A0A5K4F8F4_SCHMA Loading...

Estradiol 17-beta-dehydrogenase 12

AlphaFold DB , UniProt , Accession A0A5K4F8F4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 316 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	48.8	Very low	77.3	Confident	242 Å²	242	112.6 Å²	112.6	100%	1.192	61%	0.61	S	S	*	*				0	103.8	0	-84	174.6	168.5	0	0	107.4	T3	M1-T3 PolarHBondContact O-N 3.35Å
2	T	65.4	Low	78.4	Confident	144 Å²	144	113.8 Å²	113.8	88%	0.883	61%	0.609	S	S	*	*			trans	-74.3	112.9	171.7	35.7	0	0	0	0	107.9	L4	T2-L4 PolarHBondContact O-N 3.21Å; T2-L4 VanDerWaalsContact O-N 3.16Å
3	T	70.8	Confident	79.3	Confident	136 Å²	136	111.3 Å²	111.3	83%	0.834	59%	0.591	S	S	*	*			trans	-67.9	107.9	172.2	47.6	0	0	0	0	108	M1 S5	M1-T3 PolarHBondContact O-N 3.35Å; T3-S5 PolarHBondContact O-N 2.85Å
4	L	72.4	Confident	80.1	Confident	78 Å²	78	116.1 Å²	116.1	41%	0.408	60%	0.597	S	S	.	*			trans	-51.9	136.9	166.7	-78.7	155.2	0	0	0	108.6	T2 E8 L9 E12	T2-L4 PolarHBondContact O-N 3.21Å; T2-L4 VanDerWaalsContact O-N 3.16Å; L4-E8 HydrophobicContact CB-CB 4.42Å; L4-E8 HydrophobicContact CD2-CB 3.67Å; L4-L9 HydrophobicContact CD1-CD1 4.36Å; L4-E12 WeakPolarHBondContact CD1-OE2 3.36Å
5	S	85	Confident	80.9	Confident	55 Å²	55	116.3 Å²	116.3	39%	0.385	60%	0.598	S	S	.	*			trans	-62.5	153.6	168.4	68.6	0	0	0	0	109.6	T3 V7 E8 L9	T3-S5 PolarHBondContact O-N 2.85Å; S5-V7 PolarHBondContact O-N 2.88Å; S5-V7 VanDerWaalsContact O-N 3.13Å; S5-E8 WeakPolarHBondContact CB-OE2 3.29Å; S5-E8 PolarHBondContact N-OE2 2.85Å; S5-E8 PolarHBondContact O-N 3.37Å; S5-E8 WeakPolarHBondContact OG-CG 3.33Å; S5-E8 PolarHBondContact OG-N 3.37Å; S5-E8 PolarHBondContact OG-OE2 3.38Å; S5-L9 PolarHBondContact O-N 2.85Å
6	F	83.6	Confident	81.7	Confident	159 Å²	159	115.5 Å²	115.5	70%	0.697	60%	0.595	S	S	*	*	H	α-helix	trans	-54.6	-34.8	179.3	-179.3	-105.2	0	0	0	112.8	I10	F6-I10 HydrophobicContact CD1-CD1 3.82Å; F6-I10 HydrophobicContact CE1-CD1 3.33Å; F6-I10 HydrophobicContact CE1-CG1 4.49Å; F6-I10 HydrophobicContact CE2-CD1 4.24Å; F6-I10 HydrophobicContact CG-CD1 4.47Å; F6-I10 HydrophobicContact CZ-CD1 3.58Å; F6-I10 HydrophobicContact CZ-CG1 4.48Å; F6-I10 WeakPolarHBondContact O-CG1 3.45Å; F6-I10 PolarHBondContact O-N 3.34Å; F6-I10 VanDerWaalsContact O-N 3.16Å
7	V	84	Confident	82.3	Confident	101 Å²	101	113.8 Å²	113.8	61%	0.612	59%	0.586	S	S	*	*	H	α-helix	trans	-70.4	-41.9	177.9	179.2	0	0	0	0	111.7	S5 I10 T11	S5-V7 PolarHBondContact O-N 2.88Å; S5-V7 VanDerWaalsContact O-N 3.13Å; V7-I10 PolarHBondContact O-N 2.69Å; V7-T11 WeakPolarHBondContact O-CB 3.48Å; V7-T11 PolarHBondContact O-N 3.14Å; V7-T11 PolarHBondContact O-OG1 3Å
8	E	85.9	Confident	82.9	Confident	100 Å²	100	112.7 Å²	112.7	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-64.7	-42.8	176.1	-70.8	162	153.4	0	0	110.9	L4 S5 I10 T11 E12	L4-E8 HydrophobicContact CB-CB 4.42Å; L4-E8 HydrophobicContact CD2-CB 3.67Å; S5-E8 WeakPolarHBondContact CB-OE2 3.29Å; S5-E8 PolarHBondContact N-OE2 2.85Å; S5-E8 PolarHBondContact O-N 3.37Å; S5-E8 WeakPolarHBondContact OG-CG 3.33Å; S5-E8 PolarHBondContact OG-N 3.37Å; S5-E8 PolarHBondContact OG-OE2 3.38Å; E8-I10 PolarHBondContact O-N 3.11Å; E8-T11 PolarHBondContact O-N 3.45Å; E8-T11 VanDerWaalsContact O-N 3.1Å; E8-E12 WeakPolarHBondContact O-CB 3.44Å; E8-E12 WeakPolarHBondContact O-CG 3.08Å; E8-E12 PolarHBondContact O-N 2.85Å
9	L	84	Confident	83.5	Confident	78 Å²	78	111.7 Å²	111.7	41%	0.408	58%	0.576	S	S	.	*	H	α-helix	trans	-58	-45.6	176.2	-172.5	75.8	0	0	0	112	L4 S5 T11 H13	L4-L9 HydrophobicContact CD1-CD1 4.36Å; S5-L9 PolarHBondContact O-N 2.85Å; L9-T11 VanDerWaalsContact C-N 3.33Å; L9-H13 VanDerWaalsContact CD1-CD2 3.5Å; L9-H13 WeakPolarHBondContact CD1-CD2 3.48Å; L9-H13 WeakPolarHBondContact O-CB 3.45Å; L9-H13 PolarHBondContact O-CD2 3.21Å; L9-H13 PolarHBondContact O-N 3.47Å
10	I	84.3	Confident	84.1	Confident	70 Å²	70	109.8 Å²	109.8	36%	0.359	57%	0.57	S	S	.	*	H	α-helix	trans	-64.4	-40.9	176	-70.4	171.3	0	0	0	110.8	F6 V7 E8 H13 R14 L17	F6-I10 HydrophobicContact CD1-CD1 3.82Å; F6-I10 HydrophobicContact CE1-CD1 3.33Å; F6-I10 HydrophobicContact CE1-CG1 4.49Å; F6-I10 HydrophobicContact CE2-CD1 4.24Å; F6-I10 HydrophobicContact CG-CD1 4.47Å; F6-I10 HydrophobicContact CZ-CD1 3.58Å; F6-I10 HydrophobicContact CZ-CG1 4.48Å; F6-I10 WeakPolarHBondContact O-CG1 3.45Å; F6-I10 PolarHBondContact O-N 3.34Å; F6-I10 VanDerWaalsContact O-N 3.16Å; V7-I10 PolarHBondContact O-N 2.69Å; E8-I10 PolarHBondContact O-N 3.11Å; I10-H13 CarbonylContact O-C 3.55Å; I10-R14 VanDerWaalsContact O-CA 3.23Å; I10-R14 WeakPolarHBondContact O-CA 3.36Å; I10-R14 WeakPolarHBondContact O-CB 3.5Å; I10-R14 PolarHBondContact O-N 3.15Å; I10-L17 HydrophobicContact CB-CD1 4.37Å; I10-L17 HydrophobicContact CG1-CD1 4.25Å; I10-L17 HydrophobicContact CG2-CD1 4.2Å
11	T	86	Confident	84.6	Confident	76 Å²	76	111.2 Å²	111.2	47%	0.466	57%	0.572	S	S	.	*	H	α-helix	trans	-68.4	-44.2	-177	-55.2	0	0	0	0	111.4	V7 E8 L9 R14	V7-T11 WeakPolarHBondContact O-CB 3.48Å; V7-T11 PolarHBondContact O-N 3.14Å; V7-T11 PolarHBondContact O-OG1 3Å; E8-T11 PolarHBondContact O-N 3.45Å; E8-T11 VanDerWaalsContact O-N 3.1Å; L9-T11 VanDerWaalsContact C-N 3.33Å; T11-R14 WeakPolarHBondContact O-CG 3.46Å
12	E	90.4	Very high	86.8	Confident	127 Å²	127	103.3 Å²	103.3	59%	0.593	53%	0.534	S	S	*	.	H	α-helix	trans	-65.7	-38.3	176.7	-73	-170.5	168.1	0	0	112	L4 E8	L4-E12 WeakPolarHBondContact CD1-OE2 3.36Å; E8-E12 WeakPolarHBondContact O-CB 3.44Å; E8-E12 WeakPolarHBondContact O-CG 3.08Å; E8-E12 PolarHBondContact O-N 2.85Å
13	H	90.1	Very high	88.3	Confident	81 Å²	81	103 Å²	103	38%	0.375	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	12.7	-177.6	-60.2	-58.7	0	0	0	114.8	L9 I10 L15 L16 L17	L9-H13 VanDerWaalsContact CD1-CD2 3.5Å; L9-H13 WeakPolarHBondContact CD1-CD2 3.48Å; L9-H13 WeakPolarHBondContact O-CB 3.45Å; L9-H13 PolarHBondContact O-CD2 3.21Å; L9-H13 PolarHBondContact O-N 3.47Å; I10-H13 CarbonylContact O-C 3.55Å; H13-L15 PolarHBondContact O-N 2.67Å; H13-L15 VanDerWaalsContact O-N 3.08Å; H13-L16 WeakPolarHBondContact O-CB 3.16Å; H13-L16 PolarHBondContact O-N 3.35Å; H13-L17 HydrophobicContact CB-CG 4.41Å; H13-L17 WeakPolarHBondContact O-CG 3.36Å; H13-L17 PolarHBondContact O-N 3.04Å
14	R	91.2	Very high	89.5	Confident	179 Å²	179	99.9 Å²	99.9	68%	0.675	50%	0.501	S	S	*	.	H	α-helix	trans	-51.7	-39.6	-173.1	67.4	-173.2	-178.9	-162.4	-2.5	114.1	I10 T11 L18	I10-R14 VanDerWaalsContact O-CA 3.23Å; I10-R14 WeakPolarHBondContact O-CA 3.36Å; I10-R14 WeakPolarHBondContact O-CB 3.5Å; I10-R14 PolarHBondContact O-N 3.15Å; T11-R14 WeakPolarHBondContact O-CG 3.46Å; R14-L18 WeakPolarHBondContact O-CB 3.42Å; R14-L18 PolarHBondContact O-N 3.37Å
15	L	91.9	Very high	90.5	Very high	118 Å²	118	103 Å²	103	62%	0.618	51%	0.508	S	S	*	.	H	α-helix	trans	-70.6	-43.4	180	-179	62.6	0	0	0	111.3	H13 L18 I19	H13-L15 PolarHBondContact O-N 2.67Å; H13-L15 VanDerWaalsContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 2.89Å; L15-I19 HydrophobicContact CD1-CD1 4.22Å; L15-I19 HydrophobicContact CD1-CG1 4.48Å; L15-I19 HydrophobicContact CG-CD1 3.99Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 3.28Å
16	L	93.1	Very high	91	Very high	104 Å²	104	104.3 Å²	104.3	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-46.2	176.2	179.9	62.8	0	0	0	110.5	H13 L18 I19 T20	H13-L16 WeakPolarHBondContact O-CB 3.16Å; H13-L16 PolarHBondContact O-N 3.35Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 3.22Å; L16-I19 PolarHBondContact O-N 2.86Å; L16-T20 PolarHBondContact O-N 3.25Å; L16-T20 PolarHBondContact O-OG1 2.62Å
17	L	92.5	Very high	91.5	Very high	86 Å²	86	99 Å²	99	45%	0.45	49%	0.492	S	S	.	.	H	α-helix	trans	-59	-43.4	176.3	-69.3	173.1	0	0	0	111.8	I10 H13 T20 F21	I10-L17 HydrophobicContact CB-CD1 4.37Å; I10-L17 HydrophobicContact CG1-CD1 4.25Å; I10-L17 HydrophobicContact CG2-CD1 4.2Å; H13-L17 HydrophobicContact CB-CG 4.41Å; H13-L17 WeakPolarHBondContact O-CG 3.36Å; H13-L17 PolarHBondContact O-N 3.04Å; L17-T20 PolarHBondContact O-N 2.92Å; L17-F21 WeakPolarHBondContact O-CB 3.46Å; L17-F21 PolarHBondContact O-N 3.24Å
18	L	93.5	Very high	92.1	Very high	94 Å²	94	99.6 Å²	99.6	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-63	-44.7	176.1	-179.2	63.9	0	0	0	111.9	R14 L15 L16 F21 I22	R14-L18 WeakPolarHBondContact O-CB 3.42Å; R14-L18 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 2.89Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 3.22Å; L18-F21 PolarHBondContact O-N 3.31Å; L18-I22 HydrophobicContact CD1-CD1 4.06Å; L18-I22 HydrophobicContact CD1-CG1 4.36Å; L18-I22 HydrophobicContact CG-CD1 3.93Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.11Å; L18-I22 PolarHBondContact O-N 3.31Å
19	I	94.7	Very high	92.5	Very high	95 Å²	95	97.7 Å²	97.7	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-62.2	-46.6	177.5	-69.3	165.7	0	0	0	110.5	L15 L16 F21 I22 F23	L15-I19 HydrophobicContact CD1-CD1 4.22Å; L15-I19 HydrophobicContact CD1-CG1 4.48Å; L15-I19 HydrophobicContact CG-CD1 3.99Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 3.28Å; L16-I19 PolarHBondContact O-N 2.86Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.43Å; I19-I22 PolarHBondContact O-N 3Å; I19-F23 WeakPolarHBondContact O-CB 3.47Å; I19-F23 PolarHBondContact O-N 3.1Å
20	T	94.7	Very high	93	Very high	72 Å²	72	99 Å²	99	44%	0.442	48%	0.483	S	S	.	.	H	α-helix	trans	-62	-40	177.1	-56.4	0	0	0	0	111.3	L16 L17 F23 T24	L16-T20 PolarHBondContact O-N 3.25Å; L16-T20 PolarHBondContact O-OG1 2.62Å; L17-T20 PolarHBondContact O-N 2.92Å; T20-F23 PolarHBondContact O-N 2.81Å; T20-T24 HydrophobicContact CG2-CG2 4.34Å; T20-T24 WeakPolarHBondContact O-CB 3.47Å; T20-T24 VanDerWaalsContact O-CG2 3.27Å; T20-T24 WeakPolarHBondContact O-CG2 3.49Å; T20-T24 PolarHBondContact O-N 2.76Å; T20-T24 PolarHBondContact O-OG1 3.3Å
21	F	94.9	Very high	93.5	Very high	141 Å²	141	97.9 Å²	97.9	62%	0.618	48%	0.482	S	S	*	.	H	α-helix	trans	-64.1	-46.3	176	-177.2	-97.8	0	0	0	112.2	L17 L18 I19 F23 T24 W25	L17-F21 WeakPolarHBondContact O-CB 3.46Å; L17-F21 PolarHBondContact O-N 3.24Å; L18-F21 PolarHBondContact O-N 3.31Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.43Å; F21-F23 PolarHBondContact O-N 2.89Å; F21-T24 WeakPolarHBondContact CA-OG1 3.27Å; F21-T24 PolarHBondContact O-N 2.91Å; F21-T24 PolarHBondContact O-OG1 3.31Å; F21-W25 WeakPolarHBondContact O-CB 3.27Å; F21-W25 PolarHBondContact O-N 2.83Å
22	I	94.9	Very high	93.9	Very high	76 Å²	76	97.6 Å²	97.6	39%	0.39	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-45.1	176.5	-68.2	167.5	0	0	0	110.5	L18 I19 W25 I26	L18-I22 HydrophobicContact CD1-CD1 4.06Å; L18-I22 HydrophobicContact CD1-CG1 4.36Å; L18-I22 HydrophobicContact CG-CD1 3.93Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.11Å; L18-I22 PolarHBondContact O-N 3.31Å; I19-I22 PolarHBondContact O-N 3Å; I22-W25 PolarHBondContact O-N 2.9Å; I22-I26 HydrophobicContact CG2-CD1 3.7Å; I22-I26 HydrophobicContact CG2-CG1 4.39Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.47Å; I22-I26 PolarHBondContact O-N 3.24Å
23	F	96	Very high	94.1	Very high	136 Å²	136	94.1 Å²	94.1	60%	0.596	46%	0.461	S	S	*	.	H	α-helix	trans	-61.8	-49.9	179	-177.8	-96.2	0	0	0	111.6	I19 T20 F21 W25 I26 S27	I19-F23 WeakPolarHBondContact O-CB 3.47Å; I19-F23 PolarHBondContact O-N 3.1Å; T20-F23 PolarHBondContact O-N 2.81Å; F21-F23 PolarHBondContact O-N 2.89Å; F23-W25 VanDerWaalsContact C-N 3.3Å; F23-W25 PolarHBondContact O-N 3.47Å; F23-I26 PolarHBondContact O-N 2.95Å; F23-S27 WeakPolarHBondContact O-CB 3.33Å; F23-S27 PolarHBondContact O-N 3.45Å; F23-S27 PolarHBondContact O-OG 3.34Å; F23-S27 VanDerWaalsContact O-OG 3.06Å
24	T	95.7	Very high	94.4	Very high	72 Å²	72	95 Å²	95	44%	0.442	47%	0.467	S	S	.	.	H	α-helix	trans	-61.2	-39	178.1	50.8	0	0	0	0	112.1	T20 F21 F28	T20-T24 HydrophobicContact CG2-CG2 4.34Å; T20-T24 WeakPolarHBondContact O-CB 3.47Å; T20-T24 VanDerWaalsContact O-CG2 3.27Å; T20-T24 WeakPolarHBondContact O-CG2 3.49Å; T20-T24 PolarHBondContact O-N 2.76Å; T20-T24 PolarHBondContact O-OG1 3.3Å; F21-T24 WeakPolarHBondContact CA-OG1 3.27Å; F21-T24 PolarHBondContact O-N 2.91Å; F21-T24 PolarHBondContact O-OG1 3.31Å; T24-F28 WeakPolarHBondContact O-CB 3.33Å; T24-F28 PolarHBondContact O-N 2.63Å
25	W	94.5	Very high	94.6	Very high	144 Å²	144	90.7 Å²	90.7	55%	0.545	46%	0.458	S	S	.	.	H	α-helix	trans	-63.2	-46.4	173.5	-178.9	64.8	0	0	0	112.3	F21 I22 F23 F28 K29	F21-W25 WeakPolarHBondContact O-CB 3.27Å; F21-W25 PolarHBondContact O-N 2.83Å; I22-W25 PolarHBondContact O-N 2.9Å; F23-W25 VanDerWaalsContact C-N 3.3Å; F23-W25 PolarHBondContact O-N 3.47Å; W25-F28 PolarHBondContact O-N 3.47Å; W25-K29 WeakPolarHBondContact O-CG 3.47Å; W25-K29 PolarHBondContact O-N 3.04Å
26	I	94.3	Very high	94.8	Very high	81 Å²	81	85.7 Å²	85.7	42%	0.415	43%	0.432	S	S	.	.	H	α-helix	trans	-61.8	-48	176.1	-69.3	168.2	0	0	0	110.6	I22 F23 F28 K29 L30	I22-I26 HydrophobicContact CG2-CD1 3.7Å; I22-I26 HydrophobicContact CG2-CG1 4.39Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.47Å; I22-I26 PolarHBondContact O-N 3.24Å; F23-I26 PolarHBondContact O-N 2.95Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 3.39Å; I26-K29 CarbonylContact O-C 3.5Å; I26-K29 PolarHBondContact O-N 2.86Å; I26-L30 HydrophobicContact CG2-CD1 4Å; I26-L30 HydrophobicContact CG2-CG 4.33Å; I26-L30 WeakPolarHBondContact O-CG 3.4Å; I26-L30 PolarHBondContact O-N 3.28Å
27	S	95.3	Very high	94.9	Very high	48 Å²	48	87.3 Å²	87.3	34%	0.336	43%	0.431	S	S	.	.	H	α-helix	trans	-58.4	-40.9	177	-61.3	0	0	0	0	111.8	F23 L30 S31	F23-S27 WeakPolarHBondContact O-CB 3.33Å; F23-S27 PolarHBondContact O-N 3.45Å; F23-S27 PolarHBondContact O-OG 3.34Å; F23-S27 VanDerWaalsContact O-OG 3.06Å; S27-L30 PolarHBondContact O-N 2.95Å; S27-S31 PolarHBondContact O-N 2.9Å
28	F	95.7	Very high	95.2	Very high	114 Å²	114	86.6 Å²	86.6	50%	0.5	43%	0.427	S	S	.	.	H	α-helix	trans	-63.1	-42.1	173.7	178.6	-101.7	0	0	0	111.9	T24 W25 I26 L30 S31 Q32	T24-F28 WeakPolarHBondContact O-CB 3.33Å; T24-F28 PolarHBondContact O-N 2.63Å; W25-F28 PolarHBondContact O-N 3.47Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 3.39Å; F28-L30 VanDerWaalsContact C-N 3.35Å; F28-L30 PolarHBondContact O-N 2.69Å; F28-S31 PolarHBondContact O-N 2.98Å; F28-S31 PolarHBondContact O-OG 2.92Å; F28-Q32 HydrophobicContact CE1-CG 4.23Å; F28-Q32 HydrophobicContact CZ-CG 4.25Å; F28-Q32 WeakPolarHBondContact O-CG 3.23Å; F28-Q32 PolarHBondContact O-N 3.41Å; F28-Q32 VanDerWaalsContact O-N 3.14Å
29	K	94.4	Very high	95.3	Very high	59 Å²	59	84.5 Å²	84.5	26%	0.257	42%	0.415	S	S	.	.	H	α-helix	trans	-65.5	-36.4	175	-67	-58.6	-178.6	-179.9	0	112.5	W25 I26 L33 Y291 L295	W25-K29 WeakPolarHBondContact O-CG 3.47Å; W25-K29 PolarHBondContact O-N 3.04Å; I26-K29 CarbonylContact O-C 3.5Å; I26-K29 PolarHBondContact O-N 2.86Å; K29-L33 PolarHBondContact O-N 3.37Å; K29-Y291 WeakPolarHBondContact CA-OH 3.48Å; K29-Y291 VanDerWaalsContact CB-OH 3.27Å; K29-Y291 WeakPolarHBondContact CB-OH 3.34Å; K29-Y291 VanDerWaalsContact CD-OH 3.25Å; K29-Y291 WeakPolarHBondContact CD-OH 3.15Å; K29-Y291 PolarHBondContact O-OH 3.33Å; K29-L295 HydrophobicContact CD-CD2 3.89Å
30	L	94.1	Very high	95.4	Very high	105 Å²	105	80.6 Å²	80.6	55%	0.55	39%	0.394	S	S	.	.	H	α-helix	trans	-68.6	-37.7	174.9	-69.9	173.9	0	0	0	111.9	I26 S27 F28 Q32 L33 L34	I26-L30 HydrophobicContact CG2-CD1 4Å; I26-L30 HydrophobicContact CG2-CG 4.33Å; I26-L30 WeakPolarHBondContact O-CG 3.4Å; I26-L30 PolarHBondContact O-N 3.28Å; S27-L30 PolarHBondContact O-N 2.95Å; F28-L30 VanDerWaalsContact C-N 3.35Å; F28-L30 PolarHBondContact O-N 2.69Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-Q32 PolarHBondContact O-N 3.29Å; L30-L33 HydrophobicContact CD2-CD1 4.4Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.31Å; L30-L34 PolarHBondContact O-N 3.23Å
31	S	95.5	Very high	95.5	Very high	48 Å²	48	79.2 Å²	79.2	34%	0.336	39%	0.385	S	S	.	.	H	α-helix	trans	-65.8	-37.2	176.7	74.5	0	0	0	0	112	S27 F28 L33 L34 L35	S27-S31 PolarHBondContact O-N 2.9Å; F28-S31 PolarHBondContact O-N 2.98Å; F28-S31 PolarHBondContact O-OG 2.92Å; S31-L33 VanDerWaalsContact C-N 3.35Å; S31-L33 PolarHBondContact O-N 2.84Å; S31-L34 WeakPolarHBondContact O-CB 3.17Å; S31-L34 PolarHBondContact O-N 3.13Å; S31-L35 WeakPolarHBondContact O-CG 3.12Å; S31-L35 PolarHBondContact O-N 3.09Å
32	Q	94.8	Very high	95.6	Very high	69 Å²	69	76.1 Å²	76.1	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-38.6	172.8	-64.3	-57.7	-45.2	0	0	112.6	F28 L30 L35 I36 Y291	F28-Q32 HydrophobicContact CE1-CG 4.23Å; F28-Q32 HydrophobicContact CZ-CG 4.25Å; F28-Q32 WeakPolarHBondContact O-CG 3.23Å; F28-Q32 PolarHBondContact O-N 3.41Å; F28-Q32 VanDerWaalsContact O-N 3.14Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-Q32 PolarHBondContact O-N 3.29Å; Q32-L35 PolarHBondContact O-N 3.01Å; Q32-I36 PolarHBondContact O-N 3.13Å; Q32-I36 VanDerWaalsContact O-N 3.09Å; Q32-Y291 HydrophobicContact CB-CE2 3.78Å
33	L	94.6	Very high	95.7	Very high	54 Å²	54	73 Å²	73	28%	0.283	36%	0.364	S	S	.	.	H	α-helix	trans	-64.3	-42.1	173.2	-77.4	171.1	0	0	0	112.1	K29 L30 S31 L35 I36 Y37 L288 Y291	K29-L33 PolarHBondContact O-N 3.37Å; L30-L33 HydrophobicContact CD2-CD1 4.4Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.31Å; S31-L33 VanDerWaalsContact C-N 3.35Å; S31-L33 PolarHBondContact O-N 2.84Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 2.85Å; L33-I36 WeakPolarHBondContact O-CB 3.18Å; L33-I36 PolarHBondContact O-N 3.16Å; L33-Y37 PolarHBondContact O-N 3.24Å; L33-Y37 VanDerWaalsContact O-N 3.09Å; L33-L288 HydrophobicContact CD2-CD2 3.88Å; L33-Y291 HydrophobicContact CD1-CE1 3.96Å; L33-Y291 HydrophobicContact CD2-CD1 3.36Å; L33-Y291 HydrophobicContact CD2-CE1 3.55Å; L33-Y291 HydrophobicContact CD2-CG 3.99Å; L33-Y291 HydrophobicContact CG-CD1 3.9Å; L33-Y291 HydrophobicContact CG-CE1 3.51Å
34	L	95.7	Very high	95.7	Very high	99 Å²	99	70 Å²	70	52%	0.518	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-41.6	174.5	179.1	62	0	0	0	111.3	L30 S31 I36 Y37 L38	L30-L34 PolarHBondContact O-N 3.23Å; S31-L34 WeakPolarHBondContact O-CB 3.17Å; S31-L34 PolarHBondContact O-N 3.13Å; L34-I36 VanDerWaalsContact C-N 3.31Å; L34-I36 PolarHBondContact O-N 2.79Å; L34-Y37 WeakPolarHBondContact O-CB 3.46Å; L34-Y37 PolarHBondContact O-N 3.41Å; L34-Y37 VanDerWaalsContact O-N 3.13Å; L34-L38 HydrophobicContact CD1-CD1 4.35Å; L34-L38 HydrophobicContact CD1-CG 4.16Å; L34-L38 HydrophobicContact CG-CD1 4Å; L34-L38 HydrophobicContact CG-CG 4.25Å; L34-L38 WeakPolarHBondContact O-CB 3.13Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 3.08Å
35	L	95.7	Very high	95.8	Very high	90 Å²	90	76.9 Å²	76.9	47%	0.471	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-37.8	176	-71.6	174.6	0	0	0	112.4	S31 Q32 L33 K39	S31-L35 WeakPolarHBondContact O-CG 3.12Å; S31-L35 PolarHBondContact O-N 3.09Å; Q32-L35 PolarHBondContact O-N 3.01Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 2.85Å; L35-K39 WeakPolarHBondContact O-CB 3.5Å; L35-K39 PolarHBondContact O-N 2.95Å
36	I	96.2	Very high	95.9	Very high	13 Å²	13	73.1 Å²	73.1	7%	0.067	36%	0.364	C	S	.	.	H	α-helix	trans	-60.1	-49.6	171.8	-69.8	167.2	0	0	0	110.1	Q32 L33 L34 K39 Y40 I284 E287 L288 Y291	Q32-I36 PolarHBondContact O-N 3.13Å; Q32-I36 VanDerWaalsContact O-N 3.09Å; L33-I36 WeakPolarHBondContact O-CB 3.18Å; L33-I36 PolarHBondContact O-N 3.16Å; L34-I36 VanDerWaalsContact C-N 3.31Å; L34-I36 PolarHBondContact O-N 2.79Å; I36-K39 PolarHBondContact O-N 2.73Å; I36-Y40 HydrophobicContact CG2-CD2 4.23Å; I36-Y40 HydrophobicContact CG2-CE2 4.49Å; I36-Y40 WeakPolarHBondContact O-CD2 3.44Å; I36-Y40 PolarHBondContact O-N 3Å; I36-Y40 VanDerWaalsContact O-N 3.13Å; I36-I284 HydrophobicContact CG2-CG1 4.49Å; I36-E287 HydrophobicContact CB-CG 4.42Å; I36-E287 HydrophobicContact CD1-CG 4.06Å; I36-E287 HydrophobicContact CG1-CG 3.94Å; I36-E287 HydrophobicContact CG2-CB 3.84Å; I36-E287 HydrophobicContact CG2-CG 3.66Å; I36-L288 HydrophobicContact CG2-CD2 4.11Å; I36-Y291 HydrophobicContact CD1-CD2 3.99Å; I36-Y291 HydrophobicContact CD1-CG 4.02Å
37	Y	96.1	Very high	96.1	Very high	137 Å²	137	75.7 Å²	75.7	54%	0.537	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-48.9	179.5	179.2	-95.7	0	0	0	112.1	L33 L34 K39 Y40 T41 I284	L33-Y37 PolarHBondContact O-N 3.24Å; L33-Y37 VanDerWaalsContact O-N 3.09Å; L34-Y37 WeakPolarHBondContact O-CB 3.46Å; L34-Y37 PolarHBondContact O-N 3.41Å; L34-Y37 VanDerWaalsContact O-N 3.13Å; Y37-K39 VanDerWaalsContact C-N 3.29Å; Y37-K39 PolarHBondContact O-N 3.45Å; Y37-Y40 PolarHBondContact O-N 2.79Å; Y37-T41 HydrophobicContact CD1-CG2 4.47Å; Y37-T41 HydrophobicContact CD2-CG2 4.37Å; Y37-T41 HydrophobicContact CE1-CG2 4.07Å; Y37-T41 HydrophobicContact CE2-CG2 3.96Å; Y37-T41 WeakPolarHBondContact O-CB 3.4Å; Y37-T41 WeakPolarHBondContact O-CG2 3.38Å; Y37-T41 PolarHBondContact O-N 2.56Å; Y37-T41 VanDerWaalsContact O-N 3.11Å; Y37-T41 PolarHBondContact O-OG1 3.35Å; Y37-I284 HydrophobicContact CD2-CD1 4.38Å
38	L	97.1	Very high	96.2	Very high	71 Å²	71	75.4 Å²	75.4	37%	0.372	37%	0.371	S	S	.	.	H	α-helix	trans	-60	-39.5	178.2	-70.4	176.3	0	0	0	111.7	L34 T41 V42 G43	L34-L38 HydrophobicContact CD1-CD1 4.35Å; L34-L38 HydrophobicContact CD1-CG 4.16Å; L34-L38 HydrophobicContact CG-CD1 4Å; L34-L38 HydrophobicContact CG-CG 4.25Å; L34-L38 WeakPolarHBondContact O-CB 3.13Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 3.08Å; L38-T41 WeakPolarHBondContact CA-OG1 3.42Å; L38-T41 CarbonylContact O-C 3.56Å; L38-T41 PolarHBondContact O-N 3.36Å; L38-T41 PolarHBondContact O-OG1 3.2Å; L38-V42 HydrophobicContact CD2-CG2 4.18Å; L38-V42 WeakPolarHBondContact O-CA 3.19Å; L38-V42 PolarHBondContact O-N 2.7Å; L38-G43 PolarHBondContact O-N 3Å
39	K	96.3	Very high	96.3	Very high	51 Å²	51	73.2 Å²	73.2	22%	0.222	36%	0.361	C	S	.	.	I	π-helix	trans	-61.3	-47.9	176.6	162.6	162.9	28.9	-172.6	0	112.7	L35 I36 Y37 T41 G43 K44 M273 E277	L35-K39 WeakPolarHBondContact O-CB 3.5Å; L35-K39 PolarHBondContact O-N 2.95Å; I36-K39 PolarHBondContact O-N 2.73Å; Y37-K39 VanDerWaalsContact C-N 3.29Å; Y37-K39 PolarHBondContact O-N 3.45Å; K39-T41 PolarHBondContact O-N 3.29Å; K39-G43 CarbonylContact O-C 3.58Å; K39-G43 WeakPolarHBondContact O-CA 3.26Å; K39-K44 PolarHBondContact O-N 3.23Å; K39-M273 HydrophobicContact CD-CE 4.35Å; K39-M273 HydrophobicContact CG-CE 3.79Å; K39-E277 HydrophobicContact CD-CG 3.45Å; K39-E277 VanDerWaalsContact CD-CG 3.45Å; K39-E277 VanDerWaalsContact CD-OE1 3.29Å; K39-E277 WeakPolarHBondContact CD-OE1 3.44Å; K39-E277 HydrophobicContact CG-CG 4.45Å; K39-E277 IonicContact NZ-OE1 3.57Å; K39-E277 PolarHBondContact NZ-OE1 3.5Å
40	Y	97.3	Very high	96.5	Very high	13 Å²	13	71.1 Å²	71.1	5%	0.051	35%	0.352	C	S	.	.	I	π-helix	trans	-80.7	-3.3	-178.1	-79.3	-92.2	0	0	0	114.1	I36 Y37 K44 M273 T281 G282 I284 E287	I36-Y40 HydrophobicContact CG2-CD2 4.23Å; I36-Y40 HydrophobicContact CG2-CE2 4.49Å; I36-Y40 WeakPolarHBondContact O-CD2 3.44Å; I36-Y40 PolarHBondContact O-N 3Å; I36-Y40 VanDerWaalsContact O-N 3.13Å; Y37-Y40 PolarHBondContact O-N 2.79Å; Y40-K44 WeakPolarHBondContact O-CE 3.29Å; Y40-K44 PolarHBondContact O-NZ 3.12Å; Y40-K44 VanDerWaalsContact O-NZ 3.1Å; Y40-M273 HydrophobicContact CD1-CE 4.11Å; Y40-M273 HydrophobicContact CD1-CG 4.03Å; Y40-M273 HydrophobicContact CD1-SD 3.68Å; Y40-M273 HydrophobicContact CE1-CE 4.07Å; Y40-M273 HydrophobicContact CE1-CG 3.76Å; Y40-M273 HydrophobicContact CE1-SD 3.94Å; Y40-M273 HydrophobicContact CE2-CE 4.47Å; Y40-M273 HydrophobicContact CG-CE 4.36Å; Y40-M273 HydrophobicContact CG-SD 4.26Å; Y40-T281 PolarHBondContact OH-OG1 3.4Å; Y40-G282 PolarHBondContact OH-N 2.84Å; Y40-I284 HydrophobicContact CD1-CB 3.92Å; Y40-I284 HydrophobicContact CD2-CB 4.37Å; Y40-I284 HydrophobicContact CD2-CG1 4.25Å; Y40-I284 HydrophobicContact CE1-CB 4.48Å; Y40-I284 HydrophobicContact CG-CB 3.84Å; Y40-I284 HydrophobicContact CG-CD1 4.46Å; Y40-I284 HydrophobicContact CG-CG1 4.03Å; Y40-E287 HydrophobicContact CE2-CB 3.74Å; Y40-E287 HydrophobicContact CE2-CG 3.7Å; Y40-E287 PolarHBondContact OH-OE2 3.26Å
41	T	96.5	Very high	96.6	Very high	42 Å²	42	73.2 Å²	73.2	26%	0.258	36%	0.356	S	S	.	.	I	π-helix	trans	-113.1	-82.4	175.4	54.5	0	0	0	0	111.1	Y37 L38 K39 W45	Y37-T41 HydrophobicContact CD1-CG2 4.47Å; Y37-T41 HydrophobicContact CD2-CG2 4.37Å; Y37-T41 HydrophobicContact CE1-CG2 4.07Å; Y37-T41 HydrophobicContact CE2-CG2 3.96Å; Y37-T41 WeakPolarHBondContact O-CB 3.4Å; Y37-T41 WeakPolarHBondContact O-CG2 3.38Å; Y37-T41 PolarHBondContact O-N 2.56Å; Y37-T41 VanDerWaalsContact O-N 3.11Å; Y37-T41 PolarHBondContact O-OG1 3.35Å; L38-T41 WeakPolarHBondContact CA-OG1 3.42Å; L38-T41 CarbonylContact O-C 3.56Å; L38-T41 PolarHBondContact O-N 3.36Å; L38-T41 PolarHBondContact O-OG1 3.2Å; K39-T41 PolarHBondContact O-N 3.29Å; T41-W45 WeakPolarHBondContact O-CB 3.44Å; T41-W45 PolarHBondContact O-N 3.05Å
42	V	97.1	Very high	96.7	Very high	76 Å²	76	73.4 Å²	73.4	46%	0.461	36%	0.355	S	S	.	.	I	π-helix	trans	-65.9	-47.4	-178.2	-177.2	0	0	0	0	111.4	L38 K44 W45 C46	L38-V42 HydrophobicContact CD2-CG2 4.18Å; L38-V42 WeakPolarHBondContact O-CA 3.19Å; L38-V42 PolarHBondContact O-N 2.7Å; V42-K44 PolarHBondContact O-N 3.48Å; V42-W45 PolarHBondContact O-N 3.03Å; V42-W45 VanDerWaalsContact O-N 3.15Å; V42-C46 WeakPolarHBondContact O-CB 3.44Å; V42-C46 PolarHBondContact O-N 3.3Å; V42-C46 PolarHBondContact O-SG 3.43Å; V42-C46 VanDerWaalsContact O-SG 3.35Å
43	G	96.3	Very high	96.9	Very high	11 Å²	11	70.1 Å²	70.1	11%	0.113	34%	0.34	C	S	.	.	I	π-helix	trans	-60.5	-46.8	-179.9	0	0	0	0	0	112	L38 K39 W45 C46 F47	L38-G43 PolarHBondContact O-N 3Å; K39-G43 CarbonylContact O-C 3.58Å; K39-G43 WeakPolarHBondContact O-CA 3.26Å; G43-W45 PolarHBondContact O-N 3.32Å; G43-C46 PolarHBondContact O-N 2.91Å; G43-F47 WeakPolarHBondContact O-CB 3.23Å; G43-F47 VanDerWaalsContact O-CD2 3.29Å; G43-F47 WeakPolarHBondContact O-CD2 3.18Å; G43-F47 PolarHBondContact O-N 2.89Å
44	K	97.2	Very high	97	Very high	74 Å²	74	72.9 Å²	72.9	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-56.4	-47.3	171.8	-175.6	-171.8	73.8	-166.5	0	112.2	K39 Y40 V42 S48 D272 M273	K39-K44 PolarHBondContact O-N 3.23Å; Y40-K44 WeakPolarHBondContact O-CE 3.29Å; Y40-K44 PolarHBondContact O-NZ 3.12Å; Y40-K44 VanDerWaalsContact O-NZ 3.1Å; V42-K44 PolarHBondContact O-N 3.48Å; K44-S48 WeakPolarHBondContact O-CB 3.29Å; K44-S48 PolarHBondContact O-N 3.37Å; K44-S48 VanDerWaalsContact O-N 3.14Å; K44-D272 HydrophobicContact CD-CB 3.91Å; K44-D272 HydrophobicContact CG-CB 4.22Å; K44-M273 HydrophobicContact CB-SD 3.82Å; K44-M273 HydrophobicContact CD-SD 4.2Å; K44-M273 HydrophobicContact CG-SD 3.92Å
45	W	97.1	Very high	97.2	Very high	215 Å²	215	75.7 Å²	75.7	81%	0.814	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-41.1	-179.7	178.4	69.7	0	0	0	112.6	T41 V42 G43	T41-W45 WeakPolarHBondContact O-CB 3.44Å; T41-W45 PolarHBondContact O-N 3.05Å; V42-W45 PolarHBondContact O-N 3.03Å; V42-W45 VanDerWaalsContact O-N 3.15Å; G43-W45 PolarHBondContact O-N 3.32Å
46	C	97.3	Very high	97.3	Very high	66 Å²	66	71.5 Å²	71.5	45%	0.446	33%	0.333	S	S	.	.	H	α-helix	trans	-79.5	-36.5	-178.4	-66.9	0	0	0	0	114.1	V42 G43	V42-C46 WeakPolarHBondContact O-CB 3.44Å; V42-C46 PolarHBondContact O-N 3.3Å; V42-C46 PolarHBondContact O-SG 3.43Å; V42-C46 VanDerWaalsContact O-SG 3.35Å; G43-C46 PolarHBondContact O-N 2.91Å
47	F	97.5	Very high	97.4	Very high	134 Å²	134	71 Å²	71	59%	0.588	33%	0.331	S	S	*	.	H	α-helix	trans	-118.9	-2.7	-163.3	-55.3	-62.1	0	0	0	114.8	G43 K49 V276	G43-F47 WeakPolarHBondContact O-CB 3.23Å; G43-F47 VanDerWaalsContact O-CD2 3.29Å; G43-F47 WeakPolarHBondContact O-CD2 3.18Å; G43-F47 PolarHBondContact O-N 2.89Å; F47-K49 PolarHBondContact O-N 2.94Å; F47-V276 HydrophobicContact CB-CG2 4.35Å
48	S	98.2	Very high	97.5	Very high	43 Å²	43	68.2 Å²	68.2	30%	0.301	32%	0.323	S	S	.	.			trans	-61.5	124	177.5	-175.8	0	0	0	0	111.3	K44 R50 D272	K44-S48 WeakPolarHBondContact O-CB 3.29Å; K44-S48 PolarHBondContact O-N 3.37Å; K44-S48 VanDerWaalsContact O-N 3.14Å; S48-R50 WeakPolarHBondContact OG-CB 3.48Å; S48-R50 PolarHBondContact OG-N 2.69Å; S48-D272 WeakPolarHBondContact CB-O 3.47Å; S48-D272 PolarHBondContact OG-O 3.06Å
49	K	97.7	Very high	97.6	Very high	67 Å²	67	65.1 Å²	65.1	29%	0.291	31%	0.306	S	S	.	.			trans	-94.8	8.8	174.7	-60.4	-172.7	-169.2	178.3	0	112.1	F47 K51 T52 N237 Y274	F47-K49 PolarHBondContact O-N 2.94Å; K49-K51 VanDerWaalsContact C-N 3.25Å; K49-K51 PolarHBondContact O-N 3.03Å; K49-T52 HydrophobicContact CB-CG2 4.49Å; K49-T52 PolarHBondContact O-N 3.37Å; K49-T52 PolarHBondContact O-OG1 3.45Å; K49-N237 PolarHBondContact NZ-OD1 3.44Å; K49-Y274 HydrophobicContact CB-CD1 3.8Å; K49-Y274 HydrophobicContact CB-CE1 3.91Å; K49-Y274 PolarHBondContact N-O 3.18Å
50	R	98	Very high	97.7	Very high	16 Å²	16	62.7 Å²	62.7	6%	0.06	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-50.8	-46.3	-179.2	176.9	174.3	172.8	152.6	12.9	111.8	S48 T52 L53 E76 E80 K268 L271 D272	S48-R50 WeakPolarHBondContact OG-CB 3.48Å; S48-R50 PolarHBondContact OG-N 2.69Å; R50-T52 PolarHBondContact O-N 3.27Å; R50-L53 WeakPolarHBondContact O-CB 3.25Å; R50-L53 WeakPolarHBondContact O-CD1 3.37Å; R50-L53 WeakPolarHBondContact O-CG 3.44Å; R50-L53 PolarHBondContact O-N 2.88Å; R50-E76 IonicContact CZ-OE2 3.46Å; R50-E76 IonicContact NH1-OE2 3.31Å; R50-E76 PolarHBondContact NH1-OE2 3.41Å; R50-E76 PolarHBondContact NH2-O 3.03Å; R50-E76 IonicContact NH2-OE2 3.28Å; R50-E76 PolarHBondContact NH2-OE2 3.43Å; R50-E80 HydrophobicContact CG-CG 4.3Å; R50-E80 IonicContact CZ-OE1 2.65Å; R50-E80 IonicContact NE-OE1 3.45Å; R50-E80 PolarHBondContact NE-OE1 3.47Å; R50-E80 IonicContact NH2-OE1 2.69Å; R50-E80 PolarHBondContact NH2-OE1 2.91Å; R50-K268 PolarHBondContact NH1-O 2.85Å; R50-L271 HydrophobicContact CG-CD2 4.34Å; R50-L271 HydrophobicContact CG-CG 4.03Å; R50-D272 VanDerWaalsContact CD-OD1 3.23Å; R50-D272 WeakPolarHBondContact CD-OD1 3.39Å; R50-D272 IonicContact CZ-OD1 2.61Å; R50-D272 IonicContact NE-OD1 3.53Å; R50-D272 IonicContact NH1-OD1 3.38Å; R50-D272 PolarHBondContact NH1-OD1 3.05Å
51	K	96.7	Very high	97.8	Very high	148 Å²	148	62.1 Å²	62.1	64%	0.643	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-72.5	-7.7	-179.9	-62.2	-51.5	-170.6	-174.9	0	114.7	K49 E80	K49-K51 VanDerWaalsContact C-N 3.25Å; K49-K51 PolarHBondContact O-N 3.03Å; K51-E80 WeakPolarHBondContact CD-OE2 3.45Å; K51-E80 IonicContact NZ-OE1 2.81Å; K51-E80 PolarHBondContact NZ-OE1 3.48Å; K51-E80 IonicContact NZ-OE2 2.76Å; K51-E80 PolarHBondContact NZ-OE2 2.95Å
52	T	97.4	Very high	97.9	Very high	52 Å²	52	60.1 Å²	60.1	32%	0.319	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-91	-11.4	175.6	76	0	0	0	0	112.7	K49 R50 R54 K55 A56	K49-T52 HydrophobicContact CB-CG2 4.49Å; K49-T52 PolarHBondContact O-N 3.37Å; K49-T52 PolarHBondContact O-OG1 3.45Å; R50-T52 PolarHBondContact O-N 3.27Å; T52-R54 PolarHBondContact O-N 3.49Å; T52-K55 WeakPolarHBondContact O-CB 3.45Å; T52-K55 PolarHBondContact O-N 3.03Å; T52-A56 PolarHBondContact O-N 2.84Å
53	L	98.3	Very high	98	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-44.6	-175.9	-74.8	168.6	0	0	0	112.7	R50 K55 A56 L77 L82 A136 C137 L271 Y274	R50-L53 WeakPolarHBondContact O-CB 3.25Å; R50-L53 WeakPolarHBondContact O-CD1 3.37Å; R50-L53 WeakPolarHBondContact O-CG 3.44Å; R50-L53 PolarHBondContact O-N 2.88Å; L53-K55 PolarHBondContact O-N 3.39Å; L53-A56 WeakPolarHBondContact O-CA 3.39Å; L53-A56 VanDerWaalsContact O-CB 3.29Å; L53-A56 WeakPolarHBondContact O-CB 3.45Å; L53-A56 PolarHBondContact O-N 3.37Å; L53-L77 HydrophobicContact CD1-CD2 3.82Å; L53-L82 HydrophobicContact CB-CD1 4.07Å; L53-A136 WeakPolarHBondContact O-CB 3.36Å; L53-C137 HydrophobicContact CD2-CB 4.07Å; L53-L271 HydrophobicContact CD1-CD1 3.88Å; L53-Y274 HydrophobicContact CD1-CD1 4.22Å; L53-Y274 HydrophobicContact CD1-CE1 4.38Å; L53-Y274 HydrophobicContact CD2-CD1 4.02Å; L53-Y274 HydrophobicContact CD2-CE1 3.36Å; L53-Y274 HydrophobicContact CD2-CE2 4.41Å; L53-Y274 HydrophobicContact CG-CD1 4.03Å; L53-Y274 HydrophobicContact CG-CE1 3.77Å
54	R	98.2	Very high	98.1	Very high	112 Å²	112	56.5 Å²	56.5	42%	0.423	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-29.2	177.1	-179.9	58.9	-174	-170.3	7.6	113.5	T52 A56 G57 S81	T52-R54 PolarHBondContact O-N 3.49Å; R54-A56 VanDerWaalsContact C-N 3.28Å; R54-G57 VanDerWaalsContact O-O 3.12Å; R54-S81 PolarHBondContact NH1-O 2.9Å
55	K	98.1	Very high	98.1	Very high	159 Å²	159	53 Å²	53	69%	0.691	24%	0.244	S	C	*	.	H	α-helix	trans	-77.4	-18	174.7	-63.3	-176.8	179.6	-179.2	0	112.2	T52 L53 E190 P191	T52-K55 WeakPolarHBondContact O-CB 3.45Å; T52-K55 PolarHBondContact O-N 3.03Å; L53-K55 PolarHBondContact O-N 3.39Å; K55-E190 WeakPolarHBondContact O-CB 3.11Å; K55-P191 WeakPolarHBondContact O-CD 3.45Å
56	A	98.3	Very high	98.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-84.6	-11.7	-179.7	0	0	0	0	0	113.5	T52 L53 R54 A136 Q188 E190 P191 N192	T52-A56 PolarHBondContact O-N 2.84Å; L53-A56 WeakPolarHBondContact O-CA 3.39Å; L53-A56 VanDerWaalsContact O-CB 3.29Å; L53-A56 WeakPolarHBondContact O-CB 3.45Å; L53-A56 PolarHBondContact O-N 3.37Å; R54-A56 VanDerWaalsContact C-N 3.28Å; A56-A136 HydrophobicContact CB-CB 4.23Å; A56-Q188 PolarHBondContact O-NE2 3.1Å; A56-E190 VanDerWaalsContact C-CB 3.45Å; A56-E190 VanDerWaalsContact O-CB 3.23Å; A56-E190 WeakPolarHBondContact O-CB 3.4Å; A56-P191 WeakPolarHBondContact CA-O 3.35Å; A56-P191 WeakPolarHBondContact CB-O 3.23Å; A56-N192 WeakPolarHBondContact CB-O 3.36Å
57	G	98.4	Very high	98.1	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.021	20%	0.202	C	C	.	.			trans	161	174.9	177	0	0	0	0	0	112.2	R54 L82 T134	R54-G57 VanDerWaalsContact O-O 3.12Å; G57-L82 VanDerWaalsContact O-CD2 3.26Å; G57-L82 WeakPolarHBondContact O-CD2 3.28Å; G57-T134 VanDerWaalsContact CA-OG1 3.29Å; G57-T134 WeakPolarHBondContact CA-OG1 3.45Å
58	E	98.5	Very high	98.1	Very high	80 Å²	80	36.3 Å²	36.3	37%	0.374	18%	0.179	S	C	.	.	S	Bend	trans	-89.3	-31.3	-178.2	-67.5	-175.7	168.9	0	0	113.3	N83 S133 T134	E58-N83 PolarHBondContact O-N 3.25Å; E58-S133 WeakPolarHBondContact OE2-CB 3.17Å; E58-S133 PolarHBondContact OE2-OG 3.33Å; E58-T134 PolarHBondContact N-O 3.08Å; E58-T134 VanDerWaalsContact N-O 3.16Å; E58-T134 PolarHBondContact N-OG1 3.43Å
59	W	98.9	Very high	98.1	Very high	6 Å²	6	35.4 Å²	35.4	2%	0.023	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.1	-172.5	-68.9	82.7	0	0	0	113.1	N83 M85 Q108 R110 L132 S133 T134 I135 A136	W59-N83 CarbonylContact C-O 3.56Å; W59-N83 VanDerWaalsContact CA-O 3.31Å; W59-N83 WeakPolarHBondContact CA-O 3.41Å; W59-N83 HydrophobicContact CD2-CB 3.43Å; W59-N83 VanDerWaalsContact CD2-CB 3.43Å; W59-N83 HydrophobicContact CE3-CB 3.51Å; W59-N83 HydrophobicContact CG-CB 4.03Å; W59-N83 HydrophobicContact CH2-CB 3.87Å; W59-N83 HydrophobicContact CZ2-CB 3.82Å; W59-N83 HydrophobicContact CZ3-CB 3.73Å; W59-M85 HydrophobicContact CE3-CB 4.3Å; W59-Q108 HydrophobicContact CH2-CB 3.79Å; W59-Q108 HydrophobicContact CZ2-CB 4.13Å; W59-R110 HydrophobicContact CH2-CB 4.42Å; W59-R110 HydrophobicContact CH2-CG 3.76Å; W59-R110 HydrophobicContact CZ3-CB 4.18Å; W59-R110 HydrophobicContact CZ3-CG 4.04Å; W59-L132 HydrophobicContact CB-CB 4.47Å; W59-L132 HydrophobicContact CB-CD1 4.11Å; W59-L132 HydrophobicContact CD2-CB 4.46Å; W59-L132 HydrophobicContact CD2-CD1 4.33Å; W59-L132 HydrophobicContact CD2-CD2 3.65Å; W59-L132 HydrophobicContact CD2-CG 4.36Å; W59-L132 HydrophobicContact CE3-CD1 4.41Å; W59-L132 HydrophobicContact CE3-CD2 3.79Å; W59-L132 HydrophobicContact CG-CB 4.06Å; W59-L132 HydrophobicContact CG-CD1 4.2Å; W59-L132 HydrophobicContact CG-CD2 4.13Å; W59-L132 HydrophobicContact CG-CG 4.35Å; W59-L132 HydrophobicContact CH2-CD2 4.33Å; W59-L132 HydrophobicContact CZ2-CD2 4.18Å; W59-L132 HydrophobicContact CZ3-CD2 4.12Å; W59-S133 PolarHBondContact NE1-OG 3.4Å; W59-T134 WeakPolarHBondContact CB-O 3.31Å; W59-T134 PolarHBondContact N-O 2.91Å; W59-I135 CarbonylContact O-C 3.15Å; W59-I135 WeakPolarHBondContact O-CA 3.28Å; W59-A136 PolarHBondContact O-N 3.31Å
60	A	98.9	Very high	98.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.1	159.6	0	0	0	0	0	110.4	L77 L82 N83 I84 M85 C137	A60-L77 HydrophobicContact CB-CB 4.23Å; A60-L77 HydrophobicContact CB-CD1 3.8Å; A60-L77 HydrophobicContact CB-CG 4.43Å; A60-L82 HydrophobicContact CB-CB 4.38Å; A60-L82 HydrophobicContact CB-CD1 4.21Å; A60-N83 PolarHBondContact N-O 3.36Å; A60-I84 HydrophobicContact CB-CD1 4.11Å; A60-I84 WeakPolarHBondContact O-CA 3.39Å; A60-M85 PolarHBondContact O-N 2.9Å; A60-C137 CarbonylContact C-O 3.57Å; A60-C137 VanDerWaalsContact CA-O 3.29Å; A60-C137 WeakPolarHBondContact CA-O 3.27Å; A60-C137 HydrophobicContact CB-CB 4.44Å
61	V	98.9	Very high	98.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.9	175.5	-175.5	0	0	0	0	108.6	M85 I87 I129 L132 I135 C137 L138 V139 M177 I181	V61-M85 WeakPolarHBondContact CA-O 3.38Å; V61-M85 HydrophobicContact CB-CB 4.45Å; V61-M85 HydrophobicContact CG1-CB 4.4Å; V61-M85 HydrophobicContact CG1-CG 4.09Å; V61-M85 HydrophobicContact CG2-CB 4.09Å; V61-M85 HydrophobicContact CG2-CG 4.39Å; V61-I87 HydrophobicContact CG1-CD1 3.77Å; V61-I87 HydrophobicContact CG1-CG1 4.46Å; V61-I129 HydrophobicContact CG1-CD1 3.9Å; V61-I129 HydrophobicContact CG2-CD1 3.83Å; V61-L132 HydrophobicContact CG2-CD1 3.99Å; V61-I135 HydrophobicContact CG2-CD1 4.28Å; V61-I135 HydrophobicContact CG2-CG2 4.08Å; V61-C137 PolarHBondContact N-O 2.86Å; V61-L138 HydrophobicContact CB-CD1 4.09Å; V61-L138 HydrophobicContact CG1-CD1 4.11Å; V61-L138 CarbonylContact O-C 3.47Å; V61-L138 WeakPolarHBondContact O-CA 3.2Å; V61-V139 PolarHBondContact O-N 2.96Å; V61-M177 HydrophobicContact CG1-CE 4.17Å; V61-I181 HydrophobicContact CB-CD1 3.97Å; V61-I181 HydrophobicContact CG1-CD1 3.89Å; V61-I181 HydrophobicContact CG2-CD1 3.96Å
62	V	98.9	Very high	98.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.6	-176.8	-173.9	0	0	0	0	109.9	A65 G70 A74 L77 I84 M85 I87 V139	V62-A65 HydrophobicContact CB-CB 4.15Å; V62-A65 HydrophobicContact CG1-CB 3.99Å; V62-A65 WeakPolarHBondContact O-CB 3.27Å; V62-G70 WeakPolarHBondContact CG1-O 3.46Å; V62-A74 HydrophobicContact CG2-CB 4.39Å; V62-L77 HydrophobicContact CG2-CD1 3.97Å; V62-I84 HydrophobicContact CG2-CG2 4.45Å; V62-M85 PolarHBondContact N-O 2.82Å; V62-I87 PolarHBondContact O-N 3.23Å; V62-V139 HydrophobicContact CB-CB 4.43Å; V62-V139 HydrophobicContact CG1-CB 4.13Å; V62-V139 HydrophobicContact CG1-CG1 4.4Å; V62-V139 HydrophobicContact CG2-CB 4.18Å; V62-V139 HydrophobicContact CG2-CG2 4.13Å
63	T	98.7	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	146.7	176.6	59.7	0	0	0	0	111.3	A65 I87 F116 V139 N140 N141 V142 M177	T63-A65 VanDerWaalsContact C-N 3.3Å; T63-I87 CarbonylContact C-O 3.52Å; T63-F116 HydrophobicContact CG2-CE2 4.23Å; T63-F116 HydrophobicContact CG2-CZ 3.82Å; T63-V139 PolarHBondContact N-O 3.38Å; T63-V139 PolarHBondContact OG1-O 3.37Å; T63-N140 WeakPolarHBondContact OG1-CA 3.34Å; T63-N141 VanDerWaalsContact O-CB 3.32Å; T63-N141 WeakPolarHBondContact O-CB 3.43Å; T63-N141 PolarHBondContact O-ND2 3.03Å; T63-N141 PolarHBondContact OG1-N 3.49Å; T63-V142 PolarHBondContact O-N 3.32Å; T63-V142 PolarHBondContact OG1-N 3.06Å; T63-V142 VanDerWaalsContact OG1-N 3.13Å; T63-M177 HydrophobicContact CG2-CE 4.4Å; T63-M177 HydrophobicContact CG2-CG 4.19Å
64	G	98.2	Very high	98.4	Very high	11 Å²	11	23.8 Å²	23.8	11%	0.113	12%	0.117	C	C	.	.	S	Bend	trans	63.4	38.8	-172.8	0	0	0	0	0	111.7	G70 I87 N141	G64-G70 WeakPolarHBondContact O-CA 3.34Å; G64-I87 PolarHBondContact N-O 3.18Å; G64-N141 PolarHBondContact O-ND2 3.31Å
65	A	98.2	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.8	-168.9	0	0	0	0	0	114.8	V62 T63 S67 E71 L86 I87 L94	V62-A65 HydrophobicContact CB-CB 4.15Å; V62-A65 HydrophobicContact CG1-CB 3.99Å; V62-A65 WeakPolarHBondContact O-CB 3.27Å; T63-A65 VanDerWaalsContact C-N 3.3Å; A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 3.31Å; A65-E71 WeakPolarHBondContact O-CA 3.42Å; A65-E71 WeakPolarHBondContact O-CB 3.38Å; A65-L86 HydrophobicContact CB-CB 3.82Å; A65-L86 HydrophobicContact CB-CD2 4.09Å; A65-L86 HydrophobicContact CB-CG 4.17Å; A65-I87 PolarHBondContact N-O 2.81Å; A65-L94 HydrophobicContact CB-CD1 4.24Å
66	S	97.2	Very high	98.4	Very high	8 Å²	8	11.5 Å²	11.5	6%	0.056	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.9	179.9	58.9	0	0	0	0	113.4	S88 Q93	S66-S88 WeakPolarHBondContact CB-OG 3.31Å; S66-S88 WeakPolarHBondContact OG-CB 3.41Å; S66-S88 PolarHBondContact OG-OG 2.88Å; S66-Q93 WeakPolarHBondContact O-CG 3.24Å; S66-Q93 PolarHBondContact O-NE2 3.1Å
67	S	97.2	Very high	98.5	Very high	47 Å²	47	11.5 Å²	11.5	33%	0.329	7%	0.066	S	C	.	.	S	Bend	trans	-156.7	170.9	178.9	70.6	0	0	0	0	114.2	A65 I69 G70 E71	A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 3.31Å; S67-I69 PolarHBondContact O-N 2.84Å; S67-G70 PolarHBondContact O-N 3.07Å; S67-E71 WeakPolarHBondContact CA-OE2 3.33Å; S67-E71 PolarHBondContact O-N 3.32Å
68	G	97.5	Very high	98.5	Very high	10 Å²	10	11.5 Å²	11.5	10%	0.103	7%	0.066	C	C	.	.	H	α-helix	trans	62.6	-133.3	165.9	0	0	0	0	0	113	A72 A263	G68-A72 WeakPolarHBondContact O-CB 3.29Å; G68-A72 PolarHBondContact O-N 2.9Å; G68-A72 VanDerWaalsContact O-N 3.09Å; G68-A263 VanDerWaalsContact C-CB 3.44Å; G68-A263 VanDerWaalsContact O-CB 3.31Å; G68-A263 WeakPolarHBondContact O-CB 3.49Å
69	I	98.2	Very high	98.5	Very high	24 Å²	24	12.2 Å²	12.2	12%	0.123	7%	0.068	C	C	.	.	H	α-helix	trans	-65.1	-40.8	-175.2	-61.9	166.3	0	0	0	110.9	S67 A72 Y73 N141 I246 T248 Y266	S67-I69 PolarHBondContact O-N 2.84Å; I69-A72 PolarHBondContact O-N 3.49Å; I69-Y73 HydrophobicContact CG2-CD2 3.65Å; I69-Y73 HydrophobicContact CG2-CE2 3.89Å; I69-Y73 WeakPolarHBondContact O-CB 3.27Å; I69-Y73 WeakPolarHBondContact O-CD2 3.42Å; I69-Y73 PolarHBondContact O-N 3.48Å; I69-N141 WeakPolarHBondContact CB-OD1 3.46Å; I69-N141 WeakPolarHBondContact CG2-OD1 3.48Å; I69-I246 HydrophobicContact CD1-CB 4.44Å; I69-I246 HydrophobicContact CD1-CD1 3.39Å; I69-I246 HydrophobicContact CG1-CD1 4.02Å; I69-I246 HydrophobicContact CG1-CG2 4.24Å; I69-T248 HydrophobicContact CG1-CG2 4.12Å; I69-Y266 HydrophobicContact CD1-CE1 4.47Å; I69-Y266 HydrophobicContact CG1-CD1 4.3Å; I69-Y266 HydrophobicContact CG2-CD1 4.15Å; I69-Y266 HydrophobicContact CG2-CE1 4.11Å
70	G	98.5	Very high	98.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.5	-47.3	-179.2	0	0	0	0	0	112.2	V62 G64 S67 A72 Y73 A74 N141	V62-G70 WeakPolarHBondContact CG1-O 3.46Å; G64-G70 WeakPolarHBondContact O-CA 3.34Å; S67-G70 PolarHBondContact O-N 3.07Å; G70-A72 VanDerWaalsContact C-N 3.31Å; G70-A72 PolarHBondContact O-N 3.36Å; G70-Y73 PolarHBondContact O-N 2.88Å; G70-A74 PolarHBondContact O-N 2.77Å; G70-N141 VanDerWaalsContact CA-ND2 3.26Å; G70-N141 WeakPolarHBondContact CA-ND2 3.49Å; G70-N141 PolarHBondContact N-ND2 2.95Å
71	E	98.6	Very high	98.4	Very high	38 Å²	38	16.1 Å²	16.1	18%	0.178	9%	0.094	C	C	.	.	H	α-helix	trans	-56.8	-45.7	173	177.9	-176.2	-177	0	0	111.4	A65 S67 Y73 A74 E75 V97 R100	A65-E71 WeakPolarHBondContact O-CA 3.42Å; A65-E71 WeakPolarHBondContact O-CB 3.38Å; S67-E71 WeakPolarHBondContact CA-OE2 3.33Å; S67-E71 PolarHBondContact O-N 3.32Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 3.34Å; E71-A74 WeakPolarHBondContact O-CB 3.4Å; E71-A74 PolarHBondContact O-N 2.98Å; E71-E75 PolarHBondContact O-N 2.86Å; E71-V97 HydrophobicContact CG-CG1 3.89Å; E71-V97 HydrophobicContact CG-CG2 4.06Å; E71-R100 IonicContact OE1-CZ 3.39Å; E71-R100 IonicContact OE1-NH2 2.69Å; E71-R100 PolarHBondContact OE1-NH2 3.4Å
72	A	98.7	Very high	98.4	Very high	2 Å²	2	16.1 Å²	16.1	2%	0.017	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-36.3	179.2	0	0	0	0	0	112.7	G68 I69 G70 E75 E76 A263 K264 A267	G68-A72 WeakPolarHBondContact O-CB 3.29Å; G68-A72 PolarHBondContact O-N 2.9Å; G68-A72 VanDerWaalsContact O-N 3.09Å; I69-A72 PolarHBondContact O-N 3.49Å; G70-A72 VanDerWaalsContact C-N 3.31Å; G70-A72 PolarHBondContact O-N 3.36Å; A72-E75 PolarHBondContact O-N 3.14Å; A72-E76 WeakPolarHBondContact O-CG 3.45Å; A72-E76 PolarHBondContact O-N 2.9Å; A72-A263 HydrophobicContact CB-CB 4Å; A72-A263 WeakPolarHBondContact CB-O 3.31Å; A72-K264 HydrophobicContact CB-CG 4.33Å; A72-A267 HydrophobicContact CB-CB 3.54Å
73	Y	98.7	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.7	-43.4	172.7	-102.3	-87.3	0	0	0	112	I69 G70 E71 E75 E76 L77 V139 I196 I198 L241 Y266 A267 S270 L271	I69-Y73 HydrophobicContact CG2-CD2 3.65Å; I69-Y73 HydrophobicContact CG2-CE2 3.89Å; I69-Y73 WeakPolarHBondContact O-CB 3.27Å; I69-Y73 WeakPolarHBondContact O-CD2 3.42Å; I69-Y73 PolarHBondContact O-N 3.48Å; G70-Y73 PolarHBondContact O-N 2.88Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 3.34Å; Y73-E75 VanDerWaalsContact C-N 3.29Å; Y73-E75 PolarHBondContact O-N 3.09Å; Y73-E76 PolarHBondContact O-N 2.85Å; Y73-L77 HydrophobicContact CD1-CD1 4.33Å; Y73-L77 WeakPolarHBondContact O-CB 3.42Å; Y73-L77 WeakPolarHBondContact O-CD1 3.24Å; Y73-L77 VanDerWaalsContact O-CG 3.24Å; Y73-L77 WeakPolarHBondContact O-CG 3.08Å; Y73-L77 PolarHBondContact O-N 3.4Å; Y73-V139 HydrophobicContact CD1-CG1 4.07Å; Y73-V139 HydrophobicContact CD1-CG2 3.95Å; Y73-V139 HydrophobicContact CG-CG1 4.06Å; Y73-I196 HydrophobicContact CE1-CD1 3.97Å; Y73-I196 HydrophobicContact CE1-CG2 4.31Å; Y73-I198 HydrophobicContact CE2-CD1 4.18Å; Y73-L241 WeakPolarHBondContact OH-CD1 3.37Å; Y73-Y266 HydrophobicContact CE2-CE1 4.46Å; Y73-A267 HydrophobicContact CD2-CB 3.83Å; Y73-A267 HydrophobicContact CE2-CB 4.08Å; Y73-A267 HydrophobicContact CG-CB 4.36Å; Y73-S270 VanDerWaalsContact OH-CB 3.31Å; Y73-S270 WeakPolarHBondContact OH-CB 3.25Å; Y73-S270 PolarHBondContact OH-OG 2.9Å; Y73-L271 HydrophobicContact CE1-CB 4.34Å; Y73-L271 HydrophobicContact CE1-CD1 4.13Å
74	A	98.9	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.9	-44.2	175.2	0	0	0	0	0	111.2	V62 G70 E71 A78 I84 L86 I101	V62-A74 HydrophobicContact CG2-CB 4.39Å; G70-A74 PolarHBondContact O-N 2.77Å; E71-A74 WeakPolarHBondContact O-CB 3.4Å; E71-A74 PolarHBondContact O-N 2.98Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.14Å; A74-I84 HydrophobicContact CB-CG2 3.92Å; A74-L86 HydrophobicContact CB-CD2 4.41Å; A74-I101 HydrophobicContact CB-CD1 3.62Å
75	E	98.7	Very high	98.4	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	9%	0.094	C	C	.	.	H	α-helix	trans	-62.9	-47.2	173.9	-71.7	-174.9	-167.1	0	0	113.2	E71 A72 Y73 L77 A78 K79 R100 I101 Y105 K264	E71-E75 PolarHBondContact O-N 2.86Å; A72-E75 PolarHBondContact O-N 3.14Å; Y73-E75 VanDerWaalsContact C-N 3.29Å; Y73-E75 PolarHBondContact O-N 3.09Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 2.97Å; E75-A78 PolarHBondContact O-N 3.23Å; E75-K79 WeakPolarHBondContact O-CG 3.39Å; E75-K79 PolarHBondContact O-N 3.28Å; E75-K79 VanDerWaalsContact O-N 3.12Å; E75-R100 IonicContact OE1-CZ 3.2Å; E75-R100 IonicContact OE1-NH1 2.77Å; E75-R100 PolarHBondContact OE1-NH1 3.26Å; E75-R100 IonicContact OE1-NH2 2.7Å; E75-R100 PolarHBondContact OE1-NH2 2.93Å; E75-I101 HydrophobicContact CG-CD1 4.14Å; E75-I101 HydrophobicContact CG-CG1 4.09Å; E75-Y105 HydrophobicContact CB-CE2 4.17Å; E75-Y105 HydrophobicContact CG-CE2 4.19Å; E75-K264 VanDerWaalsContact CD-NZ 3.29Å; E75-K264 IonicContact OE1-NZ 2.79Å; E75-K264 PolarHBondContact OE1-NZ 2.57Å; E75-K264 WeakPolarHBondContact OE2-CE 2.99Å; E75-K264 IonicContact OE2-NZ 3.7Å; E75-K264 PolarHBondContact OE2-NZ 2.96Å
76	E	98.7	Very high	98.4	Very high	9 Å²	9	16.5 Å²	16.5	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-67.6	-30.8	-177.7	-72	-67	129	0	0	112.8	R50 A72 Y73 K79 A267 K268 L271	R50-E76 IonicContact CZ-OE2 3.46Å; R50-E76 IonicContact NH1-OE2 3.31Å; R50-E76 PolarHBondContact NH1-OE2 3.41Å; R50-E76 PolarHBondContact NH2-O 3.03Å; R50-E76 IonicContact NH2-OE2 3.28Å; R50-E76 PolarHBondContact NH2-OE2 3.43Å; A72-E76 WeakPolarHBondContact O-CG 3.45Å; A72-E76 PolarHBondContact O-N 2.9Å; Y73-E76 PolarHBondContact O-N 2.85Å; E76-K79 WeakPolarHBondContact O-CB 3.25Å; E76-K79 IonicContact OE1-NZ 2.73Å; E76-K79 PolarHBondContact OE1-NZ 3.24Å; E76-A267 HydrophobicContact CG-CB 4.03Å; E76-K268 HydrophobicContact CG-CB 4.33Å; E76-L271 HydrophobicContact CB-CD2 3.79Å
77	L	98.8	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-75.1	-36.8	174.4	-69.2	165.1	0	0	0	111.7	L53 A60 V62 Y73 E75 K79 E80 L82 I84 V139 L271	L53-L77 HydrophobicContact CD1-CD2 3.82Å; A60-L77 HydrophobicContact CB-CB 4.23Å; A60-L77 HydrophobicContact CB-CD1 3.8Å; A60-L77 HydrophobicContact CB-CG 4.43Å; V62-L77 HydrophobicContact CG2-CD1 3.97Å; Y73-L77 HydrophobicContact CD1-CD1 4.33Å; Y73-L77 WeakPolarHBondContact O-CB 3.42Å; Y73-L77 WeakPolarHBondContact O-CD1 3.24Å; Y73-L77 VanDerWaalsContact O-CG 3.24Å; Y73-L77 WeakPolarHBondContact O-CG 3.08Å; Y73-L77 PolarHBondContact O-N 3.4Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 2.97Å; L77-K79 VanDerWaalsContact C-N 3.26Å; L77-K79 PolarHBondContact O-N 2.74Å; L77-E80 WeakPolarHBondContact O-CA 3.44Å; L77-E80 WeakPolarHBondContact O-CB 2.9Å; L77-E80 PolarHBondContact O-N 3.2Å; L77-L82 HydrophobicContact CB-CD1 4.15Å; L77-L82 HydrophobicContact CD2-CD1 3.82Å; L77-L82 WeakPolarHBondContact O-CB 3.38Å; L77-L82 PolarHBondContact O-N 3.02Å; L77-I84 HydrophobicContact CB-CD1 3.84Å; L77-V139 HydrophobicContact CD1-CG2 3.76Å; L77-L271 HydrophobicContact CD2-CD1 4.08Å; L77-L271 HydrophobicContact CD2-CD2 4.02Å; L77-L271 HydrophobicContact CG-CD2 4.33Å
78	A	98.8	Very high	98.5	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.017	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-33.2	173.2	0	0	0	0	0	112.1	A74 E75 E80 S81 I84 I101 Y105 V107	A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.14Å; E75-A78 PolarHBondContact O-N 3.23Å; A78-E80 PolarHBondContact O-N 2.91Å; A78-S81 WeakPolarHBondContact O-CA 3.4Å; A78-S81 PolarHBondContact O-N 2.99Å; A78-I84 HydrophobicContact CB-CD1 4.22Å; A78-I84 HydrophobicContact CB-CG1 4.05Å; A78-I101 HydrophobicContact CB-CG2 3.67Å; A78-Y105 HydrophobicContact CB-CD2 3.61Å; A78-Y105 HydrophobicContact CB-CE2 4.3Å; A78-Y105 HydrophobicContact CB-CG 3.8Å; A78-V107 HydrophobicContact CB-CG2 3.96Å
79	K	98.3	Very high	98.5	Very high	95 Å²	95	18.5 Å²	18.5	41%	0.413	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.1	171.2	-69.7	174.5	-169.8	173.9	0	113.9	E75 E76 L77 S81 Y105	E75-K79 WeakPolarHBondContact O-CG 3.39Å; E75-K79 PolarHBondContact O-N 3.28Å; E75-K79 VanDerWaalsContact O-N 3.12Å; E76-K79 WeakPolarHBondContact O-CB 3.25Å; E76-K79 IonicContact OE1-NZ 2.73Å; E76-K79 PolarHBondContact OE1-NZ 3.24Å; L77-K79 VanDerWaalsContact C-N 3.26Å; L77-K79 PolarHBondContact O-N 2.74Å; K79-S81 PolarHBondContact O-N 2.71Å; K79-Y105 HydrophobicContact CD-CE1 4.14Å; K79-Y105 WeakPolarHBondContact CE-OH 3.48Å; K79-Y105 HydrophobicContact CG-CD1 3.81Å; K79-Y105 HydrophobicContact CG-CE1 3.31Å
80	E	97.8	Very high	98.4	Very high	18 Å²	18	20.9 Å²	20.9	8%	0.084	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	17.7	171	-56.1	-56.5	151	0	0	111.8	R50 K51 L77 A78 L82	R50-E80 HydrophobicContact CG-CG 4.3Å; R50-E80 IonicContact CZ-OE1 2.65Å; R50-E80 IonicContact NE-OE1 3.45Å; R50-E80 PolarHBondContact NE-OE1 3.47Å; R50-E80 IonicContact NH2-OE1 2.69Å; R50-E80 PolarHBondContact NH2-OE1 2.91Å; K51-E80 WeakPolarHBondContact CD-OE2 3.45Å; K51-E80 IonicContact NZ-OE1 2.81Å; K51-E80 PolarHBondContact NZ-OE1 3.48Å; K51-E80 IonicContact NZ-OE2 2.76Å; K51-E80 PolarHBondContact NZ-OE2 2.95Å; L77-E80 WeakPolarHBondContact O-CA 3.44Å; L77-E80 WeakPolarHBondContact O-CB 2.9Å; L77-E80 PolarHBondContact O-N 3.2Å; A78-E80 PolarHBondContact O-N 2.91Å; E80-L82 PolarHBondContact O-N 2.77Å
81	S	98.1	Very high	98.3	Very high	70 Å²	70	26.7 Å²	26.7	49%	0.49	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	26.9	-179.2	-51.5	0	0	0	0	113.6	R54 A78 K79	R54-S81 PolarHBondContact NH1-O 2.9Å; A78-S81 WeakPolarHBondContact O-CA 3.4Å; A78-S81 PolarHBondContact O-N 2.99Å; K79-S81 PolarHBondContact O-N 2.71Å
82	L	98.8	Very high	98.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.			trans	-83.5	140.6	173	-67.6	163.5	0	0	0	110.5	L53 G57 A60 L77 E80 I84 A136	L53-L82 HydrophobicContact CB-CD1 4.07Å; G57-L82 VanDerWaalsContact O-CD2 3.26Å; G57-L82 WeakPolarHBondContact O-CD2 3.28Å; A60-L82 HydrophobicContact CB-CB 4.38Å; A60-L82 HydrophobicContact CB-CD1 4.21Å; L77-L82 HydrophobicContact CB-CD1 4.15Å; L77-L82 HydrophobicContact CD2-CD1 3.82Å; L77-L82 WeakPolarHBondContact O-CB 3.38Å; L77-L82 PolarHBondContact O-N 3.02Å; E80-L82 PolarHBondContact O-N 2.77Å; L82-I84 HydrophobicContact CB-CD1 4.25Å; L82-I84 WeakPolarHBondContact O-CD1 3.28Å; L82-A136 HydrophobicContact CD1-CB 4.39Å; L82-A136 HydrophobicContact CD2-CB 3.58Å
83	N	98.9	Very high	98.2	Very high	17 Å²	17	35.7 Å²	35.7	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	147.3	163.6	-62.5	-34.5	0	0	0	109	E58 W59 A60 Q108	E58-N83 PolarHBondContact O-N 3.25Å; W59-N83 CarbonylContact C-O 3.56Å; W59-N83 VanDerWaalsContact CA-O 3.31Å; W59-N83 WeakPolarHBondContact CA-O 3.41Å; W59-N83 HydrophobicContact CD2-CB 3.43Å; W59-N83 VanDerWaalsContact CD2-CB 3.43Å; W59-N83 HydrophobicContact CE3-CB 3.51Å; W59-N83 HydrophobicContact CG-CB 4.03Å; W59-N83 HydrophobicContact CH2-CB 3.87Å; W59-N83 HydrophobicContact CZ2-CB 3.82Å; W59-N83 HydrophobicContact CZ3-CB 3.73Å; A60-N83 PolarHBondContact N-O 3.36Å; N83-Q108 CarbonylContact C-O 3.6Å; N83-Q108 VanDerWaalsContact CA-O 3.25Å; N83-Q108 WeakPolarHBondContact CA-O 3.37Å; N83-Q108 HydrophobicContact CB-CB 4.12Å; N83-Q108 WeakPolarHBondContact CB-O 3.38Å; N83-Q108 WeakPolarHBondContact OD1-CB 3.48Å; N83-Q108 PolarHBondContact OD1-N 3.1Å
84	I	98.9	Very high	98.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.5	-172	-47.4	-60.8	0	0	0	111	A60 V62 A74 L77 A78 L82 L86 I101 Q108 T109 R110	A60-I84 HydrophobicContact CB-CD1 4.11Å; A60-I84 WeakPolarHBondContact O-CA 3.39Å; V62-I84 HydrophobicContact CG2-CG2 4.45Å; A74-I84 HydrophobicContact CB-CG2 3.92Å; L77-I84 HydrophobicContact CB-CD1 3.84Å; A78-I84 HydrophobicContact CB-CD1 4.22Å; A78-I84 HydrophobicContact CB-CG1 4.05Å; L82-I84 HydrophobicContact CB-CD1 4.25Å; L82-I84 WeakPolarHBondContact O-CD1 3.28Å; I84-L86 HydrophobicContact CB-CD1 4Å; I84-L86 HydrophobicContact CG2-CD1 3.67Å; I84-L86 HydrophobicContact CG2-CG 3.73Å; I84-I101 HydrophobicContact CG1-CG2 4.12Å; I84-Q108 PolarHBondContact N-O 2.96Å; I84-T109 HydrophobicContact CB-CG2 4.39Å; I84-T109 CarbonylContact O-C 3.54Å; I84-T109 VanDerWaalsContact O-CA 3.28Å; I84-T109 WeakPolarHBondContact O-CA 3.39Å; I84-R110 PolarHBondContact O-N 3.43Å
85	M	98.8	Very high	98.1	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.8	163.4	172.8	59.1	79	0	0	108.5	W59 A60 V61 V62 I87 R110 V112 I129 L132	W59-M85 HydrophobicContact CE3-CB 4.3Å; A60-M85 PolarHBondContact O-N 2.9Å; V61-M85 WeakPolarHBondContact CA-O 3.38Å; V61-M85 HydrophobicContact CB-CB 4.45Å; V61-M85 HydrophobicContact CG1-CB 4.4Å; V61-M85 HydrophobicContact CG1-CG 4.09Å; V61-M85 HydrophobicContact CG2-CB 4.09Å; V61-M85 HydrophobicContact CG2-CG 4.39Å; V62-M85 PolarHBondContact N-O 2.82Å; M85-I87 HydrophobicContact CG-CD1 4.41Å; M85-I87 HydrophobicContact CG-CG1 4.2Å; M85-R110 CarbonylContact C-O 3.38Å; M85-R110 WeakPolarHBondContact CA-O 3.32Å; M85-R110 HydrophobicContact CE-CB 3.59Å; M85-R110 HydrophobicContact SD-CB 3.98Å; M85-V112 HydrophobicContact CE-CG2 4.46Å; M85-V112 HydrophobicContact SD-CG2 3.91Å; M85-I129 HydrophobicContact CG-CD1 4.02Å; M85-L132 HydrophobicContact CB-CD1 4Å; M85-L132 HydrophobicContact CE-CD1 4.37Å; M85-L132 HydrophobicContact CE-CD2 3.93Å; M85-L132 HydrophobicContact CE-CG 4.47Å; M85-L132 HydrophobicContact CG-CD1 4.36Å
86	L	98.8	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.2	-178.2	-59.4	91.4	0	0	0	110.4	A65 A74 I84 L94 V97 A98 I101 T109 R110 F111 V112	A65-L86 HydrophobicContact CB-CB 3.82Å; A65-L86 HydrophobicContact CB-CD2 4.09Å; A65-L86 HydrophobicContact CB-CG 4.17Å; A74-L86 HydrophobicContact CB-CD2 4.41Å; I84-L86 HydrophobicContact CB-CD1 4Å; I84-L86 HydrophobicContact CG2-CD1 3.67Å; I84-L86 HydrophobicContact CG2-CG 3.73Å; L86-L94 HydrophobicContact CB-CD1 3.58Å; L86-L94 HydrophobicContact CB-CG 4.33Å; L86-L94 HydrophobicContact CD2-CD1 4.25Å; L86-V97 HydrophobicContact CD2-CB 4.31Å; L86-V97 HydrophobicContact CD2-CG1 3.59Å; L86-A98 HydrophobicContact CD1-CB 4.01Å; L86-A98 HydrophobicContact CD2-CB 4.49Å; L86-I101 HydrophobicContact CD2-CD1 4.27Å; L86-T109 HydrophobicContact CD1-CG2 4.25Å; L86-R110 WeakPolarHBondContact CD1-O 3.39Å; L86-R110 PolarHBondContact N-O 2.94Å; L86-F111 HydrophobicContact CB-CB 4.12Å; L86-F111 CarbonylContact O-C 3.59Å; L86-F111 WeakPolarHBondContact O-CA 3.17Å; L86-F111 WeakPolarHBondContact O-CB 3.5Å; L86-V112 PolarHBondContact O-N 3.02Å
87	I	98.7	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.4	179.1	-51.3	178.8	0	0	0	108.9	V61 V62 T63 G64 A65 M85 V112 A114 F116 I125 M177	V61-I87 HydrophobicContact CG1-CD1 3.77Å; V61-I87 HydrophobicContact CG1-CG1 4.46Å; V62-I87 PolarHBondContact O-N 3.23Å; T63-I87 CarbonylContact C-O 3.52Å; G64-I87 PolarHBondContact N-O 3.18Å; A65-I87 PolarHBondContact N-O 2.81Å; M85-I87 HydrophobicContact CG-CD1 4.41Å; M85-I87 HydrophobicContact CG-CG1 4.2Å; I87-V112 HydrophobicContact CG1-CB 4.46Å; I87-A114 HydrophobicContact CG2-CB 3.54Å; I87-F116 HydrophobicContact CB-CE2 4.48Å; I87-F116 HydrophobicContact CG2-CE2 3.63Å; I87-F116 HydrophobicContact CG2-CZ 3.71Å; I87-I125 HydrophobicContact CD1-CG2 4.05Å; I87-I125 HydrophobicContact CG2-CD1 4.16Å; I87-I125 HydrophobicContact CG2-CG1 4.5Å; I87-M177 HydrophobicContact CD1-CE 3.68Å
88	S	98.1	Very high	98.1	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	170.3	176.1	-151.3	0	0	0	0	110.4	S66 V112 V113 A114	S66-S88 WeakPolarHBondContact CB-OG 3.31Å; S66-S88 WeakPolarHBondContact OG-CB 3.41Å; S66-S88 PolarHBondContact OG-OG 2.88Å; S88-V112 PolarHBondContact N-O 3.12Å; S88-V113 CarbonylContact O-C 3.58Å; S88-V113 VanDerWaalsContact O-CA 3.26Å; S88-V113 WeakPolarHBondContact O-CA 3.3Å; S88-A114 CarbonylContact C-O 3.54Å; S88-A114 PolarHBondContact O-N 2.69Å
89	N	96.5	Very high	98.1	Very high	99 Å²	99	44.3 Å²	44.3	53%	0.529	23%	0.234	S	C	.	.	S	Bend	trans	-91.3	-17.4	-177.8	62.9	-16.7	0	0	0	114.7	A114 D115	N89-A114 PolarHBondContact N-O 3.2Å; N89-D115 HydrophobicContact CB-CB 4.27Å
90	D	95.9	Very high	98.1	Very high	75 Å²	75	43.1 Å²	43.1	40%	0.401	23%	0.227	S	C	.	.			trans	-93.1	96.6	-179.3	-175.8	-25.5	0	0	0	110.1	E92 Q93 L94	D90-E92 PolarHBondContact OD1-N 3.12Å; D90-Q93 HydrophobicContact CB-CB 4.19Å; D90-Q93 VanDerWaalsContact CG-CB 3.41Å; D90-Q93 WeakPolarHBondContact OD1-CB 2.98Å; D90-Q93 PolarHBondContact OD1-N 3.23Å; D90-Q93 WeakPolarHBondContact OD2-CB 3.44Å; D90-L94 WeakPolarHBondContact O-CB 3.29Å; D90-L94 PolarHBondContact O-N 3.3Å
91	E	97.3	Very high	98.1	Very high	122 Å²	122	42.3 Å²	42.3	57%	0.57	22%	0.223	S	C	*	.	H	α-helix	trans	-60.5	-46.9	-175	-177.9	171.7	-173.8	0	0	113.3	L94 S95 V113	E91-L94 PolarHBondContact O-N 3.18Å; E91-S95 WeakPolarHBondContact O-CB 3.5Å; E91-S95 PolarHBondContact O-N 3.46Å; E91-S95 PolarHBondContact O-OG 2.69Å; E91-V113 HydrophobicContact CB-CG1 4.27Å; E91-V113 HydrophobicContact CB-CG2 3.64Å; E91-V113 HydrophobicContact CG-CG2 3.65Å
92	E	97.8	Very high	98.2	Very high	153 Å²	153	40 Å²	40	72%	0.715	21%	0.208	S	C	*	.	H	α-helix	trans	-62.2	-52.3	-176.9	-175.1	-178.9	175	0	0	110.2	D90 L94 S95 C96	D90-E92 PolarHBondContact OD1-N 3.12Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 2.91Å; E92-S95 PolarHBondContact O-N 3.29Å; E92-S95 PolarHBondContact O-OG 2.84Å; E92-C96 PolarHBondContact O-N 3.43Å; E92-C96 VanDerWaalsContact O-N 3.12Å; E92-C96 PolarHBondContact O-SG 2.82Å
93	Q	97.2	Very high	98.1	Very high	76 Å²	76	46.6 Å²	46.6	36%	0.355	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-39.8	179.2	-177.5	65.1	19.8	0	0	111.5	S66 D90 C96 V97	S66-Q93 WeakPolarHBondContact O-CG 3.24Å; S66-Q93 PolarHBondContact O-NE2 3.1Å; D90-Q93 HydrophobicContact CB-CB 4.19Å; D90-Q93 VanDerWaalsContact CG-CB 3.41Å; D90-Q93 WeakPolarHBondContact OD1-CB 2.98Å; D90-Q93 PolarHBondContact OD1-N 3.23Å; D90-Q93 WeakPolarHBondContact OD2-CB 3.44Å; Q93-C96 PolarHBondContact O-N 2.88Å; Q93-V97 WeakPolarHBondContact O-CG2 3.31Å; Q93-V97 PolarHBondContact O-N 2.8Å
94	L	98	Very high	98.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-42.7	-179.8	-169.7	64.8	0	0	0	111.8	A65 L86 D90 E91 E92 V97 A98 F111 V112	A65-L94 HydrophobicContact CB-CD1 4.24Å; L86-L94 HydrophobicContact CB-CD1 3.58Å; L86-L94 HydrophobicContact CB-CG 4.33Å; L86-L94 HydrophobicContact CD2-CD1 4.25Å; D90-L94 WeakPolarHBondContact O-CB 3.29Å; D90-L94 PolarHBondContact O-N 3.3Å; E91-L94 PolarHBondContact O-N 3.18Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 2.91Å; L94-V97 PolarHBondContact O-N 2.91Å; L94-A98 WeakPolarHBondContact O-CB 3.34Å; L94-A98 PolarHBondContact O-N 3.4Å; L94-F111 HydrophobicContact CD2-CB 3.8Å; L94-F111 HydrophobicContact CD2-CD2 3.88Å; L94-F111 HydrophobicContact CD2-CG 4.17Å; L94-F111 HydrophobicContact CG-CB 3.83Å; L94-F111 HydrophobicContact CG-CD2 4.26Å; L94-F111 HydrophobicContact CG-CG 4.19Å; L94-V112 WeakPolarHBondContact CD2-O 3.44Å
95	S	98.3	Very high	98.1	Very high	31 Å²	31	53.4 Å²	53.4	22%	0.217	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-41	176.4	74.2	0	0	0	0	111.8	E91 E92 A98 N99	E91-S95 WeakPolarHBondContact O-CB 3.5Å; E91-S95 PolarHBondContact O-N 3.46Å; E91-S95 PolarHBondContact O-OG 2.69Å; E92-S95 PolarHBondContact O-N 3.29Å; E92-S95 PolarHBondContact O-OG 2.84Å; S95-A98 PolarHBondContact O-N 3.11Å; S95-N99 WeakPolarHBondContact O-CB 2.81Å; S95-N99 VanDerWaalsContact O-CG 3.3Å; S95-N99 PolarHBondContact O-N 2.83Å; S95-N99 PolarHBondContact O-ND2 2.68Å
96	C	98.3	Very high	98	Very high	68 Å²	68	60.6 Å²	60.6	46%	0.459	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-45.5	175.6	-70.6	0	0	0	0	111.7	E92 Q93 R100	E92-C96 PolarHBondContact O-N 3.43Å; E92-C96 VanDerWaalsContact O-N 3.12Å; E92-C96 PolarHBondContact O-SG 2.82Å; Q93-C96 PolarHBondContact O-N 2.88Å; C96-R100 WeakPolarHBondContact O-CB 3.3Å; C96-R100 PolarHBondContact O-N 3.22Å
97	V	98.5	Very high	98	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-45	177.1	172.6	0	0	0	0	111.1	E71 L86 Q93 L94 R100 I101	E71-V97 HydrophobicContact CG-CG1 3.89Å; E71-V97 HydrophobicContact CG-CG2 4.06Å; L86-V97 HydrophobicContact CD2-CB 4.31Å; L86-V97 HydrophobicContact CD2-CG1 3.59Å; Q93-V97 WeakPolarHBondContact O-CG2 3.31Å; Q93-V97 PolarHBondContact O-N 2.8Å; L94-V97 PolarHBondContact O-N 2.91Å; V97-R100 PolarHBondContact O-N 3.44Å; V97-I101 HydrophobicContact CG1-CD1 3.73Å; V97-I101 HydrophobicContact CG1-CG1 4.36Å; V97-I101 WeakPolarHBondContact O-CB 2.93Å; V97-I101 WeakPolarHBondContact O-CG1 3.05Å; V97-I101 PolarHBondContact O-N 2.94Å
98	A	98.7	Very high	98	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-53.1	178.7	0	0	0	0	0	111.4	L86 L94 S95 R100 I101 A102 T109 F111	L86-A98 HydrophobicContact CD1-CB 4.01Å; L86-A98 HydrophobicContact CD2-CB 4.49Å; L94-A98 WeakPolarHBondContact O-CB 3.34Å; L94-A98 PolarHBondContact O-N 3.4Å; S95-A98 PolarHBondContact O-N 3.11Å; A98-R100 VanDerWaalsContact C-N 3.31Å; A98-R100 PolarHBondContact O-N 2.91Å; A98-I101 PolarHBondContact O-N 3.46Å; A98-A102 PolarHBondContact O-N 3.25Å; A98-T109 WeakPolarHBondContact O-CG2 3.28Å; A98-T109 PolarHBondContact O-OG1 2.74Å; A98-F111 HydrophobicContact CB-CD1 4.01Å
99	N	98.6	Very high	98	Very high	95 Å²	95	68.1 Å²	68.1	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-58.3	-43.2	178.5	-71.8	-26.2	0	0	0	112	S95 A102 N103	S95-N99 WeakPolarHBondContact O-CB 2.81Å; S95-N99 VanDerWaalsContact O-CG 3.3Å; S95-N99 PolarHBondContact O-N 2.83Å; S95-N99 PolarHBondContact O-ND2 2.68Å; N99-A102 PolarHBondContact O-N 3.24Å; N99-N103 WeakPolarHBondContact O-CB 3.34Å; N99-N103 PolarHBondContact O-N 3.46Å; N99-N103 PolarHBondContact O-ND2 2.84Å
100	R	98.5	Very high	98.1	Very high	70 Å²	70	67.7 Å²	67.7	26%	0.264	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-42.9	178.5	-175.1	179.3	58.5	70	-5.1	112.2	E71 E75 C96 V97 A98 I104	E71-R100 IonicContact OE1-CZ 3.39Å; E71-R100 IonicContact OE1-NH2 2.69Å; E71-R100 PolarHBondContact OE1-NH2 3.4Å; E75-R100 IonicContact OE1-CZ 3.2Å; E75-R100 IonicContact OE1-NH1 2.77Å; E75-R100 PolarHBondContact OE1-NH1 3.26Å; E75-R100 IonicContact OE1-NH2 2.7Å; E75-R100 PolarHBondContact OE1-NH2 2.93Å; C96-R100 WeakPolarHBondContact O-CB 3.3Å; C96-R100 PolarHBondContact O-N 3.22Å; V97-R100 PolarHBondContact O-N 3.44Å; A98-R100 VanDerWaalsContact C-N 3.31Å; A98-R100 PolarHBondContact O-N 2.91Å; R100-I104 HydrophobicContact CG-CD1 3.68Å; R100-I104 HydrophobicContact CG-CG1 4.48Å; R100-I104 WeakPolarHBondContact O-CB 3.29Å; R100-I104 VanDerWaalsContact O-CG1 3.28Å; R100-I104 WeakPolarHBondContact O-CG1 3.49Å; R100-I104 PolarHBondContact O-N 3.02Å
101	I	98.7	Very high	98.2	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66.1	-46	178.1	-73.9	175.7	0	0	0	110.8	A74 E75 A78 I84 L86 V97 A98 N103 I104 Y105 V107 T109	A74-I101 HydrophobicContact CB-CD1 3.62Å; E75-I101 HydrophobicContact CG-CD1 4.14Å; E75-I101 HydrophobicContact CG-CG1 4.09Å; A78-I101 HydrophobicContact CB-CG2 3.67Å; I84-I101 HydrophobicContact CG1-CG2 4.12Å; L86-I101 HydrophobicContact CD2-CD1 4.27Å; V97-I101 HydrophobicContact CG1-CD1 3.73Å; V97-I101 HydrophobicContact CG1-CG1 4.36Å; V97-I101 WeakPolarHBondContact O-CB 2.93Å; V97-I101 WeakPolarHBondContact O-CG1 3.05Å; V97-I101 PolarHBondContact O-N 2.94Å; A98-I101 PolarHBondContact O-N 3.46Å; I101-N103 VanDerWaalsContact C-N 3.32Å; I101-N103 PolarHBondContact O-N 3.4Å; I101-I104 PolarHBondContact O-N 2.9Å; I101-Y105 HydrophobicContact CB-CD2 4.43Å; I101-Y105 HydrophobicContact CG2-CD2 4.06Å; I101-Y105 WeakPolarHBondContact O-CD2 3.33Å; I101-Y105 PolarHBondContact O-N 3.21Å; I101-V107 HydrophobicContact CG2-CG2 4.09Å; I101-T109 HydrophobicContact CB-CG2 4.12Å; I101-T109 HydrophobicContact CG2-CG2 3.77Å
102	A	98.6	Very high	98.3	Very high	23 Å²	23	62.8 Å²	62.8	19%	0.19	32%	0.317	C	S	.	.	H	α-helix	trans	-56.2	-47.9	177.1	0	0	0	0	0	111.4	A98 N99 N106 V107 T109	A98-A102 PolarHBondContact O-N 3.25Å; N99-A102 PolarHBondContact O-N 3.24Å; A102-N106 VanDerWaalsContact O-CA 3.27Å; A102-N106 WeakPolarHBondContact O-CA 3.5Å; A102-N106 PolarHBondContact O-N 2.78Å; A102-V107 WeakPolarHBondContact CA-O 3.34Å; A102-T109 HydrophobicContact CB-CG2 3.96Å
103	N	98.2	Very high	98.3	Very high	137 Å²	137	58 Å²	58	73%	0.733	30%	0.298	S	S	*	.	H	α-helix	trans	-68.4	-42.9	-177.6	-70.5	-20.4	0	0	0	113.4	N99 I101	N99-N103 WeakPolarHBondContact O-CB 3.34Å; N99-N103 PolarHBondContact O-N 3.46Å; N99-N103 PolarHBondContact O-ND2 2.84Å; I101-N103 VanDerWaalsContact C-N 3.32Å; I101-N103 PolarHBondContact O-N 3.4Å
104	I	98.4	Very high	98.3	Very high	104 Å²	104	54.5 Å²	54.5	53%	0.533	28%	0.282	S	S	.	.	H	α-helix	trans	-74.4	-38.7	-175.6	-68.7	174.3	0	0	0	111.8	R100 I101	R100-I104 HydrophobicContact CG-CD1 3.68Å; R100-I104 HydrophobicContact CG-CG1 4.48Å; R100-I104 WeakPolarHBondContact O-CB 3.29Å; R100-I104 VanDerWaalsContact O-CG1 3.28Å; R100-I104 WeakPolarHBondContact O-CG1 3.49Å; R100-I104 PolarHBondContact O-N 3.02Å; I101-I104 PolarHBondContact O-N 2.9Å
105	Y	98.2	Very high	98.3	Very high	56 Å²	56	57 Å²	57	22%	0.22	30%	0.296	C	S	.	.	H	α-helix	trans	-107.4	-4.1	-170.4	-57.6	-68.4	0	0	0	114	E75 A78 K79 I101 V107	E75-Y105 HydrophobicContact CB-CE2 4.17Å; E75-Y105 HydrophobicContact CG-CE2 4.19Å; A78-Y105 HydrophobicContact CB-CD2 3.61Å; A78-Y105 HydrophobicContact CB-CE2 4.3Å; A78-Y105 HydrophobicContact CB-CG 3.8Å; K79-Y105 HydrophobicContact CD-CE1 4.14Å; K79-Y105 WeakPolarHBondContact CE-OH 3.48Å; K79-Y105 HydrophobicContact CG-CD1 3.81Å; K79-Y105 HydrophobicContact CG-CE1 3.31Å; I101-Y105 HydrophobicContact CB-CD2 4.43Å; I101-Y105 HydrophobicContact CG2-CD2 4.06Å; I101-Y105 WeakPolarHBondContact O-CD2 3.33Å; I101-Y105 PolarHBondContact O-N 3.21Å; Y105-V107 VanDerWaalsContact C-N 3.35Å; Y105-V107 PolarHBondContact O-N 3.28Å
106	N	97.8	Very high	98.3	Very high	155 Å²	155	55.9 Å²	55.9	83%	0.829	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	48.9	-179	-167.4	38.3	0	0	0	112.6	A102	A102-N106 VanDerWaalsContact O-CA 3.27Å; A102-N106 WeakPolarHBondContact O-CA 3.5Å; A102-N106 PolarHBondContact O-N 2.78Å
107	V	98.6	Very high	98.3	Very high	18 Å²	18	53.6 Å²	53.6	11%	0.109	27%	0.271	C	S	.	.			trans	-122.4	160.6	176.6	-61.5	0	0	0	0	110.1	A78 I101 A102 Y105	A78-V107 HydrophobicContact CB-CG2 3.96Å; I101-V107 HydrophobicContact CG2-CG2 4.09Å; A102-V107 WeakPolarHBondContact CA-O 3.34Å; Y105-V107 VanDerWaalsContact C-N 3.35Å; Y105-V107 PolarHBondContact O-N 3.28Å
108	Q	98.6	Very high	98.2	Very high	112 Å²	112	58.4 Å²	58.4	52%	0.523	29%	0.291	S	S	.	.			trans	-75.4	138.9	172.1	-58.1	-177.3	11	0	0	110.2	W59 N83 I84	W59-Q108 HydrophobicContact CH2-CB 3.79Å; W59-Q108 HydrophobicContact CZ2-CB 4.13Å; N83-Q108 CarbonylContact C-O 3.6Å; N83-Q108 VanDerWaalsContact CA-O 3.25Å; N83-Q108 WeakPolarHBondContact CA-O 3.37Å; N83-Q108 HydrophobicContact CB-CB 4.12Å; N83-Q108 WeakPolarHBondContact CB-O 3.38Å; N83-Q108 WeakPolarHBondContact OD1-CB 3.48Å; N83-Q108 PolarHBondContact OD1-N 3.1Å; I84-Q108 PolarHBondContact N-O 2.96Å
109	T	98.7	Very high	97.8	Very high	34 Å²	34	63.4 Å²	63.4	21%	0.209	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.6	169.7	59.3	0	0	0	0	110.4	I84 L86 A98 I101 A102	I84-T109 HydrophobicContact CB-CG2 4.39Å; I84-T109 CarbonylContact O-C 3.54Å; I84-T109 VanDerWaalsContact O-CA 3.28Å; I84-T109 WeakPolarHBondContact O-CA 3.39Å; L86-T109 HydrophobicContact CD1-CG2 4.25Å; A98-T109 WeakPolarHBondContact O-CG2 3.28Å; A98-T109 PolarHBondContact O-OG1 2.74Å; I101-T109 HydrophobicContact CB-CG2 4.12Å; I101-T109 HydrophobicContact CG2-CG2 3.77Å; A102-T109 HydrophobicContact CB-CG2 3.96Å
110	R	98.4	Very high	97.6	Very high	91 Å²	91	63.8 Å²	63.8	34%	0.343	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153	166.4	-68.3	-179.9	-173	-167.7	5.9	107.8	W59 I84 M85 L86	W59-R110 HydrophobicContact CH2-CB 4.42Å; W59-R110 HydrophobicContact CH2-CG 3.76Å; W59-R110 HydrophobicContact CZ3-CB 4.18Å; W59-R110 HydrophobicContact CZ3-CG 4.04Å; I84-R110 PolarHBondContact O-N 3.43Å; M85-R110 CarbonylContact C-O 3.38Å; M85-R110 WeakPolarHBondContact CA-O 3.32Å; M85-R110 HydrophobicContact CE-CB 3.59Å; M85-R110 HydrophobicContact SD-CB 3.98Å; L86-R110 WeakPolarHBondContact CD1-O 3.39Å; L86-R110 PolarHBondContact N-O 2.94Å
111	F	98.1	Very high	97.5	Very high	81 Å²	81	60.8 Å²	60.8	36%	0.355	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.6	174.4	70.6	-98.4	0	0	0	112.5	L86 L94 A98 V113	L86-F111 HydrophobicContact CB-CB 4.12Å; L86-F111 CarbonylContact O-C 3.59Å; L86-F111 WeakPolarHBondContact O-CA 3.17Å; L86-F111 WeakPolarHBondContact O-CB 3.5Å; L94-F111 HydrophobicContact CD2-CB 3.8Å; L94-F111 HydrophobicContact CD2-CD2 3.88Å; L94-F111 HydrophobicContact CD2-CG 4.17Å; L94-F111 HydrophobicContact CG-CB 3.83Å; L94-F111 HydrophobicContact CG-CD2 4.26Å; L94-F111 HydrophobicContact CG-CG 4.19Å; A98-F111 HydrophobicContact CB-CD1 4.01Å; F111-V113 HydrophobicContact CD2-CG2 4.31Å; F111-V113 HydrophobicContact CE2-CG2 4.16Å
112	V	98	Very high	97.4	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.079	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.1	173.9	-177.1	0	0	0	0	108.6	M85 L86 I87 S88 L94 A114 I124 I125 T128	M85-V112 HydrophobicContact CE-CG2 4.46Å; M85-V112 HydrophobicContact SD-CG2 3.91Å; L86-V112 PolarHBondContact O-N 3.02Å; I87-V112 HydrophobicContact CG1-CB 4.46Å; S88-V112 PolarHBondContact N-O 3.12Å; L94-V112 WeakPolarHBondContact CD2-O 3.44Å; V112-A114 HydrophobicContact CG1-CB 4.43Å; V112-A114 PolarHBondContact O-N 2.65Å; V112-I124 HydrophobicContact CG1-CD1 4.2Å; V112-I124 HydrophobicContact CG1-CG1 4.43Å; V112-I125 HydrophobicContact CG1-CG1 4.14Å; V112-T128 HydrophobicContact CG2-CG2 3.7Å; V112-T128 WeakPolarHBondContact CG2-OG1 3.3Å
113	V	98.1	Very high	97.4	Very high	51 Å²	51	67.2 Å²	67.2	31%	0.309	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.7	172.5	-174.2	0	0	0	0	108.2	S88 E91 F111 I124	S88-V113 CarbonylContact O-C 3.58Å; S88-V113 VanDerWaalsContact O-CA 3.26Å; S88-V113 WeakPolarHBondContact O-CA 3.3Å; E91-V113 HydrophobicContact CB-CG1 4.27Å; E91-V113 HydrophobicContact CB-CG2 3.64Å; E91-V113 HydrophobicContact CG-CG2 3.65Å; F111-V113 HydrophobicContact CD2-CG2 4.31Å; F111-V113 HydrophobicContact CE2-CG2 4.16Å; V113-I124 WeakPolarHBondContact O-CD1 3.39Å
114	A	97.7	Very high	97.3	Very high	3 Å²	3	64.9 Å²	64.9	3%	0.025	32%	0.322	C	S	.	.			trans	-149.4	119	-170.1	0	0	0	0	0	111.7	I87 S88 N89 V112 F116 V121 I125	I87-A114 HydrophobicContact CG2-CB 3.54Å; S88-A114 CarbonylContact C-O 3.54Å; S88-A114 PolarHBondContact O-N 2.69Å; N89-A114 PolarHBondContact N-O 3.2Å; V112-A114 HydrophobicContact CG1-CB 4.43Å; V112-A114 PolarHBondContact O-N 2.65Å; A114-F116 HydrophobicContact CB-CE2 4.45Å; A114-V121 HydrophobicContact CB-CG2 3.35Å; A114-I125 HydrophobicContact CB-CD1 3.96Å; A114-I125 HydrophobicContact CB-CG1 4.25Å
115	D	97.9	Very high	97.2	Very high	54 Å²	54	60 Å²	60	29%	0.289	30%	0.297	S	S	.	.			trans	-92.1	104	170.2	-179	0.8	0	0	0	110.7	N89 T117 K118	N89-D115 HydrophobicContact CB-CB 4.27Å; D115-T117 PolarHBondContact O-N 3.34Å; D115-T117 VanDerWaalsContact O-N 3.1Å; D115-T117 WeakPolarHBondContact OD1-CB 3.47Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.45Å; D115-T117 PolarHBondContact OD1-N 3.36Å; D115-T117 PolarHBondContact OD1-OG1 2.93Å; D115-T117 PolarHBondContact OD2-OG1 3.02Å; D115-K118 HydrophobicContact CB-CG 4.04Å; D115-K118 WeakPolarHBondContact O-CB 3.35Å; D115-K118 PolarHBondContact O-N 3.23Å; D115-K118 VanDerWaalsContact OD2-CE 3.32Å; D115-K118 WeakPolarHBondContact OD2-CE 3.21Å
116	F	98.3	Very high	97.2	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.026	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	1.8	179.5	-73	-80.2	0	0	0	114.7	T63 I87 A114 K118 V121 Y122 I125 V142 H168 C169 S173 M177	T63-F116 HydrophobicContact CG2-CE2 4.23Å; T63-F116 HydrophobicContact CG2-CZ 3.82Å; I87-F116 HydrophobicContact CB-CE2 4.48Å; I87-F116 HydrophobicContact CG2-CE2 3.63Å; I87-F116 HydrophobicContact CG2-CZ 3.71Å; A114-F116 HydrophobicContact CB-CE2 4.45Å; F116-K118 VanDerWaalsContact C-N 3.3Å; F116-V121 HydrophobicContact CD1-CG1 4.32Å; F116-Y122 HydrophobicContact CD1-CE1 4.15Å; F116-Y122 AromaticContact CE1-CE1 3.96Å; F116-Y122 HydrophobicContact CE1-CE1 3.96Å; F116-I125 HydrophobicContact CE1-CD1 3.86Å; F116-I125 HydrophobicContact CZ-CD1 3.85Å; F116-V142 HydrophobicContact CB-CG2 4.39Å; F116-V142 HydrophobicContact CD2-CB 4.16Å; F116-V142 HydrophobicContact CD2-CG1 3.89Å; F116-V142 HydrophobicContact CD2-CG2 3.73Å; F116-V142 HydrophobicContact CE2-CB 4.38Å; F116-V142 HydrophobicContact CE2-CG1 4.09Å; F116-V142 HydrophobicContact CE2-CG2 4.37Å; F116-V142 HydrophobicContact CG-CG1 4.09Å; F116-V142 HydrophobicContact CG-CG2 4.33Å; F116-H168 CarbonylContact O-C 3.31Å; F116-H168 VanDerWaalsContact O-C 3.31Å; F116-H168 WeakPolarHBondContact O-CB 3.21Å; F116-C169 HydrophobicContact CB-CB 4.5Å; F116-C169 WeakPolarHBondContact O-CA 3.36Å; F116-C169 PolarHBondContact O-N 2.9Å; F116-S173 VanDerWaalsContact CD1-CB 3.45Å; F116-M177 HydrophobicContact CE1-CG 3.93Å; F116-M177 HydrophobicContact CE1-SD 4.05Å; F116-M177 HydrophobicContact CZ-CG 4.28Å; F116-M177 HydrophobicContact CZ-SD 4.25Å
117	T	97.9	Very high	97.2	Very high	20 Å²	20	57.3 Å²	57.3	12%	0.123	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-16.4	165.8	71.3	0	0	0	0	112.3	D115 M144 N165 H168 C169	D115-T117 PolarHBondContact O-N 3.34Å; D115-T117 VanDerWaalsContact O-N 3.1Å; D115-T117 WeakPolarHBondContact OD1-CB 3.47Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.45Å; D115-T117 PolarHBondContact OD1-N 3.36Å; D115-T117 PolarHBondContact OD1-OG1 2.93Å; D115-T117 PolarHBondContact OD2-OG1 3.02Å; T117-M144 HydrophobicContact CG2-SD 3.97Å; T117-N165 HydrophobicContact CG2-CB 3.91Å; T117-H168 PolarHBondContact O-ND1 2.99Å; T117-H168 VanDerWaalsContact O-ND1 3.08Å; T117-C169 HydrophobicContact CG2-CB 4.24Å
118	K	96.4	Very high	97.1	Very high	102 Å²	102	58 Å²	58	44%	0.443	29%	0.289	S	S	.	.	S	Bend	trans	-95.2	153.4	-179.3	-48.1	-57.9	179.1	-175.4	0	112	D115 F116 D120 V121	D115-K118 HydrophobicContact CB-CG 4.04Å; D115-K118 WeakPolarHBondContact O-CB 3.35Å; D115-K118 PolarHBondContact O-N 3.23Å; D115-K118 VanDerWaalsContact OD2-CE 3.32Å; D115-K118 WeakPolarHBondContact OD2-CE 3.21Å; F116-K118 VanDerWaalsContact C-N 3.3Å; K118-D120 WeakPolarHBondContact CB-OD1 3.45Å; K118-V121 WeakPolarHBondContact O-CG1 3.41Å
119	N	91.3	Very high	97.1	Very high	107 Å²	107	52.8 Å²	52.8	57%	0.572	27%	0.265	S	S	*	.	S	Bend	trans	-85.5	-36.4	-175.3	-78.7	-24.8	0	0	0	113.5	V121 Y122 H168	N119-V121 VanDerWaalsContact C-N 3.28Å; N119-V121 PolarHBondContact O-N 2.97Å; N119-Y122 WeakPolarHBondContact O-CD2 3.39Å; N119-H168 PolarHBondContact OD1-CE1 2.79Å; N119-H168 PolarHBondContact OD1-ND1 3.06Å
120	D	93.3	Very high	97	Very high	102 Å²	102	57.8 Å²	57.8	55%	0.545	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-11.8	-177.1	55.9	-17.9	0	0	0	113.2	K118 Y122 E123	K118-D120 WeakPolarHBondContact CB-OD1 3.45Å; D120-Y122 PolarHBondContact O-N 3.46Å; D120-E123 WeakPolarHBondContact O-CB 3.42Å; D120-E123 PolarHBondContact O-N 3.22Å
121	V	96.5	Very high	97	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-54.6	-25.1	-178.3	76.1	0	0	0	0	113.9	A114 F116 K118 N119 E123 I124 I125	A114-V121 HydrophobicContact CB-CG2 3.35Å; F116-V121 HydrophobicContact CD1-CG1 4.32Å; K118-V121 WeakPolarHBondContact O-CG1 3.41Å; N119-V121 VanDerWaalsContact C-N 3.28Å; N119-V121 PolarHBondContact O-N 2.97Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-I124 HydrophobicContact CG2-CD1 4.24Å; V121-I124 HydrophobicContact CG2-CG1 4.43Å; V121-I124 WeakPolarHBondContact O-CG1 3.5Å; V121-I125 HydrophobicContact CG2-CD1 4.14Å; V121-I125 WeakPolarHBondContact O-CD1 3.49Å; V121-I125 VanDerWaalsContact O-CG1 3.31Å; V121-I125 WeakPolarHBondContact O-CG1 3.48Å; V121-I125 PolarHBondContact O-N 3.16Å
122	Y	97.5	Very high	97	Very high	13 Å²	13	55.8 Å²	55.8	5%	0.051	28%	0.282	C	S	.	.	H	α-helix	trans	-76.3	-20.5	178.8	-53.9	-74	0	0	0	113.4	F116 N119 D120 I124 I125 K126 L172 S173 T176 M177 I180	F116-Y122 HydrophobicContact CD1-CE1 4.15Å; F116-Y122 AromaticContact CE1-CE1 3.96Å; F116-Y122 HydrophobicContact CE1-CE1 3.96Å; N119-Y122 WeakPolarHBondContact O-CD2 3.39Å; D120-Y122 PolarHBondContact O-N 3.46Å; Y122-I124 VanDerWaalsContact C-N 3.3Å; Y122-I125 HydrophobicContact CD1-CD1 4.39Å; Y122-I125 PolarHBondContact O-N 3.06Å; Y122-K126 WeakPolarHBondContact O-CB 3.34Å; Y122-K126 VanDerWaalsContact O-CG 3.24Å; Y122-K126 WeakPolarHBondContact O-CG 3.48Å; Y122-K126 PolarHBondContact O-N 2.9Å; Y122-L172 HydrophobicContact CE2-CD2 4.26Å; Y122-L172 HydrophobicContact CE2-CG 4.3Å; Y122-L172 PolarHBondContact OH-O 3.29Å; Y122-S173 WeakPolarHBondContact OH-CA 3.31Å; Y122-S173 PolarHBondContact OH-N 3.41Å; Y122-T176 HydrophobicContact CD1-CG2 3.38Å; Y122-T176 HydrophobicContact CD2-CG2 3.81Å; Y122-T176 HydrophobicContact CE1-CG2 3.53Å; Y122-T176 HydrophobicContact CE2-CG2 3.97Å; Y122-T176 HydrophobicContact CG-CG2 3.53Å; Y122-M177 HydrophobicContact CD1-SD 4.33Å; Y122-M177 HydrophobicContact CE1-CG 4.41Å; Y122-M177 HydrophobicContact CE1-SD 4.34Å; Y122-I180 HydrophobicContact CD1-CD1 3.95Å; Y122-I180 HydrophobicContact CG-CD1 4.41Å
123	E	96.6	Very high	97	Very high	146 Å²	146	57.8 Å²	57.8	68%	0.682	30%	0.296	S	S	*	.	H	α-helix	trans	-67.3	-34	176.1	-61.6	-177.9	-178	0	0	111.3	D120 V121 P127	D120-E123 WeakPolarHBondContact O-CB 3.42Å; D120-E123 PolarHBondContact O-N 3.22Å; V121-E123 VanDerWaalsContact C-N 3.33Å; E123-P127 WeakPolarHBondContact O-CD 3.33Å
124	I	96.3	Very high	97	Very high	88 Å²	88	56.1 Å²	56.1	45%	0.451	29%	0.286	S	S	.	.	H	α-helix	trans	-81.3	-31.6	173.8	62.9	166.8	0	0	0	112.4	V112 V113 V121 Y122 T128	V112-I124 HydrophobicContact CG1-CD1 4.2Å; V112-I124 HydrophobicContact CG1-CG1 4.43Å; V113-I124 WeakPolarHBondContact O-CD1 3.39Å; V121-I124 HydrophobicContact CG2-CD1 4.24Å; V121-I124 HydrophobicContact CG2-CG1 4.43Å; V121-I124 WeakPolarHBondContact O-CG1 3.5Å; Y122-I124 VanDerWaalsContact C-N 3.3Å; I124-T128 WeakPolarHBondContact O-CG2 3.44Å
125	I	97.9	Very high	97	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-73.9	-46.3	-178.4	-68	166.9	0	0	0	111.2	I87 V112 A114 F116 V121 Y122 T128 I129 M177	I87-I125 HydrophobicContact CD1-CG2 4.05Å; I87-I125 HydrophobicContact CG2-CD1 4.16Å; I87-I125 HydrophobicContact CG2-CG1 4.5Å; V112-I125 HydrophobicContact CG1-CG1 4.14Å; A114-I125 HydrophobicContact CB-CD1 3.96Å; A114-I125 HydrophobicContact CB-CG1 4.25Å; F116-I125 HydrophobicContact CE1-CD1 3.86Å; F116-I125 HydrophobicContact CZ-CD1 3.85Å; V121-I125 HydrophobicContact CG2-CD1 4.14Å; V121-I125 WeakPolarHBondContact O-CD1 3.49Å; V121-I125 VanDerWaalsContact O-CG1 3.31Å; V121-I125 WeakPolarHBondContact O-CG1 3.48Å; V121-I125 PolarHBondContact O-N 3.16Å; Y122-I125 HydrophobicContact CD1-CD1 4.39Å; Y122-I125 PolarHBondContact O-N 3.06Å; I125-T128 PolarHBondContact O-N 2.9Å; I125-T128 VanDerWaalsContact O-N 3.08Å; I125-T128 PolarHBondContact O-OG1 3.46Å; I125-I129 HydrophobicContact CG2-CD1 4.48Å; I125-I129 HydrophobicContact CG2-CG1 3.76Å; I125-I129 PolarHBondContact O-N 3.36Å; I125-I129 VanDerWaalsContact O-N 3.15Å; I125-M177 HydrophobicContact CD1-SD 4.01Å; I125-M177 HydrophobicContact CG2-CE 3.86Å; I125-M177 HydrophobicContact CG2-SD 3.82Å
126	K	97.9	Very high	97.1	Very high	96 Å²	96	53.4 Å²	53.4	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-52.1	-51.4	-172.7	-75.9	168.4	-176.1	177.2	0	113.6	Y122 T128 I129 E130 I180	Y122-K126 WeakPolarHBondContact O-CB 3.34Å; Y122-K126 VanDerWaalsContact O-CG 3.24Å; Y122-K126 WeakPolarHBondContact O-CG 3.48Å; Y122-K126 PolarHBondContact O-N 2.9Å; K126-T128 PolarHBondContact O-N 3.08Å; K126-I129 PolarHBondContact O-N 2.99Å; K126-I129 VanDerWaalsContact O-N 3.14Å; K126-E130 WeakPolarHBondContact O-CG 3.26Å; K126-E130 PolarHBondContact O-N 3.34Å; K126-I180 HydrophobicContact CD-CD1 4.37Å; K126-I180 HydrophobicContact CD-CG1 4.41Å; K126-I180 HydrophobicContact CG-CD1 3.65Å; K126-I180 HydrophobicContact CG-CG1 3.82Å; K126-I180 HydrophobicContact CG-CG2 4Å
127	P	97.5	Very high	97.1	Very high	60 Å²	60	53.1 Å²	53.1	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-32.9	-178.9	-22.8	34.7	0	0	0	113	E123 E130 Q131	E123-P127 WeakPolarHBondContact O-CD 3.33Å; P127-E130 PolarHBondContact O-N 2.88Å; P127-Q131 WeakPolarHBondContact O-CG 3.27Å; P127-Q131 PolarHBondContact O-N 2.95Å
128	T	97.3	Very high	97.2	Very high	31 Å²	31	52.2 Å²	52.2	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-72.3	-33.6	179.5	70.6	0	0	0	0	112.4	V112 I124 I125 K126	V112-T128 HydrophobicContact CG2-CG2 3.7Å; V112-T128 WeakPolarHBondContact CG2-OG1 3.3Å; I124-T128 WeakPolarHBondContact O-CG2 3.44Å; I125-T128 PolarHBondContact O-N 2.9Å; I125-T128 VanDerWaalsContact O-N 3.08Å; I125-T128 PolarHBondContact O-OG1 3.46Å; K126-T128 PolarHBondContact O-N 3.08Å
129	I	97.8	Very high	97.3	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-72	-37.6	175.4	-64.3	-59	0	0	0	111	V61 M85 I125 K126 Q131 L132 I135 I180 I181	V61-I129 HydrophobicContact CG1-CD1 3.9Å; V61-I129 HydrophobicContact CG2-CD1 3.83Å; M85-I129 HydrophobicContact CG-CD1 4.02Å; I125-I129 HydrophobicContact CG2-CD1 4.48Å; I125-I129 HydrophobicContact CG2-CG1 3.76Å; I125-I129 PolarHBondContact O-N 3.36Å; I125-I129 VanDerWaalsContact O-N 3.15Å; K126-I129 PolarHBondContact O-N 2.99Å; K126-I129 VanDerWaalsContact O-N 3.14Å; I129-Q131 PolarHBondContact O-N 3.29Å; I129-L132 HydrophobicContact CD1-CD1 4.08Å; I129-L132 WeakPolarHBondContact O-CB 3.33Å; I129-L132 WeakPolarHBondContact O-CG 3.44Å; I129-L132 PolarHBondContact O-N 3.42Å; I129-L132 VanDerWaalsContact O-N 3.1Å; I129-I135 HydrophobicContact CG2-CD1 3.84Å; I129-I180 HydrophobicContact CB-CG2 4.45Å; I129-I180 HydrophobicContact CG2-CG2 4.23Å; I129-I181 HydrophobicContact CD1-CD1 4.33Å; I129-I181 HydrophobicContact CG2-CG1 3.79Å
130	E	96.8	Very high	97.6	Very high	140 Å²	140	42.6 Å²	42.6	65%	0.654	22%	0.218	S	C	*	.	H	α-helix	trans	-61.2	-33.1	177.3	-73.9	170.6	-178.6	0	0	112.6	K126 P127 L132	K126-E130 WeakPolarHBondContact O-CG 3.26Å; K126-E130 PolarHBondContact O-N 3.34Å; P127-E130 PolarHBondContact O-N 2.88Å; E130-L132 PolarHBondContact O-N 3.23Å
131	Q	97.6	Very high	97.9	Very high	127 Å²	127	38.7 Å²	38.7	59%	0.593	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.4	176.7	-66.9	170.2	13.9	0	0	114.4	P127 I129	P127-Q131 WeakPolarHBondContact O-CG 3.27Å; P127-Q131 PolarHBondContact O-N 2.95Å; I129-Q131 PolarHBondContact O-N 3.29Å
132	L	98.4	Very high	98	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.201	C	C	.	.	S	Bend	trans	-77	140.4	176.5	-53.3	-174.3	0	0	0	109.2	W59 V61 M85 I129 E130 I135 K184	W59-L132 HydrophobicContact CB-CB 4.47Å; W59-L132 HydrophobicContact CB-CD1 4.11Å; W59-L132 HydrophobicContact CD2-CB 4.46Å; W59-L132 HydrophobicContact CD2-CD1 4.33Å; W59-L132 HydrophobicContact CD2-CD2 3.65Å; W59-L132 HydrophobicContact CD2-CG 4.36Å; W59-L132 HydrophobicContact CE3-CD1 4.41Å; W59-L132 HydrophobicContact CE3-CD2 3.79Å; W59-L132 HydrophobicContact CG-CB 4.06Å; W59-L132 HydrophobicContact CG-CD1 4.2Å; W59-L132 HydrophobicContact CG-CD2 4.13Å; W59-L132 HydrophobicContact CG-CG 4.35Å; W59-L132 HydrophobicContact CH2-CD2 4.33Å; W59-L132 HydrophobicContact CZ2-CD2 4.18Å; W59-L132 HydrophobicContact CZ3-CD2 4.12Å; V61-L132 HydrophobicContact CG2-CD1 3.99Å; M85-L132 HydrophobicContact CB-CD1 4Å; M85-L132 HydrophobicContact CE-CD1 4.37Å; M85-L132 HydrophobicContact CE-CD2 3.93Å; M85-L132 HydrophobicContact CE-CG 4.47Å; M85-L132 HydrophobicContact CG-CD1 4.36Å; I129-L132 HydrophobicContact CD1-CD1 4.08Å; I129-L132 WeakPolarHBondContact O-CB 3.33Å; I129-L132 WeakPolarHBondContact O-CG 3.44Å; I129-L132 PolarHBondContact O-N 3.42Å; I129-L132 VanDerWaalsContact O-N 3.1Å; E130-L132 PolarHBondContact O-N 3.23Å; L132-I135 HydrophobicContact CB-CG1 4.39Å; L132-I135 HydrophobicContact CD1-CD1 4.29Å; L132-I135 HydrophobicContact CD1-CG1 4.4Å; L132-K184 WeakPolarHBondContact O-CE 3.31Å; L132-K184 PolarHBondContact O-NZ 3.26Å
133	S	97.7	Very high	98	Very high	54 Å²	54	39.7 Å²	39.7	38%	0.378	21%	0.209	S	C	.	.	S	Bend	trans	-62.3	-70.7	179.1	45.8	0	0	0	0	110.9	E58 W59 K184	E58-S133 WeakPolarHBondContact OE2-CB 3.17Å; E58-S133 PolarHBondContact OE2-OG 3.33Å; W59-S133 PolarHBondContact NE1-OG 3.4Å; S133-K184 WeakPolarHBondContact O-CE 3.46Å; S133-K184 PolarHBondContact O-NZ 2.89Å
134	T	98.6	Very high	98	Very high	17 Å²	17	35.3 Å²	35.3	10%	0.104	19%	0.188	C	C	.	.			trans	-140.6	143.6	-177.8	63.6	0	0	0	0	109.3	G57 E58 W59 Q188 E190	G57-T134 VanDerWaalsContact CA-OG1 3.29Å; G57-T134 WeakPolarHBondContact CA-OG1 3.45Å; E58-T134 PolarHBondContact N-O 3.08Å; E58-T134 VanDerWaalsContact N-O 3.16Å; E58-T134 PolarHBondContact N-OG1 3.43Å; W59-T134 WeakPolarHBondContact CB-O 3.31Å; W59-T134 PolarHBondContact N-O 2.91Å; T134-Q188 HydrophobicContact CG2-CB 4.15Å; T134-E190 WeakPolarHBondContact CG2-OE2 3.39Å
135	I	98.8	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.9	-173.6	-55.6	176.6	0	0	0	108.8	W59 V61 I129 L132 I181 K184 M185 Q188	W59-I135 CarbonylContact O-C 3.15Å; W59-I135 WeakPolarHBondContact O-CA 3.28Å; V61-I135 HydrophobicContact CG2-CD1 4.28Å; V61-I135 HydrophobicContact CG2-CG2 4.08Å; I129-I135 HydrophobicContact CG2-CD1 3.84Å; L132-I135 HydrophobicContact CB-CG1 4.39Å; L132-I135 HydrophobicContact CD1-CD1 4.29Å; L132-I135 HydrophobicContact CD1-CG1 4.4Å; I135-I181 HydrophobicContact CD1-CG1 4.29Å; I135-I181 HydrophobicContact CD1-CG2 3.95Å; I135-I181 HydrophobicContact CG2-CG2 4.05Å; I135-K184 HydrophobicContact CD1-CD 3.86Å; I135-K184 HydrophobicContact CG1-CD 4.32Å; I135-M185 HydrophobicContact CB-CE 4.3Å; I135-M185 HydrophobicContact CB-CG 4.31Å; I135-M185 HydrophobicContact CG2-CE 3.56Å; I135-Q188 PolarHBondContact O-NE2 2.97Å; I135-Q188 PolarHBondContact O-OE1 3.4Å
136	A	98.8	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-43	176.2	0	0	0	0	0	112	L53 A56 W59 L82 P193 G194	L53-A136 WeakPolarHBondContact O-CB 3.36Å; A56-A136 HydrophobicContact CB-CB 4.23Å; W59-A136 PolarHBondContact O-N 3.31Å; L82-A136 HydrophobicContact CD1-CB 4.39Å; L82-A136 HydrophobicContact CD2-CB 3.58Å; A136-P193 CarbonylContact O-C 3.52Å; A136-P193 WeakPolarHBondContact O-CA 3.33Å; A136-G194 PolarHBondContact O-N 3.43Å
137	C	98.6	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	140.3	-170.5	-167.4	0	0	0	0	112.6	L53 A60 V61 G194	L53-C137 HydrophobicContact CD2-CB 4.07Å; A60-C137 CarbonylContact C-O 3.57Å; A60-C137 VanDerWaalsContact CA-O 3.29Å; A60-C137 WeakPolarHBondContact CA-O 3.27Å; A60-C137 HydrophobicContact CB-CB 4.44Å; V61-C137 PolarHBondContact N-O 2.86Å; C137-G194 CarbonylContact C-O 3.59Å; C137-G194 VanDerWaalsContact CA-O 3.24Å; C137-G194 WeakPolarHBondContact CA-O 3.3Å
138	L	98.9	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.4	163.2	169	59.6	0	0	0	108.7	V61 N140 M177 I181 M185 G194 I195 I196	V61-L138 HydrophobicContact CB-CD1 4.09Å; V61-L138 HydrophobicContact CG1-CD1 4.11Å; V61-L138 CarbonylContact O-C 3.47Å; V61-L138 WeakPolarHBondContact O-CA 3.2Å; L138-N140 WeakPolarHBondContact CD2-ND2 3.25Å; L138-M177 HydrophobicContact CD2-CB 4.21Å; L138-I181 HydrophobicContact CB-CD1 4.42Å; L138-I181 HydrophobicContact CB-CG2 4.36Å; L138-I181 HydrophobicContact CD1-CD1 3.7Å; L138-I181 HydrophobicContact CD2-CB 4.37Å; L138-I181 HydrophobicContact CD2-CD1 4.01Å; L138-I181 HydrophobicContact CG-CD1 4.25Å; L138-M185 HydrophobicContact CB-CE 4.01Å; L138-G194 PolarHBondContact N-O 2.87Å; L138-I195 HydrophobicContact CB-CG1 4.37Å; L138-I195 HydrophobicContact CD2-CG2 4.34Å; L138-I195 HydrophobicContact CG-CG2 4.46Å; L138-I195 CarbonylContact O-C 3.52Å; L138-I195 WeakPolarHBondContact O-CA 2.91Å; L138-I196 PolarHBondContact O-N 2.98Å
139	V	98.9	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	100.6	170.4	-173	0	0	0	0	108.8	V61 V62 T63 Y73 L77 N141 I196	V61-V139 PolarHBondContact O-N 2.96Å; V62-V139 HydrophobicContact CB-CB 4.43Å; V62-V139 HydrophobicContact CG1-CB 4.13Å; V62-V139 HydrophobicContact CG1-CG1 4.4Å; V62-V139 HydrophobicContact CG2-CB 4.18Å; V62-V139 HydrophobicContact CG2-CG2 4.13Å; T63-V139 PolarHBondContact N-O 3.38Å; T63-V139 PolarHBondContact OG1-O 3.37Å; Y73-V139 HydrophobicContact CD1-CG1 4.07Å; Y73-V139 HydrophobicContact CD1-CG2 3.95Å; Y73-V139 HydrophobicContact CG-CG1 4.06Å; L77-V139 HydrophobicContact CD1-CG2 3.76Å; V139-N141 VanDerWaalsContact C-N 3.34Å; V139-N141 HydrophobicContact CG1-CB 3.95Å; V139-N141 PolarHBondContact O-N 2.94Å; V139-N141 VanDerWaalsContact O-N 3.1Å; V139-I196 CarbonylContact C-O 3.51Å; V139-I196 WeakPolarHBondContact CA-O 3.21Å; V139-I196 HydrophobicContact CG2-CB 4.38Å; V139-I196 HydrophobicContact CG2-CD1 4.46Å
140	N	98.9	Very high	96.7	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	85.5	170.8	-68.1	-46.6	0	0	0	108.8	T63 L138 A174 T178 I196 N197 I198	T63-N140 WeakPolarHBondContact OG1-CA 3.34Å; L138-N140 WeakPolarHBondContact CD2-ND2 3.25Å; N140-A174 HydrophobicContact CB-CB 3.93Å; N140-T178 PolarHBondContact ND2-OG1 3.33Å; N140-I196 PolarHBondContact N-O 2.61Å; N140-N197 VanDerWaalsContact CB-OD1 3.29Å; N140-N197 WeakPolarHBondContact CB-OD1 3.44Å; N140-N197 PolarHBondContact ND2-OD1 3.16Å; N140-I198 PolarHBondContact O-N 3.44Å
141	N	98.8	Very high	96.6	Very high	21 Å²	21	35.9 Å²	35.9	11%	0.112	20%	0.199	C	C	.	.			trans	-107.5	-27.3	-178.3	160	84.2	0	0	0	112.9	T63 G64 I69 G70 V139 G143 I198	T63-N141 VanDerWaalsContact O-CB 3.32Å; T63-N141 WeakPolarHBondContact O-CB 3.43Å; T63-N141 PolarHBondContact O-ND2 3.03Å; T63-N141 PolarHBondContact OG1-N 3.49Å; G64-N141 PolarHBondContact O-ND2 3.31Å; I69-N141 WeakPolarHBondContact CB-OD1 3.46Å; I69-N141 WeakPolarHBondContact CG2-OD1 3.48Å; G70-N141 VanDerWaalsContact CA-ND2 3.26Å; G70-N141 WeakPolarHBondContact CA-ND2 3.49Å; G70-N141 PolarHBondContact N-ND2 2.95Å; V139-N141 VanDerWaalsContact C-N 3.34Å; V139-N141 HydrophobicContact CG1-CB 3.95Å; V139-N141 PolarHBondContact O-N 2.94Å; V139-N141 VanDerWaalsContact O-N 3.1Å; N141-G143 PolarHBondContact O-N 3.36Å; N141-I198 HydrophobicContact CB-CB 4.44Å; N141-I198 HydrophobicContact CB-CG1 3.72Å
142	V	98.3	Very high	96.5	Very high	20 Å²	20	33 Å²	33	12%	0.121	20%	0.197	C	C	.	.			trans	-51.9	139.9	-177.4	67.6	0	0	0	0	111.2	T63 F116 S173	T63-V142 PolarHBondContact O-N 3.32Å; T63-V142 PolarHBondContact OG1-N 3.06Å; T63-V142 VanDerWaalsContact OG1-N 3.13Å; F116-V142 HydrophobicContact CB-CG2 4.39Å; F116-V142 HydrophobicContact CD2-CB 4.16Å; F116-V142 HydrophobicContact CD2-CG1 3.89Å; F116-V142 HydrophobicContact CD2-CG2 3.73Å; F116-V142 HydrophobicContact CE2-CB 4.38Å; F116-V142 HydrophobicContact CE2-CG1 4.09Å; F116-V142 HydrophobicContact CE2-CG2 4.37Å; F116-V142 HydrophobicContact CG-CG1 4.09Å; F116-V142 HydrophobicContact CG-CG2 4.33Å; V142-S173 WeakPolarHBondContact CG1-OG 3.26Å
143	G	97.3	Very high	96.2	Very high	21 Å²	21	36.9 Å²	36.9	22%	0.216	24%	0.238	C	C	.	.			trans	179.5	162	174.2	0	0	0	0	0	111.8	N141 N170 M250	N141-G143 PolarHBondContact O-N 3.36Å; G143-N170 WeakPolarHBondContact CA-OD1 3.47Å; G143-M250 VanDerWaalsContact O-CE 3.26Å; G143-M250 WeakPolarHBondContact O-CE 3.1Å
144	M	97.1	Very high	95.8	Very high	53 Å²	53	37.4 Å²	37.4	26%	0.261	23%	0.234	S	C	.	.			trans	-132.2	154.2	178.1	64.8	-175.4	-65.4	0	0	110.6	T117 N165 I166 C169 N170 Y213	T117-M144 HydrophobicContact CG2-SD 3.97Å; M144-N165 HydrophobicContact CE-CB 4.42Å; M144-N165 HydrophobicContact SD-CB 4.2Å; M144-I166 HydrophobicContact CG-CB 4.11Å; M144-I166 HydrophobicContact CG-CG1 3.98Å; M144-I166 WeakPolarHBondContact O-CD1 3.44Å; M144-I166 HydrophobicContact SD-CB 4.35Å; M144-C169 HydrophobicContact CG-CB 3.91Å; M144-C169 HydrophobicContact SD-CB 3.76Å; M144-N170 PolarHBondContact N-OD1 3.28Å; M144-N170 PolarHBondContact O-ND2 3.25Å; M144-N170 PolarHBondContact O-OD1 3.48Å; M144-Y213 VanDerWaalsContact O-CD2 3.28Å; M144-Y213 WeakPolarHBondContact O-CD2 3.34Å
145	G	94.9	Very high	95.3	Very high	33 Å²	33	43.7 Å²	43.7	34%	0.34	27%	0.272	S	S	.	.			trans	-100.8	171.7	167.2	0	0	0	0	0	111.1
146	L	94.6	Very high	94.9	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.131	30%	0.296	C	S	.	.			trans	-111.7	163.7	165.2	-63.2	-178.7	0	0	0	108.7	P158 I166 V212	L146-P158 HydrophobicContact CD1-CB 3.8Å; L146-P158 HydrophobicContact CD1-CG 3.61Å; L146-I166 HydrophobicContact CD1-CD1 4.31Å; L146-I166 HydrophobicContact CD1-CG2 4.12Å; L146-I166 HydrophobicContact CD2-CB 4.41Å; L146-I166 HydrophobicContact CD2-CD1 4.49Å; L146-I166 HydrophobicContact CG-CB 4.48Å; L146-I166 HydrophobicContact CG-CD1 3.82Å; L146-I166 HydrophobicContact CG-CG2 4.45Å; L146-V212 HydrophobicContact CD1-CB 4.24Å; L146-V212 HydrophobicContact CD1-CG2 4.43Å
147	P	90.9	Very high	94.7	Very high	78 Å²	78	49.3 Å²	49.3	51%	0.506	30%	0.304	S	S	.	.			trans	-49.5	146.2	169.6	-28.4	37.1	0	0	0	112.5	E149	P147-E149 HydrophobicContact CB-CG 3.72Å; P147-E149 PolarHBondContact O-N 2.96Å
148	F	90.9	Very high	94.6	Very high	76 Å²	76	50.6 Å²	50.6	33%	0.333	31%	0.313	S	S	.	.	S	Bend	trans	-76.5	67.9	179.5	-70.4	-83.4	0	0	0	111.5	L210 V309 R312 K313	F148-L210 HydrophobicContact CD1-CD2 3.83Å; F148-L210 HydrophobicContact CD1-CG 4Å; F148-L210 HydrophobicContact CE1-CD1 3.83Å; F148-L210 HydrophobicContact CE1-CD2 3.45Å; F148-L210 VanDerWaalsContact CE1-CD2 3.45Å; F148-L210 HydrophobicContact CE1-CG 3.66Å; F148-L210 HydrophobicContact CZ-CD2 4.15Å; F148-V309 HydrophobicContact CB-CG1 4.11Å; F148-V309 HydrophobicContact CD1-CG2 4.28Å; F148-R312 VanDerWaalsContact CZ-NH1 3.28Å; F148-K313 WeakPolarHBondContact O-CE 3.46Å
149	E	91.4	Very high	94.5	Very high	36 Å²	36	54.8 Å²	54.8	17%	0.168	34%	0.335	C	S	.	.			trans	-122	165	-173.3	-55.9	-75.9	-166.1	0	0	110.3	P147 E154 N156 K313	P147-E149 HydrophobicContact CB-CG 3.72Å; P147-E149 PolarHBondContact O-N 2.96Å; E149-E154 WeakPolarHBondContact CA-OE2 3.24Å; E149-E154 WeakPolarHBondContact CB-OE2 3.43Å; E149-N156 HydrophobicContact CG-CB 3.62Å; E149-N156 WeakPolarHBondContact OE1-CB 3.47Å; E149-N156 PolarHBondContact OE1-ND2 2.9Å; E149-N156 VanDerWaalsContact OE1-ND2 3.13Å; E149-K313 VanDerWaalsContact OE2-CE 3.3Å; E149-K313 WeakPolarHBondContact OE2-CE 3.46Å; E149-K313 IonicContact OE2-NZ 2.74Å; E149-K313 PolarHBondContact OE2-NZ 3.37Å
150	L	94	Very high	94.4	Very high	72 Å²	72	62.4 Å²	62.4	38%	0.377	37%	0.37	S	S	.	.			trans	-59	150.7	169	-69.5	178.1	0	0	0	109.6	A152 E154 S157 Y209	L150-A152 WeakPolarHBondContact CB-O 3.34Å; L150-A152 PolarHBondContact O-N 3.27Å; L150-E154 HydrophobicContact CB-CG 4.03Å; L150-E154 HydrophobicContact CD1-CG 3.99Å; L150-E154 HydrophobicContact CG-CG 4.16Å; L150-E154 PolarHBondContact N-OE2 2.76Å; L150-S157 PolarHBondContact O-OG 2.83Å; L150-Y209 HydrophobicContact CD2-CD1 4.37Å; L150-Y209 HydrophobicContact CD2-CE1 3.8Å; L150-Y209 HydrophobicContact CG-CE1 4.23Å
151	F	95.6	Very high	94.3	Very high	110 Å²	110	67.3 Å²	67.3	48%	0.482	39%	0.393	S	S	.	.	S	Bend	trans	-64.2	-29.7	178.9	176.5	-109.4	0	0	0	112.3	I163 V212	F151-I163 HydrophobicContact CE2-CD1 4.37Å; F151-V212 HydrophobicContact CD2-CG2 3.91Å; F151-V212 HydrophobicContact CE2-CG2 3.77Å
152	A	95.4	Very high	94.3	Very high	67 Å²	67	68.4 Å²	68.4	55%	0.554	40%	0.401	S	S	*	.	S	Bend	trans	-148.8	156.8	174.3	0	0	0	0	0	109.6	L150 S157	L150-A152 WeakPolarHBondContact CB-O 3.34Å; L150-A152 PolarHBondContact O-N 3.27Å; A152-S157 WeakPolarHBondContact CA-OG 3.41Å
153	G	91.6	Very high	94.3	Very high	84 Å²	84	69.8 Å²	69.8	87%	0.866	41%	0.407	S	S	*	.	S	Bend	trans	92.8	-6.3	172.5	0	0	0	0	0	116	S157	G153-S157 PolarHBondContact N-OG 2.84Å
154	E	88.7	Confident	94.3	Very high	66 Å²	66	73.8 Å²	73.8	31%	0.308	42%	0.415	S	S	.	.	S	Bend	trans	-108.1	153.8	170.9	-69.7	-178.8	156.2	0	0	111	E149 L150 N156 S157 K313	E149-E154 WeakPolarHBondContact CA-OE2 3.24Å; E149-E154 WeakPolarHBondContact CB-OE2 3.43Å; L150-E154 HydrophobicContact CB-CG 4.03Å; L150-E154 HydrophobicContact CD1-CG 3.99Å; L150-E154 HydrophobicContact CG-CG 4.16Å; L150-E154 PolarHBondContact N-OE2 2.76Å; E154-N156 PolarHBondContact O-N 2.87Å; E154-S157 WeakPolarHBondContact CA-OG 3.43Å; E154-S157 PolarHBondContact N-OG 2.7Å; E154-S157 VanDerWaalsContact O-CB 3.29Å; E154-S157 WeakPolarHBondContact O-CB 3.36Å; E154-S157 PolarHBondContact O-N 3.09Å; E154-S157 PolarHBondContact O-OG 2.7Å; E154-K313 IonicContact OE1-NZ 3.12Å; E154-K313 PolarHBondContact OE1-NZ 2.67Å; E154-K313 IonicContact OE2-NZ 3.72Å; E154-K313 PolarHBondContact OE2-NZ 2.98Å
155	V	89.3	Confident	94.4	Very high	148 Å²	148	72.5 Å²	72.5	90%	0.897	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-37.5	-178.4	175.5	0	0	0	0	112.4
156	N	89.8	Confident	94.5	Very high	94 Å²	94	70.9 Å²	70.9	50%	0.503	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	19.2	-178.8	-63.5	-31.7	0	0	0	112.7	E149 E154	E149-N156 HydrophobicContact CG-CB 3.62Å; E149-N156 WeakPolarHBondContact OE1-CB 3.47Å; E149-N156 PolarHBondContact OE1-ND2 2.9Å; E149-N156 VanDerWaalsContact OE1-ND2 3.13Å; E154-N156 PolarHBondContact O-N 2.87Å
157	S	95.2	Very high	94.7	Very high	25 Å²	25	73 Å²	73	18%	0.175	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-59.5	148.7	172.9	-55.3	0	0	0	0	110	L150 A152 G153 E154 N159	L150-S157 PolarHBondContact O-OG 2.83Å; A152-S157 WeakPolarHBondContact CA-OG 3.41Å; G153-S157 PolarHBondContact N-OG 2.84Å; E154-S157 WeakPolarHBondContact CA-OG 3.43Å; E154-S157 PolarHBondContact N-OG 2.7Å; E154-S157 VanDerWaalsContact O-CB 3.29Å; E154-S157 WeakPolarHBondContact O-CB 3.36Å; E154-S157 PolarHBondContact O-N 3.09Å; E154-S157 PolarHBondContact O-OG 2.7Å; S157-N159 PolarHBondContact O-N 3.4Å
158	P	96.3	Very high	95.1	Very high	27 Å²	27	70.7 Å²	70.7	18%	0.175	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-55.6	130.7	175	-24.8	34.6	0	0	0	112.4	L146 T162 I163	L146-P158 HydrophobicContact CD1-CB 3.8Å; L146-P158 HydrophobicContact CD1-CG 3.61Å; P158-T162 WeakPolarHBondContact CA-OG1 3.4Å; P158-I163 HydrophobicContact CB-CD1 4.16Å; P158-I163 HydrophobicContact CB-CG1 3.73Å
159	N	96.2	Very high	95.4	Very high	88 Å²	88	67.5 Å²	67.5	47%	0.471	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-97.2	172.6	168.8	67.4	24.2	0	0	0	111	S157 E161 T162 I163	S157-N159 PolarHBondContact O-N 3.4Å; N159-E161 PolarHBondContact O-N 3.08Å; N159-E161 VanDerWaalsContact O-N 3.14Å; N159-E161 PolarHBondContact OD1-N 3.19Å; N159-E161 VanDerWaalsContact OD1-N 3.13Å; N159-T162 PolarHBondContact N-OG1 2.81Å; N159-T162 PolarHBondContact O-N 2.81Å; N159-T162 PolarHBondContact O-OG1 2.84Å; N159-T162 WeakPolarHBondContact OD1-CG2 3.36Å; N159-T162 PolarHBondContact OD1-N 2.9Å; N159-T162 PolarHBondContact OD1-OG1 2.8Å; N159-T162 VanDerWaalsContact OD1-OG1 3.11Å; N159-I163 WeakPolarHBondContact O-CB 3.38Å; N159-I163 VanDerWaalsContact O-CG1 3.23Å; N159-I163 WeakPolarHBondContact O-CG1 3.41Å; N159-I163 PolarHBondContact O-N 3.31Å
160	E	96.7	Very high	95.8	Very high	159 Å²	159	65.9 Å²	65.9	74%	0.743	37%	0.366	S	S	*	.	H	α-helix	trans	-53.1	-37.7	-179	-66.8	-173.9	-179.3	0	0	113.6	R164	E160-R164 WeakPolarHBondContact O-CB 3.45Å; E160-R164 PolarHBondContact O-N 3.49Å
161	E	97.6	Very high	96	Very high	111 Å²	111	64.5 Å²	64.5	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-67.2	-52.3	179.5	-170.6	-170.8	163.7	0	0	112.3	N159 I163 R164 N165	N159-E161 PolarHBondContact O-N 3.08Å; N159-E161 VanDerWaalsContact O-N 3.14Å; N159-E161 PolarHBondContact OD1-N 3.19Å; N159-E161 VanDerWaalsContact OD1-N 3.13Å; E161-I163 VanDerWaalsContact C-N 3.27Å; E161-I163 PolarHBondContact O-N 3.04Å; E161-R164 PolarHBondContact O-N 3.33Å; E161-N165 WeakPolarHBondContact O-CB 3.41Å; E161-N165 PolarHBondContact O-N 3.1Å; E161-N165 PolarHBondContact O-OD1 3.09Å
162	T	97.5	Very high	96.1	Very high	43 Å²	43	62 Å²	62	26%	0.264	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-35	178.6	58.1	0	0	0	0	112.2	P158 N159 N165 I166	P158-T162 WeakPolarHBondContact CA-OG1 3.4Å; N159-T162 PolarHBondContact N-OG1 2.81Å; N159-T162 PolarHBondContact O-N 2.81Å; N159-T162 PolarHBondContact O-OG1 2.84Å; N159-T162 WeakPolarHBondContact OD1-CG2 3.36Å; N159-T162 PolarHBondContact OD1-N 2.9Å; N159-T162 PolarHBondContact OD1-OG1 2.8Å; N159-T162 VanDerWaalsContact OD1-OG1 3.11Å; T162-N165 PolarHBondContact O-N 3.41Å; T162-I166 WeakPolarHBondContact O-CG2 3.42Å; T162-I166 PolarHBondContact O-N 3.39Å
163	I	98.3	Very high	96.3	Very high	49 Å²	49	58.9 Å²	58.9	25%	0.251	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-47.3	174	-69.6	167.1	0	0	0	110.5	F151 P158 N159 E161 I166 I167	F151-I163 HydrophobicContact CE2-CD1 4.37Å; P158-I163 HydrophobicContact CB-CD1 4.16Å; P158-I163 HydrophobicContact CB-CG1 3.73Å; N159-I163 WeakPolarHBondContact O-CB 3.38Å; N159-I163 VanDerWaalsContact O-CG1 3.23Å; N159-I163 WeakPolarHBondContact O-CG1 3.41Å; N159-I163 PolarHBondContact O-N 3.31Å; E161-I163 VanDerWaalsContact C-N 3.27Å; E161-I163 PolarHBondContact O-N 3.04Å; I163-I166 VanDerWaalsContact O-CG2 3.25Å; I163-I166 WeakPolarHBondContact O-CG2 3.36Å; I163-I167 HydrophobicContact CG2-CD1 3.82Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.43Å; I163-I167 PolarHBondContact O-N 3.09Å; I163-I167 VanDerWaalsContact O-N 3.12Å
164	R	98.2	Very high	96.6	Very high	105 Å²	105	55.1 Å²	55.1	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-47.1	176.7	-168.5	-172.9	-37.5	93.8	6.9	111.4	E160 E161 I166 I167 H168	E160-R164 WeakPolarHBondContact O-CB 3.45Å; E160-R164 PolarHBondContact O-N 3.49Å; E161-R164 PolarHBondContact O-N 3.33Å; R164-I166 PolarHBondContact O-N 2.76Å; R164-I167 PolarHBondContact O-N 3.3Å; R164-H168 WeakPolarHBondContact CG-NE2 3.45Å; R164-H168 WeakPolarHBondContact O-CB 3.39Å; R164-H168 PolarHBondContact O-CD2 3.1Å; R164-H168 VanDerWaalsContact O-CD2 3.31Å; R164-H168 PolarHBondContact O-N 3.08Å
165	N	98.4	Very high	97.1	Very high	26 Å²	26	54.4 Å²	54.4	14%	0.139	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-45.7	-178	-68.5	-8.3	0	0	0	111.7	T117 M144 E161 T162 H168 C169	T117-N165 HydrophobicContact CG2-CB 3.91Å; M144-N165 HydrophobicContact CE-CB 4.42Å; M144-N165 HydrophobicContact SD-CB 4.2Å; E161-N165 WeakPolarHBondContact O-CB 3.41Å; E161-N165 PolarHBondContact O-N 3.1Å; E161-N165 PolarHBondContact O-OD1 3.09Å; T162-N165 PolarHBondContact O-N 3.41Å; N165-H168 PolarHBondContact O-N 3.43Å; N165-C169 WeakPolarHBondContact O-CB 3.49Å; N165-C169 PolarHBondContact O-N 3.38Å
166	I	98.4	Very high	97.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.1	-35.8	178.1	-170.2	166.1	0	0	0	112.6	M144 L146 T162 I163 R164 N170 V212 Y213 T216	M144-I166 HydrophobicContact CG-CB 4.11Å; M144-I166 HydrophobicContact CG-CG1 3.98Å; M144-I166 WeakPolarHBondContact O-CD1 3.44Å; M144-I166 HydrophobicContact SD-CB 4.35Å; L146-I166 HydrophobicContact CD1-CD1 4.31Å; L146-I166 HydrophobicContact CD1-CG2 4.12Å; L146-I166 HydrophobicContact CD2-CB 4.41Å; L146-I166 HydrophobicContact CD2-CD1 4.49Å; L146-I166 HydrophobicContact CG-CB 4.48Å; L146-I166 HydrophobicContact CG-CD1 3.82Å; L146-I166 HydrophobicContact CG-CG2 4.45Å; T162-I166 WeakPolarHBondContact O-CG2 3.42Å; T162-I166 PolarHBondContact O-N 3.39Å; I163-I166 VanDerWaalsContact O-CG2 3.25Å; I163-I166 WeakPolarHBondContact O-CG2 3.36Å; R164-I166 PolarHBondContact O-N 2.76Å; I166-N170 VanDerWaalsContact CG1-ND2 3.32Å; I166-N170 WeakPolarHBondContact CG1-ND2 3.44Å; I166-N170 WeakPolarHBondContact O-CB 3.47Å; I166-N170 PolarHBondContact O-N 3.49Å; I166-V212 HydrophobicContact CG2-CB 4.44Å; I166-V212 HydrophobicContact CG2-CG1 3.43Å; I166-V212 VanDerWaalsContact CG2-CG1 3.43Å; I166-Y213 HydrophobicContact CD1-CD2 4.27Å; I166-T216 HydrophobicContact CG1-CG2 4.37Å
167	I	98.5	Very high	97.9	Very high	70 Å²	70	44.3 Å²	44.3	36%	0.359	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-44.2	176.1	-71.3	170.1	0	0	0	110.3	I163 R164 I171 L172 T216	I163-I167 HydrophobicContact CG2-CD1 3.82Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.43Å; I163-I167 PolarHBondContact O-N 3.09Å; I163-I167 VanDerWaalsContact O-N 3.12Å; R164-I167 PolarHBondContact O-N 3.3Å; I167-I171 HydrophobicContact CG2-CD1 4.41Å; I167-I171 WeakPolarHBondContact O-CA 3.34Å; I167-I171 WeakPolarHBondContact O-CB 3.23Å; I167-I171 PolarHBondContact O-N 3.24Å; I167-L172 PolarHBondContact O-N 3.29Å; I167-T216 HydrophobicContact CG1-CG2 4.39Å
168	H	98.3	Very high	98.1	Very high	28 Å²	28	43.3 Å²	43.3	13%	0.13	22%	0.219	C	C	.	.	I	π-helix	trans	-62.6	-52.4	176.6	-71.9	-165	0	0	0	111.2	F116 T117 N119 R164 N165 N170 L172 S173	F116-H168 CarbonylContact O-C 3.31Å; F116-H168 VanDerWaalsContact O-C 3.31Å; F116-H168 WeakPolarHBondContact O-CB 3.21Å; T117-H168 PolarHBondContact O-ND1 2.99Å; T117-H168 VanDerWaalsContact O-ND1 3.08Å; N119-H168 PolarHBondContact OD1-CE1 2.79Å; N119-H168 PolarHBondContact OD1-ND1 3.06Å; R164-H168 WeakPolarHBondContact CG-NE2 3.45Å; R164-H168 WeakPolarHBondContact O-CB 3.39Å; R164-H168 PolarHBondContact O-CD2 3.1Å; R164-H168 VanDerWaalsContact O-CD2 3.31Å; R164-H168 PolarHBondContact O-N 3.08Å; N165-H168 PolarHBondContact O-N 3.43Å; H168-N170 PolarHBondContact O-N 3.15Å; H168-L172 WeakPolarHBondContact O-CB 3.45Å; H168-L172 PolarHBondContact O-N 3.47Å; H168-S173 PolarHBondContact O-N 2.85Å
169	C	98.6	Very high	98.2	Very high	10 Å²	10	46 Å²	46	7%	0.068	24%	0.239	C	C	.	.	I	π-helix	trans	-67.9	-35.2	-175.1	-175.7	0	0	0	0	113	F116 T117 M144 N165 S173	F116-C169 HydrophobicContact CB-CB 4.5Å; F116-C169 WeakPolarHBondContact O-CA 3.36Å; F116-C169 PolarHBondContact O-N 2.9Å; T117-C169 HydrophobicContact CG2-CB 4.24Å; M144-C169 HydrophobicContact CG-CB 3.91Å; M144-C169 HydrophobicContact SD-CB 3.76Å; N165-C169 WeakPolarHBondContact O-CB 3.49Å; N165-C169 PolarHBondContact O-N 3.38Å; C169-S173 WeakPolarHBondContact O-CB 3.41Å; C169-S173 PolarHBondContact O-OG 2.95Å
170	N	98.6	Very high	98.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.224	C	C	.	.	I	π-helix	trans	-97.2	-31.7	-175	-65.9	5.1	0	0	0	114.4	G143 M144 I166 H168 T216 I220	G143-N170 WeakPolarHBondContact CA-OD1 3.47Å; M144-N170 PolarHBondContact N-OD1 3.28Å; M144-N170 PolarHBondContact O-ND2 3.25Å; M144-N170 PolarHBondContact O-OD1 3.48Å; I166-N170 VanDerWaalsContact CG1-ND2 3.32Å; I166-N170 WeakPolarHBondContact CG1-ND2 3.44Å; I166-N170 WeakPolarHBondContact O-CB 3.47Å; I166-N170 PolarHBondContact O-N 3.49Å; H168-N170 PolarHBondContact O-N 3.15Å; N170-T216 HydrophobicContact CB-CG2 4.13Å; N170-T216 WeakPolarHBondContact CB-OG1 3.08Å; N170-T216 PolarHBondContact ND2-OG1 3.23Å; N170-I220 WeakPolarHBondContact O-CD1 3.47Å; N170-I220 WeakPolarHBondContact O-CG1 3.32Å
171	I	98.7	Very high	98.4	Very high	44 Å²	44	35.7 Å²	35.7	23%	0.226	19%	0.189	C	C	.	.	I	π-helix	trans	-106.4	-59.8	-177.2	-52.9	-178.8	0	0	0	110.4	I167 S173 A174 V175 T216 A219	I167-I171 HydrophobicContact CG2-CD1 4.41Å; I167-I171 WeakPolarHBondContact O-CA 3.34Å; I167-I171 WeakPolarHBondContact O-CB 3.23Å; I167-I171 PolarHBondContact O-N 3.24Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 2.91Å; I171-A174 PolarHBondContact O-N 2.95Å; I171-V175 HydrophobicContact CG2-CG2 4.24Å; I171-V175 WeakPolarHBondContact O-CG2 3.49Å; I171-V175 PolarHBondContact O-N 3.03Å; I171-V175 VanDerWaalsContact O-N 3.08Å; I171-T216 HydrophobicContact CD1-CG2 3.92Å; I171-T216 HydrophobicContact CG1-CG2 3.92Å; I171-A219 HydrophobicContact CD1-CB 3.82Å; I171-A219 HydrophobicContact CG1-CB 4.23Å
172	L	98.4	Very high	98.5	Very high	57 Å²	57	31.1 Å²	31.1	30%	0.298	17%	0.168	S	C	.	.	I	π-helix	trans	-61.3	-38.3	-171.9	-172.9	63.3	0	0	0	111.3	Y122 I167 H168 V175 T176	Y122-L172 HydrophobicContact CE2-CD2 4.26Å; Y122-L172 HydrophobicContact CE2-CG 4.3Å; Y122-L172 PolarHBondContact OH-O 3.29Å; I167-L172 PolarHBondContact O-N 3.29Å; H168-L172 WeakPolarHBondContact O-CB 3.45Å; H168-L172 PolarHBondContact O-N 3.47Å; L172-V175 PolarHBondContact O-N 3.37Å; L172-T176 WeakPolarHBondContact CD1-OG1 3.35Å; L172-T176 WeakPolarHBondContact O-CB 3.39Å; L172-T176 PolarHBondContact O-N 2.87Å; L172-T176 PolarHBondContact O-OG1 3.41Å
173	S	98.5	Very high	98.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-52.7	-55.6	173.7	65.2	0	0	0	0	112.1	F116 Y122 V142 H168 C169 I171 V175 M177	F116-S173 VanDerWaalsContact CD1-CB 3.45Å; Y122-S173 WeakPolarHBondContact OH-CA 3.31Å; Y122-S173 PolarHBondContact OH-N 3.41Å; V142-S173 WeakPolarHBondContact CG1-OG 3.26Å; H168-S173 PolarHBondContact O-N 2.85Å; C169-S173 WeakPolarHBondContact O-CB 3.41Å; C169-S173 PolarHBondContact O-OG 2.95Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 2.91Å; S173-V175 PolarHBondContact O-N 3.21Å; S173-M177 WeakPolarHBondContact O-CB 3.4Å; S173-M177 WeakPolarHBondContact O-CG 3.43Å; S173-M177 PolarHBondContact O-N 3.09Å
174	A	98.7	Very high	98.4	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-41.6	-176.4	0	0	0	0	0	112	N140 I171 T178 I220	N140-A174 HydrophobicContact CB-CB 3.93Å; I171-A174 PolarHBondContact O-N 2.95Å; A174-T178 WeakPolarHBondContact O-CB 3.46Å; A174-T178 PolarHBondContact O-N 3.18Å; A174-T178 VanDerWaalsContact O-N 3.09Å; A174-T178 PolarHBondContact O-OG1 3.29Å; A174-I220 HydrophobicContact CB-CD1 3.49Å; A174-I220 VanDerWaalsContact CB-CD1 3.49Å
175	V	98.6	Very high	98.4	Very high	52 Å²	52	27.6 Å²	27.6	32%	0.315	16%	0.157	S	C	.	.	H	α-helix	trans	-68.6	-48.9	-179.5	177.2	0	0	0	0	110.7	I171 L172 S173 T178 S179 F223	I171-V175 HydrophobicContact CG2-CG2 4.24Å; I171-V175 WeakPolarHBondContact O-CG2 3.49Å; I171-V175 PolarHBondContact O-N 3.03Å; I171-V175 VanDerWaalsContact O-N 3.08Å; L172-V175 PolarHBondContact O-N 3.37Å; S173-V175 PolarHBondContact O-N 3.21Å; V175-T178 PolarHBondContact O-N 3.35Å; V175-S179 WeakPolarHBondContact O-CB 3.37Å; V175-S179 PolarHBondContact O-N 2.92Å; V175-F223 HydrophobicContact CB-CE2 4.48Å; V175-F223 HydrophobicContact CG1-CE2 4.19Å; V175-F223 HydrophobicContact CG2-CD1 4.41Å; V175-F223 HydrophobicContact CG2-CD2 4.01Å; V175-F223 HydrophobicContact CG2-CE1 4.45Å; V175-F223 HydrophobicContact CG2-CE2 4.05Å; V175-F223 HydrophobicContact CG2-CG 4.19Å; V175-F223 HydrophobicContact CG2-CZ 4.27Å
176	T	98.5	Very high	98.4	Very high	30 Å²	30	28.8 Å²	28.8	18%	0.184	16%	0.163	C	C	.	.	H	α-helix	trans	-70.3	-42	-177.4	-55.4	0	0	0	0	111.8	Y122 L172 T178 S179 I180	Y122-T176 HydrophobicContact CD1-CG2 3.38Å; Y122-T176 HydrophobicContact CD2-CG2 3.81Å; Y122-T176 HydrophobicContact CE1-CG2 3.53Å; Y122-T176 HydrophobicContact CE2-CG2 3.97Å; Y122-T176 HydrophobicContact CG-CG2 3.53Å; L172-T176 WeakPolarHBondContact CD1-OG1 3.35Å; L172-T176 WeakPolarHBondContact O-CB 3.39Å; L172-T176 PolarHBondContact O-N 2.87Å; L172-T176 PolarHBondContact O-OG1 3.41Å; T176-T178 VanDerWaalsContact C-N 3.29Å; T176-T178 PolarHBondContact O-N 3.46Å; T176-S179 WeakPolarHBondContact O-CB 3.39Å; T176-S179 PolarHBondContact O-N 3.37Å; T176-S179 VanDerWaalsContact O-N 3.13Å; T176-I180 HydrophobicContact CG2-CD1 3.91Å; T176-I180 HydrophobicContact CG2-CG1 4.45Å; T176-I180 VanDerWaalsContact O-CG1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.39Å; T176-I180 PolarHBondContact O-N 3.37Å
177	M	98.8	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-40.5	174.2	-71.3	-58.1	-59.1	0	0	111.7	V61 T63 I87 F116 Y122 I125 L138 S173 I180 I181	V61-M177 HydrophobicContact CG1-CE 4.17Å; T63-M177 HydrophobicContact CG2-CE 4.4Å; T63-M177 HydrophobicContact CG2-CG 4.19Å; I87-M177 HydrophobicContact CD1-CE 3.68Å; F116-M177 HydrophobicContact CE1-CG 3.93Å; F116-M177 HydrophobicContact CE1-SD 4.05Å; F116-M177 HydrophobicContact CZ-CG 4.28Å; F116-M177 HydrophobicContact CZ-SD 4.25Å; Y122-M177 HydrophobicContact CD1-SD 4.33Å; Y122-M177 HydrophobicContact CE1-CG 4.41Å; Y122-M177 HydrophobicContact CE1-SD 4.34Å; I125-M177 HydrophobicContact CD1-SD 4.01Å; I125-M177 HydrophobicContact CG2-CE 3.86Å; I125-M177 HydrophobicContact CG2-SD 3.82Å; L138-M177 HydrophobicContact CD2-CB 4.21Å; S173-M177 WeakPolarHBondContact O-CB 3.4Å; S173-M177 WeakPolarHBondContact O-CG 3.43Å; S173-M177 PolarHBondContact O-N 3.09Å; M177-I180 PolarHBondContact O-N 2.99Å; M177-I181 HydrophobicContact CE-CD1 3.71Å; M177-I181 WeakPolarHBondContact O-CB 3.11Å; M177-I181 PolarHBondContact O-N 3.37Å
178	T	98.8	Very high	98.3	Very high	3 Å²	3	32 Å²	32	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-45.6	173.1	-60.8	0	0	0	0	111.1	N140 A174 V175 T176 I180 I181 L182 I195 F223 L227	N140-T178 PolarHBondContact ND2-OG1 3.33Å; A174-T178 WeakPolarHBondContact O-CB 3.46Å; A174-T178 PolarHBondContact O-N 3.18Å; A174-T178 VanDerWaalsContact O-N 3.09Å; A174-T178 PolarHBondContact O-OG1 3.29Å; V175-T178 PolarHBondContact O-N 3.35Å; T176-T178 VanDerWaalsContact C-N 3.29Å; T176-T178 PolarHBondContact O-N 3.46Å; T178-I180 VanDerWaalsContact C-N 3.26Å; T178-I180 PolarHBondContact O-N 3.32Å; T178-I181 PolarHBondContact O-N 3.45Å; T178-L182 HydrophobicContact CG2-CB 4.35Å; T178-L182 HydrophobicContact CG2-CD2 4.37Å; T178-L182 WeakPolarHBondContact O-CB 3.4Å; T178-L182 PolarHBondContact O-N 3.12Å; T178-I195 HydrophobicContact CG2-CD1 3.62Å; T178-F223 HydrophobicContact CG2-CE1 4.29Å; T178-F223 HydrophobicContact CG2-CZ 3.84Å; T178-L227 HydrophobicContact CG2-CD2 3.74Å
179	S	98.4	Very high	98.3	Very high	84 Å²	84	40.4 Å²	40.4	59%	0.587	22%	0.221	S	C	*	.	H	α-helix	trans	-61.8	-31.3	177.4	-175.4	0	0	0	0	113.5	V175 T176 P183	V175-S179 WeakPolarHBondContact O-CB 3.37Å; V175-S179 PolarHBondContact O-N 2.92Å; T176-S179 WeakPolarHBondContact O-CB 3.39Å; T176-S179 PolarHBondContact O-N 3.37Å; T176-S179 VanDerWaalsContact O-N 3.13Å; S179-P183 VanDerWaalsContact O-CD 3.24Å; S179-P183 WeakPolarHBondContact O-CD 3.45Å; S179-P183 WeakPolarHBondContact O-CG 3.46Å
180	I	98.4	Very high	98.3	Very high	31 Å²	31	42.6 Å²	42.6	16%	0.159	23%	0.23	C	C	.	.	H	α-helix	trans	-76.4	-43.9	177.7	-68.8	163.2	0	0	0	110.8	Y122 K126 I129 T176 M177 T178	Y122-I180 HydrophobicContact CD1-CD1 3.95Å; Y122-I180 HydrophobicContact CG-CD1 4.41Å; K126-I180 HydrophobicContact CD-CD1 4.37Å; K126-I180 HydrophobicContact CD-CG1 4.41Å; K126-I180 HydrophobicContact CG-CD1 3.65Å; K126-I180 HydrophobicContact CG-CG1 3.82Å; K126-I180 HydrophobicContact CG-CG2 4Å; I129-I180 HydrophobicContact CB-CG2 4.45Å; I129-I180 HydrophobicContact CG2-CG2 4.23Å; T176-I180 HydrophobicContact CG2-CD1 3.91Å; T176-I180 HydrophobicContact CG2-CG1 4.45Å; T176-I180 VanDerWaalsContact O-CG1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.39Å; T176-I180 PolarHBondContact O-N 3.37Å; M177-I180 PolarHBondContact O-N 2.99Å; T178-I180 VanDerWaalsContact C-N 3.26Å; T178-I180 PolarHBondContact O-N 3.32Å
181	I	98.7	Very high	98.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-89.9	-36.5	-168.3	-72.8	167.5	0	0	0	112.8	V61 I129 I135 L138 M177 T178 K184 M185	V61-I181 HydrophobicContact CB-CD1 3.97Å; V61-I181 HydrophobicContact CG1-CD1 3.89Å; V61-I181 HydrophobicContact CG2-CD1 3.96Å; I129-I181 HydrophobicContact CD1-CD1 4.33Å; I129-I181 HydrophobicContact CG2-CG1 3.79Å; I135-I181 HydrophobicContact CD1-CG1 4.29Å; I135-I181 HydrophobicContact CD1-CG2 3.95Å; I135-I181 HydrophobicContact CG2-CG2 4.05Å; L138-I181 HydrophobicContact CB-CD1 4.42Å; L138-I181 HydrophobicContact CB-CG2 4.36Å; L138-I181 HydrophobicContact CD1-CD1 3.7Å; L138-I181 HydrophobicContact CD2-CB 4.37Å; L138-I181 HydrophobicContact CD2-CD1 4.01Å; L138-I181 HydrophobicContact CG-CD1 4.25Å; M177-I181 HydrophobicContact CE-CD1 3.71Å; M177-I181 WeakPolarHBondContact O-CB 3.11Å; M177-I181 PolarHBondContact O-N 3.37Å; T178-I181 PolarHBondContact O-N 3.45Å; I181-K184 WeakPolarHBondContact O-CB 3.41Å; I181-K184 PolarHBondContact O-N 2.83Å; I181-K184 VanDerWaalsContact O-N 3.09Å; I181-M185 HydrophobicContact CG2-CE 3.55Å; I181-M185 HydrophobicContact CG2-CG 3.91Å; I181-M185 HydrophobicContact CG2-SD 3.8Å; I181-M185 PolarHBondContact O-N 3.43Å
182	L	98.6	Very high	98.1	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-42.2	-174.4	-178.8	60.6	0	0	0	113.2	T178 K184 M185 L186 I195 L227 Y232 V236	T178-L182 HydrophobicContact CG2-CB 4.35Å; T178-L182 HydrophobicContact CG2-CD2 4.37Å; T178-L182 WeakPolarHBondContact O-CB 3.4Å; T178-L182 PolarHBondContact O-N 3.12Å; L182-K184 VanDerWaalsContact C-N 3.27Å; L182-K184 PolarHBondContact O-N 3.34Å; L182-M185 HydrophobicContact CD1-CB 4.49Å; L182-M185 WeakPolarHBondContact O-CB 3.36Å; L182-M185 PolarHBondContact O-N 3.28Å; L182-M185 VanDerWaalsContact O-N 3.14Å; L182-L186 HydrophobicContact CD1-CD1 4.27Å; L182-L186 HydrophobicContact CD1-CD2 4.32Å; L182-L186 HydrophobicContact CD1-CG 3.99Å; L182-L186 HydrophobicContact CG-CD1 4.05Å; L182-L186 HydrophobicContact CG-CG 4.24Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.39Å; L182-L186 PolarHBondContact O-N 2.85Å; L182-I195 HydrophobicContact CD1-CD1 4.33Å; L182-L227 HydrophobicContact CD2-CD1 3.93Å; L182-Y232 HydrophobicContact CD2-CE2 4.4Å; L182-V236 HydrophobicContact CD1-CG1 4.15Å; L182-V236 HydrophobicContact CD1-CG2 4.24Å
183	P	97.6	Very high	98.1	Very high	70 Å²	70	43.7 Å²	43.7	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-56.4	-39.7	175.2	-26.9	36.2	0	0	0	113.3	S179 L186 T187	S179-P183 VanDerWaalsContact O-CD 3.24Å; S179-P183 WeakPolarHBondContact O-CD 3.45Å; S179-P183 WeakPolarHBondContact O-CG 3.46Å; P183-L186 PolarHBondContact O-N 2.98Å; P183-T187 WeakPolarHBondContact O-CB 3.32Å; P183-T187 WeakPolarHBondContact O-CG2 3.36Å; P183-T187 PolarHBondContact O-N 3.32Å; P183-T187 VanDerWaalsContact O-N 3.08Å; P183-T187 PolarHBondContact O-OG1 3.13Å
184	K	97.6	Very high	98.1	Very high	53 Å²	53	43.6 Å²	43.6	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-68.2	-43	176.4	-173.3	172.2	172.8	72.1	0	111.7	L132 S133 I135 I181 L182 L186 T187 Q188	L132-K184 WeakPolarHBondContact O-CE 3.31Å; L132-K184 PolarHBondContact O-NZ 3.26Å; S133-K184 WeakPolarHBondContact O-CE 3.46Å; S133-K184 PolarHBondContact O-NZ 2.89Å; I135-K184 HydrophobicContact CD1-CD 3.86Å; I135-K184 HydrophobicContact CG1-CD 4.32Å; I181-K184 WeakPolarHBondContact O-CB 3.41Å; I181-K184 PolarHBondContact O-N 2.83Å; I181-K184 VanDerWaalsContact O-N 3.09Å; L182-K184 VanDerWaalsContact C-N 3.27Å; L182-K184 PolarHBondContact O-N 3.34Å; K184-L186 VanDerWaalsContact C-N 3.28Å; K184-L186 PolarHBondContact O-N 2.78Å; K184-T187 WeakPolarHBondContact CA-OG1 3.38Å; K184-T187 PolarHBondContact O-N 3.07Å; K184-T187 PolarHBondContact O-OG1 3.16Å; K184-Q188 PolarHBondContact O-N 2.82Å; K184-Q188 PolarHBondContact O-OE1 2.73Å
185	M	98.5	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-38.9	173.6	-76.5	-180	167.3	0	0	112.6	I135 L138 I181 L182 Q188 P193 G194 I195 K234	I135-M185 HydrophobicContact CB-CE 4.3Å; I135-M185 HydrophobicContact CB-CG 4.31Å; I135-M185 HydrophobicContact CG2-CE 3.56Å; L138-M185 HydrophobicContact CB-CE 4.01Å; I181-M185 HydrophobicContact CG2-CE 3.55Å; I181-M185 HydrophobicContact CG2-CG 3.91Å; I181-M185 HydrophobicContact CG2-SD 3.8Å; I181-M185 PolarHBondContact O-N 3.43Å; L182-M185 HydrophobicContact CD1-CB 4.49Å; L182-M185 WeakPolarHBondContact O-CB 3.36Å; L182-M185 PolarHBondContact O-N 3.28Å; L182-M185 VanDerWaalsContact O-N 3.14Å; M185-Q188 WeakPolarHBondContact O-CG 3.21Å; M185-P193 HydrophobicContact CB-CB 3.8Å; M185-P193 HydrophobicContact CB-CG 3.73Å; M185-P193 HydrophobicContact CE-CB 4.4Å; M185-P193 HydrophobicContact CG-CB 3.75Å; M185-P193 HydrophobicContact CG-CG 4.26Å; M185-P193 HydrophobicContact SD-CB 3.88Å; M185-G194 VanDerWaalsContact CE-O 3.25Å; M185-G194 WeakPolarHBondContact CE-O 3.47Å; M185-I195 HydrophobicContact SD-CG1 4.16Å; M185-K234 PolarHBondContact O-NZ 3.03Å
186	L	98.1	Very high	98.1	Very high	51 Å²	51	40.9 Å²	40.9	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-72.1	-35.7	179.1	-68.3	176.6	0	0	0	112.4	L182 P183 K184 Y232 K234 V236	L182-L186 HydrophobicContact CD1-CD1 4.27Å; L182-L186 HydrophobicContact CD1-CD2 4.32Å; L182-L186 HydrophobicContact CD1-CG 3.99Å; L182-L186 HydrophobicContact CG-CD1 4.05Å; L182-L186 HydrophobicContact CG-CG 4.24Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.39Å; L182-L186 PolarHBondContact O-N 2.85Å; P183-L186 PolarHBondContact O-N 2.98Å; K184-L186 VanDerWaalsContact C-N 3.28Å; K184-L186 PolarHBondContact O-N 2.78Å; L186-Y232 HydrophobicContact CD1-CD1 3.74Å; L186-Y232 HydrophobicContact CD1-CE1 4.06Å; L186-Y232 HydrophobicContact CD1-CG 4.18Å; L186-Y232 HydrophobicContact CD2-CD1 4.16Å; L186-Y232 HydrophobicContact CD2-CD2 4.16Å; L186-Y232 HydrophobicContact CD2-CG 3.73Å; L186-K234 HydrophobicContact CD2-CB 4.38Å; L186-K234 WeakPolarHBondContact O-CE 3.49Å; L186-K234 PolarHBondContact O-NZ 3.46Å; L186-V236 HydrophobicContact CD2-CG2 3.62Å
187	T	97	Very high	98.1	Very high	117 Å²	117	39.5 Å²	39.5	72%	0.718	21%	0.214	S	C	*	.	H	α-helix	trans	-90	-21.3	-174.3	51.9	0	0	0	0	115.1	P183 K184	P183-T187 WeakPolarHBondContact O-CB 3.32Å; P183-T187 WeakPolarHBondContact O-CG2 3.36Å; P183-T187 PolarHBondContact O-N 3.32Å; P183-T187 VanDerWaalsContact O-N 3.08Å; P183-T187 PolarHBondContact O-OG1 3.13Å; K184-T187 WeakPolarHBondContact CA-OG1 3.38Å; K184-T187 PolarHBondContact O-N 3.07Å; K184-T187 PolarHBondContact O-OG1 3.16Å
188	Q	97.6	Very high	98.1	Very high	21 Å²	21	39.9 Å²	39.9	10%	0.098	22%	0.216	C	C	.	.	S	Bend	trans	-63.3	164.9	175.2	73	-166.2	46.7	0	0	112.1	A56 T134 I135 K184 M185 E190 K234	A56-Q188 PolarHBondContact O-NE2 3.1Å; T134-Q188 HydrophobicContact CG2-CB 4.15Å; I135-Q188 PolarHBondContact O-NE2 2.97Å; I135-Q188 PolarHBondContact O-OE1 3.4Å; K184-Q188 PolarHBondContact O-N 2.82Å; K184-Q188 PolarHBondContact O-OE1 2.73Å; M185-Q188 WeakPolarHBondContact O-CG 3.21Å; Q188-E190 HydrophobicContact CG-CB 4.44Å; Q188-K234 PolarHBondContact O-NZ 3.36Å
189	K	97.9	Very high	98.1	Very high	205 Å²	205	39.8 Å²	39.8	89%	0.891	22%	0.216	S	C	*	.	S	Bend	trans	-79.9	-27.8	-177.3	-68.6	-178.9	-179.5	177.3	0	112.8
190	E	98.1	Very high	98.1	Very high	56 Å²	56	36.5 Å²	36.5	26%	0.262	19%	0.193	S	C	.	.	S	Bend	trans	-67.1	141.9	-174.6	-66.7	71	-160.1	0	0	111.3	K55 A56 T134 Q188 K234	K55-E190 WeakPolarHBondContact O-CB 3.11Å; A56-E190 VanDerWaalsContact C-CB 3.45Å; A56-E190 VanDerWaalsContact O-CB 3.23Å; A56-E190 WeakPolarHBondContact O-CB 3.4Å; T134-E190 WeakPolarHBondContact CG2-OE2 3.39Å; Q188-E190 HydrophobicContact CG-CB 4.44Å; E190-K234 WeakPolarHBondContact O-CE 3.25Å; E190-K234 PolarHBondContact O-NZ 3.36Å
191	P	96.7	Very high	98.1	Very high	67 Å²	67	35.5 Å²	35.5	44%	0.435	19%	0.187	S	C	.	.	S	Bend	trans	-87.3	158.7	-176.1	35.6	-38	0	0	0	112.6	K55 A56	K55-P191 WeakPolarHBondContact O-CD 3.45Å; A56-P191 WeakPolarHBondContact CA-O 3.35Å; A56-P191 WeakPolarHBondContact CB-O 3.23Å
192	N	96.9	Very high	98	Very high	57 Å²	57	36 Å²	36	31%	0.305	19%	0.191	S	C	.	.			trans	58.6	44.3	164.9	-53.5	-53.2	0	0	0	117.2	A56 N235 N237	A56-N192 WeakPolarHBondContact CB-O 3.36Å; N192-N235 VanDerWaalsContact CA-O 3.27Å; N192-N235 WeakPolarHBondContact CA-O 3.49Å; N192-N235 WeakPolarHBondContact OD1-CB 3.44Å; N192-N235 PolarHBondContact OD1-ND2 3Å; N192-N237 PolarHBondContact O-ND2 2.99Å
193	P	98.3	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.			trans	-60.9	159.6	172.5	30.6	-36.6	0	0	0	111.6	A136 M185 K234 V236 N237	A136-P193 CarbonylContact O-C 3.52Å; A136-P193 WeakPolarHBondContact O-CA 3.33Å; M185-P193 HydrophobicContact CB-CB 3.8Å; M185-P193 HydrophobicContact CB-CG 3.73Å; M185-P193 HydrophobicContact CE-CB 4.4Å; M185-P193 HydrophobicContact CG-CB 3.75Å; M185-P193 HydrophobicContact CG-CG 4.26Å; M185-P193 HydrophobicContact SD-CB 3.88Å; P193-K234 HydrophobicContact CG-CD 4.07Å; P193-V236 HydrophobicContact CG-CG2 4.31Å; P193-V236 WeakPolarHBondContact O-CA 3.46Å; P193-N237 PolarHBondContact O-N 3.1Å
194	G	98.3	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.2	-171.7	0	0	0	0	0	114.9	A136 C137 L138 M185 N237 Y274	A136-G194 PolarHBondContact O-N 3.43Å; C137-G194 CarbonylContact C-O 3.59Å; C137-G194 VanDerWaalsContact CA-O 3.24Å; C137-G194 WeakPolarHBondContact CA-O 3.3Å; L138-G194 PolarHBondContact N-O 2.87Å; M185-G194 VanDerWaalsContact CE-O 3.25Å; M185-G194 WeakPolarHBondContact CE-O 3.47Å; G194-N237 CarbonylContact C-O 3.52Å; G194-N237 VanDerWaalsContact CA-O 3.27Å; G194-N237 WeakPolarHBondContact CA-O 3.48Å; G194-Y274 WeakPolarHBondContact CA-OH 3.33Å
195	I	98.9	Very high	97.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.4	165.4	-56	-177.4	0	0	0	108.3	L138 T178 L182 M185 N197 L227 N237 I238 Q239	L138-I195 HydrophobicContact CB-CG1 4.37Å; L138-I195 HydrophobicContact CD2-CG2 4.34Å; L138-I195 HydrophobicContact CG-CG2 4.46Å; L138-I195 CarbonylContact O-C 3.52Å; L138-I195 WeakPolarHBondContact O-CA 2.91Å; T178-I195 HydrophobicContact CG2-CD1 3.62Å; L182-I195 HydrophobicContact CD1-CD1 4.33Å; M185-I195 HydrophobicContact SD-CG1 4.16Å; I195-N197 WeakPolarHBondContact CG2-OD1 3.35Å; I195-L227 HydrophobicContact CD1-CD2 4.23Å; I195-N237 PolarHBondContact N-O 3.46Å; I195-I238 HydrophobicContact CB-CD1 3.77Å; I195-I238 HydrophobicContact CD1-CD1 3.94Å; I195-I238 HydrophobicContact CG1-CD1 3.97Å; I195-Q239 PolarHBondContact O-N 2.84Å
196	I	98.9	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.3	177.1	-57.6	175.2	0	0	0	107.9	Y73 L138 V139 N140 I198 Q239 L241 L271 Y274	Y73-I196 HydrophobicContact CE1-CD1 3.97Å; Y73-I196 HydrophobicContact CE1-CG2 4.31Å; L138-I196 PolarHBondContact O-N 2.98Å; V139-I196 CarbonylContact C-O 3.51Å; V139-I196 WeakPolarHBondContact CA-O 3.21Å; V139-I196 HydrophobicContact CG2-CB 4.38Å; V139-I196 HydrophobicContact CG2-CD1 4.46Å; N140-I196 PolarHBondContact N-O 2.61Å; I196-I198 HydrophobicContact CG2-CD1 4.1Å; I196-Q239 CarbonylContact C-O 3.56Å; I196-Q239 WeakPolarHBondContact CA-O 3.18Å; I196-L241 HydrophobicContact CG2-CD1 3.86Å; I196-L241 HydrophobicContact CG2-CG 4.41Å; I196-L271 HydrophobicContact CD1-CD1 3.97Å; I196-Y274 HydrophobicContact CD1-CD2 3.84Å; I196-Y274 HydrophobicContact CD1-CE2 4.25Å; I196-Y274 HydrophobicContact CG1-CD2 3.97Å; I196-Y274 HydrophobicContact CG1-CE2 4.09Å
197	N	98.9	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.4	-179.8	-65.9	-30.5	0	0	0	110.1	N140 I195 A199 I220 S224 Q239 T240 L241	N140-N197 VanDerWaalsContact CB-OD1 3.29Å; N140-N197 WeakPolarHBondContact CB-OD1 3.44Å; N140-N197 PolarHBondContact ND2-OD1 3.16Å; I195-N197 WeakPolarHBondContact CG2-OD1 3.35Å; N197-A199 PolarHBondContact O-N 2.99Å; N197-I220 HydrophobicContact CB-CG2 3.81Å; N197-S224 PolarHBondContact ND2-OG 3.37Å; N197-Q239 PolarHBondContact N-O 3.36Å; N197-T240 WeakPolarHBondContact O-CA 3.48Å; N197-L241 PolarHBondContact O-N 3.08Å
198	I	98.8	Very high	97.5	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	101.3	176.4	-49.1	-56.1	0	0	0	109.4	Y73 N140 N141 I196 K217 L241 P243	Y73-I198 HydrophobicContact CE2-CD1 4.18Å; N140-I198 PolarHBondContact O-N 3.44Å; N141-I198 HydrophobicContact CB-CB 4.44Å; N141-I198 HydrophobicContact CB-CG1 3.72Å; I196-I198 HydrophobicContact CG2-CD1 4.1Å; I198-K217 PolarHBondContact O-NZ 2.92Å; I198-L241 HydrophobicContact CD1-CB 4.1Å; I198-L241 HydrophobicContact CD1-CD1 3.66Å; I198-L241 HydrophobicContact CD1-CG 4.38Å; I198-P243 HydrophobicContact CG2-CG 4.36Å
199	A	98.6	Very high	97.3	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	18%	0.177	C	C	.	.			trans	-88.1	-139.8	172.3	0	0	0	0	0	110.6	N197 I220 I221 T240 L241	N197-A199 PolarHBondContact O-N 2.99Å; A199-I220 HydrophobicContact CB-CG2 4.36Å; A199-I221 HydrophobicContact CB-CD1 4.25Å; A199-I221 HydrophobicContact CB-CG1 3.74Å; A199-T240 HydrophobicContact CB-CG2 3.84Å; A199-L241 CarbonylContact C-O 3.55Å; A199-L241 WeakPolarHBondContact CA-O 3.39Å; A199-L241 WeakPolarHBondContact CB-O 3.3Å; A199-L241 PolarHBondContact N-O 3.38Å
200	S	98.4	Very high	97.2	Very high	15 Å²	15	25.9 Å²	25.9	11%	0.105	14%	0.142	C	C	.	.			trans	-160.1	148.8	174.9	174.6	0	0	0	0	109.5	S202 A203	S200-S202 PolarHBondContact O-N 3.41Å; S200-S202 PolarHBondContact OG-N 2.66Å; S200-S202 VanDerWaalsContact OG-N 3.1Å; S200-S202 PolarHBondContact OG-OG 2.99Å; S200-S202 VanDerWaalsContact OG-OG 3.11Å; S200-A203 WeakPolarHBondContact O-CB 3.27Å; S200-A203 PolarHBondContact O-N 3.17Å
201	Y	98.2	Very high	97.1	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.035	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-58.6	-28	169	179.3	-99.6	0	0	0	112.3	A203 L204 R205 P243 L244 A290 F293 N294 W301	Y201-A203 PolarHBondContact O-N 2.96Å; Y201-L204 HydrophobicContact CD2-CD1 4.22Å; Y201-L204 WeakPolarHBondContact O-CB 3.26Å; Y201-L204 PolarHBondContact O-N 3.13Å; Y201-R205 HydrophobicContact CE1-CG 3.96Å; Y201-R205 HydrophobicContact CE2-CG 4.49Å; Y201-R205 PolarHBondContact OH-NH1 3.29Å; Y201-P243 WeakPolarHBondContact CB-O 3.21Å; Y201-P243 PolarHBondContact N-O 2.75Å; Y201-L244 HydrophobicContact CD1-CD2 4.17Å; Y201-L244 HydrophobicContact CD1-CG 4.07Å; Y201-L244 HydrophobicContact CD2-CD1 4.18Å; Y201-L244 HydrophobicContact CD2-CG 4.5Å; Y201-L244 HydrophobicContact CG-CD1 4.01Å; Y201-L244 HydrophobicContact CG-CD2 4.38Å; Y201-L244 HydrophobicContact CG-CG 3.86Å; Y201-A290 HydrophobicContact CD2-CB 3.91Å; Y201-A290 HydrophobicContact CE2-CB 3.53Å; Y201-F293 HydrophobicContact CE1-CB 4.44Å; Y201-F293 AromaticContact CE1-CD2 3.97Å; Y201-F293 HydrophobicContact CE1-CD2 3.97Å; Y201-F293 WeakPolarHBondContact OH-CB 3.48Å; Y201-N294 PolarHBondContact OH-OD1 3.38Å; Y201-W301 HydrophobicContact CD1-CH2 4.4Å; Y201-W301 AromaticContact CE1-CH2 3.7Å; Y201-W301 HydrophobicContact CE1-CH2 3.7Å; Y201-W301 AromaticContact CE1-CZ2 3.97Å; Y201-W301 HydrophobicContact CE1-CZ2 3.97Å; Y201-W301 HydrophobicContact CE1-CZ3 4.41Å
202	S	97.1	Very high	97.2	Very high	11 Å²	11	24.2 Å²	24.2	8%	0.077	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-64.2	-19.7	176.4	77.1	0	0	0	0	113	S200 L204 T207 S214	S200-S202 PolarHBondContact O-N 3.41Å; S200-S202 PolarHBondContact OG-N 2.66Å; S200-S202 VanDerWaalsContact OG-N 3.1Å; S200-S202 PolarHBondContact OG-OG 2.99Å; S200-S202 VanDerWaalsContact OG-OG 3.11Å; S202-L204 VanDerWaalsContact C-N 3.26Å; S202-L204 PolarHBondContact O-N 3.13Å; S202-T207 PolarHBondContact O-OG1 2.81Å; S202-S214 VanDerWaalsContact CB-OG 3.32Å; S202-S214 WeakPolarHBondContact CB-OG 3.39Å; S202-S214 WeakPolarHBondContact O-CB 3.29Å; S202-S214 PolarHBondContact OG-OG 2.66Å
203	A	97.7	Very high	97.2	Very high	13 Å²	13	23.5 Å²	23.5	11%	0.107	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-73.8	-16.1	174.5	0	0	0	0	0	113.8	S200 Y201 K217 S218 I221	S200-A203 WeakPolarHBondContact O-CB 3.27Å; S200-A203 PolarHBondContact O-N 3.17Å; Y201-A203 PolarHBondContact O-N 2.96Å; A203-K217 VanDerWaalsContact CB-C 3.47Å; A203-K217 HydrophobicContact CB-CB 3.73Å; A203-S218 WeakPolarHBondContact CA-OG 3.14Å; A203-S218 WeakPolarHBondContact CB-OG 3.49Å; A203-S218 PolarHBondContact O-OG 2.88Å; A203-I221 HydrophobicContact CB-CD1 3.52Å; A203-I221 HydrophobicContact CB-CG1 4.48Å
204	L	97.3	Very high	97.2	Very high	74 Å²	74	23.9 Å²	23.9	39%	0.387	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-95.5	-9.8	-179	-62.4	174.2	0	0	0	112.5	Y201 S202 I221 C242	Y201-L204 HydrophobicContact CD2-CD1 4.22Å; Y201-L204 WeakPolarHBondContact O-CB 3.26Å; Y201-L204 PolarHBondContact O-N 3.13Å; S202-L204 VanDerWaalsContact C-N 3.26Å; S202-L204 PolarHBondContact O-N 3.13Å; L204-I221 HydrophobicContact CD2-CD1 3.67Å; L204-I221 HydrophobicContact CG-CD1 4.09Å; L204-C242 HydrophobicContact CD1-CB 3.97Å
205	R	95.1	Very high	97.2	Very high	37 Å²	37	27.3 Å²	27.3	14%	0.14	16%	0.155	C	C	.	.	S	Bend	trans	-139.9	150.3	-172.9	-60.6	-61	-67.8	-89.3	4	111.5	Y201 T207 F293 N294 L296 W301	Y201-R205 HydrophobicContact CE1-CG 3.96Å; Y201-R205 HydrophobicContact CE2-CG 4.49Å; Y201-R205 PolarHBondContact OH-NH1 3.29Å; R205-T207 PolarHBondContact O-N 3.32Å; R205-T207 PolarHBondContact O-OG1 3.31Å; R205-F293 PolarHBondContact NH1-O 3.35Å; R205-F293 PolarHBondContact NH2-O 3.31Å; R205-N294 VanDerWaalsContact NH1-CA 3.26Å; R205-N294 PolarHBondContact NH1-OD1 3.48Å; R205-L296 PolarHBondContact NH2-O 3.33Å; R205-W301 HydrophobicContact CB-CZ2 4.27Å
206	V	95.8	Very high	97.2	Very high	84 Å²	84	27.5 Å²	27.5	51%	0.509	16%	0.156	S	C	.	.			trans	-60.6	113.6	171.1	-178.3	0	0	0	0	109.1	T298 W301 I302	V206-T298 HydrophobicContact CB-CG2 4.41Å; V206-T298 HydrophobicContact CG2-CG2 4.24Å; V206-W301 PolarHBondContact O-NE1 3.08Å; V206-I302 HydrophobicContact CB-CD1 4.34Å; V206-I302 HydrophobicContact CB-CG1 4.42Å; V206-I302 HydrophobicContact CG1-CD1 3.85Å; V206-I302 HydrophobicContact CG1-CG1 4.12Å
207	T	95.1	Very high	97.2	Very high	18 Å²	18	27.9 Å²	27.9	11%	0.11	16%	0.157	C	C	.	.			trans	-127.2	90.9	-173.7	-51.3	0	0	0	0	110.1	S202 R205 L210 T305	S202-T207 PolarHBondContact O-OG1 2.81Å; R205-T207 PolarHBondContact O-N 3.32Å; R205-T207 PolarHBondContact O-OG1 3.31Å; T207-L210 HydrophobicContact CG2-CB 4.06Å; T207-L210 HydrophobicContact CG2-CD1 3.83Å; T207-L210 HydrophobicContact CG2-CG 4.36Å; T207-L210 PolarHBondContact O-N 3.01Å; T207-T305 HydrophobicContact CG2-CG2 4.11Å
208	P	94.4	Very high	97.2	Very high	20 Å²	20	30 Å²	30	13%	0.13	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	153.6	175.5	-24.7	33.1	0	0	0	112.4	L210 I302 Y306	P208-L210 PolarHBondContact O-N 2.91Å; P208-I302 HydrophobicContact CG-CG1 4.41Å; P208-I302 HydrophobicContact CG-CG2 4.15Å; P208-Y306 HydrophobicContact CB-CE1 4.29Å; P208-Y306 HydrophobicContact CG-CE2 4.2Å
209	Y	94.3	Very high	97.2	Very high	43 Å²	43	31.4 Å²	31.4	17%	0.169	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	-2.9	-176.2	-47.3	-83.5	0	0	0	115.8	L150 Y306 V309	L150-Y209 HydrophobicContact CD2-CD1 4.37Å; L150-Y209 HydrophobicContact CD2-CE1 3.8Å; L150-Y209 HydrophobicContact CG-CE1 4.23Å; Y209-Y306 AromaticContact CE2-CD1 3.29Å; Y209-Y306 HydrophobicContact CE2-CD1 3.29Å; Y209-Y306 AromaticContact CE2-CE1 3.44Å; Y209-Y306 HydrophobicContact CE2-CE1 3.44Å; Y209-Y306 VanDerWaalsContact CE2-CE1 3.44Å; Y209-Y306 HydrophobicContact CE2-CG 4.27Å; Y209-Y306 AromaticContact CZ-CD1 3.61Å; Y209-Y306 AromaticContact CZ-CE1 3.55Å; Y209-Y306 WeakPolarHBondContact OH-CD1 3.44Å; Y209-Y306 WeakPolarHBondContact OH-CE1 3.3Å; Y209-V309 HydrophobicContact CD1-CG1 4.1Å; Y209-V309 HydrophobicContact CD2-CB 3.82Å; Y209-V309 HydrophobicContact CD2-CG1 3.8Å; Y209-V309 HydrophobicContact CD2-CG2 3.65Å; Y209-V309 HydrophobicContact CE1-CG1 4.36Å; Y209-V309 HydrophobicContact CE2-CB 4.03Å; Y209-V309 HydrophobicContact CE2-CG1 4.05Å; Y209-V309 HydrophobicContact CE2-CG2 4.32Å; Y209-V309 HydrophobicContact CG-CB 4.3Å; Y209-V309 HydrophobicContact CG-CG1 3.8Å; Y209-V309 HydrophobicContact CG-CG2 4.12Å
210	L	95.5	Very high	97.2	Very high	30 Å²	30	31.5 Å²	31.5	16%	0.157	19%	0.185	C	C	.	.			trans	-123.1	33.3	171.8	-70.8	178.7	0	0	0	110	F148 T207 P208 V212 Y213 S214	F148-L210 HydrophobicContact CD1-CD2 3.83Å; F148-L210 HydrophobicContact CD1-CG 4Å; F148-L210 HydrophobicContact CE1-CD1 3.83Å; F148-L210 HydrophobicContact CE1-CD2 3.45Å; F148-L210 VanDerWaalsContact CE1-CD2 3.45Å; F148-L210 HydrophobicContact CE1-CG 3.66Å; F148-L210 HydrophobicContact CZ-CD2 4.15Å; T207-L210 HydrophobicContact CG2-CB 4.06Å; T207-L210 HydrophobicContact CG2-CD1 3.83Å; T207-L210 HydrophobicContact CG2-CG 4.36Å; T207-L210 PolarHBondContact O-N 3.01Å; P208-L210 PolarHBondContact O-N 2.91Å; L210-V212 PolarHBondContact O-N 3.33Å; L210-Y213 HydrophobicContact CD1-CD1 4.45Å; L210-Y213 HydrophobicContact CD2-CD1 4.35Å; L210-Y213 HydrophobicContact CD2-CG 4.42Å; L210-Y213 PolarHBondContact O-N 3.28Å; L210-S214 WeakPolarHBondContact CB-OG 3.33Å; L210-S214 WeakPolarHBondContact O-CB 3.11Å; L210-S214 PolarHBondContact O-N 3.14Å; L210-S214 PolarHBondContact O-OG 3.17Å
211	T	96.4	Very high	97.2	Very high	67 Å²	67	31.3 Å²	31.3	41%	0.411	18%	0.183	S	C	.	.	H	α-helix	trans	-54.2	-56.6	-172.7	-55	0	0	0	0	111.5	S215	T211-S215 WeakPolarHBondContact O-CB 3.45Å; T211-S215 PolarHBondContact O-N 3Å; T211-S215 PolarHBondContact O-OG 3.36Å
212	V	97.8	Very high	97.3	Very high	21 Å²	21	35.8 Å²	35.8	13%	0.127	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-48.2	-178.7	-172.4	0	0	0	0	110.6	L146 F151 I166 L210 S214 S215 T216	L146-V212 HydrophobicContact CD1-CB 4.24Å; L146-V212 HydrophobicContact CD1-CG2 4.43Å; F151-V212 HydrophobicContact CD2-CG2 3.91Å; F151-V212 HydrophobicContact CE2-CG2 3.77Å; I166-V212 HydrophobicContact CG2-CB 4.44Å; I166-V212 HydrophobicContact CG2-CG1 3.43Å; I166-V212 VanDerWaalsContact CG2-CG1 3.43Å; L210-V212 PolarHBondContact O-N 3.33Å; V212-S214 PolarHBondContact O-N 3.47Å; V212-S215 WeakPolarHBondContact O-CB 3.43Å; V212-S215 PolarHBondContact O-N 2.87Å; V212-T216 HydrophobicContact CG1-CG2 4.35Å; V212-T216 WeakPolarHBondContact O-CG2 3.34Å; V212-T216 PolarHBondContact O-N 2.82Å
213	Y	98.2	Very high	97.4	Very high	41 Å²	41	37.7 Å²	37.7	16%	0.161	21%	0.211	C	C	.	.	H	α-helix	trans	-54.1	-52.6	179.4	176.3	-93.5	0	0	0	112.6	M144 I166 L210 S215 T216 K217	M144-Y213 VanDerWaalsContact O-CD2 3.28Å; M144-Y213 WeakPolarHBondContact O-CD2 3.34Å; I166-Y213 HydrophobicContact CD1-CD2 4.27Å; L210-Y213 HydrophobicContact CD1-CD1 4.45Å; L210-Y213 HydrophobicContact CD2-CD1 4.35Å; L210-Y213 HydrophobicContact CD2-CG 4.42Å; L210-Y213 PolarHBondContact O-N 3.28Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.23Å; Y213-T216 PolarHBondContact O-N 3.36Å; Y213-T216 PolarHBondContact O-OG1 2.81Å; Y213-K217 HydrophobicContact CE1-CG 4.03Å; Y213-K217 HydrophobicContact CE2-CG 4.31Å; Y213-K217 PolarHBondContact O-N 3.38Å
214	S	98.2	Very high	97.4	Very high	9 Å²	9	37 Å²	37	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-40.1	-179.1	-55.5	0	0	0	0	111.1	S202 L210 V212 T216 K217 S218	S202-S214 VanDerWaalsContact CB-OG 3.32Å; S202-S214 WeakPolarHBondContact CB-OG 3.39Å; S202-S214 WeakPolarHBondContact O-CB 3.29Å; S202-S214 PolarHBondContact OG-OG 2.66Å; L210-S214 WeakPolarHBondContact CB-OG 3.33Å; L210-S214 WeakPolarHBondContact O-CB 3.11Å; L210-S214 PolarHBondContact O-N 3.14Å; L210-S214 PolarHBondContact O-OG 3.17Å; V212-S214 PolarHBondContact O-N 3.47Å; S214-T216 PolarHBondContact O-N 3.27Å; S214-K217 PolarHBondContact O-N 3.09Å; S214-S218 PolarHBondContact O-N 3.14Å; S214-S218 PolarHBondContact O-OG 2.77Å; S214-S218 VanDerWaalsContact O-OG 3.06Å
215	S	98.6	Very high	97.5	Very high	72 Å²	72	40.1 Å²	40.1	50%	0.503	21%	0.212	S	C	.	.	H	α-helix	trans	-60.3	-44.3	175.1	-57.9	0	0	0	0	112.1	T211 V212 Y213 K217 S218 A219	T211-S215 WeakPolarHBondContact O-CB 3.45Å; T211-S215 PolarHBondContact O-N 3Å; T211-S215 PolarHBondContact O-OG 3.36Å; V212-S215 WeakPolarHBondContact O-CB 3.43Å; V212-S215 PolarHBondContact O-N 2.87Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.23Å; S215-K217 VanDerWaalsContact C-N 3.34Å; S215-K217 PolarHBondContact O-N 3.4Å; S215-S218 PolarHBondContact O-N 2.95Å; S215-A219 PolarHBondContact O-N 2.84Å
216	T	98.8	Very high	97.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-41.3	176.1	64.4	0	0	0	0	112	I166 I167 N170 I171 V212 Y213 S214 A219 I220	I166-T216 HydrophobicContact CG1-CG2 4.37Å; I167-T216 HydrophobicContact CG1-CG2 4.39Å; N170-T216 HydrophobicContact CB-CG2 4.13Å; N170-T216 WeakPolarHBondContact CB-OG1 3.08Å; N170-T216 PolarHBondContact ND2-OG1 3.23Å; I171-T216 HydrophobicContact CD1-CG2 3.92Å; I171-T216 HydrophobicContact CG1-CG2 3.92Å; V212-T216 HydrophobicContact CG1-CG2 4.35Å; V212-T216 WeakPolarHBondContact O-CG2 3.34Å; V212-T216 PolarHBondContact O-N 2.82Å; Y213-T216 PolarHBondContact O-N 3.36Å; Y213-T216 PolarHBondContact O-OG1 2.81Å; S214-T216 PolarHBondContact O-N 3.27Å; T216-A219 WeakPolarHBondContact O-CB 3.42Å; T216-A219 PolarHBondContact O-N 2.9Å; T216-I220 PolarHBondContact O-N 3.46Å; T216-I220 VanDerWaalsContact O-N 3.16Å
217	K	98.7	Very high	97.8	Very high	8 Å²	8	38 Å²	38	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-71.5	-28.7	177.5	-64.8	-49.6	-160.9	171.7	0	112.3	I198 A203 Y213 S214 S215 I220 I221	I198-K217 PolarHBondContact O-NZ 2.92Å; A203-K217 VanDerWaalsContact CB-C 3.47Å; A203-K217 HydrophobicContact CB-CB 3.73Å; Y213-K217 HydrophobicContact CE1-CG 4.03Å; Y213-K217 HydrophobicContact CE2-CG 4.31Å; Y213-K217 PolarHBondContact O-N 3.38Å; S214-K217 PolarHBondContact O-N 3.09Å; S215-K217 VanDerWaalsContact C-N 3.34Å; S215-K217 PolarHBondContact O-N 3.4Å; K217-I220 PolarHBondContact O-N 3.23Å; K217-I221 WeakPolarHBondContact O-CG1 3.38Å; K217-I221 PolarHBondContact O-N 2.95Å; K217-I221 VanDerWaalsContact O-N 3.1Å
218	S	98.8	Very high	97.9	Very high	46 Å²	46	38.8 Å²	38.8	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-67	-38.4	170.2	-59.5	0	0	0	0	111.7	A203 S214 S215 I220 I221 Q222	A203-S218 WeakPolarHBondContact CA-OG 3.14Å; A203-S218 WeakPolarHBondContact CB-OG 3.49Å; A203-S218 PolarHBondContact O-OG 2.88Å; S214-S218 PolarHBondContact O-N 3.14Å; S214-S218 PolarHBondContact O-OG 2.77Å; S214-S218 VanDerWaalsContact O-OG 3.06Å; S215-S218 PolarHBondContact O-N 2.95Å; S218-I220 VanDerWaalsContact C-N 3.3Å; S218-I220 PolarHBondContact O-N 2.85Å; S218-I221 WeakPolarHBondContact O-CB 3.46Å; S218-I221 PolarHBondContact O-N 3.13Å; S218-Q222 PolarHBondContact O-N 3Å
219	A	98.8	Very high	98.1	Very high	37 Å²	37	41.6 Å²	41.6	31%	0.306	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-42	172.9	0	0	0	0	0	111.3	I171 S215 T216 I221 Q222 F223	I171-A219 HydrophobicContact CD1-CB 3.82Å; I171-A219 HydrophobicContact CG1-CB 4.23Å; S215-A219 PolarHBondContact O-N 2.84Å; T216-A219 WeakPolarHBondContact O-CB 3.42Å; T216-A219 PolarHBondContact O-N 2.9Å; A219-I221 PolarHBondContact O-N 2.66Å; A219-Q222 PolarHBondContact O-N 3.23Å; A219-F223 VanDerWaalsContact O-CB 3.25Å; A219-F223 WeakPolarHBondContact O-CB 3.47Å; A219-F223 PolarHBondContact O-N 2.93Å
220	I	98.8	Very high	98.2	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-41	174.4	-64.3	-50.2	0	0	0	112.4	N170 A174 N197 A199 T216 K217 S218 S224	N170-I220 WeakPolarHBondContact O-CD1 3.47Å; N170-I220 WeakPolarHBondContact O-CG1 3.32Å; A174-I220 HydrophobicContact CB-CD1 3.49Å; A174-I220 VanDerWaalsContact CB-CD1 3.49Å; N197-I220 HydrophobicContact CB-CG2 3.81Å; A199-I220 HydrophobicContact CB-CG2 4.36Å; T216-I220 PolarHBondContact O-N 3.46Å; T216-I220 VanDerWaalsContact O-N 3.16Å; K217-I220 PolarHBondContact O-N 3.23Å; S218-I220 VanDerWaalsContact C-N 3.3Å; S218-I220 PolarHBondContact O-N 2.85Å; I220-S224 WeakPolarHBondContact O-CB 3.35Å; I220-S224 PolarHBondContact O-N 3.4Å; I220-S224 PolarHBondContact O-OG 3.19Å
221	I	98.8	Very high	98.1	Very high	10 Å²	10	53 Å²	53	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-51.4	175	-69.4	173.8	0	0	0	110.3	A199 A203 L204 K217 S218 A219 S224 R225 T240 Q279	A199-I221 HydrophobicContact CB-CD1 4.25Å; A199-I221 HydrophobicContact CB-CG1 3.74Å; A203-I221 HydrophobicContact CB-CD1 3.52Å; A203-I221 HydrophobicContact CB-CG1 4.48Å; L204-I221 HydrophobicContact CD2-CD1 3.67Å; L204-I221 HydrophobicContact CG-CD1 4.09Å; K217-I221 WeakPolarHBondContact O-CG1 3.38Å; K217-I221 PolarHBondContact O-N 2.95Å; K217-I221 VanDerWaalsContact O-N 3.1Å; S218-I221 WeakPolarHBondContact O-CB 3.46Å; S218-I221 PolarHBondContact O-N 3.13Å; A219-I221 PolarHBondContact O-N 2.66Å; I221-S224 PolarHBondContact O-N 3.08Å; I221-R225 HydrophobicContact CG2-CG 4.47Å; I221-R225 WeakPolarHBondContact O-CG 3.24Å; I221-R225 PolarHBondContact O-N 2.77Å; I221-T240 HydrophobicContact CG1-CG2 3.97Å; I221-Q279 VanDerWaalsContact CG2-OE1 3.24Å
222	Q	98.8	Very high	98	Very high	103 Å²	103	53 Å²	53	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-43.1	-177	-172.5	61.7	14.7	0	0	112.1	S218 A219 S224 R225 C226	S218-Q222 PolarHBondContact O-N 3Å; A219-Q222 PolarHBondContact O-N 3.23Å; Q222-S224 VanDerWaalsContact C-N 3.29Å; Q222-S224 PolarHBondContact O-N 3.25Å; Q222-R225 PolarHBondContact O-N 3.34Å; Q222-R225 VanDerWaalsContact O-N 3.16Å; Q222-C226 PolarHBondContact O-N 2.58Å; Q222-C226 PolarHBondContact O-SG 2.95Å; Q222-C226 VanDerWaalsContact O-SG 3.36Å
223	F	98.8	Very high	97.8	Very high	51 Å²	51	62.2 Å²	62.2	22%	0.224	32%	0.324	C	S	.	.	H	α-helix	trans	-52.7	-48.5	172.9	170.5	-107.6	0	0	0	111.2	V175 T178 A219 R225 C226 L227	V175-F223 HydrophobicContact CB-CE2 4.48Å; V175-F223 HydrophobicContact CG1-CE2 4.19Å; V175-F223 HydrophobicContact CG2-CD1 4.41Å; V175-F223 HydrophobicContact CG2-CD2 4.01Å; V175-F223 HydrophobicContact CG2-CE1 4.45Å; V175-F223 HydrophobicContact CG2-CE2 4.05Å; V175-F223 HydrophobicContact CG2-CG 4.19Å; V175-F223 HydrophobicContact CG2-CZ 4.27Å; T178-F223 HydrophobicContact CG2-CE1 4.29Å; T178-F223 HydrophobicContact CG2-CZ 3.84Å; A219-F223 VanDerWaalsContact O-CB 3.25Å; A219-F223 WeakPolarHBondContact O-CB 3.47Å; A219-F223 PolarHBondContact O-N 2.93Å; F223-R225 PolarHBondContact O-N 3.46Å; F223-C226 PolarHBondContact O-N 3.22Å; F223-L227 HydrophobicContact CE1-CD2 4.21Å; F223-L227 HydrophobicContact CZ-CD2 4.11Å; F223-L227 VanDerWaalsContact O-CB 3.3Å; F223-L227 WeakPolarHBondContact O-CB 3.01Å; F223-L227 PolarHBondContact O-N 2.97Å
224	S	98.7	Very high	97.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65	-37.8	179.7	-52.9	0	0	0	0	112.7	N197 I220 I221 Q222 A228 T240	N197-S224 PolarHBondContact ND2-OG 3.37Å; I220-S224 WeakPolarHBondContact O-CB 3.35Å; I220-S224 PolarHBondContact O-N 3.4Å; I220-S224 PolarHBondContact O-OG 3.19Å; I221-S224 PolarHBondContact O-N 3.08Å; Q222-S224 VanDerWaalsContact C-N 3.29Å; Q222-S224 PolarHBondContact O-N 3.25Å; S224-A228 VanDerWaalsContact O-CB 3.26Å; S224-A228 WeakPolarHBondContact O-CB 3.26Å; S224-A228 PolarHBondContact O-N 3.3Å; S224-T240 WeakPolarHBondContact CB-OG1 3.34Å; S224-T240 PolarHBondContact OG-OG1 3.02Å; S224-T240 VanDerWaalsContact OG-OG1 3.13Å
225	R	98.6	Very high	97.5	Very high	139 Å²	139	65.4 Å²	65.4	53%	0.525	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-44.3	178.2	-71.2	174	80.8	178.3	7.2	111.7	I221 Q222 F223 A229	I221-R225 HydrophobicContact CG2-CG 4.47Å; I221-R225 WeakPolarHBondContact O-CG 3.24Å; I221-R225 PolarHBondContact O-N 2.77Å; Q222-R225 PolarHBondContact O-N 3.34Å; Q222-R225 VanDerWaalsContact O-N 3.16Å; F223-R225 PolarHBondContact O-N 3.46Å; R225-A229 PolarHBondContact O-N 3.25Å
226	C	98.6	Very high	97.4	Very high	64 Å²	64	62.8 Å²	62.8	43%	0.432	32%	0.323	S	S	.	.	H	α-helix	trans	-62	-50.1	175	-65.5	0	0	0	0	110.6	Q222 F223 A228 A229 E230	Q222-C226 PolarHBondContact O-N 2.58Å; Q222-C226 PolarHBondContact O-SG 2.95Å; Q222-C226 VanDerWaalsContact O-SG 3.36Å; F223-C226 PolarHBondContact O-N 3.22Å; C226-A228 VanDerWaalsContact C-N 3.32Å; C226-A228 PolarHBondContact O-N 3.46Å; C226-A229 WeakPolarHBondContact O-CB 3.07Å; C226-A229 PolarHBondContact O-N 2.74Å; C226-E230 PolarHBondContact O-N 3.19Å
227	L	98.3	Very high	97.4	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.063	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-40	-179.3	-173.1	67.6	0	0	0	112.7	T178 L182 I195 F223 A229 E230 Y232 I238	T178-L227 HydrophobicContact CG2-CD2 3.74Å; L182-L227 HydrophobicContact CD2-CD1 3.93Å; I195-L227 HydrophobicContact CD1-CD2 4.23Å; F223-L227 HydrophobicContact CE1-CD2 4.21Å; F223-L227 HydrophobicContact CZ-CD2 4.11Å; F223-L227 VanDerWaalsContact O-CB 3.3Å; F223-L227 WeakPolarHBondContact O-CB 3.01Å; F223-L227 PolarHBondContact O-N 2.97Å; L227-A229 VanDerWaalsContact C-N 3.25Å; L227-A229 PolarHBondContact O-N 3.26Å; L227-E230 PolarHBondContact O-N 2.91Å; L227-Y232 WeakPolarHBondContact CD1-OH 3.47Å; L227-I238 HydrophobicContact CD2-CD1 3.75Å; L227-I238 HydrophobicContact CD2-CG1 4.32Å; L227-I238 HydrophobicContact CG-CD1 4.1Å; L227-I238 HydrophobicContact CG-CG1 4.25Å
228	A	97.9	Very high	97.4	Very high	35 Å²	35	63.7 Å²	63.7	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-67.2	-24.3	177.3	0	0	0	0	0	113.8	S224 C226 I238 Q278	S224-A228 VanDerWaalsContact O-CB 3.26Å; S224-A228 WeakPolarHBondContact O-CB 3.26Å; S224-A228 PolarHBondContact O-N 3.3Å; C226-A228 VanDerWaalsContact C-N 3.32Å; C226-A228 PolarHBondContact O-N 3.46Å; A228-I238 HydrophobicContact CB-CB 3.82Å; A228-I238 HydrophobicContact CB-CG1 4.15Å; A228-I238 HydrophobicContact CB-CG2 4.23Å; A228-Q278 HydrophobicContact CB-CG 4.33Å
229	A	97.8	Very high	97.4	Very high	79 Å²	79	61.6 Å²	61.6	65%	0.653	31%	0.313	S	S	*	.	H	α-helix	trans	-84.6	-13.6	178.7	0	0	0	0	0	112.5	R225 C226 L227	R225-A229 PolarHBondContact O-N 3.25Å; C226-A229 WeakPolarHBondContact O-CB 3.07Å; C226-A229 PolarHBondContact O-N 2.74Å; L227-A229 VanDerWaalsContact C-N 3.25Å; L227-A229 PolarHBondContact O-N 3.26Å
230	E	97.4	Very high	97.4	Very high	104 Å²	104	59.9 Å²	59.9	49%	0.486	30%	0.298	S	S	.	.	S	Bend	trans	-70.6	133.8	174.7	-67.2	-178.8	-159.4	0	0	110.9	C226 L227 Y232	C226-E230 PolarHBondContact O-N 3.19Å; L227-E230 PolarHBondContact O-N 2.91Å; E230-Y232 HydrophobicContact CB-CE1 4.44Å; E230-Y232 HydrophobicContact CB-CE2 4.09Å; E230-Y232 PolarHBondContact OE2-OH 3.44Å
231	K	92.6	Very high	97.4	Very high	208 Å²	208	59.7 Å²	59.7	90%	0.904	30%	0.297	S	S	*	.			trans	-96.6	104.5	-179.7	-67	-173	179.7	-179.4	0	110.2
232	Y	94.5	Very high	97.4	Very high	66 Å²	66	59.3 Å²	59.3	26%	0.259	30%	0.295	S	S	.	.			trans	-91.3	160.4	168.8	-52.6	-69.2	0	0	0	111	L182 L186 L227 E230 K234 V236	L182-Y232 HydrophobicContact CD2-CE2 4.4Å; L186-Y232 HydrophobicContact CD1-CD1 3.74Å; L186-Y232 HydrophobicContact CD1-CE1 4.06Å; L186-Y232 HydrophobicContact CD1-CG 4.18Å; L186-Y232 HydrophobicContact CD2-CD1 4.16Å; L186-Y232 HydrophobicContact CD2-CD2 4.16Å; L186-Y232 HydrophobicContact CD2-CG 3.73Å; L227-Y232 WeakPolarHBondContact CD1-OH 3.47Å; E230-Y232 HydrophobicContact CB-CE1 4.44Å; E230-Y232 HydrophobicContact CB-CE2 4.09Å; E230-Y232 PolarHBondContact OE2-OH 3.44Å; Y232-K234 WeakPolarHBondContact CB-O 3.33Å; Y232-K234 PolarHBondContact O-N 3.36Å; Y232-V236 HydrophobicContact CD2-CB 4.42Å; Y232-V236 HydrophobicContact CD2-CG2 3.93Å
233	Q	93.6	Very high	97.3	Very high	215 Å²	215	54.8 Å²	54.8	100%	1.005	28%	0.275	S	S	*	.	S	Bend	trans	-60.8	-28.8	172.7	-67.5	179.7	-1.8	0	0	112.2
234	K	94.2	Very high	97.2	Very high	34 Å²	34	53.4 Å²	53.4	15%	0.148	27%	0.27	C	S	.	.	S	Bend	trans	-104.2	137.2	174.2	-172	-177.8	-61.2	-175.8	0	109.5	M185 L186 Q188 E190 P193 Y232 V236	M185-K234 PolarHBondContact O-NZ 3.03Å; L186-K234 HydrophobicContact CD2-CB 4.38Å; L186-K234 WeakPolarHBondContact O-CE 3.49Å; L186-K234 PolarHBondContact O-NZ 3.46Å; Q188-K234 PolarHBondContact O-NZ 3.36Å; E190-K234 WeakPolarHBondContact O-CE 3.25Å; E190-K234 PolarHBondContact O-NZ 3.36Å; P193-K234 HydrophobicContact CG-CD 4.07Å; Y232-K234 WeakPolarHBondContact CB-O 3.33Å; Y232-K234 PolarHBondContact O-N 3.36Å; K234-V236 PolarHBondContact O-N 3.3Å
235	N	95.5	Very high	97.1	Very high	84 Å²	84	55.5 Å²	55.5	45%	0.449	28%	0.283	S	S	.	.			trans	-66.2	128	171	176.6	48.6	0	0	0	110.3	N192	N192-N235 VanDerWaalsContact CA-O 3.27Å; N192-N235 WeakPolarHBondContact CA-O 3.49Å; N192-N235 WeakPolarHBondContact OD1-CB 3.44Å; N192-N235 PolarHBondContact OD1-ND2 3Å
236	V	97.9	Very high	97	Very high	17 Å²	17	49.2 Å²	49.2	10%	0.103	26%	0.259	C	S	.	.			trans	-119.8	123.8	176.8	-176	0	0	0	0	107.9	L182 L186 P193 Y232 K234 I238	L182-V236 HydrophobicContact CD1-CG1 4.15Å; L182-V236 HydrophobicContact CD1-CG2 4.24Å; L186-V236 HydrophobicContact CD2-CG2 3.62Å; P193-V236 HydrophobicContact CG-CG2 4.31Å; P193-V236 WeakPolarHBondContact O-CA 3.46Å; Y232-V236 HydrophobicContact CD2-CB 4.42Å; Y232-V236 HydrophobicContact CD2-CG2 3.93Å; K234-V236 PolarHBondContact O-N 3.3Å; V236-I238 HydrophobicContact CG1-CD1 3.69Å; V236-I238 HydrophobicContact CG1-CG1 4.49Å; V236-I238 PolarHBondContact O-N 3.19Å
237	N	97.9	Very high	96.9	Very high	14 Å²	14	50.7 Å²	50.7	8%	0.075	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111.7	178.4	-57.2	-66.4	0	0	0	109.3	K49 N192 P193 G194 I195 Y274	K49-N237 PolarHBondContact NZ-OD1 3.44Å; N192-N237 PolarHBondContact O-ND2 2.99Å; P193-N237 PolarHBondContact O-N 3.1Å; G194-N237 CarbonylContact C-O 3.52Å; G194-N237 VanDerWaalsContact CA-O 3.27Å; G194-N237 WeakPolarHBondContact CA-O 3.48Å; I195-N237 PolarHBondContact N-O 3.46Å; N237-Y274 HydrophobicContact CB-CE2 4.1Å; N237-Y274 WeakPolarHBondContact CB-OH 3.36Å; N237-Y274 PolarHBondContact ND2-OH 3.27Å
238	I	98.5	Very high	96.7	Very high	15 Å²	15	51 Å²	51	8%	0.077	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.3	173	-51.7	-58.3	0	0	0	108.5	I195 L227 A228 V236	I195-I238 HydrophobicContact CB-CD1 3.77Å; I195-I238 HydrophobicContact CD1-CD1 3.94Å; I195-I238 HydrophobicContact CG1-CD1 3.97Å; L227-I238 HydrophobicContact CD2-CD1 3.75Å; L227-I238 HydrophobicContact CD2-CG1 4.32Å; L227-I238 HydrophobicContact CG-CD1 4.1Å; L227-I238 HydrophobicContact CG-CG1 4.25Å; A228-I238 HydrophobicContact CB-CB 3.82Å; A228-I238 HydrophobicContact CB-CG1 4.15Å; A228-I238 HydrophobicContact CB-CG2 4.23Å; V236-I238 HydrophobicContact CG1-CD1 3.69Å; V236-I238 HydrophobicContact CG1-CG1 4.49Å; V236-I238 PolarHBondContact O-N 3.19Å
239	Q	98.5	Very high	96.4	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.9	177.9	-179.3	165.5	64.4	0	0	110.9	I195 I196 N197 L241 M273 E277 Q278	I195-Q239 PolarHBondContact O-N 2.84Å; I196-Q239 CarbonylContact C-O 3.56Å; I196-Q239 WeakPolarHBondContact CA-O 3.18Å; N197-Q239 PolarHBondContact N-O 3.36Å; Q239-L241 HydrophobicContact CG-CD2 4.3Å; Q239-L241 HydrophobicContact CG-CG 4.42Å; Q239-M273 PolarHBondContact NE2-O 3.4Å; Q239-E277 PolarHBondContact NE2-O 3.34Å; Q239-Q278 CarbonylContact C-O 3.51Å; Q239-Q278 WeakPolarHBondContact CA-O 3.18Å
240	T	98.8	Very high	95.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.6	175.5	-49.4	0	0	0	0	109.9	N197 A199 I221 S224 Q278 Q279 S280	N197-T240 WeakPolarHBondContact O-CA 3.48Å; A199-T240 HydrophobicContact CB-CG2 3.84Å; I221-T240 HydrophobicContact CG1-CG2 3.97Å; S224-T240 WeakPolarHBondContact CB-OG1 3.34Å; S224-T240 PolarHBondContact OG-OG1 3.02Å; S224-T240 VanDerWaalsContact OG-OG1 3.13Å; T240-Q278 PolarHBondContact N-O 2.94Å; T240-Q279 WeakPolarHBondContact O-CA 3.4Å; T240-S280 PolarHBondContact O-N 3.44Å
241	L	98.8	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.6	177.4	-63.5	173.5	0	0	0	110.1	Y73 I196 N197 I198 A199 Q239 P243 Y266 S280	Y73-L241 WeakPolarHBondContact OH-CD1 3.37Å; I196-L241 HydrophobicContact CG2-CD1 3.86Å; I196-L241 HydrophobicContact CG2-CG 4.41Å; N197-L241 PolarHBondContact O-N 3.08Å; I198-L241 HydrophobicContact CD1-CB 4.1Å; I198-L241 HydrophobicContact CD1-CD1 3.66Å; I198-L241 HydrophobicContact CD1-CG 4.38Å; A199-L241 CarbonylContact C-O 3.55Å; A199-L241 WeakPolarHBondContact CA-O 3.39Å; A199-L241 WeakPolarHBondContact CB-O 3.3Å; A199-L241 PolarHBondContact N-O 3.38Å; Q239-L241 HydrophobicContact CG-CD2 4.3Å; Q239-L241 HydrophobicContact CG-CG 4.42Å; L241-P243 WeakPolarHBondContact O-CD 3.35Å; L241-Y266 WeakPolarHBondContact CB-OH 3.17Å; L241-S280 CarbonylContact C-O 3.23Å; L241-S280 WeakPolarHBondContact CA-O 3.08Å
242	C	98.6	Very high	94.8	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.014	24%	0.239	C	C	.	.			trans	-113.3	67.7	179.6	-59.2	0	0	0	0	110.2	L204 S280	L204-C242 HydrophobicContact CD1-CB 3.97Å; C242-S280 PolarHBondContact N-O 2.98Å
243	P	98.4	Very high	94.1	Very high	9 Å²	9	51.5 Å²	51.5	6%	0.058	26%	0.259	C	S	.	.			trans	-66.4	155.6	-176.5	27.1	-34.2	0	0	0	112.4	I198 Y201 L241 I246 Y266	I198-P243 HydrophobicContact CG2-CG 4.36Å; Y201-P243 WeakPolarHBondContact CB-O 3.21Å; Y201-P243 PolarHBondContact N-O 2.75Å; L241-P243 WeakPolarHBondContact O-CD 3.35Å; P243-I246 HydrophobicContact CB-CD1 3.5Å; P243-I246 HydrophobicContact CB-CG1 4.25Å; P243-I246 HydrophobicContact CG-CD1 3.99Å; P243-Y266 HydrophobicContact CB-CE2 3.79Å; P243-Y266 WeakPolarHBondContact CB-OH 3.26Å
244	L	97	Very high	93.8	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.115	22%	0.222	C	C	.	.			trans	-85.1	-162	157.6	-70.7	92.2	0	0	0	109.2	Y201 I246 T281 H286 K289 A290 F293	Y201-L244 HydrophobicContact CD1-CD2 4.17Å; Y201-L244 HydrophobicContact CD1-CG 4.07Å; Y201-L244 HydrophobicContact CD2-CD1 4.18Å; Y201-L244 HydrophobicContact CD2-CG 4.5Å; Y201-L244 HydrophobicContact CG-CD1 4.01Å; Y201-L244 HydrophobicContact CG-CD2 4.38Å; Y201-L244 HydrophobicContact CG-CG 3.86Å; L244-I246 PolarHBondContact O-N 3.03Å; L244-T281 HydrophobicContact CD1-CG2 4.22Å; L244-H286 HydrophobicContact CD1-CB 3.57Å; L244-H286 WeakPolarHBondContact CD1-O 3.28Å; L244-H286 PolarHBondContact N-ND1 2.97Å; L244-K289 HydrophobicContact CD2-CB 4.34Å; L244-K289 HydrophobicContact CD2-CD 3.84Å; L244-K289 HydrophobicContact CD2-CG 3.81Å; L244-A290 HydrophobicContact CD1-CB 4.19Å; L244-F293 HydrophobicContact CD2-CD2 3.96Å; L244-F293 HydrophobicContact CD2-CE2 3.71Å
245	T	95.7	Very high	93.5	Very high	43 Å²	43	50.3 Å²	50.3	26%	0.264	25%	0.251	S	S	.	.			trans	-55.9	122.4	-179.6	-49.4	0	0	0	0	112	E254 T260 H286	T245-E254 HydrophobicContact CG2-CB 4.17Å; T245-E254 HydrophobicContact CG2-CG 3.59Å; T245-T260 HydrophobicContact CG2-CG2 3.89Å; T245-T260 WeakPolarHBondContact O-CA 3.32Å; T245-H286 PolarHBondContact O-NE2 2.9Å
246	I	97.1	Very high	93.3	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.036	25%	0.253	C	S	.	.			trans	-113.6	141.7	171.3	-62.7	159.6	0	0	0	106.7	I69 P243 L244 T248 T251 P261 A263 Y266	I69-I246 HydrophobicContact CD1-CB 4.44Å; I69-I246 HydrophobicContact CD1-CD1 3.39Å; I69-I246 HydrophobicContact CG1-CD1 4.02Å; I69-I246 HydrophobicContact CG1-CG2 4.24Å; P243-I246 HydrophobicContact CB-CD1 3.5Å; P243-I246 HydrophobicContact CB-CG1 4.25Å; P243-I246 HydrophobicContact CG-CD1 3.99Å; L244-I246 PolarHBondContact O-N 3.03Å; I246-T248 HydrophobicContact CB-CG2 4.27Å; I246-T248 HydrophobicContact CG2-CG2 3.83Å; I246-T248 PolarHBondContact O-N 3.17Å; I246-T251 PolarHBondContact O-OG1 2.85Å; I246-P261 HydrophobicContact CG1-CG 4.31Å; I246-P261 WeakPolarHBondContact CG2-O 3.19Å; I246-A263 HydrophobicContact CG2-CB 4.48Å; I246-Y266 HydrophobicContact CD1-CD1 3.4Å; I246-Y266 VanDerWaalsContact CD1-CD1 3.4Å; I246-Y266 HydrophobicContact CD1-CD2 3.61Å; I246-Y266 HydrophobicContact CD1-CE1 3.55Å; I246-Y266 HydrophobicContact CD1-CE2 3.76Å; I246-Y266 HydrophobicContact CD1-CG 3.43Å; I246-Y266 VanDerWaalsContact CD1-CG 3.43Å; I246-Y266 HydrophobicContact CG1-CD1 4.38Å; I246-Y266 HydrophobicContact CG1-CD2 4.02Å; I246-Y266 HydrophobicContact CG1-CE2 4.49Å; I246-Y266 HydrophobicContact CG1-CG 3.96Å
247	Y	96	Very high	93.1	Very high	96 Å²	96	52 Å²	52	38%	0.376	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-73.5	113.9	174.5	177	-106.1	0	0	0	110.5	E254 P256 P261 A263	Y247-E254 VanDerWaalsContact CD2-O 3.24Å; Y247-E254 WeakPolarHBondContact CD2-O 3.1Å; Y247-E254 WeakPolarHBondContact CE2-O 3.24Å; Y247-P256 HydrophobicContact CD1-CG 3.78Å; Y247-P256 HydrophobicContact CD2-CG 4.13Å; Y247-P256 HydrophobicContact CE1-CG 4.15Å; Y247-P256 HydrophobicContact CE2-CG 4.47Å; Y247-P256 HydrophobicContact CG-CG 3.76Å; Y247-P261 PolarHBondContact N-O 3.11Å; Y247-A263 PolarHBondContact O-N 2.95Å
248	T	94.7	Very high	92.9	Very high	18 Å²	18	57 Å²	57	11%	0.11	29%	0.29	C	S	.	.	S	Bend	trans	-149.5	169.6	-176.7	67.9	0	0	0	0	110.2	I69 I246 M250 T251 K252 A263	I69-T248 HydrophobicContact CG1-CG2 4.12Å; I246-T248 HydrophobicContact CB-CG2 4.27Å; I246-T248 HydrophobicContact CG2-CG2 3.83Å; I246-T248 PolarHBondContact O-N 3.17Å; T248-M250 PolarHBondContact O-N 3.45Å; T248-M250 PolarHBondContact OG1-N 3.05Å; T248-T251 PolarHBondContact N-OG1 3.36Å; T248-T251 CarbonylContact O-C 3.57Å; T248-T251 PolarHBondContact O-N 3.23Å; T248-T251 PolarHBondContact O-OG1 3.16Å; T248-T251 PolarHBondContact OG1-N 3.35Å; T248-T251 PolarHBondContact OG1-OG1 3.08Å; T248-K252 PolarHBondContact O-N 2.77Å; T248-A263 HydrophobicContact CG2-CB 4.35Å
249	P	91.3	Very high	92.7	Very high	68 Å²	68	60.2 Å²	60.2	44%	0.442	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55.5	-28.5	169.6	-29.6	38.4	0	0	0	115	T251 K252	P249-T251 VanDerWaalsContact C-N 3.26Å; P249-T251 PolarHBondContact O-N 3.22Å; P249-K252 WeakPolarHBondContact O-CD 3.46Å; P249-K252 VanDerWaalsContact O-CG 3.29Å; P249-K252 WeakPolarHBondContact O-CG 3.33Å
250	M	87.3	Confident	92.6	Very high	122 Å²	122	60.5 Å²	60.5	60%	0.601	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-71.5	-21.9	175.9	-172.9	-175.8	-69.4	0	0	112.5	G143 T248	G143-M250 VanDerWaalsContact O-CE 3.26Å; G143-M250 WeakPolarHBondContact O-CE 3.1Å; T248-M250 PolarHBondContact O-N 3.45Å; T248-M250 PolarHBondContact OG1-N 3.05Å
251	T	86.8	Confident	92.5	Very high	38 Å²	38	60.7 Å²	60.7	23%	0.233	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-123.7	31.1	-172.9	51.8	0	0	0	0	111.7	I246 T248 P249 N253 E254	I246-T251 PolarHBondContact O-OG1 2.85Å; T248-T251 PolarHBondContact N-OG1 3.36Å; T248-T251 CarbonylContact O-C 3.57Å; T248-T251 PolarHBondContact O-N 3.23Å; T248-T251 PolarHBondContact O-OG1 3.16Å; T248-T251 PolarHBondContact OG1-N 3.35Å; T248-T251 PolarHBondContact OG1-OG1 3.08Å; P249-T251 VanDerWaalsContact C-N 3.26Å; P249-T251 PolarHBondContact O-N 3.22Å; T251-N253 PolarHBondContact O-N 3.47Å; T251-E254 VanDerWaalsContact O-CB 3.26Å; T251-E254 WeakPolarHBondContact O-CB 3.18Å; T251-E254 PolarHBondContact O-N 3.46Å
252	K	80.5	Confident	92.5	Very high	149 Å²	149	63.4 Å²	63.4	65%	0.648	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-26.4	-174.6	-78	171.8	-176.1	-174.6	0	115.3	T248 P249 E254	T248-K252 PolarHBondContact O-N 2.77Å; P249-K252 WeakPolarHBondContact O-CD 3.46Å; P249-K252 VanDerWaalsContact O-CG 3.29Å; P249-K252 WeakPolarHBondContact O-CG 3.33Å; K252-E254 PolarHBondContact O-N 3.18Å
253	N	80.1	Confident	92.5	Very high	125 Å²	125	63.9 Å²	63.9	67%	0.668	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.5	177.3	-62.8	-14.1	0	0	0	113.3	T251	T251-N253 PolarHBondContact O-N 3.47Å
254	E	85.3	Confident	92.4	Very high	49 Å²	49	68.6 Å²	68.6	23%	0.229	35%	0.347	C	S	.	.	S	Bend	trans	-94.9	149.6	177.9	-61.5	-69	155	0	0	111	T245 Y247 T251 K252 T260 R312	T245-E254 HydrophobicContact CG2-CB 4.17Å; T245-E254 HydrophobicContact CG2-CG 3.59Å; Y247-E254 VanDerWaalsContact CD2-O 3.24Å; Y247-E254 WeakPolarHBondContact CD2-O 3.1Å; Y247-E254 WeakPolarHBondContact CE2-O 3.24Å; T251-E254 VanDerWaalsContact O-CB 3.26Å; T251-E254 WeakPolarHBondContact O-CB 3.18Å; T251-E254 PolarHBondContact O-N 3.46Å; K252-E254 PolarHBondContact O-N 3.18Å; E254-T260 HydrophobicContact CB-CG2 4.35Å; E254-R312 IonicContact OE1-CZ 2.78Å; E254-R312 IonicContact OE1-NE 2.55Å; E254-R312 IonicContact OE1-NH2 2.96Å; E254-R312 PolarHBondContact OE1-NH2 2.93Å
255	K	89	Confident	92.5	Very high	176 Å²	176	71.1 Å²	71.1	77%	0.765	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-103.7	141.5	174.1	-65.5	-177.5	-179.2	-179.6	0	110.2	S257	K255-S257 PolarHBondContact O-N 3.29Å
256	P	91.4	Very high	92.6	Very high	74 Å²	74	69 Å²	69	48%	0.481	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-53.2	131.8	170.1	-24.5	33.2	0	0	0	110.9	Y247 T260 T262	Y247-P256 HydrophobicContact CD1-CG 3.78Å; Y247-P256 HydrophobicContact CD2-CG 4.13Å; Y247-P256 HydrophobicContact CE1-CG 4.15Å; Y247-P256 HydrophobicContact CE2-CG 4.47Å; Y247-P256 HydrophobicContact CG-CG 3.76Å; P256-T260 WeakPolarHBondContact CA-O 3.34Å; P256-T262 HydrophobicContact CB-CG2 4.42Å
257	S	94.6	Very high	92.7	Very high	61 Å²	61	68.7 Å²	68.7	43%	0.427	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-151.9	176.6	177	76.8	0	0	0	0	109.9	K255 F259 T260	K255-S257 PolarHBondContact O-N 3.29Å; S257-F259 PolarHBondContact O-N 3.19Å; S257-F259 PolarHBondContact OG-N 2.9Å; S257-T260 PolarHBondContact N-O 3.37Å; S257-T260 CarbonylContact O-C 3.39Å; S257-T260 PolarHBondContact O-N 2.92Å; S257-T260 WeakPolarHBondContact OG-CB 3.49Å; S257-T260 PolarHBondContact OG-N 2.83Å; S257-T260 PolarHBondContact OG-OG1 2.95Å
258	F	91.8	Very high	92.8	Very high	121 Å²	121	69.2 Å²	69.2	53%	0.531	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-38.3	175.1	-169.8	-109.4	0	0	0	113.4	Y283 H285	F258-Y283 WeakPolarHBondContact O-CE1 3.48Å; F258-Y283 PolarHBondContact O-OH 3.46Å; F258-H285 HydrophobicContact CD1-CB 4.15Å; F258-H285 AromaticContact CD1-CD2 3.7Å; F258-H285 AromaticContact CD1-CG 3.7Å; F258-H285 AromaticContact CD2-CE1 3.92Å; F258-H285 HydrophobicContact CE1-CB 4.19Å; F258-H285 AromaticContact CE1-CD2 2.93Å; F258-H285 WeakPolarHBondContact CE1-CD2 3.39Å; F258-H285 AromaticContact CE1-CE1 3.9Å; F258-H285 AromaticContact CE1-CG 3.43Å; F258-H285 VanDerWaalsContact CE1-CG 3.43Å; F258-H285 AromaticContact CE1-ND1 4Å; F258-H285 AromaticContact CE1-NE2 3.34Å; F258-H285 VanDerWaalsContact CE1-NE2 3.34Å; F258-H285 WeakPolarHBondContact CE1-NE2 3.4Å; F258-H285 AromaticContact CE2-CD2 3.82Å; F258-H285 AromaticContact CE2-CE1 3.29Å; F258-H285 WeakPolarHBondContact CE2-CE1 3.33Å; F258-H285 AromaticContact CE2-ND1 3.85Å; F258-H285 AromaticContact CE2-NE2 3.3Å; F258-H285 VanDerWaalsContact CE2-NE2 3.3Å; F258-H285 WeakPolarHBondContact CE2-NE2 3.47Å; F258-H285 AromaticContact CZ-CD2 3.05Å; F258-H285 WeakPolarHBondContact CZ-CD2 3.35Å; F258-H285 AromaticContact CZ-CE1 3.34Å; F258-H285 WeakPolarHBondContact CZ-CE1 3.4Å; F258-H285 AromaticContact CZ-CG 3.72Å; F258-H285 AromaticContact CZ-ND1 3.87Å; F258-H285 AromaticContact CZ-NE2 2.81Å; F258-H285 WeakPolarHBondContact CZ-NE2 3.4Å; F258-H285 WeakPolarHBondContact O-CB 3.41Å
259	F	95.1	Very high	93	Very high	82 Å²	82	70 Å²	70	36%	0.36	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-0	178.5	-64.1	-73.6	0	0	0	114.1	S257 H285 H286 K289	S257-F259 PolarHBondContact O-N 3.19Å; S257-F259 PolarHBondContact OG-N 2.9Å; F259-H285 HydrophobicContact CD1-CB 3.98Å; F259-H285 WeakPolarHBondContact CD1-O 3.17Å; F259-H285 HydrophobicContact CE1-CB 4.28Å; F259-H286 PolarHBondContact O-CD2 2.79Å; F259-H286 PolarHBondContact O-NE2 3.43Å; F259-K289 HydrophobicContact CB-CD 4Å; F259-K289 HydrophobicContact CD1-CB 3.99Å; F259-K289 HydrophobicContact CD1-CD 3.84Å; F259-K289 HydrophobicContact CD1-CG 4.44Å; F259-K289 HydrophobicContact CE1-CB 4.23Å; F259-K289 HydrophobicContact CG-CD 4.1Å
260	T	96.2	Very high	93.4	Very high	9 Å²	9	66.7 Å²	66.7	6%	0.055	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-133.1	76.7	178.5	-52.5	0	0	0	0	107.9	T245 E254 P256 S257	T245-T260 HydrophobicContact CG2-CG2 3.89Å; T245-T260 WeakPolarHBondContact O-CA 3.32Å; E254-T260 HydrophobicContact CB-CG2 4.35Å; P256-T260 WeakPolarHBondContact CA-O 3.34Å; S257-T260 PolarHBondContact N-O 3.37Å; S257-T260 CarbonylContact O-C 3.39Å; S257-T260 PolarHBondContact O-N 2.92Å; S257-T260 WeakPolarHBondContact OG-CB 3.49Å; S257-T260 PolarHBondContact OG-N 2.83Å; S257-T260 PolarHBondContact OG-OG1 2.95Å
261	P	97.8	Very high	93.9	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.019	31%	0.306	C	S	.	.			trans	-66.3	159	-177	30.4	-36.1	0	0	0	111	I246 Y247 L265 Y266 Y283 H286	I246-P261 HydrophobicContact CG1-CG 4.31Å; I246-P261 WeakPolarHBondContact CG2-O 3.19Å; Y247-P261 PolarHBondContact N-O 3.11Å; P261-L265 HydrophobicContact CB-CB 4.25Å; P261-L265 HydrophobicContact CB-CD2 3.94Å; P261-L265 HydrophobicContact CB-CG 4.17Å; P261-Y266 HydrophobicContact CG-CD2 4.36Å; P261-Y283 HydrophobicContact CB-CD1 4.34Å; P261-Y283 HydrophobicContact CB-CE1 3.88Å; P261-Y283 HydrophobicContact CB-CE2 4.44Å; P261-Y283 HydrophobicContact CG-CD1 3.75Å; P261-Y283 HydrophobicContact CG-CE1 3.68Å; P261-Y283 HydrophobicContact CG-CG 4.34Å; P261-H286 VanDerWaalsContact CD-NE2 3.31Å; P261-H286 WeakPolarHBondContact CD-NE2 3.34Å
262	T	97.8	Very high	94.5	Very high	58 Å²	58	60.9 Å²	60.9	36%	0.356	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-68	156.9	165	64.4	0	0	0	0	110.1	P256 K264 L265 Y266	P256-T262 HydrophobicContact CB-CG2 4.42Å; T262-K264 PolarHBondContact O-N 3.1Å; T262-L265 PolarHBondContact O-N 3.31Å; T262-L265 PolarHBondContact OG1-N 3.38Å; T262-Y266 WeakPolarHBondContact O-CB 3.26Å; T262-Y266 PolarHBondContact O-N 2.9Å
263	A	97.9	Very high	95.3	Very high	12 Å²	12	53.8 Å²	53.8	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-53.4	-40.1	175	0	0	0	0	0	113	G68 A72 I246 Y247 T248 Y266 A267	G68-A263 VanDerWaalsContact C-CB 3.44Å; G68-A263 VanDerWaalsContact O-CB 3.31Å; G68-A263 WeakPolarHBondContact O-CB 3.49Å; A72-A263 HydrophobicContact CB-CB 4Å; A72-A263 WeakPolarHBondContact CB-O 3.31Å; I246-A263 HydrophobicContact CG2-CB 4.48Å; Y247-A263 PolarHBondContact O-N 2.95Å; T248-A263 HydrophobicContact CG2-CB 4.35Å; A263-Y266 PolarHBondContact O-N 3.36Å; A263-A267 WeakPolarHBondContact O-CB 3.29Å; A263-A267 PolarHBondContact O-N 2.61Å
264	K	98	Very high	96.2	Very high	108 Å²	108	47.9 Å²	47.9	47%	0.47	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-48.6	177.3	-65.9	-166.2	179.8	-144.2	0	112.7	A72 E75 T262 Y266 K268	A72-K264 HydrophobicContact CB-CG 4.33Å; E75-K264 VanDerWaalsContact CD-NZ 3.29Å; E75-K264 IonicContact OE1-NZ 2.79Å; E75-K264 PolarHBondContact OE1-NZ 2.57Å; E75-K264 WeakPolarHBondContact OE2-CE 2.99Å; E75-K264 IonicContact OE2-NZ 3.7Å; E75-K264 PolarHBondContact OE2-NZ 2.96Å; T262-K264 PolarHBondContact O-N 3.1Å; K264-Y266 VanDerWaalsContact C-N 3.31Å; K264-Y266 PolarHBondContact O-N 2.84Å; K264-K268 WeakPolarHBondContact O-CB 3.48Å; K264-K268 PolarHBondContact O-N 3.45Å; K264-K268 VanDerWaalsContact O-N 3.11Å
265	L	98.4	Very high	96.7	Very high	74 Å²	74	46.8 Å²	46.8	39%	0.387	24%	0.243	S	C	.	.	H	α-helix	trans	-62.2	-43.2	177.1	178.4	60.1	0	0	0	110.7	P261 T262 C269 Y283	P261-L265 HydrophobicContact CB-CB 4.25Å; P261-L265 HydrophobicContact CB-CD2 3.94Å; P261-L265 HydrophobicContact CB-CG 4.17Å; T262-L265 PolarHBondContact O-N 3.31Å; T262-L265 PolarHBondContact OG1-N 3.38Å; L265-C269 WeakPolarHBondContact O-CB 3.39Å; L265-C269 PolarHBondContact O-N 3.28Å; L265-C269 PolarHBondContact O-SG 3.19Å; L265-C269 VanDerWaalsContact O-SG 3.36Å; L265-Y283 HydrophobicContact CD2-CE2 4.29Å; L265-Y283 HydrophobicContact CG-CE2 4.35Å
266	Y	98.7	Very high	97.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-49.7	178.5	177.3	-99.2	0	0	0	112.6	I69 Y73 L241 P243 I246 P261 T262 A263 K264 K268 C269 S270 T281	I69-Y266 HydrophobicContact CD1-CE1 4.47Å; I69-Y266 HydrophobicContact CG1-CD1 4.3Å; I69-Y266 HydrophobicContact CG2-CD1 4.15Å; I69-Y266 HydrophobicContact CG2-CE1 4.11Å; Y73-Y266 HydrophobicContact CE2-CE1 4.46Å; L241-Y266 WeakPolarHBondContact CB-OH 3.17Å; P243-Y266 HydrophobicContact CB-CE2 3.79Å; P243-Y266 WeakPolarHBondContact CB-OH 3.26Å; I246-Y266 HydrophobicContact CD1-CD1 3.4Å; I246-Y266 VanDerWaalsContact CD1-CD1 3.4Å; I246-Y266 HydrophobicContact CD1-CD2 3.61Å; I246-Y266 HydrophobicContact CD1-CE1 3.55Å; I246-Y266 HydrophobicContact CD1-CE2 3.76Å; I246-Y266 HydrophobicContact CD1-CG 3.43Å; I246-Y266 VanDerWaalsContact CD1-CG 3.43Å; I246-Y266 HydrophobicContact CG1-CD1 4.38Å; I246-Y266 HydrophobicContact CG1-CD2 4.02Å; I246-Y266 HydrophobicContact CG1-CE2 4.49Å; I246-Y266 HydrophobicContact CG1-CG 3.96Å; P261-Y266 HydrophobicContact CG-CD2 4.36Å; T262-Y266 WeakPolarHBondContact O-CB 3.26Å; T262-Y266 PolarHBondContact O-N 2.9Å; A263-Y266 PolarHBondContact O-N 3.36Å; K264-Y266 VanDerWaalsContact C-N 3.31Å; K264-Y266 PolarHBondContact O-N 2.84Å; Y266-K268 VanDerWaalsContact C-N 3.31Å; Y266-K268 PolarHBondContact O-N 2.97Å; Y266-C269 PolarHBondContact O-N 2.96Å; Y266-S270 VanDerWaalsContact O-CB 3.3Å; Y266-S270 WeakPolarHBondContact O-CB 3.36Å; Y266-S270 PolarHBondContact O-N 3.37Å; Y266-S270 PolarHBondContact O-OG 3.05Å; Y266-T281 WeakPolarHBondContact CE2-O 3.32Å; Y266-T281 PolarHBondContact OH-O 3.36Å
267	A	98.7	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-43.3	-179.9	0	0	0	0	0	111.3	A72 Y73 E76 A263 S270 L271	A72-A267 HydrophobicContact CB-CB 3.54Å; Y73-A267 HydrophobicContact CD2-CB 3.83Å; Y73-A267 HydrophobicContact CE2-CB 4.08Å; Y73-A267 HydrophobicContact CG-CB 4.36Å; E76-A267 HydrophobicContact CG-CB 4.03Å; A263-A267 WeakPolarHBondContact O-CB 3.29Å; A263-A267 PolarHBondContact O-N 2.61Å; A267-S270 WeakPolarHBondContact CA-OG 3.4Å; A267-S270 PolarHBondContact O-OG 3.05Å; A267-L271 WeakPolarHBondContact O-CB 3.34Å; A267-L271 PolarHBondContact O-N 2.91Å
268	K	98.6	Very high	97.5	Very high	106 Å²	106	40.5 Å²	40.5	46%	0.461	21%	0.205	S	C	.	.	H	α-helix	trans	-57.9	-55.8	174.6	-179.8	-176.2	176	-175.8	0	111.7	R50 E76 K264 Y266 S270 L271 D272	R50-K268 PolarHBondContact NH1-O 2.85Å; E76-K268 HydrophobicContact CG-CB 4.33Å; K264-K268 WeakPolarHBondContact O-CB 3.48Å; K264-K268 PolarHBondContact O-N 3.45Å; K264-K268 VanDerWaalsContact O-N 3.11Å; Y266-K268 VanDerWaalsContact C-N 3.31Å; Y266-K268 PolarHBondContact O-N 2.97Å; K268-S270 VanDerWaalsContact C-N 3.34Å; K268-S270 PolarHBondContact O-N 3.42Å; K268-L271 PolarHBondContact O-N 3.05Å; K268-D272 VanDerWaalsContact O-CG 3.23Å; K268-D272 PolarHBondContact O-N 3.06Å
269	C	98.4	Very high	97.8	Very high	34 Å²	34	37.9 Å²	37.9	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-38.9	-176.6	-70.6	0	0	0	0	112.7	L265 Y266 D272 M273 G282 Y283	L265-C269 WeakPolarHBondContact O-CB 3.39Å; L265-C269 PolarHBondContact O-N 3.28Å; L265-C269 PolarHBondContact O-SG 3.19Å; L265-C269 VanDerWaalsContact O-SG 3.36Å; Y266-C269 PolarHBondContact O-N 2.96Å; C269-D272 PolarHBondContact O-N 3.44Å; C269-M273 PolarHBondContact O-N 3.47Å; C269-G282 CarbonylContact C-O 3.53Å; C269-G282 VanDerWaalsContact C-O 3.23Å; C269-Y283 HydrophobicContact CB-CD2 3.94Å
270	S	98.6	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-74.3	-37.3	-178.5	55.8	0	0	0	0	112	Y73 Y266 A267 K268 D272 M273 G282	Y73-S270 VanDerWaalsContact OH-CB 3.31Å; Y73-S270 WeakPolarHBondContact OH-CB 3.25Å; Y73-S270 PolarHBondContact OH-OG 2.9Å; Y266-S270 VanDerWaalsContact O-CB 3.3Å; Y266-S270 WeakPolarHBondContact O-CB 3.36Å; Y266-S270 PolarHBondContact O-N 3.37Å; Y266-S270 PolarHBondContact O-OG 3.05Å; A267-S270 WeakPolarHBondContact CA-OG 3.4Å; A267-S270 PolarHBondContact O-OG 3.05Å; K268-S270 VanDerWaalsContact C-N 3.34Å; K268-S270 PolarHBondContact O-N 3.42Å; S270-D272 VanDerWaalsContact C-N 3.33Å; S270-D272 PolarHBondContact O-N 3.23Å; S270-M273 WeakPolarHBondContact O-CB 3.48Å; S270-M273 PolarHBondContact O-N 3.21Å; S270-M273 VanDerWaalsContact O-N 3.08Å; S270-G282 WeakPolarHBondContact CA-O 3.18Å; S270-G282 PolarHBondContact N-O 2.82Å; S270-G282 VanDerWaalsContact N-O 3.1Å
271	L	98.6	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.6	-32.5	172.5	-169.5	64.2	0	0	0	112	R50 L53 Y73 E76 L77 I196 A267 K268 M273 Y274	R50-L271 HydrophobicContact CG-CD2 4.34Å; R50-L271 HydrophobicContact CG-CG 4.03Å; L53-L271 HydrophobicContact CD1-CD1 3.88Å; Y73-L271 HydrophobicContact CE1-CB 4.34Å; Y73-L271 HydrophobicContact CE1-CD1 4.13Å; E76-L271 HydrophobicContact CB-CD2 3.79Å; L77-L271 HydrophobicContact CD2-CD1 4.08Å; L77-L271 HydrophobicContact CD2-CD2 4.02Å; L77-L271 HydrophobicContact CG-CD2 4.33Å; I196-L271 HydrophobicContact CD1-CD1 3.97Å; A267-L271 WeakPolarHBondContact O-CB 3.34Å; A267-L271 PolarHBondContact O-N 2.91Å; K268-L271 PolarHBondContact O-N 3.05Å; L271-M273 PolarHBondContact O-N 2.91Å; L271-Y274 WeakPolarHBondContact O-CB 3.4Å; L271-Y274 PolarHBondContact O-N 3.19Å
272	D	98.3	Very high	98	Very high	37 Å²	37	33.9 Å²	33.9	20%	0.198	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-25.7	171.3	-68.9	-18.7	0	0	0	112.2	K44 S48 R50 K268 C269 S270 Y274	K44-D272 HydrophobicContact CD-CB 3.91Å; K44-D272 HydrophobicContact CG-CB 4.22Å; S48-D272 WeakPolarHBondContact CB-O 3.47Å; S48-D272 PolarHBondContact OG-O 3.06Å; R50-D272 VanDerWaalsContact CD-OD1 3.23Å; R50-D272 WeakPolarHBondContact CD-OD1 3.39Å; R50-D272 IonicContact CZ-OD1 2.61Å; R50-D272 IonicContact NE-OD1 3.53Å; R50-D272 IonicContact NH1-OD1 3.38Å; R50-D272 PolarHBondContact NH1-OD1 3.05Å; K268-D272 VanDerWaalsContact O-CG 3.23Å; K268-D272 PolarHBondContact O-N 3.06Å; C269-D272 PolarHBondContact O-N 3.44Å; S270-D272 VanDerWaalsContact C-N 3.33Å; S270-D272 PolarHBondContact O-N 3.23Å; D272-Y274 VanDerWaalsContact C-N 3.31Å
273	M	98.3	Very high	98.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.4	175.2	-65.2	-60.7	-65.9	0	0	113.5	K39 Y40 K44 Q239 C269 S270 L271 G275 V276	K39-M273 HydrophobicContact CD-CE 4.35Å; K39-M273 HydrophobicContact CG-CE 3.79Å; Y40-M273 HydrophobicContact CD1-CE 4.11Å; Y40-M273 HydrophobicContact CD1-CG 4.03Å; Y40-M273 HydrophobicContact CD1-SD 3.68Å; Y40-M273 HydrophobicContact CE1-CE 4.07Å; Y40-M273 HydrophobicContact CE1-CG 3.76Å; Y40-M273 HydrophobicContact CE1-SD 3.94Å; Y40-M273 HydrophobicContact CE2-CE 4.47Å; Y40-M273 HydrophobicContact CG-CE 4.36Å; Y40-M273 HydrophobicContact CG-SD 4.26Å; K44-M273 HydrophobicContact CB-SD 3.82Å; K44-M273 HydrophobicContact CD-SD 4.2Å; K44-M273 HydrophobicContact CG-SD 3.92Å; Q239-M273 PolarHBondContact NE2-O 3.4Å; C269-M273 PolarHBondContact O-N 3.47Å; S270-M273 WeakPolarHBondContact O-CB 3.48Å; S270-M273 PolarHBondContact O-N 3.21Å; S270-M273 VanDerWaalsContact O-N 3.08Å; L271-M273 PolarHBondContact O-N 2.91Å; M273-G275 PolarHBondContact O-N 3.18Å; M273-V276 HydrophobicContact CE-CB 3.89Å; M273-V276 HydrophobicContact CE-CG1 3.61Å; M273-V276 HydrophobicContact CE-CG2 4.44Å; M273-V276 WeakPolarHBondContact O-CB 3.43Å; M273-V276 PolarHBondContact O-N 3.24Å; M273-V276 HydrophobicContact SD-CG1 4.49Å; M273-V276 HydrophobicContact SD-CG2 4.47Å
274	Y	98.4	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	123.1	179.6	177.5	-107.9	0	0	0	111.6	K49 L53 G194 I196 N237 L271 D272 V276	K49-Y274 HydrophobicContact CB-CD1 3.8Å; K49-Y274 HydrophobicContact CB-CE1 3.91Å; K49-Y274 PolarHBondContact N-O 3.18Å; L53-Y274 HydrophobicContact CD1-CD1 4.22Å; L53-Y274 HydrophobicContact CD1-CE1 4.38Å; L53-Y274 HydrophobicContact CD2-CD1 4.02Å; L53-Y274 HydrophobicContact CD2-CE1 3.36Å; L53-Y274 HydrophobicContact CD2-CE2 4.41Å; L53-Y274 HydrophobicContact CG-CD1 4.03Å; L53-Y274 HydrophobicContact CG-CE1 3.77Å; G194-Y274 WeakPolarHBondContact CA-OH 3.33Å; I196-Y274 HydrophobicContact CD1-CD2 3.84Å; I196-Y274 HydrophobicContact CD1-CE2 4.25Å; I196-Y274 HydrophobicContact CG1-CD2 3.97Å; I196-Y274 HydrophobicContact CG1-CE2 4.09Å; N237-Y274 HydrophobicContact CB-CE2 4.1Å; N237-Y274 WeakPolarHBondContact CB-OH 3.36Å; N237-Y274 PolarHBondContact ND2-OH 3.27Å; L271-Y274 WeakPolarHBondContact O-CB 3.4Å; L271-Y274 PolarHBondContact O-N 3.19Å; D272-Y274 VanDerWaalsContact C-N 3.31Å; Y274-V276 VanDerWaalsContact C-N 3.27Å; Y274-V276 PolarHBondContact O-N 2.95Å
275	G	96.9	Very high	98	Very high	26 Å²	26	29.4 Å²	29.4	27%	0.268	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-3.3	-177.7	0	0	0	0	0	116	M273	M273-G275 PolarHBondContact O-N 3.18Å
276	V	97.7	Very high	98	Very high	26 Å²	26	25.9 Å²	25.9	16%	0.158	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-44	177.3	-176.7	0	0	0	0	111.1	F47 M273 Y274	F47-V276 HydrophobicContact CB-CG2 4.35Å; M273-V276 HydrophobicContact CE-CB 3.89Å; M273-V276 HydrophobicContact CE-CG1 3.61Å; M273-V276 HydrophobicContact CE-CG2 4.44Å; M273-V276 WeakPolarHBondContact O-CB 3.43Å; M273-V276 PolarHBondContact O-N 3.24Å; M273-V276 HydrophobicContact SD-CG1 4.49Å; M273-V276 HydrophobicContact SD-CG2 4.47Å; Y274-V276 VanDerWaalsContact C-N 3.27Å; Y274-V276 PolarHBondContact O-N 2.95Å
277	E	95.8	Very high	98	Very high	70 Å²	70	27.4 Å²	27.4	33%	0.327	14%	0.141	S	C	.	.			trans	-138.4	138.9	178.3	-79.6	-76.8	-167.2	0	0	109.4	K39 Q239	K39-E277 HydrophobicContact CD-CG 3.45Å; K39-E277 VanDerWaalsContact CD-CG 3.45Å; K39-E277 VanDerWaalsContact CD-OE1 3.29Å; K39-E277 WeakPolarHBondContact CD-OE1 3.44Å; K39-E277 HydrophobicContact CG-CG 4.45Å; K39-E277 IonicContact NZ-OE1 3.57Å; K39-E277 PolarHBondContact NZ-OE1 3.5Å; Q239-E277 PolarHBondContact NE2-O 3.34Å
278	Q	97.3	Very high	97.9	Very high	83 Å²	83	30 Å²	30	39%	0.388	16%	0.155	S	C	.	.	S	Bend	trans	-66.7	-40.2	174.6	-175.1	-175.1	-29.9	0	0	110.9	A228 Q239 T240	A228-Q278 HydrophobicContact CB-CG 4.33Å; Q239-Q278 CarbonylContact C-O 3.51Å; Q239-Q278 WeakPolarHBondContact CA-O 3.18Å; T240-Q278 PolarHBondContact N-O 2.94Å
279	Q	98.4	Very high	97.8	Very high	66 Å²	66	26.5 Å²	26.5	31%	0.308	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.6	178.4	-171.5	-173.3	-73.5	0	0	110.4	I221 T240	I221-Q279 VanDerWaalsContact CG2-OE1 3.24Å; T240-Q279 WeakPolarHBondContact O-CA 3.4Å
280	S	97.8	Very high	97.7	Very high	5 Å²	5	25.1 Å²	25.1	4%	0.035	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	174.4	175.5	71.8	0	0	0	0	111.3	T240 L241 C242 G282	T240-S280 PolarHBondContact O-N 3.44Å; L241-S280 CarbonylContact C-O 3.23Å; L241-S280 WeakPolarHBondContact CA-O 3.08Å; C242-S280 PolarHBondContact N-O 2.98Å; S280-G282 VanDerWaalsContact C-N 3.27Å; S280-G282 PolarHBondContact OG-N 3.46Å
281	T	98.2	Very high	97.6	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.031	14%	0.136	C	C	.	.			trans	-78.2	-12.3	170.1	64.7	0	0	0	0	113.5	Y40 L244 Y266 Y283 H286 E287 A290	Y40-T281 PolarHBondContact OH-OG1 3.4Å; L244-T281 HydrophobicContact CD1-CG2 4.22Å; Y266-T281 WeakPolarHBondContact CE2-O 3.32Å; Y266-T281 PolarHBondContact OH-O 3.36Å; T281-Y283 PolarHBondContact O-N 2.98Å; T281-Y283 PolarHBondContact OG1-O 3.23Å; T281-Y283 VanDerWaalsContact OG1-O 3.12Å; T281-H286 HydrophobicContact CG2-CB 4.1Å; T281-H286 WeakPolarHBondContact OG1-CB 3.47Å; T281-E287 WeakPolarHBondContact CB-OE2 3.43Å; T281-E287 WeakPolarHBondContact CG2-OE2 3.35Å; T281-E287 PolarHBondContact N-OE2 3.46Å; T281-E287 VanDerWaalsContact N-OE2 3.08Å; T281-E287 PolarHBondContact OG1-N 2.89Å; T281-E287 VanDerWaalsContact OG1-N 3.08Å; T281-E287 PolarHBondContact OG1-OE2 2.88Å; T281-A290 HydrophobicContact CG2-CB 4.1Å
282	G	97.9	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	73.2	-2.5	-178	0	0	0	0	0	115.3	Y40 C269 S270 S280	Y40-G282 PolarHBondContact OH-N 2.84Å; C269-G282 CarbonylContact C-O 3.53Å; C269-G282 VanDerWaalsContact C-O 3.23Å; S270-G282 WeakPolarHBondContact CA-O 3.18Å; S270-G282 PolarHBondContact N-O 2.82Å; S270-G282 VanDerWaalsContact N-O 3.1Å; S280-G282 VanDerWaalsContact C-N 3.27Å; S280-G282 PolarHBondContact OG-N 3.46Å
283	Y	98.3	Very high	97.2	Very high	13 Å²	13	30.9 Å²	30.9	5%	0.051	16%	0.157	C	C	.	.	S	Bend	trans	-149.3	124.4	-176.8	179.6	-122.4	0	0	0	110.4	F258 P261 L265 C269 T281 H285 H286 E287	F258-Y283 WeakPolarHBondContact O-CE1 3.48Å; F258-Y283 PolarHBondContact O-OH 3.46Å; P261-Y283 HydrophobicContact CB-CD1 4.34Å; P261-Y283 HydrophobicContact CB-CE1 3.88Å; P261-Y283 HydrophobicContact CB-CE2 4.44Å; P261-Y283 HydrophobicContact CG-CD1 3.75Å; P261-Y283 HydrophobicContact CG-CE1 3.68Å; P261-Y283 HydrophobicContact CG-CG 4.34Å; L265-Y283 HydrophobicContact CD2-CE2 4.29Å; L265-Y283 HydrophobicContact CG-CE2 4.35Å; C269-Y283 HydrophobicContact CB-CD2 3.94Å; T281-Y283 PolarHBondContact O-N 2.98Å; T281-Y283 PolarHBondContact OG1-O 3.23Å; T281-Y283 VanDerWaalsContact OG1-O 3.12Å; Y283-H285 VanDerWaalsContact C-N 3.28Å; Y283-H285 HydrophobicContact CD1-CB 4.08Å; Y283-H285 HydrophobicContact CE1-CB 3.6Å; Y283-H285 AromaticContact CE1-ND1 3.63Å; Y283-H285 AromaticContact CE2-ND1 3.74Å; Y283-H285 AromaticContact CZ-CG 4Å; Y283-H285 AromaticContact CZ-ND1 3.16Å; Y283-H285 PolarHBondContact O-N 2.86Å; Y283-H285 VanDerWaalsContact O-N 3.12Å; Y283-H285 PolarHBondContact OH-ND1 3.35Å; Y283-H286 HydrophobicContact CD1-CB 4.28Å; Y283-H286 AromaticContact CD1-CD2 3.68Å; Y283-H286 AromaticContact CD1-CG 3.78Å; Y283-H286 WeakPolarHBondContact O-CA 3.38Å; Y283-H286 VanDerWaalsContact O-CB 3.28Å; Y283-H286 WeakPolarHBondContact O-CB 3.43Å; Y283-H286 PolarHBondContact O-N 3.45Å; Y283-E287 PolarHBondContact O-N 2.8Å
284	I	97.6	Very high	97.1	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.195	18%	0.18	C	C	.	.	H	α-helix	trans	-55.4	-39.4	-169.8	-169.1	175.2	0	0	0	113.4	I36 Y37 Y40 H286 E287 L288	I36-I284 HydrophobicContact CG2-CG1 4.49Å; Y37-I284 HydrophobicContact CD2-CD1 4.38Å; Y40-I284 HydrophobicContact CD1-CB 3.92Å; Y40-I284 HydrophobicContact CD2-CB 4.37Å; Y40-I284 HydrophobicContact CD2-CG1 4.25Å; Y40-I284 HydrophobicContact CE1-CB 4.48Å; Y40-I284 HydrophobicContact CG-CB 3.84Å; Y40-I284 HydrophobicContact CG-CD1 4.46Å; Y40-I284 HydrophobicContact CG-CG1 4.03Å; I284-H286 VanDerWaalsContact C-N 3.3Å; I284-H286 PolarHBondContact O-N 2.69Å; I284-E287 WeakPolarHBondContact O-CB 3.47Å; I284-E287 PolarHBondContact O-N 2.99Å; I284-E287 VanDerWaalsContact O-N 3.1Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 3.38Å
285	H	97.7	Very high	96.9	Very high	33 Å²	33	38.9 Å²	38.9	15%	0.153	20%	0.2	C	C	.	.	H	α-helix	trans	-71.8	-27.3	179.1	-52.5	116.5	0	0	0	112.6	F258 F259 Y283 K289	F258-H285 HydrophobicContact CD1-CB 4.15Å; F258-H285 AromaticContact CD1-CD2 3.7Å; F258-H285 AromaticContact CD1-CG 3.7Å; F258-H285 AromaticContact CD2-CE1 3.92Å; F258-H285 HydrophobicContact CE1-CB 4.19Å; F258-H285 AromaticContact CE1-CD2 2.93Å; F258-H285 WeakPolarHBondContact CE1-CD2 3.39Å; F258-H285 AromaticContact CE1-CE1 3.9Å; F258-H285 AromaticContact CE1-CG 3.43Å; F258-H285 VanDerWaalsContact CE1-CG 3.43Å; F258-H285 AromaticContact CE1-ND1 4Å; F258-H285 AromaticContact CE1-NE2 3.34Å; F258-H285 VanDerWaalsContact CE1-NE2 3.34Å; F258-H285 WeakPolarHBondContact CE1-NE2 3.4Å; F258-H285 AromaticContact CE2-CD2 3.82Å; F258-H285 AromaticContact CE2-CE1 3.29Å; F258-H285 WeakPolarHBondContact CE2-CE1 3.33Å; F258-H285 AromaticContact CE2-ND1 3.85Å; F258-H285 AromaticContact CE2-NE2 3.3Å; F258-H285 VanDerWaalsContact CE2-NE2 3.3Å; F258-H285 WeakPolarHBondContact CE2-NE2 3.47Å; F258-H285 AromaticContact CZ-CD2 3.05Å; F258-H285 WeakPolarHBondContact CZ-CD2 3.35Å; F258-H285 AromaticContact CZ-CE1 3.34Å; F258-H285 WeakPolarHBondContact CZ-CE1 3.4Å; F258-H285 AromaticContact CZ-CG 3.72Å; F258-H285 AromaticContact CZ-ND1 3.87Å; F258-H285 AromaticContact CZ-NE2 2.81Å; F258-H285 WeakPolarHBondContact CZ-NE2 3.4Å; F258-H285 WeakPolarHBondContact O-CB 3.41Å; F259-H285 HydrophobicContact CD1-CB 3.98Å; F259-H285 WeakPolarHBondContact CD1-O 3.17Å; F259-H285 HydrophobicContact CE1-CB 4.28Å; Y283-H285 VanDerWaalsContact C-N 3.28Å; Y283-H285 HydrophobicContact CD1-CB 4.08Å; Y283-H285 HydrophobicContact CE1-CB 3.6Å; Y283-H285 AromaticContact CE1-ND1 3.63Å; Y283-H285 AromaticContact CE2-ND1 3.74Å; Y283-H285 AromaticContact CZ-CG 4Å; Y283-H285 AromaticContact CZ-ND1 3.16Å; Y283-H285 PolarHBondContact O-N 2.86Å; Y283-H285 VanDerWaalsContact O-N 3.12Å; Y283-H285 PolarHBondContact OH-ND1 3.35Å; H285-K289 VanDerWaalsContact O-CB 3.23Å; H285-K289 WeakPolarHBondContact O-CB 3.28Å; H285-K289 PolarHBondContact O-N 3.48Å; H285-K289 VanDerWaalsContact O-N 3.09Å
286	H	98.2	Very high	96.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.1	-41.1	167.4	-74.4	179.8	0	0	0	111	L244 T245 F259 P261 T281 Y283 I284 K289 A290	L244-H286 HydrophobicContact CD1-CB 3.57Å; L244-H286 WeakPolarHBondContact CD1-O 3.28Å; L244-H286 PolarHBondContact N-ND1 2.97Å; T245-H286 PolarHBondContact O-NE2 2.9Å; F259-H286 PolarHBondContact O-CD2 2.79Å; F259-H286 PolarHBondContact O-NE2 3.43Å; P261-H286 VanDerWaalsContact CD-NE2 3.31Å; P261-H286 WeakPolarHBondContact CD-NE2 3.34Å; T281-H286 HydrophobicContact CG2-CB 4.1Å; T281-H286 WeakPolarHBondContact OG1-CB 3.47Å; Y283-H286 HydrophobicContact CD1-CB 4.28Å; Y283-H286 AromaticContact CD1-CD2 3.68Å; Y283-H286 AromaticContact CD1-CG 3.78Å; Y283-H286 WeakPolarHBondContact O-CA 3.38Å; Y283-H286 VanDerWaalsContact O-CB 3.28Å; Y283-H286 WeakPolarHBondContact O-CB 3.43Å; Y283-H286 PolarHBondContact O-N 3.45Å; I284-H286 VanDerWaalsContact C-N 3.3Å; I284-H286 PolarHBondContact O-N 2.69Å; H286-K289 PolarHBondContact O-N 3.08Å; H286-A290 WeakPolarHBondContact O-CB 3.38Å; H286-A290 PolarHBondContact O-N 3.01Å
287	E	97.7	Very high	96.6	Very high	33 Å²	33	41.5 Å²	41.5	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-44.8	178.3	-154.5	75.9	-154.1	0	0	111.8	I36 Y40 T281 Y283 I284 K289 A290 Y291	I36-E287 HydrophobicContact CB-CG 4.42Å; I36-E287 HydrophobicContact CD1-CG 4.06Å; I36-E287 HydrophobicContact CG1-CG 3.94Å; I36-E287 HydrophobicContact CG2-CB 3.84Å; I36-E287 HydrophobicContact CG2-CG 3.66Å; Y40-E287 HydrophobicContact CE2-CB 3.74Å; Y40-E287 HydrophobicContact CE2-CG 3.7Å; Y40-E287 PolarHBondContact OH-OE2 3.26Å; T281-E287 WeakPolarHBondContact CB-OE2 3.43Å; T281-E287 WeakPolarHBondContact CG2-OE2 3.35Å; T281-E287 PolarHBondContact N-OE2 3.46Å; T281-E287 VanDerWaalsContact N-OE2 3.08Å; T281-E287 PolarHBondContact OG1-N 2.89Å; T281-E287 VanDerWaalsContact OG1-N 3.08Å; T281-E287 PolarHBondContact OG1-OE2 2.88Å; Y283-E287 PolarHBondContact O-N 2.8Å; I284-E287 WeakPolarHBondContact O-CB 3.47Å; I284-E287 PolarHBondContact O-N 2.99Å; I284-E287 VanDerWaalsContact O-N 3.1Å; E287-K289 PolarHBondContact O-N 2.88Å; E287-A290 PolarHBondContact O-N 3.36Å; E287-Y291 WeakPolarHBondContact O-CB 3.45Å; E287-Y291 PolarHBondContact O-N 2.99Å
288	L	97.1	Very high	96.6	Very high	55 Å²	55	41.7 Å²	41.7	29%	0.288	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-43.6	175.8	-66.9	173.8	0	0	0	111.6	L33 I36 I284 Y291 L292	L33-L288 HydrophobicContact CD2-CD2 3.88Å; I36-L288 HydrophobicContact CG2-CD2 4.11Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 3.38Å; L288-Y291 WeakPolarHBondContact O-CB 3.18Å; L288-Y291 PolarHBondContact O-N 3.33Å; L288-L292 WeakPolarHBondContact O-CG 3.25Å; L288-L292 PolarHBondContact O-N 2.9Å; L288-L292 VanDerWaalsContact O-N 3.09Å
289	K	96.1	Very high	96.6	Very high	32 Å²	32	44.9 Å²	44.9	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-41.2	177.9	-174.2	169.8	171.9	-176.7	0	112	L244 F259 H285 H286 E287 L292 F293	L244-K289 HydrophobicContact CD2-CB 4.34Å; L244-K289 HydrophobicContact CD2-CD 3.84Å; L244-K289 HydrophobicContact CD2-CG 3.81Å; F259-K289 HydrophobicContact CB-CD 4Å; F259-K289 HydrophobicContact CD1-CB 3.99Å; F259-K289 HydrophobicContact CD1-CD 3.84Å; F259-K289 HydrophobicContact CD1-CG 4.44Å; F259-K289 HydrophobicContact CE1-CB 4.23Å; F259-K289 HydrophobicContact CG-CD 4.1Å; H285-K289 VanDerWaalsContact O-CB 3.23Å; H285-K289 WeakPolarHBondContact O-CB 3.28Å; H285-K289 PolarHBondContact O-N 3.48Å; H285-K289 VanDerWaalsContact O-N 3.09Å; H286-K289 PolarHBondContact O-N 3.08Å; E287-K289 PolarHBondContact O-N 2.88Å; K289-L292 PolarHBondContact O-N 3.1Å; K289-F293 HydrophobicContact CD-CE2 4.17Å; K289-F293 HydrophobicContact CD-CZ 4.21Å; K289-F293 VanDerWaalsContact CE-CZ 3.47Å; K289-F293 HydrophobicContact CG-CD2 4.11Å; K289-F293 HydrophobicContact CG-CE1 4.31Å; K289-F293 HydrophobicContact CG-CE2 3.63Å; K289-F293 HydrophobicContact CG-CZ 3.73Å; K289-F293 WeakPolarHBondContact O-CB 3.35Å; K289-F293 VanDerWaalsContact O-CG 3.26Å; K289-F293 WeakPolarHBondContact O-CG 3.12Å; K289-F293 PolarHBondContact O-N 2.74Å
290	A	96.9	Very high	96.4	Very high	5 Å²	5	44.9 Å²	44.9	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-44.9	173.5	0	0	0	0	0	111	Y201 L244 T281 H286 E287 L292 F293 N294	Y201-A290 HydrophobicContact CD2-CB 3.91Å; Y201-A290 HydrophobicContact CE2-CB 3.53Å; L244-A290 HydrophobicContact CD1-CB 4.19Å; T281-A290 HydrophobicContact CG2-CB 4.1Å; H286-A290 WeakPolarHBondContact O-CB 3.38Å; H286-A290 PolarHBondContact O-N 3.01Å; E287-A290 PolarHBondContact O-N 3.36Å; A290-L292 PolarHBondContact O-N 3.49Å; A290-F293 PolarHBondContact O-N 3.47Å; A290-N294 VanDerWaalsContact O-CB 3.3Å; A290-N294 WeakPolarHBondContact O-CB 3.47Å; A290-N294 PolarHBondContact O-N 3.02Å; A290-N294 PolarHBondContact O-ND2 2.95Å
291	Y	96.2	Very high	96.3	Very high	29 Å²	29	45.2 Å²	45.2	11%	0.114	23%	0.231	C	C	.	.	H	α-helix	trans	-56.2	-50.8	176.2	178.7	-97.3	0	0	0	111.5	K29 Q32 L33 I36 E287 L288 F293 N294 L295	K29-Y291 WeakPolarHBondContact CA-OH 3.48Å; K29-Y291 VanDerWaalsContact CB-OH 3.27Å; K29-Y291 WeakPolarHBondContact CB-OH 3.34Å; K29-Y291 VanDerWaalsContact CD-OH 3.25Å; K29-Y291 WeakPolarHBondContact CD-OH 3.15Å; K29-Y291 PolarHBondContact O-OH 3.33Å; Q32-Y291 HydrophobicContact CB-CE2 3.78Å; L33-Y291 HydrophobicContact CD1-CE1 3.96Å; L33-Y291 HydrophobicContact CD2-CD1 3.36Å; L33-Y291 HydrophobicContact CD2-CE1 3.55Å; L33-Y291 HydrophobicContact CD2-CG 3.99Å; L33-Y291 HydrophobicContact CG-CD1 3.9Å; L33-Y291 HydrophobicContact CG-CE1 3.51Å; I36-Y291 HydrophobicContact CD1-CD2 3.99Å; I36-Y291 HydrophobicContact CD1-CG 4.02Å; E287-Y291 WeakPolarHBondContact O-CB 3.45Å; E287-Y291 PolarHBondContact O-N 2.99Å; L288-Y291 WeakPolarHBondContact O-CB 3.18Å; L288-Y291 PolarHBondContact O-N 3.33Å; Y291-F293 PolarHBondContact O-N 3.05Å; Y291-N294 PolarHBondContact O-N 3.02Å; Y291-L295 HydrophobicContact CD1-CD1 4.48Å; Y291-L295 HydrophobicContact CE1-CD1 4.01Å; Y291-L295 PolarHBondContact O-N 2.68Å
292	L	94.6	Very high	96.2	Very high	102 Å²	102	47 Å²	47	53%	0.534	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-44.7	177.3	-68.1	174.7	0	0	0	112.2	L288 K289 A290 N294 L295	L288-L292 WeakPolarHBondContact O-CG 3.25Å; L288-L292 PolarHBondContact O-N 2.9Å; L288-L292 VanDerWaalsContact O-N 3.09Å; K289-L292 PolarHBondContact O-N 3.1Å; A290-L292 PolarHBondContact O-N 3.49Å; L292-N294 VanDerWaalsContact C-N 3.26Å; L292-N294 PolarHBondContact O-N 3.44Å; L292-L295 HydrophobicContact CD2-CD1 4.48Å; L292-L295 WeakPolarHBondContact O-CB 3.32Å; L292-L295 PolarHBondContact O-N 2.89Å; L292-L295 VanDerWaalsContact O-N 3.14Å
293	F	94.9	Very high	96	Very high	27 Å²	27	53 Å²	53	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-34.4	176.6	-70.2	-14.8	0	0	0	112.3	Y201 R205 L244 K289 A290 Y291 L295 L296 W301	Y201-F293 HydrophobicContact CE1-CB 4.44Å; Y201-F293 AromaticContact CE1-CD2 3.97Å; Y201-F293 HydrophobicContact CE1-CD2 3.97Å; Y201-F293 WeakPolarHBondContact OH-CB 3.48Å; R205-F293 PolarHBondContact NH1-O 3.35Å; R205-F293 PolarHBondContact NH2-O 3.31Å; L244-F293 HydrophobicContact CD2-CD2 3.96Å; L244-F293 HydrophobicContact CD2-CE2 3.71Å; K289-F293 HydrophobicContact CD-CE2 4.17Å; K289-F293 HydrophobicContact CD-CZ 4.21Å; K289-F293 VanDerWaalsContact CE-CZ 3.47Å; K289-F293 HydrophobicContact CG-CD2 4.11Å; K289-F293 HydrophobicContact CG-CE1 4.31Å; K289-F293 HydrophobicContact CG-CE2 3.63Å; K289-F293 HydrophobicContact CG-CZ 3.73Å; K289-F293 WeakPolarHBondContact O-CB 3.35Å; K289-F293 VanDerWaalsContact O-CG 3.26Å; K289-F293 WeakPolarHBondContact O-CG 3.12Å; K289-F293 PolarHBondContact O-N 2.74Å; A290-F293 PolarHBondContact O-N 3.47Å; Y291-F293 PolarHBondContact O-N 3.05Å; F293-L295 PolarHBondContact O-N 3.16Å; F293-L296 HydrophobicContact CD1-CD1 4.22Å; F293-L296 WeakPolarHBondContact O-CB 3.4Å; F293-L296 PolarHBondContact O-N 3.43Å; F293-L296 VanDerWaalsContact O-N 3.08Å; F293-W301 HydrophobicContact CB-CE3 4.19Å; F293-W301 HydrophobicContact CB-CZ3 3.85Å; F293-W301 HydrophobicContact CD1-CZ3 4.03Å; F293-W301 HydrophobicContact CD2-CE3 4.49Å; F293-W301 AromaticContact CD2-CH2 3.78Å; F293-W301 HydrophobicContact CD2-CH2 3.78Å; F293-W301 AromaticContact CD2-CZ3 3.4Å; F293-W301 HydrophobicContact CD2-CZ3 3.4Å; F293-W301 VanDerWaalsContact CD2-CZ3 3.4Å; F293-W301 HydrophobicContact CE1-CZ3 4.42Å; F293-W301 HydrophobicContact CE2-CH2 4.11Å; F293-W301 AromaticContact CE2-CZ3 3.83Å; F293-W301 HydrophobicContact CE2-CZ3 3.83Å; F293-W301 HydrophobicContact CG-CE3 4.21Å; F293-W301 HydrophobicContact CG-CH2 4.3Å; F293-W301 AromaticContact CG-CZ3 3.5Å; F293-W301 HydrophobicContact CG-CZ3 3.5Å; F293-W301 HydrophobicContact CZ-CZ3 4.33Å
294	N	94.8	Very high	95.8	Very high	89 Å²	89	54.4 Å²	54.4	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-69.4	-16.4	176.5	-72	-22.1	0	0	0	113.9	Y201 R205 A290 Y291 L292 L296	Y201-N294 PolarHBondContact OH-OD1 3.38Å; R205-N294 VanDerWaalsContact NH1-CA 3.26Å; R205-N294 PolarHBondContact NH1-OD1 3.48Å; A290-N294 VanDerWaalsContact O-CB 3.3Å; A290-N294 WeakPolarHBondContact O-CB 3.47Å; A290-N294 PolarHBondContact O-N 3.02Å; A290-N294 PolarHBondContact O-ND2 2.95Å; Y291-N294 PolarHBondContact O-N 3.02Å; L292-N294 VanDerWaalsContact C-N 3.26Å; L292-N294 PolarHBondContact O-N 3.44Å; N294-L296 VanDerWaalsContact C-N 3.32Å
295	L	94	Very high	95.5	Very high	80 Å²	80	53.2 Å²	53.2	42%	0.419	27%	0.269	S	S	.	.	H	α-helix	trans	-77.9	-19.4	169.5	-58	176.4	0	0	0	112.7	K29 Y291 L292 F293	K29-L295 HydrophobicContact CD-CD2 3.89Å; Y291-L295 HydrophobicContact CD1-CD1 4.48Å; Y291-L295 HydrophobicContact CE1-CD1 4.01Å; Y291-L295 PolarHBondContact O-N 2.68Å; L292-L295 HydrophobicContact CD2-CD1 4.48Å; L292-L295 WeakPolarHBondContact O-CB 3.32Å; L292-L295 PolarHBondContact O-N 2.89Å; L292-L295 VanDerWaalsContact O-N 3.14Å; F293-L295 PolarHBondContact O-N 3.16Å
296	L	94.6	Very high	95.2	Very high	45 Å²	45	56.5 Å²	56.5	24%	0.236	28%	0.281	C	S	.	.	S	Bend	trans	-77.3	132	-178.2	-56.1	176.4	0	0	0	110.9	R205 F293 N294 L300 W301 I304	R205-L296 PolarHBondContact NH2-O 3.33Å; F293-L296 HydrophobicContact CD1-CD1 4.22Å; F293-L296 WeakPolarHBondContact O-CB 3.4Å; F293-L296 PolarHBondContact O-N 3.43Å; F293-L296 VanDerWaalsContact O-N 3.08Å; N294-L296 VanDerWaalsContact C-N 3.32Å; L296-L300 HydrophobicContact CD2-CD2 3.87Å; L296-W301 HydrophobicContact CD1-CE3 4.49Å; L296-I304 HydrophobicContact CD1-CD1 3.69Å
297	P	95.5	Very high	94.9	Very high	61 Å²	61	59.7 Å²	59.7	40%	0.396	30%	0.3	S	S	.	.			trans	-62.4	152.1	171.5	28.4	-34.8	0	0	0	110.5	F299 L300 W301	P297-F299 VanDerWaalsContact C-N 3.29Å; P297-F299 HydrophobicContact CB-CD1 3.78Å; P297-F299 HydrophobicContact CB-CE1 3.52Å; P297-F299 HydrophobicContact CB-CZ 4.41Å; P297-F299 HydrophobicContact CG-CD1 3.92Å; P297-F299 HydrophobicContact CG-CE1 3.31Å; P297-F299 HydrophobicContact CG-CZ 3.71Å; P297-F299 PolarHBondContact O-N 3.31Å; P297-L300 HydrophobicContact CG-CB 3.96Å; P297-L300 PolarHBondContact O-N 3.05Å; P297-W301 PolarHBondContact O-N 3.12Å
298	T	95.6	Very high	94.4	Very high	75 Å²	75	63.7 Å²	63.7	46%	0.46	31%	0.314	S	S	.	.	H	α-helix	trans	-54.6	-40.9	-172.5	-59	0	0	0	0	113.2	V206 L300 W301 I302	V206-T298 HydrophobicContact CB-CG2 4.41Å; V206-T298 HydrophobicContact CG2-CG2 4.24Å; T298-L300 VanDerWaalsContact C-N 3.34Å; T298-L300 PolarHBondContact O-N 3.21Å; T298-W301 PolarHBondContact O-N 3.05Å; T298-I302 HydrophobicContact CG2-CD1 3.7Å; T298-I302 HydrophobicContact CG2-CG1 4.27Å; T298-I302 WeakPolarHBondContact O-CB 2.98Å; T298-I302 VanDerWaalsContact O-CG1 3.25Å; T298-I302 WeakPolarHBondContact O-CG1 3.47Å; T298-I302 PolarHBondContact O-N 3.41Å
299	F	95.9	Very high	94	Very high	150 Å²	150	61.4 Å²	61.4	66%	0.658	30%	0.302	S	S	*	.	H	α-helix	trans	-62.4	-40.1	179.4	74.9	-92.4	0	0	0	112.4	P297 I302 F303	P297-F299 VanDerWaalsContact C-N 3.29Å; P297-F299 HydrophobicContact CB-CD1 3.78Å; P297-F299 HydrophobicContact CB-CE1 3.52Å; P297-F299 HydrophobicContact CB-CZ 4.41Å; P297-F299 HydrophobicContact CG-CD1 3.92Å; P297-F299 HydrophobicContact CG-CE1 3.31Å; P297-F299 HydrophobicContact CG-CZ 3.71Å; P297-F299 PolarHBondContact O-N 3.31Å; F299-I302 PolarHBondContact O-N 2.9Å; F299-F303 WeakPolarHBondContact O-CB 3.23Å; F299-F303 PolarHBondContact O-N 2.96Å
300	L	95.7	Very high	93.5	Very high	65 Å²	65	66.6 Å²	66.6	34%	0.34	33%	0.325	S	S	.	.	H	α-helix	trans	-73.1	-39.3	-179.6	-174.2	61.7	0	0	0	110.8	L296 P297 T298 F303 I304	L296-L300 HydrophobicContact CD2-CD2 3.87Å; P297-L300 HydrophobicContact CG-CB 3.96Å; P297-L300 PolarHBondContact O-N 3.05Å; T298-L300 VanDerWaalsContact C-N 3.34Å; T298-L300 PolarHBondContact O-N 3.21Å; L300-F303 PolarHBondContact O-N 2.95Å; L300-I304 HydrophobicContact CG-CD1 4.35Å; L300-I304 WeakPolarHBondContact O-CG1 3.46Å; L300-I304 PolarHBondContact O-N 3.49Å
301	W	95	Very high	92.9	Very high	12 Å²	12	69.4 Å²	69.4	5%	0.045	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-48.8	171.5	171.3	-103.6	0	0	0	111.8	Y201 R205 V206 F293 L296 P297 T298 F303 I304 T305	Y201-W301 HydrophobicContact CD1-CH2 4.4Å; Y201-W301 AromaticContact CE1-CH2 3.7Å; Y201-W301 HydrophobicContact CE1-CH2 3.7Å; Y201-W301 AromaticContact CE1-CZ2 3.97Å; Y201-W301 HydrophobicContact CE1-CZ2 3.97Å; Y201-W301 HydrophobicContact CE1-CZ3 4.41Å; R205-W301 HydrophobicContact CB-CZ2 4.27Å; V206-W301 PolarHBondContact O-NE1 3.08Å; F293-W301 HydrophobicContact CB-CE3 4.19Å; F293-W301 HydrophobicContact CB-CZ3 3.85Å; F293-W301 HydrophobicContact CD1-CZ3 4.03Å; F293-W301 HydrophobicContact CD2-CE3 4.49Å; F293-W301 AromaticContact CD2-CH2 3.78Å; F293-W301 HydrophobicContact CD2-CH2 3.78Å; F293-W301 AromaticContact CD2-CZ3 3.4Å; F293-W301 HydrophobicContact CD2-CZ3 3.4Å; F293-W301 VanDerWaalsContact CD2-CZ3 3.4Å; F293-W301 HydrophobicContact CE1-CZ3 4.42Å; F293-W301 HydrophobicContact CE2-CH2 4.11Å; F293-W301 AromaticContact CE2-CZ3 3.83Å; F293-W301 HydrophobicContact CE2-CZ3 3.83Å; F293-W301 HydrophobicContact CG-CE3 4.21Å; F293-W301 HydrophobicContact CG-CH2 4.3Å; F293-W301 AromaticContact CG-CZ3 3.5Å; F293-W301 HydrophobicContact CG-CZ3 3.5Å; F293-W301 HydrophobicContact CZ-CZ3 4.33Å; L296-W301 HydrophobicContact CD1-CE3 4.49Å; P297-W301 PolarHBondContact O-N 3.12Å; T298-W301 PolarHBondContact O-N 3.05Å; W301-F303 VanDerWaalsContact C-N 3.34Å; W301-F303 PolarHBondContact O-N 3.08Å; W301-I304 PolarHBondContact O-N 2.84Å; W301-T305 PolarHBondContact O-N 3.22Å; W301-T305 PolarHBondContact O-OG1 3.01Å
302	I	95.7	Very high	92.1	Very high	42 Å²	42	71.8 Å²	71.8	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-46	176.8	-76	173.1	0	0	0	110.7	V206 P208 T298 F299 I304 T305 Y306	V206-I302 HydrophobicContact CB-CD1 4.34Å; V206-I302 HydrophobicContact CB-CG1 4.42Å; V206-I302 HydrophobicContact CG1-CD1 3.85Å; V206-I302 HydrophobicContact CG1-CG1 4.12Å; P208-I302 HydrophobicContact CG-CG1 4.41Å; P208-I302 HydrophobicContact CG-CG2 4.15Å; T298-I302 HydrophobicContact CG2-CD1 3.7Å; T298-I302 HydrophobicContact CG2-CG1 4.27Å; T298-I302 WeakPolarHBondContact O-CB 2.98Å; T298-I302 VanDerWaalsContact O-CG1 3.25Å; T298-I302 WeakPolarHBondContact O-CG1 3.47Å; T298-I302 PolarHBondContact O-N 3.41Å; F299-I302 PolarHBondContact O-N 2.9Å; I302-I304 PolarHBondContact O-N 2.85Å; I302-T305 PolarHBondContact O-N 3.35Å; I302-T305 VanDerWaalsContact O-N 3.16Å; I302-Y306 HydrophobicContact CG2-CD2 3.47Å; I302-Y306 VanDerWaalsContact CG2-CD2 3.47Å; I302-Y306 HydrophobicContact CG2-CE2 3.2Å; I302-Y306 WeakPolarHBondContact O-CD2 3.43Å; I302-Y306 PolarHBondContact O-N 2.95Å
303	F	94.8	Very high	91.3	Very high	127 Å²	127	70.5 Å²	70.5	56%	0.557	34%	0.343	S	S	*	.	H	α-helix	trans	-58.5	-43.4	176.4	178.9	-98.3	0	0	0	112.8	F299 L300 W301 T305 Y306 T307	F299-F303 WeakPolarHBondContact O-CB 3.23Å; F299-F303 PolarHBondContact O-N 2.96Å; L300-F303 PolarHBondContact O-N 2.95Å; W301-F303 VanDerWaalsContact C-N 3.34Å; W301-F303 PolarHBondContact O-N 3.08Å; F303-T305 PolarHBondContact O-N 3.36Å; F303-Y306 PolarHBondContact O-N 3.34Å; F303-T307 HydrophobicContact CD1-CG2 4.42Å; F303-T307 HydrophobicContact CE1-CG2 4Å; F303-T307 HydrophobicContact CE2-CG2 4.29Å; F303-T307 HydrophobicContact CZ-CG2 3.93Å; F303-T307 WeakPolarHBondContact O-CG2 3.42Å; F303-T307 PolarHBondContact O-N 3.23Å; F303-T307 PolarHBondContact O-OG1 3.32Å; F303-T307 VanDerWaalsContact O-OG1 3.08Å
304	I	92.9	Very high	90.2	Very high	43 Å²	43	76.6 Å²	76.6	22%	0.221	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-40.1	175.6	-68.4	164.6	0	0	0	111.3	L296 L300 W301 I302 T307 R308	L296-I304 HydrophobicContact CD1-CD1 3.69Å; L300-I304 HydrophobicContact CG-CD1 4.35Å; L300-I304 WeakPolarHBondContact O-CG1 3.46Å; L300-I304 PolarHBondContact O-N 3.49Å; W301-I304 PolarHBondContact O-N 2.84Å; I302-I304 PolarHBondContact O-N 2.85Å; I304-T307 WeakPolarHBondContact CA-OG1 3.46Å; I304-T307 PolarHBondContact O-OG1 2.74Å; I304-R308 WeakPolarHBondContact O-CB 3.17Å; I304-R308 WeakPolarHBondContact O-CG 3.46Å; I304-R308 PolarHBondContact O-N 3.48Å
305	T	91.9	Very high	88.6	Confident	13 Å²	13	78.7 Å²	78.7	8%	0.08	38%	0.38	C	S	.	.	H	α-helix	trans	-65.9	-43.2	176.3	-62.9	0	0	0	0	111.4	T207 W301 I302 F303 T307 R308 V309	T207-T305 HydrophobicContact CG2-CG2 4.11Å; W301-T305 PolarHBondContact O-N 3.22Å; W301-T305 PolarHBondContact O-OG1 3.01Å; I302-T305 PolarHBondContact O-N 3.35Å; I302-T305 VanDerWaalsContact O-N 3.16Å; F303-T305 PolarHBondContact O-N 3.36Å; T305-T307 PolarHBondContact O-N 3.07Å; T305-R308 PolarHBondContact O-N 2.94Å; T305-V309 HydrophobicContact CG2-CG2 4.49Å; T305-V309 WeakPolarHBondContact O-CG2 3.35Å; T305-V309 PolarHBondContact O-N 3.36Å
306	Y	91.5	Very high	86.8	Confident	102 Å²	102	83.3 Å²	83.3	40%	0.4	41%	0.405	S	S	.	.	H	α-helix	trans	-56	-50.5	174.5	-84.7	-64.9	0	0	0	112.3	P208 Y209 I302 F303 R308 V309 K310	P208-Y306 HydrophobicContact CB-CE1 4.29Å; P208-Y306 HydrophobicContact CG-CE2 4.2Å; Y209-Y306 AromaticContact CE2-CD1 3.29Å; Y209-Y306 HydrophobicContact CE2-CD1 3.29Å; Y209-Y306 AromaticContact CE2-CE1 3.44Å; Y209-Y306 HydrophobicContact CE2-CE1 3.44Å; Y209-Y306 VanDerWaalsContact CE2-CE1 3.44Å; Y209-Y306 HydrophobicContact CE2-CG 4.27Å; Y209-Y306 AromaticContact CZ-CD1 3.61Å; Y209-Y306 AromaticContact CZ-CE1 3.55Å; Y209-Y306 WeakPolarHBondContact OH-CD1 3.44Å; Y209-Y306 WeakPolarHBondContact OH-CE1 3.3Å; I302-Y306 HydrophobicContact CG2-CD2 3.47Å; I302-Y306 VanDerWaalsContact CG2-CD2 3.47Å; I302-Y306 HydrophobicContact CG2-CE2 3.2Å; I302-Y306 WeakPolarHBondContact O-CD2 3.43Å; I302-Y306 PolarHBondContact O-N 2.95Å; F303-Y306 PolarHBondContact O-N 3.34Å; Y306-R308 VanDerWaalsContact C-N 3.34Å; Y306-R308 PolarHBondContact O-N 3.33Å; Y306-V309 PolarHBondContact O-N 2.95Å; Y306-K310 WeakPolarHBondContact O-CB 3.49Å; Y306-K310 PolarHBondContact O-N 3.14Å
307	T	90.8	Very high	86.4	Confident	66 Å²	66	85.3 Å²	85.3	41%	0.405	41%	0.413	S	S	.	.	H	α-helix	trans	-63.2	-39.5	-179.2	51.1	0	0	0	0	112	F303 I304 T305 S311	F303-T307 HydrophobicContact CD1-CG2 4.42Å; F303-T307 HydrophobicContact CE1-CG2 4Å; F303-T307 HydrophobicContact CE2-CG2 4.29Å; F303-T307 HydrophobicContact CZ-CG2 3.93Å; F303-T307 WeakPolarHBondContact O-CG2 3.42Å; F303-T307 PolarHBondContact O-N 3.23Å; F303-T307 PolarHBondContact O-OG1 3.32Å; F303-T307 VanDerWaalsContact O-OG1 3.08Å; I304-T307 WeakPolarHBondContact CA-OG1 3.46Å; I304-T307 PolarHBondContact O-OG1 2.74Å; T305-T307 PolarHBondContact O-N 3.07Å; T307-S311 WeakPolarHBondContact O-CB 3.46Å; T307-S311 PolarHBondContact O-N 3.19Å
308	R	88.6	Confident	85.9	Confident	117 Å²	117	86.5 Å²	86.5	44%	0.442	41%	0.414	S	S	.	.	H	α-helix	trans	-63.2	-47.2	174.6	-79.6	-176.7	169.5	160.4	4.4	113.1	I304 T305 Y306 S311 R312	I304-R308 WeakPolarHBondContact O-CB 3.17Å; I304-R308 WeakPolarHBondContact O-CG 3.46Å; I304-R308 PolarHBondContact O-N 3.48Å; T305-R308 PolarHBondContact O-N 2.94Å; Y306-R308 VanDerWaalsContact C-N 3.34Å; Y306-R308 PolarHBondContact O-N 3.33Å; R308-S311 PolarHBondContact O-N 3.11Å; R308-R312 PolarHBondContact O-N 2.92Å
309	V	87.5	Confident	85.4	Confident	8 Å²	8	87.2 Å²	87.2	5%	0.048	41%	0.412	C	S	.	.	H	α-helix	trans	-64.1	-44.6	179.1	172.3	0	0	0	0	110.6	F148 Y209 T305 Y306 S311 R312 K313	F148-V309 HydrophobicContact CB-CG1 4.11Å; F148-V309 HydrophobicContact CD1-CG2 4.28Å; Y209-V309 HydrophobicContact CD1-CG1 4.1Å; Y209-V309 HydrophobicContact CD2-CB 3.82Å; Y209-V309 HydrophobicContact CD2-CG1 3.8Å; Y209-V309 HydrophobicContact CD2-CG2 3.65Å; Y209-V309 HydrophobicContact CE1-CG1 4.36Å; Y209-V309 HydrophobicContact CE2-CB 4.03Å; Y209-V309 HydrophobicContact CE2-CG1 4.05Å; Y209-V309 HydrophobicContact CE2-CG2 4.32Å; Y209-V309 HydrophobicContact CG-CB 4.3Å; Y209-V309 HydrophobicContact CG-CG1 3.8Å; Y209-V309 HydrophobicContact CG-CG2 4.12Å; T305-V309 HydrophobicContact CG2-CG2 4.49Å; T305-V309 WeakPolarHBondContact O-CG2 3.35Å; T305-V309 PolarHBondContact O-N 3.36Å; Y306-V309 PolarHBondContact O-N 2.95Å; V309-S311 VanDerWaalsContact C-N 3.3Å; V309-S311 PolarHBondContact O-N 2.87Å; V309-R312 PolarHBondContact O-N 3.13Å; V309-R312 VanDerWaalsContact O-N 3.08Å; V309-K313 HydrophobicContact CG1-CG 4.48Å; V309-K313 PolarHBondContact O-N 3.22Å
310	K	86	Confident	84.8	Confident	141 Å²	141	83.5 Å²	83.5	61%	0.613	40%	0.397	S	S	*	.	H	α-helix	trans	-60.1	-39.3	176.2	-170.8	174.3	-176.3	174.6	0	112.3	Y306 R312 K314	Y306-K310 WeakPolarHBondContact O-CB 3.49Å; Y306-K310 PolarHBondContact O-N 3.14Å; K310-R312 VanDerWaalsContact C-N 3.35Å; K310-K314 WeakPolarHBondContact O-CG 3.29Å; K310-K314 PolarHBondContact O-N 3.46Å
311	S	84	Confident	84.1	Confident	64 Å²	64	84.6 Å²	84.6	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-37.2	174.7	-175.1	0	0	0	0	112.4	T307 R308 V309 K314 N315	T307-S311 WeakPolarHBondContact O-CB 3.46Å; T307-S311 PolarHBondContact O-N 3.19Å; R308-S311 PolarHBondContact O-N 3.11Å; V309-S311 VanDerWaalsContact C-N 3.3Å; V309-S311 PolarHBondContact O-N 2.87Å; S311-K314 PolarHBondContact O-N 3.28Å; S311-N315 PolarHBondContact O-ND2 2.55Å
312	R	79.8	Confident	83.4	Confident	79 Å²	79	89.5 Å²	89.5	30%	0.298	42%	0.424	S	S	.	.	H	α-helix	trans	-69.7	-42.5	177.3	-74.6	-176.9	177.7	172.1	2.6	112.2	F148 E254 R308 V309 K310 K314 N315 L316	F148-R312 VanDerWaalsContact CZ-NH1 3.28Å; E254-R312 IonicContact OE1-CZ 2.78Å; E254-R312 IonicContact OE1-NE 2.55Å; E254-R312 IonicContact OE1-NH2 2.96Å; E254-R312 PolarHBondContact OE1-NH2 2.93Å; R308-R312 PolarHBondContact O-N 2.92Å; V309-R312 PolarHBondContact O-N 3.13Å; V309-R312 VanDerWaalsContact O-N 3.08Å; K310-R312 VanDerWaalsContact C-N 3.35Å; R312-K314 PolarHBondContact O-N 3.19Å; R312-N315 PolarHBondContact O-N 3.13Å; R312-N315 VanDerWaalsContact O-N 3.07Å; R312-L316 PolarHBondContact O-N 3.32Å
313	K	77.1	Confident	82.5	Confident	74 Å²	74	92.9 Å²	92.9	32%	0.322	44%	0.439	S	S	.	.	H	α-helix	trans	-60.7	-25.9	176.1	-70.2	-165.2	-176.2	-169.3	0	113	F148 E149 E154 V309	F148-K313 WeakPolarHBondContact O-CE 3.46Å; E149-K313 VanDerWaalsContact OE2-CE 3.3Å; E149-K313 WeakPolarHBondContact OE2-CE 3.46Å; E149-K313 IonicContact OE2-NZ 2.74Å; E149-K313 PolarHBondContact OE2-NZ 3.37Å; E154-K313 IonicContact OE1-NZ 3.12Å; E154-K313 PolarHBondContact OE1-NZ 2.67Å; E154-K313 IonicContact OE2-NZ 3.72Å; E154-K313 PolarHBondContact OE2-NZ 2.98Å; V309-K313 HydrophobicContact CG1-CG 4.48Å; V309-K313 PolarHBondContact O-N 3.22Å
314	K	72.3	Confident	81.5	Confident	156 Å²	156	90.2 Å²	90.2	68%	0.678	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.4	175.8	-74.4	-177.1	175.1	-167.3	0	114.6	K310 S311 R312	K310-K314 WeakPolarHBondContact O-CG 3.29Å; K310-K314 PolarHBondContact O-N 3.46Å; S311-K314 PolarHBondContact O-N 3.28Å; R312-K314 PolarHBondContact O-N 3.19Å
315	N	60.7	Low	80.6	Confident	132 Å²	132	94.2 Å²	94.2	71%	0.706	45%	0.448	S	S	*	.			trans	-103	4.3	-176.3	-67.5	-19.8	0	0	0	112.5	S311 R312	S311-N315 PolarHBondContact O-ND2 2.55Å; R312-N315 PolarHBondContact O-N 3.13Å; R312-N315 VanDerWaalsContact O-N 3.07Å
316	L	56.9	Low	79.5	Confident	178 Å²	178	101.5 Å²	101.5	93%	0.932	48%	0.481	S	S	*	.			trans	-102.8	0	171.2	-68.5	172.3	0	0	0	108.3	R312	R312-L316 PolarHBondContact O-N 3.32Å

Retrieved 316 of 316 residues in 188.9 ms (Link to these results)

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