A0A096NTQ1_PAPAN Loading...

protein-ribulosamine 3-kinase

AlphaFold DB (H9ZDK8), UniProt , Accession A0A096NTQ1, Species PAPAN (Papio anubis, Olive baboon), Gene FN3KRP, Length 309 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	91.9	Very high	94.1	Very high	55 Å²	55	65.9 Å²	65.9	27%	0.271	31%	0.312	S	S	.	.				0	-55.3	0	-167.4	54.3	74.4	0	0	111.8	E3 L4 L5 Y31 V40 V42 V85	M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.64Å; M1-L4 WeakPolarHBondContact O-CB 3.09Å; M1-L4 PolarHBondContact O-N 3Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-L4 HydrophobicContact SD-CD2 4.11Å; M1-L5 HydrophobicContact CG-CD1 3.89Å; M1-L5 HydrophobicContact CG-CG 4.2Å; M1-L5 WeakPolarHBondContact O-CG 3.37Å; M1-L5 PolarHBondContact O-N 3.33Å; M1-L5 HydrophobicContact SD-CD1 4.38Å; M1-L5 HydrophobicContact SD-CD2 4.41Å; M1-L5 HydrophobicContact SD-CG 4.13Å; M1-Y31 HydrophobicContact CG-CE1 4.24Å; M1-Y31 HydrophobicContact CG-CE2 4.18Å; M1-Y31 VanDerWaalsContact CG-OH 3.3Å; M1-Y31 WeakPolarHBondContact CG-OH 3.26Å; M1-V40 HydrophobicContact SD-CG1 4.3Å; M1-V42 HydrophobicContact CE-CG1 4.45Å; M1-V42 HydrophobicContact CE-CG2 3.65Å; M1-V85 HydrophobicContact CE-CG1 4.44Å; M1-V85 HydrophobicContact CE-CG2 3.71Å; M1-V85 HydrophobicContact SD-CG1 4.5Å; M1-V85 HydrophobicContact SD-CG2 4.43Å
2	E	93.8	Very high	93.9	Very high	77 Å²	77	65.3 Å²	65.3	36%	0.36	34%	0.336	S	S	.	.	H	α-helix	trans	-55.9	-42.7	-177.8	-63.3	-177.8	167.1	0	0	113.7	L5 R6 V14 A16 Y31	E2-L5 PolarHBondContact O-N 2.93Å; E2-R6 VanDerWaalsContact O-CB 3.3Å; E2-R6 WeakPolarHBondContact O-CB 3.2Å; E2-R6 PolarHBondContact O-N 2.97Å; E2-V14 HydrophobicContact CB-CG1 4.29Å; E2-V14 HydrophobicContact CG-CG1 4.38Å; E2-A16 PolarHBondContact OE1-N 2.75Å; E2-Y31 HydrophobicContact CG-CD1 4.09Å; E2-Y31 HydrophobicContact CG-CE1 3.8Å
3	E	94.3	Very high	93.9	Very high	157 Å²	157	64.2 Å²	64.2	73%	0.734	34%	0.338	S	S	*	.	H	α-helix	trans	-65.2	-40.8	176.8	-169.7	176.8	-167	0	0	112.9	M1 R6 R7	M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.64Å; E3-R6 PolarHBondContact O-N 2.87Å; E3-R7 PolarHBondContact O-N 3.43Å; E3-R7 VanDerWaalsContact O-N 3.09Å
4	L	94.3	Very high	93.9	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-52.5	173.8	173.8	67.1	0	0	0	110.3	M1 R6 R7 E8 L77 D78 P80	M1-L4 WeakPolarHBondContact O-CB 3.09Å; M1-L4 PolarHBondContact O-N 3Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-L4 HydrophobicContact SD-CD2 4.11Å; L4-R6 VanDerWaalsContact C-N 3.32Å; L4-R6 PolarHBondContact O-N 2.91Å; L4-R7 PolarHBondContact O-N 3.25Å; L4-E8 HydrophobicContact CD1-CG 3.67Å; L4-E8 HydrophobicContact CG-CG 4.27Å; L4-E8 WeakPolarHBondContact O-CB 3.35Å; L4-E8 VanDerWaalsContact O-CG 3.27Å; L4-E8 WeakPolarHBondContact O-CG 3.35Å; L4-E8 PolarHBondContact O-N 3.1Å; L4-L77 HydrophobicContact CD2-CB 4.48Å; L4-L77 HydrophobicContact CD2-CD1 4.39Å; L4-L77 HydrophobicContact CG-CD1 4.31Å; L4-D78 WeakPolarHBondContact CD2-O 3.33Å; L4-P80 HydrophobicContact CB-CG 4.27Å; L4-P80 HydrophobicContact CD2-CG 3.89Å
5	L	94.9	Very high	93.9	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-40.8	179.7	-65.3	174.6	0	0	0	111.5	M1 E2 R7 E8 L9 V14 Y31 V40 V87	M1-L5 HydrophobicContact CG-CD1 3.89Å; M1-L5 HydrophobicContact CG-CG 4.2Å; M1-L5 WeakPolarHBondContact O-CG 3.37Å; M1-L5 PolarHBondContact O-N 3.33Å; M1-L5 HydrophobicContact SD-CD1 4.38Å; M1-L5 HydrophobicContact SD-CD2 4.41Å; M1-L5 HydrophobicContact SD-CG 4.13Å; E2-L5 PolarHBondContact O-N 2.93Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 3.33Å; L5-E8 PolarHBondContact O-N 2.98Å; L5-L9 HydrophobicContact CB-CD1 4.28Å; L5-L9 HydrophobicContact CD2-CD1 4.36Å; L5-L9 WeakPolarHBondContact O-CB 3.28Å; L5-L9 VanDerWaalsContact O-CG 3.26Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.27Å; L5-V14 HydrophobicContact CB-CG1 4.04Å; L5-V14 HydrophobicContact CB-CG2 4.31Å; L5-V14 HydrophobicContact CD1-CG1 4.1Å; L5-Y31 HydrophobicContact CD1-CD1 3.91Å; L5-Y31 HydrophobicContact CD1-CD2 3.75Å; L5-Y31 HydrophobicContact CD1-CE1 4.18Å; L5-Y31 HydrophobicContact CD1-CE2 4.03Å; L5-Y31 HydrophobicContact CD1-CG 3.7Å; L5-V40 HydrophobicContact CD1-CG2 3.89Å; L5-V40 HydrophobicContact CD2-CG2 4.08Å; L5-V87 HydrophobicContact CD2-CG1 4.46Å; L5-V87 HydrophobicContact CD2-CG2 3.69Å
6	R	95	Very high	93.8	Very high	114 Å²	114	65.8 Å²	65.8	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-56.9	-47.9	177.8	-169.6	-176.6	-63.8	163.7	2.2	111.2	E2 E3 L4 G10 C11 V14	E2-R6 VanDerWaalsContact O-CB 3.3Å; E2-R6 WeakPolarHBondContact O-CB 3.2Å; E2-R6 PolarHBondContact O-N 2.97Å; E3-R6 PolarHBondContact O-N 2.87Å; L4-R6 VanDerWaalsContact C-N 3.32Å; L4-R6 PolarHBondContact O-N 2.91Å; R6-G10 PolarHBondContact O-N 3.06Å; R6-C11 WeakPolarHBondContact CG-O 3.36Å; R6-C11 PolarHBondContact O-N 3Å; R6-V14 HydrophobicContact CB-CG2 3.92Å; R6-V14 HydrophobicContact CG-CG2 4.44Å
7	R	95.2	Very high	93.2	Very high	166 Å²	166	63.6 Å²	63.6	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-67.1	-51.8	178.6	-174	-174.9	68.7	-140	2.4	112	E3 L4 L5 L9 G10	E3-R7 PolarHBondContact O-N 3.43Å; E3-R7 VanDerWaalsContact O-N 3.09Å; L4-R7 PolarHBondContact O-N 3.25Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 3.33Å; R7-L9 PolarHBondContact O-N 3.43Å; R7-G10 PolarHBondContact O-N 3.38Å
8	E	95.6	Very high	92.1	Very high	56 Å²	56	63.1 Å²	63.1	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-73.9	-26.3	-171.1	-63.8	-61.3	141.5	0	0	113.6	L4 L5 K75 L77	L4-E8 HydrophobicContact CD1-CG 3.67Å; L4-E8 HydrophobicContact CG-CG 4.27Å; L4-E8 WeakPolarHBondContact O-CB 3.35Å; L4-E8 VanDerWaalsContact O-CG 3.27Å; L4-E8 WeakPolarHBondContact O-CG 3.35Å; L4-E8 PolarHBondContact O-N 3.1Å; L5-E8 PolarHBondContact O-N 2.98Å; E8-K75 IonicContact OE2-NZ 3.68Å; E8-K75 PolarHBondContact OE2-NZ 3.38Å; E8-L77 HydrophobicContact CB-CD1 3.83Å; E8-L77 HydrophobicContact CB-CD2 4.06Å; E8-L77 HydrophobicContact CG-CD1 3.85Å; E8-L77 HydrophobicContact CG-CD2 3.72Å; E8-L77 HydrophobicContact CG-CG 4.43Å
9	L	94.1	Very high	90.9	Very high	28 Å²	28	65.5 Å²	65.5	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-96.4	-6	176.9	-55.3	-179.6	0	0	0	113	L5 R7 C11 V38 I74 V87	L5-L9 HydrophobicContact CB-CD1 4.28Å; L5-L9 HydrophobicContact CD2-CD1 4.36Å; L5-L9 WeakPolarHBondContact O-CB 3.28Å; L5-L9 VanDerWaalsContact O-CG 3.26Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.27Å; R7-L9 PolarHBondContact O-N 3.43Å; L9-C11 VanDerWaalsContact C-N 3.29Å; L9-C11 PolarHBondContact O-N 3.49Å; L9-V38 HydrophobicContact CD1-CG1 4.36Å; L9-V38 HydrophobicContact CD1-CG2 4.33Å; L9-I74 HydrophobicContact CD2-CG2 3.71Å; L9-V87 HydrophobicContact CD1-CG1 4.26Å; L9-V87 HydrophobicContact CD2-CG1 4.31Å
10	G	93.8	Very high	89.8	Confident	42 Å²	42	68.1 Å²	68.1	43%	0.433	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	35.3	-176.9	0	0	0	0	0	113.2	R6 R7 R35	R6-G10 PolarHBondContact O-N 3.06Å; R7-G10 PolarHBondContact O-N 3.38Å; G10-R35 VanDerWaalsContact O-CZ 3.26Å; G10-R35 PolarHBondContact O-NE 3.37Å; G10-R35 PolarHBondContact O-NH2 3.32Å
11	C	92.2	Very high	88.5	Confident	11 Å²	11	66.4 Å²	66.4	7%	0.074	36%	0.364	C	S	.	.			trans	-90.4	144.7	-178.8	-73	0	0	0	0	111	R6 L9 V14 D34	R6-C11 WeakPolarHBondContact CG-O 3.36Å; R6-C11 PolarHBondContact O-N 3Å; L9-C11 VanDerWaalsContact C-N 3.29Å; L9-C11 PolarHBondContact O-N 3.49Å; C11-V14 HydrophobicContact CB-CG2 3.88Å; C11-D34 VanDerWaalsContact CA-OD1 3.31Å; C11-D34 WeakPolarHBondContact CA-OD1 3.48Å; C11-D34 WeakPolarHBondContact CB-OD1 3.45Å; C11-D34 PolarHBondContact SG-OD1 3.25Å
12	G	91.7	Very high	86.8	Confident	58 Å²	58	67 Å²	67	60%	0.598	38%	0.384	S	S	*	.	S	Bend	trans	-78.4	-27.7	170.8	0	0	0	0	0	112.5	D34	G12-D34 WeakPolarHBondContact CA-OD2 3.31Å; G12-D34 PolarHBondContact N-OD1 2.94Å; G12-D34 PolarHBondContact N-OD2 3.47Å
13	S	93.7	Very high	85.1	Confident	51 Å²	51	65.8 Å²	65.8	36%	0.357	39%	0.393	S	S	.	.			trans	-140.6	142	177.7	75.4	0	0	0	0	111.9	T33 D34	S13-T33 VanDerWaalsContact O-CA 3.31Å; S13-T33 WeakPolarHBondContact O-CA 3.5Å; S13-D34 PolarHBondContact O-N 3.1Å
14	V	94.6	Very high	83.3	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.012	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	127.8	173.9	179.9	0	0	0	0	107.1	E2 L5 R6 C11 Y31 D32 T33	E2-V14 HydrophobicContact CB-CG1 4.29Å; E2-V14 HydrophobicContact CG-CG1 4.38Å; L5-V14 HydrophobicContact CB-CG1 4.04Å; L5-V14 HydrophobicContact CB-CG2 4.31Å; L5-V14 HydrophobicContact CD1-CG1 4.1Å; R6-V14 HydrophobicContact CB-CG2 3.92Å; R6-V14 HydrophobicContact CG-CG2 4.44Å; C11-V14 HydrophobicContact CB-CG2 3.88Å; V14-Y31 HydrophobicContact CG1-CD1 3.91Å; V14-Y31 HydrophobicContact CG1-CG 4.31Å; V14-D32 CarbonylContact C-O 3.57Å; V14-D32 WeakPolarHBondContact CA-O 3.35Å; V14-T33 HydrophobicContact CG1-CG2 4.41Å; V14-T33 HydrophobicContact CG2-CG2 4.06Å
15	R	94.1	Very high	82.3	Confident	187 Å²	187	65.8 Å²	65.8	71%	0.706	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.8	177.7	-64.5	-174.9	-175.6	-137.2	0.7	110.8	T17 Y31 D32	R15-T17 PolarHBondContact O-N 2.79Å; R15-Y31 CarbonylContact O-C 3.57Å; R15-Y31 VanDerWaalsContact O-CA 3.32Å; R15-Y31 WeakPolarHBondContact O-CA 3.45Å; R15-D32 PolarHBondContact N-O 3.21Å; R15-D32 PolarHBondContact O-N 3.49Å
16	A	91.4	Very high	81.4	Confident	29 Å²	29	66.6 Å²	66.6	24%	0.24	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.3	173.5	0	0	0	0	0	111.7	E2 G18 R29 Y31	E2-A16 PolarHBondContact OE1-N 2.75Å; A16-G18 VanDerWaalsContact C-N 3.35Å; A16-G18 PolarHBondContact O-N 2.9Å; A16-R29 VanDerWaalsContact CB-CZ 3.47Å; A16-R29 VanDerWaalsContact CB-NH2 3.27Å; A16-Y31 HydrophobicContact CB-CD1 3.95Å; A16-Y31 HydrophobicContact CB-CE1 3.7Å
17	T	84.5	Confident	81	Confident	29 Å²	29	68.6 Å²	68.6	18%	0.178	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-3.6	-176.3	66	0	0	0	0	114.4	R15 H19 S30 D32	R15-T17 PolarHBondContact O-N 2.79Å; T17-H19 PolarHBondContact O-N 3.08Å; T17-H19 PolarHBondContact O-ND1 3.13Å; T17-H19 PolarHBondContact OG1-N 3.31Å; T17-H19 PolarHBondContact OG1-ND1 3.36Å; T17-S30 WeakPolarHBondContact CG2-O 3.43Å; T17-S30 PolarHBondContact N-O 3.4Å; T17-S30 WeakPolarHBondContact OG1-CB 3.31Å; T17-S30 PolarHBondContact OG1-O 2.73Å; T17-D32 HydrophobicContact CG2-CB 4.12Å; T17-D32 WeakPolarHBondContact CG2-OD1 3.42Å; T17-D32 WeakPolarHBondContact CG2-OD2 3.34Å
18	G	73.3	Confident	80.7	Confident	54 Å²	54	61 Å²	61	56%	0.557	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	76.4	-13.5	-171.3	0	0	0	0	0	114.9	A16 T20	A16-G18 VanDerWaalsContact C-N 3.35Å; A16-G18 PolarHBondContact O-N 2.9Å; G18-T20 PolarHBondContact O-N 2.9Å
19	H	68.9	Low	80.6	Confident	110 Å²	110	63.5 Å²	63.5	51%	0.509	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.8	175.4	-65.1	78.1	0	0	0	110.5	T17 R29 S30	T17-H19 PolarHBondContact O-N 3.08Å; T17-H19 PolarHBondContact O-ND1 3.13Å; T17-H19 PolarHBondContact OG1-N 3.31Å; T17-H19 PolarHBondContact OG1-ND1 3.36Å; H19-R29 WeakPolarHBondContact O-CA 3.48Å; H19-S30 PolarHBondContact O-N 3.07Å; H19-S30 VanDerWaalsContact O-N 3.16Å
20	T	69.6	Low	80.6	Confident	117 Å²	117	62.3 Å²	62.3	72%	0.718	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.7	172.9	54.5	0	0	0	0	109.2	G18 G28	G18-T20 PolarHBondContact O-N 2.9Å; T20-G28 CarbonylContact C-O 3.53Å; T20-G28 WeakPolarHBondContact CA-O 3.48Å
21	G	61.2	Low	80.7	Confident	32 Å²	32	60.9 Å²	60.9	33%	0.33	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.7	169	0	0	0	0	0	107.8	G28	G21-G28 PolarHBondContact N-O 3Å; G21-G28 CarbonylContact O-C 3.54Å; G21-G28 WeakPolarHBondContact O-CA 3.48Å; G21-G28 PolarHBondContact O-N 3.47Å; G21-G28 VanDerWaalsContact O-O 3.13Å
22	G	55.8	Low	80.9	Confident	67 Å²	67	63.6 Å²	63.6	69%	0.691	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.4	-177.3	0	0	0	0	0	110.8
23	G	58	Low	81	Confident	53 Å²	53	61.7 Å²	61.7	55%	0.546	37%	0.372	S	S	.	.			trans	-82.8	177.6	159.5	0	0	0	0	0	110.2	I25 S26	G23-I25 PolarHBondContact O-N 3.23Å; G23-S26 PolarHBondContact N-O 3.41Å
24	C	58.2	Low	81	Confident	123 Å²	123	63.7 Å²	63.7	83%	0.831	38%	0.378	S	S	*	.	S	Bend	trans	-61.9	-13.4	177.2	-59.5	0	0	0	0	114
25	I	71.7	Confident	80.9	Confident	52 Å²	52	72.4 Å²	72.4	27%	0.267	41%	0.411	S	S	.	.	S	Bend	trans	-119.6	-45.5	-163.5	-68.9	-178.4	0	0	0	111.8	G23 N43 M51 G152 Y153	G23-I25 PolarHBondContact O-N 3.23Å; I25-N43 PolarHBondContact O-ND2 3.15Å; I25-M51 HydrophobicContact CG2-CE 4.17Å; I25-M51 HydrophobicContact CG2-SD 3.91Å; I25-G152 VanDerWaalsContact CD1-CA 3.46Å; I25-Y153 HydrophobicContact CB-CD2 4.49Å; I25-Y153 HydrophobicContact CB-CE2 3.76Å; I25-Y153 HydrophobicContact CD1-CD2 3.72Å; I25-Y153 HydrophobicContact CD1-CE2 3.86Å; I25-Y153 HydrophobicContact CD1-CG 4.32Å; I25-Y153 HydrophobicContact CG1-CD2 3.85Å; I25-Y153 HydrophobicContact CG1-CE2 3.45Å; I25-Y153 VanDerWaalsContact CG1-CE2 3.45Å; I25-Y153 HydrophobicContact CG2-CD1 4.1Å; I25-Y153 HydrophobicContact CG2-CD2 4.07Å; I25-Y153 HydrophobicContact CG2-CE1 3.45Å; I25-Y153 VanDerWaalsContact CG2-CE1 3.45Å; I25-Y153 HydrophobicContact CG2-CE2 3.42Å; I25-Y153 VanDerWaalsContact CG2-CE2 3.42Å; I25-Y153 HydrophobicContact CG2-CG 4.38Å; I25-Y153 WeakPolarHBondContact CG2-OH 3.11Å; I25-Y153 PolarHBondContact O-OH 2.94Å
26	S	77.3	Confident	80.8	Confident	17 Å²	17	65.4 Å²	65.4	12%	0.119	40%	0.397	C	S	.	.			trans	-124.9	148.5	-171.7	-60	0	0	0	0	111.4	G23 N43	G23-S26 PolarHBondContact N-O 3.41Å; S26-N43 PolarHBondContact OG-ND2 3.39Å; S26-N43 VanDerWaalsContact OG-ND2 3.16Å
27	Q	85.9	Confident	81	Confident	157 Å²	157	68.1 Å²	68.1	73%	0.734	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.7	174.4	-63.6	179.7	9.7	0	0	109.2	K41 V42	Q27-K41 CarbonylContact O-C 3.54Å; Q27-K41 WeakPolarHBondContact O-CA 3.35Å; Q27-V42 PolarHBondContact N-O 3.48Å; Q27-V42 PolarHBondContact O-N 3.34Å
28	G	89.8	Confident	81.6	Confident	6 Å²	6	67.2 Å²	67.2	6%	0.062	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.5	176.2	0	0	0	0	0	112.5	T20 G21 V40	T20-G28 CarbonylContact C-O 3.53Å; T20-G28 WeakPolarHBondContact CA-O 3.48Å; G21-G28 PolarHBondContact N-O 3Å; G21-G28 CarbonylContact O-C 3.54Å; G21-G28 WeakPolarHBondContact O-CA 3.48Å; G21-G28 PolarHBondContact O-N 3.47Å; G21-G28 VanDerWaalsContact O-O 3.13Å; G28-V40 CarbonylContact C-O 3.51Å; G28-V40 VanDerWaalsContact CA-O 3.23Å; G28-V40 WeakPolarHBondContact CA-O 3.48Å
29	R	92.3	Very high	82.6	Confident	108 Å²	108	66.5 Å²	66.5	41%	0.408	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.1	179.5	-169.7	170.8	-173.9	-173.5	-0.2	111	A16 H19 Y31 V40	A16-R29 VanDerWaalsContact CB-CZ 3.47Å; A16-R29 VanDerWaalsContact CB-NH2 3.27Å; H19-R29 WeakPolarHBondContact O-CA 3.48Å; R29-Y31 HydrophobicContact CB-CE2 3.93Å; R29-Y31 HydrophobicContact CG-CE2 3.98Å; R29-V40 PolarHBondContact N-O 3.14Å; R29-V40 PolarHBondContact O-N 3.27Å
30	S	94.6	Very high	83.9	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.028	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	142.8	177.4	-40.3	0	0	0	0	112	T17 H19 V38 H90	T17-S30 WeakPolarHBondContact CG2-O 3.43Å; T17-S30 PolarHBondContact N-O 3.4Å; T17-S30 WeakPolarHBondContact OG1-CB 3.31Å; T17-S30 PolarHBondContact OG1-O 2.73Å; H19-S30 PolarHBondContact O-N 3.07Å; H19-S30 VanDerWaalsContact O-N 3.16Å; S30-V38 CarbonylContact C-O 3.29Å; S30-V38 VanDerWaalsContact CA-O 3.28Å; S30-V38 WeakPolarHBondContact CA-O 3.42Å; S30-H90 WeakPolarHBondContact CB-ND1 3.34Å; S30-H90 PolarHBondContact OG-CE1 2.89Å; S30-H90 VanDerWaalsContact OG-CE1 3.26Å; S30-H90 PolarHBondContact OG-ND1 3.4Å
31	Y	95.6	Very high	85.1	Confident	12 Å²	12	56.4 Å²	56.4	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.1	179.3	-65.7	-98.2	0	0	0	110.6	M1 E2 L5 V14 R15 A16 R29 R37 V38 V40	M1-Y31 HydrophobicContact CG-CE1 4.24Å; M1-Y31 HydrophobicContact CG-CE2 4.18Å; M1-Y31 VanDerWaalsContact CG-OH 3.3Å; M1-Y31 WeakPolarHBondContact CG-OH 3.26Å; E2-Y31 HydrophobicContact CG-CD1 4.09Å; E2-Y31 HydrophobicContact CG-CE1 3.8Å; L5-Y31 HydrophobicContact CD1-CD1 3.91Å; L5-Y31 HydrophobicContact CD1-CD2 3.75Å; L5-Y31 HydrophobicContact CD1-CE1 4.18Å; L5-Y31 HydrophobicContact CD1-CE2 4.03Å; L5-Y31 HydrophobicContact CD1-CG 3.7Å; V14-Y31 HydrophobicContact CG1-CD1 3.91Å; V14-Y31 HydrophobicContact CG1-CG 4.31Å; R15-Y31 CarbonylContact O-C 3.57Å; R15-Y31 VanDerWaalsContact O-CA 3.32Å; R15-Y31 WeakPolarHBondContact O-CA 3.45Å; A16-Y31 HydrophobicContact CB-CD1 3.95Å; A16-Y31 HydrophobicContact CB-CE1 3.7Å; R29-Y31 HydrophobicContact CB-CE2 3.93Å; R29-Y31 HydrophobicContact CG-CE2 3.98Å; Y31-R37 WeakPolarHBondContact O-CA 3.43Å; Y31-R37 WeakPolarHBondContact O-CG 3.49Å; Y31-V38 PolarHBondContact N-O 3.12Å; Y31-V38 PolarHBondContact O-N 3.38Å; Y31-V40 HydrophobicContact CD2-CB 4.03Å; Y31-V40 HydrophobicContact CD2-CG2 3.59Å; Y31-V40 HydrophobicContact CE2-CB 3.88Å; Y31-V40 HydrophobicContact CE2-CG1 4.44Å; Y31-V40 HydrophobicContact CE2-CG2 3.9Å
32	D	95.9	Very high	86.7	Confident	67 Å²	67	56.7 Å²	56.7	36%	0.358	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130	169.4	-73.9	-30.2	0	0	0	108.9	V14 R15 T17 R37	V14-D32 CarbonylContact C-O 3.57Å; V14-D32 WeakPolarHBondContact CA-O 3.35Å; R15-D32 PolarHBondContact N-O 3.21Å; R15-D32 PolarHBondContact O-N 3.49Å; T17-D32 HydrophobicContact CG2-CB 4.12Å; T17-D32 WeakPolarHBondContact CG2-OD1 3.42Å; T17-D32 WeakPolarHBondContact CG2-OD2 3.34Å; D32-R37 IonicContact OD1-CZ 3.76Å; D32-R37 VanDerWaalsContact OD1-CZ 3.31Å; D32-R37 IonicContact OD1-NE 2.73Å; D32-R37 PolarHBondContact OD1-NE 3.45Å; D32-R37 IonicContact OD1-NH2 3.63Å; D32-R37 PolarHBondContact OD1-NH2 3.46Å; D32-R37 IonicContact OD2-NH2 3.18Å; D32-R37 PolarHBondContact OD2-NH2 3.2Å
33	T	94.9	Very high	88.4	Confident	19 Å²	19	53.6 Å²	53.6	12%	0.117	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	165.8	173.5	84.5	0	0	0	0	110.2	S13 V14 R35 G36 V38	S13-T33 VanDerWaalsContact O-CA 3.31Å; S13-T33 WeakPolarHBondContact O-CA 3.5Å; V14-T33 HydrophobicContact CG1-CG2 4.41Å; V14-T33 HydrophobicContact CG2-CG2 4.06Å; T33-R35 PolarHBondContact O-N 3.45Å; T33-R35 VanDerWaalsContact O-N 3.17Å; T33-R35 PolarHBondContact OG1-N 3.01Å; T33-G36 WeakPolarHBondContact CB-O 3.48Å; T33-G36 PolarHBondContact N-O 3.28Å; T33-G36 PolarHBondContact O-N 2.75Å; T33-G36 PolarHBondContact OG1-N 2.83Å; T33-G36 PolarHBondContact OG1-O 2.93Å; T33-V38 HydrophobicContact CG2-CG2 4.16Å
34	D	93.2	Very high	90	Very high	92 Å²	92	56 Å²	56	49%	0.492	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-3.4	171.1	60.1	-23	0	0	0	113.9	C11 G12 S13	C11-D34 VanDerWaalsContact CA-OD1 3.31Å; C11-D34 WeakPolarHBondContact CA-OD1 3.48Å; C11-D34 WeakPolarHBondContact CB-OD1 3.45Å; C11-D34 PolarHBondContact SG-OD1 3.25Å; G12-D34 WeakPolarHBondContact CA-OD2 3.31Å; G12-D34 PolarHBondContact N-OD1 2.94Å; G12-D34 PolarHBondContact N-OD2 3.47Å; S13-D34 PolarHBondContact O-N 3.1Å
35	R	92.3	Very high	91.5	Very high	185 Å²	185	54.9 Å²	54.9	70%	0.698	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	11.9	177.3	-58.9	-174.3	179.9	-151	1.4	113.2	G10 T33	G10-R35 VanDerWaalsContact O-CZ 3.26Å; G10-R35 PolarHBondContact O-NE 3.37Å; G10-R35 PolarHBondContact O-NH2 3.32Å; T33-R35 PolarHBondContact O-N 3.45Å; T33-R35 VanDerWaalsContact O-N 3.17Å; T33-R35 PolarHBondContact OG1-N 3.01Å
36	G	92.6	Very high	92.1	Very high	40 Å²	40	56.4 Å²	56.4	41%	0.412	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	108.9	168.4	-175.7	0	0	0	0	0	113.1	T33	T33-G36 WeakPolarHBondContact CB-O 3.48Å; T33-G36 PolarHBondContact N-O 3.28Å; T33-G36 PolarHBondContact O-N 2.75Å; T33-G36 PolarHBondContact OG1-N 2.83Å; T33-G36 PolarHBondContact OG1-O 2.93Å
37	R	95.3	Very high	92.4	Very high	87 Å²	87	62 Å²	62	33%	0.328	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	137.3	-177.9	-172.5	179.4	-73.3	169.1	-2.3	111	Y31 D32 H90	Y31-R37 WeakPolarHBondContact O-CA 3.43Å; Y31-R37 WeakPolarHBondContact O-CG 3.49Å; D32-R37 IonicContact OD1-CZ 3.76Å; D32-R37 VanDerWaalsContact OD1-CZ 3.31Å; D32-R37 IonicContact OD1-NE 2.73Å; D32-R37 PolarHBondContact OD1-NE 3.45Å; D32-R37 IonicContact OD1-NH2 3.63Å; D32-R37 PolarHBondContact OD1-NH2 3.46Å; D32-R37 IonicContact OD2-NH2 3.18Å; D32-R37 PolarHBondContact OD2-NH2 3.2Å; R37-H90 HydrophobicContact CB-CB 4Å; R37-H90 WeakPolarHBondContact CD-CD2 3.3Å; R37-H90 HydrophobicContact CG-CB 3.58Å; R37-H90 WeakPolarHBondContact O-CB 3.47Å; R37-H90 PolarHBondContact O-N 3.05Å
38	V	96.5	Very high	92.6	Very high	10 Å²	10	54.6 Å²	54.6	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.4	176	-61.5	0	0	0	0	111	L9 S30 Y31 T33 V40 I74 V87 M88	L9-V38 HydrophobicContact CD1-CG1 4.36Å; L9-V38 HydrophobicContact CD1-CG2 4.33Å; S30-V38 CarbonylContact C-O 3.29Å; S30-V38 VanDerWaalsContact CA-O 3.28Å; S30-V38 WeakPolarHBondContact CA-O 3.42Å; Y31-V38 PolarHBondContact N-O 3.12Å; Y31-V38 PolarHBondContact O-N 3.38Å; T33-V38 HydrophobicContact CG2-CG2 4.16Å; V38-V40 HydrophobicContact CG2-CG2 4.16Å; V38-I74 HydrophobicContact CG1-CD1 3.8Å; V38-V87 HydrophobicContact CB-CG1 4.1Å; V38-V87 HydrophobicContact CG1-CG1 4.44Å; V38-V87 HydrophobicContact CG2-CG1 4.31Å; V38-M88 WeakPolarHBondContact CA-O 3.36Å
39	F	96.1	Very high	92.8	Very high	39 Å²	39	58.7 Å²	58.7	17%	0.171	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.9	170.1	-174.9	-103.2	0	0	0	109.5	K41 M88 H90	F39-K41 HydrophobicContact CD1-CG 4.2Å; F39-K41 HydrophobicContact CE1-CD 4.46Å; F39-K41 HydrophobicContact CE1-CG 3.63Å; F39-M88 HydrophobicContact CB-CG 4.12Å; F39-M88 HydrophobicContact CD1-CG 4.18Å; F39-M88 HydrophobicContact CD1-SD 4.13Å; F39-M88 PolarHBondContact N-O 2.98Å; F39-M88 PolarHBondContact O-N 2.89Å; F39-H90 HydrophobicContact CB-CB 4.26Å
40	V	95.6	Very high	92.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.4	-171.5	-179.5	0	0	0	0	109.1	M1 L5 G28 R29 Y31 V38 V42 V85 L86 V87	M1-V40 HydrophobicContact SD-CG1 4.3Å; L5-V40 HydrophobicContact CD1-CG2 3.89Å; L5-V40 HydrophobicContact CD2-CG2 4.08Å; G28-V40 CarbonylContact C-O 3.51Å; G28-V40 VanDerWaalsContact CA-O 3.23Å; G28-V40 WeakPolarHBondContact CA-O 3.48Å; R29-V40 PolarHBondContact N-O 3.14Å; R29-V40 PolarHBondContact O-N 3.27Å; Y31-V40 HydrophobicContact CD2-CB 4.03Å; Y31-V40 HydrophobicContact CD2-CG2 3.59Å; Y31-V40 HydrophobicContact CE2-CB 3.88Å; Y31-V40 HydrophobicContact CE2-CG1 4.44Å; Y31-V40 HydrophobicContact CE2-CG2 3.9Å; V38-V40 HydrophobicContact CG2-CG2 4.16Å; V40-V42 HydrophobicContact CG1-CG2 4.09Å; V40-V85 HydrophobicContact CG1-CG1 3.27Å; V40-L86 WeakPolarHBondContact CA-O 3.28Å; V40-V87 HydrophobicContact CG2-CG1 4.25Å; V40-V87 HydrophobicContact CG2-CG2 4.33Å
41	K	94.9	Very high	92.9	Very high	14 Å²	14	61.2 Å²	61.2	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.9	170	-66.2	-179.5	173	-177	0	109.9	Q27 F39 F52 E55 V85 L86 M88 D234	Q27-K41 CarbonylContact O-C 3.54Å; Q27-K41 WeakPolarHBondContact O-CA 3.35Å; F39-K41 HydrophobicContact CD1-CG 4.2Å; F39-K41 HydrophobicContact CE1-CD 4.46Å; F39-K41 HydrophobicContact CE1-CG 3.63Å; K41-F52 HydrophobicContact CB-CE1 3.72Å; K41-F52 HydrophobicContact CB-CZ 3.75Å; K41-F52 HydrophobicContact CD-CE1 4.01Å; K41-E55 VanDerWaalsContact NZ-CD 3.28Å; K41-E55 IonicContact NZ-OE1 2.6Å; K41-E55 PolarHBondContact NZ-OE1 3.24Å; K41-E55 IonicContact NZ-OE2 2.99Å; K41-E55 PolarHBondContact NZ-OE2 2.9Å; K41-E55 VanDerWaalsContact NZ-OE2 3.16Å; K41-V85 CarbonylContact O-C 3.54Å; K41-V85 WeakPolarHBondContact O-CA 3.46Å; K41-V85 WeakPolarHBondContact O-CG1 3.42Å; K41-L86 HydrophobicContact CB-CB 4.34Å; K41-L86 PolarHBondContact N-O 3.38Å; K41-L86 PolarHBondContact O-N 2.57Å; K41-M88 HydrophobicContact CD-CE 3.99Å; K41-M88 HydrophobicContact CG-CE 4.41Å; K41-D234 IonicContact NZ-OD1 3.12Å; K41-D234 PolarHBondContact NZ-OD1 2.69Å; K41-D234 IonicContact NZ-OD2 2.79Å; K41-D234 PolarHBondContact NZ-OD2 2.9Å
42	V	93.8	Very high	92.9	Very high	39 Å²	39	60.6 Å²	60.6	24%	0.236	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.3	179.4	-171.7	0	0	0	0	108.9	M1 Q27 V40 A79 V85	M1-V42 HydrophobicContact CE-CG1 4.45Å; M1-V42 HydrophobicContact CE-CG2 3.65Å; Q27-V42 PolarHBondContact N-O 3.48Å; Q27-V42 PolarHBondContact O-N 3.34Å; V40-V42 HydrophobicContact CG1-CG2 4.09Å; V42-A79 HydrophobicContact CG1-CB 4.26Å; V42-V85 HydrophobicContact CG1-CG2 4.47Å; V42-V85 HydrophobicContact CG2-CG2 4.39Å
43	N	92.6	Very high	93	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	123.9	174.2	-167.8	-43.7	0	0	0	110	I25 S26 K45 A48 F52 G83 S84 Y153	I25-N43 PolarHBondContact O-ND2 3.15Å; S26-N43 PolarHBondContact OG-ND2 3.39Å; S26-N43 VanDerWaalsContact OG-ND2 3.16Å; N43-K45 VanDerWaalsContact C-N 3.3Å; N43-K45 PolarHBondContact O-N 3.06Å; N43-K45 WeakPolarHBondContact OD1-CB 3.46Å; N43-K45 PolarHBondContact OD1-N 3.41Å; N43-A48 HydrophobicContact CB-CB 3.52Å; N43-F52 HydrophobicContact CB-CE2 3.8Å; N43-F52 HydrophobicContact CB-CZ 3.85Å; N43-G83 CarbonylContact O-C 3.51Å; N43-G83 WeakPolarHBondContact O-CA 3.43Å; N43-S84 PolarHBondContact N-O 3.19Å; N43-S84 PolarHBondContact O-N 3.5Å; N43-Y153 PolarHBondContact ND2-OH 3.28Å
44	P	91.3	Very high	93.1	Very high	104 Å²	104	60.4 Å²	60.4	68%	0.675	30%	0.299	S	S	*	.			trans	-77	-12.5	-175.5	32	-36.5	0	0	0	113.8
45	K	89.4	Confident	93.3	Very high	99 Å²	99	56.8 Å²	56.8	43%	0.43	28%	0.279	S	S	.	.	S	Bend	trans	-70.3	143.8	-179	-65.1	-172.1	-178.8	-178.5	0	111.2	N43 E47 A48 Y153	N43-K45 VanDerWaalsContact C-N 3.3Å; N43-K45 PolarHBondContact O-N 3.06Å; N43-K45 WeakPolarHBondContact OD1-CB 3.46Å; N43-K45 PolarHBondContact OD1-N 3.41Å; K45-E47 VanDerWaalsContact C-N 3.27Å; K45-E47 PolarHBondContact O-N 3.38Å; K45-A48 VanDerWaalsContact O-CB 3.24Å; K45-A48 WeakPolarHBondContact O-CB 3.45Å; K45-A48 PolarHBondContact O-N 3.05Å; K45-Y153 HydrophobicContact CD-CD1 4.48Å; K45-Y153 HydrophobicContact CD-CE1 3.79Å
46	A	84.6	Confident	93.6	Very high	84 Å²	84	50.5 Å²	50.5	69%	0.694	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.7	-179.5	0	0	0	0	0	112.2	A48	A46-A48 PolarHBondContact O-N 3.28Å
47	E	84.5	Confident	93.9	Very high	136 Å²	136	50 Å²	50	64%	0.636	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-14.3	-179.2	-55.3	78.8	-173	0	0	112.7	K45 R49 R50	K45-E47 VanDerWaalsContact C-N 3.27Å; K45-E47 PolarHBondContact O-N 3.38Å; E47-R49 PolarHBondContact O-N 3.31Å; E47-R50 PolarHBondContact O-N 3.25Å
48	A	89.6	Confident	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-23.2	-176.6	0	0	0	0	0	113.4	N43 K45 A46 R50 M51 F52	N43-A48 HydrophobicContact CB-CB 3.52Å; K45-A48 VanDerWaalsContact O-CB 3.24Å; K45-A48 WeakPolarHBondContact O-CB 3.45Å; K45-A48 PolarHBondContact O-N 3.05Å; A46-A48 PolarHBondContact O-N 3.28Å; A48-R50 PolarHBondContact O-N 3.05Å; A48-M51 HydrophobicContact CB-CE 4.2Å; A48-M51 WeakPolarHBondContact O-CB 3.1Å; A48-M51 PolarHBondContact O-N 3.49Å; A48-F52 HydrophobicContact CB-CD2 4.5Å; A48-F52 HydrophobicContact CB-CE2 4.34Å; A48-F52 WeakPolarHBondContact O-CD2 3.42Å; A48-F52 PolarHBondContact O-N 2.71Å
49	R	93.5	Very high	94.2	Very high	93 Å²	93	45.3 Å²	45.3	35%	0.351	23%	0.231	S	C	.	.	H	α-helix	trans	-57.1	-50.6	176.4	-172.1	169.9	175.2	99.7	14.9	111.4	E47 M51 F52 E53 D78 S84	E47-R49 PolarHBondContact O-N 3.31Å; R49-M51 VanDerWaalsContact C-N 3.32Å; R49-M51 PolarHBondContact O-N 3.45Å; R49-F52 PolarHBondContact O-N 2.88Å; R49-E53 HydrophobicContact CG-CG 4.43Å; R49-E53 IonicContact CZ-OE1 2.87Å; R49-E53 VanDerWaalsContact CZ-OE1 3.26Å; R49-E53 IonicContact NE-OE1 3.78Å; R49-E53 PolarHBondContact NE-OE1 3.11Å; R49-E53 IonicContact NH2-OE1 2.84Å; R49-E53 PolarHBondContact NH2-OE1 3.48Å; R49-E53 WeakPolarHBondContact O-CB 3.41Å; R49-E53 WeakPolarHBondContact O-CG 3.41Å; R49-E53 PolarHBondContact O-N 2.98Å; R49-D78 IonicContact NH1-OD1 3.81Å; R49-D78 PolarHBondContact NH1-OD1 2.82Å; R49-D78 IonicContact NH1-OD2 2.88Å; R49-S84 VanDerWaalsContact CA-OG 3.3Å; R49-S84 WeakPolarHBondContact CA-OG 3.33Å; R49-S84 VanDerWaalsContact CB-OG 3.26Å; R49-S84 WeakPolarHBondContact CB-OG 3.31Å; R49-S84 PolarHBondContact N-OG 2.86Å
50	R	94.1	Very high	94.3	Very high	145 Å²	145	45.5 Å²	45.5	55%	0.547	24%	0.236	S	C	.	.	H	α-helix	trans	-62	-41.9	179.6	-174.1	-178.9	-61.8	-177.4	0.6	111.3	E47 A48 E53 G54 V148	E47-R50 PolarHBondContact O-N 3.25Å; A48-R50 PolarHBondContact O-N 3.05Å; R50-E53 PolarHBondContact O-N 2.78Å; R50-G54 PolarHBondContact O-N 3.44Å; R50-V148 HydrophobicContact CG-CB 4.26Å; R50-V148 HydrophobicContact CG-CG1 4.23Å
51	M	94.6	Very high	94.4	Very high	19 Å²	19	46.2 Å²	46.2	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-48.5	176.1	-179	-172.3	68.8	0	0	111.4	I25 A48 R49 G54 E55 C150 Y153	I25-M51 HydrophobicContact CG2-CE 4.17Å; I25-M51 HydrophobicContact CG2-SD 3.91Å; A48-M51 HydrophobicContact CB-CE 4.2Å; A48-M51 WeakPolarHBondContact O-CB 3.1Å; A48-M51 PolarHBondContact O-N 3.49Å; R49-M51 VanDerWaalsContact C-N 3.32Å; R49-M51 PolarHBondContact O-N 3.45Å; M51-G54 PolarHBondContact O-N 3.32Å; M51-E55 WeakPolarHBondContact O-CB 3.39Å; M51-E55 PolarHBondContact O-N 2.69Å; M51-C150 HydrophobicContact CB-CB 4.4Å; M51-C150 HydrophobicContact CG-CB 4.1Å; M51-Y153 HydrophobicContact SD-CD1 4.29Å; M51-Y153 HydrophobicContact SD-CE1 4.42Å
52	F	96.3	Very high	94.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.7	-33.4	179.5	-73	-35.8	0	0	0	113.7	K41 N43 A48 R49 E55 M56 V76 S84 L86	K41-F52 HydrophobicContact CB-CE1 3.72Å; K41-F52 HydrophobicContact CB-CZ 3.75Å; K41-F52 HydrophobicContact CD-CE1 4.01Å; N43-F52 HydrophobicContact CB-CE2 3.8Å; N43-F52 HydrophobicContact CB-CZ 3.85Å; A48-F52 HydrophobicContact CB-CD2 4.5Å; A48-F52 HydrophobicContact CB-CE2 4.34Å; A48-F52 WeakPolarHBondContact O-CD2 3.42Å; A48-F52 PolarHBondContact O-N 2.71Å; R49-F52 PolarHBondContact O-N 2.88Å; F52-E55 PolarHBondContact O-N 3.03Å; F52-M56 VanDerWaalsContact O-CB 3.26Å; F52-M56 WeakPolarHBondContact O-CB 3.38Å; F52-M56 PolarHBondContact O-N 3.01Å; F52-V76 HydrophobicContact CB-CG1 4.1Å; F52-V76 HydrophobicContact CB-CG2 3.95Å; F52-V76 WeakPolarHBondContact O-CG2 3.38Å; F52-S84 WeakPolarHBondContact CE2-O 3.34Å; F52-L86 HydrophobicContact CB-CB 3.98Å; F52-L86 HydrophobicContact CD1-CB 3.55Å; F52-L86 HydrophobicContact CD1-CD2 3.95Å; F52-L86 HydrophobicContact CD1-CG 4.41Å; F52-L86 HydrophobicContact CD2-CB 4.24Å; F52-L86 HydrophobicContact CE1-CB 4.06Å; F52-L86 HydrophobicContact CG-CB 3.67Å
53	E	96.8	Very high	94.8	Very high	81 Å²	81	46.4 Å²	46.4	38%	0.379	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-43	172	-74.4	171.8	168.6	0	0	110.9	R49 R50 M56 A57 V76	R49-E53 HydrophobicContact CG-CG 4.43Å; R49-E53 IonicContact CZ-OE1 2.87Å; R49-E53 VanDerWaalsContact CZ-OE1 3.26Å; R49-E53 IonicContact NE-OE1 3.78Å; R49-E53 PolarHBondContact NE-OE1 3.11Å; R49-E53 IonicContact NH2-OE1 2.84Å; R49-E53 PolarHBondContact NH2-OE1 3.48Å; R49-E53 WeakPolarHBondContact O-CB 3.41Å; R49-E53 WeakPolarHBondContact O-CG 3.41Å; R49-E53 PolarHBondContact O-N 2.98Å; R50-E53 PolarHBondContact O-N 2.78Å; E53-M56 PolarHBondContact O-N 2.99Å; E53-A57 WeakPolarHBondContact O-CB 3.35Å; E53-A57 PolarHBondContact O-N 3.26Å; E53-V76 HydrophobicContact CG-CB 4.42Å; E53-V76 HydrophobicContact CG-CG1 4.24Å; E53-V76 HydrophobicContact CG-CG2 4.34Å
54	G	97.8	Very high	95	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-44.5	173.6	0	0	0	0	0	113.1	R50 M51 A57 S58 V148	R50-G54 PolarHBondContact O-N 3.44Å; M51-G54 PolarHBondContact O-N 3.32Å; G54-A57 PolarHBondContact O-N 3.33Å; G54-S58 VanDerWaalsContact O-CB 3.29Å; G54-S58 WeakPolarHBondContact O-CB 3.37Å; G54-S58 PolarHBondContact O-N 2.8Å; G54-S58 PolarHBondContact O-OG 3.27Å; G54-V148 WeakPolarHBondContact CA-O 3.35Å
55	E	98	Very high	95.2	Very high	15 Å²	15	48.2 Å²	48.2	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-44.4	176.4	-168.6	-172.9	149.9	0	0	111.3	K41 M51 F52 A57 S58 L59 L86	K41-E55 VanDerWaalsContact NZ-CD 3.28Å; K41-E55 IonicContact NZ-OE1 2.6Å; K41-E55 PolarHBondContact NZ-OE1 3.24Å; K41-E55 IonicContact NZ-OE2 2.99Å; K41-E55 PolarHBondContact NZ-OE2 2.9Å; K41-E55 VanDerWaalsContact NZ-OE2 3.16Å; M51-E55 WeakPolarHBondContact O-CB 3.39Å; M51-E55 PolarHBondContact O-N 2.69Å; F52-E55 PolarHBondContact O-N 3.03Å; E55-A57 PolarHBondContact O-N 3.09Å; E55-S58 WeakPolarHBondContact O-CB 3.33Å; E55-S58 PolarHBondContact O-N 3.38Å; E55-L59 HydrophobicContact CG-CD1 4.21Å; E55-L59 WeakPolarHBondContact O-CB 3.37Å; E55-L59 WeakPolarHBondContact O-CG 3.4Å; E55-L59 PolarHBondContact O-N 3.12Å; E55-L86 HydrophobicContact CB-CD2 4.01Å; E55-L86 HydrophobicContact CG-CD2 3.91Å; E55-L86 WeakPolarHBondContact OE1-CD2 3.43Å
56	M	98.2	Very high	95.6	Very high	53 Å²	53	50.7 Å²	50.7	26%	0.261	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-45.4	176	174.6	165.8	-178	0	0	111.9	F52 E53 S58 T60 P73 V76 L86	F52-M56 VanDerWaalsContact O-CB 3.26Å; F52-M56 WeakPolarHBondContact O-CB 3.38Å; F52-M56 PolarHBondContact O-N 3.01Å; E53-M56 PolarHBondContact O-N 2.99Å; M56-S58 VanDerWaalsContact C-N 3.34Å; M56-T60 VanDerWaalsContact O-CB 3.31Å; M56-T60 WeakPolarHBondContact O-CB 3.22Å; M56-T60 PolarHBondContact O-N 3.26Å; M56-T60 PolarHBondContact O-OG1 3.01Å; M56-P73 HydrophobicContact CG-CB 3.99Å; M56-V76 HydrophobicContact CB-CG2 4.09Å; M56-V76 HydrophobicContact SD-CG2 3.88Å; M56-L86 HydrophobicContact CB-CD1 3.96Å
57	A	98.5	Very high	96.2	Very high	29 Å²	29	47.8 Å²	47.8	24%	0.24	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-41.3	177.1	0	0	0	0	0	111.7	E53 G54 E55 T60 A61 F145 V147	E53-A57 WeakPolarHBondContact O-CB 3.35Å; E53-A57 PolarHBondContact O-N 3.26Å; G54-A57 PolarHBondContact O-N 3.33Å; E55-A57 PolarHBondContact O-N 3.09Å; A57-T60 PolarHBondContact O-N 3.19Å; A57-A61 WeakPolarHBondContact O-CB 3.37Å; A57-A61 PolarHBondContact O-N 3.24Å; A57-F145 HydrophobicContact CB-CE1 4.08Å; A57-V147 HydrophobicContact CB-CG2 3.45Å; A57-V147 VanDerWaalsContact CB-CG2 3.45Å
58	S	98.7	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-51	177.2	-61.5	0	0	0	0	112	G54 E55 M56 T60 A61 I62 T149 P235 S237	G54-S58 VanDerWaalsContact O-CB 3.29Å; G54-S58 WeakPolarHBondContact O-CB 3.37Å; G54-S58 PolarHBondContact O-N 2.8Å; G54-S58 PolarHBondContact O-OG 3.27Å; E55-S58 WeakPolarHBondContact O-CB 3.33Å; E55-S58 PolarHBondContact O-N 3.38Å; M56-S58 VanDerWaalsContact C-N 3.34Å; S58-T60 VanDerWaalsContact C-N 3.29Å; S58-T60 PolarHBondContact O-N 3.1Å; S58-A61 PolarHBondContact O-N 3.23Å; S58-I62 WeakPolarHBondContact O-CG1 3.39Å; S58-I62 PolarHBondContact O-N 2.96Å; S58-T149 WeakPolarHBondContact OG-CG2 3.4Å; S58-P235 VanDerWaalsContact CB-CG 3.41Å; S58-S237 WeakPolarHBondContact CB-OG 3.4Å; S58-S237 WeakPolarHBondContact OG-CB 3.25Å; S58-S237 PolarHBondContact OG-N 3.27Å; S58-S237 VanDerWaalsContact OG-N 3.13Å
59	L	98.6	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-42.3	174.9	-71.1	169.5	0	0	0	111.2	E55 I62 L63 V70 P73 M88 P235	E55-L59 HydrophobicContact CG-CD1 4.21Å; E55-L59 WeakPolarHBondContact O-CB 3.37Å; E55-L59 WeakPolarHBondContact O-CG 3.4Å; E55-L59 PolarHBondContact O-N 3.12Å; L59-I62 PolarHBondContact O-N 3.38Å; L59-L63 WeakPolarHBondContact O-CB 3.45Å; L59-L63 PolarHBondContact O-N 3.05Å; L59-V70 HydrophobicContact CD2-CB 3.8Å; L59-V70 HydrophobicContact CD2-CG1 4.31Å; L59-V70 HydrophobicContact CD2-CG2 4.34Å; L59-P73 HydrophobicContact CB-CB 4.08Å; L59-P73 HydrophobicContact CB-CG 3.75Å; L59-P73 HydrophobicContact CD1-CB 4.16Å; L59-M88 HydrophobicContact CD1-CE 4.21Å; L59-P235 HydrophobicContact CD2-CG 3.83Å; L59-P235 HydrophobicContact CG-CG 3.81Å
60	T	98.4	Very high	97.4	Very high	43 Å²	43	40.7 Å²	40.7	26%	0.264	20%	0.2	S	C	.	.	H	α-helix	trans	-63.3	-43.4	177.6	-59.3	0	0	0	0	111.4	M56 A57 S58 L63 K64 P73	M56-T60 VanDerWaalsContact O-CB 3.31Å; M56-T60 WeakPolarHBondContact O-CB 3.22Å; M56-T60 PolarHBondContact O-N 3.26Å; M56-T60 PolarHBondContact O-OG1 3.01Å; A57-T60 PolarHBondContact O-N 3.19Å; S58-T60 VanDerWaalsContact C-N 3.29Å; S58-T60 PolarHBondContact O-N 3.1Å; T60-L63 PolarHBondContact O-N 3Å; T60-K64 HydrophobicContact CG2-CD 4.32Å; T60-K64 WeakPolarHBondContact O-CG 3.19Å; T60-K64 PolarHBondContact O-N 3.38Å; T60-K64 VanDerWaalsContact O-N 3.13Å; T60-P73 VanDerWaalsContact OG1-CG 3.28Å; T60-P73 WeakPolarHBondContact OG1-CG 3.4Å
61	A	98.2	Very high	97.6	Very high	14 Å²	14	34 Å²	34	12%	0.116	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-45	178.3	0	0	0	0	0	111.3	A57 S58 T65 R137 F145 L213	A57-A61 WeakPolarHBondContact O-CB 3.37Å; A57-A61 PolarHBondContact O-N 3.24Å; S58-A61 PolarHBondContact O-N 3.23Å; A61-T65 WeakPolarHBondContact O-CG2 3.28Å; A61-R137 PolarHBondContact O-NH1 3.37Å; A61-F145 HydrophobicContact CB-CE2 4.14Å; A61-F145 HydrophobicContact CB-CZ 3.88Å; A61-L213 HydrophobicContact CB-CD1 4.28Å; A61-L213 HydrophobicContact CB-CD2 3.97Å
62	I	98.6	Very high	97.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-45.1	177.9	-62.3	167.2	0	0	0	110.4	S58 L59 K64 T65 V68 V70 L110 L213 I232 P235	S58-I62 WeakPolarHBondContact O-CG1 3.39Å; S58-I62 PolarHBondContact O-N 2.96Å; L59-I62 PolarHBondContact O-N 3.38Å; I62-K64 VanDerWaalsContact C-N 3.29Å; I62-K64 PolarHBondContact O-N 2.64Å; I62-T65 VanDerWaalsContact O-CB 3.3Å; I62-T65 WeakPolarHBondContact O-CB 3.37Å; I62-T65 WeakPolarHBondContact O-CG2 3.18Å; I62-T65 PolarHBondContact O-N 3.01Å; I62-T65 PolarHBondContact O-OG1 3.22Å; I62-V68 HydrophobicContact CG2-CG1 3.69Å; I62-V70 HydrophobicContact CB-CG1 3.98Å; I62-V70 HydrophobicContact CD1-CG1 4.37Å; I62-V70 HydrophobicContact CG2-CG1 3.47Å; I62-V70 VanDerWaalsContact CG2-CG1 3.47Å; I62-V70 HydrophobicContact CG2-CG2 4.44Å; I62-L110 HydrophobicContact CG2-CD1 4.29Å; I62-L110 HydrophobicContact CG2-CD2 4.37Å; I62-L213 HydrophobicContact CG1-CD2 4.24Å; I62-I232 HydrophobicContact CD1-CD1 4.4Å; I62-I232 HydrophobicContact CG2-CD1 4.42Å; I62-P235 HydrophobicContact CD1-CB 3.91Å; I62-P235 HydrophobicContact CD1-CG 4.31Å
63	L	97.8	Very high	97.8	Very high	58 Å²	58	39.7 Å²	39.7	30%	0.304	20%	0.202	S	C	.	.	H	α-helix	trans	-55.8	-42.7	-179.7	-178.2	66.8	0	0	0	112.2	L59 T60 T65 N66 V70 K72	L59-L63 WeakPolarHBondContact O-CB 3.45Å; L59-L63 PolarHBondContact O-N 3.05Å; T60-L63 PolarHBondContact O-N 3Å; L63-T65 PolarHBondContact O-N 3.33Å; L63-T65 VanDerWaalsContact O-N 3.1Å; L63-N66 PolarHBondContact O-N 2.94Å; L63-V70 HydrophobicContact CB-CG2 3.81Å; L63-V70 HydrophobicContact CD1-CG2 4.21Å; L63-K72 HydrophobicContact CD1-CG 4.05Å; L63-K72 HydrophobicContact CD2-CB 4.35Å; L63-K72 HydrophobicContact CD2-CG 3.87Å
64	K	96.9	Very high	97.8	Very high	130 Å²	130	39.3 Å²	39.3	57%	0.565	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.2	179.1	-75.5	176.8	178.8	-176.8	0	114	T60 I62 R137	T60-K64 HydrophobicContact CG2-CD 4.32Å; T60-K64 WeakPolarHBondContact O-CG 3.19Å; T60-K64 PolarHBondContact O-N 3.38Å; T60-K64 VanDerWaalsContact O-N 3.13Å; I62-K64 VanDerWaalsContact C-N 3.29Å; I62-K64 PolarHBondContact O-N 2.64Å; K64-R137 VanDerWaalsContact C-CZ 3.47Å; K64-R137 VanDerWaalsContact C-NH2 3.31Å; K64-R137 PolarHBondContact O-NH2 3.19Å
65	T	96.9	Very high	97.7	Very high	13 Å²	13	43 Å²	43	8%	0.08	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.7	177.9	72.2	0	0	0	0	113	A61 I62 L63 T67 L110 E113 R137 L213	A61-T65 WeakPolarHBondContact O-CG2 3.28Å; I62-T65 VanDerWaalsContact O-CB 3.3Å; I62-T65 WeakPolarHBondContact O-CB 3.37Å; I62-T65 WeakPolarHBondContact O-CG2 3.18Å; I62-T65 PolarHBondContact O-N 3.01Å; I62-T65 PolarHBondContact O-OG1 3.22Å; L63-T65 PolarHBondContact O-N 3.33Å; L63-T65 VanDerWaalsContact O-N 3.1Å; T65-T67 PolarHBondContact O-N 3.27Å; T65-T67 PolarHBondContact OG1-N 2.91Å; T65-T67 PolarHBondContact OG1-OG1 3.43Å; T65-L110 HydrophobicContact CG2-CD1 3.51Å; T65-E113 HydrophobicContact CG2-CG 4.47Å; T65-R137 VanDerWaalsContact N-NH2 3.11Å; T65-L213 HydrophobicContact CG2-CD2 3.83Å
66	N	96.4	Very high	97.7	Very high	150 Å²	150	43.1 Å²	43.1	80%	0.802	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	30.6	-171.1	-57.9	-59.7	0	0	0	113.5	L63	L63-N66 PolarHBondContact O-N 2.94Å
67	T	97.8	Very high	97.6	Very high	24 Å²	24	41.1 Å²	41.1	15%	0.147	21%	0.209	C	C	.	.	S	Bend	trans	-99	-56.7	-177.5	57	0	0	0	0	113	T65 Q106 D109 L110	T65-T67 PolarHBondContact O-N 3.27Å; T65-T67 PolarHBondContact OG1-N 2.91Å; T65-T67 PolarHBondContact OG1-OG1 3.43Å; T67-Q106 WeakPolarHBondContact O-CG 3.36Å; T67-Q106 PolarHBondContact O-NE2 3.19Å; T67-D109 HydrophobicContact CG2-CB 4.01Å; T67-L110 WeakPolarHBondContact OG1-CB 3.47Å
68	V	97.6	Very high	97.4	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.048	22%	0.224	C	C	.	.	S	Bend	trans	-124.9	146.6	-179.2	63.2	0	0	0	0	109.8	I62 L103 Q106 L110 I232	I62-V68 HydrophobicContact CG2-CG1 3.69Å; V68-L103 HydrophobicContact CG2-CD1 4.11Å; V68-Q106 HydrophobicContact CB-CB 4.05Å; V68-Q106 HydrophobicContact CG2-CB 4.3Å; V68-L110 HydrophobicContact CG1-CD2 4.16Å; V68-I232 HydrophobicContact CB-CD1 4.44Å; V68-I232 HydrophobicContact CG1-CD1 3.49Å; V68-I232 VanDerWaalsContact CG1-CD1 3.49Å; V68-I232 HydrophobicContact CG1-CG1 4.17Å; V68-I232 HydrophobicContact CG2-CD1 4.1Å; V68-I232 HydrophobicContact CG2-CG1 4.23Å; V68-I232 HydrophobicContact CG2-CG2 4.06Å
69	R	97.7	Very high	97.1	Very high	70 Å²	70	45.2 Å²	45.2	26%	0.264	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-75.8	135.2	-179.4	-175.6	169.4	177.2	-163.1	-2.3	110.7	E89 D226 S228 V231 I232	R69-E89 IonicContact CZ-OE1 3.66Å; R69-E89 IonicContact NH2-OE1 3.03Å; R69-E89 PolarHBondContact NH2-OE1 3.2Å; R69-D226 IonicContact CZ-OD2 2.69Å; R69-D226 IonicContact NH1-OD1 3.72Å; R69-D226 PolarHBondContact NH1-OD1 2.67Å; R69-D226 IonicContact NH1-OD2 3.33Å; R69-D226 PolarHBondContact NH1-OD2 3.19Å; R69-S228 PolarHBondContact NH1-OG 3.15Å; R69-S228 VanDerWaalsContact NH1-OG 3.07Å; R69-V231 HydrophobicContact CB-CG2 4.3Å; R69-V231 HydrophobicContact CG-CG1 4.42Å; R69-V231 HydrophobicContact CG-CG2 4.12Å; R69-V231 WeakPolarHBondContact O-CA 3.29Å; R69-I232 PolarHBondContact O-N 3.44Å
70	V	98.1	Very high	96.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	25%	0.253	C	S	.	.			trans	-129.6	154.5	168.5	-63.7	0	0	0	0	109.3	L59 I62 L63 K72 I232	L59-V70 HydrophobicContact CD2-CB 3.8Å; L59-V70 HydrophobicContact CD2-CG1 4.31Å; L59-V70 HydrophobicContact CD2-CG2 4.34Å; I62-V70 HydrophobicContact CB-CG1 3.98Å; I62-V70 HydrophobicContact CD1-CG1 4.37Å; I62-V70 HydrophobicContact CG2-CG1 3.47Å; I62-V70 VanDerWaalsContact CG2-CG1 3.47Å; I62-V70 HydrophobicContact CG2-CG2 4.44Å; L63-V70 HydrophobicContact CB-CG2 3.81Å; L63-V70 HydrophobicContact CD1-CG2 4.21Å; V70-K72 PolarHBondContact O-N 3.25Å; V70-I232 WeakPolarHBondContact CA-O 3.3Å; V70-I232 HydrophobicContact CG1-CD1 4.31Å; V70-I232 HydrophobicContact CG1-CG1 3.59Å
71	P	97.3	Very high	95.8	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.019	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-57.1	127.1	167.6	-22.5	33.3	0	0	0	110.1	P73 M88 V91 M93 I232 F233	P71-P73 VanDerWaalsContact O-CD 3.29Å; P71-P73 WeakPolarHBondContact O-CD 3.35Å; P71-M88 HydrophobicContact CB-CB 4.37Å; P71-M88 HydrophobicContact CB-CG 4.21Å; P71-M88 HydrophobicContact CB-SD 3.81Å; P71-M88 HydrophobicContact CG-SD 4.29Å; P71-V91 HydrophobicContact CB-CG2 4.27Å; P71-V91 HydrophobicContact CG-CG2 4.23Å; P71-M93 HydrophobicContact CG-CE 3.85Å; P71-I232 WeakPolarHBondContact CD-O 3.34Å; P71-F233 HydrophobicContact CG-CB 4.11Å
72	K	97.7	Very high	95.3	Very high	119 Å²	119	52.8 Å²	52.8	52%	0.517	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-64.2	117.7	177.9	-67.8	170.1	-173.8	176.4	0	109.9	L63 V70 M88 E89	L63-K72 HydrophobicContact CD1-CG 4.05Å; L63-K72 HydrophobicContact CD2-CB 4.35Å; L63-K72 HydrophobicContact CD2-CG 3.87Å; V70-K72 PolarHBondContact O-N 3.25Å; K72-M88 CarbonylContact O-C 3.56Å; K72-M88 VanDerWaalsContact O-CA 3.29Å; K72-M88 WeakPolarHBondContact O-CA 3.33Å; K72-M88 WeakPolarHBondContact O-CB 3.32Å; K72-E89 HydrophobicContact CB-CB 4.03Å; K72-E89 WeakPolarHBondContact CD-OE2 3.08Å; K72-E89 WeakPolarHBondContact CG-OE2 3.49Å; K72-E89 PolarHBondContact N-OE2 3.31Å; K72-E89 PolarHBondContact O-N 3.26Å
73	P	97.7	Very high	95	Very high	21 Å²	21	53.7 Å²	53.7	14%	0.136	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142.7	177.6	30.9	-33.3	0	0	0	109.7	M56 L59 T60 P71	M56-P73 HydrophobicContact CG-CB 3.99Å; L59-P73 HydrophobicContact CB-CB 4.08Å; L59-P73 HydrophobicContact CB-CG 3.75Å; L59-P73 HydrophobicContact CD1-CB 4.16Å; T60-P73 VanDerWaalsContact OG1-CG 3.28Å; T60-P73 WeakPolarHBondContact OG1-CG 3.4Å; P71-P73 VanDerWaalsContact O-CD 3.29Å; P71-P73 WeakPolarHBondContact O-CD 3.35Å
74	I	97.2	Very high	94.9	Very high	73 Å²	73	51.1 Å²	51.1	37%	0.374	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-59.1	-178.4	-60.9	169.2	0	0	0	110.1	L9 V38 V87	L9-I74 HydrophobicContact CD2-CG2 3.71Å; V38-I74 HydrophobicContact CG1-CD1 3.8Å; I74-V87 WeakPolarHBondContact CA-O 3.35Å; I74-V87 HydrophobicContact CB-CB 4.4Å; I74-V87 HydrophobicContact CB-CG1 4.3Å; I74-V87 WeakPolarHBondContact CB-O 3.39Å; I74-V87 HydrophobicContact CD1-CG1 4.18Å; I74-V87 PolarHBondContact N-O 3.3Å
75	K	96.4	Very high	94.8	Very high	78 Å²	78	44.9 Å²	44.9	34%	0.339	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	150	-174.4	-159	166	177.6	-169.9	0	113.1	E8 L77 V87	E8-K75 IonicContact OE2-NZ 3.68Å; E8-K75 PolarHBondContact OE2-NZ 3.38Å; K75-L77 HydrophobicContact CD-CD2 3.66Å; K75-L77 HydrophobicContact CD-CG 4.41Å; K75-L77 HydrophobicContact CG-CD2 3.88Å; K75-L77 HydrophobicContact CG-CG 4.24Å; K75-V87 PolarHBondContact N-O 2.83Å; K75-V87 PolarHBondContact O-N 3.05Å
76	V	97.2	Very high	94.8	Very high	18 Å²	18	44.3 Å²	44.3	11%	0.109	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.4	163.2	179.2	0	0	0	0	109.8	F52 E53 M56 V85 L86	F52-V76 HydrophobicContact CB-CG1 4.1Å; F52-V76 HydrophobicContact CB-CG2 3.95Å; F52-V76 WeakPolarHBondContact O-CG2 3.38Å; E53-V76 HydrophobicContact CG-CB 4.42Å; E53-V76 HydrophobicContact CG-CG1 4.24Å; E53-V76 HydrophobicContact CG-CG2 4.34Å; M56-V76 HydrophobicContact CB-CG2 4.09Å; M56-V76 HydrophobicContact SD-CG2 3.88Å; V76-V85 CarbonylContact C-O 3.52Å; V76-V85 VanDerWaalsContact CA-O 3.25Å; V76-V85 WeakPolarHBondContact CA-O 3.49Å; V76-L86 HydrophobicContact CG2-CD1 3.8Å
77	L	96.2	Very high	94.9	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.058	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.7	-175.6	-59.8	170.8	0	0	0	110.9	L4 E8 K75 S84 V85 V87	L4-L77 HydrophobicContact CD2-CB 4.48Å; L4-L77 HydrophobicContact CD2-CD1 4.39Å; L4-L77 HydrophobicContact CG-CD1 4.31Å; E8-L77 HydrophobicContact CB-CD1 3.83Å; E8-L77 HydrophobicContact CB-CD2 4.06Å; E8-L77 HydrophobicContact CG-CD1 3.85Å; E8-L77 HydrophobicContact CG-CD2 3.72Å; E8-L77 HydrophobicContact CG-CG 4.43Å; K75-L77 HydrophobicContact CD-CD2 3.66Å; K75-L77 HydrophobicContact CD-CG 4.41Å; K75-L77 HydrophobicContact CG-CD2 3.88Å; K75-L77 HydrophobicContact CG-CG 4.24Å; L77-S84 CarbonylContact O-C 3.58Å; L77-S84 WeakPolarHBondContact O-CA 3.49Å; L77-V85 HydrophobicContact CB-CB 4.23Å; L77-V85 PolarHBondContact N-O 3.33Å; L77-V85 PolarHBondContact O-N 3.07Å; L77-V87 HydrophobicContact CD1-CG2 4.05Å
78	D	94.9	Very high	94.9	Very high	103 Å²	103	36.2 Å²	36.2	55%	0.551	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	133.8	168.4	-57	-46.1	0	0	0	109.9	L4 R49	L4-D78 WeakPolarHBondContact CD2-O 3.33Å; R49-D78 IonicContact NH1-OD1 3.81Å; R49-D78 PolarHBondContact NH1-OD1 2.82Å; R49-D78 IonicContact NH1-OD2 2.88Å
79	A	91.7	Very high	94.8	Very high	11 Å²	11	38 Å²	38	9%	0.091	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-75	143.6	-177.1	0	0	0	0	0	111.4	V42 G81 G82 G83 V85	V42-A79 HydrophobicContact CG1-CB 4.26Å; A79-G81 PolarHBondContact O-N 3.47Å; A79-G81 VanDerWaalsContact O-N 3.14Å; A79-G82 WeakPolarHBondContact CB-O 3.25Å; A79-G82 PolarHBondContact O-N 2.96Å; A79-G82 VanDerWaalsContact O-N 3.08Å; A79-G83 PolarHBondContact N-O 3.3Å; A79-V85 HydrophobicContact CB-CG2 3.59Å
80	P	86.1	Confident	94.7	Very high	78 Å²	78	36.1 Å²	36.1	51%	0.506	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	117.9	170.1	-17.7	31.9	0	0	0	109.5	L4	L4-P80 HydrophobicContact CB-CG 4.27Å; L4-P80 HydrophobicContact CD2-CG 3.89Å
81	G	83.3	Confident	94.5	Very high	93 Å²	93	36.6 Å²	36.6	96%	0.959	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.7	6.5	-176.6	0	0	0	0	0	115.3	A79	A79-G81 PolarHBondContact O-N 3.47Å; A79-G81 VanDerWaalsContact O-N 3.14Å
82	G	88	Confident	94.2	Very high	45 Å²	45	41.9 Å²	41.9	46%	0.464	26%	0.257	S	S	.	.	S	Bend	trans	103.1	152.8	176	0	0	0	0	0	113.6	A79	A79-G82 WeakPolarHBondContact CB-O 3.25Å; A79-G82 PolarHBondContact O-N 2.96Å; A79-G82 VanDerWaalsContact O-N 3.08Å
83	G	92.1	Very high	94	Very high	19 Å²	19	39.8 Å²	39.8	20%	0.196	25%	0.25	C	C	.	.	S	Bend	trans	91	-158.9	-172	0	0	0	0	0	112.8	N43 A79	N43-G83 CarbonylContact O-C 3.51Å; N43-G83 WeakPolarHBondContact O-CA 3.43Å; A79-G83 PolarHBondContact N-O 3.3Å
84	S	95.4	Very high	93.8	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.028	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	162.6	-171.9	-57.5	0	0	0	0	113.1	N43 R49 F52 L77	N43-S84 PolarHBondContact N-O 3.19Å; N43-S84 PolarHBondContact O-N 3.5Å; R49-S84 VanDerWaalsContact CA-OG 3.3Å; R49-S84 WeakPolarHBondContact CA-OG 3.33Å; R49-S84 VanDerWaalsContact CB-OG 3.26Å; R49-S84 WeakPolarHBondContact CB-OG 3.31Å; R49-S84 PolarHBondContact N-OG 2.86Å; F52-S84 WeakPolarHBondContact CE2-O 3.34Å; L77-S84 CarbonylContact O-C 3.58Å; L77-S84 WeakPolarHBondContact O-CA 3.49Å
85	V	95.9	Very high	93.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135	-176.7	-177.3	0	0	0	0	109.6	M1 V40 K41 V42 V76 L77 A79 V87	M1-V85 HydrophobicContact CE-CG1 4.44Å; M1-V85 HydrophobicContact CE-CG2 3.71Å; M1-V85 HydrophobicContact SD-CG1 4.5Å; M1-V85 HydrophobicContact SD-CG2 4.43Å; V40-V85 HydrophobicContact CG1-CG1 3.27Å; K41-V85 CarbonylContact O-C 3.54Å; K41-V85 WeakPolarHBondContact O-CA 3.46Å; K41-V85 WeakPolarHBondContact O-CG1 3.42Å; V42-V85 HydrophobicContact CG1-CG2 4.47Å; V42-V85 HydrophobicContact CG2-CG2 4.39Å; V76-V85 CarbonylContact C-O 3.52Å; V76-V85 VanDerWaalsContact CA-O 3.25Å; V76-V85 WeakPolarHBondContact CA-O 3.49Å; L77-V85 HydrophobicContact CB-CB 4.23Å; L77-V85 PolarHBondContact N-O 3.33Å; L77-V85 PolarHBondContact O-N 3.07Å; A79-V85 HydrophobicContact CB-CG2 3.59Å; V85-V87 HydrophobicContact CG1-CG2 4.01Å
86	L	97.1	Very high	93.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.1	165.8	176.1	59.8	0	0	0	109.6	V40 K41 F52 E55 M56 V76 M88	V40-L86 WeakPolarHBondContact CA-O 3.28Å; K41-L86 HydrophobicContact CB-CB 4.34Å; K41-L86 PolarHBondContact N-O 3.38Å; K41-L86 PolarHBondContact O-N 2.57Å; F52-L86 HydrophobicContact CB-CB 3.98Å; F52-L86 HydrophobicContact CD1-CB 3.55Å; F52-L86 HydrophobicContact CD1-CD2 3.95Å; F52-L86 HydrophobicContact CD1-CG 4.41Å; F52-L86 HydrophobicContact CD2-CB 4.24Å; F52-L86 HydrophobicContact CE1-CB 4.06Å; F52-L86 HydrophobicContact CG-CB 3.67Å; E55-L86 HydrophobicContact CB-CD2 4.01Å; E55-L86 HydrophobicContact CG-CD2 3.91Å; E55-L86 WeakPolarHBondContact OE1-CD2 3.43Å; M56-L86 HydrophobicContact CB-CD1 3.96Å; V76-L86 HydrophobicContact CG2-CD1 3.8Å; L86-M88 HydrophobicContact CD2-CE 3.33Å; L86-M88 HydrophobicContact CG-CE 3.53Å
87	V	97.5	Very high	93.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.9	176.8	-171.3	0	0	0	0	109.2	L5 L9 V38 V40 I74 K75 L77 V85	L5-V87 HydrophobicContact CD2-CG1 4.46Å; L5-V87 HydrophobicContact CD2-CG2 3.69Å; L9-V87 HydrophobicContact CD1-CG1 4.26Å; L9-V87 HydrophobicContact CD2-CG1 4.31Å; V38-V87 HydrophobicContact CB-CG1 4.1Å; V38-V87 HydrophobicContact CG1-CG1 4.44Å; V38-V87 HydrophobicContact CG2-CG1 4.31Å; V40-V87 HydrophobicContact CG2-CG1 4.25Å; V40-V87 HydrophobicContact CG2-CG2 4.33Å; I74-V87 WeakPolarHBondContact CA-O 3.35Å; I74-V87 HydrophobicContact CB-CB 4.4Å; I74-V87 HydrophobicContact CB-CG1 4.3Å; I74-V87 WeakPolarHBondContact CB-O 3.39Å; I74-V87 HydrophobicContact CD1-CG1 4.18Å; I74-V87 PolarHBondContact N-O 3.3Å; K75-V87 PolarHBondContact N-O 2.83Å; K75-V87 PolarHBondContact O-N 3.05Å; L77-V87 HydrophobicContact CD1-CG2 4.05Å; V85-V87 HydrophobicContact CG1-CG2 4.01Å
88	M	97.5	Very high	93.1	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.025	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	171.2	-179.8	63.7	-174.8	74.8	0	0	111.6	V38 F39 K41 L59 P71 K72 L86 H90	V38-M88 WeakPolarHBondContact CA-O 3.36Å; F39-M88 HydrophobicContact CB-CG 4.12Å; F39-M88 HydrophobicContact CD1-CG 4.18Å; F39-M88 HydrophobicContact CD1-SD 4.13Å; F39-M88 PolarHBondContact N-O 2.98Å; F39-M88 PolarHBondContact O-N 2.89Å; K41-M88 HydrophobicContact CD-CE 3.99Å; K41-M88 HydrophobicContact CG-CE 4.41Å; L59-M88 HydrophobicContact CD1-CE 4.21Å; P71-M88 HydrophobicContact CB-CB 4.37Å; P71-M88 HydrophobicContact CB-CG 4.21Å; P71-M88 HydrophobicContact CB-SD 3.81Å; P71-M88 HydrophobicContact CG-SD 4.29Å; K72-M88 CarbonylContact O-C 3.56Å; K72-M88 VanDerWaalsContact O-CA 3.29Å; K72-M88 WeakPolarHBondContact O-CA 3.33Å; K72-M88 WeakPolarHBondContact O-CB 3.32Å; L86-M88 HydrophobicContact CD2-CE 3.33Å; L86-M88 HydrophobicContact CG-CE 3.53Å; M88-H90 PolarHBondContact O-N 3.47Å
89	E	95.9	Very high	93.2	Very high	44 Å²	44	49.3 Å²	49.3	21%	0.206	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	132.8	168.3	177.7	-174.9	166.4	0	0	110.8	R69 K72 V91	R69-E89 IonicContact CZ-OE1 3.66Å; R69-E89 IonicContact NH2-OE1 3.03Å; R69-E89 PolarHBondContact NH2-OE1 3.2Å; K72-E89 HydrophobicContact CB-CB 4.03Å; K72-E89 WeakPolarHBondContact CD-OE2 3.08Å; K72-E89 WeakPolarHBondContact CG-OE2 3.49Å; K72-E89 PolarHBondContact N-OE2 3.31Å; K72-E89 PolarHBondContact O-N 3.26Å; E89-V91 HydrophobicContact CG-CG2 4.1Å
90	H	95.1	Very high	93.4	Very high	32 Å²	32	49 Å²	49	15%	0.148	30%	0.297	C	S	.	.			trans	-78.8	127.1	164.7	176.3	94.4	0	0	0	109.5	S30 R37 F39 M88 D92	S30-H90 WeakPolarHBondContact CB-ND1 3.34Å; S30-H90 PolarHBondContact OG-CE1 2.89Å; S30-H90 VanDerWaalsContact OG-CE1 3.26Å; S30-H90 PolarHBondContact OG-ND1 3.4Å; R37-H90 HydrophobicContact CB-CB 4Å; R37-H90 WeakPolarHBondContact CD-CD2 3.3Å; R37-H90 HydrophobicContact CG-CB 3.58Å; R37-H90 WeakPolarHBondContact O-CB 3.47Å; R37-H90 PolarHBondContact O-N 3.05Å; F39-H90 HydrophobicContact CB-CB 4.26Å; M88-H90 PolarHBondContact O-N 3.47Å; H90-D92 IonicContact CD2-OD1 3.7Å; H90-D92 PolarHBondContact CD2-OD1 2.82Å; H90-D92 IonicContact CE1-OD1 3.01Å; H90-D92 IonicContact NE2-OD1 3.5Å; H90-D92 PolarHBondContact NE2-OD1 3.09Å
91	V	93.9	Very high	94	Very high	12 Å²	12	47.4 Å²	47.4	7%	0.073	29%	0.29	C	S	.	.			trans	-114.4	129.9	175	-176.2	0	0	0	0	108.7	P71 E89 M93 D226 V231	P71-V91 HydrophobicContact CB-CG2 4.27Å; P71-V91 HydrophobicContact CG-CG2 4.23Å; E89-V91 HydrophobicContact CG-CG2 4.1Å; V91-M93 VanDerWaalsContact C-N 3.29Å; V91-M93 HydrophobicContact CB-CE 3.78Å; V91-M93 HydrophobicContact CB-CG 4.01Å; V91-M93 HydrophobicContact CG1-CE 4.3Å; V91-M93 HydrophobicContact CG1-CG 3.85Å; V91-M93 HydrophobicContact CG2-CE 4.27Å; V91-M93 PolarHBondContact O-N 3.29Å; V91-D226 HydrophobicContact CG1-CB 4.36Å; V91-V231 HydrophobicContact CG1-CG1 4.47Å; V91-V231 HydrophobicContact CG1-CG2 4.16Å
92	D	91.9	Very high	94.8	Very high	114 Å²	114	47.3 Å²	47.3	61%	0.61	26%	0.263	S	S	*	.			trans	-77.3	83.9	174.9	-67.2	-46.5	0	0	0	109.9	H90 D226	H90-D92 IonicContact CD2-OD1 3.7Å; H90-D92 PolarHBondContact CD2-OD1 2.82Å; H90-D92 IonicContact CE1-OD1 3.01Å; H90-D92 IonicContact NE2-OD1 3.5Å; H90-D92 PolarHBondContact NE2-OD1 3.09Å; D92-D226 WeakPolarHBondContact O-CB 3.28Å
93	M	92.8	Very high	95.3	Very high	75 Å²	75	45.2 Å²	45.2	37%	0.369	24%	0.241	S	C	.	.			trans	-84.7	141.7	-174.3	-66.9	-178	-167.8	0	0	112.2	P71 V91 A224 V231 F233	P71-M93 HydrophobicContact CG-CE 3.85Å; V91-M93 VanDerWaalsContact C-N 3.29Å; V91-M93 HydrophobicContact CB-CE 3.78Å; V91-M93 HydrophobicContact CB-CG 4.01Å; V91-M93 HydrophobicContact CG1-CE 4.3Å; V91-M93 HydrophobicContact CG1-CG 3.85Å; V91-M93 HydrophobicContact CG2-CE 4.27Å; V91-M93 PolarHBondContact O-N 3.29Å; M93-A224 HydrophobicContact CB-CB 3.72Å; M93-A224 HydrophobicContact CG-CB 3.81Å; M93-A224 HydrophobicContact SD-CB 3.79Å; M93-V231 HydrophobicContact CE-CG1 3.94Å; M93-F233 HydrophobicContact CE-CB 4.4Å; M93-F233 HydrophobicContact CE-CD1 3.78Å; M93-F233 HydrophobicContact CE-CE1 4.33Å; M93-F233 HydrophobicContact CE-CG 4.19Å; M93-F233 HydrophobicContact SD-CD1 3.72Å; M93-F233 HydrophobicContact SD-CE1 3.65Å; M93-F233 HydrophobicContact SD-CG 4.45Å; M93-F233 HydrophobicContact SD-CZ 4.32Å
94	R	93.4	Very high	95.6	Very high	138 Å²	138	44.3 Å²	44.3	52%	0.521	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-124.7	165.8	161	61.7	179.4	175.1	-162.8	-8.6	109.4	L96 A224 E225 D226	R94-L96 PolarHBondContact O-N 3.5Å; R94-A224 WeakPolarHBondContact O-CA 3.44Å; R94-A224 WeakPolarHBondContact O-CB 3.45Å; R94-E225 HydrophobicContact CG-CG 3.66Å; R94-E225 VanDerWaalsContact CG-O 3.3Å; R94-E225 WeakPolarHBondContact CG-O 3.38Å; R94-E225 IonicContact CZ-OE1 3.45Å; R94-E225 PolarHBondContact N-O 3.26Å; R94-E225 IonicContact NE-OE1 3.79Å; R94-E225 PolarHBondContact NE-OE1 3.29Å; R94-E225 IonicContact NH2-OE1 2.71Å; R94-E225 PolarHBondContact O-N 3.46Å; R94-D226 PolarHBondContact NH2-O 3Å
95	H	92.9	Very high	95.7	Very high	145 Å²	145	45.3 Å²	45.3	67%	0.671	24%	0.24	S	C	*	.			trans	-57.7	136.9	178.3	-175.3	70.9	0	0	0	111.5	S97 E225	H95-S97 PolarHBondContact O-N 2.94Å; H95-E225 WeakPolarHBondContact O-CG 3.15Å
96	L	94.7	Very high	95.9	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.089	25%	0.25	C	C	.	.	S	Bend	trans	-59.4	123.3	176.7	-179.2	71.4	0	0	0	109.8	R94 H99 A100 L103 V223 E225 P230	R94-L96 PolarHBondContact O-N 3.5Å; L96-H99 HydrophobicContact CD1-CB 4.07Å; L96-A100 HydrophobicContact CD2-CB 4.47Å; L96-L103 HydrophobicContact CD1-CD2 4.48Å; L96-L103 HydrophobicContact CD2-CD2 3.42Å; L96-L103 VanDerWaalsContact CD2-CD2 3.42Å; L96-V223 HydrophobicContact CB-CG2 4.25Å; L96-V223 HydrophobicContact CD2-CB 4.34Å; L96-V223 HydrophobicContact CD2-CG2 4Å; L96-E225 HydrophobicContact CD1-CB 4.15Å; L96-P230 HydrophobicContact CD1-CB 3.89Å
97	S	91.1	Very high	95.9	Very high	78 Å²	78	47.2 Å²	47.2	55%	0.545	25%	0.25	S	C	.	.			trans	-142.4	-83.9	179	61.6	0	0	0	0	110	H95 H99 A100 E225	H95-S97 PolarHBondContact O-N 2.94Å; S97-H99 PolarHBondContact O-N 2.78Å; S97-H99 VanDerWaalsContact O-N 3.09Å; S97-A100 PolarHBondContact O-N 3.2Å; S97-E225 PolarHBondContact N-OE2 3.13Å; S97-E225 PolarHBondContact OG-OE1 2.72Å; S97-E225 VanDerWaalsContact OG-OE1 3.08Å
98	S	93.3	Very high	96	Very high	86 Å²	86	47.2 Å²	47.2	60%	0.601	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.8	-177.4	59.5	0	0	0	0	113.9	E225	S98-E225 PolarHBondContact N-OE2 2.93Å; S98-E225 PolarHBondContact OG-OE1 3.06Å; S98-E225 PolarHBondContact OG-OE2 3.04Å
99	H	97.1	Very high	96.1	Very high	39 Å²	39	48.8 Å²	48.8	18%	0.181	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	12.5	-176.2	-61.8	100.4	0	0	0	115.3	L96 S97 A101 K102 L103 E225 P230	L96-H99 HydrophobicContact CD1-CB 4.07Å; S97-H99 PolarHBondContact O-N 2.78Å; S97-H99 VanDerWaalsContact O-N 3.09Å; H99-A101 PolarHBondContact O-N 2.9Å; H99-K102 HydrophobicContact CB-CB 4.37Å; H99-K102 WeakPolarHBondContact O-CB 3.36Å; H99-K102 PolarHBondContact O-N 3.1Å; H99-L103 PolarHBondContact O-N 3.18Å; H99-E225 HydrophobicContact CB-CB 4.35Å; H99-E225 WeakPolarHBondContact CB-OE2 3.46Å; H99-E225 IonicContact CG-OE2 2.75Å; H99-E225 PolarHBondContact N-OE2 2.92Å; H99-E225 VanDerWaalsContact ND1-CD 3.35Å; H99-E225 IonicContact ND1-OE1 3.51Å; H99-E225 IonicContact ND1-OE2 3.13Å; H99-E225 PolarHBondContact ND1-OE2 3.24Å; H99-P230 HydrophobicContact CB-CB 4.22Å; H99-P230 HydrophobicContact CB-CG 4.46Å
100	A	97.4	Very high	96.2	Very high	6 Å²	6	46.7 Å²	46.7	5%	0.05	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-43.5	-177.6	0	0	0	0	0	113.6	L96 S97 K102 L103 G104 S256 F259	L96-A100 HydrophobicContact CD2-CB 4.47Å; S97-A100 PolarHBondContact O-N 3.2Å; A100-K102 PolarHBondContact O-N 3.2Å; A100-L103 PolarHBondContact O-N 3.08Å; A100-G104 PolarHBondContact O-N 3.25Å; A100-S256 VanDerWaalsContact CB-OG 3.28Å; A100-S256 WeakPolarHBondContact CB-OG 3.37Å; A100-F259 HydrophobicContact CB-CB 4.48Å; A100-F259 WeakPolarHBondContact O-CA 3.35Å; A100-F259 WeakPolarHBondContact O-CB 3.5Å
101	A	98.4	Very high	96.4	Very high	43 Å²	43	45.4 Å²	45.4	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-39.6	174.6	0	0	0	0	0	112.4	H99 L103 G104 A105 A262	H99-A101 PolarHBondContact O-N 2.9Å; A101-L103 VanDerWaalsContact C-N 3.33Å; A101-L103 PolarHBondContact O-N 2.88Å; A101-G104 PolarHBondContact O-N 3.13Å; A101-A105 PolarHBondContact O-N 3.2Å; A101-A262 HydrophobicContact CB-CB 4.28Å; A101-A262 WeakPolarHBondContact O-CB 3.48Å
102	K	98.6	Very high	96.6	Very high	92 Å²	92	46.5 Å²	46.5	40%	0.4	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-40.6	176	-175.2	173.6	177.1	-179	0	110.9	H99 A100 A105 Q106 S228 P230	H99-K102 HydrophobicContact CB-CB 4.37Å; H99-K102 WeakPolarHBondContact O-CB 3.36Å; H99-K102 PolarHBondContact O-N 3.1Å; A100-K102 PolarHBondContact O-N 3.2Å; K102-A105 PolarHBondContact O-N 3.22Å; K102-Q106 HydrophobicContact CG-CG 4.4Å; K102-Q106 WeakPolarHBondContact O-CB 3.3Å; K102-Q106 WeakPolarHBondContact O-CG 3.28Å; K102-Q106 PolarHBondContact O-N 3.08Å; K102-S228 PolarHBondContact NZ-O 3.31Å; K102-P230 HydrophobicContact CB-CG 4.5Å; K102-P230 HydrophobicContact CG-CG 4.27Å
103	L	98.6	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-46.2	174.7	178.4	62.4	0	0	0	111	V68 L96 H99 A100 A101 A105 Q106 L107 V223 P230 I232 F259	V68-L103 HydrophobicContact CG2-CD1 4.11Å; L96-L103 HydrophobicContact CD1-CD2 4.48Å; L96-L103 HydrophobicContact CD2-CD2 3.42Å; L96-L103 VanDerWaalsContact CD2-CD2 3.42Å; H99-L103 PolarHBondContact O-N 3.18Å; A100-L103 PolarHBondContact O-N 3.08Å; A101-L103 VanDerWaalsContact C-N 3.33Å; A101-L103 PolarHBondContact O-N 2.88Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 3.25Å; L103-Q106 PolarHBondContact O-N 3.39Å; L103-L107 VanDerWaalsContact O-CB 3.31Å; L103-L107 WeakPolarHBondContact O-CB 3.48Å; L103-L107 PolarHBondContact O-N 3.44Å; L103-V223 HydrophobicContact CD2-CB 4.3Å; L103-V223 HydrophobicContact CD2-CG1 4Å; L103-P230 HydrophobicContact CB-CB 3.69Å; L103-P230 HydrophobicContact CB-CG 3.88Å; L103-P230 HydrophobicContact CD1-CB 3.99Å; L103-P230 HydrophobicContact CD1-CG 4.27Å; L103-P230 HydrophobicContact CG-CB 4.29Å; L103-I232 HydrophobicContact CD1-CG2 3.54Å; L103-F259 HydrophobicContact CB-CD2 4.15Å; L103-F259 HydrophobicContact CB-CE2 4.49Å; L103-F259 HydrophobicContact CD2-CD2 4.05Å; L103-F259 HydrophobicContact CD2-CE2 4.06Å; L103-F259 HydrophobicContact CG-CD2 3.92Å; L103-F259 HydrophobicContact CG-CE2 3.83Å
104	G	98.6	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-44.1	178.1	0	0	0	0	0	112.6	A100 A101 A108 F259 Y263	A100-G104 PolarHBondContact O-N 3.25Å; A101-G104 PolarHBondContact O-N 3.13Å; G104-A108 PolarHBondContact O-N 3.36Å; G104-A108 VanDerWaalsContact O-N 3.12Å; G104-F259 VanDerWaalsContact N-CD2 3.3Å; G104-Y263 WeakPolarHBondContact O-CA 3.36Å
105	A	98.8	Very high	97.3	Very high	25 Å²	25	37 Å²	37	21%	0.207	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-42.7	176.6	0	0	0	0	0	112.9	A101 K102 L103 A108 D109 A262	A101-A105 PolarHBondContact O-N 3.2Å; K102-A105 PolarHBondContact O-N 3.22Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 3.25Å; A105-A108 PolarHBondContact O-N 3.17Å; A105-D109 PolarHBondContact O-N 2.88Å; A105-A262 HydrophobicContact CB-CB 4.35Å
106	Q	98.8	Very high	97.5	Very high	41 Å²	41	34.4 Å²	34.4	19%	0.192	19%	0.19	C	C	.	.	H	α-helix	trans	-71.6	-35.1	-179.8	-74.1	-176.5	-39.6	0	0	112.6	T67 V68 K102 L103 D109 L110	T67-Q106 WeakPolarHBondContact O-CG 3.36Å; T67-Q106 PolarHBondContact O-NE2 3.19Å; V68-Q106 HydrophobicContact CB-CB 4.05Å; V68-Q106 HydrophobicContact CG2-CB 4.3Å; K102-Q106 HydrophobicContact CG-CG 4.4Å; K102-Q106 WeakPolarHBondContact O-CB 3.3Å; K102-Q106 WeakPolarHBondContact O-CG 3.28Å; K102-Q106 PolarHBondContact O-N 3.08Å; L103-Q106 PolarHBondContact O-N 3.39Å; Q106-D109 WeakPolarHBondContact O-CB 3.35Å; Q106-D109 PolarHBondContact O-N 3.12Å; Q106-L110 PolarHBondContact O-N 3.04Å
107	L	98.8	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-39.5	173.6	-173.3	70.8	0	0	0	111.4	L103 D109 L110 H111 L218 E245 F259 Y263	L103-L107 VanDerWaalsContact O-CB 3.31Å; L103-L107 WeakPolarHBondContact O-CB 3.48Å; L103-L107 PolarHBondContact O-N 3.44Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 3.2Å; L107-L110 HydrophobicContact CD1-CD2 4.08Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.11Å; L107-H111 PolarHBondContact O-N 3.08Å; L107-L218 HydrophobicContact CD1-CD2 3.73Å; L107-L218 HydrophobicContact CD2-CD2 3.47Å; L107-L218 VanDerWaalsContact CD2-CD2 3.47Å; L107-L218 HydrophobicContact CG-CD2 4.21Å; L107-E245 HydrophobicContact CD2-CG 4.21Å; L107-F259 HydrophobicContact CD2-CE2 3.98Å; L107-F259 HydrophobicContact CD2-CZ 3.56Å; L107-Y263 HydrophobicContact CB-CD2 4.25Å; L107-Y263 HydrophobicContact CB-CE2 4.45Å; L107-Y263 HydrophobicContact CD2-CD2 4.12Å; L107-Y263 HydrophobicContact CD2-CE2 4.07Å; L107-Y263 HydrophobicContact CG-CD2 4.3Å; L107-Y263 HydrophobicContact CG-CE2 4.09Å
108	A	98.8	Very high	97.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-36.2	172	0	0	0	0	0	111.9	G104 A105 H111 L112 Y263 K266 I267	G104-A108 PolarHBondContact O-N 3.36Å; G104-A108 VanDerWaalsContact O-N 3.12Å; A105-A108 PolarHBondContact O-N 3.17Å; A108-H111 PolarHBondContact O-N 3.01Å; A108-L112 WeakPolarHBondContact O-CB 3.49Å; A108-L112 VanDerWaalsContact O-CG 3.26Å; A108-L112 WeakPolarHBondContact O-CG 3.39Å; A108-L112 PolarHBondContact O-N 2.96Å; A108-Y263 HydrophobicContact CB-CD2 3.74Å; A108-Y263 HydrophobicContact CB-CE2 4.01Å; A108-Y263 HydrophobicContact CB-CG 4.24Å; A108-K266 HydrophobicContact CB-CB 3.7Å; A108-K266 HydrophobicContact CB-CD 3.94Å; A108-K266 HydrophobicContact CB-CG 4.36Å; A108-I267 HydrophobicContact CB-CD1 3.94Å; A108-I267 HydrophobicContact CB-CG1 4.13Å
109	D	98.8	Very high	97.5	Very high	37 Å²	37	32.2 Å²	32.2	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-40.1	173	-71.9	-39.6	0	0	0	112.4	T67 A105 Q106 L107 L112 E113 K116 K266	T67-D109 HydrophobicContact CG2-CB 4.01Å; A105-D109 PolarHBondContact O-N 2.88Å; Q106-D109 WeakPolarHBondContact O-CB 3.35Å; Q106-D109 PolarHBondContact O-N 3.12Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 3.2Å; D109-L112 PolarHBondContact O-N 2.87Å; D109-E113 PolarHBondContact O-N 3.25Å; D109-K116 IonicContact OD1-NZ 3.32Å; D109-K116 PolarHBondContact OD1-NZ 2.79Å; D109-K266 IonicContact OD1-NZ 3.88Å; D109-K266 PolarHBondContact OD1-NZ 3.49Å; D109-K266 IonicContact OD2-NZ 2.64Å; D109-K266 PolarHBondContact OD2-NZ 3.24Å
110	L	98.8	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.8	-50.6	172.2	176.2	62.9	0	0	0	110.7	I62 T65 T67 V68 Q106 L107 L112 E113 L213	I62-L110 HydrophobicContact CG2-CD1 4.29Å; I62-L110 HydrophobicContact CG2-CD2 4.37Å; T65-L110 HydrophobicContact CG2-CD1 3.51Å; T67-L110 WeakPolarHBondContact OG1-CB 3.47Å; V68-L110 HydrophobicContact CG1-CD2 4.16Å; Q106-L110 PolarHBondContact O-N 3.04Å; L107-L110 HydrophobicContact CD1-CD2 4.08Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.11Å; L110-L112 VanDerWaalsContact C-N 3.3Å; L110-L112 PolarHBondContact O-N 3.36Å; L110-E113 WeakPolarHBondContact O-CB 3.35Å; L110-E113 PolarHBondContact O-N 3.08Å; L110-L213 HydrophobicContact CD1-CB 4.4Å; L110-L213 HydrophobicContact CD1-CD2 4.05Å; L110-L213 HydrophobicContact CD1-CG 4.3Å
111	H	98.8	Very high	96.8	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-69.6	-26.4	-177.9	-66.6	173.7	0	0	0	113.6	L107 A108 A212 L213 Y263 I267	L107-H111 PolarHBondContact O-N 3.08Å; A108-H111 PolarHBondContact O-N 3.01Å; H111-A212 HydrophobicContact CB-CB 4.02Å; H111-A212 WeakPolarHBondContact O-CB 3.41Å; H111-L213 PolarHBondContact CD2-O 3.28Å; H111-L213 VanDerWaalsContact CD2-O 3.31Å; H111-Y263 AromaticContact ND1-CE2 3.51Å; H111-Y263 AromaticContact ND1-CZ 3.6Å; H111-Y263 PolarHBondContact ND1-OH 2.95Å; H111-I267 HydrophobicContact CB-CD1 3.83Å
112	L	98.6	Very high	96.3	Very high	34 Å²	34	40 Å²	40	18%	0.178	20%	0.2	C	C	.	.	H	α-helix	trans	-86.5	-10	176.6	-72.4	169.5	0	0	0	113.5	A108 D109 L110 N114 K115 K116 K266 I267	A108-L112 WeakPolarHBondContact O-CB 3.49Å; A108-L112 VanDerWaalsContact O-CG 3.26Å; A108-L112 WeakPolarHBondContact O-CG 3.39Å; A108-L112 PolarHBondContact O-N 2.96Å; D109-L112 PolarHBondContact O-N 2.87Å; L110-L112 VanDerWaalsContact C-N 3.3Å; L110-L112 PolarHBondContact O-N 3.36Å; L112-N114 PolarHBondContact O-N 3.09Å; L112-K115 HydrophobicContact CD2-CD 4.18Å; L112-K115 PolarHBondContact O-N 3.02Å; L112-K116 HydrophobicContact CB-CD 4.37Å; L112-K116 WeakPolarHBondContact O-CB 3.42Å; L112-K116 VanDerWaalsContact O-CG 3.31Å; L112-K116 WeakPolarHBondContact O-CG 3.06Å; L112-K116 PolarHBondContact O-N 3.14Å; L112-K266 HydrophobicContact CD1-CB 4.3Å; L112-I267 HydrophobicContact CD1-CD1 4.38Å; L112-I267 HydrophobicContact CD1-CG1 3.93Å; L112-I267 HydrophobicContact CD2-CD1 4.38Å; L112-I267 HydrophobicContact CD2-CG1 4.12Å; L112-I267 HydrophobicContact CG-CD1 3.94Å; L112-I267 HydrophobicContact CG-CG1 3.91Å
113	E	97.7	Very high	95.8	Very high	40 Å²	40	42.7 Å²	42.7	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-50.5	-172.4	-172.5	-92.2	-174.8	0	0	112	T65 D109 L110 K115 K116 R117 R137	T65-E113 HydrophobicContact CG2-CG 4.47Å; D109-E113 PolarHBondContact O-N 3.25Å; L110-E113 WeakPolarHBondContact O-CB 3.35Å; L110-E113 PolarHBondContact O-N 3.08Å; E113-K115 PolarHBondContact O-N 3.33Å; E113-K116 PolarHBondContact O-N 2.76Å; E113-R117 PolarHBondContact O-N 3.32Å; E113-R137 VanDerWaalsContact CD-NH2 3.33Å; E113-R137 IonicContact OE1-CZ 3.67Å; E113-R137 IonicContact OE1-NE 3.9Å; E113-R137 IonicContact OE1-NH2 2.88Å; E113-R137 PolarHBondContact OE1-NH2 3.22Å; E113-R137 IonicContact OE2-NH2 3.56Å
114	N	97.6	Very high	95.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.011	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-39.1	179.4	-173.2	49.9	0	0	0	112.3	L112 R117 G118 F139 V140 P211 Y239	L112-N114 PolarHBondContact O-N 3.09Å; N114-R117 WeakPolarHBondContact O-CB 3.24Å; N114-R117 PolarHBondContact O-N 2.73Å; N114-G118 PolarHBondContact O-N 2.79Å; N114-F139 WeakPolarHBondContact O-CD2 3.26Å; N114-F139 WeakPolarHBondContact OD1-CD2 3.37Å; N114-V140 PolarHBondContact ND2-O 2.81Å; N114-V140 PolarHBondContact OD1-N 3.4Å; N114-P211 WeakPolarHBondContact CB-O 3.44Å; N114-P211 PolarHBondContact ND2-O 3.21Å; N114-Y239 HydrophobicContact CB-CE1 4.35Å
115	K	97.1	Very high	94.3	Very high	85 Å²	85	51.5 Å²	51.5	37%	0.37	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-49.5	174.1	178.2	178.7	179.7	178.3	0	111.4	L112 E113 R117 G118 E119 I210	L112-K115 HydrophobicContact CD2-CD 4.18Å; L112-K115 PolarHBondContact O-N 3.02Å; E113-K115 PolarHBondContact O-N 3.33Å; K115-R117 PolarHBondContact O-N 2.9Å; K115-G118 PolarHBondContact O-N 3.17Å; K115-E119 WeakPolarHBondContact CE-OE1 3.47Å; K115-E119 WeakPolarHBondContact O-CG 3.33Å; K115-E119 PolarHBondContact O-N 2.6Å; K115-I210 HydrophobicContact CB-CD1 4.32Å; K115-I210 HydrophobicContact CB-CG2 4.13Å; K115-I210 HydrophobicContact CD-CD1 3.83Å; K115-I210 HydrophobicContact CG-CD1 3.76Å
116	K	96.1	Very high	93.2	Very high	91 Å²	91	53.4 Å²	53.4	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-59	-37.5	177.2	-71.9	169.4	-177.7	168.8	0	110.9	D109 L112 E113 E119 T120	D109-K116 IonicContact OD1-NZ 3.32Å; D109-K116 PolarHBondContact OD1-NZ 2.79Å; L112-K116 HydrophobicContact CB-CD 4.37Å; L112-K116 WeakPolarHBondContact O-CB 3.42Å; L112-K116 VanDerWaalsContact O-CG 3.31Å; L112-K116 WeakPolarHBondContact O-CG 3.06Å; L112-K116 PolarHBondContact O-N 3.14Å; E113-K116 PolarHBondContact O-N 2.76Å; K116-E119 PolarHBondContact O-N 3.1Å; K116-T120 PolarHBondContact O-N 3.27Å; K116-T120 PolarHBondContact O-OG1 3.17Å; K116-T120 VanDerWaalsContact O-OG1 3.1Å
117	R	93.3	Very high	92.1	Very high	39 Å²	39	56 Å²	56	15%	0.147	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-48.3	175.3	-178	54	173.9	166.2	-4.4	112.1	E113 N114 K115 E119 T120 L121 E136 R137 F139	E113-R117 PolarHBondContact O-N 3.32Å; N114-R117 WeakPolarHBondContact O-CB 3.24Å; N114-R117 PolarHBondContact O-N 2.73Å; K115-R117 PolarHBondContact O-N 2.9Å; R117-E119 VanDerWaalsContact C-N 3.34Å; R117-E119 PolarHBondContact O-N 2.98Å; R117-T120 PolarHBondContact O-N 2.79Å; R117-L121 HydrophobicContact CG-CD1 4.31Å; R117-L121 WeakPolarHBondContact O-CG 3.34Å; R117-L121 PolarHBondContact O-N 2.92Å; R117-E136 IonicContact CZ-OE2 2.65Å; R117-E136 IonicContact NH1-OE2 3.31Å; R117-E136 PolarHBondContact NH1-OE2 3.03Å; R117-E136 IonicContact NH2-OE2 3.58Å; R117-E136 PolarHBondContact NH2-OE2 3.06Å; R117-R137 PolarHBondContact NE-O 3.45Å; R117-F139 HydrophobicContact CG-CB 4.28Å
118	G	93.3	Very high	90	Very high	11 Å²	11	63.7 Å²	63.7	11%	0.113	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-43.8	175.1	0	0	0	0	0	112.7	N114 K115 T120 L121 L122	N114-G118 PolarHBondContact O-N 2.79Å; K115-G118 PolarHBondContact O-N 3.17Å; G118-T120 PolarHBondContact O-N 2.9Å; G118-L121 PolarHBondContact O-N 2.89Å; G118-L122 WeakPolarHBondContact O-CG 3.43Å; G118-L122 PolarHBondContact O-N 2.84Å
119	E	93.9	Very high	88.2	Confident	85 Å²	85	66.8 Å²	66.8	40%	0.397	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-38.9	176.5	-69.7	173.9	178.4	0	0	113	K115 K116 R117 K123	K115-E119 WeakPolarHBondContact CE-OE1 3.47Å; K115-E119 WeakPolarHBondContact O-CG 3.33Å; K115-E119 PolarHBondContact O-N 2.6Å; K116-E119 PolarHBondContact O-N 3.1Å; R117-E119 VanDerWaalsContact C-N 3.34Å; R117-E119 PolarHBondContact O-N 2.98Å; E119-K123 WeakPolarHBondContact O-CG 3.47Å; E119-K123 PolarHBondContact O-N 2.91Å
120	T	91.6	Very high	86.1	Confident	56 Å²	56	76.8 Å²	76.8	34%	0.344	42%	0.423	S	S	.	.	H	α-helix	trans	-64.9	-47.9	175.1	-64.4	0	0	0	0	111.3	K116 R117 G118 L122 K123 E124	K116-T120 PolarHBondContact O-N 3.27Å; K116-T120 PolarHBondContact O-OG1 3.17Å; K116-T120 VanDerWaalsContact O-OG1 3.1Å; R117-T120 PolarHBondContact O-N 2.79Å; G118-T120 PolarHBondContact O-N 2.9Å; T120-L122 VanDerWaalsContact C-N 3.3Å; T120-L122 PolarHBondContact O-N 3.24Å; T120-K123 WeakPolarHBondContact O-CB 3.44Å; T120-K123 PolarHBondContact O-N 2.6Å; T120-E124 HydrophobicContact CG2-CG 4.37Å; T120-E124 WeakPolarHBondContact CG2-OE1 3.26Å; T120-E124 WeakPolarHBondContact O-CG 3.35Å; T120-E124 PolarHBondContact O-N 2.75Å
121	L	88.6	Confident	83.8	Confident	61 Å²	61	80.8 Å²	80.8	32%	0.319	46%	0.463	S	S	.	.	H	α-helix	trans	-60.3	-38.8	178.9	-70.5	173.1	0	0	0	112.3	R117 G118 K123 E124 A125 F139	R117-L121 HydrophobicContact CG-CD1 4.31Å; R117-L121 WeakPolarHBondContact O-CG 3.34Å; R117-L121 PolarHBondContact O-N 2.92Å; G118-L121 PolarHBondContact O-N 2.89Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.44Å; L121-E124 PolarHBondContact O-N 2.97Å; L121-A125 WeakPolarHBondContact O-CB 3.49Å; L121-A125 PolarHBondContact O-N 2.81Å; L121-F139 HydrophobicContact CD1-CB 3.67Å
122	L	87.8	Confident	81.5	Confident	136 Å²	136	84.6 Å²	84.6	71%	0.712	51%	0.505	S	S	*	.	H	α-helix	trans	-63.3	-38.8	174.7	-73.3	170.8	0	0	0	112.4	G118 T120 G126	G118-L122 WeakPolarHBondContact O-CG 3.43Å; G118-L122 PolarHBondContact O-N 2.84Å; T120-L122 VanDerWaalsContact C-N 3.3Å; T120-L122 PolarHBondContact O-N 3.24Å; L122-G126 PolarHBondContact O-N 2.73Å
123	K	87.1	Confident	79.1	Confident	147 Å²	147	86.5 Å²	86.5	64%	0.639	53%	0.532	S	S	*	.	H	α-helix	trans	-67.9	-42.9	176	-71.1	169.5	-174.6	170.2	0	111.6	E119 T120 L121 G126 T127	E119-K123 WeakPolarHBondContact O-CG 3.47Å; E119-K123 PolarHBondContact O-N 2.91Å; T120-K123 WeakPolarHBondContact O-CB 3.44Å; T120-K123 PolarHBondContact O-N 2.6Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.44Å; K123-G126 PolarHBondContact O-N 2.82Å; K123-G126 VanDerWaalsContact O-N 3.15Å; K123-T127 PolarHBondContact O-N 2.82Å
124	E	84.9	Confident	76.9	Confident	94 Å²	94	92.4 Å²	92.4	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-63.9	-41.4	178.7	-71.9	174.1	175.4	0	0	112.1	T120 L121 G126 T127	T120-E124 HydrophobicContact CG2-CG 4.37Å; T120-E124 WeakPolarHBondContact CG2-OE1 3.26Å; T120-E124 WeakPolarHBondContact O-CG 3.35Å; T120-E124 PolarHBondContact O-N 2.75Å; L121-E124 PolarHBondContact O-N 2.97Å; E124-G126 PolarHBondContact O-N 3.38Å; E124-T127 PolarHBondContact O-N 2.84Å; E124-T127 PolarHBondContact O-OG1 2.95Å
125	A	81	Confident	74.8	Confident	91 Å²	91	102.2 Å²	102.2	75%	0.752	61%	0.606	S	S	*	*	H	α-helix	trans	-60.7	-27.1	174.5	0	0	0	0	0	112.9	L121	L121-A125 WeakPolarHBondContact O-CB 3.49Å; L121-A125 PolarHBondContact O-N 2.81Å
126	G	76.9	Confident	73.4	Confident	66 Å²	66	102.8 Å²	102.8	68%	0.68	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-8.4	174.8	0	0	0	0	0	114.9	L122 K123 E124	L122-G126 PolarHBondContact O-N 2.73Å; K123-G126 PolarHBondContact O-N 2.82Å; K123-G126 VanDerWaalsContact O-N 3.15Å; E124-G126 PolarHBondContact O-N 3.38Å
127	T	74.1	Confident	72.7	Confident	96 Å²	96	100.8 Å²	100.8	59%	0.589	60%	0.6	S	S	*	*	S	Bend	trans	-111.6	111.9	-178.4	50.4	0	0	0	0	111.7	K123 E124 G129	K123-T127 PolarHBondContact O-N 2.82Å; E124-T127 PolarHBondContact O-N 2.84Å; E124-T127 PolarHBondContact O-OG1 2.95Å; T127-G129 PolarHBondContact O-N 3.43Å; T127-G129 VanDerWaalsContact O-N 3.13Å
128	V	54.7	Low	72.4	Confident	160 Å²	160	103.7 Å²	103.7	97%	0.97	62%	0.623	S	S	*	*	S	Bend	trans	-73.2	106	174.7	-177.5	0	0	0	0	109.1
129	G	60.8	Low	72.5	Confident	65 Å²	65	106.9 Å²	106.9	67%	0.67	63%	0.634	S	S	*	*	S	Bend	trans	106.5	80.1	167.8	0	0	0	0	0	114.8	T127	T127-G129 PolarHBondContact O-N 3.43Å; T127-G129 VanDerWaalsContact O-N 3.13Å
130	R	54.7	Low	72.6	Confident	248 Å²	248	103.8 Å²	103.8	94%	0.936	62%	0.621	S	S	*	*			trans	-173	98.7	138.6	-103.9	170.5	-164.3	-148.8	4.2	108.4
131	G	50.9	Low	72.9	Confident	83 Å²	83	106.4 Å²	106.4	86%	0.856	63%	0.633	S	S	*	*			trans	-93.5	136.8	163.5	0	0	0	0	0	109.8
132	G	50.8	Low	73.4	Confident	87 Å²	87	106.2 Å²	106.2	90%	0.897	63%	0.631	S	S	*	*			trans	110.9	115.8	153.9	0	0	0	0	0	115.1
133	G	48.8	Very low	73.9	Confident	73 Å²	73	100 Å²	100	75%	0.753	60%	0.598	S	S	*	*			trans	157.3	26.9	154.5	0	0	0	0	0	120.3
134	Q	50.7	Low	74.4	Confident	165 Å²	165	93 Å²	93	77%	0.771	57%	0.568	S	S	*	*			trans	-168.3	146.2	153.5	-107	158.9	8.2	0	0	110.3	E136	Q134-E136 HydrophobicContact CB-CG 3.92Å; Q134-E136 PolarHBondContact O-N 2.85Å
135	E	54.1	Low	75.1	Confident	208 Å²	208	89.2 Å²	89.2	97%	0.972	55%	0.549	S	S	*	.			trans	-65.7	70.9	166.6	-75.9	-176.1	158.9	0	0	109.3
136	E	68.3	Low	75.8	Confident	96 Å²	96	91 Å²	91	45%	0.449	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-83.1	133.3	176.7	-70.4	-175.1	150	0	0	109.3	R117 Q134	R117-E136 IonicContact CZ-OE2 2.65Å; R117-E136 IonicContact NH1-OE2 3.31Å; R117-E136 PolarHBondContact NH1-OE2 3.03Å; R117-E136 IonicContact NH2-OE2 3.58Å; R117-E136 PolarHBondContact NH2-OE2 3.06Å; Q134-E136 HydrophobicContact CB-CG 3.92Å; Q134-E136 PolarHBondContact O-N 2.85Å
137	R	79.5	Confident	76.8	Confident	49 Å²	49	90.6 Å²	90.6	19%	0.185	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-58.4	143.6	-175.7	-76.2	-173.3	-70	171.4	11.3	111.9	A61 K64 T65 E113 R117	A61-R137 PolarHBondContact O-NH1 3.37Å; K64-R137 VanDerWaalsContact C-CZ 3.47Å; K64-R137 VanDerWaalsContact C-NH2 3.31Å; K64-R137 PolarHBondContact O-NH2 3.19Å; T65-R137 VanDerWaalsContact N-NH2 3.11Å; E113-R137 VanDerWaalsContact CD-NH2 3.33Å; E113-R137 IonicContact OE1-CZ 3.67Å; E113-R137 IonicContact OE1-NE 3.9Å; E113-R137 IonicContact OE1-NH2 2.88Å; E113-R137 PolarHBondContact OE1-NH2 3.22Å; E113-R137 IonicContact OE2-NH2 3.56Å; R117-R137 PolarHBondContact NE-O 3.45Å
138	P	88.1	Confident	77.9	Confident	100 Å²	100	88.5 Å²	88.5	65%	0.649	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-64.6	150.1	176.3	28.6	-34.2	0	0	0	110.2
139	F	94.9	Very high	79.9	Confident	78 Å²	78	80.9 Å²	80.9	34%	0.342	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-64	135.9	165.7	171.9	-111	0	0	0	109.3	N114 R117 L121 D141 I210	N114-F139 WeakPolarHBondContact O-CD2 3.26Å; N114-F139 WeakPolarHBondContact OD1-CD2 3.37Å; R117-F139 HydrophobicContact CG-CB 4.28Å; L121-F139 HydrophobicContact CD1-CB 3.67Å; F139-D141 HydrophobicContact CD1-CB 4.12Å; F139-D141 HydrophobicContact CE1-CB 3.61Å; F139-D141 HydrophobicContact CZ-CB 4.41Å; F139-I210 HydrophobicContact CE2-CG2 4.36Å
140	V	97.2	Very high	81.5	Confident	20 Å²	20	78.6 Å²	78.6	12%	0.121	45%	0.445	C	S	.	.			trans	-103	114.3	176.4	-179	0	0	0	0	108.6	N114 Q142 W160 Y239	N114-V140 PolarHBondContact ND2-O 2.81Å; N114-V140 PolarHBondContact OD1-N 3.4Å; V140-Q142 WeakPolarHBondContact CG1-O 3.35Å; V140-W160 HydrophobicContact CG1-CH2 3.78Å; V140-W160 HydrophobicContact CG1-CZ3 3.53Å; V140-Y239 HydrophobicContact CB-CD1 4.02Å; V140-Y239 HydrophobicContact CB-CE1 3.94Å; V140-Y239 HydrophobicContact CB-CG 4.39Å; V140-Y239 HydrophobicContact CG1-CD1 3.99Å; V140-Y239 HydrophobicContact CG1-CD2 4.09Å; V140-Y239 HydrophobicContact CG1-CE1 4.31Å; V140-Y239 HydrophobicContact CG1-CE2 4.39Å; V140-Y239 HydrophobicContact CG1-CG 3.88Å; V140-Y239 HydrophobicContact CG2-CD1 4.37Å; V140-Y239 HydrophobicContact CG2-CE1 3.85Å; V140-Y239 HydrophobicContact CG2-CE2 4.03Å
141	D	97.2	Very high	83.2	Confident	111 Å²	111	67 Å²	67	59%	0.594	40%	0.402	S	S	*	.			trans	-98.1	-3.1	-177.3	61.9	-15.1	0	0	0	113.7	F139	F139-D141 HydrophobicContact CD1-CB 4.12Å; F139-D141 HydrophobicContact CE1-CB 3.61Å; F139-D141 HydrophobicContact CZ-CB 4.41Å
142	Q	98.3	Very high	84.8	Confident	57 Å²	57	64.1 Å²	64.1	27%	0.266	37%	0.373	S	S	.	.	S	Bend	trans	-119.3	161.5	180	-65	-176.4	-48.7	0	0	112.5	V140 W160 Q161 E162 P211	V140-Q142 WeakPolarHBondContact CG1-O 3.35Å; Q142-W160 HydrophobicContact CB-CB 4.41Å; Q142-W160 HydrophobicContact CB-CE3 3.77Å; Q142-W160 HydrophobicContact CB-CZ3 4.46Å; Q142-W160 WeakPolarHBondContact O-CZ3 3.5Å; Q142-Q161 CarbonylContact C-O 3.56Å; Q142-Q161 WeakPolarHBondContact CA-O 3.33Å; Q142-Q161 WeakPolarHBondContact CB-O 3.3Å; Q142-E162 HydrophobicContact CG-CG 4.18Å; Q142-P211 WeakPolarHBondContact O-CB 3.37Å; Q142-P211 WeakPolarHBondContact O-CG 3.28Å
143	F	98.8	Very high	86.4	Confident	7 Å²	7	63.3 Å²	63.3	3%	0.031	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-95.8	135.7	173.7	-54.1	-75.7	0	0	0	110.1	W160 Q161 E162 W164 F167 I209 P211 Y239	F143-W160 CarbonylContact O-C 3.51Å; F143-W160 VanDerWaalsContact O-CA 3.29Å; F143-W160 WeakPolarHBondContact O-CA 3.25Å; F143-Q161 WeakPolarHBondContact CD2-O 3.47Å; F143-Q161 PolarHBondContact N-O 3.1Å; F143-Q161 PolarHBondContact O-N 2.84Å; F143-E162 WeakPolarHBondContact CE2-O 3.32Å; F143-W164 HydrophobicContact CB-CE3 4.22Å; F143-W164 HydrophobicContact CD1-CB 4.38Å; F143-W164 HydrophobicContact CD1-CD2 4.4Å; F143-W164 AromaticContact CD1-CE3 3.56Å; F143-W164 HydrophobicContact CD1-CE3 3.56Å; F143-W164 HydrophobicContact CD1-CZ3 4.27Å; F143-W164 HydrophobicContact CD2-CB 3.95Å; F143-W164 HydrophobicContact CE1-CB 4.01Å; F143-W164 HydrophobicContact CE1-CD2 4.46Å; F143-W164 HydrophobicContact CE1-CE3 4.03Å; F143-W164 HydrophobicContact CE1-CG 4.5Å; F143-W164 HydrophobicContact CE2-CB 3.58Å; F143-W164 VanDerWaalsContact CE2-N 3.26Å; F143-W164 HydrophobicContact CG-CB 4.34Å; F143-W164 AromaticContact CG-CE3 3.84Å; F143-W164 HydrophobicContact CG-CE3 3.84Å; F143-W164 HydrophobicContact CZ-CB 3.61Å; F143-F167 HydrophobicContact CB-CB 4.1Å; F143-F167 HydrophobicContact CB-CD1 4.16Å; F143-F167 HydrophobicContact CB-CD2 4.04Å; F143-F167 HydrophobicContact CB-CG 3.82Å; F143-I209 HydrophobicContact CE1-CG2 3.71Å; F143-I209 HydrophobicContact CZ-CB 4.16Å; F143-I209 HydrophobicContact CZ-CG2 3.75Å; F143-P211 HydrophobicContact CD1-CB 3.86Å; F143-P211 HydrophobicContact CD1-CG 3.85Å; F143-P211 HydrophobicContact CE1-CB 3.84Å; F143-P211 HydrophobicContact CE1-CG 3.58Å; F143-P211 HydrophobicContact CE2-CG 4.45Å; F143-P211 HydrophobicContact CG-CG 4.43Å; F143-P211 HydrophobicContact CZ-CG 3.89Å; F143-Y239 WeakPolarHBondContact CA-O 3.38Å
144	G	98.5	Very high	88.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	143	-165.8	-173.9	0	0	0	0	0	113.1	N158 Y239	G144-N158 WeakPolarHBondContact CA-O 3.34Å; G144-Y239 PolarHBondContact N-O 3.31Å; G144-Y239 VanDerWaalsContact N-O 3.09Å; G144-Y239 PolarHBondContact O-N 2.92Å
145	F	98.5	Very high	90.5	Very high	13 Å²	13	56.9 Å²	56.9	6%	0.057	30%	0.301	C	S	.	.			trans	-158.4	149.3	176.3	-152.2	-121.7	0	0	0	110.5	A57 A61 V147 T149 N158 L213 F238 Y239	A57-F145 HydrophobicContact CB-CE1 4.08Å; A61-F145 HydrophobicContact CB-CE2 4.14Å; A61-F145 HydrophobicContact CB-CZ 3.88Å; F145-V147 HydrophobicContact CD1-CG2 3.85Å; F145-V147 HydrophobicContact CE1-CG2 3.93Å; F145-V147 PolarHBondContact O-N 3Å; F145-V147 VanDerWaalsContact O-N 3.13Å; F145-T149 HydrophobicContact CD1-CG2 3.7Å; F145-T149 HydrophobicContact CE1-CG2 3.96Å; F145-N158 HydrophobicContact CB-CB 3.89Å; F145-N158 PolarHBondContact N-O 3.36Å; F145-L213 HydrophobicContact CE2-CD1 3.97Å; F145-F238 HydrophobicContact CB-CB 4.07Å; F145-Y239 HydrophobicContact CD2-CD2 4.1Å; F145-Y239 HydrophobicContact CD2-CE2 4.27Å; F145-Y239 HydrophobicContact CE2-CE2 4.28Å
146	D	96.9	Very high	92.5	Very high	129 Å²	129	47.5 Å²	47.5	69%	0.69	26%	0.256	S	S	*	.	S	Bend	trans	-64.3	-22.3	-175	-64.6	-44.6	0	0	0	114	W160	D146-W160 WeakPolarHBondContact OD1-CZ2 3.21Å; D146-W160 PolarHBondContact OD1-NE1 3.47Å
147	V	96.8	Very high	93.8	Very high	57 Å²	57	45.6 Å²	45.6	35%	0.345	25%	0.252	S	S	.	.	S	Bend	trans	-131.2	157.6	179.9	-57.6	0	0	0	0	111.2	A57 F145 T149 N158	A57-V147 HydrophobicContact CB-CG2 3.45Å; A57-V147 VanDerWaalsContact CB-CG2 3.45Å; F145-V147 HydrophobicContact CD1-CG2 3.85Å; F145-V147 HydrophobicContact CE1-CG2 3.93Å; F145-V147 PolarHBondContact O-N 3Å; F145-V147 VanDerWaalsContact O-N 3.13Å; V147-T149 HydrophobicContact CG2-CG2 4.47Å; V147-T149 PolarHBondContact O-N 2.87Å; V147-N158 PolarHBondContact O-ND2 2.94Å
148	V	96.8	Very high	94.7	Very high	52 Å²	52	43.6 Å²	43.6	32%	0.315	24%	0.244	S	C	.	.			trans	-64.9	124.5	168.6	177	0	0	0	0	109	R50 G54 P155	R50-V148 HydrophobicContact CG-CB 4.26Å; R50-V148 HydrophobicContact CG-CG1 4.23Å; G54-V148 WeakPolarHBondContact CA-O 3.35Å; V148-P155 HydrophobicContact CG1-CB 3.7Å
149	T	97.2	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.			trans	-106	161.6	168.3	57.5	0	0	0	0	109.3	S58 F145 V147 Q156 N158 S237	S58-T149 WeakPolarHBondContact OG-CG2 3.4Å; F145-T149 HydrophobicContact CD1-CG2 3.7Å; F145-T149 HydrophobicContact CE1-CG2 3.96Å; V147-T149 HydrophobicContact CG2-CG2 4.47Å; V147-T149 PolarHBondContact O-N 2.87Å; T149-Q156 WeakPolarHBondContact O-CB 3.28Å; T149-Q156 PolarHBondContact O-N 3.15Å; T149-Q156 PolarHBondContact OG1-NE2 2.94Å; T149-N158 PolarHBondContact N-ND2 3.24Å; T149-N158 PolarHBondContact OG1-ND2 3.22Å; T149-S237 VanDerWaalsContact CG2-O 3.25Å; T149-S237 WeakPolarHBondContact CG2-O 3.48Å; T149-S237 PolarHBondContact OG1-O 3.13Å
150	C	94.4	Very high	95.3	Very high	18 Å²	18	44 Å²	44	12%	0.122	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.9	-179.6	-60.7	0	0	0	0	110.5	M51 G152 L154 A236	M51-C150 HydrophobicContact CB-CB 4.4Å; M51-C150 HydrophobicContact CG-CB 4.1Å; C150-G152 VanDerWaalsContact CB-O 3.28Å; C150-G152 WeakPolarHBondContact CB-O 3.47Å; C150-L154 VanDerWaalsContact CA-O 3.27Å; C150-L154 WeakPolarHBondContact CA-O 3.24Å; C150-A236 WeakPolarHBondContact O-CB 3.41Å
151	C	90.8	Very high	95.4	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.02	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	104.8	166.7	-175.1	0	0	0	0	107.8	L154 Q156 N287 H291	C151-L154 PolarHBondContact N-O 3.38Å; C151-L154 PolarHBondContact O-N 3.34Å; C151-Q156 HydrophobicContact CB-CG 4.44Å; C151-N287 PolarHBondContact SG-ND2 2.91Å; C151-N287 VanDerWaalsContact SG-ND2 3.38Å; C151-H291 PolarHBondContact O-NE2 2.87Å
152	G	84.5	Confident	95.4	Very high	24 Å²	24	48.3 Å²	48.3	25%	0.247	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-130.7	-158.4	0	0	0	0	0	111	I25 C150	I25-G152 VanDerWaalsContact CD1-CA 3.46Å; C150-G152 VanDerWaalsContact CB-O 3.28Å; C150-G152 WeakPolarHBondContact CB-O 3.47Å
153	Y	84.1	Confident	95.4	Very high	69 Å²	69	49.3 Å²	49.3	27%	0.271	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.3	174	-73.9	-73.4	0	0	0	114.8	I25 N43 K45 M51 P155 H291	I25-Y153 HydrophobicContact CB-CD2 4.49Å; I25-Y153 HydrophobicContact CB-CE2 3.76Å; I25-Y153 HydrophobicContact CD1-CD2 3.72Å; I25-Y153 HydrophobicContact CD1-CE2 3.86Å; I25-Y153 HydrophobicContact CD1-CG 4.32Å; I25-Y153 HydrophobicContact CG1-CD2 3.85Å; I25-Y153 HydrophobicContact CG1-CE2 3.45Å; I25-Y153 VanDerWaalsContact CG1-CE2 3.45Å; I25-Y153 HydrophobicContact CG2-CD1 4.1Å; I25-Y153 HydrophobicContact CG2-CD2 4.07Å; I25-Y153 HydrophobicContact CG2-CE1 3.45Å; I25-Y153 VanDerWaalsContact CG2-CE1 3.45Å; I25-Y153 HydrophobicContact CG2-CE2 3.42Å; I25-Y153 VanDerWaalsContact CG2-CE2 3.42Å; I25-Y153 HydrophobicContact CG2-CG 4.38Å; I25-Y153 WeakPolarHBondContact CG2-OH 3.11Å; I25-Y153 PolarHBondContact O-OH 2.94Å; N43-Y153 PolarHBondContact ND2-OH 3.28Å; K45-Y153 HydrophobicContact CD-CD1 4.48Å; K45-Y153 HydrophobicContact CD-CE1 3.79Å; M51-Y153 HydrophobicContact SD-CD1 4.29Å; M51-Y153 HydrophobicContact SD-CE1 4.42Å; Y153-P155 WeakPolarHBondContact O-CD 3.48Å; Y153-H291 PolarHBondContact N-CE1 3.05Å
154	L	91.5	Very high	95.4	Very high	32 Å²	32	49.2 Å²	49.2	17%	0.168	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.2	-172.7	-70.7	171.9	0	0	0	109.8	C150 C151 M179 N290 H291	C150-L154 VanDerWaalsContact CA-O 3.27Å; C150-L154 WeakPolarHBondContact CA-O 3.24Å; C151-L154 PolarHBondContact N-O 3.38Å; C151-L154 PolarHBondContact O-N 3.34Å; L154-M179 HydrophobicContact CD1-CE 3.81Å; L154-M179 HydrophobicContact CD1-SD 4.07Å; L154-M179 HydrophobicContact CD2-CE 4.2Å; L154-M179 HydrophobicContact CD2-SD 3.58Å; L154-M179 VanDerWaalsContact CD2-SD 3.58Å; L154-M179 HydrophobicContact CG-CE 4.47Å; L154-M179 HydrophobicContact CG-SD 4.41Å; L154-N290 HydrophobicContact CD1-CB 3.86Å; L154-H291 WeakPolarHBondContact CD1-NE2 3.48Å; L154-H291 VanDerWaalsContact CG-CE1 3.42Å; L154-H291 WeakPolarHBondContact CG-CE1 3.18Å; L154-H291 WeakPolarHBondContact CG-NE2 3.46Å; L154-H291 PolarHBondContact N-CE1 3.48Å
155	P	94.6	Very high	95.4	Very high	72 Å²	72	50.4 Å²	50.4	47%	0.468	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	139.4	177.9	28.5	-33.7	0	0	0	110.5	V148 Y153	V148-P155 HydrophobicContact CG1-CB 3.7Å; Y153-P155 WeakPolarHBondContact O-CD 3.48Å
156	Q	95.9	Very high	95.3	Very high	10 Å²	10	52 Å²	52	5%	0.047	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-94.6	134.3	173.1	-59	-173.9	101.9	0	0	109.5	T149 C151 N158 A236	T149-Q156 WeakPolarHBondContact O-CB 3.28Å; T149-Q156 PolarHBondContact O-N 3.15Å; T149-Q156 PolarHBondContact OG1-NE2 2.94Å; C151-Q156 HydrophobicContact CB-CG 4.44Å; Q156-N158 PolarHBondContact O-N 3.15Å; Q156-A236 PolarHBondContact NE2-O 3.01Å
157	V	95.6	Very high	95.4	Very high	57 Å²	57	45.9 Å²	45.9	35%	0.345	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-74.4	122.3	169.9	-175.6	0	0	0	0	107.4	Q171 R172 P175	V157-Q171 HydrophobicContact CB-CB 4.03Å; V157-Q171 HydrophobicContact CB-CG 4.35Å; V157-Q171 HydrophobicContact CG1-CB 4.22Å; V157-Q171 HydrophobicContact CG1-CG 3.99Å; V157-Q171 PolarHBondContact O-OE1 3.13Å; V157-R172 PolarHBondContact O-NH1 3.44Å; V157-P175 HydrophobicContact CG2-CG 4.4Å
158	N	97.8	Very high	95.5	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.032	23%	0.23	C	C	.	.			trans	-122.1	17.9	-172	-78.2	-21.5	0	0	0	112.7	G144 F145 V147 T149 Q156 W160 R172	G144-N158 WeakPolarHBondContact CA-O 3.34Å; F145-N158 HydrophobicContact CB-CB 3.89Å; F145-N158 PolarHBondContact N-O 3.36Å; V147-N158 PolarHBondContact O-ND2 2.94Å; T149-N158 PolarHBondContact N-ND2 3.24Å; T149-N158 PolarHBondContact OG1-ND2 3.22Å; Q156-N158 PolarHBondContact O-N 3.15Å; N158-W160 PolarHBondContact O-N 3.08Å; N158-R172 PolarHBondContact OD1-NH2 2.94Å
159	D	98.3	Very high	95.6	Very high	109 Å²	109	41.5 Å²	41.5	58%	0.583	22%	0.221	S	C	*	.			trans	-58.8	129.7	-179.4	-60.9	-29.6	0	0	0	109.8	Q161 Q171	D159-Q161 PolarHBondContact O-N 3.26Å; D159-Q171 VanDerWaalsContact N-OE1 3.13Å; D159-Q171 PolarHBondContact O-NE2 3.07Å; D159-Q171 PolarHBondContact O-OE1 3.5Å
160	W	98.4	Very high	95.6	Very high	79 Å²	79	50.1 Å²	50.1	30%	0.299	25%	0.254	S	S	.	.			trans	-56.7	135.6	-176.5	-66.3	108.7	0	0	0	112.3	V140 Q142 F143 D146 N158 Y239	V140-W160 HydrophobicContact CG1-CH2 3.78Å; V140-W160 HydrophobicContact CG1-CZ3 3.53Å; Q142-W160 HydrophobicContact CB-CB 4.41Å; Q142-W160 HydrophobicContact CB-CE3 3.77Å; Q142-W160 HydrophobicContact CB-CZ3 4.46Å; Q142-W160 WeakPolarHBondContact O-CZ3 3.5Å; F143-W160 CarbonylContact O-C 3.51Å; F143-W160 VanDerWaalsContact O-CA 3.29Å; F143-W160 WeakPolarHBondContact O-CA 3.25Å; D146-W160 WeakPolarHBondContact OD1-CZ2 3.21Å; D146-W160 PolarHBondContact OD1-NE1 3.47Å; N158-W160 PolarHBondContact O-N 3.08Å; W160-Y239 AromaticContact CH2-CD2 3.75Å; W160-Y239 HydrophobicContact CH2-CD2 3.75Å; W160-Y239 HydrophobicContact CH2-CE2 4.29Å; W160-Y239 HydrophobicContact CZ3-CD2 4.15Å; W160-Y239 HydrophobicContact CZ3-CG 4.49Å
161	Q	98.5	Very high	95.8	Very high	64 Å²	64	50.1 Å²	50.1	30%	0.299	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-139.8	143	178.8	-66	-64.6	-55.3	0	0	110.7	Q142 F143 D159 F167	Q142-Q161 CarbonylContact C-O 3.56Å; Q142-Q161 WeakPolarHBondContact CA-O 3.33Å; Q142-Q161 WeakPolarHBondContact CB-O 3.3Å; F143-Q161 WeakPolarHBondContact CD2-O 3.47Å; F143-Q161 PolarHBondContact N-O 3.1Å; F143-Q161 PolarHBondContact O-N 2.84Å; D159-Q161 PolarHBondContact O-N 3.26Å; Q161-F167 HydrophobicContact CB-CB 3.96Å; Q161-F167 HydrophobicContact CB-CD2 4.02Å; Q161-F167 HydrophobicContact CB-CG 4.48Å; Q161-F167 HydrophobicContact CG-CB 4.17Å; Q161-F167 HydrophobicContact CG-CD2 3.85Å
162	E	97.8	Very high	96.1	Very high	157 Å²	157	50 Å²	50	73%	0.734	25%	0.251	S	S	*	.	S	Bend	trans	-78.6	-28	176.5	-63.2	177	-178.3	0	0	112.6	Q142 F143	Q142-E162 HydrophobicContact CG-CG 4.18Å; F143-E162 WeakPolarHBondContact CE2-O 3.32Å
163	D	98	Very high	96.8	Very high	77 Å²	77	48.9 Å²	48.9	41%	0.412	24%	0.239	S	C	.	.			trans	-108.2	123	-175.8	-178.4	-90.6	0	0	0	111.7	V165 V166 F167	D163-V165 VanDerWaalsContact C-N 3.33Å; D163-V165 PolarHBondContact O-N 2.87Å; D163-V165 WeakPolarHBondContact OD1-CA 3.41Å; D163-V165 VanDerWaalsContact OD1-CB 3.28Å; D163-V165 WeakPolarHBondContact OD1-CB 3.21Å; D163-V165 PolarHBondContact OD1-N 3.32Å; D163-V166 HydrophobicContact CB-CB 4.16Å; D163-V166 HydrophobicContact CB-CG2 4.11Å; D163-V166 PolarHBondContact O-N 3.48Å; D163-V166 WeakPolarHBondContact OD1-CG2 3.19Å; D163-V166 PolarHBondContact OD1-N 3.41Å; D163-F167 WeakPolarHBondContact O-CB 3.44Å; D163-F167 PolarHBondContact O-N 3.27Å
164	W	98.5	Very high	97.5	Very high	5 Å²	5	48 Å²	48	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-38.1	-179.1	170.9	-107.5	0	0	0	112.5	F143 F167 Y168 F204 I209 F238 H241 Y280	F143-W164 HydrophobicContact CB-CE3 4.22Å; F143-W164 HydrophobicContact CD1-CB 4.38Å; F143-W164 HydrophobicContact CD1-CD2 4.4Å; F143-W164 AromaticContact CD1-CE3 3.56Å; F143-W164 HydrophobicContact CD1-CE3 3.56Å; F143-W164 HydrophobicContact CD1-CZ3 4.27Å; F143-W164 HydrophobicContact CD2-CB 3.95Å; F143-W164 HydrophobicContact CE1-CB 4.01Å; F143-W164 HydrophobicContact CE1-CD2 4.46Å; F143-W164 HydrophobicContact CE1-CE3 4.03Å; F143-W164 HydrophobicContact CE1-CG 4.5Å; F143-W164 HydrophobicContact CE2-CB 3.58Å; F143-W164 VanDerWaalsContact CE2-N 3.26Å; F143-W164 HydrophobicContact CG-CB 4.34Å; F143-W164 AromaticContact CG-CE3 3.84Å; F143-W164 HydrophobicContact CG-CE3 3.84Å; F143-W164 HydrophobicContact CZ-CB 3.61Å; W164-F167 AromaticContact CE3-CD1 3.93Å; W164-F167 HydrophobicContact CE3-CD1 3.93Å; W164-F167 HydrophobicContact CH2-CD1 4.49Å; W164-F167 AromaticContact CZ3-CD1 3.6Å; W164-F167 HydrophobicContact CZ3-CD1 3.6Å; W164-F167 AromaticContact CZ3-CE1 4Å; W164-F167 HydrophobicContact CZ3-CE1 4Å; W164-F167 PolarHBondContact O-N 3.39Å; W164-Y168 AromaticContact CH2-CD2 3.94Å; W164-Y168 HydrophobicContact CH2-CD2 3.94Å; W164-Y168 AromaticContact CZ2-CD2 3.67Å; W164-Y168 HydrophobicContact CZ2-CD2 3.67Å; W164-Y168 HydrophobicContact CZ2-CG 4.05Å; W164-Y168 VanDerWaalsContact O-CB 3.26Å; W164-Y168 WeakPolarHBondContact O-CB 3.39Å; W164-Y168 PolarHBondContact O-N 2.99Å; W164-F204 AromaticContact CD1-CE1 3.78Å; W164-F204 AromaticContact NE1-CE1 3.51Å; W164-F204 AromaticContact NE1-CZ 3.72Å; W164-I209 HydrophobicContact CB-CB 4.44Å; W164-I209 HydrophobicContact CB-CD1 3.91Å; W164-I209 HydrophobicContact CB-CG2 4.22Å; W164-I209 HydrophobicContact CG-CD1 3.73Å; W164-I209 HydrophobicContact CG-CG2 4.19Å; W164-F238 AromaticContact CH2-CE2 3.93Å; W164-F238 HydrophobicContact CH2-CE2 3.93Å; W164-F238 AromaticContact CZ3-CE2 3.98Å; W164-F238 HydrophobicContact CZ3-CE2 3.98Å; W164-H241 HydrophobicContact CD2-CB 3.81Å; W164-H241 HydrophobicContact CE3-CB 4.41Å; W164-H241 HydrophobicContact CG-CB 4.27Å; W164-H241 HydrophobicContact CH2-CB 4.13Å; W164-H241 VanDerWaalsContact CH2-N 3.33Å; W164-H241 HydrophobicContact CZ2-CB 3.49Å; W164-H241 VanDerWaalsContact CZ2-CB 3.49Å; W164-H241 VanDerWaalsContact CZ3-N 3.34Å; W164-Y280 AromaticContact CZ2-CE1 3.62Å; W164-Y280 HydrophobicContact CZ2-CE1 3.62Å; W164-Y280 AromaticContact CZ2-CZ 3.89Å; W164-Y280 WeakPolarHBondContact CZ2-OH 3.44Å; W164-Y280 PolarHBondContact NE1-OH 2.78Å
165	V	98.1	Very high	97.8	Very high	25 Å²	25	48.1 Å²	48.1	15%	0.152	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-43.4	-176.2	175.8	0	0	0	0	110	D163 A169 I200 P201 F204	D163-V165 VanDerWaalsContact C-N 3.33Å; D163-V165 PolarHBondContact O-N 2.87Å; D163-V165 WeakPolarHBondContact OD1-CA 3.41Å; D163-V165 VanDerWaalsContact OD1-CB 3.28Å; D163-V165 WeakPolarHBondContact OD1-CB 3.21Å; D163-V165 PolarHBondContact OD1-N 3.32Å; V165-A169 VanDerWaalsContact O-CB 3.23Å; V165-A169 WeakPolarHBondContact O-CB 3.48Å; V165-A169 PolarHBondContact O-N 3.18Å; V165-I200 HydrophobicContact CG1-CG2 3.79Å; V165-P201 HydrophobicContact CG1-CG 4.24Å; V165-F204 HydrophobicContact CG2-CB 3.77Å; V165-F204 HydrophobicContact CG2-CD2 3.7Å; V165-F204 HydrophobicContact CG2-CG 3.83Å
166	V	97.9	Very high	97.9	Very high	48 Å²	48	45.1 Å²	45.1	29%	0.291	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-49.9	173.1	173.7	0	0	0	0	110.4	D163 Y168 R170	D163-V166 HydrophobicContact CB-CB 4.16Å; D163-V166 HydrophobicContact CB-CG2 4.11Å; D163-V166 PolarHBondContact O-N 3.48Å; D163-V166 WeakPolarHBondContact OD1-CG2 3.19Å; D163-V166 PolarHBondContact OD1-N 3.41Å; V166-Y168 PolarHBondContact O-N 2.99Å; V166-R170 HydrophobicContact CG1-CG 4.46Å; V166-R170 VanDerWaalsContact O-CB 3.28Å; V166-R170 WeakPolarHBondContact O-CB 3.44Å; V166-R170 WeakPolarHBondContact O-CG 3.33Å; V166-R170 PolarHBondContact O-N 2.82Å
167	F	98.6	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.3	-53	177.8	-178	-93.3	0	0	0	111.2	F143 Q161 D163 W164 Q171 R172 F238	F143-F167 HydrophobicContact CB-CB 4.1Å; F143-F167 HydrophobicContact CB-CD1 4.16Å; F143-F167 HydrophobicContact CB-CD2 4.04Å; F143-F167 HydrophobicContact CB-CG 3.82Å; Q161-F167 HydrophobicContact CB-CB 3.96Å; Q161-F167 HydrophobicContact CB-CD2 4.02Å; Q161-F167 HydrophobicContact CB-CG 4.48Å; Q161-F167 HydrophobicContact CG-CB 4.17Å; Q161-F167 HydrophobicContact CG-CD2 3.85Å; D163-F167 WeakPolarHBondContact O-CB 3.44Å; D163-F167 PolarHBondContact O-N 3.27Å; W164-F167 AromaticContact CE3-CD1 3.93Å; W164-F167 HydrophobicContact CE3-CD1 3.93Å; W164-F167 HydrophobicContact CH2-CD1 4.49Å; W164-F167 AromaticContact CZ3-CD1 3.6Å; W164-F167 HydrophobicContact CZ3-CD1 3.6Å; W164-F167 AromaticContact CZ3-CE1 4Å; W164-F167 HydrophobicContact CZ3-CE1 4Å; W164-F167 PolarHBondContact O-N 3.39Å; F167-Q171 HydrophobicContact CD2-CB 4.44Å; F167-Q171 HydrophobicContact CD2-CG 4.46Å; F167-Q171 HydrophobicContact CE2-CB 4.44Å; F167-Q171 VanDerWaalsContact CE2-OE1 3.22Å; F167-Q171 WeakPolarHBondContact O-CA 3.44Å; F167-Q171 WeakPolarHBondContact O-CB 3.47Å; F167-Q171 PolarHBondContact O-N 3.36Å; F167-R172 HydrophobicContact CE1-CG 4.4Å; F167-F238 AromaticContact CE1-CD2 3.73Å; F167-F238 HydrophobicContact CE1-CD2 3.73Å; F167-F238 AromaticContact CE1-CE2 3.84Å; F167-F238 HydrophobicContact CE1-CE2 3.84Å; F167-F238 HydrophobicContact CZ-CD2 4.05Å
168	Y	98.5	Very high	98.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.9	-46.8	-175.8	-172.3	-100.9	0	0	0	112.2	W164 V166 R172 I173 Y244 L279 Y280 F283	W164-Y168 AromaticContact CH2-CD2 3.94Å; W164-Y168 HydrophobicContact CH2-CD2 3.94Å; W164-Y168 AromaticContact CZ2-CD2 3.67Å; W164-Y168 HydrophobicContact CZ2-CD2 3.67Å; W164-Y168 HydrophobicContact CZ2-CG 4.05Å; W164-Y168 VanDerWaalsContact O-CB 3.26Å; W164-Y168 WeakPolarHBondContact O-CB 3.39Å; W164-Y168 PolarHBondContact O-N 2.99Å; V166-Y168 PolarHBondContact O-N 2.99Å; Y168-R172 HydrophobicContact CD2-CB 3.85Å; Y168-R172 HydrophobicContact CD2-CG 3.84Å; Y168-R172 HydrophobicContact CE2-CB 3.9Å; Y168-R172 HydrophobicContact CE2-CG 4.15Å; Y168-R172 HydrophobicContact CG-CB 4.48Å; Y168-R172 WeakPolarHBondContact O-CA 3.35Å; Y168-R172 VanDerWaalsContact O-CB 3.27Å; Y168-R172 WeakPolarHBondContact O-CB 3.32Å; Y168-R172 PolarHBondContact O-N 2.87Å; Y168-R172 VanDerWaalsContact O-N 3.13Å; Y168-I173 HydrophobicContact CD1-CG1 4.22Å; Y168-I173 HydrophobicContact CE1-CD1 4.01Å; Y168-I173 HydrophobicContact CE1-CG1 3.62Å; Y168-I173 PolarHBondContact O-N 2.86Å; Y168-I173 VanDerWaalsContact O-N 3.09Å; Y168-Y244 HydrophobicContact CD2-CD2 4.44Å; Y168-Y244 AromaticContact CE2-CD2 3.79Å; Y168-Y244 HydrophobicContact CE2-CD2 3.79Å; Y168-Y244 AromaticContact CE2-CE2 3.94Å; Y168-Y244 HydrophobicContact CE2-CE2 3.94Å; Y168-L279 HydrophobicContact CD1-CD2 4.26Å; Y168-L279 HydrophobicContact CE1-CD1 4.15Å; Y168-L279 HydrophobicContact CE1-CD2 3.92Å; Y168-L279 HydrophobicContact CE1-CG 3.71Å; Y168-L279 PolarHBondContact OH-O 3.26Å; Y168-Y280 HydrophobicContact CD1-CE1 4.38Å; Y168-Y280 HydrophobicContact CD2-CD1 4.24Å; Y168-Y280 AromaticContact CD2-CE1 3.89Å; Y168-Y280 HydrophobicContact CD2-CE1 3.89Å; Y168-Y280 HydrophobicContact CE1-CD1 4.15Å; Y168-Y280 HydrophobicContact CE1-CE1 4.15Å; Y168-Y280 AromaticContact CE2-CD1 3.52Å; Y168-Y280 HydrophobicContact CE2-CD1 3.52Å; Y168-Y280 AromaticContact CE2-CE1 3.65Å; Y168-Y280 HydrophobicContact CE2-CE1 3.65Å; Y168-Y280 HydrophobicContact CG-CE1 4.26Å; Y168-Y280 AromaticContact CZ-CD1 3.46Å; Y168-Y280 VanDerWaalsContact CZ-CD1 3.46Å; Y168-Y280 AromaticContact CZ-CE1 3.78Å; Y168-Y280 WeakPolarHBondContact OH-CA 3.49Å; Y168-Y280 WeakPolarHBondContact OH-CD1 3.45Å; Y168-F283 WeakPolarHBondContact OH-CB 3.29Å
169	A	98.1	Very high	98.1	Very high	16 Å²	16	47.2 Å²	47.2	13%	0.132	23%	0.228	C	C	.	.	I	π-helix	trans	-65.2	-45.6	-179.5	0	0	0	0	0	112	V165 Q174 W193 I200	V165-A169 VanDerWaalsContact O-CB 3.23Å; V165-A169 WeakPolarHBondContact O-CB 3.48Å; V165-A169 PolarHBondContact O-N 3.18Å; A169-Q174 WeakPolarHBondContact O-CB 3.4Å; A169-Q174 PolarHBondContact O-N 3.49Å; A169-W193 HydrophobicContact CB-CH2 4.49Å; A169-I200 HydrophobicContact CB-CD1 4.47Å
170	R	97.9	Very high	98	Very high	182 Å²	182	42 Å²	42	69%	0.687	20%	0.201	S	C	*	.	I	π-helix	trans	-87.6	-31.6	-173	-62.8	-170.2	177.5	-170.5	-2	114.5	V166 P175	V166-R170 HydrophobicContact CG1-CG 4.46Å; V166-R170 VanDerWaalsContact O-CB 3.28Å; V166-R170 WeakPolarHBondContact O-CB 3.44Å; V166-R170 WeakPolarHBondContact O-CG 3.33Å; V166-R170 PolarHBondContact O-N 2.82Å; R170-P175 WeakPolarHBondContact O-CD 3.15Å
171	Q	98.1	Very high	98	Very high	17 Å²	17	43.4 Å²	43.4	8%	0.079	21%	0.211	C	C	.	.	I	π-helix	trans	-111.5	-6.2	-173.4	-55.4	-170.3	23.5	0	0	113.8	V157 D159 F167	V157-Q171 HydrophobicContact CB-CB 4.03Å; V157-Q171 HydrophobicContact CB-CG 4.35Å; V157-Q171 HydrophobicContact CG1-CB 4.22Å; V157-Q171 HydrophobicContact CG1-CG 3.99Å; V157-Q171 PolarHBondContact O-OE1 3.13Å; D159-Q171 VanDerWaalsContact N-OE1 3.13Å; D159-Q171 PolarHBondContact O-NE2 3.07Å; D159-Q171 PolarHBondContact O-OE1 3.5Å; F167-Q171 HydrophobicContact CD2-CB 4.44Å; F167-Q171 HydrophobicContact CD2-CG 4.46Å; F167-Q171 HydrophobicContact CE2-CB 4.44Å; F167-Q171 VanDerWaalsContact CE2-OE1 3.22Å; F167-Q171 WeakPolarHBondContact O-CA 3.44Å; F167-Q171 WeakPolarHBondContact O-CB 3.47Å; F167-Q171 PolarHBondContact O-N 3.36Å
172	R	97.9	Very high	97.9	Very high	2 Å²	2	49 Å²	49	1%	0.008	23%	0.234	C	C	.	.	I	π-helix	trans	-113.6	-58.6	170.8	-63.7	-72.4	176.2	-83.3	7	112.3	V157 N158 F167 Y168 Q176 F283	V157-R172 PolarHBondContact O-NH1 3.44Å; N158-R172 PolarHBondContact OD1-NH2 2.94Å; F167-R172 HydrophobicContact CE1-CG 4.4Å; Y168-R172 HydrophobicContact CD2-CB 3.85Å; Y168-R172 HydrophobicContact CD2-CG 3.84Å; Y168-R172 HydrophobicContact CE2-CB 3.9Å; Y168-R172 HydrophobicContact CE2-CG 4.15Å; Y168-R172 HydrophobicContact CG-CB 4.48Å; Y168-R172 WeakPolarHBondContact O-CA 3.35Å; Y168-R172 VanDerWaalsContact O-CB 3.27Å; Y168-R172 WeakPolarHBondContact O-CB 3.32Å; Y168-R172 PolarHBondContact O-N 2.87Å; Y168-R172 VanDerWaalsContact O-N 3.13Å; R172-Q176 VanDerWaalsContact O-CG 3.32Å; R172-Q176 WeakPolarHBondContact O-CG 3.43Å; R172-F283 HydrophobicContact CB-CD2 3.8Å; R172-F283 HydrophobicContact CB-CE2 3.99Å; R172-F283 WeakPolarHBondContact O-CD2 3.27Å; R172-F283 WeakPolarHBondContact O-CE2 3.39Å
173	I	98.3	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	I	π-helix	trans	-80.1	-47.7	-174	-57.3	-66.4	0	0	0	112.4	Y168 Q176 M177 W193 L282 F283 L286	Y168-I173 HydrophobicContact CD1-CG1 4.22Å; Y168-I173 HydrophobicContact CE1-CD1 4.01Å; Y168-I173 HydrophobicContact CE1-CG1 3.62Å; Y168-I173 PolarHBondContact O-N 2.86Å; Y168-I173 VanDerWaalsContact O-N 3.09Å; I173-Q176 WeakPolarHBondContact O-CB 3.43Å; I173-Q176 PolarHBondContact O-N 3.45Å; I173-M177 HydrophobicContact CG2-CG 3.98Å; I173-M177 PolarHBondContact O-N 2.76Å; I173-W193 HydrophobicContact CB-CH2 3.63Å; I173-W193 HydrophobicContact CB-CZ2 4.23Å; I173-W193 HydrophobicContact CB-CZ3 3.96Å; I173-W193 HydrophobicContact CG1-CH2 4.49Å; I173-W193 HydrophobicContact CG2-CD2 4.24Å; I173-W193 HydrophobicContact CG2-CE3 3.72Å; I173-W193 HydrophobicContact CG2-CH2 3.34Å; I173-W193 HydrophobicContact CG2-CZ2 3.87Å; I173-W193 HydrophobicContact CG2-CZ3 3.25Å; I173-L282 HydrophobicContact CD1-CG 4.49Å; I173-F283 HydrophobicContact CD1-CB 3.68Å; I173-F283 HydrophobicContact CD1-CD2 4.41Å; I173-L286 HydrophobicContact CD1-CD1 4.33Å; I173-L286 HydrophobicContact CG2-CD1 4.06Å
174	Q	98.2	Very high	97.5	Very high	50 Å²	50	47.2 Å²	47.2	23%	0.234	23%	0.23	C	C	.	.	H	α-helix	trans	-54.4	-46.6	-176.7	-173.3	68	55.3	0	0	113.2	A169 Q176 M177 D178 W193	A169-Q174 WeakPolarHBondContact O-CB 3.4Å; A169-Q174 PolarHBondContact O-N 3.49Å; Q174-Q176 PolarHBondContact O-N 2.85Å; Q174-M177 CarbonylContact O-C 3.32Å; Q174-M177 WeakPolarHBondContact O-CA 3.33Å; Q174-M177 WeakPolarHBondContact O-CB 3.43Å; Q174-M177 PolarHBondContact O-N 3.36Å; Q174-D178 PolarHBondContact NE2-OD1 2.69Å; Q174-D178 PolarHBondContact O-N 3.18Å; Q174-W193 HydrophobicContact CB-CZ2 4.35Å
175	P	97.9	Very high	97.3	Very high	34 Å²	34	48.8 Å²	48.8	22%	0.221	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-33.8	179.1	-23.7	36	0	0	0	112.8	V157 R170 D178 M179	V157-P175 HydrophobicContact CG2-CG 4.4Å; R170-P175 WeakPolarHBondContact O-CD 3.15Å; P175-D178 PolarHBondContact O-N 2.77Å; P175-M179 WeakPolarHBondContact O-CE 3.43Å; P175-M179 PolarHBondContact O-N 3.37Å
176	Q	98	Very high	97.2	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-68.9	-37.8	175.6	-61.9	-70.2	-22.5	0	0	111.6	R172 I173 Q174 M179 V180 F283 L286 N287 N290	R172-Q176 VanDerWaalsContact O-CG 3.32Å; R172-Q176 WeakPolarHBondContact O-CG 3.43Å; I173-Q176 WeakPolarHBondContact O-CB 3.43Å; I173-Q176 PolarHBondContact O-N 3.45Å; Q174-Q176 PolarHBondContact O-N 2.85Å; Q176-M179 HydrophobicContact CG-CE 4.47Å; Q176-M179 PolarHBondContact O-N 3.24Å; Q176-V180 WeakPolarHBondContact O-CG2 3.35Å; Q176-V180 PolarHBondContact O-N 3.31Å; Q176-V180 VanDerWaalsContact O-N 3.09Å; Q176-F283 HydrophobicContact CG-CD2 4.11Å; Q176-F283 HydrophobicContact CG-CE2 3.98Å; Q176-L286 HydrophobicContact CB-CB 3.84Å; Q176-L286 HydrophobicContact CB-CD1 4.22Å; Q176-L286 HydrophobicContact CG-CB 4.38Å; Q176-N287 PolarHBondContact NE2-OD1 2.85Å; Q176-N287 VanDerWaalsContact NE2-OD1 3.16Å; Q176-N287 VanDerWaalsContact OE1-CA 3.25Å; Q176-N290 PolarHBondContact O-ND2 3.38Å; Q176-N290 PolarHBondContact OE1-ND2 3.48Å
177	M	98.2	Very high	97.2	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-69.6	-37.7	174.8	-67.7	-58.6	-49	0	0	112.3	I173 Q174 M179 V180 E181 A189 L190 W193 L286 M304	I173-M177 HydrophobicContact CG2-CG 3.98Å; I173-M177 PolarHBondContact O-N 2.76Å; Q174-M177 CarbonylContact O-C 3.32Å; Q174-M177 WeakPolarHBondContact O-CA 3.33Å; Q174-M177 WeakPolarHBondContact O-CB 3.43Å; Q174-M177 PolarHBondContact O-N 3.36Å; M177-M179 VanDerWaalsContact C-N 3.27Å; M177-M179 PolarHBondContact O-N 3.49Å; M177-V180 PolarHBondContact O-N 2.78Å; M177-E181 PolarHBondContact O-N 3.09Å; M177-A189 HydrophobicContact CE-CB 3.93Å; M177-L190 HydrophobicContact CE-CD2 4.19Å; M177-W193 HydrophobicContact CB-CG 4.42Å; M177-W193 HydrophobicContact CE-CB 3.69Å; M177-W193 HydrophobicContact CE-CG 4.08Å; M177-W193 HydrophobicContact CG-CB 4.34Å; M177-W193 HydrophobicContact CG-CD2 3.88Å; M177-W193 HydrophobicContact CG-CE3 4.49Å; M177-W193 HydrophobicContact CG-CG 3.77Å; M177-W193 HydrophobicContact SD-CB 4.26Å; M177-W193 HydrophobicContact SD-CG 4.32Å; M177-L286 HydrophobicContact CG-CD1 4.49Å; M177-L286 HydrophobicContact SD-CD1 3.95Å; M177-L286 HydrophobicContact SD-CD2 3.93Å; M177-M304 HydrophobicContact CE-CE 4.43Å; M177-M304 HydrophobicContact SD-CE 4.25Å
178	D	97.9	Very high	97.2	Very high	75 Å²	75	59.6 Å²	59.6	40%	0.401	29%	0.285	S	S	.	.	H	α-helix	trans	-61.1	-38.8	175.5	-61.7	-18.9	0	0	0	110.8	Q174 P175 K182	Q174-D178 PolarHBondContact NE2-OD1 2.69Å; Q174-D178 PolarHBondContact O-N 3.18Å; P175-D178 PolarHBondContact O-N 2.77Å; D178-K182 VanDerWaalsContact O-CB 3.26Å; D178-K182 WeakPolarHBondContact O-CB 3.39Å; D178-K182 PolarHBondContact O-N 2.97Å
179	M	97.2	Very high	97.2	Very high	40 Å²	40	59.6 Å²	59.6	20%	0.197	29%	0.285	C	S	.	.	H	α-helix	trans	-66.7	-44.9	173	-72.5	-176.5	-71.9	0	0	111.9	L154 P175 Q176 M177 E181 K182 E183 N290	L154-M179 HydrophobicContact CD1-CE 3.81Å; L154-M179 HydrophobicContact CD1-SD 4.07Å; L154-M179 HydrophobicContact CD2-CE 4.2Å; L154-M179 HydrophobicContact CD2-SD 3.58Å; L154-M179 VanDerWaalsContact CD2-SD 3.58Å; L154-M179 HydrophobicContact CG-CE 4.47Å; L154-M179 HydrophobicContact CG-SD 4.41Å; P175-M179 WeakPolarHBondContact O-CE 3.43Å; P175-M179 PolarHBondContact O-N 3.37Å; Q176-M179 HydrophobicContact CG-CE 4.47Å; Q176-M179 PolarHBondContact O-N 3.24Å; M177-M179 VanDerWaalsContact C-N 3.27Å; M177-M179 PolarHBondContact O-N 3.49Å; M179-E181 VanDerWaalsContact C-N 3.3Å; M179-E181 PolarHBondContact O-N 3.44Å; M179-K182 PolarHBondContact O-N 3.11Å; M179-E183 WeakPolarHBondContact O-CB 3.21Å; M179-E183 WeakPolarHBondContact O-CG 3.34Å; M179-E183 PolarHBondContact O-N 3Å; M179-N290 HydrophobicContact CE-CB 4.4Å
180	V	96.6	Very high	97.2	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-43.5	175.2	168.3	0	0	0	0	111.2	Q176 M177 S184 G185 D186 A189 L286 W289 N290	Q176-V180 WeakPolarHBondContact O-CG2 3.35Å; Q176-V180 PolarHBondContact O-N 3.31Å; Q176-V180 VanDerWaalsContact O-N 3.09Å; M177-V180 PolarHBondContact O-N 2.78Å; V180-S184 PolarHBondContact O-N 3.32Å; V180-S184 PolarHBondContact O-OG 2.81Å; V180-G185 PolarHBondContact O-N 3.21Å; V180-G185 VanDerWaalsContact O-N 3.12Å; V180-D186 HydrophobicContact CG1-CB 4.02Å; V180-A189 HydrophobicContact CG1-CB 4.09Å; V180-L286 HydrophobicContact CG2-CD2 4.3Å; V180-W289 HydrophobicContact CG1-CH2 3.56Å; V180-W289 HydrophobicContact CG1-CZ2 3.9Å; V180-W289 HydrophobicContact CG1-CZ3 3.98Å; V180-W289 HydrophobicContact CG2-CD2 4.13Å; V180-W289 HydrophobicContact CG2-CE3 3.98Å; V180-W289 HydrophobicContact CG2-CH2 4.32Å; V180-W289 HydrophobicContact CG2-CZ2 4.46Å; V180-W289 HydrophobicContact CG2-CZ3 4.08Å; V180-N290 WeakPolarHBondContact CG2-OD1 3.49Å
181	E	97.1	Very high	97.2	Very high	107 Å²	107	59.2 Å²	59.2	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-52.1	176	-173.6	168.9	-161.3	0	0	111.1	M177 M179 E183 G185 L190	M177-E181 PolarHBondContact O-N 3.09Å; M179-E181 VanDerWaalsContact C-N 3.3Å; M179-E181 PolarHBondContact O-N 3.44Å; E181-E183 PolarHBondContact O-N 3.49Å; E181-G185 VanDerWaalsContact O-CA 3.27Å; E181-G185 WeakPolarHBondContact O-CA 3.48Å; E181-G185 PolarHBondContact O-N 3.37Å; E181-L190 HydrophobicContact CB-CD2 3.92Å; E181-L190 HydrophobicContact CG-CD1 4.09Å; E181-L190 HydrophobicContact CG-CD2 4.19Å
182	K	96.9	Very high	97.2	Very high	183 Å²	183	59.5 Å²	59.5	80%	0.796	29%	0.291	S	S	*	.	H	α-helix	trans	-64.1	-41.3	-176.4	-178.3	-177.3	174.5	-172	0	112.8	D178 M179	D178-K182 VanDerWaalsContact O-CB 3.26Å; D178-K182 WeakPolarHBondContact O-CB 3.39Å; D178-K182 PolarHBondContact O-N 2.97Å; M179-K182 PolarHBondContact O-N 3.11Å
183	E	93.9	Very high	97.2	Very high	134 Å²	134	59.8 Å²	59.8	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-90.9	-35.6	-171.4	-65.9	-173.7	-178	0	0	113.3	M179 E181	M179-E183 WeakPolarHBondContact O-CB 3.21Å; M179-E183 WeakPolarHBondContact O-CG 3.34Å; M179-E183 PolarHBondContact O-N 3Å; E181-E183 PolarHBondContact O-N 3.49Å
184	S	93.3	Very high	97.2	Very high	62 Å²	62	63.1 Å²	63.1	43%	0.434	32%	0.315	S	S	.	.	H	α-helix	trans	-121.5	-22.7	-173.8	72.8	0	0	0	0	114.4	V180 D186	V180-S184 PolarHBondContact O-N 3.32Å; V180-S184 PolarHBondContact O-OG 2.81Å; S184-D186 PolarHBondContact O-N 3.42Å; S184-D186 PolarHBondContact OG-N 3.21Å
185	G	94.1	Very high	97.2	Very high	37 Å²	37	62.4 Å²	62.4	38%	0.381	32%	0.318	S	S	.	.			trans	58.3	32.4	-174.6	0	0	0	0	0	113.2	V180 E181 R187	V180-G185 PolarHBondContact O-N 3.21Å; V180-G185 VanDerWaalsContact O-N 3.12Å; E181-G185 VanDerWaalsContact O-CA 3.27Å; E181-G185 WeakPolarHBondContact O-CA 3.48Å; E181-G185 PolarHBondContact O-N 3.37Å; G185-R187 PolarHBondContact O-N 2.93Å
186	D	97.3	Very high	97.1	Very high	23 Å²	23	60.8 Å²	60.8	12%	0.123	31%	0.308	C	S	.	.			trans	-65.8	100.4	-172.2	-165.6	-79.7	0	0	0	112.6	V180 S184 E188 A189 L190 W289 R297	V180-D186 HydrophobicContact CG1-CB 4.02Å; S184-D186 PolarHBondContact O-N 3.42Å; S184-D186 PolarHBondContact OG-N 3.21Å; D186-E188 VanDerWaalsContact C-N 3.27Å; D186-E188 PolarHBondContact O-N 3.07Å; D186-E188 PolarHBondContact OD1-N 2.77Å; D186-A189 HydrophobicContact CB-CB 3.93Å; D186-A189 PolarHBondContact O-N 3.35Å; D186-A189 WeakPolarHBondContact OD1-CB 3.35Å; D186-A189 PolarHBondContact OD1-N 3.28Å; D186-L190 WeakPolarHBondContact O-CG 3.23Å; D186-L190 PolarHBondContact O-N 3.43Å; D186-L190 VanDerWaalsContact O-N 3.1Å; D186-W289 HydrophobicContact CB-CH2 3.79Å; D186-W289 HydrophobicContact CB-CZ2 4.13Å; D186-R297 IonicContact OD1-CZ 2.72Å; D186-R297 IonicContact OD1-NE 3.26Å; D186-R297 IonicContact OD1-NH2 3.95Å; D186-R297 PolarHBondContact OD1-NH2 3.46Å; D186-R297 VanDerWaalsContact OD1-NH2 3.11Å; D186-R297 IonicContact OD2-CZ 3.11Å; D186-R297 IonicContact OD2-NE 3.93Å; D186-R297 PolarHBondContact OD2-NE 2.82Å; D186-R297 IonicContact OD2-NH2 2.64Å; D186-R297 PolarHBondContact OD2-NH2 2.95Å
187	R	97.5	Very high	97.1	Very high	217 Å²	217	64 Å²	64	82%	0.819	32%	0.323	S	S	*	.	H	α-helix	trans	-59	-36.7	-174.2	-66.5	-175.6	176.1	-179.3	-1.4	113.6	G185 Q191	G185-R187 PolarHBondContact O-N 2.93Å; R187-Q191 WeakPolarHBondContact O-CB 3.48Å; R187-Q191 PolarHBondContact O-N 3.09Å
188	E	98	Very high	97	Very high	60 Å²	60	70.5 Å²	70.5	28%	0.28	36%	0.357	S	S	.	.	H	α-helix	trans	-70.6	-43.6	-179.1	-172.8	178.4	-168.3	0	0	110.7	D186 L190 Q191 L192 R297 L301 R305	D186-E188 VanDerWaalsContact C-N 3.27Å; D186-E188 PolarHBondContact O-N 3.07Å; D186-E188 PolarHBondContact OD1-N 2.77Å; E188-L190 VanDerWaalsContact C-N 3.31Å; E188-L190 PolarHBondContact O-N 3.34Å; E188-Q191 PolarHBondContact O-N 2.95Å; E188-L192 HydrophobicContact CG-CD1 3.93Å; E188-L192 HydrophobicContact CG-CG 4.39Å; E188-L192 WeakPolarHBondContact O-CB 3.28Å; E188-L192 WeakPolarHBondContact O-CG 3.16Å; E188-L192 PolarHBondContact O-N 3.42Å; E188-R297 IonicContact OE2-NH2 2.69Å; E188-L301 HydrophobicContact CG-CD2 4.31Å; E188-R305 IonicContact OE1-CZ 2.71Å; E188-R305 IonicContact OE1-NE 3.38Å; E188-R305 PolarHBondContact OE1-NE 3.43Å; E188-R305 IonicContact OE1-NH2 3.16Å; E188-R305 PolarHBondContact OE1-NH2 2.75Å; E188-R305 IonicContact OE2-NH2 2.64Å; E188-R305 PolarHBondContact OE2-NH2 2.96Å
189	A	97.9	Very high	96.9	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-57.4	-45.6	175.1	0	0	0	0	0	111.2	M177 V180 D186 L192 W193 W289 L301 M304	M177-A189 HydrophobicContact CE-CB 3.93Å; V180-A189 HydrophobicContact CG1-CB 4.09Å; D186-A189 HydrophobicContact CB-CB 3.93Å; D186-A189 PolarHBondContact O-N 3.35Å; D186-A189 WeakPolarHBondContact OD1-CB 3.35Å; D186-A189 PolarHBondContact OD1-N 3.28Å; A189-L192 PolarHBondContact O-N 3.21Å; A189-W193 VanDerWaalsContact O-CB 3.29Å; A189-W193 WeakPolarHBondContact O-CB 3.11Å; A189-W193 PolarHBondContact O-N 2.79Å; A189-W289 HydrophobicContact CB-CH2 4.17Å; A189-W289 HydrophobicContact CB-CZ3 4.27Å; A189-L301 HydrophobicContact CB-CD2 3.81Å; A189-M304 WeakPolarHBondContact O-CE 3.4Å
190	L	98.1	Very high	96.9	Very high	43 Å²	43	69.4 Å²	69.4	23%	0.225	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-42.7	-180	-62.3	172.6	0	0	0	112.7	M177 E181 D186 E188 W193 S194	M177-L190 HydrophobicContact CE-CD2 4.19Å; E181-L190 HydrophobicContact CB-CD2 3.92Å; E181-L190 HydrophobicContact CG-CD1 4.09Å; E181-L190 HydrophobicContact CG-CD2 4.19Å; D186-L190 WeakPolarHBondContact O-CG 3.23Å; D186-L190 PolarHBondContact O-N 3.43Å; D186-L190 VanDerWaalsContact O-N 3.1Å; E188-L190 VanDerWaalsContact C-N 3.31Å; E188-L190 PolarHBondContact O-N 3.34Å; L190-W193 PolarHBondContact O-N 2.89Å; L190-S194 PolarHBondContact O-N 3.4Å; L190-S194 PolarHBondContact O-OG 3.31Å
191	Q	98.3	Very high	97	Very high	147 Å²	147	72.5 Å²	72.5	69%	0.687	37%	0.367	S	S	*	.	H	α-helix	trans	-63.7	-46.3	176.2	-175	-179.3	9	0	0	111.6	R187 E188 W193 S194 A195	R187-Q191 WeakPolarHBondContact O-CB 3.48Å; R187-Q191 PolarHBondContact O-N 3.09Å; E188-Q191 PolarHBondContact O-N 2.95Å; Q191-W193 VanDerWaalsContact C-N 3.32Å; Q191-W193 PolarHBondContact O-N 2.81Å; Q191-S194 PolarHBondContact O-N 2.85Å; Q191-A195 PolarHBondContact O-N 3.47Å
192	L	98.4	Very high	97	Very high	23 Å²	23	71.3 Å²	71.3	12%	0.12	36%	0.364	C	S	.	.	H	α-helix	trans	-66.2	-35.9	178.2	-72.4	172.1	0	0	0	111.8	E188 A189 A195 L196 L301 M304 R305 V308	E188-L192 HydrophobicContact CG-CD1 3.93Å; E188-L192 HydrophobicContact CG-CG 4.39Å; E188-L192 WeakPolarHBondContact O-CB 3.28Å; E188-L192 WeakPolarHBondContact O-CG 3.16Å; E188-L192 PolarHBondContact O-N 3.42Å; A189-L192 PolarHBondContact O-N 3.21Å; L192-A195 PolarHBondContact O-N 2.89Å; L192-L196 WeakPolarHBondContact O-CB 3.26Å; L192-L196 PolarHBondContact O-N 2.88Å; L192-L301 HydrophobicContact CD1-CD2 3.9Å; L192-M304 HydrophobicContact CB-CB 3.94Å; L192-M304 HydrophobicContact CB-CE 3.78Å; L192-M304 HydrophobicContact CB-SD 4.36Å; L192-M304 HydrophobicContact CD1-CB 3.97Å; L192-M304 HydrophobicContact CG-CB 4.47Å; L192-R305 HydrophobicContact CD1-CG 3.67Å; L192-R305 HydrophobicContact CD2-CG 3.93Å; L192-R305 HydrophobicContact CG-CG 4.49Å; L192-V308 HydrophobicContact CD2-CG2 4.39Å
193	W	98.1	Very high	97	Very high	8 Å²	8	63.9 Å²	63.9	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-62.7	-46.7	176.5	175.6	-129.5	0	0	0	111.1	A169 I173 Q174 M177 A189 L190 Q191 A195 L196 Q197 I200 M304	A169-W193 HydrophobicContact CB-CH2 4.49Å; I173-W193 HydrophobicContact CB-CH2 3.63Å; I173-W193 HydrophobicContact CB-CZ2 4.23Å; I173-W193 HydrophobicContact CB-CZ3 3.96Å; I173-W193 HydrophobicContact CG1-CH2 4.49Å; I173-W193 HydrophobicContact CG2-CD2 4.24Å; I173-W193 HydrophobicContact CG2-CE3 3.72Å; I173-W193 HydrophobicContact CG2-CH2 3.34Å; I173-W193 HydrophobicContact CG2-CZ2 3.87Å; I173-W193 HydrophobicContact CG2-CZ3 3.25Å; Q174-W193 HydrophobicContact CB-CZ2 4.35Å; M177-W193 HydrophobicContact CB-CG 4.42Å; M177-W193 HydrophobicContact CE-CB 3.69Å; M177-W193 HydrophobicContact CE-CG 4.08Å; M177-W193 HydrophobicContact CG-CB 4.34Å; M177-W193 HydrophobicContact CG-CD2 3.88Å; M177-W193 HydrophobicContact CG-CE3 4.49Å; M177-W193 HydrophobicContact CG-CG 3.77Å; M177-W193 HydrophobicContact SD-CB 4.26Å; M177-W193 HydrophobicContact SD-CG 4.32Å; A189-W193 VanDerWaalsContact O-CB 3.29Å; A189-W193 WeakPolarHBondContact O-CB 3.11Å; A189-W193 PolarHBondContact O-N 2.79Å; L190-W193 PolarHBondContact O-N 2.89Å; Q191-W193 VanDerWaalsContact C-N 3.32Å; Q191-W193 PolarHBondContact O-N 2.81Å; W193-A195 VanDerWaalsContact C-N 3.27Å; W193-A195 PolarHBondContact O-N 3.32Å; W193-L196 HydrophobicContact CE3-CB 4.37Å; W193-L196 HydrophobicContact CE3-CD2 4.39Å; W193-L196 HydrophobicContact CZ3-CD2 4.48Å; W193-L196 PolarHBondContact O-N 3.29Å; W193-L196 VanDerWaalsContact O-N 3.08Å; W193-Q197 HydrophobicContact CD2-CG 3.71Å; W193-Q197 VanDerWaalsContact CE2-CG 3.41Å; W193-Q197 HydrophobicContact CE3-CG 3.91Å; W193-Q197 HydrophobicContact CG-CG 4.44Å; W193-Q197 HydrophobicContact CH2-CG 3.56Å; W193-Q197 HydrophobicContact CZ2-CG 3.37Å; W193-Q197 HydrophobicContact CZ3-CG 3.82Å; W193-Q197 WeakPolarHBondContact O-CG 2.93Å; W193-Q197 PolarHBondContact O-N 3.37Å; W193-I200 HydrophobicContact CH2-CD1 3.94Å; W193-I200 HydrophobicContact CZ3-CD1 3.68Å; W193-M304 HydrophobicContact CB-CE 3.72Å; W193-M304 VanDerWaalsContact N-CE 3.29Å
194	S	97.8	Very high	97.2	Very high	70 Å²	70	58.1 Å²	58.1	49%	0.49	31%	0.306	S	S	.	.	H	α-helix	trans	-57.5	-41.2	177.8	-58.7	0	0	0	0	111.9	L190 Q191	L190-S194 PolarHBondContact O-N 3.4Å; L190-S194 PolarHBondContact O-OG 3.31Å; Q191-S194 PolarHBondContact O-N 2.85Å
195	A	97.9	Very high	97.2	Very high	36 Å²	36	62.8 Å²	62.8	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-70.5	-41.3	175.3	0	0	0	0	0	112.5	Q191 L192 W193 L198 V308	Q191-A195 PolarHBondContact O-N 3.47Å; L192-A195 PolarHBondContact O-N 2.89Å; W193-A195 VanDerWaalsContact C-N 3.27Å; W193-A195 PolarHBondContact O-N 3.32Å; A195-L198 PolarHBondContact O-N 3.21Å; A195-V308 HydrophobicContact CB-CG1 3.83Å; A195-V308 HydrophobicContact CB-CG2 3.92Å
196	L	97.6	Very high	97.1	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-67.8	-37.3	-177.6	-178.1	56.8	0	0	0	112.1	L192 W193 L198 K199 I200 L279 L282 M304 L307 V308	L192-L196 WeakPolarHBondContact O-CB 3.26Å; L192-L196 PolarHBondContact O-N 2.88Å; W193-L196 HydrophobicContact CE3-CB 4.37Å; W193-L196 HydrophobicContact CE3-CD2 4.39Å; W193-L196 HydrophobicContact CZ3-CD2 4.48Å; W193-L196 PolarHBondContact O-N 3.29Å; W193-L196 VanDerWaalsContact O-N 3.08Å; L196-L198 PolarHBondContact O-N 3.06Å; L196-L198 VanDerWaalsContact O-N 3.15Å; L196-K199 HydrophobicContact CD1-CB 4.44Å; L196-K199 WeakPolarHBondContact O-CA 3.18Å; L196-K199 PolarHBondContact O-N 3.41Å; L196-I200 HydrophobicContact CD1-CG1 4.28Å; L196-I200 HydrophobicContact CG-CD1 4.25Å; L196-I200 HydrophobicContact CG-CG1 4.14Å; L196-I200 WeakPolarHBondContact O-CG1 3.5Å; L196-I200 PolarHBondContact O-N 3.4Å; L196-L279 HydrophobicContact CD2-CD1 4.32Å; L196-L282 HydrophobicContact CD2-CD2 3.62Å; L196-M304 HydrophobicContact CD2-CG 4.26Å; L196-L307 HydrophobicContact CD1-CB 3.53Å; L196-L307 HydrophobicContact CD1-CD1 4.3Å; L196-L307 HydrophobicContact CD2-CD1 4.41Å; L196-V308 HydrophobicContact CB-CG2 3.93Å; L196-V308 HydrophobicContact CD1-CG2 4.49Å
197	Q	96.6	Very high	97	Very high	76 Å²	76	69.7 Å²	69.7	36%	0.355	34%	0.342	S	S	.	.	H	α-helix	trans	-52.6	-37	176.4	-76.9	179.6	-67.5	0	0	112.5	W193 K199 P201	W193-Q197 HydrophobicContact CD2-CG 3.71Å; W193-Q197 VanDerWaalsContact CE2-CG 3.41Å; W193-Q197 HydrophobicContact CE3-CG 3.91Å; W193-Q197 HydrophobicContact CG-CG 4.44Å; W193-Q197 HydrophobicContact CH2-CG 3.56Å; W193-Q197 HydrophobicContact CZ2-CG 3.37Å; W193-Q197 HydrophobicContact CZ3-CG 3.82Å; W193-Q197 WeakPolarHBondContact O-CG 2.93Å; W193-Q197 PolarHBondContact O-N 3.37Å; Q197-K199 VanDerWaalsContact C-N 3.3Å; Q197-K199 PolarHBondContact O-N 2.87Å; Q197-P201 WeakPolarHBondContact O-CD 3.48Å
198	L	96.5	Very high	96.8	Very high	139 Å²	139	67.8 Å²	67.8	73%	0.728	34%	0.343	S	S	*	.	H	α-helix	trans	-72.4	-22.9	178	-58.6	176.7	0	0	0	113.2	A195 L196	A195-L198 PolarHBondContact O-N 3.21Å; L196-L198 PolarHBondContact O-N 3.06Å; L196-L198 VanDerWaalsContact O-N 3.15Å
199	K	96.8	Very high	96.8	Very high	91 Å²	91	66.3 Å²	66.3	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-94.4	-26.5	-177.4	-62.8	-63	-172.7	176.5	0	113.3	L196 Q197 D202	L196-K199 HydrophobicContact CD1-CB 4.44Å; L196-K199 WeakPolarHBondContact O-CA 3.18Å; L196-K199 PolarHBondContact O-N 3.41Å; Q197-K199 VanDerWaalsContact C-N 3.3Å; Q197-K199 PolarHBondContact O-N 2.87Å; K199-D202 WeakPolarHBondContact O-CB 3.27Å; K199-D202 PolarHBondContact O-N 2.83Å; K199-D202 VanDerWaalsContact O-N 3.1Å
200	I	97.3	Very high	96.8	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-51.9	-47.5	-177.1	-73.6	172.2	0	0	0	112.2	V165 A169 W193 L196 D202 L203 F204 L279	V165-I200 HydrophobicContact CG1-CG2 3.79Å; A169-I200 HydrophobicContact CB-CD1 4.47Å; W193-I200 HydrophobicContact CH2-CD1 3.94Å; W193-I200 HydrophobicContact CZ3-CD1 3.68Å; L196-I200 HydrophobicContact CD1-CG1 4.28Å; L196-I200 HydrophobicContact CG-CD1 4.25Å; L196-I200 HydrophobicContact CG-CG1 4.14Å; L196-I200 WeakPolarHBondContact O-CG1 3.5Å; L196-I200 PolarHBondContact O-N 3.4Å; I200-D202 PolarHBondContact O-N 3.41Å; I200-L203 WeakPolarHBondContact O-CB 3.48Å; I200-L203 PolarHBondContact O-N 3.41Å; I200-F204 HydrophobicContact CG2-CD2 4.3Å; I200-F204 HydrophobicContact CG2-CE2 4Å; I200-F204 VanDerWaalsContact O-CD2 3.28Å; I200-F204 WeakPolarHBondContact O-CD2 3.37Å; I200-L279 HydrophobicContact CD1-CD1 4.14Å; I200-L279 HydrophobicContact CG1-CD1 4.11Å; I200-L279 HydrophobicContact CG1-CD2 4.19Å; I200-L279 HydrophobicContact CG2-CD2 4.27Å
201	P	97.1	Very high	96.8	Very high	66 Å²	66	67.1 Å²	67.1	43%	0.429	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-56.3	-37.1	-179.8	-26.8	35.8	0	0	0	113.9	V165 Q197 L203 F204 R205	V165-P201 HydrophobicContact CG1-CG 4.24Å; Q197-P201 WeakPolarHBondContact O-CD 3.48Å; P201-L203 VanDerWaalsContact C-N 3.25Å; P201-L203 PolarHBondContact O-N 3.26Å; P201-F204 PolarHBondContact O-N 2.93Å; P201-R205 PolarHBondContact O-N 3.05Å
202	D	96.8	Very high	96.9	Very high	82 Å²	82	60.2 Å²	60.2	44%	0.439	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-67	-25.7	-179.7	-70.7	-25.1	0	0	0	113	K199 I200 F204 R205	K199-D202 WeakPolarHBondContact O-CB 3.27Å; K199-D202 PolarHBondContact O-N 2.83Å; K199-D202 VanDerWaalsContact O-N 3.1Å; I200-D202 PolarHBondContact O-N 3.41Å; D202-F204 PolarHBondContact O-N 3.49Å; D202-R205 IonicContact OD1-CZ 3.25Å; D202-R205 IonicContact OD1-NE 3.59Å; D202-R205 IonicContact OD1-NH2 3.94Å; D202-R205 PolarHBondContact OD1-NH2 3.31Å
203	L	97.3	Very high	96.9	Very high	27 Å²	27	59.1 Å²	59.1	14%	0.141	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-70.2	-17.8	178.2	-61.3	176.6	0	0	0	113.2	I200 P201 K275 R276 L279 L307	I200-L203 WeakPolarHBondContact O-CB 3.48Å; I200-L203 PolarHBondContact O-N 3.41Å; P201-L203 VanDerWaalsContact C-N 3.25Å; P201-L203 PolarHBondContact O-N 3.26Å; L203-K275 HydrophobicContact CD2-CB 4.02Å; L203-K275 HydrophobicContact CD2-CD 4.06Å; L203-R276 HydrophobicContact CB-CG 4.22Å; L203-R276 WeakPolarHBondContact O-CD 3.37Å; L203-R276 PolarHBondContact O-NH1 2.87Å; L203-R276 VanDerWaalsContact O-NH1 3.11Å; L203-L279 HydrophobicContact CD1-CB 4.44Å; L203-L279 HydrophobicContact CD1-CD2 3.93Å; L203-L307 HydrophobicContact CD1-CD2 4.49Å
204	F	97.5	Very high	96.9	Very high	13 Å²	13	58.8 Å²	58.8	6%	0.057	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-114.8	6.8	-176.3	-62.8	-81.1	0	0	0	113.4	W164 V165 I200 P201 D202 D206 L207 I209 H241 R276 L279 Y280	W164-F204 AromaticContact CD1-CE1 3.78Å; W164-F204 AromaticContact NE1-CE1 3.51Å; W164-F204 AromaticContact NE1-CZ 3.72Å; V165-F204 HydrophobicContact CG2-CB 3.77Å; V165-F204 HydrophobicContact CG2-CD2 3.7Å; V165-F204 HydrophobicContact CG2-CG 3.83Å; I200-F204 HydrophobicContact CG2-CD2 4.3Å; I200-F204 HydrophobicContact CG2-CE2 4Å; I200-F204 VanDerWaalsContact O-CD2 3.28Å; I200-F204 WeakPolarHBondContact O-CD2 3.37Å; P201-F204 PolarHBondContact O-N 2.93Å; D202-F204 PolarHBondContact O-N 3.49Å; F204-D206 PolarHBondContact O-N 3.45Å; F204-L207 HydrophobicContact CD1-CD1 4.2Å; F204-L207 WeakPolarHBondContact O-CB 3.47Å; F204-L207 PolarHBondContact O-N 3.13Å; F204-I209 HydrophobicContact CD1-CD1 3.65Å; F204-I209 HydrophobicContact CE1-CD1 4.22Å; F204-I209 HydrophobicContact CG-CD1 4.44Å; F204-H241 AromaticContact CE1-ND1 3.91Å; F204-R276 VanDerWaalsContact CD1-CD 3.48Å; F204-R276 HydrophobicContact CD1-CG 4.43Å; F204-R276 HydrophobicContact CE1-CG 4.01Å; F204-R276 HydrophobicContact CZ-CG 4.17Å; F204-L279 HydrophobicContact CE2-CD2 3.69Å; F204-L279 HydrophobicContact CZ-CD2 3.92Å; F204-Y280 WeakPolarHBondContact CE1-OH 3.28Å; F204-Y280 HydrophobicContact CZ-CE1 4.41Å; F204-Y280 AromaticContact CZ-CZ 3.97Å; F204-Y280 WeakPolarHBondContact CZ-OH 3.48Å
205	R	94.1	Very high	97	Very high	161 Å²	161	55.4 Å²	55.4	61%	0.608	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	140.1	178.1	-163.7	-176.3	-65.1	-179.1	-0.5	110.6	P201 D202 L207	P201-R205 PolarHBondContact O-N 3.05Å; D202-R205 IonicContact OD1-CZ 3.25Å; D202-R205 IonicContact OD1-NE 3.59Å; D202-R205 IonicContact OD1-NH2 3.94Å; D202-R205 PolarHBondContact OD1-NH2 3.31Å; R205-L207 PolarHBondContact O-N 2.97Å; R205-L207 VanDerWaalsContact O-N 3.14Å
206	D	92.2	Very high	96.9	Very high	157 Å²	157	53.7 Å²	53.7	84%	0.84	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	15.7	177.8	-47.6	-48.2	0	0	0	114.7	F204	F204-D206 PolarHBondContact O-N 3.45Å
207	L	95.2	Very high	96.9	Very high	47 Å²	47	54.8 Å²	54.8	25%	0.246	27%	0.27	C	S	.	.			trans	-100.2	126	171.2	-63.6	174.1	0	0	0	110.6	F204 R205 I209 A270	F204-L207 HydrophobicContact CD1-CD1 4.2Å; F204-L207 WeakPolarHBondContact O-CB 3.47Å; F204-L207 PolarHBondContact O-N 3.13Å; R205-L207 PolarHBondContact O-N 2.97Å; R205-L207 VanDerWaalsContact O-N 3.14Å; L207-I209 HydrophobicContact CB-CG1 4.17Å; L207-A270 HydrophobicContact CD2-CB 3.77Å
208	Q	94.2	Very high	96.9	Very high	178 Å²	178	51.1 Å²	51.1	83%	0.832	25%	0.253	S	S	*	.			trans	-86.6	110.6	160.4	-171.1	179.5	12.5	0	0	108.7
209	I	97.7	Very high	96.9	Very high	29 Å²	29	48.5 Å²	48.5	15%	0.149	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-97	117.6	178.9	-57.2	175.8	0	0	0	108	F143 W164 F204 L207 H241	F143-I209 HydrophobicContact CE1-CG2 3.71Å; F143-I209 HydrophobicContact CZ-CB 4.16Å; F143-I209 HydrophobicContact CZ-CG2 3.75Å; W164-I209 HydrophobicContact CB-CB 4.44Å; W164-I209 HydrophobicContact CB-CD1 3.91Å; W164-I209 HydrophobicContact CB-CG2 4.22Å; W164-I209 HydrophobicContact CG-CD1 3.73Å; W164-I209 HydrophobicContact CG-CG2 4.19Å; F204-I209 HydrophobicContact CD1-CD1 3.65Å; F204-I209 HydrophobicContact CE1-CD1 4.22Å; F204-I209 HydrophobicContact CG-CD1 4.44Å; L207-I209 HydrophobicContact CB-CG1 4.17Å; I209-H241 HydrophobicContact CG2-CB 3.72Å
210	I	97.6	Very high	96.8	Very high	52 Å²	52	45.7 Å²	45.7	27%	0.267	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-96.3	130.2	172.8	-60.2	174.5	0	0	0	107.2	K115 F139 A212	K115-I210 HydrophobicContact CB-CD1 4.32Å; K115-I210 HydrophobicContact CB-CG2 4.13Å; K115-I210 HydrophobicContact CD-CD1 3.83Å; K115-I210 HydrophobicContact CG-CD1 3.76Å; F139-I210 HydrophobicContact CE2-CG2 4.36Å; I210-A212 PolarHBondContact O-N 2.91Å
211	P	98.7	Very high	96.6	Very high	7 Å²	7	47.1 Å²	47.1	5%	0.045	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-56.9	122.4	177.4	-19.7	28.1	0	0	0	111.1	N114 Q142 F143 Y239	N114-P211 WeakPolarHBondContact CB-O 3.44Å; N114-P211 PolarHBondContact ND2-O 3.21Å; Q142-P211 WeakPolarHBondContact O-CB 3.37Å; Q142-P211 WeakPolarHBondContact O-CG 3.28Å; F143-P211 HydrophobicContact CD1-CB 3.86Å; F143-P211 HydrophobicContact CD1-CG 3.85Å; F143-P211 HydrophobicContact CE1-CB 3.84Å; F143-P211 HydrophobicContact CE1-CG 3.58Å; F143-P211 HydrophobicContact CE2-CG 4.45Å; F143-P211 HydrophobicContact CG-CG 4.43Å; F143-P211 HydrophobicContact CZ-CG 3.89Å; P211-Y239 HydrophobicContact CB-CD1 4.3Å
212	A	98.8	Very high	96.5	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.2	176.2	0	0	0	0	0	108.7	H111 I210 L214 Y239 G240	H111-A212 HydrophobicContact CB-CB 4.02Å; H111-A212 WeakPolarHBondContact O-CB 3.41Å; I210-A212 PolarHBondContact O-N 2.91Å; A212-L214 HydrophobicContact CB-CD2 4.35Å; A212-L214 WeakPolarHBondContact O-CG 3.47Å; A212-L214 PolarHBondContact O-N 2.72Å; A212-Y239 CarbonylContact O-C 3.57Å; A212-Y239 VanDerWaalsContact O-CA 3.3Å; A212-Y239 WeakPolarHBondContact O-CA 3.29Å; A212-G240 PolarHBondContact N-O 3.26Å; A212-G240 PolarHBondContact O-N 2.65Å
213	L	98.8	Very high	96.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	115.3	172.2	178	60.6	0	0	0	109	A61 I62 T65 L110 H111 F145 Y239	A61-L213 HydrophobicContact CB-CD1 4.28Å; A61-L213 HydrophobicContact CB-CD2 3.97Å; I62-L213 HydrophobicContact CG1-CD2 4.24Å; T65-L213 HydrophobicContact CG2-CD2 3.83Å; L110-L213 HydrophobicContact CD1-CB 4.4Å; L110-L213 HydrophobicContact CD1-CD2 4.05Å; L110-L213 HydrophobicContact CD1-CG 4.3Å; H111-L213 PolarHBondContact CD2-O 3.28Å; H111-L213 VanDerWaalsContact CD2-O 3.31Å; F145-L213 HydrophobicContact CE2-CD1 3.97Å; L213-Y239 HydrophobicContact CB-CD1 4.25Å; L213-Y239 HydrophobicContact CB-CE1 3.84Å; L213-Y239 HydrophobicContact CD1-CD2 4.48Å; L213-Y239 HydrophobicContact CD1-CE2 4.16Å
214	L	98.8	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	151.6	179.8	-55.5	179.5	0	0	0	110.8	A212 S237 F238 Y244 E245	A212-L214 HydrophobicContact CB-CD2 4.35Å; A212-L214 WeakPolarHBondContact O-CG 3.47Å; A212-L214 PolarHBondContact O-N 2.72Å; L214-S237 VanDerWaalsContact O-CA 3.32Å; L214-S237 WeakPolarHBondContact O-CA 3.45Å; L214-S237 WeakPolarHBondContact O-CB 3.38Å; L214-S237 PolarHBondContact O-OG 3.32Å; L214-F238 WeakPolarHBondContact CB-O 3.48Å; L214-F238 HydrophobicContact CD1-CD2 4.25Å; L214-F238 HydrophobicContact CD1-CE1 4.15Å; L214-F238 HydrophobicContact CD1-CE2 3.67Å; L214-F238 HydrophobicContact CD1-CZ 3.6Å; L214-F238 PolarHBondContact N-O 3.35Å; L214-Y244 HydrophobicContact CD1-CD1 3.71Å; L214-Y244 HydrophobicContact CD1-CG 4.01Å; L214-E245 WeakPolarHBondContact CB-OE2 3.33Å; L214-E245 HydrophobicContact CD2-CB 4.49Å
215	H	98.7	Very high	96.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.			trans	-68.4	-40.4	161.8	178.7	-87.7	0	0	0	110.2	D217 L218 I232 F233 P235 A236 S237 E245	H215-D217 VanDerWaalsContact C-N 3.33Å; H215-D217 PolarHBondContact CE1-O 3.33Å; H215-D217 VanDerWaalsContact ND1-C 3.26Å; H215-D217 PolarHBondContact ND1-N 3.32Å; H215-D217 PolarHBondContact ND1-O 2.63Å; H215-D217 PolarHBondContact O-N 3.13Å; H215-L218 HydrophobicContact CB-CB 4.09Å; H215-L218 HydrophobicContact CB-CD1 4.23Å; H215-L218 WeakPolarHBondContact ND1-CA 3.35Å; H215-L218 PolarHBondContact ND1-N 3.31Å; H215-I232 HydrophobicContact CB-CD1 4.4Å; H215-F233 PolarHBondContact CE1-O 3.16Å; H215-F233 PolarHBondContact NE2-O 3.35Å; H215-P235 WeakPolarHBondContact NE2-CA 3.41Å; H215-P235 WeakPolarHBondContact O-CA 3.29Å; H215-A236 CarbonylContact O-C 3.59Å; H215-A236 VanDerWaalsContact O-C 3.29Å; H215-A236 PolarHBondContact O-N 3.49Å; H215-S237 PolarHBondContact O-N 2.69Å; H215-E245 WeakPolarHBondContact CA-OE2 3.38Å; H215-E245 WeakPolarHBondContact CB-OE2 3.33Å; H215-E245 PolarHBondContact N-OE2 3.47Å
216	G	97.1	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	90	-17.3	170.9	0	0	0	0	0	115.4	E245	G216-E245 PolarHBondContact N-OE1 3.28Å; G216-E245 PolarHBondContact N-OE2 2.94Å
217	D	97	Very high	96.5	Very high	22 Å²	22	30.4 Å²	30.4	12%	0.118	18%	0.175	C	C	.	.			trans	-148.8	45.4	177.2	-166	30.3	0	0	0	112.5	H215 W219 N222 A236	H215-D217 VanDerWaalsContact C-N 3.33Å; H215-D217 PolarHBondContact CE1-O 3.33Å; H215-D217 VanDerWaalsContact ND1-C 3.26Å; H215-D217 PolarHBondContact ND1-N 3.32Å; H215-D217 PolarHBondContact ND1-O 2.63Å; H215-D217 PolarHBondContact O-N 3.13Å; D217-W219 PolarHBondContact O-N 2.96Å; D217-N222 PolarHBondContact O-ND2 2.96Å; D217-N222 PolarHBondContact OD2-ND2 3.41Å; D217-A236 HydrophobicContact CB-CB 4.24Å
218	L	97	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.			trans	-84.3	72.2	-171.9	-165.7	74.3	0	0	0	113.9	L107 H215 V223 I232 E245 A249 F255	L107-L218 HydrophobicContact CD1-CD2 3.73Å; L107-L218 HydrophobicContact CD2-CD2 3.47Å; L107-L218 VanDerWaalsContact CD2-CD2 3.47Å; L107-L218 HydrophobicContact CG-CD2 4.21Å; H215-L218 HydrophobicContact CB-CB 4.09Å; H215-L218 HydrophobicContact CB-CD1 4.23Å; H215-L218 WeakPolarHBondContact ND1-CA 3.35Å; H215-L218 PolarHBondContact ND1-N 3.31Å; L218-V223 HydrophobicContact CD1-CG1 3.58Å; L218-V223 HydrophobicContact CG-CG1 4.03Å; L218-I232 HydrophobicContact CD1-CB 3.79Å; L218-I232 HydrophobicContact CD1-CD1 4.35Å; L218-I232 HydrophobicContact CD1-CG2 3.63Å; L218-E245 HydrophobicContact CB-CG 3.88Å; L218-E245 WeakPolarHBondContact CB-OE1 3.32Å; L218-E245 HydrophobicContact CD2-CG 4.04Å; L218-E245 PolarHBondContact N-OE1 3.33Å; L218-A249 VanDerWaalsContact O-CA 3.24Å; L218-A249 WeakPolarHBondContact O-CA 3.36Å; L218-A249 PolarHBondContact O-N 2.83Å; L218-F255 HydrophobicContact CD2-CE2 4.14Å; L218-F255 HydrophobicContact CG-CE2 4.15Å; L218-F255 HydrophobicContact CG-CZ 4.19Å; L218-F255 WeakPolarHBondContact O-CZ 3.49Å
219	W	95.6	Very high	96.4	Very high	83 Å²	83	22.8 Å²	22.8	31%	0.314	15%	0.145	S	C	.	.	S	Bend	trans	-100.3	177.3	172.6	70.2	-68.5	0	0	0	112.7	D217 G221 N222 I248 F252	D217-W219 PolarHBondContact O-N 2.96Å; W219-G221 PolarHBondContact O-N 2.86Å; W219-N222 PolarHBondContact NE1-ND2 2.88Å; W219-N222 PolarHBondContact O-N 3.47Å; W219-I248 HydrophobicContact CB-CD1 4.42Å; W219-I248 HydrophobicContact CB-CG1 3.9Å; W219-F252 HydrophobicContact CE3-CB 4.27Å; W219-F252 HydrophobicContact CE3-CD2 4.24Å
220	G	94.6	Very high	96.5	Very high	33 Å²	33	21.5 Å²	21.5	34%	0.34	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-53.3	-26.3	179	0	0	0	0	0	115.6
221	G	93.3	Very high	96.5	Very high	30 Å²	30	19 Å²	19	31%	0.309	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-78.7	-15.8	176.4	0	0	0	0	0	114.9	W219 F233	W219-G221 PolarHBondContact O-N 2.86Å; G221-F233 WeakPolarHBondContact O-CE2 3.45Å; G221-F233 WeakPolarHBondContact O-CZ 3.4Å
222	N	96.7	Very high	96.5	Very high	11 Å²	11	18.7 Å²	18.7	6%	0.059	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-112.7	18	-173.4	-74.9	-4.3	0	0	0	112.5	D217 W219 I232 F233	D217-N222 PolarHBondContact O-ND2 2.96Å; D217-N222 PolarHBondContact OD2-ND2 3.41Å; W219-N222 PolarHBondContact NE1-ND2 2.88Å; W219-N222 PolarHBondContact O-N 3.47Å; N222-I232 WeakPolarHBondContact O-CA 3.44Å; N222-F233 VanDerWaalsContact CB-O 3.26Å; N222-F233 WeakPolarHBondContact CB-O 3.47Å; N222-F233 PolarHBondContact O-N 2.85Å; N222-F233 VanDerWaalsContact O-N 3.11Å
223	V	97.1	Very high	96.4	Very high	8 Å²	8	20.2 Å²	20.2	5%	0.048	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.4	177.4	-58.6	0	0	0	0	111.3	L96 L103 L218 I232 F255	L96-V223 HydrophobicContact CB-CG2 4.25Å; L96-V223 HydrophobicContact CD2-CB 4.34Å; L96-V223 HydrophobicContact CD2-CG2 4Å; L103-V223 HydrophobicContact CD2-CB 4.3Å; L103-V223 HydrophobicContact CD2-CG1 4Å; L218-V223 HydrophobicContact CD1-CG1 3.58Å; L218-V223 HydrophobicContact CG-CG1 4.03Å; V223-I232 HydrophobicContact CG1-CG2 4.19Å; V223-F255 HydrophobicContact CG1-CE1 4.22Å; V223-F255 HydrophobicContact CG1-CE2 4.47Å; V223-F255 HydrophobicContact CG1-CZ 3.67Å; V223-F255 HydrophobicContact CG2-CE1 3.7Å; V223-F255 HydrophobicContact CG2-CZ 4.04Å
224	A	96.9	Very high	96.3	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.033	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	-178	174.6	0	0	0	0	0	109.6	M93 R94 P230 V231 F233	M93-A224 HydrophobicContact CB-CB 3.72Å; M93-A224 HydrophobicContact CG-CB 3.81Å; M93-A224 HydrophobicContact SD-CB 3.79Å; R94-A224 WeakPolarHBondContact O-CA 3.44Å; R94-A224 WeakPolarHBondContact O-CB 3.45Å; A224-P230 CarbonylContact O-C 3.59Å; A224-P230 WeakPolarHBondContact O-CA 3.5Å; A224-V231 PolarHBondContact N-O 2.94Å; A224-V231 PolarHBondContact O-N 2.71Å; A224-F233 HydrophobicContact CB-CE1 3.72Å
225	E	96.8	Very high	96.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.5	163.6	65.4	-177.1	-144.5	0	0	110.1	R94 H95 L96 S97 S98 H99 G229	R94-E225 HydrophobicContact CG-CG 3.66Å; R94-E225 VanDerWaalsContact CG-O 3.3Å; R94-E225 WeakPolarHBondContact CG-O 3.38Å; R94-E225 IonicContact CZ-OE1 3.45Å; R94-E225 PolarHBondContact N-O 3.26Å; R94-E225 IonicContact NE-OE1 3.79Å; R94-E225 PolarHBondContact NE-OE1 3.29Å; R94-E225 IonicContact NH2-OE1 2.71Å; R94-E225 PolarHBondContact O-N 3.46Å; H95-E225 WeakPolarHBondContact O-CG 3.15Å; L96-E225 HydrophobicContact CD1-CB 4.15Å; S97-E225 PolarHBondContact N-OE2 3.13Å; S97-E225 PolarHBondContact OG-OE1 2.72Å; S97-E225 VanDerWaalsContact OG-OE1 3.08Å; S98-E225 PolarHBondContact N-OE2 2.93Å; S98-E225 PolarHBondContact OG-OE1 3.06Å; S98-E225 PolarHBondContact OG-OE2 3.04Å; H99-E225 HydrophobicContact CB-CB 4.35Å; H99-E225 WeakPolarHBondContact CB-OE2 3.46Å; H99-E225 IonicContact CG-OE2 2.75Å; H99-E225 PolarHBondContact N-OE2 2.92Å; H99-E225 VanDerWaalsContact ND1-CD 3.35Å; H99-E225 IonicContact ND1-OE1 3.51Å; H99-E225 IonicContact ND1-OE2 3.13Å; H99-E225 PolarHBondContact ND1-OE2 3.24Å; E225-G229 CarbonylContact C-O 3.51Å; E225-G229 WeakPolarHBondContact CA-O 3.29Å; E225-G229 WeakPolarHBondContact CB-O 3.41Å
226	D	94.2	Very high	96.2	Very high	17 Å²	17	22.8 Å²	22.8	9%	0.091	14%	0.144	C	C	.	.			trans	-124.4	-160.3	167.7	86.8	-36.8	0	0	0	109.9	R69 V91 D92 R94 S228 G229	R69-D226 IonicContact CZ-OD2 2.69Å; R69-D226 IonicContact NH1-OD1 3.72Å; R69-D226 PolarHBondContact NH1-OD1 2.67Å; R69-D226 IonicContact NH1-OD2 3.33Å; R69-D226 PolarHBondContact NH1-OD2 3.19Å; V91-D226 HydrophobicContact CG1-CB 4.36Å; D92-D226 WeakPolarHBondContact O-CB 3.28Å; R94-D226 PolarHBondContact NH2-O 3Å; D226-S228 PolarHBondContact O-N 2.98Å; D226-S228 WeakPolarHBondContact OD1-CA 3.31Å; D226-S228 WeakPolarHBondContact OD1-CB 3.36Å; D226-S228 PolarHBondContact OD1-N 3.46Å; D226-S228 PolarHBondContact OD1-OG 3.15Å; D226-S228 PolarHBondContact OD2-OG 2.94Å; D226-G229 PolarHBondContact N-O 3.01Å; D226-G229 PolarHBondContact OD1-N 3.5Å; D226-G229 VanDerWaalsContact OD1-N 3.09Å
227	S	91.4	Very high	96.3	Very high	113 Å²	113	22.8 Å²	22.8	79%	0.79	14%	0.144	S	C	*	.	S	Bend	trans	-66.7	-22.1	175.6	65.4	0	0	0	0	114.1
228	S	92.1	Very high	96.3	Very high	63 Å²	63	21.7 Å²	21.7	44%	0.441	14%	0.139	S	C	.	.	S	Bend	trans	-96.4	-24.8	-174.9	73.6	0	0	0	0	113.8	R69 K102 D226	R69-S228 PolarHBondContact NH1-OG 3.15Å; R69-S228 VanDerWaalsContact NH1-OG 3.07Å; K102-S228 PolarHBondContact NZ-O 3.31Å; D226-S228 PolarHBondContact O-N 2.98Å; D226-S228 WeakPolarHBondContact OD1-CA 3.31Å; D226-S228 WeakPolarHBondContact OD1-CB 3.36Å; D226-S228 PolarHBondContact OD1-N 3.46Å; D226-S228 PolarHBondContact OD1-OG 3.15Å; D226-S228 PolarHBondContact OD2-OG 2.94Å
229	G	96.6	Very high	96.4	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	154.5	-161.7	178.9	0	0	0	0	0	113.4	E225 D226	E225-G229 CarbonylContact C-O 3.51Å; E225-G229 WeakPolarHBondContact CA-O 3.29Å; E225-G229 WeakPolarHBondContact CB-O 3.41Å; D226-G229 PolarHBondContact N-O 3.01Å; D226-G229 PolarHBondContact OD1-N 3.5Å; D226-G229 VanDerWaalsContact OD1-N 3.09Å
230	P	98	Very high	96.6	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.013	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	150.7	-179.7	36	-36	0	0	0	110.6	L96 H99 K102 L103 A224	L96-P230 HydrophobicContact CD1-CB 3.89Å; H99-P230 HydrophobicContact CB-CB 4.22Å; H99-P230 HydrophobicContact CB-CG 4.46Å; K102-P230 HydrophobicContact CB-CG 4.5Å; K102-P230 HydrophobicContact CG-CG 4.27Å; L103-P230 HydrophobicContact CB-CB 3.69Å; L103-P230 HydrophobicContact CB-CG 3.88Å; L103-P230 HydrophobicContact CD1-CB 3.99Å; L103-P230 HydrophobicContact CD1-CG 4.27Å; L103-P230 HydrophobicContact CG-CB 4.29Å; A224-P230 CarbonylContact O-C 3.59Å; A224-P230 WeakPolarHBondContact O-CA 3.5Å
231	V	98.2	Very high	96.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.5	178.7	-175.2	0	0	0	0	107.7	R69 V91 M93 A224	R69-V231 HydrophobicContact CB-CG2 4.3Å; R69-V231 HydrophobicContact CG-CG1 4.42Å; R69-V231 HydrophobicContact CG-CG2 4.12Å; R69-V231 WeakPolarHBondContact O-CA 3.29Å; V91-V231 HydrophobicContact CG1-CG1 4.47Å; V91-V231 HydrophobicContact CG1-CG2 4.16Å; M93-V231 HydrophobicContact CE-CG1 3.94Å; A224-V231 PolarHBondContact N-O 2.94Å; A224-V231 PolarHBondContact O-N 2.71Å
232	I	98.3	Very high	97	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	146.4	173.5	71.5	-178.2	0	0	0	109.1	I62 V68 R69 V70 P71 L103 H215 L218 N222 V223	I62-I232 HydrophobicContact CD1-CD1 4.4Å; I62-I232 HydrophobicContact CG2-CD1 4.42Å; V68-I232 HydrophobicContact CB-CD1 4.44Å; V68-I232 HydrophobicContact CG1-CD1 3.49Å; V68-I232 VanDerWaalsContact CG1-CD1 3.49Å; V68-I232 HydrophobicContact CG1-CG1 4.17Å; V68-I232 HydrophobicContact CG2-CD1 4.1Å; V68-I232 HydrophobicContact CG2-CG1 4.23Å; V68-I232 HydrophobicContact CG2-CG2 4.06Å; R69-I232 PolarHBondContact O-N 3.44Å; V70-I232 WeakPolarHBondContact CA-O 3.3Å; V70-I232 HydrophobicContact CG1-CD1 4.31Å; V70-I232 HydrophobicContact CG1-CG1 3.59Å; P71-I232 WeakPolarHBondContact CD-O 3.34Å; L103-I232 HydrophobicContact CD1-CG2 3.54Å; H215-I232 HydrophobicContact CB-CD1 4.4Å; L218-I232 HydrophobicContact CD1-CB 3.79Å; L218-I232 HydrophobicContact CD1-CD1 4.35Å; L218-I232 HydrophobicContact CD1-CG2 3.63Å; N222-I232 WeakPolarHBondContact O-CA 3.44Å; V223-I232 HydrophobicContact CG1-CG2 4.19Å
233	F	97.4	Very high	97.1	Very high	35 Å²	35	17.2 Å²	17.2	15%	0.154	11%	0.105	C	C	.	.			trans	-152.3	166.4	-174	55	-90	0	0	0	110.8	P71 M93 H215 G221 N222 A224	P71-F233 HydrophobicContact CG-CB 4.11Å; M93-F233 HydrophobicContact CE-CB 4.4Å; M93-F233 HydrophobicContact CE-CD1 3.78Å; M93-F233 HydrophobicContact CE-CE1 4.33Å; M93-F233 HydrophobicContact CE-CG 4.19Å; M93-F233 HydrophobicContact SD-CD1 3.72Å; M93-F233 HydrophobicContact SD-CE1 3.65Å; M93-F233 HydrophobicContact SD-CG 4.45Å; M93-F233 HydrophobicContact SD-CZ 4.32Å; H215-F233 PolarHBondContact CE1-O 3.16Å; H215-F233 PolarHBondContact NE2-O 3.35Å; G221-F233 WeakPolarHBondContact O-CE2 3.45Å; G221-F233 WeakPolarHBondContact O-CZ 3.4Å; N222-F233 VanDerWaalsContact CB-O 3.26Å; N222-F233 WeakPolarHBondContact CB-O 3.47Å; N222-F233 PolarHBondContact O-N 2.85Å; N222-F233 VanDerWaalsContact O-N 3.11Å; A224-F233 HydrophobicContact CB-CE1 3.72Å
234	D	96.4	Very high	97.2	Very high	47 Å²	47	16.8 Å²	16.8	25%	0.251	10%	0.103	S	C	.	.	S	Bend	trans	59.9	49	-176.8	-59.9	19.8	0	0	0	113.6	K41	K41-D234 IonicContact NZ-OD1 3.12Å; K41-D234 PolarHBondContact NZ-OD1 2.69Å; K41-D234 IonicContact NZ-OD2 2.79Å; K41-D234 PolarHBondContact NZ-OD2 2.9Å
235	P	97.9	Very high	97.2	Very high	6 Å²	6	16.6 Å²	16.6	4%	0.039	10%	0.101	C	C	.	.			trans	-72.7	150.9	-179.1	31.8	-38.1	0	0	0	113.5	S58 L59 I62 H215	S58-P235 VanDerWaalsContact CB-CG 3.41Å; L59-P235 HydrophobicContact CD2-CG 3.83Å; L59-P235 HydrophobicContact CG-CG 3.81Å; I62-P235 HydrophobicContact CD1-CB 3.91Å; I62-P235 HydrophobicContact CD1-CG 4.31Å; H215-P235 WeakPolarHBondContact NE2-CA 3.41Å; H215-P235 WeakPolarHBondContact O-CA 3.29Å
236	A	97.6	Very high	97.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	10%	0.102	C	C	.	.			trans	-121.4	54.5	170.3	0	0	0	0	0	109.5	C150 Q156 H215 D217	C150-A236 WeakPolarHBondContact O-CB 3.41Å; Q156-A236 PolarHBondContact NE2-O 3.01Å; H215-A236 CarbonylContact O-C 3.59Å; H215-A236 VanDerWaalsContact O-C 3.29Å; H215-A236 PolarHBondContact O-N 3.49Å; D217-A236 HydrophobicContact CB-CB 4.24Å
237	S	98.6	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.098	C	C	.	.			trans	-65.8	152.9	-162.5	-69.3	0	0	0	0	114.4	S58 T149 L214 H215	S58-S237 WeakPolarHBondContact CB-OG 3.4Å; S58-S237 WeakPolarHBondContact OG-CB 3.25Å; S58-S237 PolarHBondContact OG-N 3.27Å; S58-S237 VanDerWaalsContact OG-N 3.13Å; T149-S237 VanDerWaalsContact CG2-O 3.25Å; T149-S237 WeakPolarHBondContact CG2-O 3.48Å; T149-S237 PolarHBondContact OG1-O 3.13Å; L214-S237 VanDerWaalsContact O-CA 3.32Å; L214-S237 WeakPolarHBondContact O-CA 3.45Å; L214-S237 WeakPolarHBondContact O-CB 3.38Å; L214-S237 PolarHBondContact O-OG 3.32Å; H215-S237 PolarHBondContact O-N 2.69Å
238	F	98.8	Very high	97.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	163.7	165.6	61.1	-80.3	0	0	0	108.9	F145 W164 F167 L214 Y244	F145-F238 HydrophobicContact CB-CB 4.07Å; W164-F238 AromaticContact CH2-CE2 3.93Å; W164-F238 HydrophobicContact CH2-CE2 3.93Å; W164-F238 AromaticContact CZ3-CE2 3.98Å; W164-F238 HydrophobicContact CZ3-CE2 3.98Å; F167-F238 AromaticContact CE1-CD2 3.73Å; F167-F238 HydrophobicContact CE1-CD2 3.73Å; F167-F238 AromaticContact CE1-CE2 3.84Å; F167-F238 HydrophobicContact CE1-CE2 3.84Å; F167-F238 HydrophobicContact CZ-CD2 4.05Å; L214-F238 WeakPolarHBondContact CB-O 3.48Å; L214-F238 HydrophobicContact CD1-CD2 4.25Å; L214-F238 HydrophobicContact CD1-CE1 4.15Å; L214-F238 HydrophobicContact CD1-CE2 3.67Å; L214-F238 HydrophobicContact CD1-CZ 3.6Å; L214-F238 PolarHBondContact N-O 3.35Å; F238-Y244 HydrophobicContact CE1-CD1 4.38Å; F238-Y244 AromaticContact CE1-CE1 3.87Å; F238-Y244 HydrophobicContact CE1-CE1 3.87Å; F238-Y244 AromaticContact CZ-CD1 3.95Å; F238-Y244 HydrophobicContact CZ-CD1 3.95Å; F238-Y244 HydrophobicContact CZ-CD2 4.2Å; F238-Y244 AromaticContact CZ-CE1 3.78Å; F238-Y244 HydrophobicContact CZ-CE1 3.78Å; F238-Y244 HydrophobicContact CZ-CE2 4.02Å; F238-Y244 HydrophobicContact CZ-CG 4.16Å; F238-Y244 AromaticContact CZ-CZ 3.8Å
239	Y	98.8	Very high	97.8	Very high	19 Å²	19	7.6 Å²	7.6	8%	0.075	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.9	168.5	-73.9	-92.3	0	0	0	109.6	N114 V140 F143 G144 F145 W160 P211 A212 L213	N114-Y239 HydrophobicContact CB-CE1 4.35Å; V140-Y239 HydrophobicContact CB-CD1 4.02Å; V140-Y239 HydrophobicContact CB-CE1 3.94Å; V140-Y239 HydrophobicContact CB-CG 4.39Å; V140-Y239 HydrophobicContact CG1-CD1 3.99Å; V140-Y239 HydrophobicContact CG1-CD2 4.09Å; V140-Y239 HydrophobicContact CG1-CE1 4.31Å; V140-Y239 HydrophobicContact CG1-CE2 4.39Å; V140-Y239 HydrophobicContact CG1-CG 3.88Å; V140-Y239 HydrophobicContact CG2-CD1 4.37Å; V140-Y239 HydrophobicContact CG2-CE1 3.85Å; V140-Y239 HydrophobicContact CG2-CE2 4.03Å; F143-Y239 WeakPolarHBondContact CA-O 3.38Å; G144-Y239 PolarHBondContact N-O 3.31Å; G144-Y239 VanDerWaalsContact N-O 3.09Å; G144-Y239 PolarHBondContact O-N 2.92Å; F145-Y239 HydrophobicContact CD2-CD2 4.1Å; F145-Y239 HydrophobicContact CD2-CE2 4.27Å; F145-Y239 HydrophobicContact CE2-CE2 4.28Å; W160-Y239 AromaticContact CH2-CD2 3.75Å; W160-Y239 HydrophobicContact CH2-CD2 3.75Å; W160-Y239 HydrophobicContact CH2-CE2 4.29Å; W160-Y239 HydrophobicContact CZ3-CD2 4.15Å; W160-Y239 HydrophobicContact CZ3-CG 4.49Å; P211-Y239 HydrophobicContact CB-CD1 4.3Å; A212-Y239 CarbonylContact O-C 3.57Å; A212-Y239 VanDerWaalsContact O-CA 3.3Å; A212-Y239 WeakPolarHBondContact O-CA 3.29Å; L213-Y239 HydrophobicContact CB-CD1 4.25Å; L213-Y239 HydrophobicContact CB-CE1 3.84Å; L213-Y239 HydrophobicContact CD1-CD2 4.48Å; L213-Y239 HydrophobicContact CD1-CE2 4.16Å
240	G	98.7	Very high	97.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-173.5	-174.1	0	0	0	0	0	113.6	A212 S242	A212-G240 PolarHBondContact N-O 3.26Å; A212-G240 PolarHBondContact O-N 2.65Å; G240-S242 PolarHBondContact O-N 2.81Å
241	H	98.8	Very high	97.5	Very high	16 Å²	16	9.2 Å²	9.2	7%	0.074	6%	0.055	C	C	.	.			trans	-71.6	126.2	171.4	-175	-158	0	0	0	110.6	W164 F204 I209 E243 Y244 Y280	W164-H241 HydrophobicContact CD2-CB 3.81Å; W164-H241 HydrophobicContact CE3-CB 4.41Å; W164-H241 HydrophobicContact CG-CB 4.27Å; W164-H241 HydrophobicContact CH2-CB 4.13Å; W164-H241 VanDerWaalsContact CH2-N 3.33Å; W164-H241 HydrophobicContact CZ2-CB 3.49Å; W164-H241 VanDerWaalsContact CZ2-CB 3.49Å; W164-H241 VanDerWaalsContact CZ3-N 3.34Å; F204-H241 AromaticContact CE1-ND1 3.91Å; I209-H241 HydrophobicContact CG2-CB 3.72Å; H241-E243 VanDerWaalsContact CE1-CG 3.49Å; H241-E243 WeakPolarHBondContact CE1-CG 3.17Å; H241-E243 IonicContact CE1-OE1 3.07Å; H241-E243 IonicContact CE1-OE2 3.7Å; H241-E243 PolarHBondContact CE1-OE2 3.25Å; H241-E243 VanDerWaalsContact CE1-OE2 3.25Å; H241-E243 IonicContact ND1-OE2 2.9Å; H241-E243 PolarHBondContact O-N 3.38Å; H241-Y244 WeakPolarHBondContact O-CB 3.49Å; H241-Y244 PolarHBondContact O-N 2.81Å; H241-Y280 WeakPolarHBondContact CB-OH 3.46Å; H241-Y280 AromaticContact ND1-CE2 3.88Å; H241-Y280 AromaticContact ND1-CZ 3.73Å; H241-Y280 PolarHBondContact ND1-OH 3.16Å
242	S	98.6	Very high	97	Very high	17 Å²	17	13.2 Å²	13.2	12%	0.119	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.1	-177.5	69.9	0	0	0	0	115.3	G240 Y244 E245	G240-S242 PolarHBondContact O-N 2.81Å; S242-Y244 PolarHBondContact O-N 2.99Å; S242-E245 PolarHBondContact O-N 2.6Å
243	E	98.6	Very high	96.5	Very high	10 Å²	10	17.2 Å²	17.2	5%	0.047	11%	0.114	C	C	.	.	H	α-helix	trans	-65.7	-21.5	177.1	-67.7	-176.7	179.4	0	0	113.2	H241 E245 L246 F273 R276 Y280	H241-E243 VanDerWaalsContact CE1-CG 3.49Å; H241-E243 WeakPolarHBondContact CE1-CG 3.17Å; H241-E243 IonicContact CE1-OE1 3.07Å; H241-E243 IonicContact CE1-OE2 3.7Å; H241-E243 PolarHBondContact CE1-OE2 3.25Å; H241-E243 VanDerWaalsContact CE1-OE2 3.25Å; H241-E243 IonicContact ND1-OE2 2.9Å; H241-E243 PolarHBondContact O-N 3.38Å; E243-E245 VanDerWaalsContact C-N 3.32Å; E243-E245 PolarHBondContact O-N 2.93Å; E243-L246 PolarHBondContact O-N 3.39Å; E243-F273 HydrophobicContact CB-CE2 4.27Å; E243-F273 VanDerWaalsContact CD-CD2 3.46Å; E243-F273 HydrophobicContact CG-CD2 3.81Å; E243-F273 HydrophobicContact CG-CE2 3.87Å; E243-F273 WeakPolarHBondContact OE1-CD2 3.44Å; E243-R276 IonicContact OE1-CZ 3.44Å; E243-R276 IonicContact OE1-NE 3.9Å; E243-R276 IonicContact OE1-NH2 2.75Å; E243-R276 PolarHBondContact OE1-NH2 3.03Å; E243-R276 IonicContact OE2-CZ 3.24Å; E243-R276 IonicContact OE2-NE 2.82Å; E243-R276 PolarHBondContact OE2-NE 3.44Å; E243-R276 IonicContact OE2-NH2 2.6Å; E243-R276 PolarHBondContact OE2-NH2 3.2Å; E243-Y280 HydrophobicContact CB-CD2 4.2Å; E243-Y280 HydrophobicContact CB-CE2 3.72Å
244	Y	98.6	Very high	96.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-55.5	-46	177.6	172.8	-83.4	0	0	0	111.7	Y168 L214 F238 H241 S242 L246 A247 Y280 F283 H284	Y168-Y244 HydrophobicContact CD2-CD2 4.44Å; Y168-Y244 AromaticContact CE2-CD2 3.79Å; Y168-Y244 HydrophobicContact CE2-CD2 3.79Å; Y168-Y244 AromaticContact CE2-CE2 3.94Å; Y168-Y244 HydrophobicContact CE2-CE2 3.94Å; L214-Y244 HydrophobicContact CD1-CD1 3.71Å; L214-Y244 HydrophobicContact CD1-CG 4.01Å; F238-Y244 HydrophobicContact CE1-CD1 4.38Å; F238-Y244 AromaticContact CE1-CE1 3.87Å; F238-Y244 HydrophobicContact CE1-CE1 3.87Å; F238-Y244 AromaticContact CZ-CD1 3.95Å; F238-Y244 HydrophobicContact CZ-CD1 3.95Å; F238-Y244 HydrophobicContact CZ-CD2 4.2Å; F238-Y244 AromaticContact CZ-CE1 3.78Å; F238-Y244 HydrophobicContact CZ-CE1 3.78Å; F238-Y244 HydrophobicContact CZ-CE2 4.02Å; F238-Y244 HydrophobicContact CZ-CG 4.16Å; F238-Y244 AromaticContact CZ-CZ 3.8Å; H241-Y244 WeakPolarHBondContact O-CB 3.49Å; H241-Y244 PolarHBondContact O-N 2.81Å; S242-Y244 PolarHBondContact O-N 2.99Å; Y244-L246 PolarHBondContact O-N 3.21Å; Y244-A247 WeakPolarHBondContact O-CB 3.38Å; Y244-A247 PolarHBondContact O-N 2.77Å; Y244-A247 VanDerWaalsContact O-N 3.13Å; Y244-Y280 AromaticContact CD2-CD1 3.71Å; Y244-Y280 HydrophobicContact CD2-CD1 3.71Å; Y244-Y280 HydrophobicContact CD2-CE1 4.22Å; Y244-Y280 HydrophobicContact CD2-CG 4.34Å; Y244-Y280 HydrophobicContact CG-CD1 4.35Å; Y244-F283 AromaticContact CE2-CD1 3.93Å; Y244-F283 HydrophobicContact CE2-CD1 3.93Å; Y244-F283 HydrophobicContact CE2-CE1 4.42Å; Y244-F283 HydrophobicContact CE2-CG 4.34Å; Y244-F283 AromaticContact CZ-CD1 3.92Å; Y244-F283 WeakPolarHBondContact OH-CD1 3.44Å; Y244-F283 WeakPolarHBondContact OH-CE1 3.38Å; Y244-H284 AromaticContact CE1-NE2 3.85Å; Y244-H284 AromaticContact CZ-CE1 3.73Å; Y244-H284 AromaticContact CZ-NE2 3.58Å; Y244-H284 PolarHBondContact OH-CE1 2.98Å
245	E	97.8	Very high	96.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-31.9	-175.6	-159.4	70.2	-110.2	0	0	112.3	L107 L214 H215 G216 L218 S242 E243 A247 I248 A249	L107-E245 HydrophobicContact CD2-CG 4.21Å; L214-E245 WeakPolarHBondContact CB-OE2 3.33Å; L214-E245 HydrophobicContact CD2-CB 4.49Å; H215-E245 WeakPolarHBondContact CA-OE2 3.38Å; H215-E245 WeakPolarHBondContact CB-OE2 3.33Å; H215-E245 PolarHBondContact N-OE2 3.47Å; G216-E245 PolarHBondContact N-OE1 3.28Å; G216-E245 PolarHBondContact N-OE2 2.94Å; L218-E245 HydrophobicContact CB-CG 3.88Å; L218-E245 WeakPolarHBondContact CB-OE1 3.32Å; L218-E245 HydrophobicContact CD2-CG 4.04Å; L218-E245 PolarHBondContact N-OE1 3.33Å; S242-E245 PolarHBondContact O-N 2.6Å; E243-E245 VanDerWaalsContact C-N 3.32Å; E243-E245 PolarHBondContact O-N 2.93Å; E245-A247 PolarHBondContact O-N 3.27Å; E245-I248 WeakPolarHBondContact O-CG2 3.27Å; E245-A249 WeakPolarHBondContact O-CB 3.41Å; E245-A249 PolarHBondContact O-N 3.01Å
246	L	98.3	Very high	96	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-69	-19.9	-177.6	-62.5	-179.8	0	0	0	112.6	E243 Y244 G250 F259 Y260 Y263 F273 L277	E243-L246 PolarHBondContact O-N 3.39Å; Y244-L246 PolarHBondContact O-N 3.21Å; L246-G250 PolarHBondContact O-N 3.16Å; L246-F259 HydrophobicContact CD2-CE1 4.16Å; L246-Y260 HydrophobicContact CD2-CD1 4.49Å; L246-Y260 HydrophobicContact CD2-CE1 4.36Å; L246-Y263 HydrophobicContact CD1-CD1 4.06Å; L246-Y263 HydrophobicContact CD1-CE1 3.63Å; L246-Y263 HydrophobicContact CD2-CD1 4.06Å; L246-Y263 HydrophobicContact CD2-CD2 4.36Å; L246-Y263 HydrophobicContact CD2-CE1 4.03Å; L246-Y263 HydrophobicContact CD2-CE2 4.31Å; L246-Y263 HydrophobicContact CD2-CG 4.24Å; L246-Y263 HydrophobicContact CG-CE1 4.17Å; L246-F273 HydrophobicContact CB-CZ 4.45Å; L246-F273 HydrophobicContact CD1-CE2 3.7Å; L246-F273 HydrophobicContact CD1-CZ 3.76Å; L246-L277 HydrophobicContact CB-CD1 4.04Å
247	A	97.4	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-60.3	176.6	0	0	0	0	0	111.4	Y244 E245 A249 G250 M251 L277 Q281	Y244-A247 WeakPolarHBondContact O-CB 3.38Å; Y244-A247 PolarHBondContact O-N 2.77Å; Y244-A247 VanDerWaalsContact O-N 3.13Å; E245-A247 PolarHBondContact O-N 3.27Å; A247-A249 VanDerWaalsContact C-N 3.3Å; A247-A249 PolarHBondContact O-N 2.99Å; A247-G250 PolarHBondContact O-N 3.01Å; A247-G250 VanDerWaalsContact O-N 3.12Å; A247-M251 WeakPolarHBondContact O-CG 3.36Å; A247-M251 PolarHBondContact O-N 3.48Å; A247-L277 HydrophobicContact CB-CD1 4.08Å; A247-Q281 HydrophobicContact CB-CG 3.77Å
248	I	95.9	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-34.1	-179.4	-167.6	67.7	0	0	0	111.9	W219 E245 G250 M251 F252 H284	W219-I248 HydrophobicContact CB-CD1 4.42Å; W219-I248 HydrophobicContact CB-CG1 3.9Å; E245-I248 WeakPolarHBondContact O-CG2 3.27Å; I248-G250 PolarHBondContact O-N 3.02Å; I248-M251 HydrophobicContact CD1-CB 4.39Å; I248-M251 HydrophobicContact CD1-SD 4.14Å; I248-M251 PolarHBondContact O-N 3.09Å; I248-F252 HydrophobicContact CD1-CD2 4.25Å; I248-F252 HydrophobicContact CD1-CE2 3.76Å; I248-H284 HydrophobicContact CD1-CB 3.87Å
249	A	95.8	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-26.3	173.8	0	0	0	0	0	113.4	L218 E245 A247 G254 F255 Y260	L218-A249 VanDerWaalsContact O-CA 3.24Å; L218-A249 WeakPolarHBondContact O-CA 3.36Å; L218-A249 PolarHBondContact O-N 2.83Å; E245-A249 WeakPolarHBondContact O-CB 3.41Å; E245-A249 PolarHBondContact O-N 3.01Å; A247-A249 VanDerWaalsContact C-N 3.3Å; A247-A249 PolarHBondContact O-N 2.99Å; A249-G254 CarbonylContact O-C 3.6Å; A249-G254 VanDerWaalsContact O-CA 3.25Å; A249-G254 WeakPolarHBondContact O-CA 3.46Å; A249-F255 HydrophobicContact CB-CD2 3.77Å; A249-F255 HydrophobicContact CB-CE2 3.54Å; A249-F255 HydrophobicContact CB-CZ 4.3Å; A249-F255 PolarHBondContact O-N 2.73Å; A249-Y260 VanDerWaalsContact C-OH 3.27Å; A249-Y260 PolarHBondContact O-OH 3.41Å
250	G	93.3	Very high	95.9	Very high	33 Å²	33	26.7 Å²	26.7	34%	0.34	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.8	175.1	0	0	0	0	0	114.9	L246 A247 I248 Y260	L246-G250 PolarHBondContact O-N 3.16Å; A247-G250 PolarHBondContact O-N 3.01Å; A247-G250 VanDerWaalsContact O-N 3.12Å; I248-G250 PolarHBondContact O-N 3.02Å; G250-Y260 WeakPolarHBondContact CA-OH 3.42Å; G250-Y260 PolarHBondContact N-OH 3.37Å
251	M	93.3	Very high	95.9	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.03	21%	0.211	C	C	.	.	S	Bend	trans	-89.8	162.7	178.9	-68.9	171.6	67.7	0	0	111.1	A247 I248 G253 G254 Q281 H284 Y285	A247-M251 WeakPolarHBondContact O-CG 3.36Å; A247-M251 PolarHBondContact O-N 3.48Å; I248-M251 HydrophobicContact CD1-CB 4.39Å; I248-M251 HydrophobicContact CD1-SD 4.14Å; I248-M251 PolarHBondContact O-N 3.09Å; M251-G253 PolarHBondContact O-N 3.04Å; M251-G254 PolarHBondContact O-N 3.23Å; M251-G254 VanDerWaalsContact O-N 3.08Å; M251-Q281 HydrophobicContact CG-CG 4.28Å; M251-Q281 HydrophobicContact SD-CB 4.16Å; M251-Q281 HydrophobicContact SD-CG 3.99Å; M251-H284 HydrophobicContact CE-CB 3.83Å; M251-H284 HydrophobicContact SD-CB 3.71Å; M251-Y285 HydrophobicContact CE-CD1 3.85Å; M251-Y285 HydrophobicContact CE-CD2 3.87Å; M251-Y285 HydrophobicContact CE-CE1 3.67Å; M251-Y285 HydrophobicContact CE-CE2 3.7Å; M251-Y285 HydrophobicContact CE-CG 3.94Å; M251-Y285 HydrophobicContact SD-CE2 4.41Å
252	F	88.3	Confident	95.9	Very high	83 Å²	83	31.1 Å²	31.1	36%	0.364	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	42.9	171.2	-46.1	-59.4	0	0	0	115.2	W219 I248 H288 Y296	W219-F252 HydrophobicContact CE3-CB 4.27Å; W219-F252 HydrophobicContact CE3-CD2 4.24Å; I248-F252 HydrophobicContact CD1-CD2 4.25Å; I248-F252 HydrophobicContact CD1-CE2 3.76Å; F252-H288 AromaticContact CE2-CE1 3.62Å; F252-H288 AromaticContact CE2-NE2 3.47Å; F252-H288 WeakPolarHBondContact CE2-NE2 3.4Å; F252-H288 AromaticContact CZ-CD2 3.56Å; F252-H288 AromaticContact CZ-CE1 3.6Å; F252-H288 AromaticContact CZ-NE2 3.24Å; F252-H288 WeakPolarHBondContact CZ-NE2 3.39Å; F252-Y296 HydrophobicContact CE1-CE1 4.25Å
253	G	86.9	Confident	95.9	Very high	84 Å²	84	30.4 Å²	30.4	87%	0.866	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	103	-22	-179	0	0	0	0	0	113.5	M251	M251-G253 PolarHBondContact O-N 3.04Å
254	G	91.3	Very high	95.9	Very high	29 Å²	29	31.7 Å²	31.7	30%	0.299	22%	0.219	S	C	.	.			trans	66	174.8	174.3	0	0	0	0	0	114.6	A249 M251	A249-G254 CarbonylContact O-C 3.6Å; A249-G254 VanDerWaalsContact O-CA 3.25Å; A249-G254 WeakPolarHBondContact O-CA 3.46Å; M251-G254 PolarHBondContact O-N 3.23Å; M251-G254 VanDerWaalsContact O-N 3.08Å
255	F	94.9	Very high	95.9	Very high	24 Å²	24	34.9 Å²	34.9	11%	0.105	25%	0.252	C	S	.	.			trans	-90.5	164.2	170.6	-60.3	-26.8	0	0	0	112.3	L218 V223 A249 F259 Y260	L218-F255 HydrophobicContact CD2-CE2 4.14Å; L218-F255 HydrophobicContact CG-CE2 4.15Å; L218-F255 HydrophobicContact CG-CZ 4.19Å; L218-F255 WeakPolarHBondContact O-CZ 3.49Å; V223-F255 HydrophobicContact CG1-CE1 4.22Å; V223-F255 HydrophobicContact CG1-CE2 4.47Å; V223-F255 HydrophobicContact CG1-CZ 3.67Å; V223-F255 HydrophobicContact CG2-CE1 3.7Å; V223-F255 HydrophobicContact CG2-CZ 4.04Å; A249-F255 HydrophobicContact CB-CD2 3.77Å; A249-F255 HydrophobicContact CB-CE2 3.54Å; A249-F255 HydrophobicContact CB-CZ 4.3Å; A249-F255 PolarHBondContact O-N 2.73Å; F255-F259 HydrophobicContact CB-CB 3.94Å; F255-F259 HydrophobicContact CB-CD1 3.81Å; F255-F259 HydrophobicContact CB-CG 3.84Å; F255-F259 AromaticContact CD2-CD1 3.73Å; F255-F259 HydrophobicContact CD2-CD1 3.73Å; F255-F259 AromaticContact CD2-CD2 3.84Å; F255-F259 HydrophobicContact CD2-CD2 3.84Å; F255-F259 AromaticContact CD2-CE1 3.63Å; F255-F259 HydrophobicContact CD2-CE1 3.63Å; F255-F259 AromaticContact CD2-CE2 3.72Å; F255-F259 HydrophobicContact CD2-CE2 3.72Å; F255-F259 AromaticContact CD2-CG 3.86Å; F255-F259 HydrophobicContact CD2-CG 3.86Å; F255-F259 AromaticContact CD2-CZ 3.62Å; F255-F259 HydrophobicContact CD2-CZ 3.62Å; F255-F259 HydrophobicContact CE2-CE1 4.41Å; F255-F259 HydrophobicContact CE2-CE2 4.08Å; F255-F259 HydrophobicContact CE2-CZ 4.01Å; F255-F259 HydrophobicContact CG-CD1 4.28Å; F255-F259 HydrophobicContact CG-CG 4.28Å; F255-Y260 HydrophobicContact CB-CE2 4.17Å; F255-Y260 WeakPolarHBondContact O-CE2 3.25Å
256	S	95.9	Very high	95.9	Very high	56 Å²	56	39.1 Å²	39.1	39%	0.392	27%	0.27	S	S	.	.			trans	-65.6	155.8	178.1	72.7	0	0	0	0	111.9	A100 S258 F259 Y260	A100-S256 VanDerWaalsContact CB-OG 3.28Å; A100-S256 WeakPolarHBondContact CB-OG 3.37Å; S256-S258 PolarHBondContact O-N 2.95Å; S256-S258 VanDerWaalsContact O-N 3.08Å; S256-S258 PolarHBondContact OG-OG 2.84Å; S256-F259 WeakPolarHBondContact O-CB 3.46Å; S256-F259 PolarHBondContact O-N 3.43Å; S256-Y260 WeakPolarHBondContact O-CD2 3.47Å
257	S	96.6	Very high	95.9	Very high	94 Å²	94	40.2 Å²	40.2	66%	0.657	28%	0.276	S	S	*	.	H	α-helix	trans	-55.9	-28	175.9	57.3	0	0	0	0	113.4	F259 Y260 S261	S257-F259 VanDerWaalsContact C-N 3.34Å; S257-F259 PolarHBondContact O-N 2.96Å; S257-Y260 PolarHBondContact O-N 2.85Å; S257-S261 WeakPolarHBondContact O-CB 3.49Å; S257-S261 PolarHBondContact O-N 2.9Å; S257-S261 PolarHBondContact O-OG 3.15Å
258	S	98	Very high	96	Very high	47 Å²	47	45 Å²	45	33%	0.329	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-34.8	176.9	75.1	0	0	0	0	112.9	S256 A262	S256-S258 PolarHBondContact O-N 2.95Å; S256-S258 VanDerWaalsContact O-N 3.08Å; S256-S258 PolarHBondContact OG-OG 2.84Å; S258-A262 WeakPolarHBondContact O-CB 3.49Å; S258-A262 PolarHBondContact O-N 3.1Å; S258-A262 VanDerWaalsContact O-N 3.1Å
259	F	98.4	Very high	96	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-53.2	172.2	165.5	-85.6	0	0	0	110.3	A100 L103 G104 L107 L246 F255 S256 S257 S261 A262 Y263	A100-F259 HydrophobicContact CB-CB 4.48Å; A100-F259 WeakPolarHBondContact O-CA 3.35Å; A100-F259 WeakPolarHBondContact O-CB 3.5Å; L103-F259 HydrophobicContact CB-CD2 4.15Å; L103-F259 HydrophobicContact CB-CE2 4.49Å; L103-F259 HydrophobicContact CD2-CD2 4.05Å; L103-F259 HydrophobicContact CD2-CE2 4.06Å; L103-F259 HydrophobicContact CG-CD2 3.92Å; L103-F259 HydrophobicContact CG-CE2 3.83Å; G104-F259 VanDerWaalsContact N-CD2 3.3Å; L107-F259 HydrophobicContact CD2-CE2 3.98Å; L107-F259 HydrophobicContact CD2-CZ 3.56Å; L246-F259 HydrophobicContact CD2-CE1 4.16Å; F255-F259 HydrophobicContact CB-CB 3.94Å; F255-F259 HydrophobicContact CB-CD1 3.81Å; F255-F259 HydrophobicContact CB-CG 3.84Å; F255-F259 AromaticContact CD2-CD1 3.73Å; F255-F259 HydrophobicContact CD2-CD1 3.73Å; F255-F259 AromaticContact CD2-CD2 3.84Å; F255-F259 HydrophobicContact CD2-CD2 3.84Å; F255-F259 AromaticContact CD2-CE1 3.63Å; F255-F259 HydrophobicContact CD2-CE1 3.63Å; F255-F259 AromaticContact CD2-CE2 3.72Å; F255-F259 HydrophobicContact CD2-CE2 3.72Å; F255-F259 AromaticContact CD2-CG 3.86Å; F255-F259 HydrophobicContact CD2-CG 3.86Å; F255-F259 AromaticContact CD2-CZ 3.62Å; F255-F259 HydrophobicContact CD2-CZ 3.62Å; F255-F259 HydrophobicContact CE2-CE1 4.41Å; F255-F259 HydrophobicContact CE2-CE2 4.08Å; F255-F259 HydrophobicContact CE2-CZ 4.01Å; F255-F259 HydrophobicContact CG-CD1 4.28Å; F255-F259 HydrophobicContact CG-CG 4.28Å; S256-F259 WeakPolarHBondContact O-CB 3.46Å; S256-F259 PolarHBondContact O-N 3.43Å; S257-F259 VanDerWaalsContact C-N 3.34Å; S257-F259 PolarHBondContact O-N 2.96Å; F259-S261 VanDerWaalsContact C-N 3.33Å; F259-S261 PolarHBondContact O-N 2.83Å; F259-A262 PolarHBondContact O-N 3.42Å; F259-Y263 WeakPolarHBondContact O-CB 3.31Å; F259-Y263 PolarHBondContact O-N 3.06Å
260	Y	98.2	Very high	96.1	Very high	57 Å²	57	51.2 Å²	51.2	22%	0.224	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-37.9	-177	-66.8	-73.2	0	0	0	112.3	L246 A249 G250 F255 S256 S257 Y263 H264	L246-Y260 HydrophobicContact CD2-CD1 4.49Å; L246-Y260 HydrophobicContact CD2-CE1 4.36Å; A249-Y260 VanDerWaalsContact C-OH 3.27Å; A249-Y260 PolarHBondContact O-OH 3.41Å; G250-Y260 WeakPolarHBondContact CA-OH 3.42Å; G250-Y260 PolarHBondContact N-OH 3.37Å; F255-Y260 HydrophobicContact CB-CE2 4.17Å; F255-Y260 WeakPolarHBondContact O-CE2 3.25Å; S256-Y260 WeakPolarHBondContact O-CD2 3.47Å; S257-Y260 PolarHBondContact O-N 2.85Å; Y260-Y263 PolarHBondContact O-N 3.36Å; Y260-H264 WeakPolarHBondContact O-CB 3.13Å; Y260-H264 PolarHBondContact O-CD2 3.34Å; Y260-H264 VanDerWaalsContact O-CD2 3.31Å; Y260-H264 PolarHBondContact O-N 2.93Å
261	S	98.4	Very high	96.3	Very high	82 Å²	82	55.3 Å²	55.3	57%	0.573	36%	0.36	S	S	*	.	H	α-helix	trans	-63	-44	176.9	-57.2	0	0	0	0	111	S257 F259 G265	S257-S261 WeakPolarHBondContact O-CB 3.49Å; S257-S261 PolarHBondContact O-N 2.9Å; S257-S261 PolarHBondContact O-OG 3.15Å; F259-S261 VanDerWaalsContact C-N 3.33Å; F259-S261 PolarHBondContact O-N 2.83Å; S261-G265 PolarHBondContact O-N 2.79Å
262	A	98.7	Very high	96.4	Very high	27 Å²	27	57.1 Å²	57.1	22%	0.223	38%	0.38	C	S	.	.	H	α-helix	trans	-67.7	-40.9	177.4	0	0	0	0	0	112.6	A101 A105 S258 F259	A101-A262 HydrophobicContact CB-CB 4.28Å; A101-A262 WeakPolarHBondContact O-CB 3.48Å; A105-A262 HydrophobicContact CB-CB 4.35Å; S258-A262 WeakPolarHBondContact O-CB 3.49Å; S258-A262 PolarHBondContact O-N 3.1Å; S258-A262 VanDerWaalsContact O-N 3.1Å; F259-A262 PolarHBondContact O-N 3.42Å
263	Y	98.8	Very high	96.9	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-52.7	176.1	-177.2	-82.9	0	0	0	111.3	G104 L107 A108 H111 L246 F259 Y260 G265 K266 I267	G104-Y263 WeakPolarHBondContact O-CA 3.36Å; L107-Y263 HydrophobicContact CB-CD2 4.25Å; L107-Y263 HydrophobicContact CB-CE2 4.45Å; L107-Y263 HydrophobicContact CD2-CD2 4.12Å; L107-Y263 HydrophobicContact CD2-CE2 4.07Å; L107-Y263 HydrophobicContact CG-CD2 4.3Å; L107-Y263 HydrophobicContact CG-CE2 4.09Å; A108-Y263 HydrophobicContact CB-CD2 3.74Å; A108-Y263 HydrophobicContact CB-CE2 4.01Å; A108-Y263 HydrophobicContact CB-CG 4.24Å; H111-Y263 AromaticContact ND1-CE2 3.51Å; H111-Y263 AromaticContact ND1-CZ 3.6Å; H111-Y263 PolarHBondContact ND1-OH 2.95Å; L246-Y263 HydrophobicContact CD1-CD1 4.06Å; L246-Y263 HydrophobicContact CD1-CE1 3.63Å; L246-Y263 HydrophobicContact CD2-CD1 4.06Å; L246-Y263 HydrophobicContact CD2-CD2 4.36Å; L246-Y263 HydrophobicContact CD2-CE1 4.03Å; L246-Y263 HydrophobicContact CD2-CE2 4.31Å; L246-Y263 HydrophobicContact CD2-CG 4.24Å; L246-Y263 HydrophobicContact CG-CE1 4.17Å; F259-Y263 WeakPolarHBondContact O-CB 3.31Å; F259-Y263 PolarHBondContact O-N 3.06Å; Y260-Y263 PolarHBondContact O-N 3.36Å; Y263-G265 VanDerWaalsContact C-N 3.27Å; Y263-G265 PolarHBondContact O-N 2.64Å; Y263-K266 PolarHBondContact O-N 3.11Å; Y263-I267 HydrophobicContact CD1-CB 4.48Å; Y263-I267 HydrophobicContact CE1-CB 3.91Å; Y263-I267 HydrophobicContact CE1-CD1 4.17Å; Y263-I267 HydrophobicContact CE1-CG2 4.31Å; Y263-I267 HydrophobicContact CE2-CD1 4.19Å; Y263-I267 PolarHBondContact O-N 3.29Å; Y263-I267 WeakPolarHBondContact OH-CD1 3.37Å
264	H	98.6	Very high	97.4	Very high	37 Å²	37	54.6 Å²	54.6	17%	0.171	35%	0.347	C	S	.	.	H	α-helix	trans	-72.5	-18.1	-177.5	-71.4	-53	0	0	0	114.2	Y260 K266 I267 K269	Y260-H264 WeakPolarHBondContact O-CB 3.13Å; Y260-H264 PolarHBondContact O-CD2 3.34Å; Y260-H264 VanDerWaalsContact O-CD2 3.31Å; Y260-H264 PolarHBondContact O-N 2.93Å; H264-K266 PolarHBondContact O-N 3.26Å; H264-I267 WeakPolarHBondContact CA-O 3.31Å; H264-I267 PolarHBondContact ND1-O 3.02Å; H264-I267 CarbonylContact O-C 3.59Å; H264-K269 WeakPolarHBondContact CE1-CG 3.46Å; H264-K269 VanDerWaalsContact NE2-CE 3.28Å; H264-K269 WeakPolarHBondContact NE2-CE 3.5Å
265	G	98.6	Very high	97.7	Very high	67 Å²	67	58.6 Å²	58.6	69%	0.691	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.6	166.6	0	0	0	0	0	113.3	S261 Y263	S261-G265 PolarHBondContact O-N 2.79Å; Y263-G265 VanDerWaalsContact C-N 3.27Å; Y263-G265 PolarHBondContact O-N 2.64Å
266	K	98.7	Very high	97.9	Very high	89 Å²	89	57.7 Å²	57.7	39%	0.387	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-37.9	176.2	-68	-171.7	172	-161.9	0	113.3	A108 D109 L112 Y263 H264	A108-K266 HydrophobicContact CB-CB 3.7Å; A108-K266 HydrophobicContact CB-CD 3.94Å; A108-K266 HydrophobicContact CB-CG 4.36Å; D109-K266 IonicContact OD1-NZ 3.88Å; D109-K266 PolarHBondContact OD1-NZ 3.49Å; D109-K266 IonicContact OD2-NZ 2.64Å; D109-K266 PolarHBondContact OD2-NZ 3.24Å; L112-K266 HydrophobicContact CD1-CB 4.3Å; Y263-K266 PolarHBondContact O-N 3.11Å; H264-K266 PolarHBondContact O-N 3.26Å
267	I	98.4	Very high	98	Very high	28 Å²	28	56.3 Å²	56.3	14%	0.144	34%	0.34	C	S	.	.	S	Bend	trans	-122.8	89.3	178.4	-55.3	172.9	0	0	0	108.7	A108 H111 L112 Y263 H264	A108-I267 HydrophobicContact CB-CD1 3.94Å; A108-I267 HydrophobicContact CB-CG1 4.13Å; H111-I267 HydrophobicContact CB-CD1 3.83Å; L112-I267 HydrophobicContact CD1-CD1 4.38Å; L112-I267 HydrophobicContact CD1-CG1 3.93Å; L112-I267 HydrophobicContact CD2-CD1 4.38Å; L112-I267 HydrophobicContact CD2-CG1 4.12Å; L112-I267 HydrophobicContact CG-CD1 3.94Å; L112-I267 HydrophobicContact CG-CG1 3.91Å; Y263-I267 HydrophobicContact CD1-CB 4.48Å; Y263-I267 HydrophobicContact CE1-CB 3.91Å; Y263-I267 HydrophobicContact CE1-CD1 4.17Å; Y263-I267 HydrophobicContact CE1-CG2 4.31Å; Y263-I267 HydrophobicContact CE2-CD1 4.19Å; Y263-I267 PolarHBondContact O-N 3.29Å; Y263-I267 WeakPolarHBondContact OH-CD1 3.37Å; H264-I267 WeakPolarHBondContact CA-O 3.31Å; H264-I267 PolarHBondContact ND1-O 3.02Å; H264-I267 CarbonylContact O-C 3.59Å
268	P	98	Very high	98.1	Very high	99 Å²	99	54.9 Å²	54.9	64%	0.643	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-58.2	146.9	178.4	-24.7	34.9	0	0	0	112	A270	P268-A270 PolarHBondContact O-N 3.25Å
269	K	97.8	Very high	98.1	Very high	104 Å²	104	52.6 Å²	52.6	45%	0.452	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-61.5	123.9	174.3	-68.9	-177.4	173.1	-170.1	0	109.9	H264 F273 E274	H264-K269 WeakPolarHBondContact CE1-CG 3.46Å; H264-K269 VanDerWaalsContact NE2-CE 3.28Å; H264-K269 WeakPolarHBondContact NE2-CE 3.5Å; K269-F273 HydrophobicContact CB-CB 4.05Å; K269-F273 HydrophobicContact CB-CD1 4.47Å; K269-F273 HydrophobicContact CB-CD2 4.36Å; K269-F273 HydrophobicContact CB-CG 4.04Å; K269-F273 HydrophobicContact CD-CD1 3.6Å; K269-F273 HydrophobicContact CD-CE1 3.92Å; K269-F273 HydrophobicContact CD-CG 4.02Å; K269-F273 VanDerWaalsContact CE-CE1 3.47Å; K269-F273 HydrophobicContact CG-CB 4.43Å; K269-F273 HydrophobicContact CG-CD1 3.96Å; K269-F273 HydrophobicContact CG-CD2 4.11Å; K269-F273 HydrophobicContact CG-CE1 4.26Å; K269-F273 HydrophobicContact CG-CE2 4.43Å; K269-F273 HydrophobicContact CG-CG 3.89Å; K269-F273 HydrophobicContact CG-CZ 4.5Å; K269-E274 IonicContact NZ-OE1 2.73Å; K269-E274 PolarHBondContact NZ-OE1 3.17Å
270	A	97.1	Very high	98.1	Very high	27 Å²	27	52.6 Å²	52.6	22%	0.223	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-74.4	154.7	172.4	0	0	0	0	0	110.9	L207 P268 G272 F273 R276	L207-A270 HydrophobicContact CD2-CB 3.77Å; P268-A270 PolarHBondContact O-N 3.25Å; A270-G272 PolarHBondContact O-N 3.42Å; A270-F273 WeakPolarHBondContact O-CB 3.26Å; A270-F273 PolarHBondContact O-N 3.45Å; A270-R276 PolarHBondContact O-NH2 2.94Å
271	P	96.8	Very high	98.1	Very high	120 Å²	120	51.8 Å²	51.8	78%	0.779	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	136.9	172.3	-27.1	35.8	0	0	0	111.7	F273 R276	P271-F273 VanDerWaalsContact C-N 3.32Å; P271-F273 PolarHBondContact O-N 3.22Å; P271-R276 VanDerWaalsContact O-CZ 3.32Å; P271-R276 PolarHBondContact O-NH1 2.89Å; P271-R276 PolarHBondContact O-NH2 3.44Å
272	G	96.9	Very high	98.1	Very high	44 Å²	44	47.9 Å²	47.9	45%	0.454	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	2.9	-176.7	0	0	0	0	0	115.8	A270 E274 K275 R276	A270-G272 PolarHBondContact O-N 3.42Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 PolarHBondContact O-N 2.89Å; G272-K275 PolarHBondContact O-N 2.86Å; G272-K275 VanDerWaalsContact O-N 3.12Å; G272-R276 PolarHBondContact O-N 2.88Å
273	F	97.8	Very high	98.1	Very high	10 Å²	10	46.7 Å²	46.7	4%	0.044	27%	0.268	C	S	.	.	H	α-helix	trans	-45.6	-49.2	-179.3	172.7	-91.9	0	0	0	113.3	E243 L246 K269 A270 P271 K275 R276 L277	E243-F273 HydrophobicContact CB-CE2 4.27Å; E243-F273 VanDerWaalsContact CD-CD2 3.46Å; E243-F273 HydrophobicContact CG-CD2 3.81Å; E243-F273 HydrophobicContact CG-CE2 3.87Å; E243-F273 WeakPolarHBondContact OE1-CD2 3.44Å; L246-F273 HydrophobicContact CB-CZ 4.45Å; L246-F273 HydrophobicContact CD1-CE2 3.7Å; L246-F273 HydrophobicContact CD1-CZ 3.76Å; K269-F273 HydrophobicContact CB-CB 4.05Å; K269-F273 HydrophobicContact CB-CD1 4.47Å; K269-F273 HydrophobicContact CB-CD2 4.36Å; K269-F273 HydrophobicContact CB-CG 4.04Å; K269-F273 HydrophobicContact CD-CD1 3.6Å; K269-F273 HydrophobicContact CD-CE1 3.92Å; K269-F273 HydrophobicContact CD-CG 4.02Å; K269-F273 VanDerWaalsContact CE-CE1 3.47Å; K269-F273 HydrophobicContact CG-CB 4.43Å; K269-F273 HydrophobicContact CG-CD1 3.96Å; K269-F273 HydrophobicContact CG-CD2 4.11Å; K269-F273 HydrophobicContact CG-CE1 4.26Å; K269-F273 HydrophobicContact CG-CE2 4.43Å; K269-F273 HydrophobicContact CG-CG 3.89Å; K269-F273 HydrophobicContact CG-CZ 4.5Å; A270-F273 WeakPolarHBondContact O-CB 3.26Å; A270-F273 PolarHBondContact O-N 3.45Å; P271-F273 VanDerWaalsContact C-N 3.32Å; P271-F273 PolarHBondContact O-N 3.22Å; F273-K275 VanDerWaalsContact C-N 3.31Å; F273-K275 PolarHBondContact O-N 3.36Å; F273-R276 PolarHBondContact O-N 2.95Å; F273-R276 VanDerWaalsContact O-N 3.1Å; F273-L277 HydrophobicContact CE1-CB 4.29Å; F273-L277 HydrophobicContact CE1-CD2 3.96Å; F273-L277 HydrophobicContact CZ-CB 4.47Å; F273-L277 HydrophobicContact CZ-CD1 4.12Å; F273-L277 HydrophobicContact CZ-CD2 4.32Å; F273-L277 WeakPolarHBondContact O-CB 3.4Å; F273-L277 PolarHBondContact O-N 3.31Å
274	E	97.5	Very high	98	Very high	104 Å²	104	46.6 Å²	46.6	49%	0.486	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-34.3	-173.8	-56.8	-59.2	157	0	0	112.9	K269 G272 Q278	K269-E274 IonicContact NZ-OE1 2.73Å; K269-E274 PolarHBondContact NZ-OE1 3.17Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 PolarHBondContact O-N 2.89Å; E274-Q278 PolarHBondContact O-N 2.82Å
275	K	97.6	Very high	98	Very high	112 Å²	112	47.2 Å²	47.2	49%	0.487	27%	0.269	S	S	.	.	H	α-helix	trans	-71.5	-39.6	174.8	-70.8	-169.3	175	-167.8	0	111.6	L203 G272 F273 Q278 L279 L307	L203-K275 HydrophobicContact CD2-CB 4.02Å; L203-K275 HydrophobicContact CD2-CD 4.06Å; G272-K275 PolarHBondContact O-N 2.86Å; G272-K275 VanDerWaalsContact O-N 3.12Å; F273-K275 VanDerWaalsContact C-N 3.31Å; F273-K275 PolarHBondContact O-N 3.36Å; K275-Q278 PolarHBondContact O-N 2.78Å; K275-L279 PolarHBondContact O-N 2.97Å; K275-L279 VanDerWaalsContact O-N 3.11Å; K275-L307 HydrophobicContact CB-CD2 4.38Å; K275-L307 WeakPolarHBondContact O-CD2 3.34Å
276	R	98.4	Very high	97.9	Very high	5 Å²	5	44 Å²	44	2%	0.019	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-37.4	175.6	-71.2	-171.2	-62.2	-82	1.4	111.8	L203 F204 E243 A270 P271 G272 F273 Q278 L279 Y280	L203-R276 HydrophobicContact CB-CG 4.22Å; L203-R276 WeakPolarHBondContact O-CD 3.37Å; L203-R276 PolarHBondContact O-NH1 2.87Å; L203-R276 VanDerWaalsContact O-NH1 3.11Å; F204-R276 VanDerWaalsContact CD1-CD 3.48Å; F204-R276 HydrophobicContact CD1-CG 4.43Å; F204-R276 HydrophobicContact CE1-CG 4.01Å; F204-R276 HydrophobicContact CZ-CG 4.17Å; E243-R276 IonicContact OE1-CZ 3.44Å; E243-R276 IonicContact OE1-NE 3.9Å; E243-R276 IonicContact OE1-NH2 2.75Å; E243-R276 PolarHBondContact OE1-NH2 3.03Å; E243-R276 IonicContact OE2-CZ 3.24Å; E243-R276 IonicContact OE2-NE 2.82Å; E243-R276 PolarHBondContact OE2-NE 3.44Å; E243-R276 IonicContact OE2-NH2 2.6Å; E243-R276 PolarHBondContact OE2-NH2 3.2Å; A270-R276 PolarHBondContact O-NH2 2.94Å; P271-R276 VanDerWaalsContact O-CZ 3.32Å; P271-R276 PolarHBondContact O-NH1 2.89Å; P271-R276 PolarHBondContact O-NH2 3.44Å; G272-R276 PolarHBondContact O-N 2.88Å; F273-R276 PolarHBondContact O-N 2.95Å; F273-R276 VanDerWaalsContact O-N 3.1Å; R276-Q278 VanDerWaalsContact C-N 3.3Å; R276-Q278 PolarHBondContact O-N 3.49Å; R276-L279 CarbonylContact O-C 3.53Å; R276-L279 WeakPolarHBondContact O-CA 3.32Å; R276-L279 WeakPolarHBondContact O-CB 3.28Å; R276-L279 PolarHBondContact O-N 2.87Å; R276-L279 VanDerWaalsContact O-N 3.08Å; R276-Y280 HydrophobicContact CB-CD2 4.43Å; R276-Y280 HydrophobicContact CB-CE2 4.05Å; R276-Y280 WeakPolarHBondContact O-CD2 2.88Å; R276-Y280 PolarHBondContact O-N 2.89Å
277	L	98.3	Very high	97.8	Very high	27 Å²	27	40 Å²	40	14%	0.141	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-44.9	173.6	-172.7	69.7	0	0	0	111.1	L246 A247 F273 L279 Y280 Q281	L246-L277 HydrophobicContact CB-CD1 4.04Å; A247-L277 HydrophobicContact CB-CD1 4.08Å; F273-L277 HydrophobicContact CE1-CB 4.29Å; F273-L277 HydrophobicContact CE1-CD2 3.96Å; F273-L277 HydrophobicContact CZ-CB 4.47Å; F273-L277 HydrophobicContact CZ-CD1 4.12Å; F273-L277 HydrophobicContact CZ-CD2 4.32Å; F273-L277 WeakPolarHBondContact O-CB 3.4Å; F273-L277 PolarHBondContact O-N 3.31Å; L277-L279 PolarHBondContact O-N 2.92Å; L277-Y280 PolarHBondContact O-N 3.5Å; L277-Q281 VanDerWaalsContact O-CG 3.31Å; L277-Q281 WeakPolarHBondContact O-CG 3.42Å; L277-Q281 PolarHBondContact O-N 3.26Å
278	Q	98.3	Very high	97.6	Very high	64 Å²	64	40 Å²	40	30%	0.299	22%	0.217	S	C	.	.	H	α-helix	trans	-60.8	-43.4	173.6	-72	-178.4	-35.5	0	0	112.2	E274 K275 R276 Y280 Q281 L282 I303 L307	E274-Q278 PolarHBondContact O-N 2.82Å; K275-Q278 PolarHBondContact O-N 2.78Å; R276-Q278 VanDerWaalsContact C-N 3.3Å; R276-Q278 PolarHBondContact O-N 3.49Å; Q278-Y280 VanDerWaalsContact C-N 3.27Å; Q278-Y280 PolarHBondContact O-N 3.16Å; Q278-Q281 PolarHBondContact O-N 3.48Å; Q278-L282 PolarHBondContact O-N 3.18Å; Q278-I303 HydrophobicContact CB-CG2 4.21Å; Q278-I303 WeakPolarHBondContact O-CG2 3.41Å; Q278-L307 HydrophobicContact CB-CD1 4.49Å; Q278-L307 HydrophobicContact CB-CD2 4.16Å
279	L	98.6	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-36.2	176	178	66.7	0	0	0	112.2	Y168 L196 I200 L203 F204 K275 R276 L277 L282 L307	Y168-L279 HydrophobicContact CD1-CD2 4.26Å; Y168-L279 HydrophobicContact CE1-CD1 4.15Å; Y168-L279 HydrophobicContact CE1-CD2 3.92Å; Y168-L279 HydrophobicContact CE1-CG 3.71Å; Y168-L279 PolarHBondContact OH-O 3.26Å; L196-L279 HydrophobicContact CD2-CD1 4.32Å; I200-L279 HydrophobicContact CD1-CD1 4.14Å; I200-L279 HydrophobicContact CG1-CD1 4.11Å; I200-L279 HydrophobicContact CG1-CD2 4.19Å; I200-L279 HydrophobicContact CG2-CD2 4.27Å; L203-L279 HydrophobicContact CD1-CB 4.44Å; L203-L279 HydrophobicContact CD1-CD2 3.93Å; F204-L279 HydrophobicContact CE2-CD2 3.69Å; F204-L279 HydrophobicContact CZ-CD2 3.92Å; K275-L279 PolarHBondContact O-N 2.97Å; K275-L279 VanDerWaalsContact O-N 3.11Å; R276-L279 CarbonylContact O-C 3.53Å; R276-L279 WeakPolarHBondContact O-CA 3.32Å; R276-L279 WeakPolarHBondContact O-CB 3.28Å; R276-L279 PolarHBondContact O-N 2.87Å; R276-L279 VanDerWaalsContact O-N 3.08Å; L277-L279 PolarHBondContact O-N 2.92Å; L279-L282 HydrophobicContact CD1-CD2 4.44Å; L279-L282 WeakPolarHBondContact O-CB 3.41Å; L279-L282 PolarHBondContact O-N 3.19Å; L279-L307 HydrophobicContact CB-CD1 3.92Å; L279-L307 HydrophobicContact CD1-CD1 4.1Å
280	Y	98.7	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-72.2	-39	174.8	-66	-45.1	0	0	0	112.7	W164 Y168 F204 H241 E243 Y244 R276 L277 Q278 L282 F283 H284	W164-Y280 AromaticContact CZ2-CE1 3.62Å; W164-Y280 HydrophobicContact CZ2-CE1 3.62Å; W164-Y280 AromaticContact CZ2-CZ 3.89Å; W164-Y280 WeakPolarHBondContact CZ2-OH 3.44Å; W164-Y280 PolarHBondContact NE1-OH 2.78Å; Y168-Y280 HydrophobicContact CD1-CE1 4.38Å; Y168-Y280 HydrophobicContact CD2-CD1 4.24Å; Y168-Y280 AromaticContact CD2-CE1 3.89Å; Y168-Y280 HydrophobicContact CD2-CE1 3.89Å; Y168-Y280 HydrophobicContact CE1-CD1 4.15Å; Y168-Y280 HydrophobicContact CE1-CE1 4.15Å; Y168-Y280 AromaticContact CE2-CD1 3.52Å; Y168-Y280 HydrophobicContact CE2-CD1 3.52Å; Y168-Y280 AromaticContact CE2-CE1 3.65Å; Y168-Y280 HydrophobicContact CE2-CE1 3.65Å; Y168-Y280 HydrophobicContact CG-CE1 4.26Å; Y168-Y280 AromaticContact CZ-CD1 3.46Å; Y168-Y280 VanDerWaalsContact CZ-CD1 3.46Å; Y168-Y280 AromaticContact CZ-CE1 3.78Å; Y168-Y280 WeakPolarHBondContact OH-CA 3.49Å; Y168-Y280 WeakPolarHBondContact OH-CD1 3.45Å; F204-Y280 WeakPolarHBondContact CE1-OH 3.28Å; F204-Y280 HydrophobicContact CZ-CE1 4.41Å; F204-Y280 AromaticContact CZ-CZ 3.97Å; F204-Y280 WeakPolarHBondContact CZ-OH 3.48Å; H241-Y280 WeakPolarHBondContact CB-OH 3.46Å; H241-Y280 AromaticContact ND1-CE2 3.88Å; H241-Y280 AromaticContact ND1-CZ 3.73Å; H241-Y280 PolarHBondContact ND1-OH 3.16Å; E243-Y280 HydrophobicContact CB-CD2 4.2Å; E243-Y280 HydrophobicContact CB-CE2 3.72Å; Y244-Y280 AromaticContact CD2-CD1 3.71Å; Y244-Y280 HydrophobicContact CD2-CD1 3.71Å; Y244-Y280 HydrophobicContact CD2-CE1 4.22Å; Y244-Y280 HydrophobicContact CD2-CG 4.34Å; Y244-Y280 HydrophobicContact CG-CD1 4.35Å; R276-Y280 HydrophobicContact CB-CD2 4.43Å; R276-Y280 HydrophobicContact CB-CE2 4.05Å; R276-Y280 WeakPolarHBondContact O-CD2 2.88Å; R276-Y280 PolarHBondContact O-N 2.89Å; L277-Y280 PolarHBondContact O-N 3.5Å; Q278-Y280 VanDerWaalsContact C-N 3.27Å; Q278-Y280 PolarHBondContact O-N 3.16Å; Y280-L282 PolarHBondContact O-N 3.4Å; Y280-F283 WeakPolarHBondContact O-CB 3.23Å; Y280-F283 PolarHBondContact O-N 2.89Å; Y280-H284 PolarHBondContact O-CD2 3.38Å; Y280-H284 VanDerWaalsContact O-CD2 3.28Å
281	Q	98.4	Very high	97.1	Very high	40 Å²	40	32.9 Å²	32.9	19%	0.187	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-34.4	172.3	-71.8	172.5	-24.9	0	0	111.9	A247 M251 L277 Q278 F283 H284 Y285 I303	A247-Q281 HydrophobicContact CB-CG 3.77Å; M251-Q281 HydrophobicContact CG-CG 4.28Å; M251-Q281 HydrophobicContact SD-CB 4.16Å; M251-Q281 HydrophobicContact SD-CG 3.99Å; L277-Q281 VanDerWaalsContact O-CG 3.31Å; L277-Q281 WeakPolarHBondContact O-CG 3.42Å; L277-Q281 PolarHBondContact O-N 3.26Å; Q278-Q281 PolarHBondContact O-N 3.48Å; Q281-F283 VanDerWaalsContact C-N 3.3Å; Q281-F283 PolarHBondContact O-N 3.34Å; Q281-H284 PolarHBondContact O-N 2.88Å; Q281-H284 VanDerWaalsContact O-N 3.15Å; Q281-Y285 HydrophobicContact CB-CD2 4.3Å; Q281-Y285 HydrophobicContact CB-CE2 4.28Å; Q281-Y285 VanDerWaalsContact O-CD2 3.26Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.21Å; Q281-Y285 PolarHBondContact O-N 3.34Å; Q281-I303 HydrophobicContact CB-CD1 4.03Å
282	L	98.5	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55.4	-44.4	175.7	179	59.6	0	0	0	111.8	I173 L196 Q278 L279 Y280 H284 Y285 L286 I303 M304	I173-L282 HydrophobicContact CD1-CG 4.49Å; L196-L282 HydrophobicContact CD2-CD2 3.62Å; Q278-L282 PolarHBondContact O-N 3.18Å; L279-L282 HydrophobicContact CD1-CD2 4.44Å; L279-L282 WeakPolarHBondContact O-CB 3.41Å; L279-L282 PolarHBondContact O-N 3.19Å; Y280-L282 PolarHBondContact O-N 3.4Å; L282-H284 VanDerWaalsContact C-N 3.32Å; L282-H284 PolarHBondContact O-N 2.97Å; L282-Y285 PolarHBondContact O-N 2.96Å; L282-L286 HydrophobicContact CD1-CD1 3.98Å; L282-L286 HydrophobicContact CD1-CD2 4.43Å; L282-L286 HydrophobicContact CD1-CG 3.91Å; L282-L286 HydrophobicContact CG-CD1 3.85Å; L282-L286 HydrophobicContact CG-CG 4.25Å; L282-L286 WeakPolarHBondContact O-CB 3.26Å; L282-L286 VanDerWaalsContact O-CG 3.28Å; L282-L286 WeakPolarHBondContact O-CG 3.35Å; L282-L286 PolarHBondContact O-N 3.49Å; L282-I303 HydrophobicContact CB-CG2 3.87Å; L282-I303 HydrophobicContact CD1-CG2 4.43Å; L282-M304 HydrophobicContact CD1-CG 3.61Å; L282-M304 HydrophobicContact CD1-SD 4.12Å; L282-M304 HydrophobicContact CD2-CG 3.65Å; L282-M304 HydrophobicContact CG-CG 4.3Å
283	F	98.2	Very high	96.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-55.5	-49.6	176.7	168.7	-96.4	0	0	0	111.1	Y168 R172 I173 Q176 Y244 Y280 Q281 Y285 L286 N287	Y168-F283 WeakPolarHBondContact OH-CB 3.29Å; R172-F283 HydrophobicContact CB-CD2 3.8Å; R172-F283 HydrophobicContact CB-CE2 3.99Å; R172-F283 WeakPolarHBondContact O-CD2 3.27Å; R172-F283 WeakPolarHBondContact O-CE2 3.39Å; I173-F283 HydrophobicContact CD1-CB 3.68Å; I173-F283 HydrophobicContact CD1-CD2 4.41Å; Q176-F283 HydrophobicContact CG-CD2 4.11Å; Q176-F283 HydrophobicContact CG-CE2 3.98Å; Y244-F283 AromaticContact CE2-CD1 3.93Å; Y244-F283 HydrophobicContact CE2-CD1 3.93Å; Y244-F283 HydrophobicContact CE2-CE1 4.42Å; Y244-F283 HydrophobicContact CE2-CG 4.34Å; Y244-F283 AromaticContact CZ-CD1 3.92Å; Y244-F283 WeakPolarHBondContact OH-CD1 3.44Å; Y244-F283 WeakPolarHBondContact OH-CE1 3.38Å; Y280-F283 WeakPolarHBondContact O-CB 3.23Å; Y280-F283 PolarHBondContact O-N 2.89Å; Q281-F283 VanDerWaalsContact C-N 3.3Å; Q281-F283 PolarHBondContact O-N 3.34Å; F283-Y285 PolarHBondContact O-N 2.83Å; F283-L286 PolarHBondContact O-N 3.18Å; F283-N287 WeakPolarHBondContact O-CB 3.4Å; F283-N287 PolarHBondContact O-N 2.7Å
284	H	97.1	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-36.4	-177.4	-65	-71.8	0	0	0	112.6	Y244 I248 M251 Y280 Q281 L282 N287 H288	Y244-H284 AromaticContact CE1-NE2 3.85Å; Y244-H284 AromaticContact CZ-CE1 3.73Å; Y244-H284 AromaticContact CZ-NE2 3.58Å; Y244-H284 PolarHBondContact OH-CE1 2.98Å; I248-H284 HydrophobicContact CD1-CB 3.87Å; M251-H284 HydrophobicContact CE-CB 3.83Å; M251-H284 HydrophobicContact SD-CB 3.71Å; Y280-H284 PolarHBondContact O-CD2 3.38Å; Y280-H284 VanDerWaalsContact O-CD2 3.28Å; Q281-H284 PolarHBondContact O-N 2.88Å; Q281-H284 VanDerWaalsContact O-N 3.15Å; L282-H284 VanDerWaalsContact C-N 3.32Å; L282-H284 PolarHBondContact O-N 2.97Å; H284-N287 PolarHBondContact O-N 3.12Å; H284-H288 WeakPolarHBondContact O-CB 2.96Å; H284-H288 PolarHBondContact O-N 2.86Å; H284-H288 PolarHBondContact O-ND1 3.25Å
285	Y	97.8	Very high	96.1	Very high	50 Å²	50	34.8 Å²	34.8	20%	0.196	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-38.7	174	-79	-60.6	0	0	0	112.9	M251 Q281 L282 F283 H288 W289 Y296 S300 I303	M251-Y285 HydrophobicContact CE-CD1 3.85Å; M251-Y285 HydrophobicContact CE-CD2 3.87Å; M251-Y285 HydrophobicContact CE-CE1 3.67Å; M251-Y285 HydrophobicContact CE-CE2 3.7Å; M251-Y285 HydrophobicContact CE-CG 3.94Å; M251-Y285 HydrophobicContact SD-CE2 4.41Å; Q281-Y285 HydrophobicContact CB-CD2 4.3Å; Q281-Y285 HydrophobicContact CB-CE2 4.28Å; Q281-Y285 VanDerWaalsContact O-CD2 3.26Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.21Å; Q281-Y285 PolarHBondContact O-N 3.34Å; L282-Y285 PolarHBondContact O-N 2.96Å; F283-Y285 PolarHBondContact O-N 2.83Å; Y285-H288 PolarHBondContact O-N 3.48Å; Y285-W289 WeakPolarHBondContact O-CB 3.26Å; Y285-W289 PolarHBondContact O-N 3.45Å; Y285-Y296 HydrophobicContact CD1-CD1 4.01Å; Y285-Y296 HydrophobicContact CE1-CD1 4.39Å; Y285-S300 WeakPolarHBondContact CB-OG 3.18Å; Y285-I303 HydrophobicContact CD2-CD1 3.45Å; Y285-I303 VanDerWaalsContact CD2-CD1 3.45Å; Y285-I303 HydrophobicContact CE2-CD1 3.7Å
286	L	97.8	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-43.2	172.1	-68.5	169.8	0	0	0	111.1	I173 Q176 M177 V180 L282 F283 H288 W289 N290	I173-L286 HydrophobicContact CD1-CD1 4.33Å; I173-L286 HydrophobicContact CG2-CD1 4.06Å; Q176-L286 HydrophobicContact CB-CB 3.84Å; Q176-L286 HydrophobicContact CB-CD1 4.22Å; Q176-L286 HydrophobicContact CG-CB 4.38Å; M177-L286 HydrophobicContact CG-CD1 4.49Å; M177-L286 HydrophobicContact SD-CD1 3.95Å; M177-L286 HydrophobicContact SD-CD2 3.93Å; V180-L286 HydrophobicContact CG2-CD2 4.3Å; L282-L286 HydrophobicContact CD1-CD1 3.98Å; L282-L286 HydrophobicContact CD1-CD2 4.43Å; L282-L286 HydrophobicContact CD1-CG 3.91Å; L282-L286 HydrophobicContact CG-CD1 3.85Å; L282-L286 HydrophobicContact CG-CG 4.25Å; L282-L286 WeakPolarHBondContact O-CB 3.26Å; L282-L286 VanDerWaalsContact O-CG 3.28Å; L282-L286 WeakPolarHBondContact O-CG 3.35Å; L282-L286 PolarHBondContact O-N 3.49Å; F283-L286 PolarHBondContact O-N 3.18Å; L286-H288 VanDerWaalsContact C-N 3.33Å; L286-H288 PolarHBondContact O-N 2.8Å; L286-W289 HydrophobicContact CD2-CE3 4.1Å; L286-W289 HydrophobicContact CD2-CZ3 4.39Å; L286-W289 WeakPolarHBondContact O-CB 3.44Å; L286-W289 PolarHBondContact O-N 3.43Å; L286-W289 VanDerWaalsContact O-N 3.15Å; L286-N290 PolarHBondContact O-N 3.2Å; L286-N290 PolarHBondContact O-ND2 2.91Å
287	N	95.9	Very high	95.9	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.027	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-43.4	174.8	-171.5	74.2	0	0	0	111.8	C151 Q176 F283 H284 N290 H291	C151-N287 PolarHBondContact SG-ND2 2.91Å; C151-N287 VanDerWaalsContact SG-ND2 3.38Å; Q176-N287 PolarHBondContact NE2-OD1 2.85Å; Q176-N287 VanDerWaalsContact NE2-OD1 3.16Å; Q176-N287 VanDerWaalsContact OE1-CA 3.25Å; F283-N287 WeakPolarHBondContact O-CB 3.4Å; F283-N287 PolarHBondContact O-N 2.7Å; H284-N287 PolarHBondContact O-N 3.12Å; N287-N290 PolarHBondContact O-N 3.31Å; N287-H291 PolarHBondContact ND2-CD2 3.4Å; N287-H291 PolarHBondContact O-CD2 2.87Å; N287-H291 PolarHBondContact O-N 2.72Å
288	H	94.4	Very high	95.9	Very high	26 Å²	26	37 Å²	37	12%	0.12	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-35.4	175.4	-79.4	64.8	0	0	0	112.7	F252 H284 Y285 L286 H291 F292 Y296	F252-H288 AromaticContact CE2-CE1 3.62Å; F252-H288 AromaticContact CE2-NE2 3.47Å; F252-H288 WeakPolarHBondContact CE2-NE2 3.4Å; F252-H288 AromaticContact CZ-CD2 3.56Å; F252-H288 AromaticContact CZ-CE1 3.6Å; F252-H288 AromaticContact CZ-NE2 3.24Å; F252-H288 WeakPolarHBondContact CZ-NE2 3.39Å; H284-H288 WeakPolarHBondContact O-CB 2.96Å; H284-H288 PolarHBondContact O-N 2.86Å; H284-H288 PolarHBondContact O-ND1 3.25Å; Y285-H288 PolarHBondContact O-N 3.48Å; L286-H288 VanDerWaalsContact C-N 3.33Å; L286-H288 PolarHBondContact O-N 2.8Å; H288-H291 PolarHBondContact O-N 3.41Å; H288-F292 HydrophobicContact CB-CD2 4.08Å; H288-F292 AromaticContact CD2-CD2 3.66Å; H288-F292 AromaticContact CD2-CE2 3.54Å; H288-F292 AromaticContact NE2-CE2 3.96Å; H288-F292 WeakPolarHBondContact O-CA 3.42Å; H288-F292 WeakPolarHBondContact O-CB 3.25Å; H288-F292 WeakPolarHBondContact O-CD2 3.3Å; H288-F292 PolarHBondContact O-N 2.87Å; H288-Y296 HydrophobicContact CB-CD1 3.68Å; H288-Y296 HydrophobicContact CB-CD2 3.77Å; H288-Y296 HydrophobicContact CB-CE1 3.86Å; H288-Y296 HydrophobicContact CB-CE2 3.98Å; H288-Y296 HydrophobicContact CB-CG 3.61Å; H288-Y296 AromaticContact CD2-CE1 3.93Å; H288-Y296 AromaticContact CD2-CZ 3.83Å; H288-Y296 WeakPolarHBondContact O-CD2 3.35Å
289	W	96.4	Very high	95.8	Very high	15 Å²	15	36.2 Å²	36.2	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-50.2	172.3	-177.2	-3.4	0	0	0	110.1	V180 D186 A189 Y285 L286 H291 G293 R297	V180-W289 HydrophobicContact CG1-CH2 3.56Å; V180-W289 HydrophobicContact CG1-CZ2 3.9Å; V180-W289 HydrophobicContact CG1-CZ3 3.98Å; V180-W289 HydrophobicContact CG2-CD2 4.13Å; V180-W289 HydrophobicContact CG2-CE3 3.98Å; V180-W289 HydrophobicContact CG2-CH2 4.32Å; V180-W289 HydrophobicContact CG2-CZ2 4.46Å; V180-W289 HydrophobicContact CG2-CZ3 4.08Å; D186-W289 HydrophobicContact CB-CH2 3.79Å; D186-W289 HydrophobicContact CB-CZ2 4.13Å; A189-W289 HydrophobicContact CB-CH2 4.17Å; A189-W289 HydrophobicContact CB-CZ3 4.27Å; Y285-W289 WeakPolarHBondContact O-CB 3.26Å; Y285-W289 PolarHBondContact O-N 3.45Å; L286-W289 HydrophobicContact CD2-CE3 4.1Å; L286-W289 HydrophobicContact CD2-CZ3 4.39Å; L286-W289 WeakPolarHBondContact O-CB 3.44Å; L286-W289 PolarHBondContact O-N 3.43Å; L286-W289 VanDerWaalsContact O-N 3.15Å; W289-H291 VanDerWaalsContact C-N 3.3Å; W289-H291 PolarHBondContact O-N 3.39Å; W289-G293 WeakPolarHBondContact CA-O 3.48Å; W289-G293 CarbonylContact O-C 3.54Å; W289-G293 VanDerWaalsContact O-CA 3.25Å; W289-G293 WeakPolarHBondContact O-CA 3.43Å; W289-G293 PolarHBondContact O-N 3.05Å; W289-R297 HydrophobicContact CD2-CB 4.08Å; W289-R297 HydrophobicContact CE3-CB 4.17Å; W289-R297 HydrophobicContact CE3-CG 4.41Å; W289-R297 HydrophobicContact CH2-CB 4.18Å; W289-R297 HydrophobicContact CH2-CG 3.65Å; W289-R297 HydrophobicContact CZ2-CB 4.07Å; W289-R297 HydrophobicContact CZ2-CG 3.85Å; W289-R297 HydrophobicContact CZ3-CB 4.22Å; W289-R297 HydrophobicContact CZ3-CG 3.94Å
290	N	95.9	Very high	95.8	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-28.6	-179.5	-68.7	-36.4	0	0	0	113.2	L154 Q176 M179 V180 L286 N287	L154-N290 HydrophobicContact CD1-CB 3.86Å; Q176-N290 PolarHBondContact O-ND2 3.38Å; Q176-N290 PolarHBondContact OE1-ND2 3.48Å; M179-N290 HydrophobicContact CE-CB 4.4Å; V180-N290 WeakPolarHBondContact CG2-OD1 3.49Å; L286-N290 PolarHBondContact O-N 3.2Å; L286-N290 PolarHBondContact O-ND2 2.91Å; N287-N290 PolarHBondContact O-N 3.31Å
291	H	90.4	Very high	95.8	Very high	49 Å²	49	36.2 Å²	36.2	23%	0.227	22%	0.215	C	C	.	.	H	α-helix	trans	-83.3	-40.9	175.7	-84.4	-65.6	0	0	0	114.6	C151 Y153 L154 N287 H288 W289	C151-H291 PolarHBondContact O-NE2 2.87Å; Y153-H291 PolarHBondContact N-CE1 3.05Å; L154-H291 WeakPolarHBondContact CD1-NE2 3.48Å; L154-H291 VanDerWaalsContact CG-CE1 3.42Å; L154-H291 WeakPolarHBondContact CG-CE1 3.18Å; L154-H291 WeakPolarHBondContact CG-NE2 3.46Å; L154-H291 PolarHBondContact N-CE1 3.48Å; N287-H291 PolarHBondContact ND2-CD2 3.4Å; N287-H291 PolarHBondContact O-CD2 2.87Å; N287-H291 PolarHBondContact O-N 2.72Å; H288-H291 PolarHBondContact O-N 3.41Å; W289-H291 VanDerWaalsContact C-N 3.3Å; W289-H291 PolarHBondContact O-N 3.39Å
292	F	90.4	Very high	95.8	Very high	127 Å²	127	38.3 Å²	38.3	56%	0.557	23%	0.228	S	C	*	.	H	α-helix	trans	-123.1	-0.3	-163	-53.1	-59.3	0	0	0	113.5	H288 Y296	H288-F292 HydrophobicContact CB-CD2 4.08Å; H288-F292 AromaticContact CD2-CD2 3.66Å; H288-F292 AromaticContact CD2-CE2 3.54Å; H288-F292 AromaticContact NE2-CE2 3.96Å; H288-F292 WeakPolarHBondContact O-CA 3.42Å; H288-F292 WeakPolarHBondContact O-CB 3.25Å; H288-F292 WeakPolarHBondContact O-CD2 3.3Å; H288-F292 PolarHBondContact O-N 2.87Å; F292-Y296 HydrophobicContact CB-CD2 4.24Å; F292-Y296 HydrophobicContact CB-CE2 3.7Å; F292-Y296 HydrophobicContact CD2-CE2 4.07Å; F292-Y296 HydrophobicContact CG-CE2 4.33Å
293	G	91.1	Very high	95.8	Very high	32 Å²	32	38.9 Å²	38.9	33%	0.33	23%	0.23	S	C	.	.			trans	93	-172.1	173.7	0	0	0	0	0	114.9	W289 G295 Y296	W289-G293 WeakPolarHBondContact CA-O 3.48Å; W289-G293 CarbonylContact O-C 3.54Å; W289-G293 VanDerWaalsContact O-CA 3.25Å; W289-G293 WeakPolarHBondContact O-CA 3.43Å; W289-G293 PolarHBondContact O-N 3.05Å; G293-G295 PolarHBondContact O-N 2.84Å; G293-Y296 PolarHBondContact O-N 2.92Å
294	S	90.9	Very high	95.8	Very high	88 Å²	88	38.8 Å²	38.8	62%	0.615	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-66.6	-4.4	-164.6	58.6	0	0	0	0	116	Y296 R297	S294-Y296 PolarHBondContact O-N 2.79Å; S294-Y296 VanDerWaalsContact O-N 3.13Å; S294-R297 WeakPolarHBondContact O-CB 3.3Å; S294-R297 PolarHBondContact O-N 3.47Å
295	G	94.3	Very high	95.9	Very high	72 Å²	72	43.4 Å²	43.4	74%	0.742	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-57	-25.6	173.1	0	0	0	0	0	113.5	G293	G293-G295 PolarHBondContact O-N 2.84Å
296	Y	95.9	Very high	95.8	Very high	67 Å²	67	43.6 Å²	43.6	26%	0.263	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-94	-9.1	179	-62.8	-83.7	0	0	0	114.1	F252 Y285 H288 F292 G293 S294 G298 S299 S300	F252-Y296 HydrophobicContact CE1-CE1 4.25Å; Y285-Y296 HydrophobicContact CD1-CD1 4.01Å; Y285-Y296 HydrophobicContact CE1-CD1 4.39Å; H288-Y296 HydrophobicContact CB-CD1 3.68Å; H288-Y296 HydrophobicContact CB-CD2 3.77Å; H288-Y296 HydrophobicContact CB-CE1 3.86Å; H288-Y296 HydrophobicContact CB-CE2 3.98Å; H288-Y296 HydrophobicContact CB-CG 3.61Å; H288-Y296 AromaticContact CD2-CE1 3.93Å; H288-Y296 AromaticContact CD2-CZ 3.83Å; H288-Y296 WeakPolarHBondContact O-CD2 3.35Å; F292-Y296 HydrophobicContact CB-CD2 4.24Å; F292-Y296 HydrophobicContact CB-CE2 3.7Å; F292-Y296 HydrophobicContact CD2-CE2 4.07Å; F292-Y296 HydrophobicContact CG-CE2 4.33Å; G293-Y296 PolarHBondContact O-N 2.92Å; S294-Y296 PolarHBondContact O-N 2.79Å; S294-Y296 VanDerWaalsContact O-N 3.13Å; Y296-G298 VanDerWaalsContact C-N 3.33Å; Y296-G298 PolarHBondContact O-N 3.3Å; Y296-S299 PolarHBondContact O-N 3.43Å; Y296-S300 PolarHBondContact O-N 3.35Å; Y296-S300 PolarHBondContact O-OG 2.9Å
297	R	97.1	Very high	95.8	Very high	77 Å²	77	44.1 Å²	44.1	29%	0.291	26%	0.255	S	S	.	.	H	α-helix	trans	-53.2	-48	-179.6	177.2	-173.7	-177.1	-75.6	-12.9	112.4	D186 E188 W289 S294 S299 S300 L301	D186-R297 IonicContact OD1-CZ 2.72Å; D186-R297 IonicContact OD1-NE 3.26Å; D186-R297 IonicContact OD1-NH2 3.95Å; D186-R297 PolarHBondContact OD1-NH2 3.46Å; D186-R297 VanDerWaalsContact OD1-NH2 3.11Å; D186-R297 IonicContact OD2-CZ 3.11Å; D186-R297 IonicContact OD2-NE 3.93Å; D186-R297 PolarHBondContact OD2-NE 2.82Å; D186-R297 IonicContact OD2-NH2 2.64Å; D186-R297 PolarHBondContact OD2-NH2 2.95Å; E188-R297 IonicContact OE2-NH2 2.69Å; W289-R297 HydrophobicContact CD2-CB 4.08Å; W289-R297 HydrophobicContact CE3-CB 4.17Å; W289-R297 HydrophobicContact CE3-CG 4.41Å; W289-R297 HydrophobicContact CH2-CB 4.18Å; W289-R297 HydrophobicContact CH2-CG 3.65Å; W289-R297 HydrophobicContact CZ2-CB 4.07Å; W289-R297 HydrophobicContact CZ2-CG 3.85Å; W289-R297 HydrophobicContact CZ3-CB 4.22Å; W289-R297 HydrophobicContact CZ3-CG 3.94Å; S294-R297 WeakPolarHBondContact O-CB 3.3Å; S294-R297 PolarHBondContact O-N 3.47Å; R297-S299 VanDerWaalsContact C-N 3.33Å; R297-S299 PolarHBondContact O-N 3.32Å; R297-S300 PolarHBondContact O-N 2.89Å; R297-L301 HydrophobicContact CG-CD1 3.76Å; R297-L301 HydrophobicContact CG-CG 4.3Å; R297-L301 VanDerWaalsContact NH2-CD1 3.31Å; R297-L301 WeakPolarHBondContact O-CG 3.36Å; R297-L301 PolarHBondContact O-N 3.43Å
298	G	97.7	Very high	95.8	Very high	46 Å²	46	45.8 Å²	45.8	47%	0.474	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-43.1	-176.2	0	0	0	0	0	112.7	Y296 N302	Y296-G298 VanDerWaalsContact C-N 3.33Å; Y296-G298 PolarHBondContact O-N 3.3Å; G298-N302 WeakPolarHBondContact O-CB 3.35Å; G298-N302 PolarHBondContact O-N 3.32Å
299	S	97.1	Very high	95.5	Very high	47 Å²	47	53.6 Å²	53.6	33%	0.329	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-46	176.7	-59.7	0	0	0	0	111.7	Y296 R297 L301 N302 I303	Y296-S299 PolarHBondContact O-N 3.43Å; R297-S299 VanDerWaalsContact C-N 3.33Å; R297-S299 PolarHBondContact O-N 3.32Å; S299-L301 PolarHBondContact O-N 3.21Å; S299-N302 PolarHBondContact O-N 3.21Å; S299-I303 WeakPolarHBondContact O-CG1 3.37Å; S299-I303 PolarHBondContact O-N 3.04Å; S299-I303 VanDerWaalsContact O-N 3.1Å
300	S	98.1	Very high	95.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.5	-51.8	177.2	-56.5	0	0	0	0	111.4	Y285 Y296 R297 N302 I303 M304	Y285-S300 WeakPolarHBondContact CB-OG 3.18Å; Y296-S300 PolarHBondContact O-N 3.35Å; Y296-S300 PolarHBondContact O-OG 2.9Å; R297-S300 PolarHBondContact O-N 2.89Å; S300-N302 VanDerWaalsContact C-N 3.35Å; S300-N302 PolarHBondContact O-N 3.01Å; S300-I303 PolarHBondContact O-N 3.02Å; S300-M304 VanDerWaalsContact O-CG 3.28Å; S300-M304 WeakPolarHBondContact O-CG 3.24Å; S300-M304 PolarHBondContact O-N 3.07Å
301	L	98.3	Very high	95.5	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-37.2	-178.3	-64.3	175.7	0	0	0	112.5	E188 A189 L192 R297 S299 I303 M304 R305	E188-L301 HydrophobicContact CG-CD2 4.31Å; A189-L301 HydrophobicContact CB-CD2 3.81Å; L192-L301 HydrophobicContact CD1-CD2 3.9Å; R297-L301 HydrophobicContact CG-CD1 3.76Å; R297-L301 HydrophobicContact CG-CG 4.3Å; R297-L301 VanDerWaalsContact NH2-CD1 3.31Å; R297-L301 WeakPolarHBondContact O-CG 3.36Å; R297-L301 PolarHBondContact O-N 3.43Å; S299-L301 PolarHBondContact O-N 3.21Å; L301-I303 VanDerWaalsContact C-N 3.34Å; L301-I303 PolarHBondContact O-N 2.91Å; L301-M304 HydrophobicContact CD2-SD 4.29Å; L301-M304 PolarHBondContact O-N 3.28Å; L301-R305 WeakPolarHBondContact O-CB 3.39Å; L301-R305 VanDerWaalsContact O-CG 3.3Å; L301-R305 WeakPolarHBondContact O-CG 3.26Å; L301-R305 PolarHBondContact O-N 3.09Å
302	N	98.3	Very high	95.7	Very high	84 Å²	84	58 Å²	58	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-61.4	-44.1	176.5	-173.5	48.7	0	0	0	111.6	G298 S299 S300 N306	G298-N302 WeakPolarHBondContact O-CB 3.35Å; G298-N302 PolarHBondContact O-N 3.32Å; S299-N302 PolarHBondContact O-N 3.21Å; S300-N302 VanDerWaalsContact C-N 3.35Å; S300-N302 PolarHBondContact O-N 3.01Å; N302-N306 VanDerWaalsContact O-CG 3.23Å; N302-N306 PolarHBondContact O-N 2.88Å; N302-N306 VanDerWaalsContact O-N 3.09Å; N302-N306 PolarHBondContact O-ND2 2.98Å; N302-N306 VanDerWaalsContact O-ND2 3.14Å
303	I	98.3	Very high	96.1	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-48.6	175.2	-70	170.2	0	0	0	110.5	Q278 Q281 L282 Y285 S299 S300 L301 R305 N306 L307	Q278-I303 HydrophobicContact CB-CG2 4.21Å; Q278-I303 WeakPolarHBondContact O-CG2 3.41Å; Q281-I303 HydrophobicContact CB-CD1 4.03Å; L282-I303 HydrophobicContact CB-CG2 3.87Å; L282-I303 HydrophobicContact CD1-CG2 4.43Å; Y285-I303 HydrophobicContact CD2-CD1 3.45Å; Y285-I303 VanDerWaalsContact CD2-CD1 3.45Å; Y285-I303 HydrophobicContact CE2-CD1 3.7Å; S299-I303 WeakPolarHBondContact O-CG1 3.37Å; S299-I303 PolarHBondContact O-N 3.04Å; S299-I303 VanDerWaalsContact O-N 3.1Å; S300-I303 PolarHBondContact O-N 3.02Å; L301-I303 VanDerWaalsContact C-N 3.34Å; L301-I303 PolarHBondContact O-N 2.91Å; I303-R305 PolarHBondContact O-N 3.44Å; I303-N306 PolarHBondContact O-N 3.12Å; I303-N306 VanDerWaalsContact O-N 3.08Å; I303-L307 HydrophobicContact CG2-CD1 3.64Å; I303-L307 HydrophobicContact CG2-CG 4.22Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 3.37Å
304	M	98.5	Very high	96.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-45.3	-179.8	-65	171.5	86.1	0	0	111.9	M177 A189 L192 W193 L196 L282 S300 L301 N306 L307 V308	M177-M304 HydrophobicContact CE-CE 4.43Å; M177-M304 HydrophobicContact SD-CE 4.25Å; A189-M304 WeakPolarHBondContact O-CE 3.4Å; L192-M304 HydrophobicContact CB-CB 3.94Å; L192-M304 HydrophobicContact CB-CE 3.78Å; L192-M304 HydrophobicContact CB-SD 4.36Å; L192-M304 HydrophobicContact CD1-CB 3.97Å; L192-M304 HydrophobicContact CG-CB 4.47Å; W193-M304 HydrophobicContact CB-CE 3.72Å; W193-M304 VanDerWaalsContact N-CE 3.29Å; L196-M304 HydrophobicContact CD2-CG 4.26Å; L282-M304 HydrophobicContact CD1-CG 3.61Å; L282-M304 HydrophobicContact CD1-SD 4.12Å; L282-M304 HydrophobicContact CD2-CG 3.65Å; L282-M304 HydrophobicContact CG-CG 4.3Å; S300-M304 VanDerWaalsContact O-CG 3.28Å; S300-M304 WeakPolarHBondContact O-CG 3.24Å; S300-M304 PolarHBondContact O-N 3.07Å; L301-M304 HydrophobicContact CD2-SD 4.29Å; L301-M304 PolarHBondContact O-N 3.28Å; M304-N306 VanDerWaalsContact C-N 3.27Å; M304-N306 PolarHBondContact O-N 3.29Å; M304-L307 PolarHBondContact O-N 3.08Å; M304-V308 WeakPolarHBondContact O-CB 3.3Å; M304-V308 VanDerWaalsContact O-CG2 3.25Å; M304-V308 WeakPolarHBondContact O-CG2 3.27Å; M304-V308 PolarHBondContact O-N 3.14Å
305	R	98.3	Very high	96.7	Very high	97 Å²	97	53.1 Å²	53.1	37%	0.366	29%	0.293	S	S	.	.	H	α-helix	trans	-60.2	-36	175.5	-71	-175.3	-155.6	124.3	-4.8	112.4	E188 L192 L301 I303 K309	E188-R305 IonicContact OE1-CZ 2.71Å; E188-R305 IonicContact OE1-NE 3.38Å; E188-R305 PolarHBondContact OE1-NE 3.43Å; E188-R305 IonicContact OE1-NH2 3.16Å; E188-R305 PolarHBondContact OE1-NH2 2.75Å; E188-R305 IonicContact OE2-NH2 2.64Å; E188-R305 PolarHBondContact OE2-NH2 2.96Å; L192-R305 HydrophobicContact CD1-CG 3.67Å; L192-R305 HydrophobicContact CD2-CG 3.93Å; L192-R305 HydrophobicContact CG-CG 4.49Å; L301-R305 WeakPolarHBondContact O-CB 3.39Å; L301-R305 VanDerWaalsContact O-CG 3.3Å; L301-R305 WeakPolarHBondContact O-CG 3.26Å; L301-R305 PolarHBondContact O-N 3.09Å; I303-R305 PolarHBondContact O-N 3.44Å; R305-K309 WeakPolarHBondContact O-CG 3.4Å
306	N	97.6	Very high	96.9	Very high	55 Å²	55	51.8 Å²	51.8	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-74.2	-34.4	179.3	-71.2	-25.6	0	0	0	112.6	N302 I303 M304	N302-N306 VanDerWaalsContact O-CG 3.23Å; N302-N306 PolarHBondContact O-N 2.88Å; N302-N306 VanDerWaalsContact O-N 3.09Å; N302-N306 PolarHBondContact O-ND2 2.98Å; N302-N306 VanDerWaalsContact O-ND2 3.14Å; I303-N306 PolarHBondContact O-N 3.12Å; I303-N306 VanDerWaalsContact O-N 3.08Å; M304-N306 VanDerWaalsContact C-N 3.27Å; M304-N306 PolarHBondContact O-N 3.29Å
307	L	97.1	Very high	97	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-79.9	-23	179.4	-67.1	173.9	0	0	0	113.7	L196 L203 K275 Q278 L279 I303 M304	L196-L307 HydrophobicContact CD1-CB 3.53Å; L196-L307 HydrophobicContact CD1-CD1 4.3Å; L196-L307 HydrophobicContact CD2-CD1 4.41Å; L203-L307 HydrophobicContact CD1-CD2 4.49Å; K275-L307 HydrophobicContact CB-CD2 4.38Å; K275-L307 WeakPolarHBondContact O-CD2 3.34Å; Q278-L307 HydrophobicContact CB-CD1 4.49Å; Q278-L307 HydrophobicContact CB-CD2 4.16Å; L279-L307 HydrophobicContact CB-CD1 3.92Å; L279-L307 HydrophobicContact CD1-CD1 4.1Å; I303-L307 HydrophobicContact CG2-CD1 3.64Å; I303-L307 HydrophobicContact CG2-CG 4.22Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 3.37Å; M304-L307 PolarHBondContact O-N 3.08Å
308	V	95.8	Very high	97	Very high	40 Å²	40	48.4 Å²	48.4	24%	0.242	26%	0.258	C	S	.	.	H	α-helix	trans	-76.9	-25.2	176.6	168.5	0	0	0	0	112.6	L192 A195 L196 M304	L192-V308 HydrophobicContact CD2-CG2 4.39Å; A195-V308 HydrophobicContact CB-CG1 3.83Å; A195-V308 HydrophobicContact CB-CG2 3.92Å; L196-V308 HydrophobicContact CB-CG2 3.93Å; L196-V308 HydrophobicContact CD1-CG2 4.49Å; M304-V308 WeakPolarHBondContact O-CB 3.3Å; M304-V308 VanDerWaalsContact O-CG2 3.25Å; M304-V308 WeakPolarHBondContact O-CG2 3.27Å; M304-V308 PolarHBondContact O-N 3.14Å
309	K	88.6	Confident	96.9	Very high	190 Å²	190	48.6 Å²	48.6	83%	0.826	24%	0.238	S	C	*	.			trans	-68.8	0	176.4	-70.9	168.9	-173.2	172	0	111.5	R305	R305-K309 WeakPolarHBondContact O-CG 3.4Å

Retrieved 309 of 309 residues in 150.1 ms (Link to these results)

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