V52 I97 L157 K158 L159	V49-L99 HydrophobicContact CG1-CB 4.45Å; V49-L99 HydrophobicContact CG1-CD1 3.35Å; V49-L99 HydrophobicContact CG1-CG 3.89Å; V49-L99 HydrophobicContact CG2-CD1 4.37Å; L50-L99 PolarHBondContact O-N 3.17Å; I51-L99 HydrophobicContact CG1-CB 4.33Å; V52-L99 PolarHBondContact N-O 3.36Å; I97-L99 HydrophobicContact CG2-CD2 3.83Å; I97-L99 HydrophobicContact CG2-CG 4.17Å; L99-L157 HydrophobicContact CB-CB 4.13Å; L99-L157 HydrophobicContact CB-CD1 4.39Å; L99-L157 HydrophobicContact CD1-CB 3.95Å; L99-L157 HydrophobicContact CD1-CD1 4.23Å; L99-L157 HydrophobicContact CG-CB 4.45Å; L99-K158 CarbonylContact C-O 3.6Å; L99-K158 WeakPolarHBondContact CA-O 3.46Å; L99-L159 HydrophobicContact CD2-CD2 3.92Å
100	K	98.2	Very high	97.2	Very high	56 Å²	56	63.8 Å²	63.8	24%	0.243	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.1	176	65.4	169	-176.7	165.6	0	113.6	V52 K158 L160	V52-K100 VanDerWaalsContact O-CA 3.27Å; V52-K100 WeakPolarHBondContact O-CA 3.46Å; K100-K158 HydrophobicContact CG-CB 4.43Å; K100-K158 PolarHBondContact N-O 3.14Å; K100-L160 HydrophobicContact CB-CD1 4.02Å
101	V	98.2	Very high	97.3	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.3	165.9	-70.4	0	0	0	0	109.1	I51 V52 R53 S54 E106 M107 L110 L157	I51-V101 HydrophobicContact CG2-CB 4.17Å; I51-V101 HydrophobicContact CG2-CG1 3.52Å; I51-V101 HydrophobicContact CG2-CG2 3.72Å; V52-V101 PolarHBondContact O-N 2.82Å; R53-V101 HydrophobicContact CG-CG2 4.05Å; S54-V101 WeakPolarHBondContact CB-O 3.48Å; S54-V101 PolarHBondContact N-O 2.84Å; V101-E106 HydrophobicContact CB-CB 4.12Å; V101-E106 HydrophobicContact CG1-CB 4.22Å; V101-M107 HydrophobicContact CG2-CB 4.14Å; V101-M107 HydrophobicContact CG2-CE 4.29Å; V101-L110 HydrophobicContact CG1-CD1 3.54Å; V101-L157 HydrophobicContact CG1-CD1 4.17Å; V101-L157 HydrophobicContact CG1-CD2 4.03Å
102	D	96.5	Very high	97.5	Very high	93 Å²	93	60.6 Å²	60.6	50%	0.497	31%	0.312	S	S	.	.	S	Bend	trans	-102.3	3.3	-172.9	-63.7	-33.7	0	0	0	112.8	S54 D55 E106	S54-D102 PolarHBondContact OG-OD1 3.4Å; D55-D102 WeakPolarHBondContact CB-O 3.26Å; D102-E106 PolarHBondContact N-OE2 3.03Å
103	S	96	Very high	97.6	Very high	23 Å²	23	60.9 Å²	60.9	16%	0.161	31%	0.312	C	S	.	.			trans	-155.8	163.5	179.2	65.2	0	0	0	0	113.2	E105 E106 M107	S103-E105 WeakPolarHBondContact CB-OE2 3.39Å; S103-E106 WeakPolarHBondContact OG-CB 3.28Å; S103-E106 VanDerWaalsContact OG-CG 3.26Å; S103-E106 WeakPolarHBondContact OG-CG 3.32Å; S103-E106 PolarHBondContact OG-N 2.86Å; S103-E106 PolarHBondContact OG-OE1 2.77Å; S103-M107 PolarHBondContact O-N 3.21Å
104	Y	95.3	Very high	97.7	Very high	81 Å²	81	58.1 Å²	58.1	32%	0.318	28%	0.284	S	S	.	.	H	α-helix	trans	-70.8	-35.7	173.2	175.6	-122.5	0	0	0	111.5	E106 M107 L108 A137	Y104-E106 VanDerWaalsContact C-N 3.34Å; Y104-E106 PolarHBondContact O-N 3.01Å; Y104-M107 WeakPolarHBondContact O-CB 3.34Å; Y104-M107 PolarHBondContact O-N 2.91Å; Y104-M107 VanDerWaalsContact O-N 3.15Å; Y104-L108 HydrophobicContact CD1-CD1 4Å; Y104-L108 HydrophobicContact CD1-CG 4.41Å; Y104-L108 HydrophobicContact CD2-CG 4.26Å; Y104-L108 HydrophobicContact CE1-CD1 3.4Å; Y104-L108 VanDerWaalsContact CE1-CD1 3.4Å; Y104-L108 HydrophobicContact CE1-CG 3.97Å; Y104-L108 HydrophobicContact CE2-CD1 4.16Å; Y104-L108 HydrophobicContact CE2-CD2 3.89Å; Y104-L108 HydrophobicContact CE2-CG 3.78Å; Y104-L108 VanDerWaalsContact CZ-CD1 3.5Å; Y104-L108 PolarHBondContact O-N 2.76Å; Y104-A137 HydrophobicContact CD2-CB 3.69Å; Y104-A137 HydrophobicContact CE2-CB 3.45Å; Y104-A137 VanDerWaalsContact CE2-CB 3.45Å
105	E	96.2	Very high	97.7	Very high	116 Å²	116	60.1 Å²	60.1	54%	0.542	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-38.8	-179.4	-64	73.1	-164.6	0	0	111.3	S103 K109	S103-E105 WeakPolarHBondContact CB-OE2 3.39Å; E105-K109 VanDerWaalsContact O-CG 3.31Å; E105-K109 WeakPolarHBondContact O-CG 3.38Å; E105-K109 PolarHBondContact O-N 2.71Å; E105-K109 VanDerWaalsContact O-N 3.16Å
106	E	97.1	Very high	97.7	Very high	78 Å²	78	62.5 Å²	62.5	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-43.5	171.1	-78.8	168.9	-132.7	0	0	112.1	V101 D102 S103 Y104 L108 K109 L110	V101-E106 HydrophobicContact CB-CB 4.12Å; V101-E106 HydrophobicContact CG1-CB 4.22Å; D102-E106 PolarHBondContact N-OE2 3.03Å; S103-E106 WeakPolarHBondContact OG-CB 3.28Å; S103-E106 VanDerWaalsContact OG-CG 3.26Å; S103-E106 WeakPolarHBondContact OG-CG 3.32Å; S103-E106 PolarHBondContact OG-N 2.86Å; S103-E106 PolarHBondContact OG-OE1 2.77Å; Y104-E106 VanDerWaalsContact C-N 3.34Å; Y104-E106 PolarHBondContact O-N 3.01Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 3.11Å; E106-K109 PolarHBondContact O-N 3.3Å; E106-L110 WeakPolarHBondContact O-CD1 3.28Å; E106-L110 VanDerWaalsContact O-CG 3.3Å; E106-L110 WeakPolarHBondContact O-CG 3.39Å; E106-L110 PolarHBondContact O-N 2.97Å; E106-L110 VanDerWaalsContact O-N 3.14Å
107	M	98	Very high	97.6	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-46.3	176.7	179.5	177	-81.7	0	0	111.6	I51 R53 V101 S103 Y104 L110 S111 I123 A137 L140	I51-M107 WeakPolarHBondContact O-CE 3.41Å; R53-M107 HydrophobicContact CB-CE 4.38Å; R53-M107 HydrophobicContact CG-CE 3.62Å; R53-M107 HydrophobicContact CG-SD 4.35Å; V101-M107 HydrophobicContact CG2-CB 4.14Å; V101-M107 HydrophobicContact CG2-CE 4.29Å; S103-M107 PolarHBondContact O-N 3.21Å; Y104-M107 WeakPolarHBondContact O-CB 3.34Å; Y104-M107 PolarHBondContact O-N 2.91Å; Y104-M107 VanDerWaalsContact O-N 3.15Å; M107-L110 PolarHBondContact O-N 3.22Å; M107-S111 PolarHBondContact O-N 2.91Å; M107-I123 HydrophobicContact SD-CG2 4.28Å; M107-A137 HydrophobicContact SD-CB 4.23Å; M107-L140 HydrophobicContact CE-CB 3.97Å; M107-L140 HydrophobicContact CG-CB 3.72Å; M107-L140 HydrophobicContact CG-CD2 4.05Å; M107-L140 HydrophobicContact CG-CG 4.49Å; M107-L140 WeakPolarHBondContact O-CD2 3.44Å; M107-L140 HydrophobicContact SD-CB 4.03Å
108	L	97.1	Very high	97.5	Very high	53 Å²	53	62.2 Å²	62.2	28%	0.277	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-46.7	178.2	-76.5	-177.2	0	0	0	112	Y104 E106 L110 S111 D112 I123	Y104-L108 HydrophobicContact CD1-CD1 4Å; Y104-L108 HydrophobicContact CD1-CG 4.41Å; Y104-L108 HydrophobicContact CD2-CG 4.26Å; Y104-L108 HydrophobicContact CE1-CD1 3.4Å; Y104-L108 VanDerWaalsContact CE1-CD1 3.4Å; Y104-L108 HydrophobicContact CE1-CG 3.97Å; Y104-L108 HydrophobicContact CE2-CD1 4.16Å; Y104-L108 HydrophobicContact CE2-CD2 3.89Å; Y104-L108 HydrophobicContact CE2-CG 3.78Å; Y104-L108 VanDerWaalsContact CZ-CD1 3.5Å; Y104-L108 PolarHBondContact O-N 2.76Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 3.11Å; L108-L110 PolarHBondContact O-N 3.09Å; L108-S111 WeakPolarHBondContact O-CB 3.44Å; L108-S111 PolarHBondContact O-N 3.38Å; L108-D112 PolarHBondContact O-N 3.3Å; L108-I123 HydrophobicContact CD2-CD1 3.83Å
109	K	97.9	Very high	97.5	Very high	147 Å²	147	60.6 Å²	60.6	64%	0.639	32%	0.32	S	S	*	.	H	α-helix	trans	-56.6	-36.3	176.5	-72.2	170.7	-175.6	175.5	0	112.7	E105 E106 K113	E105-K109 VanDerWaalsContact O-CG 3.31Å; E105-K109 WeakPolarHBondContact O-CG 3.38Å; E105-K109 PolarHBondContact O-N 2.71Å; E105-K109 VanDerWaalsContact O-N 3.16Å; E106-K109 PolarHBondContact O-N 3.3Å; K109-K113 VanDerWaalsContact O-CB 3.23Å; K109-K113 WeakPolarHBondContact O-CB 2.94Å; K109-K113 PolarHBondContact O-N 2.92Å; K109-K113 VanDerWaalsContact O-N 3.07Å
110	L	98.5	Very high	97.5	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.099	32%	0.319	C	S	.	.	H	α-helix	trans	-72.4	-38.2	177.3	-66.2	162.9	0	0	0	111.9	I51 V101 E106 M107 L108 K113 A114 L140 V153 L157	I51-L110 HydrophobicContact CD1-CD1 4.17Å; I51-L110 HydrophobicContact CG2-CD1 4.4Å; V101-L110 HydrophobicContact CG1-CD1 3.54Å; E106-L110 WeakPolarHBondContact O-CD1 3.28Å; E106-L110 VanDerWaalsContact O-CG 3.3Å; E106-L110 WeakPolarHBondContact O-CG 3.39Å; E106-L110 PolarHBondContact O-N 2.97Å; E106-L110 VanDerWaalsContact O-N 3.14Å; M107-L110 PolarHBondContact O-N 3.22Å; L108-L110 PolarHBondContact O-N 3.09Å; L110-K113 PolarHBondContact O-N 2.97Å; L110-A114 WeakPolarHBondContact O-CB 3.28Å; L110-A114 PolarHBondContact O-N 2.87Å; L110-L140 HydrophobicContact CB-CD2 3.94Å; L110-V153 HydrophobicContact CB-CG1 4.19Å; L110-V153 HydrophobicContact CD2-CG1 3.87Å; L110-V153 WeakPolarHBondContact CD2-O 3.26Å; L110-V153 WeakPolarHBondContact O-CG1 3.43Å; L110-L157 HydrophobicContact CD1-CD1 3.72Å; L110-L157 HydrophobicContact CD1-CD2 4.32Å; L110-L157 HydrophobicContact CD2-CD1 4.42Å
111	S	98.1	Very high	97.5	Very high	12 Å²	12	58.9 Å²	58.9	8%	0.084	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-49.9	174.4	-177.5	0	0	0	0	111	M107 L108 K113 A114 E115 N121	M107-S111 PolarHBondContact O-N 2.91Å; L108-S111 WeakPolarHBondContact O-CB 3.44Å; L108-S111 PolarHBondContact O-N 3.38Å; S111-K113 VanDerWaalsContact C-N 3.28Å; S111-K113 PolarHBondContact O-N 3.4Å; S111-A114 WeakPolarHBondContact O-CB 3.24Å; S111-A114 PolarHBondContact O-N 2.87Å; S111-A114 VanDerWaalsContact O-N 3.09Å; S111-E115 PolarHBondContact O-N 3.48Å; S111-N121 PolarHBondContact OG-OD1 3.02Å
112	D	98.2	Very high	97.4	Very high	99 Å²	99	59.7 Å²	59.7	53%	0.529	32%	0.319	S	S	.	.	H	α-helix	trans	-57.8	-42.4	176.2	-64.1	-17.4	0	0	0	111.3	L108 E115 S116	L108-D112 PolarHBondContact O-N 3.3Å; D112-E115 PolarHBondContact O-N 3.16Å; D112-S116 WeakPolarHBondContact O-CB 3.23Å; D112-S116 PolarHBondContact O-N 3.47Å
113	K	98.4	Very high	97.4	Very high	92 Å²	92	56.9 Å²	56.9	40%	0.4	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-40.8	177.2	-172.1	176.2	177.9	-177.3	0	111.9	K109 L110 S111 S116 L117 L152 V153	K109-K113 VanDerWaalsContact O-CB 3.23Å; K109-K113 WeakPolarHBondContact O-CB 2.94Å; K109-K113 PolarHBondContact O-N 2.92Å; K109-K113 VanDerWaalsContact O-N 3.07Å; L110-K113 PolarHBondContact O-N 2.97Å; S111-K113 VanDerWaalsContact C-N 3.28Å; S111-K113 PolarHBondContact O-N 3.4Å; K113-S116 PolarHBondContact O-N 2.9Å; K113-S116 PolarHBondContact O-OG 3.01Å; K113-L117 WeakPolarHBondContact O-CG 3.09Å; K113-L117 PolarHBondContact O-N 3.05Å; K113-L152 WeakPolarHBondContact CE-O 3.2Å; K113-L152 PolarHBondContact NZ-O 3.08Å; K113-V153 HydrophobicContact CB-CG1 4.35Å; K113-V153 HydrophobicContact CD-CG1 4.36Å; K113-V153 HydrophobicContact CG-CG1 4.43Å; K113-V153 HydrophobicContact CG-CG2 4.26Å
114	A	98.4	Very high	97.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-43.7	175.4	0	0	0	0	0	111.7	L110 S111 S116 L117 G118 L119 N121 I142 V153	L110-A114 WeakPolarHBondContact O-CB 3.28Å; L110-A114 PolarHBondContact O-N 2.87Å; S111-A114 WeakPolarHBondContact O-CB 3.24Å; S111-A114 PolarHBondContact O-N 2.87Å; S111-A114 VanDerWaalsContact O-N 3.09Å; A114-S116 VanDerWaalsContact C-N 3.34Å; A114-S116 PolarHBondContact O-N 3.47Å; A114-L117 CarbonylContact O-C 3.51Å; A114-L117 PolarHBondContact O-N 3.07Å; A114-L117 VanDerWaalsContact O-N 3.14Å; A114-G118 PolarHBondContact O-N 3.14Å; A114-L119 HydrophobicContact CB-CB 4.18Å; A114-L119 WeakPolarHBondContact O-CB 3.44Å; A114-L119 PolarHBondContact O-N 3.36Å; A114-N121 HydrophobicContact CB-CB 4.05Å; A114-I142 HydrophobicContact CB-CD1 4.14Å; A114-I142 HydrophobicContact CB-CG1 4.39Å; A114-I142 HydrophobicContact CB-CG2 4.04Å; A114-V153 HydrophobicContact CB-CG1 4.44Å; A114-V153 HydrophobicContact CB-CG2 4.34Å
115	E	97.4	Very high	97.3	Very high	134 Å²	134	57.4 Å²	57.4	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-61.2	-42.5	175.8	-173.1	170.6	-155.6	0	0	111.5	S111 D112 L117 G118	S111-E115 PolarHBondContact O-N 3.48Å; D112-E115 PolarHBondContact O-N 3.16Å; E115-L117 PolarHBondContact O-N 3.03Å; E115-G118 PolarHBondContact O-N 3.19Å
116	S	97.9	Very high	96.8	Very high	94 Å²	94	52.6 Å²	52.6	66%	0.657	29%	0.285	S	S	*	.	H	α-helix	trans	-61.1	-25	176.2	79.7	0	0	0	0	114	D112 K113 A114	D112-S116 WeakPolarHBondContact O-CB 3.23Å; D112-S116 PolarHBondContact O-N 3.47Å; K113-S116 PolarHBondContact O-N 2.9Å; K113-S116 PolarHBondContact O-OG 3.01Å; A114-S116 VanDerWaalsContact C-N 3.34Å; A114-S116 PolarHBondContact O-N 3.47Å
117	L	97.4	Very high	95.3	Very high	79 Å²	79	52.6 Å²	52.6	41%	0.414	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.8	176.4	-65.7	174.5	0	0	0	112.9	K113 A114 E115 L119 L152 V153	K113-L117 WeakPolarHBondContact O-CG 3.09Å; K113-L117 PolarHBondContact O-N 3.05Å; A114-L117 CarbonylContact O-C 3.51Å; A114-L117 PolarHBondContact O-N 3.07Å; A114-L117 VanDerWaalsContact O-N 3.14Å; E115-L117 PolarHBondContact O-N 3.03Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 HydrophobicContact CB-CD1 4.31Å; L117-L119 HydrophobicContact CB-CG 4.08Å; L117-L119 HydrophobicContact CD1-CD1 4.47Å; L117-L119 PolarHBondContact O-N 3.22Å; L117-L152 HydrophobicContact CD1-CB 3.99Å; L117-L152 HydrophobicContact CD1-CD1 4.31Å; L117-V153 HydrophobicContact CD1-CG2 3.64Å
118	G	96.6	Very high	93.3	Very high	70 Å²	70	53.4 Å²	53.4	72%	0.722	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	19.3	-177.7	0	0	0	0	0	114.2	A114 E115	A114-G118 PolarHBondContact O-N 3.14Å; E115-G118 PolarHBondContact O-N 3.19Å
119	L	97.8	Very high	91.1	Very high	13 Å²	13	59.3 Å²	59.3	7%	0.068	33%	0.332	C	S	.	.			trans	-82.9	134.6	178.8	-60.3	178	0	0	0	110.7	A114 L117 N121 I142 A145 E149 I150 V153	A114-L119 HydrophobicContact CB-CB 4.18Å; A114-L119 WeakPolarHBondContact O-CB 3.44Å; A114-L119 PolarHBondContact O-N 3.36Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 HydrophobicContact CB-CD1 4.31Å; L117-L119 HydrophobicContact CB-CG 4.08Å; L117-L119 HydrophobicContact CD1-CD1 4.47Å; L117-L119 PolarHBondContact O-N 3.22Å; L119-N121 PolarHBondContact O-N 3Å; L119-N121 PolarHBondContact O-ND2 3.27Å; L119-N121 VanDerWaalsContact O-ND2 3.17Å; L119-I142 HydrophobicContact CB-CG2 4.31Å; L119-I142 HydrophobicContact CD1-CG2 4.14Å; L119-A145 HydrophobicContact CD2-CB 3.61Å; L119-E149 HydrophobicContact CD2-CB 4.12Å; L119-I150 HydrophobicContact CD1-CG1 4.49Å; L119-V153 HydrophobicContact CD1-CG2 3.92Å
120	V	97.6	Very high	88.9	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.036	32%	0.322	C	S	.	.			trans	-55.1	129.1	166.5	166.3	0	0	0	0	108.8	C74 E77 I78 K81 I142 G143	C74-V120 HydrophobicContact CB-CG1 4.19Å; E77-V120 HydrophobicContact CB-CG1 3.92Å; E77-V120 HydrophobicContact CG-CG1 4.08Å; E77-V120 HydrophobicContact CG-CG2 4.09Å; I78-V120 HydrophobicContact CB-CG2 4.3Å; I78-V120 HydrophobicContact CD1-CB 4.37Å; I78-V120 HydrophobicContact CD1-CG2 3.63Å; K81-V120 HydrophobicContact CB-CG2 4.47Å; K81-V120 HydrophobicContact CD-CG2 3.82Å; V120-I142 WeakPolarHBondContact O-CA 3.43Å; V120-G143 WeakPolarHBondContact CG1-O 3.3Å; V120-G143 PolarHBondContact O-N 3.46Å
121	N	98.1	Very high	86.7	Confident	26 Å²	26	64.5 Å²	64.5	14%	0.139	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	147.5	175.3	74.7	96.4	0	0	0	110.9	S111 A114 L119 L140 G141 I142	S111-N121 PolarHBondContact OG-OD1 3.02Å; A114-N121 HydrophobicContact CB-CB 4.05Å; L119-N121 PolarHBondContact O-N 3Å; L119-N121 PolarHBondContact O-ND2 3.27Å; L119-N121 VanDerWaalsContact O-ND2 3.17Å; N121-L140 HydrophobicContact CB-CD1 4.13Å; N121-G141 CarbonylContact C-O 3.6Å; N121-G141 WeakPolarHBondContact CA-O 2.97Å; N121-G141 VanDerWaalsContact CB-O 3.32Å; N121-G141 WeakPolarHBondContact CB-O 3.35Å; N121-I142 HydrophobicContact CB-CG1 4.13Å
122	S	97.2	Very high	84.6	Confident	18 Å²	18	65.4 Å²	65.4	13%	0.126	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	128	-176.5	177.2	0	0	0	0	111.5	S73 L140 G141	S73-S122 WeakPolarHBondContact CB-OG 3.47Å; S73-S122 VanDerWaalsContact OG-CB 3.31Å; S73-S122 WeakPolarHBondContact OG-CB 3.43Å; S73-S122 PolarHBondContact OG-OG 3.32Å; S122-L140 CarbonylContact O-C 3.56Å; S122-L140 WeakPolarHBondContact O-CA 3.28Å; S122-G141 PolarHBondContact N-O 3.37Å; S122-G141 PolarHBondContact O-N 3.33Å
123	I	97.2	Very high	82.6	Confident	34 Å²	34	65.5 Å²	65.5	17%	0.174	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.3	175	-60.2	175.7	0	0	0	109.1	M107 L108 H125 A137 L140	M107-I123 HydrophobicContact SD-CG2 4.28Å; L108-I123 HydrophobicContact CD2-CD1 3.83Å; I123-H125 VanDerWaalsContact CG2-CE1 3.48Å; I123-H125 WeakPolarHBondContact CG2-CE1 3.3Å; I123-H125 PolarHBondContact O-CE1 3.18Å; I123-H125 PolarHBondContact O-ND1 2.65Å; I123-H125 VanDerWaalsContact O-ND1 3.08Å; I123-A137 HydrophobicContact CG2-CB 3.54Å; I123-L140 HydrophobicContact CG1-CD1 3.76Å
124	I	96.1	Very high	81.1	Confident	22 Å²	22	69.6 Å²	69.6	11%	0.113	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	133.7	174.6	-56.1	-52.7	0	0	0	109.7	H69 A70 A137 T138 V139	H69-I124 HydrophobicContact CB-CD1 4.12Å; H69-I124 HydrophobicContact CB-CG1 4.12Å; H69-I124 HydrophobicContact CB-CG2 3.92Å; A70-I124 VanDerWaalsContact CA-CG1 3.44Å; A70-I124 HydrophobicContact CB-CD1 4.38Å; A70-I124 HydrophobicContact CB-CG1 3.59Å; I124-A137 CarbonylContact O-C 3.59Å; I124-A137 WeakPolarHBondContact O-CA 3.39Å; I124-T138 PolarHBondContact O-N 3.5Å; I124-T138 PolarHBondContact O-OG1 3.38Å; I124-V139 PolarHBondContact N-O 3.32Å
125	H	93	Very high	80.3	Confident	94 Å²	94	71.8 Å²	71.8	44%	0.435	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.7	177.1	-61	79.3	0	0	0	109.2	I123 A127 G135 T136	I123-H125 VanDerWaalsContact CG2-CE1 3.48Å; I123-H125 WeakPolarHBondContact CG2-CE1 3.3Å; I123-H125 PolarHBondContact O-CE1 3.18Å; I123-H125 PolarHBondContact O-ND1 2.65Å; I123-H125 VanDerWaalsContact O-ND1 3.08Å; H125-A127 PolarHBondContact O-N 2.91Å; H125-G135 PolarHBondContact CD2-O 2.9Å; H125-T136 WeakPolarHBondContact CA-O 3.35Å
126	D	84.4	Confident	79.9	Confident	14 Å²	14	66.2 Å²	66.2	8%	0.075	39%	0.39	C	S	.	.			trans	-68.7	126	173.4	-172.4	5	0	0	0	109.8	K62 G128 T130 G135 T136 T138	K62-D126 VanDerWaalsContact CE-OD2 3.23Å; K62-D126 WeakPolarHBondContact CE-OD2 3.42Å; K62-D126 IonicContact NZ-OD2 2.71Å; K62-D126 PolarHBondContact NZ-OD2 3.43Å; D126-G128 PolarHBondContact O-N 2.91Å; D126-G128 VanDerWaalsContact O-N 3.09Å; D126-G128 PolarHBondContact OD1-N 3.46Å; D126-G128 VanDerWaalsContact OD1-N 3.11Å; D126-T130 PolarHBondContact OD2-OG1 2.79Å; D126-G135 PolarHBondContact O-N 2.64Å; D126-G135 VanDerWaalsContact O-N 3.17Å; D126-T136 PolarHBondContact N-O 3.03Å; D126-T138 HydrophobicContact CB-CG2 3.88Å
127	A	66.2	Low	79.7	Confident	79 Å²	79	61.9 Å²	61.9	65%	0.653	36%	0.36	S	S	*	.			trans	-64.2	-9.5	175.3	0	0	0	0	0	112.8	H125	H125-A127 PolarHBondContact O-N 2.91Å
128	G	55.9	Low	79.6	Confident	17 Å²	17	58.2 Å²	58.2	18%	0.175	34%	0.34	C	S	.	.	S	Bend	trans	89.9	44.5	165.7	0	0	0	0	0	114.1	D126 T130	D126-G128 PolarHBondContact O-N 2.91Å; D126-G128 VanDerWaalsContact O-N 3.09Å; D126-G128 PolarHBondContact OD1-N 3.46Å; D126-G128 VanDerWaalsContact OD1-N 3.11Å; G128-T130 VanDerWaalsContact C-N 3.3Å
129	H	50.6	Low	79.7	Confident	176 Å²	176	54.9 Å²	54.9	82%	0.815	31%	0.306	S	S	*	.			trans	-90.5	12.5	168.4	-64.5	-64.1	0	0	0	113.2
130	T	52.8	Low	79.7	Confident	70 Å²	70	54.2 Å²	54.2	43%	0.429	30%	0.303	S	S	.	.	S	Bend	trans	-139.7	179.7	-174.7	67.8	0	0	0	0	112.7	K62 D126 G128 V132	K62-T130 HydrophobicContact CD-CG2 4.44Å; K62-T130 PolarHBondContact NZ-OG1 2.91Å; D126-T130 PolarHBondContact OD2-OG1 2.79Å; G128-T130 VanDerWaalsContact C-N 3.3Å; T130-V132 PolarHBondContact O-N 2.94Å
131	Q	51.5	Low	79.8	Confident	205 Å²	205	54 Å²	54	96%	0.958	30%	0.301	S	S	*	.	S	Bend	trans	-65.1	12.4	-174.2	-59.1	177.2	1.9	0	0	115.9
132	V	55	Low	79.8	Confident	32 Å²	32	52.7 Å²	52.7	19%	0.194	29%	0.294	C	S	.	.	S	Bend	trans	-111.5	141.4	-176.3	-164.2	0	0	0	0	108.3	L56 T130 K134 T136	L56-V132 HydrophobicContact CD2-CG1 4.04Å; T130-V132 PolarHBondContact O-N 2.94Å; V132-K134 PolarHBondContact O-N 3.36Å; V132-T136 HydrophobicContact CG1-CG2 3.58Å; V132-T136 VanDerWaalsContact CG1-OG1 3.3Å; V132-T136 WeakPolarHBondContact CG1-OG1 3.32Å
133	P	55.3	Low	79.8	Confident	100 Å²	100	51.9 Å²	51.9	65%	0.649	29%	0.288	S	S	*	.			trans	-48.5	137	178.2	-29.1	35	0	0	0	112.1	G135 T136	P133-G135 PolarHBondContact O-N 3.28Å; P133-T136 WeakPolarHBondContact O-CB 3.23Å; P133-T136 PolarHBondContact O-N 2.66Å; P133-T136 PolarHBondContact O-OG1 2.85Å
134	K	66.1	Low	79.9	Confident	179 Å²	179	50.3 Å²	50.3	78%	0.778	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	135.8	178.3	-71.1	-174.2	173.6	-177.4	0	110.2	V132	V132-K134 PolarHBondContact O-N 3.36Å
135	G	81.6	Confident	80	Confident	45 Å²	45	49.6 Å²	49.6	46%	0.464	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	23.1	-179.2	0	0	0	0	0	113.8	H125 D126 P133 A137	H125-G135 PolarHBondContact CD2-O 2.9Å; D126-G135 PolarHBondContact O-N 2.64Å; D126-G135 VanDerWaalsContact O-N 3.17Å; P133-G135 PolarHBondContact O-N 3.28Å; G135-A137 PolarHBondContact O-N 3.02Å
136	T	89.8	Confident	80.2	Confident	18 Å²	18	46.7 Å²	46.7	11%	0.11	27%	0.265	C	S	.	.			trans	-73.7	123.2	173	-65.2	0	0	0	0	110.4	L56 H125 D126 V132 P133 T138	L56-T136 HydrophobicContact CD1-CG2 3.84Å; L56-T136 HydrophobicContact CD2-CG2 3.85Å; H125-T136 WeakPolarHBondContact CA-O 3.35Å; D126-T136 PolarHBondContact N-O 3.03Å; V132-T136 HydrophobicContact CG1-CG2 3.58Å; V132-T136 VanDerWaalsContact CG1-OG1 3.3Å; V132-T136 WeakPolarHBondContact CG1-OG1 3.32Å; P133-T136 WeakPolarHBondContact O-CB 3.23Å; P133-T136 PolarHBondContact O-N 2.66Å; P133-T136 PolarHBondContact O-OG1 2.85Å; T136-T138 PolarHBondContact O-N 2.85Å
137	A	94.2	Very high	80.8	Confident	3 Å²	3	46.9 Å²	46.9	3%	0.025	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.8	170	0	0	0	0	0	110.2	R53 Y104 M107 I123 I124 G135	R53-A137 VanDerWaalsContact CD-O 3.23Å; R53-A137 WeakPolarHBondContact CD-O 3.23Å; R53-A137 PolarHBondContact NH1-O 2.8Å; Y104-A137 HydrophobicContact CD2-CB 3.69Å; Y104-A137 HydrophobicContact CE2-CB 3.45Å; Y104-A137 VanDerWaalsContact CE2-CB 3.45Å; M107-A137 HydrophobicContact SD-CB 4.23Å; I123-A137 HydrophobicContact CG2-CB 3.54Å; I124-A137 CarbonylContact O-C 3.59Å; I124-A137 WeakPolarHBondContact O-CA 3.39Å; G135-A137 PolarHBondContact O-N 3.02Å
138	T	95.7	Very high	82.3	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-47.7	-172.8	52.8	0	0	0	0	112.5	R53 L56 M58 Q66 I124 D126 T136	R53-T138 PolarHBondContact N-O 2.71Å; L56-T138 HydrophobicContact CD1-CG2 4.13Å; M58-T138 HydrophobicContact SD-CG2 3.89Å; Q66-T138 HydrophobicContact CG-CG2 4.39Å; Q66-T138 PolarHBondContact OE1-OG1 3.45Å; I124-T138 PolarHBondContact O-N 3.5Å; I124-T138 PolarHBondContact O-OG1 3.38Å; D126-T138 HydrophobicContact CB-CG2 3.88Å; T136-T138 PolarHBondContact O-N 2.85Å
139	V	97.6	Very high	84.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135.5	-173	-179.4	0	0	0	0	109.6	L50 I51 V52 M58 Q66 A70 I124	L50-V139 HydrophobicContact CB-CG1 4.41Å; I51-V139 CarbonylContact O-C 3.58Å; I51-V139 VanDerWaalsContact O-CA 3.28Å; I51-V139 WeakPolarHBondContact O-CA 3.23Å; V52-V139 HydrophobicContact CG1-CG2 4.44Å; V52-V139 HydrophobicContact CG2-CG2 4.08Å; M58-V139 HydrophobicContact CE-CG2 4.48Å; Q66-V139 HydrophobicContact CB-CB 4.34Å; Q66-V139 HydrophobicContact CB-CG2 3.52Å; A70-V139 HydrophobicContact CB-CB 4.38Å; A70-V139 HydrophobicContact CB-CG1 3.74Å; I124-V139 PolarHBondContact N-O 3.32Å
140	L	98.5	Very high	86.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.8	170.6	166.1	65.9	0	0	0	108.8	L50 I51 M107 L110 N121 S122 I123 I142	L50-L140 CarbonylContact C-O 3.53Å; I51-L140 HydrophobicContact CB-CB 4.26Å; I51-L140 HydrophobicContact CD1-CD2 3.96Å; I51-L140 HydrophobicContact CD1-CG 4.32Å; I51-L140 PolarHBondContact N-O 3.42Å; I51-L140 PolarHBondContact O-N 3.42Å; M107-L140 HydrophobicContact CE-CB 3.97Å; M107-L140 HydrophobicContact CG-CB 3.72Å; M107-L140 HydrophobicContact CG-CD2 4.05Å; M107-L140 HydrophobicContact CG-CG 4.49Å; M107-L140 WeakPolarHBondContact O-CD2 3.44Å; M107-L140 HydrophobicContact SD-CB 4.03Å; L110-L140 HydrophobicContact CB-CD2 3.94Å; N121-L140 HydrophobicContact CB-CD1 4.13Å; S122-L140 CarbonylContact O-C 3.56Å; S122-L140 WeakPolarHBondContact O-CA 3.28Å; I123-L140 HydrophobicContact CG1-CD1 3.76Å; L140-I142 HydrophobicContact CD1-CG1 4.26Å; L140-I142 HydrophobicContact CD2-CD1 3.99Å; L140-I142 HydrophobicContact CD2-CG1 4.17Å; L140-I142 HydrophobicContact CG-CD1 4.31Å; L140-I142 HydrophobicContact CG-CG1 3.95Å
141	G	98.6	Very high	88.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	140	166.8	0	0	0	0	0	110.9	V49 N121 S122	V49-G141 CarbonylContact O-C 3.59Å; V49-G141 WeakPolarHBondContact O-CA 3.31Å; N121-G141 CarbonylContact C-O 3.6Å; N121-G141 WeakPolarHBondContact CA-O 2.97Å; N121-G141 VanDerWaalsContact CB-O 3.32Å; N121-G141 WeakPolarHBondContact CB-O 3.35Å; S122-G141 PolarHBondContact N-O 3.37Å; S122-G141 PolarHBondContact O-N 3.33Å
142	I	98.6	Very high	90.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123.3	172.9	-54.8	178.4	0	0	0	109.4	L48 V49 I51 A114 L119 V120 N121 L140 I150 V153	L48-I142 WeakPolarHBondContact CD1-O 3.31Å; V49-I142 PolarHBondContact N-O 2.98Å; V49-I142 PolarHBondContact O-N 2.95Å; I51-I142 HydrophobicContact CD1-CD1 3.54Å; I51-I142 HydrophobicContact CD1-CG1 4.2Å; A114-I142 HydrophobicContact CB-CD1 4.14Å; A114-I142 HydrophobicContact CB-CG1 4.39Å; A114-I142 HydrophobicContact CB-CG2 4.04Å; L119-I142 HydrophobicContact CB-CG2 4.31Å; L119-I142 HydrophobicContact CD1-CG2 4.14Å; V120-I142 WeakPolarHBondContact O-CA 3.43Å; N121-I142 HydrophobicContact CB-CG1 4.13Å; L140-I142 HydrophobicContact CD1-CG1 4.26Å; L140-I142 HydrophobicContact CD2-CD1 3.99Å; L140-I142 HydrophobicContact CD2-CG1 4.17Å; L140-I142 HydrophobicContact CG-CD1 4.31Å; L140-I142 HydrophobicContact CG-CG1 3.95Å; I142-I150 HydrophobicContact CG2-CG1 4.48Å; I142-V153 HydrophobicContact CD1-CG1 3.79Å
143	G	97.9	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.4	-160.7	-178.2	0	0	0	0	0	113.1	L48 C74 V120	L48-G143 WeakPolarHBondContact CD1-O 3.39Å; C74-G143 VanDerWaalsContact CB-O 3.3Å; C74-G143 WeakPolarHBondContact CB-O 3.47Å; V120-G143 WeakPolarHBondContact CG1-O 3.3Å; V120-G143 PolarHBondContact O-N 3.46Å
144	P	97.9	Very high	95	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-65.8	145.3	1.3	28.4	-33.9	0	0	0	112.1	K47 I78 I85 W89	K47-P144 VanDerWaalsContact O-CA 3.3Å; K47-P144 WeakPolarHBondContact O-CA 3.4Å; I78-P144 HydrophobicContact CB-CG 4.33Å; I78-P144 HydrophobicContact CG1-CG 4.09Å; I78-P144 HydrophobicContact CG2-CG 3.88Å; I85-P144 WeakPolarHBondContact CG2-O 3.3Å; W89-P144 HydrophobicContact CB-CB 3.72Å; W89-P144 HydrophobicContact CB-CG 4.27Å; W89-P144 HydrophobicContact CD2-CB 3.47Å; W89-P144 VanDerWaalsContact CD2-CB 3.47Å; W89-P144 HydrophobicContact CD2-CG 3.85Å; W89-P144 HydrophobicContact CE3-CB 4Å; W89-P144 HydrophobicContact CE3-CG 3.82Å; W89-P144 HydrophobicContact CG-CB 3.35Å; W89-P144 HydrophobicContact CG-CG 4.1Å; W89-P144 HydrophobicContact CZ3-CG 4.39Å
145	A	98	Very high	96.5	Very high	6 Å²	6	24.9 Å²	24.9	5%	0.05	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-178.9	176.6	0	0	0	0	0	110.3	M46 K47 L119 A147 I150	M46-A145 WeakPolarHBondContact CA-O 3.2Å; M46-A145 VanDerWaalsContact CE-C 3.43Å; K47-A145 PolarHBondContact N-O 2.9Å; K47-A145 PolarHBondContact O-N 3.21Å; K47-A145 VanDerWaalsContact O-N 3.12Å; L119-A145 HydrophobicContact CD2-CB 3.61Å; A145-A147 PolarHBondContact O-N 2.64Å; A145-I150 HydrophobicContact CB-CD1 3.9Å; A145-I150 HydrophobicContact CB-CG1 3.95Å
146	L	97.7	Very high	97.2	Very high	33 Å²	33	30.5 Å²	30.5	17%	0.173	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	137.4	174.9	-73.1	167	0	0	0	110.1	V42 P43 M46 S148 E149 I150	V42-L146 HydrophobicContact CG1-CD2 4.17Å; V42-L146 HydrophobicContact CG1-CG 4.45Å; P43-L146 WeakPolarHBondContact O-CD2 3.46Å; M46-L146 HydrophobicContact SD-CD2 3.73Å; M46-L146 HydrophobicContact SD-CG 4.19Å; L146-S148 PolarHBondContact O-N 3.2Å; L146-E149 HydrophobicContact CB-CB 4.41Å; L146-E149 HydrophobicContact CB-CG 4.01Å; L146-E149 PolarHBondContact O-N 3.41Å; L146-I150 PolarHBondContact O-N 3.13Å
147	A	98	Very high	97.6	Very high	18 Å²	18	31.8 Å²	31.8	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-32.5	-179.6	0	0	0	0	0	112	K45 K47 A145 N151	K45-A147 HydrophobicContact CB-CB 4.09Å; K45-A147 VanDerWaalsContact O-CB 3.24Å; K45-A147 WeakPolarHBondContact O-CB 3.42Å; K45-A147 PolarHBondContact O-N 3.46Å; K47-A147 HydrophobicContact CD-CB 4.05Å; K47-A147 HydrophobicContact CG-CB 4.1Å; A145-A147 PolarHBondContact O-N 2.64Å; A147-N151 VanDerWaalsContact O-CB 3.23Å; A147-N151 WeakPolarHBondContact O-CB 3.33Å; A147-N151 PolarHBondContact O-N 2.84Å; A147-N151 PolarHBondContact O-ND2 3.28Å; A147-N151 PolarHBondContact O-OD1 3.27Å
148	S	97.4	Very high	97.7	Very high	78 Å²	78	38.9 Å²	38.9	55%	0.545	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-42.9	173.5	48.5	0	0	0	0	112.3	L146 N151 L152	L146-S148 PolarHBondContact O-N 3.2Å; S148-N151 PolarHBondContact O-N 3.15Å; S148-L152 PolarHBondContact O-N 3.05Å
149	E	97.7	Very high	97.8	Very high	77 Å²	77	44.6 Å²	44.6	36%	0.36	25%	0.247	S	C	.	.	H	α-helix	trans	-71.3	-44.8	179.9	-62.8	174.1	147.4	0	0	111	L119 L146 N151 L152	L119-E149 HydrophobicContact CD2-CB 4.12Å; L146-E149 HydrophobicContact CB-CB 4.41Å; L146-E149 HydrophobicContact CB-CG 4.01Å; L146-E149 PolarHBondContact O-N 3.41Å; E149-N151 VanDerWaalsContact C-N 3.27Å; E149-N151 PolarHBondContact O-N 2.71Å; E149-L152 VanDerWaalsContact O-CB 3.28Å; E149-L152 WeakPolarHBondContact O-CB 3.19Å; E149-L152 PolarHBondContact O-N 3.29Å; E149-L152 VanDerWaalsContact O-N 3.07Å
150	I	98.3	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-35.8	176.9	-66.1	171.7	0	0	0	111	K47 V49 L119 I142 A145 L146 L152 V153 S154	K47-I150 HydrophobicContact CD-CG2 4.44Å; K47-I150 VanDerWaalsContact CE-CG2 3.48Å; K47-I150 HydrophobicContact CG-CB 4.42Å; K47-I150 HydrophobicContact CG-CD1 3.66Å; K47-I150 HydrophobicContact CG-CG2 4.48Å; K47-I150 WeakPolarHBondContact O-CD1 3.27Å; V49-I150 HydrophobicContact CB-CG2 4.01Å; V49-I150 HydrophobicContact CG2-CG2 3.5Å; V49-I150 VanDerWaalsContact CG2-CG2 3.5Å; L119-I150 HydrophobicContact CD1-CG1 4.49Å; I142-I150 HydrophobicContact CG2-CG1 4.48Å; A145-I150 HydrophobicContact CB-CD1 3.9Å; A145-I150 HydrophobicContact CB-CG1 3.95Å; L146-I150 PolarHBondContact O-N 3.13Å; I150-L152 PolarHBondContact O-N 3.49Å; I150-V153 PolarHBondContact O-N 3.26Å; I150-S154 PolarHBondContact O-N 3.16Å; I150-S154 PolarHBondContact O-OG 3.18Å
151	N	98.1	Very high	96.9	Very high	83 Å²	83	54.5 Å²	54.5	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-28	175.6	-77.9	-10.5	0	0	0	112.9	K47 A147 S148 E149 V153 G155	K47-N151 PolarHBondContact NZ-OD1 3.28Å; A147-N151 VanDerWaalsContact O-CB 3.23Å; A147-N151 WeakPolarHBondContact O-CB 3.33Å; A147-N151 PolarHBondContact O-N 2.84Å; A147-N151 PolarHBondContact O-ND2 3.28Å; A147-N151 PolarHBondContact O-OD1 3.27Å; S148-N151 PolarHBondContact O-N 3.15Å; E149-N151 VanDerWaalsContact C-N 3.27Å; E149-N151 PolarHBondContact O-N 2.71Å; N151-V153 PolarHBondContact O-N 2.99Å; N151-G155 WeakPolarHBondContact O-CA 3.34Å; N151-G155 PolarHBondContact O-N 3.02Å
152	L	98	Very high	96.9	Very high	104 Å²	104	57.3 Å²	57.3	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-30.2	172.8	-61	174.8	0	0	0	111.2	K113 L117 S148 E149 I150	K113-L152 WeakPolarHBondContact CE-O 3.2Å; K113-L152 PolarHBondContact NZ-O 3.08Å; L117-L152 HydrophobicContact CD1-CB 3.99Å; L117-L152 HydrophobicContact CD1-CD1 4.31Å; S148-L152 PolarHBondContact O-N 3.05Å; E149-L152 VanDerWaalsContact O-CB 3.28Å; E149-L152 WeakPolarHBondContact O-CB 3.19Å; E149-L152 PolarHBondContact O-N 3.29Å; E149-L152 VanDerWaalsContact O-N 3.07Å; I150-L152 PolarHBondContact O-N 3.49Å
153	V	98.1	Very high	96.8	Very high	8 Å²	8	60.3 Å²	60.3	5%	0.048	34%	0.342	C	S	.	.	H	α-helix	trans	-91	-52.1	179.9	-173.3	0	0	0	0	111.8	L110 K113 A114 L117 L119 I142 I150 N151	L110-V153 HydrophobicContact CB-CG1 4.19Å; L110-V153 HydrophobicContact CD2-CG1 3.87Å; L110-V153 WeakPolarHBondContact CD2-O 3.26Å; L110-V153 WeakPolarHBondContact O-CG1 3.43Å; K113-V153 HydrophobicContact CB-CG1 4.35Å; K113-V153 HydrophobicContact CD-CG1 4.36Å; K113-V153 HydrophobicContact CG-CG1 4.43Å; K113-V153 HydrophobicContact CG-CG2 4.26Å; A114-V153 HydrophobicContact CB-CG1 4.44Å; A114-V153 HydrophobicContact CB-CG2 4.34Å; L117-V153 HydrophobicContact CD1-CG2 3.64Å; L119-V153 HydrophobicContact CD1-CG2 3.92Å; I142-V153 HydrophobicContact CD1-CG1 3.79Å; I150-V153 PolarHBondContact O-N 3.26Å; N151-V153 PolarHBondContact O-N 2.99Å
154	S	97.5	Very high	96.7	Very high	4 Å²	4	63.6 Å²	63.6	3%	0.028	36%	0.361	C	S	.	.	H	α-helix	trans	-116.5	10.4	-163.6	84.1	0	0	0	0	114.3	I150 D156 L157	I150-S154 PolarHBondContact O-N 3.16Å; I150-S154 PolarHBondContact O-OG 3.18Å; S154-D156 PolarHBondContact O-N 3.45Å; S154-L157 PolarHBondContact O-N 2.95Å
155	G	96.5	Very high	96.6	Very high	42 Å²	42	67.2 Å²	67.2	43%	0.433	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-30	-172.1	0	0	0	0	0	114.5	N151	N151-G155 WeakPolarHBondContact O-CA 3.34Å; N151-G155 PolarHBondContact O-N 3.02Å
156	D	96.6	Very high	96.5	Very high	164 Å²	164	71.1 Å²	71.1	88%	0.877	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.6	-176.2	-56	-45.5	0	0	0	113.5	S154	S154-D156 PolarHBondContact O-N 3.45Å
157	L	97.8	Very high	96.5	Very high	44 Å²	44	73.6 Å²	73.6	23%	0.23	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-78.8	147.9	-178.5	-58.3	-178.5	0	0	0	111.5	I51 L99 V101 L110 S154	I51-L157 HydrophobicContact CD1-CD1 4Å; I51-L157 HydrophobicContact CG1-CD1 4.08Å; I51-L157 HydrophobicContact CG2-CD1 4.21Å; L99-L157 HydrophobicContact CB-CB 4.13Å; L99-L157 HydrophobicContact CB-CD1 4.39Å; L99-L157 HydrophobicContact CD1-CB 3.95Å; L99-L157 HydrophobicContact CD1-CD1 4.23Å; L99-L157 HydrophobicContact CG-CB 4.45Å; V101-L157 HydrophobicContact CG1-CD1 4.17Å; V101-L157 HydrophobicContact CG1-CD2 4.03Å; L110-L157 HydrophobicContact CD1-CD1 3.72Å; L110-L157 HydrophobicContact CD1-CD2 4.32Å; L110-L157 HydrophobicContact CD2-CD1 4.42Å; S154-L157 PolarHBondContact O-N 2.95Å
158	K	97.5	Very high	96.4	Very high	153 Å²	153	77.6 Å²	77.6	67%	0.665	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-83.5	150.4	177.5	-64.4	177.3	-178.3	172.9	0	110.7	L99 K100	L99-K158 CarbonylContact C-O 3.6Å; L99-K158 WeakPolarHBondContact CA-O 3.46Å; K100-K158 HydrophobicContact CG-CB 4.43Å; K100-K158 PolarHBondContact N-O 3.14Å
159	L	97.6	Very high	96.3	Very high	120 Å²	120	77.5 Å²	77.5	63%	0.628	43%	0.428	S	S	*	.	B	Isolated β-bridge	trans	-59.6	146.4	168.3	-66.5	169.8	0	0	0	110.3	I97 L99	I97-L159 HydrophobicContact CG2-CD2 3.75Å; L99-L159 HydrophobicContact CD2-CD2 3.92Å
160	L	94.5	Very high	96.2	Very high	43 Å²	43	77.6 Å²	77.6	23%	0.225	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-67	130.1	166.4	-172.1	77.1	0	0	0	108.4	V52 I63 V98 K100	V52-L160 HydrophobicContact CB-CD1 4.2Å; V52-L160 HydrophobicContact CG1-CD1 4.35Å; V52-L160 HydrophobicContact CG2-CD2 4.28Å; I63-L160 HydrophobicContact CD1-CD2 4.16Å; I63-L160 HydrophobicContact CG2-CD2 3.77Å; V98-L160 HydrophobicContact CB-CB 4.42Å; V98-L160 HydrophobicContact CG1-CB 3.85Å; V98-L160 HydrophobicContact CG1-CD2 3.77Å; V98-L160 HydrophobicContact CG1-CG 4.44Å; V98-L160 PolarHBondContact O-N 2.6Å; V98-L160 VanDerWaalsContact O-N 3.16Å; K100-L160 HydrophobicContact CB-CD1 4.02Å
161	P	83.4	Confident	96	Very high	166 Å²	166	84.6 Å²	84.6	100%	1.078	47%	0.473	S	S	*	.			trans	-68.6	0	179.7	30.9	-36.2	0	0	0	113.1

Retrieved 161 of 161 residues in 38.4 ms (Link to these results)

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