A0A077ZQD9_TRITR Loading...

Putative ABC transporter, ATP-binding protein

AlphaFold DB , UniProt , Accession A0A077ZQD9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 90 aa.

						>A0A077ZQD9_TRITR|A0A077ZQD9
MLVNADLRMYKGKRYGLVGRNGVGKTTLLRMISSGNIQLPSHLSILHVEQEVEGDDTLIIDSVLQADTRRQKLLEEEGRIREEMGSTSDK
					

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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	68.7	Low	86.9	Confident	193 Å²	193	143.4 Å²	143.4	95%	0.951	71%	0.71	S	S	*	*				0	138.6	0	-163.5	176.7	-173.3	0	0	108	V23	M1-V23 PolarHBondContact N-O 3.27Å
2	L	78.7	Confident	87.5	Confident	101 Å²	101	138.2 Å²	138.2	53%	0.529	72%	0.721	S	S	.	*			trans	-70.9	137.4	-177	-64.5	168	0	0	0	110.5	A5 L28	L2-A5 HydrophobicContact CB-CB 4.34Å; L2-A5 HydrophobicContact CD2-CB 4.27Å; L2-L28 HydrophobicContact CD1-CB 4.03Å; L2-L28 HydrophobicContact CD1-CD1 3.72Å; L2-L28 HydrophobicContact CD1-CD2 4.01Å; L2-L28 HydrophobicContact CD1-CG 4.11Å
3	V	84.6	Confident	88.2	Confident	119 Å²	119	138.6 Å²	138.6	72%	0.721	71%	0.713	S	S	*	*			trans	-132.6	124.9	175.8	-177.2	0	0	0	0	107	A5	V3-A5 VanDerWaalsContact C-N 3.33Å; V3-A5 PolarHBondContact O-N 3.1Å
4	N	87.9	Confident	88.7	Confident	161 Å²	161	146.6 Å²	146.6	86%	0.861	73%	0.73	S	S	*	*	S	Bend	trans	47.8	49.9	178.3	-59.1	-24	0	0	0	113.8
5	A	86.7	Confident	89.2	Confident	66 Å²	66	144.9 Å²	144.9	55%	0.545	71%	0.713	S	S	.	*			trans	-98.8	128.1	-178.5	0	0	0	0	0	111.3	L2 V3	L2-A5 HydrophobicContact CB-CB 4.34Å; L2-A5 HydrophobicContact CD2-CB 4.27Å; V3-A5 VanDerWaalsContact C-N 3.33Å; V3-A5 PolarHBondContact O-N 3.1Å
6	D	90.2	Very high	89.5	Confident	151 Å²	151	140.4 Å²	140.4	81%	0.807	72%	0.716	S	S	*	*			trans	-100.4	125.8	169.6	-72.8	-80	0	0	0	110.3
7	L	90.2	Very high	89.7	Confident	112 Å²	112	137.5 Å²	137.5	59%	0.586	70%	0.702	S	S	*	*			trans	-119.9	121.5	174.9	178.4	62.8	0	0	0	109.7	M9	L7-M9 HydrophobicContact CD1-CG 4.32Å; L7-M9 HydrophobicContact CD2-CE 4.25Å; L7-M9 HydrophobicContact CD2-CG 4.48Å; L7-M9 HydrophobicContact CD2-SD 4.24Å; L7-M9 HydrophobicContact CG-CG 4.19Å
8	R	92.4	Very high	89.9	Confident	196 Å²	196	137.6 Å²	137.6	74%	0.74	71%	0.71	S	S	*	*			trans	-115.2	126.4	173.8	-65.1	-176.8	-175.8	179	1.9	109.9
9	M	90.9	Very high	90	Very high	107 Å²	107	132.3 Å²	132.3	53%	0.527	69%	0.692	S	S	.	*			trans	-123.5	143.6	177.6	-64.2	-176.2	-69.6	0	0	109.4	L7 Y15	L7-M9 HydrophobicContact CD1-CG 4.32Å; L7-M9 HydrophobicContact CD2-CE 4.25Å; L7-M9 HydrophobicContact CD2-CG 4.48Å; L7-M9 HydrophobicContact CD2-SD 4.24Å; L7-M9 HydrophobicContact CG-CG 4.19Å; M9-Y15 HydrophobicContact CB-CD2 4.28Å; M9-Y15 HydrophobicContact CB-CE2 3.76Å; M9-Y15 HydrophobicContact CG-CD2 4.04Å; M9-Y15 HydrophobicContact CG-CE2 3.97Å; M9-Y15 HydrophobicContact SD-CD2 4.32Å
10	Y	93.4	Very high	90.2	Very high	158 Å²	158	136.7 Å²	136.7	62%	0.62	70%	0.699	S	S	*	*			trans	-114	142.5	179.2	-63.5	-83.1	0	0	0	110.5	G12 K13 Y15	Y10-G12 PolarHBondContact O-N 3.3Å; Y10-K13 WeakPolarHBondContact O-CB 3.41Å; Y10-K13 PolarHBondContact O-N 3.26Å; Y10-Y15 WeakPolarHBondContact CD2-OH 2.98Å; Y10-Y15 PolarHBondContact N-OH 2.64Å
11	K	92.6	Very high	90.2	Very high	213 Å²	213	137.7 Å²	137.7	93%	0.926	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	138.2	176.2	-176	178.1	178.5	179.5	0	110.7	K13	K11-K13 VanDerWaalsContact C-N 3.29Å; K11-K13 PolarHBondContact O-N 2.64Å
12	G	93.5	Very high	91.2	Very high	81 Å²	81	132.5 Å²	132.5	84%	0.835	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.1	7.8	177.3	0	0	0	0	0	114.9	Y10	Y10-G12 PolarHBondContact O-N 3.3Å
13	K	96.3	Very high	91.8	Very high	144 Å²	144	131.4 Å²	131.4	63%	0.626	70%	0.699	S	S	*	*			trans	-104.6	148.1	174.1	-58.4	-59.6	-176.6	-180	0	110.9	Y10 K11 Y15	Y10-K13 WeakPolarHBondContact O-CB 3.41Å; Y10-K13 PolarHBondContact O-N 3.26Å; K11-K13 VanDerWaalsContact C-N 3.29Å; K11-K13 PolarHBondContact O-N 2.64Å; K13-Y15 HydrophobicContact CB-CD2 4.39Å; K13-Y15 HydrophobicContact CB-CE2 3.56Å
14	R	96.2	Very high	92.1	Very high	251 Å²	251	126.5 Å²	126.5	95%	0.947	67%	0.673	S	S	*	*			trans	-105	130.1	172.9	-62.7	-177.6	-178.6	-156.1	-0.6	108.2
15	Y	95.3	Very high	92.3	Very high	120 Å²	120	120.9 Å²	120.9	47%	0.471	64%	0.641	S	S	.	*			trans	-118.2	143.9	-178.8	-62.3	-83.1	0	0	0	109.8	M9 Y10 K13	M9-Y15 HydrophobicContact CB-CD2 4.28Å; M9-Y15 HydrophobicContact CB-CE2 3.76Å; M9-Y15 HydrophobicContact CG-CD2 4.04Å; M9-Y15 HydrophobicContact CG-CE2 3.97Å; M9-Y15 HydrophobicContact SD-CD2 4.32Å; Y10-Y15 WeakPolarHBondContact CD2-OH 2.98Å; Y10-Y15 PolarHBondContact N-OH 2.64Å; K13-Y15 HydrophobicContact CB-CD2 4.39Å; K13-Y15 HydrophobicContact CB-CE2 3.56Å
16	G	94.5	Very high	92.6	Very high	74 Å²	74	119.4 Å²	119.4	76%	0.763	63%	0.625	S	S	*	*			trans	-114.3	138.7	171.5	0	0	0	0	0	110.5
17	L	92.8	Very high	92.6	Very high	90 Å²	90	116 Å²	116	47%	0.471	61%	0.61	S	S	.	*			trans	-106.6	109.1	175.6	-178.4	64.2	0	0	0	109.7	K25 L28	L17-K25 HydrophobicContact CD2-CB 3.79Å; L17-K25 HydrophobicContact CD2-CG 4.04Å; L17-K25 HydrophobicContact CG-CB 4.34Å; L17-K25 HydrophobicContact CG-CD 4.26Å; L17-K25 HydrophobicContact CG-CG 4.07Å; L17-L28 HydrophobicContact CD2-CD2 3.94Å
18	V	93.1	Very high	92.7	Very high	140 Å²	140	112 Å²	112	85%	0.848	59%	0.589	S	S	*	*			trans	-114.1	143.7	-177.1	-175.8	0	0	0	0	110.3
19	G	91.8	Very high	92.7	Very high	36 Å²	36	106.3 Å²	106.3	37%	0.371	57%	0.573	S	S	.	*			trans	170.7	170.5	177.7	0	0	0	0	0	111.4	K25	G19-K25 PolarHBondContact O-NZ 3.44Å
20	R	93.4	Very high	92.8	Very high	220 Å²	220	107 Å²	107	83%	0.83	57%	0.569	S	S	*	*			trans	-61.1	157.1	177.4	-65.4	174	67.7	-170.8	1.2	111.7	V23 K25	R20-V23 WeakPolarHBondContact O-CG1 3.13Å; R20-V23 PolarHBondContact O-N 3.47Å; R20-K25 PolarHBondContact O-NZ 2.97Å
21	N	90.9	Very high	92.7	Very high	158 Å²	158	103.1 Å²	103.1	85%	0.845	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	140.1	171.1	-70.1	-10.9	0	0	0	109.7	V23	N21-V23 PolarHBondContact O-N 3.05Å
22	G	89.1	Confident	92.6	Very high	85 Å²	85	94.5 Å²	94.5	88%	0.876	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-2.2	-177.9	0	0	0	0	0	116.7	G24	G22-G24 PolarHBondContact O-N 3.4Å
23	V	91.8	Very high	92.5	Very high	77 Å²	77	92.7 Å²	92.7	47%	0.467	50%	0.497	S	S	.	.	S	Bend	trans	-69.7	-18.7	-179.2	75.8	0	0	0	0	113.8	M1 R20 N21 K25	M1-V23 PolarHBondContact N-O 3.27Å; R20-V23 WeakPolarHBondContact O-CG1 3.13Å; R20-V23 PolarHBondContact O-N 3.47Å; N21-V23 PolarHBondContact O-N 3.05Å; V23-K25 HydrophobicContact CG1-CG 3.76Å
24	G	90.6	Very high	92.3	Very high	17 Å²	17	89.2 Å²	89.2	18%	0.175	49%	0.49	C	S	.	.	S	Bend	trans	116.7	15.4	-179.9	0	0	0	0	0	115.5	G22 T27 L28	G22-G24 PolarHBondContact O-N 3.4Å; G24-T27 WeakPolarHBondContact O-CB 3.36Å; G24-T27 PolarHBondContact O-N 3.46Å; G24-L28 PolarHBondContact O-N 3.45Å
25	K	93.5	Very high	91.9	Very high	43 Å²	43	79.8 Å²	79.8	19%	0.187	47%	0.471	C	S	.	.	H	α-helix	trans	-57.3	-53.5	179.2	-58.5	-172.4	-60.1	-86.4	0	112.2	L17 G19 R20 V23 T27 L28 L29	L17-K25 HydrophobicContact CD2-CB 3.79Å; L17-K25 HydrophobicContact CD2-CG 4.04Å; L17-K25 HydrophobicContact CG-CB 4.34Å; L17-K25 HydrophobicContact CG-CD 4.26Å; L17-K25 HydrophobicContact CG-CG 4.07Å; G19-K25 PolarHBondContact O-NZ 3.44Å; R20-K25 PolarHBondContact O-NZ 2.97Å; V23-K25 HydrophobicContact CG1-CG 3.76Å; K25-T27 VanDerWaalsContact C-N 3.3Å; K25-T27 PolarHBondContact O-N 2.79Å; K25-L28 PolarHBondContact O-N 3.42Å; K25-L29 WeakPolarHBondContact O-CG 3.19Å; K25-L29 PolarHBondContact O-N 2.88Å; K25-L29 VanDerWaalsContact O-N 3.08Å
26	T	91.4	Very high	91.6	Very high	34 Å²	34	79.7 Å²	79.7	21%	0.209	48%	0.479	C	S	.	.	H	α-helix	trans	-61.6	-40.3	177.3	-47.3	0	0	0	0	111	L28 L29 R30 Q50	T26-L28 PolarHBondContact O-N 3.38Å; T26-L29 PolarHBondContact O-N 2.93Å; T26-R30 WeakPolarHBondContact O-CB 3.32Å; T26-R30 WeakPolarHBondContact O-CG 3.45Å; T26-R30 PolarHBondContact O-N 3.22Å; T26-Q50 PolarHBondContact OG1-NE2 2.96Å; T26-Q50 PolarHBondContact OG1-OE1 3.02Å
27	T	91.9	Very high	91.4	Very high	79 Å²	79	79.1 Å²	79.1	49%	0.485	46%	0.457	S	S	.	.	H	α-helix	trans	-59.6	-45.6	175.5	-46.7	0	0	0	0	112.2	G24 K25 R30 M31	G24-T27 WeakPolarHBondContact O-CB 3.36Å; G24-T27 PolarHBondContact O-N 3.46Å; K25-T27 VanDerWaalsContact C-N 3.3Å; K25-T27 PolarHBondContact O-N 2.79Å; T27-R30 PolarHBondContact O-N 3Å; T27-M31 WeakPolarHBondContact O-CG 3.28Å; T27-M31 PolarHBondContact O-N 3.47Å
28	L	91.7	Very high	91.1	Very high	29 Å²	29	84.2 Å²	84.2	15%	0.152	48%	0.479	C	S	.	.	H	α-helix	trans	-60.8	-48.2	176.4	173.3	61.4	0	0	0	111.3	L2 L17 G24 K25 T26 R30 M31 I32 I37	L2-L28 HydrophobicContact CD1-CB 4.03Å; L2-L28 HydrophobicContact CD1-CD1 3.72Å; L2-L28 HydrophobicContact CD1-CD2 4.01Å; L2-L28 HydrophobicContact CD1-CG 4.11Å; L17-L28 HydrophobicContact CD2-CD2 3.94Å; G24-L28 PolarHBondContact O-N 3.45Å; K25-L28 PolarHBondContact O-N 3.42Å; T26-L28 PolarHBondContact O-N 3.38Å; L28-R30 VanDerWaalsContact C-N 3.3Å; L28-R30 PolarHBondContact O-N 2.94Å; L28-M31 PolarHBondContact O-N 3.5Å; L28-I32 HydrophobicContact CD1-CD1 4.2Å; L28-I32 HydrophobicContact CD1-CG1 4.48Å; L28-I32 HydrophobicContact CG-CD1 4.21Å; L28-I32 WeakPolarHBondContact O-CG1 3.47Å; L28-I32 PolarHBondContact O-N 3.49Å; L28-I32 VanDerWaalsContact O-N 3.08Å; L28-I37 HydrophobicContact CD1-CD1 4.38Å
29	L	92.5	Very high	91	Very high	76 Å²	76	80.5 Å²	80.5	40%	0.398	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-37.1	-179.8	-64.6	175.1	0	0	0	112.1	K25 T26 I32 S33	K25-L29 WeakPolarHBondContact O-CG 3.19Å; K25-L29 PolarHBondContact O-N 2.88Å; K25-L29 VanDerWaalsContact O-N 3.08Å; T26-L29 PolarHBondContact O-N 2.93Å; L29-I32 PolarHBondContact O-N 3.4Å; L29-S33 PolarHBondContact O-N 3.28Å; L29-S33 PolarHBondContact O-OG 3.03Å
30	R	92	Very high	90.9	Very high	121 Å²	121	82.1 Å²	82.1	46%	0.457	46%	0.458	S	S	.	.	H	α-helix	trans	-66	-39.3	174	-76.1	179.8	177.8	162	1.9	112.9	T26 T27 L28 I32 S33 S34 E49	T26-R30 WeakPolarHBondContact O-CB 3.32Å; T26-R30 WeakPolarHBondContact O-CG 3.45Å; T26-R30 PolarHBondContact O-N 3.22Å; T27-R30 PolarHBondContact O-N 3Å; L28-R30 VanDerWaalsContact C-N 3.3Å; L28-R30 PolarHBondContact O-N 2.94Å; R30-I32 VanDerWaalsContact C-N 3.3Å; R30-I32 PolarHBondContact O-N 3.3Å; R30-S33 WeakPolarHBondContact CA-OG 3.37Å; R30-S33 PolarHBondContact O-N 3.44Å; R30-S33 PolarHBondContact O-OG 3.38Å; R30-S33 VanDerWaalsContact O-OG 3.1Å; R30-S34 VanDerWaalsContact O-CB 3.24Å; R30-S34 WeakPolarHBondContact O-CB 3.38Å; R30-S34 PolarHBondContact O-N 3.45Å; R30-S34 PolarHBondContact O-OG 3.08Å; R30-E49 IonicContact CZ-OE2 3.58Å; R30-E49 IonicContact NE-OE1 3.79Å; R30-E49 IonicContact NE-OE2 3.45Å; R30-E49 PolarHBondContact NE-OE2 3.48Å; R30-E49 IonicContact NH2-OE2 2.82Å; R30-E49 PolarHBondContact NH2-OE2 3.41Å
31	M	91.5	Very high	90.7	Very high	77 Å²	77	77.7 Å²	77.7	38%	0.379	46%	0.461	S	S	.	.	H	α-helix	trans	-65.4	-34.8	175.1	-71.8	177.1	68.2	0	0	112.6	T27 L28 N36 I37	T27-M31 WeakPolarHBondContact O-CG 3.28Å; T27-M31 PolarHBondContact O-N 3.47Å; L28-M31 PolarHBondContact O-N 3.5Å; M31-N36 HydrophobicContact CB-CB 4.4Å; M31-N36 PolarHBondContact O-N 3.35Å; M31-N36 VanDerWaalsContact O-N 3.14Å; M31-I37 HydrophobicContact CB-CD1 4.22Å; M31-I37 HydrophobicContact CB-CG1 4.35Å
32	I	91.6	Very high	90.6	Very high	32 Å²	32	77.1 Å²	77.1	16%	0.164	45%	0.453	C	S	.	.	H	α-helix	trans	-66.3	-48.6	173.2	-69.2	168.6	0	0	0	110	L28 L29 R30 G35 I37 L39 I45	L28-I32 HydrophobicContact CD1-CD1 4.2Å; L28-I32 HydrophobicContact CD1-CG1 4.48Å; L28-I32 HydrophobicContact CG-CD1 4.21Å; L28-I32 WeakPolarHBondContact O-CG1 3.47Å; L28-I32 PolarHBondContact O-N 3.49Å; L28-I32 VanDerWaalsContact O-N 3.08Å; L29-I32 PolarHBondContact O-N 3.4Å; R30-I32 VanDerWaalsContact C-N 3.3Å; R30-I32 PolarHBondContact O-N 3.3Å; I32-G35 PolarHBondContact O-N 3.07Å; I32-I37 HydrophobicContact CG1-CD1 3.86Å; I32-L39 HydrophobicContact CG2-CD1 3.97Å; I32-I45 HydrophobicContact CG2-CD1 4.3Å; I32-I45 HydrophobicContact CG2-CG2 4.32Å
33	S	91.1	Very high	90.6	Very high	44 Å²	44	77.1 Å²	77.1	31%	0.308	43%	0.432	S	S	.	.	H	α-helix	trans	-72.5	-31.6	-175.7	66	0	0	0	0	114.1	L29 R30 G35	L29-S33 PolarHBondContact O-N 3.28Å; L29-S33 PolarHBondContact O-OG 3.03Å; R30-S33 WeakPolarHBondContact CA-OG 3.37Å; R30-S33 PolarHBondContact O-N 3.44Å; R30-S33 PolarHBondContact O-OG 3.38Å; R30-S33 VanDerWaalsContact O-OG 3.1Å; S33-G35 PolarHBondContact O-N 2.98Å
34	S	90.6	Very high	90.4	Very high	70 Å²	70	79.5 Å²	79.5	49%	0.49	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.3	177.6	78.5	0	0	0	0	113.7	R30 N36	R30-S34 VanDerWaalsContact O-CB 3.24Å; R30-S34 WeakPolarHBondContact O-CB 3.38Å; R30-S34 PolarHBondContact O-N 3.45Å; R30-S34 PolarHBondContact O-OG 3.08Å; S34-N36 VanDerWaalsContact C-N 3.29Å; S34-N36 PolarHBondContact O-N 3.22Å; S34-N36 PolarHBondContact OG-ND2 3.28Å; S34-N36 VanDerWaalsContact OG-ND2 3.11Å; S34-N36 PolarHBondContact OG-OD1 2.85Å
35	G	89.6	Confident	90.3	Very high	53 Å²	53	82.7 Å²	82.7	55%	0.546	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	13.5	-176.6	0	0	0	0	0	114.5	I32 S33 I37	I32-G35 PolarHBondContact O-N 3.07Å; S33-G35 PolarHBondContact O-N 2.98Å; G35-I37 PolarHBondContact O-N 3.41Å
36	N	89.2	Confident	90.1	Very high	119 Å²	119	87.8 Å²	87.8	64%	0.636	49%	0.493	S	S	*	.			trans	-68.3	-16.6	176	-71.5	-8.4	0	0	0	112.3	M31 S34	M31-N36 HydrophobicContact CB-CB 4.4Å; M31-N36 PolarHBondContact O-N 3.35Å; M31-N36 VanDerWaalsContact O-N 3.14Å; S34-N36 VanDerWaalsContact C-N 3.29Å; S34-N36 PolarHBondContact O-N 3.22Å; S34-N36 PolarHBondContact OG-ND2 3.28Å; S34-N36 VanDerWaalsContact OG-ND2 3.11Å; S34-N36 PolarHBondContact OG-OD1 2.85Å
37	I	88.7	Confident	90	Very high	61 Å²	61	88.9 Å²	88.9	31%	0.313	50%	0.495	S	S	.	.	S	Bend	trans	-107	123.7	172.9	-57	-179.2	0	0	0	107.6	L28 M31 I32 G35 L39	L28-I37 HydrophobicContact CD1-CD1 4.38Å; M31-I37 HydrophobicContact CB-CD1 4.22Å; M31-I37 HydrophobicContact CB-CG1 4.35Å; I32-I37 HydrophobicContact CG1-CD1 3.86Å; G35-I37 PolarHBondContact O-N 3.41Å; I37-L39 HydrophobicContact CG2-CG 4.46Å; I37-L39 PolarHBondContact O-N 3.33Å; I37-L39 VanDerWaalsContact O-N 3.12Å
38	Q	88	Confident	89.8	Confident	197 Å²	197	90.4 Å²	90.4	92%	0.921	50%	0.504	S	S	*	.			trans	-65.5	113	176.4	-66.1	-179.6	6.9	0	0	109.7
39	L	89.6	Confident	89.5	Confident	63 Å²	63	92.9 Å²	92.9	33%	0.33	52%	0.515	S	S	.	.			trans	-116.7	148.8	177.4	-70.6	169.3	0	0	0	109.9	I32 I37 S41 L43 I45	I32-L39 HydrophobicContact CG2-CD1 3.97Å; I37-L39 HydrophobicContact CG2-CG 4.46Å; I37-L39 PolarHBondContact O-N 3.33Å; I37-L39 VanDerWaalsContact O-N 3.12Å; L39-S41 PolarHBondContact O-N 3.28Å; L39-L43 HydrophobicContact CB-CD1 4.44Å; L39-L43 HydrophobicContact CD2-CD1 4.39Å; L39-I45 HydrophobicContact CD1-CD1 3.44Å; L39-I45 VanDerWaalsContact CD1-CD1 3.44Å; L39-I45 HydrophobicContact CD1-CG1 4.41Å
40	P	90.2	Very high	88.8	Confident	69 Å²	69	96.1 Å²	96.1	45%	0.448	53%	0.528	S	S	.	.			trans	-54.4	136.8	174.5	-26.5	33.1	0	0	0	112.5	H42 L43	P40-H42 WeakPolarHBondContact CB-CE1 3.38Å; P40-H42 WeakPolarHBondContact CB-ND1 3.2Å; P40-H42 PolarHBondContact O-N 2.96Å; P40-L43 HydrophobicContact CB-CG 4.41Å; P40-L43 HydrophobicContact CG-CD1 4.33Å; P40-L43 WeakPolarHBondContact O-CB 3.46Å; P40-L43 PolarHBondContact O-N 2.89Å
41	S	88.5	Confident	88.3	Confident	127 Å²	127	99 Å²	99	89%	0.888	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18	-174	55.4	0	0	0	0	115.5	L39 L43	L39-S41 PolarHBondContact O-N 3.28Å; S41-L43 VanDerWaalsContact C-N 3.32Å
42	H	89	Confident	87.8	Confident	147 Å²	147	101 Å²	101	68%	0.681	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-3.9	178.1	65.6	-92.9	0	0	0	113.4	P40	P40-H42 WeakPolarHBondContact CB-CE1 3.38Å; P40-H42 WeakPolarHBondContact CB-ND1 3.2Å; P40-H42 PolarHBondContact O-N 2.96Å
43	L	90.3	Very high	87.4	Confident	85 Å²	85	108.4 Å²	108.4	45%	0.445	60%	0.597	S	S	.	*			trans	-86.2	124.2	175.2	-65.1	-178.7	0	0	0	110.3	L39 P40 S41	L39-L43 HydrophobicContact CB-CD1 4.44Å; L39-L43 HydrophobicContact CD2-CD1 4.39Å; P40-L43 HydrophobicContact CB-CG 4.41Å; P40-L43 HydrophobicContact CG-CD1 4.33Å; P40-L43 WeakPolarHBondContact O-CB 3.46Å; P40-L43 PolarHBondContact O-N 2.89Å; S41-L43 VanDerWaalsContact C-N 3.32Å
44	S	87.1	Confident	87.1	Confident	126 Å²	126	110.2 Å²	110.2	88%	0.881	62%	0.622	S	S	*	*			trans	-85.4	131.6	168.3	-53.8	0	0	0	0	109.8
45	I	89.2	Confident	86.9	Confident	84 Å²	84	112.3 Å²	112.3	43%	0.431	63%	0.628	S	S	.	*			trans	-115.5	123.1	177	-53.9	172.5	0	0	0	107.6	I32 L39	I32-I45 HydrophobicContact CG2-CD1 4.3Å; I32-I45 HydrophobicContact CG2-CG2 4.32Å; L39-I45 HydrophobicContact CD1-CD1 3.44Å; L39-I45 VanDerWaalsContact CD1-CD1 3.44Å; L39-I45 HydrophobicContact CD1-CG1 4.41Å
46	L	88.7	Confident	87.1	Confident	150 Å²	150	118 Å²	118	79%	0.785	65%	0.646	S	S	*	*			trans	-120.1	121.3	169	179.9	65.2	0	0	0	107.3
47	H	89.4	Confident	87.2	Confident	57 Å²	57	114.6 Å²	114.6	26%	0.264	63%	0.629	S	S	.	*			trans	-114.5	128.6	179.1	-171.8	81.7	0	0	0	109.4	E49	H47-E49 IonicContact CD2-OE1 3.55Å; H47-E49 IonicContact NE2-OE1 3.56Å
48	V	87	Confident	87.4	Confident	111 Å²	111	117.1 Å²	117.1	67%	0.673	64%	0.643	S	S	*	*			trans	-109.7	121.1	176.5	-176.6	0	0	0	0	106.8
49	E	85.3	Confident	87.5	Confident	82 Å²	82	114.6 Å²	114.6	38%	0.383	63%	0.634	S	S	.	*			trans	-64.4	152.2	175.2	-71.7	-67	151.2	0	0	110.3	R30 H47 E51	R30-E49 IonicContact CZ-OE2 3.58Å; R30-E49 IonicContact NE-OE1 3.79Å; R30-E49 IonicContact NE-OE2 3.45Å; R30-E49 PolarHBondContact NE-OE2 3.48Å; R30-E49 IonicContact NH2-OE2 2.82Å; R30-E49 PolarHBondContact NH2-OE2 3.41Å; H47-E49 IonicContact CD2-OE1 3.55Å; H47-E49 IonicContact NE2-OE1 3.56Å; E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 3.03Å
50	Q	79	Confident	87.7	Confident	144 Å²	144	116.4 Å²	116.4	67%	0.673	64%	0.643	S	S	*	*	S	Bend	trans	-70.1	-30.1	-175	-68.9	-173.7	-30	0	0	112.8	T26	T26-Q50 PolarHBondContact OG1-NE2 2.96Å; T26-Q50 PolarHBondContact OG1-OE1 3.02Å
51	E	81.6	Confident	87.8	Confident	182 Å²	182	116.3 Å²	116.3	85%	0.85	64%	0.639	S	S	*	*			trans	-128.5	127.2	178.9	-66.6	176.5	179.8	0	0	107.1	E49	E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 3.03Å
52	V	80.5	Confident	87.8	Confident	117 Å²	117	113.3 Å²	113.3	71%	0.709	62%	0.618	S	S	*	*			trans	-123.4	124	172.9	-178	0	0	0	0	105.4	G54	V52-G54 PolarHBondContact O-N 3.41Å
53	E	83	Confident	87.8	Confident	189 Å²	189	110.9 Å²	110.9	88%	0.883	61%	0.613	S	S	*	*			trans	-69	119.2	170.4	-68.4	-175.6	173.3	0	0	107.7
54	G	83.8	Confident	87.7	Confident	81 Å²	81	109.8 Å²	109.8	84%	0.835	61%	0.607	S	S	*	*			trans	-71.6	130.6	173	0	0	0	0	0	109.5	V52	V52-G54 PolarHBondContact O-N 3.41Å
55	D	87.9	Confident	87.7	Confident	114 Å²	114	108.2 Å²	108.2	61%	0.61	59%	0.586	S	S	*	*			trans	-116.2	-176.8	170.4	63.6	17.5	0	0	0	110	T57	D55-T57 VanDerWaalsContact CG-OG1 3.23Å; D55-T57 PolarHBondContact O-N 3.09Å; D55-T57 WeakPolarHBondContact OD1-CB 3.43Å; D55-T57 PolarHBondContact OD1-N 2.92Å; D55-T57 PolarHBondContact OD1-OG1 3.19Å; D55-T57 PolarHBondContact OD2-OG1 3.21Å
56	D	93	Very high	87.5	Confident	174 Å²	174	107.4 Å²	107.4	93%	0.93	59%	0.592	S	S	*	*	S	Bend	trans	-77	8.3	-180	-65.3	-40.3	0	0	0	113	L58	D56-L58 PolarHBondContact O-N 3.42Å
57	T	91.4	Very high	87.5	Confident	46 Å²	46	104 Å²	104	28%	0.282	57%	0.574	S	S	.	*			trans	-65.2	130.8	177.1	-55.1	0	0	0	0	109.9	D55 I59 D61	D55-T57 VanDerWaalsContact CG-OG1 3.23Å; D55-T57 PolarHBondContact O-N 3.09Å; D55-T57 WeakPolarHBondContact OD1-CB 3.43Å; D55-T57 PolarHBondContact OD1-N 2.92Å; D55-T57 PolarHBondContact OD1-OG1 3.19Å; D55-T57 PolarHBondContact OD2-OG1 3.21Å; T57-I59 PolarHBondContact O-N 3.2Å; T57-D61 HydrophobicContact CG2-CB 3.77Å
58	L	93.4	Very high	87.3	Confident	114 Å²	114	105.5 Å²	105.5	60%	0.597	59%	0.588	S	S	*	*			trans	-59.2	140.7	175.2	-63.1	175.4	0	0	0	110	D56 I60 D61 S62	D56-L58 PolarHBondContact O-N 3.42Å; L58-I60 HydrophobicContact CB-CG2 4.05Å; L58-I60 PolarHBondContact O-N 3.07Å; L58-I60 VanDerWaalsContact O-N 3.1Å; L58-D61 HydrophobicContact CB-CB 4.4Å; L58-D61 WeakPolarHBondContact O-CA 3.25Å; L58-D61 WeakPolarHBondContact O-CB 3.38Å; L58-D61 PolarHBondContact O-N 3.22Å; L58-S62 PolarHBondContact O-N 2.97Å
59	I	90.2	Very high	87.3	Confident	144 Å²	144	109.3 Å²	109.3	74%	0.738	59%	0.59	S	S	*	*	H	α-helix	trans	-52.8	-40.6	-178.3	-62.8	168.8	0	0	0	111.4	T57 D61 S62 V63	T57-I59 PolarHBondContact O-N 3.2Å; I59-D61 VanDerWaalsContact C-N 3.34Å; I59-D61 PolarHBondContact O-N 3.35Å; I59-S62 PolarHBondContact O-N 3.41Å; I59-V63 WeakPolarHBondContact O-CG2 3.29Å; I59-V63 PolarHBondContact O-N 2.73Å
60	I	92.8	Very high	87.6	Confident	101 Å²	101	110 Å²	110	52%	0.518	59%	0.589	S	S	.	*	H	α-helix	trans	-62	-43.2	177.7	-174.6	58.7	0	0	0	111.5	L58 V63 L64	L58-I60 HydrophobicContact CB-CG2 4.05Å; L58-I60 PolarHBondContact O-N 3.07Å; L58-I60 VanDerWaalsContact O-N 3.1Å; I60-V63 PolarHBondContact O-N 3.5Å; I60-L64 HydrophobicContact CD1-CD1 4.37Å; I60-L64 HydrophobicContact CD1-CG 4.3Å; I60-L64 HydrophobicContact CG1-CD1 4.06Å; I60-L64 HydrophobicContact CG1-CG 4.42Å; I60-L64 VanDerWaalsContact O-CB 3.28Å; I60-L64 WeakPolarHBondContact O-CB 3.35Å; I60-L64 WeakPolarHBondContact O-CG 3.48Å; I60-L64 PolarHBondContact O-N 3.13Å
61	D	91.8	Very high	88.1	Confident	67 Å²	67	106.3 Å²	106.3	36%	0.358	57%	0.572	S	S	.	*	H	α-helix	trans	-68.2	-40.2	179.5	-65.8	-32.5	0	0	0	110.5	T57 L58 I59 V63 L64 Q65	T57-D61 HydrophobicContact CG2-CB 3.77Å; L58-D61 HydrophobicContact CB-CB 4.4Å; L58-D61 WeakPolarHBondContact O-CA 3.25Å; L58-D61 WeakPolarHBondContact O-CB 3.38Å; L58-D61 PolarHBondContact O-N 3.22Å; I59-D61 VanDerWaalsContact C-N 3.34Å; I59-D61 PolarHBondContact O-N 3.35Å; D61-V63 PolarHBondContact O-N 3.19Å; D61-L64 CarbonylContact O-C 3.58Å; D61-L64 PolarHBondContact O-N 3.3Å; D61-Q65 WeakPolarHBondContact O-CB 3.48Å; D61-Q65 WeakPolarHBondContact O-CG 3.46Å; D61-Q65 PolarHBondContact O-N 3.15Å
62	S	88.7	Confident	88.7	Confident	64 Å²	64	104.5 Å²	104.5	45%	0.448	56%	0.561	S	S	.	*	H	α-helix	trans	-59.6	-45.9	174.4	-177.2	0	0	0	0	112.3	L58 I59 L64 Q65 A66	L58-S62 PolarHBondContact O-N 2.97Å; I59-S62 PolarHBondContact O-N 3.41Å; S62-L64 VanDerWaalsContact C-N 3.34Å; S62-L64 PolarHBondContact O-N 3.24Å; S62-Q65 PolarHBondContact O-N 3.17Å; S62-A66 PolarHBondContact O-N 3.08Å
63	V	88.8	Confident	89.3	Confident	96 Å²	96	103.3 Å²	103.3	58%	0.582	55%	0.551	S	S	*	*	H	α-helix	trans	-63.7	-41.6	176	172.3	0	0	0	0	111.3	I59 I60 D61 Q65 A66	I59-V63 WeakPolarHBondContact O-CG2 3.29Å; I59-V63 PolarHBondContact O-N 2.73Å; I60-V63 PolarHBondContact O-N 3.5Å; D61-V63 PolarHBondContact O-N 3.19Å; V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 PolarHBondContact O-N 3.01Å; V63-A66 PolarHBondContact O-N 2.93Å
64	L	89.6	Confident	89.9	Confident	62 Å²	62	98.6 Å²	98.6	33%	0.325	53%	0.531	S	S	.	.	H	α-helix	trans	-67.2	-31.8	177.8	-77.6	-179.1	0	0	0	112.7	I60 D61 S62 R70	I60-L64 HydrophobicContact CD1-CD1 4.37Å; I60-L64 HydrophobicContact CD1-CG 4.3Å; I60-L64 HydrophobicContact CG1-CD1 4.06Å; I60-L64 HydrophobicContact CG1-CG 4.42Å; I60-L64 VanDerWaalsContact O-CB 3.28Å; I60-L64 WeakPolarHBondContact O-CB 3.35Å; I60-L64 WeakPolarHBondContact O-CG 3.48Å; I60-L64 PolarHBondContact O-N 3.13Å; D61-L64 CarbonylContact O-C 3.58Å; D61-L64 PolarHBondContact O-N 3.3Å; S62-L64 VanDerWaalsContact C-N 3.34Å; S62-L64 PolarHBondContact O-N 3.24Å; L64-R70 VanDerWaalsContact CB-NH1 3.31Å; L64-R70 PolarHBondContact O-NH1 2.82Å
65	Q	86.7	Confident	90.3	Very high	94 Å²	94	101.3 Å²	101.3	44%	0.439	52%	0.522	S	S	.	.	H	α-helix	trans	-74.4	-29.5	175.8	-73.5	170.2	3	0	0	112.5	D61 S62 V63 D67 Q71	D61-Q65 WeakPolarHBondContact O-CB 3.48Å; D61-Q65 WeakPolarHBondContact O-CG 3.46Å; D61-Q65 PolarHBondContact O-N 3.15Å; S62-Q65 PolarHBondContact O-N 3.17Å; V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 PolarHBondContact O-N 3.01Å; Q65-D67 PolarHBondContact O-N 3Å; Q65-Q71 VanDerWaalsContact CB-NE2 3.35Å; Q65-Q71 PolarHBondContact O-NE2 3.03Å; Q65-Q71 PolarHBondContact O-OE1 2.91Å
66	A	85.7	Confident	90.7	Very high	67 Å²	67	100.2 Å²	100.2	55%	0.554	51%	0.513	S	S	*	.	H	α-helix	trans	-62.7	-21.6	175.3	0	0	0	0	0	113.1	S62 V63 T68	S62-A66 PolarHBondContact O-N 3.08Å; V63-A66 PolarHBondContact O-N 2.93Å; A66-T68 VanDerWaalsContact C-N 3.31Å; A66-T68 PolarHBondContact O-N 3.45Å
67	D	88.1	Confident	90.8	Very high	77 Å²	77	95.6 Å²	95.6	41%	0.412	49%	0.486	S	S	.	.			trans	-78.5	79.1	170.8	-169.6	-15.4	0	0	0	111.2	Q65 R69 R70 Q71	Q65-D67 PolarHBondContact O-N 3Å; D67-R69 PolarHBondContact O-N 2.96Å; D67-R69 PolarHBondContact OD1-N 3.31Å; D67-R70 HydrophobicContact CB-CB 3.92Å; D67-R70 PolarHBondContact O-N 3.28Å; D67-R70 VanDerWaalsContact O-N 3.13Å; D67-R70 PolarHBondContact OD1-N 3.44Å; D67-R70 WeakPolarHBondContact OD2-CB 3.38Å; D67-Q71 PolarHBondContact O-N 3.16Å
68	T	85.7	Confident	90.9	Very high	90 Å²	90	94.7 Å²	94.7	55%	0.552	49%	0.486	S	S	*	.	H	α-helix	trans	-57.7	-28.8	178.7	57.9	0	0	0	0	113.5	A66 K72	A66-T68 VanDerWaalsContact C-N 3.31Å; A66-T68 PolarHBondContact O-N 3.45Å; T68-K72 VanDerWaalsContact O-CG 3.29Å; T68-K72 WeakPolarHBondContact O-CG 3.24Å; T68-K72 PolarHBondContact O-N 3.41Å; T68-K72 VanDerWaalsContact O-N 3.16Å
69	R	86.6	Confident	91	Very high	191 Å²	191	95.8 Å²	95.8	72%	0.721	48%	0.482	S	S	*	.	H	α-helix	trans	-71.4	-46.7	177.5	-179	179.7	178.2	179.5	-0.6	110.1	D67 K72 L73	D67-R69 PolarHBondContact O-N 2.96Å; D67-R69 PolarHBondContact OD1-N 3.31Å; R69-K72 PolarHBondContact O-N 2.94Å; R69-L73 HydrophobicContact CG-CD1 4.17Å; R69-L73 WeakPolarHBondContact O-CG 3.49Å; R69-L73 PolarHBondContact O-N 2.71Å; R69-L73 VanDerWaalsContact O-N 3.08Å
70	R	91.3	Very high	91.2	Very high	96 Å²	96	92.3 Å²	92.3	36%	0.362	46%	0.464	S	S	.	.	H	α-helix	trans	-60.2	-45	175.9	175	177.4	168.1	-104.4	-0.4	111.4	L64 D67 L73 L74	L64-R70 VanDerWaalsContact CB-NH1 3.31Å; L64-R70 PolarHBondContact O-NH1 2.82Å; D67-R70 HydrophobicContact CB-CB 3.92Å; D67-R70 PolarHBondContact O-N 3.28Å; D67-R70 VanDerWaalsContact O-N 3.13Å; D67-R70 PolarHBondContact OD1-N 3.44Å; D67-R70 WeakPolarHBondContact OD2-CB 3.38Å; R70-L73 PolarHBondContact O-N 3.48Å; R70-L74 HydrophobicContact CG-CD1 3.9Å; R70-L74 HydrophobicContact CG-CG 4.37Å; R70-L74 WeakPolarHBondContact O-CG 3.47Å; R70-L74 PolarHBondContact O-N 3.45Å
71	Q	90	Very high	91.2	Very high	67 Å²	67	94.9 Å²	94.9	31%	0.313	47%	0.467	S	S	.	.	H	α-helix	trans	-56.9	-51.6	177.6	-74	-172.9	-34.8	0	0	111.9	Q65 D67 L73 L74 E75	Q65-Q71 VanDerWaalsContact CB-NE2 3.35Å; Q65-Q71 PolarHBondContact O-NE2 3.03Å; Q65-Q71 PolarHBondContact O-OE1 2.91Å; D67-Q71 PolarHBondContact O-N 3.16Å; Q71-L73 VanDerWaalsContact C-N 3.29Å; Q71-L73 PolarHBondContact O-N 3.45Å; Q71-L74 PolarHBondContact O-N 3.34Å; Q71-L74 VanDerWaalsContact O-N 3.15Å; Q71-E75 WeakPolarHBondContact O-CG 3.44Å; Q71-E75 PolarHBondContact O-N 3.01Å
72	K	92.9	Very high	91.2	Very high	143 Å²	143	98.9 Å²	98.9	62%	0.622	48%	0.484	S	S	*	.	H	α-helix	trans	-57	-41.8	177.7	-74.6	176.9	-179.1	-176.1	0	112.8	T68 R69 E76	T68-K72 VanDerWaalsContact O-CG 3.29Å; T68-K72 WeakPolarHBondContact O-CG 3.24Å; T68-K72 PolarHBondContact O-N 3.41Å; T68-K72 VanDerWaalsContact O-N 3.16Å; R69-K72 PolarHBondContact O-N 2.94Å; K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 PolarHBondContact O-N 3.26Å
73	L	94.8	Very high	91.4	Very high	92 Å²	92	100.9 Å²	100.9	48%	0.482	49%	0.486	S	S	.	.	H	α-helix	trans	-68.1	-38.2	178.9	-73	171.6	0	0	0	112.4	R69 R70 Q71 E76 E77	R69-L73 HydrophobicContact CG-CD1 4.17Å; R69-L73 WeakPolarHBondContact O-CG 3.49Å; R69-L73 PolarHBondContact O-N 2.71Å; R69-L73 VanDerWaalsContact O-N 3.08Å; R70-L73 PolarHBondContact O-N 3.48Å; Q71-L73 VanDerWaalsContact C-N 3.29Å; Q71-L73 PolarHBondContact O-N 3.45Å; L73-E76 PolarHBondContact O-N 3.22Å; L73-E77 WeakPolarHBondContact O-CB 3.44Å; L73-E77 PolarHBondContact O-N 3.3Å
74	L	93.9	Very high	91.3	Very high	91 Å²	91	101.9 Å²	101.9	48%	0.476	49%	0.486	S	S	.	.	H	α-helix	trans	-68	-39.1	176.5	-71.7	171.3	0	0	0	111.9	R70 Q71 E77 G78	R70-L74 HydrophobicContact CG-CD1 3.9Å; R70-L74 HydrophobicContact CG-CG 4.37Å; R70-L74 WeakPolarHBondContact O-CG 3.47Å; R70-L74 PolarHBondContact O-N 3.45Å; Q71-L74 PolarHBondContact O-N 3.34Å; Q71-L74 VanDerWaalsContact O-N 3.15Å; L74-E77 PolarHBondContact O-N 3.47Å; L74-G78 PolarHBondContact O-N 3.32Å
75	E	93.9	Very high	91	Very high	137 Å²	137	100.8 Å²	100.8	64%	0.64	49%	0.49	S	S	*	.	H	α-helix	trans	-63.4	-45.3	173.3	-71.2	170.4	-176.4	0	0	111.6	Q71 E77 G78 R79	Q71-E75 WeakPolarHBondContact O-CG 3.44Å; Q71-E75 PolarHBondContact O-N 3.01Å; E75-E77 VanDerWaalsContact C-N 3.34Å; E75-E77 PolarHBondContact O-N 2.91Å; E75-G78 PolarHBondContact O-N 3.08Å; E75-R79 PolarHBondContact O-N 3.41Å
76	E	94.6	Very high	90.4	Very high	92 Å²	92	100.1 Å²	100.1	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-41.4	176.3	-178.3	171.2	-161.4	0	0	111.8	K72 L73 R79 I80	K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 PolarHBondContact O-N 3.26Å; L73-E76 PolarHBondContact O-N 3.22Å; E76-R79 PolarHBondContact O-N 3.38Å; E76-I80 HydrophobicContact CG-CD1 3.84Å; E76-I80 VanDerWaalsContact O-CG1 3.25Å; E76-I80 WeakPolarHBondContact O-CG1 3.32Å; E76-I80 PolarHBondContact O-N 3.23Å
77	E	95.2	Very high	89.7	Confident	77 Å²	77	101.8 Å²	101.8	36%	0.36	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-43.5	177.4	-164	-96.1	174.1	0	0	112.2	L73 L74 E75 I80 R81	L73-E77 WeakPolarHBondContact O-CB 3.44Å; L73-E77 PolarHBondContact O-N 3.3Å; L74-E77 PolarHBondContact O-N 3.47Å; E75-E77 VanDerWaalsContact C-N 3.34Å; E75-E77 PolarHBondContact O-N 2.91Å; E77-I80 PolarHBondContact O-N 3.2Å; E77-R81 WeakPolarHBondContact O-CG 3.44Å; E77-R81 PolarHBondContact O-N 3.1Å; E77-R81 IonicContact OE1-CZ 2.9Å; E77-R81 IonicContact OE1-NE 2.64Å; E77-R81 PolarHBondContact OE1-NE 2.98Å; E77-R81 IonicContact OE1-NH2 2.64Å; E77-R81 PolarHBondContact OE1-NH2 3.33Å; E77-R81 IonicContact OE2-CZ 3.83Å; E77-R81 IonicContact OE2-NE 3.61Å; E77-R81 IonicContact OE2-NH2 3.99Å
78	G	94.2	Very high	88.4	Confident	27 Å²	27	102.8 Å²	102.8	28%	0.278	51%	0.512	S	S	.	.	H	α-helix	trans	-59.5	-48.2	173.3	0	0	0	0	0	112.4	L74 E75 I80 R81 E82	L74-G78 PolarHBondContact O-N 3.32Å; E75-G78 PolarHBondContact O-N 3.08Å; G78-I80 PolarHBondContact O-N 3.37Å; G78-R81 PolarHBondContact O-N 3.08Å; G78-E82 PolarHBondContact O-N 3.47Å; G78-E82 VanDerWaalsContact O-N 3.08Å
79	R	95.1	Very high	87.1	Confident	136 Å²	136	105.7 Å²	105.7	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-59.1	-46.2	177	-176	-173.4	64.6	177.4	-1.9	112.1	E75 E76 R81 E82 E83	E75-R79 PolarHBondContact O-N 3.41Å; E76-R79 PolarHBondContact O-N 3.38Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 PolarHBondContact O-N 3.28Å; R79-E82 PolarHBondContact O-N 3.14Å; R79-E83 WeakPolarHBondContact O-CG 3.24Å; R79-E83 PolarHBondContact O-N 3.12Å; R79-E83 VanDerWaalsContact O-N 3.09Å
80	I	93.9	Very high	85.1	Confident	71 Å²	71	108.8 Å²	108.8	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-62.3	-39.8	179	-69.5	166.6	0	0	0	110.8	E76 E77 G78 E83 M84	E76-I80 HydrophobicContact CG-CD1 3.84Å; E76-I80 VanDerWaalsContact O-CG1 3.25Å; E76-I80 WeakPolarHBondContact O-CG1 3.32Å; E76-I80 PolarHBondContact O-N 3.23Å; E77-I80 PolarHBondContact O-N 3.2Å; G78-I80 PolarHBondContact O-N 3.37Å; I80-E83 PolarHBondContact O-N 3.4Å; I80-M84 HydrophobicContact CG2-CG 4.49Å; I80-M84 WeakPolarHBondContact O-CG 3.36Å; I80-M84 PolarHBondContact O-N 3.45Å
81	R	93.2	Very high	84.8	Confident	155 Å²	155	109.4 Å²	109.4	59%	0.585	55%	0.552	S	S	*	*	H	α-helix	trans	-63.5	-41.1	176.7	-76.8	-175.3	178.5	-168.8	9.3	112.8	E77 G78 R79 M84 G85	E77-R81 WeakPolarHBondContact O-CG 3.44Å; E77-R81 PolarHBondContact O-N 3.1Å; E77-R81 IonicContact OE1-CZ 2.9Å; E77-R81 IonicContact OE1-NE 2.64Å; E77-R81 PolarHBondContact OE1-NE 2.98Å; E77-R81 IonicContact OE1-NH2 2.64Å; E77-R81 PolarHBondContact OE1-NH2 3.33Å; E77-R81 IonicContact OE2-CZ 3.83Å; E77-R81 IonicContact OE2-NE 3.61Å; E77-R81 IonicContact OE2-NH2 3.99Å; G78-R81 PolarHBondContact O-N 3.08Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 PolarHBondContact O-N 3.28Å; R81-M84 PolarHBondContact O-N 3.11Å; R81-G85 PolarHBondContact O-N 2.86Å
82	E	93.3	Very high	84.5	Confident	151 Å²	151	111.6 Å²	111.6	71%	0.706	57%	0.565	S	S	*	*	H	α-helix	trans	-63	-44	176.2	-70.8	175.4	-177.4	0	0	111.7	G78 R79 G85 S86	G78-E82 PolarHBondContact O-N 3.47Å; G78-E82 VanDerWaalsContact O-N 3.08Å; R79-E82 PolarHBondContact O-N 3.14Å; E82-G85 PolarHBondContact O-N 3.44Å; E82-S86 PolarHBondContact O-N 3.43Å; E82-S86 VanDerWaalsContact O-N 3.07Å
83	E	91.6	Very high	84	Confident	106 Å²	106	109.9 Å²	109.9	50%	0.495	56%	0.561	S	S	.	*	H	α-helix	trans	-62.2	-43.5	176.9	-71.5	175.3	-175.1	0	0	112.2	R79 I80 S86 T87	R79-E83 WeakPolarHBondContact O-CG 3.24Å; R79-E83 PolarHBondContact O-N 3.12Å; R79-E83 VanDerWaalsContact O-N 3.09Å; I80-E83 PolarHBondContact O-N 3.4Å; E83-S86 PolarHBondContact O-N 2.88Å; E83-S86 PolarHBondContact O-OG 2.98Å; E83-T87 PolarHBondContact O-N 3.24Å; E83-T87 PolarHBondContact O-OG1 3.3Å
84	M	87.6	Confident	83.4	Confident	117 Å²	117	110.9 Å²	110.9	58%	0.576	57%	0.566	S	S	*	*	H	α-helix	trans	-65.2	-38.2	176.4	-71.6	-164.8	-46.5	0	0	113.1	I80 R81 T87 S88	I80-M84 HydrophobicContact CG2-CG 4.49Å; I80-M84 WeakPolarHBondContact O-CG 3.36Å; I80-M84 PolarHBondContact O-N 3.45Å; R81-M84 PolarHBondContact O-N 3.11Å; M84-T87 PolarHBondContact O-N 3.44Å; M84-S88 PolarHBondContact O-N 3.43Å; M84-S88 PolarHBondContact O-OG 3.28Å
85	G	82.6	Confident	82.7	Confident	40 Å²	40	112.2 Å²	112.2	41%	0.412	57%	0.572	S	S	.	*	H	α-helix	trans	-62.8	-45.1	175.7	0	0	0	0	0	111.8	R81 E82 T87 S88	R81-G85 PolarHBondContact O-N 2.86Å; E82-G85 PolarHBondContact O-N 3.44Å; G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3.25Å; G85-S88 PolarHBondContact O-N 3.28Å
86	S	75.2	Confident	82	Confident	79 Å²	79	110.5 Å²	110.5	55%	0.552	57%	0.567	S	S	*	*	H	α-helix	trans	-67.7	-22.7	179.2	73.2	0	0	0	0	114.7	E82 E83	E82-S86 PolarHBondContact O-N 3.43Å; E82-S86 VanDerWaalsContact O-N 3.07Å; E83-S86 PolarHBondContact O-N 2.88Å; E83-S86 PolarHBondContact O-OG 2.98Å
87	T	70	Confident	81.1	Confident	103 Å²	103	111.9 Å²	111.9	63%	0.632	58%	0.577	S	S	*	*	H	α-helix	trans	-82.7	-19.9	179.2	-56.3	0	0	0	0	112.1	E83 M84 G85	E83-T87 PolarHBondContact O-N 3.24Å; E83-T87 PolarHBondContact O-OG1 3.3Å; M84-T87 PolarHBondContact O-N 3.44Å; G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3.25Å
88	S	60.9	Low	80	Confident	98 Å²	98	114.5 Å²	114.5	69%	0.685	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-8	-179.8	-59	0	0	0	0	113.8	M84 G85	M84-S88 PolarHBondContact O-N 3.43Å; M84-S88 PolarHBondContact O-OG 3.28Å; G85-S88 PolarHBondContact O-N 3.28Å
89	D	58.7	Low	78.8	Confident	151 Å²	151	121.8 Å²	121.8	81%	0.807	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	20	178.9	-79.4	-26.7	0	0	0	113.8
90	K	43.7	Very low	77.3	Confident	255 Å²	255	120.5 Å²	120.5	100%	1.109	63%	0.63	S	S	*	*			trans	-128.1	0	169.9	-82.9	-174.8	178.4	174.1	0	111.7

Retrieved 90 of 90 residues in 43.9 ms (Link to these results)

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