A0A077Z3M0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z3M0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.3	Low	72.9	Confident	246 Å²	246	136.4 Å²	136.4	100%	1.212	65%	0.653	S	S	*	*				0	122.5	0	-80	177.2	157.5	0	0	109.3
2	V	58.9	Low	73.6	Confident	95 Å²	95	136.6 Å²	136.6	58%	0.576	65%	0.649	S	S	*	*			trans	-78.8	126.6	176	-177	0	0	0	0	108.2	K4 K6 F7	V2-K4 PolarHBondContact O-N 3.15Å; V2-K6 HydrophobicContact CG1-CB 3.81Å; V2-F7 HydrophobicContact CG1-CB 4.4Å
3	S	75.8	Confident	73.8	Confident	72 Å²	72	131.5 Å²	131.5	50%	0.503	63%	0.625	S	S	.	*			trans	-53.6	137	175.4	158.4	0	0	0	0	110.7	R5 K6 F7	S3-R5 PolarHBondContact O-N 3.35Å; S3-R5 PolarHBondContact OG-N 3.28Å; S3-K6 WeakPolarHBondContact O-CA 3.44Å; S3-K6 WeakPolarHBondContact O-CB 3.34Å; S3-K6 PolarHBondContact O-N 3.33Å; S3-F7 PolarHBondContact O-N 3.13Å
4	K	77.4	Confident	73.9	Confident	195 Å²	195	125.3 Å²	125.3	85%	0.848	61%	0.607	S	S	*	*	H	α-helix	trans	-50.4	-34.5	178.2	-72	-175.8	177.8	-180	0	112.6	V2 S8	V2-K4 PolarHBondContact O-N 3.15Å; K4-S8 WeakPolarHBondContact O-CB 3.26Å; K4-S8 PolarHBondContact O-N 2.74Å
5	R	72.2	Confident	74	Confident	219 Å²	219	120.7 Å²	120.7	83%	0.826	60%	0.597	S	S	*	*	H	α-helix	trans	-68.5	-39.3	176	-67.8	-173.8	-171.5	176.9	3.1	112.5	S3 S8 Y9	S3-R5 PolarHBondContact O-N 3.35Å; S3-R5 PolarHBondContact OG-N 3.28Å; R5-S8 PolarHBondContact O-N 2.64Å; R5-Y9 PolarHBondContact O-N 3.19Å
6	K	73.4	Confident	74	Confident	145 Å²	145	120.9 Å²	120.9	63%	0.63	60%	0.596	S	S	*	*	H	α-helix	trans	-70.9	-37.5	179.8	-142.3	177.7	-172	-178.4	0	110.9	V2 S3 Y9 L10	V2-K6 HydrophobicContact CG1-CB 3.81Å; S3-K6 WeakPolarHBondContact O-CA 3.44Å; S3-K6 WeakPolarHBondContact O-CB 3.34Å; S3-K6 PolarHBondContact O-N 3.33Å; K6-Y9 PolarHBondContact O-N 3.49Å; K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.41Å; K6-L10 PolarHBondContact O-N 2.93Å; K6-L10 VanDerWaalsContact O-N 3.1Å
7	F	74.3	Confident	73.7	Confident	129 Å²	129	123.7 Å²	123.7	57%	0.566	60%	0.599	S	S	*	*	H	α-helix	trans	-64.9	-44.8	172.3	-170	-94.9	0	0	0	112	V2 S3 Y9 L10 N11	V2-F7 HydrophobicContact CG1-CB 4.4Å; S3-F7 PolarHBondContact O-N 3.13Å; F7-Y9 VanDerWaalsContact C-N 3.32Å; F7-Y9 PolarHBondContact O-N 2.84Å; F7-L10 PolarHBondContact O-N 3.26Å; F7-N11 WeakPolarHBondContact O-CB 3.5Å; F7-N11 PolarHBondContact O-N 3.12Å
8	S	78.3	Confident	73.4	Confident	65 Å²	65	124.6 Å²	124.6	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-58.6	-42.2	175.5	168.8	0	0	0	0	112.8	K4 R5 N11 K12	K4-S8 WeakPolarHBondContact O-CB 3.26Å; K4-S8 PolarHBondContact O-N 2.74Å; R5-S8 PolarHBondContact O-N 2.64Å; S8-N11 PolarHBondContact O-N 3.26Å; S8-K12 PolarHBondContact O-N 2.86Å
9	Y	79.9	Confident	73.2	Confident	143 Å²	143	126.5 Å²	126.5	56%	0.561	60%	0.603	S	S	*	*	H	α-helix	trans	-65.2	-45.3	178.4	-177.7	-96.9	0	0	0	112	R5 K6 F7 N11 K12 Q13	R5-Y9 PolarHBondContact O-N 3.19Å; K6-Y9 PolarHBondContact O-N 3.49Å; F7-Y9 VanDerWaalsContact C-N 3.32Å; F7-Y9 PolarHBondContact O-N 2.84Å; Y9-N11 VanDerWaalsContact C-N 3.32Å; Y9-N11 PolarHBondContact O-N 3.31Å; Y9-K12 PolarHBondContact O-N 2.97Å; Y9-Q13 HydrophobicContact CE1-CG 4.17Å; Y9-Q13 PolarHBondContact O-N 3.48Å; Y9-Q13 PolarHBondContact OH-NE2 3.16Å; Y9-Q13 VanDerWaalsContact OH-NE2 3.08Å
10	L	75.1	Confident	72.6	Confident	94 Å²	94	125.3 Å²	125.3	49%	0.492	60%	0.6	S	S	.	*	H	α-helix	trans	-64	-37.2	177.3	-69.8	169.7	0	0	0	112	K6 F7 Q13 A14	K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.41Å; K6-L10 PolarHBondContact O-N 2.93Å; K6-L10 VanDerWaalsContact O-N 3.1Å; F7-L10 PolarHBondContact O-N 3.26Å; L10-Q13 PolarHBondContact O-N 3.1Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.37Å
11	N	76.3	Confident	72.1	Confident	97 Å²	97	123.2 Å²	123.2	52%	0.519	60%	0.595	S	S	.	*	H	α-helix	trans	-67.3	-37.2	175.8	-119.2	16.1	0	0	0	112.6	F7 S8 Y9 A14 A15	F7-N11 WeakPolarHBondContact O-CB 3.5Å; F7-N11 PolarHBondContact O-N 3.12Å; S8-N11 PolarHBondContact O-N 3.26Å; Y9-N11 VanDerWaalsContact C-N 3.32Å; Y9-N11 PolarHBondContact O-N 3.31Å; N11-A14 PolarHBondContact O-N 3.03Å; N11-A15 PolarHBondContact O-N 2.95Å
12	K	81	Confident	72.1	Confident	139 Å²	139	118 Å²	118	60%	0.604	57%	0.568	S	S	*	*	H	α-helix	trans	-62.5	-46.2	172.9	-86.9	-170.7	173.4	-171.9	0	111.5	S8 Y9 A14 A15 E16	S8-K12 PolarHBondContact O-N 2.86Å; Y9-K12 PolarHBondContact O-N 2.97Å; K12-A14 PolarHBondContact O-N 2.96Å; K12-A15 PolarHBondContact O-N 3.37Å; K12-E16 WeakPolarHBondContact O-CG 3.21Å; K12-E16 PolarHBondContact O-N 3.22Å
13	Q	76.2	Confident	72.2	Confident	70 Å²	70	118 Å²	118	33%	0.327	57%	0.567	S	S	.	*	H	α-helix	trans	-61.8	-43.6	176.3	-76	-163.5	-19.2	0	0	111.9	Y9 L10 A15 E16 W17	Y9-Q13 HydrophobicContact CE1-CG 4.17Å; Y9-Q13 PolarHBondContact O-N 3.48Å; Y9-Q13 PolarHBondContact OH-NE2 3.16Å; Y9-Q13 VanDerWaalsContact OH-NE2 3.08Å; L10-Q13 PolarHBondContact O-N 3.1Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 2.94Å; Q13-E16 PolarHBondContact O-N 3.29Å; Q13-W17 PolarHBondContact O-N 2.78Å
14	A	74.9	Confident	71.3	Confident	45 Å²	45	119.2 Å²	119.2	37%	0.372	57%	0.572	S	S	.	*	H	α-helix	trans	-59.8	-43.1	178.5	0	0	0	0	0	112.3	L10 N11 K12 W17 E18	L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.37Å; N11-A14 PolarHBondContact O-N 3.03Å; K12-A14 PolarHBondContact O-N 2.96Å; A14-W17 PolarHBondContact O-N 3.01Å; A14-E18 PolarHBondContact O-N 3.18Å
15	A	76	Confident	70.6	Confident	57 Å²	57	113.6 Å²	113.6	47%	0.471	56%	0.557	S	S	.	*	H	α-helix	trans	-65.7	-39.1	176.1	0	0	0	0	0	112.7	N11 K12 Q13 W17 E18 Y19	N11-A15 PolarHBondContact O-N 2.95Å; K12-A15 PolarHBondContact O-N 3.37Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 2.94Å; A15-W17 VanDerWaalsContact C-N 3.34Å; A15-E18 PolarHBondContact O-N 3.38Å; A15-Y19 WeakPolarHBondContact O-CB 3.36Å; A15-Y19 PolarHBondContact O-N 2.81Å
16	E	74.7	Confident	69.9	Low	124 Å²	124	113.1 Å²	113.1	58%	0.579	56%	0.555	S	S	*	*	H	α-helix	trans	-63.2	-40.8	174	-73.8	170.4	-174.6	0	0	111.5	K12 Q13 Y19 L20	K12-E16 WeakPolarHBondContact O-CG 3.21Å; K12-E16 PolarHBondContact O-N 3.22Å; Q13-E16 PolarHBondContact O-N 3.29Å; E16-Y19 PolarHBondContact O-N 3.19Å; E16-L20 WeakPolarHBondContact O-CB 3.38Å; E16-L20 PolarHBondContact O-N 3.32Å
17	W	68.4	Low	69.1	Low	168 Å²	168	110.7 Å²	110.7	64%	0.636	55%	0.554	S	S	*	*	H	α-helix	trans	-66.9	-43.3	175.7	-82.6	107.4	0	0	0	112.7	Q13 A14 A15 Y19 L20 V21	Q13-W17 PolarHBondContact O-N 2.78Å; A14-W17 PolarHBondContact O-N 3.01Å; A15-W17 VanDerWaalsContact C-N 3.34Å; W17-Y19 VanDerWaalsContact C-N 3.32Å; W17-Y19 PolarHBondContact O-N 3.15Å; W17-L20 PolarHBondContact O-N 3.09Å; W17-V21 VanDerWaalsContact O-CG2 3.31Å; W17-V21 WeakPolarHBondContact O-CG2 3.12Å; W17-V21 PolarHBondContact O-N 3.15Å
18	E	69.1	Low	68.5	Low	139 Å²	139	108.8 Å²	108.8	65%	0.65	56%	0.555	S	S	*	*	H	α-helix	trans	-60.3	-41.4	174.8	-79.5	-177.2	171.8	0	0	111.9	A14 A15 V21 Q22	A14-E18 PolarHBondContact O-N 3.18Å; A15-E18 PolarHBondContact O-N 3.38Å; E18-V21 PolarHBondContact O-N 3.39Å; E18-Q22 WeakPolarHBondContact O-CG 3.37Å; E18-Q22 PolarHBondContact O-N 3.12Å
19	Y	68.9	Low	67.6	Low	161 Å²	161	111.2 Å²	111.2	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-62.6	-44	175	-178.5	-102.1	0	0	0	111.8	A15 E16 W17 V21 Q22 V23	A15-Y19 WeakPolarHBondContact O-CB 3.36Å; A15-Y19 PolarHBondContact O-N 2.81Å; E16-Y19 PolarHBondContact O-N 3.19Å; W17-Y19 VanDerWaalsContact C-N 3.32Å; W17-Y19 PolarHBondContact O-N 3.15Å; Y19-V21 VanDerWaalsContact C-N 3.33Å; Y19-V21 PolarHBondContact O-N 3.41Å; Y19-Q22 PolarHBondContact O-N 3.24Å; Y19-V23 HydrophobicContact CD1-CG2 4.39Å; Y19-V23 HydrophobicContact CE1-CG2 4.03Å; Y19-V23 HydrophobicContact CE2-CG2 4.39Å; Y19-V23 WeakPolarHBondContact O-CG2 3.12Å; Y19-V23 PolarHBondContact O-N 3.23Å
20	L	61.2	Low	66.7	Low	102 Å²	102	116.3 Å²	116.3	53%	0.534	59%	0.585	S	S	.	*	H	α-helix	trans	-66.1	-36.2	179.8	-137.3	135.3	0	0	0	112.1	E16 W17 V23 T24	E16-L20 WeakPolarHBondContact O-CB 3.38Å; E16-L20 PolarHBondContact O-N 3.32Å; W17-L20 PolarHBondContact O-N 3.09Å; L20-V23 PolarHBondContact O-N 3.1Å; L20-T24 WeakPolarHBondContact O-CB 3.29Å; L20-T24 WeakPolarHBondContact O-CG2 3.3Å; L20-T24 PolarHBondContact O-N 3.11Å; L20-T24 VanDerWaalsContact O-N 3.12Å; L20-T24 PolarHBondContact O-OG1 3.33Å
21	V	62.8	Low	66.1	Low	82 Å²	82	120.7 Å²	120.7	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-68.8	-38.8	173.1	173.3	0	0	0	0	111.3	W17 E18 Y19 V23 T24 S25	W17-V21 VanDerWaalsContact O-CG2 3.31Å; W17-V21 WeakPolarHBondContact O-CG2 3.12Å; W17-V21 PolarHBondContact O-N 3.15Å; E18-V21 PolarHBondContact O-N 3.39Å; Y19-V21 VanDerWaalsContact C-N 3.33Å; Y19-V21 PolarHBondContact O-N 3.41Å; V21-V23 VanDerWaalsContact C-N 3.34Å; V21-V23 PolarHBondContact O-N 3.01Å; V21-T24 WeakPolarHBondContact CA-OG1 2.94Å; V21-T24 PolarHBondContact O-N 3.21Å; V21-T24 PolarHBondContact O-OG1 3.3Å; V21-S25 WeakPolarHBondContact O-CB 3.36Å; V21-S25 PolarHBondContact O-N 3.41Å; V21-S25 PolarHBondContact O-OG 3.05Å
22	Q	60.5	Low	65.5	Low	138 Å²	138	122.5 Å²	122.5	65%	0.645	59%	0.594	S	S	*	*	H	α-helix	trans	-65.4	-35.5	175.4	-78	-173.5	4.3	0	0	113.1	E18 Y19 S25	E18-Q22 WeakPolarHBondContact O-CG 3.37Å; E18-Q22 PolarHBondContact O-N 3.12Å; Y19-Q22 PolarHBondContact O-N 3.24Å; Q22-S25 PolarHBondContact O-OG 3.21Å
23	V	59.8	Low	64.9	Low	94 Å²	94	122.4 Å²	122.4	57%	0.57	60%	0.6	S	S	*	*	H	α-helix	trans	-72.8	-32.7	177.5	176.3	0	0	0	0	111.8	Y19 L20 V21	Y19-V23 HydrophobicContact CD1-CG2 4.39Å; Y19-V23 HydrophobicContact CE1-CG2 4.03Å; Y19-V23 HydrophobicContact CE2-CG2 4.39Å; Y19-V23 WeakPolarHBondContact O-CG2 3.12Å; Y19-V23 PolarHBondContact O-N 3.23Å; L20-V23 PolarHBondContact O-N 3.1Å; V21-V23 VanDerWaalsContact C-N 3.34Å; V21-V23 PolarHBondContact O-N 3.01Å
24	T	58	Low	64.4	Low	98 Å²	98	127.6 Å²	127.6	60%	0.601	62%	0.622	S	S	*	*	H	α-helix	trans	-94	-19.5	-176.8	54.1	0	0	0	0	114.6	L20 V21 R26	L20-T24 WeakPolarHBondContact O-CB 3.29Å; L20-T24 WeakPolarHBondContact O-CG2 3.3Å; L20-T24 PolarHBondContact O-N 3.11Å; L20-T24 VanDerWaalsContact O-N 3.12Å; L20-T24 PolarHBondContact O-OG1 3.33Å; V21-T24 WeakPolarHBondContact CA-OG1 2.94Å; V21-T24 PolarHBondContact O-N 3.21Å; V21-T24 PolarHBondContact O-OG1 3.3Å; T24-R26 PolarHBondContact O-N 3.28Å
25	S	61.6	Low	63.7	Low	76 Å²	76	127.6 Å²	127.6	53%	0.531	62%	0.622	S	S	.	*	S	Bend	trans	-78.8	-11.7	-177.3	55.8	0	0	0	0	115.1	V21 Q22 P27	V21-S25 WeakPolarHBondContact O-CB 3.36Å; V21-S25 PolarHBondContact O-N 3.41Å; V21-S25 PolarHBondContact O-OG 3.05Å; Q22-S25 PolarHBondContact O-OG 3.21Å; S25-P27 VanDerWaalsContact O-CD 3.26Å; S25-P27 WeakPolarHBondContact O-CD 3.33Å
26	R	57.4	Low	63.2	Low	210 Å²	210	130.5 Å²	130.5	79%	0.792	63%	0.63	S	S	*	*	S	Bend	trans	-83.6	111	170.6	-73.8	-174.1	176.8	179.7	1	108.9	T24	T24-R26 PolarHBondContact O-N 3.28Å
27	P	57.9	Low	62.7	Low	93 Å²	93	129.8 Å²	129.8	60%	0.604	63%	0.626	S	S	*	*			trans	-59.3	142.9	174.9	26.7	-32.7	0	0	0	107.9	S25 V29	S25-P27 VanDerWaalsContact O-CD 3.26Å; S25-P27 WeakPolarHBondContact O-CD 3.33Å; P27-V29 HydrophobicContact CB-CG2 3.63Å; P27-V29 HydrophobicContact CG-CG2 3.56Å; P27-V29 PolarHBondContact O-N 2.88Å
28	P	59.7	Low	62.6	Low	90 Å²	90	124.9 Å²	124.9	58%	0.584	63%	0.628	S	S	*	*	S	Bend	trans	-75	59.6	-177.6	32.5	-34.9	0	0	0	110	R30	P28-R30 VanDerWaalsContact C-N 3.35Å
29	V	59.9	Low	62.5	Low	116 Å²	116	121.1 Å²	121.1	70%	0.703	62%	0.615	S	S	*	*			trans	-80.8	-20.6	-172.2	179.1	0	0	0	0	111.1	P27 R31	P27-V29 HydrophobicContact CB-CG2 3.63Å; P27-V29 HydrophobicContact CG-CG2 3.56Å; P27-V29 PolarHBondContact O-N 2.88Å; V29-R31 PolarHBondContact O-N 3.18Å
30	R	62.1	Low	62.5	Low	249 Å²	249	120.3 Å²	120.3	94%	0.94	61%	0.61	S	S	*	*			trans	-102.4	58.5	178.7	-70.9	-171.9	167.6	-169.8	-1.8	112.1	P28	P28-R30 VanDerWaalsContact C-N 3.35Å
31	R	61.1	Low	63	Low	186 Å²	186	124 Å²	124	70%	0.702	62%	0.622	S	S	*	*			trans	-96.8	115.6	165.5	-73.4	-178.3	170.1	165.5	-1.5	109	V29 L33	V29-R31 PolarHBondContact O-N 3.18Å; R31-L33 PolarHBondContact O-N 2.9Å
32	R	63.5	Low	63.4	Low	135 Å²	135	127.4 Å²	127.4	51%	0.509	63%	0.634	S	S	.	*			trans	-71.8	113.5	167.8	-72.4	-176.4	-174.2	170.3	5.5	107.6	E37	R32-E37 IonicContact CZ-OE1 3.44Å; R32-E37 IonicContact CZ-OE2 2.7Å; R32-E37 VanDerWaalsContact CZ-OE2 3.3Å; R32-E37 IonicContact NH1-OE1 3.19Å; R32-E37 PolarHBondContact NH1-OE1 2.87Å; R32-E37 IonicContact NH1-OE2 2.78Å; R32-E37 PolarHBondContact NH1-OE2 2.88Å; R32-E37 VanDerWaalsContact NH2-CD 3.34Å; R32-E37 IonicContact NH2-OE1 3.43Å; R32-E37 PolarHBondContact NH2-OE1 3.22Å; R32-E37 IonicContact NH2-OE2 3.3Å; R32-E37 PolarHBondContact NH2-OE2 2.7Å; R32-E37 VanDerWaalsContact NH2-OE2 3.12Å
33	L	69.3	Low	64	Low	138 Å²	138	127.4 Å²	127.4	72%	0.723	63%	0.629	S	S	*	*	S	Bend	trans	-73.6	-28	-172.7	-62.5	172.5	0	0	0	112.8	R31	R31-L33 PolarHBondContact O-N 2.9Å
34	F	65.3	Low	64.9	Low	178 Å²	178	125.4 Å²	125.4	78%	0.781	62%	0.619	S	S	*	*	S	Bend	trans	-145.9	18.7	-166.7	-58.2	-70.1	0	0	0	116.8	R43	F34-R43 PolarHBondContact O-NH1 2.88Å
35	A	59.9	Low	66	Low	45 Å²	45	125.3 Å²	125.3	37%	0.372	62%	0.618	S	S	.	*			trans	-151.1	128.8	-177.2	0	0	0	0	0	117.1
36	D	66.5	Low	67.1	Low	119 Å²	119	131.9 Å²	131.9	64%	0.636	63%	0.631	S	S	*	*			trans	-71.2	140.3	157.1	-180	-4.3	0	0	0	110.2	G38 T39	D36-G38 PolarHBondContact O-N 3.28Å; D36-G38 VanDerWaalsContact O-N 3.17Å; D36-G38 PolarHBondContact OD1-N 3.45Å; D36-T39 PolarHBondContact O-N 2.78Å; D36-T39 PolarHBondContact O-OG1 3.47Å
37	E	64.7	Low	68.5	Low	108 Å²	108	126.4 Å²	126.4	51%	0.505	62%	0.617	S	S	.	*	H	α-helix	trans	-51.1	-36	179.8	-152.8	91.3	-132.8	0	0	112.1	R32 T39 R40	R32-E37 IonicContact CZ-OE1 3.44Å; R32-E37 IonicContact CZ-OE2 2.7Å; R32-E37 VanDerWaalsContact CZ-OE2 3.3Å; R32-E37 IonicContact NH1-OE1 3.19Å; R32-E37 PolarHBondContact NH1-OE1 2.87Å; R32-E37 IonicContact NH1-OE2 2.78Å; R32-E37 PolarHBondContact NH1-OE2 2.88Å; R32-E37 VanDerWaalsContact NH2-CD 3.34Å; R32-E37 IonicContact NH2-OE1 3.43Å; R32-E37 PolarHBondContact NH2-OE1 3.22Å; R32-E37 IonicContact NH2-OE2 3.3Å; R32-E37 PolarHBondContact NH2-OE2 2.7Å; R32-E37 VanDerWaalsContact NH2-OE2 3.12Å; E37-T39 PolarHBondContact O-N 3.34Å; E37-R40 VanDerWaalsContact O-CB 3.27Å; E37-R40 WeakPolarHBondContact O-CB 3.39Å; E37-R40 PolarHBondContact O-N 3.47Å; E37-R40 IonicContact OE1-NH1 3.92Å; E37-R40 PolarHBondContact OE1-NH1 3.22Å
38	G	66.2	Low	69.9	Low	65 Å²	65	126.8 Å²	126.8	67%	0.67	61%	0.613	S	S	*	*	H	α-helix	trans	-64.1	-34.5	-177.2	0	0	0	0	0	114.3	D36	D36-G38 PolarHBondContact O-N 3.28Å; D36-G38 VanDerWaalsContact O-N 3.17Å; D36-G38 PolarHBondContact OD1-N 3.45Å
39	T	66.5	Low	71.4	Confident	61 Å²	61	124.5 Å²	124.5	37%	0.374	61%	0.607	S	S	.	*	H	α-helix	trans	-89.2	-9.1	-179.8	63.4	0	0	0	0	113.4	D36 E37 K41 R43	D36-T39 PolarHBondContact O-N 2.78Å; D36-T39 PolarHBondContact O-OG1 3.47Å; E37-T39 PolarHBondContact O-N 3.34Å; T39-K41 PolarHBondContact O-N 3.44Å; T39-R43 WeakPolarHBondContact O-CB 3.47Å; T39-R43 WeakPolarHBondContact O-CG 3.48Å; T39-R43 PolarHBondContact O-N 3.46Å
40	R	69.7	Low	72.8	Confident	143 Å²	143	126.2 Å²	126.2	54%	0.54	60%	0.602	S	S	.	*	H	α-helix	trans	-62	-48.2	-171.7	-176.2	-178.2	172.6	-157.9	-4.3	112.7	E37 S44	E37-R40 VanDerWaalsContact O-CB 3.27Å; E37-R40 WeakPolarHBondContact O-CB 3.39Å; E37-R40 PolarHBondContact O-N 3.47Å; E37-R40 IonicContact OE1-NH1 3.92Å; E37-R40 PolarHBondContact OE1-NH1 3.22Å; R40-S44 WeakPolarHBondContact O-CB 3.42Å; R40-S44 PolarHBondContact O-N 3.17Å
41	K	70.3	Confident	74.2	Confident	181 Å²	181	117.7 Å²	117.7	79%	0.787	58%	0.577	S	S	*	*	H	α-helix	trans	-64.6	-45.7	-176.7	-71.5	-174.3	178.8	180	0	111.4	T39 S44 T45	T39-K41 PolarHBondContact O-N 3.44Å; K41-S44 PolarHBondContact O-N 2.9Å; K41-T45 PolarHBondContact O-N 2.95Å; K41-T45 VanDerWaalsContact O-N 3.14Å; K41-T45 PolarHBondContact O-OG1 3.06Å
42	M	71.4	Confident	75.8	Confident	153 Å²	153	115.1 Å²	115.1	75%	0.754	57%	0.571	S	S	*	*	H	α-helix	trans	-71	-37.4	-178.8	-161.9	-175.5	-85.8	0	0	112.3	T45 R46	M42-T45 PolarHBondContact O-OG1 3.49Å; M42-R46 PolarHBondContact O-N 2.92Å
43	R	72.5	Confident	77.2	Confident	138 Å²	138	112.4 Å²	112.4	52%	0.521	57%	0.567	S	S	.	*	H	α-helix	trans	-67	-40	171.4	-78.2	-176.7	170.1	-177.7	-1.3	111.8	F34 T39 T45 R46 I47	F34-R43 PolarHBondContact O-NH1 2.88Å; T39-R43 WeakPolarHBondContact O-CB 3.47Å; T39-R43 WeakPolarHBondContact O-CG 3.48Å; T39-R43 PolarHBondContact O-N 3.46Å; R43-T45 PolarHBondContact O-N 3.1Å; R43-R46 PolarHBondContact O-N 2.91Å; R43-I47 HydrophobicContact CB-CD1 4.34Å; R43-I47 WeakPolarHBondContact O-CB 3.32Å; R43-I47 WeakPolarHBondContact O-CD1 3.39Å; R43-I47 WeakPolarHBondContact O-CG1 3.35Å; R43-I47 PolarHBondContact O-N 3.48Å
44	S	80	Confident	78.3	Confident	52 Å²	52	110.8 Å²	110.8	36%	0.364	56%	0.557	S	S	.	*	H	α-helix	trans	-60	-46	179.2	165	0	0	0	0	112.3	R40 K41 R46 I47 N48	R40-S44 WeakPolarHBondContact O-CB 3.42Å; R40-S44 PolarHBondContact O-N 3.17Å; K41-S44 PolarHBondContact O-N 2.9Å; S44-R46 VanDerWaalsContact C-N 3.35Å; S44-R46 PolarHBondContact O-N 3.47Å; S44-I47 PolarHBondContact O-N 3.49Å; S44-N48 WeakPolarHBondContact O-CB 3.17Å; S44-N48 PolarHBondContact O-N 3.41Å; S44-N48 PolarHBondContact O-OD1 3.31Å
45	T	80.8	Confident	79.4	Confident	96 Å²	96	107.6 Å²	107.6	59%	0.589	55%	0.547	S	S	*	.	H	α-helix	trans	-63.9	-41.5	177.7	51.1	0	0	0	0	111.7	K41 M42 R43 N48 G49	K41-T45 PolarHBondContact O-N 2.95Å; K41-T45 VanDerWaalsContact O-N 3.14Å; K41-T45 PolarHBondContact O-OG1 3.06Å; M42-T45 PolarHBondContact O-OG1 3.49Å; R43-T45 PolarHBondContact O-N 3.1Å; T45-N48 PolarHBondContact O-N 2.97Å; T45-G49 PolarHBondContact O-N 3.46Å
46	R	84.8	Confident	80.8	Confident	213 Å²	213	110.4 Å²	110.4	80%	0.804	55%	0.552	S	S	*	*	H	α-helix	trans	-65.8	-42.1	177	-167.1	175.6	-177.3	176.3	0.7	112.6	M42 R43 S44 G49 Y50	M42-R46 PolarHBondContact O-N 2.92Å; R43-R46 PolarHBondContact O-N 2.91Å; S44-R46 VanDerWaalsContact C-N 3.35Å; S44-R46 PolarHBondContact O-N 3.47Å; R46-G49 PolarHBondContact O-N 2.92Å; R46-Y50 WeakPolarHBondContact O-CB 3.4Å; R46-Y50 PolarHBondContact O-N 2.98Å
47	I	85.7	Confident	82	Confident	96 Å²	96	110.7 Å²	110.7	49%	0.492	55%	0.548	S	S	.	.	H	α-helix	trans	-63.7	-46	176	-70	163.9	0	0	0	109.8	R43 S44 G49 Y50 V51	R43-I47 HydrophobicContact CB-CD1 4.34Å; R43-I47 WeakPolarHBondContact O-CB 3.32Å; R43-I47 WeakPolarHBondContact O-CD1 3.39Å; R43-I47 WeakPolarHBondContact O-CG1 3.35Å; R43-I47 PolarHBondContact O-N 3.48Å; S44-I47 PolarHBondContact O-N 3.49Å; I47-G49 VanDerWaalsContact C-N 3.33Å; I47-G49 PolarHBondContact O-N 3.35Å; I47-Y50 PolarHBondContact O-N 2.89Å; I47-Y50 VanDerWaalsContact O-N 3.16Å; I47-V51 HydrophobicContact CG2-CG2 4.11Å; I47-V51 WeakPolarHBondContact O-CB 3.32Å; I47-V51 VanDerWaalsContact O-CG2 3.3Å; I47-V51 WeakPolarHBondContact O-CG2 3.41Å; I47-V51 PolarHBondContact O-N 2.89Å
48	N	88	Confident	83.1	Confident	100 Å²	100	108.7 Å²	108.7	54%	0.535	54%	0.541	S	S	.	.	H	α-helix	trans	-59.9	-43.7	177.6	-73.8	-6.8	0	0	0	111.6	S44 T45 K52	S44-N48 WeakPolarHBondContact O-CB 3.17Å; S44-N48 PolarHBondContact O-N 3.41Å; S44-N48 PolarHBondContact O-OD1 3.31Å; T45-N48 PolarHBondContact O-N 2.97Å; N48-K52 VanDerWaalsContact O-CB 3.28Å; N48-K52 WeakPolarHBondContact O-CB 3.36Å; N48-K52 PolarHBondContact O-N 2.93Å
49	G	91.6	Very high	84	Confident	43 Å²	43	107.7 Å²	107.7	44%	0.443	53%	0.526	S	S	.	.	H	α-helix	trans	-61.9	-42.5	174.9	0	0	0	0	0	112.8	T45 R46 I47 N53	T45-G49 PolarHBondContact O-N 3.46Å; R46-G49 PolarHBondContact O-N 2.92Å; I47-G49 VanDerWaalsContact C-N 3.33Å; I47-G49 PolarHBondContact O-N 3.35Å; G49-N53 WeakPolarHBondContact O-CB 3.45Å; G49-N53 PolarHBondContact O-N 3.28Å
50	Y	89.9	Confident	84.8	Confident	152 Å²	152	107.9 Å²	107.9	60%	0.596	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-47	177.5	-179.2	-97.4	0	0	0	112.5	R46 I47 K52 N53 M54	R46-Y50 WeakPolarHBondContact O-CB 3.4Å; R46-Y50 PolarHBondContact O-N 2.98Å; I47-Y50 PolarHBondContact O-N 2.89Å; I47-Y50 VanDerWaalsContact O-N 3.16Å; Y50-K52 PolarHBondContact O-N 3.4Å; Y50-N53 PolarHBondContact O-N 3.49Å; Y50-M54 HydrophobicContact CD1-CG 4.39Å; Y50-M54 HydrophobicContact CE1-CG 3.89Å; Y50-M54 PolarHBondContact O-N 3.36Å
51	V	91.4	Very high	85.6	Confident	69 Å²	69	107.4 Å²	107.4	42%	0.418	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-44.6	177.8	172	0	0	0	0	110.4	I47 N53 M54 L55	I47-V51 HydrophobicContact CG2-CG2 4.11Å; I47-V51 WeakPolarHBondContact O-CB 3.32Å; I47-V51 VanDerWaalsContact O-CG2 3.3Å; I47-V51 WeakPolarHBondContact O-CG2 3.41Å; I47-V51 PolarHBondContact O-N 2.89Å; V51-N53 VanDerWaalsContact C-N 3.35Å; V51-N53 PolarHBondContact O-N 3.43Å; V51-M54 PolarHBondContact O-N 3.28Å; V51-L55 HydrophobicContact CG1-CD1 3.94Å; V51-L55 HydrophobicContact CG1-CG 4.4Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 2.96Å
52	K	92.9	Very high	86.1	Confident	132 Å²	132	102.8 Å²	102.8	57%	0.574	51%	0.511	S	S	*	.	H	α-helix	trans	-58.7	-46.2	176.6	-170.2	-178.6	-178.8	-166.6	0	111.7	N48 Y50 L55 E56	N48-K52 VanDerWaalsContact O-CB 3.28Å; N48-K52 WeakPolarHBondContact O-CB 3.36Å; N48-K52 PolarHBondContact O-N 2.93Å; Y50-K52 PolarHBondContact O-N 3.4Å; K52-L55 PolarHBondContact O-N 2.97Å; K52-E56 WeakPolarHBondContact CE-OE1 3.3Å; K52-E56 IonicContact NZ-OE1 3.12Å; K52-E56 WeakPolarHBondContact O-CG 3.26Å; K52-E56 PolarHBondContact O-N 2.74Å
53	N	93	Very high	86.6	Confident	79 Å²	79	98.3 Å²	98.3	42%	0.422	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-40.9	178.2	-168.4	-7.3	0	0	0	112.1	G49 Y50 V51 L55 E56 K57	G49-N53 WeakPolarHBondContact O-CB 3.45Å; G49-N53 PolarHBondContact O-N 3.28Å; Y50-N53 PolarHBondContact O-N 3.49Å; V51-N53 VanDerWaalsContact C-N 3.35Å; V51-N53 PolarHBondContact O-N 3.43Å; N53-L55 PolarHBondContact O-N 2.93Å; N53-E56 PolarHBondContact O-N 3.37Å; N53-K57 WeakPolarHBondContact O-CG 3.36Å; N53-K57 PolarHBondContact O-N 2.94Å; N53-K57 WeakPolarHBondContact OD1-CE 3.06Å
54	M	92.5	Very high	86.8	Confident	104 Å²	104	100.2 Å²	100.2	51%	0.512	50%	0.501	S	S	.	.	H	α-helix	trans	-60.4	-44.1	173.9	-84.6	-77.1	-86.9	0	0	112	Y50 V51 K57 D58	Y50-M54 HydrophobicContact CD1-CG 4.39Å; Y50-M54 HydrophobicContact CE1-CG 3.89Å; Y50-M54 PolarHBondContact O-N 3.36Å; V51-M54 PolarHBondContact O-N 3.28Å; M54-K57 PolarHBondContact O-N 3.45Å; M54-D58 PolarHBondContact O-N 3.36Å
55	L	89.7	Confident	86.7	Confident	111 Å²	111	107.3 Å²	107.3	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-66.4	-39.8	178.1	-68.9	172	0	0	0	112.4	V51 K52 N53 K57 D58 A59	V51-L55 HydrophobicContact CG1-CD1 3.94Å; V51-L55 HydrophobicContact CG1-CG 4.4Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 2.96Å; K52-L55 PolarHBondContact O-N 2.97Å; N53-L55 PolarHBondContact O-N 2.93Å; L55-K57 VanDerWaalsContact C-N 3.35Å; L55-D58 PolarHBondContact O-N 3.49Å; L55-A59 WeakPolarHBondContact O-CB 3.28Å; L55-A59 PolarHBondContact O-N 2.84Å
56	E	89.5	Confident	86.3	Confident	103 Å²	103	108.1 Å²	108.1	48%	0.481	52%	0.515	S	S	.	.	H	α-helix	trans	-64.7	-38.5	175.2	-75.4	173.2	-178.1	0	0	111.9	K52 N53 A59 T60	K52-E56 WeakPolarHBondContact CE-OE1 3.3Å; K52-E56 IonicContact NZ-OE1 3.12Å; K52-E56 WeakPolarHBondContact O-CG 3.26Å; K52-E56 PolarHBondContact O-N 2.74Å; N53-E56 PolarHBondContact O-N 3.37Å; E56-A59 PolarHBondContact O-N 3.48Å; E56-T60 WeakPolarHBondContact O-CG2 3.4Å; E56-T60 PolarHBondContact O-N 2.93Å; E56-T60 PolarHBondContact O-OG1 3.21Å
57	K	90	Very high	85.4	Confident	125 Å²	125	100.1 Å²	100.1	54%	0.543	50%	0.499	S	S	.	.	H	α-helix	trans	-64.6	-45.8	173.9	-75.8	-179.5	179.5	-174.9	0	112.2	N53 M54 L55 A59 T60 E61	N53-K57 WeakPolarHBondContact O-CG 3.36Å; N53-K57 PolarHBondContact O-N 2.94Å; N53-K57 WeakPolarHBondContact OD1-CE 3.06Å; M54-K57 PolarHBondContact O-N 3.45Å; L55-K57 VanDerWaalsContact C-N 3.35Å; K57-A59 VanDerWaalsContact C-N 3.35Å; K57-A59 PolarHBondContact O-N 2.88Å; K57-T60 WeakPolarHBondContact CA-OG1 3.39Å; K57-T60 PolarHBondContact O-N 3.5Å; K57-T60 PolarHBondContact O-OG1 3.16Å; K57-E61 WeakPolarHBondContact O-CB 3.44Å; K57-E61 PolarHBondContact O-N 2.94Å
58	D	88.2	Confident	84.4	Confident	67 Å²	67	98 Å²	98	36%	0.358	49%	0.486	S	S	.	.	H	α-helix	trans	-63.2	-41.8	177	-177.6	53.9	0	0	0	111.4	M54 L55 T60 E61 K62	M54-D58 PolarHBondContact O-N 3.36Å; L55-D58 PolarHBondContact O-N 3.49Å; D58-T60 PolarHBondContact O-N 2.83Å; D58-E61 PolarHBondContact O-N 3.38Å; D58-K62 WeakPolarHBondContact O-CB 3.47Å; D58-K62 WeakPolarHBondContact O-CG 3.14Å; D58-K62 PolarHBondContact O-N 2.97Å; D58-K62 WeakPolarHBondContact OD1-CE 3.31Å; D58-K62 IonicContact OD1-NZ 3.6Å; D58-K62 VanDerWaalsContact OD2-CE 3.3Å; D58-K62 WeakPolarHBondContact OD2-CE 3.45Å; D58-K62 IonicContact OD2-NZ 2.7Å; D58-K62 PolarHBondContact OD2-NZ 2.75Å
59	A	85	Confident	83.2	Confident	44 Å²	44	96.5 Å²	96.5	36%	0.364	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-42.2	175.9	0	0	0	0	0	112.4	L55 E56 K57 Q63	L55-A59 WeakPolarHBondContact O-CB 3.28Å; L55-A59 PolarHBondContact O-N 2.84Å; E56-A59 PolarHBondContact O-N 3.48Å; K57-A59 VanDerWaalsContact C-N 3.35Å; K57-A59 PolarHBondContact O-N 2.88Å; A59-Q63 VanDerWaalsContact O-CB 3.29Å; A59-Q63 WeakPolarHBondContact O-CB 3.31Å; A59-Q63 PolarHBondContact O-N 3.43Å
60	T	84.8	Confident	81.8	Confident	65 Å²	65	98.8 Å²	98.8	40%	0.399	47%	0.472	S	S	.	.	H	α-helix	trans	-71	-35.2	177.4	49.2	0	0	0	0	112.6	E56 K57 D58 Q63 K64	E56-T60 WeakPolarHBondContact O-CG2 3.4Å; E56-T60 PolarHBondContact O-N 2.93Å; E56-T60 PolarHBondContact O-OG1 3.21Å; K57-T60 WeakPolarHBondContact CA-OG1 3.39Å; K57-T60 PolarHBondContact O-N 3.5Å; K57-T60 PolarHBondContact O-OG1 3.16Å; D58-T60 PolarHBondContact O-N 2.83Å; T60-Q63 PolarHBondContact O-N 2.7Å; T60-K64 WeakPolarHBondContact O-CG 3.48Å; T60-K64 PolarHBondContact O-N 3.45Å
61	E	86.1	Confident	80.5	Confident	132 Å²	132	96.7 Å²	96.7	62%	0.617	48%	0.476	S	S	*	.	H	α-helix	trans	-66.3	-46.5	174.2	-172.5	176.3	174	0	0	111.4	K57 D58 Q63 K64 R65	K57-E61 WeakPolarHBondContact O-CB 3.44Å; K57-E61 PolarHBondContact O-N 2.94Å; D58-E61 PolarHBondContact O-N 3.38Å; E61-Q63 VanDerWaalsContact C-N 3.32Å; E61-Q63 PolarHBondContact O-N 3.46Å; E61-K64 WeakPolarHBondContact O-CB 3.45Å; E61-K64 PolarHBondContact O-N 3.4Å; E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 PolarHBondContact O-N 3.41Å
62	K	81.2	Confident	78.8	Confident	85 Å²	85	95.2 Å²	95.2	37%	0.37	46%	0.463	S	S	.	.	H	α-helix	trans	-61.9	-41.2	174.1	-72.7	174.8	176.3	162	0	111.7	D58 K64 R65 F66 F70	D58-K62 WeakPolarHBondContact O-CB 3.47Å; D58-K62 WeakPolarHBondContact O-CG 3.14Å; D58-K62 PolarHBondContact O-N 2.97Å; D58-K62 WeakPolarHBondContact OD1-CE 3.31Å; D58-K62 IonicContact OD1-NZ 3.6Å; D58-K62 VanDerWaalsContact OD2-CE 3.3Å; D58-K62 WeakPolarHBondContact OD2-CE 3.45Å; D58-K62 IonicContact OD2-NZ 2.7Å; D58-K62 PolarHBondContact OD2-NZ 2.75Å; K62-K64 VanDerWaalsContact C-N 3.33Å; K62-K64 PolarHBondContact O-N 3.04Å; K62-R65 PolarHBondContact O-N 3.3Å; K62-F66 HydrophobicContact CB-CD2 4.22Å; K62-F66 HydrophobicContact CB-CE2 4.44Å; K62-F66 HydrophobicContact CG-CE2 4.42Å; K62-F66 WeakPolarHBondContact O-CD2 3.47Å; K62-F66 PolarHBondContact O-N 3.06Å; K62-F70 HydrophobicContact CB-CD2 4.22Å; K62-F70 HydrophobicContact CB-CE2 3.63Å; K62-F70 HydrophobicContact CB-CZ 4.4Å
63	Q	80.1	Confident	77	Confident	58 Å²	58	95.2 Å²	95.2	27%	0.271	47%	0.469	S	S	.	.	H	α-helix	trans	-57.9	-46.2	173.5	178.1	-165.9	-8.5	0	0	111.6	A59 T60 E61 R65 G67 F68 K69	A59-Q63 VanDerWaalsContact O-CB 3.29Å; A59-Q63 WeakPolarHBondContact O-CB 3.31Å; A59-Q63 PolarHBondContact O-N 3.43Å; T60-Q63 PolarHBondContact O-N 2.7Å; E61-Q63 VanDerWaalsContact C-N 3.32Å; E61-Q63 PolarHBondContact O-N 3.46Å; Q63-R65 VanDerWaalsContact C-N 3.31Å; Q63-R65 PolarHBondContact O-N 2.84Å; Q63-G67 WeakPolarHBondContact O-CA 3.34Å; Q63-G67 PolarHBondContact O-N 3.01Å; Q63-F68 WeakPolarHBondContact CA-O 3.36Å; Q63-K69 HydrophobicContact CB-CG 4.16Å; Q63-K69 HydrophobicContact CG-CB 4.3Å; Q63-K69 HydrophobicContact CG-CG 3.44Å; Q63-K69 VanDerWaalsContact CG-CG 3.44Å; Q63-K69 VanDerWaalsContact NE2-CE 3.35Å
64	K	78.6	Confident	75.2	Confident	179 Å²	179	94.1 Å²	94.1	78%	0.778	47%	0.467	S	S	*	.	H	α-helix	trans	-62.3	-39.9	177.4	-75.5	174.7	-178.8	-177.8	0	111.9	T60 E61 K62	T60-K64 WeakPolarHBondContact O-CG 3.48Å; T60-K64 PolarHBondContact O-N 3.45Å; E61-K64 WeakPolarHBondContact O-CB 3.45Å; E61-K64 PolarHBondContact O-N 3.4Å; K62-K64 VanDerWaalsContact C-N 3.33Å; K62-K64 PolarHBondContact O-N 3.04Å
65	R	75.9	Confident	73.4	Confident	200 Å²	200	94 Å²	94	76%	0.755	48%	0.476	S	S	*	.	H	α-helix	trans	-72	-41.2	-177.3	-170.3	172.7	-176.1	174.2	0.6	113.2	E61 K62 Q63	E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 PolarHBondContact O-N 3.41Å; K62-R65 PolarHBondContact O-N 3.3Å; Q63-R65 VanDerWaalsContact C-N 3.31Å; Q63-R65 PolarHBondContact O-N 2.84Å
66	F	72.8	Confident	71.8	Confident	114 Å²	114	95 Å²	95	50%	0.5	48%	0.482	S	S	.	.	H	α-helix	trans	-102.8	-5.9	-173.4	-61.1	-69.5	0	0	0	113.9	K62 F68 F70	K62-F66 HydrophobicContact CB-CD2 4.22Å; K62-F66 HydrophobicContact CB-CE2 4.44Å; K62-F66 HydrophobicContact CG-CE2 4.42Å; K62-F66 WeakPolarHBondContact O-CD2 3.47Å; K62-F66 PolarHBondContact O-N 3.06Å; F66-F68 HydrophobicContact CB-CD1 3.51Å; F66-F68 HydrophobicContact CB-CE1 3.55Å; F66-F68 HydrophobicContact CG-CE1 4.2Å; F66-F68 PolarHBondContact O-N 3.45Å; F66-F70 HydrophobicContact CD2-CE2 4.19Å; F66-F70 HydrophobicContact CD2-CZ 4.14Å
67	G	67.2	Low	70.3	Confident	45 Å²	45	92.9 Å²	92.9	46%	0.464	48%	0.475	S	S	.	.	S	Bend	trans	68.6	14.2	177.8	0	0	0	0	0	114.7	Q63 W82	Q63-G67 WeakPolarHBondContact O-CA 3.34Å; Q63-G67 PolarHBondContact O-N 3.01Å; G67-W82 PolarHBondContact O-NE1 3.37Å
68	F	63.4	Low	69.1	Low	52 Å²	52	93.2 Å²	93.2	23%	0.228	49%	0.49	C	S	.	.	S	Bend	trans	-133.8	137.9	173.9	81.7	-87	0	0	0	110.1	Q63 F66 F70	Q63-F68 WeakPolarHBondContact CA-O 3.36Å; F66-F68 HydrophobicContact CB-CD1 3.51Å; F66-F68 HydrophobicContact CB-CE1 3.55Å; F66-F68 HydrophobicContact CG-CE1 4.2Å; F66-F68 PolarHBondContact O-N 3.45Å; F68-F70 HydrophobicContact CD2-CD2 4.38Å; F68-F70 HydrophobicContact CD2-CG 4.4Å; F68-F70 HydrophobicContact CE1-CE1 4.09Å; F68-F70 AromaticContact CE1-CE2 3.87Å; F68-F70 HydrophobicContact CE1-CE2 3.87Å; F68-F70 AromaticContact CE1-CZ 3.6Å; F68-F70 HydrophobicContact CE1-CZ 3.6Å; F68-F70 HydrophobicContact CE2-CB 4.36Å; F68-F70 AromaticContact CE2-CD1 3.45Å; F68-F70 HydrophobicContact CE2-CD1 3.45Å; F68-F70 VanDerWaalsContact CE2-CD1 3.45Å; F68-F70 AromaticContact CE2-CD2 3.84Å; F68-F70 HydrophobicContact CE2-CD2 3.84Å; F68-F70 AromaticContact CE2-CE1 3.55Å; F68-F70 HydrophobicContact CE2-CE1 3.55Å; F68-F70 AromaticContact CE2-CE2 3.86Å; F68-F70 HydrophobicContact CE2-CE2 3.86Å; F68-F70 AromaticContact CE2-CG 3.62Å; F68-F70 HydrophobicContact CE2-CG 3.62Å; F68-F70 AromaticContact CE2-CZ 3.75Å; F68-F70 HydrophobicContact CE2-CZ 3.75Å; F68-F70 AromaticContact CZ-CD1 3.58Å; F68-F70 HydrophobicContact CZ-CD1 3.58Å; F68-F70 HydrophobicContact CZ-CD2 4.01Å; F68-F70 AromaticContact CZ-CE1 3.11Å; F68-F70 HydrophobicContact CZ-CE1 3.11Å; F68-F70 AromaticContact CZ-CE2 3.52Å; F68-F70 HydrophobicContact CZ-CE2 3.52Å; F68-F70 HydrophobicContact CZ-CG 4.02Å; F68-F70 AromaticContact CZ-CZ 3.07Å; F68-F70 HydrophobicContact CZ-CZ 3.07Å
69	K	64	Low	67.9	Low	68 Å²	68	93.3 Å²	93.3	30%	0.296	50%	0.495	S	S	.	.			trans	-78	129.6	164.8	-70.3	159.7	147.6	170.2	0	108	Q63 T71 Y72	Q63-K69 HydrophobicContact CB-CG 4.16Å; Q63-K69 HydrophobicContact CG-CB 4.3Å; Q63-K69 HydrophobicContact CG-CG 3.44Å; Q63-K69 VanDerWaalsContact CG-CG 3.44Å; Q63-K69 VanDerWaalsContact NE2-CE 3.35Å; K69-T71 WeakPolarHBondContact CB-OG1 3.44Å; K69-T71 PolarHBondContact O-N 3.04Å; K69-Y72 HydrophobicContact CB-CD1 4.21Å; K69-Y72 HydrophobicContact CB-CD2 3.28Å; K69-Y72 HydrophobicContact CB-CE1 4.4Å; K69-Y72 HydrophobicContact CB-CE2 3.51Å; K69-Y72 HydrophobicContact CB-CG 3.66Å; K69-Y72 HydrophobicContact CD-CD1 4.33Å; K69-Y72 HydrophobicContact CD-CD2 3.84Å; K69-Y72 HydrophobicContact CD-CE1 3.66Å; K69-Y72 HydrophobicContact CD-CE2 3.06Å; K69-Y72 HydrophobicContact CD-CG 4.4Å; K69-Y72 WeakPolarHBondContact CD-OH 3.35Å; K69-Y72 HydrophobicContact CG-CD2 3.83Å; K69-Y72 HydrophobicContact CG-CE2 3.48Å; K69-Y72 VanDerWaalsContact CG-CE2 3.48Å; K69-Y72 HydrophobicContact CG-CG 4.49Å; K69-Y72 PolarHBondContact NZ-OH 2.93Å; K69-Y72 WeakPolarHBondContact O-CA 3.17Å; K69-Y72 VanDerWaalsContact O-CB 3.3Å; K69-Y72 WeakPolarHBondContact O-CB 3.44Å; K69-Y72 PolarHBondContact O-N 3.39Å
70	F	62.3	Low	66.7	Low	90 Å²	90	92.6 Å²	92.6	40%	0.395	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-61.4	-20.8	168.6	-68.7	-97.4	0	0	0	112.4	K62 F66 F68 Y72	K62-F70 HydrophobicContact CB-CD2 4.22Å; K62-F70 HydrophobicContact CB-CE2 3.63Å; K62-F70 HydrophobicContact CB-CZ 4.4Å; F66-F70 HydrophobicContact CD2-CE2 4.19Å; F66-F70 HydrophobicContact CD2-CZ 4.14Å; F68-F70 HydrophobicContact CD2-CD2 4.38Å; F68-F70 HydrophobicContact CD2-CG 4.4Å; F68-F70 HydrophobicContact CE1-CE1 4.09Å; F68-F70 AromaticContact CE1-CE2 3.87Å; F68-F70 HydrophobicContact CE1-CE2 3.87Å; F68-F70 AromaticContact CE1-CZ 3.6Å; F68-F70 HydrophobicContact CE1-CZ 3.6Å; F68-F70 HydrophobicContact CE2-CB 4.36Å; F68-F70 AromaticContact CE2-CD1 3.45Å; F68-F70 HydrophobicContact CE2-CD1 3.45Å; F68-F70 VanDerWaalsContact CE2-CD1 3.45Å; F68-F70 AromaticContact CE2-CD2 3.84Å; F68-F70 HydrophobicContact CE2-CD2 3.84Å; F68-F70 AromaticContact CE2-CE1 3.55Å; F68-F70 HydrophobicContact CE2-CE1 3.55Å; F68-F70 AromaticContact CE2-CE2 3.86Å; F68-F70 HydrophobicContact CE2-CE2 3.86Å; F68-F70 AromaticContact CE2-CG 3.62Å; F68-F70 HydrophobicContact CE2-CG 3.62Å; F68-F70 AromaticContact CE2-CZ 3.75Å; F68-F70 HydrophobicContact CE2-CZ 3.75Å; F68-F70 AromaticContact CZ-CD1 3.58Å; F68-F70 HydrophobicContact CZ-CD1 3.58Å; F68-F70 HydrophobicContact CZ-CD2 4.01Å; F68-F70 AromaticContact CZ-CE1 3.11Å; F68-F70 HydrophobicContact CZ-CE1 3.11Å; F68-F70 AromaticContact CZ-CE2 3.52Å; F68-F70 HydrophobicContact CZ-CE2 3.52Å; F68-F70 HydrophobicContact CZ-CG 4.02Å; F68-F70 AromaticContact CZ-CZ 3.07Å; F68-F70 HydrophobicContact CZ-CZ 3.07Å; F70-Y72 PolarHBondContact O-N 3.32Å
71	T	61.7	Low	65.7	Low	109 Å²	109	94.9 Å²	94.9	67%	0.669	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-74.1	-15.1	171.8	58.6	0	0	0	0	113	K69 L73	K69-T71 WeakPolarHBondContact CB-OG1 3.44Å; K69-T71 PolarHBondContact O-N 3.04Å; T71-L73 VanDerWaalsContact C-N 3.26Å; T71-L73 PolarHBondContact O-N 3.44Å
72	Y	55.4	Low	64.4	Low	37 Å²	37	95.8 Å²	95.8	15%	0.145	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-89	28.8	179.9	-59.6	-37.4	0	0	0	113.6	K69 F70 S74 D77 S79	K69-Y72 HydrophobicContact CB-CD1 4.21Å; K69-Y72 HydrophobicContact CB-CD2 3.28Å; K69-Y72 HydrophobicContact CB-CE1 4.4Å; K69-Y72 HydrophobicContact CB-CE2 3.51Å; K69-Y72 HydrophobicContact CB-CG 3.66Å; K69-Y72 HydrophobicContact CD-CD1 4.33Å; K69-Y72 HydrophobicContact CD-CD2 3.84Å; K69-Y72 HydrophobicContact CD-CE1 3.66Å; K69-Y72 HydrophobicContact CD-CE2 3.06Å; K69-Y72 HydrophobicContact CD-CG 4.4Å; K69-Y72 WeakPolarHBondContact CD-OH 3.35Å; K69-Y72 HydrophobicContact CG-CD2 3.83Å; K69-Y72 HydrophobicContact CG-CE2 3.48Å; K69-Y72 VanDerWaalsContact CG-CE2 3.48Å; K69-Y72 HydrophobicContact CG-CG 4.49Å; K69-Y72 PolarHBondContact NZ-OH 2.93Å; K69-Y72 WeakPolarHBondContact O-CA 3.17Å; K69-Y72 VanDerWaalsContact O-CB 3.3Å; K69-Y72 WeakPolarHBondContact O-CB 3.44Å; K69-Y72 PolarHBondContact O-N 3.39Å; F70-Y72 PolarHBondContact O-N 3.32Å; Y72-S74 PolarHBondContact O-N 3.06Å; Y72-S74 VanDerWaalsContact O-N 3.11Å; Y72-D77 HydrophobicContact CD1-CB 4.02Å; Y72-D77 WeakPolarHBondContact CD1-OD2 3.47Å; Y72-D77 HydrophobicContact CE1-CB 4.37Å; Y72-D77 WeakPolarHBondContact CE1-OD2 3.36Å; Y72-S79 PolarHBondContact OH-OG 3.43Å
73	L	56.2	Low	63.7	Low	132 Å²	132	100.6 Å²	100.6	69%	0.691	53%	0.525	S	S	*	.			trans	-71.2	4.9	167.9	-67.8	172.4	0	0	0	112.6	T71	T71-L73 VanDerWaalsContact C-N 3.26Å; T71-L73 PolarHBondContact O-N 3.44Å
74	S	54	Low	62.9	Low	57 Å²	57	103.6 Å²	103.6	40%	0.399	53%	0.534	S	S	.	.	S	Bend	trans	-88.5	130.8	169.5	171.9	0	0	0	0	109.7	Y72 D76	Y72-S74 PolarHBondContact O-N 3.06Å; Y72-S74 VanDerWaalsContact O-N 3.11Å; S74-D76 PolarHBondContact O-N 3.45Å; S74-D76 VanDerWaalsContact O-N 3.1Å; S74-D76 PolarHBondContact OG-N 3.44Å
75	S	54.8	Low	62.2	Low	100 Å²	100	102.8 Å²	102.8	70%	0.699	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-14.7	172.6	47.5	0	0	0	0	114
76	D	56.6	Low	61.6	Low	133 Å²	133	98.9 Å²	98.9	71%	0.711	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	9.6	-161.6	-55.6	-18.1	0	0	0	113.5	S74 P78	S74-D76 PolarHBondContact O-N 3.45Å; S74-D76 VanDerWaalsContact O-N 3.1Å; S74-D76 PolarHBondContact OG-N 3.44Å; D76-P78 VanDerWaalsContact O-CD 3.26Å; D76-P78 WeakPolarHBondContact O-CD 3.46Å
77	D	58	Low	61	Low	59 Å²	59	101 Å²	101	32%	0.316	55%	0.549	S	S	.	.			trans	-91.2	108.4	-178.5	-150.3	-46.1	0	0	0	111.8	Y72 S79 S80	Y72-D77 HydrophobicContact CD1-CB 4.02Å; Y72-D77 WeakPolarHBondContact CD1-OD2 3.47Å; Y72-D77 HydrophobicContact CE1-CB 4.37Å; Y72-D77 WeakPolarHBondContact CE1-OD2 3.36Å; D77-S79 PolarHBondContact O-N 3.36Å; D77-S79 PolarHBondContact OD1-N 3.04Å; D77-S79 PolarHBondContact OD1-OG 3.47Å; D77-S80 PolarHBondContact O-N 3.41Å
78	P	63.8	Low	60.5	Low	132 Å²	132	107.4 Å²	107.4	86%	0.857	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-5.6	-173.2	29.3	-36.1	0	0	0	113.8	D76	D76-P78 VanDerWaalsContact O-CD 3.26Å; D76-P78 WeakPolarHBondContact O-CD 3.46Å
79	S	64.3	Low	59.9	Low	69 Å²	69	113.8 Å²	113.8	48%	0.483	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.6	-5.9	178.2	65.6	0	0	0	0	114	Y72 D77 P81	Y72-S79 PolarHBondContact OH-OG 3.43Å; D77-S79 PolarHBondContact O-N 3.36Å; D77-S79 PolarHBondContact OD1-N 3.04Å; D77-S79 PolarHBondContact OD1-OG 3.47Å; S79-P81 WeakPolarHBondContact O-CD 3.27Å
80	S	58.7	Low	58.8	Low	29 Å²	29	121.1 Å²	121.1	20%	0.203	62%	0.622	C	S	.	*			trans	-74	122.1	179.5	179.6	0	0	0	0	111.1	D77 W82	D77-S80 PolarHBondContact O-N 3.41Å; S80-W82 PolarHBondContact O-N 3.14Å; S80-W82 PolarHBondContact OG-N 3.49Å; S80-W82 PolarHBondContact OG-O 3.1Å
81	P	65.1	Low	57.7	Low	112 Å²	112	121.9 Å²	121.9	73%	0.727	64%	0.639	S	S	*	*	S	Bend	trans	-73.7	-5	171.5	30.2	-32.4	0	0	0	112.7	S79	S79-P81 WeakPolarHBondContact O-CD 3.27Å
82	W	57.9	Low	56.6	Low	151 Å²	151	122.7 Å²	122.7	57%	0.572	65%	0.649	S	S	*	*	S	Bend	trans	-105.3	126.6	-176.9	-56	100.6	0	0	0	110.6	G67 S80 W84	G67-W82 PolarHBondContact O-NE1 3.37Å; S80-W82 PolarHBondContact O-N 3.14Å; S80-W82 PolarHBondContact OG-N 3.49Å; S80-W82 PolarHBondContact OG-O 3.1Å; W82-W84 PolarHBondContact O-N 2.91Å
83	Q	66.6	Low	55.9	Low	186 Å²	186	125 Å²	125	87%	0.869	67%	0.67	S	S	*	*			trans	-79.2	108.4	167.1	-91.6	-178.2	-21.3	0	0	109.2	E85	Q83-E85 PolarHBondContact O-N 3.3Å
84	W	63.4	Low	55.1	Low	122 Å²	122	124.6 Å²	124.6	46%	0.462	68%	0.676	S	S	.	*			trans	-81.4	107.6	173.4	-63.5	98.5	0	0	0	109.2	W82	W82-W84 PolarHBondContact O-N 2.91Å
85	E	64.1	Low	54.2	Low	162 Å²	162	130.4 Å²	130.4	76%	0.757	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-84.2	129	169	-68.6	-162.2	165.3	0	0	109.7	Q83 L87	Q83-E85 PolarHBondContact O-N 3.3Å; E85-L87 PolarHBondContact O-N 2.89Å; E85-L87 VanDerWaalsContact O-N 3.15Å
86	P	64.2	Low	53.1	Low	118 Å²	118	131.8 Å²	131.8	77%	0.766	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-59.9	123.3	170	24.3	-31.2	0	0	0	108	K88	P86-K88 PolarHBondContact O-N 3.23Å
87	L	59.6	Low	52.2	Low	158 Å²	158	130.3 Å²	130.3	83%	0.827	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-53.5	116.8	176.7	-140.1	107.8	0	0	0	107	E85 Q89	E85-L87 PolarHBondContact O-N 2.89Å; E85-L87 VanDerWaalsContact O-N 3.15Å; L87-Q89 PolarHBondContact O-N 3Å
88	K	55.9	Low	51.2	Low	180 Å²	180	136.5 Å²	136.5	78%	0.783	74%	0.737	S	S	*	*			trans	-49.4	112.5	-179.2	-71.6	-177.3	-179.8	178.5	0	107.2	P86 Y90	P86-K88 PolarHBondContact O-N 3.23Å; K88-Y90 PolarHBondContact O-N 2.9Å
89	Q	51	Low	49.9	Very low	185 Å²	185	140.4 Å²	140.4	86%	0.864	74%	0.741	S	S	*	*			trans	-53.7	115.1	168.6	-77.6	178.2	-16	0	0	105	L87 S91	L87-Q89 PolarHBondContact O-N 3Å; Q89-S91 PolarHBondContact O-N 3.48Å
90	Y	40.7	Very low	48.7	Very low	223 Å²	223	142 Å²	142	88%	0.875	75%	0.752	S	S	*	*			trans	-60.6	93.2	168.3	-76.1	-88.3	0	0	0	105.5	K88 S92	K88-Y90 PolarHBondContact O-N 2.9Å; Y90-S92 PolarHBondContact O-N 3.23Å; Y90-S92 VanDerWaalsContact O-N 3.12Å
91	S	40.1	Very low	48.1	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	78%	0.782	S	S	*	*			trans	-62.4	116.1	170.1	45.1	0	0	0	0	105.7	Q89 S93	Q89-S91 PolarHBondContact O-N 3.48Å; S91-S93 PolarHBondContact O-N 3.02Å
92	S	38.2	Very low	47.3	Very low	126 Å²	126	149.8 Å²	149.8	88%	0.881	79%	0.786	S	S	*	*	S	Bend	trans	-63.7	87.3	171	45.1	0	0	0	0	108.7	Y90	Y90-S92 PolarHBondContact O-N 3.23Å; Y90-S92 VanDerWaalsContact O-N 3.12Å
93	S	40.6	Very low	46.9	Very low	84 Å²	84	148.1 Å²	148.1	59%	0.587	79%	0.794	S	S	*	*			trans	-152.6	115.9	163.8	-175.3	0	0	0	0	109.1	S91 H95	S91-S93 PolarHBondContact O-N 3.02Å; S93-H95 PolarHBondContact O-N 3.44Å; S93-H95 VanDerWaalsContact O-N 3.13Å
94	P	39.4	Very low	46.6	Very low	125 Å²	125	145 Å²	145	81%	0.812	79%	0.791	S	S	*	*			trans	-79.9	97.6	177.1	32.2	-27.9	0	0	0	108
95	H	34.8	Very low	45.9	Very low	178 Å²	178	146.9 Å²	146.9	82%	0.824	81%	0.808	S	S	*	*			trans	-90.2	128.9	159	-100.7	9.9	0	0	0	109.7	S93	S93-H95 PolarHBondContact O-N 3.44Å; S93-H95 VanDerWaalsContact O-N 3.13Å
96	C	33.1	Very low	45.5	Very low	130 Å²	130	143.6 Å²	143.6	88%	0.878	80%	0.801	S	S	*	*			trans	-51.4	133.6	-164.7	-65.3	0	0	0	0	113	E98	C96-E98 PolarHBondContact O-N 3.46Å
97	A	36.2	Very low	44.9	Very low	101 Å²	101	147.3 Å²	147.3	84%	0.835	80%	0.8	S	S	*	*			trans	-72.9	112.9	174.4	0	0	0	0	0	110.8
98	E	36.8	Very low	44.6	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.883	79%	0.791	S	S	*	*			trans	-83.7	109.2	147.9	-79.8	-168.5	155.9	0	0	108.7	C96 S100	C96-E98 PolarHBondContact O-N 3.46Å; E98-S100 PolarHBondContact O-N 3.41Å
99	K	37.2	Very low	44.5	Very low	215 Å²	215	143 Å²	143	94%	0.935	79%	0.786	S	S	*	*			trans	8.9	96.7	158.5	-62.7	175.9	-179.8	175.6	0	116.4
100	S	39.6	Very low	44.7	Very low	102 Å²	102	138.7 Å²	138.7	71%	0.713	78%	0.776	S	S	*	*			trans	-152.1	126.3	154	174.3	0	0	0	0	109.7	E98 K102	E98-S100 PolarHBondContact O-N 3.41Å; S100-K102 PolarHBondContact O-N 2.94Å; S100-K102 VanDerWaalsContact O-N 3.15Å
101	S	45.6	Very low	45.4	Very low	118 Å²	118	135.7 Å²	135.7	83%	0.825	77%	0.765	S	S	*	*			trans	-47.9	108.6	-176.8	52.9	0	0	0	0	113
102	K	47.7	Very low	45.9	Very low	187 Å²	187	138.1 Å²	138.1	81%	0.813	76%	0.762	S	S	*	*			trans	-119.2	133.8	160.1	-74.8	179.9	-179.7	176	0	108.1	S100	S100-K102 PolarHBondContact O-N 2.94Å; S100-K102 VanDerWaalsContact O-N 3.15Å
103	P	51.3	Low	46.8	Very low	115 Å²	115	136.3 Å²	136.3	75%	0.747	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-61.4	141.6	174.3	27.4	-32.1	0	0	0	108.4	L105	P103-L105 PolarHBondContact O-N 3.03Å
104	P	58.3	Low	47.2	Very low	122 Å²	122	138.5 Å²	138.5	79%	0.792	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-57.8	131.1	178.2	23.3	-31.4	0	0	0	109.2
105	L	49.8	Very low	47.9	Very low	160 Å²	160	139.9 Å²	139.9	84%	0.838	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-57.8	135.8	173.7	-75.2	161.8	0	0	0	108.7	P103 R107	P103-L105 PolarHBondContact O-N 3.03Å; L105-R107 PolarHBondContact O-N 3.49Å
106	P	55	Low	48.6	Very low	94 Å²	94	136 Å²	136	61%	0.61	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-60.3	128.1	177.4	24.1	-31.3	0	0	0	109	L108	P106-L108 PolarHBondContact O-N 2.82Å
107	R	52.6	Low	49.3	Very low	196 Å²	196	133.7 Å²	133.7	74%	0.74	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-60.9	129.8	175.4	-69.9	-172.5	175.5	168.2	-1.6	108.7	L105 D109 S110	L105-R107 PolarHBondContact O-N 3.49Å; R107-D109 PolarHBondContact O-N 3.34Å; R107-S110 PolarHBondContact O-N 3.44Å; R107-S110 PolarHBondContact O-OG 3.4Å
108	L	53.9	Low	49.8	Very low	120 Å²	120	134.6 Å²	134.6	63%	0.628	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-67.2	-11.6	179.7	-74.4	167.2	0	0	0	113	P106 S110 Y111 F112	P106-L108 PolarHBondContact O-N 2.82Å; L108-S110 PolarHBondContact O-N 3.48Å; L108-S110 VanDerWaalsContact O-N 3.1Å; L108-Y111 HydrophobicContact CD2-CD2 4.33Å; L108-Y111 PolarHBondContact O-N 2.86Å; L108-F112 PolarHBondContact O-N 3.3Å
109	D	53.5	Low	49.9	Very low	126 Å²	126	132.4 Å²	132.4	67%	0.674	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-56.7	-23.2	172.8	-49.6	-29	0	0	0	112	R107 Y111	R107-D109 PolarHBondContact O-N 3.34Å; D109-Y111 VanDerWaalsContact C-N 3.34Å
110	S	54.9	Low	50.1	Low	96 Å²	96	129.7 Å²	129.7	67%	0.671	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-75.7	-17.9	175.3	-46.5	0	0	0	0	114.2	R107 L108	R107-S110 PolarHBondContact O-N 3.44Å; R107-S110 PolarHBondContact O-OG 3.4Å; L108-S110 PolarHBondContact O-N 3.48Å; L108-S110 VanDerWaalsContact O-N 3.1Å
111	Y	54.1	Low	49.9	Very low	160 Å²	160	133.4 Å²	133.4	63%	0.627	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-11.7	-175.6	-72.3	-78.4	0	0	0	113.6	L108 D109	L108-Y111 HydrophobicContact CD2-CD2 4.33Å; L108-Y111 PolarHBondContact O-N 2.86Å; D109-Y111 VanDerWaalsContact C-N 3.34Å
112	F	51.3	Low	49.9	Very low	156 Å²	156	132.6 Å²	132.6	68%	0.684	72%	0.716	S	S	*	*	S	Bend	trans	-128.5	87.7	175.7	-62.8	-79.2	0	0	0	108.3	L108 D114	L108-F112 PolarHBondContact O-N 3.3Å; F112-D114 PolarHBondContact O-N 3.26Å
113	P	56.8	Low	49.4	Very low	88 Å²	88	132.8 Å²	132.8	57%	0.571	72%	0.72	S	S	*	*			trans	-56.1	126.7	171.3	21.5	-29.4	0	0	0	108.7	H115	P113-H115 PolarHBondContact O-CD2 3.12Å; P113-H115 PolarHBondContact O-N 3.37Å
114	D	49.9	Very low	48.7	Very low	131 Å²	131	134.3 Å²	134.3	70%	0.701	72%	0.722	S	S	*	*			trans	-63.3	101.8	-177.6	-156.1	-14.5	0	0	0	109.2	F112 S116	F112-D114 PolarHBondContact O-N 3.26Å; D114-S116 PolarHBondContact O-N 3.05Å; D114-S116 VanDerWaalsContact O-N 3.16Å; D114-S116 WeakPolarHBondContact OD1-CB 3.48Å; D114-S116 PolarHBondContact OD1-OG 3.47Å
115	H	52.9	Low	47.9	Very low	154 Å²	154	135.5 Å²	135.5	71%	0.713	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-74.2	3.7	-179.4	-68.1	-62	0	0	0	113	P113 A117	P113-H115 PolarHBondContact O-CD2 3.12Å; P113-H115 PolarHBondContact O-N 3.37Å; H115-A117 VanDerWaalsContact C-N 3.29Å; H115-A117 PolarHBondContact O-N 3.06Å
116	S	51	Low	47.1	Very low	97 Å²	97	137.1 Å²	137.1	68%	0.678	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-79.7	-6.8	179.6	64.1	0	0	0	0	114.1	D114	D114-S116 PolarHBondContact O-N 3.05Å; D114-S116 VanDerWaalsContact O-N 3.16Å; D114-S116 WeakPolarHBondContact OD1-CB 3.48Å; D114-S116 PolarHBondContact OD1-OG 3.47Å
117	A	46.7	Very low	46.4	Very low	80 Å²	80	138.6 Å²	138.6	66%	0.661	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-107.9	19.6	179.7	0	0	0	0	0	114.7	H115 D119	H115-A117 VanDerWaalsContact C-N 3.29Å; H115-A117 PolarHBondContact O-N 3.06Å; A117-D119 PolarHBondContact O-N 3.26Å
118	V	47.1	Very low	45.6	Very low	121 Å²	121	133.6 Å²	133.6	73%	0.733	74%	0.735	S	S	*	*			trans	-83.9	73.8	168	-170.4	0	0	0	0	108.2
119	D	39.5	Very low	44.6	Very low	143 Å²	143	134.7 Å²	134.7	77%	0.765	74%	0.741	S	S	*	*			trans	-66.5	143.1	163.7	-92.9	-38.3	0	0	0	109.9	A117 E121	A117-D119 PolarHBondContact O-N 3.26Å; D119-E121 PolarHBondContact O-N 3.12Å
120	N	40.9	Very low	43.8	Very low	157 Å²	157	135.5 Å²	135.5	84%	0.84	76%	0.755	S	S	*	*	S	Bend	trans	-58.7	92.6	-176.5	-64.8	-69.5	0	0	0	112.2
121	E	35.8	Very low	42.8	Very low	180 Å²	180	139.7 Å²	139.7	84%	0.841	76%	0.764	S	S	*	*			trans	-154.7	123.5	160.7	-121.7	173.4	174.3	0	0	114.6	D119	D119-E121 PolarHBondContact O-N 3.12Å
122	S	44.1	Very low	42.1	Very low	101 Å²	101	144 Å²	144	71%	0.706	78%	0.779	S	S	*	*			trans	78.4	91.5	153	74.2	0	0	0	0	119.6	N124	S122-N124 VanDerWaalsContact C-N 3.33Å; S122-N124 PolarHBondContact O-N 2.7Å; S122-N124 VanDerWaalsContact O-N 3.09Å
123	Q	38.5	Very low	41.4	Very low	192 Å²	192	140.5 Å²	140.5	90%	0.897	78%	0.779	S	S	*	*	S	Bend	trans	-55	96.5	133	-72.7	-177.2	-32.3	0	0	109.5
124	N	36.6	Very low	40.2	Very low	147 Å²	147	143.5 Å²	143.5	79%	0.786	80%	0.796	S	S	*	*			trans	161.1	101.1	148.9	-94.4	-30.7	0	0	0	110.3	S122	S122-N124 VanDerWaalsContact C-N 3.33Å; S122-N124 PolarHBondContact O-N 2.7Å; S122-N124 VanDerWaalsContact O-N 3.09Å
125	T	41.1	Very low	39.6	Very low	146 Å²	146	143.2 Å²	143.2	90%	0.896	80%	0.799	S	S	*	*			trans	-152.3	137	142.7	32.3	0	0	0	0	110.5
126	K	34.1	Very low	38.8	Very low	194 Å²	194	141.4 Å²	141.4	84%	0.843	80%	0.803	S	S	*	*			trans	-70	148.9	-167.8	-66.7	162.5	173.5	173.5	0	111.8	S128	K126-S128 PolarHBondContact O-N 2.78Å
127	S	38.7	Very low	38.4	Very low	126 Å²	126	141.8 Å²	141.8	88%	0.881	81%	0.806	S	S	*	*			trans	-65.1	104.6	163.2	54.1	0	0	0	0	110.5
128	S	36.5	Very low	38.1	Very low	91 Å²	91	147.2 Å²	147.2	64%	0.636	82%	0.818	S	S	*	*			trans	-161.1	140.5	158.3	55.2	0	0	0	0	110	K126	K126-S128 PolarHBondContact O-N 2.78Å
129	D	32.5	Very low	38.1	Very low	143 Å²	143	147.9 Å²	147.9	77%	0.765	82%	0.822	S	S	*	*			trans	83.9	69.7	163.2	-48.7	-34	0	0	0	118.8
130	C	37.8	Very low	37.9	Very low	142 Å²	142	145.5 Å²	145.5	96%	0.959	81%	0.809	S	S	*	*			trans	-113.4	51.6	145.7	-81.4	0	0	0	0	110.2
131	E	33.2	Very low	38.1	Very low	184 Å²	184	143.9 Å²	143.9	86%	0.86	81%	0.809	S	S	*	*			trans	-103.5	93.2	156.6	-76.8	-159.3	168.1	0	0	108.5
132	R	38.9	Very low	38.4	Very low	250 Å²	250	140.8 Å²	140.8	94%	0.943	80%	0.803	S	S	*	*			trans	-165.4	120.8	150.7	-120.1	169.8	-174.5	163.8	2.7	113.9
133	A	35.8	Very low	38.4	Very low	83 Å²	83	143.3 Å²	143.3	69%	0.686	80%	0.801	S	S	*	*			trans	77.9	77.7	151.9	0	0	0	0	0	119.1
134	V	33.6	Very low	38.5	Very low	152 Å²	152	139.5 Å²	139.5	92%	0.921	79%	0.793	S	S	*	*			trans	-100.9	90.5	135	-179	0	0	0	0	106.4
135	T	37	Very low	38.8	Very low	124 Å²	124	140 Å²	140	76%	0.761	80%	0.795	S	S	*	*			trans	-81.5	121.3	169.2	46.5	0	0	0	0	108.8
136	S	36.4	Very low	38.5	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	79%	0.791	S	S	*	*			trans	-51.4	124.5	177.7	51.3	0	0	0	0	115
137	S	41.7	Very low	38.8	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	79%	0.791	S	S	*	*			trans	-161.1	113.9	142.8	56.7	0	0	0	0	109.5
138	E	40.6	Very low	39.1	Very low	194 Å²	194	142.2 Å²	142.2	91%	0.907	79%	0.785	S	S	*	*			trans	40	92.6	161	-71.7	175.8	145.8	0	0	118.3
139	V	46.5	Very low	39.3	Very low	135 Å²	135	146 Å²	146	82%	0.818	79%	0.792	S	S	*	*			trans	-94.8	101.4	156.3	-176.3	0	0	0	0	107.8	C141	V139-C141 PolarHBondContact O-N 3.19Å
140	D	35.1	Very low	39.7	Very low	92 Å²	92	148 Å²	148	49%	0.492	79%	0.791	S	S	.	*			trans	-69.2	107.1	174	-169.3	-8.2	0	0	0	109.8	T142	D140-T142 PolarHBondContact O-N 3.49Å; D140-T142 PolarHBondContact OD1-OG1 3.44Å
141	C	45.1	Very low	39.9	Very low	124 Å²	124	144.5 Å²	144.5	84%	0.838	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	7.4	-174.1	-64.5	0	0	0	0	114.8	V139	V139-C141 PolarHBondContact O-N 3.19Å
142	T	42.1	Very low	40.5	Very low	115 Å²	115	140.9 Å²	140.9	71%	0.706	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	0.2	-176.7	59.3	0	0	0	0	114.2	D140	D140-T142 PolarHBondContact O-N 3.49Å; D140-T142 PolarHBondContact OD1-OG1 3.44Å
143	K	44	Very low	40.8	Very low	153 Å²	153	137.7 Å²	137.7	67%	0.665	75%	0.752	S	S	*	*	S	Bend	trans	-102.8	137.1	179.4	-65.8	178	-174	168.7	0	111.8	L145	K143-L145 PolarHBondContact O-N 3Å
144	P	40.4	Very low	41.2	Very low	113 Å²	113	138.1 Å²	138.1	73%	0.734	75%	0.75	S	S	*	*			trans	-64.5	128.3	176.5	26.5	-31.8	0	0	0	109.5	Q146	P144-Q146 PolarHBondContact O-N 3.35Å
145	L	44.5	Very low	41.6	Very low	158 Å²	158	136.1 Å²	136.1	83%	0.827	73%	0.733	S	S	*	*			trans	-55.7	93	178.3	-75.9	162.4	0	0	0	110.7	K143	K143-L145 PolarHBondContact O-N 3Å
146	Q	35	Very low	41.5	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	73%	0.733	S	S	*	*			trans	-83.3	123	164.5	-75.5	-169.4	-15.3	0	0	108.6	P144	P144-Q146 PolarHBondContact O-N 3.35Å
147	K	40.4	Very low	41.5	Very low	191 Å²	191	134.8 Å²	134.8	83%	0.83	73%	0.729	S	S	*	*			trans	65.5	78	169.6	-64	-178.5	176.3	-178.1	0	116.2	E149	K147-E149 PolarHBondContact O-N 3.06Å
148	L	43	Very low	41.6	Very low	145 Å²	145	135.6 Å²	135.6	76%	0.759	73%	0.73	S	S	*	*			trans	-76.9	101.9	142.5	-93.9	144.2	0	0	0	107.4	Y150	L148-Y150 PolarHBondContact O-N 3.39Å
149	E	41.4	Very low	41.4	Very low	170 Å²	170	133.6 Å²	133.6	79%	0.794	72%	0.724	S	S	*	*			trans	-58.9	116.3	167.5	-70.7	-175.6	157.4	0	0	108.6	K147 C151	K147-E149 PolarHBondContact O-N 3.06Å; E149-C151 PolarHBondContact O-N 3.26Å; E149-C151 VanDerWaalsContact O-N 3.15Å
150	Y	40.7	Very low	41.2	Very low	185 Å²	185	132.6 Å²	132.6	73%	0.725	72%	0.721	S	S	*	*			trans	-71.1	106.3	-178.6	-136.1	-99.5	0	0	0	108.2	L148 P152 L155	L148-Y150 PolarHBondContact O-N 3.39Å; Y150-P152 WeakPolarHBondContact O-CD 3.35Å; Y150-L155 HydrophobicContact CE1-CD1 3.87Å
151	C	41.8	Very low	41.5	Very low	68 Å²	68	134 Å²	134	46%	0.459	73%	0.733	S	S	.	*			trans	-77.3	115	168.5	-176.4	0	0	0	0	108.8	E149 F153 C154	E149-C151 PolarHBondContact O-N 3.26Å; E149-C151 VanDerWaalsContact O-N 3.15Å; C151-F153 PolarHBondContact O-N 3.17Å; C151-F153 VanDerWaalsContact O-N 3.12Å; C151-C154 HydrophobicContact CB-CB 4.4Å; C151-C154 PolarHBondContact O-N 3.21Å
152	P	45.6	Very low	41.2	Very low	108 Å²	108	138.3 Å²	138.3	70%	0.701	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-1.7	-176.2	28.4	-31.3	0	0	0	113.7	Y150	Y150-P152 WeakPolarHBondContact O-CD 3.35Å
153	F	45.4	Very low	40.9	Very low	183 Å²	183	140 Å²	140	80%	0.803	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-5.1	178.1	-91.8	-88.6	0	0	0	115	C151	C151-F153 PolarHBondContact O-N 3.17Å; C151-F153 VanDerWaalsContact O-N 3.12Å
154	C	45.4	Very low	40.7	Very low	93 Å²	93	139.1 Å²	139.1	63%	0.628	74%	0.737	S	S	*	*			trans	-93.7	6.4	-176.7	-62.5	0	0	0	0	114.9	C151 S156	C151-C154 HydrophobicContact CB-CB 4.4Å; C151-C154 PolarHBondContact O-N 3.21Å; C154-S156 VanDerWaalsContact C-N 3.27Å; C154-S156 PolarHBondContact O-N 3.16Å
155	L	40.8	Very low	40.8	Very low	109 Å²	109	139.5 Å²	139.5	57%	0.571	74%	0.739	S	S	*	*			trans	-88.5	30.4	-178	-79.7	171.2	0	0	0	114.8	Y150	Y150-L155 HydrophobicContact CE1-CD1 3.87Å
156	S	34.9	Very low	40.6	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	76%	0.761	S	S	*	*	S	Bend	trans	-114.8	40.2	174.9	41.8	0	0	0	0	113.2	C154	C154-S156 VanDerWaalsContact C-N 3.27Å; C154-S156 PolarHBondContact O-N 3.16Å
157	S	36.6	Very low	40.8	Very low	102 Å²	102	142.1 Å²	142.1	71%	0.713	76%	0.758	S	S	*	*			trans	-167.4	71.3	155.7	66.8	0	0	0	0	112.6	L159	S157-L159 PolarHBondContact O-N 2.94Å
158	T	44.1	Very low	40.9	Very low	124 Å²	124	139.5 Å²	139.5	76%	0.761	75%	0.754	S	S	*	*			trans	-88.2	80	162.6	40.8	0	0	0	0	109.6
159	L	37.8	Very low	40.7	Very low	152 Å²	152	139.2 Å²	139.2	80%	0.796	75%	0.754	S	S	*	*			trans	-69	129.3	149	-78.5	165.6	0	0	0	106.9	S157 V161	S157-L159 PolarHBondContact O-N 2.94Å; L159-V161 PolarHBondContact O-N 3.29Å; L159-V161 VanDerWaalsContact O-N 3.1Å
160	P	42	Very low	40.7	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	75%	0.752	S	S	*	*			trans	-70	109	172.2	27.1	-30.2	0	0	0	108.7	R162	P160-R162 PolarHBondContact O-N 3.08Å
161	V	40.2	Very low	40.7	Very low	122 Å²	122	134.4 Å²	134.4	74%	0.739	75%	0.753	S	S	*	*			trans	-63.8	105.9	162.3	178.3	0	0	0	0	106.5	L159 D163	L159-V161 PolarHBondContact O-N 3.29Å; L159-V161 VanDerWaalsContact O-N 3.1Å; V161-D163 PolarHBondContact O-N 3.25Å
162	R	38.4	Very low	40.6	Very low	214 Å²	214	138.8 Å²	138.8	81%	0.808	77%	0.773	S	S	*	*			trans	-78.8	107.7	165	-78.3	-175.8	168.1	-174.2	-3.1	107.3	P160	P160-R162 PolarHBondContact O-N 3.08Å
163	D	36.6	Very low	40.3	Very low	149 Å²	149	141 Å²	141	80%	0.797	78%	0.778	S	S	*	*			trans	-92.2	114.5	155.6	-73.9	-34.5	0	0	0	108.3	V161	V161-D163 PolarHBondContact O-N 3.25Å
164	I	39.9	Very low	39.9	Very low	136 Å²	136	137.8 Å²	137.8	70%	0.697	78%	0.776	S	S	*	*			trans	-92.2	128.3	171.6	-63.1	165.2	0	0	0	105.8
165	P	42.5	Very low	39.4	Very low	120 Å²	120	141.5 Å²	141.5	78%	0.779	79%	0.788	S	S	*	*			trans	-77.4	133.7	173.7	30.6	-30.3	0	0	0	110.5
166	L	39.5	Very low	39.3	Very low	246 Å²	246	144.5 Å²	144.5	100%	1.288	81%	0.808	S	S	*	*			trans	-125.8	0	154.2	-92.2	165.2	0	0	0	107.7

Retrieved 166 of 166 residues in 58.3 ms (Link to these results)

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