A0A077ZI35_TRITR Loading...

Nuclear transcription factor Y subunit gamma

Component of the sequence-specific heterotrimeric transcription factor (NF-Y) which specifically recognizes a 5'-CCAAT-3' box motif found in the promoters of its target genes. NF-Y can function as both an activator and a repressor, depending on its interacting cofactors.

AlphaFold DB , UniProt , Accession A0A077ZI35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 151 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44	Very low	58.9	Low	250 Å²	250	139.9 Å²	139.9	100%	1.232	75%	0.752	S	S	*	*				0	97.8	0	-79.4	164.2	146.7	0	0	107.9
2	A	52.6	Low	61.8	Low	93 Å²	93	128.3 Å²	128.3	77%	0.769	69%	0.69	S	S	*	*			trans	-99.9	114.1	178.2	0	0	0	0	0	108.7
3	H	44.8	Very low	64.4	Low	187 Å²	187	122.2 Å²	122.2	87%	0.866	66%	0.663	S	S	*	*			trans	-92.7	101.9	159.5	-86.6	33.1	0	0	0	106.7	K5	H3-K5 PolarHBondContact O-N 3.07Å
4	T	46.5	Very low	66.6	Low	134 Å²	134	119.8 Å²	119.8	82%	0.822	65%	0.645	S	S	*	*			trans	-69	96.8	166.1	45.6	0	0	0	0	107.8	D6	T4-D6 PolarHBondContact O-N 2.97Å
5	K	48.3	Very low	68.5	Low	185 Å²	185	121.5 Å²	121.5	80%	0.804	64%	0.639	S	S	*	*			trans	-77.3	98.6	167.9	-157.4	-179.1	-169.9	-175.8	0	106.3	H3 S7	H3-K5 PolarHBondContact O-N 3.07Å; K5-S7 PolarHBondContact O-N 3.23Å; K5-S7 PolarHBondContact O-OG 2.79Å
6	D	47.4	Very low	70.3	Confident	151 Å²	151	116.1 Å²	116.1	81%	0.807	61%	0.611	S	S	*	*			trans	-56.7	95.4	169.5	-172	15.4	0	0	0	107.7	T4	T4-D6 PolarHBondContact O-N 2.97Å
7	S	51	Low	71.8	Confident	83 Å²	83	118.5 Å²	118.5	58%	0.58	62%	0.615	S	S	*	*			trans	-106.1	69.2	-179.7	-52.7	0	0	0	0	104.6	K5 E9	K5-S7 PolarHBondContact O-N 3.23Å; K5-S7 PolarHBondContact O-OG 2.79Å; S7-E9 VanDerWaalsContact C-N 3.34Å; S7-E9 PolarHBondContact O-N 2.94Å
8	S	65.6	Low	73.2	Confident	101 Å²	101	115.8 Å²	115.8	71%	0.706	60%	0.601	S	S	*	*			trans	-59.4	107.4	164.1	50.3	0	0	0	0	106	F10	S8-F10 PolarHBondContact O-N 3.19Å
9	E	72.1	Confident	74.5	Confident	183 Å²	183	110.1 Å²	110.1	86%	0.855	57%	0.571	S	S	*	*			trans	-54.2	126.7	177.3	-82.8	-176.9	146.1	0	0	107.7	S7 N11	S7-E9 VanDerWaalsContact C-N 3.34Å; S7-E9 PolarHBondContact O-N 2.94Å; E9-N11 PolarHBondContact O-N 2.95Å; E9-N11 VanDerWaalsContact O-N 3.13Å
10	F	84.6	Confident	75.7	Confident	88 Å²	88	110.3 Å²	110.3	39%	0.386	56%	0.564	S	S	.	*			trans	-55.5	123.3	171.4	176.8	-87.7	0	0	0	107.8	S8 A12 L84 W87 E91	S8-F10 PolarHBondContact O-N 3.19Å; F10-A12 HydrophobicContact CE1-CB 3.92Å; F10-L84 HydrophobicContact CZ-CD2 4.08Å; F10-W87 AromaticContact CD1-NE1 3.74Å; F10-W87 AromaticContact CE1-CD1 3.48Å; F10-W87 VanDerWaalsContact CE1-CD1 3.48Å; F10-W87 HydrophobicContact CE1-CG 4.2Å; F10-W87 AromaticContact CE1-NE1 3.46Å; F10-E91 WeakPolarHBondContact CD1-OE1 3.44Å
11	N	91.1	Very high	76.7	Confident	84 Å²	84	108.5 Å²	108.5	45%	0.449	56%	0.562	S	S	.	*			trans	-122.6	102.9	-179.9	-175.7	-46.3	0	0	0	108.2	E9 S13 Q14 R15	E9-N11 PolarHBondContact O-N 2.95Å; E9-N11 VanDerWaalsContact O-N 3.13Å; N11-S13 VanDerWaalsContact C-N 3.31Å; N11-S13 PolarHBondContact O-N 3.18Å; N11-S13 WeakPolarHBondContact OD1-CB 3.4Å; N11-S13 PolarHBondContact OD1-N 3.43Å; N11-Q14 HydrophobicContact CB-CB 4.24Å; N11-Q14 PolarHBondContact O-N 3.38Å; N11-Q14 PolarHBondContact OD1-N 3.4Å; N11-R15 PolarHBondContact O-N 3.25Å; N11-R15 VanDerWaalsContact O-N 3.14Å
12	A	93.9	Very high	79.2	Confident	0 Å²	0	100.5 Å²	100.5	0%	0	53%	0.527	C	S	.	.	H	α-helix	trans	-63.3	-37.9	-177.6	0	0	0	0	0	112.3	F10 Q14 R15 L16 W87 I88 E91	F10-A12 HydrophobicContact CE1-CB 3.92Å; A12-Q14 VanDerWaalsContact C-N 3.34Å; A12-Q14 PolarHBondContact O-N 2.87Å; A12-R15 PolarHBondContact O-N 3.02Å; A12-L16 WeakPolarHBondContact O-CB 3.42Å; A12-L16 PolarHBondContact O-N 2.93Å; A12-W87 HydrophobicContact CB-CB 4.27Å; A12-W87 HydrophobicContact CB-CG 4.36Å; A12-I88 HydrophobicContact CB-CG1 3.73Å; A12-E91 PolarHBondContact N-OE2 3.47Å
13	S	94.8	Very high	81.3	Confident	49 Å²	49	97.1 Å²	97.1	34%	0.343	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-40.7	179.8	-60.7	0	0	0	0	112.6	N11 K17	N11-S13 VanDerWaalsContact C-N 3.31Å; N11-S13 PolarHBondContact O-N 3.18Å; N11-S13 WeakPolarHBondContact OD1-CB 3.4Å; N11-S13 PolarHBondContact OD1-N 3.43Å; S13-K17 WeakPolarHBondContact O-CG 3.23Å; S13-K17 PolarHBondContact O-N 2.94Å
14	Q	95.5	Very high	83.7	Confident	89 Å²	89	92.6 Å²	92.6	42%	0.416	48%	0.476	S	S	.	.	H	α-helix	trans	-69.7	-44.7	175.7	-171.7	58	46.6	0	0	111.1	N11 A12 L16 K17 D18	N11-Q14 HydrophobicContact CB-CB 4.24Å; N11-Q14 PolarHBondContact O-N 3.38Å; N11-Q14 PolarHBondContact OD1-N 3.4Å; A12-Q14 VanDerWaalsContact C-N 3.34Å; A12-Q14 PolarHBondContact O-N 2.87Å; Q14-L16 VanDerWaalsContact C-N 3.27Å; Q14-L16 PolarHBondContact O-N 3.4Å; Q14-K17 WeakPolarHBondContact O-CB 3.49Å; Q14-K17 PolarHBondContact O-N 3.38Å; Q14-K17 VanDerWaalsContact O-N 3.16Å; Q14-D18 VanDerWaalsContact NE2-CG 3.35Å; Q14-D18 PolarHBondContact NE2-OD1 2.9Å; Q14-D18 PolarHBondContact NE2-OD2 3.32Å; Q14-D18 PolarHBondContact O-N 2.96Å; Q14-D18 VanDerWaalsContact O-N 3.12Å
15	R	95.9	Very high	86	Confident	146 Å²	146	91 Å²	91	55%	0.551	46%	0.459	S	S	*	.	H	α-helix	trans	-60.3	-37	176.4	-73.7	-163	178.1	-162.1	2.4	112.9	N11 A12 D18 F19 L84	N11-R15 PolarHBondContact O-N 3.25Å; N11-R15 VanDerWaalsContact O-N 3.14Å; A12-R15 PolarHBondContact O-N 3.02Å; R15-D18 PolarHBondContact O-N 3.21Å; R15-F19 WeakPolarHBondContact O-CA 3.4Å; R15-F19 WeakPolarHBondContact O-CB 3.32Å; R15-F19 PolarHBondContact O-N 3.13Å; R15-L84 HydrophobicContact CB-CD1 4.38Å; R15-L84 HydrophobicContact CB-CD2 4Å
16	L	96.6	Very high	88.1	Confident	35 Å²	35	85.4 Å²	85.4	18%	0.183	44%	0.443	C	S	.	.	H	α-helix	trans	-66.2	-40.5	177	-176.4	64	0	0	0	111.6	A12 Q14 D18 F19 E81 L84 R85 I88	A12-L16 WeakPolarHBondContact O-CB 3.42Å; A12-L16 PolarHBondContact O-N 2.93Å; Q14-L16 VanDerWaalsContact C-N 3.27Å; Q14-L16 PolarHBondContact O-N 3.4Å; L16-D18 VanDerWaalsContact C-N 3.33Å; L16-D18 PolarHBondContact O-N 3.22Å; L16-F19 VanDerWaalsContact O-CB 3.31Å; L16-F19 WeakPolarHBondContact O-CB 3.4Å; L16-F19 PolarHBondContact O-N 3.2Å; L16-E81 HydrophobicContact CD1-CG 3.88Å; L16-L84 HydrophobicContact CD1-CB 4.25Å; L16-R85 HydrophobicContact CD1-CG 3.75Å; L16-R85 HydrophobicContact CD2-CG 3.55Å; L16-R85 HydrophobicContact CG-CG 4.32Å; L16-I88 HydrophobicContact CB-CD1 4.48Å; L16-I88 HydrophobicContact CD2-CD1 3.63Å
17	K	96.5	Very high	90.2	Very high	157 Å²	157	80.8 Å²	80.8	68%	0.683	42%	0.418	S	S	*	.	H	α-helix	trans	-61.9	-41.1	176.1	-73.7	174	-176.9	179.2	0	112.5	S13 Q14 F19	S13-K17 WeakPolarHBondContact O-CG 3.23Å; S13-K17 PolarHBondContact O-N 2.94Å; Q14-K17 WeakPolarHBondContact O-CB 3.49Å; Q14-K17 PolarHBondContact O-N 3.38Å; Q14-K17 VanDerWaalsContact O-N 3.16Å; K17-F19 VanDerWaalsContact C-N 3.33Å
18	D	97.2	Very high	92.1	Very high	70 Å²	70	84.2 Å²	84.2	37%	0.374	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1.1	-178	-55.5	-30.9	0	0	0	112.7	Q14 R15 L16 S21 T22	Q14-D18 VanDerWaalsContact NE2-CG 3.35Å; Q14-D18 PolarHBondContact NE2-OD1 2.9Å; Q14-D18 PolarHBondContact NE2-OD2 3.32Å; Q14-D18 PolarHBondContact O-N 2.96Å; Q14-D18 VanDerWaalsContact O-N 3.12Å; R15-D18 PolarHBondContact O-N 3.21Å; L16-D18 VanDerWaalsContact C-N 3.33Å; L16-D18 PolarHBondContact O-N 3.22Å; D18-S21 PolarHBondContact O-OG 2.64Å; D18-T22 VanDerWaalsContact O-CB 3.27Å; D18-T22 WeakPolarHBondContact O-CB 3.47Å; D18-T22 PolarHBondContact O-N 3.21Å; D18-T22 PolarHBondContact O-OG1 3.17Å
19	F	97.8	Very high	93.2	Very high	7 Å²	7	86.6 Å²	86.6	3%	0.031	42%	0.423	C	S	.	.	H	α-helix	trans	-60.8	-58.6	-170.3	175	-103	0	0	0	111.4	R15 L16 K17 S21 T22 Q23 L77 E80 E81 L84	R15-F19 WeakPolarHBondContact O-CA 3.4Å; R15-F19 WeakPolarHBondContact O-CB 3.32Å; R15-F19 PolarHBondContact O-N 3.13Å; L16-F19 VanDerWaalsContact O-CB 3.31Å; L16-F19 WeakPolarHBondContact O-CB 3.4Å; L16-F19 PolarHBondContact O-N 3.2Å; K17-F19 VanDerWaalsContact C-N 3.33Å; F19-S21 PolarHBondContact O-N 3.35Å; F19-T22 PolarHBondContact O-N 2.76Å; F19-Q23 HydrophobicContact CD1-CG 4.44Å; F19-Q23 HydrophobicContact CD2-CG 3.99Å; F19-Q23 HydrophobicContact CE1-CG 4.14Å; F19-Q23 HydrophobicContact CE2-CG 3.65Å; F19-Q23 HydrophobicContact CG-CG 4.38Å; F19-Q23 HydrophobicContact CZ-CG 3.74Å; F19-Q23 WeakPolarHBondContact O-CB 3.44Å; F19-Q23 VanDerWaalsContact O-CG 3.23Å; F19-Q23 WeakPolarHBondContact O-CG 3.35Å; F19-Q23 PolarHBondContact O-N 3.23Å; F19-L77 HydrophobicContact CZ-CB 4.47Å; F19-L77 HydrophobicContact CZ-CD2 4.14Å; F19-E80 HydrophobicContact CE2-CB 3.9Å; F19-E80 HydrophobicContact CE2-CG 3.68Å; F19-E80 HydrophobicContact CZ-CB 4.17Å; F19-E80 HydrophobicContact CZ-CG 4.45Å; F19-E81 HydrophobicContact CD1-CB 4.19Å; F19-E81 HydrophobicContact CD1-CG 4.17Å; F19-E81 HydrophobicContact CE1-CB 3.7Å; F19-E81 HydrophobicContact CE1-CG 4.14Å; F19-E81 HydrophobicContact CZ-CB 3.95Å; F19-L84 HydrophobicContact CB-CD1 4.5Å; F19-L84 HydrophobicContact CD2-CD1 3.76Å; F19-L84 HydrophobicContact CE2-CD1 4.4Å; F19-L84 HydrophobicContact CG-CD1 4.36Å
20	W	97.5	Very high	93.9	Very high	113 Å²	113	81 Å²	81	43%	0.428	40%	0.398	S	S	.	.	H	α-helix	trans	-68.2	-36.1	-174.5	-78	109.4	0	0	0	112.6	Q23 M24 L77 E81	W20-Q23 PolarHBondContact O-N 3.05Å; W20-M24 VanDerWaalsContact O-CB 3.23Å; W20-M24 WeakPolarHBondContact O-CB 3.18Å; W20-M24 WeakPolarHBondContact O-CG 3.49Å; W20-M24 PolarHBondContact O-N 3.26Å; W20-L77 HydrophobicContact CH2-CB 4.45Å; W20-L77 HydrophobicContact CH2-CD1 4.4Å; W20-L77 HydrophobicContact CZ3-CD1 4.14Å; W20-E81 WeakPolarHBondContact CZ2-OE2 3.38Å; W20-E81 PolarHBondContact NE1-OE1 2.78Å; W20-E81 PolarHBondContact NE1-OE2 3.06Å
21	S	97.4	Very high	93.9	Very high	74 Å²	74	81.5 Å²	81.5	52%	0.517	41%	0.405	S	S	.	.	H	α-helix	trans	-63	-44.9	174.6	53	0	0	0	0	111.4	D18 F19 M24 E25	D18-S21 PolarHBondContact O-OG 2.64Å; F19-S21 PolarHBondContact O-N 3.35Å; S21-M24 PolarHBondContact O-N 2.71Å; S21-E25 PolarHBondContact O-N 3.34Å; S21-E25 VanDerWaalsContact O-N 3.07Å
22	T	96.7	Very high	93.4	Very high	82 Å²	82	82.2 Å²	82.2	50%	0.503	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-45.3	177.5	-55.8	0	0	0	0	111.8	D18 F19 S26	D18-T22 VanDerWaalsContact O-CB 3.27Å; D18-T22 WeakPolarHBondContact O-CB 3.47Å; D18-T22 PolarHBondContact O-N 3.21Å; D18-T22 PolarHBondContact O-OG1 3.17Å; F19-T22 PolarHBondContact O-N 2.76Å; T22-S26 WeakPolarHBondContact O-CB 3.42Å; T22-S26 PolarHBondContact O-N 2.91Å
23	Q	96.2	Very high	92.7	Very high	21 Å²	21	85.3 Å²	85.3	10%	0.098	44%	0.44	C	S	.	.	H	α-helix	trans	-68.5	-38.6	-179.3	-66.9	-67.4	-20.5	0	0	111.7	F19 W20 S26 L27 L77 E80	F19-Q23 HydrophobicContact CD1-CG 4.44Å; F19-Q23 HydrophobicContact CD2-CG 3.99Å; F19-Q23 HydrophobicContact CE1-CG 4.14Å; F19-Q23 HydrophobicContact CE2-CG 3.65Å; F19-Q23 HydrophobicContact CG-CG 4.38Å; F19-Q23 HydrophobicContact CZ-CG 3.74Å; F19-Q23 WeakPolarHBondContact O-CB 3.44Å; F19-Q23 VanDerWaalsContact O-CG 3.23Å; F19-Q23 WeakPolarHBondContact O-CG 3.35Å; F19-Q23 PolarHBondContact O-N 3.23Å; W20-Q23 PolarHBondContact O-N 3.05Å; Q23-S26 WeakPolarHBondContact O-CB 3.4Å; Q23-S26 PolarHBondContact O-N 3.4Å; Q23-L27 WeakPolarHBondContact O-CB 3.31Å; Q23-L27 VanDerWaalsContact O-CG 3.25Å; Q23-L27 WeakPolarHBondContact O-CG 3.48Å; Q23-L27 PolarHBondContact O-N 3.18Å; Q23-L77 HydrophobicContact CB-CD2 3.85Å; Q23-L77 HydrophobicContact CG-CD2 3.66Å; Q23-E80 PolarHBondContact NE2-OE1 2.87Å; Q23-E80 PolarHBondContact NE2-OE2 3.14Å
24	M	94.9	Very high	92	Very high	92 Å²	92	85 Å²	85	45%	0.453	44%	0.438	S	S	.	.	H	α-helix	trans	-64.2	-45	176.1	-73.6	-64.5	-64.4	0	0	111.8	W20 S21 S26 L27 E28	W20-M24 VanDerWaalsContact O-CB 3.23Å; W20-M24 WeakPolarHBondContact O-CB 3.18Å; W20-M24 WeakPolarHBondContact O-CG 3.49Å; W20-M24 PolarHBondContact O-N 3.26Å; S21-M24 PolarHBondContact O-N 2.71Å; M24-S26 VanDerWaalsContact C-N 3.28Å; M24-S26 PolarHBondContact O-N 3.42Å; M24-L27 PolarHBondContact O-N 3.43Å; M24-L27 HydrophobicContact SD-CD1 4.38Å; M24-E28 WeakPolarHBondContact O-CG 3.23Å; M24-E28 PolarHBondContact O-N 2.63Å
25	E	95.6	Very high	91	Very high	102 Å²	102	83.4 Å²	83.4	48%	0.477	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-38.3	175.3	-174	-176.7	171.9	0	0	111.8	S21 K29	S21-E25 PolarHBondContact O-N 3.34Å; S21-E25 VanDerWaalsContact O-N 3.07Å; E25-K29 WeakPolarHBondContact O-CG 3.37Å; E25-K29 PolarHBondContact O-N 2.82Å; E25-K29 WeakPolarHBondContact OE1-CE 3.33Å; E25-K29 IonicContact OE1-NZ 3.48Å; E25-K29 PolarHBondContact OE1-NZ 3.15Å
26	S	92.1	Very high	89.9	Confident	67 Å²	67	85.1 Å²	85.1	47%	0.469	44%	0.438	S	S	.	.	H	α-helix	trans	-65.2	-42.4	174.7	-174.5	0	0	0	0	112.1	T22 Q23 M24 K29 L30	T22-S26 WeakPolarHBondContact O-CB 3.42Å; T22-S26 PolarHBondContact O-N 2.91Å; Q23-S26 WeakPolarHBondContact O-CB 3.4Å; Q23-S26 PolarHBondContact O-N 3.4Å; M24-S26 VanDerWaalsContact C-N 3.28Å; M24-S26 PolarHBondContact O-N 3.42Å; S26-K29 PolarHBondContact O-N 3.45Å; S26-L30 PolarHBondContact O-N 3.44Å
27	L	91.1	Very high	89	Confident	54 Å²	54	87.2 Å²	87.2	28%	0.283	45%	0.45	S	S	.	.	H	α-helix	trans	-66.5	-38.1	178.2	-75.1	172.6	0	0	0	112.6	Q23 M24 K29 L30 K73 L77	Q23-L27 WeakPolarHBondContact O-CB 3.31Å; Q23-L27 VanDerWaalsContact O-CG 3.25Å; Q23-L27 WeakPolarHBondContact O-CG 3.48Å; Q23-L27 PolarHBondContact O-N 3.18Å; M24-L27 PolarHBondContact O-N 3.43Å; M24-L27 HydrophobicContact SD-CD1 4.38Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 3.2Å; L27-L30 HydrophobicContact CD2-CD2 4.46Å; L27-L30 VanDerWaalsContact O-CB 3.28Å; L27-L30 WeakPolarHBondContact O-CB 3.35Å; L27-L30 PolarHBondContact O-N 3.21Å; L27-K73 HydrophobicContact CD2-CD 4.25Å; L27-K73 HydrophobicContact CD2-CG 3.99Å; L27-L77 HydrophobicContact CD1-CD1 4.29Å
28	E	91	Very high	87.6	Confident	155 Å²	155	82.8 Å²	82.8	72%	0.724	44%	0.442	S	S	*	.	H	α-helix	trans	-64.7	-32.4	176.2	-74.4	178.6	175.7	0	0	112.7	M24 L30	M24-E28 WeakPolarHBondContact O-CG 3.23Å; M24-E28 PolarHBondContact O-N 2.63Å; E28-L30 VanDerWaalsContact C-N 3.29Å
29	K	89.7	Confident	86.4	Confident	151 Å²	151	87.6 Å²	87.6	66%	0.657	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-9	177.6	-67.2	172.4	-171.5	172.4	0	113.1	E25 S26 L27	E25-K29 WeakPolarHBondContact O-CG 3.37Å; E25-K29 PolarHBondContact O-N 2.82Å; E25-K29 WeakPolarHBondContact OE1-CE 3.33Å; E25-K29 IonicContact OE1-NZ 3.48Å; E25-K29 PolarHBondContact OE1-NZ 3.15Å; S26-K29 PolarHBondContact O-N 3.45Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 3.2Å
30	L	85.7	Confident	85.4	Confident	65 Å²	65	90 Å²	90	34%	0.34	48%	0.483	S	S	.	.	S	Bend	trans	-73.4	131.5	-175.4	-170.1	65	0	0	0	110.9	S26 L27 E28 P32 L35	S26-L30 PolarHBondContact O-N 3.44Å; L27-L30 HydrophobicContact CD2-CD2 4.46Å; L27-L30 VanDerWaalsContact O-CB 3.28Å; L27-L30 WeakPolarHBondContact O-CB 3.35Å; L27-L30 PolarHBondContact O-N 3.21Å; E28-L30 VanDerWaalsContact C-N 3.29Å; L30-P32 WeakPolarHBondContact O-CD 3.49Å; L30-L35 HydrophobicContact CD2-CD1 4.13Å; L30-L35 HydrophobicContact CD2-CD2 3.4Å; L30-L35 HydrophobicContact CD2-CG 3.65Å; L30-L35 HydrophobicContact CG-CG 4.36Å
31	N	84.7	Confident	84.5	Confident	99 Å²	99	85.8 Å²	85.8	53%	0.529	47%	0.468	S	S	.	.			trans	-70.9	121.3	172.7	-177.9	-9.4	0	0	0	109.6	A33 S34	N31-A33 PolarHBondContact O-N 3.36Å; N31-A33 WeakPolarHBondContact OD1-CB 3.31Å; N31-A33 PolarHBondContact OD1-N 3.15Å; N31-S34 PolarHBondContact O-N 3.39Å; N31-S34 PolarHBondContact O-OG 2.93Å
32	P	79.8	Confident	84.1	Confident	98 Å²	98	86.2 Å²	86.2	64%	0.636	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.5	177.9	-25.9	35.2	0	0	0	113.7	L30 S34 L35	L30-P32 WeakPolarHBondContact O-CD 3.49Å; P32-S34 VanDerWaalsContact C-N 3.35Å; P32-L35 WeakPolarHBondContact O-CB 3.37Å; P32-L35 PolarHBondContact O-N 2.99Å
33	A	80	Confident	83.8	Confident	65 Å²	65	84.7 Å²	84.7	54%	0.537	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-32.4	175.6	0	0	0	0	0	112.8	N31 L35 R36	N31-A33 PolarHBondContact O-N 3.36Å; N31-A33 WeakPolarHBondContact OD1-CB 3.31Å; N31-A33 PolarHBondContact OD1-N 3.15Å; A33-L35 VanDerWaalsContact C-N 3.3Å; A33-L35 PolarHBondContact O-N 3.26Å; A33-R36 PolarHBondContact O-N 2.99Å
34	S	80.2	Confident	83.7	Confident	44 Å²	44	87.8 Å²	87.8	31%	0.308	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-73.1	-24.1	179.8	66.3	0	0	0	0	112.4	N31 P32 R36 D37 A40	N31-S34 PolarHBondContact O-N 3.39Å; N31-S34 PolarHBondContact O-OG 2.93Å; P32-S34 VanDerWaalsContact C-N 3.35Å; S34-R36 PolarHBondContact O-N 3.5Å; S34-D37 WeakPolarHBondContact O-CB 3.42Å; S34-D37 PolarHBondContact O-N 3.42Å; S34-D37 VanDerWaalsContact O-N 3.13Å; S34-A40 WeakPolarHBondContact O-CB 3.49Å
35	L	74	Confident	83.6	Confident	54 Å²	54	85.2 Å²	85.2	28%	0.283	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-61.7	-25.1	173.2	-74.8	173.5	0	0	0	112.8	L30 P32 A33 H41 V69	L30-L35 HydrophobicContact CD2-CD1 4.13Å; L30-L35 HydrophobicContact CD2-CD2 3.4Å; L30-L35 HydrophobicContact CD2-CG 3.65Å; L30-L35 HydrophobicContact CG-CG 4.36Å; P32-L35 WeakPolarHBondContact O-CB 3.37Å; P32-L35 PolarHBondContact O-N 2.99Å; A33-L35 VanDerWaalsContact C-N 3.3Å; A33-L35 PolarHBondContact O-N 3.26Å; L35-H41 PolarHBondContact O-CE1 3.46Å; L35-H41 PolarHBondContact O-NE2 3.3Å; L35-V69 HydrophobicContact CB-CG1 3.82Å; L35-V69 HydrophobicContact CD2-CG1 4.29Å; L35-V69 WeakPolarHBondContact O-CG1 3.34Å
36	R	73.3	Confident	83.5	Confident	182 Å²	182	84.1 Å²	84.1	69%	0.687	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-84.7	-11.5	179	-65.3	-177.9	175.8	179.6	-3	113.1	A33 S34 A38 E66	A33-R36 PolarHBondContact O-N 2.99Å; S34-R36 PolarHBondContact O-N 3.5Å; R36-A38 PolarHBondContact O-N 3.43Å; R36-E66 IonicContact NH2-OE1 3.86Å; R36-E66 PolarHBondContact NH2-OE1 3.04Å
37	D	78.5	Confident	83.7	Confident	80 Å²	80	87.4 Å²	87.4	43%	0.428	49%	0.485	S	S	.	.			trans	-73.6	116.6	175.3	-172.9	-5.1	0	0	0	109.6	S34 H39 A40 H41	S34-D37 WeakPolarHBondContact O-CB 3.42Å; S34-D37 PolarHBondContact O-N 3.42Å; S34-D37 VanDerWaalsContact O-N 3.13Å; D37-H39 PolarHBondContact O-N 3.24Å; D37-H39 VanDerWaalsContact O-N 3.16Å; D37-H39 WeakPolarHBondContact OD1-CB 3.5Å; D37-H39 IonicContact OD1-CD2 3.31Å; D37-H39 IonicContact OD1-CG 3.2Å; D37-H39 PolarHBondContact OD1-N 2.89Å; D37-A40 HydrophobicContact CB-CB 4.01Å; D37-A40 WeakPolarHBondContact O-CB 3.23Å; D37-A40 PolarHBondContact O-N 3.25Å; D37-H41 PolarHBondContact O-CD2 2.77Å; D37-H41 VanDerWaalsContact O-CD2 3.27Å
38	A	66.1	Low	84	Confident	63 Å²	63	85.7 Å²	85.7	52%	0.521	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.5	179.3	0	0	0	0	0	112.6	R36	R36-A38 PolarHBondContact O-N 3.43Å
39	H	72.3	Confident	84.2	Confident	171 Å²	171	83.2 Å²	83.2	79%	0.792	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.5	178.2	-61.3	-69.2	0	0	0	113.6	D37	D37-H39 PolarHBondContact O-N 3.24Å; D37-H39 VanDerWaalsContact O-N 3.16Å; D37-H39 WeakPolarHBondContact OD1-CB 3.5Å; D37-H39 IonicContact OD1-CD2 3.31Å; D37-H39 IonicContact OD1-CG 3.2Å; D37-H39 PolarHBondContact OD1-N 2.89Å
40	A	76	Confident	84.5	Confident	58 Å²	58	82.5 Å²	82.5	48%	0.479	46%	0.46	S	S	.	.	S	Bend	trans	-81.9	-12.4	-179.9	0	0	0	0	0	113.9	S34 D37	S34-A40 WeakPolarHBondContact O-CB 3.49Å; D37-A40 HydrophobicContact CB-CB 4.01Å; D37-A40 WeakPolarHBondContact O-CB 3.23Å; D37-A40 PolarHBondContact O-N 3.25Å
41	H	79.9	Confident	85.1	Confident	24 Å²	24	83.8 Å²	83.8	11%	0.111	47%	0.466	C	S	.	.			trans	-101.8	141.4	-175.4	-57.9	-76.3	0	0	0	111.8	L35 D37 L43 A72	L35-H41 PolarHBondContact O-CE1 3.46Å; L35-H41 PolarHBondContact O-NE2 3.3Å; D37-H41 PolarHBondContact O-CD2 2.77Å; D37-H41 VanDerWaalsContact O-CD2 3.27Å; H41-L43 PolarHBondContact O-N 2.71Å; H41-A72 HydrophobicContact CB-CB 4.25Å
42	A	87.7	Confident	85.7	Confident	83 Å²	83	81 Å²	81	69%	0.686	45%	0.451	S	S	*	.	S	Bend	trans	-69.5	-23.1	173.3	0	0	0	0	0	112.5	E76	A42-E76 HydrophobicContact CB-CG 4.21Å; A42-E76 WeakPolarHBondContact CB-OE1 3.44Å; A42-E76 PolarHBondContact N-OE1 3.47Å
43	L	92	Very high	86.5	Confident	51 Å²	51	78.8 Å²	78.8	27%	0.267	43%	0.431	S	S	.	.	S	Bend	trans	-110.1	132.7	-176.4	-62.8	172.5	0	0	0	111.7	H41 L45 I48 C75	H41-L43 PolarHBondContact O-N 2.71Å; L43-L45 PolarHBondContact O-N 3.45Å; L43-I48 HydrophobicContact CB-CD1 4.04Å; L43-C75 HydrophobicContact CD1-CB 3.34Å
44	P	93.3	Very high	87.3	Confident	85 Å²	85	81.7 Å²	81.7	55%	0.552	44%	0.437	S	S	*	.			trans	-71	117.8	-178.6	24.9	-31	0	0	0	112	A46 R47 I48	P44-A46 PolarHBondContact O-N 3.4Å; P44-A46 VanDerWaalsContact O-N 3.12Å; P44-R47 HydrophobicContact CB-CB 4.42Å; P44-R47 HydrophobicContact CG-CB 3.83Å; P44-R47 WeakPolarHBondContact O-CB 3.49Å; P44-R47 PolarHBondContact O-N 3.05Å; P44-I48 PolarHBondContact O-N 2.94Å
45	L	92.9	Very high	88.1	Confident	38 Å²	38	83.6 Å²	83.6	20%	0.199	44%	0.444	C	S	.	.	H	α-helix	trans	-55.1	-35	-177.8	-57.8	-174.6	0	0	0	113.4	L43 R47 I48 K49 P68 V69 A72	L43-L45 PolarHBondContact O-N 3.45Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 3.12Å; L45-I48 HydrophobicContact CD2-CD1 4.3Å; L45-I48 PolarHBondContact O-N 3.22Å; L45-K49 WeakPolarHBondContact O-CB 3.35Å; L45-K49 PolarHBondContact O-N 3.33Å; L45-P68 HydrophobicContact CB-CB 4.4Å; L45-P68 HydrophobicContact CD2-CB 4.43Å; L45-V69 HydrophobicContact CD1-CG2 3.85Å; L45-V69 HydrophobicContact CD2-CG2 4.42Å; L45-A72 HydrophobicContact CD2-CB 3.72Å
46	A	93.3	Very high	89.2	Confident	80 Å²	80	86.6 Å²	86.6	66%	0.661	46%	0.46	S	S	*	.	H	α-helix	trans	-63.2	-35.4	176.6	0	0	0	0	0	112.6	P44 K50	P44-A46 PolarHBondContact O-N 3.4Å; P44-A46 VanDerWaalsContact O-N 3.12Å; A46-K50 WeakPolarHBondContact O-CB 3.19Å; A46-K50 PolarHBondContact O-N 3.47Å
47	R	96.7	Very high	90.2	Very high	136 Å²	136	83.9 Å²	83.9	51%	0.513	46%	0.459	S	S	.	.	H	α-helix	trans	-72.6	-40.9	177.3	-172.1	63.3	174.7	110.7	-3.4	111.1	P44 L45 K50 I51	P44-R47 HydrophobicContact CB-CB 4.42Å; P44-R47 HydrophobicContact CG-CB 3.83Å; P44-R47 WeakPolarHBondContact O-CB 3.49Å; P44-R47 PolarHBondContact O-N 3.05Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 3.12Å; R47-K50 WeakPolarHBondContact O-CB 3.36Å; R47-K50 PolarHBondContact O-N 3.45Å; R47-I51 HydrophobicContact CG-CD1 4.35Å; R47-I51 WeakPolarHBondContact O-CG1 3.13Å; R47-I51 PolarHBondContact O-N 3.16Å
48	I	96	Very high	91	Very high	18 Å²	18	81.8 Å²	81.8	9%	0.092	45%	0.449	C	S	.	.	H	α-helix	trans	-57.9	-52.5	173.8	-62.7	173.1	0	0	0	109.4	L43 P44 L45 K50 I51 M52 P68 L71 A72	L43-I48 HydrophobicContact CB-CD1 4.04Å; P44-I48 PolarHBondContact O-N 2.94Å; L45-I48 HydrophobicContact CD2-CD1 4.3Å; L45-I48 PolarHBondContact O-N 3.22Å; I48-K50 VanDerWaalsContact C-N 3.27Å; I48-K50 PolarHBondContact O-N 3.32Å; I48-I51 WeakPolarHBondContact O-CB 3.3Å; I48-I51 PolarHBondContact O-N 3.32Å; I48-M52 HydrophobicContact CG2-SD 4.28Å; I48-M52 WeakPolarHBondContact O-CG 3.42Å; I48-M52 PolarHBondContact O-N 2.82Å; I48-P68 HydrophobicContact CG2-CB 4.42Å; I48-L71 HydrophobicContact CG2-CB 3.79Å; I48-L71 HydrophobicContact CG2-CD1 4.02Å; I48-A72 VanDerWaalsContact CD1-CA 3.49Å; I48-A72 HydrophobicContact CD1-CB 3.51Å
49	K	95.4	Very high	92.3	Very high	102 Å²	102	84.6 Å²	84.6	44%	0.443	45%	0.449	S	S	.	.	H	α-helix	trans	-56.9	-39.4	176.7	-171.6	176.6	-178.3	175.3	0	112.4	L45 M52 K53 I63	L45-K49 WeakPolarHBondContact O-CB 3.35Å; L45-K49 PolarHBondContact O-N 3.33Å; K49-M52 PolarHBondContact O-N 2.94Å; K49-K53 WeakPolarHBondContact O-CB 3.49Å; K49-K53 VanDerWaalsContact O-CG 3.23Å; K49-K53 WeakPolarHBondContact O-CG 3.49Å; K49-K53 PolarHBondContact O-N 2.94Å; K49-K53 VanDerWaalsContact O-N 3.12Å; K49-I63 HydrophobicContact CG-CD1 4.16Å
50	K	97	Very high	93.4	Very high	137 Å²	137	82.6 Å²	82.6	60%	0.596	45%	0.449	S	S	*	.	H	α-helix	trans	-64.9	-38.1	176.4	-174.5	175.5	-179.2	177.3	0	112.3	A46 R47 I48 K53 L54	A46-K50 WeakPolarHBondContact O-CB 3.19Å; A46-K50 PolarHBondContact O-N 3.47Å; R47-K50 WeakPolarHBondContact O-CB 3.36Å; R47-K50 PolarHBondContact O-N 3.45Å; I48-K50 VanDerWaalsContact C-N 3.27Å; I48-K50 PolarHBondContact O-N 3.32Å; K50-K53 PolarHBondContact O-N 2.94Å; K50-L54 PolarHBondContact O-N 3.34Å
51	I	97.7	Very high	94.3	Very high	92 Å²	92	85.3 Å²	85.3	47%	0.472	45%	0.452	S	S	.	.	H	α-helix	trans	-67.1	-45.7	176.3	-68	165.5	0	0	0	110.3	R47 I48 K53 L54	R47-I51 HydrophobicContact CG-CD1 4.35Å; R47-I51 WeakPolarHBondContact O-CG1 3.13Å; R47-I51 PolarHBondContact O-N 3.16Å; I48-I51 WeakPolarHBondContact O-CB 3.3Å; I48-I51 PolarHBondContact O-N 3.32Å; I51-K53 PolarHBondContact O-N 2.98Å; I51-L54 VanDerWaalsContact O-CB 3.26Å; I51-L54 WeakPolarHBondContact O-CB 3.39Å; I51-L54 WeakPolarHBondContact O-CG 3.29Å; I51-L54 PolarHBondContact O-N 3.47Å
52	M	97.5	Very high	95	Very high	41 Å²	41	93.3 Å²	93.3	20%	0.202	49%	0.492	C	S	.	.	H	α-helix	trans	-56.6	-36.5	175.9	-62.5	170.6	73.7	0	0	112.3	I48 K49 L54 D55 I63 V67 P68 L71	I48-M52 HydrophobicContact CG2-SD 4.28Å; I48-M52 WeakPolarHBondContact O-CG 3.42Å; I48-M52 PolarHBondContact O-N 2.82Å; K49-M52 PolarHBondContact O-N 2.94Å; M52-L54 PolarHBondContact O-N 2.88Å; M52-D55 PolarHBondContact O-N 3.3Å; M52-I63 HydrophobicContact CB-CD1 3.93Å; M52-I63 HydrophobicContact CE-CD1 3.91Å; M52-I63 HydrophobicContact CE-CG1 4.26Å; M52-I63 HydrophobicContact CE-CG2 3.61Å; M52-I63 HydrophobicContact SD-CD1 4.14Å; M52-I63 HydrophobicContact SD-CG2 4.2Å; M52-V67 HydrophobicContact CE-CB 4.37Å; M52-V67 HydrophobicContact CE-CG1 3.43Å; M52-V67 VanDerWaalsContact CE-CG1 3.43Å; M52-V67 HydrophobicContact SD-CG1 4.39Å; M52-P68 HydrophobicContact SD-CG 4.43Å; M52-L71 HydrophobicContact CE-CD1 3.93Å; M52-L71 HydrophobicContact CG-CD1 3.91Å; M52-L71 HydrophobicContact SD-CD1 3.56Å; M52-L71 VanDerWaalsContact SD-CD1 3.56Å
53	K	97.2	Very high	95.2	Very high	51 Å²	51	90.7 Å²	90.7	22%	0.222	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	0.8	179.5	-72.5	-73.2	-173.1	176.4	0	114.7	K49 K50 I51 D55 V58 K59 Q61 I63	K49-K53 WeakPolarHBondContact O-CB 3.49Å; K49-K53 VanDerWaalsContact O-CG 3.23Å; K49-K53 WeakPolarHBondContact O-CG 3.49Å; K49-K53 PolarHBondContact O-N 2.94Å; K49-K53 VanDerWaalsContact O-N 3.12Å; K50-K53 PolarHBondContact O-N 2.94Å; I51-K53 PolarHBondContact O-N 2.98Å; K53-D55 VanDerWaalsContact C-N 3.27Å; K53-V58 HydrophobicContact CD-CG1 4.5Å; K53-V58 PolarHBondContact NZ-O 2.69Å; K53-K59 WeakPolarHBondContact CD-O 3.44Å; K53-K59 PolarHBondContact NZ-O 2.7Å; K53-Q61 PolarHBondContact NZ-O 2.83Å; K53-I63 HydrophobicContact CD-CD1 4.11Å; K53-I63 HydrophobicContact CG-CD1 4Å
54	L	97.2	Very high	95.4	Very high	125 Å²	125	91.4 Å²	91.4	65%	0.654	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.4	170.2	-64.3	175.5	0	0	0	111.7	K50 I51 M52	K50-L54 PolarHBondContact O-N 3.34Å; I51-L54 VanDerWaalsContact O-CB 3.26Å; I51-L54 WeakPolarHBondContact O-CB 3.39Å; I51-L54 WeakPolarHBondContact O-CG 3.29Å; I51-L54 PolarHBondContact O-N 3.47Å; M52-L54 PolarHBondContact O-N 2.88Å
55	D	96.8	Very high	95.3	Very high	85 Å²	85	91.4 Å²	91.4	46%	0.455	48%	0.482	S	S	.	.	S	Bend	trans	-74	123.3	171.6	-170.8	-40.5	0	0	0	109.6	M52 K53 D57 V58 K59	M52-D55 PolarHBondContact O-N 3.3Å; K53-D55 VanDerWaalsContact C-N 3.27Å; D55-D57 VanDerWaalsContact C-N 3.26Å; D55-D57 PolarHBondContact O-N 3.15Å; D55-D57 WeakPolarHBondContact OD1-CB 3.45Å; D55-D57 PolarHBondContact OD1-N 3.26Å; D55-V58 HydrophobicContact CB-CB 4.18Å; D55-V58 HydrophobicContact CB-CG2 4.05Å; D55-V58 PolarHBondContact O-N 3.11Å; D55-V58 VanDerWaalsContact O-N 3.16Å; D55-K59 WeakPolarHBondContact O-CB 3.27Å; D55-K59 PolarHBondContact O-N 2.84Å
56	D	96.1	Very high	95.1	Very high	116 Å²	116	94.1 Å²	94.1	62%	0.62	49%	0.494	S	S	*	.	H	α-helix	trans	-63	-31	-177	-80.3	-36.9	0	0	0	112.5	V58 K59	D56-V58 VanDerWaalsContact C-N 3.32Å; D56-V58 PolarHBondContact O-N 3.04Å; D56-K59 WeakPolarHBondContact O-CB 3.49Å; D56-K59 PolarHBondContact O-N 2.99Å; D56-K59 IonicContact OD1-NZ 3.53Å
57	D	95	Very high	95.2	Very high	125 Å²	125	92.8 Å²	92.8	67%	0.668	48%	0.478	S	S	*	.	H	α-helix	trans	-71.5	-30.1	177.7	-69.8	-27.3	0	0	0	111.5	D55 Q61	D55-D57 VanDerWaalsContact C-N 3.26Å; D55-D57 PolarHBondContact O-N 3.15Å; D55-D57 WeakPolarHBondContact OD1-CB 3.45Å; D55-D57 PolarHBondContact OD1-N 3.26Å; D57-Q61 VanDerWaalsContact O-CD 3.24Å; D57-Q61 WeakPolarHBondContact O-CG 3.42Å; D57-Q61 PolarHBondContact O-NE2 2.76Å
58	V	95.3	Very high	95	Very high	36 Å²	36	86.8 Å²	86.8	22%	0.218	46%	0.456	C	S	.	.	H	α-helix	trans	-89.4	-24.9	178	-178	0	0	0	0	111.6	K53 D55 D56 T60 Q61 I63	K53-V58 HydrophobicContact CD-CG1 4.5Å; K53-V58 PolarHBondContact NZ-O 2.69Å; D55-V58 HydrophobicContact CB-CB 4.18Å; D55-V58 HydrophobicContact CB-CG2 4.05Å; D55-V58 PolarHBondContact O-N 3.11Å; D55-V58 VanDerWaalsContact O-N 3.16Å; D56-V58 VanDerWaalsContact C-N 3.32Å; D56-V58 PolarHBondContact O-N 3.04Å; V58-T60 VanDerWaalsContact C-N 3.28Å; V58-T60 PolarHBondContact O-N 2.99Å; V58-T60 VanDerWaalsContact O-N 3.15Å; V58-Q61 PolarHBondContact O-N 3.14Å; V58-I63 HydrophobicContact CG1-CD1 3.84Å; V58-I63 HydrophobicContact CG1-CG1 4Å
59	K	93.8	Very high	94.8	Very high	123 Å²	123	86.7 Å²	86.7	54%	0.535	46%	0.456	S	S	.	.	H	α-helix	trans	-53.5	-38.6	-172	-174	177	-178.9	178.7	0	114.2	K53 D55 D56	K53-K59 WeakPolarHBondContact CD-O 3.44Å; K53-K59 PolarHBondContact NZ-O 2.7Å; D55-K59 WeakPolarHBondContact O-CB 3.27Å; D55-K59 PolarHBondContact O-N 2.84Å; D56-K59 WeakPolarHBondContact O-CB 3.49Å; D56-K59 PolarHBondContact O-N 2.99Å; D56-K59 IonicContact OD1-NZ 3.53Å
60	T	94.5	Very high	94.7	Very high	128 Å²	128	87.4 Å²	87.4	79%	0.785	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-14.8	-179.7	60	0	0	0	0	113.5	V58	V58-T60 VanDerWaalsContact C-N 3.28Å; V58-T60 PolarHBondContact O-N 2.99Å; V58-T60 VanDerWaalsContact O-N 3.15Å
61	Q	94.4	Very high	94.6	Very high	116 Å²	116	83.9 Å²	83.9	54%	0.542	45%	0.45	S	S	.	.	S	Bend	trans	-79.6	156.6	-176.5	-64.5	-175.4	-6.5	0	0	113	K53 D57 V58	K53-Q61 PolarHBondContact NZ-O 2.83Å; D57-Q61 VanDerWaalsContact O-CD 3.24Å; D57-Q61 WeakPolarHBondContact O-CG 3.42Å; D57-Q61 PolarHBondContact O-NE2 2.76Å; V58-Q61 PolarHBondContact O-N 3.14Å
62	M	94.4	Very high	94.4	Very high	191 Å²	191	79.5 Å²	79.5	94%	0.941	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-79.9	138.1	168.1	-60.8	-176	95.5	0	0	109.4
63	I	93.9	Very high	94.2	Very high	29 Å²	29	79.7 Å²	79.7	15%	0.149	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-103.7	124	174.3	-62.1	168.5	0	0	0	107.1	K49 M52 K53 V58 V67 P68	K49-I63 HydrophobicContact CG-CD1 4.16Å; M52-I63 HydrophobicContact CB-CD1 3.93Å; M52-I63 HydrophobicContact CE-CD1 3.91Å; M52-I63 HydrophobicContact CE-CG1 4.26Å; M52-I63 HydrophobicContact CE-CG2 3.61Å; M52-I63 HydrophobicContact SD-CD1 4.14Å; M52-I63 HydrophobicContact SD-CG2 4.2Å; K53-I63 HydrophobicContact CD-CD1 4.11Å; K53-I63 HydrophobicContact CG-CD1 4Å; V58-I63 HydrophobicContact CG1-CD1 3.84Å; V58-I63 HydrophobicContact CG1-CG1 4Å; I63-V67 HydrophobicContact CG2-CB 4.04Å; I63-V67 HydrophobicContact CG2-CG1 4.4Å; I63-P68 HydrophobicContact CG2-CG 4.16Å
64	S	94.6	Very high	94.1	Very high	65 Å²	65	79.7 Å²	79.7	46%	0.455	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-55.5	141.5	174.3	171.8	0	0	0	0	110.7	E66 V67 P68	S64-E66 PolarHBondContact O-N 2.89Å; S64-E66 VanDerWaalsContact O-N 3.11Å; S64-E66 PolarHBondContact OG-N 3.08Å; S64-V67 PolarHBondContact O-N 2.91Å; S64-V67 VanDerWaalsContact O-N 3.13Å; S64-P68 WeakPolarHBondContact O-CD 3.23Å
65	A	90.8	Very high	94.1	Very high	85 Å²	85	76 Å²	76	70%	0.702	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.9	-179.9	0	0	0	0	0	113.2
66	E	90.6	Very high	94	Very high	96 Å²	96	74 Å²	74	45%	0.449	41%	0.409	S	S	.	.	H	α-helix	trans	-78.6	-25.9	-179.1	-59.8	178.8	153.6	0	0	112.5	R36 S64 V69 M70	R36-E66 IonicContact NH2-OE1 3.86Å; R36-E66 PolarHBondContact NH2-OE1 3.04Å; S64-E66 PolarHBondContact O-N 2.89Å; S64-E66 VanDerWaalsContact O-N 3.11Å; S64-E66 PolarHBondContact OG-N 3.08Å; E66-V69 WeakPolarHBondContact O-CB 3.44Å; E66-V69 PolarHBondContact O-N 3Å; E66-M70 HydrophobicContact CB-CE 3.73Å; E66-M70 WeakPolarHBondContact O-CG 3.41Å; E66-M70 PolarHBondContact O-N 3.37Å
67	V	93.8	Very high	93.9	Very high	52 Å²	52	69 Å²	69	32%	0.315	38%	0.382	S	S	.	.	H	α-helix	trans	-68.4	-47.6	-175.5	178.7	0	0	0	0	112.2	M52 I63 S64 V69 M70 L71	M52-V67 HydrophobicContact CE-CB 4.37Å; M52-V67 HydrophobicContact CE-CG1 3.43Å; M52-V67 VanDerWaalsContact CE-CG1 3.43Å; M52-V67 HydrophobicContact SD-CG1 4.39Å; I63-V67 HydrophobicContact CG2-CB 4.04Å; I63-V67 HydrophobicContact CG2-CG1 4.4Å; S64-V67 PolarHBondContact O-N 2.91Å; S64-V67 VanDerWaalsContact O-N 3.13Å; V67-V69 PolarHBondContact O-N 3.37Å; V67-M70 PolarHBondContact O-N 3.3Å; V67-L71 HydrophobicContact CG1-CD1 4.16Å; V67-L71 PolarHBondContact O-N 3.29Å
68	P	93.7	Very high	94.1	Very high	10 Å²	10	66.2 Å²	66.2	7%	0.065	36%	0.364	C	S	.	.	H	α-helix	trans	-59.8	-34.1	174.9	-25.8	35.5	0	0	0	113.2	L45 I48 M52 I63 S64 A72	L45-P68 HydrophobicContact CB-CB 4.4Å; L45-P68 HydrophobicContact CD2-CB 4.43Å; I48-P68 HydrophobicContact CG2-CB 4.42Å; M52-P68 HydrophobicContact SD-CG 4.43Å; I63-P68 HydrophobicContact CG2-CG 4.16Å; S64-P68 WeakPolarHBondContact O-CD 3.23Å; P68-A72 WeakPolarHBondContact O-CB 3.42Å; P68-A72 PolarHBondContact O-N 3.07Å
69	V	92.1	Very high	94.2	Very high	16 Å²	16	68.7 Å²	68.7	10%	0.097	38%	0.375	C	S	.	.	H	α-helix	trans	-66.7	-47.6	177.3	169.9	0	0	0	0	110.8	L35 L45 E66 V67 L71 A72 K73	L35-V69 HydrophobicContact CB-CG1 3.82Å; L35-V69 HydrophobicContact CD2-CG1 4.29Å; L35-V69 WeakPolarHBondContact O-CG1 3.34Å; L45-V69 HydrophobicContact CD1-CG2 3.85Å; L45-V69 HydrophobicContact CD2-CG2 4.42Å; E66-V69 WeakPolarHBondContact O-CB 3.44Å; E66-V69 PolarHBondContact O-N 3Å; V67-V69 PolarHBondContact O-N 3.37Å; V69-L71 VanDerWaalsContact C-N 3.34Å; V69-L71 PolarHBondContact O-N 3.43Å; V69-A72 WeakPolarHBondContact O-CB 3.45Å; V69-A72 PolarHBondContact O-N 2.62Å; V69-K73 PolarHBondContact O-N 3.05Å
70	M	92.1	Very high	94.4	Very high	116 Å²	116	67 Å²	67	57%	0.571	37%	0.369	S	S	*	.	H	α-helix	trans	-61.3	-43	175.4	-72.9	-174.6	-109.9	0	0	111.8	E66 V67 A72 K73 A74	E66-M70 HydrophobicContact CB-CE 3.73Å; E66-M70 WeakPolarHBondContact O-CG 3.41Å; E66-M70 PolarHBondContact O-N 3.37Å; V67-M70 PolarHBondContact O-N 3.3Å; M70-A72 VanDerWaalsContact C-N 3.35Å; M70-A72 PolarHBondContact O-N 3.5Å; M70-K73 PolarHBondContact O-N 2.96Å; M70-A74 WeakPolarHBondContact O-CB 3.49Å; M70-A74 PolarHBondContact O-N 3.45Å
71	L	95.3	Very high	94.5	Very high	64 Å²	64	61.1 Å²	61.1	34%	0.335	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-36.4	176.7	-78.8	174	0	0	0	112.6	I48 M52 V67 V69 K73 A74 C75	I48-L71 HydrophobicContact CG2-CB 3.79Å; I48-L71 HydrophobicContact CG2-CD1 4.02Å; M52-L71 HydrophobicContact CE-CD1 3.93Å; M52-L71 HydrophobicContact CG-CD1 3.91Å; M52-L71 HydrophobicContact SD-CD1 3.56Å; M52-L71 VanDerWaalsContact SD-CD1 3.56Å; V67-L71 HydrophobicContact CG1-CD1 4.16Å; V67-L71 PolarHBondContact O-N 3.29Å; V69-L71 VanDerWaalsContact C-N 3.34Å; V69-L71 PolarHBondContact O-N 3.43Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.06Å; L71-A74 PolarHBondContact O-N 3.16Å; L71-C75 VanDerWaalsContact O-CB 3.29Å; L71-C75 WeakPolarHBondContact O-CB 3.36Å; L71-C75 PolarHBondContact O-N 3.38Å; L71-C75 PolarHBondContact O-SG 3.03Å
72	A	94.2	Very high	94.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.4	-49.4	174.4	0	0	0	0	0	110.3	H41 L45 I48 P68 V69 M70 C75 E76	H41-A72 HydrophobicContact CB-CB 4.25Å; L45-A72 HydrophobicContact CD2-CB 3.72Å; I48-A72 VanDerWaalsContact CD1-CA 3.49Å; I48-A72 HydrophobicContact CD1-CB 3.51Å; P68-A72 WeakPolarHBondContact O-CB 3.42Å; P68-A72 PolarHBondContact O-N 3.07Å; V69-A72 WeakPolarHBondContact O-CB 3.45Å; V69-A72 PolarHBondContact O-N 2.62Å; M70-A72 VanDerWaalsContact C-N 3.35Å; M70-A72 PolarHBondContact O-N 3.5Å; A72-C75 PolarHBondContact O-N 2.94Å; A72-E76 WeakPolarHBondContact O-CG 3.29Å; A72-E76 PolarHBondContact O-N 2.92Å
73	K	92.3	Very high	94.9	Very high	45 Å²	45	50.4 Å²	50.4	20%	0.196	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-41.2	178.9	-172.7	56.8	-176.6	169.2	0	112.8	L27 V69 M70 L71 C75 E76 L77	L27-K73 HydrophobicContact CD2-CD 4.25Å; L27-K73 HydrophobicContact CD2-CG 3.99Å; V69-K73 PolarHBondContact O-N 3.05Å; M70-K73 PolarHBondContact O-N 2.96Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.06Å; K73-C75 VanDerWaalsContact C-N 3.34Å; K73-C75 PolarHBondContact O-N 3.41Å; K73-E76 WeakPolarHBondContact CD-OE2 3.24Å; K73-E76 IonicContact NZ-OE2 3.35Å; K73-E76 PolarHBondContact NZ-OE2 2.88Å; K73-E76 WeakPolarHBondContact O-CB 3.46Å; K73-E76 PolarHBondContact O-N 3.47Å; K73-L77 HydrophobicContact CG-CD1 4.42Å; K73-L77 WeakPolarHBondContact O-CG 3.35Å; K73-L77 PolarHBondContact O-N 3.03Å
74	A	94.9	Very high	95	Very high	51 Å²	51	49.9 Å²	49.9	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-42.4	176.3	0	0	0	0	0	111.8	M70 L71 L77 F78	M70-A74 WeakPolarHBondContact O-CB 3.49Å; M70-A74 PolarHBondContact O-N 3.45Å; L71-A74 PolarHBondContact O-N 3.16Å; A74-L77 PolarHBondContact O-N 3.41Å; A74-F78 VanDerWaalsContact O-CB 3.24Å; A74-F78 WeakPolarHBondContact O-CB 3.36Å; A74-F78 PolarHBondContact O-N 3Å
75	C	96.9	Very high	95.2	Very high	47 Å²	47	48.9 Å²	48.9	32%	0.318	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-38.2	176.3	-72.9	0	0	0	0	112.4	L43 L71 A72 K73 F78 I79	L43-C75 HydrophobicContact CD1-CB 3.34Å; L71-C75 VanDerWaalsContact O-CB 3.29Å; L71-C75 WeakPolarHBondContact O-CB 3.36Å; L71-C75 PolarHBondContact O-N 3.38Å; L71-C75 PolarHBondContact O-SG 3.03Å; A72-C75 PolarHBondContact O-N 2.94Å; K73-C75 VanDerWaalsContact C-N 3.34Å; K73-C75 PolarHBondContact O-N 3.41Å; C75-F78 PolarHBondContact O-N 2.85Å; C75-I79 WeakPolarHBondContact O-CB 3.32Å; C75-I79 WeakPolarHBondContact O-CD1 3.43Å; C75-I79 VanDerWaalsContact O-CG1 3.23Å; C75-I79 WeakPolarHBondContact O-CG1 3.28Å; C75-I79 PolarHBondContact O-N 3.31Å
76	E	94.6	Very high	95.5	Very high	42 Å²	42	44.9 Å²	44.9	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-51.5	172.5	-74.8	175.3	-177.8	0	0	111.3	A42 A72 K73 F78 I79 E80	A42-E76 HydrophobicContact CB-CG 4.21Å; A42-E76 WeakPolarHBondContact CB-OE1 3.44Å; A42-E76 PolarHBondContact N-OE1 3.47Å; A72-E76 WeakPolarHBondContact O-CG 3.29Å; A72-E76 PolarHBondContact O-N 2.92Å; K73-E76 WeakPolarHBondContact CD-OE2 3.24Å; K73-E76 IonicContact NZ-OE2 3.35Å; K73-E76 PolarHBondContact NZ-OE2 2.88Å; K73-E76 WeakPolarHBondContact O-CB 3.46Å; K73-E76 PolarHBondContact O-N 3.47Å; E76-F78 PolarHBondContact O-N 3.39Å; E76-I79 PolarHBondContact O-N 3.07Å; E76-E80 PolarHBondContact O-N 3.38Å
77	L	95.8	Very high	95.9	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-43.9	179	-65.8	172.5	0	0	0	111.8	F19 W20 Q23 L27 K73 A74 E80 E81	F19-L77 HydrophobicContact CZ-CB 4.47Å; F19-L77 HydrophobicContact CZ-CD2 4.14Å; W20-L77 HydrophobicContact CH2-CB 4.45Å; W20-L77 HydrophobicContact CH2-CD1 4.4Å; W20-L77 HydrophobicContact CZ3-CD1 4.14Å; Q23-L77 HydrophobicContact CB-CD2 3.85Å; Q23-L77 HydrophobicContact CG-CD2 3.66Å; L27-L77 HydrophobicContact CD1-CD1 4.29Å; K73-L77 HydrophobicContact CG-CD1 4.42Å; K73-L77 WeakPolarHBondContact O-CG 3.35Å; K73-L77 PolarHBondContact O-N 3.03Å; A74-L77 PolarHBondContact O-N 3.41Å; L77-E80 PolarHBondContact O-N 3.48Å; L77-E81 WeakPolarHBondContact O-CB 3.41Å; L77-E81 PolarHBondContact O-N 3.24Å
78	F	97.8	Very high	96	Very high	65 Å²	65	42 Å²	42	29%	0.285	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-45.6	178.7	173.3	-99.1	0	0	0	112.2	A74 C75 E76 L82 Y113 F115 L116	A74-F78 VanDerWaalsContact O-CB 3.24Å; A74-F78 WeakPolarHBondContact O-CB 3.36Å; A74-F78 PolarHBondContact O-N 3Å; C75-F78 PolarHBondContact O-N 2.85Å; E76-F78 PolarHBondContact O-N 3.39Å; F78-L82 HydrophobicContact CE1-CD2 4.03Å; F78-L82 HydrophobicContact CZ-CD2 3.85Å; F78-L82 WeakPolarHBondContact O-CB 3.47Å; F78-L82 PolarHBondContact O-N 3.09Å; F78-Y113 HydrophobicContact CD2-CE1 4.41Å; F78-Y113 HydrophobicContact CE2-CD1 4Å; F78-Y113 AromaticContact CE2-CE1 3.78Å; F78-Y113 HydrophobicContact CE2-CE1 3.78Å; F78-F115 HydrophobicContact CE2-CE1 4.2Å; F78-F115 AromaticContact CE2-CZ 3.65Å; F78-F115 HydrophobicContact CE2-CZ 3.65Å; F78-F115 AromaticContact CZ-CZ 3.75Å; F78-F115 HydrophobicContact CZ-CZ 3.75Å; F78-L116 HydrophobicContact CZ-CD1 4.17Å
79	I	97.8	Very high	96.1	Very high	88 Å²	88	43.1 Å²	43.1	45%	0.451	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-43.2	177.9	-69.7	166.4	0	0	0	110.1	C75 E76 T83	C75-I79 WeakPolarHBondContact O-CB 3.32Å; C75-I79 WeakPolarHBondContact O-CD1 3.43Å; C75-I79 VanDerWaalsContact O-CG1 3.23Å; C75-I79 WeakPolarHBondContact O-CG1 3.28Å; C75-I79 PolarHBondContact O-N 3.31Å; E76-I79 PolarHBondContact O-N 3.07Å; I79-T83 WeakPolarHBondContact O-CB 3.25Å; I79-T83 PolarHBondContact O-N 2.95Å; I79-T83 PolarHBondContact O-OG1 3.25Å
80	E	97.2	Very high	96.4	Very high	88 Å²	88	42.3 Å²	42.3	41%	0.411	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-49.2	-179.3	-165.9	177.9	165.9	0	0	111.8	F19 Q23 E76 L77 T83 L84	F19-E80 HydrophobicContact CE2-CB 3.9Å; F19-E80 HydrophobicContact CE2-CG 3.68Å; F19-E80 HydrophobicContact CZ-CB 4.17Å; F19-E80 HydrophobicContact CZ-CG 4.45Å; Q23-E80 PolarHBondContact NE2-OE1 2.87Å; Q23-E80 PolarHBondContact NE2-OE2 3.14Å; E76-E80 PolarHBondContact O-N 3.38Å; L77-E80 PolarHBondContact O-N 3.48Å; E80-T83 PolarHBondContact O-N 3.47Å; E80-L84 WeakPolarHBondContact O-CG 3.1Å; E80-L84 PolarHBondContact O-N 3.37Å
81	E	97.8	Very high	96.6	Very high	5 Å²	5	39.9 Å²	39.9	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-48.9	178.6	-169.9	-173.5	177.3	0	0	111.8	L16 F19 W20 L77 T83 L84 R85	L16-E81 HydrophobicContact CD1-CG 3.88Å; F19-E81 HydrophobicContact CD1-CB 4.19Å; F19-E81 HydrophobicContact CD1-CG 4.17Å; F19-E81 HydrophobicContact CE1-CB 3.7Å; F19-E81 HydrophobicContact CE1-CG 4.14Å; F19-E81 HydrophobicContact CZ-CB 3.95Å; W20-E81 WeakPolarHBondContact CZ2-OE2 3.38Å; W20-E81 PolarHBondContact NE1-OE1 2.78Å; W20-E81 PolarHBondContact NE1-OE2 3.06Å; L77-E81 WeakPolarHBondContact O-CB 3.41Å; L77-E81 PolarHBondContact O-N 3.24Å; E81-T83 PolarHBondContact O-N 3.2Å; E81-L84 WeakPolarHBondContact O-CB 3.43Å; E81-L84 PolarHBondContact O-N 2.89Å; E81-L84 VanDerWaalsContact O-N 3.15Å; E81-R85 WeakPolarHBondContact O-CG 3.23Å; E81-R85 PolarHBondContact O-N 3.12Å; E81-R85 IonicContact OE1-CZ 2.71Å; E81-R85 IonicContact OE1-NE 2.77Å; E81-R85 PolarHBondContact OE1-NE 3.08Å; E81-R85 VanDerWaalsContact OE1-NE 3.09Å; E81-R85 IonicContact OE1-NH2 3.3Å; E81-R85 PolarHBondContact OE1-NH2 2.81Å
82	L	97.9	Very high	96.6	Very high	22 Å²	22	42.9 Å²	42.9	12%	0.115	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-37.4	179.6	-179.2	60.7	0	0	0	111	F78 R85 A86 I103 A106 V107 Y113	F78-L82 HydrophobicContact CE1-CD2 4.03Å; F78-L82 HydrophobicContact CZ-CD2 3.85Å; F78-L82 WeakPolarHBondContact O-CB 3.47Å; F78-L82 PolarHBondContact O-N 3.09Å; L82-R85 PolarHBondContact O-N 3.16Å; L82-A86 WeakPolarHBondContact O-CB 3.5Å; L82-A86 PolarHBondContact O-N 3.24Å; L82-I103 HydrophobicContact CD2-CG2 4.4Å; L82-A106 HydrophobicContact CD1-CB 4.35Å; L82-V107 HydrophobicContact CD1-CG2 3.92Å; L82-Y113 HydrophobicContact CD1-CE1 4.37Å
83	T	97.9	Very high	96.6	Very high	60 Å²	60	47 Å²	47	37%	0.368	24%	0.237	S	C	.	.	H	α-helix	trans	-65.8	-42.6	175.7	-59.3	0	0	0	0	111.2	I79 E80 E81 A86 W87 L98	I79-T83 WeakPolarHBondContact O-CB 3.25Å; I79-T83 PolarHBondContact O-N 2.95Å; I79-T83 PolarHBondContact O-OG1 3.25Å; E80-T83 PolarHBondContact O-N 3.47Å; E81-T83 PolarHBondContact O-N 3.2Å; T83-A86 PolarHBondContact O-N 2.71Å; T83-W87 VanDerWaalsContact O-CB 3.23Å; T83-W87 WeakPolarHBondContact O-CB 3.46Å; T83-W87 PolarHBondContact O-N 2.98Å; T83-L98 HydrophobicContact CG2-CD2 4.28Å
84	L	97.8	Very high	96.8	Very high	17 Å²	17	54 Å²	54	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-45.7	175.4	-74.9	171.3	0	0	0	111.6	F10 R15 L16 F19 E80 E81 W87 I88	F10-L84 HydrophobicContact CZ-CD2 4.08Å; R15-L84 HydrophobicContact CB-CD1 4.38Å; R15-L84 HydrophobicContact CB-CD2 4Å; L16-L84 HydrophobicContact CD1-CB 4.25Å; F19-L84 HydrophobicContact CB-CD1 4.5Å; F19-L84 HydrophobicContact CD2-CD1 3.76Å; F19-L84 HydrophobicContact CE2-CD1 4.4Å; F19-L84 HydrophobicContact CG-CD1 4.36Å; E80-L84 WeakPolarHBondContact O-CG 3.1Å; E80-L84 PolarHBondContact O-N 3.37Å; E81-L84 WeakPolarHBondContact O-CB 3.43Å; E81-L84 PolarHBondContact O-N 2.89Å; E81-L84 VanDerWaalsContact O-N 3.15Å; L84-W87 PolarHBondContact O-N 3.14Å; L84-I88 PolarHBondContact O-N 2.92Å; L84-I88 VanDerWaalsContact O-N 3.15Å
85	R	97.7	Very high	96.9	Very high	45 Å²	45	54.4 Å²	54.4	17%	0.17	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-45.4	177.5	-71.5	173.2	180	-112.2	16.4	112.3	L16 E81 L82 W87 I88 A106 D110 Y113	L16-R85 HydrophobicContact CD1-CG 3.75Å; L16-R85 HydrophobicContact CD2-CG 3.55Å; L16-R85 HydrophobicContact CG-CG 4.32Å; E81-R85 WeakPolarHBondContact O-CG 3.23Å; E81-R85 PolarHBondContact O-N 3.12Å; E81-R85 IonicContact OE1-CZ 2.71Å; E81-R85 IonicContact OE1-NE 2.77Å; E81-R85 PolarHBondContact OE1-NE 3.08Å; E81-R85 VanDerWaalsContact OE1-NE 3.09Å; E81-R85 IonicContact OE1-NH2 3.3Å; E81-R85 PolarHBondContact OE1-NH2 2.81Å; L82-R85 PolarHBondContact O-N 3.16Å; R85-W87 VanDerWaalsContact C-N 3.29Å; R85-W87 PolarHBondContact O-N 2.88Å; R85-I88 WeakPolarHBondContact O-CB 3.33Å; R85-I88 PolarHBondContact O-N 3.15Å; R85-A106 HydrophobicContact CB-CB 3.9Å; R85-D110 IonicContact CZ-OD2 3.08Å; R85-D110 VanDerWaalsContact CZ-OD2 3.31Å; R85-D110 IonicContact NH1-OD2 3.3Å; R85-D110 PolarHBondContact NH1-OD2 3.08Å; R85-D110 IonicContact NH2-OD2 3.66Å; R85-D110 PolarHBondContact NH2-OD2 3.33Å; R85-Y113 WeakPolarHBondContact CD-OH 3.11Å; R85-Y113 PolarHBondContact NE-OH 3.29Å; R85-Y113 VanDerWaalsContact NE-OH 3.08Å
86	A	97.5	Very high	96.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-34.7	175.2	0	0	0	0	0	111.8	L82 T83 I88 H89 T90 L98 D102 I103 A106	L82-A86 WeakPolarHBondContact O-CB 3.5Å; L82-A86 PolarHBondContact O-N 3.24Å; T83-A86 PolarHBondContact O-N 2.71Å; A86-I88 VanDerWaalsContact C-N 3.31Å; A86-I88 PolarHBondContact O-N 2.8Å; A86-H89 PolarHBondContact O-N 3.03Å; A86-T90 PolarHBondContact O-N 3.34Å; A86-T90 PolarHBondContact O-OG1 3.13Å; A86-L98 HydrophobicContact CB-CD1 3.74Å; A86-D102 HydrophobicContact CB-CB 4.13Å; A86-D102 WeakPolarHBondContact O-CB 3.37Å; A86-I103 HydrophobicContact CB-CG1 3.98Å; A86-A106 HydrophobicContact CB-CB 4.11Å
87	W	98	Very high	97	Very high	63 Å²	63	63.8 Å²	63.8	24%	0.239	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-32.5	178.5	-166.2	-87.3	0	0	0	113	F10 A12 T83 L84 R85 H89 T90 E91 L98	F10-W87 AromaticContact CD1-NE1 3.74Å; F10-W87 AromaticContact CE1-CD1 3.48Å; F10-W87 VanDerWaalsContact CE1-CD1 3.48Å; F10-W87 HydrophobicContact CE1-CG 4.2Å; F10-W87 AromaticContact CE1-NE1 3.46Å; A12-W87 HydrophobicContact CB-CB 4.27Å; A12-W87 HydrophobicContact CB-CG 4.36Å; T83-W87 VanDerWaalsContact O-CB 3.23Å; T83-W87 WeakPolarHBondContact O-CB 3.46Å; T83-W87 PolarHBondContact O-N 2.98Å; L84-W87 PolarHBondContact O-N 3.14Å; R85-W87 VanDerWaalsContact C-N 3.29Å; R85-W87 PolarHBondContact O-N 2.88Å; W87-H89 VanDerWaalsContact C-N 3.27Å; W87-H89 PolarHBondContact O-N 2.77Å; W87-T90 HydrophobicContact CE3-CG2 4.33Å; W87-T90 HydrophobicContact CH2-CG2 4.44Å; W87-T90 HydrophobicContact CZ3-CG2 4.29Å; W87-T90 WeakPolarHBondContact O-CA 3.42Å; W87-T90 VanDerWaalsContact O-CB 3.23Å; W87-T90 WeakPolarHBondContact O-CB 3.43Å; W87-T90 PolarHBondContact O-N 3.36Å; W87-E91 VanDerWaalsContact CD1-CD 3.41Å; W87-E91 PolarHBondContact NE1-OE1 3.08Å; W87-E91 PolarHBondContact O-N 3.23Å; W87-L98 HydrophobicContact CE3-CB 4.08Å; W87-L98 HydrophobicContact CE3-CD1 4.36Å; W87-L98 HydrophobicContact CZ3-CB 3.97Å
88	I	97.3	Very high	97.1	Very high	26 Å²	26	66 Å²	66	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-53.6	-46.7	172.8	-66.7	169.7	0	0	0	110.5	A12 L16 L84 R85 A86 T90 E91 E92	A12-I88 HydrophobicContact CB-CG1 3.73Å; L16-I88 HydrophobicContact CB-CD1 4.48Å; L16-I88 HydrophobicContact CD2-CD1 3.63Å; L84-I88 PolarHBondContact O-N 2.92Å; L84-I88 VanDerWaalsContact O-N 3.15Å; R85-I88 WeakPolarHBondContact O-CB 3.33Å; R85-I88 PolarHBondContact O-N 3.15Å; A86-I88 VanDerWaalsContact C-N 3.31Å; A86-I88 PolarHBondContact O-N 2.8Å; I88-T90 VanDerWaalsContact C-N 3.29Å; I88-T90 PolarHBondContact O-N 2.94Å; I88-E91 PolarHBondContact O-N 3.28Å; I88-E92 HydrophobicContact CG2-CG 4.37Å; I88-E92 WeakPolarHBondContact O-CG 3.44Å; I88-E92 PolarHBondContact O-N 2.91Å
89	H	96.2	Very high	97.1	Very high	32 Å²	32	67.4 Å²	67.4	15%	0.148	32%	0.321	C	S	.	.	H	α-helix	trans	-67.5	-29.1	176.4	-63.3	-55.1	0	0	0	113.6	A86 W87 E92 N93 D102 M105 A106	A86-H89 PolarHBondContact O-N 3.03Å; W87-H89 VanDerWaalsContact C-N 3.27Å; W87-H89 PolarHBondContact O-N 2.77Å; H89-E92 IonicContact CE1-OE2 3.38Å; H89-E92 IonicContact CG-OE2 3.09Å; H89-E92 IonicContact ND1-OE2 2.81Å; H89-E92 PolarHBondContact ND1-OE2 2.87Å; H89-N93 WeakPolarHBondContact O-CB 3.5Å; H89-N93 PolarHBondContact O-N 3.19Å; H89-N93 PolarHBondContact O-ND2 3.3Å; H89-D102 HydrophobicContact CB-CB 4.34Å; H89-M105 HydrophobicContact CB-CE 3.58Å; H89-M105 VanDerWaalsContact CD2-CB 3.48Å; H89-M105 WeakPolarHBondContact CD2-CB 3.4Å; H89-A106 PolarHBondContact NE2-N 3.41Å
90	T	97.1	Very high	97	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-45.1	172.8	-57.2	0	0	0	0	110.4	A86 W87 I88 N93 K94 R95 L98 D102	A86-T90 PolarHBondContact O-N 3.34Å; A86-T90 PolarHBondContact O-OG1 3.13Å; W87-T90 HydrophobicContact CE3-CG2 4.33Å; W87-T90 HydrophobicContact CH2-CG2 4.44Å; W87-T90 HydrophobicContact CZ3-CG2 4.29Å; W87-T90 WeakPolarHBondContact O-CA 3.42Å; W87-T90 VanDerWaalsContact O-CB 3.23Å; W87-T90 WeakPolarHBondContact O-CB 3.43Å; W87-T90 PolarHBondContact O-N 3.36Å; I88-T90 VanDerWaalsContact C-N 3.29Å; I88-T90 PolarHBondContact O-N 2.94Å; T90-N93 PolarHBondContact O-N 2.88Å; T90-K94 PolarHBondContact O-N 3.17Å; T90-R95 HydrophobicContact CG2-CB 3.9Å; T90-R95 PolarHBondContact O-N 3.27Å; T90-L98 WeakPolarHBondContact OG1-CD1 3.4Å; T90-D102 VanDerWaalsContact OG1-CG 3.25Å; T90-D102 PolarHBondContact OG1-OD2 3.31Å; T90-D102 VanDerWaalsContact OG1-OD2 3.06Å
91	E	95.7	Very high	96.9	Very high	65 Å²	65	70.9 Å²	70.9	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-68	-44.1	178.5	-68.8	-176.7	155.5	0	0	112.4	F10 A12 W87 I88 N93 K94	F10-E91 WeakPolarHBondContact CD1-OE1 3.44Å; A12-E91 PolarHBondContact N-OE2 3.47Å; W87-E91 VanDerWaalsContact CD1-CD 3.41Å; W87-E91 PolarHBondContact NE1-OE1 3.08Å; W87-E91 PolarHBondContact O-N 3.23Å; I88-E91 PolarHBondContact O-N 3.28Å; E91-N93 PolarHBondContact O-N 3.46Å; E91-K94 WeakPolarHBondContact O-CA 3.4Å; E91-K94 PolarHBondContact O-N 3.32Å
92	E	95.4	Very high	96.9	Very high	127 Å²	127	70.7 Å²	70.7	59%	0.593	33%	0.333	S	S	*	.	H	α-helix	trans	-56.5	-37.1	175.5	-74.2	174.1	161.2	0	0	111.9	I88 H89 K94	I88-E92 HydrophobicContact CG2-CG 4.37Å; I88-E92 WeakPolarHBondContact O-CG 3.44Å; I88-E92 PolarHBondContact O-N 2.91Å; H89-E92 IonicContact CE1-OE2 3.38Å; H89-E92 IonicContact CG-OE2 3.09Å; H89-E92 IonicContact ND1-OE2 2.81Å; H89-E92 PolarHBondContact ND1-OE2 2.87Å; E92-K94 VanDerWaalsContact C-N 3.25Å; E92-K94 PolarHBondContact O-N 2.76Å
93	N	96	Very high	96.8	Very high	85 Å²	85	72.3 Å²	72.3	46%	0.455	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	7.7	176.3	-73	-66	0	0	0	113.9	H89 T90 E91 R95	H89-N93 WeakPolarHBondContact O-CB 3.5Å; H89-N93 PolarHBondContact O-N 3.19Å; H89-N93 PolarHBondContact O-ND2 3.3Å; T90-N93 PolarHBondContact O-N 2.88Å; E91-N93 PolarHBondContact O-N 3.46Å; N93-R95 HydrophobicContact CB-CG 4.4Å; N93-R95 PolarHBondContact ND2-NH2 3.47Å; N93-R95 PolarHBondContact O-N 3.42Å
94	K	96	Very high	96.7	Very high	194 Å²	194	69.9 Å²	69.9	84%	0.843	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	30.2	-179.1	-53.3	179.7	-177.7	179.1	0	113.3	T90 E91 E92	T90-K94 PolarHBondContact O-N 3.17Å; E91-K94 WeakPolarHBondContact O-CA 3.4Å; E91-K94 PolarHBondContact O-N 3.32Å; E92-K94 VanDerWaalsContact C-N 3.25Å; E92-K94 PolarHBondContact O-N 2.76Å
95	R	96.7	Very high	96.6	Very high	58 Å²	58	71.7 Å²	71.7	22%	0.219	34%	0.336	C	S	.	.			trans	-98.2	160	178	-73	-176.4	-73.6	101.8	-1.9	110.4	T90 N93 T97 D102	T90-R95 HydrophobicContact CG2-CB 3.9Å; T90-R95 PolarHBondContact O-N 3.27Å; N93-R95 HydrophobicContact CB-CG 4.4Å; N93-R95 PolarHBondContact ND2-NH2 3.47Å; N93-R95 PolarHBondContact O-N 3.42Å; R95-T97 PolarHBondContact NH1-O 3.27Å; R95-D102 IonicContact CZ-OD1 3.56Å; R95-D102 IonicContact CZ-OD2 2.99Å; R95-D102 IonicContact NH1-OD1 3.41Å; R95-D102 IonicContact NH1-OD2 2.62Å; R95-D102 PolarHBondContact NH1-OD2 2.9Å; R95-D102 IonicContact NH2-OD1 3.88Å; R95-D102 PolarHBondContact NH2-OD1 3.46Å; R95-D102 IonicContact NH2-OD2 3.94Å; R95-D102 PolarHBondContact NH2-OD2 3.49Å
96	K	96.1	Very high	96.5	Very high	190 Å²	190	69.5 Å²	69.5	83%	0.826	33%	0.328	S	S	*	.	S	Bend	trans	-116.4	5	172.4	-64.5	-176.2	176.9	-177.1	0	112.6
97	T	97.9	Very high	96.5	Very high	96 Å²	96	69.5 Å²	69.5	59%	0.589	33%	0.328	S	S	*	.	S	Bend	trans	-122.1	117.5	-178.6	-54.2	0	0	0	0	107.7	R95	R95-T97 PolarHBondContact NH1-O 3.27Å
98	L	97.9	Very high	96.3	Very high	61 Å²	61	69 Å²	69	32%	0.319	33%	0.333	S	S	.	.			trans	-65.2	131.3	172	-176.2	66.9	0	0	0	109.6	T83 A86 W87 T90 D102	T83-L98 HydrophobicContact CG2-CD2 4.28Å; A86-L98 HydrophobicContact CB-CD1 3.74Å; W87-L98 HydrophobicContact CE3-CB 4.08Å; W87-L98 HydrophobicContact CE3-CD1 4.36Å; W87-L98 HydrophobicContact CZ3-CB 3.97Å; T90-L98 WeakPolarHBondContact OG1-CD1 3.4Å; L98-D102 HydrophobicContact CD1-CB 3.74Å
99	Q	97.3	Very high	96.1	Very high	94 Å²	94	71.5 Å²	71.5	44%	0.439	35%	0.353	S	S	.	.			trans	-119	161.3	-178.8	-62.7	-178.3	-10.1	0	0	111	N101 D102	Q99-N101 PolarHBondContact O-N 3.22Å; Q99-D102 WeakPolarHBondContact CA-OD2 3.26Å; Q99-D102 WeakPolarHBondContact CB-OD2 3.39Å; Q99-D102 PolarHBondContact N-OD2 2.83Å; Q99-D102 VanDerWaalsContact O-CB 3.31Å; Q99-D102 WeakPolarHBondContact O-CB 3.5Å; Q99-D102 PolarHBondContact O-N 3.37Å
100	K	96	Very high	95.9	Very high	187 Å²	187	72 Å²	72	81%	0.813	36%	0.357	S	S	*	.	H	α-helix	trans	-57.4	-34.7	175.1	-66.9	-175.3	178.1	-176.5	0	112.5	D102 I103 A104	K100-D102 VanDerWaalsContact C-N 3.28Å; K100-D102 PolarHBondContact O-N 2.88Å; K100-I103 PolarHBondContact O-N 3.26Å; K100-A104 PolarHBondContact O-N 3.48Å
101	N	95.1	Very high	95.8	Very high	62 Å²	62	79.9 Å²	79.9	33%	0.332	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-31.9	177.9	-168.3	36.6	0	0	0	112.5	Q99 I103 A104 M105	Q99-N101 PolarHBondContact O-N 3.22Å; N101-I103 VanDerWaalsContact C-N 3.31Å; N101-I103 PolarHBondContact O-N 2.91Å; N101-A104 PolarHBondContact O-N 3.35Å; N101-M105 WeakPolarHBondContact O-CG 3.29Å; N101-M105 PolarHBondContact O-N 3.41Å
102	D	96.7	Very high	95.8	Very high	0 Å²	0	82.2 Å²	82.2	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-63.9	-39.8	175.7	-62.7	-49.1	0	0	0	112	A86 H89 T90 R95 L98 Q99 K100 M105 A106	A86-D102 HydrophobicContact CB-CB 4.13Å; A86-D102 WeakPolarHBondContact O-CB 3.37Å; H89-D102 HydrophobicContact CB-CB 4.34Å; T90-D102 VanDerWaalsContact OG1-CG 3.25Å; T90-D102 PolarHBondContact OG1-OD2 3.31Å; T90-D102 VanDerWaalsContact OG1-OD2 3.06Å; R95-D102 IonicContact CZ-OD1 3.56Å; R95-D102 IonicContact CZ-OD2 2.99Å; R95-D102 IonicContact NH1-OD1 3.41Å; R95-D102 IonicContact NH1-OD2 2.62Å; R95-D102 PolarHBondContact NH1-OD2 2.9Å; R95-D102 IonicContact NH2-OD1 3.88Å; R95-D102 PolarHBondContact NH2-OD1 3.46Å; R95-D102 IonicContact NH2-OD2 3.94Å; R95-D102 PolarHBondContact NH2-OD2 3.49Å; L98-D102 HydrophobicContact CD1-CB 3.74Å; Q99-D102 WeakPolarHBondContact CA-OD2 3.26Å; Q99-D102 WeakPolarHBondContact CB-OD2 3.39Å; Q99-D102 PolarHBondContact N-OD2 2.83Å; Q99-D102 VanDerWaalsContact O-CB 3.31Å; Q99-D102 WeakPolarHBondContact O-CB 3.5Å; Q99-D102 PolarHBondContact O-N 3.37Å; K100-D102 VanDerWaalsContact C-N 3.28Å; K100-D102 PolarHBondContact O-N 2.88Å; D102-M105 WeakPolarHBondContact OD1-CE 3.39Å; D102-A106 WeakPolarHBondContact O-CB 3.38Å; D102-A106 PolarHBondContact O-N 3.31Å
103	I	96.7	Very high	95.8	Very high	56 Å²	56	76.2 Å²	76.2	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-66.5	-44.1	174.6	-57.4	172	0	0	0	109.7	L82 A86 K100 N101 M105 A106 V107	L82-I103 HydrophobicContact CD2-CG2 4.4Å; A86-I103 HydrophobicContact CB-CG1 3.98Å; K100-I103 PolarHBondContact O-N 3.26Å; N101-I103 VanDerWaalsContact C-N 3.31Å; N101-I103 PolarHBondContact O-N 2.91Å; I103-M105 VanDerWaalsContact C-N 3.33Å; I103-M105 PolarHBondContact O-N 3.01Å; I103-A106 PolarHBondContact O-N 3.25Å; I103-V107 HydrophobicContact CG2-CG2 4.22Å; I103-V107 WeakPolarHBondContact O-CB 3.34Å; I103-V107 VanDerWaalsContact O-CG2 3.3Å; I103-V107 WeakPolarHBondContact O-CG2 3.48Å; I103-V107 PolarHBondContact O-N 3.43Å
104	A	96.5	Very high	95.8	Very high	9 Å²	9	75.8 Å²	75.8	7%	0.074	38%	0.375	C	S	.	.	H	α-helix	trans	-60.7	-41.4	177.8	0	0	0	0	0	112.5	K100 N101 S108 V120	K100-A104 PolarHBondContact O-N 3.48Å; N101-A104 PolarHBondContact O-N 3.35Å; A104-S108 VanDerWaalsContact O-CB 3.29Å; A104-S108 WeakPolarHBondContact O-CB 3.31Å; A104-S108 PolarHBondContact O-N 3.23Å; A104-S108 PolarHBondContact O-OG 3Å; A104-V120 HydrophobicContact CB-CG1 3.85Å
105	M	95.4	Very high	95.8	Very high	55 Å²	55	72.9 Å²	72.9	27%	0.271	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-45.5	174.6	-70.8	-175.5	-68.6	0	0	111.5	H89 N101 D102 I103 V107 S108 S109	H89-M105 HydrophobicContact CB-CE 3.58Å; H89-M105 VanDerWaalsContact CD2-CB 3.48Å; H89-M105 WeakPolarHBondContact CD2-CB 3.4Å; N101-M105 WeakPolarHBondContact O-CG 3.29Å; N101-M105 PolarHBondContact O-N 3.41Å; D102-M105 WeakPolarHBondContact OD1-CE 3.39Å; I103-M105 VanDerWaalsContact C-N 3.33Å; I103-M105 PolarHBondContact O-N 3.01Å; M105-V107 PolarHBondContact O-N 3.49Å; M105-S108 PolarHBondContact O-N 2.99Å; M105-S108 VanDerWaalsContact O-N 3.11Å; M105-S109 PolarHBondContact O-N 3.03Å
106	A	96	Very high	95.8	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-47.5	177.8	0	0	0	0	0	112.1	L82 R85 A86 H89 D102 I103 S108 S109	L82-A106 HydrophobicContact CD1-CB 4.35Å; R85-A106 HydrophobicContact CB-CB 3.9Å; A86-A106 HydrophobicContact CB-CB 4.11Å; H89-A106 PolarHBondContact NE2-N 3.41Å; D102-A106 WeakPolarHBondContact O-CB 3.38Å; D102-A106 PolarHBondContact O-N 3.31Å; I103-A106 PolarHBondContact O-N 3.25Å; A106-S108 PolarHBondContact O-N 3.08Å; A106-S109 PolarHBondContact O-N 2.96Å; A106-S109 VanDerWaalsContact O-N 3.15Å; A106-S109 PolarHBondContact O-OG 3.04Å
107	V	96.2	Very high	95.6	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-28.6	176.2	167.5	0	0	0	0	112.2	L82 I103 M105 L116 V120 R122	L82-V107 HydrophobicContact CD1-CG2 3.92Å; I103-V107 HydrophobicContact CG2-CG2 4.22Å; I103-V107 WeakPolarHBondContact O-CB 3.34Å; I103-V107 VanDerWaalsContact O-CG2 3.3Å; I103-V107 WeakPolarHBondContact O-CG2 3.48Å; I103-V107 PolarHBondContact O-N 3.43Å; M105-V107 PolarHBondContact O-N 3.49Å; V107-L116 HydrophobicContact CG1-CB 3.91Å; V107-L116 HydrophobicContact CG1-CD1 4.26Å; V107-L116 HydrophobicContact CG2-CD1 3.71Å; V107-V120 HydrophobicContact CB-CG1 4.47Å; V107-V120 HydrophobicContact CG1-CB 4.37Å; V107-R122 VanDerWaalsContact O-CZ 3.24Å; V107-R122 PolarHBondContact O-NH2 2.56Å
108	S	94.4	Very high	95.3	Very high	51 Å²	51	68.5 Å²	68.5	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-82.6	-17.1	178	-58.2	0	0	0	0	113.6	A104 M105 A106 R122	A104-S108 VanDerWaalsContact O-CB 3.29Å; A104-S108 WeakPolarHBondContact O-CB 3.31Å; A104-S108 PolarHBondContact O-N 3.23Å; A104-S108 PolarHBondContact O-OG 3Å; M105-S108 PolarHBondContact O-N 2.99Å; M105-S108 VanDerWaalsContact O-N 3.11Å; A106-S108 PolarHBondContact O-N 3.08Å; S108-R122 WeakPolarHBondContact OG-CD 3.08Å; S108-R122 WeakPolarHBondContact OG-CG 3.43Å
109	S	92.7	Very high	95.2	Very high	79 Å²	79	71.6 Å²	71.6	55%	0.552	36%	0.363	S	S	*	.	H	α-helix	trans	-84.9	-14.2	-174.4	71.2	0	0	0	0	114.7	M105 A106	M105-S109 PolarHBondContact O-N 3.03Å; A106-S109 PolarHBondContact O-N 2.96Å; A106-S109 VanDerWaalsContact O-N 3.15Å; A106-S109 PolarHBondContact O-OG 3.04Å
110	D	92.9	Very high	95	Very high	42 Å²	42	68.4 Å²	68.4	23%	0.225	35%	0.35	C	S	.	.			trans	-142	127	-172.3	-168.3	-30.5	0	0	0	110.5	R85 Q112 Y113	R85-D110 IonicContact CZ-OD2 3.08Å; R85-D110 VanDerWaalsContact CZ-OD2 3.31Å; R85-D110 IonicContact NH1-OD2 3.3Å; R85-D110 PolarHBondContact NH1-OD2 3.08Å; R85-D110 IonicContact NH2-OD2 3.66Å; R85-D110 PolarHBondContact NH2-OD2 3.33Å; D110-Q112 PolarHBondContact O-N 3.22Å; D110-Q112 VanDerWaalsContact OD1-CB 3.29Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.23Å; D110-Q112 PolarHBondContact OD1-N 2.97Å; D110-Y113 HydrophobicContact CB-CD2 3.84Å; D110-Y113 HydrophobicContact CB-CE2 4.02Å; D110-Y113 PolarHBondContact O-N 3.02Å; D110-Y113 VanDerWaalsContact O-N 3.16Å
111	E	94.3	Very high	94.5	Very high	167 Å²	167	64.7 Å²	64.7	78%	0.78	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.2	-179.5	64.3	-179.9	-174.8	0	0	112.8	Y113 D114	E111-Y113 PolarHBondContact O-N 3.27Å; E111-Y113 VanDerWaalsContact O-N 3.08Å; E111-D114 WeakPolarHBondContact O-CB 3.49Å; E111-D114 PolarHBondContact O-N 2.96Å
112	Q	95.3	Very high	93.6	Very high	114 Å²	114	64 Å²	64	53%	0.533	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-58.6	-23.1	174.8	-170.4	-178.3	-33.5	0	0	112.3	D110 F115	D110-Q112 PolarHBondContact O-N 3.22Å; D110-Q112 VanDerWaalsContact OD1-CB 3.29Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.23Å; D110-Q112 PolarHBondContact OD1-N 2.97Å; Q112-F115 WeakPolarHBondContact O-CD1 3.39Å
113	Y	96.1	Very high	92.2	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-97	10.3	178.9	-57.4	-58.2	0	0	0	114.3	F78 L82 R85 D110 E111 F115 L116	F78-Y113 HydrophobicContact CD2-CE1 4.41Å; F78-Y113 HydrophobicContact CE2-CD1 4Å; F78-Y113 AromaticContact CE2-CE1 3.78Å; F78-Y113 HydrophobicContact CE2-CE1 3.78Å; L82-Y113 HydrophobicContact CD1-CE1 4.37Å; R85-Y113 WeakPolarHBondContact CD-OH 3.11Å; R85-Y113 PolarHBondContact NE-OH 3.29Å; R85-Y113 VanDerWaalsContact NE-OH 3.08Å; D110-Y113 HydrophobicContact CB-CD2 3.84Å; D110-Y113 HydrophobicContact CB-CE2 4.02Å; D110-Y113 PolarHBondContact O-N 3.02Å; D110-Y113 VanDerWaalsContact O-N 3.16Å; E111-Y113 PolarHBondContact O-N 3.27Å; E111-Y113 VanDerWaalsContact O-N 3.08Å; Y113-F115 HydrophobicContact CD1-CE1 4.23Å; Y113-F115 PolarHBondContact O-N 3.34Å; Y113-F115 VanDerWaalsContact O-N 3.14Å; Y113-L116 HydrophobicContact CD1-CD1 4.46Å; Y113-L116 WeakPolarHBondContact O-CB 3.44Å; Y113-L116 PolarHBondContact O-N 2.93Å
114	D	95.2	Very high	90.2	Very high	76 Å²	76	78.2 Å²	78.2	41%	0.406	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-64.2	-18.1	-179.4	-81.3	-3.3	0	0	0	114.2	E111 L116 I117 R122	E111-D114 WeakPolarHBondContact O-CB 3.49Å; E111-D114 PolarHBondContact O-N 2.96Å; D114-L116 PolarHBondContact O-N 3.12Å; D114-L116 VanDerWaalsContact O-N 3.08Å; D114-I117 WeakPolarHBondContact O-CG1 3.45Å; D114-I117 VanDerWaalsContact O-CG2 3.31Å; D114-I117 WeakPolarHBondContact O-CG2 3.48Å; D114-I117 PolarHBondContact O-N 3.13Å; D114-R122 IonicContact OD1-CZ 2.71Å; D114-R122 VanDerWaalsContact OD1-CZ 3.3Å; D114-R122 IonicContact OD1-NH1 2.64Å; D114-R122 PolarHBondContact OD1-NH1 3.11Å; D114-R122 VanDerWaalsContact OD1-NH1 3.08Å; D114-R122 IonicContact OD1-NH2 3.53Å; D114-R122 PolarHBondContact OD1-NH2 2.77Å
115	F	96.6	Very high	88.1	Confident	134 Å²	134	82.7 Å²	82.7	59%	0.588	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-64.8	-9.2	170.3	76.3	-85.3	0	0	0	113.8	F78 Q112 Y113	F78-F115 HydrophobicContact CE2-CE1 4.2Å; F78-F115 AromaticContact CE2-CZ 3.65Å; F78-F115 HydrophobicContact CE2-CZ 3.65Å; F78-F115 AromaticContact CZ-CZ 3.75Å; F78-F115 HydrophobicContact CZ-CZ 3.75Å; Q112-F115 WeakPolarHBondContact O-CD1 3.39Å; Y113-F115 HydrophobicContact CD1-CE1 4.23Å; Y113-F115 PolarHBondContact O-N 3.34Å; Y113-F115 VanDerWaalsContact O-N 3.14Å
116	L	96.4	Very high	85.4	Confident	21 Å²	21	89.8 Å²	89.8	11%	0.11	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-100.9	2.3	-179.3	-62.9	175.1	0	0	0	114.3	F78 V107 Y113 D114 D118 I119 V120	F78-L116 HydrophobicContact CZ-CD1 4.17Å; V107-L116 HydrophobicContact CG1-CB 3.91Å; V107-L116 HydrophobicContact CG1-CD1 4.26Å; V107-L116 HydrophobicContact CG2-CD1 3.71Å; Y113-L116 HydrophobicContact CD1-CD1 4.46Å; Y113-L116 WeakPolarHBondContact O-CB 3.44Å; Y113-L116 PolarHBondContact O-N 2.93Å; D114-L116 PolarHBondContact O-N 3.12Å; D114-L116 VanDerWaalsContact O-N 3.08Å; L116-D118 PolarHBondContact O-N 3.45Å; L116-D118 VanDerWaalsContact O-N 3.15Å; L116-I119 PolarHBondContact O-N 3.47Å; L116-V120 HydrophobicContact CB-CG2 4.29Å; L116-V120 PolarHBondContact O-N 3.36Å
117	I	91.2	Very high	82.9	Confident	79 Å²	79	96.1 Å²	96.1	41%	0.405	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.7	-175.1	55.8	177.4	0	0	0	113.6	D114 I119	D114-I117 WeakPolarHBondContact O-CG1 3.45Å; D114-I117 VanDerWaalsContact O-CG2 3.31Å; D114-I117 WeakPolarHBondContact O-CG2 3.48Å; D114-I117 PolarHBondContact O-N 3.13Å; I117-I119 VanDerWaalsContact C-N 3.32Å
118	D	92.9	Very high	80.2	Confident	151 Å²	151	106.2 Å²	106.2	81%	0.807	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-11.1	-178.4	-61.8	-40.4	0	0	0	112.8	L116	L116-D118 PolarHBondContact O-N 3.45Å; L116-D118 VanDerWaalsContact O-N 3.15Å
119	I	95.1	Very high	77.5	Confident	127 Å²	127	113.6 Å²	113.6	65%	0.651	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-37.7	-176.4	-54.4	-58.5	0	0	0	111.4	L116 I117 P121	L116-I119 PolarHBondContact O-N 3.47Å; I117-I119 VanDerWaalsContact C-N 3.32Å; I119-P121 WeakPolarHBondContact O-CD 3.35Å
120	V	93.7	Very high	75	Confident	26 Å²	26	114.9 Å²	114.9	16%	0.158	56%	0.563	C	S	.	*	S	Bend	trans	-117.2	96.5	-177.5	-175.3	0	0	0	0	108.2	A104 V107 L116 R122	A104-V120 HydrophobicContact CB-CG1 3.85Å; V107-V120 HydrophobicContact CB-CG1 4.47Å; V107-V120 HydrophobicContact CG1-CB 4.37Å; L116-V120 HydrophobicContact CB-CG2 4.29Å; L116-V120 PolarHBondContact O-N 3.36Å; V120-R122 PolarHBondContact O-N 3.3Å; V120-R122 VanDerWaalsContact O-N 3.14Å
121	P	84.6	Confident	72.5	Confident	109 Å²	109	117.3 Å²	117.3	71%	0.708	58%	0.583	S	S	*	*			trans	-56.8	121	-179.6	-24.5	33.5	0	0	0	110.7	I119	I119-P121 WeakPolarHBondContact O-CD 3.35Å
122	R	76.2	Confident	69.6	Low	49 Å²	49	118.1 Å²	118.1	19%	0.185	59%	0.587	C	S	.	*			trans	-82.8	132.9	176.5	-58	-171.4	176.7	-159.5	2.1	109.2	V107 S108 D114 V120 Y124	V107-R122 VanDerWaalsContact O-CZ 3.24Å; V107-R122 PolarHBondContact O-NH2 2.56Å; S108-R122 WeakPolarHBondContact OG-CD 3.08Å; S108-R122 WeakPolarHBondContact OG-CG 3.43Å; D114-R122 IonicContact OD1-CZ 2.71Å; D114-R122 VanDerWaalsContact OD1-CZ 3.3Å; D114-R122 IonicContact OD1-NH1 2.64Å; D114-R122 PolarHBondContact OD1-NH1 3.11Å; D114-R122 VanDerWaalsContact OD1-NH1 3.08Å; D114-R122 IonicContact OD1-NH2 3.53Å; D114-R122 PolarHBondContact OD1-NH2 2.77Å; V120-R122 PolarHBondContact O-N 3.3Å; V120-R122 VanDerWaalsContact O-N 3.14Å; R122-Y124 VanDerWaalsContact C-N 3.32Å; R122-Y124 PolarHBondContact O-N 3.42Å
123	E	67	Low	66.9	Low	159 Å²	159	123.7 Å²	123.7	74%	0.743	61%	0.605	S	S	*	*			trans	-71.6	95.8	162.2	-68.4	-166.1	-179.7	0	0	107.3	S125	E123-S125 VanDerWaalsContact C-N 3.28Å; E123-S125 PolarHBondContact O-N 3.05Å
124	Y	56.3	Low	64.2	Low	194 Å²	194	128.6 Å²	128.6	76%	0.761	64%	0.639	S	S	*	*			trans	-62.7	96.5	167.2	-69.4	-82.1	0	0	0	107.7	R122 K126	R122-Y124 VanDerWaalsContact C-N 3.32Å; R122-Y124 PolarHBondContact O-N 3.42Å; Y124-K126 PolarHBondContact O-N 2.71Å
125	S	51	Low	61.2	Low	104 Å²	104	130.5 Å²	130.5	73%	0.727	66%	0.658	S	S	*	*			trans	-56.3	106.7	162	52.4	0	0	0	0	106.1	E123 T127	E123-S125 VanDerWaalsContact C-N 3.28Å; E123-S125 PolarHBondContact O-N 3.05Å; S125-T127 VanDerWaalsContact C-N 3.35Å; S125-T127 PolarHBondContact O-N 3.15Å
126	K	38.9	Very low	58.6	Low	204 Å²	204	133.3 Å²	133.3	89%	0.887	67%	0.67	S	S	*	*			trans	-50	101	176.5	-69.9	177.5	-178.9	175.1	0	107.9	Y124 R128	Y124-K126 PolarHBondContact O-N 2.71Å; K126-R128 PolarHBondContact O-N 2.86Å; K126-R128 VanDerWaalsContact O-N 3.08Å
127	T	44.2	Very low	56	Low	132 Å²	132	141.1 Å²	141.1	81%	0.81	71%	0.706	S	S	*	*			trans	-53.9	121.8	171.4	-46	0	0	0	0	106.7	S125 K129	S125-T127 VanDerWaalsContact C-N 3.35Å; S125-T127 PolarHBondContact O-N 3.15Å; T127-K129 PolarHBondContact O-N 3.46Å
128	R	38.8	Very low	53.6	Low	213 Å²	213	142 Å²	142	80%	0.804	72%	0.719	S	S	*	*			trans	-40.5	111.7	177	-80.9	163.1	66.6	173.3	0.6	109.4	K126 V130	K126-R128 PolarHBondContact O-N 2.86Å; K126-R128 VanDerWaalsContact O-N 3.08Å; R128-V130 HydrophobicContact CB-CG2 4.14Å; R128-V130 PolarHBondContact O-N 3.16Å
129	K	37.6	Very low	51	Low	206 Å²	206	143.6 Å²	143.6	90%	0.896	72%	0.719	S	S	*	*			trans	-65.5	94.2	154.3	-79	-169.2	176.6	-177.3	0	107	T127 S131	T127-K129 PolarHBondContact O-N 3.46Å; K129-S131 PolarHBondContact O-N 3.5Å
130	V	41	Very low	48.5	Very low	106 Å²	106	147.4 Å²	147.4	64%	0.642	73%	0.732	S	S	*	*			trans	-77.5	100.2	161.9	176.8	0	0	0	0	106.8	R128	R128-V130 HydrophobicContact CB-CG2 4.14Å; R128-V130 PolarHBondContact O-N 3.16Å
131	S	40.2	Very low	46.5	Very low	92 Å²	92	153.1 Å²	153.1	64%	0.643	76%	0.757	S	S	*	*			trans	-161	87.1	150	62.4	0	0	0	0	107	K129 Y133	K129-S131 PolarHBondContact O-N 3.5Å; S131-Y133 PolarHBondContact O-N 3.35Å
132	Q	33.7	Very low	44.5	Very low	184 Å²	184	154 Å²	154	86%	0.86	76%	0.762	S	S	*	*				35.4	83.3	101	-90.4	-179.5	-50.4	0	0	112.2
133	Y	38.7	Very low	43.4	Very low	231 Å²	231	159 Å²	159	91%	0.906	79%	0.792	S	S	*	*			trans	-127.2	120.6	143	-114.3	-91.3	0	0	0	107.8	S131	S131-Y133 PolarHBondContact O-N 3.35Å
134	S	37.8	Very low	42.4	Very low	103 Å²	103	159.7 Å²	159.7	72%	0.72	80%	0.795	S	S	*	*			trans	-66.4	122.6	-162.7	178.1	0	0	0	0	112.6	K136	S134-K136 PolarHBondContact O-N 2.93Å
135	S	34	Very low	41.9	Very low	116 Å²	116	154.4 Å²	154.4	81%	0.811	79%	0.792	S	S	*	*			trans	-65	111.2	155.8	-49.9	0	0	0	0	108.2
136	K	41.2	Very low	41.7	Very low	193 Å²	193	161.5 Å²	161.5	84%	0.839	80%	0.803	S	S	*	*			trans	177.7	95.3	156.1	-99.2	163.7	-167.8	-167.6	0	109.4	S134	S134-K136 PolarHBondContact O-N 2.93Å
137	E	41.7	Very low	42.4	Very low	185 Å²	185	156.8 Å²	156.8	86%	0.864	79%	0.793	S	S	*	*			trans	-172.8	83.4	147.8	-104.9	173.3	-164.2	0	0	105.5
138	S	40.6	Very low	42.7	Very low	98 Å²	98	155.9 Å²	155.9	69%	0.685	79%	0.792	S	S	*	*				62.3	103.9	92.1	67.7	0	0	0	0	113.7
139	F	37.8	Very low	43.8	Very low	184 Å²	184	154.5 Å²	154.5	81%	0.807	79%	0.794	S	S	*	*			trans	56.6	82.1	135.5	-113.3	-95.4	0	0	0	116.6
140	F	43.6	Very low	45.1	Very low	207 Å²	207	149.6 Å²	149.6	91%	0.908	79%	0.785	S	S	*	*			trans	-133.7	97.5	151.8	-104.5	-89.3	0	0	0	109.8
141	H	52.7	Low	45.8	Very low	147 Å²	147	157.3 Å²	157.3	68%	0.681	81%	0.814	S	S	*	*			trans	-75.4	138.9	163.9	-94.7	-90.2	0	0	0	109.1	L143	H141-L143 PolarHBondContact O-N 3.35Å
142	P	42.4	Very low	46.1	Very low	126 Å²	126	160.6 Å²	160.6	82%	0.818	82%	0.823	S	S	*	*			trans	-68.9	112.5	172.5	-16	30.2	0	0	0	110.4
143	L	51.5	Low	46.7	Very low	155 Å²	155	159.3 Å²	159.3	81%	0.812	82%	0.821	S	S	*	*			trans	-102.3	107.9	169.4	-81.4	164	0	0	0	109	H141	H141-L143 PolarHBondContact O-N 3.35Å
144	E	46.4	Very low	47.2	Very low	173 Å²	173	155.3 Å²	155.3	81%	0.808	82%	0.816	S	S	*	*			trans	18.6	128.3	142.8	-68.9	177.2	145.7	0	0	119.7
145	A	46.8	Very low	47.7	Very low	84 Å²	84	158.4 Å²	158.4	69%	0.694	82%	0.821	S	S	*	*			trans	71.7	103.8	130.1	0	0	0	0	0	119.1
146	W	47.3	Very low	48.6	Very low	253 Å²	253	161.1 Å²	161.1	96%	0.958	82%	0.822	S	S	*	*			trans	-142.7	140.3	133.8	-75.8	83.2	0	0	0	110.2
147	P	53.5	Low	49.1	Very low	105 Å²	105	158.9 Å²	158.9	68%	0.682	82%	0.821	S	S	*	*			trans	-94.7	161.5	-161.2	20.9	-3.7	0	0	0	114.2
148	S	50.5	Low	49.6	Very low	113 Å²	113	157.1 Å²	157.1	79%	0.79	82%	0.818	S	S	*	*			trans	-56.9	130.8	173.4	51.3	0	0	0	0	113.7
149	H	61.4	Low	50.3	Low	184 Å²	184	161.6 Å²	161.6	85%	0.852	83%	0.828	S	S	*	*			trans	-118.6	116.6	154.2	-86.7	-73.4	0	0	0	110
150	S	63.5	Low	51.4	Low	102 Å²	102	159.8 Å²	159.8	71%	0.713	83%	0.83	S	S	*	*			trans	-71.5	133.3	160.9	49.2	0	0	0	0	110.8
151	H	56.8	Low	52.1	Low	268 Å²	268	155.5 Å²	155.5	100%	1.241	82%	0.823	S	S	*	*			trans	-147.7	0	139.6	-101.5	-68	0	0	0	108.4

Retrieved 151 of 151 residues in 329 ms (Link to these results)

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