A0A5K4F5U3_SCHMA Loading...

Venom protein

AlphaFold DB , UniProt , Accession A0A5K4F5U3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 77 aa.

						>A0A5K4F5U3_SCHMA|A0A5K4F5U3
MSTKLLLWITITLYVFTWQTIEAIKTKSNEICSTSQISRIRYSIETMENILSQCEDGAFAGAYAKRGPEPLWVVETK
					

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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	57.3	Low	83.6	Confident	211 Å²	211	117.7 Å²	117.7	100%	1.039	60%	0.599	S	S	*	*				0	128.7	0	-69.8	-178.4	-172.4	0	0	108.2
2	S	76	Confident	84.1	Confident	66 Å²	66	114.9 Å²	114.9	46%	0.462	59%	0.592	S	S	.	*			trans	-67.5	138.3	-178.6	-173	0	0	0	0	110.2	K4 L5	S2-K4 PolarHBondContact O-N 3.32Å; S2-L5 WeakPolarHBondContact O-CB 3.28Å; S2-L5 PolarHBondContact O-N 2.98Å
3	T	80.3	Confident	84.6	Confident	102 Å²	102	114.1 Å²	114.1	63%	0.626	59%	0.588	S	S	*	*	H	α-helix	trans	-53	-29.5	176.5	47.4	0	0	0	0	112.8	L5 L6 L7	T3-L5 VanDerWaalsContact C-N 3.33Å; T3-L5 PolarHBondContact O-N 3.13Å; T3-L6 PolarHBondContact O-N 2.96Å; T3-L7 PolarHBondContact O-N 2.98Å; T3-L7 VanDerWaalsContact O-N 3.09Å
4	K	84.1	Confident	85.2	Confident	155 Å²	155	116.5 Å²	116.5	67%	0.674	59%	0.588	S	S	*	*	H	α-helix	trans	-59.2	-40.1	173.3	-64.7	-175.6	177.2	-178.1	0	112.6	S2 W8	S2-K4 PolarHBondContact O-N 3.32Å; K4-W8 VanDerWaalsContact O-CD1 3.24Å; K4-W8 PolarHBondContact O-N 3.5Å; K4-W8 VanDerWaalsContact O-N 3.13Å
5	L	87.1	Confident	85.6	Confident	104 Å²	104	113.4 Å²	113.4	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-67.7	-42.1	177.6	-89	158.1	0	0	0	111.8	S2 T3 L7 W8 I9	S2-L5 WeakPolarHBondContact O-CB 3.28Å; S2-L5 PolarHBondContact O-N 2.98Å; T3-L5 VanDerWaalsContact C-N 3.33Å; T3-L5 PolarHBondContact O-N 3.13Å; L5-L7 PolarHBondContact O-N 2.88Å; L5-W8 PolarHBondContact O-N 3.44Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.33Å; L5-I9 PolarHBondContact O-N 3.07Å
6	L	86.5	Confident	85.8	Confident	97 Å²	97	114.9 Å²	114.9	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-60.9	-45.2	177.3	-83.1	158.6	0	0	0	111.5	T3 W8 I9 T10	T3-L6 PolarHBondContact O-N 2.96Å; L6-W8 PolarHBondContact O-N 2.93Å; L6-I9 PolarHBondContact O-N 2.9Å; L6-T10 PolarHBondContact O-N 3.35Å; L6-T10 PolarHBondContact O-OG1 3.47Å
7	L	88.1	Confident	86	Confident	112 Å²	112	112 Å²	112	59%	0.586	57%	0.568	S	S	*	*	H	α-helix	trans	-61.1	-45.1	176.5	-72.2	170.9	0	0	0	111.9	T3 L5 I9 T10 I11	T3-L7 PolarHBondContact O-N 2.98Å; T3-L7 VanDerWaalsContact O-N 3.09Å; L5-L7 PolarHBondContact O-N 2.88Å; L7-I9 PolarHBondContact O-N 3.46Å; L7-T10 PolarHBondContact O-N 3.46Å; L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 3.33Å
8	W	88	Confident	86.1	Confident	176 Å²	176	113.3 Å²	113.3	67%	0.667	57%	0.565	S	S	*	*	H	α-helix	trans	-59.2	-46.9	176.7	-91.6	107.1	0	0	0	112.3	K4 L5 L6 T10 I11 T12	K4-W8 VanDerWaalsContact O-CD1 3.24Å; K4-W8 PolarHBondContact O-N 3.5Å; K4-W8 VanDerWaalsContact O-N 3.13Å; L5-W8 PolarHBondContact O-N 3.44Å; L6-W8 PolarHBondContact O-N 2.93Å; W8-T10 PolarHBondContact O-N 3.36Å; W8-I11 PolarHBondContact O-N 3.44Å; W8-T12 WeakPolarHBondContact O-CB 3.29Å; W8-T12 PolarHBondContact O-N 3.33Å; W8-T12 PolarHBondContact O-OG1 3.01Å
9	I	90.6	Very high	86.2	Confident	89 Å²	89	114.3 Å²	114.3	46%	0.456	57%	0.568	S	S	.	*	H	α-helix	trans	-60.5	-46.5	178.4	-67.4	163.8	0	0	0	110.7	L5 L6 L7 I11 T12 L13	L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.33Å; L5-I9 PolarHBondContact O-N 3.07Å; L6-I9 PolarHBondContact O-N 2.9Å; L7-I9 PolarHBondContact O-N 3.46Å; I9-I11 PolarHBondContact O-N 3Å; I9-T12 PolarHBondContact O-N 3.49Å; I9-L13 HydrophobicContact CG2-CD1 3.85Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.29Å; I9-L13 WeakPolarHBondContact O-CG 3.34Å; I9-L13 PolarHBondContact O-N 3.32Å
10	T	89.8	Confident	86.2	Confident	88 Å²	88	111.2 Å²	111.2	54%	0.54	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-42.5	179.3	-56.2	0	0	0	0	112.1	L6 L7 W8 L13 Y14	L6-T10 PolarHBondContact O-N 3.35Å; L6-T10 PolarHBondContact O-OG1 3.47Å; L7-T10 PolarHBondContact O-N 3.46Å; W8-T10 PolarHBondContact O-N 3.36Å; T10-L13 PolarHBondContact O-N 3.4Å; T10-Y14 WeakPolarHBondContact O-CB 3.42Å; T10-Y14 PolarHBondContact O-N 3.28Å
11	I	91.4	Very high	86.1	Confident	95 Å²	95	110.2 Å²	110.2	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-64.6	-45.6	177.9	-67.2	166.5	0	0	0	110.2	L7 W8 I9 L13 Y14 V15	L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 3.33Å; W8-I11 PolarHBondContact O-N 3.44Å; I9-I11 PolarHBondContact O-N 3Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 3.48Å; I11-Y14 PolarHBondContact O-N 2.94Å; I11-V15 HydrophobicContact CG2-CG2 4.45Å; I11-V15 WeakPolarHBondContact O-CG2 3.37Å; I11-V15 PolarHBondContact O-N 3.46Å
12	T	90.4	Very high	87.4	Confident	84 Å²	84	103.7 Å²	103.7	52%	0.515	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-41.7	178.5	-56.8	0	0	0	0	111.7	W8 I9 V15 F16	W8-T12 WeakPolarHBondContact O-CB 3.29Å; W8-T12 PolarHBondContact O-N 3.33Å; W8-T12 PolarHBondContact O-OG1 3.01Å; I9-T12 PolarHBondContact O-N 3.49Å; T12-V15 PolarHBondContact O-N 2.96Å; T12-F16 WeakPolarHBondContact O-CB 3.31Å; T12-F16 PolarHBondContact O-N 3.09Å
13	L	90.8	Very high	87.5	Confident	104 Å²	104	103.1 Å²	103.1	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-43.2	175.2	-73.2	171.8	0	0	0	111.7	I9 T10 I11 F16 T17	I9-L13 HydrophobicContact CG2-CD1 3.85Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.29Å; I9-L13 WeakPolarHBondContact O-CG 3.34Å; I9-L13 PolarHBondContact O-N 3.32Å; T10-L13 PolarHBondContact O-N 3.4Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 3.48Å; L13-F16 PolarHBondContact O-N 3.29Å; L13-T17 WeakPolarHBondContact O-CG2 3.44Å; L13-T17 PolarHBondContact O-N 3.27Å; L13-T17 PolarHBondContact O-OG1 2.71Å
14	Y	92.1	Very high	87.3	Confident	148 Å²	148	103.9 Å²	103.9	58%	0.58	52%	0.517	S	S	*	.	H	α-helix	trans	-63.7	-43.6	178.2	-179.4	-98.1	0	0	0	112.5	T10 I11 F16 T17 W18	T10-Y14 WeakPolarHBondContact O-CB 3.42Å; T10-Y14 PolarHBondContact O-N 3.28Å; I11-Y14 PolarHBondContact O-N 2.94Å; Y14-F16 VanDerWaalsContact C-N 3.33Å; Y14-F16 PolarHBondContact O-N 2.98Å; Y14-T17 PolarHBondContact O-OG1 2.88Å; Y14-W18 VanDerWaalsContact O-CB 3.31Å; Y14-W18 WeakPolarHBondContact O-CB 3.39Å; Y14-W18 PolarHBondContact O-N 3.41Å
15	V	91.2	Very high	86.8	Confident	70 Å²	70	101.9 Å²	101.9	42%	0.424	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-40.8	176.6	173.4	0	0	0	0	110.6	I11 T12 W18 Q19	I11-V15 HydrophobicContact CG2-CG2 4.45Å; I11-V15 WeakPolarHBondContact O-CG2 3.37Å; I11-V15 PolarHBondContact O-N 3.46Å; T12-V15 PolarHBondContact O-N 2.96Å; V15-W18 PolarHBondContact O-N 2.97Å; V15-Q19 WeakPolarHBondContact O-CG 3.38Å; V15-Q19 PolarHBondContact O-N 2.98Å
16	F	89.7	Confident	86	Confident	137 Å²	137	100.8 Å²	100.8	60%	0.601	51%	0.506	S	S	*	.	H	α-helix	trans	-64.3	-48.6	177.8	-173.7	-98.3	0	0	0	111.8	T12 L13 Y14 W18 Q19 T20	T12-F16 WeakPolarHBondContact O-CB 3.31Å; T12-F16 PolarHBondContact O-N 3.09Å; L13-F16 PolarHBondContact O-N 3.29Å; Y14-F16 VanDerWaalsContact C-N 3.33Å; Y14-F16 PolarHBondContact O-N 2.98Å; F16-W18 VanDerWaalsContact C-N 3.32Å; F16-W18 PolarHBondContact O-N 3.48Å; F16-Q19 PolarHBondContact O-N 3.02Å; F16-T20 HydrophobicContact CD1-CG2 4.18Å; F16-T20 HydrophobicContact CE1-CG2 3.82Å; F16-T20 HydrophobicContact CZ-CG2 4.02Å; F16-T20 WeakPolarHBondContact O-CG2 3.22Å; F16-T20 PolarHBondContact O-N 3.34Å; F16-T20 PolarHBondContact O-OG1 3.26Å
17	T	89.1	Confident	85.1	Confident	66 Å²	66	102.6 Å²	102.6	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-62.1	-41.2	178.2	54.7	0	0	0	0	111.3	L13 Y14 T20 I21	L13-T17 WeakPolarHBondContact O-CG2 3.44Å; L13-T17 PolarHBondContact O-N 3.27Å; L13-T17 PolarHBondContact O-OG1 2.71Å; Y14-T17 PolarHBondContact O-OG1 2.88Å; T17-T20 VanDerWaalsContact CA-OG1 3.31Å; T17-T20 WeakPolarHBondContact CA-OG1 3.39Å; T17-T20 PolarHBondContact O-N 2.95Å; T17-T20 PolarHBondContact O-OG1 3.46Å; T17-I21 VanDerWaalsContact O-CG1 3.3Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 3.43Å
18	W	87.6	Confident	83.9	Confident	135 Å²	135	99.8 Å²	99.8	51%	0.511	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-48.9	175.5	-171.6	-95.6	0	0	0	112.5	Y14 V15 F16 T20 I21 E22	Y14-W18 VanDerWaalsContact O-CB 3.31Å; Y14-W18 WeakPolarHBondContact O-CB 3.39Å; Y14-W18 PolarHBondContact O-N 3.41Å; V15-W18 PolarHBondContact O-N 2.97Å; F16-W18 VanDerWaalsContact C-N 3.32Å; F16-W18 PolarHBondContact O-N 3.48Å; W18-T20 VanDerWaalsContact C-N 3.31Å; W18-T20 PolarHBondContact O-N 2.94Å; W18-I21 PolarHBondContact O-N 2.79Å; W18-E22 PolarHBondContact O-N 3.27Å
19	Q	88.3	Confident	82.6	Confident	132 Å²	132	96.9 Å²	96.9	62%	0.617	50%	0.497	S	S	*	.	H	α-helix	trans	-61.8	-39	176.9	-73.3	-164.3	14.2	0	0	112.3	V15 F16 E22 A23	V15-Q19 WeakPolarHBondContact O-CG 3.38Å; V15-Q19 PolarHBondContact O-N 2.98Å; F16-Q19 PolarHBondContact O-N 3.02Å; Q19-E22 PolarHBondContact O-N 3.15Å; Q19-A23 WeakPolarHBondContact O-CB 3.39Å; Q19-A23 PolarHBondContact O-N 3.5Å
20	T	85.2	Confident	81.4	Confident	52 Å²	52	100 Å²	100	32%	0.319	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-39.5	175.9	56.3	0	0	0	0	112.5	F16 T17 W18 A23 I24	F16-T20 HydrophobicContact CD1-CG2 4.18Å; F16-T20 HydrophobicContact CE1-CG2 3.82Å; F16-T20 HydrophobicContact CZ-CG2 4.02Å; F16-T20 WeakPolarHBondContact O-CG2 3.22Å; F16-T20 PolarHBondContact O-N 3.34Å; F16-T20 PolarHBondContact O-OG1 3.26Å; T17-T20 VanDerWaalsContact CA-OG1 3.31Å; T17-T20 WeakPolarHBondContact CA-OG1 3.39Å; T17-T20 PolarHBondContact O-N 2.95Å; T17-T20 PolarHBondContact O-OG1 3.46Å; W18-T20 VanDerWaalsContact C-N 3.31Å; W18-T20 PolarHBondContact O-N 2.94Å; T20-A23 PolarHBondContact O-N 3.34Å; T20-I24 WeakPolarHBondContact O-CD1 3.4Å; T20-I24 VanDerWaalsContact O-CG1 3.23Å; T20-I24 WeakPolarHBondContact O-CG1 3.23Å; T20-I24 PolarHBondContact O-N 3.01Å
21	I	84.2	Confident	80.2	Confident	92 Å²	92	101 Å²	101	47%	0.472	51%	0.511	S	S	.	.	H	α-helix	trans	-65.6	-45.3	177.5	-69.7	165.2	0	0	0	110.6	T17 W18 A23 I24 K25	T17-I21 VanDerWaalsContact O-CG1 3.3Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 3.43Å; W18-I21 PolarHBondContact O-N 2.79Å; I21-A23 VanDerWaalsContact C-N 3.34Å; I21-A23 PolarHBondContact O-N 3.49Å; I21-I24 PolarHBondContact O-N 2.73Å; I21-K25 VanDerWaalsContact O-CB 3.31Å; I21-K25 WeakPolarHBondContact O-CB 3.13Å; I21-K25 PolarHBondContact O-N 2.95Å
22	E	84.1	Confident	78.8	Confident	74 Å²	74	99.1 Å²	99.1	35%	0.346	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-38.2	178.2	-75.1	-63.3	126.7	0	0	112.2	W18 Q19 K25 T26	W18-E22 PolarHBondContact O-N 3.27Å; Q19-E22 PolarHBondContact O-N 3.15Å; E22-K25 PolarHBondContact O-N 3.21Å; E22-T26 PolarHBondContact O-N 3.41Å; E22-T26 PolarHBondContact O-OG1 2.98Å
23	A	78.6	Confident	77.9	Confident	54 Å²	54	97.2 Å²	97.2	45%	0.446	50%	0.495	S	S	.	.	H	α-helix	trans	-65.4	-38.2	174.2	0	0	0	0	0	112.5	Q19 T20 I21 T26 K27	Q19-A23 WeakPolarHBondContact O-CB 3.39Å; Q19-A23 PolarHBondContact O-N 3.5Å; T20-A23 PolarHBondContact O-N 3.34Å; I21-A23 VanDerWaalsContact C-N 3.34Å; I21-A23 PolarHBondContact O-N 3.49Å; A23-T26 WeakPolarHBondContact CA-OG1 3.31Å; A23-T26 PolarHBondContact O-OG1 3.47Å; A23-K27 PolarHBondContact O-N 3.45Å
24	I	76.2	Confident	77.2	Confident	118 Å²	118	97.7 Å²	97.7	61%	0.605	50%	0.502	S	S	*	.	H	α-helix	trans	-69.6	-43.1	175.6	-69.1	164.7	0	0	0	110.4	T20 I21 K27 S28	T20-I24 WeakPolarHBondContact O-CD1 3.4Å; T20-I24 VanDerWaalsContact O-CG1 3.23Å; T20-I24 WeakPolarHBondContact O-CG1 3.23Å; T20-I24 PolarHBondContact O-N 3.01Å; I21-I24 PolarHBondContact O-N 2.73Å; I24-K27 CarbonylContact O-C 3.52Å; I24-K27 PolarHBondContact O-N 3Å; I24-S28 PolarHBondContact O-N 2.66Å
25	K	73.6	Confident	76.4	Confident	112 Å²	112	93.8 Å²	93.8	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-38.9	-179.1	-173.8	-179.5	178.1	-174	0	112.6	I21 E22 S28 N29	I21-K25 VanDerWaalsContact O-CB 3.31Å; I21-K25 WeakPolarHBondContact O-CB 3.13Å; I21-K25 PolarHBondContact O-N 2.95Å; E22-K25 PolarHBondContact O-N 3.21Å; K25-S28 WeakPolarHBondContact CA-OG 3.31Å; K25-S28 PolarHBondContact O-N 2.76Å; K25-S28 PolarHBondContact O-OG 3.14Å; K25-N29 VanDerWaalsContact O-CG 3.26Å; K25-N29 PolarHBondContact O-N 3.08Å; K25-N29 VanDerWaalsContact O-N 3.08Å; K25-N29 PolarHBondContact O-ND2 3.24Å
26	T	69.9	Low	75.6	Confident	82 Å²	82	94.5 Å²	94.5	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-45.2	173.2	37.7	0	0	0	0	110.9	E22 A23 S28 N29 E30	E22-T26 PolarHBondContact O-N 3.41Å; E22-T26 PolarHBondContact O-OG1 2.98Å; A23-T26 WeakPolarHBondContact CA-OG1 3.31Å; A23-T26 PolarHBondContact O-OG1 3.47Å; T26-S28 PolarHBondContact O-N 2.85Å; T26-N29 PolarHBondContact O-N 3.24Å; T26-E30 PolarHBondContact O-N 3.17Å; T26-E30 VanDerWaalsContact O-N 3.08Å
27	K	68.7	Low	75	Confident	134 Å²	134	91.4 Å²	91.4	58%	0.583	49%	0.485	S	S	*	.	H	α-helix	trans	-63.8	-38	172.9	-77.9	-156	174.5	-168.6	0	113.7	A23 I24 N29 E30 I31	A23-K27 PolarHBondContact O-N 3.45Å; I24-K27 CarbonylContact O-C 3.52Å; I24-K27 PolarHBondContact O-N 3Å; K27-N29 VanDerWaalsContact C-N 3.29Å; K27-N29 PolarHBondContact O-N 3.22Å; K27-E30 PolarHBondContact O-N 3.08Å; K27-E30 VanDerWaalsContact O-N 3.14Å; K27-I31 HydrophobicContact CB-CD1 4.26Å; K27-I31 WeakPolarHBondContact O-CB 3.46Å; K27-I31 WeakPolarHBondContact O-CD1 3.41Å; K27-I31 WeakPolarHBondContact O-CG1 3.3Å; K27-I31 PolarHBondContact O-N 2.95Å
28	S	61.7	Low	74.4	Confident	54 Å²	54	91.1 Å²	91.1	38%	0.378	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-36.8	177.9	65.9	0	0	0	0	111.9	I24 K25 T26 E30 C32	I24-S28 PolarHBondContact O-N 2.66Å; K25-S28 WeakPolarHBondContact CA-OG 3.31Å; K25-S28 PolarHBondContact O-N 2.76Å; K25-S28 PolarHBondContact O-OG 3.14Å; T26-S28 PolarHBondContact O-N 2.85Å; S28-E30 VanDerWaalsContact C-N 3.29Å; S28-C32 PolarHBondContact O-N 2.78Å
29	N	62.2	Low	74	Confident	115 Å²	115	93.4 Å²	93.4	62%	0.615	49%	0.494	S	S	*	.	H	α-helix	trans	-67.7	-31.3	174.1	-69.8	-13.4	0	0	0	112.1	K25 T26 K27	K25-N29 VanDerWaalsContact O-CG 3.26Å; K25-N29 PolarHBondContact O-N 3.08Å; K25-N29 VanDerWaalsContact O-N 3.08Å; K25-N29 PolarHBondContact O-ND2 3.24Å; T26-N29 PolarHBondContact O-N 3.24Å; K27-N29 VanDerWaalsContact C-N 3.29Å; K27-N29 PolarHBondContact O-N 3.22Å
30	E	64.2	Low	73.6	Confident	155 Å²	155	91.7 Å²	91.7	72%	0.724	49%	0.488	S	S	*	.	H	α-helix	trans	-79	-37.7	176.7	-166	176.7	-170.3	0	0	112.6	T26 K27 S28	T26-E30 PolarHBondContact O-N 3.17Å; T26-E30 VanDerWaalsContact O-N 3.08Å; K27-E30 PolarHBondContact O-N 3.08Å; K27-E30 VanDerWaalsContact O-N 3.14Å; S28-E30 VanDerWaalsContact C-N 3.29Å
31	I	64.7	Low	73.5	Confident	109 Å²	109	96.2 Å²	96.2	56%	0.559	50%	0.499	S	S	*	.	H	α-helix	trans	-71	-32.4	-179.1	-68.7	162	0	0	0	111.6	K27 Q36	K27-I31 HydrophobicContact CB-CD1 4.26Å; K27-I31 WeakPolarHBondContact O-CB 3.46Å; K27-I31 WeakPolarHBondContact O-CD1 3.41Å; K27-I31 WeakPolarHBondContact O-CG1 3.3Å; K27-I31 PolarHBondContact O-N 2.95Å; I31-Q36 VanDerWaalsContact O-CD 3.27Å; I31-Q36 PolarHBondContact O-NE2 2.86Å; I31-Q36 PolarHBondContact O-OE1 3.32Å
32	C	62.1	Low	73.2	Confident	55 Å²	55	99.4 Å²	99.4	37%	0.372	51%	0.506	S	S	.	.	S	Bend	trans	-101.2	74.9	176.6	-79.5	0	0	0	0	110	S28 I37	S28-C32 PolarHBondContact O-N 2.78Å; C32-I37 HydrophobicContact CB-CD1 4.03Å; C32-I37 HydrophobicContact CB-CG1 3.86Å
33	S	72.6	Confident	73.1	Confident	44 Å²	44	98.4 Å²	98.4	31%	0.308	51%	0.507	S	S	.	.			trans	-53.1	145.5	166.3	64.1	0	0	0	0	109.6	S35 Q36 I37	S33-S35 PolarHBondContact O-N 2.88Å; S33-S35 PolarHBondContact OG-OG 2.84Å; S33-Q36 WeakPolarHBondContact O-CA 3.45Å; S33-Q36 WeakPolarHBondContact O-CB 3.41Å; S33-Q36 PolarHBondContact O-N 2.98Å; S33-Q36 WeakPolarHBondContact OG-CG 3.27Å; S33-Q36 PolarHBondContact OG-N 2.99Å; S33-Q36 PolarHBondContact OG-OE1 3.2Å; S33-I37 PolarHBondContact O-N 3.4Å
34	T	74.6	Confident	73.3	Confident	113 Å²	113	99.9 Å²	99.9	69%	0.693	51%	0.507	S	S	*	.	H	α-helix	trans	-51.8	-32.4	179.1	-49.6	0	0	0	0	111.6	I37 S38	T34-I37 PolarHBondContact O-N 3.46Å; T34-S38 WeakPolarHBondContact O-CB 3.32Å; T34-S38 PolarHBondContact O-N 3.08Å; T34-S38 PolarHBondContact O-OG 3.21Å; T34-S38 VanDerWaalsContact O-OG 3.09Å
35	S	75.9	Confident	73.5	Confident	67 Å²	67	99.2 Å²	99.2	47%	0.469	50%	0.501	S	S	.	.	H	α-helix	trans	-67.2	-39	175.3	66.2	0	0	0	0	113.3	S33 S38 R39	S33-S35 PolarHBondContact O-N 2.88Å; S33-S35 PolarHBondContact OG-OG 2.84Å; S35-S38 PolarHBondContact O-N 3.35Å; S35-R39 WeakPolarHBondContact O-CB 3.46Å; S35-R39 VanDerWaalsContact O-CG 3.29Å; S35-R39 WeakPolarHBondContact O-CG 3.38Å; S35-R39 PolarHBondContact O-N 3.47Å
36	Q	73.4	Confident	73.9	Confident	84 Å²	84	96.2 Å²	96.2	39%	0.393	49%	0.493	S	S	.	.	H	α-helix	trans	-66.5	-42	171.8	-75.7	162	-64.1	0	0	111.3	I31 S33 S38 R39 I40	I31-Q36 VanDerWaalsContact O-CD 3.27Å; I31-Q36 PolarHBondContact O-NE2 2.86Å; I31-Q36 PolarHBondContact O-OE1 3.32Å; S33-Q36 WeakPolarHBondContact O-CA 3.45Å; S33-Q36 WeakPolarHBondContact O-CB 3.41Å; S33-Q36 PolarHBondContact O-N 2.98Å; S33-Q36 WeakPolarHBondContact OG-CG 3.27Å; S33-Q36 PolarHBondContact OG-N 2.99Å; S33-Q36 PolarHBondContact OG-OE1 3.2Å; Q36-S38 VanDerWaalsContact C-N 3.33Å; Q36-S38 PolarHBondContact O-N 3.44Å; Q36-R39 PolarHBondContact O-N 2.9Å; Q36-I40 VanDerWaalsContact O-CG1 3.27Å; Q36-I40 WeakPolarHBondContact O-CG1 3.44Å; Q36-I40 PolarHBondContact O-N 3.01Å
37	I	77	Confident	74.4	Confident	73 Å²	73	97.9 Å²	97.9	37%	0.374	50%	0.496	S	S	.	.	H	α-helix	trans	-59.6	-46.3	174.9	-62.8	174.8	0	0	0	110.2	C32 S33 T34 R39 I40 R41	C32-I37 HydrophobicContact CB-CD1 4.03Å; C32-I37 HydrophobicContact CB-CG1 3.86Å; S33-I37 PolarHBondContact O-N 3.4Å; T34-I37 PolarHBondContact O-N 3.46Å; I37-R39 VanDerWaalsContact C-N 3.35Å; I37-R39 PolarHBondContact O-N 3.47Å; I37-I40 PolarHBondContact O-N 3.09Å; I37-R41 WeakPolarHBondContact O-CB 3.29Å; I37-R41 PolarHBondContact O-N 2.73Å
38	S	77.4	Confident	74.9	Confident	60 Å²	60	97.2 Å²	97.2	42%	0.42	50%	0.495	S	S	.	.	H	α-helix	trans	-62.1	-39.4	176	-67.9	0	0	0	0	112.5	T34 S35 Q36 R41 Y42	T34-S38 WeakPolarHBondContact O-CB 3.32Å; T34-S38 PolarHBondContact O-N 3.08Å; T34-S38 PolarHBondContact O-OG 3.21Å; T34-S38 VanDerWaalsContact O-OG 3.09Å; S35-S38 PolarHBondContact O-N 3.35Å; Q36-S38 VanDerWaalsContact C-N 3.33Å; Q36-S38 PolarHBondContact O-N 3.44Å; S38-R41 PolarHBondContact O-N 3.45Å; S38-Y42 WeakPolarHBondContact O-CB 3.48Å; S38-Y42 PolarHBondContact O-N 2.92Å
39	R	79.9	Confident	75.7	Confident	183 Å²	183	98.9 Å²	98.9	69%	0.691	50%	0.5	S	S	*	.	H	α-helix	trans	-65.2	-42.2	174.7	-76.8	175.3	-175.7	-172.1	2.4	112.3	S35 Q36 I37 S43	S35-R39 WeakPolarHBondContact O-CB 3.46Å; S35-R39 VanDerWaalsContact O-CG 3.29Å; S35-R39 WeakPolarHBondContact O-CG 3.38Å; S35-R39 PolarHBondContact O-N 3.47Å; Q36-R39 PolarHBondContact O-N 2.9Å; I37-R39 VanDerWaalsContact C-N 3.35Å; I37-R39 PolarHBondContact O-N 3.47Å; R39-S43 WeakPolarHBondContact O-CB 3.42Å; R39-S43 PolarHBondContact O-N 3.47Å; R39-S43 PolarHBondContact O-OG 3.3Å
40	I	79.6	Confident	76.5	Confident	96 Å²	96	97.4 Å²	97.4	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-47.6	176.5	-68.5	165.2	0	0	0	109.4	Q36 I37 Y42 S43 I44	Q36-I40 VanDerWaalsContact O-CG1 3.27Å; Q36-I40 WeakPolarHBondContact O-CG1 3.44Å; Q36-I40 PolarHBondContact O-N 3.01Å; I37-I40 PolarHBondContact O-N 3.09Å; I40-Y42 PolarHBondContact O-N 2.86Å; I40-S43 WeakPolarHBondContact O-CB 3.45Å; I40-S43 PolarHBondContact O-N 3.46Å; I40-S43 VanDerWaalsContact O-N 3.15Å; I40-I44 HydrophobicContact CG2-CD1 3.92Å; I40-I44 WeakPolarHBondContact O-CG1 3.4Å; I40-I44 PolarHBondContact O-N 3.38Å
41	R	82.6	Confident	76.9	Confident	146 Å²	146	92.5 Å²	92.5	55%	0.551	47%	0.469	S	S	*	.	H	α-helix	trans	-57.8	-49.6	176.9	-175.6	-179.8	-63.2	153.4	1.5	111.8	I37 S38 S43 I44 E45	I37-R41 WeakPolarHBondContact O-CB 3.29Å; I37-R41 PolarHBondContact O-N 2.73Å; S38-R41 PolarHBondContact O-N 3.45Å; R41-S43 VanDerWaalsContact C-N 3.25Å; R41-S43 PolarHBondContact O-N 2.93Å; R41-I44 PolarHBondContact O-N 2.87Å; R41-I44 VanDerWaalsContact O-N 3.13Å; R41-E45 WeakPolarHBondContact CG-OE1 3.46Å; R41-E45 WeakPolarHBondContact O-CG 3.36Å; R41-E45 PolarHBondContact O-N 3.15Å
42	Y	78.6	Confident	77.2	Confident	159 Å²	159	90.3 Å²	90.3	62%	0.624	46%	0.464	S	S	*	.	H	α-helix	trans	-59.6	-37.6	177.2	178.1	-102.1	0	0	0	112.4	S38 I40 T46	S38-Y42 WeakPolarHBondContact O-CB 3.48Å; S38-Y42 PolarHBondContact O-N 2.92Å; I40-Y42 PolarHBondContact O-N 2.86Å; Y42-T46 WeakPolarHBondContact O-CB 3.28Å; Y42-T46 PolarHBondContact O-N 3.46Å; Y42-T46 PolarHBondContact O-OG1 2.95Å
43	S	82.4	Confident	77.7	Confident	53 Å²	53	94 Å²	94	37%	0.371	48%	0.476	S	S	.	.	H	α-helix	trans	-66.6	-40.5	176.6	-56.4	0	0	0	0	111.6	R39 I40 R41 T46 M47	R39-S43 WeakPolarHBondContact O-CB 3.42Å; R39-S43 PolarHBondContact O-N 3.47Å; R39-S43 PolarHBondContact O-OG 3.3Å; I40-S43 WeakPolarHBondContact O-CB 3.45Å; I40-S43 PolarHBondContact O-N 3.46Å; I40-S43 VanDerWaalsContact O-N 3.15Å; R41-S43 VanDerWaalsContact C-N 3.25Å; R41-S43 PolarHBondContact O-N 2.93Å; S43-T46 PolarHBondContact O-N 3.03Å; S43-M47 VanDerWaalsContact O-CG 3.28Å; S43-M47 WeakPolarHBondContact O-CG 3.42Å; S43-M47 PolarHBondContact O-N 3.32Å
44	I	81.8	Confident	77.5	Confident	86 Å²	86	94.5 Å²	94.5	44%	0.441	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-50.2	175	-67.1	167.3	0	0	0	110.3	I40 R41 T46 M47 E48	I40-I44 HydrophobicContact CG2-CD1 3.92Å; I40-I44 WeakPolarHBondContact O-CG1 3.4Å; I40-I44 PolarHBondContact O-N 3.38Å; R41-I44 PolarHBondContact O-N 2.87Å; R41-I44 VanDerWaalsContact O-N 3.13Å; I44-T46 VanDerWaalsContact C-N 3.26Å; I44-T46 PolarHBondContact O-N 2.78Å; I44-M47 PolarHBondContact O-N 2.92Å; I44-M47 VanDerWaalsContact O-N 3.12Å; I44-E48 HydrophobicContact CG2-CG 4.31Å; I44-E48 WeakPolarHBondContact O-CG 3.42Å; I44-E48 PolarHBondContact O-N 2.94Å
45	E	80.4	Confident	76.7	Confident	103 Å²	103	95.3 Å²	95.3	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-58.5	-39.4	178.3	-71.8	170.8	-172.4	0	0	111.8	R41 N49	R41-E45 WeakPolarHBondContact CG-OE1 3.46Å; R41-E45 WeakPolarHBondContact O-CG 3.36Å; R41-E45 PolarHBondContact O-N 3.15Å; E45-N49 WeakPolarHBondContact O-CB 3.29Å; E45-N49 PolarHBondContact O-N 2.83Å
46	T	82.5	Confident	75.7	Confident	50 Å²	50	100.1 Å²	100.1	31%	0.307	50%	0.495	S	S	.	.	H	α-helix	trans	-66.7	-44.6	176.3	-58.4	0	0	0	0	111.4	Y42 S43 I44 N49 I50	Y42-T46 WeakPolarHBondContact O-CB 3.28Å; Y42-T46 PolarHBondContact O-N 3.46Å; Y42-T46 PolarHBondContact O-OG1 2.95Å; S43-T46 PolarHBondContact O-N 3.03Å; I44-T46 VanDerWaalsContact C-N 3.26Å; I44-T46 PolarHBondContact O-N 2.78Å; T46-N49 PolarHBondContact O-N 2.7Å; T46-I50 HydrophobicContact CG2-CD1 3.98Å; T46-I50 VanDerWaalsContact O-CG1 3.29Å; T46-I50 WeakPolarHBondContact O-CG1 3.33Å; T46-I50 PolarHBondContact O-N 3.03Å
47	M	80.9	Confident	74.6	Confident	116 Å²	116	99.6 Å²	99.6	57%	0.571	51%	0.512	S	S	*	.	H	α-helix	trans	-60.2	-51.7	175.1	-72.2	178.5	-144.4	0	0	110.1	S43 I44 N49 I50 L51	S43-M47 VanDerWaalsContact O-CG 3.28Å; S43-M47 WeakPolarHBondContact O-CG 3.42Å; S43-M47 PolarHBondContact O-N 3.32Å; I44-M47 PolarHBondContact O-N 2.92Å; I44-M47 VanDerWaalsContact O-N 3.12Å; M47-N49 VanDerWaalsContact C-N 3.27Å; M47-N49 PolarHBondContact O-N 3.46Å; M47-I50 PolarHBondContact O-N 3.4Å; M47-L51 VanDerWaalsContact O-CG 3.23Å; M47-L51 WeakPolarHBondContact O-CG 3.23Å; M47-L51 PolarHBondContact O-N 3.46Å
48	E	79.3	Confident	73.4	Confident	121 Å²	121	100.1 Å²	100.1	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-55.2	-41.1	178.1	-72.5	178.5	160	0	0	112.5	I44 L51 S52	I44-E48 HydrophobicContact CG2-CG 4.31Å; I44-E48 WeakPolarHBondContact O-CG 3.42Å; I44-E48 PolarHBondContact O-N 2.94Å; E48-L51 PolarHBondContact O-N 3.13Å; E48-S52 PolarHBondContact O-N 2.94Å; E48-S52 PolarHBondContact O-OG 3.12Å
49	N	77.9	Confident	72	Confident	88 Å²	88	99.7 Å²	99.7	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-68.8	-35.8	175.7	-177.9	57.8	0	0	0	113.5	E45 T46 M47 L51 S52 Q53	E45-N49 WeakPolarHBondContact O-CB 3.29Å; E45-N49 PolarHBondContact O-N 2.83Å; T46-N49 PolarHBondContact O-N 2.7Å; M47-N49 VanDerWaalsContact C-N 3.27Å; M47-N49 PolarHBondContact O-N 3.46Å; N49-L51 VanDerWaalsContact C-N 3.34Å; N49-S52 PolarHBondContact O-OG 3.32Å; N49-Q53 PolarHBondContact ND2-NE2 2.95Å; N49-Q53 VanDerWaalsContact O-CG 3.26Å; N49-Q53 WeakPolarHBondContact O-CG 3.44Å; N49-Q53 PolarHBondContact O-N 3.3Å
50	I	79.1	Confident	70.5	Confident	85 Å²	85	93.7 Å²	93.7	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-67	-41.7	172.1	-68.6	164.8	0	0	0	109.6	T46 M47 Q53 C54	T46-I50 HydrophobicContact CG2-CD1 3.98Å; T46-I50 VanDerWaalsContact O-CG1 3.29Å; T46-I50 WeakPolarHBondContact O-CG1 3.33Å; T46-I50 PolarHBondContact O-N 3.03Å; M47-I50 PolarHBondContact O-N 3.4Å; I50-Q53 WeakPolarHBondContact O-CB 3.26Å; I50-Q53 PolarHBondContact O-N 2.96Å; I50-C54 PolarHBondContact O-N 3.26Å; I50-C54 PolarHBondContact O-SG 3.49Å
51	L	71.6	Confident	69	Low	51 Å²	51	91.6 Å²	91.6	27%	0.267	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-43.7	-179.6	-66.6	-173.8	0	0	0	112.2	M47 E48 N49 Q53 C54 E55 F59	M47-L51 VanDerWaalsContact O-CG 3.23Å; M47-L51 WeakPolarHBondContact O-CG 3.23Å; M47-L51 PolarHBondContact O-N 3.46Å; E48-L51 PolarHBondContact O-N 3.13Å; N49-L51 VanDerWaalsContact C-N 3.34Å; L51-Q53 PolarHBondContact O-N 3.26Å; L51-C54 CarbonylContact O-C 3.57Å; L51-C54 WeakPolarHBondContact O-CA 3.47Å; L51-C54 PolarHBondContact O-N 2.97Å; L51-E55 PolarHBondContact O-N 2.92Å; L51-F59 HydrophobicContact CB-CD1 4.34Å; L51-F59 HydrophobicContact CB-CE1 4.37Å; L51-F59 HydrophobicContact CD1-CD1 4.24Å; L51-F59 HydrophobicContact CD1-CE1 3.46Å; L51-F59 VanDerWaalsContact CD1-CE1 3.46Å; L51-F59 HydrophobicContact CD1-CZ 3.63Å; L51-F59 HydrophobicContact CD2-CD1 3.68Å; L51-F59 HydrophobicContact CD2-CD2 3.44Å; L51-F59 VanDerWaalsContact CD2-CD2 3.44Å; L51-F59 HydrophobicContact CD2-CE1 3.38Å; L51-F59 HydrophobicContact CD2-CE2 3.14Å; L51-F59 HydrophobicContact CD2-CG 3.68Å; L51-F59 HydrophobicContact CD2-CZ 3.07Å; L51-F59 HydrophobicContact CG-CD1 4.26Å; L51-F59 HydrophobicContact CG-CE1 3.87Å; L51-F59 HydrophobicContact CG-CE2 4.39Å; L51-F59 HydrophobicContact CG-CZ 3.91Å
52	S	71.3	Confident	67.2	Low	64 Å²	64	87.7 Å²	87.7	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-32.1	175.3	66.8	0	0	0	0	112.3	E48 N49 C54	E48-S52 PolarHBondContact O-N 2.94Å; E48-S52 PolarHBondContact O-OG 3.12Å; N49-S52 PolarHBondContact O-OG 3.32Å; S52-C54 VanDerWaalsContact C-N 3.34Å
53	Q	72.2	Confident	65.7	Low	132 Å²	132	86.5 Å²	86.5	62%	0.617	50%	0.504	S	S	*	.	H	α-helix	trans	-73.5	-25.3	171.9	-67.6	172.2	21.7	0	0	113.1	N49 I50 L51	N49-Q53 PolarHBondContact ND2-NE2 2.95Å; N49-Q53 VanDerWaalsContact O-CG 3.26Å; N49-Q53 WeakPolarHBondContact O-CG 3.44Å; N49-Q53 PolarHBondContact O-N 3.3Å; I50-Q53 WeakPolarHBondContact O-CB 3.26Å; I50-Q53 PolarHBondContact O-N 2.96Å; L51-Q53 PolarHBondContact O-N 3.26Å
54	C	68.5	Low	64.1	Low	54 Å²	54	87.9 Å²	87.9	37%	0.365	52%	0.518	S	S	.	.	H	α-helix	trans	-88	-14.9	177.6	-68.2	0	0	0	0	113.8	I50 L51 S52 D56 G57 A58 F59	I50-C54 PolarHBondContact O-N 3.26Å; I50-C54 PolarHBondContact O-SG 3.49Å; L51-C54 CarbonylContact O-C 3.57Å; L51-C54 WeakPolarHBondContact O-CA 3.47Å; L51-C54 PolarHBondContact O-N 2.97Å; S52-C54 VanDerWaalsContact C-N 3.34Å; C54-D56 PolarHBondContact O-N 3.18Å; C54-G57 PolarHBondContact O-N 2.82Å; C54-G57 VanDerWaalsContact O-N 3.09Å; C54-A58 PolarHBondContact O-N 3.34Å; C54-F59 HydrophobicContact CB-CB 3.95Å; C54-F59 PolarHBondContact O-N 3.1Å
55	E	57.5	Low	62.7	Low	131 Å²	131	92.4 Å²	92.4	61%	0.612	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.5	-178.7	-91.1	-173.5	158.7	0	0	113.6	L51 G57	L51-E55 PolarHBondContact O-N 2.92Å; E55-G57 PolarHBondContact O-N 3.08Å
56	D	55.2	Low	61.1	Low	167 Å²	167	95 Å²	95	89%	0.893	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-6	172.7	-77.6	-26.7	0	0	0	113.9	C54	C54-D56 PolarHBondContact O-N 3.18Å
57	G	51.7	Low	59.6	Low	73 Å²	73	95.1 Å²	95.1	75%	0.753	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.4	-23.8	-176.6	0	0	0	0	0	120.2	C54 E55	C54-G57 PolarHBondContact O-N 2.82Å; C54-G57 VanDerWaalsContact O-N 3.09Å; E55-G57 PolarHBondContact O-N 3.08Å
58	A	51.4	Low	58.5	Low	84 Å²	84	96.5 Å²	96.5	69%	0.694	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152	-19.8	-171.2	0	0	0	0	0	117.3	C54	C54-A58 PolarHBondContact O-N 3.34Å
59	F	47.9	Very low	57.2	Low	52 Å²	52	97.7 Å²	97.7	23%	0.228	58%	0.575	C	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	-21.7	-171.3	-154.9	-105.1	0	0	0	114.8	L51 C54 G61 Y63	L51-F59 HydrophobicContact CB-CD1 4.34Å; L51-F59 HydrophobicContact CB-CE1 4.37Å; L51-F59 HydrophobicContact CD1-CD1 4.24Å; L51-F59 HydrophobicContact CD1-CE1 3.46Å; L51-F59 VanDerWaalsContact CD1-CE1 3.46Å; L51-F59 HydrophobicContact CD1-CZ 3.63Å; L51-F59 HydrophobicContact CD2-CD1 3.68Å; L51-F59 HydrophobicContact CD2-CD2 3.44Å; L51-F59 VanDerWaalsContact CD2-CD2 3.44Å; L51-F59 HydrophobicContact CD2-CE1 3.38Å; L51-F59 HydrophobicContact CD2-CE2 3.14Å; L51-F59 HydrophobicContact CD2-CG 3.68Å; L51-F59 HydrophobicContact CD2-CZ 3.07Å; L51-F59 HydrophobicContact CG-CD1 4.26Å; L51-F59 HydrophobicContact CG-CE1 3.87Å; L51-F59 HydrophobicContact CG-CE2 4.39Å; L51-F59 HydrophobicContact CG-CZ 3.91Å; C54-F59 HydrophobicContact CB-CB 3.95Å; C54-F59 PolarHBondContact O-N 3.1Å; F59-G61 PolarHBondContact O-N 3.23Å; F59-G61 VanDerWaalsContact O-N 3.08Å; F59-Y63 AromaticContact CD1-CD2 3.93Å; F59-Y63 HydrophobicContact CD1-CD2 3.93Å; F59-Y63 HydrophobicContact CD1-CG 4.26Å; F59-Y63 HydrophobicContact CE1-CD1 4.15Å; F59-Y63 AromaticContact CE1-CD2 3.11Å; F59-Y63 HydrophobicContact CE1-CD2 3.11Å; F59-Y63 HydrophobicContact CE1-CE1 4.46Å; F59-Y63 AromaticContact CE1-CE2 3.54Å; F59-Y63 HydrophobicContact CE1-CE2 3.54Å; F59-Y63 AromaticContact CE1-CG 3.46Å; F59-Y63 HydrophobicContact CE1-CG 3.46Å; F59-Y63 VanDerWaalsContact CE1-CG 3.46Å; F59-Y63 AromaticContact CE2-CD2 3.86Å; F59-Y63 HydrophobicContact CE2-CD2 3.86Å; F59-Y63 AromaticContact CE2-CE2 3.72Å; F59-Y63 HydrophobicContact CE2-CE2 3.72Å; F59-Y63 HydrophobicContact CZ-CD1 4.47Å; F59-Y63 AromaticContact CZ-CD2 3.09Å; F59-Y63 HydrophobicContact CZ-CD2 3.09Å; F59-Y63 HydrophobicContact CZ-CE1 4.38Å; F59-Y63 AromaticContact CZ-CE2 2.98Å; F59-Y63 HydrophobicContact CZ-CE2 2.98Å; F59-Y63 AromaticContact CZ-CG 3.88Å; F59-Y63 HydrophobicContact CZ-CG 3.88Å; F59-Y63 AromaticContact CZ-CZ 3.67Å
60	A	48.3	Very low	55.9	Low	57 Å²	57	95.6 Å²	95.6	47%	0.471	57%	0.566	S	S	.	*	H	α-helix	trans	-61.3	-18	175.5	0	0	0	0	0	113.5	A62 A64	A60-A62 PolarHBondContact O-N 3.32Å; A60-A64 HydrophobicContact CB-CB 4.31Å; A60-A64 WeakPolarHBondContact O-CB 3.05Å; A60-A64 PolarHBondContact O-N 2.97Å
61	G	47.8	Very low	54.5	Low	52 Å²	52	97.1 Å²	97.1	54%	0.536	57%	0.574	S	S	.	*	H	α-helix	trans	-67.6	-37.6	-176	0	0	0	0	0	115	F59	F59-G61 PolarHBondContact O-N 3.23Å; F59-G61 VanDerWaalsContact O-N 3.08Å
62	A	45.8	Very low	53.9	Low	64 Å²	64	104.3 Å²	104.3	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-105	-35	-173.5	0	0	0	0	0	113.4	A60	A60-A62 PolarHBondContact O-N 3.32Å
63	Y	45.8	Very low	52.8	Low	133 Å²	133	104 Å²	104	52%	0.522	59%	0.594	S	S	.	*	H	α-helix	trans	-92.1	-33.7	-177.8	-76.9	-99.7	0	0	0	113.1	F59 K65 R66	F59-Y63 AromaticContact CD1-CD2 3.93Å; F59-Y63 HydrophobicContact CD1-CD2 3.93Å; F59-Y63 HydrophobicContact CD1-CG 4.26Å; F59-Y63 HydrophobicContact CE1-CD1 4.15Å; F59-Y63 AromaticContact CE1-CD2 3.11Å; F59-Y63 HydrophobicContact CE1-CD2 3.11Å; F59-Y63 HydrophobicContact CE1-CE1 4.46Å; F59-Y63 AromaticContact CE1-CE2 3.54Å; F59-Y63 HydrophobicContact CE1-CE2 3.54Å; F59-Y63 AromaticContact CE1-CG 3.46Å; F59-Y63 HydrophobicContact CE1-CG 3.46Å; F59-Y63 VanDerWaalsContact CE1-CG 3.46Å; F59-Y63 AromaticContact CE2-CD2 3.86Å; F59-Y63 HydrophobicContact CE2-CD2 3.86Å; F59-Y63 AromaticContact CE2-CE2 3.72Å; F59-Y63 HydrophobicContact CE2-CE2 3.72Å; F59-Y63 HydrophobicContact CZ-CD1 4.47Å; F59-Y63 AromaticContact CZ-CD2 3.09Å; F59-Y63 HydrophobicContact CZ-CD2 3.09Å; F59-Y63 HydrophobicContact CZ-CE1 4.38Å; F59-Y63 AromaticContact CZ-CE2 2.98Å; F59-Y63 HydrophobicContact CZ-CE2 2.98Å; F59-Y63 AromaticContact CZ-CG 3.88Å; F59-Y63 HydrophobicContact CZ-CG 3.88Å; F59-Y63 AromaticContact CZ-CZ 3.67Å; Y63-K65 PolarHBondContact O-N 2.94Å; Y63-R66 PolarHBondContact O-N 3.3Å; Y63-R66 VanDerWaalsContact O-N 3.1Å; Y63-R66 VanDerWaalsContact O-O 3.07Å
64	A	49.5	Very low	51.8	Low	82 Å²	82	101.2 Å²	101.2	68%	0.678	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-20	176.5	0	0	0	0	0	112.8	A60	A60-A64 HydrophobicContact CB-CB 4.31Å; A60-A64 WeakPolarHBondContact O-CB 3.05Å; A60-A64 PolarHBondContact O-N 2.97Å
65	K	51.4	Low	50.8	Low	182 Å²	182	107.5 Å²	107.5	79%	0.791	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-15.9	173.8	-71.5	-166.2	178.9	-176.1	0	113.8	Y63	Y63-K65 PolarHBondContact O-N 2.94Å
66	R	46.8	Very low	50.3	Low	156 Å²	156	106.8 Å²	106.8	59%	0.589	61%	0.614	S	S	*	*	S	Bend	trans	-98.7	113.5	176	-83.9	179.7	-167.9	178.2	4.6	107.9	Y63	Y63-R66 PolarHBondContact O-N 3.3Å; Y63-R66 VanDerWaalsContact O-N 3.1Å; Y63-R66 VanDerWaalsContact O-O 3.07Å
67	G	52.5	Low	49.7	Very low	53 Å²	53	111.2 Å²	111.2	55%	0.546	63%	0.625	S	S	.	*			trans	-56	178.6	166	0	0	0	0	0	111.4	E69	G67-E69 PolarHBondContact O-N 3.34Å
68	P	57.1	Low	49.6	Very low	145 Å²	145	113.2 Å²	113.2	94%	0.942	62%	0.619	S	S	*	*	S	Bend	trans	-69.4	29.4	-170	30.3	-37.3	0	0	0	115.1
69	E	51.2	Low	49.5	Very low	146 Å²	146	114.7 Å²	114.7	68%	0.682	62%	0.615	S	S	*	*			trans	-78.4	127.6	173.1	-92	-171.6	154.9	0	0	111.2	G67	G67-E69 PolarHBondContact O-N 3.34Å
70	P	50.7	Low	49.6	Very low	45 Å²	45	118.2 Å²	118.2	29%	0.292	64%	0.637	S	S	.	*			trans	-71.8	144.7	179.6	26	-31	0	0	0	112.6	W72 V73	P70-W72 HydrophobicContact CB-CD2 3.7Å; P70-W72 HydrophobicContact CB-CE3 3.57Å; P70-W72 HydrophobicContact CB-CH2 3.26Å; P70-W72 HydrophobicContact CB-CZ2 3.4Å; P70-W72 HydrophobicContact CB-CZ3 3.35Å; P70-W72 HydrophobicContact CG-CD2 4.02Å; P70-W72 VanDerWaalsContact CG-CE2 3.42Å; P70-W72 HydrophobicContact CG-CE3 4.35Å; P70-W72 HydrophobicContact CG-CH2 3.61Å; P70-W72 HydrophobicContact CG-CZ2 3.2Å; P70-W72 HydrophobicContact CG-CZ3 4.17Å; P70-W72 PolarHBondContact O-N 2.95Å; P70-V73 HydrophobicContact CG-CG2 4.15Å; P70-V73 PolarHBondContact O-N 3.36Å; P70-V73 VanDerWaalsContact O-N 3.08Å
71	L	51.3	Low	49.7	Very low	116 Å²	116	121.8 Å²	121.8	61%	0.607	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-52.7	-28.5	-174.2	-80.8	152.6	0	0	0	115	V73 V74	L71-V73 PolarHBondContact O-N 3Å; L71-V74 PolarHBondContact O-N 3.09Å
72	W	59.1	Low	49.8	Very low	203 Å²	203	126.1 Å²	126.1	77%	0.769	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-70.7	-9.6	-179.1	64	77.8	0	0	0	114.2	P70	P70-W72 HydrophobicContact CB-CD2 3.7Å; P70-W72 HydrophobicContact CB-CE3 3.57Å; P70-W72 HydrophobicContact CB-CH2 3.26Å; P70-W72 HydrophobicContact CB-CZ2 3.4Å; P70-W72 HydrophobicContact CB-CZ3 3.35Å; P70-W72 HydrophobicContact CG-CD2 4.02Å; P70-W72 VanDerWaalsContact CG-CE2 3.42Å; P70-W72 HydrophobicContact CG-CE3 4.35Å; P70-W72 HydrophobicContact CG-CH2 3.61Å; P70-W72 HydrophobicContact CG-CZ2 3.2Å; P70-W72 HydrophobicContact CG-CZ3 4.17Å; P70-W72 PolarHBondContact O-N 2.95Å
73	V	48.3	Very low	50.1	Low	58 Å²	58	130.3 Å²	130.3	35%	0.352	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-86.3	-19.6	178.2	-175.8	0	0	0	0	111.8	P70 L71 T76	P70-V73 HydrophobicContact CG-CG2 4.15Å; P70-V73 PolarHBondContact O-N 3.36Å; P70-V73 VanDerWaalsContact O-N 3.08Å; L71-V73 PolarHBondContact O-N 3Å; V73-T76 PolarHBondContact O-OG1 3.25Å
74	V	50.4	Low	50.4	Low	73 Å²	73	130.1 Å²	130.1	44%	0.442	67%	0.672	S	S	.	*	G	3₁₀ helix	trans	-82.8	-23.1	-171.4	-174.3	0	0	0	0	113.2	L71 T76	L71-V74 PolarHBondContact O-N 3.09Å; V74-T76 VanDerWaalsContact C-N 3.32Å; V74-T76 PolarHBondContact O-N 3.3Å
75	E	46.9	Very low	50.4	Low	185 Å²	185	133.8 Å²	133.8	86%	0.864	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-83.9	-0.6	-179.7	-73.2	-172	164.4	0	0	114.6
76	T	47.3	Very low	50.4	Low	116 Å²	116	129.8 Å²	129.8	71%	0.712	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-105.6	25	-179.2	59.6	0	0	0	0	114.7	V73 V74	V73-T76 PolarHBondContact O-OG1 3.25Å; V74-T76 VanDerWaalsContact C-N 3.32Å; V74-T76 PolarHBondContact O-N 3.3Å
77	K	42.8	Very low	50.7	Low	261 Å²	261	127.4 Å²	127.4	100%	1.135	67%	0.668	S	S	*	*			trans	-130.5	0	167.6	-74.6	-173.7	179.6	174	0	110.7

Retrieved 77 of 77 residues in 114.5 ms (Link to these results)

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