A0A3Q0KT85_SCHMA Loading...

Inositol-1(or 4)-monophosphatase 3 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KT85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 345 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	54.3	Low	78.1	Confident	234 Å²	234	135.5 Å²	135.5	100%	1.153	68%	0.678	S	S	*	*				0	101.1	0	-152.3	177.6	-169.9	0	0	106.8	T3	M1-T3 PolarHBondContact O-N 3.39Å
2	M	58.5	Low	79.2	Confident	187 Å²	187	130.3 Å²	130.3	92%	0.921	66%	0.662	S	S	*	*			trans	-84.4	107.1	-175.5	-162.6	171.8	176.3	0	0	108.2	I4	M2-I4 PolarHBondContact O-N 3.18Å
3	T	68	Low	80.3	Confident	117 Å²	117	127.5 Å²	127.5	72%	0.718	66%	0.655	S	S	*	*			trans	-86.5	101.7	179.5	37.9	0	0	0	0	109.3	M1 R5	M1-T3 PolarHBondContact O-N 3.39Å; T3-R5 PolarHBondContact O-N 3.42Å
4	I	75.8	Confident	81.2	Confident	146 Å²	146	123.6 Å²	123.6	75%	0.749	64%	0.635	S	S	*	*			trans	-71.2	110.1	172.3	-61.5	171.6	0	0	0	107.6	M2	M2-I4 PolarHBondContact O-N 3.18Å
5	R	80	Confident	82.1	Confident	234 Å²	234	122.3 Å²	122.3	88%	0.883	63%	0.628	S	S	*	*			trans	-93.8	109.1	169.6	-76.8	-172.5	169.5	-176.4	-2.3	108.8	T3	T3-R5 PolarHBondContact O-N 3.42Å
6	L	78.7	Confident	82.9	Confident	76 Å²	76	121.1 Å²	121.1	40%	0.398	62%	0.622	S	S	.	*			trans	-70.8	135.7	170.2	-80.4	136.4	0	0	0	109.8	W11	L6-W11 HydrophobicContact CB-CG 4.37Å
7	S	86.3	Confident	83.6	Confident	73 Å²	73	117.2 Å²	117.2	51%	0.51	61%	0.608	S	S	.	*			trans	-66.2	164.1	167.5	66.8	0	0	0	0	110.2	H9 G10 W11	S7-H9 PolarHBondContact O-N 3.21Å; S7-G10 WeakPolarHBondContact O-CA 3.43Å; S7-G10 PolarHBondContact O-N 3.25Å; S7-G10 PolarHBondContact OG-N 3.04Å; S7-W11 PolarHBondContact O-N 2.95Å
8	T	87.1	Confident	84.2	Confident	116 Å²	116	116.1 Å²	116.1	71%	0.712	60%	0.602	S	S	*	*	H	α-helix	trans	-52.2	-41.7	173.9	9.2	0	0	0	0	112.1	W11 C12	T8-W11 PolarHBondContact O-N 3.46Å; T8-C12 PolarHBondContact O-N 3.05Å; T8-C12 PolarHBondContact O-SG 3.25Å
9	H	87.4	Confident	84.7	Confident	150 Å²	150	115.2 Å²	115.2	69%	0.694	60%	0.598	S	S	*	*	H	α-helix	trans	-65.1	-38.5	174.9	-65.4	87	0	0	0	112.4	S7 W11 C12 V13	S7-H9 PolarHBondContact O-N 3.21Å; H9-W11 VanDerWaalsContact C-N 3.32Å; H9-W11 PolarHBondContact O-N 3.45Å; H9-C12 PolarHBondContact O-N 3.05Å; H9-V13 WeakPolarHBondContact O-CG2 3.33Å; H9-V13 PolarHBondContact O-N 2.72Å
10	G	89.5	Confident	85.1	Confident	18 Å²	18	113.7 Å²	113.7	19%	0.186	59%	0.594	C	S	.	*	H	α-helix	trans	-61.8	-38.8	175.6	0	0	0	0	0	112.8	S7 L14	S7-G10 WeakPolarHBondContact O-CA 3.43Å; S7-G10 PolarHBondContact O-N 3.25Å; S7-G10 PolarHBondContact OG-N 3.04Å; G10-L14 WeakPolarHBondContact O-CB 3.43Å; G10-L14 PolarHBondContact O-N 3.35Å
11	W	93.1	Very high	85.4	Confident	140 Å²	140	113.4 Å²	113.4	53%	0.53	59%	0.592	S	S	.	*	H	α-helix	trans	-65	-42.7	173.2	-80.5	106.5	0	0	0	112.7	L6 S7 T8 H9 V13 L14 I15	L6-W11 HydrophobicContact CB-CG 4.37Å; S7-W11 PolarHBondContact O-N 2.95Å; T8-W11 PolarHBondContact O-N 3.46Å; H9-W11 VanDerWaalsContact C-N 3.32Å; H9-W11 PolarHBondContact O-N 3.45Å; W11-V13 PolarHBondContact O-N 3.48Å; W11-L14 HydrophobicContact CE3-CD2 4.19Å; W11-L14 HydrophobicContact CZ3-CD2 4.07Å; W11-L14 PolarHBondContact O-N 3.46Å; W11-I15 VanDerWaalsContact O-CG1 3.29Å; W11-I15 WeakPolarHBondContact O-CG1 3.43Å; W11-I15 PolarHBondContact O-N 3.3Å
12	C	92.2	Very high	87.1	Confident	73 Å²	73	107.8 Å²	107.8	49%	0.493	56%	0.561	S	S	.	*	H	α-helix	trans	-59.6	-46.3	176.1	-68.1	0	0	0	0	111.9	T8 H9 L14 I15 I16	T8-C12 PolarHBondContact O-N 3.05Å; T8-C12 PolarHBondContact O-SG 3.25Å; H9-C12 PolarHBondContact O-N 3.05Å; C12-L14 VanDerWaalsContact C-N 3.33Å; C12-L14 PolarHBondContact O-N 3.33Å; C12-I15 PolarHBondContact O-N 2.9Å; C12-I16 VanDerWaalsContact O-CG1 3.3Å; C12-I16 WeakPolarHBondContact O-CG1 3.48Å; C12-I16 PolarHBondContact O-N 3.48Å
13	V	92.8	Very high	88.4	Confident	94 Å²	94	103.5 Å²	103.5	57%	0.57	54%	0.542	S	S	*	.	H	α-helix	trans	-62.7	-41.4	178.1	174.9	0	0	0	0	111.2	H9 W11 I16 S17	H9-V13 WeakPolarHBondContact O-CG2 3.33Å; H9-V13 PolarHBondContact O-N 2.72Å; W11-V13 PolarHBondContact O-N 3.48Å; V13-I16 PolarHBondContact O-N 3.18Å; V13-S17 WeakPolarHBondContact O-CB 3.21Å; V13-S17 PolarHBondContact O-N 2.93Å; V13-S17 PolarHBondContact O-OG 2.96Å
14	L	93.9	Very high	89.1	Confident	72 Å²	72	106 Å²	106	38%	0.377	54%	0.539	S	S	.	.	H	α-helix	trans	-63.7	-44.7	177.6	-166.6	109.1	0	0	0	111.7	G10 W11 C12 S17 I18	G10-L14 WeakPolarHBondContact O-CB 3.43Å; G10-L14 PolarHBondContact O-N 3.35Å; W11-L14 HydrophobicContact CE3-CD2 4.19Å; W11-L14 HydrophobicContact CZ3-CD2 4.07Å; W11-L14 PolarHBondContact O-N 3.46Å; C12-L14 VanDerWaalsContact C-N 3.33Å; C12-L14 PolarHBondContact O-N 3.33Å; L14-S17 PolarHBondContact O-N 3.45Å; L14-I18 HydrophobicContact CD2-CD1 3.68Å; L14-I18 HydrophobicContact CG-CD1 4Å; L14-I18 WeakPolarHBondContact O-CB 3.42Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.24Å; L14-I18 PolarHBondContact O-N 3.35Å
15	I	94.6	Very high	89.3	Confident	104 Å²	104	105.3 Å²	105.3	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-45.6	178	-69	166.9	0	0	0	110.9	W11 C12 S17 I18 L19	W11-I15 VanDerWaalsContact O-CG1 3.29Å; W11-I15 WeakPolarHBondContact O-CG1 3.43Å; W11-I15 PolarHBondContact O-N 3.3Å; C12-I15 PolarHBondContact O-N 2.9Å; I15-S17 VanDerWaalsContact C-N 3.31Å; I15-S17 PolarHBondContact O-N 3.3Å; I15-I18 PolarHBondContact O-N 2.81Å; I15-L19 WeakPolarHBondContact O-CB 3.46Å; I15-L19 PolarHBondContact O-N 3.38Å
16	I	94.5	Very high	89.3	Confident	103 Å²	103	97.8 Å²	97.8	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-42.7	176.4	-67.9	166.8	0	0	0	110.3	C12 V13 L19 V20	C12-I16 VanDerWaalsContact O-CG1 3.3Å; C12-I16 WeakPolarHBondContact O-CG1 3.48Å; C12-I16 PolarHBondContact O-N 3.48Å; V13-I16 PolarHBondContact O-N 3.18Å; I16-L19 WeakPolarHBondContact O-CB 3.29Å; I16-L19 PolarHBondContact O-N 2.85Å; I16-V20 HydrophobicContact CG2-CG2 4.36Å; I16-V20 VanDerWaalsContact O-CG2 3.31Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 3.42Å
17	S	94	Very high	89	Confident	55 Å²	55	97.5 Å²	97.5	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-43.3	178.4	-57.1	0	0	0	0	111.6	V13 L14 I15 L19 V20 I21	V13-S17 WeakPolarHBondContact O-CB 3.21Å; V13-S17 PolarHBondContact O-N 2.93Å; V13-S17 PolarHBondContact O-OG 2.96Å; L14-S17 PolarHBondContact O-N 3.45Å; I15-S17 VanDerWaalsContact C-N 3.31Å; I15-S17 PolarHBondContact O-N 3.3Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-V20 PolarHBondContact O-N 3.36Å; S17-I21 WeakPolarHBondContact O-CB 3.31Å; S17-I21 WeakPolarHBondContact O-CD1 3.36Å; S17-I21 WeakPolarHBondContact O-CG1 3.23Å; S17-I21 PolarHBondContact O-N 3.25Å
18	I	94.2	Very high	88.1	Confident	98 Å²	98	97.3 Å²	97.3	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-62.6	-42	174.4	-69.8	165.5	0	0	0	110.3	L14 I15 I21 F22	L14-I18 HydrophobicContact CD2-CD1 3.68Å; L14-I18 HydrophobicContact CG-CD1 4Å; L14-I18 WeakPolarHBondContact O-CB 3.42Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.24Å; L14-I18 PolarHBondContact O-N 3.35Å; I15-I18 PolarHBondContact O-N 2.81Å; I18-I21 PolarHBondContact O-N 2.83Å; I18-F22 WeakPolarHBondContact O-CB 3.47Å; I18-F22 PolarHBondContact O-N 2.77Å
19	L	94.5	Very high	87	Confident	98 Å²	98	98.2 Å²	98.2	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-45.5	176.8	-171.2	83.5	0	0	0	111.2	I15 I16 S17 F22 L23	I15-L19 WeakPolarHBondContact O-CB 3.46Å; I15-L19 PolarHBondContact O-N 3.38Å; I16-L19 WeakPolarHBondContact O-CB 3.29Å; I16-L19 PolarHBondContact O-N 2.85Å; S17-L19 VanDerWaalsContact C-N 3.33Å; L19-F22 PolarHBondContact O-N 3.49Å; L19-L23 HydrophobicContact CD2-CD1 4.39Å; L19-L23 HydrophobicContact CG-CD1 4.17Å; L19-L23 HydrophobicContact CG-CG 4.47Å; L19-L23 WeakPolarHBondContact O-CB 3.05Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.89Å
20	V	93.1	Very high	85.1	Confident	85 Å²	85	96.7 Å²	96.7	52%	0.515	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-44.1	177.3	170.7	0	0	0	0	110.9	I16 S17 F22 L23 Y24	I16-V20 HydrophobicContact CG2-CG2 4.36Å; I16-V20 VanDerWaalsContact O-CG2 3.31Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 3.42Å; S17-V20 PolarHBondContact O-N 3.36Å; V20-F22 VanDerWaalsContact C-N 3.32Å; V20-F22 PolarHBondContact O-N 2.84Å; V20-L23 PolarHBondContact O-N 2.77Å; V20-Y24 VanDerWaalsContact O-CB 3.3Å; V20-Y24 WeakPolarHBondContact O-CB 3.3Å; V20-Y24 PolarHBondContact O-N 3.28Å
21	I	91.1	Very high	82.9	Confident	109 Å²	109	100.3 Å²	100.3	56%	0.559	52%	0.519	S	S	*	.	H	α-helix	trans	-63.5	-40.9	175.5	-68.6	165.1	0	0	0	110.4	S17 I18 Y24 Y25	S17-I21 WeakPolarHBondContact O-CB 3.31Å; S17-I21 WeakPolarHBondContact O-CD1 3.36Å; S17-I21 WeakPolarHBondContact O-CG1 3.23Å; S17-I21 PolarHBondContact O-N 3.25Å; I18-I21 PolarHBondContact O-N 2.83Å; I21-Y24 PolarHBondContact O-N 2.78Å; I21-Y25 VanDerWaalsContact O-CB 3.25Å; I21-Y25 WeakPolarHBondContact O-CB 3.25Å; I21-Y25 PolarHBondContact O-N 2.77Å
22	F	89.1	Confident	80.8	Confident	116 Å²	116	99.2 Å²	99.2	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-67.1	-41.6	177.6	-177.5	-109	0	0	0	111.7	I18 L19 V20 Y25 L26	I18-F22 WeakPolarHBondContact O-CB 3.47Å; I18-F22 PolarHBondContact O-N 2.77Å; L19-F22 PolarHBondContact O-N 3.49Å; V20-F22 VanDerWaalsContact C-N 3.32Å; V20-F22 PolarHBondContact O-N 2.84Å; F22-Y25 PolarHBondContact O-N 2.76Å; F22-L26 HydrophobicContact CD1-CD1 3.72Å; F22-L26 HydrophobicContact CD1-CG 4.29Å; F22-L26 HydrophobicContact CE1-CD1 3.33Å; F22-L26 HydrophobicContact CE1-CG 4.01Å; F22-L26 HydrophobicContact CE2-CG 4.38Å; F22-L26 HydrophobicContact CG-CD1 4.49Å; F22-L26 HydrophobicContact CZ-CD1 3.8Å; F22-L26 HydrophobicContact CZ-CD2 4.18Å; F22-L26 HydrophobicContact CZ-CG 4.05Å; F22-L26 WeakPolarHBondContact O-CB 3.36Å; F22-L26 VanDerWaalsContact O-CG 3.29Å; F22-L26 WeakPolarHBondContact O-CG 3.28Å; F22-L26 PolarHBondContact O-N 3.26Å
23	L	86.6	Confident	78.5	Confident	97 Å²	97	98.3 Å²	98.3	51%	0.508	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-41.3	173	-73	172.1	0	0	0	111.5	L19 V20 Y25 L26 S27	L19-L23 HydrophobicContact CD2-CD1 4.39Å; L19-L23 HydrophobicContact CG-CD1 4.17Å; L19-L23 HydrophobicContact CG-CG 4.47Å; L19-L23 WeakPolarHBondContact O-CB 3.05Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.89Å; V20-L23 PolarHBondContact O-N 2.77Å; L23-Y25 VanDerWaalsContact C-N 3.34Å; L23-L26 PolarHBondContact O-N 3.29Å; L23-S27 WeakPolarHBondContact O-CB 3.13Å; L23-S27 PolarHBondContact O-N 2.79Å
24	Y	82.7	Confident	76.3	Confident	168 Å²	168	102.3 Å²	102.3	66%	0.659	54%	0.543	S	S	*	.	H	α-helix	trans	-62.5	-42	172.4	178	-95.9	0	0	0	111.2	V20 I21 S27 S28	V20-Y24 VanDerWaalsContact O-CB 3.3Å; V20-Y24 WeakPolarHBondContact O-CB 3.3Å; V20-Y24 PolarHBondContact O-N 3.28Å; I21-Y24 PolarHBondContact O-N 2.78Å; Y24-S27 CarbonylContact O-C 3.46Å; Y24-S27 PolarHBondContact O-N 3.39Å; Y24-S28 VanDerWaalsContact O-CB 3.28Å; Y24-S28 WeakPolarHBondContact O-CB 3.33Å; Y24-S28 PolarHBondContact O-N 2.77Å
25	Y	81	Confident	74.1	Confident	133 Å²	133	103.3 Å²	103.3	52%	0.522	55%	0.548	S	S	.	.	H	α-helix	trans	-67	-42.7	177.6	-161.9	-95.2	0	0	0	111.4	I21 F22 L23 S27 S28 F29	I21-Y25 VanDerWaalsContact O-CB 3.25Å; I21-Y25 WeakPolarHBondContact O-CB 3.25Å; I21-Y25 PolarHBondContact O-N 2.77Å; F22-Y25 PolarHBondContact O-N 2.76Å; L23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S28 CarbonylContact O-C 3.59Å; Y25-S28 PolarHBondContact O-N 3.14Å; Y25-S28 VanDerWaalsContact O-N 3.14Å; Y25-F29 AromaticContact CD1-CD2 3.54Å; Y25-F29 HydrophobicContact CD1-CD2 3.54Å; Y25-F29 AromaticContact CD1-CE2 3.91Å; Y25-F29 HydrophobicContact CD1-CE2 3.91Å; Y25-F29 HydrophobicContact CD1-CG 4.36Å; Y25-F29 HydrophobicContact CD2-CD2 4.44Å; Y25-F29 HydrophobicContact CD2-CE2 4.44Å; Y25-F29 AromaticContact CE1-CD2 3.21Å; Y25-F29 HydrophobicContact CE1-CD2 3.21Å; Y25-F29 AromaticContact CE1-CE2 3.11Å; Y25-F29 HydrophobicContact CE1-CE2 3.11Å; Y25-F29 HydrophobicContact CE1-CG 4.1Å; Y25-F29 AromaticContact CE1-CZ 3.87Å; Y25-F29 HydrophobicContact CE1-CZ 3.87Å; Y25-F29 HydrophobicContact CE2-CD2 4.18Å; Y25-F29 AromaticContact CE2-CE2 3.75Å; Y25-F29 HydrophobicContact CE2-CE2 3.75Å; Y25-F29 HydrophobicContact CG-CD2 4.17Å; Y25-F29 AromaticContact CZ-CD2 3.59Å; Y25-F29 AromaticContact CZ-CE2 3.02Å; Y25-F29 AromaticContact CZ-CZ 3.81Å; Y25-F29 WeakPolarHBondContact O-CB 3.17Å; Y25-F29 PolarHBondContact O-N 2.84Å; Y25-F29 WeakPolarHBondContact OH-CE2 3.29Å; Y25-F29 WeakPolarHBondContact OH-CZ 3.38Å
26	L	79.9	Confident	72	Confident	75 Å²	75	107.6 Å²	107.6	39%	0.393	56%	0.563	S	S	.	*	H	α-helix	trans	-62.5	-40	171.7	-74.2	175.5	0	0	0	111.7	F22 L23 S28 N30	F22-L26 HydrophobicContact CD1-CD1 3.72Å; F22-L26 HydrophobicContact CD1-CG 4.29Å; F22-L26 HydrophobicContact CE1-CD1 3.33Å; F22-L26 HydrophobicContact CE1-CG 4.01Å; F22-L26 HydrophobicContact CE2-CG 4.38Å; F22-L26 HydrophobicContact CG-CD1 4.49Å; F22-L26 HydrophobicContact CZ-CD1 3.8Å; F22-L26 HydrophobicContact CZ-CD2 4.18Å; F22-L26 HydrophobicContact CZ-CG 4.05Å; F22-L26 WeakPolarHBondContact O-CB 3.36Å; F22-L26 VanDerWaalsContact O-CG 3.29Å; F22-L26 WeakPolarHBondContact O-CG 3.28Å; F22-L26 PolarHBondContact O-N 3.26Å; L23-L26 PolarHBondContact O-N 3.29Å; L26-S28 VanDerWaalsContact C-N 3.27Å; L26-S28 PolarHBondContact O-N 3.45Å; L26-N30 WeakPolarHBondContact O-CB 2.93Å; L26-N30 PolarHBondContact O-N 2.94Å
27	S	72.6	Confident	70.4	Confident	71 Å²	71	104.9 Å²	104.9	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-70.3	-20.5	173.7	179.6	0	0	0	0	113.2	L23 Y24 Y25 N30	L23-S27 WeakPolarHBondContact O-CB 3.13Å; L23-S27 PolarHBondContact O-N 2.79Å; Y24-S27 CarbonylContact O-C 3.46Å; Y24-S27 PolarHBondContact O-N 3.39Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; S27-N30 CarbonylContact C-O 3.54Å
28	S	67.1	Low	69.9	Low	68 Å²	68	108.4 Å²	108.4	48%	0.476	57%	0.571	S	S	.	*	H	α-helix	trans	-93.9	-28.7	176.1	-173.9	0	0	0	0	111.9	Y24 Y25 L26	Y24-S28 VanDerWaalsContact O-CB 3.28Å; Y24-S28 WeakPolarHBondContact O-CB 3.33Å; Y24-S28 PolarHBondContact O-N 2.77Å; Y25-S28 CarbonylContact O-C 3.59Å; Y25-S28 PolarHBondContact O-N 3.14Å; Y25-S28 VanDerWaalsContact O-N 3.14Å; L26-S28 VanDerWaalsContact C-N 3.27Å; L26-S28 PolarHBondContact O-N 3.45Å
29	F	62.6	Low	69.8	Low	135 Å²	135	106.9 Å²	106.9	59%	0.592	57%	0.565	S	S	*	*	H	α-helix	trans	-80.7	-29.9	175.6	-102.8	-98.5	0	0	0	113	Y25 P31	Y25-F29 AromaticContact CD1-CD2 3.54Å; Y25-F29 HydrophobicContact CD1-CD2 3.54Å; Y25-F29 AromaticContact CD1-CE2 3.91Å; Y25-F29 HydrophobicContact CD1-CE2 3.91Å; Y25-F29 HydrophobicContact CD1-CG 4.36Å; Y25-F29 HydrophobicContact CD2-CD2 4.44Å; Y25-F29 HydrophobicContact CD2-CE2 4.44Å; Y25-F29 AromaticContact CE1-CD2 3.21Å; Y25-F29 HydrophobicContact CE1-CD2 3.21Å; Y25-F29 AromaticContact CE1-CE2 3.11Å; Y25-F29 HydrophobicContact CE1-CE2 3.11Å; Y25-F29 HydrophobicContact CE1-CG 4.1Å; Y25-F29 AromaticContact CE1-CZ 3.87Å; Y25-F29 HydrophobicContact CE1-CZ 3.87Å; Y25-F29 HydrophobicContact CE2-CD2 4.18Å; Y25-F29 AromaticContact CE2-CE2 3.75Å; Y25-F29 HydrophobicContact CE2-CE2 3.75Å; Y25-F29 HydrophobicContact CG-CD2 4.17Å; Y25-F29 AromaticContact CZ-CD2 3.59Å; Y25-F29 AromaticContact CZ-CE2 3.02Å; Y25-F29 AromaticContact CZ-CZ 3.81Å; Y25-F29 WeakPolarHBondContact O-CB 3.17Å; Y25-F29 PolarHBondContact O-N 2.84Å; Y25-F29 WeakPolarHBondContact OH-CE2 3.29Å; Y25-F29 WeakPolarHBondContact OH-CZ 3.38Å; F29-P31 WeakPolarHBondContact O-CD 3.46Å
30	N	47.3	Very low	69.8	Low	119 Å²	119	102.6 Å²	102.6	64%	0.636	54%	0.543	S	S	*	.	S	Bend	trans	-89.1	82.1	151.7	-66	-37.1	0	0	0	105.6	L26 S27 V32	L26-N30 WeakPolarHBondContact O-CB 2.93Å; L26-N30 PolarHBondContact O-N 2.94Å; S27-N30 CarbonylContact C-O 3.54Å; N30-V32 PolarHBondContact O-N 3.46Å
31	P	44.6	Very low	69.9	Low	93 Å²	93	99.4 Å²	99.4	60%	0.604	53%	0.525	S	S	*	.			trans	-49.8	118.3	161.7	24.7	-30.8	0	0	0	103.7	F29 G33	F29-P31 WeakPolarHBondContact O-CD 3.46Å; P31-G33 WeakPolarHBondContact O-CA 3.31Å; P31-G33 PolarHBondContact O-N 2.76Å
32	V	48.3	Very low	70.1	Confident	118 Å²	118	94.2 Å²	94.2	72%	0.715	50%	0.498	S	S	*	.			trans	-48.5	103.2	169.8	172	0	0	0	0	102.8	N30 H34	N30-V32 PolarHBondContact O-N 3.46Å; V32-H34 PolarHBondContact O-N 2.95Å
33	G	45.1	Very low	70.4	Confident	53 Å²	53	90.4 Å²	90.4	55%	0.546	48%	0.481	S	S	.	.			trans	-54.3	121.4	-154.1	0	0	0	0	0	105.6	P31 L35	P31-G33 WeakPolarHBondContact O-CA 3.31Å; P31-G33 PolarHBondContact O-N 2.76Å; G33-L35 VanDerWaalsContact O-CA 3.31Å; G33-L35 WeakPolarHBondContact O-CA 3.14Å; G33-L35 PolarHBondContact O-N 2.7Å
34	H	45.9	Very low	70.8	Confident	178 Å²	178	93.5 Å²	93.5	82%	0.824	49%	0.485	S	S	*	.			trans	-26.2	102.9	175.9	-142.4	-76	0	0	0	106.9	V32 K36	V32-H34 PolarHBondContact O-N 2.95Å; H34-K36 VanDerWaalsContact C-N 3.33Å; H34-K36 WeakPolarHBondContact O-CA 3.45Å; H34-K36 PolarHBondContact O-N 2.65Å
35	L	47.9	Very low	71.5	Confident	93 Å²	93	85.5 Å²	85.5	49%	0.487	45%	0.454	S	S	.	.			trans	-49.3	105.1	-166.6	-76.4	150.9	0	0	0	105.7	G33 G37 V39 P144	G33-L35 VanDerWaalsContact O-CA 3.31Å; G33-L35 WeakPolarHBondContact O-CA 3.14Å; G33-L35 PolarHBondContact O-N 2.7Å; L35-G37 PolarHBondContact O-N 3.39Å; L35-V39 HydrophobicContact CB-CG1 4.1Å; L35-V39 HydrophobicContact CD1-CG1 3.94Å; L35-V39 HydrophobicContact CG-CG1 4.46Å; L35-P144 HydrophobicContact CB-CG 4.43Å; L35-P144 HydrophobicContact CD2-CG 3.41Å; L35-P144 VanDerWaalsContact CD2-CG 3.41Å
36	K	49.2	Very low	72.3	Confident	195 Å²	195	79.1 Å²	79.1	85%	0.848	43%	0.429	S	S	*	.			trans	-79	101.5	-172	-89.2	-172.2	176.5	-179.5	0	104.9	H34	H34-K36 VanDerWaalsContact C-N 3.33Å; H34-K36 WeakPolarHBondContact O-CA 3.45Å; H34-K36 PolarHBondContact O-N 2.65Å
37	G	62.7	Low	73.1	Confident	46 Å²	46	76.9 Å²	76.9	47%	0.474	42%	0.419	S	S	.	.	S	Bend	trans	125.5	169.7	176.6	0	0	0	0	0	113.2	L35 V39	L35-G37 PolarHBondContact O-N 3.39Å; G37-V39 PolarHBondContact O-N 3.06Å
38	E	83.4	Confident	74.3	Confident	129 Å²	129	77.3 Å²	77.3	60%	0.603	41%	0.409	S	S	*	.			trans	-63.1	126.5	175.3	-169.3	174.8	163.2	0	0	109.8	I145	E38-I145 HydrophobicContact CB-CG2 4.46Å; E38-I145 WeakPolarHBondContact O-CG2 3.48Å; E38-I145 PolarHBondContact O-N 3.29Å
39	V	91.8	Very high	75.8	Confident	65 Å²	65	74.1 Å²	74.1	39%	0.394	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	136.6	173.9	-67	0	0	0	0	109.5	L35 G37 V143	L35-V39 HydrophobicContact CB-CG1 4.1Å; L35-V39 HydrophobicContact CD1-CG1 3.94Å; L35-V39 HydrophobicContact CG-CG1 4.46Å; G37-V39 PolarHBondContact O-N 3.06Å; V39-V143 CarbonylContact C-O 3.54Å; V39-V143 WeakPolarHBondContact CA-O 3.41Å
40	T	93.4	Very high	77.5	Confident	8 Å²	8	67.7 Å²	67.7	5%	0.049	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.8	-179.7	-70.1	0	0	0	0	110.6	V42 F103 F142 V143	T40-V42 PolarHBondContact O-N 2.9Å; T40-F103 HydrophobicContact CG2-CD1 3.78Å; T40-F103 HydrophobicContact CG2-CE1 3.61Å; T40-F142 WeakPolarHBondContact O-CA 3.22Å; T40-V143 PolarHBondContact N-O 3.27Å; T40-V143 PolarHBondContact O-N 3.42Å
41	S	95.2	Very high	79.9	Confident	18 Å²	18	65.1 Å²	65.1	13%	0.126	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	116.3	169.8	158.7	0	0	0	0	110	R43 R44 L45 D140	S41-R43 VanDerWaalsContact C-N 3.28Å; S41-R43 PolarHBondContact O-N 2.5Å; S41-R44 PolarHBondContact O-N 3.34Å; S41-R44 VanDerWaalsContact OG-CB 3.26Å; S41-R44 WeakPolarHBondContact OG-CB 3.48Å; S41-R44 PolarHBondContact OG-N 3.21Å; S41-L45 PolarHBondContact O-N 3.29Å; S41-D140 WeakPolarHBondContact CB-OD2 3.28Å; S41-D140 VanDerWaalsContact OG-CG 3.25Å; S41-D140 PolarHBondContact OG-OD1 3.04Å; S41-D140 PolarHBondContact OG-OD2 3.06Å
42	V	96	Very high	82.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-35.4	174.9	175.7	0	0	0	0	110.4	T40 R44 L45 L46 L141 V143 I182 W198	T40-V42 PolarHBondContact O-N 2.9Å; V42-R44 PolarHBondContact O-N 3Å; V42-L45 PolarHBondContact O-N 3.02Å; V42-L46 WeakPolarHBondContact O-CB 3.37Å; V42-L46 PolarHBondContact O-N 3.01Å; V42-L141 HydrophobicContact CB-CB 4.16Å; V42-L141 WeakPolarHBondContact CB-O 3.24Å; V42-L141 HydrophobicContact CG2-CB 4.16Å; V42-L141 HydrophobicContact CG2-CD2 4.17Å; V42-L141 HydrophobicContact CG2-CG 4.18Å; V42-L141 WeakPolarHBondContact CG2-O 3.32Å; V42-L141 PolarHBondContact N-O 2.9Å; V42-V143 HydrophobicContact CG2-CG2 3.76Å; V42-I182 HydrophobicContact CG1-CD1 3.96Å; V42-I182 HydrophobicContact CG2-CD1 4.31Å; V42-W198 HydrophobicContact CB-CZ2 4Å; V42-W198 HydrophobicContact CG1-CZ2 3.79Å
43	R	95.6	Very high	84.8	Confident	37 Å²	37	55.1 Å²	55.1	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-45.5	174.7	-178.4	-175.9	159.4	110.6	13.8	111.7	S41 L46 T47 L136 P137 D140 W198	S41-R43 VanDerWaalsContact C-N 3.28Å; S41-R43 PolarHBondContact O-N 2.5Å; R43-L46 PolarHBondContact O-N 3.44Å; R43-T47 WeakPolarHBondContact O-CB 3.18Å; R43-T47 PolarHBondContact O-N 3.03Å; R43-T47 PolarHBondContact O-OG1 3.33Å; R43-L136 HydrophobicContact CG-CD1 4.5Å; R43-L136 PolarHBondContact NH1-O 2.83Å; R43-P137 PolarHBondContact NH1-O 3.37Å; R43-D140 HydrophobicContact CB-CB 4.46Å; R43-D140 WeakPolarHBondContact CB-OD1 3.16Å; R43-D140 PolarHBondContact N-OD1 3.18Å; R43-W198 HydrophobicContact CB-CH2 4.26Å; R43-W198 HydrophobicContact CB-CZ3 4.2Å
44	R	95.5	Very high	87.3	Confident	161 Å²	161	52.6 Å²	52.6	61%	0.608	25%	0.254	S	S	*	.	H	α-helix	trans	-64.3	-42	177.6	-177.2	-177.2	161.7	-179.8	-8.2	111	S41 V42 T47 R48 F103	S41-R44 PolarHBondContact O-N 3.34Å; S41-R44 VanDerWaalsContact OG-CB 3.26Å; S41-R44 WeakPolarHBondContact OG-CB 3.48Å; S41-R44 PolarHBondContact OG-N 3.21Å; V42-R44 PolarHBondContact O-N 3Å; R44-T47 PolarHBondContact O-N 3.18Å; R44-R48 PolarHBondContact O-N 3.49Å; R44-F103 HydrophobicContact CG-CZ 4.13Å
45	L	97.5	Very high	89.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-51.3	176.2	178	57.3	0	0	0	111.4	S41 V42 T47 R48 C49 L99 F103 L106 L148 I150 I175	S41-L45 PolarHBondContact O-N 3.29Å; V42-L45 PolarHBondContact O-N 3.02Å; L45-T47 VanDerWaalsContact C-N 3.33Å; L45-T47 PolarHBondContact O-N 3.26Å; L45-R48 PolarHBondContact O-N 3.48Å; L45-R48 VanDerWaalsContact O-N 3.09Å; L45-C49 PolarHBondContact O-N 2.78Å; L45-C49 PolarHBondContact O-SG 2.6Å; L45-L99 HydrophobicContact CD1-CD2 4.04Å; L45-F103 HydrophobicContact CB-CE1 4.38Å; L45-F103 HydrophobicContact CB-CE2 4.4Å; L45-F103 HydrophobicContact CB-CZ 4Å; L45-F103 HydrophobicContact CD1-CD2 3.68Å; L45-F103 HydrophobicContact CD1-CE2 3.54Å; L45-F103 HydrophobicContact CD1-CG 4.24Å; L45-F103 HydrophobicContact CD1-CZ 3.99Å; L45-L106 HydrophobicContact CD1-CD2 3.57Å; L45-L106 HydrophobicContact CD2-CD1 4.45Å; L45-L106 HydrophobicContact CD2-CD2 4.22Å; L45-L148 HydrophobicContact CD2-CD1 3.74Å; L45-I150 HydrophobicContact CD2-CD1 4.05Å; L45-I175 HydrophobicContact CD2-CD1 4.16Å; L45-I175 HydrophobicContact CD2-CG2 4.02Å; L45-I175 HydrophobicContact CG-CD1 3.9Å
46	L	97.6	Very high	91.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-45.5	176.9	177.9	60	0	0	0	111.9	V42 R43 R48 C49 I50 L136 I175 A183 I185 W196 W198	V42-L46 WeakPolarHBondContact O-CB 3.37Å; V42-L46 PolarHBondContact O-N 3.01Å; R43-L46 PolarHBondContact O-N 3.44Å; L46-R48 VanDerWaalsContact C-N 3.3Å; L46-R48 PolarHBondContact O-N 3.42Å; L46-C49 PolarHBondContact O-N 3.17Å; L46-I50 HydrophobicContact CD1-CD1 4.15Å; L46-I50 HydrophobicContact CD1-CG1 4.28Å; L46-I50 HydrophobicContact CG-CD1 3.98Å; L46-I50 WeakPolarHBondContact O-CG1 3.43Å; L46-I50 PolarHBondContact O-N 2.93Å; L46-L136 HydrophobicContact CD2-CD2 3.88Å; L46-I175 HydrophobicContact CB-CD1 4.02Å; L46-I175 HydrophobicContact CD1-CD1 4.27Å; L46-A183 HydrophobicContact CD1-CB 4.15Å; L46-I185 HydrophobicContact CD1-CD1 3.97Å; L46-I185 HydrophobicContact CD1-CG1 4.05Å; L46-W196 HydrophobicContact CD2-CE3 4.21Å; L46-W196 HydrophobicContact CD2-CZ3 4.31Å; L46-W198 HydrophobicContact CD2-CB 3.82Å; L46-W198 HydrophobicContact CD2-CD2 4.34Å; L46-W198 HydrophobicContact CD2-CE3 4.32Å; L46-W198 HydrophobicContact CD2-CG 4.16Å
47	T	96.8	Very high	94.2	Very high	28 Å²	28	33.8 Å²	33.8	17%	0.172	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-44.8	175.9	-59.5	0	0	0	0	111.3	R43 R44 L45 I50 H51 F132 L136	R43-T47 WeakPolarHBondContact O-CB 3.18Å; R43-T47 PolarHBondContact O-N 3.03Å; R43-T47 PolarHBondContact O-OG1 3.33Å; R44-T47 PolarHBondContact O-N 3.18Å; L45-T47 VanDerWaalsContact C-N 3.33Å; L45-T47 PolarHBondContact O-N 3.26Å; T47-I50 PolarHBondContact O-N 2.92Å; T47-H51 PolarHBondContact O-N 3.47Å; T47-F132 HydrophobicContact CG2-CE2 3.62Å; T47-F132 HydrophobicContact CG2-CZ 3.89Å; T47-L136 WeakPolarHBondContact OG1-CD1 3.39Å
48	R	97.4	Very high	95.7	Very high	80 Å²	80	32.2 Å²	32.2	30%	0.302	15%	0.151	S	C	.	.	H	α-helix	trans	-66.6	-41.9	177.6	-175.2	55.6	171.3	165.1	0.6	111.6	R44 L45 L46 I50 H51 L52 G98 A102 F103	R44-R48 PolarHBondContact O-N 3.49Å; L45-R48 PolarHBondContact O-N 3.48Å; L45-R48 VanDerWaalsContact O-N 3.09Å; L46-R48 VanDerWaalsContact C-N 3.3Å; L46-R48 PolarHBondContact O-N 3.42Å; R48-I50 PolarHBondContact O-N 3.02Å; R48-H51 PolarHBondContact O-N 3.09Å; R48-L52 HydrophobicContact CG-CD1 3.87Å; R48-L52 HydrophobicContact CG-CG 4.37Å; R48-L52 WeakPolarHBondContact O-CB 3.47Å; R48-L52 VanDerWaalsContact O-CG 3.24Å; R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 3.29Å; R48-G98 PolarHBondContact NE-O 3.35Å; R48-G98 PolarHBondContact NH2-O 2.94Å; R48-A102 HydrophobicContact CG-CB 4.26Å; R48-F103 HydrophobicContact CB-CE2 3.94Å; R48-F103 HydrophobicContact CG-CE2 4.04Å
49	C	98.4	Very high	96.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-41.9	176.3	-65.9	0	0	0	0	111.9	L45 L46 L52 S53 I173 I185	L45-C49 PolarHBondContact O-N 2.78Å; L45-C49 PolarHBondContact O-SG 2.6Å; L46-C49 PolarHBondContact O-N 3.17Å; C49-L52 PolarHBondContact O-N 3.41Å; C49-S53 WeakPolarHBondContact O-CB 3.48Å; C49-S53 PolarHBondContact O-N 3.1Å; C49-S53 PolarHBondContact O-OG 2.96Å; C49-I173 HydrophobicContact CB-CD1 4.34Å; C49-I173 HydrophobicContact CB-CG2 3.92Å; C49-I173 WeakPolarHBondContact O-CD1 3.43Å; C49-I185 HydrophobicContact CB-CD1 3.27Å
50	I	98.3	Very high	96.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-53.6	176.3	-69.1	162.3	0	0	0	109.9	L46 T47 R48 L52 S53 E54 F132 I185 T194 W196	L46-I50 HydrophobicContact CD1-CD1 4.15Å; L46-I50 HydrophobicContact CD1-CG1 4.28Å; L46-I50 HydrophobicContact CG-CD1 3.98Å; L46-I50 WeakPolarHBondContact O-CG1 3.43Å; L46-I50 PolarHBondContact O-N 2.93Å; T47-I50 PolarHBondContact O-N 2.92Å; R48-I50 PolarHBondContact O-N 3.02Å; I50-L52 VanDerWaalsContact C-N 3.31Å; I50-L52 PolarHBondContact O-N 2.76Å; I50-S53 PolarHBondContact O-N 3.23Å; I50-S53 PolarHBondContact O-OG 3.5Å; I50-E54 WeakPolarHBondContact O-CG 3.29Å; I50-E54 PolarHBondContact O-N 2.99Å; I50-E54 VanDerWaalsContact O-N 3.09Å; I50-F132 HydrophobicContact CD1-CB 4.02Å; I50-F132 HydrophobicContact CD1-CD2 4.23Å; I50-F132 HydrophobicContact CD1-CG 4.12Å; I50-F132 HydrophobicContact CG2-CB 4.26Å; I50-F132 HydrophobicContact CG2-CD1 3.71Å; I50-F132 HydrophobicContact CG2-CE1 4.35Å; I50-F132 HydrophobicContact CG2-CG 4Å; I50-I185 HydrophobicContact CG1-CD1 3.86Å; I50-I185 HydrophobicContact CG1-CG1 4.02Å; I50-T194 HydrophobicContact CG2-CG2 4.35Å; I50-W196 HydrophobicContact CD1-CD2 3.96Å; I50-W196 HydrophobicContact CD1-CG 3.94Å; I50-W196 HydrophobicContact CD1-CZ2 4.43Å; I50-W196 HydrophobicContact CG1-CG 4.23Å
51	H	97	Very high	96.2	Very high	66 Å²	66	25.8 Å²	25.8	31%	0.306	12%	0.115	S	C	.	.	H	α-helix	trans	-55.9	-44.8	177.7	-70.4	163	0	0	0	112.8	T47 R48 E54 E55 F132	T47-H51 PolarHBondContact O-N 3.47Å; R48-H51 PolarHBondContact O-N 3.09Å; H51-E54 PolarHBondContact O-N 3.03Å; H51-E55 WeakPolarHBondContact O-CB 3.12Å; H51-E55 PolarHBondContact O-N 3.36Å; H51-F132 AromaticContact CD2-CE1 3.52Å; H51-F132 AromaticContact CD2-CZ 3.83Å; H51-F132 AromaticContact CE1-CZ 3.79Å; H51-F132 AromaticContact NE2-CE1 3.15Å; H51-F132 WeakPolarHBondContact NE2-CE1 3.34Å; H51-F132 AromaticContact NE2-CZ 3.11Å; H51-F132 WeakPolarHBondContact NE2-CZ 3.12Å
52	L	97.4	Very high	96	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-67.6	-36.6	-179.2	-69.6	172.1	0	0	0	112.3	R48 C49 I50 E54 A56 I94 I95 L99	R48-L52 HydrophobicContact CG-CD1 3.87Å; R48-L52 HydrophobicContact CG-CG 4.37Å; R48-L52 WeakPolarHBondContact O-CB 3.47Å; R48-L52 VanDerWaalsContact O-CG 3.24Å; R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 3.29Å; C49-L52 PolarHBondContact O-N 3.41Å; I50-L52 VanDerWaalsContact C-N 3.31Å; I50-L52 PolarHBondContact O-N 2.76Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-A56 WeakPolarHBondContact O-CB 3.38Å; L52-A56 PolarHBondContact O-N 2.86Å; L52-I94 HydrophobicContact CD2-CG2 4.12Å; L52-I95 HydrophobicContact CB-CG1 4.41Å; L52-L99 HydrophobicContact CD1-CD2 3.9Å; L52-L99 HydrophobicContact CD1-CG 3.76Å
53	S	98.3	Very high	95.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-38.2	176.2	70.7	0	0	0	0	112.3	C49 I50 G57 I185 H187	C49-S53 WeakPolarHBondContact O-CB 3.48Å; C49-S53 PolarHBondContact O-N 3.1Å; C49-S53 PolarHBondContact O-OG 2.96Å; I50-S53 PolarHBondContact O-N 3.23Å; I50-S53 PolarHBondContact O-OG 3.5Å; S53-G57 PolarHBondContact O-N 3.38Å; S53-I185 WeakPolarHBondContact OG-CG2 3.27Å; S53-H187 PolarHBondContact O-CD2 3.37Å
54	E	97.7	Very high	95.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-72.1	-42.7	177.7	-75.4	176.7	168.9	0	0	111.8	I50 H51 L52 G57 G58 V127 Y128 H129 S130 T194	I50-E54 WeakPolarHBondContact O-CG 3.29Å; I50-E54 PolarHBondContact O-N 2.99Å; I50-E54 VanDerWaalsContact O-N 3.09Å; H51-E54 PolarHBondContact O-N 3.03Å; L52-E54 VanDerWaalsContact C-N 3.33Å; E54-G57 PolarHBondContact O-N 2.94Å; E54-G58 PolarHBondContact O-N 2.84Å; E54-V127 HydrophobicContact CB-CG1 4.12Å; E54-V127 WeakPolarHBondContact O-CG1 3.4Å; E54-Y128 VanDerWaalsContact CB-O 3.31Å; E54-Y128 WeakPolarHBondContact CB-O 2.97Å; E54-Y128 HydrophobicContact CG-CD1 4.45Å; E54-H129 WeakPolarHBondContact OE2-CA 3.48Å; E54-H129 IonicContact OE2-ND1 3.13Å; E54-S130 WeakPolarHBondContact OE1-CB 3.1Å; E54-S130 PolarHBondContact OE1-N 2.64Å; E54-S130 PolarHBondContact OE1-OG 3.34Å; E54-S130 PolarHBondContact OE2-N 2.84Å; E54-T194 HydrophobicContact CG-CG2 4.45Å; E54-T194 PolarHBondContact OE1-OG1 2.86Å
55	E	95.5	Very high	95	Very high	70 Å²	70	23.2 Å²	23.2	33%	0.327	11%	0.114	S	C	.	.	H	α-helix	trans	-60.2	-48.4	174.9	-167.7	-177.1	158.7	0	0	111.1	H51 G57 G58 L59 I94 Y123	H51-E55 WeakPolarHBondContact O-CB 3.12Å; H51-E55 PolarHBondContact O-N 3.36Å; E55-G57 VanDerWaalsContact C-N 3.34Å; E55-G57 PolarHBondContact O-N 3.37Å; E55-G58 PolarHBondContact O-N 3.09Å; E55-L59 PolarHBondContact O-N 3.31Å; E55-L59 VanDerWaalsContact O-N 3.15Å; E55-I94 HydrophobicContact CB-CG2 3.97Å; E55-I94 HydrophobicContact CG-CD1 4.37Å; E55-I94 HydrophobicContact CG-CG2 3.93Å; E55-Y123 WeakPolarHBondContact CG-OH 3.29Å; E55-Y123 PolarHBondContact O-OH 2.81Å
56	A	95.9	Very high	94.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58	-44.6	173.1	0	0	0	0	0	112.4	L52 G58 L59 I60 S91 I94 I95 V171	L52-A56 WeakPolarHBondContact O-CB 3.38Å; L52-A56 PolarHBondContact O-N 2.86Å; A56-G58 VanDerWaalsContact C-N 3.32Å; A56-G58 PolarHBondContact O-N 3.27Å; A56-L59 WeakPolarHBondContact O-CB 3.26Å; A56-L59 PolarHBondContact O-N 3.24Å; A56-L59 VanDerWaalsContact O-N 3.17Å; A56-I60 WeakPolarHBondContact O-CG1 3.5Å; A56-I60 PolarHBondContact O-N 3.48Å; A56-S91 WeakPolarHBondContact CB-OG 3.35Å; A56-I94 HydrophobicContact CB-CG2 4.3Å; A56-I95 HydrophobicContact CB-CD1 3.98Å; A56-I95 HydrophobicContact CB-CG1 3.99Å; A56-V171 HydrophobicContact CB-CG1 4.25Å; A56-V171 HydrophobicContact CB-CG2 4.2Å
57	G	96.5	Very high	92.7	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-40.1	175.2	0	0	0	0	0	113.5	S53 E54 E55 L59 I60 K61 P189	S53-G57 PolarHBondContact O-N 3.38Å; E54-G57 PolarHBondContact O-N 2.94Å; E55-G57 VanDerWaalsContact C-N 3.34Å; E55-G57 PolarHBondContact O-N 3.37Å; G57-L59 VanDerWaalsContact C-N 3.34Å; G57-L59 PolarHBondContact O-N 2.82Å; G57-I60 PolarHBondContact O-N 3.5Å; G57-K61 WeakPolarHBondContact O-CB 3.38Å; G57-K61 PolarHBondContact O-N 3.22Å; G57-P189 VanDerWaalsContact O-CB 3.28Å; G57-P189 WeakPolarHBondContact O-CB 3.48Å
58	G	94.6	Very high	91.2	Very high	12 Å²	12	40.8 Å²	40.8	12%	0.124	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-44.3	173.4	0	0	0	0	0	112.3	E54 E55 A56 K61 F62	E54-G58 PolarHBondContact O-N 2.84Å; E55-G58 PolarHBondContact O-N 3.09Å; A56-G58 VanDerWaalsContact C-N 3.32Å; A56-G58 PolarHBondContact O-N 3.27Å; G58-K61 PolarHBondContact O-N 2.87Å; G58-F62 WeakPolarHBondContact O-CB 3.32Å; G58-F62 PolarHBondContact O-N 2.78Å
59	L	93.1	Very high	89.7	Confident	7 Å²	7	39.6 Å²	39.6	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-45.2	176.1	-179.4	64.8	0	0	0	112.5	E55 A56 G57 K61 F62 I63 G90 I94 L121 Y123	E55-L59 PolarHBondContact O-N 3.31Å; E55-L59 VanDerWaalsContact O-N 3.15Å; A56-L59 WeakPolarHBondContact O-CB 3.26Å; A56-L59 PolarHBondContact O-N 3.24Å; A56-L59 VanDerWaalsContact O-N 3.17Å; G57-L59 VanDerWaalsContact C-N 3.34Å; G57-L59 PolarHBondContact O-N 2.82Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 2.77Å; L59-F62 HydrophobicContact CD1-CD1 4.36Å; L59-F62 WeakPolarHBondContact O-CB 3.09Å; L59-F62 PolarHBondContact O-N 3.23Å; L59-I63 HydrophobicContact CD1-CD1 3.98Å; L59-I63 HydrophobicContact CD1-CG1 4.24Å; L59-I63 HydrophobicContact CD2-CD1 4.48Å; L59-I63 HydrophobicContact CG-CD1 3.88Å; L59-I63 WeakPolarHBondContact O-CG1 3.42Å; L59-I63 PolarHBondContact O-N 3.15Å; L59-G90 VanDerWaalsContact CD2-C 3.45Å; L59-I94 HydrophobicContact CB-CD1 3.86Å; L59-I94 HydrophobicContact CD2-CD1 3.61Å; L59-I94 HydrophobicContact CG-CD1 4.36Å; L59-L121 HydrophobicContact CD1-CB 4.22Å; L59-L121 HydrophobicContact CD1-CD1 3.9Å; L59-Y123 HydrophobicContact CB-CE1 4.36Å; L59-Y123 HydrophobicContact CD1-CD1 4.01Å; L59-Y123 HydrophobicContact CD1-CG 4.27Å
60	I	94.1	Very high	88.2	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-44.6	178.5	-69	165.4	0	0	0	110.7	A56 G57 S64 A87 L155 Y161 V169 V171 P189 F190	A56-I60 WeakPolarHBondContact O-CG1 3.5Å; A56-I60 PolarHBondContact O-N 3.48Å; G57-I60 PolarHBondContact O-N 3.5Å; I60-S64 PolarHBondContact O-N 2.86Å; I60-S64 VanDerWaalsContact O-N 3.12Å; I60-A87 HydrophobicContact CG1-CB 4.2Å; I60-L155 HydrophobicContact CD1-CB 4.31Å; I60-L155 HydrophobicContact CD1-CD1 4.13Å; I60-L155 HydrophobicContact CD1-CG 4.07Å; I60-L155 HydrophobicContact CG1-CD1 4.07Å; I60-L155 HydrophobicContact CG2-CD1 4.15Å; I60-Y161 HydrophobicContact CG2-CD2 4.19Å; I60-Y161 HydrophobicContact CG2-CE2 3.57Å; I60-Y161 PolarHBondContact O-OH 3.23Å; I60-V169 HydrophobicContact CG2-CG1 4.06Å; I60-V171 HydrophobicContact CD1-CG2 3.47Å; I60-V171 VanDerWaalsContact CD1-CG2 3.47Å; I60-P189 HydrophobicContact CG2-CG 4.33Å; I60-F190 HydrophobicContact CG2-CE2 4.08Å; I60-F190 HydrophobicContact CG2-CZ 4.36Å
61	K	92.6	Very high	86.5	Confident	61 Å²	61	46.8 Å²	46.8	27%	0.265	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-45.4	177.7	-171.4	174.4	-173.3	168.5	0	111.9	G57 G58 L59 I63 S64 L65 F190 N192	G57-K61 WeakPolarHBondContact O-CB 3.38Å; G57-K61 PolarHBondContact O-N 3.22Å; G58-K61 PolarHBondContact O-N 2.87Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 2.77Å; K61-I63 PolarHBondContact O-N 2.99Å; K61-S64 WeakPolarHBondContact O-CB 3.38Å; K61-S64 PolarHBondContact O-N 3.25Å; K61-L65 HydrophobicContact CG-CD1 4.28Å; K61-L65 WeakPolarHBondContact O-CG 3.32Å; K61-L65 PolarHBondContact O-N 2.95Å; K61-F190 HydrophobicContact CB-CE1 4.4Å; K61-F190 HydrophobicContact CG-CD1 4.29Å; K61-F190 HydrophobicContact CG-CE1 4.11Å; K61-N192 PolarHBondContact NZ-OD1 3.1Å
62	F	90.7	Very high	85.3	Confident	30 Å²	30	50.4 Å²	50.4	13%	0.132	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-44.6	177.2	174.7	-114.4	0	0	0	112.7	G58 L59 L65 K66 L121 E125	G58-F62 WeakPolarHBondContact O-CB 3.32Å; G58-F62 PolarHBondContact O-N 2.78Å; L59-F62 HydrophobicContact CD1-CD1 4.36Å; L59-F62 WeakPolarHBondContact O-CB 3.09Å; L59-F62 PolarHBondContact O-N 3.23Å; F62-L65 PolarHBondContact O-N 2.86Å; F62-K66 HydrophobicContact CD1-CD 4.41Å; F62-K66 HydrophobicContact CE1-CD 3.97Å; F62-K66 HydrophobicContact CE2-CD 4.13Å; F62-K66 HydrophobicContact CZ-CD 3.89Å; F62-K66 PolarHBondContact O-N 3.02Å; F62-L121 HydrophobicContact CD1-CD1 4.13Å; F62-L121 HydrophobicContact CE1-CD1 4.05Å; F62-E125 WeakPolarHBondContact CB-OE2 3.43Å; F62-E125 WeakPolarHBondContact CD2-OE2 3.5Å
63	I	90.1	Very high	83.7	Confident	11 Å²	11	53.4 Å²	53.4	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-42.3	178.9	-68.7	168.5	0	0	0	110.7	L59 K61 L65 K66 L69 A87 L121	L59-I63 HydrophobicContact CD1-CD1 3.98Å; L59-I63 HydrophobicContact CD1-CG1 4.24Å; L59-I63 HydrophobicContact CD2-CD1 4.48Å; L59-I63 HydrophobicContact CG-CD1 3.88Å; L59-I63 WeakPolarHBondContact O-CG1 3.42Å; L59-I63 PolarHBondContact O-N 3.15Å; K61-I63 PolarHBondContact O-N 2.99Å; I63-L65 PolarHBondContact O-N 3.2Å; I63-K66 PolarHBondContact O-N 3.37Å; I63-L69 HydrophobicContact CG2-CD2 4.11Å; I63-A87 HydrophobicContact CB-CB 4.39Å; I63-A87 HydrophobicContact CD1-CB 3.89Å; I63-A87 HydrophobicContact CG2-CB 4.27Å; I63-L121 HydrophobicContact CD1-CD1 3.9Å; I63-L121 HydrophobicContact CG1-CD1 3.62Å
64	S	90	Very high	82	Confident	17 Å²	17	55.1 Å²	55.1	12%	0.119	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-45.3	177.2	-175	0	0	0	0	111.9	I60 K61 K66 H67 Y161	I60-S64 PolarHBondContact O-N 2.86Å; I60-S64 VanDerWaalsContact O-N 3.12Å; K61-S64 WeakPolarHBondContact O-CB 3.38Å; K61-S64 PolarHBondContact O-N 3.25Å; S64-K66 VanDerWaalsContact C-N 3.28Å; S64-K66 PolarHBondContact O-N 3.06Å; S64-H67 PolarHBondContact O-N 3.13Å; S64-H67 VanDerWaalsContact O-N 3.14Å; S64-Y161 PolarHBondContact N-OH 3.15Å
65	L	85.9	Confident	79.5	Confident	103 Å²	103	64.3 Å²	64.3	54%	0.539	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-27.5	179.3	-70.1	173.9	0	0	0	113.6	K61 F62 I63 H67	K61-L65 HydrophobicContact CG-CD1 4.28Å; K61-L65 WeakPolarHBondContact O-CG 3.32Å; K61-L65 PolarHBondContact O-N 2.95Å; F62-L65 PolarHBondContact O-N 2.86Å; I63-L65 PolarHBondContact O-N 3.2Å; L65-H67 PolarHBondContact O-N 3.34Å
66	K	81.9	Confident	77.1	Confident	119 Å²	119	64.9 Å²	64.9	52%	0.517	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-3.5	176.2	-79	-174.1	164.3	-175.5	0	114	F62 I63 S64 N68	F62-K66 HydrophobicContact CD1-CD 4.41Å; F62-K66 HydrophobicContact CE1-CD 3.97Å; F62-K66 HydrophobicContact CE2-CD 4.13Å; F62-K66 HydrophobicContact CZ-CD 3.89Å; F62-K66 PolarHBondContact O-N 3.02Å; I63-K66 PolarHBondContact O-N 3.37Å; S64-K66 VanDerWaalsContact C-N 3.28Å; S64-K66 PolarHBondContact O-N 3.06Å; K66-N68 PolarHBondContact O-N 3.16Å
67	H	65.4	Low	74.5	Confident	174 Å²	174	66.9 Å²	66.9	81%	0.806	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	19.6	-177.5	-68	-74.2	0	0	0	114.9	S64 L65	S64-H67 PolarHBondContact O-N 3.13Å; S64-H67 VanDerWaalsContact O-N 3.14Å; L65-H67 PolarHBondContact O-N 3.34Å
68	N	64.2	Low	72.3	Confident	104 Å²	104	75.2 Å²	75.2	56%	0.556	41%	0.406	S	S	*	.			trans	-109.5	59.1	-179.6	-154	20.6	0	0	0	110	K66 N70	K66-N68 PolarHBondContact O-N 3.16Å; N68-N70 VanDerWaalsContact C-N 3.3Å; N68-N70 PolarHBondContact O-N 2.82Å
69	L	65.3	Low	70.2	Confident	56 Å²	56	77.2 Å²	77.2	29%	0.293	41%	0.414	S	S	.	.			trans	-74.2	87.1	174.9	-64.8	177.3	0	0	0	108.4	I63 S71 Y161	I63-L69 HydrophobicContact CG2-CD2 4.11Å; L69-S71 PolarHBondContact O-N 2.94Å; L69-Y161 HydrophobicContact CD2-CD1 4.15Å; L69-Y161 HydrophobicContact CD2-CE1 3.29Å; L69-Y161 WeakPolarHBondContact CD2-OH 3.37Å
70	N	68	Low	68.2	Low	71 Å²	71	86.4 Å²	86.4	38%	0.38	45%	0.454	S	S	.	.			trans	-69.1	86.2	168.2	-68	-39.1	0	0	0	108.6	N68 D86	N68-N70 VanDerWaalsContact C-N 3.3Å; N68-N70 PolarHBondContact O-N 2.82Å; N70-D86 WeakPolarHBondContact CB-OD2 3.49Å; N70-D86 PolarHBondContact ND2-OD2 2.98Å
71	S	63.4	Low	66.6	Low	80 Å²	80	94.1 Å²	94.1	56%	0.559	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.1	175.1	64.2	0	0	0	0	110.4	L69	L69-S71 PolarHBondContact O-N 2.94Å
72	R	70.2	Confident	65.5	Low	142 Å²	142	93.1 Å²	93.1	54%	0.536	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	168.6	169.3	-54	-179.9	-164.5	-174.8	8.1	108.2	P83 L84 D86	R72-P83 CarbonylContact O-C 3.6Å; R72-P83 WeakPolarHBondContact O-CA 3.38Å; R72-L84 WeakPolarHBondContact CA-O 3.14Å; R72-L84 PolarHBondContact N-O 3.41Å; R72-L84 PolarHBondContact O-N 3.12Å; R72-D86 IonicContact NH2-OD1 2.88Å; R72-D86 PolarHBondContact NH2-OD1 3.02Å
73	T	65.1	Low	65	Low	63 Å²	63	92.9 Å²	92.9	39%	0.387	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.9	172.2	-53.2	0	0	0	0	109.1	H75 Q81	T73-H75 PolarHBondContact O-N 2.63Å; T73-Q81 HydrophobicContact CG2-CB 3.42Å; T73-Q81 VanDerWaalsContact CG2-CB 3.42Å; T73-Q81 HydrophobicContact CG2-CG 3.61Å
74	K	61.7	Low	64.5	Low	37 Å²	37	93.5 Å²	93.5	16%	0.161	49%	0.491	C	S	.	.			trans	-62.9	121.6	173.3	-64.5	-172.2	-176.7	-164.6	0	109.9	E82 L84 E111 E112	K74-E82 HydrophobicContact CD-CB 4.03Å; K74-E82 HydrophobicContact CG-CB 4.33Å; K74-E82 PolarHBondContact N-O 2.87Å; K74-L84 HydrophobicContact CG-CB 3.91Å; K74-E111 VanDerWaalsContact NZ-CD 3.34Å; K74-E111 IonicContact NZ-OE1 3.33Å; K74-E111 PolarHBondContact NZ-OE1 3.34Å; K74-E112 WeakPolarHBondContact CE-OE1 3.37Å; K74-E112 IonicContact NZ-OE1 3.82Å; K74-E112 PolarHBondContact NZ-OE1 3.43Å; K74-E112 IonicContact NZ-OE2 3.37Å
75	H	46.3	Very low	64.3	Low	193 Å²	193	92.7 Å²	92.7	89%	0.894	49%	0.485	S	S	*	.	S	Bend	trans	-85.3	118.8	167.9	-74	-62.9	0	0	0	109.1	T73	T73-H75 PolarHBondContact O-N 2.63Å
76	G	43.9	Very low	64.4	Low	82 Å²	82	89.1 Å²	89.1	85%	0.845	47%	0.467	S	S	*	.	S	Bend	trans	106.8	11.7	169.8	0	0	0	0	0	117.8
77	G	42.4	Very low	64.9	Low	42 Å²	42	83.5 Å²	83.5	43%	0.433	44%	0.442	S	S	.	.			trans	-72.6	145.6	172.3	0	0	0	0	0	113.2	L79	G77-L79 PolarHBondContact O-N 3.26Å
78	I	48.9	Very low	66.2	Low	175 Å²	175	75.2 Å²	75.2	90%	0.897	40%	0.404	S	S	*	.	S	Bend	trans	-66.1	-22.8	168.2	-62.8	172.1	0	0	0	110.8
79	L	49.9	Very low	67.5	Low	54 Å²	54	71.4 Å²	71.4	28%	0.283	38%	0.384	S	S	.	.	S	Bend	trans	-95.1	160.3	-179.6	-62.4	174.9	0	0	0	111.7	G77 E82 T277	G77-L79 PolarHBondContact O-N 3.26Å; L79-E82 WeakPolarHBondContact CD1-OE1 3.34Å; L79-T277 HydrophobicContact CD2-CG2 4.23Å
80	K	51.8	Low	68.8	Low	200 Å²	200	68.8 Å²	68.8	87%	0.87	37%	0.37	S	S	*	.	S	Bend	trans	-41.3	139.3	170.9	-162.6	179.5	-175.6	-175.2	0	109.9	E82	K80-E82 PolarHBondContact O-N 2.76Å
81	Q	60.4	Low	70	Confident	162 Å²	162	65.4 Å²	65.4	76%	0.757	35%	0.352	S	S	*	.			trans	-34.8	97.9	-179.8	-79.1	-177.4	9.8	0	0	113.7	T73	T73-Q81 HydrophobicContact CG2-CB 3.42Å; T73-Q81 VanDerWaalsContact CG2-CB 3.42Å; T73-Q81 HydrophobicContact CG2-CG 3.61Å
82	E	70.1	Confident	71.6	Confident	41 Å²	41	61.9 Å²	61.9	19%	0.192	33%	0.327	C	S	.	.			trans	-82.9	140.2	-179.8	-81.2	163.7	178.3	0	0	110.6	K74 L79 K80 R279	K74-E82 HydrophobicContact CD-CB 4.03Å; K74-E82 HydrophobicContact CG-CB 4.33Å; K74-E82 PolarHBondContact N-O 2.87Å; L79-E82 WeakPolarHBondContact CD1-OE1 3.34Å; K80-E82 PolarHBondContact O-N 2.76Å; E82-R279 IonicContact OE1-CZ 3.78Å; E82-R279 IonicContact OE1-NH1 2.75Å; E82-R279 PolarHBondContact OE1-NH1 2.75Å; E82-R279 IonicContact OE1-NH2 4Å; E82-R279 PolarHBondContact OE1-NH2 2.83Å; E82-R279 IonicContact OE2-CZ 3.06Å; E82-R279 VanDerWaalsContact OE2-CZ 3.26Å; E82-R279 IonicContact OE2-NH1 3.68Å; E82-R279 PolarHBondContact OE2-NH1 3.21Å; E82-R279 IonicContact OE2-NH2 3.78Å; E82-R279 PolarHBondContact OE2-NH2 3.26Å
83	P	79.5	Confident	72.6	Confident	24 Å²	24	56.8 Å²	56.8	16%	0.156	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	149.9	173.6	28.9	-33.2	0	0	0	110.7	R72 T158 Q159 T162	R72-P83 CarbonylContact O-C 3.6Å; R72-P83 WeakPolarHBondContact O-CA 3.38Å; P83-T158 HydrophobicContact CB-CG2 4.02Å; P83-T158 HydrophobicContact CG-CG2 3.84Å; P83-T158 WeakPolarHBondContact O-CG2 3.1Å; P83-Q159 HydrophobicContact CG-CB 4.44Å; P83-T162 HydrophobicContact CB-CG2 4.32Å
84	L	81	Confident	74	Confident	24 Å²	24	55.1 Å²	55.1	13%	0.126	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.6	171.1	175.6	71.4	0	0	0	107.4	R72 K74 D88 L89 E112	R72-L84 WeakPolarHBondContact CA-O 3.14Å; R72-L84 PolarHBondContact N-O 3.41Å; R72-L84 PolarHBondContact O-N 3.12Å; K74-L84 HydrophobicContact CG-CB 3.91Å; L84-D88 HydrophobicContact CD1-CB 3.64Å; L84-L89 HydrophobicContact CD1-CD2 4.17Å; L84-L89 HydrophobicContact CD1-CG 4.21Å; L84-L89 HydrophobicContact CD2-CD1 4.44Å; L84-L89 HydrophobicContact CD2-CD2 4.26Å; L84-L89 HydrophobicContact CD2-CG 4.39Å; L84-L89 HydrophobicContact CG-CG 4.4Å; L84-E112 VanDerWaalsContact CD1-CD 3.47Å; L84-E112 HydrophobicContact CD1-CG 4.42Å; L84-E112 WeakPolarHBondContact CD1-OE1 3.36Å; L84-E112 WeakPolarHBondContact CD1-OE2 3.26Å
85	T	85.8	Confident	75.7	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	166.7	-179.3	75	0	0	0	0	111.2	A87 D88 L89 T158 Y161 T162	T85-A87 PolarHBondContact O-N 3.34Å; T85-A87 VanDerWaalsContact O-N 3.14Å; T85-A87 WeakPolarHBondContact OG1-CB 3.3Å; T85-A87 PolarHBondContact OG1-N 3.49Å; T85-A87 VanDerWaalsContact OG1-N 3.16Å; T85-D88 WeakPolarHBondContact CA-OD2 3.36Å; T85-D88 VanDerWaalsContact CB-OD2 3.28Å; T85-D88 WeakPolarHBondContact CB-OD2 3.41Å; T85-D88 PolarHBondContact N-OD2 3.17Å; T85-D88 PolarHBondContact O-N 2.93Å; T85-D88 PolarHBondContact OG1-N 3.27Å; T85-D88 PolarHBondContact OG1-OD2 3.38Å; T85-L89 PolarHBondContact O-N 2.98Å; T85-T158 HydrophobicContact CG2-CG2 4.2Å; T85-Y161 HydrophobicContact CG2-CD1 4.16Å; T85-Y161 HydrophobicContact CG2-CE1 4.3Å; T85-T162 HydrophobicContact CG2-CG2 3.84Å
86	D	87.6	Confident	78	Confident	28 Å²	28	45.4 Å²	45.4	15%	0.15	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-20.1	170.6	-67.7	-19.7	0	0	0	111.9	N70 R72 G90	N70-D86 WeakPolarHBondContact CB-OD2 3.49Å; N70-D86 PolarHBondContact ND2-OD2 2.98Å; R72-D86 IonicContact NH2-OD1 2.88Å; R72-D86 PolarHBondContact NH2-OD1 3.02Å; D86-G90 PolarHBondContact O-N 2.68Å
87	A	91.5	Very high	80.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-73.8	-41.3	175.2	0	0	0	0	0	112.5	I60 I63 T85 G90 S91 L155 Y161	I60-A87 HydrophobicContact CG1-CB 4.2Å; I63-A87 HydrophobicContact CB-CB 4.39Å; I63-A87 HydrophobicContact CD1-CB 3.89Å; I63-A87 HydrophobicContact CG2-CB 4.27Å; T85-A87 PolarHBondContact O-N 3.34Å; T85-A87 VanDerWaalsContact O-N 3.14Å; T85-A87 WeakPolarHBondContact OG1-CB 3.3Å; T85-A87 PolarHBondContact OG1-N 3.49Å; T85-A87 VanDerWaalsContact OG1-N 3.16Å; A87-G90 PolarHBondContact O-N 3.3Å; A87-S91 WeakPolarHBondContact O-CB 3Å; A87-S91 PolarHBondContact O-N 3.18Å; A87-L155 HydrophobicContact CB-CD1 3.73Å; A87-Y161 HydrophobicContact CB-CE1 3.64Å; A87-Y161 WeakPolarHBondContact CB-OH 3.47Å
88	D	92.7	Very high	82.9	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-49.9	174.7	-54.4	-102.5	0	0	0	110.2	L84 T85 G90 S91 H92 E112 L155 T158	L84-D88 HydrophobicContact CD1-CB 3.64Å; T85-D88 WeakPolarHBondContact CA-OD2 3.36Å; T85-D88 VanDerWaalsContact CB-OD2 3.28Å; T85-D88 WeakPolarHBondContact CB-OD2 3.41Å; T85-D88 PolarHBondContact N-OD2 3.17Å; T85-D88 PolarHBondContact O-N 2.93Å; T85-D88 PolarHBondContact OG1-N 3.27Å; T85-D88 PolarHBondContact OG1-OD2 3.38Å; D88-G90 PolarHBondContact O-N 2.92Å; D88-S91 PolarHBondContact O-N 3.18Å; D88-H92 VanDerWaalsContact O-CB 3.27Å; D88-H92 WeakPolarHBondContact O-CB 3.38Å; D88-H92 PolarHBondContact O-N 3.5Å; D88-E112 HydrophobicContact CB-CG 4.45Å; D88-L155 HydrophobicContact CB-CB 4.46Å; D88-L155 WeakPolarHBondContact OD1-CB 3.48Å; D88-T158 VanDerWaalsContact OD1-CG2 3.28Å; D88-T158 WeakPolarHBondContact OD1-CG2 3.29Å; D88-T158 PolarHBondContact OD1-OG1 2.61Å; D88-T158 WeakPolarHBondContact OD2-CG2 3.34Å
89	L	92	Very high	85.1	Confident	24 Å²	24	33.9 Å²	33.9	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-39.3	179.9	-66.4	179	0	0	0	112.6	L84 T85 Q93 P116 L120	L84-L89 HydrophobicContact CD1-CD2 4.17Å; L84-L89 HydrophobicContact CD1-CG 4.21Å; L84-L89 HydrophobicContact CD2-CD1 4.44Å; L84-L89 HydrophobicContact CD2-CD2 4.26Å; L84-L89 HydrophobicContact CD2-CG 4.39Å; L84-L89 HydrophobicContact CG-CG 4.4Å; T85-L89 PolarHBondContact O-N 2.98Å; L89-Q93 WeakPolarHBondContact O-CB 3.11Å; L89-Q93 PolarHBondContact O-N 2.84Å; L89-P116 HydrophobicContact CB-CG 4.16Å; L89-L120 HydrophobicContact CB-CD1 3.65Å
90	G	91.5	Very high	87.2	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-67.8	-45.7	178	0	0	0	0	0	112.7	L59 D86 A87 D88 Q93 I94 L120	L59-G90 VanDerWaalsContact CD2-C 3.45Å; D86-G90 PolarHBondContact O-N 2.68Å; A87-G90 PolarHBondContact O-N 3.3Å; D88-G90 PolarHBondContact O-N 2.92Å; G90-Q93 PolarHBondContact O-N 3.41Å; G90-I94 WeakPolarHBondContact O-CG1 3.15Å; G90-I94 PolarHBondContact O-N 2.8Å; G90-I94 VanDerWaalsContact O-N 3.08Å; G90-L120 VanDerWaalsContact N-CD1 3.32Å
91	S	94.7	Very high	89.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-47.2	174.5	174.2	0	0	0	0	111.2	A56 A87 D88 Q93 I94 I95 P154	A56-S91 WeakPolarHBondContact CB-OG 3.35Å; A87-S91 WeakPolarHBondContact O-CB 3Å; A87-S91 PolarHBondContact O-N 3.18Å; D88-S91 PolarHBondContact O-N 3.18Å; S91-Q93 VanDerWaalsContact C-N 3.32Å; S91-Q93 PolarHBondContact O-N 3.34Å; S91-I94 PolarHBondContact O-N 3.09Å; S91-I95 WeakPolarHBondContact O-CG1 3.26Å; S91-I95 PolarHBondContact O-N 3.4Å; S91-P154 VanDerWaalsContact CB-O 3.32Å; S91-P154 WeakPolarHBondContact CB-O 3.39Å; S91-P154 WeakPolarHBondContact OG-CA 3.43Å; S91-P154 WeakPolarHBondContact OG-CB 3.11Å; S91-P154 PolarHBondContact OG-O 2.98Å
92	H	95.5	Very high	90.8	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.028	15%	0.146	C	C	.	.	H	α-helix	trans	-54.4	-48.3	174.5	173.5	75.1	0	0	0	112	D88 I94 I95 V96 S110 E112 P154	D88-H92 VanDerWaalsContact O-CB 3.27Å; D88-H92 WeakPolarHBondContact O-CB 3.38Å; D88-H92 PolarHBondContact O-N 3.5Å; H92-I94 PolarHBondContact O-N 3.02Å; H92-I95 PolarHBondContact O-N 2.98Å; H92-V96 VanDerWaalsContact CE1-CG2 3.4Å; H92-V96 WeakPolarHBondContact CE1-CG2 3.12Å; H92-V96 WeakPolarHBondContact O-CB 3.21Å; H92-V96 WeakPolarHBondContact O-CG2 3.45Å; H92-V96 PolarHBondContact O-N 3.42Å; H92-S110 PolarHBondContact CE1-OG 3.42Å; H92-S110 WeakPolarHBondContact ND1-CB 3.41Å; H92-S110 PolarHBondContact ND1-OG 3.45Å; H92-E112 HydrophobicContact CB-CB 3.89Å; H92-E112 HydrophobicContact CB-CG 4.18Å; H92-E112 PolarHBondContact CE1-O 2.9Å; H92-E112 PolarHBondContact ND1-O 2.89Å; H92-P154 HydrophobicContact CB-CB 3.98Å; H92-P154 HydrophobicContact CB-CG 4.03Å
93	Q	93.2	Very high	92	Very high	35 Å²	35	21.3 Å²	21.3	16%	0.164	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-45.2	-179.7	-173.4	176.1	20.4	0	0	112	L89 G90 S91 S97 L115 P116	L89-Q93 WeakPolarHBondContact O-CB 3.11Å; L89-Q93 PolarHBondContact O-N 2.84Å; G90-Q93 PolarHBondContact O-N 3.41Å; S91-Q93 VanDerWaalsContact C-N 3.32Å; S91-Q93 PolarHBondContact O-N 3.34Å; Q93-S97 WeakPolarHBondContact O-CB 3.31Å; Q93-S97 PolarHBondContact O-N 2.85Å; Q93-S97 PolarHBondContact O-OG 2.86Å; Q93-L115 HydrophobicContact CB-CD2 4.47Å; Q93-L115 HydrophobicContact CG-CD2 4.39Å; Q93-P116 HydrophobicContact CB-CG 4.28Å
94	I	93.8	Very high	92.5	Very high	27 Å²	27	25.3 Å²	25.3	14%	0.138	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-52.8	177.6	-73	168.4	0	0	0	110	L52 E55 A56 L59 G90 S91 H92 G98 Y123	L52-I94 HydrophobicContact CD2-CG2 4.12Å; E55-I94 HydrophobicContact CB-CG2 3.97Å; E55-I94 HydrophobicContact CG-CD1 4.37Å; E55-I94 HydrophobicContact CG-CG2 3.93Å; A56-I94 HydrophobicContact CB-CG2 4.3Å; L59-I94 HydrophobicContact CB-CD1 3.86Å; L59-I94 HydrophobicContact CD2-CD1 3.61Å; L59-I94 HydrophobicContact CG-CD1 4.36Å; G90-I94 WeakPolarHBondContact O-CG1 3.15Å; G90-I94 PolarHBondContact O-N 2.8Å; G90-I94 VanDerWaalsContact O-N 3.08Å; S91-I94 PolarHBondContact O-N 3.09Å; H92-I94 PolarHBondContact O-N 3.02Å; I94-G98 WeakPolarHBondContact O-CA 3.44Å; I94-G98 PolarHBondContact O-N 2.92Å; I94-Y123 HydrophobicContact CD1-CE1 4.28Å
95	I	96.6	Very high	93.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.5	-53.8	-172.8	-61.4	164.1	0	0	0	110.8	L52 A56 S91 H92 G98 L99 V152 P154 V171 I173	L52-I95 HydrophobicContact CB-CG1 4.41Å; A56-I95 HydrophobicContact CB-CD1 3.98Å; A56-I95 HydrophobicContact CB-CG1 3.99Å; S91-I95 WeakPolarHBondContact O-CG1 3.26Å; S91-I95 PolarHBondContact O-N 3.4Å; H92-I95 PolarHBondContact O-N 2.98Å; I95-G98 PolarHBondContact O-N 3.13Å; I95-L99 HydrophobicContact CG2-CD1 3.94Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 WeakPolarHBondContact O-CG 3.24Å; I95-L99 PolarHBondContact O-N 3.48Å; I95-V152 HydrophobicContact CB-CG1 4.39Å; I95-V152 HydrophobicContact CD1-CG1 3.84Å; I95-V152 HydrophobicContact CG2-CG1 3.84Å; I95-V152 HydrophobicContact CG2-CG2 3.94Å; I95-P154 HydrophobicContact CD1-CB 4.35Å; I95-V171 HydrophobicContact CD1-CG1 3.54Å; I95-I173 HydrophobicContact CD1-CD1 4.22Å; I95-I173 HydrophobicContact CD1-CG1 4.48Å; I95-I173 HydrophobicContact CG1-CD1 4.21Å; I95-I173 HydrophobicContact CG2-CD1 3.72Å; I95-I173 HydrophobicContact CG2-CG1 4.31Å
96	V	95.7	Very high	93.5	Very high	26 Å²	26	30.2 Å²	30.2	16%	0.158	19%	0.188	C	C	.	.	H	α-helix	trans	-68.7	-43.7	-173.3	175.6	0	0	0	0	111.3	H92 G98 L99 A100 V108 L115	H92-V96 VanDerWaalsContact CE1-CG2 3.4Å; H92-V96 WeakPolarHBondContact CE1-CG2 3.12Å; H92-V96 WeakPolarHBondContact O-CB 3.21Å; H92-V96 WeakPolarHBondContact O-CG2 3.45Å; H92-V96 PolarHBondContact O-N 3.42Å; V96-G98 VanDerWaalsContact C-N 3.33Å; V96-G98 PolarHBondContact O-N 3.06Å; V96-L99 PolarHBondContact O-N 3.37Å; V96-A100 VanDerWaalsContact O-CB 3.28Å; V96-A100 WeakPolarHBondContact O-CB 3.24Å; V96-A100 PolarHBondContact O-N 2.81Å; V96-V108 HydrophobicContact CG2-CG1 4.13Å; V96-L115 HydrophobicContact CB-CD2 4.41Å; V96-L115 HydrophobicContact CG1-CD2 4.44Å
97	S	93.3	Very high	93.8	Very high	50 Å²	50	32.5 Å²	32.5	35%	0.35	20%	0.2	S	C	.	.	H	α-helix	trans	-66.8	-38.7	176.4	-48.5	0	0	0	0	111.2	Q93 L99 S101	Q93-S97 WeakPolarHBondContact O-CB 3.31Å; Q93-S97 PolarHBondContact O-N 2.85Å; Q93-S97 PolarHBondContact O-OG 2.86Å; S97-L99 VanDerWaalsContact C-N 3.35Å; S97-L99 PolarHBondContact O-N 2.91Å; S97-S101 VanDerWaalsContact O-CB 3.28Å; S97-S101 WeakPolarHBondContact O-CB 3.33Å; S97-S101 PolarHBondContact O-N 2.86Å
98	G	94.4	Very high	94.1	Very high	7 Å²	7	34.3 Å²	34.3	7%	0.072	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-34.3	179.1	0	0	0	0	0	113.7	R48 I94 I95 V96 A102	R48-G98 PolarHBondContact NE-O 3.35Å; R48-G98 PolarHBondContact NH2-O 2.94Å; I94-G98 WeakPolarHBondContact O-CA 3.44Å; I94-G98 PolarHBondContact O-N 2.92Å; I95-G98 PolarHBondContact O-N 3.13Å; V96-G98 VanDerWaalsContact C-N 3.33Å; V96-G98 PolarHBondContact O-N 3.06Å; G98-A102 WeakPolarHBondContact O-CB 3.44Å
99	L	96.3	Very high	94.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-75.4	-49.9	172.5	-72.8	174.1	0	0	0	111.4	L45 L52 I95 V96 S97 S101 A102 F103 L106 V108 I150	L45-L99 HydrophobicContact CD1-CD2 4.04Å; L52-L99 HydrophobicContact CD1-CD2 3.9Å; L52-L99 HydrophobicContact CD1-CG 3.76Å; I95-L99 HydrophobicContact CG2-CD1 3.94Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 WeakPolarHBondContact O-CG 3.24Å; I95-L99 PolarHBondContact O-N 3.48Å; V96-L99 PolarHBondContact O-N 3.37Å; S97-L99 VanDerWaalsContact C-N 3.35Å; S97-L99 PolarHBondContact O-N 2.91Å; L99-S101 PolarHBondContact O-N 2.97Å; L99-A102 PolarHBondContact O-N 3.28Å; L99-F103 HydrophobicContact CD2-CD2 4.36Å; L99-F103 PolarHBondContact O-N 3.24Å; L99-L106 HydrophobicContact CD2-CD2 4.5Å; L99-V108 HydrophobicContact CB-CG2 4.17Å; L99-V108 HydrophobicContact CD1-CG1 4.18Å; L99-V108 HydrophobicContact CD1-CG2 3.93Å; L99-I150 HydrophobicContact CD1-CG2 4.02Å
100	A	93.7	Very high	94.4	Very high	54 Å²	54	36.6 Å²	36.6	45%	0.446	22%	0.218	S	C	.	.	H	α-helix	trans	-58.7	-36.3	179.8	0	0	0	0	0	112.4	V96 P104	V96-A100 VanDerWaalsContact O-CB 3.28Å; V96-A100 WeakPolarHBondContact O-CB 3.24Å; V96-A100 PolarHBondContact O-N 2.81Å; A100-P104 WeakPolarHBondContact O-CA 3.5Å
101	S	93.4	Very high	94.6	Very high	100 Å²	100	37.4 Å²	37.4	70%	0.699	22%	0.222	S	C	*	.	H	α-helix	trans	-69.5	-30.7	175.6	179.7	0	0	0	0	113.5	S97 L99	S97-S101 VanDerWaalsContact O-CB 3.28Å; S97-S101 WeakPolarHBondContact O-CB 3.33Å; S97-S101 PolarHBondContact O-N 2.86Å; L99-S101 PolarHBondContact O-N 2.97Å
102	A	93.6	Very high	94.3	Very high	29 Å²	29	38.3 Å²	38.3	24%	0.24	23%	0.226	C	C	.	.	H	α-helix	trans	-95.4	-28.4	-175.6	0	0	0	0	0	112.9	R48 G98 L99	R48-A102 HydrophobicContact CG-CB 4.26Å; G98-A102 WeakPolarHBondContact O-CB 3.44Å; L99-A102 PolarHBondContact O-N 3.28Å
103	F	95.5	Very high	93.6	Very high	10 Å²	10	45 Å²	45	4%	0.044	26%	0.257	C	S	.	.			trans	-142.1	76.2	-175.1	-53.7	-80.1	0	0	0	109.9	T40 R44 L45 R48 L99 E105 L106 I145	T40-F103 HydrophobicContact CG2-CD1 3.78Å; T40-F103 HydrophobicContact CG2-CE1 3.61Å; R44-F103 HydrophobicContact CG-CZ 4.13Å; L45-F103 HydrophobicContact CB-CE1 4.38Å; L45-F103 HydrophobicContact CB-CE2 4.4Å; L45-F103 HydrophobicContact CB-CZ 4Å; L45-F103 HydrophobicContact CD1-CD2 3.68Å; L45-F103 HydrophobicContact CD1-CE2 3.54Å; L45-F103 HydrophobicContact CD1-CG 4.24Å; L45-F103 HydrophobicContact CD1-CZ 3.99Å; R48-F103 HydrophobicContact CB-CE2 3.94Å; R48-F103 HydrophobicContact CG-CE2 4.04Å; L99-F103 HydrophobicContact CD2-CD2 4.36Å; L99-F103 PolarHBondContact O-N 3.24Å; F103-E105 VanDerWaalsContact C-N 3.28Å; F103-E105 PolarHBondContact O-N 3.34Å; F103-L106 HydrophobicContact CB-CB 3.7Å; F103-L106 HydrophobicContact CB-CD2 3.93Å; F103-L106 HydrophobicContact CB-CG 4.49Å; F103-L106 HydrophobicContact CD2-CD2 4.42Å; F103-L106 HydrophobicContact CG-CD2 4.31Å; F103-L106 VanDerWaalsContact O-CB 3.29Å; F103-L106 WeakPolarHBondContact O-CB 3.36Å; F103-L106 PolarHBondContact O-N 2.04Å; F103-L106 VanDerWaalsContact O-N 3.1Å; F103-I145 HydrophobicContact CB-CD1 4.03Å
104	P	91.5	Very high	92.5	Very high	109 Å²	109	51 Å²	51	71%	0.708	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-29	-171.6	-25	35.3	0	0	0	115.1	A100	A100-P104 WeakPolarHBondContact O-CA 3.5Å
105	E	92.5	Very high	91.2	Very high	113 Å²	113	54 Å²	54	53%	0.528	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.2	179.6	-58.1	-169.3	120.4	0	0	113.4	F103 L107 I145	F103-E105 VanDerWaalsContact C-N 3.28Å; F103-E105 PolarHBondContact O-N 3.34Å; E105-L107 PolarHBondContact O-N 2.99Å; E105-I145 HydrophobicContact CB-CD1 4.03Å; E105-I145 HydrophobicContact CB-CG1 4.34Å; E105-I145 HydrophobicContact CB-CG2 3.79Å; E105-I145 WeakPolarHBondContact OE2-CG2 3.13Å
106	L	94.3	Very high	89.5	Confident	15 Å²	15	55.1 Å²	55.1	8%	0.079	31%	0.308	C	S	.	.			trans	-75.7	126.8	-176.4	-175.2	63.4	0	0	0	110.9	L45 L99 F103 V108 I145 L148 I150	L45-L106 HydrophobicContact CD1-CD2 3.57Å; L45-L106 HydrophobicContact CD2-CD1 4.45Å; L45-L106 HydrophobicContact CD2-CD2 4.22Å; L99-L106 HydrophobicContact CD2-CD2 4.5Å; F103-L106 HydrophobicContact CB-CB 3.7Å; F103-L106 HydrophobicContact CB-CD2 3.93Å; F103-L106 HydrophobicContact CB-CG 4.49Å; F103-L106 HydrophobicContact CD2-CD2 4.42Å; F103-L106 HydrophobicContact CG-CD2 4.31Å; F103-L106 VanDerWaalsContact O-CB 3.29Å; F103-L106 WeakPolarHBondContact O-CB 3.36Å; F103-L106 PolarHBondContact O-N 2.04Å; F103-L106 VanDerWaalsContact O-N 3.1Å; L106-V108 HydrophobicContact CG-CG2 4.42Å; L106-V108 PolarHBondContact O-N 3.43Å; L106-I145 HydrophobicContact CB-CD1 4.04Å; L106-I145 HydrophobicContact CB-CG1 4.12Å; L106-I145 HydrophobicContact CD1-CG1 4.19Å; L106-L148 HydrophobicContact CD1-CB 3.66Å; L106-L148 HydrophobicContact CD1-CD1 4.47Å; L106-I150 HydrophobicContact CD1-CG1 4.13Å; L106-I150 HydrophobicContact CD2-CD1 4.22Å; L106-I150 HydrophobicContact CD2-CG1 3.52Å; L106-I150 HydrophobicContact CG-CG1 3.89Å
107	L	95.1	Very high	87.8	Confident	76 Å²	76	60.1 Å²	60.1	40%	0.398	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	117.4	174	-179.6	63.3	0	0	0	110.6	E105 R109 V149 I150	E105-L107 PolarHBondContact O-N 2.99Å; L107-R109 HydrophobicContact CG-CG 4.43Å; L107-V149 HydrophobicContact CD2-CG1 4.2Å; L107-V149 HydrophobicContact CD2-CG2 4.11Å; L107-V149 HydrophobicContact CG-CG1 4.34Å; L107-I150 PolarHBondContact O-N 2.88Å
108	V	96	Very high	86.4	Confident	38 Å²	38	64.7 Å²	64.7	23%	0.23	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.4	176.2	-173.9	0	0	0	0	110	V96 L99 L106 I150 V152	V96-V108 HydrophobicContact CG2-CG1 4.13Å; L99-V108 HydrophobicContact CB-CG2 4.17Å; L99-V108 HydrophobicContact CD1-CG1 4.18Å; L99-V108 HydrophobicContact CD1-CG2 3.93Å; L106-V108 HydrophobicContact CG-CG2 4.42Å; L106-V108 PolarHBondContact O-N 3.43Å; V108-I150 HydrophobicContact CG1-CB 4.34Å; V108-I150 HydrophobicContact CG1-CG2 4.4Å; V108-I150 HydrophobicContact CG2-CB 4.25Å; V108-V152 HydrophobicContact CG1-CG2 3.86Å
109	R	96	Very high	84.8	Confident	66 Å²	66	73.4 Å²	73.4	25%	0.249	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	99.2	176.3	-62.9	-165.5	65	123.8	8.4	109.2	L107 V149 I150 W151 V152 S309	L107-R109 HydrophobicContact CG-CG 4.43Å; R109-V149 HydrophobicContact CG-CG1 4.18Å; R109-I150 PolarHBondContact N-O 3.08Å; R109-W151 HydrophobicContact CB-CD2 3.91Å; R109-W151 HydrophobicContact CB-CE3 3.64Å; R109-W151 HydrophobicContact CB-CH2 4.28Å; R109-W151 HydrophobicContact CB-CZ2 4.48Å; R109-W151 HydrophobicContact CB-CZ3 3.84Å; R109-W151 CarbonylContact O-C 3.41Å; R109-W151 WeakPolarHBondContact O-CA 3.38Å; R109-V152 PolarHBondContact O-N 3.46Å; R109-S309 PolarHBondContact NH1-O 3.12Å
110	S	96.3	Very high	83.2	Confident	6 Å²	6	76.2 Å²	76.2	4%	0.042	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	152.9	179.2	179.2	0	0	0	0	111.4	H92 E112 H113 V152	H92-S110 PolarHBondContact CE1-OG 3.42Å; H92-S110 WeakPolarHBondContact ND1-CB 3.41Å; H92-S110 PolarHBondContact ND1-OG 3.45Å; S110-E112 CarbonylContact C-O 3.57Å; S110-E112 WeakPolarHBondContact CB-O 3.44Å; S110-E112 PolarHBondContact OG-N 3.49Å; S110-E112 PolarHBondContact OG-O 3.5Å; S110-H113 PolarHBondContact O-CE1 2.89Å; S110-H113 PolarHBondContact O-ND1 2.69Å; S110-V152 CarbonylContact C-O 3.45Å; S110-V152 VanDerWaalsContact CA-O 3.27Å; S110-V152 WeakPolarHBondContact CA-O 3.35Å
111	E	94.5	Very high	81.7	Confident	19 Å²	19	76.7 Å²	76.7	9%	0.089	40%	0.395	C	S	.	.	S	Bend	trans	-53.7	-54.1	168.6	178.6	160.5	-179.3	0	0	111.7	K74 H113 V152 R279 W281	K74-E111 VanDerWaalsContact NZ-CD 3.34Å; K74-E111 IonicContact NZ-OE1 3.33Å; K74-E111 PolarHBondContact NZ-OE1 3.34Å; E111-H113 PolarHBondContact O-CE1 2.9Å; E111-H113 VanDerWaalsContact O-CE1 3.29Å; E111-V152 PolarHBondContact N-O 2.73Å; E111-R279 IonicContact OE1-NH1 3.08Å; E111-W281 HydrophobicContact CB-CD2 3.88Å; E111-W281 HydrophobicContact CB-CG 3.99Å; E111-W281 HydrophobicContact CB-CZ2 4Å; E111-W281 VanDerWaalsContact CD-NE1 3.3Å; E111-W281 HydrophobicContact CG-CD2 4.48Å; E111-W281 HydrophobicContact CG-CZ2 3.77Å; E111-W281 PolarHBondContact OE2-NE1 3.44Å
112	E	89.1	Confident	80.3	Confident	18 Å²	18	77.7 Å²	77.7	8%	0.084	39%	0.392	C	S	.	.			trans	-76.8	147.2	173.8	-51	-51.9	151.1	0	0	110.5	K74 L84 D88 H92 S110 P154	K74-E112 WeakPolarHBondContact CE-OE1 3.37Å; K74-E112 IonicContact NZ-OE1 3.82Å; K74-E112 PolarHBondContact NZ-OE1 3.43Å; K74-E112 IonicContact NZ-OE2 3.37Å; L84-E112 VanDerWaalsContact CD1-CD 3.47Å; L84-E112 HydrophobicContact CD1-CG 4.42Å; L84-E112 WeakPolarHBondContact CD1-OE1 3.36Å; L84-E112 WeakPolarHBondContact CD1-OE2 3.26Å; D88-E112 HydrophobicContact CB-CG 4.45Å; H92-E112 HydrophobicContact CB-CB 3.89Å; H92-E112 HydrophobicContact CB-CG 4.18Å; H92-E112 PolarHBondContact CE1-O 2.9Å; H92-E112 PolarHBondContact ND1-O 2.89Å; S110-E112 CarbonylContact C-O 3.57Å; S110-E112 WeakPolarHBondContact CB-O 3.44Å; S110-E112 PolarHBondContact OG-N 3.49Å; S110-E112 PolarHBondContact OG-O 3.5Å; E112-P154 HydrophobicContact CB-CG 4.48Å; E112-P154 HydrophobicContact CG-CG 3.76Å
113	H	80.1	Confident	79	Confident	146 Å²	146	78.2 Å²	78.2	68%	0.676	39%	0.388	S	S	*	.			trans	-120.8	-24	-174.3	-59.9	-32.5	0	0	0	113.3	S110 E111	S110-H113 PolarHBondContact O-CE1 2.89Å; S110-H113 PolarHBondContact O-ND1 2.69Å; E111-H113 PolarHBondContact O-CE1 2.9Å; E111-H113 VanDerWaalsContact O-CE1 3.29Å
114	E	71.3	Confident	77.4	Confident	162 Å²	162	86.7 Å²	86.7	76%	0.757	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-98.5	116.2	-177.9	-67.1	-175.7	179.9	0	0	110.3
115	L	66.5	Low	76.2	Confident	89 Å²	89	85.5 Å²	85.5	47%	0.466	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-69.8	132.1	167.2	-73	171.4	0	0	0	108.9	Q93 V96 T117	Q93-L115 HydrophobicContact CB-CD2 4.47Å; Q93-L115 HydrophobicContact CG-CD2 4.39Å; V96-L115 HydrophobicContact CB-CD2 4.41Å; V96-L115 HydrophobicContact CG1-CD2 4.44Å; L115-T117 PolarHBondContact O-N 2.75Å
116	P	61.3	Low	75.3	Confident	25 Å²	25	85.5 Å²	85.5	16%	0.162	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-56.7	136.3	172	-24.2	33.9	0	0	0	111.3	L89 Q93 H118 L120	L89-P116 HydrophobicContact CB-CG 4.16Å; Q93-P116 HydrophobicContact CB-CG 4.28Å; P116-H118 WeakPolarHBondContact CB-O 3.25Å; P116-H118 PolarHBondContact O-N 2.98Å; P116-H118 VanDerWaalsContact O-N 3.11Å; P116-L120 HydrophobicContact CB-CD1 4.07Å; P116-L120 HydrophobicContact CB-CD2 4.06Å; P116-L120 HydrophobicContact CB-CG 3.79Å; P116-L120 HydrophobicContact CG-CD1 3.51Å; P116-L120 HydrophobicContact CG-CD2 4.37Å; P116-L120 HydrophobicContact CG-CG 3.8Å
117	T	59.6	Low	74.9	Confident	131 Å²	131	86.1 Å²	86.1	80%	0.804	43%	0.427	S	S	*	.	S	Bend	trans	-60.7	-21.9	177.9	-44.3	0	0	0	0	113.1	L115	L115-T117 PolarHBondContact O-N 2.75Å
118	H	62.8	Low	74.6	Confident	145 Å²	145	85.6 Å²	85.6	67%	0.671	42%	0.42	S	S	*	.	S	Bend	trans	-132.8	149.8	178.9	-57.2	-61	0	0	0	109.6	P116 L120	P116-H118 WeakPolarHBondContact CB-O 3.25Å; P116-H118 PolarHBondContact O-N 2.98Å; P116-H118 VanDerWaalsContact O-N 3.11Å; H118-L120 PolarHBondContact O-N 2.93Å
119	R	62	Low	74.3	Confident	191 Å²	191	89.7 Å²	89.7	72%	0.721	44%	0.436	S	S	*	.			trans	-57.2	115.8	169.3	-175.9	-176.6	-82.7	-178.4	-6.6	107.4	L121	R119-L121 VanDerWaalsContact C-N 3.25Å; R119-L121 PolarHBondContact O-N 2.95Å
120	L	61.6	Low	74	Confident	59 Å²	59	87 Å²	87	31%	0.309	43%	0.427	S	S	.	.	S	Bend	trans	-60.1	-36.8	-169.3	-76	169	0	0	0	112.3	L89 G90 P116 H118	L89-L120 HydrophobicContact CB-CD1 3.65Å; G90-L120 VanDerWaalsContact N-CD1 3.32Å; P116-L120 HydrophobicContact CB-CD1 4.07Å; P116-L120 HydrophobicContact CB-CD2 4.06Å; P116-L120 HydrophobicContact CB-CG 3.79Å; P116-L120 HydrophobicContact CG-CD1 3.51Å; P116-L120 HydrophobicContact CG-CD2 4.37Å; P116-L120 HydrophobicContact CG-CG 3.8Å; H118-L120 PolarHBondContact O-N 2.93Å
121	L	62.3	Low	73.7	Confident	63 Å²	63	91.6 Å²	91.6	33%	0.33	45%	0.452	S	S	.	.			trans	-148.5	136.9	179.6	-69.2	167.7	0	0	0	111	L59 F62 I63 R119 Y123	L59-L121 HydrophobicContact CD1-CB 4.22Å; L59-L121 HydrophobicContact CD1-CD1 3.9Å; F62-L121 HydrophobicContact CD1-CD1 4.13Å; F62-L121 HydrophobicContact CE1-CD1 4.05Å; I63-L121 HydrophobicContact CD1-CD1 3.9Å; I63-L121 HydrophobicContact CG1-CD1 3.62Å; R119-L121 VanDerWaalsContact C-N 3.25Å; R119-L121 PolarHBondContact O-N 2.95Å; L121-Y123 PolarHBondContact O-N 2.73Å
122	D	63.8	Low	73.5	Confident	121 Å²	121	91.6 Å²	91.6	65%	0.647	45%	0.451	S	S	*	.			trans	-84.6	93.8	159.8	-166	36.6	0	0	0	106.9
123	Y	67.6	Low	73.4	Confident	40 Å²	40	95.7 Å²	95.7	16%	0.157	47%	0.47	C	S	.	.			trans	-102.3	134.7	-179.2	92.9	-85.7	0	0	0	109.8	E55 L59 I94 L121 E125 V127	E55-Y123 WeakPolarHBondContact CG-OH 3.29Å; E55-Y123 PolarHBondContact O-OH 2.81Å; L59-Y123 HydrophobicContact CB-CE1 4.36Å; L59-Y123 HydrophobicContact CD1-CD1 4.01Å; L59-Y123 HydrophobicContact CD1-CG 4.27Å; I94-Y123 HydrophobicContact CD1-CE1 4.28Å; L121-Y123 PolarHBondContact O-N 2.73Å; Y123-E125 HydrophobicContact CD2-CB 4.22Å; Y123-V127 HydrophobicContact CE2-CG2 3.83Å; Y123-V127 WeakPolarHBondContact OH-CG2 3.49Å
124	K	61.1	Low	73.8	Confident	188 Å²	188	92.6 Å²	92.6	82%	0.817	47%	0.466	S	S	*	.			trans	-118.5	13.9	-177.6	-66.8	-175.6	179.7	177.9	0	112.7
125	E	66.7	Low	74.8	Confident	85 Å²	85	85.9 Å²	85.9	40%	0.397	44%	0.437	S	S	.	.	S	Bend	trans	-75.4	152.7	-176.5	-157.6	163.1	-144.7	0	0	110.9	F62 Y123 V127	F62-E125 WeakPolarHBondContact CB-OE2 3.43Å; F62-E125 WeakPolarHBondContact CD2-OE2 3.5Å; Y123-E125 HydrophobicContact CD2-CB 4.22Å; E125-V127 PolarHBondContact O-N 2.58Å
126	S	73.8	Confident	76	Confident	113 Å²	113	82.1 Å²	82.1	79%	0.79	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-64.1	117	179.5	56.9	0	0	0	0	110.3
127	V	84.6	Confident	77.3	Confident	27 Å²	27	82.5 Å²	82.5	16%	0.164	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-75.9	137.1	171.5	176.9	0	0	0	0	108.8	E54 Y123 E125 H129	E54-V127 HydrophobicContact CB-CG1 4.12Å; E54-V127 WeakPolarHBondContact O-CG1 3.4Å; Y123-V127 HydrophobicContact CE2-CG2 3.83Å; Y123-V127 WeakPolarHBondContact OH-CG2 3.49Å; E125-V127 PolarHBondContact O-N 2.58Å; V127-H129 PolarHBondContact O-CD2 3.33Å; V127-H129 PolarHBondContact O-N 2.92Å
128	Y	89	Confident	78.6	Confident	65 Å²	65	83.4 Å²	83.4	26%	0.255	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-67.5	129.6	169.7	170.6	-102.5	0	0	0	109	E54 H187 N192	E54-Y128 VanDerWaalsContact CB-O 3.31Å; E54-Y128 WeakPolarHBondContact CB-O 2.97Å; E54-Y128 HydrophobicContact CG-CD1 4.45Å; Y128-H187 AromaticContact CD1-CE1 3.78Å; Y128-N192 HydrophobicContact CD1-CB 4.48Å; Y128-N192 HydrophobicContact CD2-CB 3.66Å; Y128-N192 WeakPolarHBondContact CE1-O 3.29Å; Y128-N192 HydrophobicContact CE2-CB 3.91Å; Y128-N192 WeakPolarHBondContact CE2-O 3.36Å; Y128-N192 HydrophobicContact CG-CB 3.96Å; Y128-N192 PolarHBondContact OH-O 3.36Å
129	H	90.7	Very high	79.9	Confident	124 Å²	124	81.9 Å²	81.9	57%	0.574	42%	0.416	S	S	*	.			trans	-118.9	116.6	174.7	-65.9	-60.2	0	0	0	109.4	E54 V127	E54-H129 WeakPolarHBondContact OE2-CA 3.48Å; E54-H129 IonicContact OE2-ND1 3.13Å; V127-H129 PolarHBondContact O-CD2 3.33Å; V127-H129 PolarHBondContact O-N 2.92Å
130	S	89.7	Confident	81.4	Confident	9 Å²	9	75.4 Å²	75.4	6%	0.063	40%	0.396	C	S	.	.			trans	-71.8	150.5	171.7	61.2	0	0	0	0	110.9	E54 F132	E54-S130 WeakPolarHBondContact OE1-CB 3.1Å; E54-S130 PolarHBondContact OE1-N 2.64Å; E54-S130 PolarHBondContact OE1-OG 3.34Å; E54-S130 PolarHBondContact OE2-N 2.84Å; S130-F132 VanDerWaalsContact O-CD1 3.29Å; S130-F132 WeakPolarHBondContact O-CD1 3.35Å; S130-F132 PolarHBondContact O-N 3.48Å
131	D	90.4	Very high	82.9	Confident	103 Å²	103	76.1 Å²	76.1	55%	0.551	40%	0.399	S	S	*	.			trans	-78.9	62.4	168.7	-179.3	31.9	0	0	0	110.5	Q133 S134	D131-Q133 VanDerWaalsContact C-N 3.28Å; D131-Q133 PolarHBondContact O-N 2.93Å; D131-S134 VanDerWaalsContact CG-OG 3.23Å; D131-S134 PolarHBondContact O-OG 3.3Å; D131-S134 WeakPolarHBondContact OD2-CB 3.44Å; D131-S134 PolarHBondContact OD2-OG 3.46Å
132	F	89.1	Confident	84.4	Confident	19 Å²	19	79 Å²	79	8%	0.083	41%	0.41	C	S	.	.			trans	-71.1	-26.7	-179.6	66.1	-92.4	0	0	0	111.9	T47 I50 H51 S130 S134 S135 L136 W196	T47-F132 HydrophobicContact CG2-CE2 3.62Å; T47-F132 HydrophobicContact CG2-CZ 3.89Å; I50-F132 HydrophobicContact CD1-CB 4.02Å; I50-F132 HydrophobicContact CD1-CD2 4.23Å; I50-F132 HydrophobicContact CD1-CG 4.12Å; I50-F132 HydrophobicContact CG2-CB 4.26Å; I50-F132 HydrophobicContact CG2-CD1 3.71Å; I50-F132 HydrophobicContact CG2-CE1 4.35Å; I50-F132 HydrophobicContact CG2-CG 4Å; H51-F132 AromaticContact CD2-CE1 3.52Å; H51-F132 AromaticContact CD2-CZ 3.83Å; H51-F132 AromaticContact CE1-CZ 3.79Å; H51-F132 AromaticContact NE2-CE1 3.15Å; H51-F132 WeakPolarHBondContact NE2-CE1 3.34Å; H51-F132 AromaticContact NE2-CZ 3.11Å; H51-F132 WeakPolarHBondContact NE2-CZ 3.12Å; S130-F132 VanDerWaalsContact O-CD1 3.29Å; S130-F132 WeakPolarHBondContact O-CD1 3.35Å; S130-F132 PolarHBondContact O-N 3.48Å; F132-S134 VanDerWaalsContact C-N 3.29Å; F132-S134 PolarHBondContact O-N 2.89Å; F132-S135 PolarHBondContact O-N 3.49Å; F132-L136 HydrophobicContact CD2-CD1 3.59Å; F132-L136 HydrophobicContact CD2-CG 4.27Å; F132-L136 HydrophobicContact CE2-CD1 3.96Å; F132-L136 PolarHBondContact O-N 3.35Å; F132-L136 VanDerWaalsContact O-N 3.09Å; F132-W196 HydrophobicContact CB-CZ2 3.89Å
133	Q	88.4	Confident	85.9	Confident	104 Å²	104	73.9 Å²	73.9	49%	0.486	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.6	-175.8	-179.1	62.6	34.9	0	0	112	D131 S135 L136	D131-Q133 VanDerWaalsContact C-N 3.28Å; D131-Q133 PolarHBondContact O-N 2.93Å; Q133-S135 PolarHBondContact O-N 3.43Å; Q133-L136 PolarHBondContact O-N 3Å
134	S	88.4	Confident	87.2	Confident	82 Å²	82	72.4 Å²	72.4	57%	0.573	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.6	174.8	65.3	0	0	0	0	113.4	D131 F132	D131-S134 VanDerWaalsContact CG-OG 3.23Å; D131-S134 PolarHBondContact O-OG 3.3Å; D131-S134 WeakPolarHBondContact OD2-CB 3.44Å; D131-S134 PolarHBondContact OD2-OG 3.46Å; F132-S134 VanDerWaalsContact C-N 3.29Å; F132-S134 PolarHBondContact O-N 2.89Å
135	S	92.1	Very high	88.8	Confident	21 Å²	21	63.6 Å²	63.6	15%	0.147	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-12.8	-179	-61.1	0	0	0	0	113.5	F132 Q133 L203	F132-S135 PolarHBondContact O-N 3.49Å; Q133-S135 PolarHBondContact O-N 3.43Å; S135-L203 WeakPolarHBondContact CB-O 3.07Å
136	L	91.3	Very high	90.1	Very high	9 Å²	9	63.8 Å²	63.8	5%	0.047	35%	0.346	C	S	.	.	S	Bend	trans	-85.7	120.9	179.6	-77.6	178.2	0	0	0	111.8	R43 L46 T47 F132 Q133 W196	R43-L136 HydrophobicContact CG-CD1 4.5Å; R43-L136 PolarHBondContact NH1-O 2.83Å; L46-L136 HydrophobicContact CD2-CD2 3.88Å; T47-L136 WeakPolarHBondContact OG1-CD1 3.39Å; F132-L136 HydrophobicContact CD2-CD1 3.59Å; F132-L136 HydrophobicContact CD2-CG 4.27Å; F132-L136 HydrophobicContact CE2-CD1 3.96Å; F132-L136 PolarHBondContact O-N 3.35Å; F132-L136 VanDerWaalsContact O-N 3.09Å; Q133-L136 PolarHBondContact O-N 3Å; L136-W196 HydrophobicContact CD2-CH2 3.61Å; L136-W196 HydrophobicContact CD2-CZ2 4.23Å; L136-W196 HydrophobicContact CD2-CZ3 3.99Å; L136-W196 HydrophobicContact CG-CH2 3.99Å; L136-W196 HydrophobicContact CG-CZ2 4.25Å
137	P	88.4	Confident	91	Very high	33 Å²	33	60.9 Å²	60.9	21%	0.214	32%	0.322	C	S	.	.			trans	-74.9	150	-177.6	33	-37.7	0	0	0	112.1	R43 D139 W198 Y201 A202	R43-P137 PolarHBondContact NH1-O 3.37Å; P137-D139 VanDerWaalsContact C-N 3.29Å; P137-D139 PolarHBondContact O-N 2.94Å; P137-W198 HydrophobicContact CG-CZ3 4.33Å; P137-Y201 HydrophobicContact CB-CE1 3.98Å; P137-Y201 HydrophobicContact CB-CE2 4.25Å; P137-Y201 VanDerWaalsContact CB-OH 3.29Å; P137-Y201 WeakPolarHBondContact CB-OH 3.28Å; P137-Y201 HydrophobicContact CG-CD1 3.69Å; P137-Y201 HydrophobicContact CG-CE1 3.08Å; P137-Y201 HydrophobicContact CG-CE2 4.08Å; P137-Y201 HydrophobicContact CG-CG 4.39Å; P137-Y201 WeakPolarHBondContact CG-OH 3.32Å; P137-A202 HydrophobicContact CG-CB 4.1Å
138	N	87.6	Confident	91.6	Very high	150 Å²	150	59.7 Å²	59.7	80%	0.802	32%	0.315	S	S	*	.	S	Bend	trans	-64	-30	-174	-69.7	-25.2	0	0	0	114
139	D	90.1	Very high	92	Very high	114 Å²	114	57 Å²	57	61%	0.61	31%	0.305	S	S	*	.			trans	-74.1	148.6	178.6	-38	-46.4	0	0	0	110.8	P137 Y201	P137-D139 VanDerWaalsContact C-N 3.29Å; P137-D139 PolarHBondContact O-N 2.94Å; D139-Y201 WeakPolarHBondContact CB-OH 3.43Å; D139-Y201 PolarHBondContact O-OH 3.06Å; D139-Y201 PolarHBondContact OD2-OH 3.26Å
140	D	92.2	Very high	92.4	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.294	28%	0.278	S	S	.	.			trans	-123.3	156.6	-175	-157.8	-6.8	0	0	0	110.6	S41 R43 F142	S41-D140 WeakPolarHBondContact CB-OD2 3.28Å; S41-D140 VanDerWaalsContact OG-CG 3.25Å; S41-D140 PolarHBondContact OG-OD1 3.04Å; S41-D140 PolarHBondContact OG-OD2 3.06Å; R43-D140 HydrophobicContact CB-CB 4.46Å; R43-D140 WeakPolarHBondContact CB-OD1 3.16Å; R43-D140 PolarHBondContact N-OD1 3.18Å; D140-F142 HydrophobicContact CB-CD2 4.48Å; D140-F142 HydrophobicContact CB-CE2 3.82Å; D140-F142 HydrophobicContact CB-CZ 4.25Å
141	L	93.5	Very high	92.8	Very high	73 Å²	73	50.8 Å²	50.8	38%	0.382	28%	0.275	S	S	.	.			trans	-113.4	123.7	173	-179.1	63.3	0	0	0	108.3	V42 V143 W198	V42-L141 HydrophobicContact CB-CB 4.16Å; V42-L141 WeakPolarHBondContact CB-O 3.24Å; V42-L141 HydrophobicContact CG2-CB 4.16Å; V42-L141 HydrophobicContact CG2-CD2 4.17Å; V42-L141 HydrophobicContact CG2-CG 4.18Å; V42-L141 WeakPolarHBondContact CG2-O 3.32Å; V42-L141 PolarHBondContact N-O 2.9Å; L141-V143 HydrophobicContact CD1-CG1 4.43Å; L141-V143 HydrophobicContact CD2-CG1 4.28Å; L141-V143 HydrophobicContact CG-CG1 4.01Å; L141-W198 HydrophobicContact CB-CH2 4.29Å; L141-W198 HydrophobicContact CB-CZ2 3.65Å
142	F	94.7	Very high	93.2	Very high	125 Å²	125	45.9 Å²	45.9	55%	0.548	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.7	175.6	-66.6	-89.3	0	0	0	109.7	T40 D140	T40-F142 WeakPolarHBondContact O-CA 3.22Å; D140-F142 HydrophobicContact CB-CD2 4.48Å; D140-F142 HydrophobicContact CB-CE2 3.82Å; D140-F142 HydrophobicContact CB-CZ 4.25Å
143	V	94.7	Very high	93.6	Very high	12 Å²	12	45.1 Å²	45.1	7%	0.073	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.7	179.2	-63.7	0	0	0	0	110.1	V39 T40 V42 L141 I145 L148 L177	V39-V143 CarbonylContact C-O 3.54Å; V39-V143 WeakPolarHBondContact CA-O 3.41Å; T40-V143 PolarHBondContact N-O 3.27Å; T40-V143 PolarHBondContact O-N 3.42Å; V42-V143 HydrophobicContact CG2-CG2 3.76Å; L141-V143 HydrophobicContact CD1-CG1 4.43Å; L141-V143 HydrophobicContact CD2-CG1 4.28Å; L141-V143 HydrophobicContact CG-CG1 4.01Å; V143-I145 PolarHBondContact O-N 3.19Å; V143-L148 HydrophobicContact CG2-CD1 3.59Å; V143-L148 HydrophobicContact CG2-CD2 3.82Å; V143-L148 HydrophobicContact CG2-CG 3.67Å; V143-L177 HydrophobicContact CB-CD1 4.3Å; V143-L177 HydrophobicContact CG1-CD1 4.21Å; V143-L177 HydrophobicContact CG1-CD2 4.18Å
144	P	94.7	Very high	94	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.058	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	131.4	170	-22	34.7	0	0	0	110	L35 T146 D147	L35-P144 HydrophobicContact CB-CG 4.43Å; L35-P144 HydrophobicContact CD2-CG 3.41Å; L35-P144 VanDerWaalsContact CD2-CG 3.41Å; P144-T146 PolarHBondContact O-N 3.35Å; P144-D147 HydrophobicContact CB-CB 4.36Å; P144-D147 WeakPolarHBondContact O-CB 3.27Å; P144-D147 PolarHBondContact O-N 2.9Å
145	I	94.5	Very high	94.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-59.2	-30	178.7	-168.8	161.3	0	0	0	112.3	E38 F103 E105 L106 V143 D147 L148	E38-I145 HydrophobicContact CB-CG2 4.46Å; E38-I145 WeakPolarHBondContact O-CG2 3.48Å; E38-I145 PolarHBondContact O-N 3.29Å; F103-I145 HydrophobicContact CB-CD1 4.03Å; E105-I145 HydrophobicContact CB-CD1 4.03Å; E105-I145 HydrophobicContact CB-CG1 4.34Å; E105-I145 HydrophobicContact CB-CG2 3.79Å; E105-I145 WeakPolarHBondContact OE2-CG2 3.13Å; L106-I145 HydrophobicContact CB-CD1 4.04Å; L106-I145 HydrophobicContact CB-CG1 4.12Å; L106-I145 HydrophobicContact CD1-CG1 4.19Å; V143-I145 PolarHBondContact O-N 3.19Å; I145-D147 PolarHBondContact O-N 2.88Å; I145-L148 WeakPolarHBondContact O-CB 3.12Å; I145-L148 PolarHBondContact O-N 2.58Å
146	T	93.3	Very high	94.7	Very high	89 Å²	89	35.9 Å²	35.9	55%	0.546	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-67.9	-18.2	177.7	54.9	0	0	0	0	114	P144 L148	P144-T146 PolarHBondContact O-N 3.35Å; T146-L148 VanDerWaalsContact C-N 3.32Å
147	D	94.5	Very high	94.9	Very high	53 Å²	53	35.9 Å²	35.9	28%	0.283	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-88.6	-8.8	178.5	-69.5	-0.7	0	0	0	112.1	P144 I145 L177 H178	P144-D147 HydrophobicContact CB-CB 4.36Å; P144-D147 WeakPolarHBondContact O-CB 3.27Å; P144-D147 PolarHBondContact O-N 2.9Å; I145-D147 PolarHBondContact O-N 2.88Å; D147-L177 HydrophobicContact CB-CD1 3.86Å; D147-H178 WeakPolarHBondContact CB-NE2 3.48Å; D147-H178 PolarHBondContact O-N 3.3Å; D147-H178 IonicContact OD1-NE2 2.78Å; D147-H178 IonicContact OD2-CD2 3.36Å; D147-H178 IonicContact OD2-CE1 3.24Å; D147-H178 IonicContact OD2-NE2 2.71Å; D147-H178 PolarHBondContact OD2-NE2 2.87Å
148	L	96.7	Very high	95.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.4	-179.9	-66.8	175.8	0	0	0	111.9	L45 L106 V143 I145 T146 I175 V176 L177 I182	L45-L148 HydrophobicContact CD2-CD1 3.74Å; L106-L148 HydrophobicContact CD1-CB 3.66Å; L106-L148 HydrophobicContact CD1-CD1 4.47Å; V143-L148 HydrophobicContact CG2-CD1 3.59Å; V143-L148 HydrophobicContact CG2-CD2 3.82Å; V143-L148 HydrophobicContact CG2-CG 3.67Å; I145-L148 WeakPolarHBondContact O-CB 3.12Å; I145-L148 PolarHBondContact O-N 2.58Å; T146-L148 VanDerWaalsContact C-N 3.32Å; L148-I175 HydrophobicContact CD2-CG2 3.98Å; L148-V176 VanDerWaalsContact CA-O 3.32Å; L148-V176 WeakPolarHBondContact CA-O 3.29Å; L148-V176 WeakPolarHBondContact CD2-O 3.47Å; L148-L177 HydrophobicContact CD2-CB 4.27Å; L148-L177 HydrophobicContact CD2-CD1 4.17Å; L148-I182 HydrophobicContact CD2-CD1 4.33Å
149	V	97.3	Very high	95.5	Very high	9 Å²	9	31.4 Å²	31.4	6%	0.055	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.4	168.9	-175.1	0	0	0	0	108.3	L107 R109 V176	L107-V149 HydrophobicContact CD2-CG1 4.2Å; L107-V149 HydrophobicContact CD2-CG2 4.11Å; L107-V149 HydrophobicContact CG-CG1 4.34Å; R109-V149 HydrophobicContact CG-CG1 4.18Å; V149-V176 HydrophobicContact CB-CB 4.34Å; V149-V176 PolarHBondContact N-O 3.06Å; V149-V176 WeakPolarHBondContact O-CB 3.32Å; V149-V176 PolarHBondContact O-N 3.33Å
150	I	98.1	Very high	95.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.1	170.3	-56	-53.9	0	0	0	109.5	L45 L99 L106 L107 V108 R109 V152 I173 C174 I175	L45-I150 HydrophobicContact CD2-CD1 4.05Å; L99-I150 HydrophobicContact CD1-CG2 4.02Å; L106-I150 HydrophobicContact CD1-CG1 4.13Å; L106-I150 HydrophobicContact CD2-CD1 4.22Å; L106-I150 HydrophobicContact CD2-CG1 3.52Å; L106-I150 HydrophobicContact CG-CG1 3.89Å; L107-I150 PolarHBondContact O-N 2.88Å; V108-I150 HydrophobicContact CG1-CB 4.34Å; V108-I150 HydrophobicContact CG1-CG2 4.4Å; V108-I150 HydrophobicContact CG2-CB 4.25Å; R109-I150 PolarHBondContact N-O 3.08Å; I150-V152 HydrophobicContact CG2-CG2 3.63Å; I150-I173 HydrophobicContact CG2-CG2 3.69Å; I150-C174 CarbonylContact C-O 3.58Å; I150-C174 VanDerWaalsContact CA-O 3.24Å; I150-C174 WeakPolarHBondContact CA-O 3.5Å; I150-I175 HydrophobicContact CD1-CB 3.98Å; I150-I175 HydrophobicContact CD1-CG1 3.68Å; I150-I175 HydrophobicContact CD1-CG2 3.96Å
151	W	98.4	Very high	95.8	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.9	165.3	-69.3	87	0	0	0	109.8	R109 C174 R280 W281 C284 F307	R109-W151 HydrophobicContact CB-CD2 3.91Å; R109-W151 HydrophobicContact CB-CE3 3.64Å; R109-W151 HydrophobicContact CB-CH2 4.28Å; R109-W151 HydrophobicContact CB-CZ2 4.48Å; R109-W151 HydrophobicContact CB-CZ3 3.84Å; R109-W151 CarbonylContact O-C 3.41Å; R109-W151 WeakPolarHBondContact O-CA 3.38Å; W151-C174 HydrophobicContact CB-CB 4.21Å; W151-C174 PolarHBondContact N-O 3.08Å; W151-C174 PolarHBondContact O-N 3.07Å; W151-R280 HydrophobicContact CD2-CB 4.09Å; W151-R280 HydrophobicContact CE3-CB 3.81Å; W151-R280 HydrophobicContact CH2-CB 3.83Å; W151-R280 HydrophobicContact CH2-CG 4.44Å; W151-R280 HydrophobicContact CZ2-CB 4.12Å; W151-R280 HydrophobicContact CZ3-CB 3.68Å; W151-W281 HydrophobicContact CE3-CB 4.33Å; W151-W281 HydrophobicContact CE3-CE3 4.02Å; W151-W281 AromaticContact CZ3-CE3 3.84Å; W151-W281 HydrophobicContact CZ3-CE3 3.84Å; W151-W281 HydrophobicContact CZ3-CZ3 4.35Å; W151-C284 HydrophobicContact CB-CB 3.93Å; W151-C284 HydrophobicContact CG-CB 4.31Å; W151-F307 PolarHBondContact NE1-O 3.33Å
152	V	98.5	Very high	95.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.1	-176.3	-177.8	0	0	0	0	109.9	I95 V108 R109 S110 E111 I150 M172 I173 W281	I95-V152 HydrophobicContact CB-CG1 4.39Å; I95-V152 HydrophobicContact CD1-CG1 3.84Å; I95-V152 HydrophobicContact CG2-CG1 3.84Å; I95-V152 HydrophobicContact CG2-CG2 3.94Å; V108-V152 HydrophobicContact CG1-CG2 3.86Å; R109-V152 PolarHBondContact O-N 3.46Å; S110-V152 CarbonylContact C-O 3.45Å; S110-V152 VanDerWaalsContact CA-O 3.27Å; S110-V152 WeakPolarHBondContact CA-O 3.35Å; E111-V152 PolarHBondContact N-O 2.73Å; I150-V152 HydrophobicContact CG2-CG2 3.63Å; V152-M172 WeakPolarHBondContact CA-O 3.19Å; V152-I173 HydrophobicContact CG1-CG1 4.45Å; V152-I173 HydrophobicContact CG2-CG2 4.45Å; V152-W281 VanDerWaalsContact O-CB 3.29Å; V152-W281 WeakPolarHBondContact O-CB 3.45Å
153	D	98.1	Very high	95.7	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	107.2	155.9	-179.7	-9	0	0	0	106.9	L155 D156 M172 W281	D153-L155 PolarHBondContact O-N 3.09Å; D153-L155 PolarHBondContact OD1-N 3.19Å; D153-D156 PolarHBondContact OD1-N 3.37Å; D153-D156 VanDerWaalsContact OD2-CA 3.26Å; D153-D156 WeakPolarHBondContact OD2-CA 3.5Å; D153-D156 VanDerWaalsContact OD2-CB 3.29Å; D153-D156 WeakPolarHBondContact OD2-CB 3.17Å; D153-M172 HydrophobicContact CB-CB 4.18Å; D153-M172 HydrophobicContact CB-CE 3.77Å; D153-M172 PolarHBondContact N-O 2.74Å; D153-M172 PolarHBondContact O-N 3.06Å; D153-M172 WeakPolarHBondContact OD2-CE 3.46Å; D153-W281 HydrophobicContact CB-CB 4.17Å; D153-W281 HydrophobicContact CB-CG 4.5Å
154	P	97.6	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-23	-176.9	28.2	-31.3	0	0	0	112.3	S91 H92 I95 E112	S91-P154 VanDerWaalsContact CB-O 3.32Å; S91-P154 WeakPolarHBondContact CB-O 3.39Å; S91-P154 WeakPolarHBondContact OG-CA 3.43Å; S91-P154 WeakPolarHBondContact OG-CB 3.11Å; S91-P154 PolarHBondContact OG-O 2.98Å; H92-P154 HydrophobicContact CB-CB 3.98Å; H92-P154 HydrophobicContact CB-CG 4.03Å; I95-P154 HydrophobicContact CD1-CB 4.35Å; E112-P154 HydrophobicContact CB-CG 4.48Å; E112-P154 HydrophobicContact CG-CG 3.76Å
155	L	97.6	Very high	95.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	90.9	177.7	-165.2	166.9	0	0	0	109.3	I60 A87 D88 D153 T158 Y161 V169 S170	I60-L155 HydrophobicContact CD1-CB 4.31Å; I60-L155 HydrophobicContact CD1-CD1 4.13Å; I60-L155 HydrophobicContact CD1-CG 4.07Å; I60-L155 HydrophobicContact CG1-CD1 4.07Å; I60-L155 HydrophobicContact CG2-CD1 4.15Å; A87-L155 HydrophobicContact CB-CD1 3.73Å; D88-L155 HydrophobicContact CB-CB 4.46Å; D88-L155 WeakPolarHBondContact OD1-CB 3.48Å; D153-L155 PolarHBondContact O-N 3.09Å; D153-L155 PolarHBondContact OD1-N 3.19Å; L155-T158 PolarHBondContact O-OG1 2.7Å; L155-Y161 HydrophobicContact CD1-CD1 4.09Å; L155-Y161 HydrophobicContact CD1-CE1 4.25Å; L155-Y161 HydrophobicContact CD1-CG 4.33Å; L155-Y161 HydrophobicContact CD2-CG 4.41Å; L155-V169 HydrophobicContact CD2-CG1 3.97Å; L155-V169 HydrophobicContact CG-CG1 4.12Å; L155-S170 CarbonylContact C-O 3.59Å; L155-S170 WeakPolarHBondContact CA-O 3.38Å
156	D	97.6	Very high	95.6	Very high	12 Å²	12	26 Å²	26	6%	0.064	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	133.8	169.9	177.2	40.7	0	0	0	109.6	D153 V169 S170 M172 G256 A257 G258	D153-D156 PolarHBondContact OD1-N 3.37Å; D153-D156 VanDerWaalsContact OD2-CA 3.26Å; D153-D156 WeakPolarHBondContact OD2-CA 3.5Å; D153-D156 VanDerWaalsContact OD2-CB 3.29Å; D153-D156 WeakPolarHBondContact OD2-CB 3.17Å; D156-V169 VanDerWaalsContact O-CA 3.31Å; D156-V169 WeakPolarHBondContact O-CA 3.34Å; D156-S170 PolarHBondContact N-O 3Å; D156-S170 PolarHBondContact O-N 3.28Å; D156-S170 VanDerWaalsContact O-N 3.08Å; D156-M172 HydrophobicContact CB-CE 3.71Å; D156-M172 HydrophobicContact CB-CG 4.34Å; D156-M172 HydrophobicContact CB-SD 4.21Å; D156-G256 VanDerWaalsContact CG-CA 3.5Å; D156-G256 VanDerWaalsContact OD1-CA 3.32Å; D156-G256 WeakPolarHBondContact OD1-CA 3.26Å; D156-G256 WeakPolarHBondContact OD2-CA 3.13Å; D156-A257 PolarHBondContact OD1-N 3.07Å; D156-A257 PolarHBondContact OD2-N 3.35Å; D156-G258 PolarHBondContact OD2-N 3.06Å
157	G	95.8	Very high	95.8	Very high	9 Å²	9	25.2 Å²	25.2	9%	0.093	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	37.5	-178.3	0	0	0	0	0	114.2	Q159 E160 Y161	G157-Q159 PolarHBondContact O-N 2.79Å; G157-E160 WeakPolarHBondContact CA-OE2 3.41Å; G157-E160 WeakPolarHBondContact O-CB 3.34Å; G157-E160 PolarHBondContact O-N 3.25Å; G157-E160 VanDerWaalsContact O-N 3.09Å; G157-Y161 PolarHBondContact O-N 3.46Å
158	T	94.4	Very high	96	Very high	14 Å²	14	24.4 Å²	24.4	9%	0.086	14%	0.135	C	C	.	.	H	α-helix	trans	-55	-37.2	176.6	-41.3	0	0	0	0	113	P83 T85 D88 L155 Y161 T162	P83-T158 HydrophobicContact CB-CG2 4.02Å; P83-T158 HydrophobicContact CG-CG2 3.84Å; P83-T158 WeakPolarHBondContact O-CG2 3.1Å; T85-T158 HydrophobicContact CG2-CG2 4.2Å; D88-T158 VanDerWaalsContact OD1-CG2 3.28Å; D88-T158 WeakPolarHBondContact OD1-CG2 3.29Å; D88-T158 PolarHBondContact OD1-OG1 2.61Å; D88-T158 WeakPolarHBondContact OD2-CG2 3.34Å; L155-T158 PolarHBondContact O-OG1 2.7Å; T158-Y161 WeakPolarHBondContact O-CB 3.38Å; T158-Y161 PolarHBondContact O-N 3.06Å; T158-T162 WeakPolarHBondContact O-CG2 3.33Å; T158-T162 PolarHBondContact O-N 3.32Å; T158-T162 PolarHBondContact O-OG1 2.92Å
159	Q	92.4	Very high	96	Very high	75 Å²	75	24.4 Å²	24.4	35%	0.35	14%	0.135	S	C	.	.	H	α-helix	trans	-61.4	-51.3	174.6	-177.1	61.7	36.9	0	0	110.7	P83 G157 Y161 T162 E163	P83-Q159 HydrophobicContact CG-CB 4.44Å; G157-Q159 PolarHBondContact O-N 2.79Å; Q159-Y161 VanDerWaalsContact C-N 3.29Å; Q159-Y161 PolarHBondContact O-N 3.14Å; Q159-T162 PolarHBondContact O-N 2.94Å; Q159-T162 PolarHBondContact O-OG1 2.94Å; Q159-E163 PolarHBondContact NE2-OE1 2.91Å; Q159-E163 WeakPolarHBondContact O-CG 3.12Å; Q159-E163 PolarHBondContact O-N 3.06Å
160	E	95.2	Very high	96.1	Very high	7 Å²	7	24 Å²	24	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-38.2	176.5	-75.6	68.8	-142.6	0	0	112.7	G157 T162 E163 G164 L165 Y168 R229	G157-E160 WeakPolarHBondContact CA-OE2 3.41Å; G157-E160 WeakPolarHBondContact O-CB 3.34Å; G157-E160 PolarHBondContact O-N 3.25Å; G157-E160 VanDerWaalsContact O-N 3.09Å; E160-T162 PolarHBondContact O-N 2.95Å; E160-E163 CarbonylContact O-C 3.47Å; E160-E163 PolarHBondContact O-N 2.92Å; E160-E163 VanDerWaalsContact O-N 3.15Å; E160-G164 PolarHBondContact O-N 2.94Å; E160-L165 HydrophobicContact CB-CB 3.95Å; E160-L165 HydrophobicContact CG-CB 4.21Å; E160-L165 HydrophobicContact CG-CD1 4.34Å; E160-L165 PolarHBondContact O-N 3.37Å; E160-Y168 HydrophobicContact CB-CD2 4.08Å; E160-Y168 HydrophobicContact CB-CG 4.46Å; E160-Y168 HydrophobicContact CG-CD2 3.49Å; E160-Y168 VanDerWaalsContact CG-CD2 3.49Å; E160-Y168 HydrophobicContact CG-CE2 4.44Å; E160-Y168 HydrophobicContact CG-CG 3.94Å; E160-R229 VanDerWaalsContact OE1-CD 3.25Å; E160-R229 WeakPolarHBondContact OE1-CD 3.32Å; E160-R229 WeakPolarHBondContact OE1-CG 3.42Å; E160-R229 IonicContact OE1-CZ 3.39Å; E160-R229 IonicContact OE1-NE 2.71Å; E160-R229 IonicContact OE1-NH1 2.96Å; E160-R229 PolarHBondContact OE1-NH1 2.58Å
161	Y	95.1	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-46.2	174.8	-178.3	-115.7	0	0	0	111.6	I60 S64 L69 T85 A87 L155 G157 T158 Q159 E163 G164 V169 F190	I60-Y161 HydrophobicContact CG2-CD2 4.19Å; I60-Y161 HydrophobicContact CG2-CE2 3.57Å; I60-Y161 PolarHBondContact O-OH 3.23Å; S64-Y161 PolarHBondContact N-OH 3.15Å; L69-Y161 HydrophobicContact CD2-CD1 4.15Å; L69-Y161 HydrophobicContact CD2-CE1 3.29Å; L69-Y161 WeakPolarHBondContact CD2-OH 3.37Å; T85-Y161 HydrophobicContact CG2-CD1 4.16Å; T85-Y161 HydrophobicContact CG2-CE1 4.3Å; A87-Y161 HydrophobicContact CB-CE1 3.64Å; A87-Y161 WeakPolarHBondContact CB-OH 3.47Å; L155-Y161 HydrophobicContact CD1-CD1 4.09Å; L155-Y161 HydrophobicContact CD1-CE1 4.25Å; L155-Y161 HydrophobicContact CD1-CG 4.33Å; L155-Y161 HydrophobicContact CD2-CG 4.41Å; G157-Y161 PolarHBondContact O-N 3.46Å; T158-Y161 WeakPolarHBondContact O-CB 3.38Å; T158-Y161 PolarHBondContact O-N 3.06Å; Q159-Y161 VanDerWaalsContact C-N 3.29Å; Q159-Y161 PolarHBondContact O-N 3.14Å; Y161-E163 VanDerWaalsContact C-N 3.27Å; Y161-E163 PolarHBondContact O-N 3.34Å; Y161-G164 PolarHBondContact O-N 3.13Å; Y161-G164 VanDerWaalsContact O-N 3.15Å; Y161-V169 HydrophobicContact CD2-CG1 4.35Å; Y161-V169 HydrophobicContact CD2-CG2 4.02Å; Y161-V169 HydrophobicContact CG-CG2 4.36Å; Y161-F190 HydrophobicContact CD2-CE2 4.2Å; Y161-F190 HydrophobicContact CD2-CZ 4.26Å; Y161-F190 HydrophobicContact CE2-CE2 4.18Å; Y161-F190 AromaticContact CE2-CZ 3.9Å; Y161-F190 HydrophobicContact CE2-CZ 3.9Å
162	T	92	Very high	96.2	Very high	46 Å²	46	23.9 Å²	23.9	28%	0.282	13%	0.132	S	C	.	.	H	α-helix	trans	-68.1	-25.4	176.2	60.5	0	0	0	0	113.7	P83 T85 T158 Q159 E160 G164	P83-T162 HydrophobicContact CB-CG2 4.32Å; T85-T162 HydrophobicContact CG2-CG2 3.84Å; T158-T162 WeakPolarHBondContact O-CG2 3.33Å; T158-T162 PolarHBondContact O-N 3.32Å; T158-T162 PolarHBondContact O-OG1 2.92Å; Q159-T162 PolarHBondContact O-N 2.94Å; Q159-T162 PolarHBondContact O-OG1 2.94Å; E160-T162 PolarHBondContact O-N 2.95Å; T162-G164 VanDerWaalsContact C-N 3.33Å
163	E	92.1	Very high	96.2	Very high	91 Å²	91	24 Å²	24	43%	0.425	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.4	174.1	-69.2	175	-168.5	0	0	113.3	Q159 E160 Y161 L165 R229	Q159-E163 PolarHBondContact NE2-OE1 2.91Å; Q159-E163 WeakPolarHBondContact O-CG 3.12Å; Q159-E163 PolarHBondContact O-N 3.06Å; E160-E163 CarbonylContact O-C 3.47Å; E160-E163 PolarHBondContact O-N 2.92Å; E160-E163 VanDerWaalsContact O-N 3.15Å; Y161-E163 VanDerWaalsContact C-N 3.27Å; Y161-E163 PolarHBondContact O-N 3.34Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 HydrophobicContact CB-CD1 4.18Å; E163-L165 HydrophobicContact CB-CG 4.2Å; E163-L165 PolarHBondContact O-N 3.46Å; E163-L165 WeakPolarHBondContact OE2-CD1 3.31Å; E163-R229 IonicContact OE2-CZ 3.26Å; E163-R229 IonicContact OE2-NH1 2.66Å; E163-R229 PolarHBondContact OE2-NH1 3Å; E163-R229 IonicContact OE2-NH2 2.78Å; E163-R229 PolarHBondContact OE2-NH2 2.88Å
164	G	92.4	Very high	96.2	Very high	44 Å²	44	23.9 Å²	23.9	45%	0.454	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	12.9	-176.3	0	0	0	0	0	114.7	E160 Y161 T162 N166	E160-G164 PolarHBondContact O-N 2.94Å; Y161-G164 PolarHBondContact O-N 3.13Å; Y161-G164 VanDerWaalsContact O-N 3.15Å; T162-G164 VanDerWaalsContact C-N 3.33Å; G164-N166 PolarHBondContact O-N 2.84Å
165	L	95.4	Very high	96.3	Very high	48 Å²	48	24 Å²	24	25%	0.251	13%	0.132	S	C	.	.			trans	-83.9	63.4	175.8	-61.3	171.3	0	0	0	110.4	E160 E163 E167 Y168 R229	E160-L165 HydrophobicContact CB-CB 3.95Å; E160-L165 HydrophobicContact CG-CB 4.21Å; E160-L165 HydrophobicContact CG-CD1 4.34Å; E160-L165 PolarHBondContact O-N 3.37Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 HydrophobicContact CB-CD1 4.18Å; E163-L165 HydrophobicContact CB-CG 4.2Å; E163-L165 PolarHBondContact O-N 3.46Å; E163-L165 WeakPolarHBondContact OE2-CD1 3.31Å; L165-E167 PolarHBondContact O-N 2.92Å; L165-E167 VanDerWaalsContact O-N 3.14Å; L165-Y168 HydrophobicContact CB-CD2 3.76Å; L165-Y168 HydrophobicContact CB-CE2 4.09Å; L165-Y168 HydrophobicContact CD1-CE2 4.36Å; L165-Y168 PolarHBondContact O-N 2.8Å; L165-R229 VanDerWaalsContact CD1-NH2 3.32Å
166	N	95.8	Very high	96.3	Very high	41 Å²	41	24 Å²	24	22%	0.219	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-62.1	-21.2	-167.7	-75	-22.7	0	0	0	114.5	G164 Y168 V169 F190	G164-N166 PolarHBondContact O-N 2.84Å; N166-Y168 VanDerWaalsContact C-N 3.25Å; N166-Y168 PolarHBondContact O-N 2.85Å; N166-V169 PolarHBondContact O-N 2.92Å; N166-F190 HydrophobicContact CB-CB 3.94Å; N166-F190 HydrophobicContact CB-CD1 3.73Å; N166-F190 HydrophobicContact CB-CD2 3.66Å; N166-F190 HydrophobicContact CB-CE1 4.07Å; N166-F190 HydrophobicContact CB-CE2 4.01Å; N166-F190 HydrophobicContact CB-CG 3.5Å; N166-F190 HydrophobicContact CB-CZ 4.2Å; N166-F190 WeakPolarHBondContact O-CD2 3.39Å
167	E	96.9	Very high	96.3	Very high	74 Å²	74	25 Å²	25	35%	0.346	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-66.1	-25.3	178	67.2	-87.7	-151.4	0	0	113.7	L165 Q188 F259	L165-E167 PolarHBondContact O-N 2.92Å; L165-E167 VanDerWaalsContact O-N 3.14Å; E167-Q188 PolarHBondContact O-NE2 2.92Å; E167-F259 HydrophobicContact CG-CE2 4.49Å; E167-F259 WeakPolarHBondContact O-CD2 3.25Å
168	Y	98	Very high	96.1	Very high	36 Å²	36	30.8 Å²	30.8	14%	0.141	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-83.9	-16.1	179.6	-61.7	-58.1	0	0	0	113.1	E160 L165 N166 A254 G255 F259	E160-Y168 HydrophobicContact CB-CD2 4.08Å; E160-Y168 HydrophobicContact CB-CG 4.46Å; E160-Y168 HydrophobicContact CG-CD2 3.49Å; E160-Y168 VanDerWaalsContact CG-CD2 3.49Å; E160-Y168 HydrophobicContact CG-CE2 4.44Å; E160-Y168 HydrophobicContact CG-CG 3.94Å; L165-Y168 HydrophobicContact CB-CD2 3.76Å; L165-Y168 HydrophobicContact CB-CE2 4.09Å; L165-Y168 HydrophobicContact CD1-CE2 4.36Å; L165-Y168 PolarHBondContact O-N 2.8Å; N166-Y168 VanDerWaalsContact C-N 3.25Å; N166-Y168 PolarHBondContact O-N 2.85Å; Y168-A254 HydrophobicContact CD1-CB 4.3Å; Y168-A254 HydrophobicContact CE1-CB 3.76Å; Y168-G255 VanDerWaalsContact CD1-O 3.31Å; Y168-G255 WeakPolarHBondContact CD1-O 3.46Å; Y168-F259 HydrophobicContact CD1-CB 4.05Å; Y168-F259 AromaticContact CD1-CD1 3.63Å; Y168-F259 HydrophobicContact CD1-CD1 3.63Å; Y168-F259 AromaticContact CD1-CD2 3.78Å; Y168-F259 HydrophobicContact CD1-CD2 3.78Å; Y168-F259 AromaticContact CD1-CE1 3.98Å; Y168-F259 HydrophobicContact CD1-CE1 3.98Å; Y168-F259 HydrophobicContact CD1-CE2 4.09Å; Y168-F259 AromaticContact CD1-CG 3.54Å; Y168-F259 HydrophobicContact CD1-CG 3.54Å; Y168-F259 HydrophobicContact CD1-CZ 4.19Å; Y168-F259 AromaticContact CE1-CD1 3.72Å; Y168-F259 HydrophobicContact CE1-CD1 3.72Å; Y168-F259 HydrophobicContact CE1-CD2 4.21Å; Y168-F259 AromaticContact CE1-CE1 3.59Å; Y168-F259 HydrophobicContact CE1-CE1 3.59Å; Y168-F259 HydrophobicContact CE1-CE2 4.07Å; Y168-F259 HydrophobicContact CE1-CG 4.05Å; Y168-F259 AromaticContact CE1-CZ 3.77Å; Y168-F259 HydrophobicContact CE1-CZ 3.77Å
169	V	98.2	Very high	96.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.			trans	-74.8	129.5	-172.6	-179.8	0	0	0	0	110.4	I60 L155 D156 Y161 N166 P189 F190	I60-V169 HydrophobicContact CG2-CG1 4.06Å; L155-V169 HydrophobicContact CD2-CG1 3.97Å; L155-V169 HydrophobicContact CG-CG1 4.12Å; D156-V169 VanDerWaalsContact O-CA 3.31Å; D156-V169 WeakPolarHBondContact O-CA 3.34Å; Y161-V169 HydrophobicContact CD2-CG1 4.35Å; Y161-V169 HydrophobicContact CD2-CG2 4.02Å; Y161-V169 HydrophobicContact CG-CG2 4.36Å; N166-V169 PolarHBondContact O-N 2.92Å; V169-P189 HydrophobicContact CG1-CG 4.39Å; V169-F190 HydrophobicContact CB-CD2 4.08Å; V169-F190 HydrophobicContact CB-CE2 4.02Å; V169-F190 HydrophobicContact CG1-CD2 4.47Å; V169-F190 HydrophobicContact CG1-CE2 4.07Å; V169-F190 HydrophobicContact CG2-CE2 4.33Å
170	S	98.7	Very high	96.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152.7	179.1	-50.5	0	0	0	0	112.2	L155 D156 H187	L155-S170 CarbonylContact C-O 3.59Å; L155-S170 WeakPolarHBondContact CA-O 3.38Å; D156-S170 PolarHBondContact N-O 3Å; D156-S170 PolarHBondContact O-N 3.28Å; D156-S170 VanDerWaalsContact O-N 3.08Å; S170-H187 CarbonylContact C-O 3.59Å; S170-H187 VanDerWaalsContact CA-O 3.22Å; S170-H187 WeakPolarHBondContact CA-O 3.29Å
171	V	98.8	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130	161.7	-178.1	0	0	0	0	107.5	A56 I60 I95 H187	A56-V171 HydrophobicContact CB-CG1 4.25Å; A56-V171 HydrophobicContact CB-CG2 4.2Å; I60-V171 HydrophobicContact CD1-CG2 3.47Å; I60-V171 VanDerWaalsContact CD1-CG2 3.47Å; I95-V171 HydrophobicContact CD1-CG1 3.54Å; V171-H187 HydrophobicContact CB-CB 4.34Å; V171-H187 PolarHBondContact N-O 3.33Å; V171-H187 PolarHBondContact O-N 3.35Å
172	M	98.8	Very high	96.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.3	-176.1	-58.7	-167.8	-57.4	0	0	112.1	V152 D153 D156 I185 I186 A257 G258 D282 A285 P286	V152-M172 WeakPolarHBondContact CA-O 3.19Å; D153-M172 HydrophobicContact CB-CB 4.18Å; D153-M172 HydrophobicContact CB-CE 3.77Å; D153-M172 PolarHBondContact N-O 2.74Å; D153-M172 PolarHBondContact O-N 3.06Å; D153-M172 WeakPolarHBondContact OD2-CE 3.46Å; D156-M172 HydrophobicContact CB-CE 3.71Å; D156-M172 HydrophobicContact CB-CG 4.34Å; D156-M172 HydrophobicContact CB-SD 4.21Å; M172-I185 VanDerWaalsContact CA-O 3.31Å; M172-I185 WeakPolarHBondContact CA-O 3.41Å; M172-I186 HydrophobicContact CG-CG1 4.32Å; M172-I186 HydrophobicContact SD-CG1 4.41Å; M172-A257 HydrophobicContact CE-CB 4.36Å; M172-G258 VanDerWaalsContact SD-CA 3.57Å; M172-D282 WeakPolarHBondContact CE-O 3.31Å; M172-A285 HydrophobicContact CB-CB 3.89Å; M172-P286 HydrophobicContact CE-CG 4.4Å; M172-P286 HydrophobicContact SD-CG 3.61Å
173	I	98.9	Very high	96.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.3	176.7	-55.6	178.2	0	0	0	108.7	C49 I95 I150 V152 G184 I185 A285	C49-I173 HydrophobicContact CB-CD1 4.34Å; C49-I173 HydrophobicContact CB-CG2 3.92Å; C49-I173 WeakPolarHBondContact O-CD1 3.43Å; I95-I173 HydrophobicContact CD1-CD1 4.22Å; I95-I173 HydrophobicContact CD1-CG1 4.48Å; I95-I173 HydrophobicContact CG1-CD1 4.21Å; I95-I173 HydrophobicContact CG2-CD1 3.72Å; I95-I173 HydrophobicContact CG2-CG1 4.31Å; I150-I173 HydrophobicContact CG2-CG2 3.69Å; V152-I173 HydrophobicContact CG1-CG1 4.45Å; V152-I173 HydrophobicContact CG2-CG2 4.45Å; I173-G184 CarbonylContact O-C 3.47Å; I173-G184 WeakPolarHBondContact O-CA 3.07Å; I173-I185 HydrophobicContact CB-CB 4.48Å; I173-I185 HydrophobicContact CB-CD1 4.21Å; I173-I185 PolarHBondContact N-O 2.87Å; I173-I185 PolarHBondContact O-N 3.23Å; I173-A285 WeakPolarHBondContact O-CB 3.41Å
174	C	98.8	Very high	97.1	Very high	1 Å²	1	29 Å²	29	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.3	-176.6	-174.3	0	0	0	0	110.9	I150 W151 A183 C284 A285	I150-C174 CarbonylContact C-O 3.58Å; I150-C174 VanDerWaalsContact CA-O 3.24Å; I150-C174 WeakPolarHBondContact CA-O 3.5Å; W151-C174 HydrophobicContact CB-CB 4.21Å; W151-C174 PolarHBondContact N-O 3.08Å; W151-C174 PolarHBondContact O-N 3.07Å; C174-A183 WeakPolarHBondContact CA-O 3.49Å; C174-C284 HydrophobicContact CB-CB 3.42Å; C174-C284 VanDerWaalsContact CB-CB 3.42Å; C174-C284 WeakPolarHBondContact CB-SG 3.43Å; C174-C284 WeakPolarHBondContact SG-CB 3.26Å; C174-C284 PolarHBondContact SG-O 3.16Å; C174-C284 CovalentContact SG-SG 2.04Å; C174-C284 PolarHBondContact SG-SG 3.24Å; C174-A285 HydrophobicContact CB-CB 4.03Å
175	I	98.6	Very high	97.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.3	174.8	-49.8	179.7	0	0	0	108.2	L45 L46 L148 I150 I182 A183	L45-I175 HydrophobicContact CD2-CD1 4.16Å; L45-I175 HydrophobicContact CD2-CG2 4.02Å; L45-I175 HydrophobicContact CG-CD1 3.9Å; L46-I175 HydrophobicContact CB-CD1 4.02Å; L46-I175 HydrophobicContact CD1-CD1 4.27Å; L148-I175 HydrophobicContact CD2-CG2 3.98Å; I150-I175 HydrophobicContact CD1-CB 3.98Å; I150-I175 HydrophobicContact CD1-CG1 3.68Å; I150-I175 HydrophobicContact CD1-CG2 3.96Å; I175-I182 HydrophobicContact CB-CG1 4.21Å; I175-I182 HydrophobicContact CG2-CD1 4.01Å; I175-I182 HydrophobicContact CG2-CG1 3.94Å; I175-I182 VanDerWaalsContact O-CG1 3.3Å; I175-I182 WeakPolarHBondContact O-CG1 3.28Å; I175-I182 PolarHBondContact O-N 3.44Å; I175-A183 HydrophobicContact CB-CB 4.17Å; I175-A183 HydrophobicContact CD1-CB 4.11Å; I175-A183 HydrophobicContact CG1-CB 4.28Å; I175-A183 PolarHBondContact N-O 3.18Å; I175-A183 PolarHBondContact O-N 2.89Å
176	V	98.4	Very high	97.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.1	-178	178.6	0	0	0	0	109.9	L148 V149 H180 C284 F307	L148-V176 VanDerWaalsContact CA-O 3.32Å; L148-V176 WeakPolarHBondContact CA-O 3.29Å; L148-V176 WeakPolarHBondContact CD2-O 3.47Å; V149-V176 HydrophobicContact CB-CB 4.34Å; V149-V176 PolarHBondContact N-O 3.06Å; V149-V176 WeakPolarHBondContact O-CB 3.32Å; V149-V176 PolarHBondContact O-N 3.33Å; V176-H180 WeakPolarHBondContact CA-O 3.19Å; V176-C284 WeakPolarHBondContact CG2-SG 3.45Å; V176-F307 HydrophobicContact CB-CB 4.39Å; V176-F307 HydrophobicContact CG1-CB 3.86Å; V176-F307 HydrophobicContact CG2-CB 3.67Å; V176-F307 HydrophobicContact CG2-CG 4.41Å
177	L	96.8	Very high	97.7	Very high	35 Å²	35	22.7 Å²	22.7	18%	0.183	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123	170.9	178.2	65.6	0	0	0	109.1	V143 D147 L148 D179 H180 I182	V143-L177 HydrophobicContact CB-CD1 4.3Å; V143-L177 HydrophobicContact CG1-CD1 4.21Å; V143-L177 HydrophobicContact CG1-CD2 4.18Å; D147-L177 HydrophobicContact CB-CD1 3.86Å; L148-L177 HydrophobicContact CD2-CB 4.27Å; L148-L177 HydrophobicContact CD2-CD1 4.17Å; L177-D179 VanDerWaalsContact C-N 3.26Å; L177-D179 PolarHBondContact O-N 2.91Å; L177-D179 VanDerWaalsContact O-N 3.1Å; L177-H180 PolarHBondContact N-O 2.98Å; L177-H180 PolarHBondContact O-N 3.31Å; L177-I182 HydrophobicContact CB-CD1 4.06Å; L177-I182 HydrophobicContact CB-CG1 4.33Å; L177-I182 HydrophobicContact CB-CG2 3.72Å; L177-I182 HydrophobicContact CD2-CG2 4.47Å
178	H	92	Very high	97.8	Very high	130 Å²	130	19.4 Å²	19.4	60%	0.602	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	41.2	175.6	-54.6	145.2	0	0	0	115.2	D147	D147-H178 WeakPolarHBondContact CB-NE2 3.48Å; D147-H178 PolarHBondContact O-N 3.3Å; D147-H178 IonicContact OD1-NE2 2.78Å; D147-H178 IonicContact OD2-CD2 3.36Å; D147-H178 IonicContact OD2-CE1 3.24Å; D147-H178 IonicContact OD2-NE2 2.71Å; D147-H178 PolarHBondContact OD2-NE2 2.87Å
179	D	94.2	Very high	97.8	Very high	59 Å²	59	17.8 Å²	17.8	32%	0.316	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-18.9	-178.3	-156.4	39.1	0	0	0	116.2	L177 G306 F307 T308	L177-D179 VanDerWaalsContact C-N 3.26Å; L177-D179 PolarHBondContact O-N 2.91Å; L177-D179 VanDerWaalsContact O-N 3.1Å; D179-G306 WeakPolarHBondContact OD1-CA 3.34Å; D179-G306 WeakPolarHBondContact OD2-CA 3.14Å; D179-F307 PolarHBondContact O-N 2.85Å; D179-F307 PolarHBondContact OD1-N 3.14Å; D179-T308 HydrophobicContact CB-CG2 3.63Å; D179-T308 VanDerWaalsContact CG-CG2 3.47Å; D179-T308 WeakPolarHBondContact OD1-CG2 3.48Å; D179-T308 PolarHBondContact OD1-N 3Å
180	H	96	Very high	97.7	Very high	100 Å²	100	19.9 Å²	19.9	46%	0.463	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.9	-175	-167.7	57	0	0	0	112.7	V176 L177 I182 E291	V176-H180 WeakPolarHBondContact CA-O 3.19Å; L177-H180 PolarHBondContact N-O 2.98Å; L177-H180 PolarHBondContact O-N 3.31Å; H180-I182 PolarHBondContact O-N 3.34Å; H180-I182 VanDerWaalsContact O-N 3.15Å; H180-E291 IonicContact CE1-OE2 3.83Å; H180-E291 PolarHBondContact CE1-OE2 3.23Å; H180-E291 IonicContact NE2-OE2 3.57Å
181	P	98.1	Very high	97.6	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.039	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	111.6	172.2	-21.1	34.6	0	0	0	111	Q287 A288 F307	P181-Q287 HydrophobicContact CG-CG 4.39Å; P181-A288 HydrophobicContact CB-CB 3.67Å; P181-F307 HydrophobicContact CG-CD2 3.42Å; P181-F307 VanDerWaalsContact CG-CD2 3.42Å; P181-F307 HydrophobicContact CG-CE2 3.54Å; P181-F307 HydrophobicContact CG-CG 4.16Å; P181-F307 HydrophobicContact CG-CZ 4.36Å
182	I	97.6	Very high	97.5	Very high	27 Å²	27	27 Å²	27	14%	0.138	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-25.5	179	59.6	163.7	0	0	0	112.4	V42 L148 I175 L177 H180 W198 G199	V42-I182 HydrophobicContact CG1-CD1 3.96Å; V42-I182 HydrophobicContact CG2-CD1 4.31Å; L148-I182 HydrophobicContact CD2-CD1 4.33Å; I175-I182 HydrophobicContact CB-CG1 4.21Å; I175-I182 HydrophobicContact CG2-CD1 4.01Å; I175-I182 HydrophobicContact CG2-CG1 3.94Å; I175-I182 VanDerWaalsContact O-CG1 3.3Å; I175-I182 WeakPolarHBondContact O-CG1 3.28Å; I175-I182 PolarHBondContact O-N 3.44Å; L177-I182 HydrophobicContact CB-CD1 4.06Å; L177-I182 HydrophobicContact CB-CG1 4.33Å; L177-I182 HydrophobicContact CB-CG2 3.72Å; L177-I182 HydrophobicContact CD2-CG2 4.47Å; H180-I182 PolarHBondContact O-N 3.34Å; H180-I182 VanDerWaalsContact O-N 3.15Å; I182-W198 CarbonylContact O-C 3.58Å; I182-G199 PolarHBondContact O-N 3.49Å
183	A	98.5	Very high	97.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.8	174.2	0	0	0	0	0	110.9	L46 C174 I175 G197 W198 A288	L46-A183 HydrophobicContact CD1-CB 4.15Å; C174-A183 WeakPolarHBondContact CA-O 3.49Å; I175-A183 HydrophobicContact CB-CB 4.17Å; I175-A183 HydrophobicContact CD1-CB 4.11Å; I175-A183 HydrophobicContact CG1-CB 4.28Å; I175-A183 PolarHBondContact N-O 3.18Å; I175-A183 PolarHBondContact O-N 2.89Å; A183-G197 CarbonylContact C-O 3.45Å; A183-G197 WeakPolarHBondContact CA-O 3.46Å; A183-G197 WeakPolarHBondContact CB-O 3.42Å; A183-W198 HydrophobicContact CB-CB 4.27Å; A183-W198 HydrophobicContact CB-CG 4.38Å; A183-A288 VanDerWaalsContact C-CB 3.5Å
184	G	98.7	Very high	97.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150	177.9	0	0	0	0	0	111.2	I173 W196 G197 V289	I173-G184 CarbonylContact O-C 3.47Å; I173-G184 WeakPolarHBondContact O-CA 3.07Å; G184-W196 WeakPolarHBondContact O-CA 3.34Å; G184-W196 VanDerWaalsContact O-CB 3.24Å; G184-W196 WeakPolarHBondContact O-CB 3.42Å; G184-G197 PolarHBondContact N-O 2.84Å; G184-G197 PolarHBondContact O-N 3.46Å; G184-G197 VanDerWaalsContact O-N 3.09Å; G184-V289 WeakPolarHBondContact O-CG2 3.5Å
185	I	98.9	Very high	97.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131	177.1	-59	150.8	0	0	0	107.8	L46 C49 I50 S53 M172 I173 T194 Y195 W196 A285	L46-I185 HydrophobicContact CD1-CD1 3.97Å; L46-I185 HydrophobicContact CD1-CG1 4.05Å; C49-I185 HydrophobicContact CB-CD1 3.27Å; I50-I185 HydrophobicContact CG1-CD1 3.86Å; I50-I185 HydrophobicContact CG1-CG1 4.02Å; S53-I185 WeakPolarHBondContact OG-CG2 3.27Å; M172-I185 VanDerWaalsContact CA-O 3.31Å; M172-I185 WeakPolarHBondContact CA-O 3.41Å; I173-I185 HydrophobicContact CB-CB 4.48Å; I173-I185 HydrophobicContact CB-CD1 4.21Å; I173-I185 PolarHBondContact N-O 2.87Å; I173-I185 PolarHBondContact O-N 3.23Å; I185-T194 HydrophobicContact CG2-CG2 3.96Å; I185-Y195 CarbonylContact C-O 3.59Å; I185-Y195 WeakPolarHBondContact CA-O 3.4Å; I185-W196 HydrophobicContact CB-CB 4.31Å; I185-W196 HydrophobicContact CG1-CB 3.77Å; I185-A285 WeakPolarHBondContact O-CB 3.46Å
186	I	98.9	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.5	169	-59.8	167.1	0	0	0	106.1	M172 Y195 A261 I262 A285 P286 V289	M172-I186 HydrophobicContact CG-CG1 4.32Å; M172-I186 HydrophobicContact SD-CG1 4.41Å; I186-Y195 PolarHBondContact N-O 3.08Å; I186-Y195 WeakPolarHBondContact O-CD2 3.47Å; I186-Y195 PolarHBondContact O-N 3.15Å; I186-A261 HydrophobicContact CD1-CB 4.32Å; I186-I262 HydrophobicContact CD1-CD1 3.97Å; I186-I262 HydrophobicContact CD1-CG1 4.2Å; I186-I262 HydrophobicContact CG2-CG1 4.21Å; I186-A285 HydrophobicContact CG1-CB 4.46Å; I186-P286 HydrophobicContact CD1-CG 4.33Å; I186-V289 HydrophobicContact CD1-CB 4.08Å; I186-V289 HydrophobicContact CD1-CG1 4.27Å; I186-V289 HydrophobicContact CD1-CG2 4.08Å; I186-V289 HydrophobicContact CG1-CG2 4.18Å
187	H	98.8	Very high	97.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.4	175.9	176.4	64.2	0	0	0	109.9	S53 Y128 S170 V171 P189 K193 T194	S53-H187 PolarHBondContact O-CD2 3.37Å; Y128-H187 AromaticContact CD1-CE1 3.78Å; S170-H187 CarbonylContact C-O 3.59Å; S170-H187 VanDerWaalsContact CA-O 3.22Å; S170-H187 WeakPolarHBondContact CA-O 3.29Å; V171-H187 HydrophobicContact CB-CB 4.34Å; V171-H187 PolarHBondContact N-O 3.33Å; V171-H187 PolarHBondContact O-N 3.35Å; H187-P189 VanDerWaalsContact O-CD 3.22Å; H187-P189 WeakPolarHBondContact O-CD 3.36Å; H187-K193 CarbonylContact C-O 3.54Å; H187-K193 WeakPolarHBondContact CA-O 3.44Å; H187-K193 PolarHBondContact ND1-O 3.23Å; H187-T194 HydrophobicContact CB-CG2 4.32Å; H187-T194 PolarHBondContact ND1-OG1 2.8Å
188	Q	98.5	Very high	97.4	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.019	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	95.9	176.2	-65.3	-171.2	-61.7	0	0	109.7	E167 F190 L191 N192 K193 Y195	E167-Q188 PolarHBondContact O-NE2 2.92Å; Q188-F190 VanDerWaalsContact C-N 3.32Å; Q188-F190 PolarHBondContact O-N 3.07Å; Q188-L191 HydrophobicContact CB-CB 4.13Å; Q188-L191 HydrophobicContact CB-CD1 4.43Å; Q188-L191 HydrophobicContact CB-CG 4.46Å; Q188-L191 PolarHBondContact O-N 3.43Å; Q188-L191 VanDerWaalsContact O-N 3.15Å; Q188-N192 PolarHBondContact O-N 2.83Å; Q188-K193 PolarHBondContact N-O 3.42Å; Q188-K193 PolarHBondContact O-N 3.12Å; Q188-Y195 HydrophobicContact CG-CE2 4.27Å; Q188-Y195 VanDerWaalsContact OE1-CE2 3.27Å
189	P	96.8	Very high	97.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.013	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.2	-169.6	21.6	-33.1	0	0	0	114.5	G57 I60 V169 H187 L191 N192	G57-P189 VanDerWaalsContact O-CB 3.28Å; G57-P189 WeakPolarHBondContact O-CB 3.48Å; I60-P189 HydrophobicContact CG2-CG 4.33Å; V169-P189 HydrophobicContact CG1-CG 4.39Å; H187-P189 VanDerWaalsContact O-CD 3.22Å; H187-P189 WeakPolarHBondContact O-CD 3.36Å; P189-L191 VanDerWaalsContact C-N 3.33Å; P189-N192 PolarHBondContact O-OD1 3.46Å; P189-N192 VanDerWaalsContact O-OD1 3.11Å
190	F	96.5	Very high	97.2	Very high	45 Å²	45	27.5 Å²	27.5	20%	0.197	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.7	-179.4	-63.7	-82.3	0	0	0	113.4	I60 K61 Y161 N166 V169 Q188	I60-F190 HydrophobicContact CG2-CE2 4.08Å; I60-F190 HydrophobicContact CG2-CZ 4.36Å; K61-F190 HydrophobicContact CB-CE1 4.4Å; K61-F190 HydrophobicContact CG-CD1 4.29Å; K61-F190 HydrophobicContact CG-CE1 4.11Å; Y161-F190 HydrophobicContact CD2-CE2 4.2Å; Y161-F190 HydrophobicContact CD2-CZ 4.26Å; Y161-F190 HydrophobicContact CE2-CE2 4.18Å; Y161-F190 AromaticContact CE2-CZ 3.9Å; Y161-F190 HydrophobicContact CE2-CZ 3.9Å; N166-F190 HydrophobicContact CB-CB 3.94Å; N166-F190 HydrophobicContact CB-CD1 3.73Å; N166-F190 HydrophobicContact CB-CD2 3.66Å; N166-F190 HydrophobicContact CB-CE1 4.07Å; N166-F190 HydrophobicContact CB-CE2 4.01Å; N166-F190 HydrophobicContact CB-CG 3.5Å; N166-F190 HydrophobicContact CB-CZ 4.2Å; N166-F190 WeakPolarHBondContact O-CD2 3.39Å; V169-F190 HydrophobicContact CB-CD2 4.08Å; V169-F190 HydrophobicContact CB-CE2 4.02Å; V169-F190 HydrophobicContact CG1-CD2 4.47Å; V169-F190 HydrophobicContact CG1-CE2 4.07Å; V169-F190 HydrophobicContact CG2-CE2 4.33Å; Q188-F190 VanDerWaalsContact C-N 3.32Å; Q188-F190 PolarHBondContact O-N 3.07Å
191	L	96.6	Very high	96.9	Very high	84 Å²	84	27.5 Å²	27.5	44%	0.44	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-7.3	174.2	-59	-177.4	0	0	0	112.5	Q188 P189 K193	Q188-L191 HydrophobicContact CB-CB 4.13Å; Q188-L191 HydrophobicContact CB-CD1 4.43Å; Q188-L191 HydrophobicContact CB-CG 4.46Å; Q188-L191 PolarHBondContact O-N 3.43Å; Q188-L191 VanDerWaalsContact O-N 3.15Å; P189-L191 VanDerWaalsContact C-N 3.33Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 HydrophobicContact CB-CB 4.44Å; L191-K193 HydrophobicContact CB-CG 4.05Å; L191-K193 PolarHBondContact O-N 3.4Å
192	N	96.5	Very high	96.8	Very high	64 Å²	64	27.3 Å²	27.3	34%	0.342	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	51.6	-172.4	-65.8	-21.5	0	0	0	110.9	K61 Y128 Q188 P189	K61-N192 PolarHBondContact NZ-OD1 3.1Å; Y128-N192 HydrophobicContact CD1-CB 4.48Å; Y128-N192 HydrophobicContact CD2-CB 3.66Å; Y128-N192 WeakPolarHBondContact CE1-O 3.29Å; Y128-N192 HydrophobicContact CE2-CB 3.91Å; Y128-N192 WeakPolarHBondContact CE2-O 3.36Å; Y128-N192 HydrophobicContact CG-CB 3.96Å; Y128-N192 PolarHBondContact OH-O 3.36Å; Q188-N192 PolarHBondContact O-N 2.83Å; P189-N192 PolarHBondContact O-OD1 3.46Å; P189-N192 VanDerWaalsContact O-OD1 3.11Å
193	K	97.8	Very high	96.8	Very high	62 Å²	62	27 Å²	27	27%	0.27	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.8	-179.3	-67.8	-69.7	169.5	-177.8	0	110.6	H187 Q188 L191 Y195 D206	H187-K193 CarbonylContact C-O 3.54Å; H187-K193 WeakPolarHBondContact CA-O 3.44Å; H187-K193 PolarHBondContact ND1-O 3.23Å; Q188-K193 PolarHBondContact N-O 3.42Å; Q188-K193 PolarHBondContact O-N 3.12Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 HydrophobicContact CB-CB 4.44Å; L191-K193 HydrophobicContact CB-CG 4.05Å; L191-K193 PolarHBondContact O-N 3.4Å; K193-Y195 HydrophobicContact CB-CD2 4.34Å; K193-Y195 HydrophobicContact CB-CE2 3.51Å; K193-Y195 HydrophobicContact CG-CE2 4.41Å; K193-D206 HydrophobicContact CD-CB 4.16Å; K193-D206 VanDerWaalsContact CD-CG 3.4Å; K193-D206 WeakPolarHBondContact CD-OD1 3.06Å; K193-D206 IonicContact NZ-OD1 3.93Å; K193-D206 PolarHBondContact NZ-OD1 3.31Å
194	T	98.4	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	100	176.5	-50.8	0	0	0	0	109.3	I50 E54 I185 H187 S204 D206	I50-T194 HydrophobicContact CG2-CG2 4.35Å; E54-T194 HydrophobicContact CG-CG2 4.45Å; E54-T194 PolarHBondContact OE1-OG1 2.86Å; I185-T194 HydrophobicContact CG2-CG2 3.96Å; H187-T194 HydrophobicContact CB-CG2 4.32Å; H187-T194 PolarHBondContact ND1-OG1 2.8Å; T194-S204 WeakPolarHBondContact O-CB 3.39Å; T194-S204 PolarHBondContact O-OG 3.05Å; T194-D206 PolarHBondContact N-OD2 2.81Å
195	Y	98.5	Very high	96.7	Very high	15 Å²	15	28.8 Å²	28.8	6%	0.059	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.7	175.9	-52.7	-83.1	0	0	0	108.7	I185 I186 Q188 K193 D206 L207 A210 I262	I185-Y195 CarbonylContact C-O 3.59Å; I185-Y195 WeakPolarHBondContact CA-O 3.4Å; I186-Y195 PolarHBondContact N-O 3.08Å; I186-Y195 WeakPolarHBondContact O-CD2 3.47Å; I186-Y195 PolarHBondContact O-N 3.15Å; Q188-Y195 HydrophobicContact CG-CE2 4.27Å; Q188-Y195 VanDerWaalsContact OE1-CE2 3.27Å; K193-Y195 HydrophobicContact CB-CD2 4.34Å; K193-Y195 HydrophobicContact CB-CE2 3.51Å; K193-Y195 HydrophobicContact CG-CE2 4.41Å; Y195-D206 HydrophobicContact CD1-CB 3.94Å; Y195-D206 HydrophobicContact CE1-CB 3.93Å; Y195-D206 WeakPolarHBondContact CE1-O 3.47Å; Y195-L207 HydrophobicContact CD1-CB 4.32Å; Y195-L207 HydrophobicContact CD1-CD1 4.29Å; Y195-A210 HydrophobicContact CD1-CB 4.48Å; Y195-A210 HydrophobicContact CE1-CB 4.03Å; Y195-I262 HydrophobicContact CD1-CD1 3.94Å; Y195-I262 HydrophobicContact CD2-CD1 3.67Å; Y195-I262 HydrophobicContact CD2-CG1 3.75Å; Y195-I262 HydrophobicContact CD2-CG2 4.38Å; Y195-I262 HydrophobicContact CE1-CG2 4.08Å; Y195-I262 HydrophobicContact CE2-CD1 4.33Å; Y195-I262 HydrophobicContact CE2-CG1 4.06Å; Y195-I262 HydrophobicContact CE2-CG2 3.95Å; Y195-I262 HydrophobicContact CG-CD1 3.44Å; Y195-I262 VanDerWaalsContact CG-CD1 3.44Å; Y195-I262 HydrophobicContact CG-CG1 4.06Å
196	W	98.5	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	150.5	172.5	61.4	-101.8	0	0	0	111	L46 I50 F132 L136 G184 I185 A202 S204 L207	L46-W196 HydrophobicContact CD2-CE3 4.21Å; L46-W196 HydrophobicContact CD2-CZ3 4.31Å; I50-W196 HydrophobicContact CD1-CD2 3.96Å; I50-W196 HydrophobicContact CD1-CG 3.94Å; I50-W196 HydrophobicContact CD1-CZ2 4.43Å; I50-W196 HydrophobicContact CG1-CG 4.23Å; F132-W196 HydrophobicContact CB-CZ2 3.89Å; L136-W196 HydrophobicContact CD2-CH2 3.61Å; L136-W196 HydrophobicContact CD2-CZ2 4.23Å; L136-W196 HydrophobicContact CD2-CZ3 3.99Å; L136-W196 HydrophobicContact CG-CH2 3.99Å; L136-W196 HydrophobicContact CG-CZ2 4.25Å; G184-W196 WeakPolarHBondContact O-CA 3.34Å; G184-W196 VanDerWaalsContact O-CB 3.24Å; G184-W196 WeakPolarHBondContact O-CB 3.42Å; I185-W196 HydrophobicContact CB-CB 4.31Å; I185-W196 HydrophobicContact CG1-CB 3.77Å; W196-A202 HydrophobicContact CH2-CB 4.17Å; W196-A202 HydrophobicContact CZ3-CB 3.77Å; W196-S204 PolarHBondContact N-OG 3.2Å; W196-S204 PolarHBondContact O-N 3.02Å; W196-L207 VanDerWaalsContact O-CD2 3.26Å; W196-L207 WeakPolarHBondContact O-CD2 3.36Å
197	G	98	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.5	174.5	0	0	0	0	0	109.9	A183 G184 A202	A183-G197 CarbonylContact C-O 3.45Å; A183-G197 WeakPolarHBondContact CA-O 3.46Å; A183-G197 WeakPolarHBondContact CB-O 3.42Å; G184-G197 PolarHBondContact N-O 2.84Å; G184-G197 PolarHBondContact O-N 3.46Å; G184-G197 VanDerWaalsContact O-N 3.09Å; G197-A202 CarbonylContact C-O 3.56Å; G197-A202 WeakPolarHBondContact CA-O 2.92Å
198	W	97.2	Very high	96.4	Very high	14 Å²	14	34.6 Å²	34.6	5%	0.053	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	88.5	171.2	-178.7	15	0	0	0	108	V42 R43 L46 P137 L141 I182 A183 Y201 A202	V42-W198 HydrophobicContact CB-CZ2 4Å; V42-W198 HydrophobicContact CG1-CZ2 3.79Å; R43-W198 HydrophobicContact CB-CH2 4.26Å; R43-W198 HydrophobicContact CB-CZ3 4.2Å; L46-W198 HydrophobicContact CD2-CB 3.82Å; L46-W198 HydrophobicContact CD2-CD2 4.34Å; L46-W198 HydrophobicContact CD2-CE3 4.32Å; L46-W198 HydrophobicContact CD2-CG 4.16Å; P137-W198 HydrophobicContact CG-CZ3 4.33Å; L141-W198 HydrophobicContact CB-CH2 4.29Å; L141-W198 HydrophobicContact CB-CZ2 3.65Å; I182-W198 CarbonylContact O-C 3.58Å; A183-W198 HydrophobicContact CB-CB 4.27Å; A183-W198 HydrophobicContact CB-CG 4.38Å; W198-Y201 AromaticContact CD2-CD1 3.99Å; W198-Y201 HydrophobicContact CD2-CD1 3.99Å; W198-Y201 AromaticContact CE3-CD1 3.68Å; W198-Y201 HydrophobicContact CE3-CD1 3.68Å; W198-Y201 HydrophobicContact CE3-CE1 4.03Å; W198-Y201 HydrophobicContact CH2-CD1 4.1Å; W198-Y201 AromaticContact CH2-CE1 3.9Å; W198-Y201 HydrophobicContact CH2-CE1 3.9Å; W198-Y201 HydrophobicContact CZ2-CD1 4.37Å; W198-Y201 AromaticContact CZ3-CD1 3.75Å; W198-Y201 HydrophobicContact CZ3-CD1 3.75Å; W198-Y201 AromaticContact CZ3-CE1 3.61Å; W198-Y201 HydrophobicContact CZ3-CE1 3.61Å; W198-Y201 VanDerWaalsContact O-CB 3.29Å; W198-Y201 WeakPolarHBondContact O-CB 3.44Å; W198-Y201 PolarHBondContact O-N 3.29Å; W198-A202 HydrophobicContact CB-CB 4.3Å; W198-A202 PolarHBondContact N-O 3.33Å; W198-A202 PolarHBondContact O-N 3.19Å
199	G	93.5	Very high	96.3	Very high	31 Å²	31	38.9 Å²	38.9	32%	0.32	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-148.5	-166.3	0	0	0	0	0	111.5	I182 Y201 S292	I182-G199 PolarHBondContact O-N 3.49Å; G199-Y201 PolarHBondContact O-N 3.4Å; G199-S292 WeakPolarHBondContact O-CA 3.43Å; G199-S292 WeakPolarHBondContact O-CB 3.27Å
200	S	88	Confident	96.3	Very high	119 Å²	119	39.1 Å²	39.1	83%	0.832	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	2.1	168.2	55.3	0	0	0	0	113.5
201	Y	91.3	Very high	96.2	Very high	100 Å²	100	39.4 Å²	39.4	39%	0.392	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-40.6	-169.7	-177.7	-128.7	0	0	0	112.6	P137 D139 W198 G199	P137-Y201 HydrophobicContact CB-CE1 3.98Å; P137-Y201 HydrophobicContact CB-CE2 4.25Å; P137-Y201 VanDerWaalsContact CB-OH 3.29Å; P137-Y201 WeakPolarHBondContact CB-OH 3.28Å; P137-Y201 HydrophobicContact CG-CD1 3.69Å; P137-Y201 HydrophobicContact CG-CE1 3.08Å; P137-Y201 HydrophobicContact CG-CE2 4.08Å; P137-Y201 HydrophobicContact CG-CG 4.39Å; P137-Y201 WeakPolarHBondContact CG-OH 3.32Å; D139-Y201 WeakPolarHBondContact CB-OH 3.43Å; D139-Y201 PolarHBondContact O-OH 3.06Å; D139-Y201 PolarHBondContact OD2-OH 3.26Å; W198-Y201 AromaticContact CD2-CD1 3.99Å; W198-Y201 HydrophobicContact CD2-CD1 3.99Å; W198-Y201 AromaticContact CE3-CD1 3.68Å; W198-Y201 HydrophobicContact CE3-CD1 3.68Å; W198-Y201 HydrophobicContact CE3-CE1 4.03Å; W198-Y201 HydrophobicContact CH2-CD1 4.1Å; W198-Y201 AromaticContact CH2-CE1 3.9Å; W198-Y201 HydrophobicContact CH2-CE1 3.9Å; W198-Y201 HydrophobicContact CZ2-CD1 4.37Å; W198-Y201 AromaticContact CZ3-CD1 3.75Å; W198-Y201 HydrophobicContact CZ3-CD1 3.75Å; W198-Y201 AromaticContact CZ3-CE1 3.61Å; W198-Y201 HydrophobicContact CZ3-CE1 3.61Å; W198-Y201 VanDerWaalsContact O-CB 3.29Å; W198-Y201 WeakPolarHBondContact O-CB 3.44Å; W198-Y201 PolarHBondContact O-N 3.29Å; G199-Y201 PolarHBondContact O-N 3.4Å
202	A	95.8	Very high	96.1	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.1	179	0	0	0	0	0	112.5	P137 W196 G197 W198	P137-A202 HydrophobicContact CG-CB 4.1Å; W196-A202 HydrophobicContact CH2-CB 4.17Å; W196-A202 HydrophobicContact CZ3-CB 3.77Å; G197-A202 CarbonylContact C-O 3.56Å; G197-A202 WeakPolarHBondContact CA-O 2.92Å; W198-A202 HydrophobicContact CB-CB 4.3Å; W198-A202 PolarHBondContact N-O 3.33Å; W198-A202 PolarHBondContact O-N 3.19Å
203	L	97.2	Very high	95.8	Very high	20 Å²	20	41.7 Å²	41.7	11%	0.105	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.8	179.7	-54.5	176.2	0	0	0	109.2	S135 L207 R208 I211 S292 V293	S135-L203 WeakPolarHBondContact CB-O 3.07Å; L203-L207 HydrophobicContact CB-CD2 4.24Å; L203-L207 HydrophobicContact CD2-CD2 3.76Å; L203-R208 HydrophobicContact CB-CG 4.08Å; L203-R208 PolarHBondContact O-NE 2.91Å; L203-I211 HydrophobicContact CD1-CD1 4.05Å; L203-S292 VanDerWaalsContact CD2-OG 3.31Å; L203-S292 WeakPolarHBondContact CD2-OG 3.36Å; L203-V293 HydrophobicContact CD1-CG1 4.39Å; L203-V293 HydrophobicContact CD2-CG1 4.21Å
204	S	97.5	Very high	95.3	Very high	2 Å²	2	42 Å²	42	1%	0.014	23%	0.225	C	C	.	.			trans	-61.5	156	174.2	85.4	0	0	0	0	112.4	T194 W196 D206 L207 R208	T194-S204 WeakPolarHBondContact O-CB 3.39Å; T194-S204 PolarHBondContact O-OG 3.05Å; W196-S204 PolarHBondContact N-OG 3.2Å; W196-S204 PolarHBondContact O-N 3.02Å; S204-D206 VanDerWaalsContact C-N 3.3Å; S204-D206 PolarHBondContact O-N 3.45Å; S204-L207 PolarHBondContact O-N 3.3Å; S204-L207 WeakPolarHBondContact OG-CB 3.48Å; S204-L207 PolarHBondContact OG-N 2.88Å; S204-R208 WeakPolarHBondContact O-CG 3.38Å; S204-R208 PolarHBondContact O-N 3.25Å
205	S	96.5	Very high	94.5	Very high	38 Å²	38	45.5 Å²	45.5	27%	0.266	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-41.7	174.8	55.6	0	0	0	0	112	L207 R208 M209	S205-L207 VanDerWaalsContact C-N 3.33Å; S205-L207 PolarHBondContact O-N 2.93Å; S205-R208 PolarHBondContact O-N 2.75Å; S205-M209 WeakPolarHBondContact O-CG 3.4Å; S205-M209 PolarHBondContact O-N 2.66Å
206	D	97.2	Very high	92.9	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.027	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-40.5	174.9	-74.5	-37.9	0	0	0	112.2	K193 T194 Y195 S204 M209 A210	K193-D206 HydrophobicContact CD-CB 4.16Å; K193-D206 VanDerWaalsContact CD-CG 3.4Å; K193-D206 WeakPolarHBondContact CD-OD1 3.06Å; K193-D206 IonicContact NZ-OD1 3.93Å; K193-D206 PolarHBondContact NZ-OD1 3.31Å; T194-D206 PolarHBondContact N-OD2 2.81Å; Y195-D206 HydrophobicContact CD1-CB 3.94Å; Y195-D206 HydrophobicContact CE1-CB 3.93Å; Y195-D206 WeakPolarHBondContact CE1-O 3.47Å; S204-D206 VanDerWaalsContact C-N 3.3Å; S204-D206 PolarHBondContact O-N 3.45Å; D206-M209 HydrophobicContact CB-CE 4.46Å; D206-M209 PolarHBondContact O-N 3.1Å; D206-M209 WeakPolarHBondContact OD1-CE 3.31Å; D206-A210 PolarHBondContact O-N 3.17Å
207	L	97.1	Very high	90.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67.6	-40.9	176.7	-171.4	59.5	0	0	0	112	Y195 W196 L203 S204 S205 M209 A210 I211 I265 V289 V293	Y195-L207 HydrophobicContact CD1-CB 4.32Å; Y195-L207 HydrophobicContact CD1-CD1 4.29Å; W196-L207 VanDerWaalsContact O-CD2 3.26Å; W196-L207 WeakPolarHBondContact O-CD2 3.36Å; L203-L207 HydrophobicContact CB-CD2 4.24Å; L203-L207 HydrophobicContact CD2-CD2 3.76Å; S204-L207 PolarHBondContact O-N 3.3Å; S204-L207 WeakPolarHBondContact OG-CB 3.48Å; S204-L207 PolarHBondContact OG-N 2.88Å; S205-L207 VanDerWaalsContact C-N 3.33Å; S205-L207 PolarHBondContact O-N 2.93Å; L207-M209 VanDerWaalsContact C-N 3.35Å; L207-M209 PolarHBondContact O-N 3.4Å; L207-A210 WeakPolarHBondContact O-CB 3.44Å; L207-A210 PolarHBondContact O-N 3.47Å; L207-I211 VanDerWaalsContact O-CG1 3.32Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.07Å; L207-I265 HydrophobicContact CD1-CD1 3.82Å; L207-I265 HydrophobicContact CD1-CG2 3.83Å; L207-V289 HydrophobicContact CD1-CG1 3.84Å; L207-V289 HydrophobicContact CD2-CG1 4.05Å; L207-V293 HydrophobicContact CD1-CG1 4.08Å; L207-V293 HydrophobicContact CD2-CG1 3.89Å; L207-V293 HydrophobicContact CG-CG1 3.92Å
208	R	96.6	Very high	88.3	Confident	119 Å²	119	61.5 Å²	61.5	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-41.7	172.8	-68.4	176.5	-173.2	-81.7	2.8	112	L203 S204 S205 I211 N212	L203-R208 HydrophobicContact CB-CG 4.08Å; L203-R208 PolarHBondContact O-NE 2.91Å; S204-R208 WeakPolarHBondContact O-CG 3.38Å; S204-R208 PolarHBondContact O-N 3.25Å; S205-R208 PolarHBondContact O-N 2.75Å; R208-I211 PolarHBondContact O-N 3.31Å; R208-N212 WeakPolarHBondContact O-CB 3.39Å; R208-N212 VanDerWaalsContact O-CG 3.23Å; R208-N212 PolarHBondContact O-N 2.88Å; R208-N212 PolarHBondContact O-ND2 3.2Å
209	M	96.3	Very high	86.2	Confident	95 Å²	95	68.8 Å²	68.8	47%	0.468	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-40.7	174.9	-74.2	-172.3	-68.7	0	0	111.9	S205 D206 L207 N212 S213	S205-M209 WeakPolarHBondContact O-CG 3.4Å; S205-M209 PolarHBondContact O-N 2.66Å; D206-M209 HydrophobicContact CB-CE 4.46Å; D206-M209 PolarHBondContact O-N 3.1Å; D206-M209 WeakPolarHBondContact OD1-CE 3.31Å; L207-M209 VanDerWaalsContact C-N 3.35Å; L207-M209 PolarHBondContact O-N 3.4Å; M209-N212 PolarHBondContact O-N 3.17Å; M209-S213 WeakPolarHBondContact O-CB 3.38Å; M209-S213 PolarHBondContact O-N 3.45Å
210	A	96.4	Very high	84.7	Confident	6 Å²	6	72.2 Å²	72.2	5%	0.05	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-47.2	174.7	0	0	0	0	0	111.6	Y195 D206 L207 N212 S213 I265 K266	Y195-A210 HydrophobicContact CD1-CB 4.48Å; Y195-A210 HydrophobicContact CE1-CB 4.03Å; D206-A210 PolarHBondContact O-N 3.17Å; L207-A210 WeakPolarHBondContact O-CB 3.44Å; L207-A210 PolarHBondContact O-N 3.47Å; A210-N212 VanDerWaalsContact C-N 3.34Å; A210-N212 PolarHBondContact O-N 3.15Å; A210-S213 PolarHBondContact O-N 2.89Å; A210-S213 PolarHBondContact O-OG 3.26Å; A210-I265 HydrophobicContact CB-CG2 4.08Å; A210-K266 HydrophobicContact CB-CG 3.68Å
211	I	95.2	Very high	84.1	Confident	51 Å²	51	72.7 Å²	72.7	26%	0.262	38%	0.376	S	S	.	.	H	α-helix	trans	-58.2	-46.3	175.4	-62.1	162.7	0	0	0	111.1	L203 L207 R208 S213 R214 I265 V293	L203-I211 HydrophobicContact CD1-CD1 4.05Å; L207-I211 VanDerWaalsContact O-CG1 3.32Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.07Å; R208-I211 PolarHBondContact O-N 3.31Å; I211-S213 PolarHBondContact O-N 3.42Å; I211-R214 WeakPolarHBondContact O-CB 3.48Å; I211-R214 WeakPolarHBondContact O-CG 3.45Å; I211-R214 PolarHBondContact O-N 3.16Å; I211-I265 HydrophobicContact CG1-CG2 3.87Å; I211-V293 HydrophobicContact CD1-CB 4.03Å; I211-V293 HydrophobicContact CD1-CG1 3.54Å; I211-V293 HydrophobicContact CG1-CB 4.4Å; I211-V293 HydrophobicContact CG1-CG1 4.07Å
212	N	94.2	Very high	84	Confident	133 Å²	133	70.2 Å²	70.2	71%	0.711	37%	0.369	S	S	*	.	H	α-helix	trans	-70.5	-19.6	-178.3	-68.3	-18.7	0	0	0	113.4	R208 M209 A210 R214	R208-N212 WeakPolarHBondContact O-CB 3.39Å; R208-N212 VanDerWaalsContact O-CG 3.23Å; R208-N212 PolarHBondContact O-N 2.88Å; R208-N212 PolarHBondContact O-ND2 3.2Å; M209-N212 PolarHBondContact O-N 3.17Å; A210-N212 VanDerWaalsContact C-N 3.34Å; A210-N212 PolarHBondContact O-N 3.15Å; N212-R214 VanDerWaalsContact C-N 3.26Å
213	S	90.3	Very high	83.7	Confident	63 Å²	63	70.1 Å²	70.1	44%	0.441	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.2	174.9	71.9	0	0	0	0	113.6	M209 A210 I211	M209-S213 WeakPolarHBondContact O-CB 3.38Å; M209-S213 PolarHBondContact O-N 3.45Å; A210-S213 PolarHBondContact O-N 2.89Å; A210-S213 PolarHBondContact O-OG 3.26Å; I211-S213 PolarHBondContact O-N 3.42Å
214	R	88.2	Confident	83.6	Confident	70 Å²	70	70 Å²	70	26%	0.264	37%	0.368	S	S	.	.	S	Bend	trans	-56.9	130.5	176	-75.3	-170.7	-171.5	-157.8	21.6	110.3	I211 N212 V216 I265 K266 A325	I211-R214 WeakPolarHBondContact O-CB 3.48Å; I211-R214 WeakPolarHBondContact O-CG 3.45Å; I211-R214 PolarHBondContact O-N 3.16Å; N212-R214 VanDerWaalsContact C-N 3.26Å; R214-V216 PolarHBondContact O-N 3.21Å; R214-I265 WeakPolarHBondContact CG-O 3.47Å; R214-I265 PolarHBondContact NE-O 2.95Å; R214-K266 WeakPolarHBondContact CA-O 3.18Å; R214-K266 WeakPolarHBondContact CG-O 3.29Å; R214-A325 PolarHBondContact NH1-O 3.48Å; R214-A325 PolarHBondContact NH2-O 3.04Å; R214-A325 VanDerWaalsContact NH2-O 3.08Å
215	P	80	Confident	83.5	Confident	73 Å²	73	70 Å²	70	47%	0.474	37%	0.367	S	S	.	.			trans	-55.7	116	174.2	-25	33.6	0	0	0	110.7	H217	P215-H217 PolarHBondContact O-N 2.81Å
216	V	66.3	Low	83.4	Confident	128 Å²	128	68.2 Å²	68.2	78%	0.776	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	111.4	173.1	176.7	0	0	0	0	107.1	R214	R214-V216 PolarHBondContact O-N 3.21Å
217	H	50.9	Low	83.3	Confident	166 Å²	166	69.1 Å²	69.1	77%	0.769	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	66.9	179.7	-57.9	-65.6	0	0	0	114	P215 L219	P215-H217 PolarHBondContact O-N 2.81Å; H217-L219 VanDerWaalsContact C-N 3.26Å; H217-L219 PolarHBondContact O-N 2.89Å
218	S	49.1	Very low	83.2	Confident	56 Å²	56	69.6 Å²	69.6	39%	0.392	36%	0.362	S	S	.	.			trans	-68.4	98.6	159.4	111.9	0	0	0	0	107.7	K220	S218-K220 PolarHBondContact O-N 3.41Å; S218-K220 VanDerWaalsContact OG-CB 3.29Å; S218-K220 WeakPolarHBondContact OG-CB 3.03Å; S218-K220 VanDerWaalsContact OG-CD 3.31Å; S218-K220 WeakPolarHBondContact OG-CD 3.22Å; S218-K220 WeakPolarHBondContact OG-CG 3.22Å
219	L	52	Low	83	Confident	167 Å²	167	67.3 Å²	67.3	87%	0.874	35%	0.353	S	S	*	.			trans	-54.5	25.3	155.8	-71.6	146.9	0	0	0	112.1	H217 N221	H217-L219 VanDerWaalsContact C-N 3.26Å; H217-L219 PolarHBondContact O-N 2.89Å; L219-N221 PolarHBondContact O-N 3.24Å
220	K	62.1	Low	82.5	Confident	103 Å²	103	66.2 Å²	66.2	45%	0.448	36%	0.355	S	S	.	.			trans	-69.8	105	174.2	-69.8	-179.2	-174.9	177.2	0	106	S218 D222 L224	S218-K220 PolarHBondContact O-N 3.41Å; S218-K220 VanDerWaalsContact OG-CB 3.29Å; S218-K220 WeakPolarHBondContact OG-CB 3.03Å; S218-K220 VanDerWaalsContact OG-CD 3.31Å; S218-K220 WeakPolarHBondContact OG-CD 3.22Å; S218-K220 WeakPolarHBondContact OG-CG 3.22Å; K220-D222 PolarHBondContact O-N 3.06Å; K220-L224 HydrophobicContact CD-CD1 4.27Å
221	N	75.8	Confident	81.5	Confident	130 Å²	130	70.1 Å²	70.1	70%	0.695	37%	0.372	S	S	*	.			trans	-56.4	-19.4	159.7	-87.1	-6.9	0	0	0	110.7	L219 K247	L219-N221 PolarHBondContact O-N 3.24Å; N221-K247 WeakPolarHBondContact O-CE 3.49Å; N221-K247 WeakPolarHBondContact O-CG 3.43Å
222	D	88.2	Confident	80.4	Confident	48 Å²	48	72.8 Å²	72.8	26%	0.257	39%	0.386	S	S	.	.	S	Bend	trans	-82.8	150.5	-175.6	-53.9	1.4	0	0	0	111.4	K220 K247 P248 H250	K220-D222 PolarHBondContact O-N 3.06Å; D222-K247 WeakPolarHBondContact O-CE 3.33Å; D222-K247 PolarHBondContact O-NZ 3.24Å; D222-P248 CarbonylContact C-O 3.54Å; D222-P248 VanDerWaalsContact CA-O 3.26Å; D222-P248 WeakPolarHBondContact CA-O 3.46Å; D222-P248 HydrophobicContact CB-CB 4.31Å; D222-P248 WeakPolarHBondContact OD1-CB 3.42Å; D222-P248 WeakPolarHBondContact OD1-CG 3.28Å; D222-H250 IonicContact OD2-CD2 2.62Å; D222-H250 PolarHBondContact OD2-CD2 3.27Å; D222-H250 IonicContact OD2-CE1 2.71Å; D222-H250 IonicContact OD2-NE2 3.01Å; D222-H250 PolarHBondContact OD2-NE2 3.27Å
223	L	91.1	Very high	79.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.2	173.2	-171.3	68	0	0	0	108.9	I225 V244 K247 P248 V249 H250 D270 M271 W333	L223-I225 HydrophobicContact CD2-CD1 3.98Å; L223-I225 HydrophobicContact CD2-CG1 4.19Å; L223-I225 HydrophobicContact CG-CD1 4.45Å; L223-I225 HydrophobicContact CG-CG1 4.12Å; L223-V244 HydrophobicContact CB-CG1 4.46Å; L223-V244 HydrophobicContact CD2-CG1 3.59Å; L223-V244 HydrophobicContact CD2-CG2 4.26Å; L223-K247 HydrophobicContact CB-CD 3.96Å; L223-K247 HydrophobicContact CB-CG 4.41Å; L223-P248 PolarHBondContact N-O 3.42Å; L223-V249 HydrophobicContact CB-CB 4.45Å; L223-V249 HydrophobicContact CB-CG2 4.32Å; L223-V249 CarbonylContact O-C 3.56Å; L223-V249 VanDerWaalsContact O-CA 3.26Å; L223-V249 WeakPolarHBondContact O-CA 3.45Å; L223-V249 WeakPolarHBondContact O-CG2 3.39Å; L223-H250 PolarHBondContact O-N 3.48Å; L223-D270 HydrophobicContact CD1-CB 4.01Å; L223-M271 HydrophobicContact CD1-SD 3.81Å; L223-M271 HydrophobicContact CD2-SD 3.74Å; L223-M271 HydrophobicContact CG-SD 4.09Å; L223-W333 HydrophobicContact CD2-CH2 4.25Å; L223-W333 HydrophobicContact CD2-CZ2 3.83Å
224	L	94.4	Very high	79.7	Confident	17 Å²	17	74 Å²	74	9%	0.089	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.6	179.6	-55.7	-179.1	0	0	0	109.6	K220 H250 I252 D270 M271	K220-L224 HydrophobicContact CD-CD1 4.27Å; L224-H250 WeakPolarHBondContact CA-O 3.48Å; L224-H250 HydrophobicContact CD2-CB 3.79Å; L224-I252 HydrophobicContact CB-CD1 4.15Å; L224-D270 PolarHBondContact N-OD2 3.04Å; L224-D270 WeakPolarHBondContact O-CA 2.95Å; L224-D270 WeakPolarHBondContact O-CB 3.44Å; L224-D270 PolarHBondContact O-N 3.47Å; L224-M271 PolarHBondContact O-N 3.37Å; L224-M271 VanDerWaalsContact O-N 3.15Å
225	I	94.8	Very high	79.8	Confident	1 Å²	1	74 Å²	74	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.4	-178.5	-56.3	-175.8	0	0	0	109.4	L223 V249 H250 F251 I252 M271 I273	L223-I225 HydrophobicContact CD2-CD1 3.98Å; L223-I225 HydrophobicContact CD2-CG1 4.19Å; L223-I225 HydrophobicContact CG-CD1 4.45Å; L223-I225 HydrophobicContact CG-CG1 4.12Å; I225-V249 HydrophobicContact CD1-CG2 3.63Å; I225-V249 HydrophobicContact CG1-CG2 3.82Å; I225-H250 PolarHBondContact N-O 3.43Å; I225-F251 HydrophobicContact CB-CD1 3.84Å; I225-F251 HydrophobicContact CB-CE1 4.04Å; I225-F251 HydrophobicContact CD1-CE1 3.93Å; I225-F251 HydrophobicContact CD1-CZ 4.5Å; I225-F251 HydrophobicContact CG1-CE1 4.48Å; I225-F251 HydrophobicContact CG2-CD1 4.09Å; I225-F251 HydrophobicContact CG2-CE1 4.19Å; I225-F251 CarbonylContact O-C 3.56Å; I225-F251 VanDerWaalsContact O-CA 3.29Å; I225-F251 WeakPolarHBondContact O-CA 3.35Å; I225-I252 PolarHBondContact O-N 3.14Å; I225-M271 CarbonylContact C-O 3.55Å; I225-M271 WeakPolarHBondContact CA-O 3.48Å; I225-M271 HydrophobicContact CG1-CB 4.32Å; I225-I273 HydrophobicContact CD1-CD1 4.17Å; I225-I273 HydrophobicContact CG2-CB 4.31Å; I225-I273 HydrophobicContact CG2-CD1 3.96Å; I225-I273 HydrophobicContact CG2-CG1 4.03Å
226	T	96.2	Very high	80.1	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.006	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	147.9	169.5	-167	0	0	0	0	111.3	I252 K260 L264 A269 M271 Y272 I273	T226-I252 VanDerWaalsContact CA-O 3.26Å; T226-I252 WeakPolarHBondContact CA-O 3.38Å; T226-I252 PolarHBondContact OG1-O 2.87Å; T226-K260 HydrophobicContact CG2-CB 4.14Å; T226-K260 HydrophobicContact CG2-CD 4.42Å; T226-K260 HydrophobicContact CG2-CG 4.15Å; T226-L264 HydrophobicContact CG2-CD2 4.45Å; T226-A269 HydrophobicContact CG2-CB 3.92Å; T226-M271 PolarHBondContact N-O 3.34Å; T226-Y272 HydrophobicContact CG2-CD2 4.1Å; T226-Y272 HydrophobicContact CG2-CG 4.18Å; T226-Y272 WeakPolarHBondContact O-CA 3.28Å; T226-Y272 WeakPolarHBondContact O-CD2 3.49Å; T226-I273 PolarHBondContact O-N 3.49Å
227	Y	94.9	Very high	81.2	Confident	24 Å²	24	67.2 Å²	67.2	9%	0.094	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	167.2	179.6	69.7	-75.8	0	0	0	110	R229 L232 L237 F251 I252 P253 A254	Y227-R229 PolarHBondContact O-N 3.38Å; Y227-L232 HydrophobicContact CE2-CD2 3.49Å; Y227-L232 VanDerWaalsContact CE2-CD2 3.49Å; Y227-L232 HydrophobicContact CE2-CG 4.11Å; Y227-L232 WeakPolarHBondContact OH-CD2 3.46Å; Y227-L237 HydrophobicContact CE1-CD1 4.49Å; Y227-L237 HydrophobicContact CE1-CD2 4.49Å; Y227-L237 HydrophobicContact CE2-CD1 4.3Å; Y227-F251 HydrophobicContact CD1-CB 4.13Å; Y227-F251 HydrophobicContact CD1-CD1 4.48Å; Y227-F251 HydrophobicContact CE1-CB 3.64Å; Y227-I252 PolarHBondContact N-O 3.23Å; Y227-P253 HydrophobicContact CE1-CB 3.94Å; Y227-P253 HydrophobicContact CE1-CG 4.47Å; Y227-P253 HydrophobicContact CE2-CB 4.25Å; Y227-A254 PolarHBondContact O-N 3.48Å
228	S	94.3	Very high	83.2	Confident	11 Å²	11	65.1 Å²	65.1	8%	0.077	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.2	-179.2	173.1	0	0	0	0	112.1	S230 H231 A254	S228-S230 VanDerWaalsContact C-N 3.27Å; S228-S230 PolarHBondContact O-N 2.78Å; S228-S230 PolarHBondContact OG-N 3.49Å; S228-H231 CarbonylContact O-C 3.55Å; S228-H231 PolarHBondContact O-N 3.07Å; S228-H231 VanDerWaalsContact O-N 3.08Å; S228-H231 PolarHBondContact OG-ND1 2.89Å; S228-A254 WeakPolarHBondContact CA-O 3.41Å
229	R	92.5	Very high	85.2	Confident	71 Å²	71	65.4 Å²	65.4	27%	0.268	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-61.6	-31.2	174.8	65.6	-171.3	-70.6	-104.1	4.9	114.2	E160 E163 L165 Y227 H231 L232 P253 A254	E160-R229 VanDerWaalsContact OE1-CD 3.25Å; E160-R229 WeakPolarHBondContact OE1-CD 3.32Å; E160-R229 WeakPolarHBondContact OE1-CG 3.42Å; E160-R229 IonicContact OE1-CZ 3.39Å; E160-R229 IonicContact OE1-NE 2.71Å; E160-R229 IonicContact OE1-NH1 2.96Å; E160-R229 PolarHBondContact OE1-NH1 2.58Å; E163-R229 IonicContact OE2-CZ 3.26Å; E163-R229 IonicContact OE2-NH1 2.66Å; E163-R229 PolarHBondContact OE2-NH1 3Å; E163-R229 IonicContact OE2-NH2 2.78Å; E163-R229 PolarHBondContact OE2-NH2 2.88Å; L165-R229 VanDerWaalsContact CD1-NH2 3.32Å; Y227-R229 PolarHBondContact O-N 3.38Å; R229-H231 PolarHBondContact O-N 3.15Å; R229-L232 VanDerWaalsContact O-CD1 3.26Å; R229-L232 WeakPolarHBondContact O-CD1 3.47Å; R229-L232 VanDerWaalsContact O-CG 3.31Å; R229-L232 WeakPolarHBondContact O-CG 3.37Å; R229-P253 HydrophobicContact CB-CB 3.98Å; R229-A254 PolarHBondContact N-O 3.47Å; R229-A254 VanDerWaalsContact N-O 3.09Å
230	S	85	Confident	87	Confident	71 Å²	71	57.6 Å²	57.6	50%	0.497	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-76.2	-7.9	177.1	-48.4	0	0	0	0	114	S228	S228-S230 VanDerWaalsContact C-N 3.27Å; S228-S230 PolarHBondContact O-N 2.78Å; S228-S230 PolarHBondContact OG-N 3.49Å
231	H	76.1	Confident	88.4	Confident	89 Å²	89	55.7 Å²	55.7	41%	0.412	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-124.4	40.8	-176.3	-61.2	101	0	0	0	111	S228 R229 N233 H274 S276	S228-H231 CarbonylContact O-C 3.55Å; S228-H231 PolarHBondContact O-N 3.07Å; S228-H231 VanDerWaalsContact O-N 3.08Å; S228-H231 PolarHBondContact OG-ND1 2.89Å; R229-H231 PolarHBondContact O-N 3.15Å; H231-N233 PolarHBondContact O-N 2.78Å; H231-H274 AromaticContact ND1-CE1 3.86Å; H231-S276 PolarHBondContact CD2-OG 3.15Å
232	L	72.9	Confident	89.1	Confident	107 Å²	107	56.4 Å²	56.4	56%	0.56	29%	0.288	S	S	*	.			trans	-60.4	117.3	174.8	-77.2	156.8	0	0	0	110.8	Y227 R229	Y227-L232 HydrophobicContact CE2-CD2 3.49Å; Y227-L232 VanDerWaalsContact CE2-CD2 3.49Å; Y227-L232 HydrophobicContact CE2-CG 4.11Å; Y227-L232 WeakPolarHBondContact OH-CD2 3.46Å; R229-L232 VanDerWaalsContact O-CD1 3.26Å; R229-L232 WeakPolarHBondContact O-CD1 3.47Å; R229-L232 VanDerWaalsContact O-CG 3.31Å; R229-L232 WeakPolarHBondContact O-CG 3.37Å
233	N	83.8	Confident	89.2	Confident	84 Å²	84	57.3 Å²	57.3	45%	0.449	29%	0.29	S	S	.	.			trans	-124.3	94.3	168.2	-176.6	-19.7	0	0	0	109.3	H231 S235 L236 L237	H231-N233 PolarHBondContact O-N 2.78Å; N233-S235 PolarHBondContact O-N 2.86Å; N233-S235 WeakPolarHBondContact OD1-CB 3.49Å; N233-S235 PolarHBondContact OD1-N 3.3Å; N233-L236 HydrophobicContact CB-CB 3.89Å; N233-L236 WeakPolarHBondContact O-CB 3.44Å; N233-L236 PolarHBondContact O-N 3.36Å; N233-L236 VanDerWaalsContact O-N 3.12Å; N233-L236 PolarHBondContact OD1-N 2.91Å; N233-L236 VanDerWaalsContact OD1-N 3.15Å; N233-L237 WeakPolarHBondContact O-CG 3.45Å; N233-L237 PolarHBondContact O-N 2.87Å
234	E	85.8	Confident	89	Confident	137 Å²	137	57.5 Å²	57.5	64%	0.64	29%	0.291	S	S	*	.	H	α-helix	trans	-58.3	-34	-177	-67.1	-172.5	-176.9	0	0	113.5	L237 K238	E234-L237 PolarHBondContact O-N 3.48Å; E234-K238 VanDerWaalsContact O-CG 3.3Å; E234-K238 WeakPolarHBondContact O-CG 3.29Å; E234-K238 PolarHBondContact O-N 2.99Å
235	S	89.1	Confident	88.7	Confident	70 Å²	70	65.5 Å²	65.5	49%	0.49	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-47.3	177.5	-165.7	0	0	0	0	110.1	N233 L237 K238 D239	N233-S235 PolarHBondContact O-N 2.86Å; N233-S235 WeakPolarHBondContact OD1-CB 3.49Å; N233-S235 PolarHBondContact OD1-N 3.3Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 3.4Å; S235-K238 WeakPolarHBondContact O-CB 3.42Å; S235-K238 PolarHBondContact O-N 2.96Å; S235-K238 VanDerWaalsContact O-N 3.16Å; S235-D239 PolarHBondContact O-N 3.21Å
236	L	88.1	Confident	88.3	Confident	28 Å²	28	70.5 Å²	70.5	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-41.3	178.9	-173.3	65.5	0	0	0	112.1	N233 K238 D239 L240 P275 F340 F341	N233-L236 HydrophobicContact CB-CB 3.89Å; N233-L236 WeakPolarHBondContact O-CB 3.44Å; N233-L236 PolarHBondContact O-N 3.36Å; N233-L236 VanDerWaalsContact O-N 3.12Å; N233-L236 PolarHBondContact OD1-N 2.91Å; N233-L236 VanDerWaalsContact OD1-N 3.15Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.49Å; L236-D239 PolarHBondContact O-N 3.09Å; L236-L240 HydrophobicContact CG-CD1 4.2Å; L236-L240 WeakPolarHBondContact O-CB 3.16Å; L236-L240 WeakPolarHBondContact O-CG 3.45Å; L236-L240 PolarHBondContact O-N 2.85Å; L236-P275 HydrophobicContact CD2-CB 3.96Å; L236-P275 HydrophobicContact CD2-CG 3.27Å; L236-F340 HydrophobicContact CD1-CE1 3.68Å; L236-F340 HydrophobicContact CD1-CZ 3.95Å; L236-F341 HydrophobicContact CD1-CE1 3.9Å; L236-F341 HydrophobicContact CD1-CZ 4.43Å; L236-F341 HydrophobicContact CD2-CE1 4.11Å; L236-F341 HydrophobicContact CD2-CZ 4.44Å
237	L	89.2	Confident	87.9	Confident	30 Å²	30	73.4 Å²	73.4	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-62.3	-41.1	175.9	-62	-178.2	0	0	0	111.5	Y227 N233 E234 S235 T241 F251	Y227-L237 HydrophobicContact CE1-CD1 4.49Å; Y227-L237 HydrophobicContact CE1-CD2 4.49Å; Y227-L237 HydrophobicContact CE2-CD1 4.3Å; N233-L237 WeakPolarHBondContact O-CG 3.45Å; N233-L237 PolarHBondContact O-N 2.87Å; E234-L237 PolarHBondContact O-N 3.48Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 3.4Å; L237-T241 WeakPolarHBondContact O-CB 3.45Å; L237-T241 PolarHBondContact O-N 2.97Å; L237-T241 PolarHBondContact O-OG1 3Å; L237-F251 HydrophobicContact CB-CE2 4.4Å; L237-F251 HydrophobicContact CD2-CD1 3.57Å; L237-F251 HydrophobicContact CD2-CD2 4.46Å; L237-F251 HydrophobicContact CD2-CE1 3.73Å; L237-F251 HydrophobicContact CD2-CG 3.95Å; L237-F251 HydrophobicContact CD2-CZ 4.27Å
238	K	91.2	Very high	87.7	Confident	123 Å²	123	75.1 Å²	75.1	54%	0.535	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-41.7	175.6	-73.5	168.8	-173.8	167.5	0	111.6	E234 S235 L236 T241 K242	E234-K238 VanDerWaalsContact O-CG 3.3Å; E234-K238 WeakPolarHBondContact O-CG 3.29Å; E234-K238 PolarHBondContact O-N 2.99Å; S235-K238 WeakPolarHBondContact O-CB 3.42Å; S235-K238 PolarHBondContact O-N 2.96Å; S235-K238 VanDerWaalsContact O-N 3.16Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.49Å; K238-T241 WeakPolarHBondContact O-CB 3.26Å; K238-T241 PolarHBondContact O-N 3.32Å; K238-K242 WeakPolarHBondContact O-CG 3.38Å; K238-K242 PolarHBondContact O-N 2.62Å; K238-K242 VanDerWaalsContact O-N 3.15Å
239	D	91.6	Very high	87.6	Confident	61 Å²	61	75.6 Å²	75.6	33%	0.326	38%	0.383	S	S	.	.	H	α-helix	trans	-73.8	-38.3	-178.8	-64.5	-29.8	0	0	0	111.9	S235 L236 T241 K242 F243 F340	S235-D239 PolarHBondContact O-N 3.21Å; L236-D239 PolarHBondContact O-N 3.09Å; D239-T241 VanDerWaalsContact C-N 3.31Å; D239-T241 PolarHBondContact O-N 3.11Å; D239-K242 PolarHBondContact O-N 2.91Å; D239-K242 IonicContact OD1-NZ 3.96Å; D239-K242 PolarHBondContact OD1-NZ 2.9Å; D239-K242 VanDerWaalsContact OD1-NZ 3.08Å; D239-F243 WeakPolarHBondContact O-CB 3.42Å; D239-F243 PolarHBondContact O-N 3.01Å; D239-F340 HydrophobicContact CB-CE2 4.08Å; D239-F340 HydrophobicContact CB-CZ 3.96Å
240	L	90	Very high	87.6	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.021	39%	0.391	C	S	.	.	H	α-helix	trans	-59.9	-40.1	169.2	-78.2	171.8	0	0	0	112	L236 K242 F243 V244 F251 I273 F340 F341	L236-L240 HydrophobicContact CG-CD1 4.2Å; L236-L240 WeakPolarHBondContact O-CB 3.16Å; L236-L240 WeakPolarHBondContact O-CG 3.45Å; L236-L240 PolarHBondContact O-N 2.85Å; L240-K242 PolarHBondContact O-N 3.06Å; L240-F243 PolarHBondContact O-N 3.43Å; L240-V244 WeakPolarHBondContact O-CB 3.27Å; L240-V244 VanDerWaalsContact O-CG2 3.27Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.32Å; L240-F251 HydrophobicContact CB-CE1 4.3Å; L240-F251 HydrophobicContact CB-CZ 3.91Å; L240-F251 HydrophobicContact CD1-CE1 4.25Å; L240-I273 HydrophobicContact CD1-CD1 4.48Å; L240-F340 HydrophobicContact CB-CZ 4.39Å; L240-F340 HydrophobicContact CD2-CD1 3.52Å; L240-F340 HydrophobicContact CD2-CD2 4.43Å; L240-F340 HydrophobicContact CD2-CE1 3.26Å; L240-F340 HydrophobicContact CD2-CE2 4.22Å; L240-F340 HydrophobicContact CD2-CG 4.11Å; L240-F340 HydrophobicContact CD2-CZ 3.65Å; L240-F340 HydrophobicContact CG-CD1 4.33Å; L240-F340 HydrophobicContact CG-CE1 3.57Å; L240-F340 HydrophobicContact CG-CE2 4.47Å; L240-F340 HydrophobicContact CG-CZ 3.65Å; L240-F341 HydrophobicContact CD2-CE2 4.48Å; L240-F341 HydrophobicContact CD2-CZ 4.48Å
241	T	91.3	Very high	88	Confident	62 Å²	62	75.6 Å²	75.6	38%	0.38	38%	0.377	S	S	.	.	H	α-helix	trans	-59.3	-46.7	176.1	-55.7	0	0	0	0	111.6	L237 K238 D239 F243 Y245 V249 F251	L237-T241 WeakPolarHBondContact O-CB 3.45Å; L237-T241 PolarHBondContact O-N 2.97Å; L237-T241 PolarHBondContact O-OG1 3Å; K238-T241 WeakPolarHBondContact O-CB 3.26Å; K238-T241 PolarHBondContact O-N 3.32Å; D239-T241 VanDerWaalsContact C-N 3.31Å; D239-T241 PolarHBondContact O-N 3.11Å; T241-F243 VanDerWaalsContact C-N 3.34Å; T241-Y245 PolarHBondContact O-N 2.79Å; T241-V249 HydrophobicContact CG2-CG1 3.85Å; T241-F251 VanDerWaalsContact OG1-CE2 3.31Å; T241-F251 WeakPolarHBondContact OG1-CE2 3.35Å
242	K	91.6	Very high	88.9	Confident	146 Å²	146	74.3 Å²	74.3	64%	0.635	37%	0.372	S	S	*	.	H	α-helix	trans	-65.1	-40.3	177.7	-66.3	168.5	-167.1	158.3	0	111.4	K238 D239 L240 Y245	K238-K242 WeakPolarHBondContact O-CG 3.38Å; K238-K242 PolarHBondContact O-N 2.62Å; K238-K242 VanDerWaalsContact O-N 3.15Å; D239-K242 PolarHBondContact O-N 2.91Å; D239-K242 IonicContact OD1-NZ 3.96Å; D239-K242 PolarHBondContact OD1-NZ 2.9Å; D239-K242 VanDerWaalsContact OD1-NZ 3.08Å; L240-K242 PolarHBondContact O-N 3.06Å; K242-Y245 WeakPolarHBondContact O-CB 3.11Å; K242-Y245 PolarHBondContact O-N 3.14Å
243	F	89.6	Confident	90	Very high	67 Å²	67	71.9 Å²	71.9	29%	0.294	36%	0.363	S	S	.	.	H	α-helix	trans	-65.5	-36.5	-178.8	179.2	-102.8	0	0	0	113.3	D239 L240 T241 K336 F340	D239-F243 WeakPolarHBondContact O-CB 3.42Å; D239-F243 PolarHBondContact O-N 3.01Å; L240-F243 PolarHBondContact O-N 3.43Å; T241-F243 VanDerWaalsContact C-N 3.34Å; F243-K336 HydrophobicContact CE1-CB 3.78Å; F243-K336 WeakPolarHBondContact CE1-O 3.45Å; F243-K336 HydrophobicContact CZ-CB 3.68Å; F243-K336 WeakPolarHBondContact CZ-O 3.48Å; F243-F340 HydrophobicContact CB-CD2 3.73Å; F243-F340 HydrophobicContact CB-CE2 3.93Å; F243-F340 HydrophobicContact CD1-CB 4.16Å; F243-F340 HydrophobicContact CD1-CD2 4.06Å; F243-F340 HydrophobicContact CD1-CG 4.28Å; F243-F340 HydrophobicContact CD2-CB 4.28Å; F243-F340 AromaticContact CD2-CD2 3.78Å; F243-F340 HydrophobicContact CD2-CD2 3.78Å; F243-F340 HydrophobicContact CD2-CG 4.46Å; F243-F340 HydrophobicContact CE1-CB 3.97Å; F243-F340 HydrophobicContact CE2-CB 4.1Å; F243-F340 HydrophobicContact CE2-CD2 4.42Å; F243-F340 HydrophobicContact CG-CB 4.31Å; F243-F340 AromaticContact CG-CD2 3.57Å; F243-F340 HydrophobicContact CG-CD2 3.57Å; F243-F340 HydrophobicContact CG-CE2 4.28Å; F243-F340 HydrophobicContact CG-CG 4.22Å; F243-F340 HydrophobicContact CZ-CB 3.95Å
244	V	87.7	Confident	90.6	Very high	4 Å²	4	68 Å²	68	2%	0.024	34%	0.342	C	S	.	.	H	α-helix	trans	-81.5	-13.5	-177.5	171	0	0	0	0	113.1	L223 L240 K247 V249 W333	L223-V244 HydrophobicContact CB-CG1 4.46Å; L223-V244 HydrophobicContact CD2-CG1 3.59Å; L223-V244 HydrophobicContact CD2-CG2 4.26Å; L240-V244 WeakPolarHBondContact O-CB 3.27Å; L240-V244 VanDerWaalsContact O-CG2 3.27Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.32Å; V244-K247 HydrophobicContact CG1-CB 4.01Å; V244-K247 WeakPolarHBondContact O-CB 3.24Å; V244-K247 PolarHBondContact O-N 3.49Å; V244-K247 VanDerWaalsContact O-N 3.15Å; V244-V249 HydrophobicContact CG1-CB 4.32Å; V244-W333 HydrophobicContact CB-CH2 4.22Å; V244-W333 HydrophobicContact CG1-CH2 3.78Å; V244-W333 HydrophobicContact CG1-CZ2 4.35Å; V244-W333 HydrophobicContact CG2-CH2 4.04Å; V244-W333 HydrophobicContact CG2-CZ3 3.95Å
245	Y	86.3	Confident	91.1	Very high	185 Å²	185	61.5 Å²	61.5	73%	0.725	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	142.2	177.9	-173.4	-89.3	0	0	0	112.4	T241 K242	T241-Y245 PolarHBondContact O-N 2.79Å; K242-Y245 WeakPolarHBondContact O-CB 3.11Å; K242-Y245 PolarHBondContact O-N 3.14Å
246	P	88	Confident	91.4	Very high	105 Å²	105	58.4 Å²	58.4	68%	0.682	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.1	4.8	9.1	34.9	-37.3	0	0	0	115.5	P248	P246-P248 WeakPolarHBondContact O-CD 3.06Å
247	K	86.8	Confident	91.9	Very high	62 Å²	62	57.5 Å²	57.5	27%	0.27	29%	0.288	S	S	.	.	S	Bend	trans	-73.1	121.2	179.9	-160.1	176.9	178	-169.5	0	109.2	N221 D222 L223 V244 W333	N221-K247 WeakPolarHBondContact O-CE 3.49Å; N221-K247 WeakPolarHBondContact O-CG 3.43Å; D222-K247 WeakPolarHBondContact O-CE 3.33Å; D222-K247 PolarHBondContact O-NZ 3.24Å; L223-K247 HydrophobicContact CB-CD 3.96Å; L223-K247 HydrophobicContact CB-CG 4.41Å; V244-K247 HydrophobicContact CG1-CB 4.01Å; V244-K247 WeakPolarHBondContact O-CB 3.24Å; V244-K247 PolarHBondContact O-N 3.49Å; V244-K247 VanDerWaalsContact O-N 3.15Å; K247-W333 HydrophobicContact CD-CZ2 4.4Å
248	P	90.2	Very high	92.3	Very high	61 Å²	61	56 Å²	56	40%	0.396	28%	0.281	S	S	.	.			trans	-59.3	146.4	172.1	-20.3	32.4	0	0	0	110	D222 L223 P246	D222-P248 CarbonylContact C-O 3.54Å; D222-P248 VanDerWaalsContact CA-O 3.26Å; D222-P248 WeakPolarHBondContact CA-O 3.46Å; D222-P248 HydrophobicContact CB-CB 4.31Å; D222-P248 WeakPolarHBondContact OD1-CB 3.42Å; D222-P248 WeakPolarHBondContact OD1-CG 3.28Å; L223-P248 PolarHBondContact N-O 3.42Å; P246-P248 WeakPolarHBondContact O-CD 3.06Å
249	V	92	Very high	92.7	Very high	21 Å²	21	52.2 Å²	52.2	13%	0.127	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.5	179.8	62.8	0	0	0	0	110.3	L223 I225 T241 V244 F251	L223-V249 HydrophobicContact CB-CB 4.45Å; L223-V249 HydrophobicContact CB-CG2 4.32Å; L223-V249 CarbonylContact O-C 3.56Å; L223-V249 VanDerWaalsContact O-CA 3.26Å; L223-V249 WeakPolarHBondContact O-CA 3.45Å; L223-V249 WeakPolarHBondContact O-CG2 3.39Å; I225-V249 HydrophobicContact CD1-CG2 3.63Å; I225-V249 HydrophobicContact CG1-CG2 3.82Å; T241-V249 HydrophobicContact CG2-CG1 3.85Å; V244-V249 HydrophobicContact CG1-CB 4.32Å; V249-F251 HydrophobicContact CB-CE2 4.46Å; V249-F251 HydrophobicContact CG1-CD2 4.49Å; V249-F251 HydrophobicContact CG1-CE2 3.66Å; V249-F251 HydrophobicContact CG1-CZ 4.02Å; V249-F251 HydrophobicContact CG2-CD2 4.43Å; V249-F251 HydrophobicContact CG2-CE1 4.22Å; V249-F251 HydrophobicContact CG2-CE2 3.95Å; V249-F251 HydrophobicContact CG2-CZ 3.85Å
250	H	92.6	Very high	93	Very high	96 Å²	96	49.7 Å²	49.7	44%	0.444	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.6	169.7	-60.7	-82.7	0	0	0	109.2	D222 L223 L224 I225	D222-H250 IonicContact OD2-CD2 2.62Å; D222-H250 PolarHBondContact OD2-CD2 3.27Å; D222-H250 IonicContact OD2-CE1 2.71Å; D222-H250 IonicContact OD2-NE2 3.01Å; D222-H250 PolarHBondContact OD2-NE2 3.27Å; L223-H250 PolarHBondContact O-N 3.48Å; L224-H250 WeakPolarHBondContact CA-O 3.48Å; L224-H250 HydrophobicContact CD2-CB 3.79Å; I225-H250 PolarHBondContact N-O 3.43Å
251	F	93.9	Very high	93.4	Very high	46 Å²	46	49.6 Å²	49.6	20%	0.202	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.4	178.9	-64.8	-83.8	0	0	0	110.6	I225 Y227 L237 L240 T241 V249 P253	I225-F251 HydrophobicContact CB-CD1 3.84Å; I225-F251 HydrophobicContact CB-CE1 4.04Å; I225-F251 HydrophobicContact CD1-CE1 3.93Å; I225-F251 HydrophobicContact CD1-CZ 4.5Å; I225-F251 HydrophobicContact CG1-CE1 4.48Å; I225-F251 HydrophobicContact CG2-CD1 4.09Å; I225-F251 HydrophobicContact CG2-CE1 4.19Å; I225-F251 CarbonylContact O-C 3.56Å; I225-F251 VanDerWaalsContact O-CA 3.29Å; I225-F251 WeakPolarHBondContact O-CA 3.35Å; Y227-F251 HydrophobicContact CD1-CB 4.13Å; Y227-F251 HydrophobicContact CD1-CD1 4.48Å; Y227-F251 HydrophobicContact CE1-CB 3.64Å; L237-F251 HydrophobicContact CB-CE2 4.4Å; L237-F251 HydrophobicContact CD2-CD1 3.57Å; L237-F251 HydrophobicContact CD2-CD2 4.46Å; L237-F251 HydrophobicContact CD2-CE1 3.73Å; L237-F251 HydrophobicContact CD2-CG 3.95Å; L237-F251 HydrophobicContact CD2-CZ 4.27Å; L240-F251 HydrophobicContact CB-CE1 4.3Å; L240-F251 HydrophobicContact CB-CZ 3.91Å; L240-F251 HydrophobicContact CD1-CE1 4.25Å; T241-F251 VanDerWaalsContact OG1-CE2 3.31Å; T241-F251 WeakPolarHBondContact OG1-CE2 3.35Å; V249-F251 HydrophobicContact CB-CE2 4.46Å; V249-F251 HydrophobicContact CG1-CD2 4.49Å; V249-F251 HydrophobicContact CG1-CE2 3.66Å; V249-F251 HydrophobicContact CG1-CZ 4.02Å; V249-F251 HydrophobicContact CG2-CD2 4.43Å; V249-F251 HydrophobicContact CG2-CE1 4.22Å; V249-F251 HydrophobicContact CG2-CE2 3.95Å; V249-F251 HydrophobicContact CG2-CZ 3.85Å; F251-P253 WeakPolarHBondContact O-CD 3.45Å
252	I	94.9	Very high	93.8	Very high	61 Å²	61	46.8 Å²	46.8	31%	0.313	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	95.9	-175.4	-54.4	173.8	0	0	0	108.7	L224 I225 T226 Y227 A254 D268 A269	L224-I252 HydrophobicContact CB-CD1 4.15Å; I225-I252 PolarHBondContact O-N 3.14Å; T226-I252 VanDerWaalsContact CA-O 3.26Å; T226-I252 WeakPolarHBondContact CA-O 3.38Å; T226-I252 PolarHBondContact OG1-O 2.87Å; Y227-I252 PolarHBondContact N-O 3.23Å; I252-A254 PolarHBondContact O-N 3.4Å; I252-D268 VanDerWaalsContact CD1-O 3.26Å; I252-D268 WeakPolarHBondContact CD1-O 3.46Å; I252-A269 HydrophobicContact CD1-CB 4.39Å
253	P	95.5	Very high	94	Very high	57 Å²	57	40.2 Å²	40.2	37%	0.37	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	130.7	175.5	26.4	-31.3	0	0	0	110.2	Y227 R229 F251	Y227-P253 HydrophobicContact CE1-CB 3.94Å; Y227-P253 HydrophobicContact CE1-CG 4.47Å; Y227-P253 HydrophobicContact CE2-CB 4.25Å; R229-P253 HydrophobicContact CB-CB 3.98Å; F251-P253 WeakPolarHBondContact O-CD 3.45Å
254	A	96.9	Very high	94.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.8	177.8	0	0	0	0	0	111.9	Y168 Y227 S228 R229 I252 F259 K260	Y168-A254 HydrophobicContact CD1-CB 4.3Å; Y168-A254 HydrophobicContact CE1-CB 3.76Å; Y227-A254 PolarHBondContact O-N 3.48Å; S228-A254 WeakPolarHBondContact CA-O 3.41Å; R229-A254 PolarHBondContact N-O 3.47Å; R229-A254 VanDerWaalsContact N-O 3.09Å; I252-A254 PolarHBondContact O-N 3.4Å; A254-F259 HydrophobicContact CB-CD1 3.86Å; A254-F259 HydrophobicContact CB-CE1 3.93Å; A254-K260 HydrophobicContact CB-CD 4.33Å; A254-K260 HydrophobicContact CB-CG 3.85Å
255	G	96.1	Very high	94.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	19%	0.19	C	C	.	.			trans	-83.5	171	166	0	0	0	0	0	111.4	Y168	Y168-G255 VanDerWaalsContact CD1-O 3.31Å; Y168-G255 WeakPolarHBondContact CD1-O 3.46Å
256	G	96.9	Very high	95.3	Very high	6 Å²	6	31.3 Å²	31.3	6%	0.062	17%	0.169	C	C	.	.			trans	64.4	120.2	174.1	0	0	0	0	0	115.8	D156 G258 F259 K260	D156-G256 VanDerWaalsContact CG-CA 3.5Å; D156-G256 VanDerWaalsContact OD1-CA 3.32Å; D156-G256 WeakPolarHBondContact OD1-CA 3.26Å; D156-G256 WeakPolarHBondContact OD2-CA 3.13Å; G256-G258 VanDerWaalsContact C-N 3.29Å; G256-G258 PolarHBondContact O-N 2.87Å; G256-F259 PolarHBondContact O-N 3.2Å; G256-K260 PolarHBondContact O-N 3.27Å; G256-K260 PolarHBondContact O-NZ 3.1Å
257	A	97.7	Very high	95.6	Very high	8 Å²	8	27 Å²	27	7%	0.066	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-37.5	173.5	0	0	0	0	0	112.2	D156 M172 K260 A261 D282 P286	D156-A257 PolarHBondContact OD1-N 3.07Å; D156-A257 PolarHBondContact OD2-N 3.35Å; M172-A257 HydrophobicContact CE-CB 4.36Å; A257-K260 PolarHBondContact O-N 3.28Å; A257-A261 PolarHBondContact O-N 2.85Å; A257-D282 HydrophobicContact CB-CB 4.14Å; A257-D282 WeakPolarHBondContact CB-O 3.08Å; A257-P286 HydrophobicContact CB-CG 4.36Å
258	G	98.3	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-48.8	175.5	0	0	0	0	0	112.1	D156 M172 G256 K260 A261 I262	D156-G258 PolarHBondContact OD2-N 3.06Å; M172-G258 VanDerWaalsContact SD-CA 3.57Å; G256-G258 VanDerWaalsContact C-N 3.29Å; G256-G258 PolarHBondContact O-N 2.87Å; G258-K260 VanDerWaalsContact C-N 3.34Å; G258-K260 PolarHBondContact O-N 3.14Å; G258-A261 PolarHBondContact O-N 3.43Å; G258-I262 WeakPolarHBondContact O-CG1 3.41Å; G258-I262 PolarHBondContact O-N 3.44Å
259	F	98.5	Very high	96.2	Very high	43 Å²	43	24.9 Å²	24.9	19%	0.189	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-45.7	176.6	179.3	-83.9	0	0	0	111.9	E167 Y168 A254 G256 A261 I262 S263	E167-F259 HydrophobicContact CG-CE2 4.49Å; E167-F259 WeakPolarHBondContact O-CD2 3.25Å; Y168-F259 HydrophobicContact CD1-CB 4.05Å; Y168-F259 AromaticContact CD1-CD1 3.63Å; Y168-F259 HydrophobicContact CD1-CD1 3.63Å; Y168-F259 AromaticContact CD1-CD2 3.78Å; Y168-F259 HydrophobicContact CD1-CD2 3.78Å; Y168-F259 AromaticContact CD1-CE1 3.98Å; Y168-F259 HydrophobicContact CD1-CE1 3.98Å; Y168-F259 HydrophobicContact CD1-CE2 4.09Å; Y168-F259 AromaticContact CD1-CG 3.54Å; Y168-F259 HydrophobicContact CD1-CG 3.54Å; Y168-F259 HydrophobicContact CD1-CZ 4.19Å; Y168-F259 AromaticContact CE1-CD1 3.72Å; Y168-F259 HydrophobicContact CE1-CD1 3.72Å; Y168-F259 HydrophobicContact CE1-CD2 4.21Å; Y168-F259 AromaticContact CE1-CE1 3.59Å; Y168-F259 HydrophobicContact CE1-CE1 3.59Å; Y168-F259 HydrophobicContact CE1-CE2 4.07Å; Y168-F259 HydrophobicContact CE1-CG 4.05Å; Y168-F259 AromaticContact CE1-CZ 3.77Å; Y168-F259 HydrophobicContact CE1-CZ 3.77Å; A254-F259 HydrophobicContact CB-CD1 3.86Å; A254-F259 HydrophobicContact CB-CE1 3.93Å; G256-F259 PolarHBondContact O-N 3.2Å; F259-A261 VanDerWaalsContact C-N 3.3Å; F259-A261 PolarHBondContact O-N 3.46Å; F259-I262 PolarHBondContact O-N 3.02Å; F259-S263 WeakPolarHBondContact O-CB 3.36Å; F259-S263 PolarHBondContact O-N 3.05Å
260	K	98.3	Very high	96.3	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-62.9	-35.3	180	-73.2	-175.1	-65.1	-67.1	0	112.3	T226 A254 G256 A257 G258 S263 L264 Y272	T226-K260 HydrophobicContact CG2-CB 4.14Å; T226-K260 HydrophobicContact CG2-CD 4.42Å; T226-K260 HydrophobicContact CG2-CG 4.15Å; A254-K260 HydrophobicContact CB-CD 4.33Å; A254-K260 HydrophobicContact CB-CG 3.85Å; G256-K260 PolarHBondContact O-N 3.27Å; G256-K260 PolarHBondContact O-NZ 3.1Å; A257-K260 PolarHBondContact O-N 3.28Å; G258-K260 VanDerWaalsContact C-N 3.34Å; G258-K260 PolarHBondContact O-N 3.14Å; K260-S263 PolarHBondContact O-OG 3.48Å; K260-L264 WeakPolarHBondContact O-CG 3.39Å; K260-L264 PolarHBondContact O-N 2.78Å; K260-Y272 HydrophobicContact CB-CD1 4.32Å; K260-Y272 HydrophobicContact CB-CD2 4.47Å; K260-Y272 HydrophobicContact CB-CE1 4.39Å; K260-Y272 HydrophobicContact CB-CG 4.37Å; K260-Y272 HydrophobicContact CD-CD2 3.89Å; K260-Y272 HydrophobicContact CD-CE2 3.54Å; K260-Y272 WeakPolarHBondContact CE-OH 3.4Å
261	A	98.5	Very high	96.5	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.017	12%	0.116	C	C	.	.	H	α-helix	trans	-69.2	-43.7	173.9	0	0	0	0	0	112.5	I186 A257 G258 F259 S263 L264 I265 P286	I186-A261 HydrophobicContact CD1-CB 4.32Å; A257-A261 PolarHBondContact O-N 2.85Å; G258-A261 PolarHBondContact O-N 3.43Å; F259-A261 VanDerWaalsContact C-N 3.3Å; F259-A261 PolarHBondContact O-N 3.46Å; A261-S263 VanDerWaalsContact C-N 3.31Å; A261-S263 PolarHBondContact O-N 3.11Å; A261-L264 WeakPolarHBondContact O-CB 3.45Å; A261-L264 PolarHBondContact O-N 2.8Å; A261-I265 WeakPolarHBondContact O-CG1 3.31Å; A261-I265 PolarHBondContact O-N 3.4Å; A261-P286 HydrophobicContact CB-CB 3.74Å; A261-P286 HydrophobicContact CB-CG 4.4Å
262	I	98.5	Very high	96.7	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-35	177.6	-61.8	-52.1	0	0	0	111.7	I186 Y195 G258 F259 L264 I265 K266 V289	I186-I262 HydrophobicContact CD1-CD1 3.97Å; I186-I262 HydrophobicContact CD1-CG1 4.2Å; I186-I262 HydrophobicContact CG2-CG1 4.21Å; Y195-I262 HydrophobicContact CD1-CD1 3.94Å; Y195-I262 HydrophobicContact CD2-CD1 3.67Å; Y195-I262 HydrophobicContact CD2-CG1 3.75Å; Y195-I262 HydrophobicContact CD2-CG2 4.38Å; Y195-I262 HydrophobicContact CE1-CG2 4.08Å; Y195-I262 HydrophobicContact CE2-CD1 4.33Å; Y195-I262 HydrophobicContact CE2-CG1 4.06Å; Y195-I262 HydrophobicContact CE2-CG2 3.95Å; Y195-I262 HydrophobicContact CG-CD1 3.44Å; Y195-I262 VanDerWaalsContact CG-CD1 3.44Å; Y195-I262 HydrophobicContact CG-CG1 4.06Å; G258-I262 WeakPolarHBondContact O-CG1 3.41Å; G258-I262 PolarHBondContact O-N 3.44Å; F259-I262 PolarHBondContact O-N 3.02Å; I262-L264 VanDerWaalsContact C-N 3.3Å; I262-L264 PolarHBondContact O-N 2.8Å; I262-I265 HydrophobicContact CD1-CD1 4.25Å; I262-I265 PolarHBondContact O-N 2.76Å; I262-K266 HydrophobicContact CG2-CD 3.76Å; I262-K266 HydrophobicContact CG2-CG 4.16Å; I262-K266 WeakPolarHBondContact O-CG 3.26Å; I262-K266 PolarHBondContact O-N 3.17Å; I262-V289 HydrophobicContact CD1-CG1 4.12Å
263	S	97.7	Very high	96.7	Very high	7 Å²	7	16.8 Å²	16.8	5%	0.049	9%	0.094	C	C	.	.	H	α-helix	trans	-62.9	-35.9	176.9	78.9	0	0	0	0	112.3	F259 K260 A261 G267 D268 A269	F259-S263 WeakPolarHBondContact O-CB 3.36Å; F259-S263 PolarHBondContact O-N 3.05Å; K260-S263 PolarHBondContact O-OG 3.48Å; A261-S263 VanDerWaalsContact C-N 3.31Å; A261-S263 PolarHBondContact O-N 3.11Å; S263-G267 PolarHBondContact O-N 3.02Å; S263-G267 VanDerWaalsContact O-N 3.1Å; S263-D268 PolarHBondContact O-N 3.15Å; S263-A269 PolarHBondContact O-N 3.28Å
264	L	97.6	Very high	96.7	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-63.6	-42.8	170.8	-59	174.1	0	0	0	111.6	T226 K260 A261 I262 K266 G267 A269 L290 A323 A325	T226-L264 HydrophobicContact CG2-CD2 4.45Å; K260-L264 WeakPolarHBondContact O-CG 3.39Å; K260-L264 PolarHBondContact O-N 2.78Å; A261-L264 WeakPolarHBondContact O-CB 3.45Å; A261-L264 PolarHBondContact O-N 2.8Å; I262-L264 VanDerWaalsContact C-N 3.3Å; I262-L264 PolarHBondContact O-N 2.8Å; L264-K266 VanDerWaalsContact C-N 3.32Å; L264-K266 PolarHBondContact O-N 3.17Å; L264-G267 PolarHBondContact O-N 3Å; L264-G267 VanDerWaalsContact O-N 3.16Å; L264-A269 WeakPolarHBondContact CA-O 2.85Å; L264-A269 HydrophobicContact CD2-CB 4.01Å; L264-L290 HydrophobicContact CB-CD1 4.22Å; L264-L290 HydrophobicContact CD1-CD1 4.27Å; L264-L290 HydrophobicContact CD1-CD2 4.12Å; L264-A323 HydrophobicContact CD1-CB 3.87Å; L264-A325 HydrophobicContact CB-CB 3.78Å; L264-A325 WeakPolarHBondContact O-CB 3.46Å
265	I	97.3	Very high	96.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69.4	-32.8	-177.4	-61.5	173.6	0	0	0	111.7	L207 A210 I211 R214 A261 I262 G267 V289 L290 V293 A325	L207-I265 HydrophobicContact CD1-CD1 3.82Å; L207-I265 HydrophobicContact CD1-CG2 3.83Å; A210-I265 HydrophobicContact CB-CG2 4.08Å; I211-I265 HydrophobicContact CG1-CG2 3.87Å; R214-I265 WeakPolarHBondContact CG-O 3.47Å; R214-I265 PolarHBondContact NE-O 2.95Å; A261-I265 WeakPolarHBondContact O-CG1 3.31Å; A261-I265 PolarHBondContact O-N 3.4Å; I262-I265 HydrophobicContact CD1-CD1 4.25Å; I262-I265 PolarHBondContact O-N 2.76Å; I265-G267 VanDerWaalsContact C-N 3.32Å; I265-V289 HydrophobicContact CD1-CG1 3.71Å; I265-L290 HydrophobicContact CD1-CD1 4.13Å; I265-L290 HydrophobicContact CG1-CD1 3.69Å; I265-V293 HydrophobicContact CD1-CG2 4.07Å; I265-V293 HydrophobicContact CG1-CG2 3.94Å; I265-V293 HydrophobicContact CG2-CG2 4.31Å; I265-A325 HydrophobicContact CG1-CB 4.18Å
266	K	95.8	Very high	96.3	Very high	67 Å²	67	17.6 Å²	17.6	29%	0.291	10%	0.099	S	C	.	.	H	α-helix	trans	-77.7	-15.5	173.3	-68.2	173.9	70.4	-134.6	0	113.4	A210 R214 I262 L264 D268	A210-K266 HydrophobicContact CB-CG 3.68Å; R214-K266 WeakPolarHBondContact CA-O 3.18Å; R214-K266 WeakPolarHBondContact CG-O 3.29Å; I262-K266 HydrophobicContact CG2-CD 3.76Å; I262-K266 HydrophobicContact CG2-CG 4.16Å; I262-K266 WeakPolarHBondContact O-CG 3.26Å; I262-K266 PolarHBondContact O-N 3.17Å; L264-K266 VanDerWaalsContact C-N 3.32Å; L264-K266 PolarHBondContact O-N 3.17Å; K266-D268 VanDerWaalsContact C-N 3.31Å; K266-D268 IonicContact NZ-OD2 3.57Å; K266-D268 PolarHBondContact NZ-OD2 3.47Å
267	G	94	Very high	96.1	Very high	16 Å²	16	19.4 Å²	19.4	17%	0.165	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	19.2	-173.9	0	0	0	0	0	113.6	S263 L264 I265 A269	S263-G267 PolarHBondContact O-N 3.02Å; S263-G267 VanDerWaalsContact O-N 3.1Å; L264-G267 PolarHBondContact O-N 3Å; L264-G267 VanDerWaalsContact O-N 3.16Å; I265-G267 VanDerWaalsContact C-N 3.32Å; G267-A269 VanDerWaalsContact C-N 3.28Å
268	D	94.4	Very high	95.9	Very high	75 Å²	75	19.4 Å²	19.4	40%	0.401	11%	0.108	S	C	.	.	S	Bend	trans	-71.5	-29	170.7	-64.9	-32.3	0	0	0	110.5	I252 S263 K266	I252-D268 VanDerWaalsContact CD1-O 3.26Å; I252-D268 WeakPolarHBondContact CD1-O 3.46Å; S263-D268 PolarHBondContact O-N 3.15Å; K266-D268 VanDerWaalsContact C-N 3.31Å; K266-D268 IonicContact NZ-OD2 3.57Å; K266-D268 PolarHBondContact NZ-OD2 3.47Å
269	A	95.3	Very high	95.8	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	12%	0.115	C	C	.	.			trans	-133.3	155.1	168.3	0	0	0	0	0	110.8	T226 I252 S263 L264 G267	T226-A269 HydrophobicContact CG2-CB 3.92Å; I252-A269 HydrophobicContact CD1-CB 4.39Å; S263-A269 PolarHBondContact O-N 3.28Å; L264-A269 WeakPolarHBondContact CA-O 2.85Å; L264-A269 HydrophobicContact CD2-CB 4.01Å; G267-A269 VanDerWaalsContact C-N 3.28Å
270	D	94.5	Very high	95.7	Very high	42 Å²	42	20.4 Å²	20.4	23%	0.225	11%	0.111	C	C	.	.	S	Bend	trans	-92.8	-39.2	177.4	-63.1	-52.8	0	0	0	111.5	L223 L224 L329	L223-D270 HydrophobicContact CD1-CB 4.01Å; L224-D270 PolarHBondContact N-OD2 3.04Å; L224-D270 WeakPolarHBondContact O-CA 2.95Å; L224-D270 WeakPolarHBondContact O-CB 3.44Å; L224-D270 PolarHBondContact O-N 3.47Å; D270-L329 HydrophobicContact CB-CD2 3.79Å; D270-L329 VanDerWaalsContact O-CD2 3.28Å; D270-L329 WeakPolarHBondContact O-CD2 3.34Å
271	M	95.7	Very high	95.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.9	-175.2	-64.9	166.6	68.8	0	0	110.7	L223 L224 I225 T226 I273 F322 A323 T324 L329 W333 I337	L223-M271 HydrophobicContact CD1-SD 3.81Å; L223-M271 HydrophobicContact CD2-SD 3.74Å; L223-M271 HydrophobicContact CG-SD 4.09Å; L224-M271 PolarHBondContact O-N 3.37Å; L224-M271 VanDerWaalsContact O-N 3.15Å; I225-M271 CarbonylContact C-O 3.55Å; I225-M271 WeakPolarHBondContact CA-O 3.48Å; I225-M271 HydrophobicContact CG1-CB 4.32Å; T226-M271 PolarHBondContact N-O 3.34Å; M271-I273 HydrophobicContact CE-CD1 4.24Å; M271-F322 HydrophobicContact CB-CE2 4.15Å; M271-F322 HydrophobicContact CE-CD2 4.28Å; M271-F322 HydrophobicContact CE-CE2 3.28Å; M271-F322 HydrophobicContact CE-CZ 3.68Å; M271-F322 HydrophobicContact CG-CE2 4.01Å; M271-F322 HydrophobicContact SD-CE2 4.42Å; M271-A323 WeakPolarHBondContact CA-O 3.46Å; M271-T324 HydrophobicContact CB-CG2 4.48Å; M271-T324 HydrophobicContact CG-CG2 3.85Å; M271-L329 HydrophobicContact CG-CD2 4.22Å; M271-W333 HydrophobicContact CE-CB 3.77Å; M271-W333 HydrophobicContact CE-CD2 4.17Å; M271-W333 HydrophobicContact CE-CE3 4.49Å; M271-W333 HydrophobicContact CE-CG 3.86Å; M271-W333 HydrophobicContact SD-CB 4.32Å; M271-W333 HydrophobicContact SD-CD2 4.17Å; M271-W333 HydrophobicContact SD-CG 3.88Å; M271-I337 HydrophobicContact CE-CD1 3.83Å; M271-I337 HydrophobicContact CE-CG1 3.7Å
272	Y	97.4	Very high	95.6	Very high	8 Å²	8	21.7 Å²	21.7	3%	0.031	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.1	165.6	172.2	-149.4	0	0	0	108.5	T226 K260 H274 L321 F322 A323	T226-Y272 HydrophobicContact CG2-CD2 4.1Å; T226-Y272 HydrophobicContact CG2-CG 4.18Å; T226-Y272 WeakPolarHBondContact O-CA 3.28Å; T226-Y272 WeakPolarHBondContact O-CD2 3.49Å; K260-Y272 HydrophobicContact CB-CD1 4.32Å; K260-Y272 HydrophobicContact CB-CD2 4.47Å; K260-Y272 HydrophobicContact CB-CE1 4.39Å; K260-Y272 HydrophobicContact CB-CG 4.37Å; K260-Y272 HydrophobicContact CD-CD2 3.89Å; K260-Y272 HydrophobicContact CD-CE2 3.54Å; K260-Y272 WeakPolarHBondContact CE-OH 3.4Å; Y272-H274 HydrophobicContact CE2-CB 3.67Å; Y272-H274 AromaticContact CZ-ND1 3.98Å; Y272-H274 WeakPolarHBondContact OH-CB 3.34Å; Y272-H274 PolarHBondContact OH-ND1 3.27Å; Y272-H274 VanDerWaalsContact OH-ND1 3.09Å; Y272-L321 HydrophobicContact CE1-CD1 4.04Å; Y272-F322 WeakPolarHBondContact O-CA 3.32Å; Y272-A323 HydrophobicContact CD1-CB 4.21Å; Y272-A323 PolarHBondContact N-O 2.89Å; Y272-A323 PolarHBondContact O-N 3.31Å
273	I	95.8	Very high	95.6	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.7	175.6	-59.2	179.1	0	0	0	108.5	I225 T226 L240 M271 P275 L300 L321 F322 I337 F341	I225-I273 HydrophobicContact CD1-CD1 4.17Å; I225-I273 HydrophobicContact CG2-CB 4.31Å; I225-I273 HydrophobicContact CG2-CD1 3.96Å; I225-I273 HydrophobicContact CG2-CG1 4.03Å; T226-I273 PolarHBondContact O-N 3.49Å; L240-I273 HydrophobicContact CD1-CD1 4.48Å; M271-I273 HydrophobicContact CE-CD1 4.24Å; I273-P275 HydrophobicContact CG2-CG 4.5Å; I273-L300 HydrophobicContact CG2-CD2 3.95Å; I273-L321 WeakPolarHBondContact CA-O 3.49Å; I273-F322 HydrophobicContact CG1-CD2 4.21Å; I273-I337 HydrophobicContact CD1-CD1 3.83Å; I273-F341 HydrophobicContact CG2-CE2 3.78Å; I273-F341 HydrophobicContact CG2-CZ 3.71Å
274	H	94.9	Very high	95.6	Very high	10 Å²	10	21.2 Å²	21.2	5%	0.046	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	88.5	179.1	-165.9	86.2	0	0	0	110.9	H231 Y272 S276 T277 G320 L321	H231-H274 AromaticContact ND1-CE1 3.86Å; Y272-H274 HydrophobicContact CE2-CB 3.67Å; Y272-H274 AromaticContact CZ-ND1 3.98Å; Y272-H274 WeakPolarHBondContact OH-CB 3.34Å; Y272-H274 PolarHBondContact OH-ND1 3.27Å; Y272-H274 VanDerWaalsContact OH-ND1 3.09Å; H274-S276 PolarHBondContact CD2-O 3.34Å; H274-S276 VanDerWaalsContact CD2-O 3.24Å; H274-S276 PolarHBondContact CD2-OG 2.8Å; H274-S276 PolarHBondContact CE1-OG 2.9Å; H274-S276 PolarHBondContact NE2-OG 3.4Å; H274-S276 PolarHBondContact O-N 3.2Å; H274-S276 VanDerWaalsContact O-N 3.14Å; H274-T277 PolarHBondContact NE2-O 2.97Å; H274-G320 CarbonylContact O-C 3.52Å; H274-G320 WeakPolarHBondContact O-CA 3.26Å; H274-L321 HydrophobicContact CB-CB 3.83Å; H274-L321 HydrophobicContact CB-CD1 3.98Å; H274-L321 HydrophobicContact CB-CG 4.03Å; H274-L321 PolarHBondContact N-O 3.42Å; H274-L321 PolarHBondContact O-N 3.25Å
275	P	92.8	Very high	95.7	Very high	48 Å²	48	21.1 Å²	21.1	31%	0.312	11%	0.113	S	C	.	.			trans	-91	49.5	-175.8	34.6	-27.2	0	0	0	111.4	L236 I273 L300 F341	L236-P275 HydrophobicContact CD2-CB 3.96Å; L236-P275 HydrophobicContact CD2-CG 3.27Å; I273-P275 HydrophobicContact CG2-CG 4.5Å; P275-L300 HydrophobicContact CB-CD1 4.06Å; P275-F341 HydrophobicContact CB-CD1 4.28Å; P275-F341 HydrophobicContact CB-CE1 3.45Å; P275-F341 VanDerWaalsContact CB-CE1 3.45Å; P275-F341 HydrophobicContact CB-CZ 3.83Å; P275-F341 HydrophobicContact CG-CE1 4.16Å; P275-F341 HydrophobicContact CG-CZ 4.23Å
276	S	91.8	Very high	95.8	Very high	19 Å²	19	21.3 Å²	21.3	13%	0.133	12%	0.115	C	C	.	.	S	Bend	trans	-149.8	169.8	176.5	66.6	0	0	0	0	110.7	H231 H274	H231-S276 PolarHBondContact CD2-OG 3.15Å; H274-S276 PolarHBondContact CD2-O 3.34Å; H274-S276 VanDerWaalsContact CD2-O 3.24Å; H274-S276 PolarHBondContact CD2-OG 2.8Å; H274-S276 PolarHBondContact CE1-OG 2.9Å; H274-S276 PolarHBondContact NE2-OG 3.4Å; H274-S276 PolarHBondContact O-N 3.2Å; H274-S276 VanDerWaalsContact O-N 3.14Å
277	T	92.3	Very high	95.9	Very high	44 Å²	44	18.7 Å²	18.7	27%	0.27	10%	0.103	S	C	.	.			trans	-58.6	144.7	174.2	-55.6	0	0	0	0	110.8	L79 H274 I315 S317	L79-T277 HydrophobicContact CD2-CG2 4.23Å; H274-T277 PolarHBondContact NE2-O 2.97Å; T277-I315 WeakPolarHBondContact CA-O 3.35Å; T277-I315 WeakPolarHBondContact CG2-O 3.49Å; T277-S317 PolarHBondContact OG1-N 3.08Å
278	T	94.1	Very high	96.1	Very high	8 Å²	8	18.1 Å²	18.1	5%	0.049	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-179.9	175.6	-177.3	0	0	0	0	109	D282 V283 I315 L321	T278-D282 PolarHBondContact OG1-OD2 3.03Å; T278-V283 HydrophobicContact CG2-CG2 3.95Å; T278-I315 HydrophobicContact CG2-CB 3.76Å; T278-I315 HydrophobicContact CG2-CD1 4.04Å; T278-I315 HydrophobicContact CG2-CG1 4.43Å; T278-I315 HydrophobicContact CG2-CG2 4.11Å; T278-I315 PolarHBondContact N-O 2.81Å; T278-I315 VanDerWaalsContact N-O 3.14Å; T278-I315 PolarHBondContact O-N 2.89Å; T278-L321 HydrophobicContact CG2-CD1 3.97Å; T278-L321 HydrophobicContact CG2-CD2 4.04Å; T278-L321 HydrophobicContact CG2-CG 4.04Å
279	R	95.5	Very high	96.3	Very high	37 Å²	37	14.6 Å²	14.6	14%	0.14	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	159.1	175.8	-71.1	126.6	167.4	161.3	2.5	112.6	E82 E111 W281 D282 V283 P313	E82-R279 IonicContact OE1-CZ 3.78Å; E82-R279 IonicContact OE1-NH1 2.75Å; E82-R279 PolarHBondContact OE1-NH1 2.75Å; E82-R279 IonicContact OE1-NH2 4Å; E82-R279 PolarHBondContact OE1-NH2 2.83Å; E82-R279 IonicContact OE2-CZ 3.06Å; E82-R279 VanDerWaalsContact OE2-CZ 3.26Å; E82-R279 IonicContact OE2-NH1 3.68Å; E82-R279 PolarHBondContact OE2-NH1 3.21Å; E82-R279 IonicContact OE2-NH2 3.78Å; E82-R279 PolarHBondContact OE2-NH2 3.26Å; E111-R279 IonicContact OE1-NH1 3.08Å; R279-W281 VanDerWaalsContact C-N 3.31Å; R279-W281 HydrophobicContact CB-CD2 3.78Å; R279-W281 HydrophobicContact CB-CG 4.07Å; R279-W281 HydrophobicContact CB-CZ2 3.81Å; R279-W281 VanDerWaalsContact CD-CE2 3.49Å; R279-W281 HydrophobicContact CG-CD2 4.37Å; R279-W281 HydrophobicContact CG-CH2 4.18Å; R279-W281 HydrophobicContact CG-CZ2 3.44Å; R279-W281 VanDerWaalsContact CG-CZ2 3.44Å; R279-W281 PolarHBondContact O-N 3Å; R279-D282 PolarHBondContact N-OD2 2.96Å; R279-D282 WeakPolarHBondContact O-CB 3.31Å; R279-D282 PolarHBondContact O-N 3.25Å; R279-V283 WeakPolarHBondContact O-CG2 3.32Å; R279-V283 PolarHBondContact O-N 3.45Å; R279-P313 CarbonylContact C-O 3.53Å; R279-P313 VanDerWaalsContact CA-O 3.26Å; R279-P313 WeakPolarHBondContact CA-O 3.48Å
280	R	97.3	Very high	96.5	Very high	26 Å²	26	14.5 Å²	14.5	10%	0.098	8%	0.077	C	C	.	.	H	α-helix	trans	-65	-32.5	178	-75.5	-177.5	168.7	67.6	6.4	113.4	W151 D282 V283 C284 L305 G306 F307 S312 P313 G314 I315	W151-R280 HydrophobicContact CD2-CB 4.09Å; W151-R280 HydrophobicContact CE3-CB 3.81Å; W151-R280 HydrophobicContact CH2-CB 3.83Å; W151-R280 HydrophobicContact CH2-CG 4.44Å; W151-R280 HydrophobicContact CZ2-CB 4.12Å; W151-R280 HydrophobicContact CZ3-CB 3.68Å; R280-D282 VanDerWaalsContact C-N 3.32Å; R280-V283 PolarHBondContact O-N 3.44Å; R280-C284 WeakPolarHBondContact O-CB 3.22Å; R280-C284 PolarHBondContact O-N 3.18Å; R280-L305 PolarHBondContact NH2-O 3.22Å; R280-G306 WeakPolarHBondContact CD-O 3.4Å; R280-G306 PolarHBondContact NE-O 3.27Å; R280-F307 HydrophobicContact CB-CD1 4Å; R280-F307 HydrophobicContact CB-CE1 4.13Å; R280-F307 HydrophobicContact CG-CD1 4.12Å; R280-F307 HydrophobicContact CG-CE1 4.17Å; R280-S312 VanDerWaalsContact CD-O 3.27Å; R280-S312 WeakPolarHBondContact CD-O 3.4Å; R280-S312 PolarHBondContact NH1-O 2.95Å; R280-P313 PolarHBondContact N-O 2.95Å; R280-G314 PolarHBondContact NH1-O 3.47Å; R280-I315 HydrophobicContact CG-CD1 4.02Å; R280-I315 HydrophobicContact CG-CG1 3.99Å
281	W	97.4	Very high	96.6	Very high	15 Å²	15	14.1 Å²	14.1	6%	0.057	7%	0.074	C	C	.	.	H	α-helix	trans	-67.7	-33.4	173.8	49	77	0	0	0	112.2	E111 W151 V152 D153 R279 V283 P313	E111-W281 HydrophobicContact CB-CD2 3.88Å; E111-W281 HydrophobicContact CB-CG 3.99Å; E111-W281 HydrophobicContact CB-CZ2 4Å; E111-W281 VanDerWaalsContact CD-NE1 3.3Å; E111-W281 HydrophobicContact CG-CD2 4.48Å; E111-W281 HydrophobicContact CG-CZ2 3.77Å; E111-W281 PolarHBondContact OE2-NE1 3.44Å; W151-W281 HydrophobicContact CE3-CB 4.33Å; W151-W281 HydrophobicContact CE3-CE3 4.02Å; W151-W281 AromaticContact CZ3-CE3 3.84Å; W151-W281 HydrophobicContact CZ3-CE3 3.84Å; W151-W281 HydrophobicContact CZ3-CZ3 4.35Å; V152-W281 VanDerWaalsContact O-CB 3.29Å; V152-W281 WeakPolarHBondContact O-CB 3.45Å; D153-W281 HydrophobicContact CB-CB 4.17Å; D153-W281 HydrophobicContact CB-CG 4.5Å; R279-W281 VanDerWaalsContact C-N 3.31Å; R279-W281 HydrophobicContact CB-CD2 3.78Å; R279-W281 HydrophobicContact CB-CG 4.07Å; R279-W281 HydrophobicContact CB-CZ2 3.81Å; R279-W281 VanDerWaalsContact CD-CE2 3.49Å; R279-W281 HydrophobicContact CG-CD2 4.37Å; R279-W281 HydrophobicContact CG-CH2 4.18Å; R279-W281 HydrophobicContact CG-CZ2 3.44Å; R279-W281 VanDerWaalsContact CG-CZ2 3.44Å; R279-W281 PolarHBondContact O-N 3Å; W281-V283 PolarHBondContact O-N 3.45Å; W281-P313 HydrophobicContact CE3-CB 4.32Å; W281-P313 HydrophobicContact CH2-CB 3.6Å; W281-P313 HydrophobicContact CH2-CG 4.29Å; W281-P313 HydrophobicContact CZ3-CB 3.47Å; W281-P313 VanDerWaalsContact CZ3-CB 3.47Å; W281-P313 HydrophobicContact CZ3-CG 3.97Å
282	D	97.4	Very high	96.7	Very high	21 Å²	21	14.5 Å²	14.5	11%	0.112	8%	0.077	C	C	.	.	H	α-helix	trans	-65.4	-25.8	172.8	-47.2	-25.1	0	0	0	112.4	M172 A257 T278 R279 R280 P286	M172-D282 WeakPolarHBondContact CE-O 3.31Å; A257-D282 HydrophobicContact CB-CB 4.14Å; A257-D282 WeakPolarHBondContact CB-O 3.08Å; T278-D282 PolarHBondContact OG1-OD2 3.03Å; R279-D282 PolarHBondContact N-OD2 2.96Å; R279-D282 WeakPolarHBondContact O-CB 3.31Å; R279-D282 PolarHBondContact O-N 3.25Å; R280-D282 VanDerWaalsContact C-N 3.32Å; D282-P286 VanDerWaalsContact O-CG 3.26Å; D282-P286 WeakPolarHBondContact O-CG 3.26Å
283	V	98.2	Very high	96.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-111.6	-30.5	-166.4	-176.7	0	0	0	0	113.9	T278 R279 R280 W281 A285 P286 Q287 L297 L305 F307 I315 L321	T278-V283 HydrophobicContact CG2-CG2 3.95Å; R279-V283 WeakPolarHBondContact O-CG2 3.32Å; R279-V283 PolarHBondContact O-N 3.45Å; R280-V283 PolarHBondContact O-N 3.44Å; W281-V283 PolarHBondContact O-N 3.45Å; V283-A285 PolarHBondContact O-N 2.56Å; V283-P286 WeakPolarHBondContact O-CD 3.27Å; V283-Q287 WeakPolarHBondContact O-CB 3.44Å; V283-Q287 PolarHBondContact O-N 2.85Å; V283-L297 HydrophobicContact CG1-CD1 3.98Å; V283-L297 HydrophobicContact CG1-CD2 3.42Å; V283-L297 VanDerWaalsContact CG1-CD2 3.42Å; V283-L297 HydrophobicContact CG1-CG 4.37Å; V283-L305 HydrophobicContact CB-CD1 4.49Å; V283-L305 HydrophobicContact CG1-CD1 3.41Å; V283-L305 VanDerWaalsContact CG1-CD1 3.41Å; V283-F307 HydrophobicContact CG1-CZ 4.29Å; V283-I315 HydrophobicContact CB-CD1 4.25Å; V283-I315 HydrophobicContact CG2-CD1 4Å; V283-L321 HydrophobicContact CG1-CD2 4.06Å; V283-L321 HydrophobicContact CG2-CD1 3.61Å; V283-L321 HydrophobicContact CG2-CD2 3.89Å; V283-L321 HydrophobicContact CG2-CG 4.41Å
284	C	98.7	Very high	96.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-51.3	-171.6	-168.8	0	0	0	0	112.1	W151 C174 V176 R280 Q287 A288 F307	W151-C284 HydrophobicContact CB-CB 3.93Å; W151-C284 HydrophobicContact CG-CB 4.31Å; C174-C284 HydrophobicContact CB-CB 3.42Å; C174-C284 VanDerWaalsContact CB-CB 3.42Å; C174-C284 WeakPolarHBondContact CB-SG 3.43Å; C174-C284 WeakPolarHBondContact SG-CB 3.26Å; C174-C284 PolarHBondContact SG-O 3.16Å; C174-C284 CovalentContact SG-SG 2.04Å; C174-C284 PolarHBondContact SG-SG 3.24Å; V176-C284 WeakPolarHBondContact CG2-SG 3.45Å; R280-C284 WeakPolarHBondContact O-CB 3.22Å; R280-C284 PolarHBondContact O-N 3.18Å; C284-Q287 PolarHBondContact O-N 3.14Å; C284-A288 PolarHBondContact O-N 3.14Å; C284-F307 HydrophobicContact CB-CD1 3.6Å; C284-F307 HydrophobicContact CB-CE1 3.54Å; C284-F307 HydrophobicContact CB-CG 4.37Å; C284-F307 HydrophobicContact CB-CZ 4.28Å
285	A	98.8	Very high	96.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-69.3	-43.5	-179.1	0	0	0	0	0	111.9	M172 I173 C174 I185 I186 V283 Q287 A288 V289	M172-A285 HydrophobicContact CB-CB 3.89Å; I173-A285 WeakPolarHBondContact O-CB 3.41Å; C174-A285 HydrophobicContact CB-CB 4.03Å; I185-A285 WeakPolarHBondContact O-CB 3.46Å; I186-A285 HydrophobicContact CG1-CB 4.46Å; V283-A285 PolarHBondContact O-N 2.56Å; A285-Q287 VanDerWaalsContact C-N 3.31Å; A285-Q287 PolarHBondContact O-N 2.74Å; A285-A288 PolarHBondContact O-N 3.37Å; A285-V289 WeakPolarHBondContact O-CB 3.35Å; A285-V289 WeakPolarHBondContact O-CG2 3.47Å; A285-V289 PolarHBondContact O-N 2.66Å
286	P	98.8	Very high	96.9	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-49.6	-46.6	167.3	-38.4	45.8	0	0	0	114.6	M172 I186 A257 A261 D282 V283 L290 L297	M172-P286 HydrophobicContact CE-CG 4.4Å; M172-P286 HydrophobicContact SD-CG 3.61Å; I186-P286 HydrophobicContact CD1-CG 4.33Å; A257-P286 HydrophobicContact CB-CG 4.36Å; A261-P286 HydrophobicContact CB-CB 3.74Å; A261-P286 HydrophobicContact CB-CG 4.4Å; D282-P286 VanDerWaalsContact O-CG 3.26Å; D282-P286 WeakPolarHBondContact O-CG 3.26Å; V283-P286 WeakPolarHBondContact O-CD 3.27Å; P286-L290 WeakPolarHBondContact O-CB 3.44Å; P286-L290 PolarHBondContact O-N 2.71Å; P286-L297 HydrophobicContact CB-CD1 4.22Å
287	Q	98.6	Very high	97.3	Very high	12 Å²	12	18.8 Å²	18.8	6%	0.056	10%	0.101	C	C	.	.	H	α-helix	trans	-63.4	-50.9	177.9	177.5	166.9	-9.9	0	0	111.3	P181 V283 C284 A285 V289 L290 E291 L297 F307	P181-Q287 HydrophobicContact CG-CG 4.39Å; V283-Q287 WeakPolarHBondContact O-CB 3.44Å; V283-Q287 PolarHBondContact O-N 2.85Å; C284-Q287 PolarHBondContact O-N 3.14Å; A285-Q287 VanDerWaalsContact C-N 3.31Å; A285-Q287 PolarHBondContact O-N 2.74Å; Q287-V289 PolarHBondContact O-N 2.96Å; Q287-L290 PolarHBondContact O-N 3.4Å; Q287-E291 HydrophobicContact CG-CG 4.18Å; Q287-E291 PolarHBondContact NE2-OE1 3.33Å; Q287-E291 WeakPolarHBondContact O-CB 3.28Å; Q287-E291 WeakPolarHBondContact O-CG 3.5Å; Q287-E291 PolarHBondContact O-N 3.49Å; Q287-L297 HydrophobicContact CB-CB 4.06Å; Q287-L297 HydrophobicContact CB-CD1 4.16Å; Q287-L297 HydrophobicContact CB-CG 4.48Å; Q287-L297 HydrophobicContact CG-CB 4.04Å; Q287-F307 VanDerWaalsContact OE1-CZ 3.27Å
288	A	98.6	Very high	97.5	Very high	4 Å²	4	17.2 Å²	17.2	3%	0.033	9%	0.092	C	C	.	.	H	α-helix	trans	-58.8	-45.2	-179.6	0	0	0	0	0	112.5	P181 A183 C284 A285 S292	P181-A288 HydrophobicContact CB-CB 3.67Å; A183-A288 VanDerWaalsContact C-CB 3.5Å; C284-A288 PolarHBondContact O-N 3.14Å; A285-A288 PolarHBondContact O-N 3.37Å; A288-S292 WeakPolarHBondContact O-CB 3.39Å; A288-S292 PolarHBondContact O-N 3.31Å
289	V	98.7	Very high	97.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.5	-42.4	178.4	173.7	0	0	0	0	110.7	G184 I186 L207 I262 I265 A285 Q287 S292	G184-V289 WeakPolarHBondContact O-CG2 3.5Å; I186-V289 HydrophobicContact CD1-CB 4.08Å; I186-V289 HydrophobicContact CD1-CG1 4.27Å; I186-V289 HydrophobicContact CD1-CG2 4.08Å; I186-V289 HydrophobicContact CG1-CG2 4.18Å; L207-V289 HydrophobicContact CD1-CG1 3.84Å; L207-V289 HydrophobicContact CD2-CG1 4.05Å; I262-V289 HydrophobicContact CD1-CG1 4.12Å; I265-V289 HydrophobicContact CD1-CG1 3.71Å; A285-V289 WeakPolarHBondContact O-CB 3.35Å; A285-V289 WeakPolarHBondContact O-CG2 3.47Å; A285-V289 PolarHBondContact O-N 2.66Å; Q287-V289 PolarHBondContact O-N 2.96Å; V289-S292 PolarHBondContact O-N 2.71Å; V289-S292 PolarHBondContact O-OG 3.24Å
290	L	98.2	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.8	-41.3	179.1	-169.2	66.2	0	0	0	112.4	L264 I265 P286 Q287 V293 G295 R296 L297 A323 A325	L264-L290 HydrophobicContact CB-CD1 4.22Å; L264-L290 HydrophobicContact CD1-CD1 4.27Å; L264-L290 HydrophobicContact CD1-CD2 4.12Å; I265-L290 HydrophobicContact CD1-CD1 4.13Å; I265-L290 HydrophobicContact CG1-CD1 3.69Å; P286-L290 WeakPolarHBondContact O-CB 3.44Å; P286-L290 PolarHBondContact O-N 2.71Å; Q287-L290 PolarHBondContact O-N 3.4Å; L290-V293 WeakPolarHBondContact O-CG2 3.45Å; L290-V293 PolarHBondContact O-N 3.4Å; L290-G295 VanDerWaalsContact O-CA 3.26Å; L290-G295 WeakPolarHBondContact O-CA 3.28Å; L290-G295 PolarHBondContact O-N 2.91Å; L290-R296 VanDerWaalsContact CD2-O 3.31Å; L290-R296 WeakPolarHBondContact CD2-O 3.35Å; L290-L297 HydrophobicContact CD2-CB 4.12Å; L290-A323 HydrophobicContact CD2-CB 3.68Å; L290-A325 HydrophobicContact CD1-CB 3.48Å; L290-A325 VanDerWaalsContact CD1-CB 3.48Å
291	E	97.7	Very high	97.4	Very high	35 Å²	35	18 Å²	18	16%	0.164	10%	0.1	C	C	.	.	H	α-helix	trans	-71.2	-30	178.1	-70.8	-178.3	167	0	0	112.1	H180 Q287 V293 G294	H180-E291 IonicContact CE1-OE2 3.83Å; H180-E291 PolarHBondContact CE1-OE2 3.23Å; H180-E291 IonicContact NE2-OE2 3.57Å; Q287-E291 HydrophobicContact CG-CG 4.18Å; Q287-E291 PolarHBondContact NE2-OE1 3.33Å; Q287-E291 WeakPolarHBondContact O-CB 3.28Å; Q287-E291 WeakPolarHBondContact O-CG 3.5Å; Q287-E291 PolarHBondContact O-N 3.49Å; E291-V293 PolarHBondContact O-N 3.36Å; E291-G294 PolarHBondContact O-N 2.74Å
292	S	97.6	Very high	97.3	Very high	8 Å²	8	18.4 Å²	18.4	6%	0.056	11%	0.109	C	C	.	.	H	α-helix	trans	-58.8	-27.8	174.4	77.2	0	0	0	0	113.4	G199 L203 A288 V289	G199-S292 WeakPolarHBondContact O-CA 3.43Å; G199-S292 WeakPolarHBondContact O-CB 3.27Å; L203-S292 VanDerWaalsContact CD2-OG 3.31Å; L203-S292 WeakPolarHBondContact CD2-OG 3.36Å; A288-S292 WeakPolarHBondContact O-CB 3.39Å; A288-S292 PolarHBondContact O-N 3.31Å; V289-S292 PolarHBondContact O-N 2.71Å; V289-S292 PolarHBondContact O-OG 3.24Å
293	V	96.2	Very high	97.2	Very high	31 Å²	31	18.8 Å²	18.8	19%	0.188	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12.7	177.8	-52.2	0	0	0	0	113.1	L203 L207 I211 I265 L290 E291 G295	L203-V293 HydrophobicContact CD1-CG1 4.39Å; L203-V293 HydrophobicContact CD2-CG1 4.21Å; L207-V293 HydrophobicContact CD1-CG1 4.08Å; L207-V293 HydrophobicContact CD2-CG1 3.89Å; L207-V293 HydrophobicContact CG-CG1 3.92Å; I211-V293 HydrophobicContact CD1-CB 4.03Å; I211-V293 HydrophobicContact CD1-CG1 3.54Å; I211-V293 HydrophobicContact CG1-CB 4.4Å; I211-V293 HydrophobicContact CG1-CG1 4.07Å; I265-V293 HydrophobicContact CD1-CG2 4.07Å; I265-V293 HydrophobicContact CG1-CG2 3.94Å; I265-V293 HydrophobicContact CG2-CG2 4.31Å; L290-V293 WeakPolarHBondContact O-CG2 3.45Å; L290-V293 PolarHBondContact O-N 3.4Å; E291-V293 PolarHBondContact O-N 3.36Å; V293-G295 VanDerWaalsContact C-N 3.35Å
294	G	95.6	Very high	97	Very high	44 Å²	44	24.2 Å²	24.2	45%	0.454	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	7.5	179.9	0	0	0	0	0	114.9	E291	E291-G294 PolarHBondContact O-N 2.74Å
295	G	97	Very high	96.9	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	15%	0.151	C	C	.	.			trans	-75.5	-173.8	170.9	0	0	0	0	0	112.8	L290 V293 T324	L290-G295 VanDerWaalsContact O-CA 3.26Å; L290-G295 WeakPolarHBondContact O-CA 3.28Å; L290-G295 PolarHBondContact O-N 2.91Å; V293-G295 VanDerWaalsContact C-N 3.35Å; G295-T324 CarbonylContact C-O 3.59Å; G295-T324 VanDerWaalsContact CA-O 3.25Å; G295-T324 WeakPolarHBondContact CA-O 3.36Å
296	R	97.5	Very high	96.6	Very high	98 Å²	98	25.1 Å²	25.1	37%	0.37	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.3	-179.3	-74	-69.9	-174.8	153.8	4.2	111.2	L290 A323 T324 R327 Y330	L290-R296 VanDerWaalsContact CD2-O 3.31Å; L290-R296 WeakPolarHBondContact CD2-O 3.35Å; R296-A323 CarbonylContact O-C 3.45Å; R296-A323 WeakPolarHBondContact O-CA 3.44Å; R296-T324 PolarHBondContact N-O 3.18Å; R296-T324 PolarHBondContact O-N 3.08Å; R296-R327 VanDerWaalsContact CG-NH1 3.27Å; R296-Y330 HydrophobicContact CB-CD1 4.26Å; R296-Y330 HydrophobicContact CB-CD2 3.56Å; R296-Y330 HydrophobicContact CB-CE2 3.84Å; R296-Y330 HydrophobicContact CB-CG 3.79Å; R296-Y330 HydrophobicContact CG-CD1 4.28Å; R296-Y330 HydrophobicContact CG-CD2 4.42Å; R296-Y330 HydrophobicContact CG-CG 4.18Å
297	L	98.3	Very high	96.5	Very high	3 Å²	3	25 Å²	25	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	123	170.9	-164.2	161.6	0	0	0	108.4	V283 P286 Q287 L290 L305 L321 F322 A323	V283-L297 HydrophobicContact CG1-CD1 3.98Å; V283-L297 HydrophobicContact CG1-CD2 3.42Å; V283-L297 VanDerWaalsContact CG1-CD2 3.42Å; V283-L297 HydrophobicContact CG1-CG 4.37Å; P286-L297 HydrophobicContact CB-CD1 4.22Å; Q287-L297 HydrophobicContact CB-CB 4.06Å; Q287-L297 HydrophobicContact CB-CD1 4.16Å; Q287-L297 HydrophobicContact CB-CG 4.48Å; Q287-L297 HydrophobicContact CG-CB 4.04Å; L290-L297 HydrophobicContact CD2-CB 4.12Å; L297-L305 HydrophobicContact CD2-CD1 3.41Å; L297-L305 VanDerWaalsContact CD2-CD1 3.41Å; L297-L321 HydrophobicContact CD2-CD2 4.11Å; L297-F322 WeakPolarHBondContact CA-O 3.43Å; L297-A323 HydrophobicContact CB-CB 4Å; L297-A323 HydrophobicContact CD1-CB 4.07Å; L297-A323 HydrophobicContact CG-CB 3.69Å
298	T	97.5	Very high	96.3	Very high	12 Å²	12	26.8 Å²	26.8	7%	0.074	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	178.5	179.8	59.7	0	0	0	0	110.9	S303 L321 F322 Y330	T298-S303 WeakPolarHBondContact CB-O 3.26Å; T298-L321 CarbonylContact O-C 3.55Å; T298-L321 WeakPolarHBondContact O-CA 3.38Å; T298-F322 PolarHBondContact N-O 3.45Å; T298-F322 PolarHBondContact O-N 3.04Å; T298-Y330 WeakPolarHBondContact CB-OH 3.44Å; T298-Y330 HydrophobicContact CG2-CE2 4.32Å; T298-Y330 WeakPolarHBondContact CG2-OH 3.4Å; T298-Y330 PolarHBondContact OG1-OH 2.83Å
299	G	96.7	Very high	95.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.183	C	C	.	.			trans	-58.2	163.2	157.7	0	0	0	0	0	111.9	D301 G302 S303	G299-D301 PolarHBondContact O-N 3.42Å; G299-G302 PolarHBondContact O-N 3.02Å; G299-S303 PolarHBondContact N-O 3.44Å
300	L	95.4	Very high	95.4	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.042	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26	175.9	-68	170.6	0	0	0	112.6	I273 P275 G302 I319 L321 F322 I337 S338 F341	I273-L300 HydrophobicContact CG2-CD2 3.95Å; P275-L300 HydrophobicContact CB-CD1 4.06Å; L300-G302 VanDerWaalsContact C-N 3.34Å; L300-I319 WeakPolarHBondContact CB-O 3.31Å; L300-I319 WeakPolarHBondContact CG-O 3.4Å; L300-I319 PolarHBondContact N-O 3.42Å; L300-L321 VanDerWaalsContact CD2-O 3.24Å; L300-L321 WeakPolarHBondContact CD2-O 3.4Å; L300-F322 HydrophobicContact CD2-CB 4.22Å; L300-I337 HydrophobicContact CD2-CG2 4.13Å; L300-S338 VanDerWaalsContact O-CA 3.29Å; L300-S338 WeakPolarHBondContact O-CA 3.43Å; L300-S338 PolarHBondContact O-N 3.23Å; L300-F341 HydrophobicContact CB-CB 4.46Å; L300-F341 HydrophobicContact CB-CD2 4.19Å; L300-F341 HydrophobicContact CB-CG 4.44Å; L300-F341 HydrophobicContact CD1-CB 4.34Å; L300-F341 HydrophobicContact CD1-CD1 3.96Å; L300-F341 HydrophobicContact CD1-CD2 3.9Å; L300-F341 HydrophobicContact CD1-CE1 4.22Å; L300-F341 HydrophobicContact CD1-CE2 4.19Å; L300-F341 HydrophobicContact CD1-CG 3.79Å; L300-F341 HydrophobicContact CD1-CZ 4.35Å; L300-F341 HydrophobicContact CD2-CD2 3.77Å; L300-F341 HydrophobicContact CD2-CE2 3.67Å; L300-F341 HydrophobicContact CD2-CZ 4.31Å; L300-F341 HydrophobicContact CG-CD2 4.18Å; L300-F341 HydrophobicContact CG-CE2 4.47Å; L300-F341 HydrophobicContact CG-CG 4.48Å
301	D	93.4	Very high	95	Very high	78 Å²	78	39 Å²	39	42%	0.417	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.9	175.5	71.4	-21.1	0	0	0	114	G299 S303	G299-D301 PolarHBondContact O-N 3.42Å; D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 WeakPolarHBondContact OD1-CB 3.36Å; D301-S303 PolarHBondContact OD1-N 3.28Å; D301-S303 PolarHBondContact OD1-OG 3.37Å
302	G	94.6	Very high	94.8	Very high	25 Å²	25	41.1 Å²	41.1	26%	0.258	25%	0.247	S	C	.	.	S	Bend	trans	82.9	3.3	-175.1	0	0	0	0	0	114.4	G299 L300	G299-G302 PolarHBondContact O-N 3.02Å; L300-G302 VanDerWaalsContact C-N 3.34Å
303	S	94.6	Very high	94.7	Very high	29 Å²	29	42.6 Å²	42.6	20%	0.203	26%	0.256	C	S	.	.			trans	-65.6	144.5	178.1	60.4	0	0	0	0	112.1	T298 G299 D301	T298-S303 WeakPolarHBondContact CB-O 3.26Å; G299-S303 PolarHBondContact N-O 3.44Å; D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 WeakPolarHBondContact OD1-CB 3.36Å; D301-S303 PolarHBondContact OD1-N 3.28Å; D301-S303 PolarHBondContact OD1-OG 3.37Å
304	P	95.2	Very high	94.6	Very high	114 Å²	114	42.4 Å²	42.4	74%	0.74	26%	0.261	S	S	*	.			trans	-68.5	141.2	170.4	29.9	-33.8	0	0	0	110.1
305	L	95.6	Very high	94.6	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.052	24%	0.239	C	C	.	.			trans	-79.3	-33.6	-176.6	-62.4	177.2	0	0	0	113.5	R280 V283 L297 F307 I315 I319 L321	R280-L305 PolarHBondContact NH2-O 3.22Å; V283-L305 HydrophobicContact CB-CD1 4.49Å; V283-L305 HydrophobicContact CG1-CD1 3.41Å; V283-L305 VanDerWaalsContact CG1-CD1 3.41Å; L297-L305 HydrophobicContact CD2-CD1 3.41Å; L297-L305 VanDerWaalsContact CD2-CD1 3.41Å; L305-F307 HydrophobicContact CB-CE2 4.09Å; L305-F307 HydrophobicContact CB-CZ 3.96Å; L305-F307 HydrophobicContact CD1-CZ 4.24Å; L305-I315 HydrophobicContact CD1-CD1 4.23Å; L305-I315 HydrophobicContact CD2-CD1 4.33Å; L305-I315 HydrophobicContact CD2-CG2 4.29Å; L305-I319 HydrophobicContact CD2-CG2 3.77Å; L305-L321 HydrophobicContact CD1-CD2 3.74Å; L305-L321 HydrophobicContact CD2-CD2 4.15Å
306	G	93.9	Very high	94.4	Very high	11 Å²	11	42.9 Å²	42.9	11%	0.113	26%	0.256	C	S	.	.			trans	65.2	134.1	-178.9	0	0	0	0	0	114.2	D179 R280	D179-G306 WeakPolarHBondContact OD1-CA 3.34Å; D179-G306 WeakPolarHBondContact OD2-CA 3.14Å; R280-G306 WeakPolarHBondContact CD-O 3.4Å; R280-G306 PolarHBondContact NE-O 3.27Å
307	F	96.8	Very high	94	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	26%	0.255	C	S	.	.			trans	-128.3	23.7	-176.7	-56.6	-88.1	0	0	0	114.3	W151 V176 D179 P181 R280 V283 C284 Q287 L305	W151-F307 PolarHBondContact NE1-O 3.33Å; V176-F307 HydrophobicContact CB-CB 4.39Å; V176-F307 HydrophobicContact CG1-CB 3.86Å; V176-F307 HydrophobicContact CG2-CB 3.67Å; V176-F307 HydrophobicContact CG2-CG 4.41Å; D179-F307 PolarHBondContact O-N 2.85Å; D179-F307 PolarHBondContact OD1-N 3.14Å; P181-F307 HydrophobicContact CG-CD2 3.42Å; P181-F307 VanDerWaalsContact CG-CD2 3.42Å; P181-F307 HydrophobicContact CG-CE2 3.54Å; P181-F307 HydrophobicContact CG-CG 4.16Å; P181-F307 HydrophobicContact CG-CZ 4.36Å; R280-F307 HydrophobicContact CB-CD1 4Å; R280-F307 HydrophobicContact CB-CE1 4.13Å; R280-F307 HydrophobicContact CG-CD1 4.12Å; R280-F307 HydrophobicContact CG-CE1 4.17Å; V283-F307 HydrophobicContact CG1-CZ 4.29Å; C284-F307 HydrophobicContact CB-CD1 3.6Å; C284-F307 HydrophobicContact CB-CE1 3.54Å; C284-F307 HydrophobicContact CB-CG 4.37Å; C284-F307 HydrophobicContact CB-CZ 4.28Å; Q287-F307 VanDerWaalsContact OE1-CZ 3.27Å; L305-F307 HydrophobicContact CB-CE2 4.09Å; L305-F307 HydrophobicContact CB-CZ 3.96Å; L305-F307 HydrophobicContact CD1-CZ 4.24Å
308	T	92.6	Very high	93.7	Very high	49 Å²	49	47.7 Å²	47.7	30%	0.301	29%	0.288	S	S	.	.			trans	-50.6	161.3	175	74	0	0	0	0	113.9	D179 K310 S311	D179-T308 HydrophobicContact CB-CG2 3.63Å; D179-T308 VanDerWaalsContact CG-CG2 3.47Å; D179-T308 WeakPolarHBondContact OD1-CG2 3.48Å; D179-T308 PolarHBondContact OD1-N 3Å; T308-K310 PolarHBondContact O-N 2.85Å; T308-K310 VanDerWaalsContact O-N 3.13Å; T308-K310 PolarHBondContact OG1-N 3.37Å; T308-S311 PolarHBondContact N-OG 2.8Å; T308-S311 VanDerWaalsContact N-OG 3.16Å; T308-S311 WeakPolarHBondContact O-CB 3.41Å; T308-S311 PolarHBondContact O-N 3.26Å; T308-S311 PolarHBondContact O-OG 2.86Å; T308-S311 PolarHBondContact OG1-N 2.83Å; T308-S311 VanDerWaalsContact OG1-N 3.12Å; T308-S311 PolarHBondContact OG1-OG 3.09Å
309	S	88	Confident	93.5	Very high	54 Å²	54	49.4 Å²	49.4	38%	0.378	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28	172	56.5	0	0	0	0	113.7	R109	R109-S309 PolarHBondContact NH1-O 3.12Å
310	K	90.6	Very high	93.3	Very high	190 Å²	190	49.4 Å²	49.4	83%	0.826	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-8	-178.9	-64.3	-177.9	-179	177.2	0	113.4	T308 S312	T308-K310 PolarHBondContact O-N 2.85Å; T308-K310 VanDerWaalsContact O-N 3.13Å; T308-K310 PolarHBondContact OG1-N 3.37Å; K310-S312 PolarHBondContact O-N 3.37Å
311	S	91.2	Very high	93.4	Very high	18 Å²	18	49.1 Å²	49.1	13%	0.126	29%	0.294	C	S	.	.			trans	-62.3	133.7	-178.4	-62.7	0	0	0	0	110.4	T308	T308-S311 PolarHBondContact N-OG 2.8Å; T308-S311 VanDerWaalsContact N-OG 3.16Å; T308-S311 WeakPolarHBondContact O-CB 3.41Å; T308-S311 PolarHBondContact O-N 3.26Å; T308-S311 PolarHBondContact O-OG 2.86Å; T308-S311 PolarHBondContact OG1-N 2.83Å; T308-S311 VanDerWaalsContact OG1-N 3.12Å; T308-S311 PolarHBondContact OG1-OG 3.09Å
312	S	93.5	Very high	93.6	Very high	78 Å²	78	45.4 Å²	45.4	55%	0.545	27%	0.274	S	S	.	.			trans	-57.6	144.5	171.9	179.3	0	0	0	0	109.6	R280 K310 G314	R280-S312 VanDerWaalsContact CD-O 3.27Å; R280-S312 WeakPolarHBondContact CD-O 3.4Å; R280-S312 PolarHBondContact NH1-O 2.95Å; K310-S312 PolarHBondContact O-N 3.37Å; S312-G314 VanDerWaalsContact C-N 3.27Å; S312-G314 PolarHBondContact O-N 3.45Å
313	P	94	Very high	93.8	Very high	39 Å²	39	44.2 Å²	44.2	25%	0.253	26%	0.262	S	S	.	.	S	Bend	trans	-55.4	-40.9	173.4	-31.5	39.2	0	0	0	114.4	R279 R280 W281	R279-P313 CarbonylContact C-O 3.53Å; R279-P313 VanDerWaalsContact CA-O 3.26Å; R279-P313 WeakPolarHBondContact CA-O 3.48Å; R280-P313 PolarHBondContact N-O 2.95Å; W281-P313 HydrophobicContact CE3-CB 4.32Å; W281-P313 HydrophobicContact CH2-CB 3.6Å; W281-P313 HydrophobicContact CH2-CG 4.29Å; W281-P313 HydrophobicContact CZ3-CB 3.47Å; W281-P313 VanDerWaalsContact CZ3-CB 3.47Å; W281-P313 HydrophobicContact CZ3-CG 3.97Å
314	G	94.7	Very high	93.9	Very high	27 Å²	27	42.9 Å²	42.9	28%	0.278	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.4	-174.4	0	0	0	0	0	113.3	R280 S312	R280-G314 PolarHBondContact NH1-O 3.47Å; S312-G314 VanDerWaalsContact C-N 3.27Å; S312-G314 PolarHBondContact O-N 3.45Å
315	I	94.9	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.6	163.6	-64.3	168.2	0	0	0	106.1	T277 T278 R280 V283 L305 I319 L321	T277-I315 WeakPolarHBondContact CA-O 3.35Å; T277-I315 WeakPolarHBondContact CG2-O 3.49Å; T278-I315 HydrophobicContact CG2-CB 3.76Å; T278-I315 HydrophobicContact CG2-CD1 4.04Å; T278-I315 HydrophobicContact CG2-CG1 4.43Å; T278-I315 HydrophobicContact CG2-CG2 4.11Å; T278-I315 PolarHBondContact N-O 2.81Å; T278-I315 VanDerWaalsContact N-O 3.14Å; T278-I315 PolarHBondContact O-N 2.89Å; R280-I315 HydrophobicContact CG-CD1 4.02Å; R280-I315 HydrophobicContact CG-CG1 3.99Å; V283-I315 HydrophobicContact CB-CD1 4.25Å; V283-I315 HydrophobicContact CG2-CD1 4Å; L305-I315 HydrophobicContact CD1-CD1 4.23Å; L305-I315 HydrophobicContact CD2-CD1 4.33Å; L305-I315 HydrophobicContact CD2-CG2 4.29Å; I315-I319 HydrophobicContact CG2-CB 4Å; I315-I319 HydrophobicContact CG2-CG2 4.11Å; I315-L321 HydrophobicContact CD1-CD2 4.4Å
316	P	93.3	Very high	93.7	Very high	57 Å²	57	40.7 Å²	40.7	37%	0.37	24%	0.236	S	C	.	.			trans	-62.4	154	-178.3	-22.7	33.8	0	0	0	113.6	E318 I319 G320	P316-E318 WeakPolarHBondContact CB-OE2 3.2Å; P316-E318 PolarHBondContact O-N 3.39Å; P316-I319 PolarHBondContact O-N 2.68Å; P316-G320 PolarHBondContact O-N 3.37Å
317	S	90.1	Very high	93.7	Very high	50 Å²	50	44.5 Å²	44.5	35%	0.35	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.9	178.7	39.5	0	0	0	0	113.8	T277 I319 G320	T277-S317 PolarHBondContact OG1-N 3.08Å; S317-I319 PolarHBondContact O-N 2.93Å; S317-G320 PolarHBondContact O-N 3.09Å
318	E	90.4	Very high	93.5	Very high	152 Å²	152	48.7 Å²	48.7	71%	0.71	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-24.3	178.2	-55.8	71.6	-148.9	0	0	112	P316	P316-E318 WeakPolarHBondContact CB-OE2 3.2Å; P316-E318 PolarHBondContact O-N 3.39Å
319	I	93.6	Very high	93.5	Very high	48 Å²	48	47.2 Å²	47.2	25%	0.246	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-50.7	174	-55.6	-175.3	0	0	0	109.3	L300 L305 I315 P316 S317	L300-I319 WeakPolarHBondContact CB-O 3.31Å; L300-I319 WeakPolarHBondContact CG-O 3.4Å; L300-I319 PolarHBondContact N-O 3.42Å; L305-I319 HydrophobicContact CD2-CG2 3.77Å; I315-I319 HydrophobicContact CG2-CB 4Å; I315-I319 HydrophobicContact CG2-CG2 4.11Å; P316-I319 PolarHBondContact O-N 2.68Å; S317-I319 PolarHBondContact O-N 2.93Å
320	G	93.5	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.			trans	54.8	-163.8	-173.3	0	0	0	0	0	112.9	H274 P316 S317	H274-G320 CarbonylContact O-C 3.52Å; H274-G320 WeakPolarHBondContact O-CA 3.26Å; P316-G320 PolarHBondContact O-N 3.37Å; S317-G320 PolarHBondContact O-N 3.09Å
321	L	97	Very high	94	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.6	175	-45.7	170.9	0	0	0	112	Y272 I273 H274 T278 V283 L297 T298 L300 L305 I315	Y272-L321 HydrophobicContact CE1-CD1 4.04Å; I273-L321 WeakPolarHBondContact CA-O 3.49Å; H274-L321 HydrophobicContact CB-CB 3.83Å; H274-L321 HydrophobicContact CB-CD1 3.98Å; H274-L321 HydrophobicContact CB-CG 4.03Å; H274-L321 PolarHBondContact N-O 3.42Å; H274-L321 PolarHBondContact O-N 3.25Å; T278-L321 HydrophobicContact CG2-CD1 3.97Å; T278-L321 HydrophobicContact CG2-CD2 4.04Å; T278-L321 HydrophobicContact CG2-CG 4.04Å; V283-L321 HydrophobicContact CG1-CD2 4.06Å; V283-L321 HydrophobicContact CG2-CD1 3.61Å; V283-L321 HydrophobicContact CG2-CD2 3.89Å; V283-L321 HydrophobicContact CG2-CG 4.41Å; L297-L321 HydrophobicContact CD2-CD2 4.11Å; T298-L321 CarbonylContact O-C 3.55Å; T298-L321 WeakPolarHBondContact O-CA 3.38Å; L300-L321 VanDerWaalsContact CD2-O 3.24Å; L300-L321 WeakPolarHBondContact CD2-O 3.4Å; L305-L321 HydrophobicContact CD1-CD2 3.74Å; L305-L321 HydrophobicContact CD2-CD2 4.15Å; I315-L321 HydrophobicContact CD1-CD2 4.4Å
322	F	97.5	Very high	94.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.5	165	176.9	-131.5	0	0	0	109.7	M271 Y272 I273 L297 T298 L300 T324 Y330 W333 N334 I337	M271-F322 HydrophobicContact CB-CE2 4.15Å; M271-F322 HydrophobicContact CE-CD2 4.28Å; M271-F322 HydrophobicContact CE-CE2 3.28Å; M271-F322 HydrophobicContact CE-CZ 3.68Å; M271-F322 HydrophobicContact CG-CE2 4.01Å; M271-F322 HydrophobicContact SD-CE2 4.42Å; Y272-F322 WeakPolarHBondContact O-CA 3.32Å; I273-F322 HydrophobicContact CG1-CD2 4.21Å; L297-F322 WeakPolarHBondContact CA-O 3.43Å; T298-F322 PolarHBondContact N-O 3.45Å; T298-F322 PolarHBondContact O-N 3.04Å; L300-F322 HydrophobicContact CD2-CB 4.22Å; F322-T324 HydrophobicContact CE1-CG2 4.39Å; F322-T324 HydrophobicContact CE2-CG2 3.74Å; F322-T324 HydrophobicContact CZ-CG2 3.53Å; F322-Y330 AromaticContact CD1-CD2 3.94Å; F322-Y330 HydrophobicContact CD1-CD2 3.94Å; F322-Y330 AromaticContact CD1-CE2 3.57Å; F322-Y330 HydrophobicContact CD1-CE2 3.57Å; F322-Y330 AromaticContact CE1-CD2 3.58Å; F322-Y330 HydrophobicContact CE1-CD2 3.58Å; F322-Y330 AromaticContact CE1-CE2 3.69Å; F322-Y330 HydrophobicContact CE1-CE2 3.69Å; F322-Y330 HydrophobicContact CE1-CG 4.36Å; F322-Y330 HydrophobicContact CZ-CD2 4.32Å; F322-W333 HydrophobicContact CZ-CB 3.94Å; F322-N334 HydrophobicContact CD1-CB 4.45Å; F322-N334 HydrophobicContact CE1-CB 4.05Å; F322-I337 HydrophobicContact CB-CG2 4.49Å; F322-I337 HydrophobicContact CD2-CG2 4.43Å; F322-I337 HydrophobicContact CE2-CG1 4.37Å; F322-I337 HydrophobicContact CG-CG2 4.26Å; F322-I337 HydrophobicContact CZ-CG1 4.44Å
323	A	98.3	Very high	94.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.5	-179.8	0	0	0	0	0	112.9	L264 M271 Y272 L290 R296 L297	L264-A323 HydrophobicContact CD1-CB 3.87Å; M271-A323 WeakPolarHBondContact CA-O 3.46Å; Y272-A323 HydrophobicContact CD1-CB 4.21Å; Y272-A323 PolarHBondContact N-O 2.89Å; Y272-A323 PolarHBondContact O-N 3.31Å; L290-A323 HydrophobicContact CD2-CB 3.68Å; R296-A323 CarbonylContact O-C 3.45Å; R296-A323 WeakPolarHBondContact O-CA 3.44Å; L297-A323 HydrophobicContact CB-CB 4Å; L297-A323 HydrophobicContact CD1-CB 4.07Å; L297-A323 HydrophobicContact CG-CB 3.69Å
324	T	97.5	Very high	94.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.2	169.1	72.4	0	0	0	0	109.6	M271 G295 R296 F322 D326 L329 Y330	M271-T324 HydrophobicContact CB-CG2 4.48Å; M271-T324 HydrophobicContact CG-CG2 3.85Å; G295-T324 CarbonylContact C-O 3.59Å; G295-T324 VanDerWaalsContact CA-O 3.25Å; G295-T324 WeakPolarHBondContact CA-O 3.36Å; R296-T324 PolarHBondContact N-O 3.18Å; R296-T324 PolarHBondContact O-N 3.08Å; F322-T324 HydrophobicContact CE1-CG2 4.39Å; F322-T324 HydrophobicContact CE2-CG2 3.74Å; F322-T324 HydrophobicContact CZ-CG2 3.53Å; T324-D326 PolarHBondContact OG1-O 3.41Å; T324-D326 VanDerWaalsContact OG1-O 3.06Å; T324-L329 HydrophobicContact CG2-CD2 4.23Å; T324-L329 HydrophobicContact CG2-CG 4.42Å; T324-Y330 VanDerWaalsContact OG1-CB 3.25Å; T324-Y330 WeakPolarHBondContact OG1-CB 3.5Å; T324-Y330 PolarHBondContact OG1-N 3.37Å
325	A	95.6	Very high	94	Very high	7 Å²	7	45.3 Å²	45.3	6%	0.058	24%	0.239	C	C	.	.	S	Bend	trans	-93.2	8.9	176.6	0	0	0	0	0	113.9	R214 L264 I265 L290	R214-A325 PolarHBondContact NH1-O 3.48Å; R214-A325 PolarHBondContact NH2-O 3.04Å; R214-A325 VanDerWaalsContact NH2-O 3.08Å; L264-A325 HydrophobicContact CB-CB 3.78Å; L264-A325 WeakPolarHBondContact O-CB 3.46Å; I265-A325 HydrophobicContact CG1-CB 4.18Å; L290-A325 HydrophobicContact CD1-CB 3.48Å; L290-A325 VanDerWaalsContact CD1-CB 3.48Å
326	D	91.8	Very high	93.9	Very high	71 Å²	71	50.3 Å²	50.3	38%	0.38	26%	0.26	S	S	.	.			trans	-131.4	118.2	175.4	172.8	2.4	0	0	0	108.9	T324 V328 L329 Y330	T324-D326 PolarHBondContact OG1-O 3.41Å; T324-D326 VanDerWaalsContact OG1-O 3.06Å; D326-V328 VanDerWaalsContact C-N 3.27Å; D326-V328 PolarHBondContact O-N 3.27Å; D326-V328 WeakPolarHBondContact OD1-CB 3.45Å; D326-V328 PolarHBondContact OD1-N 3.15Å; D326-L329 HydrophobicContact CB-CB 3.97Å; D326-L329 WeakPolarHBondContact O-CB 3.4Å; D326-L329 PolarHBondContact O-N 2.85Å; D326-L329 VanDerWaalsContact O-N 3.14Å; D326-Y330 PolarHBondContact O-N 2.72Å
327	R	92	Very high	93.9	Very high	91 Å²	91	47.6 Å²	47.6	34%	0.343	24%	0.243	S	C	.	.	H	α-helix	trans	-59.3	-35.5	-179.7	-177.6	58	-179.3	-169.4	-11.7	113.3	R296 L329 Y330 D331	R296-R327 VanDerWaalsContact CG-NH1 3.27Å; R327-L329 VanDerWaalsContact C-N 3.32Å; R327-Y330 WeakPolarHBondContact O-CB 3.29Å; R327-Y330 PolarHBondContact O-N 3.28Å; R327-D331 IonicContact CZ-OD1 3.89Å; R327-D331 IonicContact CZ-OD2 2.74Å; R327-D331 IonicContact NE-OD1 3.22Å; R327-D331 PolarHBondContact NE-OD1 3.47Å; R327-D331 VanDerWaalsContact NE-OD1 3.13Å; R327-D331 IonicContact NE-OD2 3.16Å; R327-D331 PolarHBondContact NE-OD2 2.93Å; R327-D331 IonicContact NH1-OD1 3.51Å; R327-D331 IonicContact NH2-OD1 3.82Å; R327-D331 WeakPolarHBondContact O-CB 3.31Å; R327-D331 PolarHBondContact O-N 2.96Å
328	V	92.9	Very high	94	Very high	90 Å²	90	45.8 Å²	45.8	55%	0.545	23%	0.23	S	C	.	.	H	α-helix	trans	-67.7	-39	178.9	178.8	0	0	0	0	110.3	D326 R332	D326-V328 VanDerWaalsContact C-N 3.27Å; D326-V328 PolarHBondContact O-N 3.27Å; D326-V328 WeakPolarHBondContact OD1-CB 3.45Å; D326-V328 PolarHBondContact OD1-N 3.15Å; V328-R332 WeakPolarHBondContact O-CB 3.43Å; V328-R332 PolarHBondContact O-N 3.15Å; V328-R332 VanDerWaalsContact O-N 3.13Å
329	L	92.3	Very high	94	Very high	17 Å²	17	43 Å²	43	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-67.3	-43.6	174.7	-173.8	71.6	0	0	0	111.3	D270 M271 T324 D326 R327 R332 W333	D270-L329 HydrophobicContact CB-CD2 3.79Å; D270-L329 VanDerWaalsContact O-CD2 3.28Å; D270-L329 WeakPolarHBondContact O-CD2 3.34Å; M271-L329 HydrophobicContact CG-CD2 4.22Å; T324-L329 HydrophobicContact CG2-CD2 4.23Å; T324-L329 HydrophobicContact CG2-CG 4.42Å; D326-L329 HydrophobicContact CB-CB 3.97Å; D326-L329 WeakPolarHBondContact O-CB 3.4Å; D326-L329 PolarHBondContact O-N 2.85Å; D326-L329 VanDerWaalsContact O-N 3.14Å; R327-L329 VanDerWaalsContact C-N 3.32Å; L329-R332 PolarHBondContact O-N 3.12Å; L329-W333 PolarHBondContact O-N 2.82Å; L329-W333 VanDerWaalsContact O-N 3.15Å
330	Y	95.9	Very high	93.9	Very high	8 Å²	8	41.5 Å²	41.5	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-53.6	-56.5	174	-175.9	-94.6	0	0	0	111.1	R296 T298 F322 T324 D326 R327 R332 W333 N334	R296-Y330 HydrophobicContact CB-CD1 4.26Å; R296-Y330 HydrophobicContact CB-CD2 3.56Å; R296-Y330 HydrophobicContact CB-CE2 3.84Å; R296-Y330 HydrophobicContact CB-CG 3.79Å; R296-Y330 HydrophobicContact CG-CD1 4.28Å; R296-Y330 HydrophobicContact CG-CD2 4.42Å; R296-Y330 HydrophobicContact CG-CG 4.18Å; T298-Y330 WeakPolarHBondContact CB-OH 3.44Å; T298-Y330 HydrophobicContact CG2-CE2 4.32Å; T298-Y330 WeakPolarHBondContact CG2-OH 3.4Å; T298-Y330 PolarHBondContact OG1-OH 2.83Å; F322-Y330 AromaticContact CD1-CD2 3.94Å; F322-Y330 HydrophobicContact CD1-CD2 3.94Å; F322-Y330 AromaticContact CD1-CE2 3.57Å; F322-Y330 HydrophobicContact CD1-CE2 3.57Å; F322-Y330 AromaticContact CE1-CD2 3.58Å; F322-Y330 HydrophobicContact CE1-CD2 3.58Å; F322-Y330 AromaticContact CE1-CE2 3.69Å; F322-Y330 HydrophobicContact CE1-CE2 3.69Å; F322-Y330 HydrophobicContact CE1-CG 4.36Å; F322-Y330 HydrophobicContact CZ-CD2 4.32Å; T324-Y330 VanDerWaalsContact OG1-CB 3.25Å; T324-Y330 WeakPolarHBondContact OG1-CB 3.5Å; T324-Y330 PolarHBondContact OG1-N 3.37Å; D326-Y330 PolarHBondContact O-N 2.72Å; R327-Y330 WeakPolarHBondContact O-CB 3.29Å; R327-Y330 PolarHBondContact O-N 3.28Å; Y330-R332 PolarHBondContact O-N 3.18Å; Y330-W333 PolarHBondContact O-N 3.23Å; Y330-N334 HydrophobicContact CD1-CB 4.21Å; Y330-N334 HydrophobicContact CE1-CB 3.86Å; Y330-N334 VanDerWaalsContact O-CB 3.28Å; Y330-N334 WeakPolarHBondContact O-CB 3.47Å; Y330-N334 PolarHBondContact O-N 2.87Å; Y330-N334 PolarHBondContact OH-OD1 3.23Å
331	D	94.9	Very high	93.8	Very high	88 Å²	88	42.9 Å²	42.9	47%	0.471	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-31.3	-174.4	-69.6	-24.1	0	0	0	111.3	R327	R327-D331 IonicContact CZ-OD1 3.89Å; R327-D331 IonicContact CZ-OD2 2.74Å; R327-D331 IonicContact NE-OD1 3.22Å; R327-D331 PolarHBondContact NE-OD1 3.47Å; R327-D331 VanDerWaalsContact NE-OD1 3.13Å; R327-D331 IonicContact NE-OD2 3.16Å; R327-D331 PolarHBondContact NE-OD2 2.93Å; R327-D331 IonicContact NH1-OD1 3.51Å; R327-D331 IonicContact NH2-OD1 3.82Å; R327-D331 WeakPolarHBondContact O-CB 3.31Å; R327-D331 PolarHBondContact O-N 2.96Å
332	R	92.9	Very high	93.2	Very high	149 Å²	149	49.1 Å²	49.1	56%	0.562	25%	0.245	S	C	*	.	H	α-helix	trans	-67.5	-36.7	174.8	-176.7	-175.4	-61.5	161.6	3.1	113.4	V328 L329 Y330	V328-R332 WeakPolarHBondContact O-CB 3.43Å; V328-R332 PolarHBondContact O-N 3.15Å; V328-R332 VanDerWaalsContact O-N 3.13Å; L329-R332 PolarHBondContact O-N 3.12Å; Y330-R332 PolarHBondContact O-N 3.18Å
333	W	93.3	Very high	92.3	Very high	13 Å²	13	53.9 Å²	53.9	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-104.4	-24.9	-171	-78.3	107.1	0	0	0	114.5	L223 V244 K247 M271 F322 L329 Y330 A335 K336 I337	L223-W333 HydrophobicContact CD2-CH2 4.25Å; L223-W333 HydrophobicContact CD2-CZ2 3.83Å; V244-W333 HydrophobicContact CB-CH2 4.22Å; V244-W333 HydrophobicContact CG1-CH2 3.78Å; V244-W333 HydrophobicContact CG1-CZ2 4.35Å; V244-W333 HydrophobicContact CG2-CH2 4.04Å; V244-W333 HydrophobicContact CG2-CZ3 3.95Å; K247-W333 HydrophobicContact CD-CZ2 4.4Å; M271-W333 HydrophobicContact CE-CB 3.77Å; M271-W333 HydrophobicContact CE-CD2 4.17Å; M271-W333 HydrophobicContact CE-CE3 4.49Å; M271-W333 HydrophobicContact CE-CG 3.86Å; M271-W333 HydrophobicContact SD-CB 4.32Å; M271-W333 HydrophobicContact SD-CD2 4.17Å; M271-W333 HydrophobicContact SD-CG 3.88Å; F322-W333 HydrophobicContact CZ-CB 3.94Å; L329-W333 PolarHBondContact O-N 2.82Å; L329-W333 VanDerWaalsContact O-N 3.15Å; Y330-W333 PolarHBondContact O-N 3.23Å; W333-A335 PolarHBondContact O-N 3.08Å; W333-K336 HydrophobicContact CE3-CB 4.1Å; W333-K336 HydrophobicContact CE3-CD 3.84Å; W333-K336 HydrophobicContact CZ3-CD 3.84Å; W333-K336 WeakPolarHBondContact O-CA 3.37Å; W333-K336 WeakPolarHBondContact O-CB 3.42Å; W333-K336 PolarHBondContact O-N 2.9Å; W333-I337 HydrophobicContact CB-CG1 4.39Å; W333-I337 WeakPolarHBondContact O-CG1 3.38Å; W333-I337 PolarHBondContact O-N 3.27Å
334	N	93.9	Very high	90.7	Very high	36 Å²	36	57 Å²	57	19%	0.193	30%	0.296	C	S	.	.	H	α-helix	trans	-53	-50.7	-173.3	-179.2	43	0	0	0	112.6	F322 Y330 K336 I337 S338	F322-N334 HydrophobicContact CD1-CB 4.45Å; F322-N334 HydrophobicContact CE1-CB 4.05Å; Y330-N334 HydrophobicContact CD1-CB 4.21Å; Y330-N334 HydrophobicContact CE1-CB 3.86Å; Y330-N334 VanDerWaalsContact O-CB 3.28Å; Y330-N334 WeakPolarHBondContact O-CB 3.47Å; Y330-N334 PolarHBondContact O-N 2.87Å; Y330-N334 PolarHBondContact OH-OD1 3.23Å; N334-K336 VanDerWaalsContact C-N 3.3Å; N334-K336 PolarHBondContact O-N 3.27Å; N334-I337 PolarHBondContact O-N 3.34Å; N334-S338 WeakPolarHBondContact O-CB 3.25Å; N334-S338 PolarHBondContact O-N 2.84Å
335	A	92.3	Very high	88.7	Confident	73 Å²	73	63.9 Å²	63.9	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-61.8	-37.9	179.1	0	0	0	0	0	112.6	W333 D339	W333-A335 PolarHBondContact O-N 3.08Å; A335-D339 WeakPolarHBondContact O-CB 3.49Å; A335-D339 PolarHBondContact O-N 3.35Å; A335-D339 VanDerWaalsContact O-N 3.07Å
336	K	92.9	Very high	88.4	Confident	104 Å²	104	66.7 Å²	66.7	45%	0.452	36%	0.358	S	S	.	.	H	α-helix	trans	-68.9	-46.6	178.7	-66.7	-174	178.8	-172	0	111.4	F243 W333 N334 S338 D339 F340	F243-K336 HydrophobicContact CE1-CB 3.78Å; F243-K336 WeakPolarHBondContact CE1-O 3.45Å; F243-K336 HydrophobicContact CZ-CB 3.68Å; F243-K336 WeakPolarHBondContact CZ-O 3.48Å; W333-K336 HydrophobicContact CE3-CB 4.1Å; W333-K336 HydrophobicContact CE3-CD 3.84Å; W333-K336 HydrophobicContact CZ3-CD 3.84Å; W333-K336 WeakPolarHBondContact O-CA 3.37Å; W333-K336 WeakPolarHBondContact O-CB 3.42Å; W333-K336 PolarHBondContact O-N 2.9Å; N334-K336 VanDerWaalsContact C-N 3.3Å; N334-K336 PolarHBondContact O-N 3.27Å; K336-S338 VanDerWaalsContact C-N 3.35Å; K336-D339 PolarHBondContact O-N 3.48Å; K336-F340 WeakPolarHBondContact O-CB 3.44Å; K336-F340 PolarHBondContact O-N 2.99Å
337	I	92.6	Very high	88.2	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-63.4	-42.8	177.7	-67.7	-58	0	0	0	110.6	M271 I273 L300 F322 W333 N334 D339 F340 F341	M271-I337 HydrophobicContact CE-CD1 3.83Å; M271-I337 HydrophobicContact CE-CG1 3.7Å; I273-I337 HydrophobicContact CD1-CD1 3.83Å; L300-I337 HydrophobicContact CD2-CG2 4.13Å; F322-I337 HydrophobicContact CB-CG2 4.49Å; F322-I337 HydrophobicContact CD2-CG2 4.43Å; F322-I337 HydrophobicContact CE2-CG1 4.37Å; F322-I337 HydrophobicContact CG-CG2 4.26Å; F322-I337 HydrophobicContact CZ-CG1 4.44Å; W333-I337 HydrophobicContact CB-CG1 4.39Å; W333-I337 WeakPolarHBondContact O-CG1 3.38Å; W333-I337 PolarHBondContact O-N 3.27Å; N334-I337 PolarHBondContact O-N 3.34Å; I337-D339 VanDerWaalsContact C-N 3.35Å; I337-D339 PolarHBondContact O-N 3.14Å; I337-F340 PolarHBondContact O-N 3.4Å; I337-F341 HydrophobicContact CG2-CD2 3.8Å; I337-F341 HydrophobicContact CG2-CE2 3.93Å; I337-F341 WeakPolarHBondContact O-CD2 3.42Å; I337-F341 PolarHBondContact O-N 3.15Å
338	S	92.7	Very high	88	Confident	12 Å²	12	65.1 Å²	65.1	8%	0.084	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-45.2	175	-179.1	0	0	0	0	112.3	L300 N334 K336 F341 K342	L300-S338 VanDerWaalsContact O-CA 3.29Å; L300-S338 WeakPolarHBondContact O-CA 3.43Å; L300-S338 PolarHBondContact O-N 3.23Å; N334-S338 WeakPolarHBondContact O-CB 3.25Å; N334-S338 PolarHBondContact O-N 2.84Å; K336-S338 VanDerWaalsContact C-N 3.35Å; S338-F341 PolarHBondContact O-N 3.48Å; S338-K342 WeakPolarHBondContact O-CB 3.39Å; S338-K342 VanDerWaalsContact O-CG 3.27Å; S338-K342 WeakPolarHBondContact O-CG 3.01Å; S338-K342 PolarHBondContact O-N 3.01Å; S338-K342 VanDerWaalsContact O-N 3.08Å; S338-K342 WeakPolarHBondContact OG-CE 3.3Å; S338-K342 PolarHBondContact OG-NZ 2.73Å; S338-K342 VanDerWaalsContact OG-NZ 3.15Å
339	D	91.7	Very high	87.7	Confident	94 Å²	94	63.6 Å²	63.6	50%	0.503	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-41.3	179	-170.2	56.8	0	0	0	112.4	A335 K336 I337 F341 K342 T343	A335-D339 WeakPolarHBondContact O-CB 3.49Å; A335-D339 PolarHBondContact O-N 3.35Å; A335-D339 VanDerWaalsContact O-N 3.07Å; K336-D339 PolarHBondContact O-N 3.48Å; I337-D339 VanDerWaalsContact C-N 3.35Å; I337-D339 PolarHBondContact O-N 3.14Å; D339-F341 PolarHBondContact O-N 2.98Å; D339-K342 PolarHBondContact O-N 3.18Å; D339-T343 WeakPolarHBondContact O-CG2 3.44Å; D339-T343 PolarHBondContact O-N 3.15Å; D339-T343 VanDerWaalsContact O-N 3.14Å; D339-T343 PolarHBondContact O-OG1 2.75Å
340	F	91.6	Very high	87.4	Confident	16 Å²	16	66.6 Å²	66.6	7%	0.07	36%	0.363	C	S	.	.	H	α-helix	trans	-58.1	-49.4	175.6	177.1	-95.7	0	0	0	111.6	L236 D239 L240 F243 K336 I337 K342 T343 S344	L236-F340 HydrophobicContact CD1-CE1 3.68Å; L236-F340 HydrophobicContact CD1-CZ 3.95Å; D239-F340 HydrophobicContact CB-CE2 4.08Å; D239-F340 HydrophobicContact CB-CZ 3.96Å; L240-F340 HydrophobicContact CB-CZ 4.39Å; L240-F340 HydrophobicContact CD2-CD1 3.52Å; L240-F340 HydrophobicContact CD2-CD2 4.43Å; L240-F340 HydrophobicContact CD2-CE1 3.26Å; L240-F340 HydrophobicContact CD2-CE2 4.22Å; L240-F340 HydrophobicContact CD2-CG 4.11Å; L240-F340 HydrophobicContact CD2-CZ 3.65Å; L240-F340 HydrophobicContact CG-CD1 4.33Å; L240-F340 HydrophobicContact CG-CE1 3.57Å; L240-F340 HydrophobicContact CG-CE2 4.47Å; L240-F340 HydrophobicContact CG-CZ 3.65Å; F243-F340 HydrophobicContact CB-CD2 3.73Å; F243-F340 HydrophobicContact CB-CE2 3.93Å; F243-F340 HydrophobicContact CD1-CB 4.16Å; F243-F340 HydrophobicContact CD1-CD2 4.06Å; F243-F340 HydrophobicContact CD1-CG 4.28Å; F243-F340 HydrophobicContact CD2-CB 4.28Å; F243-F340 AromaticContact CD2-CD2 3.78Å; F243-F340 HydrophobicContact CD2-CD2 3.78Å; F243-F340 HydrophobicContact CD2-CG 4.46Å; F243-F340 HydrophobicContact CE1-CB 3.97Å; F243-F340 HydrophobicContact CE2-CB 4.1Å; F243-F340 HydrophobicContact CE2-CD2 4.42Å; F243-F340 HydrophobicContact CG-CB 4.31Å; F243-F340 AromaticContact CG-CD2 3.57Å; F243-F340 HydrophobicContact CG-CD2 3.57Å; F243-F340 HydrophobicContact CG-CE2 4.28Å; F243-F340 HydrophobicContact CG-CG 4.22Å; F243-F340 HydrophobicContact CZ-CB 3.95Å; K336-F340 WeakPolarHBondContact O-CB 3.44Å; K336-F340 PolarHBondContact O-N 2.99Å; I337-F340 PolarHBondContact O-N 3.4Å; F340-K342 PolarHBondContact O-N 3.06Å; F340-T343 PolarHBondContact O-N 3.48Å; F340-T343 PolarHBondContact O-OG1 3.01Å; F340-T343 VanDerWaalsContact O-OG1 3.06Å; F340-S344 WeakPolarHBondContact O-CB 3.26Å; F340-S344 PolarHBondContact O-N 2.71Å; F340-S344 VanDerWaalsContact O-N 3.07Å; F340-S344 PolarHBondContact O-OG 2.88Å; F340-S344 VanDerWaalsContact O-OG 3.1Å
341	F	89.6	Confident	86.8	Confident	29 Å²	29	70.5 Å²	70.5	13%	0.127	39%	0.385	C	S	.	.	H	α-helix	trans	-75.1	-24.1	-177.1	-77.5	-72	0	0	0	114.3	L236 L240 I273 P275 L300 I337 S338 D339 S344 S345	L236-F341 HydrophobicContact CD1-CE1 3.9Å; L236-F341 HydrophobicContact CD1-CZ 4.43Å; L236-F341 HydrophobicContact CD2-CE1 4.11Å; L236-F341 HydrophobicContact CD2-CZ 4.44Å; L240-F341 HydrophobicContact CD2-CE2 4.48Å; L240-F341 HydrophobicContact CD2-CZ 4.48Å; I273-F341 HydrophobicContact CG2-CE2 3.78Å; I273-F341 HydrophobicContact CG2-CZ 3.71Å; P275-F341 HydrophobicContact CB-CD1 4.28Å; P275-F341 HydrophobicContact CB-CE1 3.45Å; P275-F341 VanDerWaalsContact CB-CE1 3.45Å; P275-F341 HydrophobicContact CB-CZ 3.83Å; P275-F341 HydrophobicContact CG-CE1 4.16Å; P275-F341 HydrophobicContact CG-CZ 4.23Å; L300-F341 HydrophobicContact CB-CB 4.46Å; L300-F341 HydrophobicContact CB-CD2 4.19Å; L300-F341 HydrophobicContact CB-CG 4.44Å; L300-F341 HydrophobicContact CD1-CB 4.34Å; L300-F341 HydrophobicContact CD1-CD1 3.96Å; L300-F341 HydrophobicContact CD1-CD2 3.9Å; L300-F341 HydrophobicContact CD1-CE1 4.22Å; L300-F341 HydrophobicContact CD1-CE2 4.19Å; L300-F341 HydrophobicContact CD1-CG 3.79Å; L300-F341 HydrophobicContact CD1-CZ 4.35Å; L300-F341 HydrophobicContact CD2-CD2 3.77Å; L300-F341 HydrophobicContact CD2-CE2 3.67Å; L300-F341 HydrophobicContact CD2-CZ 4.31Å; L300-F341 HydrophobicContact CG-CD2 4.18Å; L300-F341 HydrophobicContact CG-CE2 4.47Å; L300-F341 HydrophobicContact CG-CG 4.48Å; I337-F341 HydrophobicContact CG2-CD2 3.8Å; I337-F341 HydrophobicContact CG2-CE2 3.93Å; I337-F341 WeakPolarHBondContact O-CD2 3.42Å; I337-F341 PolarHBondContact O-N 3.15Å; S338-F341 PolarHBondContact O-N 3.48Å; D339-F341 PolarHBondContact O-N 2.98Å; F341-S344 WeakPolarHBondContact CA-OG 3.31Å; F341-S344 PolarHBondContact O-OG 3.34Å; F341-S345 PolarHBondContact O-N 2.86Å; F341-S345 PolarHBondContact O-OG 3.05Å
342	K	85.6	Confident	86.2	Confident	132 Å²	132	69.2 Å²	69.2	57%	0.574	38%	0.379	S	S	*	.	H	α-helix	trans	-72.5	-29.1	171.9	-78.3	172.1	179.8	163.1	0	113.6	S338 D339 F340 S345	S338-K342 WeakPolarHBondContact O-CB 3.39Å; S338-K342 VanDerWaalsContact O-CG 3.27Å; S338-K342 WeakPolarHBondContact O-CG 3.01Å; S338-K342 PolarHBondContact O-N 3.01Å; S338-K342 VanDerWaalsContact O-N 3.08Å; S338-K342 WeakPolarHBondContact OG-CE 3.3Å; S338-K342 PolarHBondContact OG-NZ 2.73Å; S338-K342 VanDerWaalsContact OG-NZ 3.15Å; D339-K342 PolarHBondContact O-N 3.18Å; F340-K342 PolarHBondContact O-N 3.06Å; K342-S345 PolarHBondContact O-OG 3.16Å
343	T	77.8	Confident	85.7	Confident	101 Å²	101	63.1 Å²	63.1	62%	0.62	37%	0.365	S	S	*	.	H	α-helix	trans	-92.9	-21.6	-178.4	51.4	0	0	0	0	112.8	D339 F340	D339-T343 WeakPolarHBondContact O-CG2 3.44Å; D339-T343 PolarHBondContact O-N 3.15Å; D339-T343 VanDerWaalsContact O-N 3.14Å; D339-T343 PolarHBondContact O-OG1 2.75Å; F340-T343 PolarHBondContact O-N 3.48Å; F340-T343 PolarHBondContact O-OG1 3.01Å; F340-T343 VanDerWaalsContact O-OG1 3.06Å
344	S	65.3	Low	85.1	Confident	66 Å²	66	67.3 Å²	67.3	46%	0.462	39%	0.391	S	S	.	.	H	α-helix	trans	-86.3	-18	177.1	64.6	0	0	0	0	114.8	F340 F341	F340-S344 WeakPolarHBondContact O-CB 3.26Å; F340-S344 PolarHBondContact O-N 2.71Å; F340-S344 VanDerWaalsContact O-N 3.07Å; F340-S344 PolarHBondContact O-OG 2.88Å; F340-S344 VanDerWaalsContact O-OG 3.1Å; F341-S344 WeakPolarHBondContact CA-OG 3.31Å; F341-S344 PolarHBondContact O-OG 3.34Å
345	S	55.4	Low	84.3	Confident	144 Å²	144	70.1 Å²	70.1	100%	1.007	41%	0.409	S	S	*	.			trans	-84	0	173.5	61	0	0	0	0	110.9	F341 K342	F341-S345 PolarHBondContact O-N 2.86Å; F341-S345 PolarHBondContact O-OG 3.05Å; K342-S345 PolarHBondContact O-OG 3.16Å

Retrieved 345 of 345 residues in 783.7 ms (Link to these results)

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