A0A3Q0KJM6_SCHMA Loading...

Ubiquitin thioesterase

AlphaFold DB , UniProt , Accession A0A3Q0KJM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 301 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	46.3	Very low	47.3	Very low	256 Å²	256	108.9 Å²	108.9	100%	1.261	64%	0.639	S	S	*	*				0	56.3	0	-70.7	176.1	174.2	0	0	110.6
2	G	47	Very low	47.9	Very low	50 Å²	50	110.7 Å²	110.7	52%	0.515	64%	0.637	S	S	.	*			trans	-144.4	9.6	-170.5	0	0	0	0	0	116.5
3	I	46.6	Very low	48.9	Very low	141 Å²	141	110.8 Å²	110.8	72%	0.723	63%	0.634	S	S	*	*	S	Bend	trans	-109.1	-29.6	-176.8	-58.2	179.9	0	0	0	111.3	A5	I3-A5 PolarHBondContact O-N 3.39Å
4	E	45.6	Very low	50.2	Low	177 Å²	177	108.6 Å²	108.6	83%	0.827	62%	0.624	S	S	*	*	H	α-helix	trans	-70	-29.5	179.6	-72.7	171.1	161.1	0	0	113.8	L6	E4-L6 PolarHBondContact O-N 3.3Å
5	A	45.4	Very low	51.7	Low	77 Å²	77	108.9 Å²	108.9	64%	0.636	62%	0.623	S	S	*	*	H	α-helix	trans	-74.7	-22	-179.4	0	0	0	0	0	114	I3 S9	I3-A5 PolarHBondContact O-N 3.39Å; A5-S9 PolarHBondContact O-OG 3.46Å
6	L	41.9	Very low	52.9	Low	125 Å²	125	110.8 Å²	110.8	65%	0.654	62%	0.624	S	S	*	*	H	α-helix	trans	-85.2	-25.9	-178	-91.9	147.2	0	0	0	113.1	E4 S9	E4-L6 PolarHBondContact O-N 3.3Å; L6-S9 PolarHBondContact O-OG 3.26Å
7	V	44.9	Very low	54	Low	88 Å²	88	107.6 Å²	107.6	53%	0.533	62%	0.615	S	S	.	*	H	α-helix	trans	-78.9	-42.2	178.2	-178.4	0	0	0	0	110.3	S9 A10 D11	V7-S9 VanDerWaalsContact C-N 3.35Å; V7-S9 PolarHBondContact O-N 3.49Å; V7-A10 PolarHBondContact O-N 2.9Å; V7-D11 PolarHBondContact O-N 3.06Å
8	S	47.8	Very low	55	Low	66 Å²	66	105.5 Å²	105.5	46%	0.462	61%	0.605	S	S	.	*	H	α-helix	trans	-60.6	-39.4	176.8	174.6	0	0	0	0	113.2	A10 E12	S8-A10 VanDerWaalsContact C-N 3.3Å; S8-A10 PolarHBondContact O-N 3.21Å; S8-E12 PolarHBondContact O-N 3.44Å
9	S	50.3	Low	56.1	Low	60 Å²	60	106.1 Å²	106.1	42%	0.42	60%	0.601	S	S	.	*	H	α-helix	trans	-74.1	-19.9	179.8	61	0	0	0	0	114	A5 L6 V7 N13	A5-S9 PolarHBondContact O-OG 3.46Å; L6-S9 PolarHBondContact O-OG 3.26Å; V7-S9 VanDerWaalsContact C-N 3.35Å; V7-S9 PolarHBondContact O-N 3.49Å; S9-N13 WeakPolarHBondContact O-CB 3.47Å
10	A	49.8	Very low	56.9	Low	53 Å²	53	103.5 Å²	103.5	44%	0.438	59%	0.594	S	S	.	*	H	α-helix	trans	-80.6	-43.2	-180	0	0	0	0	0	110.9	V7 S8 T14	V7-A10 PolarHBondContact O-N 2.9Å; S8-A10 VanDerWaalsContact C-N 3.3Å; S8-A10 PolarHBondContact O-N 3.21Å; A10-T14 PolarHBondContact O-N 3.32Å; A10-T14 PolarHBondContact O-OG1 3.14Å
11	D	54.5	Low	57.7	Low	105 Å²	105	104.8 Å²	104.8	56%	0.561	60%	0.595	S	S	*	*	H	α-helix	trans	-67	-45	177.7	-77.5	-22.3	0	0	0	111.8	V7 N13 T14 D15	V7-D11 PolarHBondContact O-N 3.06Å; D11-N13 VanDerWaalsContact C-N 3.28Å; D11-N13 PolarHBondContact O-N 2.96Å; D11-T14 WeakPolarHBondContact O-CB 3.31Å; D11-T14 PolarHBondContact O-N 3.48Å; D11-D15 PolarHBondContact O-N 2.88Å
12	E	54.4	Low	58.9	Low	130 Å²	130	98 Å²	98	61%	0.607	56%	0.56	S	S	*	*	H	α-helix	trans	-57.5	-40.2	177.6	-77.4	179.8	165.1	0	0	112.6	S8 T14 D15 E16	S8-E12 PolarHBondContact O-N 3.44Å; E12-T14 VanDerWaalsContact C-N 3.25Å; E12-T14 PolarHBondContact O-N 3.03Å; E12-D15 PolarHBondContact O-N 3.3Å; E12-E16 PolarHBondContact O-N 3.48Å; E12-E16 VanDerWaalsContact O-N 3.08Å
13	N	60.9	Low	60.1	Low	112 Å²	112	100.8 Å²	100.8	60%	0.599	56%	0.559	S	S	*	*	H	α-helix	trans	-72.7	-21.1	-179.4	-151.7	4.7	0	0	0	112.3	S9 D11 A17	S9-N13 WeakPolarHBondContact O-CB 3.47Å; D11-N13 VanDerWaalsContact C-N 3.28Å; D11-N13 PolarHBondContact O-N 2.96Å; N13-A17 WeakPolarHBondContact O-CB 3.44Å; N13-A17 PolarHBondContact O-N 3.14Å
14	T	67.4	Low	61.3	Low	81 Å²	81	96.6 Å²	96.6	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-84.3	-37.6	177.5	-39.6	0	0	0	0	110.9	A10 D11 E12 T18	A10-T14 PolarHBondContact O-N 3.32Å; A10-T14 PolarHBondContact O-OG1 3.14Å; D11-T14 WeakPolarHBondContact O-CB 3.31Å; D11-T14 PolarHBondContact O-N 3.48Å; E12-T14 VanDerWaalsContact C-N 3.25Å; E12-T14 PolarHBondContact O-N 3.03Å; T14-T18 WeakPolarHBondContact O-CB 3.33Å; T14-T18 PolarHBondContact O-N 3.21Å; T14-T18 PolarHBondContact O-OG1 3.24Å
15	D	72.2	Confident	62.5	Low	113 Å²	113	92.5 Å²	92.5	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-66.9	-44.8	174.5	-74	-15.7	0	0	0	111.5	D11 E12 A17 T18 Q19	D11-D15 PolarHBondContact O-N 2.88Å; E12-D15 PolarHBondContact O-N 3.3Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.35Å; D15-T18 PolarHBondContact O-N 2.97Å; D15-Q19 WeakPolarHBondContact O-CB 3.38Å; D15-Q19 PolarHBondContact O-N 3.07Å
16	E	72.2	Confident	63.6	Low	138 Å²	138	92.4 Å²	92.4	65%	0.645	52%	0.516	S	S	*	.	H	α-helix	trans	-61	-41.8	176.8	-122.7	-178.7	179.5	0	0	111.7	E12 Q19 A20	E12-E16 PolarHBondContact O-N 3.48Å; E12-E16 VanDerWaalsContact O-N 3.08Å; E16-Q19 PolarHBondContact O-N 3.39Å; E16-A20 VanDerWaalsContact O-CB 3.29Å; E16-A20 WeakPolarHBondContact O-CB 3.4Å; E16-A20 PolarHBondContact O-N 2.87Å
17	A	70.5	Confident	64.9	Low	57 Å²	57	94.1 Å²	94.1	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-66.5	-39.7	177.1	0	0	0	0	0	112.2	N13 D15 Q21	N13-A17 WeakPolarHBondContact O-CB 3.44Å; N13-A17 PolarHBondContact O-N 3.14Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.35Å; A17-Q21 WeakPolarHBondContact O-CB 3.4Å; A17-Q21 PolarHBondContact O-N 3.26Å
18	T	72.9	Confident	65.7	Low	70 Å²	70	96 Å²	96	43%	0.429	53%	0.525	S	S	.	.	H	α-helix	trans	-65.7	-45.9	176.7	-57.1	0	0	0	0	110.6	T14 D15 Q21 Q22	T14-T18 WeakPolarHBondContact O-CB 3.33Å; T14-T18 PolarHBondContact O-N 3.21Å; T14-T18 PolarHBondContact O-OG1 3.24Å; D15-T18 PolarHBondContact O-N 2.97Å; T18-Q21 PolarHBondContact O-N 3.25Å; T18-Q22 WeakPolarHBondContact O-CB 3.43Å; T18-Q22 PolarHBondContact O-N 3.47Å
19	Q	74.5	Confident	66.5	Low	116 Å²	116	95.6 Å²	95.6	54%	0.542	52%	0.516	S	S	.	.	H	α-helix	trans	-62.2	-45.9	176.9	-176.9	169.3	-5.2	0	0	111.5	D15 E16 Q21 Q22 E23	D15-Q19 WeakPolarHBondContact O-CB 3.38Å; D15-Q19 PolarHBondContact O-N 3.07Å; E16-Q19 PolarHBondContact O-N 3.39Å; Q19-Q21 VanDerWaalsContact C-N 3.32Å; Q19-Q21 PolarHBondContact O-N 3.04Å; Q19-Q22 PolarHBondContact O-N 2.82Å; Q19-Q22 VanDerWaalsContact O-N 3.17Å; Q19-E23 HydrophobicContact CG-CG 4.43Å; Q19-E23 PolarHBondContact NE2-OE1 3.14Å; Q19-E23 VanDerWaalsContact NE2-OE1 3.16Å; Q19-E23 WeakPolarHBondContact O-CB 3.48Å; Q19-E23 WeakPolarHBondContact O-CG 3.48Å; Q19-E23 PolarHBondContact O-N 3.17Å
20	A	73.8	Confident	67.3	Low	55 Å²	55	97.9 Å²	97.9	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-38.5	177.5	0	0	0	0	0	112.5	E16 A24	E16-A20 VanDerWaalsContact O-CB 3.29Å; E16-A20 WeakPolarHBondContact O-CB 3.4Å; E16-A20 PolarHBondContact O-N 2.87Å; A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 2.98Å
21	Q	72.9	Confident	68.1	Low	130 Å²	130	100.2 Å²	100.2	61%	0.607	53%	0.531	S	S	*	.	H	α-helix	trans	-65.8	-41.9	174.7	-175	173.5	4.4	0	0	111.4	A17 T18 Q19 A24 I25	A17-Q21 WeakPolarHBondContact O-CB 3.4Å; A17-Q21 PolarHBondContact O-N 3.26Å; T18-Q21 PolarHBondContact O-N 3.25Å; Q19-Q21 VanDerWaalsContact C-N 3.32Å; Q19-Q21 PolarHBondContact O-N 3.04Å; Q21-A24 PolarHBondContact O-N 3.23Å; Q21-I25 HydrophobicContact CG-CD1 4.09Å; Q21-I25 VanDerWaalsContact O-CG1 3.29Å; Q21-I25 WeakPolarHBondContact O-CG1 3.41Å; Q21-I25 PolarHBondContact O-N 3.15Å
22	Q	70.6	Confident	69.3	Low	115 Å²	115	98.7 Å²	98.7	54%	0.537	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-41.4	178.9	-156.8	153.7	-4.8	0	0	111.3	T18 Q19 A24 I25 E26	T18-Q22 WeakPolarHBondContact O-CB 3.43Å; T18-Q22 PolarHBondContact O-N 3.47Å; Q19-Q22 PolarHBondContact O-N 2.82Å; Q19-Q22 VanDerWaalsContact O-N 3.17Å; Q22-A24 PolarHBondContact O-N 3.45Å; Q22-I25 PolarHBondContact O-N 3.15Å; Q22-E26 WeakPolarHBondContact O-CB 3.43Å; Q22-E26 WeakPolarHBondContact O-CG 3.44Å; Q22-E26 PolarHBondContact O-N 3.27Å
23	E	74.1	Confident	71.1	Confident	107 Å²	107	95.7 Å²	95.7	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-62.8	-39.7	172.3	-73.9	177.6	-170.3	0	0	112.5	Q19 E26 K27	Q19-E23 HydrophobicContact CG-CG 4.43Å; Q19-E23 PolarHBondContact NE2-OE1 3.14Å; Q19-E23 VanDerWaalsContact NE2-OE1 3.16Å; Q19-E23 WeakPolarHBondContact O-CB 3.48Å; Q19-E23 WeakPolarHBondContact O-CG 3.48Å; Q19-E23 PolarHBondContact O-N 3.17Å; E23-E26 PolarHBondContact O-N 3.44Å; E23-K27 VanDerWaalsContact O-CB 3.32Å; E23-K27 WeakPolarHBondContact O-CB 3.49Å; E23-K27 PolarHBondContact O-N 3.31Å
24	A	71.5	Confident	72.8	Confident	54 Å²	54	90.3 Å²	90.3	45%	0.446	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-44.2	176.7	0	0	0	0	0	111.8	A20 Q21 Q22 K27 D28	A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 2.98Å; Q21-A24 PolarHBondContact O-N 3.23Å; Q22-A24 PolarHBondContact O-N 3.45Å; A24-K27 PolarHBondContact O-N 2.89Å; A24-D28 PolarHBondContact O-N 3.4Å; A24-D28 VanDerWaalsContact O-N 3.14Å
25	I	69.8	Low	74.2	Confident	90 Å²	90	86.6 Å²	86.6	46%	0.462	47%	0.467	S	S	.	.	H	α-helix	trans	-60.8	-48.9	174.1	-68.4	164.9	0	0	0	109.9	Q21 Q22 K27 D28 M29	Q21-I25 HydrophobicContact CG-CD1 4.09Å; Q21-I25 VanDerWaalsContact O-CG1 3.29Å; Q21-I25 WeakPolarHBondContact O-CG1 3.41Å; Q21-I25 PolarHBondContact O-N 3.15Å; Q22-I25 PolarHBondContact O-N 3.15Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.05Å; I25-D28 PolarHBondContact O-N 3.36Å; I25-M29 HydrophobicContact CG2-CG 4.48Å; I25-M29 HydrophobicContact CG2-SD 3.55Å; I25-M29 VanDerWaalsContact CG2-SD 3.55Å; I25-M29 WeakPolarHBondContact O-CG 3Å; I25-M29 PolarHBondContact O-N 3.46Å
26	E	68.6	Low	75.4	Confident	76 Å²	76	81.9 Å²	81.9	36%	0.355	44%	0.443	S	S	.	.	H	α-helix	trans	-58.1	-39.3	176.8	-81.9	-171.3	-165.8	0	0	112.5	Q22 E23 M29 K30	Q22-E26 WeakPolarHBondContact O-CB 3.43Å; Q22-E26 WeakPolarHBondContact O-CG 3.44Å; Q22-E26 PolarHBondContact O-N 3.27Å; E23-E26 PolarHBondContact O-N 3.44Å; E26-M29 PolarHBondContact O-N 3.22Å; E26-K30 VanDerWaalsContact O-CB 3.31Å; E26-K30 WeakPolarHBondContact O-CB 3.31Å; E26-K30 WeakPolarHBondContact O-CG 3.44Å; E26-K30 PolarHBondContact O-N 2.88Å; E26-K30 IonicContact OE2-NZ 2.67Å; E26-K30 PolarHBondContact OE2-NZ 3.45Å
27	K	68.9	Low	76.5	Confident	160 Å²	160	78 Å²	78	70%	0.696	44%	0.435	S	S	*	.	H	α-helix	trans	-65.7	-44.4	-179.3	-173.8	178.9	179.5	-179.9	0	112	E23 A24 I25 M29 K30 S31	E23-K27 VanDerWaalsContact O-CB 3.32Å; E23-K27 WeakPolarHBondContact O-CB 3.49Å; E23-K27 PolarHBondContact O-N 3.31Å; A24-K27 PolarHBondContact O-N 2.89Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.05Å; K27-M29 VanDerWaalsContact C-N 3.26Å; K27-M29 PolarHBondContact O-N 3.37Å; K27-K30 PolarHBondContact O-N 3.19Å; K27-S31 PolarHBondContact O-N 2.93Å
28	D	62.6	Low	77.7	Confident	128 Å²	128	79 Å²	79	68%	0.684	43%	0.432	S	S	*	.	H	α-helix	trans	-63.1	-37	175.5	-83.8	0.3	0	0	0	110.9	A24 I25 S31	A24-D28 PolarHBondContact O-N 3.4Å; A24-D28 VanDerWaalsContact O-N 3.14Å; I25-D28 PolarHBondContact O-N 3.36Å; D28-S31 WeakPolarHBondContact O-CB 3.27Å; D28-S31 PolarHBondContact O-N 2.92Å; D28-S31 PolarHBondContact O-OG 3.46Å
29	M	64.2	Low	78.8	Confident	58 Å²	58	78.3 Å²	78.3	29%	0.286	43%	0.425	S	S	.	.	H	α-helix	trans	-73.3	-34.9	177.9	-64.1	174	75.6	0	0	113	I25 E26 K27 S31 T32 R72 R73	I25-M29 HydrophobicContact CG2-CG 4.48Å; I25-M29 HydrophobicContact CG2-SD 3.55Å; I25-M29 VanDerWaalsContact CG2-SD 3.55Å; I25-M29 WeakPolarHBondContact O-CG 3Å; I25-M29 PolarHBondContact O-N 3.46Å; E26-M29 PolarHBondContact O-N 3.22Å; K27-M29 VanDerWaalsContact C-N 3.26Å; K27-M29 PolarHBondContact O-N 3.37Å; M29-S31 PolarHBondContact O-N 2.94Å; M29-T32 PolarHBondContact O-N 3.24Å; M29-T32 VanDerWaalsContact O-N 3.15Å; M29-T32 PolarHBondContact O-OG1 3.31Å; M29-R72 PolarHBondContact O-NE 3.19Å; M29-R73 HydrophobicContact CE-CB 3.18Å; M29-R73 WeakPolarHBondContact CE-O 3.34Å
30	K	66.4	Low	79.8	Confident	108 Å²	108	76.1 Å²	76.1	47%	0.47	42%	0.421	S	S	.	.	H	α-helix	trans	-62.7	-17	174.7	-78.9	165.7	-171.2	165.3	0	112.8	E26 K27 T32 R72	E26-K30 VanDerWaalsContact O-CB 3.31Å; E26-K30 WeakPolarHBondContact O-CB 3.31Å; E26-K30 WeakPolarHBondContact O-CG 3.44Å; E26-K30 PolarHBondContact O-N 2.88Å; E26-K30 IonicContact OE2-NZ 2.67Å; E26-K30 PolarHBondContact OE2-NZ 3.45Å; K27-K30 PolarHBondContact O-N 3.19Å; K30-T32 PolarHBondContact O-N 3.46Å; K30-R72 PolarHBondContact O-NH2 2.8Å
31	S	67.2	Low	80.8	Confident	101 Å²	101	73.9 Å²	73.9	71%	0.706	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-20	174	75.2	0	0	0	0	113.7	K27 D28 M29	K27-S31 PolarHBondContact O-N 2.93Å; D28-S31 WeakPolarHBondContact O-CB 3.27Å; D28-S31 PolarHBondContact O-N 2.92Å; D28-S31 PolarHBondContact O-OG 3.46Å; M29-S31 PolarHBondContact O-N 2.94Å
32	T	79.5	Confident	81.6	Confident	73 Å²	73	70.5 Å²	70.5	45%	0.448	39%	0.392	S	S	.	.	S	Bend	trans	-92.8	147.9	177.6	63.2	0	0	0	0	111	M29 K30 R72	M29-T32 PolarHBondContact O-N 3.24Å; M29-T32 VanDerWaalsContact O-N 3.15Å; M29-T32 PolarHBondContact O-OG1 3.31Å; K30-T32 PolarHBondContact O-N 3.46Å; T32-R72 PolarHBondContact O-NE 3.49Å; T32-R72 PolarHBondContact O-NH2 2.9Å
33	C	92.8	Very high	82.6	Confident	67 Å²	67	66.8 Å²	66.8	45%	0.453	38%	0.377	S	S	.	.			trans	-56.8	154.5	172.9	58.1	0	0	0	0	111.8	S36 N152	C33-S36 VanDerWaalsContact SG-CA 3.57Å; C33-N152 WeakPolarHBondContact CB-OD1 3.22Å
34	L	96.9	Very high	83.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-68	-41.1	178.4	-74.5	172.5	0	0	0	111.3	L71 R72 F151 N152 Q154	L34-L71 WeakPolarHBondContact O-CA 3.37Å; L34-R72 HydrophobicContact CD2-CB 4.3Å; L34-R72 PolarHBondContact O-N 3.49Å; L34-F151 WeakPolarHBondContact CB-O 3.43Å; L34-F151 WeakPolarHBondContact CD1-O 3.42Å; L34-N152 PolarHBondContact N-OD1 2.92Å; L34-Q154 HydrophobicContact CD1-CB 4.46Å
35	I	96.9	Very high	84.2	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.6	172.7	64.2	170.3	0	0	0	109.4	R69 L71 R80 F84 F151 N152	I35-R69 VanDerWaalsContact CG1-NH1 3.27Å; I35-L71 HydrophobicContact CG2-CD1 4.24Å; I35-L71 HydrophobicContact CG2-CG 4.14Å; I35-R80 HydrophobicContact CG2-CG 4.21Å; I35-F84 HydrophobicContact CD1-CB 4.44Å; I35-F84 HydrophobicContact CD1-CD1 4.37Å; I35-F84 HydrophobicContact CD1-CD2 3.12Å; I35-F84 HydrophobicContact CD1-CE1 4.49Å; I35-F84 HydrophobicContact CD1-CE2 3.25Å; I35-F84 HydrophobicContact CD1-CG 3.72Å; I35-F84 HydrophobicContact CD1-CZ 3.97Å; I35-F151 HydrophobicContact CD1-CB 3.39Å; I35-F151 HydrophobicContact CD1-CG 4.26Å; I35-F151 HydrophobicContact CG1-CB 4.11Å; I35-N152 VanDerWaalsContact CG1-ND2 3.29Å; I35-N152 WeakPolarHBondContact CG1-ND2 3.35Å; I35-N152 PolarHBondContact N-OD1 2.85Å; I35-N152 VanDerWaalsContact N-OD1 3.11Å; I35-N152 PolarHBondContact O-ND2 2.84Å; I35-N152 PolarHBondContact O-OD1 2.86Å
36	S	96.2	Very high	84.8	Confident	14 Å²	14	65.1 Å²	65.1	10%	0.098	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	165	177.2	76	0	0	0	0	111.7	C33 R69 R70	C33-S36 VanDerWaalsContact SG-CA 3.57Å; S36-R69 WeakPolarHBondContact O-CD 3.49Å; S36-R69 WeakPolarHBondContact O-CG 3.37Å; S36-R69 PolarHBondContact O-NE 3.37Å; S36-R69 PolarHBondContact O-NH1 3.29Å; S36-R69 PolarHBondContact O-NH2 2.85Å; S36-R70 PolarHBondContact N-O 3.2Å; S36-R70 PolarHBondContact OG-N 3.06Å
37	A	95.4	Very high	85.6	Confident	58 Å²	58	64.5 Å²	64.5	48%	0.479	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	171.3	159.1	0	0	0	0	0	111.9	L39	A37-L39 PolarHBondContact O-N 3.23Å
38	I	96.5	Very high	86.4	Confident	78 Å²	78	57.3 Å²	57.3	40%	0.4	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	120.3	169.2	-55.8	-177	0	0	0	108.6	Y295	I38-Y295 HydrophobicContact CB-CE2 4.44Å; I38-Y295 HydrophobicContact CD1-CD1 4.25Å; I38-Y295 HydrophobicContact CD1-CD2 4.11Å; I38-Y295 HydrophobicContact CD1-CE1 3.95Å; I38-Y295 HydrophobicContact CD1-CE2 3.79Å; I38-Y295 HydrophobicContact CD1-CG 4.32Å; I38-Y295 HydrophobicContact CG1-CD2 4.18Å; I38-Y295 HydrophobicContact CG1-CE2 3.63Å; I38-Y295 HydrophobicContact CG2-CD2 3.99Å; I38-Y295 HydrophobicContact CG2-CE2 4.22Å
39	L	95.6	Very high	87.5	Confident	54 Å²	54	56.1 Å²	56.1	28%	0.283	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	154.6	179.6	-61.9	178.2	0	0	0	110.6	A37 T43 G67 I68 R70	A37-L39 PolarHBondContact O-N 3.23Å; L39-T43 HydrophobicContact CB-CG2 4.02Å; L39-T43 HydrophobicContact CD1-CG2 4.29Å; L39-G67 CarbonylContact O-C 3.5Å; L39-G67 VanDerWaalsContact O-CA 3.26Å; L39-G67 WeakPolarHBondContact O-CA 3.36Å; L39-I68 HydrophobicContact CB-CG2 4.17Å; L39-I68 PolarHBondContact N-O 3.49Å; L39-I68 PolarHBondContact O-N 2.86Å; L39-R70 HydrophobicContact CD1-CG 4.24Å
40	P	95	Very high	88.5	Confident	71 Å²	71	56.8 Å²	56.8	46%	0.461	35%	0.347	S	S	.	.			trans	-66.2	147.4	169.5	28.3	-33.1	0	0	0	110.3	S42 T43	P40-S42 PolarHBondContact O-N 3.35Å; P40-T43 HydrophobicContact CG-CG2 4.21Å; P40-T43 WeakPolarHBondContact O-CB 3.36Å; P40-T43 WeakPolarHBondContact O-CG2 3.34Å; P40-T43 PolarHBondContact O-N 3.42Å; P40-T43 PolarHBondContact O-OG1 3.3Å
41	L	94.5	Very high	89.5	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.6	176	-84	81.9	0	0	0	112.7	T43 L44 L58 M61 K62 G67	L41-T43 PolarHBondContact O-N 3Å; L41-L44 WeakPolarHBondContact O-CB 3.32Å; L41-L44 PolarHBondContact O-N 3.36Å; L41-L58 HydrophobicContact CB-CD1 4.15Å; L41-L58 HydrophobicContact CD2-CD1 4.3Å; L41-M61 HydrophobicContact CD2-CB 3.77Å; L41-M61 HydrophobicContact CD2-CE 4.16Å; L41-K62 HydrophobicContact CB-CG 3.91Å; L41-K62 HydrophobicContact CD2-CG 4.23Å; L41-G67 VanDerWaalsContact CD1-CA 3.5Å; L41-G67 VanDerWaalsContact CD1-N 3.29Å
42	S	91.2	Very high	90.5	Very high	59 Å²	59	57.8 Å²	57.8	41%	0.413	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.1	175	57.7	0	0	0	0	114	P40 L44 D45	P40-S42 PolarHBondContact O-N 3.35Å; S42-L44 PolarHBondContact O-N 3.42Å; S42-L44 VanDerWaalsContact O-N 3.15Å; S42-D45 WeakPolarHBondContact CA-OD2 3.2Å; S42-D45 VanDerWaalsContact CB-OD2 3.23Å; S42-D45 WeakPolarHBondContact CB-OD2 3.2Å; S42-D45 VanDerWaalsContact O-CB 3.32Å; S42-D45 WeakPolarHBondContact O-CB 3.46Å; S42-D45 PolarHBondContact O-N 3.11Å
43	T	90.4	Very high	91	Very high	38 Å²	38	57.3 Å²	57.3	23%	0.233	34%	0.343	C	S	.	.	H	α-helix	trans	-62.7	-16.2	171.5	55.8	0	0	0	0	113.3	L39 P40 L41	L39-T43 HydrophobicContact CB-CG2 4.02Å; L39-T43 HydrophobicContact CD1-CG2 4.29Å; P40-T43 HydrophobicContact CG-CG2 4.21Å; P40-T43 WeakPolarHBondContact O-CB 3.36Å; P40-T43 WeakPolarHBondContact O-CG2 3.34Å; P40-T43 PolarHBondContact O-N 3.42Å; P40-T43 PolarHBondContact O-OG1 3.3Å; L41-T43 PolarHBondContact O-N 3Å
44	L	91	Very high	90.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-85	-11.6	172.6	-63.7	174.8	0	0	0	113.6	L41 S42 E46 D47 F48 L58 I68 L285	L41-L44 WeakPolarHBondContact O-CB 3.32Å; L41-L44 PolarHBondContact O-N 3.36Å; S42-L44 PolarHBondContact O-N 3.42Å; S42-L44 VanDerWaalsContact O-N 3.15Å; L44-E46 VanDerWaalsContact C-N 3.25Å; L44-E46 PolarHBondContact O-N 3.13Å; L44-D47 PolarHBondContact O-N 3.32Å; L44-F48 HydrophobicContact CB-CD2 4.1Å; L44-F48 HydrophobicContact CB-CE2 3.85Å; L44-F48 HydrophobicContact CB-CZ 4.28Å; L44-F48 HydrophobicContact CD1-CE2 4.18Å; L44-F48 HydrophobicContact CD1-CZ 4.31Å; L44-F48 HydrophobicContact CD2-CZ 4.49Å; L44-F48 WeakPolarHBondContact O-CB 3.4Å; L44-F48 WeakPolarHBondContact O-CD2 3.5Å; L44-F48 VanDerWaalsContact O-CG 3.27Å; L44-F48 WeakPolarHBondContact O-CG 3.15Å; L44-F48 PolarHBondContact O-N 3.37Å; L44-L58 HydrophobicContact CB-CD1 4.01Å; L44-L58 HydrophobicContact CB-CD2 3.88Å; L44-L58 HydrophobicContact CD1-CD1 3.89Å; L44-I68 HydrophobicContact CD1-CD1 3.91Å; L44-I68 HydrophobicContact CD2-CD1 4.21Å; L44-I68 HydrophobicContact CG-CD1 4.26Å; L44-L285 HydrophobicContact CD1-CD2 3.82Å
45	D	87.8	Confident	90.6	Very high	55 Å²	55	57.7 Å²	57.7	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-37.5	180	-67.5	-60.5	0	0	0	110.6	S42 F48 T49 L58 K62	S42-D45 WeakPolarHBondContact CA-OD2 3.2Å; S42-D45 VanDerWaalsContact CB-OD2 3.23Å; S42-D45 WeakPolarHBondContact CB-OD2 3.2Å; S42-D45 VanDerWaalsContact O-CB 3.32Å; S42-D45 WeakPolarHBondContact O-CB 3.46Å; S42-D45 PolarHBondContact O-N 3.11Å; D45-F48 PolarHBondContact O-N 3.02Å; D45-T49 PolarHBondContact O-N 3.46Å; D45-T49 VanDerWaalsContact O-N 3.09Å; D45-T49 PolarHBondContact O-OG1 2.73Å; D45-L58 HydrophobicContact CB-CD2 4.46Å; D45-L58 WeakPolarHBondContact OD1-CD2 3.49Å; D45-K62 VanDerWaalsContact CG-NZ 3.28Å; D45-K62 IonicContact OD1-NZ 3.7Å; D45-K62 PolarHBondContact OD1-NZ 3.22Å; D45-K62 IonicContact OD2-NZ 3.23Å; D45-K62 PolarHBondContact OD2-NZ 3Å
46	E	83.5	Confident	90.3	Very high	161 Å²	161	63.3 Å²	63.3	75%	0.752	36%	0.364	S	S	*	.	H	α-helix	trans	-66.3	-48.1	175	-66.7	177.8	-173.3	0	0	111.5	L44 F48 T49	L44-E46 VanDerWaalsContact C-N 3.25Å; L44-E46 PolarHBondContact O-N 3.13Å; E46-F48 PolarHBondContact O-N 3.11Å; E46-F48 VanDerWaalsContact O-N 3.17Å; E46-T49 WeakPolarHBondContact O-CB 3.49Å; E46-T49 PolarHBondContact O-N 2.95Å; E46-T49 VanDerWaalsContact O-N 3.16Å; E46-T49 PolarHBondContact O-OG1 3.13Å
47	D	84.8	Confident	90.2	Very high	63 Å²	63	63 Å²	63	34%	0.337	36%	0.361	S	S	.	.	H	α-helix	trans	-58.8	-29.1	177.5	-66.1	8.2	0	0	0	112.5	L44 R70 R287	L44-D47 PolarHBondContact O-N 3.32Å; D47-R70 VanDerWaalsContact CG-NH1 3.28Å; D47-R70 IonicContact OD1-NH1 2.7Å; D47-R70 PolarHBondContact OD1-NH1 2.99Å; D47-R70 VanDerWaalsContact OD1-NH1 3.1Å; D47-R70 IonicContact OD2-CZ 3.91Å; D47-R70 IonicContact OD2-NH1 3.94Å; D47-R70 PolarHBondContact OD2-NH1 2.9Å; D47-R287 IonicContact OD2-CZ 2.96Å; D47-R287 IonicContact OD2-NH1 3.98Å; D47-R287 PolarHBondContact OD2-NH1 2.99Å; D47-R287 IonicContact OD2-NH2 2.71Å
48	F	86.7	Confident	90.1	Very high	9 Å²	9	60.2 Å²	60.2	4%	0.039	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	2.8	-176.4	-62.2	-19.1	0	0	0	113.7	L44 D45 E46 G50 H51 Y54 L55 L58	L44-F48 HydrophobicContact CB-CD2 4.1Å; L44-F48 HydrophobicContact CB-CE2 3.85Å; L44-F48 HydrophobicContact CB-CZ 4.28Å; L44-F48 HydrophobicContact CD1-CE2 4.18Å; L44-F48 HydrophobicContact CD1-CZ 4.31Å; L44-F48 HydrophobicContact CD2-CZ 4.49Å; L44-F48 WeakPolarHBondContact O-CB 3.4Å; L44-F48 WeakPolarHBondContact O-CD2 3.5Å; L44-F48 VanDerWaalsContact O-CG 3.27Å; L44-F48 WeakPolarHBondContact O-CG 3.15Å; L44-F48 PolarHBondContact O-N 3.37Å; D45-F48 PolarHBondContact O-N 3.02Å; E46-F48 PolarHBondContact O-N 3.11Å; E46-F48 VanDerWaalsContact O-N 3.17Å; F48-G50 PolarHBondContact O-N 3.24Å; F48-H51 PolarHBondContact O-N 2.96Å; F48-Y54 HydrophobicContact CD1-CD2 4.22Å; F48-Y54 AromaticContact CD1-CG 3.99Å; F48-Y54 HydrophobicContact CD1-CG 3.99Å; F48-Y54 WeakPolarHBondContact CD2-O 3.44Å; F48-Y54 HydrophobicContact CE1-CD1 4.49Å; F48-Y54 HydrophobicContact CE1-CG 4.21Å; F48-Y54 VanDerWaalsContact CG-CB 3.43Å; F48-Y54 HydrophobicContact CG-CG 4.3Å; F48-L55 HydrophobicContact CB-CD2 3.77Å; F48-L55 HydrophobicContact CB-CG 4.16Å; F48-L58 HydrophobicContact CD2-CB 3.9Å; F48-L58 HydrophobicContact CD2-CD2 3.83Å; F48-L58 HydrophobicContact CD2-CG 4.37Å; F48-L58 HydrophobicContact CE2-CB 3.99Å; F48-L58 HydrophobicContact CE2-CD1 4.38Å; F48-L58 HydrophobicContact CE2-CD2 4.25Å; F48-L58 HydrophobicContact CE2-CG 4.44Å
49	T	84.2	Confident	90	Very high	102 Å²	102	63.2 Å²	63.2	63%	0.626	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	130.5	178.8	-68.8	0	0	0	0	110.1	D45 E46 H51	D45-T49 PolarHBondContact O-N 3.46Å; D45-T49 VanDerWaalsContact O-N 3.09Å; D45-T49 PolarHBondContact O-OG1 2.73Å; E46-T49 WeakPolarHBondContact O-CB 3.49Å; E46-T49 PolarHBondContact O-N 2.95Å; E46-T49 VanDerWaalsContact O-N 3.16Å; E46-T49 PolarHBondContact O-OG1 3.13Å; T49-H51 VanDerWaalsContact C-N 3.34Å
50	G	85.3	Confident	89.9	Confident	73 Å²	73	64.6 Å²	64.6	75%	0.753	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-7.4	-176	0	0	0	0	0	115.2	F48	F48-G50 PolarHBondContact O-N 3.24Å
51	H	88.1	Confident	89.9	Confident	95 Å²	95	61.2 Å²	61.2	44%	0.44	33%	0.334	S	S	.	.			trans	-119.2	87.8	-179.8	-61.5	-71.9	0	0	0	111.4	F48 T49 V53 Y54 L55	F48-H51 PolarHBondContact O-N 2.96Å; T49-H51 VanDerWaalsContact C-N 3.34Å; H51-V53 PolarHBondContact O-N 2.97Å; H51-V53 VanDerWaalsContact O-N 3.13Å; H51-Y54 HydrophobicContact CB-CD2 3.49Å; H51-Y54 VanDerWaalsContact CB-CD2 3.49Å; H51-Y54 HydrophobicContact CB-CE2 4.29Å; H51-Y54 HydrophobicContact CB-CG 4.32Å; H51-Y54 AromaticContact CG-CD2 3.99Å; H51-Y54 PolarHBondContact O-N 3.31Å; H51-L55 PolarHBondContact O-N 3.37Å
52	L	89.1	Confident	89.8	Confident	135 Å²	135	64.8 Å²	64.8	71%	0.707	35%	0.349	S	S	*	.	H	α-helix	trans	-51.4	-40.6	-175.8	-69.9	174.8	0	0	0	113.5	Y54 L55 E56	L52-Y54 VanDerWaalsContact C-N 3.34Å; L52-Y54 PolarHBondContact O-N 3.09Å; L52-L55 PolarHBondContact O-N 3.03Å; L52-E56 WeakPolarHBondContact O-CG 3.44Å; L52-E56 PolarHBondContact O-N 3.37Å
53	V	89	Confident	90	Very high	63 Å²	63	68 Å²	68	38%	0.382	36%	0.357	S	S	.	.	H	α-helix	trans	-58.8	-44.5	178.7	179.5	0	0	0	0	111.5	H51 E56 K57	H51-V53 PolarHBondContact O-N 2.97Å; H51-V53 VanDerWaalsContact O-N 3.13Å; V53-E56 PolarHBondContact O-N 2.84Å; V53-K57 WeakPolarHBondContact O-CG 3.34Å; V53-K57 PolarHBondContact O-N 2.9Å
54	Y	90	Very high	90.1	Very high	27 Å²	27	69.5 Å²	69.5	11%	0.106	36%	0.364	C	S	.	.	H	α-helix	trans	-69.9	-35.1	178.7	-67.9	-50.8	0	0	0	112.4	F48 H51 L52 E56 K57 L58 C225 Q227	F48-Y54 HydrophobicContact CD1-CD2 4.22Å; F48-Y54 AromaticContact CD1-CG 3.99Å; F48-Y54 HydrophobicContact CD1-CG 3.99Å; F48-Y54 WeakPolarHBondContact CD2-O 3.44Å; F48-Y54 HydrophobicContact CE1-CD1 4.49Å; F48-Y54 HydrophobicContact CE1-CG 4.21Å; F48-Y54 VanDerWaalsContact CG-CB 3.43Å; F48-Y54 HydrophobicContact CG-CG 4.3Å; H51-Y54 HydrophobicContact CB-CD2 3.49Å; H51-Y54 VanDerWaalsContact CB-CD2 3.49Å; H51-Y54 HydrophobicContact CB-CE2 4.29Å; H51-Y54 HydrophobicContact CB-CG 4.32Å; H51-Y54 AromaticContact CG-CD2 3.99Å; H51-Y54 PolarHBondContact O-N 3.31Å; L52-Y54 VanDerWaalsContact C-N 3.34Å; L52-Y54 PolarHBondContact O-N 3.09Å; Y54-E56 VanDerWaalsContact C-N 3.31Å; Y54-E56 PolarHBondContact O-N 2.83Å; Y54-K57 PolarHBondContact O-N 3.3Å; Y54-L58 VanDerWaalsContact O-CB 3.31Å; Y54-L58 WeakPolarHBondContact O-CB 3.42Å; Y54-L58 PolarHBondContact O-N 2.74Å; Y54-C225 VanDerWaalsContact CE1-O 3.28Å; Y54-C225 WeakPolarHBondContact CE1-O 3.37Å; Y54-Q227 WeakPolarHBondContact OH-CB 3.07Å; Y54-Q227 PolarHBondContact OH-N 3.1Å
55	L	90.7	Very high	90.3	Very high	47 Å²	47	69.9 Å²	69.9	25%	0.246	37%	0.365	C	S	.	.	H	α-helix	trans	-64.9	-35.8	174.4	-66.4	172.8	0	0	0	112	F48 H51 L52 K59	F48-L55 HydrophobicContact CB-CD2 3.77Å; F48-L55 HydrophobicContact CB-CG 4.16Å; H51-L55 PolarHBondContact O-N 3.37Å; L52-L55 PolarHBondContact O-N 3.03Å; L55-K59 WeakPolarHBondContact O-CG 3.38Å; L55-K59 PolarHBondContact O-N 3.19Å; L55-K59 VanDerWaalsContact O-N 3.11Å
56	E	92.5	Very high	90.6	Very high	120 Å²	120	73 Å²	73	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-67.2	-46.8	173.2	-72.2	176.8	164.5	0	0	111.8	L52 V53 Y54 L58 K59 L60	L52-E56 WeakPolarHBondContact O-CG 3.44Å; L52-E56 PolarHBondContact O-N 3.37Å; V53-E56 PolarHBondContact O-N 2.84Å; Y54-E56 VanDerWaalsContact C-N 3.31Å; Y54-E56 PolarHBondContact O-N 2.83Å; E56-L58 VanDerWaalsContact C-N 3.28Å; E56-L58 PolarHBondContact O-N 3.14Å; E56-K59 WeakPolarHBondContact O-CB 3.49Å; E56-K59 PolarHBondContact O-N 3.49Å; E56-K59 VanDerWaalsContact O-N 3.14Å; E56-L60 PolarHBondContact O-N 3.09Å
57	K	93.9	Very high	91.2	Very high	8 Å²	8	65.3 Å²	65.3	4%	0.035	34%	0.338	C	S	.	.	H	α-helix	trans	-59.2	-40.6	174.2	-65.8	-170.8	-176.2	-162.8	0	111.5	V53 Y54 K59 L60 M61 Q226 S228 G229 E230 L231	V53-K57 WeakPolarHBondContact O-CG 3.34Å; V53-K57 PolarHBondContact O-N 2.9Å; Y54-K57 PolarHBondContact O-N 3.3Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-K59 PolarHBondContact O-N 3.38Å; K57-L60 WeakPolarHBondContact O-CB 3.38Å; K57-L60 PolarHBondContact O-N 3.38Å; K57-L60 VanDerWaalsContact O-N 3.13Å; K57-M61 WeakPolarHBondContact O-CG 3.32Å; K57-M61 PolarHBondContact O-N 3.12Å; K57-Q226 WeakPolarHBondContact CE-O 3.18Å; K57-Q226 PolarHBondContact NZ-O 3.36Å; K57-S228 PolarHBondContact NZ-O 3.44Å; K57-G229 WeakPolarHBondContact CE-O 3.14Å; K57-G229 PolarHBondContact NZ-O 2.87Å; K57-E230 VanDerWaalsContact CE-C 3.49Å; K57-E230 VanDerWaalsContact NZ-C 3.3Å; K57-E230 PolarHBondContact NZ-O 3.32Å; K57-L231 HydrophobicContact CB-CB 4.15Å; K57-L231 HydrophobicContact CB-CD1 4.45Å; K57-L231 HydrophobicContact CD-CB 4.1Å; K57-L231 HydrophobicContact CG-CB 3.91Å
58	L	93.3	Very high	91.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-38	176.6	-177.2	56.8	0	0	0	112.6	L41 L44 D45 F48 Y54 E56 L60 M61 K62	L41-L58 HydrophobicContact CB-CD1 4.15Å; L41-L58 HydrophobicContact CD2-CD1 4.3Å; L44-L58 HydrophobicContact CB-CD1 4.01Å; L44-L58 HydrophobicContact CB-CD2 3.88Å; L44-L58 HydrophobicContact CD1-CD1 3.89Å; D45-L58 HydrophobicContact CB-CD2 4.46Å; D45-L58 WeakPolarHBondContact OD1-CD2 3.49Å; F48-L58 HydrophobicContact CD2-CB 3.9Å; F48-L58 HydrophobicContact CD2-CD2 3.83Å; F48-L58 HydrophobicContact CD2-CG 4.37Å; F48-L58 HydrophobicContact CE2-CB 3.99Å; F48-L58 HydrophobicContact CE2-CD1 4.38Å; F48-L58 HydrophobicContact CE2-CD2 4.25Å; F48-L58 HydrophobicContact CE2-CG 4.44Å; Y54-L58 VanDerWaalsContact O-CB 3.31Å; Y54-L58 WeakPolarHBondContact O-CB 3.42Å; Y54-L58 PolarHBondContact O-N 2.74Å; E56-L58 VanDerWaalsContact C-N 3.28Å; E56-L58 PolarHBondContact O-N 3.14Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 2.93Å; L58-M61 PolarHBondContact O-N 3.47Å; L58-K62 HydrophobicContact CD1-CG 4.38Å; L58-K62 HydrophobicContact CG-CD 4.23Å; L58-K62 WeakPolarHBondContact O-CB 3.03Å; L58-K62 VanDerWaalsContact O-CG 3.31Å; L58-K62 WeakPolarHBondContact O-CG 3.06Å; L58-K62 PolarHBondContact O-N 2.72Å
59	K	93.4	Very high	92.3	Very high	141 Å²	141	61.9 Å²	61.9	61%	0.613	32%	0.32	S	S	*	.	H	α-helix	trans	-61.4	-40.4	173.8	-72.4	172.8	-173.8	174.4	0	111.7	L55 E56 K57	L55-K59 WeakPolarHBondContact O-CG 3.38Å; L55-K59 PolarHBondContact O-N 3.19Å; L55-K59 VanDerWaalsContact O-N 3.11Å; E56-K59 WeakPolarHBondContact O-CB 3.49Å; E56-K59 PolarHBondContact O-N 3.49Å; E56-K59 VanDerWaalsContact O-N 3.14Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-K59 PolarHBondContact O-N 3.38Å
60	L	93.7	Very high	92.9	Very high	83 Å²	83	60.8 Å²	60.8	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-66.2	-45.8	175.5	-63.4	173.3	0	0	0	111	E56 K57 L58 K62 Q63 L231	E56-L60 PolarHBondContact O-N 3.09Å; K57-L60 WeakPolarHBondContact O-CB 3.38Å; K57-L60 PolarHBondContact O-N 3.38Å; K57-L60 VanDerWaalsContact O-N 3.13Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 2.93Å; L60-K62 VanDerWaalsContact C-N 3.32Å; L60-K62 PolarHBondContact O-N 2.77Å; L60-Q63 VanDerWaalsContact O-CB 3.3Å; L60-Q63 WeakPolarHBondContact O-CB 3.16Å; L60-Q63 PolarHBondContact O-N 3.04Å; L60-L231 HydrophobicContact CB-CD2 3.84Å; L60-L231 HydrophobicContact CD1-CB 4.35Å
61	M	94.1	Very high	93.4	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-41.4	177.3	-68.4	176.9	60.8	0	0	112.5	L41 K57 L58 Q63 N64 Y65 L231 L285 L294	L41-M61 HydrophobicContact CD2-CB 3.77Å; L41-M61 HydrophobicContact CD2-CE 4.16Å; K57-M61 WeakPolarHBondContact O-CG 3.32Å; K57-M61 PolarHBondContact O-N 3.12Å; L58-M61 PolarHBondContact O-N 3.47Å; M61-Q63 PolarHBondContact O-N 3.38Å; M61-N64 PolarHBondContact O-N 2.77Å; M61-Y65 HydrophobicContact CB-CD2 4.2Å; M61-Y65 WeakPolarHBondContact O-CD2 3.5Å; M61-Y65 PolarHBondContact O-N 2.63Å; M61-L231 HydrophobicContact CG-CD1 4.1Å; M61-L231 HydrophobicContact CG-CD2 3.52Å; M61-L231 HydrophobicContact CG-CG 4.48Å; M61-L231 HydrophobicContact SD-CD1 4.27Å; M61-L285 HydrophobicContact CE-CD1 3.55Å; M61-L285 HydrophobicContact CE-CD2 3.96Å; M61-L285 HydrophobicContact CE-CG 4.2Å; M61-L285 HydrophobicContact SD-CD1 3.82Å; M61-L294 HydrophobicContact CE-CD1 3.82Å; M61-L294 HydrophobicContact CE-CD2 3.61Å; M61-L294 HydrophobicContact CE-CG 4.35Å
62	K	94.3	Very high	93.7	Very high	81 Å²	81	54.4 Å²	54.4	35%	0.352	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-16.4	177.3	-76.8	170.8	174.3	171.5	0	113.3	L41 D45 L58 L60	L41-K62 HydrophobicContact CB-CG 3.91Å; L41-K62 HydrophobicContact CD2-CG 4.23Å; D45-K62 VanDerWaalsContact CG-NZ 3.28Å; D45-K62 IonicContact OD1-NZ 3.7Å; D45-K62 PolarHBondContact OD1-NZ 3.22Å; D45-K62 IonicContact OD2-NZ 3.23Å; D45-K62 PolarHBondContact OD2-NZ 3Å; L58-K62 HydrophobicContact CD1-CG 4.38Å; L58-K62 HydrophobicContact CG-CD 4.23Å; L58-K62 WeakPolarHBondContact O-CB 3.03Å; L58-K62 VanDerWaalsContact O-CG 3.31Å; L58-K62 WeakPolarHBondContact O-CG 3.06Å; L58-K62 PolarHBondContact O-N 2.72Å; L60-K62 VanDerWaalsContact C-N 3.32Å; L60-K62 PolarHBondContact O-N 2.77Å
63	Q	93.7	Very high	93.9	Very high	126 Å²	126	54 Å²	54	59%	0.589	24%	0.243	S	C	*	.	H	α-helix	trans	-80.4	-28.9	175	-59.3	171.6	13.1	0	0	112.9	L60 M61 N297	L60-Q63 VanDerWaalsContact O-CB 3.3Å; L60-Q63 WeakPolarHBondContact O-CB 3.16Å; L60-Q63 PolarHBondContact O-N 3.04Å; M61-Q63 PolarHBondContact O-N 3.38Å; Q63-N297 PolarHBondContact O-ND2 3.48Å
64	N	92.5	Very high	94.1	Very high	70 Å²	70	52.5 Å²	52.5	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-108.6	-20.2	-172.3	-65.1	-33.2	0	0	0	113.2	M61 P296 N297	M61-N64 PolarHBondContact O-N 2.77Å; N64-P296 CarbonylContact O-C 3.57Å; N64-P296 WeakPolarHBondContact O-CA 3.16Å; N64-N297 PolarHBondContact O-N 2.92Å
65	Y	95.5	Very high	94.3	Very high	8 Å²	8	51.8 Å²	51.8	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.8	-171.6	-60.3	-73	0	0	0	112.2	M61 E223 R233 T283 L294 Y295 P296 N297	M61-Y65 HydrophobicContact CB-CD2 4.2Å; M61-Y65 WeakPolarHBondContact O-CD2 3.5Å; M61-Y65 PolarHBondContact O-N 2.63Å; Y65-E223 HydrophobicContact CE2-CG 3.72Å; Y65-E223 VanDerWaalsContact OH-CD 3.29Å; Y65-E223 WeakPolarHBondContact OH-CG 3.22Å; Y65-E223 PolarHBondContact OH-OE1 3.31Å; Y65-R233 PolarHBondContact OH-NH2 2.79Å; Y65-T283 HydrophobicContact CE1-CG2 3.8Å; Y65-L294 HydrophobicContact CD1-CB 3.7Å; Y65-L294 HydrophobicContact CD1-CD1 4.3Å; Y65-L294 HydrophobicContact CD1-CG 4.45Å; Y65-L294 HydrophobicContact CD2-CD1 4.2Å; Y65-L294 HydrophobicContact CE1-CB 3.88Å; Y65-L294 HydrophobicContact CE1-CD1 4.15Å; Y65-L294 HydrophobicContact CE2-CD1 4.05Å; Y65-L294 HydrophobicContact CG-CB 4.27Å; Y65-L294 HydrophobicContact CG-CD1 4.34Å; Y65-L294 HydrophobicContact CG-CD2 4.41Å; Y65-Y295 CarbonylContact C-O 3.54Å; Y65-Y295 VanDerWaalsContact CA-O 3.28Å; Y65-Y295 WeakPolarHBondContact CA-O 3.38Å; Y65-P296 HydrophobicContact CD1-CB 4.4Å; Y65-P296 HydrophobicContact CE1-CB 4.39Å; Y65-N297 VanDerWaalsContact C-OD1 3.3Å
66	R	94.5	Very high	94.6	Very high	120 Å²	120	49.9 Å²	49.9	45%	0.453	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-26.4	180	69.5	-177.1	-172.9	-108.2	2.8	113.3	Y295 P296 N297	R66-Y295 PolarHBondContact N-O 3.5Å; R66-P296 WeakPolarHBondContact CD-O 3.31Å; R66-P296 PolarHBondContact NH1-O 3.44Å; R66-N297 WeakPolarHBondContact CA-OD1 3.49Å; R66-N297 WeakPolarHBondContact CB-OD1 3.35Å; R66-N297 PolarHBondContact N-OD1 3.33Å; R66-N297 VanDerWaalsContact N-OD1 3.12Å
67	G	96	Very high	94.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	167.6	-171.9	0	0	0	0	0	113.1	L39 L41 Y295	L39-G67 CarbonylContact O-C 3.5Å; L39-G67 VanDerWaalsContact O-CA 3.26Å; L39-G67 WeakPolarHBondContact O-CA 3.36Å; L41-G67 VanDerWaalsContact CD1-CA 3.5Å; L41-G67 VanDerWaalsContact CD1-N 3.29Å; G67-Y295 PolarHBondContact O-N 3.15Å
68	I	97.2	Very high	95	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.9	177.1	-173.8	170.5	0	0	0	109.8	L39 L44 R70 L285 D292 I293 L294	L39-I68 HydrophobicContact CB-CG2 4.17Å; L39-I68 PolarHBondContact N-O 3.49Å; L39-I68 PolarHBondContact O-N 2.86Å; L44-I68 HydrophobicContact CD1-CD1 3.91Å; L44-I68 HydrophobicContact CD2-CD1 4.21Å; L44-I68 HydrophobicContact CG-CD1 4.26Å; I68-R70 HydrophobicContact CG1-CG 4.48Å; I68-L285 HydrophobicContact CD1-CD2 3.85Å; I68-D292 HydrophobicContact CD1-CB 3.71Å; I68-D292 HydrophobicContact CG1-CB 3.87Å; I68-I293 CarbonylContact C-O 3.54Å; I68-I293 VanDerWaalsContact CA-O 3.25Å; I68-I293 WeakPolarHBondContact CA-O 3.24Å; I68-I293 WeakPolarHBondContact CG1-O 3.37Å; I68-L294 HydrophobicContact CB-CD2 4.41Å; I68-L294 HydrophobicContact CD1-CD2 4.39Å; I68-L294 HydrophobicContact CG1-CD2 4.31Å
69	R	97.4	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.5	162.1	-142.5	171.1	-131.5	-85.5	-15.7	107.8	I35 S36 L71 F84 E148 D292 I293 Y295	I35-R69 VanDerWaalsContact CG1-NH1 3.27Å; S36-R69 WeakPolarHBondContact O-CD 3.49Å; S36-R69 WeakPolarHBondContact O-CG 3.37Å; S36-R69 PolarHBondContact O-NE 3.37Å; S36-R69 PolarHBondContact O-NH1 3.29Å; S36-R69 PolarHBondContact O-NH2 2.85Å; R69-L71 HydrophobicContact CB-CD1 4.36Å; R69-L71 WeakPolarHBondContact O-CD1 3.38Å; R69-F84 VanDerWaalsContact CD-CE1 3.42Å; R69-F84 VanDerWaalsContact NE-CE1 3.27Å; R69-E148 IonicContact CZ-OE1 3.98Å; R69-E148 IonicContact CZ-OE2 2.77Å; R69-E148 IonicContact NH2-OE1 3.01Å; R69-E148 PolarHBondContact NH2-OE1 3.42Å; R69-E148 IonicContact NH2-OE2 3.78Å; R69-E148 PolarHBondContact NH2-OE2 3.33Å; R69-D292 WeakPolarHBondContact O-CB 3.42Å; R69-I293 HydrophobicContact CB-CB 3.82Å; R69-I293 HydrophobicContact CB-CD1 4.07Å; R69-I293 HydrophobicContact CB-CG1 4.31Å; R69-I293 PolarHBondContact N-O 2.87Å; R69-I293 PolarHBondContact O-N 3.28Å; R69-Y295 HydrophobicContact CB-CE2 3.95Å
70	R	96	Very high	95.5	Very high	79 Å²	79	37.5 Å²	37.5	30%	0.298	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.9	177.1	-62.4	-133	-61.7	-161.9	3.1	110.5	S36 L39 D47 I68 D292	S36-R70 PolarHBondContact N-O 3.2Å; S36-R70 PolarHBondContact OG-N 3.06Å; L39-R70 HydrophobicContact CD1-CG 4.24Å; D47-R70 VanDerWaalsContact CG-NH1 3.28Å; D47-R70 IonicContact OD1-NH1 2.7Å; D47-R70 PolarHBondContact OD1-NH1 2.99Å; D47-R70 VanDerWaalsContact OD1-NH1 3.1Å; D47-R70 IonicContact OD2-CZ 3.91Å; D47-R70 IonicContact OD2-NH1 3.94Å; D47-R70 PolarHBondContact OD2-NH1 2.9Å; I68-R70 HydrophobicContact CG1-CG 4.48Å; R70-D292 VanDerWaalsContact CA-OD1 3.25Å; R70-D292 WeakPolarHBondContact CA-OD1 3.33Å
71	L	96.4	Very high	95.7	Very high	13 Å²	13	33.5 Å²	33.5	7%	0.068	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	152.2	179.8	-84	55.8	0	0	0	111	L34 I35 R69 C77 A81 H290 D292 I293	L34-L71 WeakPolarHBondContact O-CA 3.37Å; I35-L71 HydrophobicContact CG2-CD1 4.24Å; I35-L71 HydrophobicContact CG2-CG 4.14Å; R69-L71 HydrophobicContact CB-CD1 4.36Å; R69-L71 WeakPolarHBondContact O-CD1 3.38Å; L71-C77 HydrophobicContact CB-CB 4.18Å; L71-C77 HydrophobicContact CD2-CB 4.25Å; L71-C77 WeakPolarHBondContact CD2-O 3.44Å; L71-A81 VanDerWaalsContact CD2-CA 3.49Å; L71-A81 HydrophobicContact CD2-CB 3.31Å; L71-H290 PolarHBondContact O-CE1 2.94Å; L71-H290 PolarHBondContact O-NE2 2.78Å; L71-D292 PolarHBondContact N-OD1 3.42Å; L71-I293 HydrophobicContact CD1-CD1 4.19Å; L71-I293 HydrophobicContact CD1-CG1 4.12Å
72	R	95.1	Very high	95.9	Very high	21 Å²	21	33.6 Å²	33.6	8%	0.079	15%	0.149	C	C	.	.			trans	-63.4	138.1	169.8	-168.1	-177.6	-66.4	163.6	-0	109.9	M29 K30 T32 L34 D74	M29-R72 PolarHBondContact O-NE 3.19Å; K30-R72 PolarHBondContact O-NH2 2.8Å; T32-R72 PolarHBondContact O-NE 3.49Å; T32-R72 PolarHBondContact O-NH2 2.9Å; L34-R72 HydrophobicContact CD2-CB 4.3Å; L34-R72 PolarHBondContact O-N 3.49Å; R72-D74 HydrophobicContact CG-CB 4.19Å; R72-D74 PolarHBondContact O-N 2.88Å
73	R	92.7	Very high	96.1	Very high	126 Å²	126	29.8 Å²	29.8	48%	0.475	13%	0.132	S	C	.	.			trans	-78.9	40.3	179.8	-84.7	176.7	-177	-158.9	5.3	113.4	M29 G75 H290	M29-R73 HydrophobicContact CE-CB 3.18Å; M29-R73 WeakPolarHBondContact CE-O 3.34Å; R73-G75 VanDerWaalsContact C-N 3.29Å; R73-G75 PolarHBondContact O-N 2.79Å; R73-H290 HydrophobicContact CG-CB 4.12Å; R73-H290 VanDerWaalsContact CG-CG 3.49Å; R73-H290 WeakPolarHBondContact CG-ND1 3.35Å
74	D	93.3	Very high	96.4	Very high	31 Å²	31	23.8 Å²	23.8	17%	0.166	10%	0.104	C	C	.	.	S	Bend	trans	-90	23.5	-170.6	63.9	-1.3	0	0	0	114.5	R72 N76 R80 A201	R72-D74 HydrophobicContact CG-CB 4.19Å; R72-D74 PolarHBondContact O-N 2.88Å; D74-N76 PolarHBondContact O-N 2.88Å; D74-N76 PolarHBondContact O-ND2 2.9Å; D74-N76 WeakPolarHBondContact OD1-CA 3.46Å; D74-N76 VanDerWaalsContact OD1-CB 3.32Å; D74-N76 WeakPolarHBondContact OD1-CB 3.39Å; D74-N76 PolarHBondContact OD1-N 2.97Å; D74-R80 IonicContact OD1-NH2 3.9Å; D74-R80 IonicContact OD2-CZ 3.19Å; D74-R80 IonicContact OD2-NE 2.69Å; D74-R80 IonicContact OD2-NH2 3.3Å; D74-R80 PolarHBondContact OD2-NH2 2.57Å; D74-A201 WeakPolarHBondContact O-CA 3.43Å; D74-A201 WeakPolarHBondContact O-CB 3.43Å
75	G	93.7	Very high	96.7	Very high	13 Å²	13	20.7 Å²	20.7	13%	0.134	9%	0.089	C	C	.	.	S	Bend	trans	68.8	-9	-172.7	0	0	0	0	0	114.7	R73 R165 R202	R73-G75 VanDerWaalsContact C-N 3.29Å; R73-G75 PolarHBondContact O-N 2.79Å; G75-R165 PolarHBondContact O-NH2 3.17Å; G75-R165 VanDerWaalsContact O-NH2 3.13Å; G75-R202 CarbonylContact O-C 3.5Å
76	N	97	Very high	96.8	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.037	9%	0.087	C	C	.	.			trans	-101.5	-0.5	178.3	-58.5	-52	0	0	0	112.8	D74 F78 Y79 R80 V161 R165 A201	D74-N76 PolarHBondContact O-N 2.88Å; D74-N76 PolarHBondContact O-ND2 2.9Å; D74-N76 WeakPolarHBondContact OD1-CA 3.46Å; D74-N76 VanDerWaalsContact OD1-CB 3.32Å; D74-N76 WeakPolarHBondContact OD1-CB 3.39Å; D74-N76 PolarHBondContact OD1-N 2.97Å; N76-F78 VanDerWaalsContact C-N 3.28Å; N76-F78 PolarHBondContact O-N 3.41Å; N76-F78 VanDerWaalsContact O-N 3.17Å; N76-Y79 PolarHBondContact O-N 2.88Å; N76-R80 WeakPolarHBondContact O-CB 3.46Å; N76-R80 PolarHBondContact O-N 3.43Å; N76-V161 HydrophobicContact CB-CG1 3.86Å; N76-V161 HydrophobicContact CB-CG2 4.25Å; N76-R165 PolarHBondContact OD1-NE 3.06Å; N76-R165 PolarHBondContact OD1-NH2 3.39Å; N76-A201 PolarHBondContact OD1-N 2.86Å
77	C	97.2	Very high	97	Very high	7 Å²	7	14.7 Å²	14.7	5%	0.047	7%	0.066	C	C	.	.	H	α-helix	trans	-50.3	-43.2	-173.8	60	0	0	0	0	113.1	L71 R80 A81 Y291	L71-C77 HydrophobicContact CB-CB 4.18Å; L71-C77 HydrophobicContact CD2-CB 4.25Å; L71-C77 WeakPolarHBondContact CD2-O 3.44Å; C77-R80 PolarHBondContact O-N 3.29Å; C77-A81 WeakPolarHBondContact O-CB 3.39Å; C77-A81 PolarHBondContact O-N 2.9Å; C77-Y291 PolarHBondContact SG-N 3.38Å; C77-Y291 VanDerWaalsContact SG-N 3.38Å
78	F	98.3	Very high	97	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.6	-56	178.5	169	-114.8	0	0	0	112.8	N76 R80 A81 F82 H208 V209 L212 L284 Y291	N76-F78 VanDerWaalsContact C-N 3.28Å; N76-F78 PolarHBondContact O-N 3.41Å; N76-F78 VanDerWaalsContact O-N 3.17Å; F78-R80 VanDerWaalsContact C-N 3.31Å; F78-R80 PolarHBondContact O-N 3.48Å; F78-A81 WeakPolarHBondContact O-CB 3.37Å; F78-A81 PolarHBondContact O-N 3.25Å; F78-F82 PolarHBondContact O-N 2.57Å; F78-H208 HydrophobicContact CE1-CB 4.34Å; F78-V209 HydrophobicContact CD2-CG2 4.05Å; F78-V209 HydrophobicContact CE1-CG2 4.41Å; F78-V209 HydrophobicContact CE2-CB 4.12Å; F78-V209 HydrophobicContact CE2-CG1 3.87Å; F78-V209 HydrophobicContact CE2-CG2 3.69Å; F78-V209 HydrophobicContact CZ-CB 4.04Å; F78-V209 HydrophobicContact CZ-CG1 4.08Å; F78-V209 HydrophobicContact CZ-CG2 3.88Å; F78-L212 HydrophobicContact CE1-CB 4.29Å; F78-L212 HydrophobicContact CE1-CD2 3.62Å; F78-L212 HydrophobicContact CE2-CD2 4.44Å; F78-L212 HydrophobicContact CZ-CB 4.08Å; F78-L212 HydrophobicContact CZ-CD2 3.44Å; F78-L212 VanDerWaalsContact CZ-CD2 3.44Å; F78-L212 HydrophobicContact CZ-CG 4.36Å; F78-L284 HydrophobicContact CD2-CD1 3.84Å; F78-L284 HydrophobicContact CE2-CD1 3.96Å; F78-Y291 HydrophobicContact CB-CD2 3.74Å; F78-Y291 HydrophobicContact CB-CE2 4.04Å; F78-Y291 HydrophobicContact CB-CG 4.2Å; F78-Y291 HydrophobicContact CD2-CD1 4.43Å; F78-Y291 HydrophobicContact CD2-CE1 4.41Å; F78-Y291 HydrophobicContact CD2-CG 4.49Å
79	Y	98.7	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-39.9	-179.4	-63.9	-76.1	0	0	0	111.7	N76 G83 V161 L164 R165 V168 S204 H208	N76-Y79 PolarHBondContact O-N 2.88Å; Y79-G83 PolarHBondContact O-N 3.05Å; Y79-V161 HydrophobicContact CG-CG1 4.46Å; Y79-L164 HydrophobicContact CD1-CB 3.74Å; Y79-L164 HydrophobicContact CG-CB 4.45Å; Y79-L164 VanDerWaalsContact O-CD1 3.29Å; Y79-L164 WeakPolarHBondContact O-CD1 3.34Å; Y79-R165 HydrophobicContact CD1-CG 4.24Å; Y79-R165 HydrophobicContact CD2-CG 3.85Å; Y79-R165 HydrophobicContact CE1-CG 3.99Å; Y79-R165 HydrophobicContact CE2-CG 3.61Å; Y79-R165 VanDerWaalsContact CE2-CZ 3.47Å; Y79-R165 HydrophobicContact CG-CG 4.16Å; Y79-V168 HydrophobicContact CE1-CB 4.35Å; Y79-V168 HydrophobicContact CE1-CG2 3.76Å; Y79-S204 WeakPolarHBondContact CE2-OG 3.08Å; Y79-H208 PolarHBondContact OH-CD2 3.19Å
80	R	98.4	Very high	97	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-65.3	-39.9	176.7	-154.1	-179.2	-53.1	-81.8	6.1	111.4	I35 D74 N76 C77 F78 F84 F151 S157 D158 V161	I35-R80 HydrophobicContact CG2-CG 4.21Å; D74-R80 IonicContact OD1-NH2 3.9Å; D74-R80 IonicContact OD2-CZ 3.19Å; D74-R80 IonicContact OD2-NE 2.69Å; D74-R80 IonicContact OD2-NH2 3.3Å; D74-R80 PolarHBondContact OD2-NH2 2.57Å; N76-R80 WeakPolarHBondContact O-CB 3.46Å; N76-R80 PolarHBondContact O-N 3.43Å; C77-R80 PolarHBondContact O-N 3.29Å; F78-R80 VanDerWaalsContact C-N 3.31Å; F78-R80 PolarHBondContact O-N 3.48Å; R80-F84 WeakPolarHBondContact O-CB 3.46Å; R80-F84 PolarHBondContact O-N 3.32Å; R80-F151 HydrophobicContact CG-CD1 4.01Å; R80-F151 HydrophobicContact CG-CE1 4.39Å; R80-S157 PolarHBondContact NH1-OG 3.16Å; R80-D158 IonicContact CZ-OD1 2.76Å; R80-D158 IonicContact NH1-OD1 3.78Å; R80-D158 PolarHBondContact NH1-OD1 3.29Å; R80-D158 IonicContact NH2-OD1 2.75Å; R80-D158 PolarHBondContact NH2-OD1 2.94Å; R80-V161 HydrophobicContact CB-CG2 4.17Å; R80-V161 HydrophobicContact CG-CG2 4.48Å
81	A	98.6	Very high	97	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-53	176.4	0	0	0	0	0	111.2	L71 C77 F78 F84 A85 L284 I293	L71-A81 VanDerWaalsContact CD2-CA 3.49Å; L71-A81 HydrophobicContact CD2-CB 3.31Å; C77-A81 WeakPolarHBondContact O-CB 3.39Å; C77-A81 PolarHBondContact O-N 2.9Å; F78-A81 WeakPolarHBondContact O-CB 3.37Å; F78-A81 PolarHBondContact O-N 3.25Å; A81-F84 PolarHBondContact O-N 3.45Å; A81-A85 WeakPolarHBondContact O-CB 3.28Å; A81-A85 PolarHBondContact O-N 3.01Å; A81-L284 HydrophobicContact CB-CD1 4.36Å; A81-L284 HydrophobicContact CB-CD2 3.63Å; A81-I293 HydrophobicContact CB-CD1 4.49Å; A81-I293 HydrophobicContact CB-CG1 3.86Å
82	F	98.6	Very high	96.9	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-59.8	-50.7	-179.9	173.6	-89.8	0	0	0	110.9	F78 F84 A85 Y86 L164 L212 V216 L218 I220 V282	F78-F82 PolarHBondContact O-N 2.57Å; F82-F84 PolarHBondContact O-N 3.09Å; F82-A85 PolarHBondContact O-N 3.32Å; F82-Y86 HydrophobicContact CE1-CD1 4.23Å; F82-Y86 AromaticContact CZ-CD1 3.89Å; F82-Y86 HydrophobicContact CZ-CD1 3.89Å; F82-Y86 HydrophobicContact CZ-CG 4.43Å; F82-Y86 VanDerWaalsContact O-CB 3.3Å; F82-Y86 WeakPolarHBondContact O-CB 3.32Å; F82-Y86 PolarHBondContact O-N 3.05Å; F82-L164 HydrophobicContact CD1-CD1 4.2Å; F82-L164 HydrophobicContact CD1-CD2 4.06Å; F82-L164 HydrophobicContact CE1-CD2 4.02Å; F82-L212 HydrophobicContact CB-CD2 3.92Å; F82-L212 HydrophobicContact CD1-CD1 4.43Å; F82-L212 HydrophobicContact CD1-CD2 3.56Å; F82-L212 HydrophobicContact CD1-CG 4.25Å; F82-L212 HydrophobicContact CD2-CD2 3.8Å; F82-L212 HydrophobicContact CD2-CG 4.31Å; F82-L212 HydrophobicContact CE1-CD1 4.14Å; F82-L212 HydrophobicContact CE1-CD2 4.01Å; F82-L212 HydrophobicContact CE1-CG 4.19Å; F82-L212 HydrophobicContact CE2-CD2 4.21Å; F82-L212 HydrophobicContact CE2-CG 4.23Å; F82-L212 HydrophobicContact CG-CD2 3.45Å; F82-L212 VanDerWaalsContact CG-CD2 3.45Å; F82-L212 HydrophobicContact CG-CG 4.31Å; F82-L212 HydrophobicContact CZ-CD1 4.42Å; F82-L212 HydrophobicContact CZ-CD2 4.32Å; F82-L212 HydrophobicContact CZ-CG 4.19Å; F82-V216 HydrophobicContact CE2-CG2 4.05Å; F82-V216 HydrophobicContact CZ-CB 4.33Å; F82-V216 HydrophobicContact CZ-CG1 4.23Å; F82-V216 HydrophobicContact CZ-CG2 3.56Å; F82-L218 HydrophobicContact CE2-CD2 3.86Å; F82-L218 HydrophobicContact CZ-CD2 4.2Å; F82-I220 HydrophobicContact CD2-CD1 3.65Å; F82-I220 HydrophobicContact CD2-CG1 4.26Å; F82-I220 HydrophobicContact CE2-CD1 3.8Å; F82-I220 HydrophobicContact CE2-CG1 4.24Å; F82-V282 HydrophobicContact CD2-CG1 4.36Å; F82-V282 HydrophobicContact CD2-CG2 4.16Å; F82-V282 HydrophobicContact CE2-CG2 4.32Å
83	G	98.4	Very high	96.9	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-56.1	-50.4	-179.4	0	0	0	0	0	111.6	Y79 I87 F151	Y79-G83 PolarHBondContact O-N 3.05Å; G83-I87 WeakPolarHBondContact O-CG1 3.42Å; G83-I87 PolarHBondContact O-N 3.01Å; G83-F151 VanDerWaalsContact C-CZ 3.48Å
84	F	98.7	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-52.9	179.3	-177.3	-90	0	0	0	112	I35 R69 R80 A81 F82 Y86 I87 E88 L144 L147 E148 F151 I293	I35-F84 HydrophobicContact CD1-CB 4.44Å; I35-F84 HydrophobicContact CD1-CD1 4.37Å; I35-F84 HydrophobicContact CD1-CD2 3.12Å; I35-F84 HydrophobicContact CD1-CE1 4.49Å; I35-F84 HydrophobicContact CD1-CE2 3.25Å; I35-F84 HydrophobicContact CD1-CG 3.72Å; I35-F84 HydrophobicContact CD1-CZ 3.97Å; R69-F84 VanDerWaalsContact CD-CE1 3.42Å; R69-F84 VanDerWaalsContact NE-CE1 3.27Å; R80-F84 WeakPolarHBondContact O-CB 3.46Å; R80-F84 PolarHBondContact O-N 3.32Å; A81-F84 PolarHBondContact O-N 3.45Å; F82-F84 PolarHBondContact O-N 3.09Å; F84-Y86 VanDerWaalsContact C-N 3.28Å; F84-Y86 PolarHBondContact O-N 3.43Å; F84-I87 PolarHBondContact O-N 2.82Å; F84-E88 HydrophobicContact CD1-CB 4.47Å; F84-E88 HydrophobicContact CE1-CB 4.19Å; F84-E88 HydrophobicContact CE1-CG 4.47Å; F84-E88 VanDerWaalsContact O-CB 3.27Å; F84-E88 WeakPolarHBondContact O-CB 3.29Å; F84-E88 PolarHBondContact O-N 2.87Å; F84-L144 HydrophobicContact CZ-CD1 4.06Å; F84-L147 HydrophobicContact CD2-CD2 4.22Å; F84-L147 HydrophobicContact CD2-CG 3.99Å; F84-L147 HydrophobicContact CE2-CD2 3.93Å; F84-L147 HydrophobicContact CE2-CG 3.72Å; F84-L147 HydrophobicContact CZ-CD2 4.36Å; F84-E148 HydrophobicContact CE2-CG 3.87Å; F84-E148 HydrophobicContact CZ-CG 3.82Å; F84-F151 HydrophobicContact CB-CD1 3.9Å; F84-F151 HydrophobicContact CB-CE1 3.9Å; F84-F151 HydrophobicContact CB-CG 4.27Å; F84-F151 HydrophobicContact CB-CZ 4.27Å; F84-F151 HydrophobicContact CD2-CB 4.01Å; F84-F151 HydrophobicContact CD2-CD1 4.32Å; F84-F151 AromaticContact CD2-CD2 3.96Å; F84-F151 HydrophobicContact CD2-CD2 3.96Å; F84-F151 AromaticContact CD2-CG 3.85Å; F84-F151 HydrophobicContact CD2-CG 3.85Å; F84-I293 HydrophobicContact CB-CD1 4.25Å; F84-I293 HydrophobicContact CD1-CD1 3.72Å; F84-I293 HydrophobicContact CG-CD1 4.4Å
85	A	98.3	Very high	97	Very high	5 Å²	5	23.9 Å²	23.9	4%	0.041	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-39.9	-174.3	0	0	0	0	0	112	A81 F82 Y89 V282 I293	A81-A85 WeakPolarHBondContact O-CB 3.28Å; A81-A85 PolarHBondContact O-N 3.01Å; F82-A85 PolarHBondContact O-N 3.32Å; A85-Y89 WeakPolarHBondContact O-CB 3.34Å; A85-Y89 PolarHBondContact O-N 3.03Å; A85-V282 HydrophobicContact CB-CG1 4.15Å; A85-V282 HydrophobicContact CB-CG2 4.13Å; A85-I293 HydrophobicContact CB-CD1 4.03Å; A85-I293 HydrophobicContact CB-CG1 4.31Å; A85-I293 HydrophobicContact CB-CG2 4.05Å
86	Y	98.2	Very high	97.2	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-73.3	-41.3	-178.2	-171.1	-147.9	0	0	0	112.2	F82 F84 Y89 L90 E98 R101 F102 L218 P281	F82-Y86 HydrophobicContact CE1-CD1 4.23Å; F82-Y86 AromaticContact CZ-CD1 3.89Å; F82-Y86 HydrophobicContact CZ-CD1 3.89Å; F82-Y86 HydrophobicContact CZ-CG 4.43Å; F82-Y86 VanDerWaalsContact O-CB 3.3Å; F82-Y86 WeakPolarHBondContact O-CB 3.32Å; F82-Y86 PolarHBondContact O-N 3.05Å; F84-Y86 VanDerWaalsContact C-N 3.28Å; F84-Y86 PolarHBondContact O-N 3.43Å; Y86-Y89 HydrophobicContact CD2-CD1 4.2Å; Y86-Y89 HydrophobicContact CE2-CD1 4.19Å; Y86-Y89 WeakPolarHBondContact O-CB 3.31Å; Y86-Y89 PolarHBondContact O-N 3.01Å; Y86-L90 HydrophobicContact CD2-CG 4.28Å; Y86-L90 HydrophobicContact CE1-CD1 4.43Å; Y86-L90 HydrophobicContact CE2-CD1 4.36Å; Y86-L90 HydrophobicContact CE2-CD2 3.95Å; Y86-L90 HydrophobicContact CE2-CG 4.06Å; Y86-L90 WeakPolarHBondContact O-CG 3.21Å; Y86-L90 PolarHBondContact O-N 3.37Å; Y86-E98 PolarHBondContact OH-OE1 3.3Å; Y86-R101 PolarHBondContact OH-NH2 3.29Å; Y86-F102 AromaticContact CD1-CD1 4Å; Y86-F102 HydrophobicContact CD1-CD1 4Å; Y86-F102 AromaticContact CD1-CE1 3.84Å; Y86-F102 HydrophobicContact CD1-CE1 3.84Å; Y86-F102 HydrophobicContact CD1-CG 4.4Å; Y86-F102 HydrophobicContact CD1-CZ 4.13Å; Y86-F102 HydrophobicContact CE1-CB 4.1Å; Y86-F102 AromaticContact CE1-CD1 3.57Å; Y86-F102 HydrophobicContact CE1-CD1 3.57Å; Y86-F102 AromaticContact CE1-CD2 3.9Å; Y86-F102 HydrophobicContact CE1-CD2 3.9Å; Y86-F102 AromaticContact CE1-CE1 3.86Å; Y86-F102 HydrophobicContact CE1-CE1 3.86Å; Y86-F102 HydrophobicContact CE1-CE2 4.2Å; Y86-F102 AromaticContact CE1-CG 3.58Å; Y86-F102 HydrophobicContact CE1-CG 3.58Å; Y86-F102 HydrophobicContact CE1-CZ 4.17Å; Y86-L218 HydrophobicContact CD1-CD2 3.99Å; Y86-L218 HydrophobicContact CD2-CD1 4.3Å; Y86-L218 HydrophobicContact CD2-CD2 3.49Å; Y86-L218 VanDerWaalsContact CD2-CD2 3.49Å; Y86-L218 HydrophobicContact CE1-CD2 4.03Å; Y86-L218 HydrophobicContact CE2-CD1 3.58Å; Y86-L218 HydrophobicContact CE2-CD2 3.57Å; Y86-L218 HydrophobicContact CE2-CG 4.22Å; Y86-L218 HydrophobicContact CG-CD2 3.73Å; Y86-P281 HydrophobicContact CD2-CB 4.2Å; Y86-P281 HydrophobicContact CE2-CB 4.49Å
87	I	98.4	Very high	97.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-67.4	-39	176.3	-58.5	-63.4	0	0	0	110.9	G83 F84 Y89 L90 L91 F102 M133 V134 F137 L147	G83-I87 WeakPolarHBondContact O-CG1 3.42Å; G83-I87 PolarHBondContact O-N 3.01Å; F84-I87 PolarHBondContact O-N 2.82Å; I87-Y89 VanDerWaalsContact C-N 3.3Å; I87-Y89 PolarHBondContact O-N 3.35Å; I87-L90 HydrophobicContact CD1-CD1 4.24Å; I87-L90 PolarHBondContact O-N 2.96Å; I87-L91 VanDerWaalsContact O-CB 3.25Å; I87-L91 WeakPolarHBondContact O-CB 3.11Å; I87-L91 PolarHBondContact O-N 2.88Å; I87-F102 HydrophobicContact CD1-CE1 4.21Å; I87-M133 HydrophobicContact CB-SD 4.33Å; I87-M133 HydrophobicContact CD1-CE 3.74Å; I87-M133 HydrophobicContact CD1-SD 3.92Å; I87-M133 HydrophobicContact CG1-CE 3.88Å; I87-M133 HydrophobicContact CG1-SD 3.67Å; I87-M133 HydrophobicContact CG2-SD 3.92Å; I87-V134 HydrophobicContact CD1-CB 4.45Å; I87-V134 HydrophobicContact CD1-CG1 4.48Å; I87-V134 HydrophobicContact CD1-CG2 3.84Å; I87-F137 HydrophobicContact CG2-CB 3.72Å; I87-F137 HydrophobicContact CG2-CD2 4.06Å; I87-F137 HydrophobicContact CG2-CG 4.14Å; I87-L147 HydrophobicContact CB-CD1 4.23Å; I87-L147 HydrophobicContact CB-CD2 4.31Å; I87-L147 HydrophobicContact CG2-CD1 3.67Å; I87-L147 HydrophobicContact CG2-CD2 4Å
88	E	97.7	Very high	97	Very high	13 Å²	13	37.6 Å²	37.6	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-56.9	-44	171.6	176.1	177.8	-139.2	0	0	111.4	F84 L91 N92 L144 L147 Y295	F84-E88 HydrophobicContact CD1-CB 4.47Å; F84-E88 HydrophobicContact CE1-CB 4.19Å; F84-E88 HydrophobicContact CE1-CG 4.47Å; F84-E88 VanDerWaalsContact O-CB 3.27Å; F84-E88 WeakPolarHBondContact O-CB 3.29Å; F84-E88 PolarHBondContact O-N 2.87Å; E88-L91 PolarHBondContact O-N 3.4Å; E88-N92 WeakPolarHBondContact CG-ND2 3.09Å; E88-N92 VanDerWaalsContact O-CB 3.32Å; E88-N92 WeakPolarHBondContact O-CB 3.42Å; E88-N92 PolarHBondContact O-N 3.3Å; E88-N92 PolarHBondContact O-ND2 3.19Å; E88-L144 HydrophobicContact CB-CD1 4.47Å; E88-L144 HydrophobicContact CG-CD1 3.95Å; E88-L147 HydrophobicContact CB-CD2 4.04Å; E88-Y295 PolarHBondContact OE1-OH 3.29Å; E88-Y295 VanDerWaalsContact OE2-CE1 3.24Å; E88-Y295 WeakPolarHBondContact OE2-CE1 3.32Å; E88-Y295 PolarHBondContact OE2-OH 3.18Å
89	Y	96.6	Very high	97	Very high	60 Å²	60	37.6 Å²	37.6	24%	0.235	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-47.1	176.1	172.8	-99.6	0	0	0	112.3	A85 Y86 I87 G93 L95 P281	A85-Y89 WeakPolarHBondContact O-CB 3.34Å; A85-Y89 PolarHBondContact O-N 3.03Å; Y86-Y89 HydrophobicContact CD2-CD1 4.2Å; Y86-Y89 HydrophobicContact CE2-CD1 4.19Å; Y86-Y89 WeakPolarHBondContact O-CB 3.31Å; Y86-Y89 PolarHBondContact O-N 3.01Å; I87-Y89 VanDerWaalsContact C-N 3.3Å; I87-Y89 PolarHBondContact O-N 3.35Å; Y89-G93 PolarHBondContact O-N 3.32Å; Y89-L95 HydrophobicContact CD1-CD1 3.76Å; Y89-L95 HydrophobicContact CE1-CD1 3.14Å; Y89-L95 HydrophobicContact CE2-CD1 4.36Å; Y89-L95 VanDerWaalsContact CZ-CD1 3.48Å; Y89-P281 HydrophobicContact CD1-CB 3.58Å; Y89-P281 HydrophobicContact CD1-CG 3.89Å; Y89-P281 HydrophobicContact CD2-CB 3.94Å; Y89-P281 HydrophobicContact CD2-CG 4.31Å; Y89-P281 HydrophobicContact CE1-CB 3.81Å; Y89-P281 HydrophobicContact CE1-CG 3.54Å; Y89-P281 HydrophobicContact CE2-CB 4.17Å; Y89-P281 HydrophobicContact CE2-CG 4.02Å; Y89-P281 HydrophobicContact CG-CB 3.64Å; Y89-P281 HydrophobicContact CG-CG 4.25Å
90	L	96.9	Very high	97	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-44.1	178.7	-64.8	176	0	0	0	111.9	Y86 I87 K94 L95 E98 A99 F102 T138	Y86-L90 HydrophobicContact CD2-CG 4.28Å; Y86-L90 HydrophobicContact CE1-CD1 4.43Å; Y86-L90 HydrophobicContact CE2-CD1 4.36Å; Y86-L90 HydrophobicContact CE2-CD2 3.95Å; Y86-L90 HydrophobicContact CE2-CG 4.06Å; Y86-L90 WeakPolarHBondContact O-CG 3.21Å; Y86-L90 PolarHBondContact O-N 3.37Å; I87-L90 HydrophobicContact CD1-CD1 4.24Å; I87-L90 PolarHBondContact O-N 2.96Å; L90-K94 WeakPolarHBondContact O-CA 3.42Å; L90-K94 PolarHBondContact O-N 3.41Å; L90-L95 HydrophobicContact CD2-CB 3.99Å; L90-L95 HydrophobicContact CD2-CD1 4.39Å; L90-L95 PolarHBondContact O-N 3.04Å; L90-E98 HydrophobicContact CD2-CB 3.75Å; L90-E98 HydrophobicContact CD2-CG 3.39Å; L90-A99 HydrophobicContact CD1-CB 4.19Å; L90-F102 HydrophobicContact CD1-CD1 4.34Å; L90-T138 HydrophobicContact CB-CG2 3.7Å; L90-T138 HydrophobicContact CD1-CG2 4.35Å
91	L	96.6	Very high	96.9	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.131	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-55.7	178.3	169.2	60	0	0	0	111.3	I87 E88 G93 K94 F137 G142 L144 L147	I87-L91 VanDerWaalsContact O-CB 3.25Å; I87-L91 WeakPolarHBondContact O-CB 3.11Å; I87-L91 PolarHBondContact O-N 2.88Å; E88-L91 PolarHBondContact O-N 3.4Å; L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 3.06Å; L91-K94 PolarHBondContact O-N 2.74Å; L91-K94 VanDerWaalsContact O-N 3.12Å; L91-F137 WeakPolarHBondContact CB-O 3.47Å; L91-F137 WeakPolarHBondContact CD1-O 3.35Å; L91-F137 HydrophobicContact CD2-CD1 4.39Å; L91-G142 WeakPolarHBondContact CD1-O 2.99Å; L91-L144 HydrophobicContact CD2-CB 4.31Å; L91-L147 HydrophobicContact CD2-CD2 4.41Å
92	N	94.4	Very high	96.9	Very high	101 Å²	101	41.6 Å²	41.6	54%	0.54	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-37.8	-176	-74.8	-30.2	0	0	0	112.2	E88 K94	E88-N92 WeakPolarHBondContact CG-ND2 3.09Å; E88-N92 VanDerWaalsContact O-CB 3.32Å; E88-N92 WeakPolarHBondContact O-CB 3.42Å; E88-N92 PolarHBondContact O-N 3.3Å; E88-N92 PolarHBondContact O-ND2 3.19Å; N92-K94 VanDerWaalsContact C-N 3.32Å
93	G	93.8	Very high	96.9	Very high	43 Å²	43	43.7 Å²	43.7	44%	0.443	22%	0.223	S	C	.	.	H	α-helix	trans	-81.6	-7.1	177.3	0	0	0	0	0	114.5	Y89 L91 L95	Y89-G93 PolarHBondContact O-N 3.32Å; L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 3.06Å; G93-L95 WeakPolarHBondContact O-CD2 3.03Å; G93-L95 PolarHBondContact O-N 2.95Å
94	K	94.7	Very high	96.9	Very high	172 Å²	172	49.4 Å²	49.4	75%	0.748	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.4	-171.9	-57.8	179.7	179.8	-179.8	0	112.2	L90 L91 N92 I96	L90-K94 WeakPolarHBondContact O-CA 3.42Å; L90-K94 PolarHBondContact O-N 3.41Å; L91-K94 PolarHBondContact O-N 2.74Å; L91-K94 VanDerWaalsContact O-N 3.12Å; N92-K94 VanDerWaalsContact C-N 3.32Å; K94-I96 VanDerWaalsContact C-N 3.28Å; K94-I96 PolarHBondContact O-N 3.24Å
95	L	94.9	Very high	96.8	Very high	51 Å²	51	50.7 Å²	50.7	27%	0.267	25%	0.253	S	S	.	.			trans	-85.7	61	-168.2	-58.5	176.4	0	0	0	112.2	Y89 L90 G93 K97 E98 A99	Y89-L95 HydrophobicContact CD1-CD1 3.76Å; Y89-L95 HydrophobicContact CE1-CD1 3.14Å; Y89-L95 HydrophobicContact CE2-CD1 4.36Å; Y89-L95 VanDerWaalsContact CZ-CD1 3.48Å; L90-L95 HydrophobicContact CD2-CB 3.99Å; L90-L95 HydrophobicContact CD2-CD1 4.39Å; L90-L95 PolarHBondContact O-N 3.04Å; G93-L95 WeakPolarHBondContact O-CD2 3.03Å; G93-L95 PolarHBondContact O-N 2.95Å; L95-K97 VanDerWaalsContact C-N 3.27Å; L95-K97 PolarHBondContact O-N 2.61Å; L95-E98 HydrophobicContact CB-CB 3.81Å; L95-E98 WeakPolarHBondContact O-CB 3.42Å; L95-E98 PolarHBondContact O-N 2.9Å; L95-A99 PolarHBondContact O-N 2.7Å
96	I	96.1	Very high	96.8	Very high	101 Å²	101	50.4 Å²	50.4	52%	0.518	25%	0.251	S	S	.	.	H	α-helix	trans	-56.1	-39.4	-174.9	-63.4	165	0	0	0	112.6	K94 A99 G100 T138	K94-I96 VanDerWaalsContact C-N 3.28Å; K94-I96 PolarHBondContact O-N 3.24Å; I96-A99 PolarHBondContact O-N 3.01Å; I96-G100 PolarHBondContact O-N 3.11Å; I96-T138 WeakPolarHBondContact CG1-O 3.23Å
97	K	96.1	Very high	96.8	Very high	197 Å²	197	53.3 Å²	53.3	86%	0.857	27%	0.267	S	S	*	.	H	α-helix	trans	-65.4	-40.8	178	-68.8	-174.2	178	-176.7	0	112.2	L95 G100 R101	L95-K97 VanDerWaalsContact C-N 3.27Å; L95-K97 PolarHBondContact O-N 2.61Å; K97-G100 PolarHBondContact O-N 3.23Å; K97-R101 PolarHBondContact O-N 3.46Å
98	E	95.8	Very high	96.8	Very high	16 Å²	16	56.4 Å²	56.4	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-41.7	178	-177.1	70	172.3	0	0	110.8	Y86 L90 L95 G100 R101 F102 F269	Y86-E98 PolarHBondContact OH-OE1 3.3Å; L90-E98 HydrophobicContact CD2-CB 3.75Å; L90-E98 HydrophobicContact CD2-CG 3.39Å; L95-E98 HydrophobicContact CB-CB 3.81Å; L95-E98 WeakPolarHBondContact O-CB 3.42Å; L95-E98 PolarHBondContact O-N 2.9Å; E98-G100 VanDerWaalsContact C-N 3.3Å; E98-G100 PolarHBondContact O-N 3.25Å; E98-R101 WeakPolarHBondContact O-CB 3.38Å; E98-R101 PolarHBondContact O-N 3.28Å; E98-R101 VanDerWaalsContact O-N 3.11Å; E98-R101 IonicContact OE1-CZ 2.72Å; E98-R101 IonicContact OE1-NH1 2.95Å; E98-R101 PolarHBondContact OE1-NH1 2.9Å; E98-R101 IonicContact OE1-NH2 2.77Å; E98-R101 PolarHBondContact OE1-NH2 3.02Å; E98-R101 IonicContact OE2-CZ 3.09Å; E98-R101 IonicContact OE2-NE 2.74Å; E98-R101 IonicContact OE2-NH1 3.33Å; E98-R101 PolarHBondContact OE2-NH1 3.45Å; E98-R101 IonicContact OE2-NH2 2.79Å; E98-F102 PolarHBondContact O-N 3.35Å; E98-F269 HydrophobicContact CG-CE2 4.39Å; E98-F269 WeakPolarHBondContact OE1-CE2 3.34Å; E98-F269 VanDerWaalsContact OE1-CZ 3.25Å; E98-F269 WeakPolarHBondContact OE1-CZ 2.83Å
99	A	97.4	Very high	96.7	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-43.3	172.1	0	0	0	0	0	111.4	L90 L95 I96 R101 F102 K103 V134 T138	L90-A99 HydrophobicContact CD1-CB 4.19Å; L95-A99 PolarHBondContact O-N 2.7Å; I96-A99 PolarHBondContact O-N 3.01Å; A99-R101 PolarHBondContact O-N 2.92Å; A99-F102 PolarHBondContact O-N 2.79Å; A99-K103 WeakPolarHBondContact O-CG 3.41Å; A99-K103 PolarHBondContact O-N 3.03Å; A99-V134 HydrophobicContact CB-CG1 4.05Å; A99-T138 HydrophobicContact CB-CG2 3.76Å
100	G	98	Very high	96.8	Very high	35 Å²	35	55.2 Å²	55.2	36%	0.361	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-41.2	173.3	0	0	0	0	0	113.5	I96 K97 E98 K104	I96-G100 PolarHBondContact O-N 3.11Å; K97-G100 PolarHBondContact O-N 3.23Å; E98-G100 VanDerWaalsContact C-N 3.3Å; E98-G100 PolarHBondContact O-N 3.25Å; G100-K104 PolarHBondContact O-N 3.21Å
101	R	97.6	Very high	96.8	Very high	49 Å²	49	59.6 Å²	59.6	19%	0.185	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-45.9	173.5	-170.9	-154.1	70.5	-146.7	0.7	111.2	Y86 K97 E98 A99 K104 K105 V216	Y86-R101 PolarHBondContact OH-NH2 3.29Å; K97-R101 PolarHBondContact O-N 3.46Å; E98-R101 WeakPolarHBondContact O-CB 3.38Å; E98-R101 PolarHBondContact O-N 3.28Å; E98-R101 VanDerWaalsContact O-N 3.11Å; E98-R101 IonicContact OE1-CZ 2.72Å; E98-R101 IonicContact OE1-NH1 2.95Å; E98-R101 PolarHBondContact OE1-NH1 2.9Å; E98-R101 IonicContact OE1-NH2 2.77Å; E98-R101 PolarHBondContact OE1-NH2 3.02Å; E98-R101 IonicContact OE2-CZ 3.09Å; E98-R101 IonicContact OE2-NE 2.74Å; E98-R101 IonicContact OE2-NH1 3.33Å; E98-R101 PolarHBondContact OE2-NH1 3.45Å; E98-R101 IonicContact OE2-NH2 2.79Å; A99-R101 PolarHBondContact O-N 2.92Å; R101-K104 WeakPolarHBondContact O-CB 3.38Å; R101-K104 PolarHBondContact O-N 2.99Å; R101-K105 PolarHBondContact O-N 3.37Å; R101-V216 PolarHBondContact NH2-O 3.08Å
102	F	97.9	Very high	96.8	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-45.4	-179.3	179.8	-144.3	0	0	0	111.8	Y86 I87 L90 E98 A99 K104 K105 C106 F130 V134 V216	Y86-F102 AromaticContact CD1-CD1 4Å; Y86-F102 HydrophobicContact CD1-CD1 4Å; Y86-F102 AromaticContact CD1-CE1 3.84Å; Y86-F102 HydrophobicContact CD1-CE1 3.84Å; Y86-F102 HydrophobicContact CD1-CG 4.4Å; Y86-F102 HydrophobicContact CD1-CZ 4.13Å; Y86-F102 HydrophobicContact CE1-CB 4.1Å; Y86-F102 AromaticContact CE1-CD1 3.57Å; Y86-F102 HydrophobicContact CE1-CD1 3.57Å; Y86-F102 AromaticContact CE1-CD2 3.9Å; Y86-F102 HydrophobicContact CE1-CD2 3.9Å; Y86-F102 AromaticContact CE1-CE1 3.86Å; Y86-F102 HydrophobicContact CE1-CE1 3.86Å; Y86-F102 HydrophobicContact CE1-CE2 4.2Å; Y86-F102 AromaticContact CE1-CG 3.58Å; Y86-F102 HydrophobicContact CE1-CG 3.58Å; Y86-F102 HydrophobicContact CE1-CZ 4.17Å; I87-F102 HydrophobicContact CD1-CE1 4.21Å; L90-F102 HydrophobicContact CD1-CD1 4.34Å; E98-F102 PolarHBondContact O-N 3.35Å; A99-F102 PolarHBondContact O-N 2.79Å; F102-K104 VanDerWaalsContact C-N 3.27Å; F102-K104 PolarHBondContact O-N 3.02Å; F102-K105 WeakPolarHBondContact O-CA 3.25Å; F102-K105 WeakPolarHBondContact O-CB 3.49Å; F102-K105 PolarHBondContact O-N 3.36Å; F102-C106 PolarHBondContact O-N 2.69Å; F102-C106 VanDerWaalsContact O-N 3.11Å; F102-C106 PolarHBondContact O-SG 3.11Å; F102-F130 AromaticContact CE1-CE1 3.65Å; F102-F130 HydrophobicContact CE1-CE1 3.65Å; F102-F130 HydrophobicContact CE1-CZ 4.09Å; F102-F130 AromaticContact CZ-CE1 3.54Å; F102-F130 HydrophobicContact CZ-CE1 3.54Å; F102-F130 AromaticContact CZ-CZ 3.87Å; F102-F130 HydrophobicContact CZ-CZ 3.87Å; F102-V134 HydrophobicContact CD1-CG2 4.18Å; F102-V134 HydrophobicContact CE1-CG2 4.13Å; F102-V216 HydrophobicContact CD2-CB 4.18Å; F102-V216 HydrophobicContact CD2-CG1 4.14Å; F102-V216 HydrophobicContact CE2-CB 4.04Å; F102-V216 HydrophobicContact CE2-CG1 3.55Å
103	K	98.3	Very high	96.9	Very high	44 Å²	44	54.8 Å²	54.8	19%	0.191	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-39	175.2	-70.6	-171.2	-60.1	177.4	0	112.8	A99 K105 C106 D107 V131 V134 D135	A99-K103 WeakPolarHBondContact O-CG 3.41Å; A99-K103 PolarHBondContact O-N 3.03Å; K103-K105 PolarHBondContact O-N 2.89Å; K103-C106 CarbonylContact O-C 3.21Å; K103-C106 WeakPolarHBondContact O-CA 3.41Å; K103-C106 VanDerWaalsContact O-CB 3.27Å; K103-C106 WeakPolarHBondContact O-CB 3.17Å; K103-C106 PolarHBondContact O-N 3.36Å; K103-D107 PolarHBondContact O-N 3.45Å; K103-V131 HydrophobicContact CD-CG1 3.72Å; K103-V131 HydrophobicContact CG-CG1 4.24Å; K103-V131 HydrophobicContact CG-CG2 4.45Å; K103-V134 HydrophobicContact CD-CB 4.36Å; K103-V134 HydrophobicContact CD-CG1 4.24Å; K103-V134 HydrophobicContact CG-CB 4.18Å; K103-V134 HydrophobicContact CG-CG1 3.95Å; K103-D135 IonicContact NZ-OD1 3.33Å; K103-D135 PolarHBondContact NZ-OD1 3.41Å; K103-D135 IonicContact NZ-OD2 3.97Å; K103-D135 PolarHBondContact NZ-OD2 3.33Å
104	K	98.1	Very high	97	Very high	122 Å²	122	55 Å²	55	53%	0.53	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-34.1	174.1	-171.3	-179.6	175.5	179.6	0	112.5	G100 R101 F102 D107 E108	G100-K104 PolarHBondContact O-N 3.21Å; R101-K104 WeakPolarHBondContact O-CB 3.38Å; R101-K104 PolarHBondContact O-N 2.99Å; F102-K104 VanDerWaalsContact C-N 3.27Å; F102-K104 PolarHBondContact O-N 3.02Å; K104-D107 PolarHBondContact O-N 3.21Å; K104-E108 WeakPolarHBondContact CE-OE1 3.32Å; K104-E108 WeakPolarHBondContact O-CG 3.41Å; K104-E108 PolarHBondContact O-N 3.21Å
105	K	97.8	Very high	97	Very high	26 Å²	26	50.9 Å²	50.9	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-35.5	172.8	-61.9	-54.9	-171.5	170.8	0	112.5	R101 F102 K103 D107 E108 C109 E217	R101-K105 PolarHBondContact O-N 3.37Å; F102-K105 WeakPolarHBondContact O-CA 3.25Å; F102-K105 WeakPolarHBondContact O-CB 3.49Å; F102-K105 PolarHBondContact O-N 3.36Å; K103-K105 PolarHBondContact O-N 2.89Å; K105-D107 VanDerWaalsContact C-N 3.34Å; K105-E108 WeakPolarHBondContact CD-OE2 3.42Å; K105-E108 IonicContact NZ-OE2 3.95Å; K105-E108 PolarHBondContact NZ-OE2 2.87Å; K105-E108 VanDerWaalsContact NZ-OE2 3.09Å; K105-E108 PolarHBondContact O-N 2.8Å; K105-C109 WeakPolarHBondContact O-CB 3.27Å; K105-C109 PolarHBondContact O-N 3.32Å; K105-E217 WeakPolarHBondContact CE-OE1 3.47Å; K105-E217 WeakPolarHBondContact CE-OE2 3.18Å; K105-E217 VanDerWaalsContact NZ-CD 3.33Å; K105-E217 IonicContact NZ-OE1 3.79Å; K105-E217 PolarHBondContact NZ-OE1 3.09Å; K105-E217 IonicContact NZ-OE2 3.6Å
106	C	98.3	Very high	97	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-40.6	170.8	-55.6	0	0	0	0	111.5	F102 K103 C109 K110 H127 V131 F163	F102-C106 PolarHBondContact O-N 2.69Å; F102-C106 VanDerWaalsContact O-N 3.11Å; F102-C106 PolarHBondContact O-SG 3.11Å; K103-C106 CarbonylContact O-C 3.21Å; K103-C106 WeakPolarHBondContact O-CA 3.41Å; K103-C106 VanDerWaalsContact O-CB 3.27Å; K103-C106 WeakPolarHBondContact O-CB 3.17Å; K103-C106 PolarHBondContact O-N 3.36Å; C106-C109 WeakPolarHBondContact O-CB 3.41Å; C106-C109 PolarHBondContact O-N 3.26Å; C106-K110 PolarHBondContact O-N 2.75Å; C106-H127 PolarHBondContact O-CD2 3.34Å; C106-V131 HydrophobicContact CB-CG2 3.95Å; C106-F163 HydrophobicContact CB-CE1 3.78Å; C106-F163 HydrophobicContact CB-CZ 3.77Å
107	D	98.1	Very high	96.9	Very high	61 Å²	61	50.4 Å²	50.4	33%	0.326	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-48.7	175.2	-59	-28.7	0	0	0	111.5	K103 K104 K105 C109 K110 D111 H127	K103-D107 PolarHBondContact O-N 3.45Å; K104-D107 PolarHBondContact O-N 3.21Å; K105-D107 VanDerWaalsContact C-N 3.34Å; D107-C109 VanDerWaalsContact C-N 3.26Å; D107-C109 PolarHBondContact O-N 2.92Å; D107-K110 PolarHBondContact O-N 2.96Å; D107-D111 PolarHBondContact O-N 3.25Å; D107-H127 IonicContact OD1-CD2 2.7Å; D107-H127 IonicContact OD1-CE1 2.61Å; D107-H127 PolarHBondContact OD1-CE1 3.44Å; D107-H127 IonicContact OD1-NE2 3.9Å; D107-H127 PolarHBondContact OD1-NE2 2.89Å
108	E	96.7	Very high	96.9	Very high	66 Å²	66	43.5 Å²	43.5	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-58.4	-37.8	176.4	-72.9	171.1	-164.8	0	0	111.9	K104 K105 T112	K104-E108 WeakPolarHBondContact CE-OE1 3.32Å; K104-E108 WeakPolarHBondContact O-CG 3.41Å; K104-E108 PolarHBondContact O-N 3.21Å; K105-E108 WeakPolarHBondContact CD-OE2 3.42Å; K105-E108 IonicContact NZ-OE2 3.95Å; K105-E108 PolarHBondContact NZ-OE2 2.87Å; K105-E108 VanDerWaalsContact NZ-OE2 3.09Å; K105-E108 PolarHBondContact O-N 2.8Å; E108-T112 WeakPolarHBondContact O-CB 3.11Å; E108-T112 PolarHBondContact O-N 2.81Å; E108-T112 VanDerWaalsContact O-N 3.13Å; E108-T112 PolarHBondContact O-OG1 3.24Å
109	C	96.9	Very high	96.9	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-53.6	173.4	163.6	0	0	0	0	111.5	K105 C106 D107 D111 T112 L113 L167	K105-C109 WeakPolarHBondContact O-CB 3.27Å; K105-C109 PolarHBondContact O-N 3.32Å; C106-C109 WeakPolarHBondContact O-CB 3.41Å; C106-C109 PolarHBondContact O-N 3.26Å; D107-C109 VanDerWaalsContact C-N 3.26Å; D107-C109 PolarHBondContact O-N 2.92Å; C109-D111 VanDerWaalsContact C-N 3.31Å; C109-D111 PolarHBondContact O-N 3.47Å; C109-T112 WeakPolarHBondContact O-CB 3.47Å; C109-T112 PolarHBondContact O-N 2.79Å; C109-T112 VanDerWaalsContact O-N 3.09Å; C109-L113 WeakPolarHBondContact O-CG 3.15Å; C109-L113 PolarHBondContact O-N 3.04Å; C109-L167 HydrophobicContact CB-CB 4.43Å; C109-L167 HydrophobicContact CB-CD1 4.33Å; C109-L167 HydrophobicContact CB-CG 4.11Å; C109-L167 WeakPolarHBondContact SG-CA 3.38Å
110	K	97.8	Very high	96.8	Very high	41 Å²	41	51.4 Å²	51.4	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-54	-49.1	179.6	178.2	-163	67.7	175.1	0	111.1	C106 D107 T112 L113 I114 V123 E124 H127	C106-K110 PolarHBondContact O-N 2.75Å; D107-K110 PolarHBondContact O-N 2.96Å; K110-T112 VanDerWaalsContact C-N 3.28Å; K110-T112 PolarHBondContact O-N 2.85Å; K110-L113 PolarHBondContact O-N 2.91Å; K110-I114 HydrophobicContact CD-CD1 4.5Å; K110-I114 HydrophobicContact CG-CD1 3.99Å; K110-I114 WeakPolarHBondContact O-CG1 3.42Å; K110-I114 PolarHBondContact O-N 3.19Å; K110-V123 HydrophobicContact CB-CG1 4.32Å; K110-V123 HydrophobicContact CG-CG1 3.9Å; K110-E124 HydrophobicContact CD-CG 4.04Å; K110-H127 HydrophobicContact CB-CB 4.32Å; K110-H127 HydrophobicContact CD-CB 4.15Å; K110-H127 HydrophobicContact CG-CB 4.27Å
111	D	96.9	Very high	96.7	Very high	92 Å²	92	56.9 Å²	56.9	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-37.7	-179.3	-66.3	-12.5	0	0	0	111.6	D107 C109 A115	D107-D111 PolarHBondContact O-N 3.25Å; C109-D111 VanDerWaalsContact C-N 3.31Å; C109-D111 PolarHBondContact O-N 3.47Å; D111-A115 WeakPolarHBondContact O-CB 3.42Å; D111-A115 PolarHBondContact O-N 2.82Å
112	T	96.1	Very high	96.6	Very high	25 Å²	25	57 Å²	57	15%	0.153	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-44.2	176.6	-57.8	0	0	0	0	111.5	E108 C109 K110 A115 N116 A170 K174	E108-T112 WeakPolarHBondContact O-CB 3.11Å; E108-T112 PolarHBondContact O-N 2.81Å; E108-T112 VanDerWaalsContact O-N 3.13Å; E108-T112 PolarHBondContact O-OG1 3.24Å; C109-T112 WeakPolarHBondContact O-CB 3.47Å; C109-T112 PolarHBondContact O-N 2.79Å; C109-T112 VanDerWaalsContact O-N 3.09Å; K110-T112 VanDerWaalsContact C-N 3.28Å; K110-T112 PolarHBondContact O-N 2.85Å; T112-A115 PolarHBondContact O-N 3.41Å; T112-N116 PolarHBondContact O-N 3.21Å; T112-A170 HydrophobicContact CG2-CB 4.23Å; T112-K174 HydrophobicContact CG2-CB 4.3Å
113	L	96.8	Very high	96.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-45.2	178.4	-69.6	165.6	0	0	0	111.4	C109 K110 A115 N116 G117 Y118 V123 L166 A170	C109-L113 WeakPolarHBondContact O-CG 3.15Å; C109-L113 PolarHBondContact O-N 3.04Å; K110-L113 PolarHBondContact O-N 2.91Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 3.49Å; L113-N116 CarbonylContact O-C 3.5Å; L113-N116 PolarHBondContact O-N 3.04Å; L113-N116 VanDerWaalsContact O-N 3.13Å; L113-G117 PolarHBondContact O-N 3.3Å; L113-Y118 HydrophobicContact CB-CD2 4.24Å; L113-Y118 HydrophobicContact CB-CG 4.12Å; L113-Y118 HydrophobicContact CD2-CD1 4.09Å; L113-Y118 HydrophobicContact CD2-CD2 3.99Å; L113-Y118 HydrophobicContact CD2-CE1 4.04Å; L113-Y118 HydrophobicContact CD2-CE2 3.94Å; L113-Y118 HydrophobicContact CD2-CG 4.08Å; L113-Y118 WeakPolarHBondContact O-CB 3.41Å; L113-Y118 WeakPolarHBondContact O-CD2 3.38Å; L113-Y118 PolarHBondContact O-N 3.44Å; L113-V123 HydrophobicContact CB-CG1 3.95Å; L113-V123 HydrophobicContact CB-CG2 4.16Å; L113-V123 HydrophobicContact CD1-CG1 3.65Å; L113-V123 HydrophobicContact CD1-CG2 4.48Å; L113-V123 HydrophobicContact CG-CG1 4.47Å; L113-L166 HydrophobicContact CD1-CB 3.84Å; L113-A170 HydrophobicContact CD1-CB 4.46Å; L113-A170 HydrophobicContact CD2-CB 3.83Å; L113-A170 HydrophobicContact CG-CB 3.83Å
114	I	96.8	Very high	96.5	Very high	48 Å²	48	57.7 Å²	57.7	25%	0.246	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-43.8	177	-65.5	167.2	0	0	0	110.5	K110 N116 G117 Q120	K110-I114 HydrophobicContact CD-CD1 4.5Å; K110-I114 HydrophobicContact CG-CD1 3.99Å; K110-I114 WeakPolarHBondContact O-CG1 3.42Å; K110-I114 PolarHBondContact O-N 3.19Å; I114-N116 PolarHBondContact O-N 3.37Å; I114-G117 PolarHBondContact O-N 2.94Å; I114-Q120 HydrophobicContact CD1-CB 4.42Å; I114-Q120 HydrophobicContact CD1-CG 3.88Å; I114-Q120 HydrophobicContact CG1-CB 4.31Å; I114-Q120 HydrophobicContact CG1-CG 4.31Å
115	A	95.5	Very high	96.5	Very high	85 Å²	85	54.8 Å²	54.8	70%	0.702	31%	0.305	S	S	*	.	H	α-helix	trans	-62.6	-30.6	177.1	0	0	0	0	0	112.9	D111 T112 L113 G117	D111-A115 WeakPolarHBondContact O-CB 3.42Å; D111-A115 PolarHBondContact O-N 2.82Å; T112-A115 PolarHBondContact O-N 3.41Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 3.49Å; A115-G117 PolarHBondContact O-N 3.27Å
116	N	93	Very high	96.4	Very high	76 Å²	76	55 Å²	55	41%	0.406	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5.3	175.3	-70.7	-1	0	0	0	113.6	T112 L113 I114 Y118 Q173	T112-N116 PolarHBondContact O-N 3.21Å; L113-N116 CarbonylContact O-C 3.5Å; L113-N116 PolarHBondContact O-N 3.04Å; L113-N116 VanDerWaalsContact O-N 3.13Å; I114-N116 PolarHBondContact O-N 3.37Å; N116-Y118 HydrophobicContact CB-CD2 4.13Å; N116-Y118 HydrophobicContact CB-CE2 4.16Å; N116-Q173 PolarHBondContact ND2-OE1 3.44Å
117	G	94.9	Very high	96.4	Very high	66 Å²	66	55.7 Å²	55.7	68%	0.68	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	11.8	173.8	0	0	0	0	0	115.1	L113 I114 A115	L113-G117 PolarHBondContact O-N 3.3Å; I114-G117 PolarHBondContact O-N 2.94Å; A115-G117 PolarHBondContact O-N 3.27Å
118	Y	95.5	Very high	96.4	Very high	53 Å²	53	58.5 Å²	58.5	21%	0.208	32%	0.321	C	S	.	.			trans	-68	148	172.6	-71.7	-113.8	0	0	0	110.1	L113 N116 Q120 V123 L166 Q173 E198	L113-Y118 HydrophobicContact CB-CD2 4.24Å; L113-Y118 HydrophobicContact CB-CG 4.12Å; L113-Y118 HydrophobicContact CD2-CD1 4.09Å; L113-Y118 HydrophobicContact CD2-CD2 3.99Å; L113-Y118 HydrophobicContact CD2-CE1 4.04Å; L113-Y118 HydrophobicContact CD2-CE2 3.94Å; L113-Y118 HydrophobicContact CD2-CG 4.08Å; L113-Y118 WeakPolarHBondContact O-CB 3.41Å; L113-Y118 WeakPolarHBondContact O-CD2 3.38Å; L113-Y118 PolarHBondContact O-N 3.44Å; N116-Y118 HydrophobicContact CB-CD2 4.13Å; N116-Y118 HydrophobicContact CB-CE2 4.16Å; Y118-Q120 PolarHBondContact O-N 3.09Å; Y118-V123 HydrophobicContact CG-CG2 4.48Å; Y118-L166 HydrophobicContact CD1-CD2 4.47Å; Y118-L166 HydrophobicContact CE1-CD2 4.15Å; Y118-Q173 PolarHBondContact OH-NE2 3.36Å; Y118-E198 PolarHBondContact OH-OE1 2.73Å
119	T	96	Very high	96.5	Very high	78 Å²	78	59.1 Å²	59.1	48%	0.479	32%	0.324	S	S	.	.			trans	-61.9	109.6	-179.6	-55.8	0	0	0	0	111.1	F121 T122 V123	T119-F121 HydrophobicContact CG2-CD1 3.31Å; T119-F121 HydrophobicContact CG2-CE1 3.14Å; T119-F121 HydrophobicContact CG2-CG 4.25Å; T119-F121 HydrophobicContact CG2-CZ 3.96Å; T119-F121 PolarHBondContact O-N 3.39Å; T119-T122 WeakPolarHBondContact O-CB 3.18Å; T119-T122 PolarHBondContact O-N 3.31Å; T119-V123 PolarHBondContact O-N 3.43Å; T119-V123 VanDerWaalsContact O-N 3.12Å
120	Q	95.7	Very high	96.6	Very high	105 Å²	105	58.9 Å²	58.9	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-50.5	-52.7	-172.5	175.8	173.2	-3.6	0	0	113.4	I114 Y118 T122 V123 E124	I114-Q120 HydrophobicContact CD1-CB 4.42Å; I114-Q120 HydrophobicContact CD1-CG 3.88Å; I114-Q120 HydrophobicContact CG1-CB 4.31Å; I114-Q120 HydrophobicContact CG1-CG 4.31Å; Y118-Q120 PolarHBondContact O-N 3.09Å; Q120-T122 PolarHBondContact O-N 2.87Å; Q120-V123 PolarHBondContact O-N 3.46Å; Q120-E124 VanDerWaalsContact CG-CD 3.48Å; Q120-E124 HydrophobicContact CG-CG 4.18Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.4Å; Q120-E124 PolarHBondContact NE2-OE1 2.93Å; Q120-E124 WeakPolarHBondContact O-CB 3.41Å; Q120-E124 WeakPolarHBondContact O-CG 3.15Å; Q120-E124 PolarHBondContact O-N 3.2Å
121	F	96.1	Very high	96.6	Very high	150 Å²	150	58 Å²	58	66%	0.658	32%	0.32	S	S	*	.	H	α-helix	trans	-60.4	-33.7	-176.8	82	-99.7	0	0	0	112.5	T119 D125	T119-F121 HydrophobicContact CG2-CD1 3.31Å; T119-F121 HydrophobicContact CG2-CE1 3.14Å; T119-F121 HydrophobicContact CG2-CG 4.25Å; T119-F121 HydrophobicContact CG2-CZ 3.96Å; T119-F121 PolarHBondContact O-N 3.39Å; F121-D125 PolarHBondContact O-N 3.29Å
122	T	95.3	Very high	96.7	Very high	50 Å²	50	55.4 Å²	55.4	31%	0.307	31%	0.314	S	S	.	.	H	α-helix	trans	-72.7	-45.1	-179	-51.1	0	0	0	0	110.3	T119 Q120 D125 F126	T119-T122 WeakPolarHBondContact O-CB 3.18Å; T119-T122 PolarHBondContact O-N 3.31Å; Q120-T122 PolarHBondContact O-N 2.87Å; T122-D125 PolarHBondContact O-N 2.93Å; T122-F126 HydrophobicContact CG2-CD2 4.12Å; T122-F126 HydrophobicContact CG2-CE2 3.74Å; T122-F126 WeakPolarHBondContact O-CD2 3.4Å; T122-F126 PolarHBondContact O-N 3.18Å
123	V	96	Very high	96.8	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-41.8	178.4	-177.8	0	0	0	0	110.9	K110 L113 Y118 T119 Q120 D125 F126 H127	K110-V123 HydrophobicContact CB-CG1 4.32Å; K110-V123 HydrophobicContact CG-CG1 3.9Å; L113-V123 HydrophobicContact CB-CG1 3.95Å; L113-V123 HydrophobicContact CB-CG2 4.16Å; L113-V123 HydrophobicContact CD1-CG1 3.65Å; L113-V123 HydrophobicContact CD1-CG2 4.48Å; L113-V123 HydrophobicContact CG-CG1 4.47Å; Y118-V123 HydrophobicContact CG-CG2 4.48Å; T119-V123 PolarHBondContact O-N 3.43Å; T119-V123 VanDerWaalsContact O-N 3.12Å; Q120-V123 PolarHBondContact O-N 3.46Å; V123-D125 VanDerWaalsContact C-N 3.33Å; V123-D125 PolarHBondContact O-N 3.22Å; V123-F126 PolarHBondContact O-N 3.12Å; V123-H127 VanDerWaalsContact O-CB 3.26Å; V123-H127 WeakPolarHBondContact O-CB 3.21Å; V123-H127 PolarHBondContact O-N 3.2Å
124	E	97.8	Very high	96.9	Very high	56 Å²	56	54.4 Å²	54.4	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-58.7	-43.4	176.7	-79.4	174.4	166.6	0	0	111.6	K110 Q120 H127 E128	K110-E124 HydrophobicContact CD-CG 4.04Å; Q120-E124 VanDerWaalsContact CG-CD 3.48Å; Q120-E124 HydrophobicContact CG-CG 4.18Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.4Å; Q120-E124 PolarHBondContact NE2-OE1 2.93Å; Q120-E124 WeakPolarHBondContact O-CB 3.41Å; Q120-E124 WeakPolarHBondContact O-CG 3.15Å; Q120-E124 PolarHBondContact O-N 3.2Å; E124-H127 PolarHBondContact O-N 2.91Å; E124-E128 WeakPolarHBondContact O-CB 3.4Å; E124-E128 VanDerWaalsContact O-CG 3.27Å; E124-E128 WeakPolarHBondContact O-CG 3.37Å; E124-E128 PolarHBondContact O-N 3.04Å
125	D	98	Very high	97	Very high	62 Å²	62	53.9 Å²	53.9	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-45.9	179.1	-175.4	57.4	0	0	0	112.7	F121 T122 V123 H127 E128 Q129 Y159	F121-D125 PolarHBondContact O-N 3.29Å; T122-D125 PolarHBondContact O-N 2.93Å; V123-D125 VanDerWaalsContact C-N 3.33Å; V123-D125 PolarHBondContact O-N 3.22Å; D125-H127 VanDerWaalsContact C-N 3.31Å; D125-H127 PolarHBondContact O-N 2.94Å; D125-E128 PolarHBondContact O-N 2.6Å; D125-Q129 VanDerWaalsContact O-CG 3.28Å; D125-Q129 WeakPolarHBondContact O-CG 3.46Å; D125-Q129 PolarHBondContact O-N 3.47Å; D125-Y159 PolarHBondContact OD2-OH 2.71Å
126	F	97.2	Very high	97.1	Very high	31 Å²	31	54.7 Å²	54.7	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-41	173.8	-74.2	-64	0	0	0	112.4	T122 V123 F130 Y159 V162 F163 L166	T122-F126 HydrophobicContact CG2-CD2 4.12Å; T122-F126 HydrophobicContact CG2-CE2 3.74Å; T122-F126 WeakPolarHBondContact O-CD2 3.4Å; T122-F126 PolarHBondContact O-N 3.18Å; V123-F126 PolarHBondContact O-N 3.12Å; F126-F130 WeakPolarHBondContact O-CB 3.47Å; F126-F130 PolarHBondContact O-N 2.81Å; F126-Y159 HydrophobicContact CB-CE1 4.47Å; F126-Y159 AromaticContact CD1-CD1 3.47Å; F126-Y159 HydrophobicContact CD1-CD1 3.47Å; F126-Y159 VanDerWaalsContact CD1-CD1 3.47Å; F126-Y159 HydrophobicContact CD1-CD2 4.21Å; F126-Y159 AromaticContact CD1-CE1 3.24Å; F126-Y159 HydrophobicContact CD1-CE1 3.24Å; F126-Y159 AromaticContact CD1-CE2 3.98Å; F126-Y159 HydrophobicContact CD1-CE2 3.98Å; F126-Y159 AromaticContact CD1-CG 3.95Å; F126-Y159 HydrophobicContact CD1-CG 3.95Å; F126-Y159 AromaticContact CD1-CZ 3.49Å; F126-Y159 VanDerWaalsContact CD1-CZ 3.49Å; F126-Y159 AromaticContact CE1-CD1 3.87Å; F126-Y159 HydrophobicContact CE1-CD1 3.87Å; F126-Y159 AromaticContact CE1-CD2 3.72Å; F126-Y159 HydrophobicContact CE1-CD2 3.72Å; F126-Y159 AromaticContact CE1-CE1 3.58Å; F126-Y159 HydrophobicContact CE1-CE1 3.58Å; F126-Y159 AromaticContact CE1-CE2 3.37Å; F126-Y159 HydrophobicContact CE1-CE2 3.37Å; F126-Y159 AromaticContact CE1-CG 3.92Å; F126-Y159 HydrophobicContact CE1-CG 3.92Å; F126-Y159 AromaticContact CE1-CZ 3.28Å; F126-Y159 HydrophobicContact CG-CE1 4.03Å; F126-Y159 HydrophobicContact CZ-CE2 4.11Å; F126-V162 HydrophobicContact CD1-CB 4.07Å; F126-V162 HydrophobicContact CD1-CG1 3.82Å; F126-V162 HydrophobicContact CD2-CG1 4.12Å; F126-V162 HydrophobicContact CE1-CB 3.78Å; F126-V162 HydrophobicContact CE1-CG1 3.53Å; F126-V162 HydrophobicContact CE1-CG2 4.28Å; F126-V162 HydrophobicContact CE2-CG1 3.84Å; F126-V162 HydrophobicContact CG-CG1 4.13Å; F126-V162 HydrophobicContact CZ-CB 4.26Å; F126-V162 HydrophobicContact CZ-CG1 3.57Å; F126-F163 HydrophobicContact CB-CB 4.26Å; F126-F163 HydrophobicContact CB-CD2 3.93Å; F126-L166 HydrophobicContact CD2-CD1 4.11Å
127	H	98.3	Very high	97.3	Very high	13 Å²	13	51.1 Å²	51.1	6%	0.06	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-50.3	177	168.2	-91.2	0	0	0	111.7	C106 D107 K110 V123 E124 D125 Q129 F130 V131 F163	C106-H127 PolarHBondContact O-CD2 3.34Å; D107-H127 IonicContact OD1-CD2 2.7Å; D107-H127 IonicContact OD1-CE1 2.61Å; D107-H127 PolarHBondContact OD1-CE1 3.44Å; D107-H127 IonicContact OD1-NE2 3.9Å; D107-H127 PolarHBondContact OD1-NE2 2.89Å; K110-H127 HydrophobicContact CB-CB 4.32Å; K110-H127 HydrophobicContact CD-CB 4.15Å; K110-H127 HydrophobicContact CG-CB 4.27Å; V123-H127 VanDerWaalsContact O-CB 3.26Å; V123-H127 WeakPolarHBondContact O-CB 3.21Å; V123-H127 PolarHBondContact O-N 3.2Å; E124-H127 PolarHBondContact O-N 2.91Å; D125-H127 VanDerWaalsContact C-N 3.31Å; D125-H127 PolarHBondContact O-N 2.94Å; H127-Q129 PolarHBondContact O-N 3.46Å; H127-F130 PolarHBondContact O-N 3.13Å; H127-V131 WeakPolarHBondContact O-CB 3.37Å; H127-V131 WeakPolarHBondContact O-CG2 3.39Å; H127-V131 PolarHBondContact O-N 3.33Å; H127-F163 VanDerWaalsContact CA-CE2 3.45Å; H127-F163 HydrophobicContact CB-CD2 4.33Å; H127-F163 HydrophobicContact CB-CE2 3.66Å; H127-F163 HydrophobicContact CB-CZ 4.26Å; H127-F163 AromaticContact CD2-CZ 3.95Å
128	E	98.2	Very high	97.4	Very high	120 Å²	120	48.7 Å²	48.7	56%	0.561	24%	0.244	S	C	*	.	H	α-helix	trans	-62.3	-43.9	-178.2	-76.5	178.9	-172.2	0	0	111.4	E124 D125 F130 G132	E124-E128 WeakPolarHBondContact O-CB 3.4Å; E124-E128 VanDerWaalsContact O-CG 3.27Å; E124-E128 WeakPolarHBondContact O-CG 3.37Å; E124-E128 PolarHBondContact O-N 3.04Å; D125-E128 PolarHBondContact O-N 2.6Å; E128-F130 PolarHBondContact O-N 3.03Å; E128-G132 PolarHBondContact O-N 2.97Å
129	Q	97.9	Very high	97.5	Very high	80 Å²	80	50.1 Å²	50.1	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-42.2	176	-68	-55.9	-38.5	0	0	112.1	D125 H127 M133 Y159	D125-Q129 VanDerWaalsContact O-CG 3.28Å; D125-Q129 WeakPolarHBondContact O-CG 3.46Å; D125-Q129 PolarHBondContact O-N 3.47Å; H127-Q129 PolarHBondContact O-N 3.46Å; Q129-M133 WeakPolarHBondContact O-CB 3.35Å; Q129-M133 PolarHBondContact O-N 2.93Å; Q129-Y159 HydrophobicContact CB-CD1 3.63Å; Q129-Y159 HydrophobicContact CB-CE1 3.92Å; Q129-Y159 HydrophobicContact CG-CD1 3.71Å; Q129-Y159 HydrophobicContact CG-CE1 3.56Å
130	F	98.4	Very high	97.6	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-69	-47.1	179.6	-167.4	-86.9	0	0	0	111.6	F102 F126 H127 E128 G132 M133 V134 Y160 F163 L164	F102-F130 AromaticContact CE1-CE1 3.65Å; F102-F130 HydrophobicContact CE1-CE1 3.65Å; F102-F130 HydrophobicContact CE1-CZ 4.09Å; F102-F130 AromaticContact CZ-CE1 3.54Å; F102-F130 HydrophobicContact CZ-CE1 3.54Å; F102-F130 AromaticContact CZ-CZ 3.87Å; F102-F130 HydrophobicContact CZ-CZ 3.87Å; F126-F130 WeakPolarHBondContact O-CB 3.47Å; F126-F130 PolarHBondContact O-N 2.81Å; H127-F130 PolarHBondContact O-N 3.13Å; E128-F130 PolarHBondContact O-N 3.03Å; F130-G132 VanDerWaalsContact C-N 3.33Å; F130-G132 PolarHBondContact O-N 3.36Å; F130-M133 HydrophobicContact CD1-CE 4.24Å; F130-M133 HydrophobicContact CD2-CE 4.16Å; F130-M133 HydrophobicContact CE1-CE 4.06Å; F130-M133 HydrophobicContact CE2-CE 3.98Å; F130-M133 HydrophobicContact CG-CE 4.28Å; F130-M133 HydrophobicContact CZ-CE 3.92Å; F130-M133 WeakPolarHBondContact O-CB 3.49Å; F130-M133 WeakPolarHBondContact O-CE 3.45Å; F130-M133 PolarHBondContact O-N 2.79Å; F130-V134 HydrophobicContact CD1-CG2 4.19Å; F130-V134 HydrophobicContact CE1-CG2 4.03Å; F130-V134 WeakPolarHBondContact O-CG2 3.26Å; F130-V134 PolarHBondContact O-N 3.37Å; F130-Y160 HydrophobicContact CD2-CD1 4.05Å; F130-Y160 HydrophobicContact CD2-CG 4.23Å; F130-F163 HydrophobicContact CB-CB 4.06Å; F130-F163 HydrophobicContact CB-CD1 3.52Å; F130-F163 HydrophobicContact CB-CE1 4.12Å; F130-F163 HydrophobicContact CB-CG 3.76Å; F130-F163 AromaticContact CD1-CD1 3.6Å; F130-F163 HydrophobicContact CD1-CD1 3.6Å; F130-F163 AromaticContact CD1-CE1 3.81Å; F130-F163 HydrophobicContact CD1-CE1 3.81Å; F130-F163 HydrophobicContact CD2-CB 4.02Å; F130-F163 AromaticContact CD2-CD1 3.7Å; F130-F163 HydrophobicContact CD2-CD1 3.7Å; F130-F163 HydrophobicContact CD2-CG 4.23Å; F130-F163 HydrophobicContact CE1-CD1 4.23Å; F130-F163 HydrophobicContact CE1-CE1 4.43Å; F130-F163 HydrophobicContact CE2-CD1 4.32Å; F130-F163 HydrophobicContact CG-CB 4.22Å; F130-F163 AromaticContact CG-CD1 3.3Å; F130-F163 HydrophobicContact CG-CD1 3.3Å; F130-F163 AromaticContact CG-CE1 3.95Å; F130-F163 HydrophobicContact CG-CE1 3.95Å; F130-F163 AromaticContact CG-CG 3.97Å; F130-F163 HydrophobicContact CG-CG 3.97Å; F130-L164 HydrophobicContact CE2-CD1 4.12Å; F130-L164 HydrophobicContact CE2-CD2 3.97Å; F130-L164 HydrophobicContact CE2-CG 3.74Å; F130-L164 HydrophobicContact CZ-CD1 4.47Å; F130-L164 HydrophobicContact CZ-CD2 3.73Å; F130-L164 HydrophobicContact CZ-CG 4.04Å
131	V	98.5	Very high	97.4	Very high	22 Å²	22	50 Å²	50	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-41.4	177.2	165	0	0	0	0	111.3	K103 C106 H127 M133 V134 D135	K103-V131 HydrophobicContact CD-CG1 3.72Å; K103-V131 HydrophobicContact CG-CG1 4.24Å; K103-V131 HydrophobicContact CG-CG2 4.45Å; C106-V131 HydrophobicContact CB-CG2 3.95Å; H127-V131 WeakPolarHBondContact O-CB 3.37Å; H127-V131 WeakPolarHBondContact O-CG2 3.39Å; H127-V131 PolarHBondContact O-N 3.33Å; V131-M133 VanDerWaalsContact C-N 3.28Å; V131-M133 PolarHBondContact O-N 3.21Å; V131-V134 WeakPolarHBondContact O-CB 3.3Å; V131-V134 PolarHBondContact O-N 2.9Å; V131-V134 VanDerWaalsContact O-N 3.1Å; V131-D135 PolarHBondContact O-N 3.4Å
132	G	98.4	Very high	97.5	Very high	37 Å²	37	43.3 Å²	43.3	38%	0.381	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-37.6	174.3	0	0	0	0	0	112.6	E128 F130 D135 R136	E128-G132 PolarHBondContact O-N 2.97Å; F130-G132 VanDerWaalsContact C-N 3.33Å; F130-G132 PolarHBondContact O-N 3.36Å; G132-D135 PolarHBondContact O-N 2.9Å; G132-R136 WeakPolarHBondContact O-CB 3.46Å; G132-R136 PolarHBondContact O-N 2.8Å
133	M	98.4	Very high	97.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.02	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-41.3	172.5	175.9	-77	-42.5	0	0	112	I87 Q129 F130 V131 D135 R136 F137 F151 Y160	I87-M133 HydrophobicContact CB-SD 4.33Å; I87-M133 HydrophobicContact CD1-CE 3.74Å; I87-M133 HydrophobicContact CD1-SD 3.92Å; I87-M133 HydrophobicContact CG1-CE 3.88Å; I87-M133 HydrophobicContact CG1-SD 3.67Å; I87-M133 HydrophobicContact CG2-SD 3.92Å; Q129-M133 WeakPolarHBondContact O-CB 3.35Å; Q129-M133 PolarHBondContact O-N 2.93Å; F130-M133 HydrophobicContact CD1-CE 4.24Å; F130-M133 HydrophobicContact CD2-CE 4.16Å; F130-M133 HydrophobicContact CE1-CE 4.06Å; F130-M133 HydrophobicContact CE2-CE 3.98Å; F130-M133 HydrophobicContact CG-CE 4.28Å; F130-M133 HydrophobicContact CZ-CE 3.92Å; F130-M133 WeakPolarHBondContact O-CB 3.49Å; F130-M133 WeakPolarHBondContact O-CE 3.45Å; F130-M133 PolarHBondContact O-N 2.79Å; V131-M133 VanDerWaalsContact C-N 3.28Å; V131-M133 PolarHBondContact O-N 3.21Å; M133-D135 VanDerWaalsContact C-N 3.33Å; M133-D135 PolarHBondContact O-N 3.47Å; M133-R136 PolarHBondContact O-N 3.13Å; M133-F137 HydrophobicContact CG-CD2 4.14Å; M133-F137 HydrophobicContact CG-CE2 4.11Å; M133-F137 VanDerWaalsContact O-CD2 3.23Å; M133-F137 WeakPolarHBondContact O-CD2 3.4Å; M133-F137 PolarHBondContact O-N 3.14Å; M133-F137 HydrophobicContact SD-CD2 4.09Å; M133-F151 HydrophobicContact SD-CE2 4.43Å; M133-Y160 HydrophobicContact CB-CD1 4.48Å; M133-Y160 HydrophobicContact CB-CE1 3.75Å; M133-Y160 HydrophobicContact CB-CE2 4.22Å; M133-Y160 HydrophobicContact CG-CD2 4.25Å; M133-Y160 HydrophobicContact CG-CE1 4.05Å; M133-Y160 HydrophobicContact CG-CE2 3.6Å
134	V	98.6	Very high	97.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-46.5	174.3	-178.1	0	0	0	0	110.3	I87 A99 F102 K103 F130 V131 F137 T138	I87-V134 HydrophobicContact CD1-CB 4.45Å; I87-V134 HydrophobicContact CD1-CG1 4.48Å; I87-V134 HydrophobicContact CD1-CG2 3.84Å; A99-V134 HydrophobicContact CB-CG1 4.05Å; F102-V134 HydrophobicContact CD1-CG2 4.18Å; F102-V134 HydrophobicContact CE1-CG2 4.13Å; K103-V134 HydrophobicContact CD-CB 4.36Å; K103-V134 HydrophobicContact CD-CG1 4.24Å; K103-V134 HydrophobicContact CG-CB 4.18Å; K103-V134 HydrophobicContact CG-CG1 3.95Å; F130-V134 HydrophobicContact CD1-CG2 4.19Å; F130-V134 HydrophobicContact CE1-CG2 4.03Å; F130-V134 WeakPolarHBondContact O-CG2 3.26Å; F130-V134 PolarHBondContact O-N 3.37Å; V131-V134 WeakPolarHBondContact O-CB 3.3Å; V131-V134 PolarHBondContact O-N 2.9Å; V131-V134 VanDerWaalsContact O-N 3.1Å; V134-F137 PolarHBondContact O-N 3.34Å; V134-T138 HydrophobicContact CG1-CG2 4.32Å; V134-T138 WeakPolarHBondContact O-CB 3.27Å; V134-T138 WeakPolarHBondContact O-CG2 3.34Å; V134-T138 PolarHBondContact O-N 3.13Å; V134-T138 VanDerWaalsContact O-N 3.09Å; V134-T138 PolarHBondContact O-OG1 2.99Å
135	D	98.5	Very high	97.6	Very high	38 Å²	38	51.5 Å²	51.5	20%	0.203	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-41.1	-179.6	-82.8	-34.5	0	0	0	112.7	K103 V131 G132 M133 F137 T138 V139 D140	K103-D135 IonicContact NZ-OD1 3.33Å; K103-D135 PolarHBondContact NZ-OD1 3.41Å; K103-D135 IonicContact NZ-OD2 3.97Å; K103-D135 PolarHBondContact NZ-OD2 3.33Å; V131-D135 PolarHBondContact O-N 3.4Å; G132-D135 PolarHBondContact O-N 2.9Å; M133-D135 VanDerWaalsContact C-N 3.33Å; M133-D135 PolarHBondContact O-N 3.47Å; D135-F137 PolarHBondContact O-N 3.12Å; D135-T138 PolarHBondContact O-N 2.86Å; D135-V139 WeakPolarHBondContact O-CA 3.4Å; D135-V139 WeakPolarHBondContact O-CB 3.38Å; D135-V139 PolarHBondContact O-N 3.03Å; D135-V139 VanDerWaalsContact OD1-CG2 3.32Å; D135-V139 WeakPolarHBondContact OD1-CG2 3.34Å; D135-D140 PolarHBondContact O-N 3.38Å
136	R	98.2	Very high	97.6	Very high	101 Å²	101	52.1 Å²	52.1	38%	0.381	29%	0.286	S	S	.	.	H	α-helix	trans	-52.9	-43.5	176.2	-177.8	176.5	179.1	172.3	-0.3	112.6	G132 M133 G142 E146	G132-R136 WeakPolarHBondContact O-CB 3.46Å; G132-R136 PolarHBondContact O-N 2.8Å; M133-R136 PolarHBondContact O-N 3.13Å; R136-G142 PolarHBondContact O-N 3.37Å; R136-E146 IonicContact NH2-OE1 3.05Å; R136-E146 PolarHBondContact NH2-OE1 2.97Å
137	F	98.3	Very high	97.7	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-96.8	-0.3	-174.5	-64.4	-66.1	0	0	0	114.4	I87 L91 M133 V134 D135 T143 E146 L147 V150	I87-F137 HydrophobicContact CG2-CB 3.72Å; I87-F137 HydrophobicContact CG2-CD2 4.06Å; I87-F137 HydrophobicContact CG2-CG 4.14Å; L91-F137 WeakPolarHBondContact CB-O 3.47Å; L91-F137 WeakPolarHBondContact CD1-O 3.35Å; L91-F137 HydrophobicContact CD2-CD1 4.39Å; M133-F137 HydrophobicContact CG-CD2 4.14Å; M133-F137 HydrophobicContact CG-CE2 4.11Å; M133-F137 VanDerWaalsContact O-CD2 3.23Å; M133-F137 WeakPolarHBondContact O-CD2 3.4Å; M133-F137 PolarHBondContact O-N 3.14Å; M133-F137 HydrophobicContact SD-CD2 4.09Å; V134-F137 PolarHBondContact O-N 3.34Å; D135-F137 PolarHBondContact O-N 3.12Å; F137-T143 WeakPolarHBondContact CE1-O 3.46Å; F137-E146 HydrophobicContact CE1-CB 3.82Å; F137-E146 HydrophobicContact CZ-CB 4.27Å; F137-L147 HydrophobicContact CD1-CB 3.93Å; F137-L147 HydrophobicContact CD1-CD1 4.43Å; F137-L147 HydrophobicContact CD2-CD1 3.63Å; F137-L147 HydrophobicContact CE1-CB 3.65Å; F137-L147 HydrophobicContact CE1-CD1 4.41Å; F137-L147 VanDerWaalsContact CE1-N 3.27Å; F137-L147 HydrophobicContact CE2-CB 4.31Å; F137-L147 HydrophobicContact CE2-CD1 3.59Å; F137-L147 HydrophobicContact CG-CB 4.41Å; F137-L147 HydrophobicContact CG-CD1 4.07Å; F137-L147 HydrophobicContact CZ-CB 3.86Å; F137-L147 HydrophobicContact CZ-CD1 4.02Å; F137-V150 HydrophobicContact CZ-CG2 4.12Å
138	T	96.9	Very high	97.7	Very high	15 Å²	15	52.5 Å²	52.5	9%	0.092	29%	0.289	C	S	.	.	H	α-helix	trans	-126.5	-27.9	-179.7	63.3	0	0	0	0	113.8	L90 I96 A99 V134 D135	L90-T138 HydrophobicContact CB-CG2 3.7Å; L90-T138 HydrophobicContact CD1-CG2 4.35Å; I96-T138 WeakPolarHBondContact CG1-O 3.23Å; A99-T138 HydrophobicContact CB-CG2 3.76Å; V134-T138 HydrophobicContact CG1-CG2 4.32Å; V134-T138 WeakPolarHBondContact O-CB 3.27Å; V134-T138 WeakPolarHBondContact O-CG2 3.34Å; V134-T138 PolarHBondContact O-N 3.13Å; V134-T138 VanDerWaalsContact O-N 3.09Å; V134-T138 PolarHBondContact O-OG1 2.99Å; D135-T138 PolarHBondContact O-N 2.86Å
139	V	96.9	Very high	97.7	Very high	83 Å²	83	48.8 Å²	48.8	50%	0.503	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-47.9	-178.6	-179.6	0	0	0	0	110.8	D135 G141	D135-V139 WeakPolarHBondContact O-CA 3.4Å; D135-V139 WeakPolarHBondContact O-CB 3.38Å; D135-V139 PolarHBondContact O-N 3.03Å; D135-V139 VanDerWaalsContact OD1-CG2 3.32Å; D135-V139 WeakPolarHBondContact OD1-CG2 3.34Å; V139-G141 VanDerWaalsContact C-N 3.29Å; V139-G141 PolarHBondContact O-N 2.98Å
140	D	97.1	Very high	97.7	Very high	121 Å²	121	45.6 Å²	45.6	65%	0.647	27%	0.268	S	S	*	.	S	Bend	trans	-84.7	-2.3	-170	-56.9	-29.8	0	0	0	114	D135	D135-D140 PolarHBondContact O-N 3.38Å
141	G	92.5	Very high	97.7	Very high	60 Å²	60	45.6 Å²	45.6	62%	0.619	27%	0.268	S	S	*	.			trans	78.2	27	174.5	0	0	0	0	0	114.7	V139	V139-G141 VanDerWaalsContact C-N 3.29Å; V139-G141 PolarHBondContact O-N 2.98Å
142	G	97.3	Very high	97.6	Very high	8 Å²	8	47.2 Å²	47.2	8%	0.082	28%	0.276	C	S	.	.			trans	-55.4	151.6	169.6	0	0	0	0	0	112.5	L91 R136 E146	L91-G142 WeakPolarHBondContact CD1-O 2.99Å; R136-G142 PolarHBondContact O-N 3.37Å; G142-E146 WeakPolarHBondContact CA-OE2 3.39Å
143	T	97.7	Very high	97.6	Very high	69 Å²	69	48.7 Å²	48.7	42%	0.423	28%	0.275	S	S	.	.			trans	-96.5	163.6	-176.6	62.7	0	0	0	0	112.3	F137 E145 E146 L147	F137-T143 WeakPolarHBondContact CE1-O 3.46Å; T143-E145 VanDerWaalsContact C-N 3.28Å; T143-E145 PolarHBondContact O-N 3.03Å; T143-E146 PolarHBondContact N-OE2 2.98Å; T143-E146 PolarHBondContact O-N 2.93Å; T143-E146 VanDerWaalsContact OG1-CG 3.3Å; T143-E146 WeakPolarHBondContact OG1-CG 3.39Å; T143-E146 PolarHBondContact OG1-N 3.35Å; T143-E146 PolarHBondContact OG1-OE2 3.4Å; T143-L147 PolarHBondContact O-N 3.48Å
144	L	96.9	Very high	97.4	Very high	51 Å²	51	51.6 Å²	51.6	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-38.3	173.9	-178.9	59.7	0	0	0	111.3	F84 E88 L91 E146 L147 E148	F84-L144 HydrophobicContact CZ-CD1 4.06Å; E88-L144 HydrophobicContact CB-CD1 4.47Å; E88-L144 HydrophobicContact CG-CD1 3.95Å; L91-L144 HydrophobicContact CD2-CB 4.31Å; L144-E146 VanDerWaalsContact C-N 3.32Å; L144-E146 PolarHBondContact O-N 3.13Å; L144-L147 HydrophobicContact CD1-CD2 4.18Å; L144-L147 WeakPolarHBondContact O-CB 3.39Å; L144-L147 PolarHBondContact O-N 3.06Å; L144-L147 VanDerWaalsContact O-N 3.15Å; L144-E148 VanDerWaalsContact O-CG 3.29Å; L144-E148 WeakPolarHBondContact O-CG 3.28Å; L144-E148 PolarHBondContact O-N 2.82Å
145	E	97.8	Very high	97.3	Very high	163 Å²	163	54.9 Å²	54.9	76%	0.762	32%	0.316	S	S	*	.	H	α-helix	trans	-61.7	-40.3	176.5	-174.2	172.9	-175.1	0	0	111.8	T143 E148 G149	T143-E145 VanDerWaalsContact C-N 3.28Å; T143-E145 PolarHBondContact O-N 3.03Å; E145-E148 PolarHBondContact O-N 3.18Å; E145-G149 PolarHBondContact O-N 2.94Å
146	E	98.3	Very high	97.3	Very high	75 Å²	75	58.9 Å²	58.9	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-39.2	172.9	-72.9	172.3	104.7	0	0	112.4	R136 F137 G142 T143 L144 E148 G149 V150	R136-E146 IonicContact NH2-OE1 3.05Å; R136-E146 PolarHBondContact NH2-OE1 2.97Å; F137-E146 HydrophobicContact CE1-CB 3.82Å; F137-E146 HydrophobicContact CZ-CB 4.27Å; G142-E146 WeakPolarHBondContact CA-OE2 3.39Å; T143-E146 PolarHBondContact N-OE2 2.98Å; T143-E146 PolarHBondContact O-N 2.93Å; T143-E146 VanDerWaalsContact OG1-CG 3.3Å; T143-E146 WeakPolarHBondContact OG1-CG 3.39Å; T143-E146 PolarHBondContact OG1-N 3.35Å; T143-E146 PolarHBondContact OG1-OE2 3.4Å; L144-E146 VanDerWaalsContact C-N 3.32Å; L144-E146 PolarHBondContact O-N 3.13Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.2Å; E146-G149 PolarHBondContact O-N 3.17Å; E146-V150 WeakPolarHBondContact O-CG2 3.42Å; E146-V150 PolarHBondContact O-N 3.43Å
147	L	98.4	Very high	97.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-44.5	175.9	179.3	64.1	0	0	0	110.7	F84 I87 E88 L91 F137 T143 L144 G149 V150 F151	F84-L147 HydrophobicContact CD2-CD2 4.22Å; F84-L147 HydrophobicContact CD2-CG 3.99Å; F84-L147 HydrophobicContact CE2-CD2 3.93Å; F84-L147 HydrophobicContact CE2-CG 3.72Å; F84-L147 HydrophobicContact CZ-CD2 4.36Å; I87-L147 HydrophobicContact CB-CD1 4.23Å; I87-L147 HydrophobicContact CB-CD2 4.31Å; I87-L147 HydrophobicContact CG2-CD1 3.67Å; I87-L147 HydrophobicContact CG2-CD2 4Å; E88-L147 HydrophobicContact CB-CD2 4.04Å; L91-L147 HydrophobicContact CD2-CD2 4.41Å; F137-L147 HydrophobicContact CD1-CB 3.93Å; F137-L147 HydrophobicContact CD1-CD1 4.43Å; F137-L147 HydrophobicContact CD2-CD1 3.63Å; F137-L147 HydrophobicContact CE1-CB 3.65Å; F137-L147 HydrophobicContact CE1-CD1 4.41Å; F137-L147 VanDerWaalsContact CE1-N 3.27Å; F137-L147 HydrophobicContact CE2-CB 4.31Å; F137-L147 HydrophobicContact CE2-CD1 3.59Å; F137-L147 HydrophobicContact CG-CB 4.41Å; F137-L147 HydrophobicContact CG-CD1 4.07Å; F137-L147 HydrophobicContact CZ-CB 3.86Å; F137-L147 HydrophobicContact CZ-CD1 4.02Å; T143-L147 PolarHBondContact O-N 3.48Å; L144-L147 HydrophobicContact CD1-CD2 4.18Å; L144-L147 WeakPolarHBondContact O-CB 3.39Å; L144-L147 PolarHBondContact O-N 3.06Å; L144-L147 VanDerWaalsContact O-N 3.15Å; L147-G149 VanDerWaalsContact C-N 3.31Å; L147-G149 PolarHBondContact O-N 2.79Å; L147-V150 PolarHBondContact O-N 2.94Å; L147-F151 HydrophobicContact CD1-CD2 3.73Å; L147-F151 HydrophobicContact CD1-CE2 3.7Å; L147-F151 HydrophobicContact CG-CD2 4.39Å; L147-F151 PolarHBondContact O-N 3.42Å
148	E	97.9	Very high	97.2	Very high	52 Å²	52	55.8 Å²	55.8	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-40.4	174.4	-69.3	-177.8	-163.2	0	0	112.3	R69 F84 L144 E145 E146 N152	R69-E148 IonicContact CZ-OE1 3.98Å; R69-E148 IonicContact CZ-OE2 2.77Å; R69-E148 IonicContact NH2-OE1 3.01Å; R69-E148 PolarHBondContact NH2-OE1 3.42Å; R69-E148 IonicContact NH2-OE2 3.78Å; R69-E148 PolarHBondContact NH2-OE2 3.33Å; F84-E148 HydrophobicContact CE2-CG 3.87Å; F84-E148 HydrophobicContact CZ-CG 3.82Å; L144-E148 VanDerWaalsContact O-CG 3.29Å; L144-E148 WeakPolarHBondContact O-CG 3.28Å; L144-E148 PolarHBondContact O-N 2.82Å; E145-E148 PolarHBondContact O-N 3.18Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.2Å; E148-N152 WeakPolarHBondContact O-CB 3.39Å; E148-N152 PolarHBondContact O-N 2.84Å; E148-N152 PolarHBondContact O-ND2 2.87Å
149	G	97.9	Very high	97.3	Very high	42 Å²	42	58.5 Å²	58.5	43%	0.433	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-48.2	175.7	0	0	0	0	0	112.1	E145 E146 L147 N152 D153	E145-G149 PolarHBondContact O-N 2.94Å; E146-G149 PolarHBondContact O-N 3.17Å; L147-G149 VanDerWaalsContact C-N 3.31Å; L147-G149 PolarHBondContact O-N 2.79Å; G149-N152 PolarHBondContact O-N 2.83Å; G149-D153 PolarHBondContact O-N 2.9Å
150	V	98	Very high	97.3	Very high	12 Å²	12	55.2 Å²	55.2	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-41.3	180	179.6	0	0	0	0	111.3	F137 E146 L147 N152 D153 Y156 Y160	F137-V150 HydrophobicContact CZ-CG2 4.12Å; E146-V150 WeakPolarHBondContact O-CG2 3.42Å; E146-V150 PolarHBondContact O-N 3.43Å; L147-V150 PolarHBondContact O-N 2.94Å; V150-N152 VanDerWaalsContact C-N 3.28Å; V150-N152 PolarHBondContact O-N 2.93Å; V150-D153 PolarHBondContact O-N 3.49Å; V150-Y156 HydrophobicContact CG1-CD2 4.5Å; V150-Y156 HydrophobicContact CG1-CG 4.15Å; V150-Y160 HydrophobicContact CG1-CE2 3.48Å; V150-Y160 VanDerWaalsContact CG1-CE2 3.48Å; V150-Y160 WeakPolarHBondContact CG1-OH 3.42Å
151	F	98.3	Very high	97.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-75	-14.1	177.2	-89.9	-101.1	0	0	0	114.3	L34 I35 R80 G83 F84 M133 L147 S157 Y160	L34-F151 WeakPolarHBondContact CB-O 3.43Å; L34-F151 WeakPolarHBondContact CD1-O 3.42Å; I35-F151 HydrophobicContact CD1-CB 3.39Å; I35-F151 HydrophobicContact CD1-CG 4.26Å; I35-F151 HydrophobicContact CG1-CB 4.11Å; R80-F151 HydrophobicContact CG-CD1 4.01Å; R80-F151 HydrophobicContact CG-CE1 4.39Å; G83-F151 VanDerWaalsContact C-CZ 3.48Å; F84-F151 HydrophobicContact CB-CD1 3.9Å; F84-F151 HydrophobicContact CB-CE1 3.9Å; F84-F151 HydrophobicContact CB-CG 4.27Å; F84-F151 HydrophobicContact CB-CZ 4.27Å; F84-F151 HydrophobicContact CD2-CB 4.01Å; F84-F151 HydrophobicContact CD2-CD1 4.32Å; F84-F151 AromaticContact CD2-CD2 3.96Å; F84-F151 HydrophobicContact CD2-CD2 3.96Å; F84-F151 AromaticContact CD2-CG 3.85Å; F84-F151 HydrophobicContact CD2-CG 3.85Å; M133-F151 HydrophobicContact SD-CE2 4.43Å; L147-F151 HydrophobicContact CD1-CD2 3.73Å; L147-F151 HydrophobicContact CD1-CE2 3.7Å; L147-F151 HydrophobicContact CG-CD2 4.39Å; L147-F151 PolarHBondContact O-N 3.42Å; F151-S157 WeakPolarHBondContact CD1-OG 3.25Å; F151-S157 VanDerWaalsContact O-CB 3.31Å; F151-S157 WeakPolarHBondContact O-CB 3.3Å; F151-S157 PolarHBondContact O-OG 3.39Å; F151-S157 VanDerWaalsContact O-OG 3.13Å; F151-Y160 HydrophobicContact CE2-CD2 4.05Å; F151-Y160 HydrophobicContact CE2-CE2 4.38Å; F151-Y160 HydrophobicContact CZ-CD2 4.07Å
152	N	97.8	Very high	97.7	Very high	57 Å²	57	48.1 Å²	48.1	31%	0.305	26%	0.257	S	S	.	.	H	α-helix	trans	-93.9	-6.6	170.1	-83.6	-63.3	0	0	0	113.9	C33 L34 I35 E148 G149 V150	C33-N152 WeakPolarHBondContact CB-OD1 3.22Å; L34-N152 PolarHBondContact N-OD1 2.92Å; I35-N152 VanDerWaalsContact CG1-ND2 3.29Å; I35-N152 WeakPolarHBondContact CG1-ND2 3.35Å; I35-N152 PolarHBondContact N-OD1 2.85Å; I35-N152 VanDerWaalsContact N-OD1 3.11Å; I35-N152 PolarHBondContact O-ND2 2.84Å; I35-N152 PolarHBondContact O-OD1 2.86Å; E148-N152 WeakPolarHBondContact O-CB 3.39Å; E148-N152 PolarHBondContact O-N 2.84Å; E148-N152 PolarHBondContact O-ND2 2.87Å; G149-N152 PolarHBondContact O-N 2.83Å; V150-N152 VanDerWaalsContact C-N 3.28Å; V150-N152 PolarHBondContact O-N 2.93Å
153	D	97.4	Very high	97.7	Very high	67 Å²	67	47.8 Å²	47.8	36%	0.358	25%	0.253	S	S	.	.	S	Bend	trans	-79.9	122.3	163.8	-175.4	-75.9	0	0	0	109.6	G149 V150 A155 Y156 S157	G149-D153 PolarHBondContact O-N 2.9Å; V150-D153 PolarHBondContact O-N 3.49Å; D153-A155 VanDerWaalsContact C-N 3.34Å; D153-A155 PolarHBondContact O-N 2.89Å; D153-A155 WeakPolarHBondContact OD1-CB 3.31Å; D153-A155 PolarHBondContact OD1-N 3.43Å; D153-Y156 HydrophobicContact CB-CD2 3.77Å; D153-Y156 VanDerWaalsContact CG-CD2 3.49Å; D153-Y156 WeakPolarHBondContact OD1-CD2 3.33Å; D153-Y156 PolarHBondContact OD1-N 3.05Å; D153-Y156 VanDerWaalsContact OD1-N 3.07Å; D153-S157 WeakPolarHBondContact O-CB 3.32Å; D153-S157 PolarHBondContact O-N 3.21Å
154	Q	95.5	Very high	97.8	Very high	66 Å²	66	44.6 Å²	44.6	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-43.7	-175.3	-169.4	72.8	52.5	0	0	112.3	L34 D158	L34-Q154 HydrophobicContact CD1-CB 4.46Å; Q154-D158 PolarHBondContact NE2-OD1 2.99Å; Q154-D158 VanDerWaalsContact NE2-OD1 3.07Å; Q154-D158 PolarHBondContact NE2-OD2 3.43Å; Q154-D158 WeakPolarHBondContact O-CB 3.4Å; Q154-D158 PolarHBondContact O-N 2.88Å
155	A	96.5	Very high	97.8	Very high	69 Å²	69	42.2 Å²	42.2	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-68.9	-49.2	-174.3	0	0	0	0	0	110.6	D153 Y159	D153-A155 VanDerWaalsContact C-N 3.34Å; D153-A155 PolarHBondContact O-N 2.89Å; D153-A155 WeakPolarHBondContact OD1-CB 3.31Å; D153-A155 PolarHBondContact OD1-N 3.43Å; A155-Y159 PolarHBondContact O-N 2.87Å
156	Y	97.6	Very high	97.9	Very high	122 Å²	122	35.3 Å²	35.3	48%	0.478	19%	0.189	S	C	.	.	H	α-helix	trans	-64.2	-46.5	178.7	-69.6	-61	0	0	0	112	V150 D153 D158 Y159 Y160	V150-Y156 HydrophobicContact CG1-CD2 4.5Å; V150-Y156 HydrophobicContact CG1-CG 4.15Å; D153-Y156 HydrophobicContact CB-CD2 3.77Å; D153-Y156 VanDerWaalsContact CG-CD2 3.49Å; D153-Y156 WeakPolarHBondContact OD1-CD2 3.33Å; D153-Y156 PolarHBondContact OD1-N 3.05Å; D153-Y156 VanDerWaalsContact OD1-N 3.07Å; Y156-D158 VanDerWaalsContact C-N 3.35Å; Y156-D158 PolarHBondContact O-N 2.89Å; Y156-Y159 VanDerWaalsContact O-CB 3.31Å; Y156-Y159 WeakPolarHBondContact O-CB 3.1Å; Y156-Y159 PolarHBondContact O-N 3.31Å; Y156-Y160 VanDerWaalsContact O-CD2 3.31Å; Y156-Y160 WeakPolarHBondContact O-CD2 3.2Å; Y156-Y160 VanDerWaalsContact O-CG 3.31Å; Y156-Y160 PolarHBondContact O-N 3.42Å; Y156-Y160 VanDerWaalsContact O-N 3.15Å
157	S	98.1	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-39.4	-177	-160.8	0	0	0	0	111.9	R80 F151 D153 Y159 Y160 V161	R80-S157 PolarHBondContact NH1-OG 3.16Å; F151-S157 WeakPolarHBondContact CD1-OG 3.25Å; F151-S157 VanDerWaalsContact O-CB 3.31Å; F151-S157 WeakPolarHBondContact O-CB 3.3Å; F151-S157 PolarHBondContact O-OG 3.39Å; F151-S157 VanDerWaalsContact O-OG 3.13Å; D153-S157 WeakPolarHBondContact O-CB 3.32Å; D153-S157 PolarHBondContact O-N 3.21Å; S157-Y159 VanDerWaalsContact C-N 3.35Å; S157-Y160 PolarHBondContact O-N 3.42Å; S157-V161 WeakPolarHBondContact O-CG2 3.44Å; S157-V161 PolarHBondContact O-N 3.07Å
158	D	97.5	Very high	97.9	Very high	38 Å²	38	31.9 Å²	31.9	20%	0.203	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-34.8	175.1	-70.9	-7.3	0	0	0	112	R80 Q154 Y156 Y160 V161 V162 M200	R80-D158 IonicContact CZ-OD1 2.76Å; R80-D158 IonicContact NH1-OD1 3.78Å; R80-D158 PolarHBondContact NH1-OD1 3.29Å; R80-D158 IonicContact NH2-OD1 2.75Å; R80-D158 PolarHBondContact NH2-OD1 2.94Å; Q154-D158 PolarHBondContact NE2-OD1 2.99Å; Q154-D158 VanDerWaalsContact NE2-OD1 3.07Å; Q154-D158 PolarHBondContact NE2-OD2 3.43Å; Q154-D158 WeakPolarHBondContact O-CB 3.4Å; Q154-D158 PolarHBondContact O-N 2.88Å; Y156-D158 VanDerWaalsContact C-N 3.35Å; Y156-D158 PolarHBondContact O-N 2.89Å; D158-Y160 VanDerWaalsContact C-N 3.27Å; D158-Y160 PolarHBondContact O-N 2.68Å; D158-V161 PolarHBondContact O-N 3.27Å; D158-V162 WeakPolarHBondContact O-CG2 3.47Å; D158-V162 PolarHBondContact O-N 3.44Å; D158-M200 HydrophobicContact CB-CE 3.84Å
159	Y	97.4	Very high	97.9	Very high	71 Å²	71	29.4 Å²	29.4	28%	0.278	16%	0.162	S	C	.	.	H	α-helix	trans	-56.4	-44.1	172.6	-130.4	-104.7	0	0	0	112.1	D125 F126 Q129 A155 Y156 S157 V162 F163	D125-Y159 PolarHBondContact OD2-OH 2.71Å; F126-Y159 HydrophobicContact CB-CE1 4.47Å; F126-Y159 AromaticContact CD1-CD1 3.47Å; F126-Y159 HydrophobicContact CD1-CD1 3.47Å; F126-Y159 VanDerWaalsContact CD1-CD1 3.47Å; F126-Y159 HydrophobicContact CD1-CD2 4.21Å; F126-Y159 AromaticContact CD1-CE1 3.24Å; F126-Y159 HydrophobicContact CD1-CE1 3.24Å; F126-Y159 AromaticContact CD1-CE2 3.98Å; F126-Y159 HydrophobicContact CD1-CE2 3.98Å; F126-Y159 AromaticContact CD1-CG 3.95Å; F126-Y159 HydrophobicContact CD1-CG 3.95Å; F126-Y159 AromaticContact CD1-CZ 3.49Å; F126-Y159 VanDerWaalsContact CD1-CZ 3.49Å; F126-Y159 AromaticContact CE1-CD1 3.87Å; F126-Y159 HydrophobicContact CE1-CD1 3.87Å; F126-Y159 AromaticContact CE1-CD2 3.72Å; F126-Y159 HydrophobicContact CE1-CD2 3.72Å; F126-Y159 AromaticContact CE1-CE1 3.58Å; F126-Y159 HydrophobicContact CE1-CE1 3.58Å; F126-Y159 AromaticContact CE1-CE2 3.37Å; F126-Y159 HydrophobicContact CE1-CE2 3.37Å; F126-Y159 AromaticContact CE1-CG 3.92Å; F126-Y159 HydrophobicContact CE1-CG 3.92Å; F126-Y159 AromaticContact CE1-CZ 3.28Å; F126-Y159 HydrophobicContact CG-CE1 4.03Å; F126-Y159 HydrophobicContact CZ-CE2 4.11Å; Q129-Y159 HydrophobicContact CB-CD1 3.63Å; Q129-Y159 HydrophobicContact CB-CE1 3.92Å; Q129-Y159 HydrophobicContact CG-CD1 3.71Å; Q129-Y159 HydrophobicContact CG-CE1 3.56Å; A155-Y159 PolarHBondContact O-N 2.87Å; Y156-Y159 VanDerWaalsContact O-CB 3.31Å; Y156-Y159 WeakPolarHBondContact O-CB 3.1Å; Y156-Y159 PolarHBondContact O-N 3.31Å; S157-Y159 VanDerWaalsContact C-N 3.35Å; Y159-V162 PolarHBondContact O-N 3.18Å; Y159-F163 PolarHBondContact O-N 3.05Å; Y159-F163 VanDerWaalsContact O-N 3.16Å
160	Y	98.4	Very high	97.9	Very high	14 Å²	14	27.5 Å²	27.5	6%	0.055	14%	0.142	C	C	.	.	H	α-helix	trans	-70.8	-36.5	179.3	-53.2	-30.5	0	0	0	112.4	F130 M133 V150 F151 Y156 S157 D158 F163 L164	F130-Y160 HydrophobicContact CD2-CD1 4.05Å; F130-Y160 HydrophobicContact CD2-CG 4.23Å; M133-Y160 HydrophobicContact CB-CD1 4.48Å; M133-Y160 HydrophobicContact CB-CE1 3.75Å; M133-Y160 HydrophobicContact CB-CE2 4.22Å; M133-Y160 HydrophobicContact CG-CD2 4.25Å; M133-Y160 HydrophobicContact CG-CE1 4.05Å; M133-Y160 HydrophobicContact CG-CE2 3.6Å; V150-Y160 HydrophobicContact CG1-CE2 3.48Å; V150-Y160 VanDerWaalsContact CG1-CE2 3.48Å; V150-Y160 WeakPolarHBondContact CG1-OH 3.42Å; F151-Y160 HydrophobicContact CE2-CD2 4.05Å; F151-Y160 HydrophobicContact CE2-CE2 4.38Å; F151-Y160 HydrophobicContact CZ-CD2 4.07Å; Y156-Y160 VanDerWaalsContact O-CD2 3.31Å; Y156-Y160 WeakPolarHBondContact O-CD2 3.2Å; Y156-Y160 VanDerWaalsContact O-CG 3.31Å; Y156-Y160 PolarHBondContact O-N 3.42Å; Y156-Y160 VanDerWaalsContact O-N 3.15Å; S157-Y160 PolarHBondContact O-N 3.42Å; D158-Y160 VanDerWaalsContact C-N 3.27Å; D158-Y160 PolarHBondContact O-N 2.68Å; Y160-F163 PolarHBondContact O-N 3.27Å; Y160-L164 WeakPolarHBondContact O-CG 3.48Å; Y160-L164 PolarHBondContact O-N 3.26Å
161	V	98.5	Very high	97.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-45.4	172.9	168.2	0	0	0	0	110.7	N76 Y79 R80 S157 D158 F163 L164 R165 M200	N76-V161 HydrophobicContact CB-CG1 3.86Å; N76-V161 HydrophobicContact CB-CG2 4.25Å; Y79-V161 HydrophobicContact CG-CG1 4.46Å; R80-V161 HydrophobicContact CB-CG2 4.17Å; R80-V161 HydrophobicContact CG-CG2 4.48Å; S157-V161 WeakPolarHBondContact O-CG2 3.44Å; S157-V161 PolarHBondContact O-N 3.07Å; D158-V161 PolarHBondContact O-N 3.27Å; V161-F163 VanDerWaalsContact C-N 3.34Å; V161-F163 PolarHBondContact O-N 2.45Å; V161-L164 PolarHBondContact O-N 2.99Å; V161-R165 HydrophobicContact CG1-CG 4.41Å; V161-R165 WeakPolarHBondContact O-CG 3.28Å; V161-R165 PolarHBondContact O-N 3.23Å; V161-M200 HydrophobicContact CB-CE 4.1Å; V161-M200 HydrophobicContact CB-SD 4.41Å; V161-M200 HydrophobicContact CG1-CE 3.72Å; V161-M200 HydrophobicContact CG1-SD 3.67Å
162	V	98.1	Very high	97.8	Very high	32 Å²	32	29.1 Å²	29.1	19%	0.194	15%	0.147	C	C	.	.	H	α-helix	trans	-57.6	-48.3	177.9	172.4	0	0	0	0	110.4	F126 D158 Y159 L164 R165 L166 M200	F126-V162 HydrophobicContact CD1-CB 4.07Å; F126-V162 HydrophobicContact CD1-CG1 3.82Å; F126-V162 HydrophobicContact CD2-CG1 4.12Å; F126-V162 HydrophobicContact CE1-CB 3.78Å; F126-V162 HydrophobicContact CE1-CG1 3.53Å; F126-V162 HydrophobicContact CE1-CG2 4.28Å; F126-V162 HydrophobicContact CE2-CG1 3.84Å; F126-V162 HydrophobicContact CG-CG1 4.13Å; F126-V162 HydrophobicContact CZ-CB 4.26Å; F126-V162 HydrophobicContact CZ-CG1 3.57Å; D158-V162 WeakPolarHBondContact O-CG2 3.47Å; D158-V162 PolarHBondContact O-N 3.44Å; Y159-V162 PolarHBondContact O-N 3.18Å; V162-L164 VanDerWaalsContact C-N 3.32Å; V162-L164 PolarHBondContact O-N 3.41Å; V162-R165 WeakPolarHBondContact O-CB 3.46Å; V162-R165 PolarHBondContact O-N 3.5Å; V162-L166 HydrophobicContact CG1-CD1 4.07Å; V162-L166 HydrophobicContact CG1-CG 4.38Å; V162-L166 WeakPolarHBondContact O-CG 3.29Å; V162-L166 PolarHBondContact O-N 3.05Å; V162-M200 HydrophobicContact CG2-CE 4.27Å; V162-M200 HydrophobicContact CG2-CG 3.99Å; V162-M200 HydrophobicContact CG2-SD 3.48Å; V162-M200 WeakPolarHBondContact CG2-SD 3.47Å
163	F	98.5	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-40.8	178.8	-174.1	-102.2	0	0	0	112.5	C106 F126 H127 F130 Y159 Y160 V161 R165 L166 L167	C106-F163 HydrophobicContact CB-CE1 3.78Å; C106-F163 HydrophobicContact CB-CZ 3.77Å; F126-F163 HydrophobicContact CB-CB 4.26Å; F126-F163 HydrophobicContact CB-CD2 3.93Å; H127-F163 VanDerWaalsContact CA-CE2 3.45Å; H127-F163 HydrophobicContact CB-CD2 4.33Å; H127-F163 HydrophobicContact CB-CE2 3.66Å; H127-F163 HydrophobicContact CB-CZ 4.26Å; H127-F163 AromaticContact CD2-CZ 3.95Å; F130-F163 HydrophobicContact CB-CB 4.06Å; F130-F163 HydrophobicContact CB-CD1 3.52Å; F130-F163 HydrophobicContact CB-CE1 4.12Å; F130-F163 HydrophobicContact CB-CG 3.76Å; F130-F163 AromaticContact CD1-CD1 3.6Å; F130-F163 HydrophobicContact CD1-CD1 3.6Å; F130-F163 AromaticContact CD1-CE1 3.81Å; F130-F163 HydrophobicContact CD1-CE1 3.81Å; F130-F163 HydrophobicContact CD2-CB 4.02Å; F130-F163 AromaticContact CD2-CD1 3.7Å; F130-F163 HydrophobicContact CD2-CD1 3.7Å; F130-F163 HydrophobicContact CD2-CG 4.23Å; F130-F163 HydrophobicContact CE1-CD1 4.23Å; F130-F163 HydrophobicContact CE1-CE1 4.43Å; F130-F163 HydrophobicContact CE2-CD1 4.32Å; F130-F163 HydrophobicContact CG-CB 4.22Å; F130-F163 AromaticContact CG-CD1 3.3Å; F130-F163 HydrophobicContact CG-CD1 3.3Å; F130-F163 AromaticContact CG-CE1 3.95Å; F130-F163 HydrophobicContact CG-CE1 3.95Å; F130-F163 AromaticContact CG-CG 3.97Å; F130-F163 HydrophobicContact CG-CG 3.97Å; Y159-F163 PolarHBondContact O-N 3.05Å; Y159-F163 VanDerWaalsContact O-N 3.16Å; Y160-F163 PolarHBondContact O-N 3.27Å; V161-F163 VanDerWaalsContact C-N 3.34Å; V161-F163 PolarHBondContact O-N 2.45Å; F163-R165 PolarHBondContact O-N 3.23Å; F163-L166 PolarHBondContact O-N 3.46Å; F163-L167 HydrophobicContact CE1-CD1 4.23Å; F163-L167 WeakPolarHBondContact O-CB 3.36Å; F163-L167 PolarHBondContact O-N 2.83Å
164	L	98.7	Very high	97.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-37	176.5	-70.8	170.5	0	0	0	112.6	Y79 F82 F130 Y160 V161 V162 L167 V168 L212	Y79-L164 HydrophobicContact CD1-CB 3.74Å; Y79-L164 HydrophobicContact CG-CB 4.45Å; Y79-L164 VanDerWaalsContact O-CD1 3.29Å; Y79-L164 WeakPolarHBondContact O-CD1 3.34Å; F82-L164 HydrophobicContact CD1-CD1 4.2Å; F82-L164 HydrophobicContact CD1-CD2 4.06Å; F82-L164 HydrophobicContact CE1-CD2 4.02Å; F130-L164 HydrophobicContact CE2-CD1 4.12Å; F130-L164 HydrophobicContact CE2-CD2 3.97Å; F130-L164 HydrophobicContact CE2-CG 3.74Å; F130-L164 HydrophobicContact CZ-CD1 4.47Å; F130-L164 HydrophobicContact CZ-CD2 3.73Å; F130-L164 HydrophobicContact CZ-CG 4.04Å; Y160-L164 WeakPolarHBondContact O-CG 3.48Å; Y160-L164 PolarHBondContact O-N 3.26Å; V161-L164 PolarHBondContact O-N 2.99Å; V162-L164 VanDerWaalsContact C-N 3.32Å; V162-L164 PolarHBondContact O-N 3.41Å; L164-L167 PolarHBondContact O-N 3.48Å; L164-V168 PolarHBondContact O-N 3.23Å; L164-L212 HydrophobicContact CD2-CD1 4.33Å
165	R	98.5	Very high	97.7	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-45.6	172.5	-74.9	-179.7	177.6	-78.6	0.2	111.2	G75 N76 Y79 V161 V162 F163 L167 V168 S169 V197 P199 R202	G75-R165 PolarHBondContact O-NH2 3.17Å; G75-R165 VanDerWaalsContact O-NH2 3.13Å; N76-R165 PolarHBondContact OD1-NE 3.06Å; N76-R165 PolarHBondContact OD1-NH2 3.39Å; Y79-R165 HydrophobicContact CD1-CG 4.24Å; Y79-R165 HydrophobicContact CD2-CG 3.85Å; Y79-R165 HydrophobicContact CE1-CG 3.99Å; Y79-R165 HydrophobicContact CE2-CG 3.61Å; Y79-R165 VanDerWaalsContact CE2-CZ 3.47Å; Y79-R165 HydrophobicContact CG-CG 4.16Å; V161-R165 HydrophobicContact CG1-CG 4.41Å; V161-R165 WeakPolarHBondContact O-CG 3.28Å; V161-R165 PolarHBondContact O-N 3.23Å; V162-R165 WeakPolarHBondContact O-CB 3.46Å; V162-R165 PolarHBondContact O-N 3.5Å; F163-R165 PolarHBondContact O-N 3.23Å; R165-L167 VanDerWaalsContact C-N 3.29Å; R165-L167 PolarHBondContact O-N 2.95Å; R165-V168 PolarHBondContact O-N 2.88Å; R165-S169 PolarHBondContact O-N 2.83Å; R165-V197 WeakPolarHBondContact CD-O 3.27Å; R165-V197 WeakPolarHBondContact CG-O 3.17Å; R165-V197 PolarHBondContact NH1-O 3.1Å; R165-V197 WeakPolarHBondContact O-CG1 3.4Å; R165-P199 PolarHBondContact NE-O 2.77Å; R165-P199 PolarHBondContact NH1-O 3.12Å; R165-P199 VanDerWaalsContact NH1-O 3.13Å; R165-R202 PolarHBondContact NH1-O 3.03Å; R165-R202 PolarHBondContact NH2-O 2.98Å
166	L	98.3	Very high	97.6	Very high	18 Å²	18	27.5 Å²	27.5	9%	0.094	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-37.2	175.7	-69.1	175.7	0	0	0	111.9	L113 Y118 F126 V162 F163 S169 A170 E198	L113-L166 HydrophobicContact CD1-CB 3.84Å; Y118-L166 HydrophobicContact CD1-CD2 4.47Å; Y118-L166 HydrophobicContact CE1-CD2 4.15Å; F126-L166 HydrophobicContact CD2-CD1 4.11Å; V162-L166 HydrophobicContact CG1-CD1 4.07Å; V162-L166 HydrophobicContact CG1-CG 4.38Å; V162-L166 WeakPolarHBondContact O-CG 3.29Å; V162-L166 PolarHBondContact O-N 3.05Å; F163-L166 PolarHBondContact O-N 3.46Å; L166-S169 PolarHBondContact O-N 3.39Å; L166-A170 VanDerWaalsContact O-CB 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.33Å; L166-E198 HydrophobicContact CD2-CG 4.4Å
167	L	98.5	Very high	97.5	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-63.5	-43.2	174.6	-175.1	154.4	0	0	0	112.5	C109 F163 L164 R165 Y171 L212 A215 V216	C109-L167 HydrophobicContact CB-CB 4.43Å; C109-L167 HydrophobicContact CB-CD1 4.33Å; C109-L167 HydrophobicContact CB-CG 4.11Å; C109-L167 WeakPolarHBondContact SG-CA 3.38Å; F163-L167 HydrophobicContact CE1-CD1 4.23Å; F163-L167 WeakPolarHBondContact O-CB 3.36Å; F163-L167 PolarHBondContact O-N 2.83Å; L164-L167 PolarHBondContact O-N 3.48Å; R165-L167 VanDerWaalsContact C-N 3.29Å; R165-L167 PolarHBondContact O-N 2.95Å; L167-Y171 WeakPolarHBondContact O-CB 3.43Å; L167-Y171 PolarHBondContact O-N 3.38Å; L167-Y171 VanDerWaalsContact O-N 3.11Å; L167-L212 HydrophobicContact CD2-CD1 3.67Å; L167-A215 HydrophobicContact CD2-CB 3.38Å; L167-A215 HydrophobicContact CG-CB 4.47Å; L167-V216 HydrophobicContact CD1-CG1 4.2Å; L167-V216 HydrophobicContact CD2-CG1 3.85Å
168	V	98.5	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-46.4	172.7	170.9	0	0	0	0	110.9	Y79 L164 R165 A170 Y171 I172 V197 A211 L212	Y79-V168 HydrophobicContact CE1-CB 4.35Å; Y79-V168 HydrophobicContact CE1-CG2 3.76Å; L164-V168 PolarHBondContact O-N 3.23Å; R165-V168 PolarHBondContact O-N 2.88Å; V168-A170 PolarHBondContact O-N 3.47Å; V168-Y171 PolarHBondContact O-N 3.02Å; V168-I172 HydrophobicContact CG1-CD1 3.69Å; V168-I172 HydrophobicContact CG1-CG1 4.31Å; V168-I172 WeakPolarHBondContact O-CG1 3.15Å; V168-I172 PolarHBondContact O-N 2.97Å; V168-V197 HydrophobicContact CB-CG1 3.96Å; V168-V197 HydrophobicContact CG1-CG1 3.65Å; V168-A211 HydrophobicContact CG1-CB 3.86Å; V168-L212 HydrophobicContact CG2-CB 3.69Å; V168-L212 HydrophobicContact CG2-CD1 3.9Å; V168-L212 HydrophobicContact CG2-CG 4.28Å
169	S	98	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-49.3	178.5	179.3	0	0	0	0	111.9	R165 L166 Y171 I172 Q173 C193 E198	R165-S169 PolarHBondContact O-N 2.83Å; L166-S169 PolarHBondContact O-N 3.39Å; S169-Y171 VanDerWaalsContact C-N 3.28Å; S169-Y171 PolarHBondContact O-N 3.12Å; S169-I172 PolarHBondContact O-N 2.65Å; S169-Q173 WeakPolarHBondContact O-CB 3.37Å; S169-Q173 WeakPolarHBondContact O-CG 3.41Å; S169-Q173 PolarHBondContact O-N 3.38Å; S169-Q173 PolarHBondContact OG-NE2 3.2Å; S169-C193 VanDerWaalsContact OG-CB 3.28Å; S169-C193 WeakPolarHBondContact OG-CB 3.45Å; S169-C193 PolarHBondContact OG-SG 3.03Å; S169-E198 WeakPolarHBondContact CB-OE1 3.17Å; S169-E198 PolarHBondContact OG-OE1 3.01Å
170	A	97.9	Very high	97	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-56.6	-43.4	177.9	0	0	0	0	0	111.8	T112 L113 L166 V168 K174	T112-A170 HydrophobicContact CG2-CB 4.23Å; L113-A170 HydrophobicContact CD1-CB 4.46Å; L113-A170 HydrophobicContact CD2-CB 3.83Å; L113-A170 HydrophobicContact CG-CB 3.83Å; L166-A170 VanDerWaalsContact O-CB 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.33Å; V168-A170 PolarHBondContact O-N 3.47Å; A170-K174 VanDerWaalsContact O-CB 3.27Å; A170-K174 WeakPolarHBondContact O-CB 3.32Å; A170-K174 PolarHBondContact O-N 2.68Å
171	Y	97.8	Very high	96.8	Very high	48 Å²	48	30 Å²	30	19%	0.188	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-43.5	179.7	-167.6	-93.6	0	0	0	112.5	L167 V168 S169 K174 N175 F179 A211 L214 A215 L243	L167-Y171 WeakPolarHBondContact O-CB 3.43Å; L167-Y171 PolarHBondContact O-N 3.38Å; L167-Y171 VanDerWaalsContact O-N 3.11Å; V168-Y171 PolarHBondContact O-N 3.02Å; S169-Y171 VanDerWaalsContact C-N 3.28Å; S169-Y171 PolarHBondContact O-N 3.12Å; Y171-K174 PolarHBondContact O-N 3.39Å; Y171-N175 WeakPolarHBondContact CE1-ND2 3.25Å; Y171-N175 PolarHBondContact O-N 3.01Å; Y171-N175 VanDerWaalsContact O-N 3.14Å; Y171-N175 PolarHBondContact O-ND2 3.31Å; Y171-F179 AromaticContact CD1-CE2 3.81Å; Y171-F179 HydrophobicContact CD1-CE2 3.81Å; Y171-F179 HydrophobicContact CD1-CZ 4.04Å; Y171-F179 AromaticContact CE1-CE2 3.82Å; Y171-F179 HydrophobicContact CE1-CE2 3.82Å; Y171-F179 HydrophobicContact CE1-CZ 4.03Å; Y171-A211 HydrophobicContact CD1-CB 4.39Å; Y171-L214 HydrophobicContact CD1-CB 4.44Å; Y171-L214 HydrophobicContact CE1-CB 3.56Å; Y171-L214 HydrophobicContact CE1-CD1 4.14Å; Y171-L214 HydrophobicContact CE2-CB 4.47Å; Y171-L214 WeakPolarHBondContact OH-CB 3.27Å; Y171-A215 HydrophobicContact CD1-CB 4.34Å; Y171-A215 VanDerWaalsContact CD2-CA 3.43Å; Y171-A215 HydrophobicContact CD2-CB 3.53Å; Y171-A215 HydrophobicContact CE2-CB 4.24Å; Y171-A215 HydrophobicContact CG-CB 3.58Å; Y171-L243 HydrophobicContact CE1-CD1 4.36Å; Y171-L243 WeakPolarHBondContact OH-CD1 3.29Å
172	I	97.3	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-47.4	177.4	-70.3	176.5	0	0	0	110.1	V168 S169 K174 N175 A176 F179 I189 F192 V197 A211	V168-I172 HydrophobicContact CG1-CD1 3.69Å; V168-I172 HydrophobicContact CG1-CG1 4.31Å; V168-I172 WeakPolarHBondContact O-CG1 3.15Å; V168-I172 PolarHBondContact O-N 2.97Å; S169-I172 PolarHBondContact O-N 2.65Å; I172-K174 PolarHBondContact O-N 3.09Å; I172-N175 CarbonylContact O-C 3.51Å; I172-N175 PolarHBondContact O-N 3.21Å; I172-N175 VanDerWaalsContact O-N 3.15Å; I172-A176 WeakPolarHBondContact O-CA 3.48Å; I172-A176 PolarHBondContact O-N 3.36Å; I172-F179 HydrophobicContact CB-CD2 4.29Å; I172-F179 HydrophobicContact CB-CG 4.38Å; I172-F179 HydrophobicContact CG1-CD1 4.17Å; I172-F179 HydrophobicContact CG1-CD2 4.21Å; I172-F179 HydrophobicContact CG1-CE1 4.22Å; I172-F179 HydrophobicContact CG1-CE2 4.27Å; I172-F179 HydrophobicContact CG1-CG 4.17Å; I172-F179 HydrophobicContact CG1-CZ 4.27Å; I172-F179 HydrophobicContact CG2-CB 3.86Å; I172-F179 HydrophobicContact CG2-CD2 4.29Å; I172-F179 HydrophobicContact CG2-CG 4.01Å; I172-I189 HydrophobicContact CG2-CD1 3.86Å; I172-I189 HydrophobicContact CG2-CG2 3.86Å; I172-F192 HydrophobicContact CD1-CE1 4.08Å; I172-V197 HydrophobicContact CD1-CG2 4.11Å; I172-A211 HydrophobicContact CD1-CB 3.87Å; I172-A211 HydrophobicContact CG1-CB 3.6Å
173	Q	96.5	Very high	96.4	Very high	23 Å²	23	35 Å²	35	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-44.4	178.5	-71	-178.8	48.5	0	0	112.2	N116 Y118 S169 N175 A176 I189 C193	N116-Q173 PolarHBondContact ND2-OE1 3.44Å; Y118-Q173 PolarHBondContact OH-NE2 3.36Å; S169-Q173 WeakPolarHBondContact O-CB 3.37Å; S169-Q173 WeakPolarHBondContact O-CG 3.41Å; S169-Q173 PolarHBondContact O-N 3.38Å; S169-Q173 PolarHBondContact OG-NE2 3.2Å; Q173-N175 PolarHBondContact O-N 2.96Å; Q173-A176 WeakPolarHBondContact O-CB 3.43Å; Q173-A176 PolarHBondContact O-N 3.39Å; Q173-I189 HydrophobicContact CG-CG2 4.2Å; Q173-C193 HydrophobicContact CG-CB 4.5Å
174	K	95.6	Very high	96	Very high	131 Å²	131	40.2 Å²	40.2	57%	0.57	22%	0.218	S	C	*	.	H	α-helix	trans	-60.6	-30	177.1	-174.8	175.8	-178.4	172.9	0	112.8	T112 A170 Y171 I172	T112-K174 HydrophobicContact CG2-CB 4.3Å; A170-K174 VanDerWaalsContact O-CB 3.27Å; A170-K174 WeakPolarHBondContact O-CB 3.32Å; A170-K174 PolarHBondContact O-N 2.68Å; Y171-K174 PolarHBondContact O-N 3.39Å; I172-K174 PolarHBondContact O-N 3.09Å
175	N	95.5	Very high	95.4	Very high	35 Å²	35	49.8 Å²	49.8	19%	0.187	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	33.9	-178.5	-59.2	-79.6	0	0	0	111.6	Y171 I172 Q173 G177 Y178 F179 L243	Y171-N175 WeakPolarHBondContact CE1-ND2 3.25Å; Y171-N175 PolarHBondContact O-N 3.01Å; Y171-N175 VanDerWaalsContact O-N 3.14Å; Y171-N175 PolarHBondContact O-ND2 3.31Å; I172-N175 CarbonylContact O-C 3.51Å; I172-N175 PolarHBondContact O-N 3.21Å; I172-N175 VanDerWaalsContact O-N 3.15Å; Q173-N175 PolarHBondContact O-N 2.96Å; N175-G177 VanDerWaalsContact C-N 3.26Å; N175-G177 PolarHBondContact O-N 3.39Å; N175-G177 VanDerWaalsContact O-N 3.14Å; N175-Y178 WeakPolarHBondContact O-CB 3.36Å; N175-Y178 PolarHBondContact O-N 2.79Å; N175-F179 HydrophobicContact CB-CD2 3.79Å; N175-F179 HydrophobicContact CB-CE2 3.84Å; N175-F179 WeakPolarHBondContact O-CD2 3.41Å; N175-F179 PolarHBondContact O-N 3.23Å; N175-F179 VanDerWaalsContact O-N 3.17Å; N175-L243 HydrophobicContact CB-CD2 4.07Å
176	A	95.1	Very high	95	Very high	36 Å²	36	53.6 Å²	53.6	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-52.2	-40.8	-171.8	0	0	0	0	0	113.7	I172 Q173 Y178 F179 V180 I189	I172-A176 WeakPolarHBondContact O-CA 3.48Å; I172-A176 PolarHBondContact O-N 3.36Å; Q173-A176 WeakPolarHBondContact O-CB 3.43Å; Q173-A176 PolarHBondContact O-N 3.39Å; A176-Y178 PolarHBondContact O-N 3.44Å; A176-F179 PolarHBondContact O-N 3.2Å; A176-V180 WeakPolarHBondContact O-CB 3.48Å; A176-V180 PolarHBondContact O-N 3.41Å; A176-I189 HydrophobicContact CB-CB 4.05Å; A176-I189 HydrophobicContact CB-CG1 3.94Å; A176-I189 HydrophobicContact CB-CG2 3.93Å
177	G	94	Very high	94.7	Very high	59 Å²	59	55.9 Å²	55.9	61%	0.608	31%	0.311	S	S	*	.	H	α-helix	trans	-62.1	-27.5	179.7	0	0	0	0	0	114.3	N175 V180 N181	N175-G177 VanDerWaalsContact C-N 3.26Å; N175-G177 PolarHBondContact O-N 3.39Å; N175-G177 VanDerWaalsContact O-N 3.14Å; G177-V180 WeakPolarHBondContact O-CG1 3.28Å; G177-N181 PolarHBondContact O-ND2 2.96Å
178	Y	93.7	Very high	94.6	Very high	44 Å²	44	59.3 Å²	59.3	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-81.1	-49.9	172.8	174.5	-99	0	0	0	111	N175 A176 V180 N181 F182 L242 L243	N175-Y178 WeakPolarHBondContact O-CB 3.36Å; N175-Y178 PolarHBondContact O-N 2.79Å; A176-Y178 PolarHBondContact O-N 3.44Å; Y178-V180 VanDerWaalsContact C-N 3.33Å; Y178-V180 PolarHBondContact O-N 2.86Å; Y178-N181 PolarHBondContact O-N 3.03Å; Y178-N181 PolarHBondContact O-ND2 3.2Å; Y178-F182 HydrophobicContact CD1-CE2 4.1Å; Y178-F182 HydrophobicContact CD2-CE2 4.39Å; Y178-F182 HydrophobicContact CE1-CD2 4.42Å; Y178-F182 AromaticContact CE1-CE2 3.7Å; Y178-F182 HydrophobicContact CE1-CE2 3.7Å; Y178-F182 HydrophobicContact CE1-CZ 4.36Å; Y178-F182 HydrophobicContact CE2-CE2 4.02Å; Y178-F182 HydrophobicContact CE2-CZ 4.32Å; Y178-F182 HydrophobicContact CG-CE2 4.43Å; Y178-F182 AromaticContact CZ-CE2 3.65Å; Y178-F182 AromaticContact CZ-CZ 3.94Å; Y178-F182 WeakPolarHBondContact O-CD2 3.45Å; Y178-F182 WeakPolarHBondContact O-CE2 3.32Å; Y178-L242 HydrophobicContact CD2-CB 4.4Å; Y178-L242 HydrophobicContact CE2-CB 3.93Å; Y178-L242 HydrophobicContact CE2-CD1 4.11Å; Y178-L243 HydrophobicContact CD1-CD2 3.87Å; Y178-L243 HydrophobicContact CD1-CG 4.34Å; Y178-L243 HydrophobicContact CD2-CD2 3.91Å; Y178-L243 HydrophobicContact CD2-CG 4.29Å; Y178-L243 HydrophobicContact CG-CD2 3.45Å; Y178-L243 VanDerWaalsContact CG-CD2 3.45Å; Y178-L243 HydrophobicContact CG-CG 4.14Å
179	F	95.4	Very high	94.5	Very high	3 Å²	3	59.8 Å²	59.8	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-72.1	-22.7	-172.9	-77	-75.5	0	0	0	114.2	Y171 I172 N175 A176 N181 F182 I189 I207 A211 L214	Y171-F179 AromaticContact CD1-CE2 3.81Å; Y171-F179 HydrophobicContact CD1-CE2 3.81Å; Y171-F179 HydrophobicContact CD1-CZ 4.04Å; Y171-F179 AromaticContact CE1-CE2 3.82Å; Y171-F179 HydrophobicContact CE1-CE2 3.82Å; Y171-F179 HydrophobicContact CE1-CZ 4.03Å; I172-F179 HydrophobicContact CB-CD2 4.29Å; I172-F179 HydrophobicContact CB-CG 4.38Å; I172-F179 HydrophobicContact CG1-CD1 4.17Å; I172-F179 HydrophobicContact CG1-CD2 4.21Å; I172-F179 HydrophobicContact CG1-CE1 4.22Å; I172-F179 HydrophobicContact CG1-CE2 4.27Å; I172-F179 HydrophobicContact CG1-CG 4.17Å; I172-F179 HydrophobicContact CG1-CZ 4.27Å; I172-F179 HydrophobicContact CG2-CB 3.86Å; I172-F179 HydrophobicContact CG2-CD2 4.29Å; I172-F179 HydrophobicContact CG2-CG 4.01Å; N175-F179 HydrophobicContact CB-CD2 3.79Å; N175-F179 HydrophobicContact CB-CE2 3.84Å; N175-F179 WeakPolarHBondContact O-CD2 3.41Å; N175-F179 PolarHBondContact O-N 3.23Å; N175-F179 VanDerWaalsContact O-N 3.17Å; A176-F179 PolarHBondContact O-N 3.2Å; F179-N181 PolarHBondContact O-N 3Å; F179-N181 VanDerWaalsContact O-N 3.07Å; F179-F182 PolarHBondContact O-N 3.41Å; F179-I189 HydrophobicContact CB-CD1 3.61Å; F179-I207 HydrophobicContact CD1-CD1 4.04Å; F179-I207 HydrophobicContact CD1-CG1 3.84Å; F179-I207 HydrophobicContact CE1-CG1 4.14Å; F179-A211 HydrophobicContact CE1-CB 3.97Å; F179-A211 HydrophobicContact CZ-CB 3.83Å; F179-L214 HydrophobicContact CZ-CD1 4.43Å
180	V	95	Very high	94.4	Very high	69 Å²	69	63.7 Å²	63.7	42%	0.418	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-59	-24.4	178.9	70.3	0	0	0	0	112.4	A176 G177 Y178 F182 I189	A176-V180 WeakPolarHBondContact O-CB 3.48Å; A176-V180 PolarHBondContact O-N 3.41Å; G177-V180 WeakPolarHBondContact O-CG1 3.28Å; Y178-V180 VanDerWaalsContact C-N 3.33Å; Y178-V180 PolarHBondContact O-N 2.86Å; V180-F182 PolarHBondContact O-N 3.46Å; V180-I189 HydrophobicContact CB-CD1 4.46Å; V180-I189 HydrophobicContact CB-CG1 4.12Å
181	N	93.6	Very high	94.3	Very high	122 Å²	122	67.8 Å²	67.8	65%	0.652	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-78	-5.1	178.9	-53.2	-62	0	0	0	113.7	G177 Y178 F179	G177-N181 PolarHBondContact O-ND2 2.96Å; Y178-N181 PolarHBondContact O-N 3.03Å; Y178-N181 PolarHBondContact O-ND2 3.2Å; F179-N181 PolarHBondContact O-N 3Å; F179-N181 VanDerWaalsContact O-N 3.07Å
182	F	94	Very high	94.3	Very high	117 Å²	117	66.2 Å²	66.2	51%	0.513	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-119.4	3.5	-175.1	-57.6	-83.2	0	0	0	113.4	Y178 F179 V180 I207	Y178-F182 HydrophobicContact CD1-CE2 4.1Å; Y178-F182 HydrophobicContact CD2-CE2 4.39Å; Y178-F182 HydrophobicContact CE1-CD2 4.42Å; Y178-F182 AromaticContact CE1-CE2 3.7Å; Y178-F182 HydrophobicContact CE1-CE2 3.7Å; Y178-F182 HydrophobicContact CE1-CZ 4.36Å; Y178-F182 HydrophobicContact CE2-CE2 4.02Å; Y178-F182 HydrophobicContact CE2-CZ 4.32Å; Y178-F182 HydrophobicContact CG-CE2 4.43Å; Y178-F182 AromaticContact CZ-CE2 3.65Å; Y178-F182 AromaticContact CZ-CZ 3.94Å; Y178-F182 WeakPolarHBondContact O-CD2 3.45Å; Y178-F182 WeakPolarHBondContact O-CE2 3.32Å; F179-F182 PolarHBondContact O-N 3.41Å; V180-F182 PolarHBondContact O-N 3.46Å; F182-I207 HydrophobicContact CB-CD1 3.9Å; F182-I207 HydrophobicContact CB-CG1 4.5Å
183	I	94.2	Very high	94.3	Very high	21 Å²	21	66.2 Å²	66.2	11%	0.108	37%	0.368	C	S	.	.	S	Bend	trans	-107.4	161.4	177.7	66.4	171.3	0	0	0	110.4	K187 I189 F192 I207	I183-K187 HydrophobicContact CD1-CB 4.39Å; I183-K187 VanDerWaalsContact CD1-O 3.31Å; I183-K187 WeakPolarHBondContact CD1-O 3.37Å; I183-I189 HydrophobicContact CD1-CD1 3.91Å; I183-I189 HydrophobicContact CD1-CG1 4.17Å; I183-I189 HydrophobicContact CG2-CD1 4.3Å; I183-F192 HydrophobicContact CB-CB 4.48Å; I183-F192 HydrophobicContact CB-CD2 4.05Å; I183-F192 HydrophobicContact CB-CG 4.23Å; I183-F192 HydrophobicContact CD1-CB 4.09Å; I183-F192 HydrophobicContact CG2-CB 4.09Å; I183-F192 HydrophobicContact CG2-CD1 3.8Å; I183-F192 HydrophobicContact CG2-CD2 3.62Å; I183-F192 HydrophobicContact CG2-CE1 4.15Å; I183-F192 HydrophobicContact CG2-CE2 3.98Å; I183-F192 HydrophobicContact CG2-CG 3.53Å; I183-F192 HydrophobicContact CG2-CZ 4.25Å; I183-I207 HydrophobicContact CG2-CD1 3.73Å
184	D	89.6	Confident	94.3	Very high	111 Å²	111	70.5 Å²	70.5	59%	0.594	39%	0.389	S	S	*	.			trans	-58.2	141.2	179.2	-64	-35.3	0	0	0	112.3	G186 K187	D184-G186 PolarHBondContact O-N 3.2Å; D184-K187 PolarHBondContact O-N 3Å
185	E	87	Confident	94.4	Very high	203 Å²	203	66.9 Å²	66.9	95%	0.949	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	129.5	174.5	-67.4	-175.2	-179.1	0	0	110.7
186	G	88.9	Confident	94.4	Very high	81 Å²	81	67.8 Å²	67.8	84%	0.835	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-8.2	177.4	0	0	0	0	0	115.7	D184	D184-G186 PolarHBondContact O-N 3.2Å
187	K	93.3	Very high	94.6	Very high	65 Å²	65	66.1 Å²	66.1	28%	0.283	37%	0.366	S	S	.	.			trans	-92.8	139.8	167	-70.3	-176.5	179.6	175.2	0	110.5	I183 D184 E196	I183-K187 HydrophobicContact CD1-CB 4.39Å; I183-K187 VanDerWaalsContact CD1-O 3.31Å; I183-K187 WeakPolarHBondContact CD1-O 3.37Å; D184-K187 PolarHBondContact O-N 3Å; K187-E196 IonicContact NZ-OE1 3.41Å; K187-E196 PolarHBondContact NZ-OE1 3.02Å
188	T	96	Very high	94.7	Very high	75 Å²	75	65.3 Å²	65.3	46%	0.46	35%	0.347	S	S	.	.			trans	-78.7	163.5	163.7	70.5	0	0	0	0	110.3	N190 Q191 F192	T188-N190 VanDerWaalsContact C-N 3.28Å; T188-N190 PolarHBondContact O-N 3.01Å; T188-Q191 PolarHBondContact O-N 3.11Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.5Å; T188-Q191 PolarHBondContact OG1-N 3.19Å; T188-Q191 PolarHBondContact OG1-OE1 3.3Å; T188-F192 PolarHBondContact O-N 3.23Å
189	I	97	Very high	94.9	Very high	11 Å²	11	65.4 Å²	65.4	6%	0.056	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-40.3	175.3	-77.3	-73.9	0	0	0	112.1	I172 Q173 A176 F179 V180 I183 F192 C193	I172-I189 HydrophobicContact CG2-CD1 3.86Å; I172-I189 HydrophobicContact CG2-CG2 3.86Å; Q173-I189 HydrophobicContact CG-CG2 4.2Å; A176-I189 HydrophobicContact CB-CB 4.05Å; A176-I189 HydrophobicContact CB-CG1 3.94Å; A176-I189 HydrophobicContact CB-CG2 3.93Å; F179-I189 HydrophobicContact CB-CD1 3.61Å; V180-I189 HydrophobicContact CB-CD1 4.46Å; V180-I189 HydrophobicContact CB-CG1 4.12Å; I183-I189 HydrophobicContact CD1-CD1 3.91Å; I183-I189 HydrophobicContact CD1-CG1 4.17Å; I183-I189 HydrophobicContact CG2-CD1 4.3Å; I189-F192 PolarHBondContact O-N 3.29Å; I189-C193 PolarHBondContact O-N 3.47Å; I189-C193 PolarHBondContact O-SG 2.83Å
190	N	95.5	Very high	95	Very high	82 Å²	82	68.4 Å²	68.4	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-44.8	177.4	-67	4.7	0	0	0	110.9	T188 F192 C193 E194	T188-N190 VanDerWaalsContact C-N 3.28Å; T188-N190 PolarHBondContact O-N 3.01Å; N190-F192 VanDerWaalsContact C-N 3.32Å; N190-F192 PolarHBondContact O-N 2.67Å; N190-C193 PolarHBondContact O-N 2.94Å; N190-E194 WeakPolarHBondContact O-CB 3.32Å; N190-E194 VanDerWaalsContact O-CG 3.31Å; N190-E194 WeakPolarHBondContact O-CG 3.43Å; N190-E194 PolarHBondContact O-N 2.69Å
191	Q	96.4	Very high	95	Very high	88 Å²	88	67.4 Å²	67.4	41%	0.411	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-41	176.2	-73.9	171	-29.8	0	0	112	T188 E194 T195	T188-Q191 PolarHBondContact O-N 3.11Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.5Å; T188-Q191 PolarHBondContact OG1-N 3.19Å; T188-Q191 PolarHBondContact OG1-OE1 3.3Å; Q191-E194 PolarHBondContact O-N 3.28Å; Q191-T195 WeakPolarHBondContact O-CB 3.31Å; Q191-T195 WeakPolarHBondContact O-CG2 3.5Å; Q191-T195 PolarHBondContact O-N 3.3Å; Q191-T195 PolarHBondContact O-OG1 2.78Å
192	F	97.4	Very high	95	Very high	14 Å²	14	67.6 Å²	67.6	6%	0.061	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-47.7	174.6	175.2	-96.7	0	0	0	111.1	I172 I183 T188 I189 N190 E194 T195 E196 V197 I207 H208	I172-F192 HydrophobicContact CD1-CE1 4.08Å; I183-F192 HydrophobicContact CB-CB 4.48Å; I183-F192 HydrophobicContact CB-CD2 4.05Å; I183-F192 HydrophobicContact CB-CG 4.23Å; I183-F192 HydrophobicContact CD1-CB 4.09Å; I183-F192 HydrophobicContact CG2-CB 4.09Å; I183-F192 HydrophobicContact CG2-CD1 3.8Å; I183-F192 HydrophobicContact CG2-CD2 3.62Å; I183-F192 HydrophobicContact CG2-CE1 4.15Å; I183-F192 HydrophobicContact CG2-CE2 3.98Å; I183-F192 HydrophobicContact CG2-CG 3.53Å; I183-F192 HydrophobicContact CG2-CZ 4.25Å; T188-F192 PolarHBondContact O-N 3.23Å; I189-F192 PolarHBondContact O-N 3.29Å; N190-F192 VanDerWaalsContact C-N 3.32Å; N190-F192 PolarHBondContact O-N 2.67Å; F192-E194 PolarHBondContact O-N 3.4Å; F192-T195 PolarHBondContact O-N 2.99Å; F192-E196 HydrophobicContact CD2-CB 3.99Å; F192-E196 HydrophobicContact CD2-CG 3.73Å; F192-E196 HydrophobicContact CE2-CB 3.68Å; F192-E196 HydrophobicContact CE2-CG 3.71Å; F192-E196 HydrophobicContact CZ-CB 4.02Å; F192-E196 WeakPolarHBondContact O-CB 3.43Å; F192-E196 PolarHBondContact O-N 3.07Å; F192-V197 HydrophobicContact CD1-CG2 3.89Å; F192-V197 HydrophobicContact CE1-CG2 3.44Å; F192-V197 VanDerWaalsContact CE1-CG2 3.44Å; F192-V197 HydrophobicContact CZ-CG2 4.18Å; F192-I207 HydrophobicContact CE1-CD1 3.94Å; F192-I207 HydrophobicContact CE1-CG2 4.38Å; F192-I207 HydrophobicContact CZ-CD1 3.99Å; F192-I207 HydrophobicContact CZ-CG2 3.74Å; F192-H208 AromaticContact CZ-NE2 3.9Å
193	C	97.5	Very high	95	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.363	C	S	.	.	I	π-helix	trans	-59.5	-48.5	177.2	-75.3	0	0	0	0	112.5	S169 Q173 I189 N190 T195 V197 E198	S169-C193 VanDerWaalsContact OG-CB 3.28Å; S169-C193 WeakPolarHBondContact OG-CB 3.45Å; S169-C193 PolarHBondContact OG-SG 3.03Å; Q173-C193 HydrophobicContact CG-CB 4.5Å; I189-C193 PolarHBondContact O-N 3.47Å; I189-C193 PolarHBondContact O-SG 2.83Å; N190-C193 PolarHBondContact O-N 2.94Å; C193-T195 VanDerWaalsContact C-N 3.26Å; C193-T195 PolarHBondContact O-N 2.98Å; C193-V197 WeakPolarHBondContact O-CB 3.41Å; C193-V197 PolarHBondContact O-N 2.77Å; C193-E198 WeakPolarHBondContact O-CB 3.46Å; C193-E198 WeakPolarHBondContact O-CG 3.39Å; C193-E198 PolarHBondContact O-N 3.09Å
194	E	96.6	Very high	95.1	Very high	114 Å²	114	67.9 Å²	67.9	53%	0.533	36%	0.362	S	S	.	.	I	π-helix	trans	-63.9	-27.2	-179.3	-73	170.9	-175.8	0	0	113.2	N190 Q191 F192 P199	N190-E194 WeakPolarHBondContact O-CB 3.32Å; N190-E194 VanDerWaalsContact O-CG 3.31Å; N190-E194 WeakPolarHBondContact O-CG 3.43Å; N190-E194 PolarHBondContact O-N 2.69Å; Q191-E194 PolarHBondContact O-N 3.28Å; F192-E194 PolarHBondContact O-N 3.4Å; E194-P199 WeakPolarHBondContact O-CD 3.31Å; E194-P199 WeakPolarHBondContact O-CG 3.16Å
195	T	95.9	Very high	95.2	Very high	54 Å²	54	67.1 Å²	67.1	33%	0.331	36%	0.358	S	S	.	.	I	π-helix	trans	-106.5	-32.8	-172.6	56.8	0	0	0	0	114.8	Q191 F192 C193 R202	Q191-T195 WeakPolarHBondContact O-CB 3.31Å; Q191-T195 WeakPolarHBondContact O-CG2 3.5Å; Q191-T195 PolarHBondContact O-N 3.3Å; Q191-T195 PolarHBondContact O-OG1 2.78Å; F192-T195 PolarHBondContact O-N 2.99Å; C193-T195 VanDerWaalsContact C-N 3.26Å; C193-T195 PolarHBondContact O-N 2.98Å; T195-R202 PolarHBondContact O-NE 3.44Å
196	E	96.9	Very high	95.6	Very high	55 Å²	55	60.9 Å²	60.9	26%	0.257	33%	0.331	S	S	.	.	I	π-helix	trans	-114.3	-27.8	-172.7	-52	-56.7	158.1	0	0	113.2	K187 F192	K187-E196 IonicContact NZ-OE1 3.41Å; K187-E196 PolarHBondContact NZ-OE1 3.02Å; F192-E196 HydrophobicContact CD2-CB 3.99Å; F192-E196 HydrophobicContact CD2-CG 3.73Å; F192-E196 HydrophobicContact CE2-CB 3.68Å; F192-E196 HydrophobicContact CE2-CG 3.71Å; F192-E196 HydrophobicContact CZ-CB 4.02Å; F192-E196 WeakPolarHBondContact O-CB 3.43Å; F192-E196 PolarHBondContact O-N 3.07Å
197	V	97.9	Very high	96	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-98.7	-58	-173.7	-178.2	0	0	0	0	111.8	R165 V168 I172 F192 C193	R165-V197 WeakPolarHBondContact CD-O 3.27Å; R165-V197 WeakPolarHBondContact CG-O 3.17Å; R165-V197 PolarHBondContact NH1-O 3.1Å; R165-V197 WeakPolarHBondContact O-CG1 3.4Å; V168-V197 HydrophobicContact CB-CG1 3.96Å; V168-V197 HydrophobicContact CG1-CG1 3.65Å; I172-V197 HydrophobicContact CD1-CG2 4.11Å; F192-V197 HydrophobicContact CD1-CG2 3.89Å; F192-V197 HydrophobicContact CE1-CG2 3.44Å; F192-V197 VanDerWaalsContact CE1-CG2 3.44Å; F192-V197 HydrophobicContact CZ-CG2 4.18Å; C193-V197 WeakPolarHBondContact O-CB 3.41Å; C193-V197 PolarHBondContact O-N 2.77Å
198	E	97.6	Very high	96.2	Very high	42 Å²	42	55.4 Å²	55.4	20%	0.196	29%	0.285	C	S	.	.	S	Bend	trans	-70.8	-38.8	-170.2	-67.7	171.5	-158	0	0	114.4	Y118 L166 S169 C193 M200	Y118-E198 PolarHBondContact OH-OE1 2.73Å; L166-E198 HydrophobicContact CD2-CG 4.4Å; S169-E198 WeakPolarHBondContact CB-OE1 3.17Å; S169-E198 PolarHBondContact OG-OE1 3.01Å; C193-E198 WeakPolarHBondContact O-CB 3.46Å; C193-E198 WeakPolarHBondContact O-CG 3.39Å; C193-E198 PolarHBondContact O-N 3.09Å; E198-M200 PolarHBondContact O-N 2.82Å
199	P	97.7	Very high	96.3	Very high	46 Å²	46	51.8 Å²	51.8	30%	0.299	26%	0.263	S	S	.	.	S	Bend	trans	-64.4	139.5	-178.2	-22.5	34.6	0	0	0	112.3	R165 E194 R202	R165-P199 PolarHBondContact NE-O 2.77Å; R165-P199 PolarHBondContact NH1-O 3.12Å; R165-P199 VanDerWaalsContact NH1-O 3.13Å; E194-P199 WeakPolarHBondContact O-CD 3.31Å; E194-P199 WeakPolarHBondContact O-CG 3.16Å; P199-R202 HydrophobicContact CB-CG 3.83Å; P199-R202 HydrophobicContact CG-CG 4.39Å
200	M	97	Very high	96.3	Very high	67 Å²	67	52.5 Å²	52.5	33%	0.33	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	154.5	172.5	-70.6	-63.4	-76	0	0	111.3	D158 V161 V162 E198 R202	D158-M200 HydrophobicContact CB-CE 3.84Å; V161-M200 HydrophobicContact CB-CE 4.1Å; V161-M200 HydrophobicContact CB-SD 4.41Å; V161-M200 HydrophobicContact CG1-CE 3.72Å; V161-M200 HydrophobicContact CG1-SD 3.67Å; V162-M200 HydrophobicContact CG2-CE 4.27Å; V162-M200 HydrophobicContact CG2-CG 3.99Å; V162-M200 HydrophobicContact CG2-SD 3.48Å; V162-M200 WeakPolarHBondContact CG2-SD 3.47Å; E198-M200 PolarHBondContact O-N 2.82Å; M200-R202 PolarHBondContact O-N 2.85Å; M200-R202 VanDerWaalsContact O-N 3.12Å
201	A	94.8	Very high	96.4	Very high	48 Å²	48	48.6 Å²	48.6	40%	0.397	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	16.4	-179.6	0	0	0	0	0	115.2	D74 N76	D74-A201 WeakPolarHBondContact O-CA 3.43Å; D74-A201 WeakPolarHBondContact O-CB 3.43Å; N76-A201 PolarHBondContact OD1-N 2.86Å
202	R	94.5	Very high	96.5	Very high	125 Å²	125	44.4 Å²	44.4	47%	0.472	23%	0.23	S	C	.	.			trans	-85.3	129.3	168.4	-77.1	-65	-165.5	-153.4	-0.9	112	G75 R165 T195 P199 M200	G75-R202 CarbonylContact O-C 3.5Å; R165-R202 PolarHBondContact NH1-O 3.03Å; R165-R202 PolarHBondContact NH2-O 2.98Å; T195-R202 PolarHBondContact O-NE 3.44Å; P199-R202 HydrophobicContact CB-CG 3.83Å; P199-R202 HydrophobicContact CG-CG 4.39Å; M200-R202 PolarHBondContact O-N 2.85Å; M200-R202 VanDerWaalsContact O-N 3.12Å
203	E	93.4	Very high	96.5	Very high	133 Å²	133	43.8 Å²	43.8	62%	0.621	23%	0.228	S	C	*	.			trans	-58.4	148	177.5	-64.9	-171.8	174.6	0	0	112
204	S	95.9	Very high	96.5	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.084	23%	0.23	C	C	.	.			trans	-109.6	122.1	178.9	-57.2	0	0	0	0	110.6	Y79 Y291	Y79-S204 WeakPolarHBondContact CE2-OG 3.08Å; S204-Y291 WeakPolarHBondContact O-CE2 3.3Å; S204-Y291 PolarHBondContact O-OH 2.96Å
205	D	93.1	Very high	96.5	Very high	94 Å²	94	39.3 Å²	39.3	50%	0.503	21%	0.209	S	C	.	.			trans	-100.2	179.5	169.9	-160	11.2	0	0	0	112.6	I207 H208 V209	D205-I207 PolarHBondContact O-N 3.31Å; D205-H208 PolarHBondContact N-ND1 3.36Å; D205-H208 WeakPolarHBondContact O-CB 3.36Å; D205-H208 PolarHBondContact O-N 2.72Å; D205-H208 PolarHBondContact O-ND1 2.69Å; D205-V209 PolarHBondContact O-N 3.13Å
206	N	94.6	Very high	96.5	Very high	72 Å²	72	36.8 Å²	36.8	39%	0.385	19%	0.193	S	C	.	.	H	α-helix	trans	-48.6	-35.4	-176.5	-69.8	-27.5	0	0	0	114.6	H208 V209 A210 F236	N206-H208 VanDerWaalsContact C-N 3.3Å; N206-H208 PolarHBondContact O-N 2.96Å; N206-V209 PolarHBondContact O-N 3.45Å; N206-A210 WeakPolarHBondContact O-CB 3.25Å; N206-A210 PolarHBondContact O-N 3.46Å; N206-F236 HydrophobicContact CB-CE1 4.14Å; N206-F236 HydrophobicContact CB-CZ 4.09Å; N206-F236 WeakPolarHBondContact O-CE1 3.38Å; N206-F236 WeakPolarHBondContact OD1-CZ 3.41Å
207	I	96.6	Very high	96.5	Very high	24 Å²	24	35.2 Å²	35.2	12%	0.123	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-39.7	177.5	-170.6	173.1	0	0	0	112.2	F179 F182 I183 F192 D205 A211	F179-I207 HydrophobicContact CD1-CD1 4.04Å; F179-I207 HydrophobicContact CD1-CG1 3.84Å; F179-I207 HydrophobicContact CE1-CG1 4.14Å; F182-I207 HydrophobicContact CB-CD1 3.9Å; F182-I207 HydrophobicContact CB-CG1 4.5Å; I183-I207 HydrophobicContact CG2-CD1 3.73Å; F192-I207 HydrophobicContact CE1-CD1 3.94Å; F192-I207 HydrophobicContact CE1-CG2 4.38Å; F192-I207 HydrophobicContact CZ-CD1 3.99Å; F192-I207 HydrophobicContact CZ-CG2 3.74Å; D205-I207 PolarHBondContact O-N 3.31Å; I207-A211 VanDerWaalsContact O-CB 3.22Å; I207-A211 WeakPolarHBondContact O-CB 3.44Å; I207-A211 PolarHBondContact O-N 2.97Å
208	H	98	Very high	96.3	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.032	19%	0.186	C	C	.	.	H	α-helix	trans	-69.3	-42.7	177.8	-52.8	89.6	0	0	0	110.8	F78 Y79 F192 D205 N206 A211 L212	F78-H208 HydrophobicContact CE1-CB 4.34Å; Y79-H208 PolarHBondContact OH-CD2 3.19Å; F192-H208 AromaticContact CZ-NE2 3.9Å; D205-H208 PolarHBondContact N-ND1 3.36Å; D205-H208 WeakPolarHBondContact O-CB 3.36Å; D205-H208 PolarHBondContact O-N 2.72Å; D205-H208 PolarHBondContact O-ND1 2.69Å; N206-H208 VanDerWaalsContact C-N 3.3Å; N206-H208 PolarHBondContact O-N 2.96Å; H208-A211 PolarHBondContact O-N 2.9Å; H208-L212 WeakPolarHBondContact O-CB 3.35Å; H208-L212 PolarHBondContact O-N 3.03Å
209	V	97.8	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-46.2	178.9	-169.5	0	0	0	0	110.7	F78 D205 N206 L212 A213 I220 V222 F236	F78-V209 HydrophobicContact CD2-CG2 4.05Å; F78-V209 HydrophobicContact CE1-CG2 4.41Å; F78-V209 HydrophobicContact CE2-CB 4.12Å; F78-V209 HydrophobicContact CE2-CG1 3.87Å; F78-V209 HydrophobicContact CE2-CG2 3.69Å; F78-V209 HydrophobicContact CZ-CB 4.04Å; F78-V209 HydrophobicContact CZ-CG1 4.08Å; F78-V209 HydrophobicContact CZ-CG2 3.88Å; D205-V209 PolarHBondContact O-N 3.13Å; N206-V209 PolarHBondContact O-N 3.45Å; V209-L212 PolarHBondContact O-N 3.15Å; V209-A213 WeakPolarHBondContact O-CB 3.4Å; V209-A213 PolarHBondContact O-N 3.41Å; V209-I220 HydrophobicContact CG1-CB 4.33Å; V209-I220 HydrophobicContact CG1-CD1 4.2Å; V209-I220 HydrophobicContact CG1-CG2 4.02Å; V209-V222 HydrophobicContact CG1-CG2 4.25Å; V209-F236 HydrophobicContact CB-CD1 4.12Å; V209-F236 HydrophobicContact CB-CD2 4.19Å; V209-F236 HydrophobicContact CB-CE1 3.89Å; V209-F236 HydrophobicContact CB-CE2 3.98Å; V209-F236 HydrophobicContact CB-CG 4.24Å; V209-F236 HydrophobicContact CB-CZ 3.81Å; V209-F236 HydrophobicContact CG1-CB 4.34Å; V209-F236 HydrophobicContact CG1-CD1 4.05Å; V209-F236 HydrophobicContact CG1-CD2 3.39Å; V209-F236 HydrophobicContact CG1-CE1 4.17Å; V209-F236 HydrophobicContact CG1-CE2 3.55Å; V209-F236 HydrophobicContact CG1-CG 3.65Å; V209-F236 HydrophobicContact CG1-CZ 3.93Å; V209-F236 HydrophobicContact CG2-CZ 4.45Å
210	A	97	Very high	96.2	Very high	26 Å²	26	31.8 Å²	31.8	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-49.2	176.5	0	0	0	0	0	111.7	N206 L212 A213 L214 F236	N206-A210 WeakPolarHBondContact O-CB 3.25Å; N206-A210 PolarHBondContact O-N 3.46Å; A210-L212 VanDerWaalsContact C-N 3.32Å; A210-L212 PolarHBondContact O-N 3.35Å; A210-A213 PolarHBondContact O-N 3.2Å; A210-L214 WeakPolarHBondContact O-CB 3.26Å; A210-L214 WeakPolarHBondContact O-CG 3.41Å; A210-L214 PolarHBondContact O-N 3.36Å; A210-F236 HydrophobicContact CB-CD1 3.71Å; A210-F236 HydrophobicContact CB-CE1 4.05Å
211	A	97.9	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-42.4	179	0	0	0	0	0	111.8	V168 Y171 I172 F179 I207 H208 L214 A215	V168-A211 HydrophobicContact CG1-CB 3.86Å; Y171-A211 HydrophobicContact CD1-CB 4.39Å; I172-A211 HydrophobicContact CD1-CB 3.87Å; I172-A211 HydrophobicContact CG1-CB 3.6Å; F179-A211 HydrophobicContact CE1-CB 3.97Å; F179-A211 HydrophobicContact CZ-CB 3.83Å; I207-A211 VanDerWaalsContact O-CB 3.22Å; I207-A211 WeakPolarHBondContact O-CB 3.44Å; I207-A211 PolarHBondContact O-N 2.97Å; H208-A211 PolarHBondContact O-N 2.9Å; A211-L214 PolarHBondContact O-N 3.41Å; A211-A215 WeakPolarHBondContact O-CB 3.32Å; A211-A215 PolarHBondContact O-N 2.89Å
212	L	98.4	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-47.8	177.3	-173.6	56.3	0	0	0	112	F78 F82 L164 L167 V168 H208 V209 A210 L214 A215 V216	F78-L212 HydrophobicContact CE1-CB 4.29Å; F78-L212 HydrophobicContact CE1-CD2 3.62Å; F78-L212 HydrophobicContact CE2-CD2 4.44Å; F78-L212 HydrophobicContact CZ-CB 4.08Å; F78-L212 HydrophobicContact CZ-CD2 3.44Å; F78-L212 VanDerWaalsContact CZ-CD2 3.44Å; F78-L212 HydrophobicContact CZ-CG 4.36Å; F82-L212 HydrophobicContact CB-CD2 3.92Å; F82-L212 HydrophobicContact CD1-CD1 4.43Å; F82-L212 HydrophobicContact CD1-CD2 3.56Å; F82-L212 HydrophobicContact CD1-CG 4.25Å; F82-L212 HydrophobicContact CD2-CD2 3.8Å; F82-L212 HydrophobicContact CD2-CG 4.31Å; F82-L212 HydrophobicContact CE1-CD1 4.14Å; F82-L212 HydrophobicContact CE1-CD2 4.01Å; F82-L212 HydrophobicContact CE1-CG 4.19Å; F82-L212 HydrophobicContact CE2-CD2 4.21Å; F82-L212 HydrophobicContact CE2-CG 4.23Å; F82-L212 HydrophobicContact CG-CD2 3.45Å; F82-L212 VanDerWaalsContact CG-CD2 3.45Å; F82-L212 HydrophobicContact CG-CG 4.31Å; F82-L212 HydrophobicContact CZ-CD1 4.42Å; F82-L212 HydrophobicContact CZ-CD2 4.32Å; F82-L212 HydrophobicContact CZ-CG 4.19Å; L164-L212 HydrophobicContact CD2-CD1 4.33Å; L167-L212 HydrophobicContact CD2-CD1 3.67Å; V168-L212 HydrophobicContact CG2-CB 3.69Å; V168-L212 HydrophobicContact CG2-CD1 3.9Å; V168-L212 HydrophobicContact CG2-CG 4.28Å; H208-L212 WeakPolarHBondContact O-CB 3.35Å; H208-L212 PolarHBondContact O-N 3.03Å; V209-L212 PolarHBondContact O-N 3.15Å; A210-L212 VanDerWaalsContact C-N 3.32Å; A210-L212 PolarHBondContact O-N 3.35Å; L212-L214 VanDerWaalsContact C-N 3.29Å; L212-L214 PolarHBondContact O-N 3.26Å; L212-A215 PolarHBondContact O-N 3.49Å; L212-V216 HydrophobicContact CD1-CG1 3.97Å; L212-V216 WeakPolarHBondContact O-CG2 3.33Å; L212-V216 PolarHBondContact O-N 3.04Å
213	A	97.5	Very high	96.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.3	-44.3	178.3	0	0	0	0	0	111.9	V209 A210 E217 L218 I220 F236	V209-A213 WeakPolarHBondContact O-CB 3.4Å; V209-A213 PolarHBondContact O-N 3.41Å; A210-A213 PolarHBondContact O-N 3.2Å; A213-E217 WeakPolarHBondContact O-CA 3.44Å; A213-E217 PolarHBondContact O-N 3.31Å; A213-E217 VanDerWaalsContact O-N 3.11Å; A213-L218 WeakPolarHBondContact CA-O 3.37Å; A213-L218 WeakPolarHBondContact CB-O 3.25Å; A213-L218 PolarHBondContact O-N 2.79Å; A213-I220 HydrophobicContact CB-CD1 3.89Å; A213-I220 HydrophobicContact CB-CG1 4Å; A213-F236 HydrophobicContact CB-CB 3.91Å
214	L	96.8	Very high	96.4	Very high	11 Å²	11	16.6 Å²	16.6	6%	0.058	9%	0.092	C	C	.	.	H	α-helix	trans	-70.9	-40.3	178.1	-67.1	170.5	0	0	0	112.5	Y171 F179 A210 A211 L212 V216 E217 Y239 L243	Y171-L214 HydrophobicContact CD1-CB 4.44Å; Y171-L214 HydrophobicContact CE1-CB 3.56Å; Y171-L214 HydrophobicContact CE1-CD1 4.14Å; Y171-L214 HydrophobicContact CE2-CB 4.47Å; Y171-L214 WeakPolarHBondContact OH-CB 3.27Å; F179-L214 HydrophobicContact CZ-CD1 4.43Å; A210-L214 WeakPolarHBondContact O-CB 3.26Å; A210-L214 WeakPolarHBondContact O-CG 3.41Å; A210-L214 PolarHBondContact O-N 3.36Å; A211-L214 PolarHBondContact O-N 3.41Å; L212-L214 VanDerWaalsContact C-N 3.29Å; L212-L214 PolarHBondContact O-N 3.26Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-V216 PolarHBondContact O-N 2.98Å; L214-E217 PolarHBondContact O-N 3.16Å; L214-Y239 VanDerWaalsContact CD2-C 3.44Å; L214-L243 HydrophobicContact CD1-CD1 4.02Å
215	A	97.2	Very high	96.3	Very high	10 Å²	10	16 Å²	16	8%	0.083	9%	0.088	C	C	.	.	H	α-helix	trans	-64.3	-39.2	-179	0	0	0	0	0	112.7	L167 Y171 A211 L212	L167-A215 HydrophobicContact CD2-CB 3.38Å; L167-A215 HydrophobicContact CG-CB 4.47Å; Y171-A215 HydrophobicContact CD1-CB 4.34Å; Y171-A215 VanDerWaalsContact CD2-CA 3.43Å; Y171-A215 HydrophobicContact CD2-CB 3.53Å; Y171-A215 HydrophobicContact CE2-CB 4.24Å; Y171-A215 HydrophobicContact CG-CB 3.58Å; A211-A215 WeakPolarHBondContact O-CB 3.32Å; A211-A215 PolarHBondContact O-N 2.89Å; L212-A215 PolarHBondContact O-N 3.49Å
216	V	96.9	Very high	96.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	0.5	-178.7	-54.8	0	0	0	0	113.6	F82 R101 F102 L167 L212 L214 L218	F82-V216 HydrophobicContact CE2-CG2 4.05Å; F82-V216 HydrophobicContact CZ-CB 4.33Å; F82-V216 HydrophobicContact CZ-CG1 4.23Å; F82-V216 HydrophobicContact CZ-CG2 3.56Å; R101-V216 PolarHBondContact NH2-O 3.08Å; F102-V216 HydrophobicContact CD2-CB 4.18Å; F102-V216 HydrophobicContact CD2-CG1 4.14Å; F102-V216 HydrophobicContact CE2-CB 4.04Å; F102-V216 HydrophobicContact CE2-CG1 3.55Å; L167-V216 HydrophobicContact CD1-CG1 4.2Å; L167-V216 HydrophobicContact CD2-CG1 3.85Å; L212-V216 HydrophobicContact CD1-CG1 3.97Å; L212-V216 WeakPolarHBondContact O-CG2 3.33Å; L212-V216 PolarHBondContact O-N 3.04Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-V216 PolarHBondContact O-N 2.98Å; V216-L218 VanDerWaalsContact C-N 3.29Å; V216-L218 HydrophobicContact CG2-CB 3.54Å; V216-L218 PolarHBondContact O-N 3.17Å
217	E	95.7	Very high	95.5	Very high	22 Å²	22	17.6 Å²	17.6	10%	0.103	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	45.6	-176.3	-65.2	175.2	178.9	0	0	112.1	K105 A213 L214 A238 Y239	K105-E217 WeakPolarHBondContact CE-OE1 3.47Å; K105-E217 WeakPolarHBondContact CE-OE2 3.18Å; K105-E217 VanDerWaalsContact NZ-CD 3.33Å; K105-E217 IonicContact NZ-OE1 3.79Å; K105-E217 PolarHBondContact NZ-OE1 3.09Å; K105-E217 IonicContact NZ-OE2 3.6Å; A213-E217 WeakPolarHBondContact O-CA 3.44Å; A213-E217 PolarHBondContact O-N 3.31Å; A213-E217 VanDerWaalsContact O-N 3.11Å; L214-E217 PolarHBondContact O-N 3.16Å; E217-A238 WeakPolarHBondContact O-CB 3.39Å; E217-Y239 HydrophobicContact CB-CE1 4.45Å; E217-Y239 HydrophobicContact CB-CE2 4.32Å; E217-Y239 HydrophobicContact CG-CE1 3.98Å; E217-Y239 PolarHBondContact OE2-OH 2.75Å
218	L	94.7	Very high	95	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.			trans	-130.9	126.8	-176.2	-165.5	78.2	0	0	0	111	F82 Y86 A213 V216 F269 P281 V282	F82-L218 HydrophobicContact CE2-CD2 3.86Å; F82-L218 HydrophobicContact CZ-CD2 4.2Å; Y86-L218 HydrophobicContact CD1-CD2 3.99Å; Y86-L218 HydrophobicContact CD2-CD1 4.3Å; Y86-L218 HydrophobicContact CD2-CD2 3.49Å; Y86-L218 VanDerWaalsContact CD2-CD2 3.49Å; Y86-L218 HydrophobicContact CE1-CD2 4.03Å; Y86-L218 HydrophobicContact CE2-CD1 3.58Å; Y86-L218 HydrophobicContact CE2-CD2 3.57Å; Y86-L218 HydrophobicContact CE2-CG 4.22Å; Y86-L218 HydrophobicContact CG-CD2 3.73Å; A213-L218 WeakPolarHBondContact CA-O 3.37Å; A213-L218 WeakPolarHBondContact CB-O 3.25Å; A213-L218 PolarHBondContact O-N 2.79Å; V216-L218 VanDerWaalsContact C-N 3.29Å; V216-L218 HydrophobicContact CG2-CB 3.54Å; V216-L218 PolarHBondContact O-N 3.17Å; L218-F269 HydrophobicContact CD1-CE1 4.46Å; L218-P281 HydrophobicContact CD1-CB 4.22Å; L218-P281 HydrophobicContact CD1-CG 3.85Å; L218-P281 HydrophobicContact CD2-CB 4.27Å; L218-V282 HydrophobicContact CD2-CG2 3.98Å
219	P	95.2	Very high	94.3	Very high	16 Å²	16	23 Å²	23	10%	0.104	14%	0.14	C	C	.	.			trans	-68.9	138	175.5	29.1	-32.8	0	0	0	110.9	F236 Y273 P280	P219-F236 VanDerWaalsContact CA-O 3.29Å; P219-F236 WeakPolarHBondContact CA-O 3.44Å; P219-Y273 HydrophobicContact CG-CD1 4.47Å; P219-Y273 HydrophobicContact CG-CE1 4.11Å; P219-P280 HydrophobicContact CB-CB 4.5Å; P219-P280 HydrophobicContact CG-CB 4.21Å
220	I	97	Very high	94	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.5	175.4	-56.9	174.7	0	0	0	108.2	F82 V209 A213 V222 F236 V282 L284	F82-I220 HydrophobicContact CD2-CD1 3.65Å; F82-I220 HydrophobicContact CD2-CG1 4.26Å; F82-I220 HydrophobicContact CE2-CD1 3.8Å; F82-I220 HydrophobicContact CE2-CG1 4.24Å; V209-I220 HydrophobicContact CG1-CB 4.33Å; V209-I220 HydrophobicContact CG1-CD1 4.2Å; V209-I220 HydrophobicContact CG1-CG2 4.02Å; A213-I220 HydrophobicContact CB-CD1 3.89Å; A213-I220 HydrophobicContact CB-CG1 4Å; I220-V222 HydrophobicContact CG2-CG2 4.25Å; I220-F236 HydrophobicContact CB-CB 4.27Å; I220-F236 PolarHBondContact N-O 3.04Å; I220-F236 PolarHBondContact O-N 3.19Å; I220-V282 HydrophobicContact CG2-CG1 4.25Å; I220-L284 HydrophobicContact CG2-CD1 4.31Å; I220-L284 HydrophobicContact CG2-CG 4.46Å
221	Y	96.8	Very high	93.8	Very high	30 Å²	30	31 Å²	31	12%	0.118	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.1	170.4	-73.2	0.3	0	0	0	110.3	R233 E235 P280 V282 T283 L284	Y221-R233 VanDerWaalsContact CD2-CD 3.46Å; Y221-R233 HydrophobicContact CD2-CG 4.42Å; Y221-R233 HydrophobicContact CG-CG 4.23Å; Y221-E235 HydrophobicContact CD1-CB 3.91Å; Y221-E235 HydrophobicContact CD1-CG 3.63Å; Y221-E235 HydrophobicContact CE1-CB 3.67Å; Y221-E235 HydrophobicContact CE1-CG 3.35Å; Y221-E235 WeakPolarHBondContact CE1-OE2 3.44Å; Y221-E235 HydrophobicContact CG-CG 4.39Å; Y221-E235 VanDerWaalsContact CZ-OE2 3.3Å; Y221-E235 VanDerWaalsContact OH-CD 3.27Å; Y221-E235 PolarHBondContact OH-OE1 3.15Å; Y221-E235 PolarHBondContact OH-OE2 3.06Å; Y221-P280 HydrophobicContact CD1-CG 3.87Å; Y221-P280 HydrophobicContact CD2-CG 3.31Å; Y221-P280 HydrophobicContact CE1-CG 4.29Å; Y221-P280 HydrophobicContact CE2-CG 3.8Å; Y221-P280 HydrophobicContact CG-CB 4.5Å; Y221-P280 HydrophobicContact CG-CG 3.37Å; Y221-V282 PolarHBondContact N-O 2.91Å; Y221-V282 VanDerWaalsContact N-O 3.09Å; Y221-T283 CarbonylContact O-C 3.59Å; Y221-T283 WeakPolarHBondContact O-CA 3.31Å; Y221-L284 PolarHBondContact O-N 3.3Å
222	V	97.2	Very high	93.5	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	114	174.6	-178.6	0	0	0	0	108.3	V209 I220 N224 R233 I234 F236 L284 Y286 Y291	V209-V222 HydrophobicContact CG1-CG2 4.25Å; I220-V222 HydrophobicContact CG2-CG2 4.25Å; V222-N224 PolarHBondContact O-N 2.83Å; V222-R233 CarbonylContact O-C 3.57Å; V222-R233 WeakPolarHBondContact O-CA 3.44Å; V222-I234 HydrophobicContact CB-CB 4.45Å; V222-I234 PolarHBondContact N-O 2.99Å; V222-I234 PolarHBondContact O-N 2.92Å; V222-F236 HydrophobicContact CB-CE2 4.22Å; V222-F236 HydrophobicContact CG2-CD2 4.01Å; V222-F236 HydrophobicContact CG2-CE2 3.69Å; V222-L284 CarbonylContact C-O 3.56Å; V222-L284 WeakPolarHBondContact CA-O 3.44Å; V222-L284 HydrophobicContact CG2-CB 4.4Å; V222-Y286 VanDerWaalsContact CG1-CB 3.45Å; V222-Y291 HydrophobicContact CG1-CE1 4.05Å; V222-Y291 HydrophobicContact CG2-CE1 4.33Å
223	E	96	Very high	93.4	Very high	9 Å²	9	38.6 Å²	38.6	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	106.3	166.7	-67.8	-63.8	154.7	0	0	108.1	Y65 C225 L231 R233 L284 L285 Y286 L294	Y65-E223 HydrophobicContact CE2-CG 3.72Å; Y65-E223 VanDerWaalsContact OH-CD 3.29Å; Y65-E223 WeakPolarHBondContact OH-CG 3.22Å; Y65-E223 PolarHBondContact OH-OE1 3.31Å; E223-C225 PolarHBondContact O-N 3.17Å; E223-L231 HydrophobicContact CB-CD1 4.43Å; E223-R233 IonicContact OE1-CZ 2.78Å; E223-R233 IonicContact OE1-NE 3.77Å; E223-R233 PolarHBondContact OE1-NE 3.16Å; E223-R233 IonicContact OE1-NH2 3.02Å; E223-R233 PolarHBondContact OE1-NH2 2.83Å; E223-L284 PolarHBondContact N-O 2.98Å; E223-L285 HydrophobicContact CB-CD1 4.39Å; E223-Y286 PolarHBondContact O-N 3.39Å; E223-L294 HydrophobicContact CB-CD1 3.77Å; E223-L294 HydrophobicContact CG-CD1 3.65Å
224	N	94.4	Very high	93.2	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	105.5	-178.2	-178.2	13.9	0	0	0	110.3	V222 Q226 N232 I234 Y286	V222-N224 PolarHBondContact O-N 2.83Å; N224-Q226 PolarHBondContact ND2-OE1 3.36Å; N224-Q226 VanDerWaalsContact ND2-OE1 3.12Å; N224-Q226 WeakPolarHBondContact OD1-CG 3.23Å; N224-Q226 PolarHBondContact OD1-N 3.28Å; N224-N232 WeakPolarHBondContact CB-O 3.47Å; N224-N232 PolarHBondContact N-O 3.07Å; N224-N232 PolarHBondContact ND2-OD1 3.44Å; N224-I234 HydrophobicContact CB-CD1 3.96Å; N224-I234 HydrophobicContact CB-CG1 4.23Å; N224-Y286 WeakPolarHBondContact OD1-CD1 3.24Å
225	C	92.8	Very high	93.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.			trans	-107	59.7	177.9	-162.7	0	0	0	0	110.5	Y54 E223 L231 L285 Y286	Y54-C225 VanDerWaalsContact CE1-O 3.28Å; Y54-C225 WeakPolarHBondContact CE1-O 3.37Å; E223-C225 PolarHBondContact O-N 3.17Å; C225-L231 HydrophobicContact CB-CD1 4.35Å; C225-L285 HydrophobicContact CB-CD1 3.63Å; C225-Y286 WeakPolarHBondContact CA-O 3.31Å; C225-Y286 WeakPolarHBondContact CB-O 3.31Å; C225-Y286 PolarHBondContact N-O 3.02Å
226	Q	89.1	Confident	93.1	Very high	68 Å²	68	45.7 Å²	45.7	32%	0.318	24%	0.24	S	C	.	.			trans	-78.6	163.3	169.1	-82	168.9	-12.6	0	0	111.9	K57 N224 S228 Y286	K57-Q226 WeakPolarHBondContact CE-O 3.18Å; K57-Q226 PolarHBondContact NZ-O 3.36Å; N224-Q226 PolarHBondContact ND2-OE1 3.36Å; N224-Q226 VanDerWaalsContact ND2-OE1 3.12Å; N224-Q226 WeakPolarHBondContact OD1-CG 3.23Å; N224-Q226 PolarHBondContact OD1-N 3.28Å; Q226-S228 VanDerWaalsContact C-N 3.33Å; Q226-Y286 HydrophobicContact CG-CD1 4.26Å; Q226-Y286 HydrophobicContact CG-CE1 3.84Å
227	Q	83.6	Confident	92.9	Very high	132 Å²	132	49.3 Å²	49.3	62%	0.617	26%	0.263	S	S	*	.	S	Bend	trans	-66.4	-37.9	177	-170.9	174.8	0.5	0	0	112	Y54	Y54-Q227 WeakPolarHBondContact OH-CB 3.07Å; Y54-Q227 PolarHBondContact OH-N 3.1Å
228	S	84.7	Confident	92.7	Very high	83 Å²	83	48.7 Å²	48.7	58%	0.58	26%	0.262	S	S	*	.	S	Bend	trans	-79.9	153.1	177	50.6	0	0	0	0	111.7	K57 Q226	K57-S228 PolarHBondContact NZ-O 3.44Å; Q226-S228 VanDerWaalsContact C-N 3.33Å
229	G	84.8	Confident	92.4	Very high	61 Å²	61	52.5 Å²	52.5	63%	0.629	28%	0.277	S	S	*	.	S	Bend	trans	67.6	-176.5	174.1	0	0	0	0	0	114.1	K57	K57-G229 WeakPolarHBondContact CE-O 3.14Å; K57-G229 PolarHBondContact NZ-O 2.87Å
230	E	90	Very high	91.7	Very high	166 Å²	166	52.8 Å²	52.8	78%	0.776	28%	0.279	S	S	*	.			trans	-78	171.9	176.3	-62.6	-175.7	168.8	0	0	111.1	K57 N232	K57-E230 VanDerWaalsContact CE-C 3.49Å; K57-E230 VanDerWaalsContact NZ-C 3.3Å; K57-E230 PolarHBondContact NZ-O 3.32Å; E230-N232 PolarHBondContact O-N 3.3Å
231	L	92.4	Very high	90.8	Very high	28 Å²	28	58.9 Å²	58.9	15%	0.147	31%	0.312	C	S	.	.			trans	-68.2	121.5	162.9	177.4	70.7	0	0	0	107	K57 L60 M61 E223 C225	K57-L231 HydrophobicContact CB-CB 4.15Å; K57-L231 HydrophobicContact CB-CD1 4.45Å; K57-L231 HydrophobicContact CD-CB 4.1Å; K57-L231 HydrophobicContact CG-CB 3.91Å; L60-L231 HydrophobicContact CB-CD2 3.84Å; L60-L231 HydrophobicContact CD1-CB 4.35Å; M61-L231 HydrophobicContact CG-CD1 4.1Å; M61-L231 HydrophobicContact CG-CD2 3.52Å; M61-L231 HydrophobicContact CG-CG 4.48Å; M61-L231 HydrophobicContact SD-CD1 4.27Å; E223-L231 HydrophobicContact CB-CD1 4.43Å; C225-L231 HydrophobicContact CB-CD1 4.35Å
232	N	93.2	Very high	89.7	Confident	69 Å²	69	62.6 Å²	62.6	37%	0.369	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.1	178.9	74.2	-76.6	0	0	0	111	N224 E230	N224-N232 WeakPolarHBondContact CB-O 3.47Å; N224-N232 PolarHBondContact N-O 3.07Å; N224-N232 PolarHBondContact ND2-OD1 3.44Å; E230-N232 PolarHBondContact O-N 3.3Å
233	R	94.6	Very high	88.4	Confident	90 Å²	90	63.5 Å²	63.5	34%	0.34	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.8	170.2	-178.9	178	-66.3	170.3	5.3	109.8	Y65 Y221 V222 E223 E235	Y65-R233 PolarHBondContact OH-NH2 2.79Å; Y221-R233 VanDerWaalsContact CD2-CD 3.46Å; Y221-R233 HydrophobicContact CD2-CG 4.42Å; Y221-R233 HydrophobicContact CG-CG 4.23Å; V222-R233 CarbonylContact O-C 3.57Å; V222-R233 WeakPolarHBondContact O-CA 3.44Å; E223-R233 IonicContact OE1-CZ 2.78Å; E223-R233 IonicContact OE1-NE 3.77Å; E223-R233 PolarHBondContact OE1-NE 3.16Å; E223-R233 IonicContact OE1-NH2 3.02Å; E223-R233 PolarHBondContact OE1-NH2 2.83Å; R233-E235 HydrophobicContact CG-CG 4.03Å
234	I	95.1	Very high	86.8	Confident	43 Å²	43	68.8 Å²	68.8	22%	0.221	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125	165.9	-53.5	174.8	0	0	0	106.9	V222 N224 F236	V222-I234 HydrophobicContact CB-CB 4.45Å; V222-I234 PolarHBondContact N-O 2.99Å; V222-I234 PolarHBondContact O-N 2.92Å; N224-I234 HydrophobicContact CB-CD1 3.96Å; N224-I234 HydrophobicContact CB-CG1 4.23Å; I234-F236 HydrophobicContact CB-CE2 4.08Å; I234-F236 HydrophobicContact CG2-CD2 4.13Å; I234-F236 HydrophobicContact CG2-CE1 4.42Å; I234-F236 HydrophobicContact CG2-CE2 3.49Å; I234-F236 VanDerWaalsContact CG2-CE2 3.49Å; I234-F236 HydrophobicContact CG2-CZ 3.67Å
235	E	95	Very high	84.7	Confident	111 Å²	111	74.3 Å²	74.3	52%	0.519	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.3	177.6	-57.5	-165	-167.7	0	0	109.6	Y221 R233	Y221-E235 HydrophobicContact CD1-CB 3.91Å; Y221-E235 HydrophobicContact CD1-CG 3.63Å; Y221-E235 HydrophobicContact CE1-CB 3.67Å; Y221-E235 HydrophobicContact CE1-CG 3.35Å; Y221-E235 WeakPolarHBondContact CE1-OE2 3.44Å; Y221-E235 HydrophobicContact CG-CG 4.39Å; Y221-E235 VanDerWaalsContact CZ-OE2 3.3Å; Y221-E235 VanDerWaalsContact OH-CD 3.27Å; Y221-E235 PolarHBondContact OH-OE1 3.15Å; Y221-E235 PolarHBondContact OH-OE2 3.06Å; R233-E235 HydrophobicContact CG-CG 4.03Å
236	F	95.4	Very high	82.4	Confident	17 Å²	17	79.8 Å²	79.8	8%	0.075	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.8	171.2	-64.9	-88.1	0	0	0	108.3	N206 V209 A210 A213 P219 I220 V222 I234	N206-F236 HydrophobicContact CB-CE1 4.14Å; N206-F236 HydrophobicContact CB-CZ 4.09Å; N206-F236 WeakPolarHBondContact O-CE1 3.38Å; N206-F236 WeakPolarHBondContact OD1-CZ 3.41Å; V209-F236 HydrophobicContact CB-CD1 4.12Å; V209-F236 HydrophobicContact CB-CD2 4.19Å; V209-F236 HydrophobicContact CB-CE1 3.89Å; V209-F236 HydrophobicContact CB-CE2 3.98Å; V209-F236 HydrophobicContact CB-CG 4.24Å; V209-F236 HydrophobicContact CB-CZ 3.81Å; V209-F236 HydrophobicContact CG1-CB 4.34Å; V209-F236 HydrophobicContact CG1-CD1 4.05Å; V209-F236 HydrophobicContact CG1-CD2 3.39Å; V209-F236 HydrophobicContact CG1-CE1 4.17Å; V209-F236 HydrophobicContact CG1-CE2 3.55Å; V209-F236 HydrophobicContact CG1-CG 3.65Å; V209-F236 HydrophobicContact CG1-CZ 3.93Å; V209-F236 HydrophobicContact CG2-CZ 4.45Å; A210-F236 HydrophobicContact CB-CD1 3.71Å; A210-F236 HydrophobicContact CB-CE1 4.05Å; A213-F236 HydrophobicContact CB-CB 3.91Å; P219-F236 VanDerWaalsContact CA-O 3.29Å; P219-F236 WeakPolarHBondContact CA-O 3.44Å; I220-F236 HydrophobicContact CB-CB 4.27Å; I220-F236 PolarHBondContact N-O 3.04Å; I220-F236 PolarHBondContact O-N 3.19Å; V222-F236 HydrophobicContact CB-CE2 4.22Å; V222-F236 HydrophobicContact CG2-CD2 4.01Å; V222-F236 HydrophobicContact CG2-CE2 3.69Å; I234-F236 HydrophobicContact CB-CE2 4.08Å; I234-F236 HydrophobicContact CG2-CD2 4.13Å; I234-F236 HydrophobicContact CG2-CE1 4.42Å; I234-F236 HydrophobicContact CG2-CE2 3.49Å; I234-F236 VanDerWaalsContact CG2-CE2 3.49Å; I234-F236 HydrophobicContact CG2-CZ 3.67Å
237	P	93.5	Very high	80.4	Confident	76 Å²	76	82.3 Å²	82.3	49%	0.494	44%	0.444	S	S	.	.			trans	-75.2	155.9	-175.8	32.5	-36.3	0	0	0	111.2	Y239	P237-Y239 WeakPolarHBondContact CB-O 3.37Å; P237-Y239 WeakPolarHBondContact CG-O 3.29Å; P237-Y239 PolarHBondContact O-N 2.76Å
238	A	91.6	Very high	78.1	Confident	9 Å²	9	79.2 Å²	79.2	7%	0.074	45%	0.447	C	S	.	.	S	Bend	trans	-72.1	-12.9	172.9	0	0	0	0	0	113.9	E217	E217-A238 WeakPolarHBondContact O-CB 3.39Å
239	Y	88.8	Confident	75.6	Confident	80 Å²	80	84.2 Å²	84.2	31%	0.314	46%	0.462	S	S	.	.			trans	-144.8	150.1	-175.4	-58.5	-93.3	0	0	0	110	L214 E217 P237 I270	L214-Y239 VanDerWaalsContact CD2-C 3.44Å; E217-Y239 HydrophobicContact CB-CE1 4.45Å; E217-Y239 HydrophobicContact CB-CE2 4.32Å; E217-Y239 HydrophobicContact CG-CE1 3.98Å; E217-Y239 PolarHBondContact OE2-OH 2.75Å; P237-Y239 WeakPolarHBondContact CB-O 3.37Å; P237-Y239 WeakPolarHBondContact CG-O 3.29Å; P237-Y239 PolarHBondContact O-N 2.76Å; Y239-I270 HydrophobicContact CD2-CD1 3.47Å; Y239-I270 VanDerWaalsContact CD2-CD1 3.47Å; Y239-I270 HydrophobicContact CD2-CG1 4.36Å; Y239-I270 HydrophobicContact CE1-CD1 4.41Å; Y239-I270 HydrophobicContact CE2-CD1 2.93Å; Y239-I270 HydrophobicContact CE2-CG1 3.64Å; Y239-I270 HydrophobicContact CG-CD1 4.45Å; Y239-I270 VanDerWaalsContact CZ-CD1 3.46Å
240	S	80.5	Confident	73.1	Confident	22 Å²	22	87.6 Å²	87.6	15%	0.154	47%	0.47	C	S	.	.			trans	-126.3	121.3	174.4	179.4	0	0	0	0	109.5	L242 L243	S240-L242 PolarHBondContact O-N 2.86Å; S240-L242 PolarHBondContact OG-N 2.9Å; S240-L243 PolarHBondContact O-N 3.02Å; S240-L243 VanDerWaalsContact O-N 3.14Å
241	D	77.4	Confident	70.5	Confident	127 Å²	127	85.4 Å²	85.4	68%	0.679	47%	0.474	S	S	*	.	H	α-helix	trans	-61.2	-32.9	176.1	-62.8	-30.2	0	0	0	110.9	L243 L244 D245	D241-L243 PolarHBondContact O-N 2.77Å; D241-L244 WeakPolarHBondContact O-CB 3.38Å; D241-L244 PolarHBondContact O-N 2.85Å; D241-D245 PolarHBondContact O-N 3.01Å
242	L	72.9	Confident	67.4	Low	108 Å²	108	91.4 Å²	91.4	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-65	-22.3	178.1	-60.1	175.8	0	0	0	113.6	Y178 S240 N246	Y178-L242 HydrophobicContact CD2-CB 4.4Å; Y178-L242 HydrophobicContact CE2-CB 3.93Å; Y178-L242 HydrophobicContact CE2-CD1 4.11Å; S240-L242 PolarHBondContact O-N 2.86Å; S240-L242 PolarHBondContact OG-N 2.9Å; L242-N246 PolarHBondContact O-ND2 3.23Å
243	L	70.8	Confident	64.4	Low	22 Å²	22	95.4 Å²	95.4	12%	0.115	53%	0.527	C	S	.	.	H	α-helix	trans	-85.3	-21.1	174.8	-73.6	175.1	0	0	0	112.5	Y171 N175 Y178 L214 S240 D241	Y171-L243 HydrophobicContact CE1-CD1 4.36Å; Y171-L243 WeakPolarHBondContact OH-CD1 3.29Å; N175-L243 HydrophobicContact CB-CD2 4.07Å; Y178-L243 HydrophobicContact CD1-CD2 3.87Å; Y178-L243 HydrophobicContact CD1-CG 4.34Å; Y178-L243 HydrophobicContact CD2-CD2 3.91Å; Y178-L243 HydrophobicContact CD2-CG 4.29Å; Y178-L243 HydrophobicContact CG-CD2 3.45Å; Y178-L243 VanDerWaalsContact CG-CD2 3.45Å; Y178-L243 HydrophobicContact CG-CG 4.14Å; L214-L243 HydrophobicContact CD1-CD1 4.02Å; S240-L243 PolarHBondContact O-N 3.02Å; S240-L243 VanDerWaalsContact O-N 3.14Å; D241-L243 PolarHBondContact O-N 2.77Å
244	L	61.6	Low	61.6	Low	119 Å²	119	98.3 Å²	98.3	62%	0.623	55%	0.55	S	S	*	.	H	α-helix	trans	-74.9	-32.6	178.1	-67.2	169.8	0	0	0	111.8	D241 N246	D241-L244 WeakPolarHBondContact O-CB 3.38Å; D241-L244 PolarHBondContact O-N 2.85Å; L244-N246 VanDerWaalsContact C-N 3.34Å; L244-N246 PolarHBondContact O-N 2.81Å
245	D	50.7	Low	58.6	Low	129 Å²	129	104.6 Å²	104.6	69%	0.69	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-74.5	-21.5	-178.1	-68.9	-21.7	0	0	0	113.4	D241 V247	D241-D245 PolarHBondContact O-N 3.01Å; D245-V247 PolarHBondContact O-N 3.03Å
246	N	45.9	Very low	55.7	Low	116 Å²	116	107 Å²	107	62%	0.62	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-78.4	0.8	-179	-78.2	-31.4	0	0	0	114.7	L242 L244 G248	L242-N246 PolarHBondContact O-ND2 3.23Å; L244-N246 VanDerWaalsContact C-N 3.34Å; L244-N246 PolarHBondContact O-N 2.81Å; N246-G248 VanDerWaalsContact C-N 3.27Å
247	V	46.5	Very low	52.8	Low	121 Å²	121	113.4 Å²	113.4	73%	0.733	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-87.6	4	176.1	-169	0	0	0	0	111.8	D245	D245-V247 PolarHBondContact O-N 3.03Å
248	G	35.5	Very low	50	Low	66 Å²	66	117.9 Å²	117.9	68%	0.68	64%	0.641	S	S	*	*	S	Bend	trans	-84.8	-8.5	-170.7	0	0	0	0	0	118.3	N246	N246-G248 VanDerWaalsContact C-N 3.27Å
249	E	32	Very low	47	Very low	188 Å²	188	125.1 Å²	125.1	88%	0.879	68%	0.679	S	S	*	*			trans	-131.2	61	-171.5	-70.2	-168.4	164.5	0	0	114.3
250	T	32.8	Very low	44.3	Very low	132 Å²	132	129.6 Å²	129.6	81%	0.81	70%	0.7	S	S	*	*	S	Bend	trans	-140.1	98.7	152.6	50.2	0	0	0	0	111.7
251	S	33.6	Very low	41.9	Very low	121 Å²	121	137.4 Å²	137.4	85%	0.846	73%	0.734	S	S	*	*			trans	52.6	110.3	141.7	-51.3	0	0	0	0	120.5	N253	S251-N253 PolarHBondContact O-N 2.7Å
252	N	29	Very low	39.9	Very low	153 Å²	153	136 Å²	136	82%	0.818	73%	0.73	S	S	*	*			trans	-47	121.5	156.3	-69.3	-44.9	0	0	0	112.4
253	N	30.2	Very low	38.3	Very low	153 Å²	153	135 Å²	135	82%	0.818	73%	0.732	S	S	*	*				179.8	145.5	121.3	-86.7	-23.3	0	0	0	111.6	S251	S251-N253 PolarHBondContact O-N 2.7Å
254	D	34.1	Very low	36.7	Very low	152 Å²	152	140.5 Å²	140.5	81%	0.813	76%	0.761	S	S	*	*			trans	87.5	114.6	168.7	-67.9	-20.3	0	0	0	121.1
255	H	32.5	Very low	36	Very low	175 Å²	175	141.4 Å²	141.4	81%	0.81	77%	0.767	S	S	*	*			trans	-28.8	126.4	161.5	-70.9	-82.8	0	0	0	115.4
256	D	34	Very low	35.8	Very low	160 Å²	160	140.5 Å²	140.5	86%	0.856	76%	0.757	S	S	*	*				-161.9	141.1	113.1	-118.4	-24.6	0	0	0	114.5	H258	D256-H258 PolarHBondContact O-N 3.35Å
257	I	35.1	Very low	35.8	Very low	152 Å²	152	139.2 Å²	139.2	78%	0.779	75%	0.75	S	S	*	*			trans	-76.7	104.7	178.9	-66.5	164.6	0	0	0	108
258	H	34.4	Very low	36.1	Very low	171 Å²	171	136.2 Å²	136.2	79%	0.792	73%	0.734	S	S	*	*			trans	-151.9	100.8	147.1	-108.1	-52.7	0	0	0	111.7	D256 K260	D256-H258 PolarHBondContact O-N 3.35Å; H258-K260 VanDerWaalsContact C-N 3.33Å; H258-K260 PolarHBondContact O-N 3.21Å
259	N	28.7	Very low	37.1	Very low	161 Å²	161	135.3 Å²	135.3	86%	0.861	71%	0.712	S	S	*	*			trans	-57.9	90.2	164.4	-157.9	7.9	0	0	0	109.2
260	K	31.6	Very low	38	Very low	174 Å²	174	127.7 Å²	127.7	76%	0.757	68%	0.677	S	S	*	*			trans	-95.8	108.6	172.7	-103.3	-178.4	-179.7	175.1	0	108.9	H258 V262	H258-K260 VanDerWaalsContact C-N 3.33Å; H258-K260 PolarHBondContact O-N 3.21Å; K260-V262 VanDerWaalsContact C-N 3.34Å; K260-V262 HydrophobicContact CB-CG2 4.09Å; K260-V262 PolarHBondContact O-N 3.21Å
261	Q	30.1	Very low	38.7	Very low	185 Å²	185	124.8 Å²	124.8	86%	0.864	66%	0.656	S	S	*	*			trans	-52.1	89.6	163.2	-73.1	169.1	-54.6	0	0	110.8
262	V	36.5	Very low	39.4	Very low	98 Å²	98	123.3 Å²	123.3	59%	0.594	64%	0.639	S	S	*	*			trans	-112.7	9.9	176.3	179.5	0	0	0	0	112	K260	K260-V262 VanDerWaalsContact C-N 3.34Å; K260-V262 HydrophobicContact CB-CG2 4.09Å; K260-V262 PolarHBondContact O-N 3.21Å
263	S	38.1	Very low	40.5	Very low	87 Å²	87	117.2 Å²	117.2	61%	0.608	61%	0.605	S	S	*	*	S	Bend	trans	-110.9	4.1	-168.3	37.3	0	0	0	0	117
264	N	38.2	Very low	41.4	Very low	137 Å²	137	117.2 Å²	117.2	73%	0.733	60%	0.597	S	S	*	*	S	Bend	trans	-94.3	-35.2	-178.7	-93.7	-0.4	0	0	0	115.9
265	D	45.8	Very low	41.9	Very low	139 Å²	139	117 Å²	117	74%	0.743	59%	0.591	S	S	*	*	S	Bend	trans	-80.8	-35.4	-174.3	-78.5	-24	0	0	0	113.6	N267 S268	D265-N267 PolarHBondContact O-N 3.03Å; D265-S268 WeakPolarHBondContact O-CB 3.34Å; D265-S268 PolarHBondContact O-N 3.04Å; D265-S268 PolarHBondContact O-OG 3.23Å
266	K	46.4	Very low	42.6	Very low	109 Å²	109	113.2 Å²	113.2	47%	0.474	58%	0.577	S	S	.	*	H	α-helix	trans	-66	-37.8	-176.8	-67.8	-175.3	176.5	-171.4	0	113	S268	K266-S268 PolarHBondContact O-N 3.02Å
267	N	47.2	Very low	43.3	Very low	89 Å²	89	112.9 Å²	112.9	48%	0.476	58%	0.576	S	S	.	*	H	α-helix	trans	-68.5	-20.9	174	-88	-11	0	0	0	112.5	D265 N271	D265-N267 PolarHBondContact O-N 3.03Å; N267-N271 WeakPolarHBondContact O-CA 3.16Å; N267-N271 WeakPolarHBondContact O-CB 3.41Å; N267-N271 PolarHBondContact O-N 3.39Å; N267-N271 PolarHBondContact O-ND2 3.06Å; N267-N271 VanDerWaalsContact O-ND2 3.15Å
268	S	53.4	Low	44.6	Very low	59 Å²	59	106.8 Å²	106.8	41%	0.413	55%	0.547	S	S	.	.	H	α-helix	trans	-70.7	-38.1	-173.6	80.1	0	0	0	0	113.7	D265 K266 N272	D265-S268 WeakPolarHBondContact O-CB 3.34Å; D265-S268 PolarHBondContact O-N 3.04Å; D265-S268 PolarHBondContact O-OG 3.23Å; K266-S268 PolarHBondContact O-N 3.02Å; S268-N272 VanDerWaalsContact O-CB 3.24Å; S268-N272 WeakPolarHBondContact O-CB 3.23Å; S268-N272 PolarHBondContact O-N 3.27Å; S268-N272 PolarHBondContact O-ND2 2.7Å
269	F	55.4	Low	46.4	Very low	46 Å²	46	99.4 Å²	99.4	20%	0.202	51%	0.514	C	S	.	.	H	α-helix	trans	-70.8	-49.9	-179.4	179.5	-97.1	0	0	0	111.3	E98 L218 N272 Y273	E98-F269 HydrophobicContact CG-CE2 4.39Å; E98-F269 WeakPolarHBondContact OE1-CE2 3.34Å; E98-F269 VanDerWaalsContact OE1-CZ 3.25Å; E98-F269 WeakPolarHBondContact OE1-CZ 2.83Å; L218-F269 HydrophobicContact CD1-CE1 4.46Å; F269-N272 PolarHBondContact O-N 3.41Å; F269-Y273 WeakPolarHBondContact O-CB 3.45Å; F269-Y273 PolarHBondContact O-N 3.01Å
270	I	51.2	Low	49.2	Very low	28 Å²	28	92 Å²	92	14%	0.144	47%	0.474	C	S	.	.	H	α-helix	trans	-66.5	-41	178.3	-51.1	159.6	0	0	0	110.6	Y239 N272 Y273 K274	Y239-I270 HydrophobicContact CD2-CD1 3.47Å; Y239-I270 VanDerWaalsContact CD2-CD1 3.47Å; Y239-I270 HydrophobicContact CD2-CG1 4.36Å; Y239-I270 HydrophobicContact CE1-CD1 4.41Å; Y239-I270 HydrophobicContact CE2-CD1 2.93Å; Y239-I270 HydrophobicContact CE2-CG1 3.64Å; Y239-I270 HydrophobicContact CG-CD1 4.45Å; Y239-I270 VanDerWaalsContact CZ-CD1 3.46Å; I270-N272 VanDerWaalsContact C-N 3.31Å; I270-N272 PolarHBondContact O-N 3.11Å; I270-Y273 PolarHBondContact O-N 3Å; I270-K274 HydrophobicContact CG2-CD 3.91Å; I270-K274 HydrophobicContact CG2-CG 3.99Å; I270-K274 WeakPolarHBondContact O-CB 3.39Å; I270-K274 PolarHBondContact O-N 3.37Å
271	N	47.5	Very low	52	Low	72 Å²	72	84.3 Å²	84.3	39%	0.385	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-39.6	177.8	-72.6	-19.6	0	0	0	110.1	N267 Q275	N267-N271 WeakPolarHBondContact O-CA 3.16Å; N267-N271 WeakPolarHBondContact O-CB 3.41Å; N267-N271 PolarHBondContact O-N 3.39Å; N267-N271 PolarHBondContact O-ND2 3.06Å; N267-N271 VanDerWaalsContact O-ND2 3.15Å; N271-Q275 WeakPolarHBondContact O-CA 3.48Å; N271-Q275 WeakPolarHBondContact O-CB 3.43Å; N271-Q275 WeakPolarHBondContact O-CG 3.02Å; N271-Q275 PolarHBondContact O-N 2.9Å
272	N	48.9	Very low	55.2	Low	90 Å²	90	75.5 Å²	75.5	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-43.5	171	-89.2	-29.8	0	0	0	111.9	S268 F269 I270 N276	S268-N272 VanDerWaalsContact O-CB 3.24Å; S268-N272 WeakPolarHBondContact O-CB 3.23Å; S268-N272 PolarHBondContact O-N 3.27Å; S268-N272 PolarHBondContact O-ND2 2.7Å; F269-N272 PolarHBondContact O-N 3.41Å; I270-N272 VanDerWaalsContact C-N 3.31Å; I270-N272 PolarHBondContact O-N 3.11Å; N272-N276 WeakPolarHBondContact O-CB 3.32Å; N272-N276 PolarHBondContact O-N 3.47Å; N272-N276 PolarHBondContact O-ND2 2.95Å; N272-N276 VanDerWaalsContact O-ND2 3.14Å
273	Y	51.1	Low	58	Low	24 Å²	24	71.1 Å²	71.1	9%	0.094	38%	0.375	C	S	.	.	H	α-helix	trans	-65.5	-50.6	-179.9	178.7	-92.3	0	0	0	112.7	P219 F269 I270 N276 N277 S278 S279 P280	P219-Y273 HydrophobicContact CG-CD1 4.47Å; P219-Y273 HydrophobicContact CG-CE1 4.11Å; F269-Y273 WeakPolarHBondContact O-CB 3.45Å; F269-Y273 PolarHBondContact O-N 3.01Å; I270-Y273 PolarHBondContact O-N 3Å; Y273-N276 PolarHBondContact O-N 2.93Å; Y273-N277 PolarHBondContact O-N 3.19Å; Y273-S278 WeakPolarHBondContact CD2-OG 3.34Å; Y273-S278 WeakPolarHBondContact CE2-O 3.29Å; Y273-S278 WeakPolarHBondContact CE2-OG 3.5Å; Y273-S278 PolarHBondContact OH-O 3.48Å; Y273-S279 WeakPolarHBondContact CE2-O 3.46Å; Y273-S279 VanDerWaalsContact OH-C 3.23Å; Y273-P280 VanDerWaalsContact CE2-CA 3.5Å; Y273-P280 HydrophobicContact CE2-CB 4.32Å; Y273-P280 WeakPolarHBondContact OH-CA 2.86Å; Y273-P280 VanDerWaalsContact OH-CB 3.23Å; Y273-P280 WeakPolarHBondContact OH-CB 3.29Å; Y273-P280 WeakPolarHBondContact OH-CD 3.41Å
274	K	48.5	Very low	60.9	Low	153 Å²	153	67 Å²	67	67%	0.665	35%	0.346	S	S	*	.	H	α-helix	trans	-66.7	-33.8	177	-74.9	-171	176.2	-177.9	0	112.3	I270	I270-K274 HydrophobicContact CG2-CD 3.91Å; I270-K274 HydrophobicContact CG2-CG 3.99Å; I270-K274 WeakPolarHBondContact O-CB 3.39Å; I270-K274 PolarHBondContact O-N 3.37Å
275	Q	44.6	Very low	63.7	Low	147 Å²	147	60.5 Å²	60.5	69%	0.687	31%	0.311	S	S	*	.	H	α-helix	trans	-74.2	-30.8	176.3	-75.1	175.4	-5.2	0	0	112.6	N271	N271-Q275 WeakPolarHBondContact O-CA 3.48Å; N271-Q275 WeakPolarHBondContact O-CB 3.43Å; N271-Q275 WeakPolarHBondContact O-CG 3.02Å; N271-Q275 PolarHBondContact O-N 2.9Å
276	N	47.5	Very low	66.1	Low	97 Å²	97	55.6 Å²	55.6	52%	0.519	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.7	-176.5	-68.4	-18.5	0	0	0	114.1	N272 Y273 S278	N272-N276 WeakPolarHBondContact O-CB 3.32Å; N272-N276 PolarHBondContact O-N 3.47Å; N272-N276 PolarHBondContact O-ND2 2.95Å; N272-N276 VanDerWaalsContact O-ND2 3.14Å; Y273-N276 PolarHBondContact O-N 2.93Å; N276-S278 PolarHBondContact O-N 3.44Å
277	N	48.6	Very low	68.2	Low	153 Å²	153	51 Å²	51	82%	0.818	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	22.2	-175.1	-106.7	7.9	0	0	0	113.3	Y273	Y273-N277 PolarHBondContact O-N 3.19Å
278	S	63.5	Low	70.1	Confident	24 Å²	24	50.2 Å²	50.2	17%	0.168	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73.1	140	-175.5	52.4	0	0	0	0	109.4	Y273 N276	Y273-S278 WeakPolarHBondContact CD2-OG 3.34Å; Y273-S278 WeakPolarHBondContact CE2-O 3.29Å; Y273-S278 WeakPolarHBondContact CE2-OG 3.5Å; Y273-S278 PolarHBondContact OH-O 3.48Å; N276-S278 PolarHBondContact O-N 3.44Å
279	S	72.7	Confident	71.7	Confident	16 Å²	16	48.9 Å²	48.9	11%	0.112	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-61.6	150.2	170.6	-65.4	0	0	0	0	111.4	Y273	Y273-S279 WeakPolarHBondContact CE2-O 3.46Å; Y273-S279 VanDerWaalsContact OH-C 3.23Å
280	P	86	Confident	73.6	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.026	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-69.5	157.1	-170.9	28.7	-35.4	0	0	0	110.1	P219 Y221 Y273 V282	P219-P280 HydrophobicContact CB-CB 4.5Å; P219-P280 HydrophobicContact CG-CB 4.21Å; Y221-P280 HydrophobicContact CD1-CG 3.87Å; Y221-P280 HydrophobicContact CD2-CG 3.31Å; Y221-P280 HydrophobicContact CE1-CG 4.29Å; Y221-P280 HydrophobicContact CE2-CG 3.8Å; Y221-P280 HydrophobicContact CG-CB 4.5Å; Y221-P280 HydrophobicContact CG-CG 3.37Å; Y273-P280 VanDerWaalsContact CE2-CA 3.5Å; Y273-P280 HydrophobicContact CE2-CB 4.32Å; Y273-P280 WeakPolarHBondContact OH-CA 2.86Å; Y273-P280 VanDerWaalsContact OH-CB 3.23Å; Y273-P280 WeakPolarHBondContact OH-CB 3.29Å; Y273-P280 WeakPolarHBondContact OH-CD 3.41Å; P280-V282 WeakPolarHBondContact CG-O 3.39Å; P280-V282 PolarHBondContact O-N 2.89Å; P280-V282 VanDerWaalsContact O-N 3.09Å
281	P	90.3	Very high	75.8	Confident	14 Å²	14	45.8 Å²	45.8	9%	0.091	24%	0.243	C	C	.	.	S	Bend	trans	-52	-32.7	173.9	-32.7	42.7	0	0	0	113.2	Y86 Y89 L218	Y86-P281 HydrophobicContact CD2-CB 4.2Å; Y86-P281 HydrophobicContact CE2-CB 4.49Å; Y89-P281 HydrophobicContact CD1-CB 3.58Å; Y89-P281 HydrophobicContact CD1-CG 3.89Å; Y89-P281 HydrophobicContact CD2-CB 3.94Å; Y89-P281 HydrophobicContact CD2-CG 4.31Å; Y89-P281 HydrophobicContact CE1-CB 3.81Å; Y89-P281 HydrophobicContact CE1-CG 3.54Å; Y89-P281 HydrophobicContact CE2-CB 4.17Å; Y89-P281 HydrophobicContact CE2-CG 4.02Å; Y89-P281 HydrophobicContact CG-CB 3.64Å; Y89-P281 HydrophobicContact CG-CG 4.25Å; L218-P281 HydrophobicContact CD1-CB 4.22Å; L218-P281 HydrophobicContact CD1-CG 3.85Å; L218-P281 HydrophobicContact CD2-CB 4.27Å
282	V	96.8	Very high	78.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.2	-179	-175.3	0	0	0	0	110.1	F82 A85 L218 I220 Y221 P280 L284	F82-V282 HydrophobicContact CD2-CG1 4.36Å; F82-V282 HydrophobicContact CD2-CG2 4.16Å; F82-V282 HydrophobicContact CE2-CG2 4.32Å; A85-V282 HydrophobicContact CB-CG1 4.15Å; A85-V282 HydrophobicContact CB-CG2 4.13Å; L218-V282 HydrophobicContact CD2-CG2 3.98Å; I220-V282 HydrophobicContact CG2-CG1 4.25Å; Y221-V282 PolarHBondContact N-O 2.91Å; Y221-V282 VanDerWaalsContact N-O 3.09Å; P280-V282 WeakPolarHBondContact CG-O 3.39Å; P280-V282 PolarHBondContact O-N 2.89Å; P280-V282 VanDerWaalsContact O-N 3.09Å; V282-L284 HydrophobicContact CG1-CD1 4.47Å; V282-L284 HydrophobicContact CG1-CD2 3.71Å; V282-L284 HydrophobicContact CG1-CG 3.94Å
283	T	97.3	Very high	80.5	Confident	6 Å²	6	38.2 Å²	38.2	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.8	167.6	-52.5	0	0	0	0	109.1	Y65 Y221 L294	Y65-T283 HydrophobicContact CE1-CG2 3.8Å; Y221-T283 CarbonylContact O-C 3.59Å; Y221-T283 WeakPolarHBondContact O-CA 3.31Å; T283-L294 HydrophobicContact CG2-CB 4.12Å; T283-L294 HydrophobicContact CG2-CD1 4.42Å; T283-L294 PolarHBondContact O-N 2.77Å
284	L	98.1	Very high	82.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	153.2	-178.6	-52.9	-177.3	0	0	0	110.9	F78 A81 I220 Y221 V222 E223 V282 Y291 D292 I293	F78-L284 HydrophobicContact CD2-CD1 3.84Å; F78-L284 HydrophobicContact CE2-CD1 3.96Å; A81-L284 HydrophobicContact CB-CD1 4.36Å; A81-L284 HydrophobicContact CB-CD2 3.63Å; I220-L284 HydrophobicContact CG2-CD1 4.31Å; I220-L284 HydrophobicContact CG2-CG 4.46Å; Y221-L284 PolarHBondContact O-N 3.3Å; V222-L284 CarbonylContact C-O 3.56Å; V222-L284 WeakPolarHBondContact CA-O 3.44Å; V222-L284 HydrophobicContact CG2-CB 4.4Å; E223-L284 PolarHBondContact N-O 2.98Å; V282-L284 HydrophobicContact CG1-CD1 4.47Å; V282-L284 HydrophobicContact CG1-CD2 3.71Å; V282-L284 HydrophobicContact CG1-CG 3.94Å; L284-Y291 HydrophobicContact CB-CD1 4.07Å; L284-Y291 HydrophobicContact CD1-CD1 3.86Å; L284-Y291 HydrophobicContact CD1-CE1 4.43Å; L284-D292 CarbonylContact C-O 3.58Å; L284-D292 VanDerWaalsContact CA-O 3.25Å; L284-D292 WeakPolarHBondContact CA-O 3.37Å; L284-I293 HydrophobicContact CD2-CG1 4.22Å
285	L	96.9	Very high	85	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.8	162.9	174.1	61.2	0	0	0	107.9	L44 M61 I68 E223 C225 R287 Y291 D292 L294	L44-L285 HydrophobicContact CD1-CD2 3.82Å; M61-L285 HydrophobicContact CE-CD1 3.55Å; M61-L285 HydrophobicContact CE-CD2 3.96Å; M61-L285 HydrophobicContact CE-CG 4.2Å; M61-L285 HydrophobicContact SD-CD1 3.82Å; I68-L285 HydrophobicContact CD1-CD2 3.85Å; E223-L285 HydrophobicContact CB-CD1 4.39Å; C225-L285 HydrophobicContact CB-CD1 3.63Å; L285-R287 HydrophobicContact CD1-CG 4.45Å; L285-R287 HydrophobicContact CD2-CG 4.04Å; L285-R287 HydrophobicContact CG-CG 4.01Å; L285-Y291 VanDerWaalsContact O-CA 3.31Å; L285-Y291 WeakPolarHBondContact O-CA 3.47Å; L285-D292 HydrophobicContact CB-CB 4.34Å; L285-D292 PolarHBondContact N-O 3.49Å; L285-D292 PolarHBondContact O-N 3.07Å; L285-L294 HydrophobicContact CB-CD1 3.8Å; L285-L294 HydrophobicContact CB-CD2 4.05Å; L285-L294 HydrophobicContact CB-CG 3.73Å
286	Y	96.2	Very high	87.3	Confident	37 Å²	37	24.1 Å²	24.1	15%	0.145	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.4	164.9	177	-97.5	0	0	0	110.1	V222 E223 N224 C225 Q226 G289 Y291	V222-Y286 VanDerWaalsContact CG1-CB 3.45Å; E223-Y286 PolarHBondContact O-N 3.39Å; N224-Y286 WeakPolarHBondContact OD1-CD1 3.24Å; C225-Y286 WeakPolarHBondContact CA-O 3.31Å; C225-Y286 WeakPolarHBondContact CB-O 3.31Å; C225-Y286 PolarHBondContact N-O 3.02Å; Q226-Y286 HydrophobicContact CG-CD1 4.26Å; Q226-Y286 HydrophobicContact CG-CE1 3.84Å; Y286-G289 PolarHBondContact OH-N 3.44Å; Y286-Y291 HydrophobicContact CD2-CD1 4.31Å; Y286-Y291 HydrophobicContact CD2-CD2 4.24Å; Y286-Y291 AromaticContact CD2-CE1 3.79Å; Y286-Y291 HydrophobicContact CD2-CE1 3.79Å; Y286-Y291 AromaticContact CD2-CE2 3.7Å; Y286-Y291 HydrophobicContact CD2-CE2 3.7Å; Y286-Y291 AromaticContact CD2-CZ 3.46Å; Y286-Y291 VanDerWaalsContact CD2-CZ 3.46Å; Y286-Y291 HydrophobicContact CE2-CE2 4.07Å; Y286-Y291 HydrophobicContact CG-CE1 4.34Å
287	R	91.5	Very high	89.2	Confident	11 Å²	11	21.7 Å²	21.7	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	155.3	162.9	-60.2	-180	-70.6	159.5	-3.3	106.3	D47 L285 G289 H290 D292	D47-R287 IonicContact OD2-CZ 2.96Å; D47-R287 IonicContact OD2-NH1 3.98Å; D47-R287 PolarHBondContact OD2-NH1 2.99Å; D47-R287 IonicContact OD2-NH2 2.71Å; L285-R287 HydrophobicContact CD1-CG 4.45Å; L285-R287 HydrophobicContact CD2-CG 4.04Å; L285-R287 HydrophobicContact CG-CG 4.01Å; R287-G289 PolarHBondContact O-N 3.22Å; R287-H290 PolarHBondContact N-O 3.15Å; R287-H290 PolarHBondContact NH2-CD2 3.26Å; R287-H290 VanDerWaalsContact NH2-CD2 3.29Å; R287-H290 PolarHBondContact O-N 3.43Å; R287-D292 IonicContact CZ-OD2 3.63Å; R287-D292 VanDerWaalsContact CZ-OD2 3.27Å; R287-D292 IonicContact NE-OD2 3.1Å; R287-D292 PolarHBondContact NE-OD2 3.31Å; R287-D292 IonicContact NH2-OD1 3.18Å; R287-D292 IonicContact NH2-OD2 2.73Å; R287-D292 PolarHBondContact NH2-OD2 2.62Å
288	P	86.5	Confident	90.3	Very high	73 Å²	73	18.5 Å²	18.5	47%	0.474	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	113.4	-176.7	-29.7	35.7	0	0	0	112.5
289	G	87.3	Confident	89.6	Confident	32 Å²	32	22.6 Å²	22.6	33%	0.33	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	10.8	-178.5	0	0	0	0	0	117	Y286 R287	Y286-G289 PolarHBondContact OH-N 3.44Å; R287-G289 PolarHBondContact O-N 3.22Å
290	H	94.2	Very high	88.1	Confident	3 Å²	3	25.2 Å²	25.2	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	141.9	-172.8	-173	58.2	0	0	0	114.9	L71 R73 R287 D292	L71-H290 PolarHBondContact O-CE1 2.94Å; L71-H290 PolarHBondContact O-NE2 2.78Å; R73-H290 HydrophobicContact CG-CB 4.12Å; R73-H290 VanDerWaalsContact CG-CG 3.49Å; R73-H290 WeakPolarHBondContact CG-ND1 3.35Å; R287-H290 PolarHBondContact N-O 3.15Å; R287-H290 PolarHBondContact NH2-CD2 3.26Å; R287-H290 VanDerWaalsContact NH2-CD2 3.29Å; R287-H290 PolarHBondContact O-N 3.43Å; H290-D292 IonicContact CD2-OD1 3.27Å; H290-D292 IonicContact CD2-OD2 2.92Å; H290-D292 PolarHBondContact CD2-OD2 3.39Å; H290-D292 VanDerWaalsContact CD2-OD2 3.23Å; H290-D292 IonicContact CE1-OD1 2.6Å; H290-D292 IonicContact NE2-OD1 2.89Å; H290-D292 PolarHBondContact NE2-OD1 3.05Å; H290-D292 IonicContact NE2-OD2 2.79Å; H290-D292 PolarHBondContact NE2-OD2 3.14Å
291	Y	97.6	Very high	85.5	Confident	5 Å²	5	33.6 Å²	33.6	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.5	175.4	-69	-92.9	0	0	0	112.1	C77 F78 S204 V222 L284 L285 Y286	C77-Y291 PolarHBondContact SG-N 3.38Å; C77-Y291 VanDerWaalsContact SG-N 3.38Å; F78-Y291 HydrophobicContact CB-CD2 3.74Å; F78-Y291 HydrophobicContact CB-CE2 4.04Å; F78-Y291 HydrophobicContact CB-CG 4.2Å; F78-Y291 HydrophobicContact CD2-CD1 4.43Å; F78-Y291 HydrophobicContact CD2-CE1 4.41Å; F78-Y291 HydrophobicContact CD2-CG 4.49Å; S204-Y291 WeakPolarHBondContact O-CE2 3.3Å; S204-Y291 PolarHBondContact O-OH 2.96Å; V222-Y291 HydrophobicContact CG1-CE1 4.05Å; V222-Y291 HydrophobicContact CG2-CE1 4.33Å; L284-Y291 HydrophobicContact CB-CD1 4.07Å; L284-Y291 HydrophobicContact CD1-CD1 3.86Å; L284-Y291 HydrophobicContact CD1-CE1 4.43Å; L285-Y291 VanDerWaalsContact O-CA 3.31Å; L285-Y291 WeakPolarHBondContact O-CA 3.47Å; Y286-Y291 HydrophobicContact CD2-CD1 4.31Å; Y286-Y291 HydrophobicContact CD2-CD2 4.24Å; Y286-Y291 AromaticContact CD2-CE1 3.79Å; Y286-Y291 HydrophobicContact CD2-CE1 3.79Å; Y286-Y291 AromaticContact CD2-CE2 3.7Å; Y286-Y291 HydrophobicContact CD2-CE2 3.7Å; Y286-Y291 AromaticContact CD2-CZ 3.46Å; Y286-Y291 VanDerWaalsContact CD2-CZ 3.46Å; Y286-Y291 HydrophobicContact CE2-CE2 4.07Å; Y286-Y291 HydrophobicContact CG-CE1 4.34Å
292	D	97.4	Very high	85.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161.4	168.2	-62.6	-64.1	0	0	0	109.7	I68 R69 R70 L71 L284 L285 R287 H290	I68-D292 HydrophobicContact CD1-CB 3.71Å; I68-D292 HydrophobicContact CG1-CB 3.87Å; R69-D292 WeakPolarHBondContact O-CB 3.42Å; R70-D292 VanDerWaalsContact CA-OD1 3.25Å; R70-D292 WeakPolarHBondContact CA-OD1 3.33Å; L71-D292 PolarHBondContact N-OD1 3.42Å; L284-D292 CarbonylContact C-O 3.58Å; L284-D292 VanDerWaalsContact CA-O 3.25Å; L284-D292 WeakPolarHBondContact CA-O 3.37Å; L285-D292 HydrophobicContact CB-CB 4.34Å; L285-D292 PolarHBondContact N-O 3.49Å; L285-D292 PolarHBondContact O-N 3.07Å; R287-D292 IonicContact CZ-OD2 3.63Å; R287-D292 VanDerWaalsContact CZ-OD2 3.27Å; R287-D292 IonicContact NE-OD2 3.1Å; R287-D292 PolarHBondContact NE-OD2 3.31Å; R287-D292 IonicContact NH2-OD1 3.18Å; R287-D292 IonicContact NH2-OD2 2.73Å; R287-D292 PolarHBondContact NH2-OD2 2.62Å; H290-D292 IonicContact CD2-OD1 3.27Å; H290-D292 IonicContact CD2-OD2 2.92Å; H290-D292 PolarHBondContact CD2-OD2 3.39Å; H290-D292 VanDerWaalsContact CD2-OD2 3.23Å; H290-D292 IonicContact CE1-OD1 2.6Å; H290-D292 IonicContact NE2-OD1 2.89Å; H290-D292 PolarHBondContact NE2-OD1 3.05Å; H290-D292 IonicContact NE2-OD2 2.79Å; H290-D292 PolarHBondContact NE2-OD2 3.14Å
293	I	98.3	Very high	84.7	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.4	177	-56.2	166.5	0	0	0	109.2	I68 R69 L71 A81 F84 A85 L284 Y295	I68-I293 CarbonylContact C-O 3.54Å; I68-I293 VanDerWaalsContact CA-O 3.25Å; I68-I293 WeakPolarHBondContact CA-O 3.24Å; I68-I293 WeakPolarHBondContact CG1-O 3.37Å; R69-I293 HydrophobicContact CB-CB 3.82Å; R69-I293 HydrophobicContact CB-CD1 4.07Å; R69-I293 HydrophobicContact CB-CG1 4.31Å; R69-I293 PolarHBondContact N-O 2.87Å; R69-I293 PolarHBondContact O-N 3.28Å; L71-I293 HydrophobicContact CD1-CD1 4.19Å; L71-I293 HydrophobicContact CD1-CG1 4.12Å; A81-I293 HydrophobicContact CB-CD1 4.49Å; A81-I293 HydrophobicContact CB-CG1 3.86Å; F84-I293 HydrophobicContact CB-CD1 4.25Å; F84-I293 HydrophobicContact CD1-CD1 3.72Å; F84-I293 HydrophobicContact CG-CD1 4.4Å; A85-I293 HydrophobicContact CB-CD1 4.03Å; A85-I293 HydrophobicContact CB-CG1 4.31Å; A85-I293 HydrophobicContact CB-CG2 4.05Å; L284-I293 HydrophobicContact CD2-CG1 4.22Å; I293-Y295 HydrophobicContact CG2-CE2 4.12Å
294	L	97.6	Very high	84	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.5	173.3	-70.2	175.2	0	0	0	111.4	M61 Y65 I68 E223 T283 L285	M61-L294 HydrophobicContact CE-CD1 3.82Å; M61-L294 HydrophobicContact CE-CD2 3.61Å; M61-L294 HydrophobicContact CE-CG 4.35Å; Y65-L294 HydrophobicContact CD1-CB 3.7Å; Y65-L294 HydrophobicContact CD1-CD1 4.3Å; Y65-L294 HydrophobicContact CD1-CG 4.45Å; Y65-L294 HydrophobicContact CD2-CD1 4.2Å; Y65-L294 HydrophobicContact CE1-CB 3.88Å; Y65-L294 HydrophobicContact CE1-CD1 4.15Å; Y65-L294 HydrophobicContact CE2-CD1 4.05Å; Y65-L294 HydrophobicContact CG-CB 4.27Å; Y65-L294 HydrophobicContact CG-CD1 4.34Å; Y65-L294 HydrophobicContact CG-CD2 4.41Å; I68-L294 HydrophobicContact CB-CD2 4.41Å; I68-L294 HydrophobicContact CD1-CD2 4.39Å; I68-L294 HydrophobicContact CG1-CD2 4.31Å; E223-L294 HydrophobicContact CB-CD1 3.77Å; E223-L294 HydrophobicContact CG-CD1 3.65Å; T283-L294 HydrophobicContact CG2-CB 4.12Å; T283-L294 HydrophobicContact CG2-CD1 4.42Å; T283-L294 PolarHBondContact O-N 2.77Å; L285-L294 HydrophobicContact CB-CD1 3.8Å; L285-L294 HydrophobicContact CB-CD2 4.05Å; L285-L294 HydrophobicContact CB-CG 3.73Å
295	Y	96	Very high	83.1	Confident	15 Å²	15	40.4 Å²	40.4	6%	0.059	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.8	175.3	-66.7	-84.1	0	0	0	110.3	I38 Y65 R66 G67 R69 E88 I293	I38-Y295 HydrophobicContact CB-CE2 4.44Å; I38-Y295 HydrophobicContact CD1-CD1 4.25Å; I38-Y295 HydrophobicContact CD1-CD2 4.11Å; I38-Y295 HydrophobicContact CD1-CE1 3.95Å; I38-Y295 HydrophobicContact CD1-CE2 3.79Å; I38-Y295 HydrophobicContact CD1-CG 4.32Å; I38-Y295 HydrophobicContact CG1-CD2 4.18Å; I38-Y295 HydrophobicContact CG1-CE2 3.63Å; I38-Y295 HydrophobicContact CG2-CD2 3.99Å; I38-Y295 HydrophobicContact CG2-CE2 4.22Å; Y65-Y295 CarbonylContact C-O 3.54Å; Y65-Y295 VanDerWaalsContact CA-O 3.28Å; Y65-Y295 WeakPolarHBondContact CA-O 3.38Å; R66-Y295 PolarHBondContact N-O 3.5Å; G67-Y295 PolarHBondContact O-N 3.15Å; R69-Y295 HydrophobicContact CB-CE2 3.95Å; E88-Y295 PolarHBondContact OE1-OH 3.29Å; E88-Y295 VanDerWaalsContact OE2-CE1 3.24Å; E88-Y295 WeakPolarHBondContact OE2-CE1 3.32Å; E88-Y295 PolarHBondContact OE2-OH 3.18Å; I293-Y295 HydrophobicContact CG2-CE2 4.12Å
296	P	92.8	Very high	82.3	Confident	10 Å²	10	42.9 Å²	42.9	7%	0.065	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	156.2	-179.2	26.1	-33.1	0	0	0	111.9	N64 Y65 R66	N64-P296 CarbonylContact O-C 3.57Å; N64-P296 WeakPolarHBondContact O-CA 3.16Å; Y65-P296 HydrophobicContact CD1-CB 4.4Å; Y65-P296 HydrophobicContact CE1-CB 4.39Å; R66-P296 WeakPolarHBondContact CD-O 3.31Å; R66-P296 PolarHBondContact NH1-O 3.44Å
297	N	88.2	Confident	81.4	Confident	46 Å²	46	43.3 Å²	43.3	25%	0.246	25%	0.249	C	C	.	.			trans	-61.5	141.8	169.9	-75.5	-25.6	0	0	0	109.9	Q63 N64 Y65 R66 S299 N300	Q63-N297 PolarHBondContact O-ND2 3.48Å; N64-N297 PolarHBondContact O-N 2.92Å; Y65-N297 VanDerWaalsContact C-OD1 3.3Å; R66-N297 WeakPolarHBondContact CA-OD1 3.49Å; R66-N297 WeakPolarHBondContact CB-OD1 3.35Å; R66-N297 PolarHBondContact N-OD1 3.33Å; R66-N297 VanDerWaalsContact N-OD1 3.12Å; N297-S299 PolarHBondContact O-N 2.79Å; N297-N300 PolarHBondContact O-N 2.66Å
298	S	70.2	Confident	80.6	Confident	85 Å²	85	45.6 Å²	45.6	59%	0.594	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-59.6	-10.3	-175.5	-41.7	0	0	0	0	114.2	N300	S298-N300 VanDerWaalsContact C-N 3.29Å; S298-N300 PolarHBondContact O-N 3.27Å
299	S	49.1	Very low	80.2	Confident	111 Å²	111	43.5 Å²	43.5	78%	0.776	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-80.7	1.9	-179.3	-47.7	0	0	0	0	114.8	N297	N297-S299 PolarHBondContact O-N 2.79Å
300	N	42.3	Very low	79.6	Confident	71 Å²	71	44.4 Å²	44.4	38%	0.38	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-105.7	28.4	174.4	-68.3	-17.3	0	0	0	113.1	N297 S298	N297-N300 PolarHBondContact O-N 2.66Å; S298-N300 VanDerWaalsContact C-N 3.29Å; S298-N300 PolarHBondContact O-N 3.27Å
301	Y	31.1	Very low	78.3	Confident	180 Å²	180	48.2 Å²	48.2	71%	0.706	26%	0.262	S	S	*	.			trans	-120.6	0	173.9	-75	-81.3	0	0	0	111.2

Retrieved 301 of 301 residues in 94.3 ms (Link to these results)

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