A0A5K4FGJ5_SCHMA Loading...

Cell differentiation protein RQCD1 homolog

AlphaFold DB , UniProt , Accession A0A5K4FGJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 219 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	44.4	Very low	48.8	Very low	211 Å²	211	101.3 Å²	101.3	100%	1.039	50%	0.503	S	S	*	.				0	-11.5	0	-78.1	-106.1	-83.1	0	0	113.5
2	H	49.8	Very low	49	Very low	148 Å²	148	96.1 Å²	96.1	69%	0.685	48%	0.484	S	S	*	.	H	α-helix	trans	-70.9	-40.5	176	-102	16.9	0	0	0	114.7	L6	H2-L6 WeakPolarHBondContact O-CD1 3.23Å
3	E	49.4	Very low	49.2	Very low	161 Å²	161	90.8 Å²	90.8	75%	0.752	46%	0.462	S	S	*	.	H	α-helix	trans	-77.3	-38	-168	-71.3	175.1	155	0	0	114.6	L6 L7	E3-L6 PolarHBondContact O-N 2.81Å; E3-L7 WeakPolarHBondContact O-CB 3.43Å; E3-L7 PolarHBondContact O-N 2.9Å
4	L	48.1	Very low	50	Low	116 Å²	116	91.9 Å²	91.9	61%	0.607	48%	0.475	S	S	*	.	H	α-helix	trans	-67.8	-42.9	-178.9	-104.6	137.8	0	0	0	112.3	L6 L7 L8	L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 2.78Å; L4-L7 PolarHBondContact O-N 2.81Å; L4-L8 HydrophobicContact CD2-CD1 4.42Å; L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 VanDerWaalsContact O-CD1 3.22Å; L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 WeakPolarHBondContact O-CG 3.39Å; L4-L8 PolarHBondContact O-N 2.82Å
5	G	46.1	Very low	50	Low	29 Å²	29	98.9 Å²	98.9	30%	0.299	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-37.5	178	0	0	0	0	0	113.2	V9	G5-V9 WeakPolarHBondContact O-CB 3.45Å; G5-V9 WeakPolarHBondContact O-CG2 3.43Å; G5-V9 PolarHBondContact O-N 3.4Å
6	L	48	Very low	50.5	Low	81 Å²	81	97.8 Å²	97.8	42%	0.424	50%	0.496	S	S	.	.	H	α-helix	trans	-69.1	-45.6	174.9	-81.2	161	0	0	0	111.9	H2 E3 L4 L8 V9 E10 L22	H2-L6 WeakPolarHBondContact O-CD1 3.23Å; E3-L6 PolarHBondContact O-N 2.81Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 2.78Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.19Å; L6-V9 PolarHBondContact O-N 2.72Å; L6-E10 WeakPolarHBondContact O-CB 3.43Å; L6-E10 WeakPolarHBondContact O-CG 3.43Å; L6-E10 PolarHBondContact O-N 2.84Å; L6-L22 HydrophobicContact CD2-CD2 4.05Å
7	L	50.5	Low	50.7	Low	89 Å²	89	95.8 Å²	95.8	47%	0.466	49%	0.49	S	S	.	.	H	α-helix	trans	-62.4	-37.5	177.5	-97.5	148.8	0	0	0	113.1	E3 L4 K11	E3-L7 WeakPolarHBondContact O-CB 3.43Å; E3-L7 PolarHBondContact O-N 2.9Å; L4-L7 PolarHBondContact O-N 2.81Å; L7-K11 PolarHBondContact O-N 2.85Å
8	L	47.8	Very low	50.9	Low	8 Å²	8	94.9 Å²	94.9	4%	0.042	48%	0.48	C	S	.	.	H	α-helix	trans	-65.2	-45.7	177.4	-74	165.7	0	0	0	111.2	L4 L6 K11 S12 E57 Y58 E61	L4-L8 HydrophobicContact CD2-CD1 4.42Å; L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 VanDerWaalsContact O-CD1 3.22Å; L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 WeakPolarHBondContact O-CG 3.39Å; L4-L8 PolarHBondContact O-N 2.82Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.19Å; L8-K11 PolarHBondContact O-N 2.78Å; L8-S12 PolarHBondContact O-OG 3.19Å; L8-E57 HydrophobicContact CD2-CB 3.15Å; L8-E57 HydrophobicContact CD2-CG 3.23Å; L8-E57 VanDerWaalsContact CD2-OE2 3.27Å; L8-E57 WeakPolarHBondContact CD2-OE2 3.39Å; L8-Y58 PolarHBondContact O-OH 3.33Å; L8-E61 HydrophobicContact CD1-CG 3.53Å
9	V	47.8	Very low	50.8	Low	2 Å²	2	95.9 Å²	95.9	1%	0.012	48%	0.481	C	S	.	.	H	α-helix	trans	-65.4	-38.3	177.7	161.2	0	0	0	0	112.3	G5 L6 K11 R18 L22 Y58	G5-V9 WeakPolarHBondContact O-CB 3.45Å; G5-V9 WeakPolarHBondContact O-CG2 3.43Å; G5-V9 PolarHBondContact O-N 3.4Å; L6-V9 PolarHBondContact O-N 2.72Å; V9-K11 VanDerWaalsContact C-N 3.31Å; V9-K11 PolarHBondContact O-N 2.98Å; V9-R18 HydrophobicContact CG1-CG 3.27Å; V9-R18 PolarHBondContact O-NE 2.98Å; V9-L22 HydrophobicContact CB-CD2 4.24Å; V9-L22 HydrophobicContact CB-CG 4.32Å; V9-L22 HydrophobicContact CG1-CD1 3.54Å; V9-L22 HydrophobicContact CG1-CD2 3.73Å; V9-L22 HydrophobicContact CG1-CG 3.38Å; V9-L22 HydrophobicContact CG2-CD2 4.08Å; V9-L22 HydrophobicContact CG2-CG 4.2Å; V9-Y58 WeakPolarHBondContact CA-OH 3.49Å; V9-Y58 HydrophobicContact CG2-CE1 4.4Å
10	E	51	Low	51.2	Low	115 Å²	115	96.3 Å²	96.3	54%	0.537	48%	0.484	S	S	.	.	H	α-helix	trans	-69.7	-26	-179.2	-78.9	179.4	168.2	0	0	113.6	L6 R18	L6-E10 WeakPolarHBondContact O-CB 3.43Å; L6-E10 WeakPolarHBondContact O-CG 3.43Å; L6-E10 PolarHBondContact O-N 2.84Å; E10-R18 PolarHBondContact O-NH2 3.43Å
11	K	54.5	Low	51.5	Low	154 Å²	154	93 Å²	93	67%	0.67	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.4	-171.9	-82.1	-173.1	173.2	-178.2	0	116.6	L7 L8 V9	L7-K11 PolarHBondContact O-N 2.85Å; L8-K11 PolarHBondContact O-N 2.78Å; V9-K11 VanDerWaalsContact C-N 3.31Å; V9-K11 PolarHBondContact O-N 2.98Å
12	S	50.7	Low	51.9	Low	39 Å²	39	86 Å²	86	27%	0.273	43%	0.434	S	S	.	.	S	Bend	trans	-149.6	16.6	-152.2	55.1	0	0	0	0	118.1	L8 Y58	L8-S12 PolarHBondContact O-OG 3.19Å; S12-Y58 WeakPolarHBondContact OG-CE2 3.26Å; S12-Y58 PolarHBondContact OG-OH 3.31Å
13	S	52.2	Low	52.3	Low	28 Å²	28	83.4 Å²	83.4	20%	0.196	42%	0.423	C	S	.	.			trans	-158.8	151.5	169.8	55.9	0	0	0	0	114.7	R18	S13-R18 PolarHBondContact O-NH2 3.32Å; S13-R18 PolarHBondContact OG-N 3.26Å
14	T	59.2	Low	52.8	Low	105 Å²	105	78 Å²	78	64%	0.644	41%	0.405	S	S	*	.			trans	-60.1	150.5	172.3	43	0	0	0	0	111.2	P16 V17 R18	T14-P16 VanDerWaalsContact O-CD 3.29Å; T14-P16 WeakPolarHBondContact O-CD 3.47Å; T14-V17 PolarHBondContact O-N 2.94Å; T14-R18 PolarHBondContact O-N 3.36Å
15	Y	51.1	Low	53.5	Low	198 Å²	198	75.6 Å²	75.6	78%	0.776	39%	0.39	S	S	*	.	H	α-helix	trans	-46.8	-35.4	-166.9	-169.7	-107.3	0	0	0	117.3
16	P	56.9	Low	54.1	Low	80 Å²	80	79.6 Å²	79.6	52%	0.519	40%	0.401	S	S	.	.	H	α-helix	trans	-74.8	-34.2	177.5	0.1	11.8	0	0	0	113.5	T14 N20	T14-P16 VanDerWaalsContact O-CD 3.29Å; T14-P16 WeakPolarHBondContact O-CD 3.47Å; P16-N20 VanDerWaalsContact O-CG 3.27Å; P16-N20 PolarHBondContact O-N 3.49Å; P16-N20 PolarHBondContact O-ND2 2.89Å
17	V	53.8	Low	54.6	Low	65 Å²	65	80.1 Å²	80.1	39%	0.394	40%	0.403	S	S	.	.	H	α-helix	trans	-75.1	-37.4	-176	177.8	0	0	0	0	110.5	T14 N20 L21	T14-V17 PolarHBondContact O-N 2.94Å; V17-N20 PolarHBondContact O-N 3.27Å; V17-L21 HydrophobicContact CG1-CD1 3.9Å; V17-L21 WeakPolarHBondContact O-CB 3.19Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 3.32Å
18	R	54.2	Low	54.9	Low	80 Å²	80	76.8 Å²	76.8	30%	0.302	39%	0.386	S	S	.	.	H	α-helix	trans	-57.8	-48	174.4	-168.9	-177.9	-65.4	-159.9	-6.5	112.3	V9 E10 S13 T14 L22	V9-R18 HydrophobicContact CG1-CG 3.27Å; V9-R18 PolarHBondContact O-NE 2.98Å; E10-R18 PolarHBondContact O-NH2 3.43Å; S13-R18 PolarHBondContact O-NH2 3.32Å; S13-R18 PolarHBondContact OG-N 3.26Å; T14-R18 PolarHBondContact O-N 3.36Å; R18-L22 HydrophobicContact CG-CD1 4.31Å; R18-L22 WeakPolarHBondContact O-CB 3.32Å; R18-L22 WeakPolarHBondContact O-CG 3.41Å; R18-L22 PolarHBondContact O-N 3.2Å
19	K	50.7	Low	55.3	Low	114 Å²	114	84.6 Å²	84.6	50%	0.496	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-47.2	179.6	-175.9	178.4	173.4	-178.5	0	111.4	L21 L22 E23	K19-L21 VanDerWaalsContact C-N 3.35Å; K19-L21 PolarHBondContact O-N 2.96Å; K19-L22 PolarHBondContact O-N 2.84Å; K19-E23 WeakPolarHBondContact CE-OE1 3.4Å; K19-E23 IonicContact NZ-OE1 3.92Å; K19-E23 WeakPolarHBondContact O-CB 3.48Å; K19-E23 WeakPolarHBondContact O-CG 3.49Å; K19-E23 PolarHBondContact O-N 3.45Å
20	N	57.6	Low	55.6	Low	102 Å²	102	89.2 Å²	89.2	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-65.5	-36.6	-179.2	-68	-12.2	0	0	0	112.7	P16 V17 A24	P16-N20 VanDerWaalsContact O-CG 3.27Å; P16-N20 PolarHBondContact O-N 3.49Å; P16-N20 PolarHBondContact O-ND2 2.89Å; V17-N20 PolarHBondContact O-N 3.27Å; N20-A24 WeakPolarHBondContact O-CB 3.25Å; N20-A24 PolarHBondContact O-N 3.26Å
21	L	57.5	Low	55.6	Low	29 Å²	29	86.5 Å²	86.5	15%	0.152	43%	0.427	C	S	.	.	H	α-helix	trans	-70.1	-43.9	175.5	-79.2	166	0	0	0	111.6	V17 K19 A24 F25 Y58	V17-L21 HydrophobicContact CG1-CD1 3.9Å; V17-L21 WeakPolarHBondContact O-CB 3.19Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 3.32Å; K19-L21 VanDerWaalsContact C-N 3.35Å; K19-L21 PolarHBondContact O-N 2.96Å; L21-A24 PolarHBondContact O-N 3.08Å; L21-F25 HydrophobicContact CB-CD2 4.35Å; L21-F25 HydrophobicContact CB-CE2 4.18Å; L21-F25 HydrophobicContact CD2-CE2 4.05Å; L21-F25 WeakPolarHBondContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CD2 3.45Å; L21-F25 WeakPolarHBondContact O-CG 3.33Å; L21-F25 PolarHBondContact O-N 3.41Å; L21-Y58 HydrophobicContact CD1-CE1 4Å
22	L	53.7	Low	55.6	Low	63 Å²	63	84.4 Å²	84.4	33%	0.33	42%	0.417	S	S	.	.	H	α-helix	trans	-59.5	-47.3	174.5	-81.5	168.4	0	0	0	112.2	L6 V9 R18 K19 A24 F25 H26	L6-L22 HydrophobicContact CD2-CD2 4.05Å; V9-L22 HydrophobicContact CB-CD2 4.24Å; V9-L22 HydrophobicContact CB-CG 4.32Å; V9-L22 HydrophobicContact CG1-CD1 3.54Å; V9-L22 HydrophobicContact CG1-CD2 3.73Å; V9-L22 HydrophobicContact CG1-CG 3.38Å; V9-L22 HydrophobicContact CG2-CD2 4.08Å; V9-L22 HydrophobicContact CG2-CG 4.2Å; R18-L22 HydrophobicContact CG-CD1 4.31Å; R18-L22 WeakPolarHBondContact O-CB 3.32Å; R18-L22 WeakPolarHBondContact O-CG 3.41Å; R18-L22 PolarHBondContact O-N 3.2Å; K19-L22 PolarHBondContact O-N 2.84Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 2.96Å; L22-F25 PolarHBondContact O-N 3.36Å; L22-H26 WeakPolarHBondContact O-CB 3.17Å; L22-H26 PolarHBondContact O-N 3.4Å
23	E	57.4	Low	55.6	Low	94 Å²	94	86.8 Å²	86.8	44%	0.439	44%	0.439	S	S	.	.	H	α-helix	trans	-62.7	-41.3	177.3	-75	174.4	178.5	0	0	110.8	K19 H26 L27	K19-E23 WeakPolarHBondContact CE-OE1 3.4Å; K19-E23 IonicContact NZ-OE1 3.92Å; K19-E23 WeakPolarHBondContact O-CB 3.48Å; K19-E23 WeakPolarHBondContact O-CG 3.49Å; K19-E23 PolarHBondContact O-N 3.45Å; E23-H26 PolarHBondContact O-N 3.04Å; E23-L27 VanDerWaalsContact O-CB 3.29Å; E23-L27 WeakPolarHBondContact O-CB 3.49Å; E23-L27 WeakPolarHBondContact O-CD1 3.28Å; E23-L27 WeakPolarHBondContact O-CG 3.47Å; E23-L27 PolarHBondContact O-N 2.98Å
24	A	60.8	Low	55.6	Low	46 Å²	46	89.2 Å²	89.2	38%	0.38	46%	0.456	S	S	.	.	H	α-helix	trans	-64.1	-46	175.8	0	0	0	0	0	112.5	N20 L21 L22 H26 L27 L28	N20-A24 WeakPolarHBondContact O-CB 3.25Å; N20-A24 PolarHBondContact O-N 3.26Å; L21-A24 PolarHBondContact O-N 3.08Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 2.96Å; A24-H26 VanDerWaalsContact C-N 3.34Å; A24-H26 PolarHBondContact O-N 3.45Å; A24-L27 PolarHBondContact O-N 3.31Å; A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 WeakPolarHBondContact O-CD1 3.35Å; A24-L28 WeakPolarHBondContact O-CG 3.42Å; A24-L28 PolarHBondContact O-N 2.82Å
25	F	61.8	Low	55.2	Low	66 Å²	66	89.9 Å²	89.9	29%	0.289	46%	0.456	S	S	.	.	H	α-helix	trans	-66.2	-35.6	176.8	-72.8	-59.5	0	0	0	112.4	L21 L22 L28 Y29 I65	L21-F25 HydrophobicContact CB-CD2 4.35Å; L21-F25 HydrophobicContact CB-CE2 4.18Å; L21-F25 HydrophobicContact CD2-CE2 4.05Å; L21-F25 WeakPolarHBondContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CD2 3.45Å; L21-F25 WeakPolarHBondContact O-CG 3.33Å; L21-F25 PolarHBondContact O-N 3.41Å; L22-F25 PolarHBondContact O-N 3.36Å; F25-L28 HydrophobicContact CD1-CD1 4.1Å; F25-L28 WeakPolarHBondContact O-CB 3.39Å; F25-L28 PolarHBondContact O-N 2.99Å; F25-Y29 PolarHBondContact O-N 2.87Å; F25-Y29 VanDerWaalsContact O-N 3.12Å; F25-I65 HydrophobicContact CD1-CD1 3.91Å; F25-I65 HydrophobicContact CE1-CD1 3.52Å
26	H	58.7	Low	55.4	Low	114 Å²	114	89 Å²	89	53%	0.528	46%	0.459	S	S	.	.	H	α-helix	trans	-67.9	-46.4	175.7	-166.8	69.7	0	0	0	111.5	L22 E23 A24 L28 Y29 Q30	L22-H26 WeakPolarHBondContact O-CB 3.17Å; L22-H26 PolarHBondContact O-N 3.4Å; E23-H26 PolarHBondContact O-N 3.04Å; A24-H26 VanDerWaalsContact C-N 3.34Å; A24-H26 PolarHBondContact O-N 3.45Å; H26-L28 VanDerWaalsContact C-N 3.33Å; H26-L28 PolarHBondContact O-N 3.5Å; H26-Y29 PolarHBondContact O-N 3.43Å; H26-Q30 PolarHBondContact NE2-NE2 2.98Å; H26-Q30 WeakPolarHBondContact O-CG 3.31Å; H26-Q30 PolarHBondContact O-N 3.18Å
27	L	59.5	Low	55.6	Low	92 Å²	92	88.4 Å²	88.4	48%	0.482	45%	0.454	S	S	.	.	H	α-helix	trans	-60.8	-40.1	173.5	-86.3	155.5	0	0	0	111.9	E23 A24 Y29 Q30 L31	E23-L27 VanDerWaalsContact O-CB 3.29Å; E23-L27 WeakPolarHBondContact O-CB 3.49Å; E23-L27 WeakPolarHBondContact O-CD1 3.28Å; E23-L27 WeakPolarHBondContact O-CG 3.47Å; E23-L27 PolarHBondContact O-N 2.98Å; A24-L27 PolarHBondContact O-N 3.31Å; L27-Y29 VanDerWaalsContact C-N 3.34Å; L27-Y29 PolarHBondContact O-N 3.15Å; L27-Q30 PolarHBondContact O-N 3.44Å; L27-L31 VanDerWaalsContact O-CB 3.32Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 WeakPolarHBondContact O-CD1 3.47Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 3.16Å
28	L	55.9	Low	56.1	Low	19 Å²	19	86.4 Å²	86.4	10%	0.099	44%	0.44	C	S	.	.	H	α-helix	trans	-60.1	-42.4	176.4	-80.6	166.2	0	0	0	113.1	A24 F25 H26 K32 Y38 I42 I65	A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 WeakPolarHBondContact O-CD1 3.35Å; A24-L28 WeakPolarHBondContact O-CG 3.42Å; A24-L28 PolarHBondContact O-N 2.82Å; F25-L28 HydrophobicContact CD1-CD1 4.1Å; F25-L28 WeakPolarHBondContact O-CB 3.39Å; F25-L28 PolarHBondContact O-N 2.99Å; H26-L28 VanDerWaalsContact C-N 3.33Å; H26-L28 PolarHBondContact O-N 3.5Å; L28-K32 PolarHBondContact O-N 2.79Å; L28-Y38 HydrophobicContact CD2-CD1 4.26Å; L28-Y38 HydrophobicContact CD2-CE1 4.44Å; L28-I42 HydrophobicContact CD2-CB 3.91Å; L28-I42 HydrophobicContact CD2-CD1 3.44Å; L28-I42 VanDerWaalsContact CD2-CD1 3.44Å; L28-I42 HydrophobicContact CD2-CG1 3.58Å; L28-I42 HydrophobicContact CD2-CG2 3.17Å; L28-I42 HydrophobicContact CG-CD1 4.12Å; L28-I42 HydrophobicContact CG-CG1 4.23Å; L28-I42 HydrophobicContact CG-CG2 4.45Å; L28-I65 HydrophobicContact CD1-CD1 4.34Å
29	Y	56.8	Low	57	Low	171 Å²	171	85.1 Å²	85.1	67%	0.671	44%	0.441	S	S	*	.	H	α-helix	trans	-70.9	-39.9	178.5	-171.7	-99.3	0	0	0	111.5	F25 H26 L27	F25-Y29 PolarHBondContact O-N 2.87Å; F25-Y29 VanDerWaalsContact O-N 3.12Å; H26-Y29 PolarHBondContact O-N 3.43Å; L27-Y29 VanDerWaalsContact C-N 3.34Å; L27-Y29 PolarHBondContact O-N 3.15Å
30	Q	54.5	Low	58.4	Low	99 Å²	99	82.8 Å²	82.8	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-67.2	-41.6	176.7	-73.8	179.1	-22.3	0	0	112.6	H26 L27 K32 A33	H26-Q30 PolarHBondContact NE2-NE2 2.98Å; H26-Q30 WeakPolarHBondContact O-CG 3.31Å; H26-Q30 PolarHBondContact O-N 3.18Å; L27-Q30 PolarHBondContact O-N 3.44Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.38Å; Q30-A33 WeakPolarHBondContact O-CB 3.31Å; Q30-A33 PolarHBondContact O-N 3.36Å; Q30-A33 VanDerWaalsContact O-N 3.1Å
31	L	51.3	Low	59.2	Low	59 Å²	59	82.3 Å²	82.3	31%	0.309	43%	0.434	S	S	.	.	H	α-helix	trans	-67.1	-32.6	-179.9	-75.2	163.3	0	0	0	112.8	L27 A33 S34 D35 P39 I42	L27-L31 VanDerWaalsContact O-CB 3.32Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 WeakPolarHBondContact O-CD1 3.47Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 3.16Å; L31-A33 PolarHBondContact O-N 2.87Å; L31-S34 PolarHBondContact O-N 3.44Å; L31-S34 PolarHBondContact O-OG 2.88Å; L31-D35 PolarHBondContact O-N 3.38Å; L31-P39 HydrophobicContact CD1-CG 4.01Å; L31-I42 HydrophobicContact CD1-CD1 3.59Å
32	K	53	Low	60	Low	109 Å²	109	82.2 Å²	82.2	47%	0.474	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.1	174	-153.2	-164	-177.8	-164.3	0	112.8	L28 Q30 Y38 L68	L28-K32 PolarHBondContact O-N 2.79Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.38Å; K32-Y38 VanDerWaalsContact CD-OH 3.26Å; K32-Y38 WeakPolarHBondContact CD-OH 3.46Å; K32-Y38 VanDerWaalsContact CE-OH 3.28Å; K32-Y38 WeakPolarHBondContact CE-OH 3.24Å; K32-L68 HydrophobicContact CD-CD2 4.32Å
33	A	50.6	Low	61.5	Low	89 Å²	89	79.2 Å²	79.2	74%	0.736	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-11.9	179.5	0	0	0	0	0	113.2	Q30 L31	Q30-A33 WeakPolarHBondContact O-CB 3.31Å; Q30-A33 PolarHBondContact O-N 3.36Å; Q30-A33 VanDerWaalsContact O-N 3.1Å; L31-A33 PolarHBondContact O-N 2.87Å
34	S	53.3	Low	62.8	Low	79 Å²	79	79 Å²	79	55%	0.552	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-29.7	-169.6	58.8	0	0	0	0	115.6	L31	L31-S34 PolarHBondContact O-N 3.44Å; L31-S34 PolarHBondContact O-OG 2.88Å
35	D	50.4	Low	63.8	Low	120 Å²	120	83 Å²	83	64%	0.642	43%	0.426	S	S	*	.			trans	-153.4	129.7	177.8	-85.5	-50	0	0	0	108.9	L31 T37	L31-D35 PolarHBondContact O-N 3.38Å; D35-T37 PolarHBondContact O-N 2.83Å
36	E	55.7	Low	64.9	Low	178 Å²	178	80.3 Å²	80.3	83%	0.832	42%	0.415	S	S	*	.	S	Bend	trans	-63.6	28	-173.3	-59.7	-178.6	153.1	0	0	115.2
37	T	59.9	Low	66.4	Low	68 Å²	68	75.5 Å²	75.5	42%	0.417	39%	0.393	S	S	.	.			trans	-140	124.2	-179.8	65.8	0	0	0	0	112.2	D35 P39 K74	D35-T37 PolarHBondContact O-N 2.83Å; T37-P39 WeakPolarHBondContact O-CD 3.38Å; T37-K74 HydrophobicContact CG2-CD 4.22Å
38	Y	65.4	Low	67.6	Low	24 Å²	24	73.4 Å²	73.4	9%	0.094	38%	0.384	C	S	.	.			trans	-70.5	127.7	168.9	-68.7	-87.8	0	0	0	110.7	L28 K32 I42 L68 I69	L28-Y38 HydrophobicContact CD2-CD1 4.26Å; L28-Y38 HydrophobicContact CD2-CE1 4.44Å; K32-Y38 VanDerWaalsContact CD-OH 3.26Å; K32-Y38 WeakPolarHBondContact CD-OH 3.46Å; K32-Y38 VanDerWaalsContact CE-OH 3.28Å; K32-Y38 WeakPolarHBondContact CE-OH 3.24Å; Y38-I42 HydrophobicContact CD1-CG2 4.16Å; Y38-L68 WeakPolarHBondContact OH-CD2 3.44Å; Y38-I69 HydrophobicContact CD1-CD1 4.29Å; Y38-I69 HydrophobicContact CD1-CG1 3.98Å; Y38-I69 HydrophobicContact CD2-CB 4.34Å; Y38-I69 HydrophobicContact CD2-CG1 3.57Å; Y38-I69 HydrophobicContact CD2-CG2 4.45Å; Y38-I69 HydrophobicContact CE1-CG1 4.11Å; Y38-I69 HydrophobicContact CE2-CG1 3.71Å; Y38-I69 HydrophobicContact CG-CD1 4.27Å; Y38-I69 HydrophobicContact CG-CG1 3.69Å
39	P	71.8	Confident	69	Low	52 Å²	52	73.8 Å²	73.8	34%	0.338	39%	0.388	S	S	.	.			trans	-55.4	141.9	171.6	-28.4	35.7	0	0	0	112.3	L31 T37 V41 I42 I43	L31-P39 HydrophobicContact CD1-CG 4.01Å; T37-P39 WeakPolarHBondContact O-CD 3.38Å; P39-V41 PolarHBondContact O-N 3.33Å; P39-I42 HydrophobicContact CB-CD1 4.18Å; P39-I42 HydrophobicContact CG-CD1 3.89Å; P39-I42 VanDerWaalsContact O-CB 3.27Å; P39-I42 WeakPolarHBondContact O-CB 3.23Å; P39-I42 PolarHBondContact O-N 3.03Å; P39-I43 PolarHBondContact O-N 3.43Å
40	L	81.1	Confident	70.5	Confident	66 Å²	66	65.8 Å²	65.8	35%	0.346	36%	0.357	S	S	.	.	H	α-helix	trans	-57.8	-37.9	-178.4	-173.3	68	0	0	0	112.5	I42 I43 E44 N78 L82	L40-I42 PolarHBondContact O-N 3.38Å; L40-I43 PolarHBondContact O-N 3.26Å; L40-I43 VanDerWaalsContact O-N 3.12Å; L40-E44 PolarHBondContact O-N 2.93Å; L40-N78 HydrophobicContact CD1-CB 3.84Å; L40-L82 HydrophobicContact CD1-CD1 3.54Å; L40-L82 HydrophobicContact CD1-CD2 4.41Å; L40-L82 HydrophobicContact CD1-CG 4.05Å; L40-L82 HydrophobicContact CG-CD1 4.11Å
41	V	75	Confident	72	Confident	91 Å²	91	64.9 Å²	64.9	55%	0.552	36%	0.358	S	S	*	.	H	α-helix	trans	-58.1	-37.4	177.7	178.4	0	0	0	0	111.5	P39 E44 K45	P39-V41 PolarHBondContact O-N 3.33Å; V41-E44 PolarHBondContact O-N 3.46Å; V41-K45 HydrophobicContact CG1-CG 4.42Å; V41-K45 VanDerWaalsContact O-CG 3.29Å; V41-K45 WeakPolarHBondContact O-CG 3.28Å; V41-K45 PolarHBondContact O-N 2.92Å
42	I	74	Confident	73.5	Confident	28 Å²	28	66.1 Å²	66.1	14%	0.144	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-48.7	177.1	-89.5	162.8	0	0	0	110.3	L28 L31 Y38 P39 L40 E44 K45 T46	L28-I42 HydrophobicContact CD2-CB 3.91Å; L28-I42 HydrophobicContact CD2-CD1 3.44Å; L28-I42 VanDerWaalsContact CD2-CD1 3.44Å; L28-I42 HydrophobicContact CD2-CG1 3.58Å; L28-I42 HydrophobicContact CD2-CG2 3.17Å; L28-I42 HydrophobicContact CG-CD1 4.12Å; L28-I42 HydrophobicContact CG-CG1 4.23Å; L28-I42 HydrophobicContact CG-CG2 4.45Å; L31-I42 HydrophobicContact CD1-CD1 3.59Å; Y38-I42 HydrophobicContact CD1-CG2 4.16Å; P39-I42 HydrophobicContact CB-CD1 4.18Å; P39-I42 HydrophobicContact CG-CD1 3.89Å; P39-I42 VanDerWaalsContact O-CB 3.27Å; P39-I42 WeakPolarHBondContact O-CB 3.23Å; P39-I42 PolarHBondContact O-N 3.03Å; L40-I42 PolarHBondContact O-N 3.38Å; I42-E44 VanDerWaalsContact C-N 3.28Å; I42-E44 PolarHBondContact O-N 3.3Å; I42-K45 PolarHBondContact O-N 3.3Å; I42-T46 PolarHBondContact O-N 3.42Å; I42-T46 PolarHBondContact O-OG1 3.5Å
43	I	84.7	Confident	75	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61	-44.2	-178.2	-53.8	179.1	0	0	0	109.3	P39 L40 T46 I47 L66 I69 N78 I79 L82	P39-I43 PolarHBondContact O-N 3.43Å; L40-I43 PolarHBondContact O-N 3.26Å; L40-I43 VanDerWaalsContact O-N 3.12Å; I43-T46 PolarHBondContact O-N 3Å; I43-I47 HydrophobicContact CG2-CD1 3.93Å; I43-I47 VanDerWaalsContact O-CG1 3.3Å; I43-I47 WeakPolarHBondContact O-CG1 3.12Å; I43-I47 PolarHBondContact O-N 3.42Å; I43-L66 HydrophobicContact CG2-CD2 4.24Å; I43-I69 HydrophobicContact CD1-CG2 3.9Å; I43-I69 HydrophobicContact CG1-CD1 4.19Å; I43-I69 HydrophobicContact CG1-CG2 4.22Å; I43-N78 HydrophobicContact CD1-CB 3.46Å; I43-N78 VanDerWaalsContact CD1-CB 3.46Å; I43-I79 HydrophobicContact CG2-CG1 3.75Å; I43-L82 HydrophobicContact CB-CD1 3.88Å; I43-L82 HydrophobicContact CG2-CD1 3.81Å
44	E	85.8	Confident	76.2	Confident	89 Å²	89	65.4 Å²	65.4	42%	0.416	36%	0.363	S	S	.	.	H	α-helix	trans	-59.6	-47.6	176.7	-174	-173.4	173.8	0	0	112.4	L40 V41 I42 I47 T48 L82	L40-E44 PolarHBondContact O-N 2.93Å; V41-E44 PolarHBondContact O-N 3.46Å; I42-E44 VanDerWaalsContact C-N 3.28Å; I42-E44 PolarHBondContact O-N 3.3Å; E44-I47 PolarHBondContact O-N 2.88Å; E44-T48 PolarHBondContact O-N 2.93Å; E44-T48 PolarHBondContact O-OG1 3.47Å; E44-L82 HydrophobicContact CB-CD1 3.94Å; E44-L82 HydrophobicContact CB-CD2 4.44Å
45	K	80.7	Confident	77.5	Confident	129 Å²	129	64.5 Å²	64.5	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-65.3	-40	177.4	-67.2	-58.8	179.4	-165.8	0	111.9	V41 I42 T48 C49	V41-K45 HydrophobicContact CG1-CG 4.42Å; V41-K45 VanDerWaalsContact O-CG 3.29Å; V41-K45 WeakPolarHBondContact O-CG 3.28Å; V41-K45 PolarHBondContact O-N 2.92Å; I42-K45 PolarHBondContact O-N 3.3Å; K45-T48 WeakPolarHBondContact O-CB 3.49Å; K45-T48 PolarHBondContact O-N 2.84Å; K45-C49 PolarHBondContact O-N 2.91Å; K45-C49 PolarHBondContact O-SG 3.45Å; K45-C49 VanDerWaalsContact O-SG 3.34Å
46	T	85	Confident	79.1	Confident	10 Å²	10	62.1 Å²	62.1	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-40.5	176.2	-49.5	0	0	0	0	111.8	I42 I43 T48 C49 A62 I65 L66	I42-T46 PolarHBondContact O-N 3.42Å; I42-T46 PolarHBondContact O-OG1 3.5Å; I43-T46 PolarHBondContact O-N 3Å; T46-T48 VanDerWaalsContact C-N 3.33Å; T46-T48 PolarHBondContact O-N 3.2Å; T46-C49 WeakPolarHBondContact O-CB 3.3Å; T46-C49 PolarHBondContact O-N 3.32Å; T46-A62 HydrophobicContact CG2-CB 3.79Å; T46-A62 VanDerWaalsContact CG2-O 3.29Å; T46-A62 WeakPolarHBondContact CG2-O 3.08Å; T46-I65 HydrophobicContact CG2-CB 4.15Å; T46-I65 HydrophobicContact CG2-CG2 4.04Å; T46-L66 HydrophobicContact CG2-CD1 4.1Å; T46-L66 HydrophobicContact CG2-CD2 4.05Å; T46-L66 HydrophobicContact CG2-CG 3.65Å
47	I	89.7	Confident	80.2	Confident	13 Å²	13	57 Å²	57	7%	0.067	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-41.9	173.1	-70.3	165.8	0	0	0	110.7	I43 E44 C49 L50 L66 L82 A87	I43-I47 HydrophobicContact CG2-CD1 3.93Å; I43-I47 VanDerWaalsContact O-CG1 3.3Å; I43-I47 WeakPolarHBondContact O-CG1 3.12Å; I43-I47 PolarHBondContact O-N 3.42Å; E44-I47 PolarHBondContact O-N 2.88Å; I47-C49 VanDerWaalsContact C-N 3.27Å; I47-C49 PolarHBondContact O-N 2.6Å; I47-L50 WeakPolarHBondContact O-CB 3.32Å; I47-L50 PolarHBondContact O-N 3.07Å; I47-L66 HydrophobicContact CG1-CD1 4.2Å; I47-L66 HydrophobicContact CG1-CD2 3.91Å; I47-L82 HydrophobicContact CD1-CB 3.57Å; I47-L82 HydrophobicContact CD1-CD1 4.33Å; I47-A87 HydrophobicContact CG2-CB 3.87Å
48	T	85.5	Confident	80.9	Confident	49 Å²	49	54.1 Å²	54.1	30%	0.301	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-37.9	176.9	-55.2	0	0	0	0	111.5	E44 K45 T46 L50 T51 L52	E44-T48 PolarHBondContact O-N 2.93Å; E44-T48 PolarHBondContact O-OG1 3.47Å; K45-T48 WeakPolarHBondContact O-CB 3.49Å; K45-T48 PolarHBondContact O-N 2.84Å; T46-T48 VanDerWaalsContact C-N 3.33Å; T46-T48 PolarHBondContact O-N 3.2Å; T48-L50 PolarHBondContact O-N 3.15Å; T48-T51 PolarHBondContact O-N 3.15Å; T48-T51 PolarHBondContact O-OG1 3.29Å; T48-L52 HydrophobicContact CG2-CD1 4.09Å; T48-L52 HydrophobicContact CG2-CG 4.18Å; T48-L52 WeakPolarHBondContact O-CG 3.47Å; T48-L52 PolarHBondContact O-N 3.24Å; T48-L52 VanDerWaalsContact O-N 3.16Å
49	C	84.2	Confident	81.9	Confident	26 Å²	26	54.5 Å²	54.5	18%	0.176	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-29.2	175.3	-66.8	0	0	0	0	113.3	K45 T46 I47 T51 L54 A62	K45-C49 PolarHBondContact O-N 2.91Å; K45-C49 PolarHBondContact O-SG 3.45Å; K45-C49 VanDerWaalsContact O-SG 3.34Å; T46-C49 WeakPolarHBondContact O-CB 3.3Å; T46-C49 PolarHBondContact O-N 3.32Å; I47-C49 VanDerWaalsContact C-N 3.27Å; I47-C49 PolarHBondContact O-N 2.6Å; C49-T51 VanDerWaalsContact C-N 3.34Å; C49-L54 HydrophobicContact CB-CD1 3.97Å; C49-A62 HydrophobicContact CB-CB 3.95Å
50	L	89.2	Confident	82.7	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-71.1	-30.9	177.5	-55.9	-172.7	0	0	0	112.5	I47 T48 K59 A62 L63 L66 A87 L91	I47-L50 WeakPolarHBondContact O-CB 3.32Å; I47-L50 PolarHBondContact O-N 3.07Å; T48-L50 PolarHBondContact O-N 3.15Å; L50-K59 PolarHBondContact O-NZ 2.67Å; L50-A62 HydrophobicContact CD2-CB 3.72Å; L50-L63 HydrophobicContact CD1-CD2 3.93Å; L50-L63 HydrophobicContact CD2-CD2 3.99Å; L50-L63 HydrophobicContact CD2-CG 3.82Å; L50-L66 HydrophobicContact CD1-CD1 3.6Å; L50-L66 HydrophobicContact CG-CD1 4.19Å; L50-A87 HydrophobicContact CB-CB 4.26Å; L50-A87 HydrophobicContact CD1-CB 4.36Å; L50-L91 HydrophobicContact CB-CD2 4.37Å; L50-L91 HydrophobicContact CD2-CD2 3.98Å
51	T	86.8	Confident	82.7	Confident	80 Å²	80	51.5 Å²	51.5	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-88.1	-23.2	-176.6	65.9	0	0	0	0	113.1	T48 C49 A87	T48-T51 PolarHBondContact O-N 3.15Å; T48-T51 PolarHBondContact O-OG1 3.29Å; C49-T51 VanDerWaalsContact C-N 3.34Å; T51-A87 HydrophobicContact CG2-CB 3.83Å
52	L	82.4	Confident	83.2	Confident	86 Å²	86	47.4 Å²	47.4	45%	0.45	26%	0.255	S	S	.	.	S	Bend	trans	-72.4	157.2	177.1	-67.7	174.9	0	0	0	112.9	T48 L54 K59	T48-L52 HydrophobicContact CG2-CD1 4.09Å; T48-L52 HydrophobicContact CG2-CG 4.18Å; T48-L52 WeakPolarHBondContact O-CG 3.47Å; T48-L52 PolarHBondContact O-N 3.24Å; T48-L52 VanDerWaalsContact O-N 3.16Å; L52-L54 HydrophobicContact CB-CD1 4.27Å; L52-L54 HydrophobicContact CB-CG 3.91Å; L52-L54 PolarHBondContact O-N 3.35Å; L52-K59 WeakPolarHBondContact O-CE 3.42Å; L52-K59 PolarHBondContact O-NZ 3.38Å
53	S	84.3	Confident	84	Confident	129 Å²	129	46 Å²	46	90%	0.902	25%	0.248	S	C	*	.	S	Bend	trans	-77.5	60.9	174	-58.7	0	0	0	0	111.8
54	L	75.8	Confident	84.1	Confident	53 Å²	53	49.2 Å²	49.2	28%	0.277	26%	0.262	S	S	.	.			trans	-94.6	160.1	175.6	-58.2	177.3	0	0	0	111.4	C49 L52 Y58 K59	C49-L54 HydrophobicContact CB-CD1 3.97Å; L52-L54 HydrophobicContact CB-CD1 4.27Å; L52-L54 HydrophobicContact CB-CG 3.91Å; L52-L54 PolarHBondContact O-N 3.35Å; L54-Y58 HydrophobicContact CB-CD2 4.29Å; L54-K59 HydrophobicContact CB-CG 4.44Å; L54-K59 WeakPolarHBondContact O-CE 3.48Å
55	T	80.1	Confident	84	Confident	60 Å²	60	46.3 Å²	46.3	37%	0.368	25%	0.249	S	C	.	.			trans	-58.1	152.5	170.8	61.6	0	0	0	0	110.9	E57 Y58 K59	T55-E57 PolarHBondContact O-N 2.94Å; T55-E57 VanDerWaalsContact O-N 3.17Å; T55-E57 WeakPolarHBondContact OG1-CB 3.47Å; T55-Y58 PolarHBondContact O-N 2.93Å; T55-Y58 VanDerWaalsContact O-N 3.12Å; T55-Y58 WeakPolarHBondContact OG1-CD2 3.4Å; T55-K59 PolarHBondContact O-N 3.48Å
56	H	83.3	Confident	84.4	Confident	71 Å²	71	40.1 Å²	40.1	33%	0.329	22%	0.222	S	C	.	.	H	α-helix	trans	-56.1	-35.3	177.9	62.8	-107.6	0	0	0	111.3	Y58 K59 L60 E96 L99	H56-Y58 PolarHBondContact O-N 2.95Å; H56-K59 PolarHBondContact O-N 3.11Å; H56-K59 VanDerWaalsContact O-N 3.14Å; H56-L60 WeakPolarHBondContact O-CB 3.42Å; H56-L60 PolarHBondContact O-N 3.12Å; H56-E96 IonicContact CE1-OE2 3.7Å; H56-E96 IonicContact CG-OE2 2.72Å; H56-E96 IonicContact ND1-OE1 2.82Å; H56-E96 IonicContact ND1-OE2 3.66Å; H56-E96 PolarHBondContact ND1-OE2 3.28Å; H56-E96 VanDerWaalsContact ND1-OE2 3.16Å; H56-L99 HydrophobicContact CB-CD1 3.97Å; H56-L99 HydrophobicContact CB-CD2 4.29Å; H56-L99 HydrophobicContact CB-CG 4.15Å; H56-L99 WeakPolarHBondContact O-CD2 3.48Å
57	E	79.5	Confident	84.7	Confident	69 Å²	69	41.6 Å²	41.6	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-47	-50.6	172.3	-98.8	-171.5	-177.9	0	0	113.9	L8 T55 L60 E61	L8-E57 HydrophobicContact CD2-CB 3.15Å; L8-E57 HydrophobicContact CD2-CG 3.23Å; L8-E57 VanDerWaalsContact CD2-OE2 3.27Å; L8-E57 WeakPolarHBondContact CD2-OE2 3.39Å; T55-E57 PolarHBondContact O-N 2.94Å; T55-E57 VanDerWaalsContact O-N 3.17Å; T55-E57 WeakPolarHBondContact OG1-CB 3.47Å; E57-L60 WeakPolarHBondContact O-CB 3.25Å; E57-E61 PolarHBondContact O-N 3.32Å
58	Y	75.9	Confident	84.4	Confident	9 Å²	9	44.3 Å²	44.3	4%	0.035	24%	0.244	C	C	.	.	H	α-helix	trans	-71.8	-39.4	174.6	-75.6	-68.3	0	0	0	113.5	L8 V9 S12 L21 L54 T55 H56 L60 E61 A62	L8-Y58 PolarHBondContact O-OH 3.33Å; V9-Y58 WeakPolarHBondContact CA-OH 3.49Å; V9-Y58 HydrophobicContact CG2-CE1 4.4Å; S12-Y58 WeakPolarHBondContact OG-CE2 3.26Å; S12-Y58 PolarHBondContact OG-OH 3.31Å; L21-Y58 HydrophobicContact CD1-CE1 4Å; L54-Y58 HydrophobicContact CB-CD2 4.29Å; T55-Y58 PolarHBondContact O-N 2.93Å; T55-Y58 VanDerWaalsContact O-N 3.12Å; T55-Y58 WeakPolarHBondContact OG1-CD2 3.4Å; H56-Y58 PolarHBondContact O-N 2.95Å; Y58-L60 PolarHBondContact O-N 2.86Å; Y58-E61 PolarHBondContact O-N 2.88Å; Y58-A62 PolarHBondContact O-N 2.85Å
59	K	86.5	Confident	84.4	Confident	31 Å²	31	42 Å²	42	14%	0.135	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-34.7	179.7	-64.4	-169.5	179.4	-163.6	0	110.9	L50 L52 L54 T55 H56 A62 L63 L91 L99	L50-K59 PolarHBondContact O-NZ 2.67Å; L52-K59 WeakPolarHBondContact O-CE 3.42Å; L52-K59 PolarHBondContact O-NZ 3.38Å; L54-K59 HydrophobicContact CB-CG 4.44Å; L54-K59 WeakPolarHBondContact O-CE 3.48Å; T55-K59 PolarHBondContact O-N 3.48Å; H56-K59 PolarHBondContact O-N 3.11Å; H56-K59 VanDerWaalsContact O-N 3.14Å; K59-A62 PolarHBondContact O-N 3.38Å; K59-L63 WeakPolarHBondContact O-CB 3.45Å; K59-L63 VanDerWaalsContact O-CG 3.27Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 3.33Å; K59-L91 HydrophobicContact CB-CD2 4.35Å; K59-L91 HydrophobicContact CD-CD1 3.68Å; K59-L91 HydrophobicContact CD-CD2 4.29Å; K59-L99 HydrophobicContact CB-CD1 3.96Å; K59-L99 HydrophobicContact CB-CD2 4.27Å; K59-L99 HydrophobicContact CD-CD1 4.28Å
60	L	86.7	Confident	84.7	Confident	28 Å²	28	40.7 Å²	40.7	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-49	174.7	179.8	62.9	0	0	0	111.5	H56 E57 Y58 L63 K64 L99 Y102	H56-L60 WeakPolarHBondContact O-CB 3.42Å; H56-L60 PolarHBondContact O-N 3.12Å; E57-L60 WeakPolarHBondContact O-CB 3.25Å; Y58-L60 PolarHBondContact O-N 2.86Å; L60-L63 PolarHBondContact O-N 3.29Å; L60-K64 WeakPolarHBondContact O-CG 3.25Å; L60-K64 PolarHBondContact O-N 3.43Å; L60-L99 HydrophobicContact CB-CD2 3.81Å; L60-L99 HydrophobicContact CD1-CD2 4.36Å; L60-Y102 HydrophobicContact CD1-CD1 4.01Å; L60-Y102 HydrophobicContact CD1-CD2 3.34Å; L60-Y102 HydrophobicContact CD1-CE1 3.94Å; L60-Y102 HydrophobicContact CD1-CE2 3.29Å; L60-Y102 HydrophobicContact CD1-CG 3.72Å
61	E	81.5	Confident	84.7	Confident	28 Å²	28	46 Å²	46	13%	0.131	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-39.5	177.5	-67.3	-53.2	131.4	0	0	112.1	L8 E57 Y58 L63 K64 I65	L8-E61 HydrophobicContact CD1-CG 3.53Å; E57-E61 PolarHBondContact O-N 3.32Å; Y58-E61 PolarHBondContact O-N 2.88Å; E61-L63 PolarHBondContact O-N 2.68Å; E61-K64 PolarHBondContact O-N 3.16Å; E61-K64 IonicContact OE1-NZ 2.71Å; E61-K64 PolarHBondContact OE1-NZ 2.88Å; E61-I65 WeakPolarHBondContact O-CG1 3.48Å; E61-I65 PolarHBondContact O-N 3.46Å
62	A	85.5	Confident	84.7	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-44.5	173.3	0	0	0	0	0	112.1	T46 C49 L50 Y58 K59 I65 L66	T46-A62 HydrophobicContact CG2-CB 3.79Å; T46-A62 VanDerWaalsContact CG2-O 3.29Å; T46-A62 WeakPolarHBondContact CG2-O 3.08Å; C49-A62 HydrophobicContact CB-CB 3.95Å; L50-A62 HydrophobicContact CD2-CB 3.72Å; Y58-A62 PolarHBondContact O-N 2.85Å; K59-A62 PolarHBondContact O-N 3.38Å; A62-I65 PolarHBondContact O-N 2.91Å; A62-L66 WeakPolarHBondContact O-CG 3.22Å; A62-L66 PolarHBondContact O-N 3.32Å
63	L	90.8	Very high	84.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-40.3	176.1	-73.5	167.6	0	0	0	112.4	L50 K59 L60 E61 I65 L66 L67 T88 L91 L99 L106	L50-L63 HydrophobicContact CD1-CD2 3.93Å; L50-L63 HydrophobicContact CD2-CD2 3.99Å; L50-L63 HydrophobicContact CD2-CG 3.82Å; K59-L63 WeakPolarHBondContact O-CB 3.45Å; K59-L63 VanDerWaalsContact O-CG 3.27Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 3.33Å; L60-L63 PolarHBondContact O-N 3.29Å; E61-L63 PolarHBondContact O-N 2.68Å; L63-I65 VanDerWaalsContact C-N 3.35Å; L63-L66 PolarHBondContact O-N 3.46Å; L63-L67 WeakPolarHBondContact O-CB 3.49Å; L63-L67 PolarHBondContact O-N 3.32Å; L63-T88 HydrophobicContact CD2-CG2 4.34Å; L63-L91 HydrophobicContact CD1-CD2 3.94Å; L63-L91 HydrophobicContact CD2-CD2 4.42Å; L63-L91 HydrophobicContact CG-CD2 4.37Å; L63-L99 HydrophobicContact CD1-CB 4.44Å; L63-L99 HydrophobicContact CD1-CD2 4.32Å; L63-L106 HydrophobicContact CD2-CD2 4.2Å
64	K	86.9	Confident	85.1	Confident	66 Å²	66	45.3 Å²	45.3	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-42.7	176	-72.7	173.3	-175	169.2	0	111.7	L60 E61 L67 L68 Y102	L60-K64 WeakPolarHBondContact O-CG 3.25Å; L60-K64 PolarHBondContact O-N 3.43Å; E61-K64 PolarHBondContact O-N 3.16Å; E61-K64 IonicContact OE1-NZ 2.71Å; E61-K64 PolarHBondContact OE1-NZ 2.88Å; K64-L67 PolarHBondContact O-N 3.44Å; K64-L68 WeakPolarHBondContact O-CB 3.2Å; K64-L68 PolarHBondContact O-N 3.33Å; K64-Y102 HydrophobicContact CD-CE1 4.45Å; K64-Y102 HydrophobicContact CG-CD1 4.02Å; K64-Y102 HydrophobicContact CG-CE1 3.78Å
65	I	83.6	Confident	85.7	Confident	28 Å²	28	43 Å²	43	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-46.2	176.9	-70	165.8	0	0	0	110.6	F25 L28 T46 E61 A62 L63 L67 L68 I69	F25-I65 HydrophobicContact CD1-CD1 3.91Å; F25-I65 HydrophobicContact CE1-CD1 3.52Å; L28-I65 HydrophobicContact CD1-CD1 4.34Å; T46-I65 HydrophobicContact CG2-CB 4.15Å; T46-I65 HydrophobicContact CG2-CG2 4.04Å; E61-I65 WeakPolarHBondContact O-CG1 3.48Å; E61-I65 PolarHBondContact O-N 3.46Å; A62-I65 PolarHBondContact O-N 2.91Å; L63-I65 VanDerWaalsContact C-N 3.35Å; I65-L67 VanDerWaalsContact C-N 3.32Å; I65-L67 PolarHBondContact O-N 3.23Å; I65-L68 WeakPolarHBondContact O-CB 3.36Å; I65-L68 PolarHBondContact O-N 2.96Å; I65-I69 HydrophobicContact CG2-CD1 3.57Å; I65-I69 HydrophobicContact CG2-CG1 4.36Å; I65-I69 WeakPolarHBondContact O-CD1 3.4Å; I65-I69 VanDerWaalsContact O-CG1 3.27Å; I65-I69 WeakPolarHBondContact O-CG1 3.24Å; I65-I69 PolarHBondContact O-N 2.81Å
66	L	90	Very high	86.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-38.8	177.1	-70.6	168.9	0	0	0	112.3	I43 T46 I47 L50 A62 L63 L68 I69 A70 I79 L106	I43-L66 HydrophobicContact CG2-CD2 4.24Å; T46-L66 HydrophobicContact CG2-CD1 4.1Å; T46-L66 HydrophobicContact CG2-CD2 4.05Å; T46-L66 HydrophobicContact CG2-CG 3.65Å; I47-L66 HydrophobicContact CG1-CD1 4.2Å; I47-L66 HydrophobicContact CG1-CD2 3.91Å; L50-L66 HydrophobicContact CD1-CD1 3.6Å; L50-L66 HydrophobicContact CG-CD1 4.19Å; A62-L66 WeakPolarHBondContact O-CG 3.22Å; A62-L66 PolarHBondContact O-N 3.32Å; L63-L66 PolarHBondContact O-N 3.46Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.44Å; L66-I69 HydrophobicContact CD2-CD1 4.41Å; L66-I69 PolarHBondContact O-N 3.13Å; L66-A70 VanDerWaalsContact O-CB 3.23Å; L66-A70 WeakPolarHBondContact O-CB 3.4Å; L66-A70 PolarHBondContact O-N 2.92Å; L66-I79 HydrophobicContact CB-CD1 4.43Å; L66-I79 HydrophobicContact CD2-CD1 4.14Å; L66-I79 HydrophobicContact CD2-CG1 4.06Å; L66-I79 WeakPolarHBondContact O-CD1 3.41Å; L66-L106 HydrophobicContact CB-CD1 4.42Å; L66-L106 HydrophobicContact CB-CD2 3.8Å; L66-L106 HydrophobicContact CD1-CD2 4.25Å
67	L	90.1	Very high	86.7	Confident	40 Å²	40	44 Å²	44	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-36.3	175.8	-174.9	63.7	0	0	0	112.1	L63 K64 I65 Q71 N105	L63-L67 WeakPolarHBondContact O-CB 3.49Å; L63-L67 PolarHBondContact O-N 3.32Å; K64-L67 PolarHBondContact O-N 3.44Å; I65-L67 VanDerWaalsContact C-N 3.32Å; I65-L67 PolarHBondContact O-N 3.23Å; L67-Q71 PolarHBondContact O-N 3.4Å; L67-Q71 PolarHBondContact O-NE2 3.41Å; L67-Q71 VanDerWaalsContact O-NE2 3.09Å; L67-N105 HydrophobicContact CD1-CB 4.34Å; L67-N105 HydrophobicContact CD2-CB 4.27Å
68	L	85.1	Confident	87.2	Confident	70 Å²	70	42 Å²	42	37%	0.366	19%	0.194	S	C	.	.	H	α-helix	trans	-67.8	-46.1	174.3	-179.9	63.9	0	0	0	111.5	K32 Y38 K64 I65 L66 A70 Q71	K32-L68 HydrophobicContact CD-CD2 4.32Å; Y38-L68 WeakPolarHBondContact OH-CD2 3.44Å; K64-L68 WeakPolarHBondContact O-CB 3.2Å; K64-L68 PolarHBondContact O-N 3.33Å; I65-L68 WeakPolarHBondContact O-CB 3.36Å; I65-L68 PolarHBondContact O-N 2.96Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.44Å; L68-A70 VanDerWaalsContact C-N 3.27Å; L68-A70 PolarHBondContact O-N 3.44Å; L68-Q71 WeakPolarHBondContact O-CB 3.27Å; L68-Q71 WeakPolarHBondContact O-CG 3.4Å; L68-Q71 PolarHBondContact O-N 3Å
69	I	85.2	Confident	88.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-39.4	174.7	-67.3	159	0	0	0	110.7	Y38 I43 I65 L66 Q71 E72 G75 I79	Y38-I69 HydrophobicContact CD1-CD1 4.29Å; Y38-I69 HydrophobicContact CD1-CG1 3.98Å; Y38-I69 HydrophobicContact CD2-CB 4.34Å; Y38-I69 HydrophobicContact CD2-CG1 3.57Å; Y38-I69 HydrophobicContact CD2-CG2 4.45Å; Y38-I69 HydrophobicContact CE1-CG1 4.11Å; Y38-I69 HydrophobicContact CE2-CG1 3.71Å; Y38-I69 HydrophobicContact CG-CD1 4.27Å; Y38-I69 HydrophobicContact CG-CG1 3.69Å; I43-I69 HydrophobicContact CD1-CG2 3.9Å; I43-I69 HydrophobicContact CG1-CD1 4.19Å; I43-I69 HydrophobicContact CG1-CG2 4.22Å; I65-I69 HydrophobicContact CG2-CD1 3.57Å; I65-I69 HydrophobicContact CG2-CG1 4.36Å; I65-I69 WeakPolarHBondContact O-CD1 3.4Å; I65-I69 VanDerWaalsContact O-CG1 3.27Å; I65-I69 WeakPolarHBondContact O-CG1 3.24Å; I65-I69 PolarHBondContact O-N 2.81Å; L66-I69 HydrophobicContact CD2-CD1 4.41Å; L66-I69 PolarHBondContact O-N 3.13Å; I69-Q71 PolarHBondContact O-N 3.45Å; I69-E72 PolarHBondContact O-N 2.66Å; I69-G75 VanDerWaalsContact CG2-CA 3.5Å; I69-G75 WeakPolarHBondContact O-CA 3.3Å; I69-I79 HydrophobicContact CB-CD1 4.19Å; I69-I79 HydrophobicContact CG2-CD1 3.89Å; I69-I79 HydrophobicContact CG2-CG1 4.25Å
70	A	90.7	Very high	88.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.7	-179.8	0	0	0	0	0	113.9	L66 L68 E72 L76 I79 L106 R109	L66-A70 VanDerWaalsContact O-CB 3.23Å; L66-A70 WeakPolarHBondContact O-CB 3.4Å; L66-A70 PolarHBondContact O-N 2.92Å; L68-A70 VanDerWaalsContact C-N 3.27Å; L68-A70 PolarHBondContact O-N 3.44Å; A70-E72 VanDerWaalsContact C-N 3.26Å; A70-L76 HydrophobicContact CB-CD1 4.25Å; A70-I79 HydrophobicContact CB-CD1 3.84Å; A70-L106 HydrophobicContact CB-CD1 3.84Å; A70-R109 HydrophobicContact CB-CG 3.93Å; A70-R109 PolarHBondContact O-NE 3.09Å; A70-R109 PolarHBondContact O-NH2 3.43Å
71	Q	87.6	Confident	88.8	Confident	114 Å²	114	47.7 Å²	47.7	53%	0.533	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-33.7	171.5	-60	-53.6	-50.2	0	0	111.1	L67 L68 I69 R109	L67-Q71 PolarHBondContact O-N 3.4Å; L67-Q71 PolarHBondContact O-NE2 3.41Å; L67-Q71 VanDerWaalsContact O-NE2 3.09Å; L68-Q71 WeakPolarHBondContact O-CB 3.27Å; L68-Q71 WeakPolarHBondContact O-CG 3.4Å; L68-Q71 PolarHBondContact O-N 3Å; I69-Q71 PolarHBondContact O-N 3.45Å; Q71-R109 PolarHBondContact O-NH2 3.37Å
72	E	86.6	Confident	89.3	Confident	68 Å²	68	48.3 Å²	48.3	32%	0.318	22%	0.217	S	C	.	.	S	Bend	trans	-87.4	133.2	176.4	-66.9	170	-160.4	0	0	111.3	I69 A70 K74 G75 L76	I69-E72 PolarHBondContact O-N 2.66Å; A70-E72 VanDerWaalsContact C-N 3.26Å; E72-K74 PolarHBondContact O-N 3.49Å; E72-G75 WeakPolarHBondContact O-CA 3.33Å; E72-G75 PolarHBondContact O-N 2.83Å; E72-L76 PolarHBondContact O-N 2.93Å
73	E	87.5	Confident	89.7	Confident	107 Å²	107	54.3 Å²	54.3	50%	0.5	24%	0.244	S	C	.	.	H	α-helix	trans	-58.4	-34.4	178.8	-71.9	-58.7	137.8	0	0	113.1	R77 R109	E73-R77 WeakPolarHBondContact O-CB 3.36Å; E73-R77 VanDerWaalsContact O-CG 3.27Å; E73-R77 WeakPolarHBondContact O-CG 3.3Å; E73-R77 PolarHBondContact O-N 3.24Å; E73-R77 PolarHBondContact O-NE 3.22Å; E73-R109 IonicContact OE1-CZ 3.6Å; E73-R109 IonicContact OE1-NH1 3.81Å; E73-R109 IonicContact OE1-NH2 2.66Å; E73-R109 PolarHBondContact OE1-NH2 2.84Å
74	K	88.1	Confident	89.9	Confident	106 Å²	106	54.3 Å²	54.3	46%	0.461	24%	0.244	S	C	.	.	H	α-helix	trans	-68.1	-43.6	174.5	-171.3	179.4	177	-174.4	0	111.2	T37 E72 R77 N78	T37-K74 HydrophobicContact CG2-CD 4.22Å; E72-K74 PolarHBondContact O-N 3.49Å; K74-R77 PolarHBondContact O-N 3.11Å; K74-N78 PolarHBondContact O-N 3.32Å; K74-N78 PolarHBondContact O-ND2 2.94Å
75	G	88	Confident	90.2	Very high	4 Å²	4	51.3 Å²	51.3	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-46.7	175.3	0	0	0	0	0	112	I69 E72 R77 N78 I79	I69-G75 VanDerWaalsContact CG2-CA 3.5Å; I69-G75 WeakPolarHBondContact O-CA 3.3Å; E72-G75 WeakPolarHBondContact O-CA 3.33Å; E72-G75 PolarHBondContact O-N 2.83Å; G75-R77 PolarHBondContact O-N 3.36Å; G75-N78 WeakPolarHBondContact O-CB 3.38Å; G75-N78 PolarHBondContact O-N 2.97Å; G75-N78 VanDerWaalsContact O-N 3.12Å; G75-I79 WeakPolarHBondContact O-CG1 3.38Å; G75-I79 PolarHBondContact O-N 2.66Å
76	L	91.6	Very high	90.8	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-45.6	176.4	-179.8	62.1	0	0	0	112.4	A70 E72 N78 I79 L80 I110	A70-L76 HydrophobicContact CB-CD1 4.25Å; E72-L76 PolarHBondContact O-N 2.93Å; L76-N78 VanDerWaalsContact C-N 3.29Å; L76-N78 PolarHBondContact O-N 3.13Å; L76-I79 PolarHBondContact O-N 3.21Å; L76-L80 PolarHBondContact O-N 2.78Å; L76-I110 HydrophobicContact CD1-CB 4.38Å; L76-I110 HydrophobicContact CD1-CG1 3.72Å
77	R	92.5	Very high	91	Very high	148 Å²	148	52.6 Å²	52.6	56%	0.558	24%	0.24	S	C	*	.	H	α-helix	trans	-60.2	-38.7	175.3	-76.3	-176.3	-64.1	-177.1	1.6	112.4	E73 K74 G75 L80 R81	E73-R77 WeakPolarHBondContact O-CB 3.36Å; E73-R77 VanDerWaalsContact O-CG 3.27Å; E73-R77 WeakPolarHBondContact O-CG 3.3Å; E73-R77 PolarHBondContact O-N 3.24Å; E73-R77 PolarHBondContact O-NE 3.22Å; K74-R77 PolarHBondContact O-N 3.11Å; G75-R77 PolarHBondContact O-N 3.36Å; R77-L80 PolarHBondContact O-N 3.4Å; R77-R81 WeakPolarHBondContact O-CB 3.27Å; R77-R81 PolarHBondContact O-N 3.49Å
78	N	91.3	Very high	91.3	Very high	28 Å²	28	50.7 Å²	50.7	15%	0.15	23%	0.23	C	C	.	.	H	α-helix	trans	-69.5	-40.3	177.3	-73.4	-21.7	0	0	0	112.1	L40 I43 K74 G75 L76 L80 R81 L82	L40-N78 HydrophobicContact CD1-CB 3.84Å; I43-N78 HydrophobicContact CD1-CB 3.46Å; I43-N78 VanDerWaalsContact CD1-CB 3.46Å; K74-N78 PolarHBondContact O-N 3.32Å; K74-N78 PolarHBondContact O-ND2 2.94Å; G75-N78 WeakPolarHBondContact O-CB 3.38Å; G75-N78 PolarHBondContact O-N 2.97Å; G75-N78 VanDerWaalsContact O-N 3.12Å; L76-N78 VanDerWaalsContact C-N 3.29Å; L76-N78 PolarHBondContact O-N 3.13Å; N78-L80 VanDerWaalsContact C-N 3.32Å; N78-L80 PolarHBondContact O-N 3.14Å; N78-R81 PolarHBondContact O-N 3.46Å; N78-L82 WeakPolarHBondContact O-CB 3.28Å; N78-L82 WeakPolarHBondContact O-CG 3.01Å; N78-L82 PolarHBondContact O-N 3.42Å
79	I	93.6	Very high	91.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-46.5	173.8	-68.1	168.8	0	0	0	110.2	I43 L66 I69 A70 G75 L76 L82 Q83 G84 I110	I43-I79 HydrophobicContact CG2-CG1 3.75Å; L66-I79 HydrophobicContact CB-CD1 4.43Å; L66-I79 HydrophobicContact CD2-CD1 4.14Å; L66-I79 HydrophobicContact CD2-CG1 4.06Å; L66-I79 WeakPolarHBondContact O-CD1 3.41Å; I69-I79 HydrophobicContact CB-CD1 4.19Å; I69-I79 HydrophobicContact CG2-CD1 3.89Å; I69-I79 HydrophobicContact CG2-CG1 4.25Å; A70-I79 HydrophobicContact CB-CD1 3.84Å; G75-I79 WeakPolarHBondContact O-CG1 3.38Å; G75-I79 PolarHBondContact O-N 2.66Å; L76-I79 PolarHBondContact O-N 3.21Å; I79-L82 CarbonylContact O-C 3.39Å; I79-L82 PolarHBondContact O-N 2.81Å; I79-Q83 PolarHBondContact O-N 3.28Å; I79-G84 PolarHBondContact O-N 2.97Å; I79-I110 HydrophobicContact CG2-CD1 4.24Å
80	L	94.3	Very high	92.3	Very high	16 Å²	16	49.7 Å²	49.7	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-43.2	175.9	-78.4	173.2	0	0	0	112.6	L76 R77 N78 L82 Q83 I110 R115 A119	L76-L80 PolarHBondContact O-N 2.78Å; R77-L80 PolarHBondContact O-N 3.4Å; N78-L80 VanDerWaalsContact C-N 3.32Å; N78-L80 PolarHBondContact O-N 3.14Å; L80-L82 PolarHBondContact O-N 3.13Å; L80-Q83 PolarHBondContact O-N 3.03Å; L80-I110 HydrophobicContact CD2-CG2 3.7Å; L80-I110 HydrophobicContact CG-CG2 4.43Å; L80-R115 HydrophobicContact CD1-CB 4.36Å; L80-R115 HydrophobicContact CD1-CG 4.25Å; L80-A119 HydrophobicContact CD2-CB 4.13Å
81	R	93.7	Very high	92.5	Very high	171 Å²	171	50.1 Å²	50.1	65%	0.645	23%	0.228	S	C	*	.	H	α-helix	trans	-61.4	-35.2	178	180	179	175.7	170.8	-0.1	112.2	R77 N78 Q83	R77-R81 WeakPolarHBondContact O-CB 3.27Å; R77-R81 PolarHBondContact O-N 3.49Å; N78-R81 PolarHBondContact O-N 3.46Å; R81-Q83 VanDerWaalsContact C-N 3.32Å
82	L	93.3	Very high	92.8	Very high	41 Å²	41	44.9 Å²	44.9	22%	0.215	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	18.7	-178.2	-65.4	172.2	0	0	0	113.1	L40 I43 E44 I47 N78 I79 L80 G84	L40-L82 HydrophobicContact CD1-CD1 3.54Å; L40-L82 HydrophobicContact CD1-CD2 4.41Å; L40-L82 HydrophobicContact CD1-CG 4.05Å; L40-L82 HydrophobicContact CG-CD1 4.11Å; I43-L82 HydrophobicContact CB-CD1 3.88Å; I43-L82 HydrophobicContact CG2-CD1 3.81Å; E44-L82 HydrophobicContact CB-CD1 3.94Å; E44-L82 HydrophobicContact CB-CD2 4.44Å; I47-L82 HydrophobicContact CD1-CB 3.57Å; I47-L82 HydrophobicContact CD1-CD1 4.33Å; N78-L82 WeakPolarHBondContact O-CB 3.28Å; N78-L82 WeakPolarHBondContact O-CG 3.01Å; N78-L82 PolarHBondContact O-N 3.42Å; I79-L82 CarbonylContact O-C 3.39Å; I79-L82 PolarHBondContact O-N 2.81Å; L80-L82 PolarHBondContact O-N 3.13Å; L82-G84 PolarHBondContact O-N 3.1Å; L82-G84 VanDerWaalsContact O-N 3.13Å
83	Q	93.8	Very high	93.1	Very high	130 Å²	130	43.2 Å²	43.2	61%	0.607	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	30.6	178.4	-60.8	176.2	-24.3	0	0	113.8	I79 L80 R81 C85 D86 A87	I79-Q83 PolarHBondContact O-N 3.28Å; L80-Q83 PolarHBondContact O-N 3.03Å; R81-Q83 VanDerWaalsContact C-N 3.32Å; Q83-C85 PolarHBondContact O-N 3.22Å; Q83-D86 HydrophobicContact CB-CB 4.42Å; Q83-D86 PolarHBondContact O-N 3.27Å; Q83-D86 VanDerWaalsContact O-N 3.09Å; Q83-A87 PolarHBondContact O-N 3.37Å
84	G	93.7	Very high	93.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-25.6	177.3	0	0	0	0	0	112.9	I79 L82 T88	I79-G84 PolarHBondContact O-N 2.97Å; L82-G84 PolarHBondContact O-N 3.1Å; L82-G84 VanDerWaalsContact O-N 3.13Å; G84-T88 WeakPolarHBondContact O-CB 3.37Å; G84-T88 PolarHBondContact O-N 2.91Å; G84-T88 PolarHBondContact O-OG1 2.9Å
85	C	94.7	Very high	93.1	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.02	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-45.8	171.4	52.2	0	0	0	0	112	Q83 T88 L89 I110	Q83-C85 PolarHBondContact O-N 3.22Å; C85-T88 PolarHBondContact O-N 2.96Å; C85-T88 VanDerWaalsContact O-N 3.16Å; C85-L89 WeakPolarHBondContact O-CB 3.35Å; C85-L89 WeakPolarHBondContact O-CG 3.39Å; C85-L89 PolarHBondContact O-N 3.43Å; C85-I110 HydrophobicContact CB-CD1 4.34Å
86	D	94.8	Very high	93	Very high	48 Å²	48	46.8 Å²	46.8	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-66.7	-43.6	-176.2	-60.9	-1	0	0	0	110.7	Q83 T88 L89 N90 Y123	Q83-D86 HydrophobicContact CB-CB 4.42Å; Q83-D86 PolarHBondContact O-N 3.27Å; Q83-D86 VanDerWaalsContact O-N 3.09Å; D86-T88 VanDerWaalsContact C-N 3.29Å; D86-T88 PolarHBondContact O-N 3.37Å; D86-L89 PolarHBondContact O-N 2.93Å; D86-N90 VanDerWaalsContact O-CB 3.26Å; D86-N90 WeakPolarHBondContact O-CB 3.49Å; D86-N90 PolarHBondContact O-N 3.4Å; D86-Y123 HydrophobicContact CB-CD2 3.81Å; D86-Y123 HydrophobicContact CB-CE2 3.81Å
87	A	94.7	Very high	92.9	Very high	8 Å²	8	50.6 Å²	50.6	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-41.3	173.6	0	0	0	0	0	111.5	I47 L50 T51 Q83 L91	I47-A87 HydrophobicContact CG2-CB 3.87Å; L50-A87 HydrophobicContact CB-CB 4.26Å; L50-A87 HydrophobicContact CD1-CB 4.36Å; T51-A87 HydrophobicContact CG2-CB 3.83Å; Q83-A87 PolarHBondContact O-N 3.37Å; A87-L91 WeakPolarHBondContact O-CB 3.5Å; A87-L91 PolarHBondContact O-N 3.38Å
88	T	96.5	Very high	92.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71	-40.3	-179.7	-54.6	0	0	0	0	112.2	L63 G84 C85 D86 L91 L92 C103 L106 L107	L63-T88 HydrophobicContact CD2-CG2 4.34Å; G84-T88 WeakPolarHBondContact O-CB 3.37Å; G84-T88 PolarHBondContact O-N 2.91Å; G84-T88 PolarHBondContact O-OG1 2.9Å; C85-T88 PolarHBondContact O-N 2.96Å; C85-T88 VanDerWaalsContact O-N 3.16Å; D86-T88 VanDerWaalsContact C-N 3.29Å; D86-T88 PolarHBondContact O-N 3.37Å; T88-L91 PolarHBondContact O-N 2.93Å; T88-L92 WeakPolarHBondContact O-CB 3.27Å; T88-L92 PolarHBondContact O-N 3.34Å; T88-C103 HydrophobicContact CG2-CB 3.87Å; T88-L106 HydrophobicContact CG2-CB 4.41Å; T88-L106 HydrophobicContact CG2-CD2 4.1Å; T88-L106 HydrophobicContact CG2-CG 4.46Å; T88-L106 WeakPolarHBondContact OG1-CD2 3.34Å; T88-L107 HydrophobicContact CG2-CD1 4.1Å; T88-L107 HydrophobicContact CG2-CD2 4.13Å; T88-L107 HydrophobicContact CG2-CG 3.77Å
89	L	96.1	Very high	92.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-48.1	175.8	-76.2	167.2	0	0	0	111.3	C85 D86 L91 L92 F93 L107 I120 Y123	C85-L89 WeakPolarHBondContact O-CB 3.35Å; C85-L89 WeakPolarHBondContact O-CG 3.39Å; C85-L89 PolarHBondContact O-N 3.43Å; D86-L89 PolarHBondContact O-N 2.93Å; L89-L91 PolarHBondContact O-N 3.4Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 PolarHBondContact O-N 3.02Å; L89-L92 VanDerWaalsContact O-N 3.15Å; L89-F93 HydrophobicContact CB-CE2 4.01Å; L89-F93 HydrophobicContact CB-CZ 4.42Å; L89-F93 HydrophobicContact CD2-CE2 4.19Å; L89-F93 HydrophobicContact CD2-CZ 3.77Å; L89-F93 WeakPolarHBondContact O-CD2 3.43Å; L89-F93 VanDerWaalsContact O-CG 3.25Å; L89-F93 WeakPolarHBondContact O-CG 3.35Å; L89-F93 PolarHBondContact O-N 3.26Å; L89-L107 HydrophobicContact CD2-CD1 3.67Å; L89-L107 HydrophobicContact CD2-CD2 3.98Å; L89-L107 HydrophobicContact CD2-CG 4.49Å; L89-L107 HydrophobicContact CG-CD1 4.22Å; L89-L107 HydrophobicContact CG-CD2 3.83Å; L89-I120 HydrophobicContact CD1-CG1 4.46Å; L89-I120 HydrophobicContact CD1-CG2 4.28Å; L89-I120 HydrophobicContact CD2-CG2 4.42Å; L89-Y123 HydrophobicContact CB-CD1 3.94Å; L89-Y123 HydrophobicContact CB-CD2 4.45Å; L89-Y123 HydrophobicContact CB-CE1 3.91Å; L89-Y123 HydrophobicContact CB-CE2 4.43Å; L89-Y123 HydrophobicContact CB-CG 4.2Å; L89-Y123 VanDerWaalsContact CD1-CB 3.47Å; L89-Y123 HydrophobicContact CD1-CD1 3.79Å; L89-Y123 HydrophobicContact CD1-CD2 4.13Å; L89-Y123 HydrophobicContact CD1-CG 3.51Å; L89-Y123 HydrophobicContact CG-CD1 4.43Å; L89-Y123 HydrophobicContact CG-CG 4.49Å
90	N	94.3	Very high	93	Very high	48 Å²	48	46.9 Å²	46.9	26%	0.257	22%	0.224	S	C	.	.	H	α-helix	trans	-56.2	-41.6	175.1	-176.9	48.3	0	0	0	111.4	D86 K94 Y123	D86-N90 VanDerWaalsContact O-CB 3.26Å; D86-N90 WeakPolarHBondContact O-CB 3.49Å; D86-N90 PolarHBondContact O-N 3.4Å; N90-K94 WeakPolarHBondContact O-CG 3.29Å; N90-K94 PolarHBondContact O-N 3.49Å; N90-K94 WeakPolarHBondContact OD1-CD 3.46Å; N90-K94 VanDerWaalsContact OD1-CE 3.23Å; N90-K94 WeakPolarHBondContact OD1-CE 3.49Å; N90-K94 PolarHBondContact OD1-NZ 3.49Å; N90-Y123 WeakPolarHBondContact CB-OH 3.41Å
91	L	94.7	Very high	93	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-49	175.4	-173.2	61.8	0	0	0	111.4	L50 K59 L63 A87 T88 L89 F93 K94 A95 L99	L50-L91 HydrophobicContact CB-CD2 4.37Å; L50-L91 HydrophobicContact CD2-CD2 3.98Å; K59-L91 HydrophobicContact CB-CD2 4.35Å; K59-L91 HydrophobicContact CD-CD1 3.68Å; K59-L91 HydrophobicContact CD-CD2 4.29Å; L63-L91 HydrophobicContact CD1-CD2 3.94Å; L63-L91 HydrophobicContact CD2-CD2 4.42Å; L63-L91 HydrophobicContact CG-CD2 4.37Å; A87-L91 WeakPolarHBondContact O-CB 3.5Å; A87-L91 PolarHBondContact O-N 3.38Å; T88-L91 PolarHBondContact O-N 2.93Å; L89-L91 PolarHBondContact O-N 3.4Å; L91-F93 PolarHBondContact O-N 2.94Å; L91-K94 PolarHBondContact O-N 3.13Å; L91-K94 VanDerWaalsContact O-N 3.12Å; L91-A95 HydrophobicContact CD1-CB 3.89Å; L91-A95 HydrophobicContact CG-CB 4.08Å; L91-A95 WeakPolarHBondContact O-CA 3.44Å; L91-A95 WeakPolarHBondContact O-CB 3.24Å; L91-A95 PolarHBondContact O-N 3.34Å; L91-L99 HydrophobicContact CD1-CD1 4.13Å; L91-L99 HydrophobicContact CD2-CD1 4.43Å; L91-L99 HydrophobicContact CG-CD1 4.49Å
92	L	95.1	Very high	93	Very high	3 Å²	3	43 Å²	43	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-51.4	-42.5	178	176.5	63.8	0	0	0	112.4	T88 L89 K100 C103 L104 L107 L130	T88-L92 WeakPolarHBondContact O-CB 3.27Å; T88-L92 PolarHBondContact O-N 3.34Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 PolarHBondContact O-N 3.02Å; L89-L92 VanDerWaalsContact O-N 3.15Å; L92-K100 HydrophobicContact CD1-CB 4.05Å; L92-K100 HydrophobicContact CD1-CG 4.08Å; L92-C103 HydrophobicContact CB-CB 3.91Å; L92-C103 HydrophobicContact CD1-CB 4.01Å; L92-C103 HydrophobicContact CG-CB 4.5Å; L92-L104 HydrophobicContact CD1-CD1 4.43Å; L92-L104 HydrophobicContact CD1-CD2 4.07Å; L92-L104 HydrophobicContact CD1-CG 3.86Å; L92-L104 HydrophobicContact CD2-CD2 3.86Å; L92-L104 HydrophobicContact CD2-CG 4.48Å; L92-L107 HydrophobicContact CD2-CD1 3.74Å; L92-L130 HydrophobicContact CD2-CD2 4.17Å
93	F	92.4	Very high	93.2	Very high	34 Å²	34	41.1 Å²	41.1	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-77.2	-21.9	-175.4	-57	-33.4	0	0	0	113.9	L89 L91 Y123 Q129 L130 Q133	L89-F93 HydrophobicContact CB-CE2 4.01Å; L89-F93 HydrophobicContact CB-CZ 4.42Å; L89-F93 HydrophobicContact CD2-CE2 4.19Å; L89-F93 HydrophobicContact CD2-CZ 3.77Å; L89-F93 WeakPolarHBondContact O-CD2 3.43Å; L89-F93 VanDerWaalsContact O-CG 3.25Å; L89-F93 WeakPolarHBondContact O-CG 3.35Å; L89-F93 PolarHBondContact O-N 3.26Å; L91-F93 PolarHBondContact O-N 2.94Å; F93-Y123 HydrophobicContact CD2-CE1 4.19Å; F93-Y123 HydrophobicContact CE2-CD1 4.13Å; F93-Y123 AromaticContact CE2-CE1 3.79Å; F93-Y123 HydrophobicContact CE2-CE1 3.79Å; F93-Q129 HydrophobicContact CD1-CB 3.83Å; F93-Q129 HydrophobicContact CD2-CB 4.01Å; F93-Q129 HydrophobicContact CD2-CG 4.12Å; F93-Q129 HydrophobicContact CE1-CB 3.5Å; F93-Q129 HydrophobicContact CE2-CB 3.68Å; F93-Q129 HydrophobicContact CE2-CG 4.05Å; F93-Q129 HydrophobicContact CG-CB 4.09Å; F93-Q129 HydrophobicContact CG-CG 4.43Å; F93-Q129 HydrophobicContact CZ-CB 3.42Å; F93-Q129 VanDerWaalsContact CZ-CB 3.42Å; F93-Q129 HydrophobicContact CZ-CG 4.29Å; F93-L130 HydrophobicContact CE1-CD2 4.28Å; F93-L130 HydrophobicContact CE1-CG 4.49Å; F93-Q133 HydrophobicContact CD1-CG 4.12Å; F93-Q133 HydrophobicContact CE1-CG 4.44Å
94	K	90.6	Very high	93.3	Very high	163 Å²	163	35 Å²	35	71%	0.709	17%	0.173	S	C	*	.	H	α-helix	trans	-112.5	-16.5	-175.9	-64.8	176	179.3	167.2	0	114.3	N90 L91	N90-K94 WeakPolarHBondContact O-CG 3.29Å; N90-K94 PolarHBondContact O-N 3.49Å; N90-K94 WeakPolarHBondContact OD1-CD 3.46Å; N90-K94 VanDerWaalsContact OD1-CE 3.23Å; N90-K94 WeakPolarHBondContact OD1-CE 3.49Å; N90-K94 PolarHBondContact OD1-NZ 3.49Å; L91-K94 PolarHBondContact O-N 3.13Å; L91-K94 VanDerWaalsContact O-N 3.12Å
95	A	86.2	Confident	93.5	Very high	19 Å²	19	37.9 Å²	37.9	16%	0.157	19%	0.189	C	C	.	.	S	Bend	trans	-77.6	159.7	-170.8	0	0	0	0	0	113.9	L91 L99 K100	L91-A95 HydrophobicContact CD1-CB 3.89Å; L91-A95 HydrophobicContact CG-CB 4.08Å; L91-A95 WeakPolarHBondContact O-CA 3.44Å; L91-A95 WeakPolarHBondContact O-CB 3.24Å; L91-A95 PolarHBondContact O-N 3.34Å; A95-L99 HydrophobicContact CB-CB 3.9Å; A95-L99 HydrophobicContact CB-CD1 3.92Å; A95-L99 HydrophobicContact CB-CG 4.44Å; A95-K100 WeakPolarHBondContact O-CE 3.39Å
96	E	85.2	Confident	93.6	Very high	110 Å²	110	37.8 Å²	37.8	51%	0.514	19%	0.188	S	C	.	.			trans	-58.7	152.8	163.7	-63.7	173.3	-163	0	0	111.5	H56 V98 L99	H56-E96 IonicContact CE1-OE2 3.7Å; H56-E96 IonicContact CG-OE2 2.72Å; H56-E96 IonicContact ND1-OE1 2.82Å; H56-E96 IonicContact ND1-OE2 3.66Å; H56-E96 PolarHBondContact ND1-OE2 3.28Å; H56-E96 VanDerWaalsContact ND1-OE2 3.16Å; E96-V98 PolarHBondContact O-N 2.71Å; E96-L99 PolarHBondContact O-N 3.18Å; E96-L99 VanDerWaalsContact O-N 3.08Å
97	E	90.1	Very high	93.7	Very high	82 Å²	82	35.5 Å²	35.5	38%	0.383	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.1	-179.7	-69.5	-77.8	119.1	0	0	113.4	L99 K100 P101 F140	E97-L99 PolarHBondContact O-N 3.05Å; E97-K100 WeakPolarHBondContact OE1-CD 3.49Å; E97-K100 WeakPolarHBondContact OE1-CE 3.45Å; E97-K100 IonicContact OE1-NZ 3.66Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; E97-P101 VanDerWaalsContact O-CD 3.3Å; E97-P101 WeakPolarHBondContact O-CD 3.25Å; E97-F140 HydrophobicContact CB-CE2 4.45Å; E97-F140 WeakPolarHBondContact O-CZ 2.96Å; E97-F140 WeakPolarHBondContact OE2-CE2 3.42Å
98	V	91.1	Very high	93.9	Very high	78 Å²	78	36.1 Å²	36.1	47%	0.473	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.6	180	-176.9	0	0	0	0	112.4	E96	E96-V98 PolarHBondContact O-N 2.71Å
99	L	92.9	Very high	93.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-26.6	-177.8	-63.1	178.9	0	0	0	112.9	H56 K59 L60 L63 L91 A95 E96 E97 P101 Y102 C103	H56-L99 HydrophobicContact CB-CD1 3.97Å; H56-L99 HydrophobicContact CB-CD2 4.29Å; H56-L99 HydrophobicContact CB-CG 4.15Å; H56-L99 WeakPolarHBondContact O-CD2 3.48Å; K59-L99 HydrophobicContact CB-CD1 3.96Å; K59-L99 HydrophobicContact CB-CD2 4.27Å; K59-L99 HydrophobicContact CD-CD1 4.28Å; L60-L99 HydrophobicContact CB-CD2 3.81Å; L60-L99 HydrophobicContact CD1-CD2 4.36Å; L63-L99 HydrophobicContact CD1-CB 4.44Å; L63-L99 HydrophobicContact CD1-CD2 4.32Å; L91-L99 HydrophobicContact CD1-CD1 4.13Å; L91-L99 HydrophobicContact CD2-CD1 4.43Å; L91-L99 HydrophobicContact CG-CD1 4.49Å; A95-L99 HydrophobicContact CB-CB 3.9Å; A95-L99 HydrophobicContact CB-CD1 3.92Å; A95-L99 HydrophobicContact CB-CG 4.44Å; E96-L99 PolarHBondContact O-N 3.18Å; E96-L99 VanDerWaalsContact O-N 3.08Å; E97-L99 PolarHBondContact O-N 3.05Å; L99-P101 VanDerWaalsContact C-CD 3.44Å; L99-Y102 PolarHBondContact O-N 2.84Å; L99-C103 PolarHBondContact O-N 3Å; L99-C103 VanDerWaalsContact O-N 3.08Å
100	K	94.3	Very high	93.9	Very high	17 Å²	17	37.9 Å²	37.9	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-53.1	-42.8	-174.5	-64.9	-171.2	178.8	178	0	114.2	L92 A95 E97 Y102 C103 L104 F140	L92-K100 HydrophobicContact CD1-CB 4.05Å; L92-K100 HydrophobicContact CD1-CG 4.08Å; A95-K100 WeakPolarHBondContact O-CE 3.39Å; E97-K100 WeakPolarHBondContact OE1-CD 3.49Å; E97-K100 WeakPolarHBondContact OE1-CE 3.45Å; E97-K100 IonicContact OE1-NZ 3.66Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; K100-Y102 VanDerWaalsContact C-N 3.27Å; K100-Y102 PolarHBondContact O-N 2.82Å; K100-C103 PolarHBondContact O-N 3Å; K100-L104 WeakPolarHBondContact O-CB 3.38Å; K100-L104 VanDerWaalsContact O-CG 3.27Å; K100-L104 WeakPolarHBondContact O-CG 3.48Å; K100-L104 PolarHBondContact O-N 3.25Å; K100-F140 HydrophobicContact CB-CD2 4Å; K100-F140 HydrophobicContact CB-CE2 3.63Å; K100-F140 HydrophobicContact CB-CZ 4.1Å; K100-F140 HydrophobicContact CD-CD2 3.97Å; K100-F140 HydrophobicContact CD-CE2 3.73Å; K100-F140 HydrophobicContact CG-CE2 4.24Å
101	P	94.6	Very high	94	Very high	29 Å²	29	35.6 Å²	35.6	19%	0.188	17%	0.173	C	C	.	.	H	α-helix	trans	-57.9	-39.4	177.4	-23.1	31	0	0	0	113.2	E97 L99 N105 F140 Q143	E97-P101 VanDerWaalsContact O-CD 3.3Å; E97-P101 WeakPolarHBondContact O-CD 3.25Å; L99-P101 VanDerWaalsContact C-CD 3.44Å; P101-N105 WeakPolarHBondContact O-CB 3.49Å; P101-N105 PolarHBondContact O-N 3.37Å; P101-N105 PolarHBondContact O-ND2 3.2Å; P101-F140 HydrophobicContact CG-CD1 4.41Å; P101-F140 HydrophobicContact CG-CE1 3.6Å; P101-F140 HydrophobicContact CG-CZ 3.97Å; P101-Q143 PolarHBondContact O-NE2 3.31Å
102	Y	94.3	Very high	94	Very high	77 Å²	77	39.6 Å²	39.6	30%	0.302	19%	0.191	S	C	.	.	H	α-helix	trans	-76.5	-38.9	-177.2	-67.1	-93.3	0	0	0	111.4	L60 K64 L99 K100 N105 L106	L60-Y102 HydrophobicContact CD1-CD1 4.01Å; L60-Y102 HydrophobicContact CD1-CD2 3.34Å; L60-Y102 HydrophobicContact CD1-CE1 3.94Å; L60-Y102 HydrophobicContact CD1-CE2 3.29Å; L60-Y102 HydrophobicContact CD1-CG 3.72Å; K64-Y102 HydrophobicContact CD-CE1 4.45Å; K64-Y102 HydrophobicContact CG-CD1 4.02Å; K64-Y102 HydrophobicContact CG-CE1 3.78Å; L99-Y102 PolarHBondContact O-N 2.84Å; K100-Y102 VanDerWaalsContact C-N 3.27Å; K100-Y102 PolarHBondContact O-N 2.82Å; Y102-N105 PolarHBondContact O-N 3.02Å; Y102-L106 WeakPolarHBondContact O-CB 3.41Å; Y102-L106 PolarHBondContact O-N 3.17Å
103	C	97	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.3	-47.4	169.7	-63.7	0	0	0	0	111.1	T88 L92 L99 K100 L106 L107	T88-C103 HydrophobicContact CG2-CB 3.87Å; L92-C103 HydrophobicContact CB-CB 3.91Å; L92-C103 HydrophobicContact CD1-CB 4.01Å; L92-C103 HydrophobicContact CG-CB 4.5Å; L99-C103 PolarHBondContact O-N 3Å; L99-C103 VanDerWaalsContact O-N 3.08Å; K100-C103 PolarHBondContact O-N 3Å; C103-L106 PolarHBondContact O-N 3Å; C103-L107 WeakPolarHBondContact O-CB 3.48Å; C103-L107 VanDerWaalsContact O-CG 3.25Å; C103-L107 WeakPolarHBondContact O-CG 3.21Å; C103-L107 PolarHBondContact O-N 3.46Å
104	L	96.7	Very high	93.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-43.9	179.8	-72.3	166.8	0	0	0	111.9	L92 K100 L106 L107 I108 F140 Q143 I144 L147	L92-L104 HydrophobicContact CD1-CD1 4.43Å; L92-L104 HydrophobicContact CD1-CD2 4.07Å; L92-L104 HydrophobicContact CD1-CG 3.86Å; L92-L104 HydrophobicContact CD2-CD2 3.86Å; L92-L104 HydrophobicContact CD2-CG 4.48Å; K100-L104 WeakPolarHBondContact O-CB 3.38Å; K100-L104 VanDerWaalsContact O-CG 3.27Å; K100-L104 WeakPolarHBondContact O-CG 3.48Å; K100-L104 PolarHBondContact O-N 3.25Å; L104-L106 PolarHBondContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 3.17Å; L104-I108 WeakPolarHBondContact O-CB 3.28Å; L104-I108 WeakPolarHBondContact O-CD1 3.47Å; L104-I108 WeakPolarHBondContact O-CG1 3.26Å; L104-I108 PolarHBondContact O-N 3.47Å; L104-F140 HydrophobicContact CD1-CB 3.77Å; L104-F140 HydrophobicContact CD1-CG 4.12Å; L104-Q143 HydrophobicContact CB-CB 4.12Å; L104-Q143 HydrophobicContact CD1-CB 3.84Å; L104-Q143 HydrophobicContact CG-CB 4.45Å; L104-I144 HydrophobicContact CD1-CG1 4.04Å; L104-I144 HydrophobicContact CD2-CG1 3.84Å; L104-L147 HydrophobicContact CD2-CD2 4.35Å
105	N	96.8	Very high	94	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-43	177.7	-74.2	-15.7	0	0	0	112.2	L67 P101 Y102 I108 R109 Q143	L67-N105 HydrophobicContact CD1-CB 4.34Å; L67-N105 HydrophobicContact CD2-CB 4.27Å; P101-N105 WeakPolarHBondContact O-CB 3.49Å; P101-N105 PolarHBondContact O-N 3.37Å; P101-N105 PolarHBondContact O-ND2 3.2Å; Y102-N105 PolarHBondContact O-N 3.02Å; N105-I108 PolarHBondContact O-N 3.38Å; N105-R109 PolarHBondContact O-N 3.45Å; N105-Q143 PolarHBondContact OD1-NE2 3.38Å
106	L	97.1	Very high	94.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-43.3	176.1	-179.7	57.7	0	0	0	111.4	L63 L66 A70 T88 Y102 C103 L104 R109 I110	L63-L106 HydrophobicContact CD2-CD2 4.2Å; L66-L106 HydrophobicContact CB-CD1 4.42Å; L66-L106 HydrophobicContact CB-CD2 3.8Å; L66-L106 HydrophobicContact CD1-CD2 4.25Å; A70-L106 HydrophobicContact CB-CD1 3.84Å; T88-L106 HydrophobicContact CG2-CB 4.41Å; T88-L106 HydrophobicContact CG2-CD2 4.1Å; T88-L106 HydrophobicContact CG2-CG 4.46Å; T88-L106 WeakPolarHBondContact OG1-CD2 3.34Å; Y102-L106 WeakPolarHBondContact O-CB 3.41Å; Y102-L106 PolarHBondContact O-N 3.17Å; C103-L106 PolarHBondContact O-N 3Å; L104-L106 PolarHBondContact O-N 3.09Å; L106-R109 PolarHBondContact O-N 3.35Å; L106-I110 HydrophobicContact CD1-CD1 4.19Å; L106-I110 HydrophobicContact CD1-CG1 4.43Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 WeakPolarHBondContact O-CB 3.46Å; L106-I110 VanDerWaalsContact O-CG1 3.26Å; L106-I110 WeakPolarHBondContact O-CG1 3.27Å; L106-I110 PolarHBondContact O-N 3.03Å
107	L	97.7	Very high	95	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-37.8	177.5	-69.8	167	0	0	0	112.7	T88 L89 L92 C103 L104 I110 S111 I120 L147	T88-L107 HydrophobicContact CG2-CD1 4.1Å; T88-L107 HydrophobicContact CG2-CD2 4.13Å; T88-L107 HydrophobicContact CG2-CG 3.77Å; L89-L107 HydrophobicContact CD2-CD1 3.67Å; L89-L107 HydrophobicContact CD2-CD2 3.98Å; L89-L107 HydrophobicContact CD2-CG 4.49Å; L89-L107 HydrophobicContact CG-CD1 4.22Å; L89-L107 HydrophobicContact CG-CD2 3.83Å; L92-L107 HydrophobicContact CD2-CD1 3.74Å; C103-L107 WeakPolarHBondContact O-CB 3.48Å; C103-L107 VanDerWaalsContact O-CG 3.25Å; C103-L107 WeakPolarHBondContact O-CG 3.21Å; C103-L107 PolarHBondContact O-N 3.46Å; L104-L107 PolarHBondContact O-N 3.17Å; L107-I110 PolarHBondContact O-N 3.37Å; L107-S111 VanDerWaalsContact O-CB 3.29Å; L107-S111 WeakPolarHBondContact O-CB 3.22Å; L107-S111 PolarHBondContact O-N 3.28Å; L107-S111 PolarHBondContact O-OG 3.46Å; L107-I120 HydrophobicContact CD2-CD1 4.14Å; L107-I120 HydrophobicContact CD2-CG1 4.16Å; L107-L147 HydrophobicContact CB-CD1 4.15Å; L107-L147 HydrophobicContact CB-CD2 4Å; L107-L147 HydrophobicContact CD1-CD2 4.35Å
108	I	97.5	Very high	95.1	Very high	22 Å²	22	40.1 Å²	40.1	11%	0.113	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-51.1	173.5	-72.1	163.2	0	0	0	109.1	L104 N105 I110 S111 E112 Q143 Q146 L147	L104-I108 WeakPolarHBondContact O-CB 3.28Å; L104-I108 WeakPolarHBondContact O-CD1 3.47Å; L104-I108 WeakPolarHBondContact O-CG1 3.26Å; L104-I108 PolarHBondContact O-N 3.47Å; N105-I108 PolarHBondContact O-N 3.38Å; I108-I110 VanDerWaalsContact C-N 3.31Å; I108-I110 PolarHBondContact O-N 2.89Å; I108-S111 WeakPolarHBondContact CA-OG 3.48Å; I108-S111 PolarHBondContact O-N 3.31Å; I108-S111 VanDerWaalsContact O-N 3.11Å; I108-S111 PolarHBondContact O-OG 3.4Å; I108-E112 PolarHBondContact O-N 3.29Å; I108-Q143 HydrophobicContact CD1-CB 4.21Å; I108-Q146 HydrophobicContact CD1-CB 4.12Å; I108-Q146 HydrophobicContact CD1-CG 3.98Å; I108-Q146 HydrophobicContact CG1-CG 4.16Å; I108-Q146 HydrophobicContact CG2-CG 4.01Å; I108-L147 HydrophobicContact CG1-CB 4.06Å
109	R	96.7	Very high	95.3	Very high	37 Å²	37	37.4 Å²	37.4	14%	0.14	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-42.6	176.4	178.7	55.4	-179	142.6	5.5	112	A70 Q71 E73 N105 L106 S111 E112	A70-R109 HydrophobicContact CB-CG 3.93Å; A70-R109 PolarHBondContact O-NE 3.09Å; A70-R109 PolarHBondContact O-NH2 3.43Å; Q71-R109 PolarHBondContact O-NH2 3.37Å; E73-R109 IonicContact OE1-CZ 3.6Å; E73-R109 IonicContact OE1-NH1 3.81Å; E73-R109 IonicContact OE1-NH2 2.66Å; E73-R109 PolarHBondContact OE1-NH2 2.84Å; N105-R109 PolarHBondContact O-N 3.45Å; L106-R109 PolarHBondContact O-N 3.35Å; R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.03Å; R109-E112 VanDerWaalsContact CD-OE2 3.26Å; R109-E112 WeakPolarHBondContact CD-OE2 3.23Å; R109-E112 IonicContact CZ-OE2 3.87Å; R109-E112 IonicContact NE-OE2 3.16Å; R109-E112 IonicContact NH1-OE2 3.88Å; R109-E112 PolarHBondContact NH1-OE2 2.81Å; R109-E112 WeakPolarHBondContact O-CB 3.44Å; R109-E112 PolarHBondContact O-N 3.17Å
110	I	96.8	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-45.9	175.6	-72.1	165.7	0	0	0	111.7	L76 I79 L80 C85 L106 L107 I108 E112 S113 G116 I120	L76-I110 HydrophobicContact CD1-CB 4.38Å; L76-I110 HydrophobicContact CD1-CG1 3.72Å; I79-I110 HydrophobicContact CG2-CD1 4.24Å; L80-I110 HydrophobicContact CD2-CG2 3.7Å; L80-I110 HydrophobicContact CG-CG2 4.43Å; C85-I110 HydrophobicContact CB-CD1 4.34Å; L106-I110 HydrophobicContact CD1-CD1 4.19Å; L106-I110 HydrophobicContact CD1-CG1 4.43Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 WeakPolarHBondContact O-CB 3.46Å; L106-I110 VanDerWaalsContact O-CG1 3.26Å; L106-I110 WeakPolarHBondContact O-CG1 3.27Å; L106-I110 PolarHBondContact O-N 3.03Å; L107-I110 PolarHBondContact O-N 3.37Å; I108-I110 VanDerWaalsContact C-N 3.31Å; I108-I110 PolarHBondContact O-N 2.89Å; I110-E112 PolarHBondContact O-N 3.07Å; I110-S113 PolarHBondContact O-N 2.72Å; I110-S113 PolarHBondContact O-OG 3.08Å; I110-G116 WeakPolarHBondContact O-CA 3.45Å; I110-I120 HydrophobicContact CB-CD1 4.46Å; I110-I120 HydrophobicContact CG2-CD1 3.99Å; I110-I120 HydrophobicContact CG2-CG1 4.43Å
111	S	96.5	Very high	95.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.9	-5.9	-177.9	71.7	0	0	0	0	114.3	L107 I108 R109 S113 R117 N150	L107-S111 VanDerWaalsContact O-CB 3.29Å; L107-S111 WeakPolarHBondContact O-CB 3.22Å; L107-S111 PolarHBondContact O-N 3.28Å; L107-S111 PolarHBondContact O-OG 3.46Å; I108-S111 WeakPolarHBondContact CA-OG 3.48Å; I108-S111 PolarHBondContact O-N 3.31Å; I108-S111 VanDerWaalsContact O-N 3.11Å; I108-S111 PolarHBondContact O-OG 3.4Å; R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.03Å; S111-S113 PolarHBondContact O-N 3.04Å; S111-R117 WeakPolarHBondContact O-CG 3.42Å; S111-R117 PolarHBondContact O-NE 2.96Å; S111-N150 VanDerWaalsContact OG-CB 3.25Å; S111-N150 WeakPolarHBondContact OG-CB 3.27Å; S111-N150 PolarHBondContact OG-ND2 3.17Å
112	E	94.6	Very high	95.3	Very high	94 Å²	94	43 Å²	43	44%	0.439	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-33.5	171.7	-71.2	169.1	-168.8	0	0	110.9	I108 R109 I110 R117	I108-E112 PolarHBondContact O-N 3.29Å; R109-E112 VanDerWaalsContact CD-OE2 3.26Å; R109-E112 WeakPolarHBondContact CD-OE2 3.23Å; R109-E112 IonicContact CZ-OE2 3.87Å; R109-E112 IonicContact NE-OE2 3.16Å; R109-E112 IonicContact NH1-OE2 3.88Å; R109-E112 PolarHBondContact NH1-OE2 2.81Å; R109-E112 WeakPolarHBondContact O-CB 3.44Å; R109-E112 PolarHBondContact O-N 3.17Å; I110-E112 PolarHBondContact O-N 3.07Å; E112-R117 PolarHBondContact O-NH2 3.44Å
113	S	93.2	Very high	95.1	Very high	31 Å²	31	41.9 Å²	41.9	22%	0.217	20%	0.197	C	C	.	.	S	Bend	trans	-85.1	145.2	174.7	74.9	0	0	0	0	112.7	I110 S111 R115 G116 R117	I110-S113 PolarHBondContact O-N 2.72Å; I110-S113 PolarHBondContact O-OG 3.08Å; S111-S113 PolarHBondContact O-N 3.04Å; S113-R115 VanDerWaalsContact C-N 3.31Å; S113-R115 PolarHBondContact O-N 3.3Å; S113-G116 PolarHBondContact O-N 2.88Å; S113-G116 PolarHBondContact OG-N 2.88Å; S113-R117 WeakPolarHBondContact O-CG 3.39Å; S113-R117 PolarHBondContact O-N 3.35Å
114	L	92.1	Very high	94.5	Very high	109 Å²	109	46.9 Å²	46.9	57%	0.571	23%	0.228	S	C	*	.	H	α-helix	trans	-58.4	-43.3	175.1	178.4	61.1	0	0	0	111.9	G116 R117 I118 V154	L114-G116 VanDerWaalsContact C-N 3.29Å; L114-G116 PolarHBondContact O-N 3.38Å; L114-R117 PolarHBondContact O-N 3.48Å; L114-I118 HydrophobicContact CD1-CD1 4.17Å; L114-I118 HydrophobicContact CD1-CG1 4.38Å; L114-I118 HydrophobicContact CG-CD1 4.04Å; L114-I118 WeakPolarHBondContact O-CG1 3.26Å; L114-I118 PolarHBondContact O-N 3.08Å; L114-V154 HydrophobicContact CD1-CG2 4.04Å
115	R	93.2	Very high	94	Very high	154 Å²	154	51.1 Å²	51.1	58%	0.581	25%	0.251	S	S	*	.	H	α-helix	trans	-59.5	-40.8	177.5	-174.2	177.3	179.6	170.4	1.2	111.7	L80 S113 A119	L80-R115 HydrophobicContact CD1-CB 4.36Å; L80-R115 HydrophobicContact CD1-CG 4.25Å; S113-R115 VanDerWaalsContact C-N 3.31Å; S113-R115 PolarHBondContact O-N 3.3Å; R115-A119 WeakPolarHBondContact O-CB 3.39Å; R115-A119 PolarHBondContact O-N 3.26Å
116	G	95.6	Very high	93.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69	-37.6	176.5	0	0	0	0	0	113.4	I110 S113 L114 A119 I120	I110-G116 WeakPolarHBondContact O-CA 3.45Å; S113-G116 PolarHBondContact O-N 2.88Å; S113-G116 PolarHBondContact OG-N 2.88Å; L114-G116 VanDerWaalsContact C-N 3.29Å; L114-G116 PolarHBondContact O-N 3.38Å; G116-A119 PolarHBondContact O-N 3.48Å; G116-I120 WeakPolarHBondContact O-CD1 3.27Å; G116-I120 VanDerWaalsContact O-CG1 3.27Å; G116-I120 WeakPolarHBondContact O-CG1 3.39Å; G116-I120 PolarHBondContact O-N 3.5Å
117	R	95.2	Very high	93.3	Very high	61 Å²	61	48.4 Å²	48.4	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-47.9	173.1	-63.3	168	-162.4	-179.6	6.7	111.2	S111 E112 S113 L114 I120 L121 N150 L151 V154	S111-R117 WeakPolarHBondContact O-CG 3.42Å; S111-R117 PolarHBondContact O-NE 2.96Å; E112-R117 PolarHBondContact O-NH2 3.44Å; S113-R117 WeakPolarHBondContact O-CG 3.39Å; S113-R117 PolarHBondContact O-N 3.35Å; L114-R117 PolarHBondContact O-N 3.48Å; R117-I120 PolarHBondContact O-N 3.36Å; R117-L121 WeakPolarHBondContact O-CD1 3.34Å; R117-L121 VanDerWaalsContact O-CG 3.24Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 2.89Å; R117-N150 WeakPolarHBondContact CD-O 3.48Å; R117-N150 PolarHBondContact NE-O 3.03Å; R117-L151 HydrophobicContact CB-CD2 4.19Å; R117-L151 HydrophobicContact CG-CD2 4.4Å; R117-V154 HydrophobicContact CB-CG2 3.73Å
118	I	93.5	Very high	92.9	Very high	66 Å²	66	53.2 Å²	53.2	34%	0.338	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-49.5	178.1	-66.7	169.4	0	0	0	110.2	L114 I120 L121 E122	L114-I118 HydrophobicContact CD1-CD1 4.17Å; L114-I118 HydrophobicContact CD1-CG1 4.38Å; L114-I118 HydrophobicContact CG-CD1 4.04Å; L114-I118 WeakPolarHBondContact O-CG1 3.26Å; L114-I118 PolarHBondContact O-N 3.08Å; I118-I120 VanDerWaalsContact C-N 3.3Å; I118-I120 PolarHBondContact O-N 3.46Å; I118-L121 PolarHBondContact O-N 3Å; I118-E122 HydrophobicContact CG2-CG 4.11Å; I118-E122 WeakPolarHBondContact CG2-OE1 3.39Å; I118-E122 WeakPolarHBondContact O-CB 3.2Å; I118-E122 WeakPolarHBondContact O-CG 3.5Å; I118-E122 PolarHBondContact O-N 3.2Å
119	A	94.3	Very high	92.7	Very high	21 Å²	21	55 Å²	55	17%	0.174	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-40.4	179.2	0	0	0	0	0	112.8	L80 R115 G116 Y123	L80-A119 HydrophobicContact CD2-CB 4.13Å; R115-A119 WeakPolarHBondContact O-CB 3.39Å; R115-A119 PolarHBondContact O-N 3.26Å; G116-A119 PolarHBondContact O-N 3.48Å; A119-Y123 PolarHBondContact O-N 2.84Å
120	I	96.3	Very high	92.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-43.2	175.9	-68.3	164.5	0	0	0	110.8	L89 L107 I110 G116 R117 I118 E122 Y123 S126 L147 L151	L89-I120 HydrophobicContact CD1-CG1 4.46Å; L89-I120 HydrophobicContact CD1-CG2 4.28Å; L89-I120 HydrophobicContact CD2-CG2 4.42Å; L107-I120 HydrophobicContact CD2-CD1 4.14Å; L107-I120 HydrophobicContact CD2-CG1 4.16Å; I110-I120 HydrophobicContact CB-CD1 4.46Å; I110-I120 HydrophobicContact CG2-CD1 3.99Å; I110-I120 HydrophobicContact CG2-CG1 4.43Å; G116-I120 WeakPolarHBondContact O-CD1 3.27Å; G116-I120 VanDerWaalsContact O-CG1 3.27Å; G116-I120 WeakPolarHBondContact O-CG1 3.39Å; G116-I120 PolarHBondContact O-N 3.5Å; R117-I120 PolarHBondContact O-N 3.36Å; I118-I120 VanDerWaalsContact C-N 3.3Å; I118-I120 PolarHBondContact O-N 3.46Å; I120-E122 VanDerWaalsContact C-N 3.34Å; I120-Y123 WeakPolarHBondContact O-CB 3.29Å; I120-Y123 PolarHBondContact O-N 2.97Å; I120-S126 WeakPolarHBondContact O-CB 3.47Å; I120-S126 PolarHBondContact O-OG 3.19Å; I120-L147 HydrophobicContact CD1-CD1 4.15Å; I120-L151 HydrophobicContact CB-CD2 3.9Å; I120-L151 HydrophobicContact CD1-CD2 4.24Å; I120-L151 HydrophobicContact CG2-CD1 3.83Å; I120-L151 HydrophobicContact CG2-CD2 3.78Å; I120-L151 HydrophobicContact CG2-CG 4.44Å
121	L	94	Very high	92.3	Very high	19 Å²	19	54.1 Å²	54.1	10%	0.099	27%	0.265	C	S	.	.	H	α-helix	trans	-68.8	-31	-179.6	-70	164.4	0	0	0	113.3	R117 I118 P127 L151 V154 A157 M160 F161	R117-L121 WeakPolarHBondContact O-CD1 3.34Å; R117-L121 VanDerWaalsContact O-CG 3.24Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 2.89Å; I118-L121 PolarHBondContact O-N 3Å; L121-P127 HydrophobicContact CD2-CG 4.33Å; L121-L151 HydrophobicContact CD2-CB 4.31Å; L121-L151 HydrophobicContact CD2-CD1 4.32Å; L121-L151 HydrophobicContact CG-CD2 4.32Å; L121-V154 HydrophobicContact CD1-CB 3.93Å; L121-V154 HydrophobicContact CD1-CG1 4.15Å; L121-V154 HydrophobicContact CD1-CG2 3.96Å; L121-A157 HydrophobicContact CD1-CB 3.58Å; L121-A157 HydrophobicContact CD2-CB 3.73Å; L121-A157 HydrophobicContact CG-CB 4.32Å; L121-M160 HydrophobicContact CD2-SD 3.95Å; L121-F161 HydrophobicContact CD2-CE2 4.26Å
122	E	91.9	Very high	92	Very high	150 Å²	150	57.5 Å²	57.5	70%	0.701	28%	0.282	S	S	*	.	H	α-helix	trans	-77.7	-20.1	178.1	-73.3	177.3	167.6	0	0	113	I118 I120 T124	I118-E122 HydrophobicContact CG2-CG 4.11Å; I118-E122 WeakPolarHBondContact CG2-OE1 3.39Å; I118-E122 WeakPolarHBondContact O-CB 3.2Å; I118-E122 WeakPolarHBondContact O-CG 3.5Å; I118-E122 PolarHBondContact O-N 3.2Å; I120-E122 VanDerWaalsContact C-N 3.34Å; E122-T124 PolarHBondContact O-N 3.02Å
123	Y	90.5	Very high	91.8	Very high	52 Å²	52	53.3 Å²	53.3	20%	0.204	26%	0.263	C	S	.	.	S	Bend	trans	-62.8	125.8	172.7	-174.7	-91.7	0	0	0	110.4	D86 L89 N90 F93 A119 I120 D125 S126	D86-Y123 HydrophobicContact CB-CD2 3.81Å; D86-Y123 HydrophobicContact CB-CE2 3.81Å; L89-Y123 HydrophobicContact CB-CD1 3.94Å; L89-Y123 HydrophobicContact CB-CD2 4.45Å; L89-Y123 HydrophobicContact CB-CE1 3.91Å; L89-Y123 HydrophobicContact CB-CE2 4.43Å; L89-Y123 HydrophobicContact CB-CG 4.2Å; L89-Y123 VanDerWaalsContact CD1-CB 3.47Å; L89-Y123 HydrophobicContact CD1-CD1 3.79Å; L89-Y123 HydrophobicContact CD1-CD2 4.13Å; L89-Y123 HydrophobicContact CD1-CG 3.51Å; L89-Y123 HydrophobicContact CG-CD1 4.43Å; L89-Y123 HydrophobicContact CG-CG 4.49Å; N90-Y123 WeakPolarHBondContact CB-OH 3.41Å; F93-Y123 HydrophobicContact CD2-CE1 4.19Å; F93-Y123 HydrophobicContact CE2-CD1 4.13Å; F93-Y123 AromaticContact CE2-CE1 3.79Å; F93-Y123 HydrophobicContact CE2-CE1 3.79Å; A119-Y123 PolarHBondContact O-N 2.84Å; I120-Y123 WeakPolarHBondContact O-CB 3.29Å; I120-Y123 PolarHBondContact O-N 2.97Å; Y123-D125 PolarHBondContact O-N 2.84Å; Y123-S126 VanDerWaalsContact O-CB 3.28Å; Y123-S126 WeakPolarHBondContact O-CB 3.39Å; Y123-S126 PolarHBondContact O-N 3.2Å
124	T	84	Confident	91.6	Very high	106 Å²	106	52 Å²	52	65%	0.65	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	125.5	-173	-49.9	0	0	0	0	112.5	E122 S126	E122-T124 PolarHBondContact O-N 3.02Å; T124-S126 PolarHBondContact O-N 3.21Å; T124-S126 VanDerWaalsContact O-N 3.09Å
125	D	85.9	Confident	91.3	Very high	89 Å²	89	52 Å²	52	48%	0.476	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	17.1	179.1	-57.7	-39.1	0	0	0	115.6	Y123 P127 Q128 Q129	Y123-D125 PolarHBondContact O-N 2.84Å; D125-P127 VanDerWaalsContact C-CD 3.47Å; D125-Q128 PolarHBondContact O-N 3.39Å; D125-Q128 PolarHBondContact O-OE1 3.02Å; D125-Q129 HydrophobicContact CB-CG 4.21Å; D125-Q129 WeakPolarHBondContact O-CB 3.43Å; D125-Q129 VanDerWaalsContact O-CG 3.26Å; D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 3.46Å
126	S	89.4	Confident	91	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.7	-41.7	-176.9	85.9	0	0	0	0	113.6	I120 Y123 T124 Q128 Q129 L130	I120-S126 WeakPolarHBondContact O-CB 3.47Å; I120-S126 PolarHBondContact O-OG 3.19Å; Y123-S126 VanDerWaalsContact O-CB 3.28Å; Y123-S126 WeakPolarHBondContact O-CB 3.39Å; Y123-S126 PolarHBondContact O-N 3.2Å; T124-S126 PolarHBondContact O-N 3.21Å; T124-S126 VanDerWaalsContact O-N 3.09Å; S126-Q128 PolarHBondContact O-N 3.06Å; S126-Q129 PolarHBondContact O-N 3.42Å; S126-L130 WeakPolarHBondContact O-CB 3.41Å; S126-L130 WeakPolarHBondContact O-CG 3.42Å; S126-L130 PolarHBondContact O-N 3.42Å
127	P	89.5	Confident	90.4	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.032	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-46.6	177.8	-22.2	35.7	0	0	0	111.5	L121 D125 Q129 L130 L131 M160 F161	L121-P127 HydrophobicContact CD2-CG 4.33Å; D125-P127 VanDerWaalsContact C-CD 3.47Å; P127-Q129 PolarHBondContact O-N 3.42Å; P127-L130 PolarHBondContact O-N 3.36Å; P127-L131 VanDerWaalsContact O-CG 3.28Å; P127-L131 WeakPolarHBondContact O-CG 3.28Å; P127-L131 PolarHBondContact O-N 3.41Å; P127-M160 HydrophobicContact CB-CB 4.07Å; P127-M160 HydrophobicContact CG-CB 4.11Å; P127-M160 HydrophobicContact CG-SD 3.87Å; P127-F161 HydrophobicContact CB-CD1 4.48Å; P127-F161 HydrophobicContact CB-CE1 3.88Å; P127-F161 HydrophobicContact CB-CE2 4.45Å; P127-F161 HydrophobicContact CB-CZ 3.86Å
128	Q	90.8	Very high	89.8	Confident	101 Å²	101	58.8 Å²	58.8	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-43.2	179	-65.4	84.9	-13.5	0	0	111.3	D125 S126 L131 L132	D125-Q128 PolarHBondContact O-N 3.39Å; D125-Q128 PolarHBondContact O-OE1 3.02Å; S126-Q128 PolarHBondContact O-N 3.06Å; Q128-L131 PolarHBondContact O-N 2.97Å; Q128-L132 WeakPolarHBondContact O-CG 3.49Å; Q128-L132 PolarHBondContact O-N 3.18Å
129	Q	92.6	Very high	89.6	Confident	60 Å²	60	63.1 Å²	63.1	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-38.9	178.4	-68.5	-66.9	-23.3	0	0	112.1	F93 D125 S126 P127 L132 Q133	F93-Q129 HydrophobicContact CD1-CB 3.83Å; F93-Q129 HydrophobicContact CD2-CB 4.01Å; F93-Q129 HydrophobicContact CD2-CG 4.12Å; F93-Q129 HydrophobicContact CE1-CB 3.5Å; F93-Q129 HydrophobicContact CE2-CB 3.68Å; F93-Q129 HydrophobicContact CE2-CG 4.05Å; F93-Q129 HydrophobicContact CG-CB 4.09Å; F93-Q129 HydrophobicContact CG-CG 4.43Å; F93-Q129 HydrophobicContact CZ-CB 3.42Å; F93-Q129 VanDerWaalsContact CZ-CB 3.42Å; F93-Q129 HydrophobicContact CZ-CG 4.29Å; D125-Q129 HydrophobicContact CB-CG 4.21Å; D125-Q129 WeakPolarHBondContact O-CB 3.43Å; D125-Q129 VanDerWaalsContact O-CG 3.26Å; D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 3.46Å; S126-Q129 PolarHBondContact O-N 3.42Å; P127-Q129 PolarHBondContact O-N 3.42Å; Q129-L132 WeakPolarHBondContact O-CB 3.27Å; Q129-L132 PolarHBondContact O-N 2.89Å; Q129-Q133 WeakPolarHBondContact O-CG 3.31Å; Q129-Q133 PolarHBondContact O-N 2.83Å
130	L	93.1	Very high	89.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-42	174.2	-73.5	172.6	0	0	0	111.6	L92 F93 S126 P127 L132 Q133 L134 L147 L151	L92-L130 HydrophobicContact CD2-CD2 4.17Å; F93-L130 HydrophobicContact CE1-CD2 4.28Å; F93-L130 HydrophobicContact CE1-CG 4.49Å; S126-L130 WeakPolarHBondContact O-CB 3.41Å; S126-L130 WeakPolarHBondContact O-CG 3.42Å; S126-L130 PolarHBondContact O-N 3.42Å; P127-L130 PolarHBondContact O-N 3.36Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 3.28Å; L130-Q133 PolarHBondContact O-N 3.01Å; L130-L134 WeakPolarHBondContact O-CB 3.22Å; L130-L134 PolarHBondContact O-N 3.34Å; L130-L147 HydrophobicContact CD1-CD2 4.16Å; L130-L147 HydrophobicContact CD2-CD2 3.76Å; L130-L151 HydrophobicContact CD1-CD1 3.74Å
131	L	91.7	Very high	89.2	Confident	18 Å²	18	62.5 Å²	62.5	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-40.9	173.8	-68.5	179.8	0	0	0	111.9	P127 Q128 L134 Q135 I148 F161 V163 F166	P127-L131 VanDerWaalsContact O-CG 3.28Å; P127-L131 WeakPolarHBondContact O-CG 3.28Å; P127-L131 PolarHBondContact O-N 3.41Å; Q128-L131 PolarHBondContact O-N 2.97Å; L131-L134 PolarHBondContact O-N 3.41Å; L131-Q135 WeakPolarHBondContact O-CG 3.5Å; L131-Q135 PolarHBondContact O-N 2.97Å; L131-Q135 VanDerWaalsContact O-N 3.13Å; L131-I148 HydrophobicContact CD2-CD1 4.46Å; L131-F161 HydrophobicContact CD1-CD1 4.38Å; L131-F161 HydrophobicContact CD2-CD1 4.01Å; L131-F161 HydrophobicContact CD2-CE1 4.46Å; L131-F161 HydrophobicContact CG-CD1 4.17Å; L131-F161 HydrophobicContact CG-CE1 4.4Å; L131-V163 HydrophobicContact CD1-CG2 3.71Å; L131-F166 HydrophobicContact CD1-CB 4.41Å; L131-F166 HydrophobicContact CD2-CB 3.94Å; L131-F166 HydrophobicContact CD2-CD1 3.97Å; L131-F166 HydrophobicContact CD2-CD2 3.21Å; L131-F166 HydrophobicContact CD2-CE1 4.16Å; L131-F166 HydrophobicContact CD2-CE2 3.5Å; L131-F166 VanDerWaalsContact CD2-CE2 3.5Å; L131-F166 HydrophobicContact CD2-CG 3.44Å; L131-F166 VanDerWaalsContact CD2-CG 3.44Å; L131-F166 HydrophobicContact CD2-CZ 3.92Å
132	L	90.3	Very high	89.2	Confident	71 Å²	71	63.6 Å²	63.6	37%	0.372	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-41.9	174.5	-71.3	171.7	0	0	0	112.1	Q128 Q129 L130 L134 Q135 K136	Q128-L132 WeakPolarHBondContact O-CG 3.49Å; Q128-L132 PolarHBondContact O-N 3.18Å; Q129-L132 WeakPolarHBondContact O-CB 3.27Å; Q129-L132 PolarHBondContact O-N 2.89Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 3.28Å; L132-L134 VanDerWaalsContact C-N 3.35Å; L132-Q135 PolarHBondContact O-N 2.88Å; L132-K136 WeakPolarHBondContact O-CB 3.02Å; L132-K136 VanDerWaalsContact O-CG 3.27Å; L132-K136 WeakPolarHBondContact O-CG 3.36Å; L132-K136 PolarHBondContact O-N 2.97Å
133	Q	90.5	Very high	89.3	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-40.3	176.6	-69.5	-61.6	-35	0	0	111.8	F93 Q129 L130 Q135 K136 S137 I144	F93-Q133 HydrophobicContact CD1-CG 4.12Å; F93-Q133 HydrophobicContact CE1-CG 4.44Å; Q129-Q133 WeakPolarHBondContact O-CG 3.31Å; Q129-Q133 PolarHBondContact O-N 2.83Å; L130-Q133 PolarHBondContact O-N 3.01Å; Q133-Q135 VanDerWaalsContact C-N 3.29Å; Q133-Q135 PolarHBondContact O-N 3.38Å; Q133-K136 PolarHBondContact O-N 3.01Å; Q133-S137 PolarHBondContact O-N 3.06Å; Q133-I144 HydrophobicContact CB-CD1 3.82Å
134	L	90.3	Very high	89.5	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-39.8	177.1	-176.4	62.2	0	0	0	112	L130 L131 L132 I144 L145 I148 F166 Y169	L130-L134 WeakPolarHBondContact O-CB 3.22Å; L130-L134 PolarHBondContact O-N 3.34Å; L131-L134 PolarHBondContact O-N 3.41Å; L132-L134 VanDerWaalsContact C-N 3.35Å; L134-I144 HydrophobicContact CB-CG2 3.92Å; L134-I144 HydrophobicContact CD1-CB 4.21Å; L134-I144 HydrophobicContact CD1-CG2 4.17Å; L134-L145 HydrophobicContact CD1-CD1 4.47Å; L134-L145 HydrophobicContact CD1-CD2 4.28Å; L134-L145 HydrophobicContact CD1-CG 3.93Å; L134-L145 HydrophobicContact CD2-CD2 3.79Å; L134-L145 HydrophobicContact CD2-CG 4.37Å; L134-I148 HydrophobicContact CD2-CD1 4.36Å; L134-F166 HydrophobicContact CD2-CD2 4.1Å; L134-F166 HydrophobicContact CD2-CE2 3.51Å; L134-Y169 HydrophobicContact CD1-CE1 3.99Å; L134-Y169 HydrophobicContact CD2-CD1 3.88Å; L134-Y169 HydrophobicContact CD2-CE1 3.56Å; L134-Y169 HydrophobicContact CG-CD1 4.35Å; L134-Y169 HydrophobicContact CG-CE1 3.74Å
135	Q	85.1	Confident	90.1	Very high	107 Å²	107	51.2 Å²	51.2	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-71.8	-31.7	176.9	-71	175.6	-11.8	0	0	112.8	L131 L132 Q133	L131-Q135 WeakPolarHBondContact O-CG 3.5Å; L131-Q135 PolarHBondContact O-N 2.97Å; L131-Q135 VanDerWaalsContact O-N 3.13Å; L132-Q135 PolarHBondContact O-N 2.88Å; Q133-Q135 VanDerWaalsContact C-N 3.29Å; Q133-Q135 PolarHBondContact O-N 3.38Å
136	K	86.2	Confident	90.5	Very high	151 Å²	151	49.7 Å²	49.7	66%	0.657	23%	0.23	S	C	*	.	H	α-helix	trans	-78.2	-38.5	-178.6	-75	175.7	-177.4	-177.3	0	113.5	L132 Q133	L132-K136 WeakPolarHBondContact O-CB 3.02Å; L132-K136 VanDerWaalsContact O-CG 3.27Å; L132-K136 WeakPolarHBondContact O-CG 3.36Å; L132-K136 PolarHBondContact O-N 2.97Å; Q133-K136 PolarHBondContact O-N 3.01Å
137	S	82.5	Confident	90.8	Very high	8 Å²	8	49.7 Å²	49.7	6%	0.056	23%	0.23	C	C	.	.			trans	-122.9	106.6	-170.6	-172.5	0	0	0	0	112.7	Q133 K139 F140 S141	Q133-S137 PolarHBondContact O-N 3.06Å; S137-K139 PolarHBondContact O-N 3.29Å; S137-K139 PolarHBondContact OG-N 3.27Å; S137-F140 VanDerWaalsContact OG-CD2 3.27Å; S137-F140 WeakPolarHBondContact OG-CD2 3.34Å; S137-F140 PolarHBondContact OG-N 2.88Å; S137-S141 PolarHBondContact O-N 2.99Å; S137-S141 PolarHBondContact O-OG 3.46Å
138	K	83.3	Confident	91.1	Very high	199 Å²	199	49.5 Å²	49.5	87%	0.865	23%	0.228	S	C	*	.	S	Bend	trans	-60.5	-34.6	166.6	-69.1	-174	178.2	-177	0	111.4	F140 S141	K138-F140 VanDerWaalsContact C-N 3.31Å; K138-F140 PolarHBondContact O-N 3.27Å; K138-S141 WeakPolarHBondContact CA-OG 3.48Å; K138-S141 WeakPolarHBondContact O-CB 3.27Å; K138-S141 PolarHBondContact O-N 2.58Å; K138-S141 PolarHBondContact O-OG 3.4Å
139	K	89.1	Confident	91.3	Very high	158 Å²	158	45.7 Å²	45.7	69%	0.687	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.5	-176.6	-173	179.9	177.1	-178.7	0	113.1	S137	S137-K139 PolarHBondContact O-N 3.29Å; S137-K139 PolarHBondContact OG-N 3.27Å
140	F	91.8	Very high	91.4	Very high	6 Å²	6	44 Å²	44	3%	0.026	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	8.5	-176.6	-53.6	-47.5	0	0	0	113.8	E97 K100 P101 L104 S137 K138 N142 Q143 I144	E97-F140 HydrophobicContact CB-CE2 4.45Å; E97-F140 WeakPolarHBondContact O-CZ 2.96Å; E97-F140 WeakPolarHBondContact OE2-CE2 3.42Å; K100-F140 HydrophobicContact CB-CD2 4Å; K100-F140 HydrophobicContact CB-CE2 3.63Å; K100-F140 HydrophobicContact CB-CZ 4.1Å; K100-F140 HydrophobicContact CD-CD2 3.97Å; K100-F140 HydrophobicContact CD-CE2 3.73Å; K100-F140 HydrophobicContact CG-CE2 4.24Å; P101-F140 HydrophobicContact CG-CD1 4.41Å; P101-F140 HydrophobicContact CG-CE1 3.6Å; P101-F140 HydrophobicContact CG-CZ 3.97Å; L104-F140 HydrophobicContact CD1-CB 3.77Å; L104-F140 HydrophobicContact CD1-CG 4.12Å; S137-F140 VanDerWaalsContact OG-CD2 3.27Å; S137-F140 WeakPolarHBondContact OG-CD2 3.34Å; S137-F140 PolarHBondContact OG-N 2.88Å; K138-F140 VanDerWaalsContact C-N 3.31Å; K138-F140 PolarHBondContact O-N 3.27Å; F140-N142 VanDerWaalsContact C-N 3.26Å; F140-N142 PolarHBondContact O-N 3.24Å; F140-Q143 PolarHBondContact O-N 3.43Å; F140-Q143 VanDerWaalsContact O-N 3.16Å; F140-I144 HydrophobicContact CB-CD1 3.96Å; F140-I144 HydrophobicContact CB-CG1 4.29Å; F140-I144 VanDerWaalsContact O-CG1 3.32Å; F140-I144 WeakPolarHBondContact O-CG1 3.5Å; F140-I144 PolarHBondContact O-N 3.3Å
141	S	91.8	Very high	91.5	Very high	2 Å²	2	44 Å²	44	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-56.1	-41.1	-175.8	-68.8	0	0	0	0	112.2	S137 K138 I144 L145 Y169	S137-S141 PolarHBondContact O-N 2.99Å; S137-S141 PolarHBondContact O-OG 3.46Å; K138-S141 WeakPolarHBondContact CA-OG 3.48Å; K138-S141 WeakPolarHBondContact O-CB 3.27Å; K138-S141 PolarHBondContact O-N 2.58Å; K138-S141 PolarHBondContact O-OG 3.4Å; S141-I144 PolarHBondContact O-N 2.91Å; S141-L145 VanDerWaalsContact O-CB 3.3Å; S141-L145 WeakPolarHBondContact O-CB 3.43Å; S141-L145 VanDerWaalsContact O-CG 3.23Å; S141-L145 WeakPolarHBondContact O-CG 3.25Å; S141-L145 PolarHBondContact O-N 3.43Å; S141-Y169 PolarHBondContact OG-OH 2.67Å
142	N	92.5	Very high	91.5	Very high	41 Å²	41	43.1 Å²	43.1	22%	0.219	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-47.6	177.6	-77.4	-19.4	0	0	0	112.8	F140 L145 Q146 L179 R182	F140-N142 VanDerWaalsContact C-N 3.26Å; F140-N142 PolarHBondContact O-N 3.24Å; N142-L145 PolarHBondContact O-N 2.82Å; N142-Q146 WeakPolarHBondContact O-CB 3.43Å; N142-Q146 PolarHBondContact O-N 2.82Å; N142-L179 WeakPolarHBondContact OD1-CA 3.47Å; N142-L179 WeakPolarHBondContact OD1-CB 3.14Å; N142-L179 WeakPolarHBondContact OD1-CD1 3.26Å; N142-R182 VanDerWaalsContact O-CD 3.29Å; N142-R182 WeakPolarHBondContact O-CD 3.32Å
143	Q	94.7	Very high	91.3	Very high	45 Å²	45	41.6 Å²	41.6	21%	0.21	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-40.4	178.8	-71.1	178	-65.1	0	0	112	P101 L104 N105 I108 F140 Q146 L147	P101-Q143 PolarHBondContact O-NE2 3.31Å; L104-Q143 HydrophobicContact CB-CB 4.12Å; L104-Q143 HydrophobicContact CD1-CB 3.84Å; L104-Q143 HydrophobicContact CG-CB 4.45Å; N105-Q143 PolarHBondContact OD1-NE2 3.38Å; I108-Q143 HydrophobicContact CD1-CB 4.21Å; F140-Q143 PolarHBondContact O-N 3.43Å; F140-Q143 VanDerWaalsContact O-N 3.16Å; Q143-Q146 WeakPolarHBondContact O-CB 3.43Å; Q143-Q146 PolarHBondContact O-N 3.43Å; Q143-L147 PolarHBondContact O-N 3.25Å
144	I	95.3	Very high	91.2	Very high	3 Å²	3	42 Å²	42	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-42.8	177.7	-64	165.7	0	0	0	110.2	L104 Q133 L134 F140 S141 L147 I148	L104-I144 HydrophobicContact CD1-CG1 4.04Å; L104-I144 HydrophobicContact CD2-CG1 3.84Å; Q133-I144 HydrophobicContact CB-CD1 3.82Å; L134-I144 HydrophobicContact CB-CG2 3.92Å; L134-I144 HydrophobicContact CD1-CB 4.21Å; L134-I144 HydrophobicContact CD1-CG2 4.17Å; F140-I144 HydrophobicContact CB-CD1 3.96Å; F140-I144 HydrophobicContact CB-CG1 4.29Å; F140-I144 VanDerWaalsContact O-CG1 3.32Å; F140-I144 WeakPolarHBondContact O-CG1 3.5Å; F140-I144 PolarHBondContact O-N 3.3Å; S141-I144 PolarHBondContact O-N 2.91Å; I144-L147 WeakPolarHBondContact O-CB 3.38Å; I144-L147 PolarHBondContact O-N 2.96Å; I144-I148 HydrophobicContact CG2-CD1 3.92Å; I144-I148 HydrophobicContact CG2-CG1 4.47Å; I144-I148 WeakPolarHBondContact O-CG1 3.44Å; I144-I148 PolarHBondContact O-N 3.38Å
145	L	95.1	Very high	90.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-34.3	175.7	-71.3	171.3	0	0	0	112.4	L134 S141 N142 I148 T149 F166 L170 L179 R182 K183 V186	L134-L145 HydrophobicContact CD1-CD1 4.47Å; L134-L145 HydrophobicContact CD1-CD2 4.28Å; L134-L145 HydrophobicContact CD1-CG 3.93Å; L134-L145 HydrophobicContact CD2-CD2 3.79Å; L134-L145 HydrophobicContact CD2-CG 4.37Å; S141-L145 VanDerWaalsContact O-CB 3.3Å; S141-L145 WeakPolarHBondContact O-CB 3.43Å; S141-L145 VanDerWaalsContact O-CG 3.23Å; S141-L145 WeakPolarHBondContact O-CG 3.25Å; S141-L145 PolarHBondContact O-N 3.43Å; N142-L145 PolarHBondContact O-N 2.82Å; L145-I148 PolarHBondContact O-N 3.39Å; L145-T149 WeakPolarHBondContact O-CB 3.34Å; L145-T149 PolarHBondContact O-N 2.81Å; L145-T149 PolarHBondContact O-OG1 2.76Å; L145-F166 HydrophobicContact CD2-CE2 4.39Å; L145-L170 HydrophobicContact CD2-CD2 3.77Å; L145-L179 HydrophobicContact CD1-CD1 3.49Å; L145-L179 VanDerWaalsContact CD1-CD1 3.49Å; L145-R182 HydrophobicContact CB-CG 3.71Å; L145-R182 HydrophobicContact CD1-CG 4.28Å; L145-K183 HydrophobicContact CD1-CG 3.91Å; L145-V186 HydrophobicContact CB-CG2 4.41Å; L145-V186 HydrophobicContact CD2-CB 4.45Å; L145-V186 HydrophobicContact CD2-CG1 4.36Å; L145-V186 HydrophobicContact CD2-CG2 4.12Å
146	Q	95.2	Very high	91	Very high	58 Å²	58	43.4 Å²	43.4	27%	0.271	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-46.9	170.6	179	69	54.9	0	0	110.9	I108 N142 Q143 T149 N150 R182	I108-Q146 HydrophobicContact CD1-CB 4.12Å; I108-Q146 HydrophobicContact CD1-CG 3.98Å; I108-Q146 HydrophobicContact CG1-CG 4.16Å; I108-Q146 HydrophobicContact CG2-CG 4.01Å; N142-Q146 WeakPolarHBondContact O-CB 3.43Å; N142-Q146 PolarHBondContact O-N 2.82Å; Q143-Q146 WeakPolarHBondContact O-CB 3.43Å; Q143-Q146 PolarHBondContact O-N 3.43Å; Q146-T149 WeakPolarHBondContact O-CB 3.48Å; Q146-T149 PolarHBondContact O-N 3.16Å; Q146-N150 PolarHBondContact NE2-OD1 3.09Å; Q146-N150 PolarHBondContact O-N 2.98Å; Q146-N150 VanDerWaalsContact O-N 3.12Å; Q146-N150 PolarHBondContact O-OD1 3.16Å; Q146-R182 VanDerWaalsContact CA-NH1 3.28Å; Q146-R182 VanDerWaalsContact CB-NH1 3.31Å; Q146-R182 VanDerWaalsContact CD-NH1 3.32Å
147	L	96.4	Very high	91.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-49.9	176.5	179.2	57.8	0	0	0	110.9	L104 L107 I108 I120 L130 Q143 I144 T149 N150 L151	L104-L147 HydrophobicContact CD2-CD2 4.35Å; L107-L147 HydrophobicContact CB-CD1 4.15Å; L107-L147 HydrophobicContact CB-CD2 4Å; L107-L147 HydrophobicContact CD1-CD2 4.35Å; I108-L147 HydrophobicContact CG1-CB 4.06Å; I120-L147 HydrophobicContact CD1-CD1 4.15Å; L130-L147 HydrophobicContact CD1-CD2 4.16Å; L130-L147 HydrophobicContact CD2-CD2 3.76Å; Q143-L147 PolarHBondContact O-N 3.25Å; I144-L147 WeakPolarHBondContact O-CB 3.38Å; I144-L147 PolarHBondContact O-N 2.96Å; L147-T149 VanDerWaalsContact C-N 3.28Å; L147-T149 PolarHBondContact O-N 3.14Å; L147-N150 WeakPolarHBondContact O-CB 3.32Å; L147-N150 PolarHBondContact O-N 3.12Å; L147-N150 VanDerWaalsContact O-N 3.1Å; L147-L151 HydrophobicContact CD1-CG 4.45Å; L147-L151 HydrophobicContact CG-CD1 4.39Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 3.31Å
148	I	95.5	Very high	91.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.4	-41.2	177.7	-68	169.1	0	0	0	111.2	L131 L134 I144 L145 N150 L151 L152 F161 F166 V186	L131-I148 HydrophobicContact CD2-CD1 4.46Å; L134-I148 HydrophobicContact CD2-CD1 4.36Å; I144-I148 HydrophobicContact CG2-CD1 3.92Å; I144-I148 HydrophobicContact CG2-CG1 4.47Å; I144-I148 WeakPolarHBondContact O-CG1 3.44Å; I144-I148 PolarHBondContact O-N 3.38Å; L145-I148 PolarHBondContact O-N 3.39Å; I148-N150 VanDerWaalsContact C-N 3.3Å; I148-N150 PolarHBondContact O-N 3.19Å; I148-L151 PolarHBondContact O-N 2.69Å; I148-L151 VanDerWaalsContact O-N 3.13Å; I148-L152 HydrophobicContact CG2-CD1 3.81Å; I148-L152 HydrophobicContact CG2-CG 4.11Å; I148-L152 VanDerWaalsContact O-CG 3.28Å; I148-L152 WeakPolarHBondContact O-CG 3.37Å; I148-L152 PolarHBondContact O-N 3Å; I148-F161 HydrophobicContact CD1-CE1 4.25Å; I148-F161 HydrophobicContact CG1-CE1 3.98Å; I148-F161 HydrophobicContact CG1-CZ 4.25Å; I148-F161 HydrophobicContact CG2-CD1 4.19Å; I148-F161 HydrophobicContact CG2-CD2 4.45Å; I148-F161 HydrophobicContact CG2-CE1 4.21Å; I148-F161 HydrophobicContact CG2-CE2 4.46Å; I148-F161 HydrophobicContact CG2-CG 4.32Å; I148-F161 HydrophobicContact CG2-CZ 4.35Å; I148-F166 HydrophobicContact CD1-CE2 4.34Å; I148-F166 HydrophobicContact CD1-CZ 4.11Å; I148-F166 HydrophobicContact CG2-CZ 4.16Å; I148-V186 HydrophobicContact CG2-CG1 4Å
149	T	94.7	Very high	91.6	Very high	21 Å²	21	34 Å²	34	13%	0.129	18%	0.179	C	C	.	.	H	α-helix	trans	-55	-47.2	175.6	-58.1	0	0	0	0	110.9	L145 Q146 L147 L151 L152 L185 V186 L189	L145-T149 WeakPolarHBondContact O-CB 3.34Å; L145-T149 PolarHBondContact O-N 2.81Å; L145-T149 PolarHBondContact O-OG1 2.76Å; Q146-T149 WeakPolarHBondContact O-CB 3.48Å; Q146-T149 PolarHBondContact O-N 3.16Å; L147-T149 VanDerWaalsContact C-N 3.28Å; L147-T149 PolarHBondContact O-N 3.14Å; T149-L151 PolarHBondContact O-N 3.41Å; T149-L152 PolarHBondContact O-N 3.15Å; T149-L185 HydrophobicContact CG2-CD2 3.82Å; T149-L185 HydrophobicContact CG2-CG 4.37Å; T149-V186 VanDerWaalsContact OG1-CG2 3.24Å; T149-V186 WeakPolarHBondContact OG1-CG2 3.29Å; T149-L189 HydrophobicContact CG2-CD1 3.7Å
150	N	94.6	Very high	91.6	Very high	25 Å²	25	30.6 Å²	30.6	13%	0.134	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-42.1	178	-67.7	-2.6	0	0	0	111.5	S111 R117 Q146 L147 I148 L152 G153	S111-N150 VanDerWaalsContact OG-CB 3.25Å; S111-N150 WeakPolarHBondContact OG-CB 3.27Å; S111-N150 PolarHBondContact OG-ND2 3.17Å; R117-N150 WeakPolarHBondContact CD-O 3.48Å; R117-N150 PolarHBondContact NE-O 3.03Å; Q146-N150 PolarHBondContact NE2-OD1 3.09Å; Q146-N150 PolarHBondContact O-N 2.98Å; Q146-N150 VanDerWaalsContact O-N 3.12Å; Q146-N150 PolarHBondContact O-OD1 3.16Å; L147-N150 WeakPolarHBondContact O-CB 3.32Å; L147-N150 PolarHBondContact O-N 3.12Å; L147-N150 VanDerWaalsContact O-N 3.1Å; I148-N150 VanDerWaalsContact C-N 3.3Å; I148-N150 PolarHBondContact O-N 3.19Å; N150-L152 PolarHBondContact O-N 3.29Å; N150-G153 PolarHBondContact O-N 3.37Å
151	L	94.8	Very high	91.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-36.3	179.1	-61.1	-179.2	0	0	0	112.9	R117 I120 L121 L130 L147 I148 T149 G153 V154 F161	R117-L151 HydrophobicContact CB-CD2 4.19Å; R117-L151 HydrophobicContact CG-CD2 4.4Å; I120-L151 HydrophobicContact CB-CD2 3.9Å; I120-L151 HydrophobicContact CD1-CD2 4.24Å; I120-L151 HydrophobicContact CG2-CD1 3.83Å; I120-L151 HydrophobicContact CG2-CD2 3.78Å; I120-L151 HydrophobicContact CG2-CG 4.44Å; L121-L151 HydrophobicContact CD2-CB 4.31Å; L121-L151 HydrophobicContact CD2-CD1 4.32Å; L121-L151 HydrophobicContact CG-CD2 4.32Å; L130-L151 HydrophobicContact CD1-CD1 3.74Å; L147-L151 HydrophobicContact CD1-CG 4.45Å; L147-L151 HydrophobicContact CG-CD1 4.39Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 3.31Å; I148-L151 PolarHBondContact O-N 2.69Å; I148-L151 VanDerWaalsContact O-N 3.13Å; T149-L151 PolarHBondContact O-N 3.41Å; L151-G153 PolarHBondContact O-N 3.34Å; L151-G153 VanDerWaalsContact O-N 3.13Å; L151-V154 WeakPolarHBondContact O-CB 3.34Å; L151-V154 PolarHBondContact O-N 3.36Å; L151-F161 HydrophobicContact CB-CE2 4.21Å; L151-F161 HydrophobicContact CD1-CE2 4.4Å; L151-F161 HydrophobicContact CD1-CZ 4.05Å
152	L	92.1	Very high	91.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.8	176.8	-69.9	170.6	0	0	0	113.8	I148 T149 N150 V154 R158 F161 V186 L189 V190	I148-L152 HydrophobicContact CG2-CD1 3.81Å; I148-L152 HydrophobicContact CG2-CG 4.11Å; I148-L152 VanDerWaalsContact O-CG 3.28Å; I148-L152 WeakPolarHBondContact O-CG 3.37Å; I148-L152 PolarHBondContact O-N 3Å; T149-L152 PolarHBondContact O-N 3.15Å; N150-L152 PolarHBondContact O-N 3.29Å; L152-V154 PolarHBondContact O-N 3.1Å; L152-R158 HydrophobicContact CD2-CB 4.33Å; L152-R158 HydrophobicContact CD2-CG 4Å; L152-R158 PolarHBondContact O-NE 3.49Å; L152-F161 HydrophobicContact CD2-CB 4.15Å; L152-F161 HydrophobicContact CD2-CD2 3.67Å; L152-F161 HydrophobicContact CD2-CG 4.25Å; L152-F161 HydrophobicContact CG-CD2 4.3Å; L152-V186 HydrophobicContact CD1-CG1 3.88Å; L152-L189 HydrophobicContact CB-CB 4.13Å; L152-L189 HydrophobicContact CB-CD1 4.35Å; L152-L189 HydrophobicContact CD1-CB 3.77Å; L152-L189 HydrophobicContact CD1-CD1 4.39Å; L152-V190 HydrophobicContact CD1-CG2 3.67Å; L152-V190 HydrophobicContact CD2-CG2 3.89Å; L152-V190 HydrophobicContact CG-CG2 4.47Å
153	G	85.6	Confident	91.1	Very high	39 Å²	39	35.1 Å²	35.1	40%	0.402	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.6	165.6	0	0	0	0	0	113.5	N150 L151 P155	N150-G153 PolarHBondContact O-N 3.37Å; L151-G153 PolarHBondContact O-N 3.34Å; L151-G153 VanDerWaalsContact O-N 3.13Å; G153-P155 WeakPolarHBondContact O-CD 3.48Å
154	V	88.5	Confident	90.8	Very high	16 Å²	16	38.3 Å²	38.3	10%	0.097	22%	0.218	C	C	.	.	S	Bend	trans	-90.5	112.7	169.4	-178.2	0	0	0	0	108.4	L114 R117 L121 L151 L152 T156 A157	L114-V154 HydrophobicContact CD1-CG2 4.04Å; R117-V154 HydrophobicContact CB-CG2 3.73Å; L121-V154 HydrophobicContact CD1-CB 3.93Å; L121-V154 HydrophobicContact CD1-CG1 4.15Å; L121-V154 HydrophobicContact CD1-CG2 3.96Å; L151-V154 WeakPolarHBondContact O-CB 3.34Å; L151-V154 PolarHBondContact O-N 3.36Å; L152-V154 PolarHBondContact O-N 3.1Å; V154-T156 VanDerWaalsContact C-N 3.26Å; V154-T156 WeakPolarHBondContact CG1-OG1 3.3Å; V154-T156 PolarHBondContact O-N 2.85Å; V154-T156 VanDerWaalsContact O-N 3.14Å; V154-A157 HydrophobicContact CB-CB 4.04Å; V154-A157 HydrophobicContact CG1-CB 4.44Å; V154-A157 VanDerWaalsContact O-CB 3.24Å; V154-A157 WeakPolarHBondContact O-CB 3.34Å; V154-A157 PolarHBondContact O-N 3.31Å
155	P	84.9	Confident	90.5	Very high	37 Å²	37	46.2 Å²	46.2	24%	0.24	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-58.4	-33.5	-172	-27	35	0	0	0	114.6	G153 A157 R158 S194	G153-P155 WeakPolarHBondContact O-CD 3.48Å; P155-A157 VanDerWaalsContact C-N 3.3Å; P155-A157 PolarHBondContact O-N 3.43Å; P155-R158 PolarHBondContact O-N 3.33Å; P155-S194 VanDerWaalsContact CB-O 3.25Å; P155-S194 WeakPolarHBondContact CB-O 2.97Å
156	T	86.4	Confident	90.3	Very high	102 Å²	102	46.4 Å²	46.4	63%	0.626	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-69.1	-27	176.9	52.5	0	0	0	0	112.9	V154 R158	V154-T156 VanDerWaalsContact C-N 3.26Å; V154-T156 WeakPolarHBondContact CG1-OG1 3.3Å; V154-T156 PolarHBondContact O-N 2.85Å; V154-T156 VanDerWaalsContact O-N 3.14Å; T156-R158 VanDerWaalsContact C-N 3.28Å; T156-R158 PolarHBondContact O-N 3.06Å
157	A	88.3	Confident	90.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-68.8	-24.8	178.3	0	0	0	0	0	113	L121 V154 P155 K159 M160 F161	L121-A157 HydrophobicContact CD1-CB 3.58Å; L121-A157 HydrophobicContact CD2-CB 3.73Å; L121-A157 HydrophobicContact CG-CB 4.32Å; V154-A157 HydrophobicContact CB-CB 4.04Å; V154-A157 HydrophobicContact CG1-CB 4.44Å; V154-A157 VanDerWaalsContact O-CB 3.24Å; V154-A157 WeakPolarHBondContact O-CB 3.34Å; V154-A157 PolarHBondContact O-N 3.31Å; P155-A157 VanDerWaalsContact C-N 3.3Å; P155-A157 PolarHBondContact O-N 3.43Å; A157-K159 PolarHBondContact O-N 3.33Å; A157-M160 VanDerWaalsContact O-CB 3.3Å; A157-M160 WeakPolarHBondContact O-CB 3.45Å; A157-M160 PolarHBondContact O-N 3.42Å; A157-F161 WeakPolarHBondContact O-CD2 3.4Å; A157-F161 PolarHBondContact O-N 3.12Å
158	R	88.7	Confident	90	Very high	11 Å²	11	49.4 Å²	49.4	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-56.3	-38.9	-179.7	-61.5	176.5	-173.3	158.5	3.1	111.9	L152 P155 T156 M160 F161 N162 L189 P193 Q195	L152-R158 HydrophobicContact CD2-CB 4.33Å; L152-R158 HydrophobicContact CD2-CG 4Å; L152-R158 PolarHBondContact O-NE 3.49Å; P155-R158 PolarHBondContact O-N 3.33Å; T156-R158 VanDerWaalsContact C-N 3.28Å; T156-R158 PolarHBondContact O-N 3.06Å; R158-M160 VanDerWaalsContact C-N 3.3Å; R158-M160 PolarHBondContact O-N 3.39Å; R158-F161 PolarHBondContact O-N 2.91Å; R158-N162 WeakPolarHBondContact O-CB 3.33Å; R158-N162 PolarHBondContact O-N 2.91Å; R158-L189 WeakPolarHBondContact CD-O 3.35Å; R158-P193 PolarHBondContact NH1-O 3Å; R158-Q195 PolarHBondContact NH1-O 2.91Å
159	K	87.2	Confident	89.8	Confident	150 Å²	150	51.7 Å²	51.7	65%	0.652	29%	0.286	S	S	*	.	H	α-helix	trans	-65.3	-31.5	176.5	-64.9	-176.1	-179	179.9	0	112.9	A157 F161 N162	A157-K159 PolarHBondContact O-N 3.33Å; K159-F161 VanDerWaalsContact C-N 3.31Å; K159-N162 PolarHBondContact O-N 3.12Å
160	M	90.2	Very high	89.6	Confident	86 Å²	86	51 Å²	51	42%	0.424	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-31.1	178.4	-57.2	174.8	173.1	0	0	111.9	L121 P127 A157 R158	L121-M160 HydrophobicContact CD2-SD 3.95Å; P127-M160 HydrophobicContact CB-CB 4.07Å; P127-M160 HydrophobicContact CG-CB 4.11Å; P127-M160 HydrophobicContact CG-SD 3.87Å; A157-M160 VanDerWaalsContact O-CB 3.3Å; A157-M160 WeakPolarHBondContact O-CB 3.45Å; A157-M160 PolarHBondContact O-N 3.42Å; R158-M160 VanDerWaalsContact C-N 3.3Å; R158-M160 PolarHBondContact O-N 3.39Å
161	F	90.3	Very high	89.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-95	-13.3	177.8	-66.3	-71.7	0	0	0	113.4	L121 P127 L131 I148 L151 L152 A157 R158 K159 V163 F166 V190	L121-F161 HydrophobicContact CD2-CE2 4.26Å; P127-F161 HydrophobicContact CB-CD1 4.48Å; P127-F161 HydrophobicContact CB-CE1 3.88Å; P127-F161 HydrophobicContact CB-CE2 4.45Å; P127-F161 HydrophobicContact CB-CZ 3.86Å; L131-F161 HydrophobicContact CD1-CD1 4.38Å; L131-F161 HydrophobicContact CD2-CD1 4.01Å; L131-F161 HydrophobicContact CD2-CE1 4.46Å; L131-F161 HydrophobicContact CG-CD1 4.17Å; L131-F161 HydrophobicContact CG-CE1 4.4Å; I148-F161 HydrophobicContact CD1-CE1 4.25Å; I148-F161 HydrophobicContact CG1-CE1 3.98Å; I148-F161 HydrophobicContact CG1-CZ 4.25Å; I148-F161 HydrophobicContact CG2-CD1 4.19Å; I148-F161 HydrophobicContact CG2-CD2 4.45Å; I148-F161 HydrophobicContact CG2-CE1 4.21Å; I148-F161 HydrophobicContact CG2-CE2 4.46Å; I148-F161 HydrophobicContact CG2-CG 4.32Å; I148-F161 HydrophobicContact CG2-CZ 4.35Å; L151-F161 HydrophobicContact CB-CE2 4.21Å; L151-F161 HydrophobicContact CD1-CE2 4.4Å; L151-F161 HydrophobicContact CD1-CZ 4.05Å; L152-F161 HydrophobicContact CD2-CB 4.15Å; L152-F161 HydrophobicContact CD2-CD2 3.67Å; L152-F161 HydrophobicContact CD2-CG 4.25Å; L152-F161 HydrophobicContact CG-CD2 4.3Å; A157-F161 WeakPolarHBondContact O-CD2 3.4Å; A157-F161 PolarHBondContact O-N 3.12Å; R158-F161 PolarHBondContact O-N 2.91Å; K159-F161 VanDerWaalsContact C-N 3.31Å; F161-V163 PolarHBondContact O-N 3.45Å; F161-F166 HydrophobicContact CB-CD1 4.23Å; F161-F166 HydrophobicContact CB-CE1 3.94Å; F161-F166 HydrophobicContact CD1-CE1 4.4Å; F161-F166 WeakPolarHBondContact O-CD1 3.35Å; F161-V190 HydrophobicContact CB-CG2 4.16Å
162	N	86.5	Confident	89.4	Confident	88 Å²	88	55.8 Å²	55.8	47%	0.471	32%	0.317	S	S	.	.			trans	-75.7	69.8	177.8	-168.9	5.4	0	0	0	112.2	R158 K159 V190	R158-N162 WeakPolarHBondContact O-CB 3.33Å; R158-N162 PolarHBondContact O-N 2.91Å; K159-N162 PolarHBondContact O-N 3.12Å; N162-V190 HydrophobicContact CB-CG1 3.77Å
163	V	87.6	Confident	89.1	Confident	56 Å²	56	65.4 Å²	65.4	34%	0.339	36%	0.359	S	S	.	.			trans	-119	135.6	177.4	-62.8	0	0	0	0	110.6	L131 F161 K165 F166 I167	L131-V163 HydrophobicContact CD1-CG2 3.71Å; F161-V163 PolarHBondContact O-N 3.45Å; V163-K165 VanDerWaalsContact C-N 3.28Å; V163-K165 PolarHBondContact O-N 3.29Å; V163-K165 VanDerWaalsContact O-N 3.09Å; V163-F166 HydrophobicContact CG2-CB 3.57Å; V163-F166 WeakPolarHBondContact O-CB 3.48Å; V163-F166 PolarHBondContact O-N 3.34Å; V163-I167 PolarHBondContact O-N 2.96Å; V163-I167 VanDerWaalsContact O-N 3.13Å
164	P	89.8	Confident	89.2	Confident	113 Å²	113	65.1 Å²	65.1	73%	0.734	35%	0.35	S	S	*	.	H	α-helix	trans	-53.8	-38.3	-171.4	-30.5	35.1	0	0	0	115.1	F166 I167 S168	P164-F166 VanDerWaalsContact C-N 3.33Å; P164-F166 PolarHBondContact O-N 3.36Å; P164-I167 PolarHBondContact O-N 3.24Å; P164-S168 WeakPolarHBondContact O-CB 3.26Å; P164-S168 PolarHBondContact O-N 3.46Å
165	K	88.7	Confident	89.2	Confident	168 Å²	168	72.9 Å²	72.9	73%	0.73	39%	0.391	S	S	*	.	H	α-helix	trans	-63.5	-37.6	177.5	-72.5	-176.6	175.6	178.8	0	112.7	V163 Y169	V163-K165 VanDerWaalsContact C-N 3.28Å; V163-K165 PolarHBondContact O-N 3.29Å; V163-K165 VanDerWaalsContact O-N 3.09Å; K165-Y169 PolarHBondContact O-N 3.36Å; K165-Y169 VanDerWaalsContact O-N 3.15Å
166	F	90.8	Very high	89.3	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.018	40%	0.397	C	S	.	.	H	α-helix	trans	-72.2	-44.8	178	179.3	-128.1	0	0	0	111.1	L131 L134 L145 I148 F161 V163 P164 S168 Y169 L170 V186 V190	L131-F166 HydrophobicContact CD1-CB 4.41Å; L131-F166 HydrophobicContact CD2-CB 3.94Å; L131-F166 HydrophobicContact CD2-CD1 3.97Å; L131-F166 HydrophobicContact CD2-CD2 3.21Å; L131-F166 HydrophobicContact CD2-CE1 4.16Å; L131-F166 HydrophobicContact CD2-CE2 3.5Å; L131-F166 VanDerWaalsContact CD2-CE2 3.5Å; L131-F166 HydrophobicContact CD2-CG 3.44Å; L131-F166 VanDerWaalsContact CD2-CG 3.44Å; L131-F166 HydrophobicContact CD2-CZ 3.92Å; L134-F166 HydrophobicContact CD2-CD2 4.1Å; L134-F166 HydrophobicContact CD2-CE2 3.51Å; L145-F166 HydrophobicContact CD2-CE2 4.39Å; I148-F166 HydrophobicContact CD1-CE2 4.34Å; I148-F166 HydrophobicContact CD1-CZ 4.11Å; I148-F166 HydrophobicContact CG2-CZ 4.16Å; F161-F166 HydrophobicContact CB-CD1 4.23Å; F161-F166 HydrophobicContact CB-CE1 3.94Å; F161-F166 HydrophobicContact CD1-CE1 4.4Å; F161-F166 WeakPolarHBondContact O-CD1 3.35Å; V163-F166 HydrophobicContact CG2-CB 3.57Å; V163-F166 WeakPolarHBondContact O-CB 3.48Å; V163-F166 PolarHBondContact O-N 3.34Å; P164-F166 VanDerWaalsContact C-N 3.33Å; P164-F166 PolarHBondContact O-N 3.36Å; F166-S168 VanDerWaalsContact C-N 3.28Å; F166-S168 PolarHBondContact O-N 2.87Å; F166-Y169 WeakPolarHBondContact O-CB 3.16Å; F166-Y169 PolarHBondContact O-N 3.26Å; F166-Y169 VanDerWaalsContact O-N 3.07Å; F166-L170 HydrophobicContact CD1-CD1 3.87Å; F166-L170 HydrophobicContact CD1-CG 4.47Å; F166-L170 HydrophobicContact CD2-CD1 4.39Å; F166-L170 HydrophobicContact CD2-CD2 4.47Å; F166-L170 HydrophobicContact CD2-CG 4.14Å; F166-L170 HydrophobicContact CE1-CD1 3.61Å; F166-L170 HydrophobicContact CE1-CG 4.32Å; F166-L170 HydrophobicContact CE2-CD1 4.09Å; F166-L170 HydrophobicContact CE2-CD2 3.79Å; F166-L170 HydrophobicContact CE2-CG 3.9Å; F166-L170 HydrophobicContact CG-CD1 4.33Å; F166-L170 HydrophobicContact CG-CG 4.47Å; F166-L170 HydrophobicContact CZ-CD1 3.74Å; F166-L170 HydrophobicContact CZ-CD2 3.93Å; F166-L170 HydrophobicContact CZ-CG 4.04Å; F166-L170 WeakPolarHBondContact O-CG 3.21Å; F166-L170 PolarHBondContact O-N 3.09Å; F166-V186 HydrophobicContact CE1-CG1 3.97Å; F166-V186 HydrophobicContact CZ-CG1 3.63Å; F166-V190 HydrophobicContact CE1-CG2 3.98Å
167	I	92	Very high	89.5	Confident	38 Å²	38	73.8 Å²	73.8	20%	0.195	40%	0.397	C	S	.	.	H	α-helix	trans	-56.9	-43.9	175.1	-60.3	-57.7	0	0	0	110.9	V163 P164 Y169 L170 S171 L187 V190	V163-I167 PolarHBondContact O-N 2.96Å; V163-I167 VanDerWaalsContact O-N 3.13Å; P164-I167 PolarHBondContact O-N 3.24Å; I167-Y169 PolarHBondContact O-N 2.93Å; I167-L170 PolarHBondContact O-N 3.22Å; I167-S171 PolarHBondContact O-N 3.13Å; I167-S171 PolarHBondContact O-OG 3.45Å; I167-L187 HydrophobicContact CD1-CD1 3.91Å; I167-L187 HydrophobicContact CG2-CD1 3.95Å; I167-V190 HydrophobicContact CD1-CB 4.38Å; I167-V190 HydrophobicContact CD1-CG1 3.76Å
168	S	92	Very high	89.5	Confident	83 Å²	83	78.8 Å²	78.8	58%	0.58	42%	0.421	S	S	*	.	H	α-helix	trans	-59.6	-43.8	175	-178.8	0	0	0	0	112.5	P164 F166 S171 S172	P164-S168 WeakPolarHBondContact O-CB 3.26Å; P164-S168 PolarHBondContact O-N 3.46Å; F166-S168 VanDerWaalsContact C-N 3.28Å; F166-S168 PolarHBondContact O-N 2.87Å; S168-S171 PolarHBondContact O-N 3.32Å; S168-S172 PolarHBondContact O-N 3.5Å
169	Y	91.7	Very high	89.6	Confident	48 Å²	48	79.1 Å²	79.1	19%	0.188	42%	0.423	C	S	.	.	H	α-helix	trans	-61.6	-44.2	174.4	170.8	-89.3	0	0	0	112.4	L134 S141 K165 F166 I167 S171 S172 K183	L134-Y169 HydrophobicContact CD1-CE1 3.99Å; L134-Y169 HydrophobicContact CD2-CD1 3.88Å; L134-Y169 HydrophobicContact CD2-CE1 3.56Å; L134-Y169 HydrophobicContact CG-CD1 4.35Å; L134-Y169 HydrophobicContact CG-CE1 3.74Å; S141-Y169 PolarHBondContact OG-OH 2.67Å; K165-Y169 PolarHBondContact O-N 3.36Å; K165-Y169 VanDerWaalsContact O-N 3.15Å; F166-Y169 WeakPolarHBondContact O-CB 3.16Å; F166-Y169 PolarHBondContact O-N 3.26Å; F166-Y169 VanDerWaalsContact O-N 3.07Å; I167-Y169 PolarHBondContact O-N 2.93Å; Y169-S171 VanDerWaalsContact C-N 3.31Å; Y169-S171 PolarHBondContact O-N 3.31Å; Y169-S172 WeakPolarHBondContact O-CB 3.37Å; Y169-S172 PolarHBondContact O-N 2.97Å; Y169-S172 VanDerWaalsContact O-N 3.15Å; Y169-S172 PolarHBondContact O-OG 3.04Å; Y169-K183 HydrophobicContact CE1-CG 4.49Å
170	L	91.9	Very high	89.9	Confident	6 Å²	6	74 Å²	74	3%	0.031	40%	0.403	C	S	.	.	H	α-helix	trans	-65.1	-35.4	179.8	-65.4	174.9	0	0	0	112.1	L145 F166 I167 S172 K183 V186 L187	L145-L170 HydrophobicContact CD2-CD2 3.77Å; F166-L170 HydrophobicContact CD1-CD1 3.87Å; F166-L170 HydrophobicContact CD1-CG 4.47Å; F166-L170 HydrophobicContact CD2-CD1 4.39Å; F166-L170 HydrophobicContact CD2-CD2 4.47Å; F166-L170 HydrophobicContact CD2-CG 4.14Å; F166-L170 HydrophobicContact CE1-CD1 3.61Å; F166-L170 HydrophobicContact CE1-CG 4.32Å; F166-L170 HydrophobicContact CE2-CD1 4.09Å; F166-L170 HydrophobicContact CE2-CD2 3.79Å; F166-L170 HydrophobicContact CE2-CG 3.9Å; F166-L170 HydrophobicContact CG-CD1 4.33Å; F166-L170 HydrophobicContact CG-CG 4.47Å; F166-L170 HydrophobicContact CZ-CD1 3.74Å; F166-L170 HydrophobicContact CZ-CD2 3.93Å; F166-L170 HydrophobicContact CZ-CG 4.04Å; F166-L170 WeakPolarHBondContact O-CG 3.21Å; F166-L170 PolarHBondContact O-N 3.09Å; I167-L170 PolarHBondContact O-N 3.22Å; L170-S172 VanDerWaalsContact C-N 3.26Å; L170-S172 PolarHBondContact O-N 3.36Å; L170-K183 HydrophobicContact CD2-CB 4.24Å; L170-K183 HydrophobicContact CD2-CG 4.13Å; L170-K183 WeakPolarHBondContact O-CB 3.39Å; L170-V186 HydrophobicContact CD1-CB 4.35Å; L170-V186 HydrophobicContact CD1-CG1 3.76Å; L170-V186 HydrophobicContact CD2-CB 4.07Å; L170-V186 HydrophobicContact CD2-CG1 3.89Å; L170-V186 HydrophobicContact CG-CG1 4.49Å; L170-L187 HydrophobicContact CB-CB 4.15Å; L170-L187 HydrophobicContact CB-CD1 4.28Å; L170-L187 HydrophobicContact CD1-CB 4.13Å; L170-L187 HydrophobicContact CD1-CD1 4.27Å
171	S	92	Very high	89.9	Confident	77 Å²	77	75.5 Å²	75.5	54%	0.538	41%	0.412	S	S	.	.	H	α-helix	trans	-75	-13.9	176	-61.6	0	0	0	0	113.6	I167 S168 Y169	I167-S171 PolarHBondContact O-N 3.13Å; I167-S171 PolarHBondContact O-OG 3.45Å; S168-S171 PolarHBondContact O-N 3.32Å; Y169-S171 VanDerWaalsContact C-N 3.31Å; Y169-S171 PolarHBondContact O-N 3.31Å
172	S	92	Very high	90	Very high	50 Å²	50	77.5 Å²	77.5	35%	0.35	42%	0.42	S	S	.	.	S	Bend	trans	-72.9	134.9	178.7	74.1	0	0	0	0	111.9	S168 Y169 L170 K183	S168-S172 PolarHBondContact O-N 3.5Å; Y169-S172 WeakPolarHBondContact O-CB 3.37Å; Y169-S172 PolarHBondContact O-N 2.97Å; Y169-S172 VanDerWaalsContact O-N 3.15Å; Y169-S172 PolarHBondContact O-OG 3.04Å; L170-S172 VanDerWaalsContact C-N 3.26Å; L170-S172 PolarHBondContact O-N 3.36Å; S172-K183 PolarHBondContact O-NZ 3.17Å; S172-K183 PolarHBondContact OG-NZ 3.45Å; S172-K183 VanDerWaalsContact OG-NZ 3.15Å
173	K	86.8	Confident	90.3	Very high	202 Å²	202	73.7 Å²	73.7	88%	0.878	40%	0.399	S	S	*	.			trans	-74.8	145.7	174.8	-67.7	-170.9	176.1	-175.6	0	111.3
174	S	87.3	Confident	90.6	Very high	32 Å²	32	77 Å²	77	22%	0.224	41%	0.411	C	S	.	.			trans	-129.9	161.4	168.3	43.9	0	0	0	0	110.4	D176 L179 N180	S174-D176 PolarHBondContact O-N 3.01Å; S174-L179 WeakPolarHBondContact OG-CD2 3.04Å; S174-N180 PolarHBondContact N-OD1 3.12Å; S174-N180 PolarHBondContact O-ND2 3.46Å; S174-N180 PolarHBondContact O-OD1 3.27Å; S174-N180 PolarHBondContact OG-OD1 3.5Å
175	D	87.7	Confident	90.7	Very high	179 Å²	179	75 Å²	75	96%	0.957	39%	0.394	S	S	*	.	S	Bend	trans	-70.3	-18.4	178.9	-55.9	-37.4	0	0	0	112.6
176	D	88.8	Confident	90.9	Very high	68 Å²	68	67 Å²	67	36%	0.364	36%	0.359	S	S	.	.			trans	-84.6	113.7	178.4	-179.3	-11.6	0	0	0	111.3	S174 E178 L179 N180	S174-D176 PolarHBondContact O-N 3.01Å; D176-E178 PolarHBondContact O-N 2.93Å; D176-E178 WeakPolarHBondContact OD1-CB 3.5Å; D176-E178 PolarHBondContact OD1-N 3.43Å; D176-L179 HydrophobicContact CB-CB 3.83Å; D176-L179 PolarHBondContact O-N 3.31Å; D176-L179 PolarHBondContact OD1-N 3.02Å; D176-N180 VanDerWaalsContact O-CG 3.25Å; D176-N180 PolarHBondContact O-N 3.4Å; D176-N180 PolarHBondContact O-ND2 3.31Å
177	S	89	Confident	90.9	Very high	90 Å²	90	68.6 Å²	68.6	63%	0.629	37%	0.367	S	S	*	.	H	α-helix	trans	-63	-36.6	178.4	66.1	0	0	0	0	113.7	N180 L181	S177-N180 PolarHBondContact O-N 2.95Å; S177-L181 WeakPolarHBondContact O-CG 3.23Å; S177-L181 PolarHBondContact O-N 2.9Å; S177-L181 VanDerWaalsContact O-N 3.08Å
178	E	89.4	Confident	90.8	Very high	105 Å²	105	73 Å²	73	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-70	-43.2	179.5	-170.8	-170.6	156	0	0	110.1	D176 N180 L181 R182	D176-E178 PolarHBondContact O-N 2.93Å; D176-E178 WeakPolarHBondContact OD1-CB 3.5Å; D176-E178 PolarHBondContact OD1-N 3.43Å; E178-N180 VanDerWaalsContact C-N 3.3Å; E178-N180 PolarHBondContact O-N 3.2Å; E178-L181 PolarHBondContact O-N 3.26Å; E178-R182 WeakPolarHBondContact O-CB 3.23Å; E178-R182 PolarHBondContact O-N 3Å
179	L	90.7	Very high	90.7	Very high	19 Å²	19	70 Å²	70	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-40.7	175.4	179.9	59.9	0	0	0	111.5	N142 L145 S174 D176 R182 K183	N142-L179 WeakPolarHBondContact OD1-CA 3.47Å; N142-L179 WeakPolarHBondContact OD1-CB 3.14Å; N142-L179 WeakPolarHBondContact OD1-CD1 3.26Å; L145-L179 HydrophobicContact CD1-CD1 3.49Å; L145-L179 VanDerWaalsContact CD1-CD1 3.49Å; S174-L179 WeakPolarHBondContact OG-CD2 3.04Å; D176-L179 HydrophobicContact CB-CB 3.83Å; D176-L179 PolarHBondContact O-N 3.31Å; D176-L179 PolarHBondContact OD1-N 3.02Å; L179-R182 PolarHBondContact O-N 2.86Å; L179-K183 HydrophobicContact CD1-CG 4.46Å; L179-K183 HydrophobicContact CG-CD 4.44Å; L179-K183 WeakPolarHBondContact O-CB 3.43Å; L179-K183 WeakPolarHBondContact O-CG 3.41Å; L179-K183 PolarHBondContact O-N 3.24Å
180	N	91.9	Very high	90.6	Very high	43 Å²	43	67.9 Å²	67.9	23%	0.23	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-45.2	176	-70.8	-31.1	0	0	0	112	S174 D176 S177 E178 R182 K183 Q184	S174-N180 PolarHBondContact N-OD1 3.12Å; S174-N180 PolarHBondContact O-ND2 3.46Å; S174-N180 PolarHBondContact O-OD1 3.27Å; S174-N180 PolarHBondContact OG-OD1 3.5Å; D176-N180 VanDerWaalsContact O-CG 3.25Å; D176-N180 PolarHBondContact O-N 3.4Å; D176-N180 PolarHBondContact O-ND2 3.31Å; S177-N180 PolarHBondContact O-N 2.95Å; E178-N180 VanDerWaalsContact C-N 3.3Å; E178-N180 PolarHBondContact O-N 3.2Å; N180-R182 VanDerWaalsContact C-N 3.32Å; N180-R182 PolarHBondContact O-N 3.46Å; N180-K183 PolarHBondContact O-N 2.59Å; N180-Q184 WeakPolarHBondContact O-CG 3.29Å; N180-Q184 PolarHBondContact O-N 2.89Å
181	L	91.6	Very high	90.3	Very high	116 Å²	116	72.3 Å²	72.3	61%	0.607	38%	0.375	S	S	*	.	H	α-helix	trans	-59.7	-44.3	175.9	-73.3	172.2	0	0	0	111.3	S177 E178 K183 Q184 L185	S177-L181 WeakPolarHBondContact O-CG 3.23Å; S177-L181 PolarHBondContact O-N 2.9Å; S177-L181 VanDerWaalsContact O-N 3.08Å; E178-L181 PolarHBondContact O-N 3.26Å; L181-K183 PolarHBondContact O-N 2.76Å; L181-Q184 PolarHBondContact O-N 3.36Å; L181-L185 PolarHBondContact O-N 3.39Å
182	R	92	Very high	89.8	Confident	43 Å²	43	69.1 Å²	69.1	16%	0.162	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-39.7	179.2	-166.4	175.4	-77.3	-79.3	10.3	112.2	N142 L145 Q146 E178 L179 N180 L185 V186	N142-R182 VanDerWaalsContact O-CD 3.29Å; N142-R182 WeakPolarHBondContact O-CD 3.32Å; L145-R182 HydrophobicContact CB-CG 3.71Å; L145-R182 HydrophobicContact CD1-CG 4.28Å; Q146-R182 VanDerWaalsContact CA-NH1 3.28Å; Q146-R182 VanDerWaalsContact CB-NH1 3.31Å; Q146-R182 VanDerWaalsContact CD-NH1 3.32Å; E178-R182 WeakPolarHBondContact O-CB 3.23Å; E178-R182 PolarHBondContact O-N 3Å; L179-R182 PolarHBondContact O-N 2.86Å; N180-R182 VanDerWaalsContact C-N 3.32Å; N180-R182 PolarHBondContact O-N 3.46Å; R182-L185 PolarHBondContact O-N 3.02Å; R182-V186 VanDerWaalsContact O-CG2 3.31Å; R182-V186 WeakPolarHBondContact O-CG2 3.19Å; R182-V186 PolarHBondContact O-N 3.01Å
183	K	93.6	Very high	88.8	Confident	7 Å²	7	69.2 Å²	69.2	3%	0.03	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-44.5	172.5	-78.4	175	168.9	-179.3	0	112	L145 Y169 L170 S172 L179 N180 L181 V186 L187	L145-K183 HydrophobicContact CD1-CG 3.91Å; Y169-K183 HydrophobicContact CE1-CG 4.49Å; L170-K183 HydrophobicContact CD2-CB 4.24Å; L170-K183 HydrophobicContact CD2-CG 4.13Å; L170-K183 WeakPolarHBondContact O-CB 3.39Å; S172-K183 PolarHBondContact O-NZ 3.17Å; S172-K183 PolarHBondContact OG-NZ 3.45Å; S172-K183 VanDerWaalsContact OG-NZ 3.15Å; L179-K183 HydrophobicContact CD1-CG 4.46Å; L179-K183 HydrophobicContact CG-CD 4.44Å; L179-K183 WeakPolarHBondContact O-CB 3.43Å; L179-K183 WeakPolarHBondContact O-CG 3.41Å; L179-K183 PolarHBondContact O-N 3.24Å; N180-K183 PolarHBondContact O-N 2.59Å; L181-K183 PolarHBondContact O-N 2.76Å; K183-V186 PolarHBondContact O-N 3.38Å; K183-L187 VanDerWaalsContact O-CB 3.28Å; K183-L187 WeakPolarHBondContact O-CB 3.2Å; K183-L187 PolarHBondContact O-N 3.44Å
184	Q	92.2	Very high	87.9	Confident	125 Å²	125	62.9 Å²	62.9	58%	0.584	33%	0.332	S	S	*	.	H	α-helix	trans	-62.4	-43.6	177.4	-73.5	176.4	-7.1	0	0	111.9	N180 L181 L187 W188	N180-Q184 WeakPolarHBondContact O-CG 3.29Å; N180-Q184 PolarHBondContact O-N 2.89Å; L181-Q184 PolarHBondContact O-N 3.36Å; Q184-L187 PolarHBondContact O-N 3.49Å; Q184-W188 WeakPolarHBondContact O-CB 3.09Å; Q184-W188 PolarHBondContact O-N 3.3Å
185	L	92.1	Very high	86.7	Confident	73 Å²	73	66.5 Å²	66.5	38%	0.382	35%	0.346	S	S	.	.	H	α-helix	trans	-59.2	-49.3	175.6	176.4	62.4	0	0	0	111.4	T149 L181 R182 L187 W188 L189	T149-L185 HydrophobicContact CG2-CD2 3.82Å; T149-L185 HydrophobicContact CG2-CG 4.37Å; L181-L185 PolarHBondContact O-N 3.39Å; R182-L185 PolarHBondContact O-N 3.02Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.47Å; L185-W188 HydrophobicContact CD1-CE3 4.36Å; L185-W188 PolarHBondContact O-N 2.97Å; L185-L189 HydrophobicContact CD1-CD1 4.2Å; L185-L189 HydrophobicContact CD1-CG 4.31Å; L185-L189 HydrophobicContact CG-CD1 4.09Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 2.85Å
186	V	92.8	Very high	85.6	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-41.1	178.9	174.6	0	0	0	0	110.8	L145 I148 T149 L152 F166 L170 R182 K183 W188 L189 V190	L145-V186 HydrophobicContact CB-CG2 4.41Å; L145-V186 HydrophobicContact CD2-CB 4.45Å; L145-V186 HydrophobicContact CD2-CG1 4.36Å; L145-V186 HydrophobicContact CD2-CG2 4.12Å; I148-V186 HydrophobicContact CG2-CG1 4Å; T149-V186 VanDerWaalsContact OG1-CG2 3.24Å; T149-V186 WeakPolarHBondContact OG1-CG2 3.29Å; L152-V186 HydrophobicContact CD1-CG1 3.88Å; F166-V186 HydrophobicContact CE1-CG1 3.97Å; F166-V186 HydrophobicContact CZ-CG1 3.63Å; L170-V186 HydrophobicContact CD1-CB 4.35Å; L170-V186 HydrophobicContact CD1-CG1 3.76Å; L170-V186 HydrophobicContact CD2-CB 4.07Å; L170-V186 HydrophobicContact CD2-CG1 3.89Å; L170-V186 HydrophobicContact CG-CG1 4.49Å; R182-V186 VanDerWaalsContact O-CG2 3.31Å; R182-V186 WeakPolarHBondContact O-CG2 3.19Å; R182-V186 PolarHBondContact O-N 3.01Å; K183-V186 PolarHBondContact O-N 3.38Å; V186-W188 VanDerWaalsContact C-N 3.34Å; V186-W188 PolarHBondContact O-N 3.21Å; V186-L189 PolarHBondContact O-N 3.5Å; V186-V190 HydrophobicContact CG1-CG2 4.27Å; V186-V190 VanDerWaalsContact O-CG2 3.25Å; V186-V190 WeakPolarHBondContact O-CG2 3.27Å; V186-V190 PolarHBondContact O-N 3.12Å
187	L	92.3	Very high	84.5	Confident	36 Å²	36	61.4 Å²	61.4	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-43.7	176.5	-177.8	61.3	0	0	0	111.6	I167 L170 K183 Q184 L185 N191	I167-L187 HydrophobicContact CD1-CD1 3.91Å; I167-L187 HydrophobicContact CG2-CD1 3.95Å; L170-L187 HydrophobicContact CB-CB 4.15Å; L170-L187 HydrophobicContact CB-CD1 4.28Å; L170-L187 HydrophobicContact CD1-CB 4.13Å; L170-L187 HydrophobicContact CD1-CD1 4.27Å; K183-L187 VanDerWaalsContact O-CB 3.28Å; K183-L187 WeakPolarHBondContact O-CB 3.2Å; K183-L187 PolarHBondContact O-N 3.44Å; Q184-L187 PolarHBondContact O-N 3.49Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.47Å; L187-N191 PolarHBondContact O-N 2.9Å; L187-N191 PolarHBondContact O-ND2 2.85Å
188	W	89.8	Confident	83.4	Confident	131 Å²	131	61.7 Å²	61.7	50%	0.496	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-48.1	174.9	-179.9	75.5	0	0	0	111.3	Q184 L185 V186 V190 N191 L192 L197	Q184-W188 WeakPolarHBondContact O-CB 3.09Å; Q184-W188 PolarHBondContact O-N 3.3Å; L185-W188 HydrophobicContact CD1-CE3 4.36Å; L185-W188 PolarHBondContact O-N 2.97Å; V186-W188 VanDerWaalsContact C-N 3.34Å; V186-W188 PolarHBondContact O-N 3.21Å; W188-V190 PolarHBondContact O-N 3.41Å; W188-N191 PolarHBondContact O-N 3.39Å; W188-L192 HydrophobicContact CE3-CD1 4.47Å; W188-L192 HydrophobicContact CH2-CD1 4.34Å; W188-L192 HydrophobicContact CH2-CD2 4.4Å; W188-L192 HydrophobicContact CZ2-CD2 3.98Å; W188-L192 HydrophobicContact CZ3-CD1 4.22Å; W188-L192 PolarHBondContact O-N 2.95Å; W188-L197 HydrophobicContact CH2-CD1 3.86Å; W188-L197 HydrophobicContact CZ3-CD1 4.15Å
189	L	90	Very high	82.2	Confident	19 Å²	19	60.8 Å²	60.8	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-38.1	-179.5	-73	172.6	0	0	0	113.8	T149 L152 R158 L185 V186 N191 L192	T149-L189 HydrophobicContact CG2-CD1 3.7Å; L152-L189 HydrophobicContact CB-CB 4.13Å; L152-L189 HydrophobicContact CB-CD1 4.35Å; L152-L189 HydrophobicContact CD1-CB 3.77Å; L152-L189 HydrophobicContact CD1-CD1 4.39Å; R158-L189 WeakPolarHBondContact CD-O 3.35Å; L185-L189 HydrophobicContact CD1-CD1 4.2Å; L185-L189 HydrophobicContact CD1-CG 4.31Å; L185-L189 HydrophobicContact CG-CD1 4.09Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 2.85Å; V186-L189 PolarHBondContact O-N 3.5Å; L189-N191 VanDerWaalsContact C-N 3.29Å; L189-N191 PolarHBondContact O-N 3.48Å; L189-L192 HydrophobicContact CD2-CD1 3.86Å; L189-L192 PolarHBondContact O-N 3.3Å
190	V	89.3	Confident	81.1	Confident	4 Å²	4	61 Å²	61	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-67.1	-33.4	177.9	174	0	0	0	0	111.4	L152 F161 N162 F166 I167 V186 W188 L192	L152-V190 HydrophobicContact CD1-CG2 3.67Å; L152-V190 HydrophobicContact CD2-CG2 3.89Å; L152-V190 HydrophobicContact CG-CG2 4.47Å; F161-V190 HydrophobicContact CB-CG2 4.16Å; N162-V190 HydrophobicContact CB-CG1 3.77Å; F166-V190 HydrophobicContact CE1-CG2 3.98Å; I167-V190 HydrophobicContact CD1-CB 4.38Å; I167-V190 HydrophobicContact CD1-CG1 3.76Å; V186-V190 HydrophobicContact CG1-CG2 4.27Å; V186-V190 VanDerWaalsContact O-CG2 3.25Å; V186-V190 WeakPolarHBondContact O-CG2 3.27Å; V186-V190 PolarHBondContact O-N 3.12Å; W188-V190 PolarHBondContact O-N 3.41Å; V190-L192 VanDerWaalsContact C-N 3.32Å
191	N	84.5	Confident	79.9	Confident	99 Å²	99	62 Å²	62	53%	0.529	32%	0.32	S	S	.	.	H	α-helix	trans	-83.1	-6.1	-179.1	-71	-34.7	0	0	0	113.9	L187 W188 L189	L187-N191 PolarHBondContact O-N 2.9Å; L187-N191 PolarHBondContact O-ND2 2.85Å; W188-N191 PolarHBondContact O-N 3.39Å; L189-N191 VanDerWaalsContact C-N 3.29Å; L189-N191 PolarHBondContact O-N 3.48Å
192	L	81.5	Confident	78.6	Confident	11 Å²	11	58.8 Å²	58.8	6%	0.058	31%	0.309	C	S	.	.	S	Bend	trans	-64.4	141.6	174.6	-69.6	175.1	0	0	0	110.8	W188 L189 V190 L197	W188-L192 HydrophobicContact CE3-CD1 4.47Å; W188-L192 HydrophobicContact CH2-CD1 4.34Å; W188-L192 HydrophobicContact CH2-CD2 4.4Å; W188-L192 HydrophobicContact CZ2-CD2 3.98Å; W188-L192 HydrophobicContact CZ3-CD1 4.22Å; W188-L192 PolarHBondContact O-N 2.95Å; L189-L192 HydrophobicContact CD2-CD1 3.86Å; L189-L192 PolarHBondContact O-N 3.3Å; V190-L192 VanDerWaalsContact C-N 3.32Å; L192-L197 HydrophobicContact CD1-CD1 3.5Å
193	P	71.4	Confident	77.5	Confident	52 Å²	52	60.3 Å²	60.3	34%	0.338	33%	0.327	S	S	.	.			trans	-54.9	155.9	173.5	-25.7	36.5	0	0	0	111.2	R158 Q195 H200	R158-P193 PolarHBondContact NH1-O 3Å; P193-Q195 PolarHBondContact O-N 3.35Å; P193-H200 VanDerWaalsContact CD-CE1 3.48Å; P193-H200 WeakPolarHBondContact CD-CE1 3.38Å; P193-H200 VanDerWaalsContact CG-CE1 3.49Å; P193-H200 WeakPolarHBondContact CG-CE1 3.38Å; P193-H200 WeakPolarHBondContact CG-ND1 3.46Å
194	S	67.4	Low	76	Confident	69 Å²	69	65.7 Å²	65.7	48%	0.483	35%	0.352	S	S	.	.	S	Bend	trans	-67.6	6.8	-179.3	54.5	0	0	0	0	115	P155	P155-S194 VanDerWaalsContact CB-O 3.25Å; P155-S194 WeakPolarHBondContact CB-O 2.97Å
195	Q	63.4	Low	74.5	Confident	108 Å²	108	67.7 Å²	67.7	51%	0.505	36%	0.356	S	S	.	.	S	Bend	trans	-84.1	162.6	173.9	-66.6	173.1	-11.1	0	0	110.7	R158 P193 D199	R158-Q195 PolarHBondContact NH1-O 2.91Å; P193-Q195 PolarHBondContact O-N 3.35Å; Q195-D199 HydrophobicContact CB-CB 4.35Å
196	N	64.3	Low	72.4	Confident	84 Å²	84	66 Å²	66	45%	0.449	36%	0.355	S	S	.	.			trans	-58.5	148.5	174.9	-172.2	1.1	0	0	0	109.8	V198 D199 H200	N196-V198 PolarHBondContact O-N 3.22Å; N196-D199 HydrophobicContact CB-CB 4.48Å; N196-D199 WeakPolarHBondContact CB-OD2 3.49Å; N196-D199 PolarHBondContact O-N 2.91Å; N196-D199 VanDerWaalsContact O-N 3.11Å; N196-H200 PolarHBondContact O-N 3.33Å
197	L	65	Low	70	Confident	56 Å²	56	73.7 Å²	73.7	29%	0.293	40%	0.396	S	S	.	.	H	α-helix	trans	-57.3	-38.6	-179.5	-165.1	116.9	0	0	0	111.5	W188 L192 H200 L201	W188-L197 HydrophobicContact CH2-CD1 3.86Å; W188-L197 HydrophobicContact CZ3-CD1 4.15Å; L192-L197 HydrophobicContact CD1-CD1 3.5Å; L197-H200 PolarHBondContact O-N 2.88Å; L197-L201 HydrophobicContact CD2-CD1 3.67Å; L197-L201 HydrophobicContact CD2-CG 4.44Å; L197-L201 HydrophobicContact CG-CD1 4.29Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 WeakPolarHBondContact O-CG 2.82Å; L197-L201 PolarHBondContact O-N 3.01Å
198	V	65.3	Low	67.8	Low	95 Å²	95	77.3 Å²	77.3	58%	0.576	41%	0.412	S	S	*	.	H	α-helix	trans	-62.8	-45.6	176.7	-179.8	0	0	0	0	110.8	N196 H200 L201 A202	N196-V198 PolarHBondContact O-N 3.22Å; V198-H200 VanDerWaalsContact C-N 3.31Å; V198-H200 PolarHBondContact O-N 2.8Å; V198-L201 PolarHBondContact O-N 3.34Å; V198-A202 WeakPolarHBondContact O-CB 3.47Å; V198-A202 PolarHBondContact O-N 3.33Å
199	D	66	Low	65.5	Low	87 Å²	87	78.6 Å²	78.6	47%	0.465	43%	0.428	S	S	.	.	H	α-helix	trans	-65.8	-36.3	178	-55	-24.7	0	0	0	111.4	Q195 N196 S203	Q195-D199 HydrophobicContact CB-CB 4.35Å; N196-D199 HydrophobicContact CB-CB 4.48Å; N196-D199 WeakPolarHBondContact CB-OD2 3.49Å; N196-D199 PolarHBondContact O-N 2.91Å; N196-D199 VanDerWaalsContact O-N 3.11Å; D199-S203 VanDerWaalsContact O-CB 3.29Å; D199-S203 WeakPolarHBondContact O-CB 3.45Å; D199-S203 PolarHBondContact O-N 3.16Å; D199-S203 PolarHBondContact O-OG 3.33Å
200	H	66.8	Low	63.3	Low	22 Å²	22	84.4 Å²	84.4	10%	0.102	46%	0.455	C	S	.	.	H	α-helix	trans	-67.7	-45.3	176	-176	51	0	0	0	112	P193 N196 L197 V198 S203 Q204	P193-H200 VanDerWaalsContact CD-CE1 3.48Å; P193-H200 WeakPolarHBondContact CD-CE1 3.38Å; P193-H200 VanDerWaalsContact CG-CE1 3.49Å; P193-H200 WeakPolarHBondContact CG-CE1 3.38Å; P193-H200 WeakPolarHBondContact CG-ND1 3.46Å; N196-H200 PolarHBondContact O-N 3.33Å; L197-H200 PolarHBondContact O-N 2.88Å; V198-H200 VanDerWaalsContact C-N 3.31Å; V198-H200 PolarHBondContact O-N 2.8Å; H200-S203 WeakPolarHBondContact CA-OG 3.47Å; H200-S203 PolarHBondContact O-N 3.06Å; H200-S203 PolarHBondContact O-OG 2.92Å; H200-Q204 PolarHBondContact CE1-NE2 3.43Å; H200-Q204 VanDerWaalsContact CE1-NE2 3.32Å; H200-Q204 PolarHBondContact NE2-NE2 2.63Å; H200-Q204 WeakPolarHBondContact O-CB 2.88Å; H200-Q204 PolarHBondContact O-N 3.21Å
201	L	67.5	Low	60.8	Low	66 Å²	66	91.1 Å²	91.1	35%	0.346	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-43.2	176.5	-69.2	175	0	0	0	110.7	L197 V198 S203 Q204 Y205	L197-L201 HydrophobicContact CD2-CD1 3.67Å; L197-L201 HydrophobicContact CD2-CG 4.44Å; L197-L201 HydrophobicContact CG-CD1 4.29Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 WeakPolarHBondContact O-CG 2.82Å; L197-L201 PolarHBondContact O-N 3.01Å; V198-L201 PolarHBondContact O-N 3.34Å; L201-S203 VanDerWaalsContact C-N 3.29Å; L201-S203 PolarHBondContact O-N 3.03Å; L201-Q204 PolarHBondContact O-N 3.23Å; L201-Y205 HydrophobicContact CB-CD2 4.43Å; L201-Y205 HydrophobicContact CD2-CD2 4.16Å; L201-Y205 HydrophobicContact CD2-CE2 3.82Å; L201-Y205 WeakPolarHBondContact O-CB 3.39Å; L201-Y205 VanDerWaalsContact O-CD2 3.29Å; L201-Y205 WeakPolarHBondContact O-CD2 3.41Å; L201-Y205 PolarHBondContact O-N 3.42Å
202	A	64.3	Low	58.7	Low	47 Å²	47	96 Å²	96	39%	0.388	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-36.5	175.7	0	0	0	0	0	112.4	V198 G206	V198-A202 WeakPolarHBondContact O-CB 3.47Å; V198-A202 PolarHBondContact O-N 3.33Å; A202-G206 CarbonylContact O-C 3.59Å; A202-G206 VanDerWaalsContact O-CA 3.23Å; A202-G206 WeakPolarHBondContact O-CA 3.29Å; A202-G206 PolarHBondContact O-N 2.92Å
203	S	67.7	Low	56.7	Low	75 Å²	75	100 Å²	100	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-75.3	-33.3	175.8	56.2	0	0	0	0	113.5	D199 H200 L201	D199-S203 VanDerWaalsContact O-CB 3.29Å; D199-S203 WeakPolarHBondContact O-CB 3.45Å; D199-S203 PolarHBondContact O-N 3.16Å; D199-S203 PolarHBondContact O-OG 3.33Å; H200-S203 WeakPolarHBondContact CA-OG 3.47Å; H200-S203 PolarHBondContact O-N 3.06Å; H200-S203 PolarHBondContact O-OG 2.92Å; L201-S203 VanDerWaalsContact C-N 3.29Å; L201-S203 PolarHBondContact O-N 3.03Å
204	Q	63.7	Low	55.3	Low	120 Å²	120	104.4 Å²	104.4	56%	0.561	55%	0.55	S	S	*	.	H	α-helix	trans	-77.3	-35.5	176.3	-77.9	-159.9	-21.9	0	0	113.7	H200 L201	H200-Q204 PolarHBondContact CE1-NE2 3.43Å; H200-Q204 VanDerWaalsContact CE1-NE2 3.32Å; H200-Q204 PolarHBondContact NE2-NE2 2.63Å; H200-Q204 WeakPolarHBondContact O-CB 2.88Å; H200-Q204 PolarHBondContact O-N 3.21Å; L201-Q204 PolarHBondContact O-N 3.23Å
205	Y	60.6	Low	54	Low	168 Å²	168	105.8 Å²	105.8	66%	0.659	56%	0.56	S	S	*	*	H	α-helix	trans	-99.4	-4.4	-176.2	-68.6	-78	0	0	0	113.3	L201	L201-Y205 HydrophobicContact CB-CD2 4.43Å; L201-Y205 HydrophobicContact CD2-CD2 4.16Å; L201-Y205 HydrophobicContact CD2-CE2 3.82Å; L201-Y205 WeakPolarHBondContact O-CB 3.39Å; L201-Y205 VanDerWaalsContact O-CD2 3.29Å; L201-Y205 WeakPolarHBondContact O-CD2 3.41Å; L201-Y205 PolarHBondContact O-N 3.42Å
206	G	46.2	Very low	52.9	Low	37 Å²	37	106 Å²	106	38%	0.381	57%	0.572	S	S	.	*			trans	65.7	143.8	-173.6	0	0	0	0	0	110.6	A202 H208	A202-G206 CarbonylContact O-C 3.59Å; A202-G206 VanDerWaalsContact O-CA 3.23Å; A202-G206 WeakPolarHBondContact O-CA 3.29Å; A202-G206 PolarHBondContact O-N 2.92Å; G206-H208 PolarHBondContact O-N 2.77Å
207	L	43.7	Very low	51.6	Low	161 Å²	161	109.6 Å²	109.6	84%	0.843	59%	0.587	S	S	*	*			trans	-49.7	117.9	153.8	-82.4	141.2	0	0	0	106.7	D209	L207-D209 PolarHBondContact O-N 3.4Å
208	H	44.9	Very low	50.5	Low	113 Å²	113	114.8 Å²	114.8	52%	0.523	62%	0.615	S	S	.	*			trans	-60.2	82.9	166.3	-82	-79.4	0	0	0	108	G206 W212	G206-H208 PolarHBondContact O-N 2.77Å; H208-W212 AromaticContact CG-NE1 3.99Å; H208-W212 AromaticContact ND1-NE1 3.81Å
209	D	42.7	Very low	49	Very low	158 Å²	158	123.9 Å²	123.9	85%	0.845	65%	0.647	S	S	*	*			trans	-78.6	15.8	144.5	-96	-11.9	0	0	0	110.3	L207 N211	L207-D209 PolarHBondContact O-N 3.4Å; D209-N211 VanDerWaalsContact C-N 3.32Å; D209-N211 PolarHBondContact O-N 3.43Å
210	Q	42.7	Very low	48.2	Very low	141 Å²	141	125.7 Å²	125.7	66%	0.659	66%	0.656	S	S	*	*	S	Bend	trans	-77.3	97.3	151	-71.7	-175.4	-5.8	0	0	106.6	W212	Q210-W212 VanDerWaalsContact C-N 3.33Å; Q210-W212 PolarHBondContact O-N 3.01Å
211	N	36.7	Very low	47.2	Very low	144 Å²	144	131.2 Å²	131.2	77%	0.77	69%	0.685	S	S	*	*			trans	-29.1	104.2	149.5	-74.2	-38.6	0	0	0	108.2	D209 S213	D209-N211 VanDerWaalsContact C-N 3.32Å; D209-N211 PolarHBondContact O-N 3.43Å; N211-S213 PolarHBondContact O-N 3.26Å
212	W	40.7	Very low	46.1	Very low	201 Å²	201	134.8 Å²	134.8	76%	0.761	70%	0.704	S	S	*	*			trans	-70.6	72.3	155.7	-74.1	69.6	0	0	0	104.5	H208 Q210 I214	H208-W212 AromaticContact CG-NE1 3.99Å; H208-W212 AromaticContact ND1-NE1 3.81Å; Q210-W212 VanDerWaalsContact C-N 3.33Å; Q210-W212 PolarHBondContact O-N 3.01Å; W212-I214 PolarHBondContact O-N 3.43Å
213	S	39.5	Very low	45	Very low	95 Å²	95	139.9 Å²	139.9	66%	0.664	72%	0.722	S	S	*	*			trans	-61.2	91.5	152.2	51.4	0	0	0	0	103.6	N211 S215	N211-S213 PolarHBondContact O-N 3.26Å; S213-S215 PolarHBondContact O-N 3.3Å
214	I	42.7	Very low	43.6	Very low	145 Å²	145	144 Å²	144	74%	0.744	74%	0.735	S	S	*	*			trans	-52.5	98.3	153	-62.5	171.5	0	0	0	102.9	W212 S216	W212-I214 PolarHBondContact O-N 3.43Å; I214-S216 PolarHBondContact O-N 2.98Å
215	S	39.5	Very low	42.2	Very low	99 Å²	99	145.6 Å²	145.6	69%	0.692	75%	0.746	S	S	*	*			trans	-62.7	92.6	166.5	39.6	0	0	0	0	105.5	S213 E217	S213-S215 PolarHBondContact O-N 3.3Å; S215-E217 PolarHBondContact O-N 3.38Å
216	S	40.9	Very low	40.9	Very low	111 Å²	111	144 Å²	144	78%	0.776	75%	0.752	S	S	*	*			trans	-70.4	61.7	159.6	57.9	0	0	0	0	108.5	I214	I214-S216 PolarHBondContact O-N 2.98Å
217	E	37	Very low	40.5	Very low	160 Å²	160	152.2 Å²	152.2	75%	0.748	78%	0.781	S	S	*	*			trans	-148.7	84.5	170.9	-74.7	-168.5	166.7	0	0	107.2	S215	S215-E217 PolarHBondContact O-N 3.38Å
218	N	40.9	Very low	40.3	Very low	165 Å²	165	151.5 Å²	151.5	88%	0.882	78%	0.776	S	S	*	*			trans	173.9	68	143.5	-85.9	-31.3	0	0	0	110.8
219	K	35	Very low	39.8	Very low	286 Å²	286	155 Å²	155	100%	1.243	80%	0.799	S	S	*	*				175.1	0	128.6	-97.3	-178.5	-177.3	-177.6	0	110.6

Retrieved 219 of 219 residues in 76 ms (Link to these results)

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