G4VHL8_SCHMA Loading...

C3H1-type domain-containing protein

AlphaFold DB , UniProt , Accession G4VHL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 153 aa.

						>G4VHL8_SCHMA|G4VHL8
MGRRFICDYCDKSFPDNPINRRNHLKGVQHQQARKLHYDKFLDPKEKLSIEKSKKPCITFRNTGTCTFGPLCKYSHLTNEEVRILEERSNAELLASSYLNHLTSEVNIDHQIKLLESKLISKREKQSNCGSIQRFHIPEGIQLLYLPPSLSLH
					

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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	63.2	Low	88.5	Confident	244 Å²	244	112.4 Å²	112.4	100%	1.202	55%	0.554	S	S	*	*				0	95.8	0	-65.8	-75.7	-174.3	0	0	108.2
2	G	75.1	Confident	88.6	Confident	72 Å²	72	110.3 Å²	110.3	74%	0.742	54%	0.539	S	S	*	.			trans	-70.6	145.9	-179.3	0	0	0	0	0	112
3	R	86.5	Confident	88.9	Confident	211 Å²	211	107.3 Å²	107.3	80%	0.796	54%	0.537	S	S	*	.			trans	-63	137.4	174.1	-74.4	-169.9	-78.6	-163.5	-4.2	109.7	D16	R3-D16 HydrophobicContact CB-CB 4.14Å; R3-D16 WeakPolarHBondContact O-CB 3.28Å; R3-D16 PolarHBondContact O-N 3.01Å
4	R	90.3	Very high	89.1	Confident	183 Å²	183	102.2 Å²	102.2	69%	0.691	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.1	173	-65.8	-175.2	176.7	-155.6	0.6	108.5	F14	R4-F14 CarbonylContact C-O 3.59Å; R4-F14 WeakPolarHBondContact CA-O 3.46Å
5	F	93.1	Very high	89.3	Confident	47 Å²	47	101.8 Å²	101.8	21%	0.206	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.5	170.9	178	-94	0	0	0	109.1	C7 S13 F14 D16 R21	F5-C7 HydrophobicContact CE1-CB 3.93Å; F5-S13 CarbonylContact O-C 3.55Å; F5-S13 VanDerWaalsContact O-CA 3.29Å; F5-S13 WeakPolarHBondContact O-CA 3.29Å; F5-F14 HydrophobicContact CB-CD2 4.29Å; F5-F14 HydrophobicContact CB-CE2 3.97Å; F5-F14 HydrophobicContact CB-CZ 4.3Å; F5-F14 HydrophobicContact CD1-CD1 4.31Å; F5-F14 HydrophobicContact CD1-CD2 4.46Å; F5-F14 AromaticContact CD1-CE1 3.48Å; F5-F14 HydrophobicContact CD1-CE1 3.48Å; F5-F14 VanDerWaalsContact CD1-CE1 3.48Å; F5-F14 AromaticContact CD1-CE2 3.64Å; F5-F14 HydrophobicContact CD1-CE2 3.64Å; F5-F14 AromaticContact CD1-CZ 3.09Å; F5-F14 HydrophobicContact CD1-CZ 3.09Å; F5-F14 AromaticContact CE1-CE1 3.97Å; F5-F14 HydrophobicContact CE1-CE1 3.97Å; F5-F14 HydrophobicContact CE1-CE2 4.5Å; F5-F14 AromaticContact CE1-CZ 3.63Å; F5-F14 HydrophobicContact CE1-CZ 3.63Å; F5-F14 HydrophobicContact CG-CE2 4.14Å; F5-F14 HydrophobicContact CG-CZ 4.03Å; F5-F14 PolarHBondContact N-O 3.16Å; F5-F14 PolarHBondContact O-N 3.4Å; F5-D16 HydrophobicContact CB-CB 4.15Å; F5-R21 HydrophobicContact CD1-CG 4.25Å; F5-R21 HydrophobicContact CD2-CG 4Å; F5-R21 HydrophobicContact CE1-CG 4.03Å; F5-R21 HydrophobicContact CE2-CG 3.83Å; F5-R21 HydrophobicContact CG-CG 4.18Å; F5-R21 HydrophobicContact CZ-CG 3.83Å
6	I	93.7	Very high	89.2	Confident	106 Å²	106	99.1 Å²	99.1	54%	0.544	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.1	177.4	-57	169.3	0	0	0	106.9
7	C	95.3	Very high	89.3	Confident	5 Å²	5	96.7 Å²	96.7	3%	0.034	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.2	173.2	-178.5	0	0	0	0	110.9	F5 Y9 C10 D11 K12 H24 H30	F5-C7 HydrophobicContact CE1-CB 3.93Å; C7-Y9 VanDerWaalsContact C-N 3.29Å; C7-Y9 PolarHBondContact O-N 3.47Å; C7-C10 HydrophobicContact CB-CB 4Å; C7-C10 PolarHBondContact O-N 3.06Å; C7-D11 PolarHBondContact O-N 3.4Å; C7-K12 PolarHBondContact N-O 3.33Å; C7-H24 WeakPolarHBondContact CB-NE2 3.33Å; C7-H24 PolarHBondContact SG-NE2 3.47Å; C7-H30 VanDerWaalsContact SG-CE1 3.54Å; C7-H30 PolarHBondContact SG-ND1 3.32Å
8	D	94.6	Very high	89.4	Confident	132 Å²	132	95.7 Å²	95.7	71%	0.706	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-28.7	-177	-51.6	-34	0	0	0	113.6	C10	D8-C10 VanDerWaalsContact C-N 3.31Å
9	Y	94.8	Very high	89.5	Confident	75 Å²	75	95.9 Å²	95.9	29%	0.294	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-26	175.9	-57.5	-71.3	0	0	0	112.6	C7 H30 A33 R34 H37 Y38	C7-Y9 VanDerWaalsContact C-N 3.29Å; C7-Y9 PolarHBondContact O-N 3.47Å; Y9-H30 AromaticContact CD2-CE1 3.54Å; Y9-A33 VanDerWaalsContact O-CB 3.25Å; Y9-A33 WeakPolarHBondContact O-CB 3.34Å; Y9-R34 HydrophobicContact CD1-CB 4.36Å; Y9-R34 HydrophobicContact CD1-CG 4.41Å; Y9-R34 HydrophobicContact CE1-CG 4.23Å; Y9-R34 HydrophobicContact CG-CB 4.35Å; Y9-H37 HydrophobicContact CD1-CB 3.98Å; Y9-H37 AromaticContact CD1-CG 3.98Å; Y9-H37 HydrophobicContact CE1-CB 4.28Å; Y9-H37 AromaticContact CE1-CG 3.94Å; Y9-H37 AromaticContact CE1-ND1 3.92Å; Y9-Y38 HydrophobicContact CE1-CE2 4.33Å; Y9-Y38 PolarHBondContact OH-OH 3.34Å
10	C	94.2	Very high	89.6	Confident	14 Å²	14	94.9 Å²	94.9	10%	0.095	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-7.9	-168.9	-87.9	0	0	0	0	113.6	C7 D8 K12	C7-C10 HydrophobicContact CB-CB 4Å; C7-C10 PolarHBondContact O-N 3.06Å; D8-C10 VanDerWaalsContact C-N 3.31Å; C10-K12 HydrophobicContact CB-CB 4.4Å; C10-K12 WeakPolarHBondContact O-CG 3.35Å; C10-K12 PolarHBondContact O-N 2.83Å; C10-K12 VanDerWaalsContact O-N 3.14Å; C10-K12 PolarHBondContact O-NZ 3.21Å
11	D	92.6	Very high	89.7	Confident	147 Å²	147	94.1 Å²	94.1	79%	0.786	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	38.5	-172.3	-62.8	-37.6	0	0	0	113.6	C7	C7-D11 PolarHBondContact O-N 3.4Å
12	K	90.4	Very high	91.2	Very high	87 Å²	87	89.9 Å²	89.9	38%	0.378	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.7	-177.5	-80.8	179.3	-75.9	-65.4	0	110.6	C7 C10	C7-K12 PolarHBondContact N-O 3.33Å; C10-K12 HydrophobicContact CB-CB 4.4Å; C10-K12 WeakPolarHBondContact O-CG 3.35Å; C10-K12 PolarHBondContact O-N 2.83Å; C10-K12 VanDerWaalsContact O-N 3.14Å; C10-K12 PolarHBondContact O-NZ 3.21Å
13	S	92.6	Very high	92.1	Very high	72 Å²	72	91.1 Å²	91.1	50%	0.503	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.4	169.9	70.4	0	0	0	0	110.8	F5	F5-S13 CarbonylContact O-C 3.55Å; F5-S13 VanDerWaalsContact O-CA 3.29Å; F5-S13 WeakPolarHBondContact O-CA 3.29Å
14	F	91.5	Very high	92.5	Very high	36 Å²	36	82.8 Å²	82.8	16%	0.158	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.4	177.7	54.2	-95.1	0	0	0	111.5	R4 F5 D16 N20 R21 H24	R4-F14 CarbonylContact C-O 3.59Å; R4-F14 WeakPolarHBondContact CA-O 3.46Å; F5-F14 HydrophobicContact CB-CD2 4.29Å; F5-F14 HydrophobicContact CB-CE2 3.97Å; F5-F14 HydrophobicContact CB-CZ 4.3Å; F5-F14 HydrophobicContact CD1-CD1 4.31Å; F5-F14 HydrophobicContact CD1-CD2 4.46Å; F5-F14 AromaticContact CD1-CE1 3.48Å; F5-F14 HydrophobicContact CD1-CE1 3.48Å; F5-F14 VanDerWaalsContact CD1-CE1 3.48Å; F5-F14 AromaticContact CD1-CE2 3.64Å; F5-F14 HydrophobicContact CD1-CE2 3.64Å; F5-F14 AromaticContact CD1-CZ 3.09Å; F5-F14 HydrophobicContact CD1-CZ 3.09Å; F5-F14 AromaticContact CE1-CE1 3.97Å; F5-F14 HydrophobicContact CE1-CE1 3.97Å; F5-F14 HydrophobicContact CE1-CE2 4.5Å; F5-F14 AromaticContact CE1-CZ 3.63Å; F5-F14 HydrophobicContact CE1-CZ 3.63Å; F5-F14 HydrophobicContact CG-CE2 4.14Å; F5-F14 HydrophobicContact CG-CZ 4.03Å; F5-F14 PolarHBondContact N-O 3.16Å; F5-F14 PolarHBondContact O-N 3.4Å; F14-D16 PolarHBondContact O-N 2.82Å; F14-N20 HydrophobicContact CE2-CB 4.37Å; F14-R21 HydrophobicContact CE2-CB 4.28Å; F14-H24 HydrophobicContact CE1-CB 3.99Å; F14-H24 AromaticContact CE1-CD2 3.93Å; F14-H24 AromaticContact CE1-CG 3.62Å; F14-H24 AromaticContact CE1-ND1 3.86Å; F14-H24 HydrophobicContact CZ-CB 3.68Å; F14-H24 AromaticContact CZ-CG 3.78Å
15	P	91.6	Very high	92.7	Very high	96 Å²	96	77.6 Å²	77.6	62%	0.623	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	129.3	176.8	-23.7	34.3	0	0	0	111.3	N17	P15-N17 PolarHBondContact O-N 3.02Å
16	D	87.6	Confident	92.7	Very high	59 Å²	59	82.2 Å²	82.2	32%	0.316	42%	0.417	S	S	.	.			trans	-74	97.5	-172.2	-169	21	0	0	0	111.6	R3 F5 F14 R21	R3-D16 HydrophobicContact CB-CB 4.14Å; R3-D16 WeakPolarHBondContact O-CB 3.28Å; R3-D16 PolarHBondContact O-N 3.01Å; F5-D16 HydrophobicContact CB-CB 4.15Å; F14-D16 PolarHBondContact O-N 2.82Å; D16-R21 IonicContact OD1-CZ 3.51Å; D16-R21 IonicContact OD1-NH1 3.04Å; D16-R21 PolarHBondContact OD1-NH1 3.05Å; D16-R21 IonicContact OD2-NH1 3.64Å
17	N	91	Very high	92.8	Very high	58 Å²	58	78.4 Å²	78.4	31%	0.31	40%	0.404	S	S	.	.			trans	-121.5	127.6	170.9	172.4	-11.1	0	0	0	108	P15 I19 N20 R21	P15-N17 PolarHBondContact O-N 3.02Å; N17-I19 PolarHBondContact O-N 2.83Å; N17-I19 VanDerWaalsContact O-N 3.16Å; N17-I19 PolarHBondContact OD1-N 2.91Å; N17-N20 HydrophobicContact CB-CB 4.03Å; N17-N20 PolarHBondContact O-N 3.34Å; N17-N20 VanDerWaalsContact O-N 3.09Å; N17-R21 WeakPolarHBondContact O-CB 3.43Å; N17-R21 PolarHBondContact O-N 2.89Å
18	P	90.7	Very high	92.7	Very high	78 Å²	78	82.6 Å²	82.6	51%	0.506	43%	0.429	S	S	.	.	H	α-helix	trans	-56.5	-32.9	-177.5	22.7	-34.7	0	0	0	113.8	R22	P18-R22 WeakPolarHBondContact O-CB 3.31Å; P18-R22 PolarHBondContact O-N 2.74Å; P18-R22 VanDerWaalsContact O-N 3.11Å
19	I	91.6	Very high	92.6	Very high	100 Å²	100	82.5 Å²	82.5	51%	0.513	42%	0.424	S	S	.	.	H	α-helix	trans	-70.2	-49.2	177.2	-62.5	165.9	0	0	0	109.9	N17 R21 R22 N23	N17-I19 PolarHBondContact O-N 2.83Å; N17-I19 VanDerWaalsContact O-N 3.16Å; N17-I19 PolarHBondContact OD1-N 2.91Å; I19-R21 VanDerWaalsContact C-N 3.33Å; I19-R21 PolarHBondContact O-N 3.27Å; I19-R22 PolarHBondContact O-N 3.3Å; I19-N23 PolarHBondContact O-N 2.69Å
20	N	91.1	Very high	92.6	Very high	76 Å²	76	79.5 Å²	79.5	41%	0.406	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-42.5	179.4	-67.2	-4	0	0	0	111.4	F14 N17 R22 N23 H24	F14-N20 HydrophobicContact CE2-CB 4.37Å; N17-N20 HydrophobicContact CB-CB 4.03Å; N17-N20 PolarHBondContact O-N 3.34Å; N17-N20 VanDerWaalsContact O-N 3.09Å; N20-R22 PolarHBondContact O-N 3.31Å; N20-N23 PolarHBondContact O-N 2.81Å; N20-H24 WeakPolarHBondContact O-CB 3.49Å; N20-H24 PolarHBondContact O-N 3.17Å
21	R	92.9	Very high	92.7	Very high	79 Å²	79	83.1 Å²	83.1	30%	0.298	43%	0.429	S	S	.	.	H	α-helix	trans	-59.6	-47.2	175.7	-176	172.7	64.5	-125.1	6.8	111.4	F5 F14 D16 N17 I19 N23 H24 L25	F5-R21 HydrophobicContact CD1-CG 4.25Å; F5-R21 HydrophobicContact CD2-CG 4Å; F5-R21 HydrophobicContact CE1-CG 4.03Å; F5-R21 HydrophobicContact CE2-CG 3.83Å; F5-R21 HydrophobicContact CG-CG 4.18Å; F5-R21 HydrophobicContact CZ-CG 3.83Å; F14-R21 HydrophobicContact CE2-CB 4.28Å; D16-R21 IonicContact OD1-CZ 3.51Å; D16-R21 IonicContact OD1-NH1 3.04Å; D16-R21 PolarHBondContact OD1-NH1 3.05Å; D16-R21 IonicContact OD2-NH1 3.64Å; N17-R21 WeakPolarHBondContact O-CB 3.43Å; N17-R21 PolarHBondContact O-N 2.89Å; I19-R21 VanDerWaalsContact C-N 3.33Å; I19-R21 PolarHBondContact O-N 3.27Å; R21-N23 PolarHBondContact O-N 3.01Å; R21-H24 PolarHBondContact O-N 2.86Å; R21-L25 HydrophobicContact CG-CD1 4.34Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.42Å; R21-L25 PolarHBondContact O-N 3.44Å
22	R	94.1	Very high	92.7	Very high	154 Å²	154	79.4 Å²	79.4	58%	0.581	41%	0.407	S	S	*	.	H	α-helix	trans	-62.5	-42.9	177.8	-172	-176.2	-67	165	-2	111.9	P18 I19 N20 L25 K26	P18-R22 WeakPolarHBondContact O-CB 3.31Å; P18-R22 PolarHBondContact O-N 2.74Å; P18-R22 VanDerWaalsContact O-N 3.11Å; I19-R22 PolarHBondContact O-N 3.3Å; N20-R22 PolarHBondContact O-N 3.31Å; R22-L25 PolarHBondContact O-N 3.13Å; R22-K26 HydrophobicContact CG-CD 4.32Å; R22-K26 WeakPolarHBondContact O-CG 3.31Å; R22-K26 PolarHBondContact O-N 3.46Å; R22-K26 VanDerWaalsContact O-N 3.11Å
23	N	94.5	Very high	93	Very high	98 Å²	98	76.6 Å²	76.6	52%	0.524	40%	0.399	S	S	.	.	H	α-helix	trans	-65.9	-39.9	178.6	-69.6	-9.2	0	0	0	111.6	I19 N20 R21 K26 G27	I19-N23 PolarHBondContact O-N 2.69Å; N20-N23 PolarHBondContact O-N 2.81Å; R21-N23 PolarHBondContact O-N 3.01Å; N23-K26 PolarHBondContact O-N 2.99Å; N23-G27 PolarHBondContact O-N 3.06Å
24	H	94.6	Very high	93.1	Very high	36 Å²	36	79.1 Å²	79.1	17%	0.167	40%	0.398	C	S	.	.	H	α-helix	trans	-59.2	-50.7	173.9	173.7	77.9	0	0	0	111.9	C7 F14 N20 R21 K26 G27 H30	C7-H24 WeakPolarHBondContact CB-NE2 3.33Å; C7-H24 PolarHBondContact SG-NE2 3.47Å; F14-H24 HydrophobicContact CE1-CB 3.99Å; F14-H24 AromaticContact CE1-CD2 3.93Å; F14-H24 AromaticContact CE1-CG 3.62Å; F14-H24 AromaticContact CE1-ND1 3.86Å; F14-H24 HydrophobicContact CZ-CB 3.68Å; F14-H24 AromaticContact CZ-CG 3.78Å; N20-H24 WeakPolarHBondContact O-CB 3.49Å; N20-H24 PolarHBondContact O-N 3.17Å; R21-H24 PolarHBondContact O-N 2.86Å; H24-K26 PolarHBondContact O-N 2.93Å; H24-G27 PolarHBondContact O-N 2.9Å; H24-H30 AromaticContact CD2-ND1 3.94Å; H24-H30 AromaticContact NE2-ND1 3.5Å; H24-H30 VanDerWaalsContact O-CB 3.23Å; H24-H30 WeakPolarHBondContact O-CB 3.39Å
25	L	93.8	Very high	93.2	Very high	74 Å²	74	80.4 Å²	80.4	39%	0.387	40%	0.403	S	S	.	.	H	α-helix	trans	-63.2	-29.4	-179.6	-65.6	175.3	0	0	0	113	R21 R22 H30	R21-L25 HydrophobicContact CG-CD1 4.34Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.42Å; R21-L25 PolarHBondContact O-N 3.44Å; R22-L25 PolarHBondContact O-N 3.13Å; L25-H30 WeakPolarHBondContact CD2-CE1 3.39Å; L25-H30 PolarHBondContact O-CD2 3.34Å
26	K	94.6	Very high	93.3	Very high	145 Å²	145	81.3 Å²	81.3	63%	0.63	40%	0.402	S	S	*	.	H	α-helix	trans	-85.5	-7.9	175.1	-68.6	-178.5	179.1	-170.3	0	113.5	R22 N23 H24	R22-K26 HydrophobicContact CG-CD 4.32Å; R22-K26 WeakPolarHBondContact O-CG 3.31Å; R22-K26 PolarHBondContact O-N 3.46Å; R22-K26 VanDerWaalsContact O-N 3.11Å; N23-K26 PolarHBondContact O-N 2.99Å; H24-K26 PolarHBondContact O-N 2.93Å
27	G	93.9	Very high	93.6	Very high	26 Å²	26	82.4 Å²	82.4	27%	0.268	41%	0.405	S	S	.	.	S	Bend	trans	-68.9	144.3	-178.9	0	0	0	0	0	112.2	N23 H24 Q29 H30 Q31	N23-G27 PolarHBondContact O-N 3.06Å; H24-G27 PolarHBondContact O-N 2.9Å; G27-Q29 PolarHBondContact O-N 3.18Å; G27-H30 PolarHBondContact O-N 3.44Å; G27-H30 VanDerWaalsContact O-N 3.09Å; G27-Q31 PolarHBondContact O-N 3.13Å
28	V	93.7	Very high	93.7	Very high	92 Å²	92	85 Å²	85	56%	0.558	41%	0.411	S	S	*	.	H	α-helix	trans	-57.4	-37	179.3	-65.4	0	0	0	0	112.5	H30 Q31 Q32	V28-H30 PolarHBondContact O-N 3Å; V28-Q31 PolarHBondContact O-N 2.92Å; V28-Q32 WeakPolarHBondContact O-CB 3.49Å; V28-Q32 VanDerWaalsContact O-CG 3.24Å; V28-Q32 WeakPolarHBondContact O-CG 3.37Å; V28-Q32 PolarHBondContact O-N 2.99Å
29	Q	93.2	Very high	93.7	Very high	130 Å²	130	83.3 Å²	83.3	61%	0.607	40%	0.398	S	S	*	.	H	α-helix	trans	-63.1	-43	177.6	-66.5	-177.2	-6.3	0	0	111.7	G27 Q32 A33	G27-Q29 PolarHBondContact O-N 3.18Å; Q29-Q32 PolarHBondContact O-N 3.14Å; Q29-A33 WeakPolarHBondContact O-CB 3.36Å; Q29-A33 PolarHBondContact O-N 3.02Å
30	H	95.1	Very high	93.7	Very high	12 Å²	12	86.7 Å²	86.7	6%	0.056	41%	0.409	C	S	.	.	H	α-helix	trans	-65	-43.8	176.5	178.5	90.8	0	0	0	111	C7 Y9 H24 L25 G27 V28 Q32 A33 R34	C7-H30 VanDerWaalsContact SG-CE1 3.54Å; C7-H30 PolarHBondContact SG-ND1 3.32Å; Y9-H30 AromaticContact CD2-CE1 3.54Å; H24-H30 AromaticContact CD2-ND1 3.94Å; H24-H30 AromaticContact NE2-ND1 3.5Å; H24-H30 VanDerWaalsContact O-CB 3.23Å; H24-H30 WeakPolarHBondContact O-CB 3.39Å; L25-H30 WeakPolarHBondContact CD2-CE1 3.39Å; L25-H30 PolarHBondContact O-CD2 3.34Å; G27-H30 PolarHBondContact O-N 3.44Å; G27-H30 VanDerWaalsContact O-N 3.09Å; V28-H30 PolarHBondContact O-N 3Å; H30-Q32 PolarHBondContact O-N 3.27Å; H30-A33 PolarHBondContact O-N 2.93Å; H30-R34 WeakPolarHBondContact O-CB 3.39Å; H30-R34 PolarHBondContact O-N 2.97Å
31	Q	94.9	Very high	93.8	Very high	91 Å²	91	89.5 Å²	89.5	43%	0.425	42%	0.418	S	S	.	.	H	α-helix	trans	-62	-42.1	177.1	-67.5	178.6	-13.1	0	0	112.3	G27 V28 K35	G27-Q31 PolarHBondContact O-N 3.13Å; V28-Q31 PolarHBondContact O-N 2.92Å; Q31-K35 WeakPolarHBondContact O-CB 3.47Å; Q31-K35 PolarHBondContact O-N 3.03Å
32	Q	94.2	Very high	93.7	Very high	69 Å²	69	88.1 Å²	88.1	32%	0.322	42%	0.416	S	S	.	.	H	α-helix	trans	-62.7	-50.1	175.1	-74.1	176.8	20.9	0	0	111.6	V28 Q29 H30 R34 K35 L36 P70 L71	V28-Q32 WeakPolarHBondContact O-CB 3.49Å; V28-Q32 VanDerWaalsContact O-CG 3.24Å; V28-Q32 WeakPolarHBondContact O-CG 3.37Å; V28-Q32 PolarHBondContact O-N 2.99Å; Q29-Q32 PolarHBondContact O-N 3.14Å; H30-Q32 PolarHBondContact O-N 3.27Å; Q32-R34 VanDerWaalsContact C-N 3.34Å; Q32-R34 PolarHBondContact O-N 3.23Å; Q32-K35 PolarHBondContact O-N 3Å; Q32-L36 WeakPolarHBondContact O-CB 3.31Å; Q32-L36 PolarHBondContact O-N 3.49Å; Q32-P70 HydrophobicContact CB-CG 3.89Å; Q32-P70 HydrophobicContact CG-CG 3.88Å; Q32-L71 HydrophobicContact CG-CD1 3.53Å; Q32-L71 HydrophobicContact CG-CG 3.68Å
33	A	94.9	Very high	93.6	Very high	27 Å²	27	85.9 Å²	85.9	22%	0.223	42%	0.416	C	S	.	.	H	α-helix	trans	-64	-41.4	-179.1	0	0	0	0	0	111.7	Y9 Q29 H30 K35 L36 H37	Y9-A33 VanDerWaalsContact O-CB 3.25Å; Y9-A33 WeakPolarHBondContact O-CB 3.34Å; Q29-A33 WeakPolarHBondContact O-CB 3.36Å; Q29-A33 PolarHBondContact O-N 3.02Å; H30-A33 PolarHBondContact O-N 2.93Å; A33-K35 PolarHBondContact O-N 2.87Å; A33-L36 PolarHBondContact O-N 3.45Å; A33-H37 WeakPolarHBondContact O-CB 3.27Å; A33-H37 PolarHBondContact O-N 3.32Å
34	R	95.3	Very high	93.5	Very high	126 Å²	126	81.9 Å²	81.9	48%	0.475	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-46.2	173.5	-175.8	179.2	172.7	-167.6	-2.3	111.3	Y9 H30 Q32 H37 Y38	Y9-R34 HydrophobicContact CD1-CB 4.36Å; Y9-R34 HydrophobicContact CD1-CG 4.41Å; Y9-R34 HydrophobicContact CE1-CG 4.23Å; Y9-R34 HydrophobicContact CG-CB 4.35Å; H30-R34 WeakPolarHBondContact O-CB 3.39Å; H30-R34 PolarHBondContact O-N 2.97Å; Q32-R34 VanDerWaalsContact C-N 3.34Å; Q32-R34 PolarHBondContact O-N 3.23Å; R34-H37 WeakPolarHBondContact O-CB 3.19Å; R34-H37 PolarHBondContact O-N 3.07Å; R34-Y38 HydrophobicContact CG-CD2 3.94Å; R34-Y38 HydrophobicContact CG-CE2 3.68Å; R34-Y38 WeakPolarHBondContact O-CD2 3.41Å; R34-Y38 PolarHBondContact O-N 3.49Å; R34-Y38 VanDerWaalsContact O-N 3.17Å
35	K	93.8	Very high	93.4	Very high	62 Å²	62	86 Å²	86	27%	0.27	41%	0.413	S	S	.	.	H	α-helix	trans	-61	-48.1	177.6	-179.4	174.6	177.9	178.8	0	111.4	Q31 Q32 A33 H37 Y38 D39 P70 L71	Q31-K35 WeakPolarHBondContact O-CB 3.47Å; Q31-K35 PolarHBondContact O-N 3.03Å; Q32-K35 PolarHBondContact O-N 3Å; A33-K35 PolarHBondContact O-N 2.87Å; K35-H37 VanDerWaalsContact C-N 3.25Å; K35-H37 PolarHBondContact O-N 2.93Å; K35-Y38 PolarHBondContact O-N 3.29Å; K35-D39 WeakPolarHBondContact CG-OD2 3.48Å; K35-D39 WeakPolarHBondContact O-CB 3.33Å; K35-D39 PolarHBondContact O-N 3.45Å; K35-P70 VanDerWaalsContact CD-O 3.28Å; K35-P70 WeakPolarHBondContact CD-O 3.39Å; K35-P70 WeakPolarHBondContact CE-O 3.4Å; K35-P70 PolarHBondContact NZ-O 3.33Å; K35-L71 HydrophobicContact CD-CD2 3.96Å
36	L	93	Very high	93.3	Very high	115 Å²	115	87.2 Å²	87.2	60%	0.602	42%	0.416	S	S	*	.	H	α-helix	trans	-59.4	-38.7	178.8	-171.9	69.9	0	0	0	111.9	Q32 A33 D39 K40	Q32-L36 WeakPolarHBondContact O-CB 3.31Å; Q32-L36 PolarHBondContact O-N 3.49Å; A33-L36 PolarHBondContact O-N 3.45Å; L36-D39 PolarHBondContact O-N 3.34Å; L36-K40 PolarHBondContact O-N 3.01Å
37	H	94.6	Very high	93.2	Very high	83 Å²	83	82.1 Å²	82.1	38%	0.384	39%	0.394	S	S	.	.	H	α-helix	trans	-58.8	-54.3	175.1	176.7	-82.2	0	0	0	111.2	Y9 A33 R34 K35 D39 K40 F41	Y9-H37 HydrophobicContact CD1-CB 3.98Å; Y9-H37 AromaticContact CD1-CG 3.98Å; Y9-H37 HydrophobicContact CE1-CB 4.28Å; Y9-H37 AromaticContact CE1-CG 3.94Å; Y9-H37 AromaticContact CE1-ND1 3.92Å; A33-H37 WeakPolarHBondContact O-CB 3.27Å; A33-H37 PolarHBondContact O-N 3.32Å; R34-H37 WeakPolarHBondContact O-CB 3.19Å; R34-H37 PolarHBondContact O-N 3.07Å; K35-H37 VanDerWaalsContact C-N 3.25Å; K35-H37 PolarHBondContact O-N 2.93Å; H37-D39 PolarHBondContact O-N 3.04Å; H37-K40 WeakPolarHBondContact O-CB 3.44Å; H37-K40 PolarHBondContact O-N 2.99Å; H37-F41 AromaticContact CE1-CE2 3.62Å; H37-F41 AromaticContact NE2-CE2 3.65Å; H37-F41 WeakPolarHBondContact O-CD2 3.38Å
38	Y	93	Very high	93.1	Very high	111 Å²	111	82 Å²	82	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-67.4	-35.5	179.8	-72.1	-72.1	0	0	0	112.8	Y9 R34 K35 K40 F41 L42	Y9-Y38 HydrophobicContact CE1-CE2 4.33Å; Y9-Y38 PolarHBondContact OH-OH 3.34Å; R34-Y38 HydrophobicContact CG-CD2 3.94Å; R34-Y38 HydrophobicContact CG-CE2 3.68Å; R34-Y38 WeakPolarHBondContact O-CD2 3.41Å; R34-Y38 PolarHBondContact O-N 3.49Å; R34-Y38 VanDerWaalsContact O-N 3.17Å; K35-Y38 PolarHBondContact O-N 3.29Å; Y38-K40 PolarHBondContact O-N 3.47Å; Y38-K40 VanDerWaalsContact O-N 3.13Å; Y38-F41 PolarHBondContact O-N 3.41Å; Y38-L42 PolarHBondContact O-N 2.96Å
39	D	91.4	Very high	93	Very high	43 Å²	43	80.8 Å²	80.8	23%	0.23	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-27.3	177	-85.7	-34	0	0	0	112.9	K35 L36 H37 F41 L42 K47	K35-D39 WeakPolarHBondContact CG-OD2 3.48Å; K35-D39 WeakPolarHBondContact O-CB 3.33Å; K35-D39 PolarHBondContact O-N 3.45Å; L36-D39 PolarHBondContact O-N 3.34Å; H37-D39 PolarHBondContact O-N 3.04Å; D39-F41 VanDerWaalsContact C-N 3.34Å; D39-L42 WeakPolarHBondContact OD1-CD1 3.27Å; D39-K47 VanDerWaalsContact CG-NZ 3.27Å; D39-K47 IonicContact OD1-NZ 2.73Å; D39-K47 PolarHBondContact OD1-NZ 3.42Å; D39-K47 IonicContact OD2-NZ 3.77Å
40	K	90.5	Very high	92.9	Very high	172 Å²	172	77 Å²	77	75%	0.748	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-26.4	176.7	-170.3	-179.8	178.9	-171.2	0	113.4	L36 H37 Y38	L36-K40 PolarHBondContact O-N 3.01Å; H37-K40 WeakPolarHBondContact O-CB 3.44Å; H37-K40 PolarHBondContact O-N 2.99Å; Y38-K40 PolarHBondContact O-N 3.47Å; Y38-K40 VanDerWaalsContact O-N 3.13Å
41	F	93	Very high	92.6	Very high	135 Å²	135	77.4 Å²	77.4	59%	0.592	37%	0.368	S	S	*	.	S	Bend	trans	-105.5	4.7	-176.7	-60.2	-77.4	0	0	0	113	H37 Y38 D39	H37-F41 AromaticContact CE1-CE2 3.62Å; H37-F41 AromaticContact NE2-CE2 3.65Å; H37-F41 WeakPolarHBondContact O-CD2 3.38Å; Y38-F41 PolarHBondContact O-N 3.41Å; D39-F41 VanDerWaalsContact C-N 3.34Å
42	L	92.2	Very high	92.3	Very high	49 Å²	49	78.2 Å²	78.2	26%	0.257	37%	0.37	S	S	.	.	S	Bend	trans	-69.6	136	173.6	-73.5	176.7	0	0	0	110.3	Y38 D39 K47 I50	Y38-L42 PolarHBondContact O-N 2.96Å; D39-L42 WeakPolarHBondContact OD1-CD1 3.27Å; L42-K47 HydrophobicContact CD1-CD 3.96Å; L42-I50 HydrophobicContact CD1-CD1 4.49Å
43	D	92.1	Very high	92.1	Very high	108 Å²	108	79.6 Å²	79.6	58%	0.578	39%	0.388	S	S	*	.			trans	-60.1	138.9	173.1	-73.7	-24	0	0	0	109.8	K45 E46 K47	D43-K45 PolarHBondContact O-N 2.81Å; D43-K45 VanDerWaalsContact O-N 3.14Å; D43-E46 HydrophobicContact CB-CB 4.37Å; D43-E46 PolarHBondContact O-N 3.14Å; D43-K47 PolarHBondContact O-N 3.32Å
44	P	91.4	Very high	91.9	Very high	13 Å²	13	81 Å²	81	8%	0.084	39%	0.388	C	S	.	.	H	α-helix	trans	-52.6	-37.5	178.9	-32.3	39.5	0	0	0	113.7	K47 L48 R88 E92	P44-K47 PolarHBondContact O-N 2.94Å; P44-L48 VanDerWaalsContact O-CB 3.24Å; P44-L48 WeakPolarHBondContact O-CB 3.47Å; P44-L48 PolarHBondContact O-N 2.84Å; P44-R88 HydrophobicContact CB-CG 4.19Å; P44-R88 HydrophobicContact CG-CG 4Å; P44-E92 WeakPolarHBondContact CD-OE2 3.41Å; P44-E92 WeakPolarHBondContact CG-OE1 3.36Å; P44-E92 WeakPolarHBondContact CG-OE2 3.42Å
45	K	92.2	Very high	91.7	Very high	123 Å²	123	82.5 Å²	82.5	54%	0.535	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-45	175.9	-173.6	178.8	177.9	-178.7	0	112.4	D43 S49 S89 L93	D43-K45 PolarHBondContact O-N 2.81Å; D43-K45 VanDerWaalsContact O-N 3.14Å; K45-S49 PolarHBondContact O-N 3.36Å; K45-S89 WeakPolarHBondContact CA-OG 3.3Å; K45-S89 WeakPolarHBondContact CB-OG 3.39Å; K45-L93 HydrophobicContact CD-CD1 4.42Å; K45-L93 HydrophobicContact CD-CD2 4.4Å
46	E	93.2	Very high	91.6	Very high	99 Å²	99	83.3 Å²	83.3	46%	0.463	41%	0.41	S	S	.	.	H	α-helix	trans	-71.2	-40.1	178.9	-168.9	179.1	176.7	0	0	111	D43 L48 S49 I50	D43-E46 HydrophobicContact CB-CB 4.37Å; D43-E46 PolarHBondContact O-N 3.14Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 3.19Å; E46-S49 PolarHBondContact O-N 2.92Å; E46-S49 PolarHBondContact O-OG 3.1Å; E46-I50 HydrophobicContact CG-CD1 3.93Å; E46-I50 HydrophobicContact CG-CG1 4.48Å; E46-I50 WeakPolarHBondContact O-CB 3.4Å; E46-I50 VanDerWaalsContact O-CG1 3.28Å; E46-I50 WeakPolarHBondContact O-CG1 3.34Å; E46-I50 PolarHBondContact O-N 3.19Å
47	K	92.1	Very high	91.6	Very high	39 Å²	39	78.1 Å²	78.1	17%	0.17	38%	0.384	C	S	.	.	H	α-helix	trans	-58.2	-46	174	-170.2	68.2	175.6	-174.4	0	111	D39 L42 D43 P44 I50 E51	D39-K47 VanDerWaalsContact CG-NZ 3.27Å; D39-K47 IonicContact OD1-NZ 2.73Å; D39-K47 PolarHBondContact OD1-NZ 3.42Å; D39-K47 IonicContact OD2-NZ 3.77Å; L42-K47 HydrophobicContact CD1-CD 3.96Å; D43-K47 PolarHBondContact O-N 3.32Å; P44-K47 PolarHBondContact O-N 2.94Å; K47-I50 PolarHBondContact O-N 2.92Å; K47-E51 HydrophobicContact CD-CG 4.47Å; K47-E51 HydrophobicContact CG-CG 4.49Å; K47-E51 WeakPolarHBondContact O-CB 3.43Å; K47-E51 VanDerWaalsContact O-CG 3.25Å; K47-E51 WeakPolarHBondContact O-CG 3.33Å; K47-E51 PolarHBondContact O-N 2.73Å
48	L	91	Very high	91.5	Very high	23 Å²	23	80.2 Å²	80.2	12%	0.12	40%	0.396	C	S	.	.	H	α-helix	trans	-64.7	-41	178.8	179.8	145.2	0	0	0	112.3	P44 E46 E51 K52 L85 E86	P44-L48 VanDerWaalsContact O-CB 3.24Å; P44-L48 WeakPolarHBondContact O-CB 3.47Å; P44-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 3.19Å; L48-E51 PolarHBondContact O-N 2.95Å; L48-K52 HydrophobicContact CD2-CD 3.63Å; L48-K52 HydrophobicContact CD2-CG 4.26Å; L48-K52 HydrophobicContact CG-CD 4.1Å; L48-K52 HydrophobicContact CG-CG 4.32Å; L48-K52 VanDerWaalsContact O-CB 3.28Å; L48-K52 WeakPolarHBondContact O-CB 3.11Å; L48-K52 WeakPolarHBondContact O-CG 3.48Å; L48-K52 PolarHBondContact O-N 3Å; L48-L85 HydrophobicContact CD1-CB 4.32Å; L48-E86 VanDerWaalsContact CD1-CA 3.4Å; L48-E86 HydrophobicContact CD1-CB 3.56Å; L48-E86 HydrophobicContact CD1-CG 4.11Å
49	S	92.3	Very high	91.4	Very high	66 Å²	66	78.6 Å²	78.6	46%	0.462	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-43.8	177.9	70.4	0	0	0	0	111.8	K45 E46 S53	K45-S49 PolarHBondContact O-N 3.36Å; E46-S49 PolarHBondContact O-N 2.92Å; E46-S49 PolarHBondContact O-OG 3.1Å; S49-S53 WeakPolarHBondContact O-CB 3.2Å; S49-S53 PolarHBondContact O-N 3.45Å; S49-S53 VanDerWaalsContact O-N 3.07Å
50	I	91.7	Very high	91.5	Very high	52 Å²	52	79.6 Å²	79.6	27%	0.267	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-47.9	176.1	-69.9	168.9	0	0	0	110.1	L42 E46 K47 S53 K54	L42-I50 HydrophobicContact CD1-CD1 4.49Å; E46-I50 HydrophobicContact CG-CD1 3.93Å; E46-I50 HydrophobicContact CG-CG1 4.48Å; E46-I50 WeakPolarHBondContact O-CB 3.4Å; E46-I50 VanDerWaalsContact O-CG1 3.28Å; E46-I50 WeakPolarHBondContact O-CG1 3.34Å; E46-I50 PolarHBondContact O-N 3.19Å; K47-I50 PolarHBondContact O-N 2.92Å; I50-S53 PolarHBondContact O-N 3.18Å; I50-S53 PolarHBondContact O-OG 2.93Å; I50-K54 VanDerWaalsContact CG2-CE 3.46Å; I50-K54 WeakPolarHBondContact O-CG 3.34Å; I50-K54 PolarHBondContact O-N 3.31Å
51	E	88.6	Confident	91.5	Very high	19 Å²	19	80.3 Å²	80.3	9%	0.089	40%	0.398	C	S	.	.	H	α-helix	trans	-72.6	-37.8	-176.8	-66.4	-61.1	125.4	0	0	112.8	K47 L48 S53 K54 S75 L77	K47-E51 HydrophobicContact CD-CG 4.47Å; K47-E51 HydrophobicContact CG-CG 4.49Å; K47-E51 WeakPolarHBondContact O-CB 3.43Å; K47-E51 VanDerWaalsContact O-CG 3.25Å; K47-E51 WeakPolarHBondContact O-CG 3.33Å; K47-E51 PolarHBondContact O-N 2.73Å; L48-E51 PolarHBondContact O-N 2.95Å; E51-S53 VanDerWaalsContact C-N 3.27Å; E51-S53 PolarHBondContact O-N 2.89Å; E51-K54 PolarHBondContact O-N 3.1Å; E51-K54 IonicContact OE1-NZ 2.69Å; E51-K54 PolarHBondContact OE1-NZ 2.89Å; E51-S75 WeakPolarHBondContact OE2-CA 3.38Å; E51-S75 VanDerWaalsContact OE2-CB 3.23Å; E51-S75 WeakPolarHBondContact OE2-CB 3.48Å; E51-S75 PolarHBondContact OE2-OG 3.4Å; E51-L77 HydrophobicContact CB-CD1 3.55Å; E51-L77 HydrophobicContact CB-CG 4.3Å; E51-L77 HydrophobicContact CG-CD1 3.63Å; E51-L77 HydrophobicContact CG-CG 4.13Å
52	K	87.9	Confident	91.5	Very high	109 Å²	109	79.8 Å²	79.8	47%	0.474	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-29.2	173.7	-76.4	-172	179.9	-178	0	112.7	L48 K54 E86	L48-K52 HydrophobicContact CD2-CD 3.63Å; L48-K52 HydrophobicContact CD2-CG 4.26Å; L48-K52 HydrophobicContact CG-CD 4.1Å; L48-K52 HydrophobicContact CG-CG 4.32Å; L48-K52 VanDerWaalsContact O-CB 3.28Å; L48-K52 WeakPolarHBondContact O-CB 3.11Å; L48-K52 WeakPolarHBondContact O-CG 3.48Å; L48-K52 PolarHBondContact O-N 3Å; K52-K54 VanDerWaalsContact C-N 3.3Å; K52-E86 IonicContact NZ-OE1 2.74Å; K52-E86 PolarHBondContact NZ-OE1 3.5Å; K52-E86 IonicContact NZ-OE2 2.63Å
53	S	90.4	Very high	91.5	Very high	98 Å²	98	81.5 Å²	81.5	69%	0.685	41%	0.414	S	S	*	.	H	α-helix	trans	-73.6	-21.5	176.5	75.1	0	0	0	0	113.5	S49 I50 E51	S49-S53 WeakPolarHBondContact O-CB 3.2Å; S49-S53 PolarHBondContact O-N 3.45Å; S49-S53 VanDerWaalsContact O-N 3.07Å; I50-S53 PolarHBondContact O-N 3.18Å; I50-S53 PolarHBondContact O-OG 2.93Å; E51-S53 VanDerWaalsContact C-N 3.27Å; E51-S53 PolarHBondContact O-N 2.89Å
54	K	90.4	Very high	91.4	Very high	55 Å²	55	78.6 Å²	78.6	24%	0.239	41%	0.41	C	S	.	.	S	Bend	trans	-88.5	143.3	179.5	-66.5	170.6	-166.9	167.1	0	110.4	I50 E51 K52	I50-K54 VanDerWaalsContact CG2-CE 3.46Å; I50-K54 WeakPolarHBondContact O-CG 3.34Å; I50-K54 PolarHBondContact O-N 3.31Å; E51-K54 PolarHBondContact O-N 3.1Å; E51-K54 IonicContact OE1-NZ 2.69Å; E51-K54 PolarHBondContact OE1-NZ 2.89Å; K52-K54 VanDerWaalsContact C-N 3.3Å
55	K	91.1	Very high	91.4	Very high	159 Å²	159	82.7 Å²	82.7	69%	0.691	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-68.5	146	167.6	-64.4	-176.6	-179.8	-179.7	0	109.8	Y74 S75	K55-Y74 HydrophobicContact CB-CD1 4.08Å; K55-Y74 HydrophobicContact CB-CE1 4.4Å; K55-Y74 CarbonylContact O-C 3.59Å; K55-Y74 WeakPolarHBondContact O-CA 3.46Å; K55-Y74 VanDerWaalsContact O-CB 3.29Å; K55-Y74 WeakPolarHBondContact O-CB 3.3Å; K55-S75 PolarHBondContact O-N 3.07Å
56	P	91.4	Very high	91.4	Very high	78 Å²	78	78 Å²	78	51%	0.506	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-65.2	141.4	177.1	27	-34.4	0	0	0	111.1	I58	P56-I58 PolarHBondContact O-N 3.29Å
57	C	93.6	Very high	91.4	Very high	7 Å²	7	79.4 Å²	79.4	5%	0.047	43%	0.433	C	S	.	.			trans	-74	111.3	177.8	-173.6	0	0	0	0	110.1	T59 F60 R61 S75 H76	C57-T59 VanDerWaalsContact C-N 3.34Å; C57-T59 PolarHBondContact O-N 3.19Å; C57-F60 HydrophobicContact CB-CB 3.84Å; C57-F60 PolarHBondContact O-N 2.92Å; C57-R61 WeakPolarHBondContact O-CB 3.15Å; C57-R61 PolarHBondContact O-N 3.49Å; C57-S75 WeakPolarHBondContact CB-O 3.41Å; C57-S75 PolarHBondContact N-O 3.32Å; C57-H76 WeakPolarHBondContact CB-CD2 3.29Å
58	I	91.6	Very high	91.3	Very high	126 Å²	126	84 Å²	84	65%	0.646	45%	0.453	S	S	*	.	H	α-helix	trans	-61.9	-43.3	-179.2	-58	169.3	0	0	0	110.8	P56 R61 N62	P56-I58 PolarHBondContact O-N 3.29Å; I58-R61 PolarHBondContact O-N 2.87Å; I58-N62 WeakPolarHBondContact O-CB 3.32Å; I58-N62 VanDerWaalsContact O-CG 3.28Å; I58-N62 PolarHBondContact O-N 3.38Å
59	T	92.2	Very high	91.1	Very high	77 Å²	77	84.1 Å²	84.1	47%	0.472	46%	0.46	S	S	.	.	H	α-helix	trans	-60.8	-53.4	179.3	-47	0	0	0	0	110.6	C57 R61 N62 T63	C57-T59 VanDerWaalsContact C-N 3.34Å; C57-T59 PolarHBondContact O-N 3.19Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 3.16Å; T59-N62 PolarHBondContact O-N 3.39Å; T59-N62 VanDerWaalsContact O-N 3.14Å; T59-T63 PolarHBondContact O-N 2.9Å; T59-T63 PolarHBondContact O-OG1 3.37Å
60	F	93.3	Very high	90.9	Very high	64 Å²	64	83.2 Å²	83.2	28%	0.281	45%	0.453	S	S	.	.	H	α-helix	trans	-59.8	-39.9	179.1	-172.2	-102.2	0	0	0	112.2	C57 N62 G64 C66 H76	C57-F60 HydrophobicContact CB-CB 3.84Å; C57-F60 PolarHBondContact O-N 2.92Å; F60-N62 VanDerWaalsContact C-N 3.33Å; F60-N62 PolarHBondContact O-N 3.27Å; F60-G64 WeakPolarHBondContact CE2-O 3.44Å; F60-G64 WeakPolarHBondContact O-CA 3.12Å; F60-G64 PolarHBondContact O-N 2.88Å; F60-C66 HydrophobicContact CB-CB 4.25Å; F60-C66 HydrophobicContact CD2-CB 4.08Å; F60-H76 HydrophobicContact CD1-CB 3.71Å; F60-H76 AromaticContact CD1-CG 3.86Å; F60-H76 HydrophobicContact CE1-CB 3.8Å; F60-H76 WeakPolarHBondContact CE1-O 3.43Å; F60-H76 HydrophobicContact CG-CB 4.15Å; F60-H76 AromaticContact CG-CD2 3.77Å; F60-H76 AromaticContact CG-CG 3.77Å; F60-H76 HydrophobicContact CZ-CB 4.31Å
61	R	90.9	Very high	90.8	Very high	188 Å²	188	84 Å²	84	71%	0.709	46%	0.457	S	S	*	.	H	α-helix	trans	-64.8	-35.2	178.1	-174.2	174.4	179.1	-179.7	-0.7	113.1	C57 I58 T59	C57-R61 WeakPolarHBondContact O-CB 3.15Å; C57-R61 PolarHBondContact O-N 3.49Å; I58-R61 PolarHBondContact O-N 2.87Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 3.16Å
62	N	92.2	Very high	91	Very high	124 Å²	124	83.4 Å²	83.4	66%	0.663	46%	0.455	S	S	*	.	H	α-helix	trans	-89	-38.9	-176.6	-67.9	-7.2	0	0	0	112.9	I58 T59 F60	I58-N62 WeakPolarHBondContact O-CB 3.32Å; I58-N62 VanDerWaalsContact O-CG 3.28Å; I58-N62 PolarHBondContact O-N 3.38Å; T59-N62 PolarHBondContact O-N 3.39Å; T59-N62 VanDerWaalsContact O-N 3.14Å; F60-N62 VanDerWaalsContact C-N 3.33Å; F60-N62 PolarHBondContact O-N 3.27Å
63	T	92.4	Very high	91.1	Very high	84 Å²	84	85.5 Å²	85.5	52%	0.515	46%	0.464	S	S	.	.	H	α-helix	trans	-106.8	-8.6	-173.9	62.8	0	0	0	0	113.7	T59 T65	T59-T63 PolarHBondContact O-N 2.9Å; T59-T63 PolarHBondContact O-OG1 3.37Å; T63-T65 PolarHBondContact O-N 3.34Å; T63-T65 VanDerWaalsContact O-N 3.12Å; T63-T65 PolarHBondContact O-OG1 2.91Å; T63-T65 PolarHBondContact OG1-N 2.77Å; T63-T65 PolarHBondContact OG1-O 3.4Å; T63-T65 PolarHBondContact OG1-OG1 2.91Å
64	G	89.5	Confident	91.3	Very high	48 Å²	48	85.4 Å²	85.4	50%	0.495	45%	0.449	S	S	.	.	S	Bend	trans	68.4	0.8	-172.1	0	0	0	0	0	114.3	F60	F60-G64 WeakPolarHBondContact CE2-O 3.44Å; F60-G64 WeakPolarHBondContact O-CA 3.12Å; F60-G64 PolarHBondContact O-N 2.88Å
65	T	91.6	Very high	91.4	Very high	99 Å²	99	83.3 Å²	83.3	61%	0.607	44%	0.441	S	S	*	.			trans	-137.4	131.4	-172.1	50.7	0	0	0	0	110.7	T63	T63-T65 PolarHBondContact O-N 3.34Å; T63-T65 VanDerWaalsContact O-N 3.12Å; T63-T65 PolarHBondContact O-OG1 2.91Å; T63-T65 PolarHBondContact OG1-N 2.77Å; T63-T65 PolarHBondContact OG1-O 3.4Å; T63-T65 PolarHBondContact OG1-OG1 2.91Å
66	C	93.3	Very high	91.4	Very high	23 Å²	23	77.8 Å²	77.8	16%	0.155	42%	0.418	C	S	.	.			trans	-118.7	128.1	178.5	-174.3	0	0	0	0	110.4	F60 F68 G69 H76	F60-C66 HydrophobicContact CB-CB 4.25Å; F60-C66 HydrophobicContact CD2-CB 4.08Å; C66-F68 PolarHBondContact O-N 3.37Å; C66-G69 PolarHBondContact O-N 2.91Å; C66-G69 VanDerWaalsContact O-N 3.15Å; C66-H76 WeakPolarHBondContact CB-CE1 3.48Å; C66-H76 WeakPolarHBondContact CB-NE2 3.3Å; C66-H76 PolarHBondContact SG-NE2 2.95Å
67	T	91.5	Very high	91.3	Very high	130 Å²	130	76.1 Å²	76.1	80%	0.798	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-25.4	178.4	53.4	0	0	0	0	113.3	G69	T67-G69 VanDerWaalsContact C-N 3.34Å
68	F	90	Very high	91.1	Very high	135 Å²	135	79.2 Å²	79.2	59%	0.592	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.1	178.1	-58.5	-75.1	0	0	0	113.4	C66 L71 C72	C66-F68 PolarHBondContact O-N 3.37Å; F68-L71 PolarHBondContact O-N 2.83Å; F68-L71 VanDerWaalsContact O-N 3.15Å; F68-C72 HydrophobicContact CB-CB 4.05Å
69	G	88.5	Confident	90.9	Very high	26 Å²	26	79.7 Å²	79.7	27%	0.268	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	52.4	-133.7	-179.6	0	0	0	0	0	112.7	C66 T67 L71 C72 H76	C66-G69 PolarHBondContact O-N 2.91Å; C66-G69 VanDerWaalsContact O-N 3.15Å; T67-G69 VanDerWaalsContact C-N 3.34Å; G69-L71 PolarHBondContact O-N 2.93Å; G69-C72 WeakPolarHBondContact O-CB 3.17Å; G69-C72 PolarHBondContact O-N 3.02Å; G69-H76 PolarHBondContact O-CE1 2.94Å
70	P	87.1	Confident	90.9	Very high	47 Å²	47	80.3 Å²	80.3	31%	0.305	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-71.8	-16.1	-177.8	30.2	-34	0	0	0	112.8	Q32 K35 C72	Q32-P70 HydrophobicContact CB-CG 3.89Å; Q32-P70 HydrophobicContact CG-CG 3.88Å; K35-P70 VanDerWaalsContact CD-O 3.28Å; K35-P70 WeakPolarHBondContact CD-O 3.39Å; K35-P70 WeakPolarHBondContact CE-O 3.4Å; K35-P70 PolarHBondContact NZ-O 3.33Å; P70-C72 PolarHBondContact O-N 2.63Å
71	L	90.4	Very high	90.8	Very high	68 Å²	68	81.3 Å²	81.3	36%	0.356	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-82.7	4.5	176	-65.8	174.4	0	0	0	112.9	Q32 K35 F68 G69 K73	Q32-L71 HydrophobicContact CG-CD1 3.53Å; Q32-L71 HydrophobicContact CG-CG 3.68Å; K35-L71 HydrophobicContact CD-CD2 3.96Å; F68-L71 PolarHBondContact O-N 2.83Å; F68-L71 VanDerWaalsContact O-N 3.15Å; G69-L71 PolarHBondContact O-N 2.93Å; L71-K73 PolarHBondContact O-N 3.21Å
72	C	92.3	Very high	90.8	Very high	7 Å²	7	74 Å²	74	5%	0.047	41%	0.406	C	S	.	.			trans	-56.5	135.4	176.7	-167	0	0	0	0	111.4	F68 G69 P70 Y74 H76	F68-C72 HydrophobicContact CB-CB 4.05Å; G69-C72 WeakPolarHBondContact O-CB 3.17Å; G69-C72 PolarHBondContact O-N 3.02Å; P70-C72 PolarHBondContact O-N 2.63Å; C72-Y74 VanDerWaalsContact C-N 3.26Å; C72-Y74 PolarHBondContact SG-N 2.9Å; C72-H76 WeakPolarHBondContact CB-NE2 3.34Å; C72-H76 PolarHBondContact SG-NE2 3.48Å
73	K	90.4	Very high	90.9	Very high	153 Å²	153	74.9 Å²	74.9	67%	0.665	40%	0.4	S	S	*	.	S	Bend	trans	-77.8	-12.8	176.6	68.9	-173.7	-174.9	-176.1	0	113.3	L71	L71-K73 PolarHBondContact O-N 3.21Å
74	Y	93.2	Very high	91.1	Very high	96 Å²	96	75.2 Å²	75.2	38%	0.376	40%	0.398	S	S	.	.	S	Bend	trans	-104.8	157.2	-178.2	-61.2	-67.1	0	0	0	110.5	K55 C72	K55-Y74 HydrophobicContact CB-CD1 4.08Å; K55-Y74 HydrophobicContact CB-CE1 4.4Å; K55-Y74 CarbonylContact O-C 3.59Å; K55-Y74 WeakPolarHBondContact O-CA 3.46Å; K55-Y74 VanDerWaalsContact O-CB 3.29Å; K55-Y74 WeakPolarHBondContact O-CB 3.3Å; C72-Y74 VanDerWaalsContact C-N 3.26Å; C72-Y74 PolarHBondContact SG-N 2.9Å
75	S	92.5	Very high	91.2	Very high	10 Å²	10	74.6 Å²	74.6	7%	0.07	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-73.6	134.8	177.6	-173.3	0	0	0	0	110.9	E51 K55 C57 L77	E51-S75 WeakPolarHBondContact OE2-CA 3.38Å; E51-S75 VanDerWaalsContact OE2-CB 3.23Å; E51-S75 WeakPolarHBondContact OE2-CB 3.48Å; E51-S75 PolarHBondContact OE2-OG 3.4Å; K55-S75 PolarHBondContact O-N 3.07Å; C57-S75 WeakPolarHBondContact CB-O 3.41Å; C57-S75 PolarHBondContact N-O 3.32Å; S75-L77 PolarHBondContact OG-N 2.98Å
76	H	91.1	Very high	91.4	Very high	44 Å²	44	73.4 Å²	73.4	20%	0.204	37%	0.371	C	S	.	.			trans	-98.7	1.8	171.3	-70.9	176.6	0	0	0	112.4	C57 F60 C66 G69 C72 T78	C57-H76 WeakPolarHBondContact CB-CD2 3.29Å; F60-H76 HydrophobicContact CD1-CB 3.71Å; F60-H76 AromaticContact CD1-CG 3.86Å; F60-H76 HydrophobicContact CE1-CB 3.8Å; F60-H76 WeakPolarHBondContact CE1-O 3.43Å; F60-H76 HydrophobicContact CG-CB 4.15Å; F60-H76 AromaticContact CG-CD2 3.77Å; F60-H76 AromaticContact CG-CG 3.77Å; F60-H76 HydrophobicContact CZ-CB 4.31Å; C66-H76 WeakPolarHBondContact CB-CE1 3.48Å; C66-H76 WeakPolarHBondContact CB-NE2 3.3Å; C66-H76 PolarHBondContact SG-NE2 2.95Å; G69-H76 PolarHBondContact O-CE1 2.94Å; C72-H76 WeakPolarHBondContact CB-NE2 3.34Å; C72-H76 PolarHBondContact SG-NE2 3.48Å; H76-T78 PolarHBondContact O-N 3.14Å
77	L	89.9	Confident	91.5	Very high	42 Å²	42	78.3 Å²	78.3	22%	0.22	39%	0.391	C	S	.	.			trans	-72.3	133.8	-179.6	-62	-175	0	0	0	111	E51 S75 E81 V82 L85	E51-L77 HydrophobicContact CB-CD1 3.55Å; E51-L77 HydrophobicContact CB-CG 4.3Å; E51-L77 HydrophobicContact CG-CD1 3.63Å; E51-L77 HydrophobicContact CG-CG 4.13Å; S75-L77 PolarHBondContact OG-N 2.98Å; L77-E81 WeakPolarHBondContact CA-OE2 3.22Å; L77-E81 HydrophobicContact CB-CB 4.41Å; L77-E81 HydrophobicContact CD2-CB 4.12Å; L77-V82 HydrophobicContact CB-CG2 3.75Å; L77-V82 HydrophobicContact CD1-CG2 3.94Å; L77-L85 HydrophobicContact CD1-CD1 3.48Å; L77-L85 VanDerWaalsContact CD1-CD1 3.48Å; L77-L85 HydrophobicContact CD2-CD1 4.25Å
78	T	89.4	Confident	91.7	Very high	72 Å²	72	79.2 Å²	79.2	44%	0.442	38%	0.38	S	S	.	.			trans	-73.8	159.8	164.4	61.9	0	0	0	0	110.3	H76 E80 E81 V82	H76-T78 PolarHBondContact O-N 3.14Å; T78-E80 PolarHBondContact O-N 3.04Å; T78-E81 WeakPolarHBondContact CB-OE2 3.43Å; T78-E81 PolarHBondContact N-OE2 3.31Å; T78-E81 PolarHBondContact O-N 2.91Å; T78-E81 VanDerWaalsContact OG1-CG 3.26Å; T78-E81 WeakPolarHBondContact OG1-CG 3.18Å; T78-E81 PolarHBondContact OG1-N 3.25Å; T78-E81 PolarHBondContact OG1-OE2 3.28Å; T78-V82 WeakPolarHBondContact O-CG2 3.18Å; T78-V82 PolarHBondContact O-N 2.88Å
79	N	87.9	Confident	91.9	Very high	136 Å²	136	73.1 Å²	73.1	73%	0.727	35%	0.354	S	S	*	.	H	α-helix	trans	-57.8	-33.8	177.4	-69.8	-24.8	0	0	0	112.3	R83	N79-R83 PolarHBondContact O-N 2.88Å; N79-R83 VanDerWaalsContact O-N 3.08Å
80	E	91.2	Very high	92.3	Very high	90 Å²	90	75.8 Å²	75.8	42%	0.421	36%	0.362	S	S	.	.	H	α-helix	trans	-71.1	-42.2	178.3	-173.4	56.3	-158.3	0	0	111.8	T78 V82 R83 I84	T78-E80 PolarHBondContact O-N 3.04Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 2.98Å; E80-R83 WeakPolarHBondContact O-CB 3.32Å; E80-R83 PolarHBondContact O-N 3.09Å; E80-R83 VanDerWaalsContact O-N 3.11Å; E80-R83 IonicContact OE1-CZ 3.82Å; E80-R83 IonicContact OE1-NE 3.83Å; E80-R83 PolarHBondContact OE1-NE 3.22Å; E80-R83 IonicContact OE1-NH2 2.84Å; E80-R83 PolarHBondContact OE1-NH2 3.14Å; E80-R83 IonicContact OE2-CZ 3.14Å; E80-R83 IonicContact OE2-NE 3.94Å; E80-R83 PolarHBondContact OE2-NE 3.32Å; E80-R83 IonicContact OE2-NH2 3.74Å; E80-I84 HydrophobicContact CG-CD1 4.07Å; E80-I84 WeakPolarHBondContact O-CG1 3.44Å; E80-I84 PolarHBondContact O-N 3.34Å
81	E	91.8	Very high	92.7	Very high	86 Å²	86	76.1 Å²	76.1	40%	0.402	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-37.3	175	-70.3	165.7	135.4	0	0	112	L77 T78 R83 I84 L85	L77-E81 WeakPolarHBondContact CA-OE2 3.22Å; L77-E81 HydrophobicContact CB-CB 4.41Å; L77-E81 HydrophobicContact CD2-CB 4.12Å; T78-E81 WeakPolarHBondContact CB-OE2 3.43Å; T78-E81 PolarHBondContact N-OE2 3.31Å; T78-E81 PolarHBondContact O-N 2.91Å; T78-E81 VanDerWaalsContact OG1-CG 3.26Å; T78-E81 WeakPolarHBondContact OG1-CG 3.18Å; T78-E81 PolarHBondContact OG1-N 3.25Å; T78-E81 PolarHBondContact OG1-OE2 3.28Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-I84 PolarHBondContact O-N 3.39Å; E81-L85 WeakPolarHBondContact O-CB 3.43Å; E81-L85 WeakPolarHBondContact O-CG 3.36Å; E81-L85 PolarHBondContact O-N 2.93Å
82	V	91.7	Very high	92.9	Very high	34 Å²	34	76.1 Å²	76.1	21%	0.206	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-42.7	173.3	175.7	0	0	0	0	110.8	L77 T78 E80 L85 E86	L77-V82 HydrophobicContact CB-CG2 3.75Å; L77-V82 HydrophobicContact CD1-CG2 3.94Å; T78-V82 WeakPolarHBondContact O-CG2 3.18Å; T78-V82 PolarHBondContact O-N 2.88Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 2.98Å; V82-L85 PolarHBondContact O-N 3.33Å; V82-E86 WeakPolarHBondContact O-CB 3.25Å; V82-E86 PolarHBondContact O-N 3.47Å
83	R	94.1	Very high	92.9	Very high	142 Å²	142	79.6 Å²	79.6	54%	0.536	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-46.5	178	-167.8	-179.8	77	102.5	6	111.6	N79 E80 E81 L85 E86 E87	N79-R83 PolarHBondContact O-N 2.88Å; N79-R83 VanDerWaalsContact O-N 3.08Å; E80-R83 WeakPolarHBondContact O-CB 3.32Å; E80-R83 PolarHBondContact O-N 3.09Å; E80-R83 VanDerWaalsContact O-N 3.11Å; E80-R83 IonicContact OE1-CZ 3.82Å; E80-R83 IonicContact OE1-NE 3.83Å; E80-R83 PolarHBondContact OE1-NE 3.22Å; E80-R83 IonicContact OE1-NH2 2.84Å; E80-R83 PolarHBondContact OE1-NH2 3.14Å; E80-R83 IonicContact OE2-CZ 3.14Å; E80-R83 IonicContact OE2-NE 3.94Å; E80-R83 PolarHBondContact OE2-NE 3.32Å; E80-R83 IonicContact OE2-NH2 3.74Å; E81-R83 VanDerWaalsContact C-N 3.34Å; R83-L85 VanDerWaalsContact C-N 3.35Å; R83-L85 PolarHBondContact O-N 3.17Å; R83-E86 WeakPolarHBondContact O-CB 3.44Å; R83-E86 PolarHBondContact O-N 2.83Å; R83-E87 PolarHBondContact O-N 3.48Å
84	I	95.2	Very high	93.2	Very high	91 Å²	91	78.3 Å²	78.3	47%	0.467	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-42.6	177.5	-66.5	165.6	0	0	0	110.8	E80 E81 E86 E87 R88	E80-I84 HydrophobicContact CG-CD1 4.07Å; E80-I84 WeakPolarHBondContact O-CG1 3.44Å; E80-I84 PolarHBondContact O-N 3.34Å; E81-I84 PolarHBondContact O-N 3.39Å; I84-E86 VanDerWaalsContact C-N 3.33Å; I84-E86 PolarHBondContact O-N 3.38Å; I84-E87 PolarHBondContact O-N 2.85Å; I84-R88 WeakPolarHBondContact O-CB 3.39Å; I84-R88 PolarHBondContact O-N 3.47Å
85	L	92.9	Very high	93.3	Very high	35 Å²	35	76.1 Å²	76.1	18%	0.183	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-38	176.3	-81.1	164.8	0	0	0	112.4	L48 L77 E81 V82 R83 R88 S89	L48-L85 HydrophobicContact CD1-CB 4.32Å; L77-L85 HydrophobicContact CD1-CD1 3.48Å; L77-L85 VanDerWaalsContact CD1-CD1 3.48Å; L77-L85 HydrophobicContact CD2-CD1 4.25Å; E81-L85 WeakPolarHBondContact O-CB 3.43Å; E81-L85 WeakPolarHBondContact O-CG 3.36Å; E81-L85 PolarHBondContact O-N 2.93Å; V82-L85 PolarHBondContact O-N 3.33Å; R83-L85 VanDerWaalsContact C-N 3.35Å; R83-L85 PolarHBondContact O-N 3.17Å; L85-R88 PolarHBondContact O-N 3.13Å; L85-S89 WeakPolarHBondContact O-CB 3.39Å; L85-S89 PolarHBondContact O-N 3.31Å
86	E	94.5	Very high	93.4	Very high	75 Å²	75	78.7 Å²	78.7	35%	0.35	41%	0.405	S	S	.	.	H	α-helix	trans	-65.9	-46.3	176.6	-170.4	154.2	-129.4	0	0	111.8	L48 K52 V82 R83 I84 R88 S89 N90	L48-E86 VanDerWaalsContact CD1-CA 3.4Å; L48-E86 HydrophobicContact CD1-CB 3.56Å; L48-E86 HydrophobicContact CD1-CG 4.11Å; K52-E86 IonicContact NZ-OE1 2.74Å; K52-E86 PolarHBondContact NZ-OE1 3.5Å; K52-E86 IonicContact NZ-OE2 2.63Å; V82-E86 WeakPolarHBondContact O-CB 3.25Å; V82-E86 PolarHBondContact O-N 3.47Å; R83-E86 WeakPolarHBondContact O-CB 3.44Å; R83-E86 PolarHBondContact O-N 2.83Å; I84-E86 VanDerWaalsContact C-N 3.33Å; I84-E86 PolarHBondContact O-N 3.38Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.24Å; E86-S89 PolarHBondContact O-N 2.83Å; E86-N90 WeakPolarHBondContact O-CB 3.46Å; E86-N90 VanDerWaalsContact O-CG 3.23Å; E86-N90 PolarHBondContact O-N 3.5Å; E86-N90 PolarHBondContact O-ND2 3.05Å
87	E	95.9	Very high	93.5	Very high	125 Å²	125	80.3 Å²	80.3	58%	0.584	42%	0.421	S	S	*	.	H	α-helix	trans	-58.7	-45.9	174.9	-175.8	171.5	-162.6	0	0	111.3	R83 I84 N90 A91	R83-E87 PolarHBondContact O-N 3.48Å; I84-E87 PolarHBondContact O-N 2.85Å; E87-N90 PolarHBondContact O-N 3.14Å; E87-A91 WeakPolarHBondContact O-CB 3.35Å; E87-A91 PolarHBondContact O-N 2.84Å
88	R	95.4	Very high	93.7	Very high	149 Å²	149	85.2 Å²	85.2	56%	0.562	44%	0.437	S	S	*	.	H	α-helix	trans	-61.6	-46.4	176.5	-175	176.3	178.9	162.9	2.3	112.3	P44 I84 L85 E86 N90 A91 E92	P44-R88 HydrophobicContact CB-CG 4.19Å; P44-R88 HydrophobicContact CG-CG 4Å; I84-R88 WeakPolarHBondContact O-CB 3.39Å; I84-R88 PolarHBondContact O-N 3.47Å; L85-R88 PolarHBondContact O-N 3.13Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.24Å; R88-N90 VanDerWaalsContact C-N 3.28Å; R88-N90 PolarHBondContact O-N 2.99Å; R88-A91 PolarHBondContact O-N 3.22Å; R88-E92 IonicContact CZ-OE1 3.19Å; R88-E92 IonicContact NE-OE1 3.39Å; R88-E92 PolarHBondContact NE-OE1 2.89Å; R88-E92 VanDerWaalsContact NE-OE1 3.14Å; R88-E92 IonicContact NH2-OE1 3.8Å; R88-E92 WeakPolarHBondContact O-CG 3.45Å; R88-E92 PolarHBondContact O-N 3.32Å
89	S	95.2	Very high	94	Very high	7 Å²	7	86 Å²	86	5%	0.049	44%	0.439	C	S	.	.	H	α-helix	trans	-58.7	-42	176.4	176.5	0	0	0	0	111.3	K45 L85 E86 L93	K45-S89 WeakPolarHBondContact CA-OG 3.3Å; K45-S89 WeakPolarHBondContact CB-OG 3.39Å; L85-S89 WeakPolarHBondContact O-CB 3.39Å; L85-S89 PolarHBondContact O-N 3.31Å; E86-S89 PolarHBondContact O-N 2.83Å; S89-L93 VanDerWaalsContact O-CG 3.32Å; S89-L93 WeakPolarHBondContact O-CG 3.42Å; S89-L93 PolarHBondContact O-N 3.3Å
90	N	95.5	Very high	94.2	Very high	82 Å²	82	84.8 Å²	84.8	44%	0.439	43%	0.432	S	S	.	.	H	α-helix	trans	-68.3	-41.8	178.8	-70.4	-25.8	0	0	0	111.6	E86 E87 R88 E92 L93 L94	E86-N90 WeakPolarHBondContact O-CB 3.46Å; E86-N90 VanDerWaalsContact O-CG 3.23Å; E86-N90 PolarHBondContact O-N 3.5Å; E86-N90 PolarHBondContact O-ND2 3.05Å; E87-N90 PolarHBondContact O-N 3.14Å; R88-N90 VanDerWaalsContact C-N 3.28Å; R88-N90 PolarHBondContact O-N 2.99Å; N90-E92 PolarHBondContact O-N 2.92Å; N90-L93 PolarHBondContact O-N 3.48Å; N90-L94 WeakPolarHBondContact O-CB 3.37Å; N90-L94 VanDerWaalsContact O-CG 3.3Å; N90-L94 WeakPolarHBondContact O-CG 3.24Å; N90-L94 PolarHBondContact O-N 2.96Å
91	A	95.6	Very high	94.2	Very high	54 Å²	54	85.9 Å²	85.9	45%	0.446	44%	0.437	S	S	.	.	H	α-helix	trans	-60.4	-43.8	175.5	0	0	0	0	0	111.8	E87 R88 L94 A95	E87-A91 WeakPolarHBondContact O-CB 3.35Å; E87-A91 PolarHBondContact O-N 2.84Å; R88-A91 PolarHBondContact O-N 3.22Å; A91-L94 PolarHBondContact O-N 3.45Å; A91-A95 WeakPolarHBondContact O-CB 3.38Å; A91-A95 PolarHBondContact O-N 3.45Å
92	E	94.9	Very high	94.2	Very high	68 Å²	68	84.9 Å²	84.9	32%	0.318	43%	0.434	S	S	.	.	H	α-helix	trans	-67.1	-36.2	177.6	-73.8	174.7	-175.4	0	0	112.5	P44 R88 N90 S96	P44-E92 WeakPolarHBondContact CD-OE2 3.41Å; P44-E92 WeakPolarHBondContact CG-OE1 3.36Å; P44-E92 WeakPolarHBondContact CG-OE2 3.42Å; R88-E92 IonicContact CZ-OE1 3.19Å; R88-E92 IonicContact NE-OE1 3.39Å; R88-E92 PolarHBondContact NE-OE1 2.89Å; R88-E92 VanDerWaalsContact NE-OE1 3.14Å; R88-E92 IonicContact NH2-OE1 3.8Å; R88-E92 WeakPolarHBondContact O-CG 3.45Å; R88-E92 PolarHBondContact O-N 3.32Å; N90-E92 PolarHBondContact O-N 2.92Å; E92-S96 WeakPolarHBondContact O-CB 3.49Å; E92-S96 PolarHBondContact O-N 3.49Å; E92-S96 PolarHBondContact O-OG 3.37Å
93	L	93.4	Very high	94.2	Very high	81 Å²	81	87.5 Å²	87.5	42%	0.424	45%	0.45	S	S	.	.	H	α-helix	trans	-66.8	-43.3	173.2	-74.9	173.9	0	0	0	112.3	K45 S89 N90 S96 S97	K45-L93 HydrophobicContact CD-CD1 4.42Å; K45-L93 HydrophobicContact CD-CD2 4.4Å; S89-L93 VanDerWaalsContact O-CG 3.32Å; S89-L93 WeakPolarHBondContact O-CG 3.42Å; S89-L93 PolarHBondContact O-N 3.3Å; N90-L93 PolarHBondContact O-N 3.48Å; L93-S96 PolarHBondContact O-N 3.24Å; L93-S97 WeakPolarHBondContact O-CB 3.38Å; L93-S97 PolarHBondContact O-N 2.94Å
94	L	95.7	Very high	94.2	Very high	126 Å²	126	82.5 Å²	82.5	66%	0.66	44%	0.437	S	S	*	.	H	α-helix	trans	-62.9	-44.7	176.3	-72.8	170.2	0	0	0	111.1	N90 A91 S97 Y98	N90-L94 WeakPolarHBondContact O-CB 3.37Å; N90-L94 VanDerWaalsContact O-CG 3.3Å; N90-L94 WeakPolarHBondContact O-CG 3.24Å; N90-L94 PolarHBondContact O-N 2.96Å; A91-L94 PolarHBondContact O-N 3.45Å; L94-S97 PolarHBondContact O-N 3.24Å; L94-Y98 WeakPolarHBondContact O-CB 3.45Å; L94-Y98 PolarHBondContact O-N 3.11Å
95	A	95.1	Very high	93.9	Very high	49 Å²	49	85.6 Å²	85.6	41%	0.405	45%	0.449	S	S	.	.	H	α-helix	trans	-59.5	-50.6	174.9	0	0	0	0	0	110.8	A91 S97 Y98 L99	A91-A95 WeakPolarHBondContact O-CB 3.38Å; A91-A95 PolarHBondContact O-N 3.45Å; A95-S97 VanDerWaalsContact C-N 3.31Å; A95-S97 PolarHBondContact O-N 2.98Å; A95-Y98 WeakPolarHBondContact O-CB 3.23Å; A95-Y98 PolarHBondContact O-N 2.95Å; A95-Y98 VanDerWaalsContact O-N 3.16Å; A95-L99 WeakPolarHBondContact O-CD2 3.12Å; A95-L99 PolarHBondContact O-N 3.41Å
96	S	94.1	Very high	93.8	Very high	65 Å²	65	89.6 Å²	89.6	46%	0.455	48%	0.475	S	S	.	.	H	α-helix	trans	-59.2	-41.8	178.8	-58.5	0	0	0	0	112.2	E92 L93 L99 N100	E92-S96 WeakPolarHBondContact O-CB 3.49Å; E92-S96 PolarHBondContact O-N 3.49Å; E92-S96 PolarHBondContact O-OG 3.37Å; L93-S96 PolarHBondContact O-N 3.24Å; S96-L99 PolarHBondContact O-N 2.93Å; S96-N100 WeakPolarHBondContact O-CB 3.42Å; S96-N100 PolarHBondContact O-N 3.32Å; S96-N100 PolarHBondContact O-ND2 3.48Å
97	S	94.5	Very high	93.7	Very high	78 Å²	78	87.4 Å²	87.4	55%	0.545	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-45.2	175.3	-177	0	0	0	0	112.1	L93 L94 A95 L99 N100 H101	L93-S97 WeakPolarHBondContact O-CB 3.38Å; L93-S97 PolarHBondContact O-N 2.94Å; L94-S97 PolarHBondContact O-N 3.24Å; A95-S97 VanDerWaalsContact C-N 3.31Å; A95-S97 PolarHBondContact O-N 2.98Å; S97-L99 PolarHBondContact O-N 3.16Å; S97-N100 PolarHBondContact O-N 3.5Å; S97-H101 PolarHBondContact O-N 2.93Å
98	Y	93.9	Very high	93.6	Very high	144 Å²	144	85.1 Å²	85.1	57%	0.565	46%	0.457	S	S	*	.	H	α-helix	trans	-61.1	-44.5	176.1	177.9	-110.1	0	0	0	111.8	L94 A95 H101 L102	L94-Y98 WeakPolarHBondContact O-CB 3.45Å; L94-Y98 PolarHBondContact O-N 3.11Å; A95-Y98 WeakPolarHBondContact O-CB 3.23Å; A95-Y98 PolarHBondContact O-N 2.95Å; A95-Y98 VanDerWaalsContact O-N 3.16Å; Y98-H101 PolarHBondContact O-N 3.22Å; Y98-L102 HydrophobicContact CD1-CD1 3.86Å; Y98-L102 HydrophobicContact CD1-CG 4.47Å; Y98-L102 HydrophobicContact CE1-CD1 3.35Å; Y98-L102 HydrophobicContact CE1-CG 4.1Å; Y98-L102 HydrophobicContact CE2-CD1 4.42Å; Y98-L102 HydrophobicContact CE2-CD2 4.45Å; Y98-L102 HydrophobicContact CE2-CG 4.32Å; Y98-L102 WeakPolarHBondContact O-CG 3.45Å; Y98-L102 PolarHBondContact O-N 3.11Å
99	L	94.8	Very high	93.5	Very high	90 Å²	90	82.1 Å²	82.1	47%	0.471	45%	0.452	S	S	.	.	H	α-helix	trans	-61.4	-45.7	175.8	-87.9	-63.7	0	0	0	111	A95 S96 S97 H101 L102 T103	A95-L99 WeakPolarHBondContact O-CD2 3.12Å; A95-L99 PolarHBondContact O-N 3.41Å; S96-L99 PolarHBondContact O-N 2.93Å; S97-L99 PolarHBondContact O-N 3.16Å; L99-H101 VanDerWaalsContact C-N 3.31Å; L99-H101 PolarHBondContact O-N 2.86Å; L99-L102 WeakPolarHBondContact O-CB 3.28Å; L99-L102 PolarHBondContact O-N 3.35Å; L99-L102 VanDerWaalsContact O-N 3.1Å; L99-T103 WeakPolarHBondContact O-CG2 3.25Å; L99-T103 PolarHBondContact O-N 3.28Å; L99-T103 PolarHBondContact O-OG1 3.03Å; L99-T103 VanDerWaalsContact O-OG1 3.1Å
100	N	93.5	Very high	93.5	Very high	109 Å²	109	86.9 Å²	86.9	58%	0.583	47%	0.473	S	S	*	.	H	α-helix	trans	-60.1	-39.9	176.2	-72.7	-28.2	0	0	0	112.4	S96 S97 T103 S104	S96-N100 WeakPolarHBondContact O-CB 3.42Å; S96-N100 PolarHBondContact O-N 3.32Å; S96-N100 PolarHBondContact O-ND2 3.48Å; S97-N100 PolarHBondContact O-N 3.5Å; N100-T103 CarbonylContact O-C 3.59Å; N100-T103 PolarHBondContact O-N 3.48Å; N100-T103 PolarHBondContact O-OG1 3.35Å; N100-S104 WeakPolarHBondContact O-CB 3.38Å; N100-S104 PolarHBondContact O-N 2.98Å
101	H	90.8	Very high	93.4	Very high	114 Å²	114	87.5 Å²	87.5	53%	0.528	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-45	173.9	177.5	-79.1	0	0	0	110.9	S97 Y98 L99 T103 S104 N107	S97-H101 PolarHBondContact O-N 2.93Å; Y98-H101 PolarHBondContact O-N 3.22Å; L99-H101 VanDerWaalsContact C-N 3.31Å; L99-H101 PolarHBondContact O-N 2.86Å; H101-T103 VanDerWaalsContact C-N 3.3Å; H101-T103 PolarHBondContact O-N 3.44Å; H101-S104 WeakPolarHBondContact O-CB 3.34Å; H101-S104 PolarHBondContact O-N 3.05Å; H101-S104 PolarHBondContact O-OG 3.47Å; H101-N107 VanDerWaalsContact O-CB 3.3Å; H101-N107 WeakPolarHBondContact O-CB 3.28Å
102	L	91.5	Very high	93.3	Very high	65 Å²	65	88.5 Å²	88.5	34%	0.34	47%	0.47	S	S	.	.	H	α-helix	trans	-59.7	-41.3	177.7	-73.1	175.7	0	0	0	112.2	Y98 L99 S104 N107	Y98-L102 HydrophobicContact CD1-CD1 3.86Å; Y98-L102 HydrophobicContact CD1-CG 4.47Å; Y98-L102 HydrophobicContact CE1-CD1 3.35Å; Y98-L102 HydrophobicContact CE1-CG 4.1Å; Y98-L102 HydrophobicContact CE2-CD1 4.42Å; Y98-L102 HydrophobicContact CE2-CD2 4.45Å; Y98-L102 HydrophobicContact CE2-CG 4.32Å; Y98-L102 WeakPolarHBondContact O-CG 3.45Å; Y98-L102 PolarHBondContact O-N 3.11Å; L99-L102 WeakPolarHBondContact O-CB 3.28Å; L99-L102 PolarHBondContact O-N 3.35Å; L99-L102 VanDerWaalsContact O-N 3.1Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-N107 WeakPolarHBondContact CA-ND2 3.37Å; L102-N107 PolarHBondContact O-ND2 2.92Å
103	T	92.3	Very high	93.4	Very high	89 Å²	89	92 Å²	92	55%	0.546	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3	179.5	62.2	0	0	0	0	113.8	L99 N100 H101 I108	L99-T103 WeakPolarHBondContact O-CG2 3.25Å; L99-T103 PolarHBondContact O-N 3.28Å; L99-T103 PolarHBondContact O-OG1 3.03Å; L99-T103 VanDerWaalsContact O-OG1 3.1Å; N100-T103 CarbonylContact O-C 3.59Å; N100-T103 PolarHBondContact O-N 3.48Å; N100-T103 PolarHBondContact O-OG1 3.35Å; H101-T103 VanDerWaalsContact C-N 3.3Å; H101-T103 PolarHBondContact O-N 3.44Å; T103-I108 WeakPolarHBondContact O-CD1 3.41Å
104	S	93.1	Very high	93.4	Very high	36 Å²	36	91.3 Å²	91.3	25%	0.252	48%	0.481	S	S	.	.			trans	-66	138.8	177.9	68.9	0	0	0	0	109.9	N100 H101 L102 V106 N107 I108	N100-S104 WeakPolarHBondContact O-CB 3.38Å; N100-S104 PolarHBondContact O-N 2.98Å; H101-S104 WeakPolarHBondContact O-CB 3.34Å; H101-S104 PolarHBondContact O-N 3.05Å; H101-S104 PolarHBondContact O-OG 3.47Å; L102-S104 VanDerWaalsContact C-N 3.33Å; S104-V106 PolarHBondContact O-N 3.32Å; S104-N107 PolarHBondContact O-N 3.19Å; S104-N107 VanDerWaalsContact OG-CB 3.27Å; S104-N107 WeakPolarHBondContact OG-CB 3.28Å; S104-N107 PolarHBondContact OG-N 3.44Å; S104-I108 WeakPolarHBondContact O-CG1 3.49Å; S104-I108 PolarHBondContact O-N 3.39Å
105	E	89.8	Confident	93.4	Very high	157 Å²	157	90.2 Å²	90.2	73%	0.734	48%	0.475	S	S	*	.	H	α-helix	trans	-52.6	-42.1	179.2	-65.2	-178.6	169	0	0	110.9	N107 I108 D109	E105-N107 PolarHBondContact O-N 3.49Å; E105-I108 PolarHBondContact O-N 2.92Å; E105-D109 WeakPolarHBondContact O-CB 3.26Å; E105-D109 PolarHBondContact O-N 2.87Å
106	V	91.1	Very high	93.4	Very high	119 Å²	119	92.9 Å²	92.9	72%	0.721	48%	0.479	S	S	*	.	H	α-helix	trans	-58.3	-44.5	177.8	-173.1	0	0	0	0	112.3	S104 H110	S104-V106 PolarHBondContact O-N 3.32Å; V106-H110 VanDerWaalsContact O-CB 3.27Å; V106-H110 WeakPolarHBondContact O-CB 3.37Å; V106-H110 PolarHBondContact O-N 3.39Å
107	N	91.1	Very high	93.4	Very high	28 Å²	28	92.4 Å²	92.4	15%	0.15	48%	0.476	C	S	.	.	H	α-helix	trans	-72.1	-38.6	178.7	-177.1	51.6	0	0	0	111.5	H101 L102 S104 E105 H110 Q111	H101-N107 VanDerWaalsContact O-CB 3.3Å; H101-N107 WeakPolarHBondContact O-CB 3.28Å; L102-N107 WeakPolarHBondContact CA-ND2 3.37Å; L102-N107 PolarHBondContact O-ND2 2.92Å; S104-N107 PolarHBondContact O-N 3.19Å; S104-N107 VanDerWaalsContact OG-CB 3.27Å; S104-N107 WeakPolarHBondContact OG-CB 3.28Å; S104-N107 PolarHBondContact OG-N 3.44Å; E105-N107 PolarHBondContact O-N 3.49Å; N107-H110 PolarHBondContact O-N 2.9Å; N107-Q111 WeakPolarHBondContact O-CB 3.44Å; N107-Q111 WeakPolarHBondContact O-CG 3.38Å; N107-Q111 PolarHBondContact O-N 2.69Å
108	I	93.5	Very high	93.5	Very high	77 Å²	77	95.4 Å²	95.4	40%	0.395	48%	0.479	S	S	.	.	H	α-helix	trans	-62.3	-49.4	176.6	-64.9	167.2	0	0	0	109.9	T103 S104 E105 H110 Q111 I112	T103-I108 WeakPolarHBondContact O-CD1 3.41Å; S104-I108 WeakPolarHBondContact O-CG1 3.49Å; S104-I108 PolarHBondContact O-N 3.39Å; E105-I108 PolarHBondContact O-N 2.92Å; I108-H110 VanDerWaalsContact C-N 3.33Å; I108-H110 PolarHBondContact O-N 3.28Å; I108-Q111 PolarHBondContact O-N 3.23Å; I108-Q111 VanDerWaalsContact O-N 3.14Å; I108-I112 HydrophobicContact CG2-CD1 3.82Å; I108-I112 HydrophobicContact CG2-CG1 4.41Å; I108-I112 WeakPolarHBondContact O-CG1 3.34Å; I108-I112 PolarHBondContact O-N 2.95Å
109	D	94.3	Very high	93.4	Very high	86 Å²	86	94.3 Å²	94.3	46%	0.46	48%	0.482	S	S	.	.	H	α-helix	trans	-60.2	-42.7	177.1	-82.7	-50.5	0	0	0	112.1	E105 Q111 I112 K113	E105-D109 WeakPolarHBondContact O-CB 3.26Å; E105-D109 PolarHBondContact O-N 2.87Å; D109-Q111 VanDerWaalsContact C-N 3.32Å; D109-Q111 PolarHBondContact O-N 2.84Å; D109-I112 PolarHBondContact O-N 2.97Å; D109-K113 WeakPolarHBondContact O-CG 3.39Å; D109-K113 PolarHBondContact O-N 3.47Å
110	H	94.5	Very high	93.3	Very high	107 Å²	107	94.5 Å²	94.5	50%	0.495	48%	0.483	S	S	.	.	H	α-helix	trans	-60.5	-43.8	175.4	179.6	-96.8	0	0	0	111.4	V106 N107 I108 K113 L114	V106-H110 VanDerWaalsContact O-CB 3.27Å; V106-H110 WeakPolarHBondContact O-CB 3.37Å; V106-H110 PolarHBondContact O-N 3.39Å; N107-H110 PolarHBondContact O-N 2.9Å; I108-H110 VanDerWaalsContact C-N 3.33Å; I108-H110 PolarHBondContact O-N 3.28Å; H110-K113 PolarHBondContact O-N 3.47Å; H110-L114 VanDerWaalsContact CE1-CD1 3.41Å; H110-L114 WeakPolarHBondContact CE1-CD1 3.44Å; H110-L114 WeakPolarHBondContact O-CG 3.24Å; H110-L114 PolarHBondContact O-N 2.86Å
111	Q	93.1	Very high	93.2	Very high	96 Å²	96	92 Å²	92	45%	0.449	47%	0.474	S	S	.	.	H	α-helix	trans	-67.1	-38.7	177.2	-69.2	-74.3	27.1	0	0	112.6	N107 I108 D109 L114 L115	N107-Q111 WeakPolarHBondContact O-CB 3.44Å; N107-Q111 WeakPolarHBondContact O-CG 3.38Å; N107-Q111 PolarHBondContact O-N 2.69Å; I108-Q111 PolarHBondContact O-N 3.23Å; I108-Q111 VanDerWaalsContact O-N 3.14Å; D109-Q111 VanDerWaalsContact C-N 3.32Å; D109-Q111 PolarHBondContact O-N 2.84Å; Q111-L114 PolarHBondContact O-N 3.03Å; Q111-L115 WeakPolarHBondContact O-CG 3.21Å; Q111-L115 PolarHBondContact O-N 3.11Å
112	I	95.3	Very high	93	Very high	74 Å²	74	93.1 Å²	93.1	38%	0.379	48%	0.477	S	S	.	.	H	α-helix	trans	-60.2	-49.9	174.6	-70.8	168.8	0	0	0	110	I108 D109 L114 L115 E116	I108-I112 HydrophobicContact CG2-CD1 3.82Å; I108-I112 HydrophobicContact CG2-CG1 4.41Å; I108-I112 WeakPolarHBondContact O-CG1 3.34Å; I108-I112 PolarHBondContact O-N 2.95Å; D109-I112 PolarHBondContact O-N 2.97Å; I112-L114 VanDerWaalsContact C-N 3.3Å; I112-L114 PolarHBondContact O-N 3.39Å; I112-L115 WeakPolarHBondContact O-CB 3.23Å; I112-L115 PolarHBondContact O-N 3.31Å; I112-E116 HydrophobicContact CG2-CG 4.28Å; I112-E116 WeakPolarHBondContact O-CG 3.21Å; I112-E116 PolarHBondContact O-N 3.03Å
113	K	95.7	Very high	92.7	Very high	141 Å²	141	99.1 Å²	99.1	61%	0.613	50%	0.495	S	S	*	.	H	α-helix	trans	-59.2	-40.1	177.7	-73	175	-176.3	174.9	0	112.7	D109 H110 L115 E116 S117	D109-K113 WeakPolarHBondContact O-CG 3.39Å; D109-K113 PolarHBondContact O-N 3.47Å; H110-K113 PolarHBondContact O-N 3.47Å; K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 2.93Å; K113-E116 PolarHBondContact O-N 3.25Å; K113-S117 WeakPolarHBondContact O-CB 3.44Å; K113-S117 PolarHBondContact O-N 3.3Å; K113-S117 PolarHBondContact O-OG 2.69Å; K113-S117 VanDerWaalsContact O-OG 3.07Å
114	L	94.7	Very high	92.3	Very high	67 Å²	67	100.4 Å²	100.4	35%	0.351	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-37.9	174.6	-76.8	177.2	0	0	0	112.4	H110 Q111 I112 S117 K118	H110-L114 VanDerWaalsContact CE1-CD1 3.41Å; H110-L114 WeakPolarHBondContact CE1-CD1 3.44Å; H110-L114 WeakPolarHBondContact O-CG 3.24Å; H110-L114 PolarHBondContact O-N 2.86Å; Q111-L114 PolarHBondContact O-N 3.03Å; I112-L114 VanDerWaalsContact C-N 3.3Å; I112-L114 PolarHBondContact O-N 3.39Å; L114-S117 PolarHBondContact O-OG 3.39Å; L114-K118 VanDerWaalsContact O-CG 3.31Å; L114-K118 WeakPolarHBondContact O-CG 3.47Å; L114-K118 PolarHBondContact O-N 3.08Å
115	L	94.7	Very high	91.7	Very high	103 Å²	103	106.3 Å²	106.3	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-70.4	-43.8	176.3	-71.5	169.5	0	0	0	111.5	Q111 I112 K113 S117 K118 L119	Q111-L115 WeakPolarHBondContact O-CG 3.21Å; Q111-L115 PolarHBondContact O-N 3.11Å; I112-L115 WeakPolarHBondContact O-CB 3.23Å; I112-L115 PolarHBondContact O-N 3.31Å; K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 2.93Å; L115-S117 PolarHBondContact O-N 3.04Å; L115-K118 PolarHBondContact O-N 3.19Å; L115-L119 WeakPolarHBondContact O-CG 3.47Å; L115-L119 PolarHBondContact O-N 2.73Å
116	E	95.7	Very high	90.7	Very high	106 Å²	106	104.7 Å²	104.7	50%	0.495	51%	0.509	S	S	.	.	H	α-helix	trans	-58.5	-48.6	177.4	-72.2	175.6	165.4	0	0	111.6	I112 K113 K118 L119 I120	I112-E116 HydrophobicContact CG2-CG 4.28Å; I112-E116 WeakPolarHBondContact O-CG 3.21Å; I112-E116 PolarHBondContact O-N 3.03Å; K113-E116 PolarHBondContact O-N 3.25Å; E116-K118 VanDerWaalsContact C-N 3.31Å; E116-K118 PolarHBondContact O-N 3.09Å; E116-L119 PolarHBondContact O-N 3.15Å; E116-L119 VanDerWaalsContact O-N 3.13Å; E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 2.93Å
117	S	94.7	Very high	89.3	Confident	55 Å²	55	103.3 Å²	103.3	39%	0.385	50%	0.504	S	S	.	.	H	α-helix	trans	-60.9	-36.6	177.2	58.6	0	0	0	0	113.4	K113 L114 L115 S121	K113-S117 WeakPolarHBondContact O-CB 3.44Å; K113-S117 PolarHBondContact O-N 3.3Å; K113-S117 PolarHBondContact O-OG 2.69Å; K113-S117 VanDerWaalsContact O-OG 3.07Å; L114-S117 PolarHBondContact O-OG 3.39Å; L115-S117 PolarHBondContact O-N 3.04Å; S117-S121 WeakPolarHBondContact O-CB 3.3Å; S117-S121 PolarHBondContact O-N 3.07Å; S117-S121 PolarHBondContact O-OG 3.37Å
118	K	94.8	Very high	87.8	Confident	141 Å²	141	109 Å²	109	61%	0.613	54%	0.535	S	S	*	.	H	α-helix	trans	-66.8	-40.2	173.9	-75.2	174.9	-177.1	174.4	0	112.2	L114 L115 E116 K122	L114-K118 VanDerWaalsContact O-CG 3.31Å; L114-K118 WeakPolarHBondContact O-CG 3.47Å; L114-K118 PolarHBondContact O-N 3.08Å; L115-K118 PolarHBondContact O-N 3.19Å; E116-K118 VanDerWaalsContact C-N 3.31Å; E116-K118 PolarHBondContact O-N 3.09Å; K118-K122 WeakPolarHBondContact O-CB 3.29Å; K118-K122 PolarHBondContact O-N 3.44Å
119	L	93.7	Very high	85.7	Confident	121 Å²	121	109.4 Å²	109.4	63%	0.634	54%	0.544	S	S	*	.	H	α-helix	trans	-65.9	-42.6	177	-70.4	173.5	0	0	0	111.5	L115 E116 K122 R123	L115-L119 WeakPolarHBondContact O-CG 3.47Å; L115-L119 PolarHBondContact O-N 2.73Å; E116-L119 PolarHBondContact O-N 3.15Å; E116-L119 VanDerWaalsContact O-N 3.13Å; L119-K122 PolarHBondContact O-N 2.74Å; L119-R123 PolarHBondContact O-N 2.71Å
120	I	92.2	Very high	83.3	Confident	94 Å²	94	108.5 Å²	108.5	48%	0.482	56%	0.555	S	S	.	*	H	α-helix	trans	-60.3	-52.3	175.4	-66.1	164.7	0	0	0	110	E116 K122 R123 E124	E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 2.93Å; I120-K122 PolarHBondContact O-N 3.46Å; I120-R123 PolarHBondContact O-N 3.47Å; I120-E124 HydrophobicContact CG2-CG 4.46Å; I120-E124 WeakPolarHBondContact O-CG 3.37Å; I120-E124 PolarHBondContact O-N 3.42Å
121	S	90.2	Very high	81.1	Confident	57 Å²	57	107.4 Å²	107.4	40%	0.399	56%	0.559	S	S	.	*	H	α-helix	trans	-55.8	-36.2	177.2	-63.2	0	0	0	0	113	S117 K125	S117-S121 WeakPolarHBondContact O-CB 3.3Å; S117-S121 PolarHBondContact O-N 3.07Å; S117-S121 PolarHBondContact O-OG 3.37Å; S121-K125 VanDerWaalsContact O-CG 3.31Å; S121-K125 WeakPolarHBondContact O-CG 3.41Å; S121-K125 PolarHBondContact O-N 3.5Å; S121-K125 VanDerWaalsContact O-N 3.14Å
122	K	88	Confident	78.9	Confident	136 Å²	136	109.3 Å²	109.3	59%	0.591	57%	0.571	S	S	*	*	H	α-helix	trans	-71.6	-40.6	178.2	-170	177.6	-178.8	-178.7	0	111.8	K118 L119 I120 K125 Q126	K118-K122 WeakPolarHBondContact O-CB 3.29Å; K118-K122 PolarHBondContact O-N 3.44Å; L119-K122 PolarHBondContact O-N 2.74Å; I120-K122 PolarHBondContact O-N 3.46Å; K122-K125 PolarHBondContact O-N 3.17Å; K122-Q126 PolarHBondContact O-N 3.21Å
123	R	83.4	Confident	76.7	Confident	191 Å²	191	112 Å²	112	72%	0.721	58%	0.581	S	S	*	*	H	α-helix	trans	-64.4	-43.1	175.7	-175.5	180	-76.7	162.5	-4.4	110.9	L119 I120 K125 Q126 S127	L119-R123 PolarHBondContact O-N 2.71Å; I120-R123 PolarHBondContact O-N 3.47Å; R123-K125 PolarHBondContact O-N 2.62Å; R123-Q126 CarbonylContact O-C 3.53Å; R123-Q126 WeakPolarHBondContact O-CB 3.39Å; R123-Q126 PolarHBondContact O-N 2.76Å; R123-Q126 VanDerWaalsContact O-N 3.13Å; R123-S127 PolarHBondContact O-N 3.39Å; R123-S127 PolarHBondContact O-OG 3.5Å
124	E	84.4	Confident	74.4	Confident	117 Å²	117	115.3 Å²	115.3	55%	0.547	59%	0.59	S	S	.	*	H	α-helix	trans	-60.9	-43.4	176.4	-71.9	179.5	165.8	0	0	112	I120 Q126 S127 N128	I120-E124 HydrophobicContact CG2-CG 4.46Å; I120-E124 WeakPolarHBondContact O-CG 3.37Å; I120-E124 PolarHBondContact O-N 3.42Å; E124-Q126 VanDerWaalsContact C-N 3.32Å; E124-Q126 PolarHBondContact O-N 2.82Å; E124-S127 VanDerWaalsContact CA-OG 3.28Å; E124-S127 WeakPolarHBondContact CA-OG 3.12Å; E124-S127 PolarHBondContact O-N 3.25Å; E124-S127 PolarHBondContact O-OG 3.19Å; E124-N128 VanDerWaalsContact O-CB 3.31Å; E124-N128 WeakPolarHBondContact O-CB 3.34Å; E124-N128 PolarHBondContact O-N 3.24Å
125	K	80	Confident	72.2	Confident	160 Å²	160	120.2 Å²	120.2	70%	0.696	61%	0.609	S	S	*	*	H	α-helix	trans	-63.1	-36.6	173.8	-73.7	175.3	-177.6	-176.8	0	112.6	S121 K122 R123 N128 C129	S121-K125 VanDerWaalsContact O-CG 3.31Å; S121-K125 WeakPolarHBondContact O-CG 3.41Å; S121-K125 PolarHBondContact O-N 3.5Å; S121-K125 VanDerWaalsContact O-N 3.14Å; K122-K125 PolarHBondContact O-N 3.17Å; R123-K125 PolarHBondContact O-N 2.62Å; K125-N128 PolarHBondContact O-N 3.15Å; K125-C129 PolarHBondContact O-N 3.3Å
126	Q	69.2	Low	70	Confident	123 Å²	123	123 Å²	123	58%	0.575	62%	0.619	S	S	*	*	H	α-helix	trans	-69.1	-38.4	173.8	-86.6	178.5	-7.1	0	0	112.7	K122 R123 E124 N128 C129	K122-Q126 PolarHBondContact O-N 3.21Å; R123-Q126 CarbonylContact O-C 3.53Å; R123-Q126 WeakPolarHBondContact O-CB 3.39Å; R123-Q126 PolarHBondContact O-N 2.76Å; R123-Q126 VanDerWaalsContact O-N 3.13Å; E124-Q126 VanDerWaalsContact C-N 3.32Å; E124-Q126 PolarHBondContact O-N 2.82Å; Q126-N128 VanDerWaalsContact C-N 3.31Å; Q126-C129 CarbonylContact O-C 3.45Å
127	S	61.5	Low	68	Low	89 Å²	89	121.8 Å²	121.8	62%	0.622	62%	0.615	S	S	*	*	H	α-helix	trans	-70.1	-28.8	173.9	48.4	0	0	0	0	112.8	R123 E124	R123-S127 PolarHBondContact O-N 3.39Å; R123-S127 PolarHBondContact O-OG 3.5Å; E124-S127 VanDerWaalsContact CA-OG 3.28Å; E124-S127 WeakPolarHBondContact CA-OG 3.12Å; E124-S127 PolarHBondContact O-N 3.25Å; E124-S127 PolarHBondContact O-OG 3.19Å
128	N	59.7	Low	65.9	Low	149 Å²	149	123.3 Å²	123.3	80%	0.797	62%	0.623	S	S	*	*	H	α-helix	trans	-82.6	-26.3	179.5	-142.6	-0.3	0	0	0	112.5	E124 K125 Q126 G130	E124-N128 VanDerWaalsContact O-CB 3.31Å; E124-N128 WeakPolarHBondContact O-CB 3.34Å; E124-N128 PolarHBondContact O-N 3.24Å; K125-N128 PolarHBondContact O-N 3.15Å; Q126-N128 VanDerWaalsContact C-N 3.31Å; N128-G130 PolarHBondContact O-N 3.25Å
129	C	49.8	Very low	63.9	Low	85 Å²	85	125.8 Å²	125.8	57%	0.574	64%	0.637	S	S	*	*	S	Bend	trans	-88.4	78.1	161.9	-174.7	0	0	0	0	108.6	K125 Q126 S131	K125-C129 PolarHBondContact O-N 3.3Å; Q126-C129 CarbonylContact O-C 3.45Å; C129-S131 PolarHBondContact O-N 3.45Å
130	G	44.6	Very low	62.4	Low	67 Å²	67	123.6 Å²	123.6	69%	0.691	64%	0.644	S	S	*	*			trans	-63.4	56.4	-178.7	0	0	0	0	0	115.3	N128 I132	N128-G130 PolarHBondContact O-N 3.25Å; G130-I132 PolarHBondContact O-N 2.81Å
131	S	47.5	Very low	60.8	Low	83 Å²	83	124 Å²	124	58%	0.58	65%	0.646	S	S	*	*			trans	-76.7	99.4	149.7	59.3	0	0	0	0	106.4	C129 Q133	C129-S131 PolarHBondContact O-N 3.45Å; S131-Q133 VanDerWaalsContact C-N 3.25Å; S131-Q133 PolarHBondContact O-N 2.9Å
132	I	47.8	Very low	59	Low	136 Å²	136	129 Å²	129	70%	0.697	66%	0.663	S	S	*	*			trans	-52.5	102.7	158.3	-61.8	167.9	0	0	0	104.5	G130 R134	G130-I132 PolarHBondContact O-N 2.81Å; I132-R134 HydrophobicContact CG2-CG 3.67Å; I132-R134 PolarHBondContact O-N 2.9Å
133	Q	49.3	Very low	57.4	Low	130 Å²	130	128.8 Å²	128.8	61%	0.607	67%	0.668	S	S	*	*			trans	-67	81.3	164.9	-72.4	-173.3	-0.5	0	0	105.6	S131 F135	S131-Q133 VanDerWaalsContact C-N 3.25Å; S131-Q133 PolarHBondContact O-N 2.9Å; Q133-F135 HydrophobicContact CB-CE2 4.27Å; Q133-F135 WeakPolarHBondContact O-CD2 3.43Å; Q133-F135 PolarHBondContact O-N 3.36Å
134	R	47	Very low	56	Low	212 Å²	212	126.4 Å²	126.4	80%	0.8	67%	0.669	S	S	*	*			trans	-63.1	96.5	160.8	-75.5	-171.1	176.6	162.7	-1.3	104.3	I132 H136	I132-R134 HydrophobicContact CG2-CG 3.67Å; I132-R134 PolarHBondContact O-N 2.9Å; R134-H136 VanDerWaalsContact C-N 3.3Å; R134-H136 PolarHBondContact O-N 2.97Å
135	F	48.1	Very low	54.7	Low	170 Å²	170	131.1 Å²	131.1	75%	0.746	68%	0.683	S	S	*	*			trans	-56.5	104.1	163.7	-70.2	-88	0	0	0	105.9	Q133 I137	Q133-F135 HydrophobicContact CB-CE2 4.27Å; Q133-F135 WeakPolarHBondContact O-CD2 3.43Å; Q133-F135 PolarHBondContact O-N 3.36Å; F135-I137 PolarHBondContact O-N 3.31Å
136	H	48.4	Very low	53.5	Low	161 Å²	161	126.7 Å²	126.7	75%	0.745	67%	0.666	S	S	*	*			trans	-71.3	101.6	176.3	-147.1	-76.8	0	0	0	105.9	R134 P138	R134-H136 VanDerWaalsContact C-N 3.3Å; R134-H136 PolarHBondContact O-N 2.97Å; H136-P138 VanDerWaalsContact O-CD 3.29Å; H136-P138 WeakPolarHBondContact O-CD 3.33Å
137	I	52.9	Low	52.9	Low	80 Å²	80	124.4 Å²	124.4	41%	0.41	66%	0.662	S	S	.	*			trans	-64.5	119.7	170.8	-57.9	179.3	0	0	0	105.2	F135 E139 I141	F135-I137 PolarHBondContact O-N 3.31Å; I137-E139 PolarHBondContact O-N 3.34Å; I137-I141 HydrophobicContact CG2-CB 3.78Å; I137-I141 HydrophobicContact CG2-CD1 3.8Å; I137-I141 HydrophobicContact CG2-CG1 4.07Å; I137-I141 HydrophobicContact CG2-CG2 4.43Å
138	P	51.9	Low	52.9	Low	87 Å²	87	125.6 Å²	125.6	57%	0.565	67%	0.668	S	S	*	*			trans	-56.6	135.6	178.1	-23.4	33.6	0	0	0	110.2	H136 G140 I141	H136-P138 VanDerWaalsContact O-CD 3.29Å; H136-P138 WeakPolarHBondContact O-CD 3.33Å; P138-G140 PolarHBondContact O-N 3.39Å; P138-I141 PolarHBondContact O-N 3.12Å
139	E	52.5	Low	53	Low	194 Å²	194	124 Å²	124	91%	0.907	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	113.7	178.8	-73.6	172.5	161	0	0	109.5	I137	I137-E139 PolarHBondContact O-N 3.34Å
140	G	61	Low	53.1	Low	75 Å²	75	125.3 Å²	125.3	77%	0.773	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.7	-13.4	-176.6	0	0	0	0	0	115.5	P138 Q142	P138-G140 PolarHBondContact O-N 3.39Å; G140-Q142 PolarHBondContact O-N 3.36Å
141	I	58.9	Low	53.7	Low	101 Å²	101	125.9 Å²	125.9	52%	0.518	66%	0.662	S	S	.	*			trans	-83.3	105.8	175.6	-54	-176.3	0	0	0	109.3	I137 P138 L143	I137-I141 HydrophobicContact CG2-CB 3.78Å; I137-I141 HydrophobicContact CG2-CD1 3.8Å; I137-I141 HydrophobicContact CG2-CG1 4.07Å; I137-I141 HydrophobicContact CG2-CG2 4.43Å; P138-I141 PolarHBondContact O-N 3.12Å; I141-L143 PolarHBondContact O-N 2.85Å
142	Q	54.1	Low	53.8	Low	163 Å²	163	130.2 Å²	130.2	76%	0.762	68%	0.678	S	S	*	*			trans	-65.7	125.8	172.3	-67.1	179.5	12.6	0	0	109.7	G140 L144	G140-Q142 PolarHBondContact O-N 3.36Å; Q142-L144 PolarHBondContact O-N 3.43Å
143	L	54	Low	53.7	Low	132 Å²	132	135.8 Å²	135.8	69%	0.691	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-62	9.7	-172.8	-76.1	167.4	0	0	0	116.4	I141 Y145	I141-L143 PolarHBondContact O-N 2.85Å; L143-Y145 VanDerWaalsContact C-N 3.32Å; L143-Y145 PolarHBondContact O-N 3.26Å
144	L	54	Low	53.9	Low	141 Å²	141	136.1 Å²	136.1	74%	0.738	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-80.3	0.1	-172.6	-94.2	104.1	0	0	0	115.9	Q142	Q142-L144 PolarHBondContact O-N 3.43Å
145	Y	55.8	Low	54.3	Low	215 Å²	215	132.1 Å²	132.1	84%	0.843	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-137.6	34	-179.2	-68.2	-82.5	0	0	0	114.4	L143	L143-Y145 VanDerWaalsContact C-N 3.32Å; L143-Y145 PolarHBondContact O-N 3.26Å
146	L	55.4	Low	54.6	Low	67 Å²	67	130 Å²	130	35%	0.351	70%	0.698	S	S	.	*			trans	-83.5	127.6	168.3	-106.2	75.3	0	0	0	110.5	L150	L146-L150 HydrophobicContact CD2-CB 3.6Å; L146-L150 HydrophobicContact CD2-CD1 4.27Å; L146-L150 HydrophobicContact CG-CB 4.27Å; L146-L150 HydrophobicContact CG-CD1 4.46Å
147	P	56.9	Low	55	Low	75 Å²	75	128.2 Å²	128.2	49%	0.487	70%	0.695	S	S	.	*			trans	-61.6	149.1	173.2	25.2	-32	0	0	0	110.3	S149 L150	P147-S149 PolarHBondContact O-N 3.45Å; P147-L150 PolarHBondContact O-N 3.44Å
148	P	61.3	Low	55.1	Low	115 Å²	115	131.2 Å²	131.2	75%	0.747	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-52.9	-18.6	-172.3	-28.4	33.9	0	0	0	116	L150 S151	P148-L150 PolarHBondContact O-N 3Å; P148-S151 PolarHBondContact O-OG 2.82Å
149	S	62.7	Low	55.3	Low	114 Å²	114	134.1 Å²	134.1	80%	0.797	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-70.6	-12.5	178.6	-43.2	0	0	0	0	114.7	P147	P147-S149 PolarHBondContact O-N 3.45Å
150	L	51.7	Low	55.5	Low	114 Å²	114	129.9 Å²	129.9	60%	0.597	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-118.4	0.4	-175.9	-66.6	176.9	0	0	0	114.2	L146 P147 P148 L152	L146-L150 HydrophobicContact CD2-CB 3.6Å; L146-L150 HydrophobicContact CD2-CD1 4.27Å; L146-L150 HydrophobicContact CG-CB 4.27Å; L146-L150 HydrophobicContact CG-CD1 4.46Å; P147-L150 PolarHBondContact O-N 3.44Å; P148-L150 PolarHBondContact O-N 3Å; L150-L152 PolarHBondContact O-N 2.85Å; L150-L152 VanDerWaalsContact O-N 3.16Å
151	S	55.9	Low	55.1	Low	78 Å²	78	134.1 Å²	134.1	55%	0.545	71%	0.705	S	S	.	*			trans	-79.9	91.4	169.8	47	0	0	0	0	109.3	P148 H153	P148-S151 PolarHBondContact O-OG 2.82Å; S151-H153 PolarHBondContact O-N 3.14Å
152	L	51	Low	54.8	Low	175 Å²	175	136.8 Å²	136.8	92%	0.916	72%	0.72	S	S	*	*			trans	-66.4	108.4	165.7	-86.2	151.3	0	0	0	108.2	L150	L150-L152 PolarHBondContact O-N 2.85Å; L150-L152 VanDerWaalsContact O-N 3.16Å
153	H	44.4	Very low	54.8	Low	253 Å²	253	134.5 Å²	134.5	100%	1.171	72%	0.717	S	S	*	*			trans	-75.5	0	160.7	-109.6	-64.7	0	0	0	110.4	S151	S151-H153 PolarHBondContact O-N 3.14Å

Retrieved 153 of 153 residues in 40.9 ms (Link to these results)

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