A0AA82MK53_SCHMA Loading...

SAM domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MK53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 aa.

						>A0AA82MK53_SCHMA|A0AA82MK53
MTAKKNRHVLNWTPEDVVKWLHKYASPVGAKYSELFETNRISGMCLRLMTDEWLLRLGVVNQNDRSALMSHIYRMRLKYDSSDLSDMLKNN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	60.8	Low	243 Å²	243	121.4 Å²	121.4	100%	1.197	61%	0.614	S	S	*	*				0	107.9	0	-61	178	-161	0	0	107.4	A3	M1-A3 PolarHBondContact O-N 3.31Å
2	T	32.9	Very low	63.6	Low	144 Å²	144	113.3 Å²	113.3	88%	0.883	57%	0.57	S	S	*	*			trans	-66.5	102.4	175.8	43.7	0	0	0	0	107.4	K4	T2-K4 PolarHBondContact O-N 2.84Å
3	A	37.7	Very low	66.1	Low	87 Å²	87	108.8 Å²	108.8	72%	0.719	55%	0.552	S	S	*	*			trans	-48.8	117.7	169.4	0	0	0	0	0	106.2	M1 K5	M1-A3 PolarHBondContact O-N 3.31Å; A3-K5 PolarHBondContact O-N 2.86Å
4	K	47.6	Very low	68.3	Low	188 Å²	188	102.6 Å²	102.6	82%	0.817	52%	0.523	S	S	*	.			trans	-66	79	170.1	-160.8	178.6	-168.2	174.6	0	104.2	T2 N6	T2-K4 PolarHBondContact O-N 2.84Å; K4-N6 PolarHBondContact O-N 3.37Å
5	K	48.7	Very low	70.2	Confident	182 Å²	182	100.7 Å²	100.7	79%	0.791	51%	0.511	S	S	*	.			trans	-56.5	98.1	166.1	-99.6	-177.7	172.6	178.4	0	101.9	A3 R7	A3-K5 PolarHBondContact O-N 2.86Å; K5-R7 PolarHBondContact O-N 3.18Å
6	N	54.3	Low	71.9	Confident	94 Å²	94	96.3 Å²	96.3	50%	0.503	49%	0.489	S	S	.	.			trans	-54.9	95.5	158.5	-86	-19.5	0	0	0	101.9	K4 H8	K4-N6 PolarHBondContact O-N 3.37Å; N6-H8 VanDerWaalsContact C-N 3.3Å; N6-H8 PolarHBondContact O-N 2.81Å
7	R	63.8	Low	73.4	Confident	147 Å²	147	90.6 Å²	90.6	56%	0.555	46%	0.46	S	S	*	.			trans	-57.8	110.5	177.4	-69.7	-176	-165.2	178	0.6	102.3	K5 V9 W12 D16	K5-R7 PolarHBondContact O-N 3.18Å; R7-V9 PolarHBondContact O-N 3.39Å; R7-W12 PolarHBondContact O-NE1 3.19Å; R7-D16 IonicContact NH1-OD2 3.46Å
8	H	83.6	Confident	74.7	Confident	60 Å²	60	86.5 Å²	86.5	28%	0.278	44%	0.441	S	S	.	.			trans	-44.7	140.6	175.5	-60.1	-71.9	0	0	0	107.2	N6 L10 N11 D83 D86	N6-H8 VanDerWaalsContact C-N 3.3Å; N6-H8 PolarHBondContact O-N 2.81Å; H8-L10 PolarHBondContact O-N 3.39Å; H8-N11 WeakPolarHBondContact O-CA 3.42Å; H8-N11 WeakPolarHBondContact O-CB 3.39Å; H8-N11 PolarHBondContact O-N 3.3Å; H8-D83 IonicContact CE1-OD1 3.08Å; H8-D83 IonicContact CG-OD1 2.83Å; H8-D83 IonicContact ND1-OD1 3.43Å; H8-D83 PolarHBondContact ND1-OD1 2.84Å; H8-D86 IonicContact CE1-OD2 2.97Å; H8-D86 PolarHBondContact CE1-OD2 3.34Å
9	V	89.3	Confident	75.9	Confident	0 Å²	0	89.1 Å²	89.1	0%	0	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-52.3	-33.3	-175.5	172.8	0	0	0	0	110.8	R7 N11 W12 G43 R47 M75 Y79	R7-V9 PolarHBondContact O-N 3.39Å; V9-N11 PolarHBondContact O-N 3Å; V9-N11 VanDerWaalsContact O-N 3.07Å; V9-W12 HydrophobicContact CB-CD2 4.45Å; V9-W12 HydrophobicContact CG1-CD2 4.33Å; V9-W12 HydrophobicContact CG1-CE3 4.16Å; V9-W12 HydrophobicContact CG1-CZ3 4.38Å; V9-W12 HydrophobicContact CG2-CD2 4.37Å; V9-W12 HydrophobicContact CG2-CH2 3.86Å; V9-W12 HydrophobicContact CG2-CZ2 3.71Å; V9-W12 HydrophobicContact CG2-CZ3 4.27Å; V9-W12 WeakPolarHBondContact O-CB 3.47Å; V9-W12 PolarHBondContact O-N 3.06Å; V9-G43 WeakPolarHBondContact CG1-O 3.47Å; V9-G43 CarbonylContact O-C 3.56Å; V9-G43 VanDerWaalsContact O-CA 3.23Å; V9-G43 WeakPolarHBondContact O-CA 3.29Å; V9-R47 HydrophobicContact CG1-CB 4.38Å; V9-M75 HydrophobicContact CB-SD 4.25Å; V9-M75 HydrophobicContact CG1-SD 3.67Å; V9-M75 HydrophobicContact CG2-CG 4.4Å; V9-M75 HydrophobicContact CG2-SD 3.69Å; V9-Y79 HydrophobicContact CG2-CD1 3.91Å; V9-Y79 HydrophobicContact CG2-CD2 3.32Å; V9-Y79 HydrophobicContact CG2-CE1 4.46Å; V9-Y79 HydrophobicContact CG2-CE2 3.96Å; V9-Y79 HydrophobicContact CG2-CG 3.3Å
10	L	87.2	Confident	77	Confident	85 Å²	85	85.4 Å²	85.4	45%	0.445	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-53.6	-27.5	174.7	-63.3	175.2	0	0	0	114.3	H8	H8-L10 PolarHBondContact O-N 3.39Å
11	N	90.2	Very high	78	Confident	105 Å²	105	81.4 Å²	81.4	56%	0.561	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-100.4	7.3	-178.9	-61.1	-34.3	0	0	0	113.2	H8 V9 T13	H8-N11 WeakPolarHBondContact O-CA 3.42Å; H8-N11 WeakPolarHBondContact O-CB 3.39Å; H8-N11 PolarHBondContact O-N 3.3Å; V9-N11 PolarHBondContact O-N 3Å; V9-N11 VanDerWaalsContact O-N 3.07Å; N11-T13 PolarHBondContact O-N 2.92Å
12	W	94.5	Very high	81	Confident	25 Å²	25	74.1 Å²	74.1	10%	0.095	37%	0.372	C	S	.	.			trans	-72.9	129.3	177.8	-69.6	3.8	0	0	0	110.9	R7 V9 D16 V17 W20 G43 L46 M75 Y79	R7-W12 PolarHBondContact O-NE1 3.19Å; V9-W12 HydrophobicContact CB-CD2 4.45Å; V9-W12 HydrophobicContact CG1-CD2 4.33Å; V9-W12 HydrophobicContact CG1-CE3 4.16Å; V9-W12 HydrophobicContact CG1-CZ3 4.38Å; V9-W12 HydrophobicContact CG2-CD2 4.37Å; V9-W12 HydrophobicContact CG2-CH2 3.86Å; V9-W12 HydrophobicContact CG2-CZ2 3.71Å; V9-W12 HydrophobicContact CG2-CZ3 4.27Å; V9-W12 WeakPolarHBondContact O-CB 3.47Å; V9-W12 PolarHBondContact O-N 3.06Å; W12-D16 HydrophobicContact CB-CB 3.77Å; W12-D16 HydrophobicContact CD2-CB 4.49Å; W12-D16 HydrophobicContact CG-CB 3.96Å; W12-V17 HydrophobicContact CB-CG2 4.23Å; W12-V17 HydrophobicContact CE3-CG2 4.18Å; W12-W20 HydrophobicContact CE3-CB 4.24Å; W12-W20 HydrophobicContact CE3-CG 4.49Å; W12-W20 HydrophobicContact CH2-CB 3.96Å; W12-W20 AromaticContact CH2-CD1 3.31Å; W12-W20 HydrophobicContact CH2-CD2 4.47Å; W12-W20 AromaticContact CH2-CG 3.65Å; W12-W20 HydrophobicContact CH2-CG 3.65Å; W12-W20 HydrophobicContact CZ3-CB 3.52Å; W12-W20 AromaticContact CZ3-CD1 3.57Å; W12-W20 HydrophobicContact CZ3-CD2 4.01Å; W12-W20 AromaticContact CZ3-CG 3.39Å; W12-W20 HydrophobicContact CZ3-CG 3.39Å; W12-G43 PolarHBondContact O-N 3.01Å; W12-L46 HydrophobicContact CE3-CD2 4.49Å; W12-L46 HydrophobicContact CZ3-CD2 4.28Å; W12-M75 HydrophobicContact CH2-CG 4.37Å; W12-Y79 AromaticContact CH2-CE2 3.84Å; W12-Y79 HydrophobicContact CH2-CE2 3.84Å; W12-Y79 HydrophobicContact CZ2-CE1 4.23Å; W12-Y79 AromaticContact CZ2-CE2 4Å; W12-Y79 HydrophobicContact CZ2-CE2 4Å; W12-Y79 AromaticContact CZ2-CZ 3.75Å
13	T	96.1	Very high	84.1	Confident	55 Å²	55	74.2 Å²	74.2	34%	0.337	36%	0.36	S	S	.	.			trans	-69.2	162.1	166.7	60.6	0	0	0	0	110.6	N11 E15 D16 V17	N11-T13 PolarHBondContact O-N 2.92Å; T13-E15 VanDerWaalsContact CB-OE2 3.32Å; T13-E15 WeakPolarHBondContact CB-OE2 3.41Å; T13-E15 PolarHBondContact O-N 3.39Å; T13-E15 PolarHBondContact OG1-OE2 2.92Å; T13-D16 PolarHBondContact N-OD2 3.34Å; T13-D16 WeakPolarHBondContact O-CB 3.39Å; T13-D16 PolarHBondContact O-N 3.44Å; T13-D16 PolarHBondContact OG1-N 3.26Å; T13-D16 PolarHBondContact OG1-OD2 3.33Å; T13-V17 PolarHBondContact O-N 2.7Å
14	P	97.3	Very high	86.9	Confident	22 Å²	22	74.8 Å²	74.8	14%	0.143	34%	0.344	C	S	.	.	H	α-helix	trans	-52.1	-37.6	171.3	-27.3	36.7	0	0	0	112.9	D16 V17 V18 R40 I41	P14-D16 PolarHBondContact O-N 3.13Å; P14-V17 WeakPolarHBondContact O-CB 3.38Å; P14-V17 PolarHBondContact O-N 3.24Å; P14-V18 WeakPolarHBondContact O-CG2 3.38Å; P14-V18 PolarHBondContact O-N 2.76Å; P14-R40 HydrophobicContact CG-CB 4.24Å; P14-I41 WeakPolarHBondContact CA-O 3.43Å
15	E	97	Very high	89.2	Confident	73 Å²	73	65.9 Å²	65.9	34%	0.341	31%	0.305	S	S	.	.	H	α-helix	trans	-67.4	-36	177.9	-60.7	74.7	-164.2	0	0	111.9	T13 K19 R40	T13-E15 VanDerWaalsContact CB-OE2 3.32Å; T13-E15 WeakPolarHBondContact CB-OE2 3.41Å; T13-E15 PolarHBondContact O-N 3.39Å; T13-E15 PolarHBondContact OG1-OE2 2.92Å; E15-K19 VanDerWaalsContact O-CG 3.29Å; E15-K19 WeakPolarHBondContact O-CG 3.37Å; E15-K19 PolarHBondContact O-N 2.91Å; E15-R40 IonicContact OE1-NH1 3.64Å
16	D	96.6	Very high	91.5	Very high	30 Å²	30	60.1 Å²	60.1	16%	0.16	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-37.2	173.2	-65.7	-42.2	0	0	0	111.3	R7 W12 T13 P14 K19 W20	R7-D16 IonicContact NH1-OD2 3.46Å; W12-D16 HydrophobicContact CB-CB 3.77Å; W12-D16 HydrophobicContact CD2-CB 4.49Å; W12-D16 HydrophobicContact CG-CB 3.96Å; T13-D16 PolarHBondContact N-OD2 3.34Å; T13-D16 WeakPolarHBondContact O-CB 3.39Å; T13-D16 PolarHBondContact O-N 3.44Å; T13-D16 PolarHBondContact OG1-N 3.26Å; T13-D16 PolarHBondContact OG1-OD2 3.33Å; P14-D16 PolarHBondContact O-N 3.13Å; D16-K19 PolarHBondContact O-N 3.29Å; D16-W20 PolarHBondContact O-N 3.35Å
17	V	97.3	Very high	93.5	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-45.7	174	169.1	0	0	0	0	111.2	W12 T13 P14 K19 W20 L21 F36 I41 L46	W12-V17 HydrophobicContact CB-CG2 4.23Å; W12-V17 HydrophobicContact CE3-CG2 4.18Å; T13-V17 PolarHBondContact O-N 2.7Å; P14-V17 WeakPolarHBondContact O-CB 3.38Å; P14-V17 PolarHBondContact O-N 3.24Å; V17-K19 PolarHBondContact O-N 3.36Å; V17-W20 WeakPolarHBondContact O-CB 3.5Å; V17-W20 PolarHBondContact O-N 2.96Å; V17-W20 VanDerWaalsContact O-N 3.12Å; V17-L21 HydrophobicContact CG1-CD1 4.23Å; V17-L21 HydrophobicContact CG1-CG 4.47Å; V17-L21 WeakPolarHBondContact O-CG 3.26Å; V17-L21 PolarHBondContact O-N 2.97Å; V17-F36 HydrophobicContact CG1-CD1 4.09Å; V17-I41 WeakPolarHBondContact CB-O 3.4Å; V17-I41 WeakPolarHBondContact CG2-O 3.4Å; V17-L46 HydrophobicContact CG1-CD1 4.42Å; V17-L46 HydrophobicContact CG1-CD2 4.11Å; V17-L46 HydrophobicContact CG2-CB 4.43Å; V17-L46 HydrophobicContact CG2-CD2 4.25Å
18	V	98	Very high	95.2	Very high	17 Å²	17	54.6 Å²	54.6	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-46.8	176	170.3	0	0	0	0	110.9	P14 W20 L21 H22 E37	P14-V18 WeakPolarHBondContact O-CG2 3.38Å; P14-V18 PolarHBondContact O-N 2.76Å; V18-W20 VanDerWaalsContact C-N 3.27Å; V18-W20 PolarHBondContact O-N 3.2Å; V18-L21 WeakPolarHBondContact O-CB 3.33Å; V18-L21 PolarHBondContact O-N 3.13Å; V18-L21 VanDerWaalsContact O-N 3.12Å; V18-H22 PolarHBondContact O-CD2 3.23Å; V18-H22 VanDerWaalsContact O-CD2 3.25Å; V18-H22 PolarHBondContact O-N 2.99Å; V18-E37 HydrophobicContact CG2-CB 3.74Å; V18-E37 HydrophobicContact CG2-CG 4.19Å
19	K	97.2	Very high	95.8	Very high	136 Å²	136	51.7 Å²	51.7	59%	0.591	26%	0.263	S	S	*	.	H	α-helix	trans	-58.1	-40.5	174.9	-72.1	168.1	-170	163.8	0	112	E15 D16 V17 K23	E15-K19 VanDerWaalsContact O-CG 3.29Å; E15-K19 WeakPolarHBondContact O-CG 3.37Å; E15-K19 PolarHBondContact O-N 2.91Å; D16-K19 PolarHBondContact O-N 3.29Å; V17-K19 PolarHBondContact O-N 3.36Å; K19-K23 VanDerWaalsContact O-CB 3.28Å; K19-K23 WeakPolarHBondContact O-CB 3.5Å; K19-K23 PolarHBondContact O-N 3.3Å; K19-K23 VanDerWaalsContact O-N 3.1Å
20	W	96.6	Very high	96.2	Very high	15 Å²	15	53 Å²	53	6%	0.057	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-42.5	175.7	175.7	86.7	0	0	0	112	W12 D16 V17 V18 H22 K23 Y24 A25 L46 H71 I72 M75	W12-W20 HydrophobicContact CE3-CB 4.24Å; W12-W20 HydrophobicContact CE3-CG 4.49Å; W12-W20 HydrophobicContact CH2-CB 3.96Å; W12-W20 AromaticContact CH2-CD1 3.31Å; W12-W20 HydrophobicContact CH2-CD2 4.47Å; W12-W20 AromaticContact CH2-CG 3.65Å; W12-W20 HydrophobicContact CH2-CG 3.65Å; W12-W20 HydrophobicContact CZ3-CB 3.52Å; W12-W20 AromaticContact CZ3-CD1 3.57Å; W12-W20 HydrophobicContact CZ3-CD2 4.01Å; W12-W20 AromaticContact CZ3-CG 3.39Å; W12-W20 HydrophobicContact CZ3-CG 3.39Å; D16-W20 PolarHBondContact O-N 3.35Å; V17-W20 WeakPolarHBondContact O-CB 3.5Å; V17-W20 PolarHBondContact O-N 2.96Å; V17-W20 VanDerWaalsContact O-N 3.12Å; V18-W20 VanDerWaalsContact C-N 3.27Å; V18-W20 PolarHBondContact O-N 3.2Å; W20-H22 PolarHBondContact O-N 3.47Å; W20-K23 PolarHBondContact O-N 3.29Å; W20-Y24 AromaticContact CD1-CD2 3.25Å; W20-Y24 AromaticContact CD1-CE2 3.92Å; W20-Y24 HydrophobicContact CG-CD2 4.04Å; W20-Y24 AromaticContact NE1-CD2 3.55Å; W20-Y24 AromaticContact NE1-CG 3.92Å; W20-Y24 PolarHBondContact O-N 3.05Å; W20-A25 HydrophobicContact CH2-CB 4.32Å; W20-A25 HydrophobicContact CZ3-CB 4.29Å; W20-L46 HydrophobicContact CD2-CD2 4.37Å; W20-L46 HydrophobicContact CE3-CD2 3.77Å; W20-L46 HydrophobicContact CZ3-CD1 4.31Å; W20-L46 HydrophobicContact CZ3-CD2 3.89Å; W20-H71 HydrophobicContact CH2-CB 3.78Å; W20-H71 HydrophobicContact CZ2-CB 4.15Å; W20-I72 HydrophobicContact CH2-CG1 4.18Å; W20-I72 HydrophobicContact CZ3-CG1 4.49Å; W20-M75 HydrophobicContact CH2-CB 4.34Å; W20-M75 HydrophobicContact CZ2-CB 3.53Å; W20-M75 HydrophobicContact CZ2-CG 3.8Å
21	L	98	Very high	96.8	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-58.9	-48.8	177.6	-75.2	170.4	0	0	0	111.7	V17 V18 K23 A25 S26 F36 L68	V17-L21 HydrophobicContact CG1-CD1 4.23Å; V17-L21 HydrophobicContact CG1-CG 4.47Å; V17-L21 WeakPolarHBondContact O-CG 3.26Å; V17-L21 PolarHBondContact O-N 2.97Å; V18-L21 WeakPolarHBondContact O-CB 3.33Å; V18-L21 PolarHBondContact O-N 3.13Å; V18-L21 VanDerWaalsContact O-N 3.12Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 2.96Å; L21-A25 HydrophobicContact CD2-CB 4.11Å; L21-A25 CarbonylContact O-C 3.6Å; L21-A25 WeakPolarHBondContact O-CA 3.46Å; L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 2.59Å; L21-S26 PolarHBondContact O-N 2.73Å; L21-S26 VanDerWaalsContact O-N 3.11Å; L21-F36 HydrophobicContact CD1-CB 3.77Å; L21-F36 HydrophobicContact CD1-CD1 3.79Å; L21-F36 HydrophobicContact CD1-CD2 4.15Å; L21-F36 HydrophobicContact CD1-CE1 4.39Å; L21-F36 HydrophobicContact CD1-CG 3.64Å; L21-L68 HydrophobicContact CD2-CD2 4.03Å
22	H	97.7	Very high	97.1	Very high	90 Å²	90	51.6 Å²	51.6	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-39	177.4	-78.8	-77.4	0	0	0	112.9	V18 W20 S26 A30 S33	V18-H22 PolarHBondContact O-CD2 3.23Å; V18-H22 VanDerWaalsContact O-CD2 3.25Å; V18-H22 PolarHBondContact O-N 2.99Å; W20-H22 PolarHBondContact O-N 3.47Å; H22-S26 VanDerWaalsContact O-CB 3.28Å; H22-S26 WeakPolarHBondContact O-CB 3.15Å; H22-S26 PolarHBondContact O-OG 3.39Å; H22-A30 WeakPolarHBondContact ND1-CB 3.34Å; H22-S33 WeakPolarHBondContact NE2-CB 3.29Å; H22-S33 PolarHBondContact NE2-OG 3.39Å
23	K	96.8	Very high	97.3	Very high	146 Å²	146	51.2 Å²	51.2	64%	0.635	26%	0.259	S	S	*	.	H	α-helix	trans	-79.3	-40.7	-173.7	-176	171.8	179.9	-172.7	0	113.5	K19 W20 L21	K19-K23 VanDerWaalsContact O-CB 3.28Å; K19-K23 WeakPolarHBondContact O-CB 3.5Å; K19-K23 PolarHBondContact O-N 3.3Å; K19-K23 VanDerWaalsContact O-N 3.1Å; W20-K23 PolarHBondContact O-N 3.29Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 2.96Å
24	Y	96.1	Very high	97.4	Very high	100 Å²	100	55.5 Å²	55.5	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-117.5	-25.4	-168.2	-65.3	-71.8	0	0	0	113.9	W20 H71	W20-Y24 AromaticContact CD1-CD2 3.25Å; W20-Y24 AromaticContact CD1-CE2 3.92Å; W20-Y24 HydrophobicContact CG-CD2 4.04Å; W20-Y24 AromaticContact NE1-CD2 3.55Å; W20-Y24 AromaticContact NE1-CG 3.92Å; W20-Y24 PolarHBondContact O-N 3.05Å; Y24-H71 PolarHBondContact O-CD2 3.35Å; Y24-H71 PolarHBondContact O-NE2 3.16Å
25	A	96.9	Very high	97.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-106.4	5	-179.2	0	0	0	0	0	113	W20 L21 V28 G29 L68 H71	W20-A25 HydrophobicContact CH2-CB 4.32Å; W20-A25 HydrophobicContact CZ3-CB 4.29Å; L21-A25 HydrophobicContact CD2-CB 4.11Å; L21-A25 CarbonylContact O-C 3.6Å; L21-A25 WeakPolarHBondContact O-CA 3.46Å; L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 2.59Å; A25-V28 VanDerWaalsContact O-CG1 3.22Å; A25-V28 WeakPolarHBondContact O-CG1 3.07Å; A25-V28 PolarHBondContact O-N 3.02Å; A25-G29 PolarHBondContact O-N 3.17Å; A25-L68 HydrophobicContact CB-CD2 4.48Å; A25-H71 HydrophobicContact CB-CB 3.95Å
26	S	96.7	Very high	97.4	Very high	61 Å²	61	53.3 Å²	53.3	43%	0.427	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	143.9	174.8	-115.3	0	0	0	0	112.1	L21 H22 A30	L21-S26 PolarHBondContact O-N 2.73Å; L21-S26 VanDerWaalsContact O-N 3.11Å; H22-S26 VanDerWaalsContact O-CB 3.28Å; H22-S26 WeakPolarHBondContact O-CB 3.15Å; H22-S26 PolarHBondContact O-OG 3.39Å; S26-A30 WeakPolarHBondContact OG-CB 3.45Å
27	P	97.6	Very high	97.5	Very high	112 Å²	112	55.9 Å²	55.9	73%	0.727	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.6	-20.8	4	31.8	-34.9	0	0	0	114.3	G29 A30 K31	P27-G29 PolarHBondContact O-N 3.19Å; P27-A30 PolarHBondContact O-N 2.91Å; P27-K31 PolarHBondContact O-N 3.03Å
28	V	97.9	Very high	97.5	Very high	13 Å²	13	60.7 Å²	60.7	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-39.4	-173.7	68	0	0	0	0	112.5	A25 K31 Y32 D64 A67 L68	A25-V28 VanDerWaalsContact O-CG1 3.22Å; A25-V28 WeakPolarHBondContact O-CG1 3.07Å; A25-V28 PolarHBondContact O-N 3.02Å; V28-K31 WeakPolarHBondContact O-CB 3.32Å; V28-K31 PolarHBondContact O-N 3.29Å; V28-Y32 HydrophobicContact CG2-CD2 4.06Å; V28-Y32 HydrophobicContact CG2-CE2 3.95Å; V28-Y32 VanDerWaalsContact O-CD2 3.26Å; V28-Y32 WeakPolarHBondContact O-CD2 3.35Å; V28-Y32 PolarHBondContact O-N 3.44Å; V28-D64 HydrophobicContact CG2-CB 3.76Å; V28-A67 HydrophobicContact CG1-CB 3.93Å; V28-L68 HydrophobicContact CG1-CD2 4.11Å; V28-L68 HydrophobicContact CG1-CG 4.09Å; V28-L68 HydrophobicContact CG2-CD1 4.32Å; V28-L68 HydrophobicContact CG2-CG 3.94Å
29	G	97.6	Very high	97.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-40	176.3	0	0	0	0	0	112.8	A25 P27 K31 Y32 S33	A25-G29 PolarHBondContact O-N 3.17Å; P27-G29 PolarHBondContact O-N 3.19Å; G29-K31 VanDerWaalsContact C-N 3.34Å; G29-Y32 CarbonylContact O-C 3.44Å; G29-Y32 PolarHBondContact O-N 3.03Å; G29-S33 PolarHBondContact O-N 2.95Å
30	A	97.9	Very high	97.5	Very high	27 Å²	27	65.1 Å²	65.1	22%	0.223	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-41	174.6	0	0	0	0	0	111.5	H22 S26 P27 Y32 S33	H22-A30 WeakPolarHBondContact ND1-CB 3.34Å; S26-A30 WeakPolarHBondContact OG-CB 3.45Å; P27-A30 PolarHBondContact O-N 2.91Å; A30-Y32 VanDerWaalsContact C-N 3.27Å; A30-Y32 PolarHBondContact O-N 2.91Å; A30-S33 WeakPolarHBondContact O-CB 3.37Å; A30-S33 PolarHBondContact O-N 2.87Å; A30-S33 PolarHBondContact O-OG 2.75Å
31	K	98.2	Very high	97.6	Very high	131 Å²	131	65.3 Å²	65.3	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-57.2	-36.4	176.9	176.5	-177.9	174	-175.3	0	113.3	P27 V28 G29 D64	P27-K31 PolarHBondContact O-N 3.03Å; V28-K31 WeakPolarHBondContact O-CB 3.32Å; V28-K31 PolarHBondContact O-N 3.29Å; G29-K31 VanDerWaalsContact C-N 3.34Å; K31-D64 IonicContact NZ-OD2 3.45Å; K31-D64 PolarHBondContact NZ-OD2 3.16Å
32	Y	98.2	Very high	97.5	Very high	29 Å²	29	66.8 Å²	66.8	11%	0.114	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	11.6	-179.2	-62.2	-76	0	0	0	113.5	V28 G29 A30 E34 L35 F36 V59 D64 L68	V28-Y32 HydrophobicContact CG2-CD2 4.06Å; V28-Y32 HydrophobicContact CG2-CE2 3.95Å; V28-Y32 VanDerWaalsContact O-CD2 3.26Å; V28-Y32 WeakPolarHBondContact O-CD2 3.35Å; V28-Y32 PolarHBondContact O-N 3.44Å; G29-Y32 CarbonylContact O-C 3.44Å; G29-Y32 PolarHBondContact O-N 3.03Å; A30-Y32 VanDerWaalsContact C-N 3.27Å; A30-Y32 PolarHBondContact O-N 2.91Å; Y32-E34 PolarHBondContact O-N 3.2Å; Y32-L35 HydrophobicContact CD1-CD2 4.09Å; Y32-L35 WeakPolarHBondContact O-CB 3.43Å; Y32-L35 PolarHBondContact O-N 3.04Å; Y32-F36 VanDerWaalsContact O-CD2 3.26Å; Y32-F36 WeakPolarHBondContact O-CD2 3.5Å; Y32-F36 PolarHBondContact O-N 3.06Å; Y32-F36 VanDerWaalsContact O-N 3.13Å; Y32-V59 HydrophobicContact CD1-CG1 4.5Å; Y32-V59 HydrophobicContact CD1-CG2 3.83Å; Y32-V59 HydrophobicContact CD2-CG1 4.28Å; Y32-V59 HydrophobicContact CD2-CG2 4.47Å; Y32-V59 HydrophobicContact CE1-CB 4.31Å; Y32-V59 HydrophobicContact CE1-CG1 4.05Å; Y32-V59 HydrophobicContact CE1-CG2 4.05Å; Y32-V59 HydrophobicContact CE2-CG1 3.84Å; Y32-V59 HydrophobicContact CG-CG2 4.06Å; Y32-D64 HydrophobicContact CE2-CB 3.73Å; Y32-D64 WeakPolarHBondContact CE2-OD2 3.45Å; Y32-D64 PolarHBondContact OH-OD2 3.37Å; Y32-L68 HydrophobicContact CD2-CD1 3.93Å; Y32-L68 HydrophobicContact CG-CD1 4.49Å
33	S	97.6	Very high	97.4	Very high	17 Å²	17	62.5 Å²	62.5	12%	0.119	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-47.8	-176.3	55.5	0	0	0	0	112.7	H22 G29 A30 L35 F36 E37	H22-S33 WeakPolarHBondContact NE2-CB 3.29Å; H22-S33 PolarHBondContact NE2-OG 3.39Å; G29-S33 PolarHBondContact O-N 2.95Å; A30-S33 WeakPolarHBondContact O-CB 3.37Å; A30-S33 PolarHBondContact O-N 2.87Å; A30-S33 PolarHBondContact O-OG 2.75Å; S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 3.1Å; S33-F36 PolarHBondContact O-N 3.25Å; S33-F36 VanDerWaalsContact O-N 3.13Å; S33-E37 PolarHBondContact O-N 3.23Å
34	E	97.5	Very high	97.2	Very high	146 Å²	146	60.9 Å²	60.9	68%	0.682	31%	0.311	S	S	*	.	H	α-helix	trans	-60.9	-36.5	177.4	-175.1	178	-166.2	0	0	112.4	Y32 E37 T38	Y32-E34 PolarHBondContact O-N 3.2Å; E34-E37 PolarHBondContact O-N 3.47Å; E34-T38 VanDerWaalsContact O-CB 3.29Å; E34-T38 WeakPolarHBondContact O-CB 3.45Å; E34-T38 PolarHBondContact O-N 2.95Å; E34-T38 PolarHBondContact O-OG1 3.43Å
35	L	97.7	Very high	97.2	Very high	48 Å²	48	58.5 Å²	58.5	25%	0.251	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-42.5	176.3	-176.4	67.2	0	0	0	111	Y32 S33 N39 L57 V59	Y32-L35 HydrophobicContact CD1-CD2 4.09Å; Y32-L35 WeakPolarHBondContact O-CB 3.43Å; Y32-L35 PolarHBondContact O-N 3.04Å; S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 3.1Å; L35-N39 WeakPolarHBondContact O-CB 3.44Å; L35-N39 PolarHBondContact O-N 3.12Å; L35-N39 PolarHBondContact O-ND2 3.32Å; L35-L57 WeakPolarHBondContact CD1-O 3.38Å; L35-L57 HydrophobicContact CD2-CD2 4.12Å; L35-L57 HydrophobicContact CD2-CG 3.93Å; L35-L57 WeakPolarHBondContact CD2-O 3.41Å; L35-L57 HydrophobicContact CG-CD2 4.18Å; L35-L57 HydrophobicContact CG-CG 3.95Å; L35-V59 HydrophobicContact CD2-CG2 4.06Å
36	F	98	Very high	97.2	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-69.3	-38.1	176.9	-83.2	-119.1	0	0	0	112	V17 L21 Y32 S33 R40 I41 L46 M49 L54 L57	V17-F36 HydrophobicContact CG1-CD1 4.09Å; L21-F36 HydrophobicContact CD1-CB 3.77Å; L21-F36 HydrophobicContact CD1-CD1 3.79Å; L21-F36 HydrophobicContact CD1-CD2 4.15Å; L21-F36 HydrophobicContact CD1-CE1 4.39Å; L21-F36 HydrophobicContact CD1-CG 3.64Å; Y32-F36 VanDerWaalsContact O-CD2 3.26Å; Y32-F36 WeakPolarHBondContact O-CD2 3.5Å; Y32-F36 PolarHBondContact O-N 3.06Å; Y32-F36 VanDerWaalsContact O-N 3.13Å; S33-F36 PolarHBondContact O-N 3.25Å; S33-F36 VanDerWaalsContact O-N 3.13Å; F36-R40 PolarHBondContact O-N 3.25Å; F36-I41 HydrophobicContact CB-CB 4.3Å; F36-I41 HydrophobicContact CB-CG1 4.23Å; F36-I41 HydrophobicContact CD1-CB 3.85Å; F36-I41 HydrophobicContact CD1-CG1 3.95Å; F36-I41 HydrophobicContact CD1-CG2 3.76Å; F36-I41 HydrophobicContact CE1-CG2 4.19Å; F36-I41 HydrophobicContact CG-CB 4.39Å; F36-I41 HydrophobicContact CG-CG1 4.19Å; F36-I41 WeakPolarHBondContact O-CG1 3.44Å; F36-I41 PolarHBondContact O-N 2.87Å; F36-L46 HydrophobicContact CD1-CD1 4.37Å; F36-L46 HydrophobicContact CE1-CD1 3.72Å; F36-M49 HydrophobicContact CE1-CE 3.99Å; F36-M49 HydrophobicContact CZ-CE 4.39Å; F36-L54 HydrophobicContact CE2-CD2 4.18Å; F36-L54 HydrophobicContact CZ-CD2 3.59Å; F36-L57 HydrophobicContact CD2-CD2 3.91Å; F36-L57 HydrophobicContact CE2-CD2 3.76Å; F36-L57 HydrophobicContact CZ-CD2 4.22Å
37	E	97.5	Very high	97	Very high	84 Å²	84	58 Å²	58	39%	0.393	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-49.5	177.5	-168.3	167.5	-152.1	0	0	111.7	V18 S33 E34 N39 R40	V18-E37 HydrophobicContact CG2-CB 3.74Å; V18-E37 HydrophobicContact CG2-CG 4.19Å; S33-E37 PolarHBondContact O-N 3.23Å; E34-E37 PolarHBondContact O-N 3.47Å; E37-N39 VanDerWaalsContact C-N 3.32Å; E37-N39 PolarHBondContact O-N 3.2Å; E37-R40 WeakPolarHBondContact O-CA 3.44Å; E37-R40 PolarHBondContact O-N 3.01Å
38	T	97.6	Very high	96.9	Very high	101 Å²	101	57.7 Å²	57.7	62%	0.62	29%	0.289	S	S	*	.	H	α-helix	trans	-61.5	-40.8	-179.3	-59.7	0	0	0	0	111.5	E34 R40	E34-T38 VanDerWaalsContact O-CB 3.29Å; E34-T38 WeakPolarHBondContact O-CB 3.45Å; E34-T38 PolarHBondContact O-N 2.95Å; E34-T38 PolarHBondContact O-OG1 3.43Å; T38-R40 PolarHBondContact O-N 3.47Å
39	N	97.8	Very high	96.9	Very high	81 Å²	81	57.3 Å²	57.3	43%	0.433	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	5.2	175.4	-72	-84.6	0	0	0	113.4	L35 E37 I41 L57	L35-N39 WeakPolarHBondContact O-CB 3.44Å; L35-N39 PolarHBondContact O-N 3.12Å; L35-N39 PolarHBondContact O-ND2 3.32Å; E37-N39 VanDerWaalsContact C-N 3.32Å; E37-N39 PolarHBondContact O-N 3.2Å; N39-I41 VanDerWaalsContact C-N 3.27Å; N39-I41 HydrophobicContact CB-CD1 3.97Å; N39-I41 HydrophobicContact CB-CG1 4.15Å; N39-I41 PolarHBondContact O-N 3.12Å; N39-L57 HydrophobicContact CB-CD1 3.73Å; N39-L57 VanDerWaalsContact CG-CD1 3.45Å
40	R	97.7	Very high	96.9	Very high	164 Å²	164	60.1 Å²	60.1	62%	0.619	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	42.2	177.6	-59.6	-69	-171	164.5	-0.5	112.9	P14 E15 F36 E37 T38 S42	P14-R40 HydrophobicContact CG-CB 4.24Å; E15-R40 IonicContact OE1-NH1 3.64Å; F36-R40 PolarHBondContact O-N 3.25Å; E37-R40 WeakPolarHBondContact O-CA 3.44Å; E37-R40 PolarHBondContact O-N 3.01Å; T38-R40 PolarHBondContact O-N 3.47Å; R40-S42 PolarHBondContact O-N 3.03Å
41	I	97.8	Very high	96.9	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.097	31%	0.309	C	S	.	.			trans	-66.7	104.5	-179.8	-57.2	-53.2	0	0	0	109.6	P14 V17 F36 N39 C45 L46 M49 L57	P14-I41 WeakPolarHBondContact CA-O 3.43Å; V17-I41 WeakPolarHBondContact CB-O 3.4Å; V17-I41 WeakPolarHBondContact CG2-O 3.4Å; F36-I41 HydrophobicContact CB-CB 4.3Å; F36-I41 HydrophobicContact CB-CG1 4.23Å; F36-I41 HydrophobicContact CD1-CB 3.85Å; F36-I41 HydrophobicContact CD1-CG1 3.95Å; F36-I41 HydrophobicContact CD1-CG2 3.76Å; F36-I41 HydrophobicContact CE1-CG2 4.19Å; F36-I41 HydrophobicContact CG-CB 4.39Å; F36-I41 HydrophobicContact CG-CG1 4.19Å; F36-I41 WeakPolarHBondContact O-CG1 3.44Å; F36-I41 PolarHBondContact O-N 2.87Å; N39-I41 VanDerWaalsContact C-N 3.27Å; N39-I41 HydrophobicContact CB-CD1 3.97Å; N39-I41 HydrophobicContact CB-CG1 4.15Å; N39-I41 PolarHBondContact O-N 3.12Å; I41-C45 HydrophobicContact CG2-CB 3.87Å; I41-L46 HydrophobicContact CG2-CB 4.32Å; I41-M49 HydrophobicContact CD1-CE 4.39Å; I41-M49 HydrophobicContact CG2-CE 3.89Å; I41-L57 HydrophobicContact CD1-CD1 4.31Å
42	S	96.5	Very high	96.9	Very high	33 Å²	33	60 Å²	60	23%	0.231	30%	0.302	C	S	.	.			trans	-74.6	168.1	172.8	70.8	0	0	0	0	111.6	R40 M44 C45 L46	R40-S42 PolarHBondContact O-N 3.03Å; S42-M44 VanDerWaalsContact C-N 3.25Å; S42-M44 PolarHBondContact O-N 3.5Å; S42-C45 WeakPolarHBondContact O-CB 3.43Å; S42-C45 PolarHBondContact O-N 2.87Å; S42-C45 VanDerWaalsContact O-N 3.13Å; S42-C45 PolarHBondContact OG-N 3.41Å; S42-C45 PolarHBondContact OG-SG 3.34Å; S42-C45 VanDerWaalsContact OG-SG 3.35Å; S42-L46 PolarHBondContact O-N 3.22Å
43	G	94.8	Very high	96.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.1	-28.7	176.2	0	0	0	0	0	114	V9 W12 L46 R47	V9-G43 WeakPolarHBondContact CG1-O 3.47Å; V9-G43 CarbonylContact O-C 3.56Å; V9-G43 VanDerWaalsContact O-CA 3.23Å; V9-G43 WeakPolarHBondContact O-CA 3.29Å; W12-G43 PolarHBondContact O-N 3.01Å; G43-L46 PolarHBondContact O-N 2.74Å; G43-R47 WeakPolarHBondContact O-CB 3.41Å; G43-R47 PolarHBondContact O-N 3.25Å
44	M	93.1	Very high	96.9	Very high	112 Å²	112	63.8 Å²	63.8	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-62.2	-47	170.4	-173.3	178.3	-175.5	0	0	110.9	S42 R47 L48	S42-M44 VanDerWaalsContact C-N 3.25Å; S42-M44 PolarHBondContact O-N 3.5Å; M44-R47 PolarHBondContact O-N 3.38Å; M44-L48 WeakPolarHBondContact O-CG 3.26Å; M44-L48 PolarHBondContact O-N 3.42Å; M44-L48 VanDerWaalsContact O-N 3.16Å
45	C	96.4	Very high	96.9	Very high	49 Å²	49	60 Å²	60	33%	0.331	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-44.7	175.2	-62	0	0	0	0	111.5	I41 S42 R47 L48 M49	I41-C45 HydrophobicContact CG2-CB 3.87Å; S42-C45 WeakPolarHBondContact O-CB 3.43Å; S42-C45 PolarHBondContact O-N 2.87Å; S42-C45 VanDerWaalsContact O-N 3.13Å; S42-C45 PolarHBondContact OG-N 3.41Å; S42-C45 PolarHBondContact OG-SG 3.34Å; S42-C45 VanDerWaalsContact OG-SG 3.35Å; C45-R47 VanDerWaalsContact C-N 3.32Å; C45-R47 PolarHBondContact O-N 3.35Å; C45-L48 CarbonylContact O-C 3.34Å; C45-L48 PolarHBondContact O-N 3.35Å; C45-L48 VanDerWaalsContact O-N 3.13Å; C45-M49 PolarHBondContact O-N 3.13Å
46	L	96.8	Very high	96.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-42.2	177.1	-173.7	71.6	0	0	0	111.7	W12 V17 W20 F36 I41 S42 G43 L48 M49 I72 M75	W12-L46 HydrophobicContact CE3-CD2 4.49Å; W12-L46 HydrophobicContact CZ3-CD2 4.28Å; V17-L46 HydrophobicContact CG1-CD1 4.42Å; V17-L46 HydrophobicContact CG1-CD2 4.11Å; V17-L46 HydrophobicContact CG2-CB 4.43Å; V17-L46 HydrophobicContact CG2-CD2 4.25Å; W20-L46 HydrophobicContact CD2-CD2 4.37Å; W20-L46 HydrophobicContact CE3-CD2 3.77Å; W20-L46 HydrophobicContact CZ3-CD1 4.31Å; W20-L46 HydrophobicContact CZ3-CD2 3.89Å; F36-L46 HydrophobicContact CD1-CD1 4.37Å; F36-L46 HydrophobicContact CE1-CD1 3.72Å; I41-L46 HydrophobicContact CG2-CB 4.32Å; S42-L46 PolarHBondContact O-N 3.22Å; G43-L46 PolarHBondContact O-N 2.74Å; L46-L48 PolarHBondContact O-N 2.89Å; L46-M49 WeakPolarHBondContact O-CB 3.22Å; L46-M49 PolarHBondContact O-N 3.21Å; L46-I72 HydrophobicContact CD1-CD1 3.99Å; L46-I72 HydrophobicContact CD1-CG1 3.97Å; L46-I72 HydrophobicContact CG-CG1 4.48Å; L46-M75 HydrophobicContact CD2-CE 3.72Å; L46-M75 HydrophobicContact CG-CE 3.78Å
47	R	93.7	Very high	96.8	Very high	52 Å²	52	67.9 Å²	67.9	20%	0.196	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-27.6	177.5	-171.7	173.7	179.1	166.8	-6.3	112.2	V9 G43 M44 C45 R76 D80 D83	V9-R47 HydrophobicContact CG1-CB 4.38Å; G43-R47 WeakPolarHBondContact O-CB 3.41Å; G43-R47 PolarHBondContact O-N 3.25Å; M44-R47 PolarHBondContact O-N 3.38Å; C45-R47 VanDerWaalsContact C-N 3.32Å; C45-R47 PolarHBondContact O-N 3.35Å; R47-R76 HydrophobicContact CG-CG 4.41Å; R47-R76 PolarHBondContact O-NE 3.21Å; R47-R76 PolarHBondContact O-NH2 3.11Å; R47-D80 IonicContact CZ-OD1 3.68Å; R47-D80 IonicContact CZ-OD2 2.82Å; R47-D80 IonicContact NE-OD1 3.42Å; R47-D80 PolarHBondContact NE-OD1 3.22Å; R47-D80 VanDerWaalsContact NE-OD1 3.08Å; R47-D80 IonicContact NE-OD2 2.93Å; R47-D80 PolarHBondContact NE-OD2 3Å; R47-D80 IonicContact NH1-OD1 3.54Å; R47-D80 IonicContact NH2-OD1 2.64Å; R47-D80 PolarHBondContact NH2-OD1 3.11Å; R47-D80 IonicContact NH2-OD2 3.56Å; R47-D80 PolarHBondContact NH2-OD2 3.13Å; R47-D83 IonicContact CZ-OD2 3.92Å; R47-D83 IonicContact NH1-OD2 3.25Å; R47-D83 PolarHBondContact NH1-OD2 2.99Å
48	L	94.7	Very high	96.7	Very high	105 Å²	105	65.6 Å²	65.6	55%	0.55	33%	0.326	S	S	.	.	H	α-helix	trans	-94.8	-4	177	-63.3	175.6	0	0	0	114	M44 C45 L46	M44-L48 WeakPolarHBondContact O-CG 3.26Å; M44-L48 PolarHBondContact O-N 3.42Å; M44-L48 VanDerWaalsContact O-N 3.16Å; C45-L48 CarbonylContact O-C 3.34Å; C45-L48 PolarHBondContact O-N 3.35Å; C45-L48 VanDerWaalsContact O-N 3.13Å; L46-L48 PolarHBondContact O-N 2.89Å
49	M	97.1	Very high	96.8	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.02	30%	0.296	C	S	.	.			trans	-55.6	138.2	-174.6	-165.5	66.8	73.9	0	0	113.3	F36 I41 C45 L46 W53 L54 I72 R76	F36-M49 HydrophobicContact CE1-CE 3.99Å; F36-M49 HydrophobicContact CZ-CE 4.39Å; I41-M49 HydrophobicContact CD1-CE 4.39Å; I41-M49 HydrophobicContact CG2-CE 3.89Å; C45-M49 PolarHBondContact O-N 3.13Å; L46-M49 WeakPolarHBondContact O-CB 3.22Å; L46-M49 PolarHBondContact O-N 3.21Å; M49-W53 HydrophobicContact SD-CB 3.72Å; M49-W53 HydrophobicContact SD-CE3 4.23Å; M49-L54 HydrophobicContact CE-CD2 4.45Å; M49-L54 HydrophobicContact CG-CD2 3.75Å; M49-L54 HydrophobicContact CG-CG 3.85Å; M49-L54 HydrophobicContact SD-CD2 3.91Å; M49-L54 HydrophobicContact SD-CG 4.21Å; M49-I72 HydrophobicContact CB-CD1 4.07Å; M49-I72 HydrophobicContact CG-CD1 3.98Å; M49-R76 PolarHBondContact O-NH2 3.46Å
50	T	97.7	Very high	96.8	Very high	60 Å²	60	62.1 Å²	62.1	37%	0.368	31%	0.307	S	S	.	.			trans	-121.3	164.1	176.1	63.4	0	0	0	0	110.4	E52 W53 L54	T50-E52 VanDerWaalsContact C-N 3.28Å; T50-E52 PolarHBondContact O-N 3.41Å; T50-W53 PolarHBondContact O-N 2.81Å; T50-W53 WeakPolarHBondContact OG1-CB 3.22Å; T50-W53 PolarHBondContact OG1-N 3.37Å; T50-W53 VanDerWaalsContact OG1-N 3.17Å; T50-L54 PolarHBondContact O-N 2.92Å
51	D	98	Very high	96.8	Very high	63 Å²	63	57.9 Å²	57.9	34%	0.337	30%	0.296	S	S	.	.	H	α-helix	trans	-57.4	-43.8	174.6	-173.3	81.6	0	0	0	111.6	W53 L54 L55 R65 M69	D51-W53 VanDerWaalsContact C-N 3.32Å; D51-W53 PolarHBondContact O-N 3.39Å; D51-L54 WeakPolarHBondContact O-CB 3.47Å; D51-L54 PolarHBondContact O-N 3.44Å; D51-L54 VanDerWaalsContact O-N 3.16Å; D51-L55 PolarHBondContact O-N 2.93Å; D51-R65 WeakPolarHBondContact O-CD 3.36Å; D51-R65 VanDerWaalsContact OD1-CB 3.25Å; D51-R65 WeakPolarHBondContact OD1-CB 3.43Å; D51-R65 IonicContact OD1-NE 3.1Å; D51-R65 PolarHBondContact OD1-NE 2.71Å; D51-R65 IonicContact OD2-CZ 2.87Å; D51-R65 IonicContact OD2-NE 3.8Å; D51-R65 PolarHBondContact OD2-NE 3.26Å; D51-R65 VanDerWaalsContact OD2-NE 3.1Å; D51-R65 IonicContact OD2-NH2 3.9Å; D51-M69 HydrophobicContact CB-CG 4.43Å
52	E	98.1	Very high	96.8	Very high	91 Å²	91	63.5 Å²	63.5	43%	0.425	32%	0.322	S	S	.	.	H	α-helix	trans	-59.1	-41.3	176.3	178.8	65.7	-159.2	0	0	111.9	T50 L55 R56	T50-E52 VanDerWaalsContact C-N 3.28Å; T50-E52 PolarHBondContact O-N 3.41Å; E52-L55 PolarHBondContact O-N 3.41Å; E52-R56 WeakPolarHBondContact O-CG 3.48Å; E52-R56 PolarHBondContact O-N 2.96Å; E52-R56 IonicContact OE1-CZ 3.36Å; E52-R56 IonicContact OE1-NE 2.95Å; E52-R56 PolarHBondContact OE1-NE 2.77Å; E52-R56 IonicContact OE1-NH2 2.73Å; E52-R56 PolarHBondContact OE1-NH2 2.96Å
53	W	97.7	Very high	96.9	Very high	127 Å²	127	67.7 Å²	67.7	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-67.7	-38.8	176.1	-79.2	17.1	0	0	0	112.4	M49 T50 D51 L55 R56 L57	M49-W53 HydrophobicContact SD-CB 3.72Å; M49-W53 HydrophobicContact SD-CE3 4.23Å; T50-W53 PolarHBondContact O-N 2.81Å; T50-W53 WeakPolarHBondContact OG1-CB 3.22Å; T50-W53 PolarHBondContact OG1-N 3.37Å; T50-W53 VanDerWaalsContact OG1-N 3.17Å; D51-W53 VanDerWaalsContact C-N 3.32Å; D51-W53 PolarHBondContact O-N 3.39Å; W53-L55 VanDerWaalsContact C-N 3.31Å; W53-L55 PolarHBondContact O-N 3.21Å; W53-R56 PolarHBondContact O-N 3Å; W53-L57 WeakPolarHBondContact O-CB 3.49Å; W53-L57 PolarHBondContact O-N 2.87Å
54	L	98.2	Very high	97.1	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-62.1	-40.3	173.6	-69.8	176.8	0	0	0	111.6	F36 M49 T50 D51 L57 G58 V59 R65 L68 M69	F36-L54 HydrophobicContact CE2-CD2 4.18Å; F36-L54 HydrophobicContact CZ-CD2 3.59Å; M49-L54 HydrophobicContact CE-CD2 4.45Å; M49-L54 HydrophobicContact CG-CD2 3.75Å; M49-L54 HydrophobicContact CG-CG 3.85Å; M49-L54 HydrophobicContact SD-CD2 3.91Å; M49-L54 HydrophobicContact SD-CG 4.21Å; T50-L54 PolarHBondContact O-N 2.92Å; D51-L54 WeakPolarHBondContact O-CB 3.47Å; D51-L54 PolarHBondContact O-N 3.44Å; D51-L54 VanDerWaalsContact O-N 3.16Å; L54-L57 PolarHBondContact O-N 3.26Å; L54-G58 PolarHBondContact O-N 3.44Å; L54-V59 HydrophobicContact CB-CB 4.28Å; L54-V59 HydrophobicContact CB-CG2 4.44Å; L54-V59 HydrophobicContact CD2-CG2 4.49Å; L54-V59 WeakPolarHBondContact O-CB 3.25Å; L54-V59 PolarHBondContact O-N 2.85Å; L54-R65 HydrophobicContact CB-CG 4.01Å; L54-R65 HydrophobicContact CD1-CB 4.37Å; L54-L68 HydrophobicContact CD1-CB 3.97Å; L54-L68 HydrophobicContact CD2-CD1 4.47Å; L54-M69 HydrophobicContact CD1-CG 3.66Å; L54-M69 HydrophobicContact CD1-SD 3.59Å; L54-M69 VanDerWaalsContact CD1-SD 3.59Å; L54-M69 HydrophobicContact CG-SD 4.38Å
55	L	98.1	Very high	97.3	Very high	65 Å²	65	64.9 Å²	64.9	34%	0.34	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-48.5	175.2	177.7	60.3	0	0	0	110.8	D51 E52 W53 L57 G58	D51-L55 PolarHBondContact O-N 2.93Å; E52-L55 PolarHBondContact O-N 3.41Å; W53-L55 VanDerWaalsContact C-N 3.31Å; W53-L55 PolarHBondContact O-N 3.21Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 3.1Å; L55-G58 PolarHBondContact O-N 3.46Å
56	R	96.7	Very high	97.4	Very high	184 Å²	184	66.2 Å²	66.2	69%	0.694	34%	0.338	S	S	*	.	H	α-helix	trans	-64.2	-31.6	177.5	-70.4	178.4	-171.1	-154.2	0.4	113.5	E52 W53 G58	E52-R56 WeakPolarHBondContact O-CG 3.48Å; E52-R56 PolarHBondContact O-N 2.96Å; E52-R56 IonicContact OE1-CZ 3.36Å; E52-R56 IonicContact OE1-NE 2.95Å; E52-R56 PolarHBondContact OE1-NE 2.77Å; E52-R56 IonicContact OE1-NH2 2.73Å; E52-R56 PolarHBondContact OE1-NH2 2.96Å; W53-R56 PolarHBondContact O-N 3Å; R56-G58 PolarHBondContact O-N 3.07Å
57	L	96.2	Very high	97.5	Very high	31 Å²	31	67.9 Å²	67.9	16%	0.162	35%	0.351	C	S	.	.	H	α-helix	trans	-67.2	-24.3	175	-163.9	70	0	0	0	111.7	L35 F36 N39 I41 W53 L54 L55	L35-L57 WeakPolarHBondContact CD1-O 3.38Å; L35-L57 HydrophobicContact CD2-CD2 4.12Å; L35-L57 HydrophobicContact CD2-CG 3.93Å; L35-L57 WeakPolarHBondContact CD2-O 3.41Å; L35-L57 HydrophobicContact CG-CD2 4.18Å; L35-L57 HydrophobicContact CG-CG 3.95Å; F36-L57 HydrophobicContact CD2-CD2 3.91Å; F36-L57 HydrophobicContact CE2-CD2 3.76Å; F36-L57 HydrophobicContact CZ-CD2 4.22Å; N39-L57 HydrophobicContact CB-CD1 3.73Å; N39-L57 VanDerWaalsContact CG-CD1 3.45Å; I41-L57 HydrophobicContact CD1-CD1 4.31Å; W53-L57 WeakPolarHBondContact O-CB 3.49Å; W53-L57 PolarHBondContact O-N 2.87Å; L54-L57 PolarHBondContact O-N 3.26Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 3.1Å
58	G	96.9	Very high	97.7	Very high	37 Å²	37	65.5 Å²	65.5	38%	0.381	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	119.9	6.4	179.5	0	0	0	0	0	114.6	L54 L55 R56 V60	L54-G58 PolarHBondContact O-N 3.44Å; L55-G58 PolarHBondContact O-N 3.46Å; R56-G58 PolarHBondContact O-N 3.07Å; G58-V60 VanDerWaalsContact C-N 3.3Å; G58-V60 PolarHBondContact O-N 2.95Å
59	V	97.8	Very high	97.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.318	C	S	.	.			trans	-81.7	77.4	174.5	-170.3	0	0	0	0	109.3	Y32 L35 L54 D64 R65 L68	Y32-V59 HydrophobicContact CD1-CG1 4.5Å; Y32-V59 HydrophobicContact CD1-CG2 3.83Å; Y32-V59 HydrophobicContact CD2-CG1 4.28Å; Y32-V59 HydrophobicContact CD2-CG2 4.47Å; Y32-V59 HydrophobicContact CE1-CB 4.31Å; Y32-V59 HydrophobicContact CE1-CG1 4.05Å; Y32-V59 HydrophobicContact CE1-CG2 4.05Å; Y32-V59 HydrophobicContact CE2-CG1 3.84Å; Y32-V59 HydrophobicContact CG-CG2 4.06Å; L35-V59 HydrophobicContact CD2-CG2 4.06Å; L54-V59 HydrophobicContact CB-CB 4.28Å; L54-V59 HydrophobicContact CB-CG2 4.44Å; L54-V59 HydrophobicContact CD2-CG2 4.49Å; L54-V59 WeakPolarHBondContact O-CB 3.25Å; L54-V59 PolarHBondContact O-N 2.85Å; V59-D64 HydrophobicContact CG1-CB 4Å; V59-R65 HydrophobicContact CB-CG 3.86Å; V59-R65 HydrophobicContact CG1-CB 4.49Å; V59-R65 HydrophobicContact CG1-CG 3.53Å; V59-R65 WeakPolarHBondContact O-CD 3.28Å; V59-R65 WeakPolarHBondContact O-CG 3.23Å; V59-R65 PolarHBondContact O-NH1 3.34Å; V59-L68 HydrophobicContact CG1-CD1 4.1Å; V59-L68 HydrophobicContact CG2-CD1 4.28Å
60	V	98	Very high	97.9	Very high	108 Å²	108	63 Å²	63	66%	0.655	33%	0.333	S	S	*	.			trans	-73.6	-29.4	-171.5	-171.4	0	0	0	0	113	G58 Q62 R65	G58-V60 VanDerWaalsContact C-N 3.3Å; G58-V60 PolarHBondContact O-N 2.95Å; V60-Q62 PolarHBondContact O-N 3.21Å; V60-R65 PolarHBondContact O-NH1 3.16Å
61	N	98.3	Very high	97.9	Very high	75 Å²	75	61.9 Å²	61.9	40%	0.401	32%	0.324	S	S	.	.			trans	-71.2	121.4	179.5	-175.6	-64.2	0	0	0	111.2	N63 D64 R65	N61-N63 PolarHBondContact O-N 3.34Å; N61-N63 WeakPolarHBondContact OD1-CA 3.33Å; N61-N63 WeakPolarHBondContact OD1-CB 3.36Å; N61-N63 PolarHBondContact OD1-N 3.31Å; N61-D64 HydrophobicContact CB-CB 4.02Å; N61-D64 PolarHBondContact O-N 2.76Å; N61-D64 PolarHBondContact OD1-N 2.93Å; N61-R65 PolarHBondContact O-N 2.72Å
62	Q	98.2	Very high	97.9	Very high	137 Å²	137	59 Å²	59	64%	0.64	31%	0.308	S	S	*	.	H	α-helix	trans	-64.4	-37.1	-177.2	-175.9	179.5	-2.1	0	0	113.3	V60 D64 R65 S66	V60-Q62 PolarHBondContact O-N 3.21Å; Q62-D64 VanDerWaalsContact C-N 3.33Å; Q62-R65 PolarHBondContact O-N 3.07Å; Q62-S66 WeakPolarHBondContact O-CB 3.28Å; Q62-S66 PolarHBondContact O-N 3.21Å
63	N	98.3	Very high	97.8	Very high	122 Å²	122	60.5 Å²	60.5	65%	0.652	31%	0.311	S	S	*	.	H	α-helix	trans	-66.6	-40.1	177.9	-65	-27.1	0	0	0	110.6	N61 S66 A67	N61-N63 PolarHBondContact O-N 3.34Å; N61-N63 WeakPolarHBondContact OD1-CA 3.33Å; N61-N63 WeakPolarHBondContact OD1-CB 3.36Å; N61-N63 PolarHBondContact OD1-N 3.31Å; N63-S66 PolarHBondContact O-N 3.38Å; N63-A67 WeakPolarHBondContact O-CB 3.5Å; N63-A67 PolarHBondContact O-N 3.31Å
64	D	98.4	Very high	97.7	Very high	29 Å²	29	60.9 Å²	60.9	16%	0.155	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-44.1	176	-72.8	-12.7	0	0	0	111.8	V28 K31 Y32 V59 N61 Q62 A67 L68	V28-D64 HydrophobicContact CG2-CB 3.76Å; K31-D64 IonicContact NZ-OD2 3.45Å; K31-D64 PolarHBondContact NZ-OD2 3.16Å; Y32-D64 HydrophobicContact CE2-CB 3.73Å; Y32-D64 WeakPolarHBondContact CE2-OD2 3.45Å; Y32-D64 PolarHBondContact OH-OD2 3.37Å; V59-D64 HydrophobicContact CG1-CB 4Å; N61-D64 HydrophobicContact CB-CB 4.02Å; N61-D64 PolarHBondContact O-N 2.76Å; N61-D64 PolarHBondContact OD1-N 2.93Å; Q62-D64 VanDerWaalsContact C-N 3.33Å; D64-A67 PolarHBondContact O-N 3.5Å; D64-L68 WeakPolarHBondContact O-CB 3.49Å; D64-L68 WeakPolarHBondContact O-CG 3.47Å; D64-L68 PolarHBondContact O-N 3.46Å
65	R	98.4	Very high	97.5	Very high	23 Å²	23	61.1 Å²	61.1	9%	0.087	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-47.6	175.1	-68.4	-160.6	-58.9	-75.8	2.6	112	D51 L54 V59 V60 N61 Q62 A67 L68 M69	D51-R65 WeakPolarHBondContact O-CD 3.36Å; D51-R65 VanDerWaalsContact OD1-CB 3.25Å; D51-R65 WeakPolarHBondContact OD1-CB 3.43Å; D51-R65 IonicContact OD1-NE 3.1Å; D51-R65 PolarHBondContact OD1-NE 2.71Å; D51-R65 IonicContact OD2-CZ 2.87Å; D51-R65 IonicContact OD2-NE 3.8Å; D51-R65 PolarHBondContact OD2-NE 3.26Å; D51-R65 VanDerWaalsContact OD2-NE 3.1Å; D51-R65 IonicContact OD2-NH2 3.9Å; L54-R65 HydrophobicContact CB-CG 4.01Å; L54-R65 HydrophobicContact CD1-CB 4.37Å; V59-R65 HydrophobicContact CB-CG 3.86Å; V59-R65 HydrophobicContact CG1-CB 4.49Å; V59-R65 HydrophobicContact CG1-CG 3.53Å; V59-R65 WeakPolarHBondContact O-CD 3.28Å; V59-R65 WeakPolarHBondContact O-CG 3.23Å; V59-R65 PolarHBondContact O-NH1 3.34Å; V60-R65 PolarHBondContact O-NH1 3.16Å; N61-R65 PolarHBondContact O-N 2.72Å; Q62-R65 PolarHBondContact O-N 3.07Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 3.05Å; R65-L68 PolarHBondContact O-N 2.71Å; R65-M69 WeakPolarHBondContact O-CB 3.49Å; R65-M69 WeakPolarHBondContact O-CG 3.33Å; R65-M69 PolarHBondContact O-N 3.35Å
66	S	98.4	Very high	97.2	Very high	78 Å²	78	60.3 Å²	60.3	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-58.3	-43.6	178.2	-175.2	0	0	0	0	111.4	Q62 N63 M69 S70	Q62-S66 WeakPolarHBondContact O-CB 3.28Å; Q62-S66 PolarHBondContact O-N 3.21Å; N63-S66 PolarHBondContact O-N 3.38Å; S66-M69 PolarHBondContact O-N 2.77Å; S66-S70 WeakPolarHBondContact O-CB 3.48Å; S66-S70 PolarHBondContact O-N 2.82Å
67	A	98.3	Very high	97	Very high	35 Å²	35	58 Å²	58	29%	0.289	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-48.1	175.4	0	0	0	0	0	111.9	V28 N63 D64 R65 M69 S70 H71	V28-A67 HydrophobicContact CG1-CB 3.93Å; N63-A67 WeakPolarHBondContact O-CB 3.5Å; N63-A67 PolarHBondContact O-N 3.31Å; D64-A67 PolarHBondContact O-N 3.5Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 3.05Å; A67-M69 PolarHBondContact O-N 2.7Å; A67-S70 WeakPolarHBondContact O-CB 3.33Å; A67-S70 PolarHBondContact O-N 2.95Å; A67-H71 PolarHBondContact O-N 3.19Å; A67-H71 PolarHBondContact O-ND1 3.08Å
68	L	98.2	Very high	96.5	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-47.5	176.1	-80.7	169.3	0	0	0	111.9	L21 A25 V28 Y32 L54 V59 D64 R65 S70 H71 I72	L21-L68 HydrophobicContact CD2-CD2 4.03Å; A25-L68 HydrophobicContact CB-CD2 4.48Å; V28-L68 HydrophobicContact CG1-CD2 4.11Å; V28-L68 HydrophobicContact CG1-CG 4.09Å; V28-L68 HydrophobicContact CG2-CD1 4.32Å; V28-L68 HydrophobicContact CG2-CG 3.94Å; Y32-L68 HydrophobicContact CD2-CD1 3.93Å; Y32-L68 HydrophobicContact CG-CD1 4.49Å; L54-L68 HydrophobicContact CD1-CB 3.97Å; L54-L68 HydrophobicContact CD2-CD1 4.47Å; V59-L68 HydrophobicContact CG1-CD1 4.1Å; V59-L68 HydrophobicContact CG2-CD1 4.28Å; D64-L68 WeakPolarHBondContact O-CB 3.49Å; D64-L68 WeakPolarHBondContact O-CG 3.47Å; D64-L68 PolarHBondContact O-N 3.46Å; R65-L68 PolarHBondContact O-N 2.71Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 3.41Å; L68-H71 WeakPolarHBondContact O-CB 3.38Å; L68-H71 PolarHBondContact O-N 2.98Å; L68-H71 VanDerWaalsContact O-N 3.07Å; L68-I72 WeakPolarHBondContact O-CG1 3.17Å; L68-I72 PolarHBondContact O-N 2.88Å
69	M	98.2	Very high	95.8	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-59.9	-40.3	178.2	-74.4	-54.5	-60.2	0	0	111.9	D51 L54 R65 S66 A67 H71 I72 Y73	D51-M69 HydrophobicContact CB-CG 4.43Å; L54-M69 HydrophobicContact CD1-CG 3.66Å; L54-M69 HydrophobicContact CD1-SD 3.59Å; L54-M69 VanDerWaalsContact CD1-SD 3.59Å; L54-M69 HydrophobicContact CG-SD 4.38Å; R65-M69 WeakPolarHBondContact O-CB 3.49Å; R65-M69 WeakPolarHBondContact O-CG 3.33Å; R65-M69 PolarHBondContact O-N 3.35Å; S66-M69 PolarHBondContact O-N 2.77Å; A67-M69 PolarHBondContact O-N 2.7Å; M69-H71 VanDerWaalsContact C-N 3.31Å; M69-H71 PolarHBondContact O-N 3.43Å; M69-I72 PolarHBondContact O-N 3.27Å; M69-I72 VanDerWaalsContact O-N 3.16Å; M69-I72 HydrophobicContact SD-CD1 4.06Å; M69-Y73 HydrophobicContact CB-CD2 4.49Å; M69-Y73 HydrophobicContact CB-CE2 4.03Å; M69-Y73 HydrophobicContact CE-CE1 3.79Å; M69-Y73 HydrophobicContact CE-CE2 4.05Å; M69-Y73 VanDerWaalsContact CE-CZ 3.46Å; M69-Y73 WeakPolarHBondContact CE-OH 3.09Å; M69-Y73 WeakPolarHBondContact O-CD2 3.46Å; M69-Y73 VanDerWaalsContact O-CG 3.29Å; M69-Y73 PolarHBondContact O-N 3.38Å
70	S	98	Very high	95	Very high	48 Å²	48	64.8 Å²	64.8	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-58.1	-42.2	173.9	-174.1	0	0	0	0	112.3	S66 A67 L68 R74	S66-S70 WeakPolarHBondContact O-CB 3.48Å; S66-S70 PolarHBondContact O-N 2.82Å; A67-S70 WeakPolarHBondContact O-CB 3.33Å; A67-S70 PolarHBondContact O-N 2.95Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 3.41Å; S70-R74 WeakPolarHBondContact O-CG 3.49Å; S70-R74 PolarHBondContact O-N 3.36Å; S70-R74 VanDerWaalsContact O-N 3.07Å; S70-R74 PolarHBondContact O-NE 2.93Å; S70-R74 PolarHBondContact OG-NH2 2.96Å
71	H	97.7	Very high	94	Very high	38 Å²	38	63.6 Å²	63.6	18%	0.176	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-40.9	174.9	-66.3	92.5	0	0	0	112.3	W20 Y24 A25 A67 L68 M69 R74 M75	W20-H71 HydrophobicContact CH2-CB 3.78Å; W20-H71 HydrophobicContact CZ2-CB 4.15Å; Y24-H71 PolarHBondContact O-CD2 3.35Å; Y24-H71 PolarHBondContact O-NE2 3.16Å; A25-H71 HydrophobicContact CB-CB 3.95Å; A67-H71 PolarHBondContact O-N 3.19Å; A67-H71 PolarHBondContact O-ND1 3.08Å; L68-H71 WeakPolarHBondContact O-CB 3.38Å; L68-H71 PolarHBondContact O-N 2.98Å; L68-H71 VanDerWaalsContact O-N 3.07Å; M69-H71 VanDerWaalsContact C-N 3.31Å; M69-H71 PolarHBondContact O-N 3.43Å; H71-R74 PolarHBondContact CD2-NH2 2.97Å; H71-R74 VanDerWaalsContact CD2-NH2 3.26Å; H71-R74 PolarHBondContact CE1-NH2 2.83Å; H71-R74 PolarHBondContact NE2-NH2 3.45Å; H71-R74 PolarHBondContact O-N 3.07Å; H71-M75 VanDerWaalsContact O-CB 3.32Å; H71-M75 WeakPolarHBondContact O-CB 3.46Å; H71-M75 PolarHBondContact O-N 2.83Å
72	I	97	Very high	93	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-43.3	177.1	-67.6	165.1	0	0	0	110.5	W20 L46 M49 L68 M69 M75 R76	W20-I72 HydrophobicContact CH2-CG1 4.18Å; W20-I72 HydrophobicContact CZ3-CG1 4.49Å; L46-I72 HydrophobicContact CD1-CD1 3.99Å; L46-I72 HydrophobicContact CD1-CG1 3.97Å; L46-I72 HydrophobicContact CG-CG1 4.48Å; M49-I72 HydrophobicContact CB-CD1 4.07Å; M49-I72 HydrophobicContact CG-CD1 3.98Å; L68-I72 WeakPolarHBondContact O-CG1 3.17Å; L68-I72 PolarHBondContact O-N 2.88Å; M69-I72 PolarHBondContact O-N 3.27Å; M69-I72 VanDerWaalsContact O-N 3.16Å; M69-I72 HydrophobicContact SD-CD1 4.06Å; I72-M75 HydrophobicContact CB-CE 4.35Å; I72-M75 HydrophobicContact CG2-CE 3.91Å; I72-M75 WeakPolarHBondContact O-CB 3.39Å; I72-M75 PolarHBondContact O-N 3.24Å; I72-R76 WeakPolarHBondContact O-CG 3.41Å; I72-R76 PolarHBondContact O-N 2.81Å
73	Y	96.6	Very high	91.9	Very high	123 Å²	123	55.7 Å²	55.7	48%	0.482	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-44.3	175.8	-65.7	-45.7	0	0	0	112.4	M69 M75 R76 L77	M69-Y73 HydrophobicContact CB-CD2 4.49Å; M69-Y73 HydrophobicContact CB-CE2 4.03Å; M69-Y73 HydrophobicContact CE-CE1 3.79Å; M69-Y73 HydrophobicContact CE-CE2 4.05Å; M69-Y73 VanDerWaalsContact CE-CZ 3.46Å; M69-Y73 WeakPolarHBondContact CE-OH 3.09Å; M69-Y73 WeakPolarHBondContact O-CD2 3.46Å; M69-Y73 VanDerWaalsContact O-CG 3.29Å; M69-Y73 PolarHBondContact O-N 3.38Å; Y73-M75 VanDerWaalsContact C-N 3.27Å; Y73-M75 PolarHBondContact O-N 3.41Å; Y73-R76 PolarHBondContact O-N 2.75Å; Y73-L77 WeakPolarHBondContact O-CG 3.32Å; Y73-L77 PolarHBondContact O-N 2.93Å
74	R	94.9	Very high	90.9	Very high	136 Å²	136	54.9 Å²	54.9	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-39.6	174.6	-74.9	-176.8	-77.6	-138.1	3.6	112.1	S70 H71 K78	S70-R74 WeakPolarHBondContact O-CG 3.49Å; S70-R74 PolarHBondContact O-N 3.36Å; S70-R74 VanDerWaalsContact O-N 3.07Å; S70-R74 PolarHBondContact O-NE 2.93Å; S70-R74 PolarHBondContact OG-NH2 2.96Å; H71-R74 PolarHBondContact CD2-NH2 2.97Å; H71-R74 VanDerWaalsContact CD2-NH2 3.26Å; H71-R74 PolarHBondContact CE1-NH2 2.83Å; H71-R74 PolarHBondContact NE2-NH2 3.45Å; H71-R74 PolarHBondContact O-N 3.07Å; R74-K78 WeakPolarHBondContact O-CB 3.5Å; R74-K78 PolarHBondContact O-N 2.64Å; R74-K78 VanDerWaalsContact O-N 3.11Å
75	M	94.5	Very high	89.9	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-48	176.3	176.4	-83.3	-61.3	0	0	110.9	V9 W12 W20 L46 H71 I72 Y73 L77 K78 Y79	V9-M75 HydrophobicContact CB-SD 4.25Å; V9-M75 HydrophobicContact CG1-SD 3.67Å; V9-M75 HydrophobicContact CG2-CG 4.4Å; V9-M75 HydrophobicContact CG2-SD 3.69Å; W12-M75 HydrophobicContact CH2-CG 4.37Å; W20-M75 HydrophobicContact CH2-CB 4.34Å; W20-M75 HydrophobicContact CZ2-CB 3.53Å; W20-M75 HydrophobicContact CZ2-CG 3.8Å; L46-M75 HydrophobicContact CD2-CE 3.72Å; L46-M75 HydrophobicContact CG-CE 3.78Å; H71-M75 VanDerWaalsContact O-CB 3.32Å; H71-M75 WeakPolarHBondContact O-CB 3.46Å; H71-M75 PolarHBondContact O-N 2.83Å; I72-M75 HydrophobicContact CB-CE 4.35Å; I72-M75 HydrophobicContact CG2-CE 3.91Å; I72-M75 WeakPolarHBondContact O-CB 3.39Å; I72-M75 PolarHBondContact O-N 3.24Å; Y73-M75 VanDerWaalsContact C-N 3.27Å; Y73-M75 PolarHBondContact O-N 3.41Å; M75-L77 PolarHBondContact O-N 3.48Å; M75-K78 PolarHBondContact O-N 2.96Å; M75-Y79 HydrophobicContact CB-CD2 4.43Å; M75-Y79 HydrophobicContact CG-CD2 3.67Å; M75-Y79 HydrophobicContact CG-CE2 3.8Å; M75-Y79 WeakPolarHBondContact O-CD2 3.42Å; M75-Y79 PolarHBondContact O-N 2.68Å; M75-Y79 HydrophobicContact SD-CD2 4.16Å
76	R	93.1	Very high	88.8	Confident	47 Å²	47	57.8 Å²	57.8	18%	0.177	30%	0.304	C	S	.	.	H	α-helix	trans	-54.5	-52.2	173.2	-70.1	172.1	-179.5	156.3	7.5	112.1	R47 M49 I72 Y73 K78 Y79 D80	R47-R76 HydrophobicContact CG-CG 4.41Å; R47-R76 PolarHBondContact O-NE 3.21Å; R47-R76 PolarHBondContact O-NH2 3.11Å; M49-R76 PolarHBondContact O-NH2 3.46Å; I72-R76 WeakPolarHBondContact O-CG 3.41Å; I72-R76 PolarHBondContact O-N 2.81Å; Y73-R76 PolarHBondContact O-N 2.75Å; R76-K78 PolarHBondContact O-N 2.8Å; R76-Y79 PolarHBondContact O-N 3.06Å; R76-D80 WeakPolarHBondContact O-CB 3.31Å; R76-D80 PolarHBondContact O-N 3.31Å; R76-D80 VanDerWaalsContact O-OD1 3.1Å
77	L	90.7	Very high	87.7	Confident	137 Å²	137	60.4 Å²	60.4	72%	0.717	31%	0.309	S	S	*	.	H	α-helix	trans	-57	-40	-179.8	-70.9	171.4	0	0	0	112.4	Y73 M75 S81	Y73-L77 WeakPolarHBondContact O-CG 3.32Å; Y73-L77 PolarHBondContact O-N 2.93Å; M75-L77 PolarHBondContact O-N 3.48Å; L77-S81 WeakPolarHBondContact O-CB 3.4Å
78	K	86.7	Confident	86.9	Confident	128 Å²	128	64.2 Å²	64.2	56%	0.557	32%	0.324	S	S	*	.	H	α-helix	trans	-71.9	-45.9	-179.5	-176.9	174.8	-178.8	174.9	0	112.8	R74 M75 R76	R74-K78 WeakPolarHBondContact O-CB 3.5Å; R74-K78 PolarHBondContact O-N 2.64Å; R74-K78 VanDerWaalsContact O-N 3.11Å; M75-K78 PolarHBondContact O-N 2.96Å; R76-K78 PolarHBondContact O-N 2.8Å
79	Y	83.1	Confident	85.9	Confident	27 Å²	27	71.2 Å²	71.2	11%	0.106	36%	0.355	C	S	.	.	H	α-helix	trans	-88.8	-33.9	-171.7	-68.7	-74.9	0	0	0	112.7	V9 W12 M75 R76 S81 S82 D83	V9-Y79 HydrophobicContact CG2-CD1 3.91Å; V9-Y79 HydrophobicContact CG2-CD2 3.32Å; V9-Y79 HydrophobicContact CG2-CE1 4.46Å; V9-Y79 HydrophobicContact CG2-CE2 3.96Å; V9-Y79 HydrophobicContact CG2-CG 3.3Å; W12-Y79 AromaticContact CH2-CE2 3.84Å; W12-Y79 HydrophobicContact CH2-CE2 3.84Å; W12-Y79 HydrophobicContact CZ2-CE1 4.23Å; W12-Y79 AromaticContact CZ2-CE2 4Å; W12-Y79 HydrophobicContact CZ2-CE2 4Å; W12-Y79 AromaticContact CZ2-CZ 3.75Å; M75-Y79 HydrophobicContact CB-CD2 4.43Å; M75-Y79 HydrophobicContact CG-CD2 3.67Å; M75-Y79 HydrophobicContact CG-CE2 3.8Å; M75-Y79 WeakPolarHBondContact O-CD2 3.42Å; M75-Y79 PolarHBondContact O-N 2.68Å; M75-Y79 HydrophobicContact SD-CD2 4.16Å; R76-Y79 PolarHBondContact O-N 3.06Å; Y79-S81 VanDerWaalsContact C-N 3.25Å; Y79-S81 PolarHBondContact O-N 3.34Å; Y79-S82 WeakPolarHBondContact O-CB 3.45Å; Y79-S82 PolarHBondContact O-N 2.82Å; Y79-D83 WeakPolarHBondContact O-CB 3.47Å; Y79-D83 VanDerWaalsContact O-CG 3.29Å; Y79-D83 PolarHBondContact O-N 2.95Å
80	D	80.3	Confident	84.3	Confident	54 Å²	54	77.9 Å²	77.9	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-35.5	177.4	-66.4	22	0	0	0	111	R47 R76 L84	R47-D80 IonicContact CZ-OD1 3.68Å; R47-D80 IonicContact CZ-OD2 2.82Å; R47-D80 IonicContact NE-OD1 3.42Å; R47-D80 PolarHBondContact NE-OD1 3.22Å; R47-D80 VanDerWaalsContact NE-OD1 3.08Å; R47-D80 IonicContact NE-OD2 2.93Å; R47-D80 PolarHBondContact NE-OD2 3Å; R47-D80 IonicContact NH1-OD1 3.54Å; R47-D80 IonicContact NH2-OD1 2.64Å; R47-D80 PolarHBondContact NH2-OD1 3.11Å; R47-D80 IonicContact NH2-OD2 3.56Å; R47-D80 PolarHBondContact NH2-OD2 3.13Å; R76-D80 WeakPolarHBondContact O-CB 3.31Å; R76-D80 PolarHBondContact O-N 3.31Å; R76-D80 VanDerWaalsContact O-OD1 3.1Å; D80-L84 VanDerWaalsContact O-CB 3.31Å; D80-L84 WeakPolarHBondContact O-CB 3.11Å; D80-L84 PolarHBondContact O-N 3.48Å
81	S	77.4	Confident	82	Confident	84 Å²	84	85 Å²	85	59%	0.587	43%	0.425	S	S	*	.	H	α-helix	trans	-65.7	-39.4	172.8	176.6	0	0	0	0	112.4	L77 Y79 S85	L77-S81 WeakPolarHBondContact O-CB 3.4Å; Y79-S81 VanDerWaalsContact C-N 3.25Å; Y79-S81 PolarHBondContact O-N 3.34Å; S81-S85 WeakPolarHBondContact O-CB 3.5Å; S81-S85 PolarHBondContact O-N 2.99Å
82	S	76.6	Confident	81.2	Confident	34 Å²	34	87.4 Å²	87.4	24%	0.238	44%	0.437	C	S	.	.	H	α-helix	trans	-67.4	-47.8	175.5	-167.4	0	0	0	0	111.1	Y79 L84 S85 D86	Y79-S82 WeakPolarHBondContact O-CB 3.45Å; Y79-S82 PolarHBondContact O-N 2.82Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 3.49Å; S82-S85 PolarHBondContact O-N 3.46Å; S82-D86 WeakPolarHBondContact O-CB 3.29Å; S82-D86 VanDerWaalsContact O-CG 3.28Å; S82-D86 PolarHBondContact O-N 3.36Å
83	D	74.6	Confident	80.4	Confident	12 Å²	12	91.9 Å²	91.9	6%	0.064	46%	0.46	C	S	.	.	H	α-helix	trans	-57.7	-47.7	179.1	-69.7	7.2	0	0	0	110.3	H8 R47 Y79 D86 M87	H8-D83 IonicContact CE1-OD1 3.08Å; H8-D83 IonicContact CG-OD1 2.83Å; H8-D83 IonicContact ND1-OD1 3.43Å; H8-D83 PolarHBondContact ND1-OD1 2.84Å; R47-D83 IonicContact CZ-OD2 3.92Å; R47-D83 IonicContact NH1-OD2 3.25Å; R47-D83 PolarHBondContact NH1-OD2 2.99Å; Y79-D83 WeakPolarHBondContact O-CB 3.47Å; Y79-D83 VanDerWaalsContact O-CG 3.29Å; Y79-D83 PolarHBondContact O-N 2.95Å; D83-D86 PolarHBondContact O-N 3.41Å; D83-M87 WeakPolarHBondContact O-CB 3.49Å; D83-M87 VanDerWaalsContact O-CG 3.25Å; D83-M87 WeakPolarHBondContact O-CG 3.38Å; D83-M87 PolarHBondContact O-N 3.43Å
84	L	77.3	Confident	79.5	Confident	104 Å²	104	90.2 Å²	90.2	55%	0.545	46%	0.459	S	S	.	.	H	α-helix	trans	-64.7	-42.5	178.9	-175.9	62.7	0	0	0	112	D80 S82 D86 M87 L88	D80-L84 VanDerWaalsContact O-CB 3.31Å; D80-L84 WeakPolarHBondContact O-CB 3.11Å; D80-L84 PolarHBondContact O-N 3.48Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 3.49Å; L84-D86 VanDerWaalsContact C-N 3.32Å; L84-D86 PolarHBondContact O-N 3.38Å; L84-M87 PolarHBondContact O-N 2.95Å; L84-L88 HydrophobicContact CD1-CD1 4.24Å; L84-L88 HydrophobicContact CD1-CG 4.29Å; L84-L88 HydrophobicContact CG-CD1 4.05Å; L84-L88 HydrophobicContact CG-CG 4.5Å; L84-L88 WeakPolarHBondContact O-CB 3.25Å; L84-L88 VanDerWaalsContact O-CG 3.29Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 2.9Å
85	S	78.3	Confident	78.6	Confident	51 Å²	51	87.5 Å²	87.5	36%	0.357	46%	0.456	S	S	.	.	H	α-helix	trans	-62.6	-40.6	177.5	-174.1	0	0	0	0	111.9	S81 S82 K89	S81-S85 WeakPolarHBondContact O-CB 3.5Å; S81-S85 PolarHBondContact O-N 2.99Å; S82-S85 PolarHBondContact O-N 3.46Å; S85-K89 WeakPolarHBondContact O-CG 3.32Å; S85-K89 PolarHBondContact O-N 3.45Å
86	D	76	Confident	77.6	Confident	63 Å²	63	92.7 Å²	92.7	34%	0.337	48%	0.483	S	S	.	.	H	α-helix	trans	-70.5	-39.3	178.8	-68.1	-26.2	0	0	0	111.2	H8 S82 D83 L84 L88 K89 N90	H8-D86 IonicContact CE1-OD2 2.97Å; H8-D86 PolarHBondContact CE1-OD2 3.34Å; S82-D86 WeakPolarHBondContact O-CB 3.29Å; S82-D86 VanDerWaalsContact O-CG 3.28Å; S82-D86 PolarHBondContact O-N 3.36Å; D83-D86 PolarHBondContact O-N 3.41Å; L84-D86 VanDerWaalsContact C-N 3.32Å; L84-D86 PolarHBondContact O-N 3.38Å; D86-L88 PolarHBondContact O-N 2.92Å; D86-K89 PolarHBondContact O-N 3.25Å; D86-N90 PolarHBondContact O-N 3.06Å
87	M	75.4	Confident	76.5	Confident	133 Å²	133	95.7 Å²	95.7	66%	0.655	50%	0.503	S	S	*	.	H	α-helix	trans	-62.1	-40.7	174.2	-74.2	179	72.3	0	0	112.5	D83 L84 N90	D83-M87 WeakPolarHBondContact O-CB 3.49Å; D83-M87 VanDerWaalsContact O-CG 3.25Å; D83-M87 WeakPolarHBondContact O-CG 3.38Å; D83-M87 PolarHBondContact O-N 3.43Å; L84-M87 PolarHBondContact O-N 2.95Å; M87-N90 PolarHBondContact O-N 3.2Å
88	L	81	Confident	75.5	Confident	114 Å²	114	92.8 Å²	92.8	60%	0.597	49%	0.488	S	S	*	.	H	α-helix	trans	-73.3	-27	-179.3	-70.5	172.8	0	0	0	113.5	L84 D86 N90	L84-L88 HydrophobicContact CD1-CD1 4.24Å; L84-L88 HydrophobicContact CD1-CG 4.29Å; L84-L88 HydrophobicContact CG-CD1 4.05Å; L84-L88 HydrophobicContact CG-CG 4.5Å; L84-L88 WeakPolarHBondContact O-CB 3.25Å; L84-L88 VanDerWaalsContact O-CG 3.29Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 2.9Å; D86-L88 PolarHBondContact O-N 2.92Å; L88-N90 VanDerWaalsContact C-N 3.28Å
89	K	76.9	Confident	74.7	Confident	149 Å²	149	90.1 Å²	90.1	65%	0.648	48%	0.482	S	S	*	.	H	α-helix	trans	-75.2	-18.1	176.3	-75.7	171.3	-173.6	165.6	0	113.6	S85 D86	S85-K89 WeakPolarHBondContact O-CG 3.32Å; S85-K89 PolarHBondContact O-N 3.45Å; D86-K89 PolarHBondContact O-N 3.25Å
90	N	63.5	Low	74	Confident	148 Å²	148	95.3 Å²	95.3	79%	0.791	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	8	-174.5	-121.1	75.5	0	0	0	113.2	D86 M87 L88	D86-N90 PolarHBondContact O-N 3.06Å; M87-N90 PolarHBondContact O-N 3.2Å; L88-N90 VanDerWaalsContact C-N 3.28Å
91	N	50.5	Low	73.4	Confident	198 Å²	198	99.1 Å²	99.1	100%	1.059	53%	0.534	S	S	*	.			trans	-111.5	0	167.4	-80.6	-30.7	0	0	0	109.5

Retrieved 91 of 91 residues in 88.5 ms (Link to these results)

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