A0A096MI15_POEFO Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A096MI15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 330 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	C	89.3	Confident	95.3	Very high	91 Å²	91	94.7 Å²	94.7	62%	0.615	51%	0.509	S	S	*	.				0	137.5	0	169.9	0	0	0	0	108.4	Y26 C29 F32	C1-Y26 WeakPolarHBondContact SG-CD1 3.36Å; C1-C29 VanDerWaalsContact CA-SG 3.58Å; C1-C29 HydrophobicContact CB-CB 3.66Å; C1-C29 WeakPolarHBondContact CB-SG 3.34Å; C1-C29 WeakPolarHBondContact SG-CB 3.5Å; C1-C29 CovalentContact SG-SG 2.01Å; C1-C29 PolarHBondContact SG-SG 3.39Å; C1-F32 HydrophobicContact CB-CE1 4.23Å; C1-F32 HydrophobicContact CB-CZ 4.18Å
2	R	92.9	Very high	95.3	Very high	221 Å²	221	89.2 Å²	89.2	83%	0.834	49%	0.491	S	S	*	.			trans	-129	152	174.6	-69.7	-173.1	-179.5	178.3	0.7	109.1	N4 H28	R2-N4 PolarHBondContact O-N 3.09Å; R2-H28 PolarHBondContact O-CE1 3.1Å; R2-H28 PolarHBondContact O-NE2 3.43Å; R2-H28 VanDerWaalsContact O-NE2 3.14Å
3	Q	95.5	Very high	95.5	Very high	85 Å²	85	83.6 Å²	83.6	40%	0.397	46%	0.459	S	S	.	.			trans	-64.3	128.9	179	-163.2	-176.8	0.9	0	0	110.7	L5 F25 Y26	Q3-L5 HydrophobicContact CG-CD2 4.19Å; Q3-L5 PolarHBondContact O-N 3.27Å; Q3-F25 HydrophobicContact CG-CB 3.78Å; Q3-F25 HydrophobicContact CG-CD1 3.95Å; Q3-F25 HydrophobicContact CG-CD2 4.46Å; Q3-F25 HydrophobicContact CG-CG 3.84Å; Q3-F25 VanDerWaalsContact NE2-CD2 3.31Å; Q3-Y26 VanDerWaalsContact CA-CE1 3.47Å; Q3-Y26 HydrophobicContact CB-CE1 3.81Å; Q3-Y26 HydrophobicContact CG-CE1 4.19Å; Q3-Y26 HydrophobicContact CG-CE2 4.35Å
4	N	96.4	Very high	95.5	Very high	60 Å²	60	83.9 Å²	83.9	32%	0.321	47%	0.47	S	S	.	.			trans	-89.9	91.2	173.8	178.2	17.7	0	0	0	111.1	R2 T6 A7 F25	R2-N4 PolarHBondContact O-N 3.09Å; N4-T6 PolarHBondContact ND2-OG1 2.89Å; N4-T6 PolarHBondContact O-N 3.12Å; N4-T6 VanDerWaalsContact O-N 3.09Å; N4-T6 WeakPolarHBondContact OD1-CB 3.41Å; N4-T6 PolarHBondContact OD1-N 3.1Å; N4-T6 PolarHBondContact OD1-OG1 3.36Å; N4-A7 WeakPolarHBondContact O-CB 3.48Å; N4-A7 PolarHBondContact O-N 3.19Å; N4-F25 WeakPolarHBondContact CB-O 2.97Å; N4-F25 PolarHBondContact N-O 2.88Å; N4-F25 WeakPolarHBondContact O-CD1 3.45Å
5	L	96.1	Very high	95.5	Very high	116 Å²	116	87.7 Å²	87.7	61%	0.607	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21.5	-177.9	-62.5	178.4	0	0	0	114.1	Q3 A7 A8	Q3-L5 HydrophobicContact CG-CD2 4.19Å; Q3-L5 PolarHBondContact O-N 3.27Å; L5-A7 PolarHBondContact O-N 3.39Å; L5-A8 WeakPolarHBondContact O-CB 3.5Å; L5-A8 PolarHBondContact O-N 2.95Å
6	T	96.3	Very high	95.6	Very high	91 Å²	91	83.1 Å²	83.1	56%	0.558	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.5	175.8	67.1	0	0	0	0	113.1	N4 A8 N9	N4-T6 PolarHBondContact ND2-OG1 2.89Å; N4-T6 PolarHBondContact O-N 3.12Å; N4-T6 VanDerWaalsContact O-N 3.09Å; N4-T6 WeakPolarHBondContact OD1-CB 3.41Å; N4-T6 PolarHBondContact OD1-N 3.1Å; N4-T6 PolarHBondContact OD1-OG1 3.36Å; T6-A8 PolarHBondContact O-N 3.22Å; T6-N9 WeakPolarHBondContact O-CB 3.48Å; T6-N9 PolarHBondContact O-N 3.04Å
7	A	95.5	Very high	95.7	Very high	7 Å²	7	80.6 Å²	80.6	6%	0.058	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-61.1	-25.3	173.7	0	0	0	0	0	112.7	N4 L5 N9 I10 F13 L24 F25	N4-A7 WeakPolarHBondContact O-CB 3.48Å; N4-A7 PolarHBondContact O-N 3.19Å; L5-A7 PolarHBondContact O-N 3.39Å; A7-N9 PolarHBondContact O-N 3.1Å; A7-I10 HydrophobicContact CB-CD1 4.33Å; A7-I10 WeakPolarHBondContact O-CB 3.33Å; A7-I10 WeakPolarHBondContact O-CD1 2.98Å; A7-I10 WeakPolarHBondContact O-CG1 3.46Å; A7-I10 PolarHBondContact O-N 3.43Å; A7-F13 HydrophobicContact CB-CE2 4.5Å; A7-F13 WeakPolarHBondContact O-CD2 3.39Å; A7-L24 HydrophobicContact CB-CB 4.33Å; A7-F25 HydrophobicContact CB-CD1 3.9Å; A7-F25 HydrophobicContact CB-CE1 4.32Å
8	A	96	Very high	95.7	Very high	47 Å²	47	83.4 Å²	83.4	39%	0.388	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-66.8	-18.5	175.8	0	0	0	0	0	113.2	L5 T6 I10 F13 F25	L5-A8 WeakPolarHBondContact O-CB 3.5Å; L5-A8 PolarHBondContact O-N 2.95Å; T6-A8 PolarHBondContact O-N 3.22Å; A8-I10 VanDerWaalsContact C-N 3.26Å; A8-I10 PolarHBondContact O-N 3.18Å; A8-F13 HydrophobicContact CB-CD1 4.25Å; A8-F13 HydrophobicContact CB-CE1 4.21Å; A8-F25 HydrophobicContact CB-CE1 4.11Å; A8-F25 HydrophobicContact CB-CZ 4.32Å
9	N	96.8	Very high	95.6	Very high	139 Å²	139	83.1 Å²	83.1	74%	0.743	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-80.7	-4.7	177.5	-63.3	-12.8	0	0	0	113	T6 A7 T11	T6-N9 WeakPolarHBondContact O-CB 3.48Å; T6-N9 PolarHBondContact O-N 3.04Å; A7-N9 PolarHBondContact O-N 3.1Å; N9-T11 PolarHBondContact O-N 3.11Å
10	I	96.5	Very high	95.7	Very high	58 Å²	58	79 Å²	79	30%	0.297	44%	0.435	S	S	.	.	S	Bend	trans	-63.2	132.6	176.8	-65.2	168.4	0	0	0	109.2	A7 A8 G12 F13 L24 Q204	A7-I10 HydrophobicContact CB-CD1 4.33Å; A7-I10 WeakPolarHBondContact O-CB 3.33Å; A7-I10 WeakPolarHBondContact O-CD1 2.98Å; A7-I10 WeakPolarHBondContact O-CG1 3.46Å; A7-I10 PolarHBondContact O-N 3.43Å; A8-I10 VanDerWaalsContact C-N 3.26Å; A8-I10 PolarHBondContact O-N 3.18Å; I10-G12 PolarHBondContact O-N 2.83Å; I10-F13 HydrophobicContact CB-CB 4.36Å; I10-F13 WeakPolarHBondContact O-CB 3.46Å; I10-F13 PolarHBondContact O-N 3.29Å; I10-L24 HydrophobicContact CD1-CD1 4.13Å; I10-L24 HydrophobicContact CD1-CD2 4.17Å; I10-Q204 HydrophobicContact CG2-CB 3.79Å; I10-Q204 HydrophobicContact CG2-CG 3.42Å; I10-Q204 VanDerWaalsContact CG2-CG 3.42Å
11	T	96.8	Very high	95.8	Very high	127 Å²	127	76.6 Å²	76.6	78%	0.779	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	125.4	179.7	-50.5	0	0	0	0	111.4	N9 F13 Q204	N9-T11 PolarHBondContact O-N 3.11Å; T11-F13 VanDerWaalsContact C-N 3.33Å; T11-Q204 WeakPolarHBondContact O-CG 3.28Å; T11-Q204 PolarHBondContact O-NE2 2.74Å
12	G	95.6	Very high	96.2	Very high	28 Å²	28	76 Å²	76	29%	0.289	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	9.5	-178.7	0	0	0	0	0	115.2	I10 S14 N15	I10-G12 PolarHBondContact O-N 2.83Å; G12-S14 VanDerWaalsContact C-N 3.31Å; G12-S14 PolarHBondContact O-N 3.39Å; G12-N15 PolarHBondContact O-N 3.47Å; G12-N15 VanDerWaalsContact O-N 3.15Å
13	F	97.3	Very high	96.4	Very high	17 Å²	17	65.8 Å²	65.8	8%	0.075	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-54.6	-41.8	-179.1	-177.8	-91	0	0	0	113.7	A7 A8 I10 T11 N15 L16 K21 L24 F25	A7-F13 HydrophobicContact CB-CE2 4.5Å; A7-F13 WeakPolarHBondContact O-CD2 3.39Å; A8-F13 HydrophobicContact CB-CD1 4.25Å; A8-F13 HydrophobicContact CB-CE1 4.21Å; I10-F13 HydrophobicContact CB-CB 4.36Å; I10-F13 WeakPolarHBondContact O-CB 3.46Å; I10-F13 PolarHBondContact O-N 3.29Å; T11-F13 VanDerWaalsContact C-N 3.33Å; F13-N15 PolarHBondContact O-N 3.14Å; F13-N15 VanDerWaalsContact O-N 3.16Å; F13-L16 HydrophobicContact CD2-CD1 4.13Å; F13-L16 WeakPolarHBondContact O-CB 3.4Å; F13-L16 PolarHBondContact O-N 3.18Å; F13-K21 HydrophobicContact CD1-CD 4.44Å; F13-K21 HydrophobicContact CD1-CG 4.3Å; F13-K21 HydrophobicContact CE1-CB 4.07Å; F13-K21 HydrophobicContact CE1-CD 3.86Å; F13-K21 HydrophobicContact CE1-CG 3.72Å; F13-K21 HydrophobicContact CE2-CB 4.07Å; F13-K21 HydrophobicContact CE2-CG 4.03Å; F13-K21 HydrophobicContact CZ-CB 3.51Å; F13-K21 HydrophobicContact CZ-CD 4.18Å; F13-K21 HydrophobicContact CZ-CG 3.57Å; F13-K21 WeakPolarHBondContact O-CE 3.36Å; F13-L24 HydrophobicContact CD2-CD1 3.98Å; F13-L24 HydrophobicContact CE2-CB 4.09Å; F13-L24 HydrophobicContact CE2-CD1 4Å; F13-F25 HydrophobicContact CE1-CE1 4.39Å; F13-F25 HydrophobicContact CE1-CE2 4.03Å; F13-F25 AromaticContact CE1-CZ 3.68Å; F13-F25 HydrophobicContact CE1-CZ 3.68Å; F13-F25 HydrophobicContact CE2-CZ 4.46Å; F13-F25 HydrophobicContact CZ-CD1 4.43Å; F13-F25 HydrophobicContact CZ-CD2 4.11Å; F13-F25 AromaticContact CZ-CE1 3.87Å; F13-F25 HydrophobicContact CZ-CE1 3.87Å; F13-F25 AromaticContact CZ-CE2 3.52Å; F13-F25 HydrophobicContact CZ-CE2 3.52Å; F13-F25 AromaticContact CZ-CZ 3.37Å; F13-F25 HydrophobicContact CZ-CZ 3.37Å
14	S	96.3	Very high	96.5	Very high	88 Å²	88	62.2 Å²	62.2	62%	0.615	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-57.9	-30.2	-179.4	52.5	0	0	0	0	113.4	G12 L16 K21	G12-S14 VanDerWaalsContact C-N 3.31Å; G12-S14 PolarHBondContact O-N 3.39Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-K21 WeakPolarHBondContact O-CE 2.97Å; S14-K21 PolarHBondContact O-NZ 3.01Å
15	N	96.1	Very high	96.5	Very high	141 Å²	141	60.8 Å²	60.8	75%	0.754	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-86.3	-4.9	-178.2	-60.2	-25.4	0	0	0	113.2	G12 F13	G12-N15 PolarHBondContact O-N 3.47Å; G12-N15 VanDerWaalsContact O-N 3.15Å; F13-N15 PolarHBondContact O-N 3.14Å; F13-N15 VanDerWaalsContact O-N 3.16Å
16	L	97.1	Very high	96.6	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.073	33%	0.334	C	S	.	.	S	Bend	trans	-76.1	147.9	-179.7	-61.4	175.7	0	0	0	111	F13 S14 I20 K21 L24 P202 Q204	F13-L16 HydrophobicContact CD2-CD1 4.13Å; F13-L16 WeakPolarHBondContact O-CB 3.4Å; F13-L16 PolarHBondContact O-N 3.18Å; S14-L16 VanDerWaalsContact C-N 3.34Å; L16-I20 HydrophobicContact CB-CB 4.29Å; L16-I20 HydrophobicContact CB-CG2 4.05Å; L16-I20 HydrophobicContact CD1-CG2 3.79Å; L16-I20 HydrophobicContact CD2-CG2 4.34Å; L16-I20 HydrophobicContact CG-CG2 4.28Å; L16-K21 HydrophobicContact CB-CG 4.02Å; L16-K21 WeakPolarHBondContact O-CE 3.44Å; L16-K21 PolarHBondContact O-NZ 3.15Å; L16-L24 HydrophobicContact CD1-CD1 3.57Å; L16-P202 HydrophobicContact CD2-CB 3.93Å; L16-P202 HydrophobicContact CD2-CG 3.9Å; L16-Q204 HydrophobicContact CD1-CB 4.2Å; L16-Q204 HydrophobicContact CD1-CG 4.19Å
17	P	96.6	Very high	96.6	Very high	40 Å²	40	57.6 Å²	57.6	26%	0.26	32%	0.317	S	S	.	.			trans	-55.9	147.7	167.3	-27	37.3	0	0	0	112.3	N19 I20 K21 F200	P17-N19 VanDerWaalsContact C-N 3.29Å; P17-N19 WeakPolarHBondContact CB-OD1 3.38Å; P17-N19 PolarHBondContact O-N 3.13Å; P17-I20 HydrophobicContact CB-CG1 4.43Å; P17-I20 WeakPolarHBondContact O-CA 3.37Å; P17-I20 WeakPolarHBondContact O-CB 3.45Å; P17-I20 PolarHBondContact O-N 2.93Å; P17-K21 PolarHBondContact O-N 3.03Å; P17-F200 HydrophobicContact CG-CD1 4.29Å; P17-F200 HydrophobicContact CG-CE1 3.89Å
18	E	95.6	Very high	96.6	Very high	131 Å²	131	61.8 Å²	61.8	61%	0.612	34%	0.336	S	S	*	.	H	α-helix	trans	-58.4	-38	-175.9	-69.6	-53.1	128.9	0	0	113.4	I20 K21 D22	E18-I20 VanDerWaalsContact C-N 3.26Å; E18-I20 PolarHBondContact O-N 3.34Å; E18-K21 PolarHBondContact O-N 2.04Å; E18-K21 VanDerWaalsContact O-N 3.17Å; E18-K21 WeakPolarHBondContact OE1-CD 3.48Å; E18-K21 IonicContact OE1-NZ 2.86Å; E18-K21 PolarHBondContact OE1-NZ 3.22Å; E18-D22 WeakPolarHBondContact O-CB 3.27Å; E18-D22 PolarHBondContact O-N 3Å
19	N	94.8	Very high	96.6	Very high	78 Å²	78	60 Å²	60	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-30.2	175	61.1	-44.2	0	0	0	113.2	P17 F23 Y127	P17-N19 VanDerWaalsContact C-N 3.29Å; P17-N19 WeakPolarHBondContact CB-OD1 3.38Å; P17-N19 PolarHBondContact O-N 3.13Å; N19-F23 VanDerWaalsContact O-CB 3.31Å; N19-F23 WeakPolarHBondContact O-CB 3.33Å; N19-F23 PolarHBondContact O-N 3.12Å; N19-F23 VanDerWaalsContact O-N 3.13Å; N19-Y127 HydrophobicContact CB-CD2 4.4Å; N19-Y127 HydrophobicContact CB-CE2 4.3Å; N19-Y127 WeakPolarHBondContact ND2-CE2 3.2Å; N19-Y127 PolarHBondContact ND2-OH 3.11Å
20	I	97.4	Very high	96.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-76.7	-40.7	173.1	-65.7	-70.5	0	0	0	110.7	L16 P17 E18 F23 L24 Y127 F200 P202 V205	L16-I20 HydrophobicContact CB-CB 4.29Å; L16-I20 HydrophobicContact CB-CG2 4.05Å; L16-I20 HydrophobicContact CD1-CG2 3.79Å; L16-I20 HydrophobicContact CD2-CG2 4.34Å; L16-I20 HydrophobicContact CG-CG2 4.28Å; P17-I20 HydrophobicContact CB-CG1 4.43Å; P17-I20 WeakPolarHBondContact O-CA 3.37Å; P17-I20 WeakPolarHBondContact O-CB 3.45Å; P17-I20 PolarHBondContact O-N 2.93Å; E18-I20 VanDerWaalsContact C-N 3.26Å; E18-I20 PolarHBondContact O-N 3.34Å; I20-F23 WeakPolarHBondContact O-CB 3.45Å; I20-F23 PolarHBondContact O-N 3.1Å; I20-L24 HydrophobicContact CG2-CD1 4Å; I20-L24 HydrophobicContact CG2-CG 4.35Å; I20-L24 WeakPolarHBondContact O-CB 3.38Å; I20-L24 WeakPolarHBondContact O-CG 3.4Å; I20-L24 PolarHBondContact O-N 3.38Å; I20-Y127 HydrophobicContact CD1-CD2 4.17Å; I20-Y127 HydrophobicContact CD1-CE2 3.31Å; I20-Y127 HydrophobicContact CG1-CE2 3.98Å; I20-F200 HydrophobicContact CD1-CD1 4.26Å; I20-F200 HydrophobicContact CG1-CD1 4.06Å; I20-F200 HydrophobicContact CG1-CE1 4.04Å; I20-P202 HydrophobicContact CD1-CG 4.19Å; I20-P202 HydrophobicContact CG1-CG 4.36Å; I20-P202 HydrophobicContact CG2-CG 3.76Å; I20-V205 HydrophobicContact CG2-CG2 4.16Å
21	K	97.5	Very high	96.4	Very high	30 Å²	30	58.7 Å²	58.7	13%	0.13	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-48.9	176.3	-68.8	178.8	-179.5	157.2	0	110.7	F13 S14 L16 P17 E18 L24 F25	F13-K21 HydrophobicContact CD1-CD 4.44Å; F13-K21 HydrophobicContact CD1-CG 4.3Å; F13-K21 HydrophobicContact CE1-CB 4.07Å; F13-K21 HydrophobicContact CE1-CD 3.86Å; F13-K21 HydrophobicContact CE1-CG 3.72Å; F13-K21 HydrophobicContact CE2-CB 4.07Å; F13-K21 HydrophobicContact CE2-CG 4.03Å; F13-K21 HydrophobicContact CZ-CB 3.51Å; F13-K21 HydrophobicContact CZ-CD 4.18Å; F13-K21 HydrophobicContact CZ-CG 3.57Å; F13-K21 WeakPolarHBondContact O-CE 3.36Å; S14-K21 WeakPolarHBondContact O-CE 2.97Å; S14-K21 PolarHBondContact O-NZ 3.01Å; L16-K21 HydrophobicContact CB-CG 4.02Å; L16-K21 WeakPolarHBondContact O-CE 3.44Å; L16-K21 PolarHBondContact O-NZ 3.15Å; P17-K21 PolarHBondContact O-N 3.03Å; E18-K21 PolarHBondContact O-N 2.04Å; E18-K21 VanDerWaalsContact O-N 3.17Å; E18-K21 WeakPolarHBondContact OE1-CD 3.48Å; E18-K21 IonicContact OE1-NZ 2.86Å; E18-K21 PolarHBondContact OE1-NZ 3.22Å; K21-L24 PolarHBondContact O-N 2.97Å; K21-F25 HydrophobicContact CB-CE2 4.4Å; K21-F25 WeakPolarHBondContact O-CD2 3.43Å; K21-F25 WeakPolarHBondContact O-CG 3.33Å; K21-F25 PolarHBondContact O-N 2.91Å
22	D	96.5	Very high	96.4	Very high	78 Å²	78	54.9 Å²	54.9	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-56.7	-49.9	174.7	-175.1	66.3	0	0	0	111.3	E18 L24 F25 Y26	E18-D22 WeakPolarHBondContact O-CB 3.27Å; E18-D22 PolarHBondContact O-N 3Å; D22-L24 VanDerWaalsContact C-N 3.34Å; D22-L24 PolarHBondContact O-N 2.92Å; D22-F25 PolarHBondContact O-N 3.08Å; D22-Y26 VanDerWaalsContact O-CD2 3.31Å; D22-Y26 WeakPolarHBondContact O-CD2 3.49Å; D22-Y26 PolarHBondContact O-N 2.95Å; D22-Y26 VanDerWaalsContact O-N 3.09Å; D22-Y26 WeakPolarHBondContact OD1-CD2 3.31Å; D22-Y26 VanDerWaalsContact OD1-CE2 3.25Å; D22-Y26 WeakPolarHBondContact OD1-CE2 3.48Å
23	F	97.3	Very high	96.5	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-54.5	-47.4	175.2	175.5	-95	0	0	0	112.4	N19 I20 Y26 R27 Y127 V205 I239 P241	N19-F23 VanDerWaalsContact O-CB 3.31Å; N19-F23 WeakPolarHBondContact O-CB 3.33Å; N19-F23 PolarHBondContact O-N 3.12Å; N19-F23 VanDerWaalsContact O-N 3.13Å; I20-F23 WeakPolarHBondContact O-CB 3.45Å; I20-F23 PolarHBondContact O-N 3.1Å; F23-Y26 CarbonylContact O-C 3.55Å; F23-Y26 PolarHBondContact O-N 3.49Å; F23-R27 HydrophobicContact CE1-CB 4.45Å; F23-R27 HydrophobicContact CE1-CG 3.96Å; F23-R27 HydrophobicContact CZ-CG 3.98Å; F23-R27 VanDerWaalsContact O-CA 3.3Å; F23-R27 WeakPolarHBondContact O-CA 3.17Å; F23-R27 VanDerWaalsContact O-CB 3.28Å; F23-R27 WeakPolarHBondContact O-CB 3.38Å; F23-R27 PolarHBondContact O-N 2.89Å; F23-Y127 HydrophobicContact CB-CD2 4.42Å; F23-V205 HydrophobicContact CD1-CG2 4.24Å; F23-V205 HydrophobicContact CE1-CG1 3.94Å; F23-V205 HydrophobicContact CE1-CG2 4.32Å; F23-I239 HydrophobicContact CE2-CG2 3.81Å; F23-I239 HydrophobicContact CZ-CB 4.48Å; F23-I239 HydrophobicContact CZ-CG2 3.96Å; F23-I239 WeakPolarHBondContact CZ-O 3.29Å; F23-P241 HydrophobicContact CD2-CB 4Å; F23-P241 HydrophobicContact CE1-CB 4.47Å; F23-P241 HydrophobicContact CE1-CG 4.29Å; F23-P241 HydrophobicContact CE2-CB 3.78Å; F23-P241 HydrophobicContact CE2-CG 4.41Å; F23-P241 HydrophobicContact CG-CB 4.43Å; F23-P241 HydrophobicContact CZ-CB 4.04Å; F23-P241 VanDerWaalsContact CZ-CD 3.43Å; F23-P241 HydrophobicContact CZ-CG 4.18Å
24	L	97.8	Very high	96.5	Very high	11 Å²	11	59.8 Å²	59.8	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-39.3	179.8	-74.8	172.5	0	0	0	112.5	A7 I10 F13 L16 I20 K21 D22 Y26 Q204 V205	A7-L24 HydrophobicContact CB-CB 4.33Å; I10-L24 HydrophobicContact CD1-CD1 4.13Å; I10-L24 HydrophobicContact CD1-CD2 4.17Å; F13-L24 HydrophobicContact CD2-CD1 3.98Å; F13-L24 HydrophobicContact CE2-CB 4.09Å; F13-L24 HydrophobicContact CE2-CD1 4Å; L16-L24 HydrophobicContact CD1-CD1 3.57Å; I20-L24 HydrophobicContact CG2-CD1 4Å; I20-L24 HydrophobicContact CG2-CG 4.35Å; I20-L24 WeakPolarHBondContact O-CB 3.38Å; I20-L24 WeakPolarHBondContact O-CG 3.4Å; I20-L24 PolarHBondContact O-N 3.38Å; K21-L24 PolarHBondContact O-N 2.97Å; D22-L24 VanDerWaalsContact C-N 3.34Å; D22-L24 PolarHBondContact O-N 2.92Å; L24-Y26 VanDerWaalsContact C-N 3.27Å; L24-Y26 PolarHBondContact O-N 3.09Å; L24-Q204 HydrophobicContact CD1-CB 4.42Å; L24-V205 HydrophobicContact CD2-CG2 3.85Å; L24-V205 HydrophobicContact CG-CG2 4.2Å
25	F	97.8	Very high	96.6	Very high	30 Å²	30	59 Å²	59	13%	0.132	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-36.7	176.1	-78.9	-47.9	0	0	0	112.7	Q3 N4 A7 A8 F13 K21 D22 H28	Q3-F25 HydrophobicContact CG-CB 3.78Å; Q3-F25 HydrophobicContact CG-CD1 3.95Å; Q3-F25 HydrophobicContact CG-CD2 4.46Å; Q3-F25 HydrophobicContact CG-CG 3.84Å; Q3-F25 VanDerWaalsContact NE2-CD2 3.31Å; N4-F25 WeakPolarHBondContact CB-O 2.97Å; N4-F25 PolarHBondContact N-O 2.88Å; N4-F25 WeakPolarHBondContact O-CD1 3.45Å; A7-F25 HydrophobicContact CB-CD1 3.9Å; A7-F25 HydrophobicContact CB-CE1 4.32Å; A8-F25 HydrophobicContact CB-CE1 4.11Å; A8-F25 HydrophobicContact CB-CZ 4.32Å; F13-F25 HydrophobicContact CE1-CE1 4.39Å; F13-F25 HydrophobicContact CE1-CE2 4.03Å; F13-F25 AromaticContact CE1-CZ 3.68Å; F13-F25 HydrophobicContact CE1-CZ 3.68Å; F13-F25 HydrophobicContact CE2-CZ 4.46Å; F13-F25 HydrophobicContact CZ-CD1 4.43Å; F13-F25 HydrophobicContact CZ-CD2 4.11Å; F13-F25 AromaticContact CZ-CE1 3.87Å; F13-F25 HydrophobicContact CZ-CE1 3.87Å; F13-F25 AromaticContact CZ-CE2 3.52Å; F13-F25 HydrophobicContact CZ-CE2 3.52Å; F13-F25 AromaticContact CZ-CZ 3.37Å; F13-F25 HydrophobicContact CZ-CZ 3.37Å; K21-F25 HydrophobicContact CB-CE2 4.4Å; K21-F25 WeakPolarHBondContact O-CD2 3.43Å; K21-F25 WeakPolarHBondContact O-CG 3.33Å; K21-F25 PolarHBondContact O-N 2.91Å; D22-F25 PolarHBondContact O-N 3.08Å; F25-H28 PolarHBondContact O-CE1 3.43Å; F25-H28 VanDerWaalsContact O-CE1 3.29Å; F25-H28 PolarHBondContact O-ND1 2.61Å
26	Y	97.4	Very high	96.7	Very high	84 Å²	84	53.5 Å²	53.5	33%	0.329	26%	0.261	S	S	.	.	H	α-helix	trans	-110.7	4.7	-174.2	-62.7	-70.2	0	0	0	114.5	C1 Q3 D22 F23 L24 H28 C29	C1-Y26 WeakPolarHBondContact SG-CD1 3.36Å; Q3-Y26 VanDerWaalsContact CA-CE1 3.47Å; Q3-Y26 HydrophobicContact CB-CE1 3.81Å; Q3-Y26 HydrophobicContact CG-CE1 4.19Å; Q3-Y26 HydrophobicContact CG-CE2 4.35Å; D22-Y26 VanDerWaalsContact O-CD2 3.31Å; D22-Y26 WeakPolarHBondContact O-CD2 3.49Å; D22-Y26 PolarHBondContact O-N 2.95Å; D22-Y26 VanDerWaalsContact O-N 3.09Å; D22-Y26 WeakPolarHBondContact OD1-CD2 3.31Å; D22-Y26 VanDerWaalsContact OD1-CE2 3.25Å; D22-Y26 WeakPolarHBondContact OD1-CE2 3.48Å; F23-Y26 CarbonylContact O-C 3.55Å; F23-Y26 PolarHBondContact O-N 3.49Å; L24-Y26 VanDerWaalsContact C-N 3.27Å; L24-Y26 PolarHBondContact O-N 3.09Å; Y26-H28 PolarHBondContact O-N 3.34Å; Y26-C29 VanDerWaalsContact O-CB 3.32Å; Y26-C29 WeakPolarHBondContact O-CB 3.07Å; Y26-C29 PolarHBondContact O-N 3.09Å
27	R	96.6	Very high	96.8	Very high	55 Å²	55	56.1 Å²	56.1	21%	0.208	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-27.9	-177.6	-169.9	179.7	-177.4	175.8	7.6	114.6	F23 V205 I239	F23-R27 HydrophobicContact CE1-CB 4.45Å; F23-R27 HydrophobicContact CE1-CG 3.96Å; F23-R27 HydrophobicContact CZ-CG 3.98Å; F23-R27 VanDerWaalsContact O-CA 3.3Å; F23-R27 WeakPolarHBondContact O-CA 3.17Å; F23-R27 VanDerWaalsContact O-CB 3.28Å; F23-R27 WeakPolarHBondContact O-CB 3.38Å; F23-R27 PolarHBondContact O-N 2.89Å; R27-V205 PolarHBondContact NH1-O 3.12Å; R27-V205 VanDerWaalsContact NH1-O 3.16Å; R27-V205 PolarHBondContact NH2-O 2.67Å; R27-I239 HydrophobicContact CG-CB 4.28Å; R27-I239 VanDerWaalsContact CZ-O 3.29Å; R27-I239 PolarHBondContact NE-O 2.6Å; R27-I239 PolarHBondContact NH2-O 3.3Å
28	H	95.6	Very high	96.8	Very high	96 Å²	96	54.8 Å²	54.8	44%	0.444	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-16.1	-178.5	67.4	-77.3	0	0	0	113.3	R2 F25 Y26 R30	R2-H28 PolarHBondContact O-CE1 3.1Å; R2-H28 PolarHBondContact O-NE2 3.43Å; R2-H28 VanDerWaalsContact O-NE2 3.14Å; F25-H28 PolarHBondContact O-CE1 3.43Å; F25-H28 VanDerWaalsContact O-CE1 3.29Å; F25-H28 PolarHBondContact O-ND1 2.61Å; Y26-H28 PolarHBondContact O-N 3.34Å; H28-R30 PolarHBondContact O-N 3.27Å
29	C	96.4	Very high	96.6	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.061	26%	0.255	C	S	.	.			trans	-78.4	122.5	-176.5	-67.7	0	0	0	0	111.7	C1 Y26 F32	C1-C29 VanDerWaalsContact CA-SG 3.58Å; C1-C29 HydrophobicContact CB-CB 3.66Å; C1-C29 WeakPolarHBondContact CB-SG 3.34Å; C1-C29 WeakPolarHBondContact SG-CB 3.5Å; C1-C29 CovalentContact SG-SG 2.01Å; C1-C29 PolarHBondContact SG-SG 3.39Å; Y26-C29 VanDerWaalsContact O-CB 3.32Å; Y26-C29 WeakPolarHBondContact O-CB 3.07Å; Y26-C29 PolarHBondContact O-N 3.09Å; C29-F32 HydrophobicContact CB-CE2 4.02Å; C29-F32 HydrophobicContact CB-CZ 3.94Å
30	R	94.9	Very high	96.5	Very high	41 Å²	41	53.7 Å²	53.7	16%	0.155	27%	0.268	C	S	.	.			trans	-123.5	-14.6	-177.8	-66.2	178.4	-176.5	-91.5	1.4	114.4	H28 L135 S234 I237 I239 Y246	H28-R30 PolarHBondContact O-N 3.27Å; R30-L135 VanDerWaalsContact O-CD2 3.25Å; R30-L135 WeakPolarHBondContact O-CD2 3.22Å; R30-S234 PolarHBondContact NH1-O 3.44Å; R30-S234 PolarHBondContact NH2-O 3.2Å; R30-I237 PolarHBondContact NH2-O 2.99Å; R30-I239 HydrophobicContact CG-CD1 4.15Å; R30-Y246 PolarHBondContact NH1-OH 3.33Å
31	H	93.7	Very high	96.4	Very high	128 Å²	128	55.1 Å²	55.1	59%	0.593	27%	0.274	S	S	*	.			trans	-117.6	127.5	-175.1	-54	101.2	0	0	0	109.5	E138	H31-E138 IonicContact CD2-OE1 3.73Å; H31-E138 IonicContact CD2-OE2 3.08Å
32	F	97	Very high	96.3	Very high	48 Å²	48	54 Å²	54	21%	0.211	27%	0.27	C	S	.	.			trans	-136.2	146.2	178.7	-71.3	-92.6	0	0	0	109.2	C1 C29 M34 W120 D121 F122 L131 L135	C1-F32 HydrophobicContact CB-CE1 4.23Å; C1-F32 HydrophobicContact CB-CZ 4.18Å; C29-F32 HydrophobicContact CB-CE2 4.02Å; C29-F32 HydrophobicContact CB-CZ 3.94Å; F32-M34 PolarHBondContact O-N 2.88Å; F32-W120 HydrophobicContact CB-CB 4.38Å; F32-D121 WeakPolarHBondContact CD1-O 3.43Å; F32-F122 HydrophobicContact CB-CB 4.42Å; F32-F122 HydrophobicContact CD1-CB 3.65Å; F32-F122 HydrophobicContact CD2-CB 4.11Å; F32-F122 HydrophobicContact CE1-CB 3.81Å; F32-F122 HydrophobicContact CE2-CB 4.3Å; F32-F122 HydrophobicContact CG-CB 3.79Å; F32-F122 HydrophobicContact CZ-CB 4.13Å; F32-L131 HydrophobicContact CD2-CD1 4.01Å; F32-L131 HydrophobicContact CD2-CD2 3.83Å; F32-L131 HydrophobicContact CD2-CG 4.37Å; F32-L131 HydrophobicContact CE2-CD1 3.83Å; F32-L131 HydrophobicContact CE2-CD2 3.3Å; F32-L131 HydrophobicContact CE2-CG 4.14Å; F32-L131 HydrophobicContact CZ-CD2 3.88Å; F32-L135 HydrophobicContact CB-CD1 4.45Å; F32-L135 HydrophobicContact CD2-CD1 4.3Å
33	P	96.9	Very high	96.1	Very high	83 Å²	83	52.2 Å²	52.2	54%	0.539	27%	0.27	S	S	.	.			trans	-55.4	138.9	175.5	-24.2	34.1	0	0	0	111.4	W120 D121	P33-W120 CarbonylContact O-C 3.58Å; P33-W120 VanDerWaalsContact O-CA 3.28Å; P33-W120 WeakPolarHBondContact O-CA 3.3Å; P33-D121 HydrophobicContact CB-CB 4.43Å; P33-D121 PolarHBondContact O-N 2.97Å
34	M	97.4	Very high	95.7	Very high	64 Å²	64	52.9 Å²	52.9	32%	0.315	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131	170.9	-165.1	170.8	-73.8	0	0	109	F32 L36 D37 W120 W139	F32-M34 PolarHBondContact O-N 2.88Å; M34-L36 WeakPolarHBondContact CG-O 3.32Å; M34-D37 HydrophobicContact CG-CB 4.29Å; M34-D37 HydrophobicContact SD-CB 3.49Å; M34-D37 WeakPolarHBondContact SD-CB 3.48Å; M34-D37 VanDerWaalsContact SD-OD1 3.39Å; M34-W120 HydrophobicContact CE-CZ2 3.87Å; M34-W120 VanDerWaalsContact CE-NE1 3.3Å; M34-W139 HydrophobicContact CE-CB 4.46Å; M34-W139 HydrophobicContact CE-CG 4.35Å
35	L	98.3	Very high	95.3	Very high	73 Å²	73	54.4 Å²	54.4	38%	0.382	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-40.5	178.6	-60.6	-179.5	0	0	0	111.3	V93 Q119 D121	L35-V93 HydrophobicContact CD1-CG1 3.59Å; L35-Q119 HydrophobicContact CB-CB 4.24Å; L35-Q119 HydrophobicContact CB-CG 4.27Å; L35-Q119 HydrophobicContact CD1-CG 4.27Å; L35-Q119 PolarHBondContact N-O 2.78Å; L35-D121 HydrophobicContact CD1-CB 3.97Å; L35-D121 HydrophobicContact CD2-CB 4.11Å; L35-D121 HydrophobicContact CG-CB 4.06Å
36	L	98.6	Very high	95	Very high	24 Å²	24	61.9 Å²	61.9	13%	0.126	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.3	177	-56.5	175.2	0	0	0	109	M34 L107 Q111 I117 Q119	M34-L36 WeakPolarHBondContact CG-O 3.32Å; L36-L107 HydrophobicContact CD1-CB 3.94Å; L36-Q111 HydrophobicContact CB-CG 4.49Å; L36-Q111 HydrophobicContact CD1-CB 4.04Å; L36-Q111 HydrophobicContact CD1-CG 4.35Å; L36-Q111 HydrophobicContact CD2-CB 4.43Å; L36-Q111 HydrophobicContact CD2-CG 4.25Å; L36-I117 HydrophobicContact CD1-CG2 4.02Å; L36-Q119 HydrophobicContact CB-CB 3.84Å; L36-Q119 HydrophobicContact CD1-CB 3.98Å; L36-Q119 HydrophobicContact CG-CB 3.93Å; L36-Q119 PolarHBondContact N-O 2.95Å; L36-Q119 PolarHBondContact O-N 3.27Å
37	D	98	Very high	94.8	Very high	70 Å²	70	64.1 Å²	64.1	37%	0.374	34%	0.339	S	S	.	.			trans	-124	162.7	-176.4	-164.2	9	0	0	0	111.7	M34 Q111 W139	M34-D37 HydrophobicContact CG-CB 4.29Å; M34-D37 HydrophobicContact SD-CB 3.49Å; M34-D37 WeakPolarHBondContact SD-CB 3.48Å; M34-D37 VanDerWaalsContact SD-OD1 3.39Å; D37-Q111 PolarHBondContact O-NE2 2.81Å; D37-Q111 VanDerWaalsContact O-NE2 3.16Å; D37-W139 PolarHBondContact OD1-NE1 3.16Å
38	L	96.4	Very high	94.7	Very high	11 Å²	11	61.5 Å²	61.5	6%	0.058	33%	0.329	C	S	.	.			trans	-139	48.8	-177.7	-65.6	177.2	0	0	0	113	D40 K41 I88 R115 L118 W139	L38-D40 PolarHBondContact O-N 3.07Å; L38-K41 HydrophobicContact CB-CB 3.91Å; L38-K41 HydrophobicContact CD1-CB 4.5Å; L38-K41 WeakPolarHBondContact O-CB 3.2Å; L38-K41 PolarHBondContact O-N 2.9Å; L38-I88 HydrophobicContact CD1-CD1 4.42Å; L38-I88 HydrophobicContact CD1-CG1 4.02Å; L38-I88 HydrophobicContact CD1-CG2 4.04Å; L38-R115 HydrophobicContact CD2-CB 4.46Å; L38-R115 WeakPolarHBondContact CD2-O 3.38Å; L38-L118 HydrophobicContact CB-CD2 3.77Å; L38-L118 HydrophobicContact CD1-CD2 3.94Å; L38-L118 HydrophobicContact CD1-CG 3.88Å; L38-L118 HydrophobicContact CG-CD2 3.75Å; L38-L118 HydrophobicContact CG-CG 4.25Å; L38-W139 HydrophobicContact CB-CZ2 3.87Å; L38-W139 VanDerWaalsContact O-CZ2 3.31Å; L38-W139 WeakPolarHBondContact O-CZ2 3.39Å
39	P	93.4	Very high	94.6	Very high	59 Å²	59	58 Å²	58	38%	0.383	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-31.4	-167.6	23	-34.6	0	0	0	113.8	N143	P39-N143 WeakPolarHBondContact CA-OD1 3.37Å
40	D	92.2	Very high	94.6	Very high	127 Å²	127	62.6 Å²	62.6	68%	0.679	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	5.2	-177.1	-58.2	-52.7	0	0	0	115	L38 C42 G43	L38-D40 PolarHBondContact O-N 3.07Å; D40-C42 PolarHBondContact O-N 2.9Å; D40-C42 VanDerWaalsContact O-N 3.14Å; D40-G43 WeakPolarHBondContact O-CA 3.39Å; D40-G43 PolarHBondContact O-N 3.49Å
41	K	95.1	Very high	94.8	Very high	30 Å²	30	60.8 Å²	60.8	13%	0.13	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.9	-174.4	174.7	66.4	84	174.5	0	113.3	L38 E77 R87 I88 R115 W139	L38-K41 HydrophobicContact CB-CB 3.91Å; L38-K41 HydrophobicContact CD1-CB 4.5Å; L38-K41 WeakPolarHBondContact O-CB 3.2Å; L38-K41 PolarHBondContact O-N 2.9Å; K41-E77 IonicContact NZ-OE1 3.51Å; K41-E77 PolarHBondContact NZ-OE1 2.86Å; K41-R87 WeakPolarHBondContact CE-O 3.42Å; K41-R87 PolarHBondContact NZ-O 3.29Å; K41-I88 HydrophobicContact CD-CG1 4.4Å; K41-I88 HydrophobicContact CG-CD1 3.86Å; K41-I88 HydrophobicContact CG-CG1 3.78Å; K41-R115 WeakPolarHBondContact CE-O 3.1Å; K41-R115 PolarHBondContact NZ-O 3.08Å; K41-W139 HydrophobicContact CB-CH2 4.42Å
42	C	95.4	Very high	95	Very high	7 Å²	7	55.2 Å²	55.2	5%	0.047	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	13.3	174.9	-65.2	0	0	0	0	113.6	D40 G44 K47 S48 V51 C144	D40-C42 PolarHBondContact O-N 2.9Å; D40-C42 VanDerWaalsContact O-N 3.14Å; C42-G44 VanDerWaalsContact C-N 3.26Å; C42-K47 CarbonylContact O-C 3.58Å; C42-S48 WeakPolarHBondContact O-CA 3.41Å; C42-S48 PolarHBondContact O-N 3.47Å; C42-V51 HydrophobicContact CB-CG2 4Å; C42-C144 HydrophobicContact CB-CB 3.88Å; C42-C144 WeakPolarHBondContact CB-SG 3.41Å; C42-C144 WeakPolarHBondContact SG-CB 3.31Å; C42-C144 CovalentContact SG-SG 2.02Å; C42-C144 PolarHBondContact SG-SG 3.08Å
43	G	90.9	Very high	95.1	Very high	41 Å²	41	52.9 Å²	52.9	42%	0.423	30%	0.3	S	S	.	.	S	Bend	trans	72.9	18.5	-173	0	0	0	0	0	113.7	D40 K47	D40-G43 WeakPolarHBondContact O-CA 3.39Å; D40-G43 PolarHBondContact O-N 3.49Å; G43-K47 WeakPolarHBondContact O-CB 3.47Å
44	G	89.4	Confident	95.2	Very high	19 Å²	19	49 Å²	49	20%	0.196	28%	0.275	C	S	.	.	S	Bend	trans	86	172.1	-171.3	0	0	0	0	0	113.4	C42 E46 K47 S48	C42-G44 VanDerWaalsContact C-N 3.26Å; G44-E46 VanDerWaalsContact C-N 3.3Å; G44-E46 PolarHBondContact O-N 2.9Å; G44-K47 PolarHBondContact O-N 3.39Å; G44-S48 PolarHBondContact O-N 3.36Å
45	A	90.1	Very high	95.2	Very high	43 Å²	43	45.9 Å²	45.9	36%	0.355	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-41.2	-174.4	0	0	0	0	0	113.2	S48 P145 N146	A45-S48 PolarHBondContact O-N 3.3Å; A45-S48 PolarHBondContact O-OG 3.03Å; A45-P145 HydrophobicContact CB-CG 4.02Å; A45-N146 PolarHBondContact O-ND2 2.79Å
46	E	90.3	Very high	95.3	Very high	187 Å²	187	42.4 Å²	42.4	87%	0.874	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-36.7	-177.3	-61.9	-176.5	167.6	0	0	113	G44	G44-E46 VanDerWaalsContact C-N 3.3Å; G44-E46 PolarHBondContact O-N 2.9Å
47	K	94.1	Very high	95.3	Very high	132 Å²	132	41.3 Å²	41.3	57%	0.574	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.1	-179.5	-59.1	-176.6	-179.3	174.2	0	113.5	C42 G43 G44 G49 D50	C42-K47 CarbonylContact O-C 3.58Å; G43-K47 WeakPolarHBondContact O-CB 3.47Å; G44-K47 PolarHBondContact O-N 3.39Å; K47-G49 PolarHBondContact O-N 3.4Å; K47-D50 VanDerWaalsContact O-CB 3.31Å; K47-D50 WeakPolarHBondContact O-CB 3.35Å; K47-D50 PolarHBondContact O-N 2.79Å
48	S	94.1	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.4	-18.7	-179.1	64	0	0	0	0	114.4	C42 G44 A45 D50 V51 P145 N146 A147	C42-S48 WeakPolarHBondContact O-CA 3.41Å; C42-S48 PolarHBondContact O-N 3.47Å; G44-S48 PolarHBondContact O-N 3.36Å; A45-S48 PolarHBondContact O-N 3.3Å; A45-S48 PolarHBondContact O-OG 3.03Å; S48-D50 PolarHBondContact O-N 3.08Å; S48-V51 PolarHBondContact O-N 2.77Å; S48-V51 VanDerWaalsContact O-N 3.16Å; S48-P145 WeakPolarHBondContact OG-CD 3.45Å; S48-N146 CarbonylContact O-C 3.15Å; S48-N146 VanDerWaalsContact OG-CB 3.3Å; S48-N146 WeakPolarHBondContact OG-CB 3.22Å; S48-N146 PolarHBondContact OG-N 2.89Å; S48-A147 WeakPolarHBondContact O-CA 3.26Å; S48-A147 PolarHBondContact O-N 2.99Å
49	G	94.8	Very high	95.4	Very high	21 Å²	21	38 Å²	38	22%	0.216	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.5	-15.6	171.9	0	0	0	0	0	115.5	K47 V51 N146 R148	K47-G49 PolarHBondContact O-N 3.4Å; G49-V51 VanDerWaalsContact C-N 3.33Å; G49-N146 WeakPolarHBondContact CA-O 3.41Å; G49-R148 PolarHBondContact O-NE 2.8Å; G49-R148 PolarHBondContact O-NH2 2.83Å
50	D	95.8	Very high	95.6	Very high	106 Å²	106	36.8 Å²	36.8	57%	0.567	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-78.4	-20.4	174.8	-64.6	-20.7	0	0	0	111.9	K47 S48 F52 P84	K47-D50 VanDerWaalsContact O-CB 3.31Å; K47-D50 WeakPolarHBondContact O-CB 3.35Å; K47-D50 PolarHBondContact O-N 2.79Å; S48-D50 PolarHBondContact O-N 3.08Å; D50-F52 PolarHBondContact O-N 3.41Å; D50-P84 WeakPolarHBondContact O-CB 3.41Å; D50-P84 VanDerWaalsContact O-CG 3.25Å; D50-P84 WeakPolarHBondContact O-CG 3.33Å
51	V	98.1	Very high	95.9	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	18%	0.178	C	C	.	.			trans	-78.1	104.8	174.8	-176.5	0	0	0	0	108.9	C42 S48 G49 L54 R86 A147 R148	C42-V51 HydrophobicContact CB-CG2 4Å; S48-V51 PolarHBondContact O-N 2.77Å; S48-V51 VanDerWaalsContact O-N 3.16Å; G49-V51 VanDerWaalsContact C-N 3.33Å; V51-L54 HydrophobicContact CG1-CB 4.01Å; V51-L54 HydrophobicContact CG1-CD1 4.5Å; V51-R86 HydrophobicContact CG1-CB 4.06Å; V51-R86 HydrophobicContact CG1-CG 4.08Å; V51-R86 HydrophobicContact CG2-CG 3.98Å; V51-A147 HydrophobicContact CB-CB 4.21Å; V51-A147 HydrophobicContact CG1-CB 4.31Å; V51-R148 PolarHBondContact O-N 2.88Å
52	F	98.6	Very high	96	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.044	20%	0.196	C	C	.	.	S	Bend	trans	-74.3	-49.9	177.4	178.8	-93.2	0	0	0	111.5	D50 M83 P84 F149 V165 L168 Q169	D50-F52 PolarHBondContact O-N 3.41Å; F52-M83 HydrophobicContact CB-CB 3.82Å; F52-M83 HydrophobicContact CB-CG 4.48Å; F52-M83 HydrophobicContact CB-SD 4.31Å; F52-M83 HydrophobicContact CD1-CB 3.61Å; F52-M83 HydrophobicContact CD1-CG 4.01Å; F52-M83 HydrophobicContact CD1-SD 4.47Å; F52-M83 HydrophobicContact CD2-CB 4.15Å; F52-M83 HydrophobicContact CD2-CG 3.92Å; F52-M83 HydrophobicContact CD2-SD 3.31Å; F52-M83 WeakPolarHBondContact CD2-SD 3.29Å; F52-M83 HydrophobicContact CE1-CB 4.18Å; F52-M83 HydrophobicContact CE1-CG 4.17Å; F52-M83 HydrophobicContact CE2-CG 4.08Å; F52-M83 HydrophobicContact CE2-SD 3.61Å; F52-M83 HydrophobicContact CG-CB 3.59Å; F52-M83 HydrophobicContact CG-CG 3.88Å; F52-M83 HydrophobicContact CG-SD 3.79Å; F52-M83 HydrophobicContact CZ-CG 4.2Å; F52-M83 HydrophobicContact CZ-SD 4.32Å; F52-P84 WeakPolarHBondContact CB-O 3.21Å; F52-P84 PolarHBondContact N-O 2.94Å; F52-P84 VanDerWaalsContact N-O 3.08Å; F52-F149 HydrophobicContact CD2-CD2 4.33Å; F52-F149 HydrophobicContact CD2-CE2 4.48Å; F52-F149 HydrophobicContact CE1-CD2 4.17Å; F52-F149 AromaticContact CE2-CD2 3.93Å; F52-F149 HydrophobicContact CE2-CD2 3.93Å; F52-F149 AromaticContact CE2-CE2 3.78Å; F52-F149 HydrophobicContact CE2-CE2 3.78Å; F52-F149 AromaticContact CZ-CD2 3.85Å; F52-F149 HydrophobicContact CZ-CD2 3.85Å; F52-F149 AromaticContact CZ-CE2 3.86Å; F52-F149 HydrophobicContact CZ-CE2 3.86Å; F52-F149 WeakPolarHBondContact O-CB 3.13Å; F52-F149 PolarHBondContact O-N 2.98Å; F52-V165 HydrophobicContact CD1-CG2 4.26Å; F52-V165 HydrophobicContact CE1-CB 4.36Å; F52-V165 HydrophobicContact CE1-CG1 4.11Å; F52-V165 HydrophobicContact CE1-CG2 4.13Å; F52-L168 HydrophobicContact CE1-CB 3.91Å; F52-L168 HydrophobicContact CE1-CD1 4.1Å; F52-L168 HydrophobicContact CZ-CB 3.68Å; F52-Q169 HydrophobicContact CE2-CG 4.35Å; F52-Q169 HydrophobicContact CZ-CG 3.9Å
53	L	98.8	Very high	96.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	115.2	178.6	179.3	61.9	0	0	0	110.3	L55 P84 I85 R86 F149 L151 M164 V165 L168 L221	L53-L55 HydrophobicContact CD1-CD2 4.44Å; L53-L55 HydrophobicContact CD2-CD2 3.76Å; L53-L55 HydrophobicContact CG-CD2 3.78Å; L53-P84 PolarHBondContact N-O 3.04Å; L53-P84 VanDerWaalsContact N-O 3.15Å; L53-I85 HydrophobicContact CB-CG1 4.36Å; L53-I85 WeakPolarHBondContact O-CA 3.39Å; L53-R86 PolarHBondContact O-N 2.89Å; L53-F149 WeakPolarHBondContact CA-O 3.24Å; L53-F149 HydrophobicContact CD1-CB 4.18Å; L53-L151 HydrophobicContact CD1-CB 4.33Å; L53-M164 HydrophobicContact CD2-CB 4.27Å; L53-V165 HydrophobicContact CD2-CG2 4.31Å; L53-L168 HydrophobicContact CD1-CD1 4.07Å; L53-L221 HydrophobicContact CD1-CD2 4.29Å
54	L	98.8	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.7	171.6	-176.2	62.5	0	0	0	109.6	V51 V56 R86 I88 F136 C144 F149 L150 L151	V51-L54 HydrophobicContact CG1-CB 4.01Å; V51-L54 HydrophobicContact CG1-CD1 4.5Å; L54-V56 HydrophobicContact CD2-CG2 4.11Å; L54-V56 HydrophobicContact CG-CG2 3.93Å; L54-V56 PolarHBondContact O-N 3.05Å; L54-R86 HydrophobicContact CD1-CB 3.93Å; L54-I88 HydrophobicContact CD1-CD1 3.9Å; L54-I88 HydrophobicContact CD1-CG1 4.01Å; L54-I88 HydrophobicContact CD2-CD1 4.26Å; L54-F136 HydrophobicContact CD2-CE2 4.44Å; L54-F136 HydrophobicContact CD2-CZ 4.09Å; L54-C144 HydrophobicContact CD2-CB 4.49Å; L54-F149 PolarHBondContact N-O 2.8Å; L54-L150 HydrophobicContact CB-CG 4.31Å; L54-L150 CarbonylContact O-C 3.49Å; L54-L150 VanDerWaalsContact O-CA 3.22Å; L54-L150 WeakPolarHBondContact O-CA 2.97Å; L54-L151 PolarHBondContact O-N 3.05Å
55	L	98.9	Very high	96.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	109.9	173.9	-48	179.1	0	0	0	108.3	L53 I57 W74 I85 R86 R87 I88 L151 T161	L53-L55 HydrophobicContact CD1-CD2 4.44Å; L53-L55 HydrophobicContact CD2-CD2 3.76Å; L53-L55 HydrophobicContact CG-CD2 3.78Å; L55-I57 HydrophobicContact CB-CD1 4.3Å; L55-I57 HydrophobicContact CB-CG1 4.44Å; L55-W74 HydrophobicContact CD1-CZ3 4.5Å; L55-I85 HydrophobicContact CD1-CG2 3.74Å; L55-I85 HydrophobicContact CD2-CG2 4.1Å; L55-I85 HydrophobicContact CG-CG2 3.74Å; L55-R86 WeakPolarHBondContact CG-O 3.38Å; L55-R86 PolarHBondContact N-O 3.4Å; L55-R87 HydrophobicContact CB-CB 4.42Å; L55-R87 HydrophobicContact CB-CG 4.4Å; L55-R87 CarbonylContact O-C 3.55Å; L55-R87 WeakPolarHBondContact O-CA 3.46Å; L55-I88 PolarHBondContact O-N 3.13Å; L55-L151 HydrophobicContact CD2-CB 3.85Å; L55-L151 HydrophobicContact CD2-CD2 3.94Å; L55-T161 HydrophobicContact CD1-CG2 3.99Å; L55-T161 HydrophobicContact CD2-CG2 3.83Å
56	V	98.8	Very high	97.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	106.2	178.5	-174.1	0	0	0	0	107.7	L54 I90 F136 L150 L151 N152 G153	L54-V56 HydrophobicContact CD2-CG2 4.11Å; L54-V56 HydrophobicContact CG-CG2 3.93Å; L54-V56 PolarHBondContact O-N 3.05Å; V56-I90 HydrophobicContact CG1-CD1 3.78Å; V56-I90 HydrophobicContact CG1-CG1 4.29Å; V56-I90 HydrophobicContact CG1-CG2 4.14Å; V56-F136 HydrophobicContact CB-CE1 4.3Å; V56-F136 HydrophobicContact CB-CE2 4.42Å; V56-F136 HydrophobicContact CB-CZ 4.14Å; V56-F136 HydrophobicContact CG1-CD1 3.81Å; V56-F136 HydrophobicContact CG1-CD2 3.8Å; V56-F136 HydrophobicContact CG1-CE1 3.8Å; V56-F136 HydrophobicContact CG1-CE2 3.78Å; V56-F136 HydrophobicContact CG1-CG 3.83Å; V56-F136 HydrophobicContact CG1-CZ 3.79Å; V56-F136 HydrophobicContact CG2-CE1 3.69Å; V56-F136 HydrophobicContact CG2-CE2 3.72Å; V56-F136 HydrophobicContact CG2-CZ 3.22Å; V56-L150 HydrophobicContact CG2-CD2 4.01Å; V56-L151 PolarHBondContact N-O 3.05Å; V56-N152 WeakPolarHBondContact O-CA 3.37Å; V56-G153 PolarHBondContact O-N 2.69Å
57	I	98.8	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.1	-168.4	-57.1	156.5	0	0	0	109.2	L55 S59 L70 W74 R87 I88 F89 I90 G153 D155	L55-I57 HydrophobicContact CB-CD1 4.3Å; L55-I57 HydrophobicContact CB-CG1 4.44Å; I57-S59 PolarHBondContact O-N 3.22Å; I57-L70 HydrophobicContact CD1-CD2 3.99Å; I57-L70 HydrophobicContact CG2-CD2 3.88Å; I57-W74 HydrophobicContact CD1-CH2 3.99Å; I57-W74 HydrophobicContact CD1-CZ3 4.01Å; I57-W74 HydrophobicContact CG1-CH2 4.11Å; I57-W74 HydrophobicContact CG1-CZ3 4.32Å; I57-R87 HydrophobicContact CD1-CG 3.66Å; I57-I88 PolarHBondContact N-O 3.43Å; I57-F89 HydrophobicContact CB-CD1 3.68Å; I57-F89 HydrophobicContact CB-CE1 3.92Å; I57-F89 HydrophobicContact CD1-CD1 4.15Å; I57-F89 HydrophobicContact CD1-CE1 3.66Å; I57-F89 HydrophobicContact CD1-CZ 4.26Å; I57-F89 HydrophobicContact CG1-CE1 4.43Å; I57-F89 HydrophobicContact CG2-CD1 3.79Å; I57-F89 HydrophobicContact CG2-CE1 3.81Å; I57-F89 WeakPolarHBondContact O-CA 3.18Å; I57-I90 PolarHBondContact O-N 2.92Å; I57-G153 CarbonylContact C-O 3.58Å; I57-G153 WeakPolarHBondContact CA-O 3.47Å; I57-D155 HydrophobicContact CG2-CB 3.93Å
58	K	98.7	Very high	97.9	Very high	9 Å²	9	28.7 Å²	28.7	4%	0.039	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	118.7	171.9	-70	175	-84.2	164.4	0	109	I90 L129 K132 G153 D154 D155 D243	K58-I90 HydrophobicContact CG-CD1 3.89Å; K58-I90 HydrophobicContact CG-CG1 4.14Å; K58-L129 HydrophobicContact CD-CD2 4.24Å; K58-K132 HydrophobicContact CG-CD 4.27Å; K58-G153 PolarHBondContact N-O 3.4Å; K58-D154 WeakPolarHBondContact CE-OD1 3.45Å; K58-D154 IonicContact NZ-OD1 3.51Å; K58-D154 PolarHBondContact NZ-OD1 3.26Å; K58-D155 PolarHBondContact O-N 3.38Å; K58-D243 IonicContact NZ-OD2 3.65Å; K58-D243 PolarHBondContact NZ-OD2 2.94Å
59	S	98.3	Very high	98.1	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.028	16%	0.16	C	C	.	.			trans	-135.4	161.5	175.3	-164.4	0	0	0	0	110.5	I57 N63 R67 I90 K132 D155	I57-S59 PolarHBondContact O-N 3.22Å; S59-N63 WeakPolarHBondContact OG-CB 3.39Å; S59-R67 WeakPolarHBondContact OG-CG 3.31Å; S59-R67 PolarHBondContact OG-NH1 2.86Å; S59-R67 VanDerWaalsContact OG-NH1 3.12Å; S59-I90 PolarHBondContact N-O 3.46Å; S59-I90 VanDerWaalsContact N-O 3.14Å; S59-I90 VanDerWaalsContact O-O 3.1Å; S59-K132 PolarHBondContact O-NZ 3.48Å; S59-D155 WeakPolarHBondContact CA-OD2 3.42Å; S59-D155 VanDerWaalsContact CB-OD2 3.31Å; S59-D155 WeakPolarHBondContact CB-OD2 3.48Å; S59-D155 PolarHBondContact OG-OD2 3.11Å
60	S	97.6	Very high	98.3	Very high	32 Å²	32	28.8 Å²	28.8	22%	0.224	15%	0.149	C	C	.	.			trans	-104.9	150.4	174.4	169.5	0	0	0	0	109.5	A62 N63 R67	S60-A62 PolarHBondContact O-N 3.41Å; S60-A62 VanDerWaalsContact O-N 3.07Å; S60-N63 WeakPolarHBondContact O-CB 3.46Å; S60-N63 PolarHBondContact O-N 3.05Å; S60-R67 PolarHBondContact O-NH1 2.98Å
61	P	97.9	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-40.9	-179	-30.2	36	0	0	0	114.5	N63 R67 S91 G92 S94 L103 L107	P61-N63 VanDerWaalsContact C-N 3.27Å; P61-N63 PolarHBondContact O-N 3.09Å; P61-R67 PolarHBondContact O-NH2 3.4Å; P61-S91 VanDerWaalsContact CD-OG 3.32Å; P61-S91 WeakPolarHBondContact CD-OG 3.42Å; P61-S91 WeakPolarHBondContact CG-OG 3.44Å; P61-G92 WeakPolarHBondContact CG-O 3.36Å; P61-S94 WeakPolarHBondContact CD-OG 3.45Å; P61-S94 WeakPolarHBondContact CG-OG 3.3Å; P61-L103 HydrophobicContact CB-CB 3.91Å; P61-L103 HydrophobicContact CB-CD1 4.37Å; P61-L107 HydrophobicContact CB-CD1 3.72Å; P61-L107 HydrophobicContact CB-CG 4.25Å; P61-L107 HydrophobicContact CG-CD1 3.91Å
62	A	97.6	Very high	98.4	Very high	60 Å²	60	29.8 Å²	29.8	50%	0.496	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.8	-179.7	0	0	0	0	0	115	S60 Y64 L103	S60-A62 PolarHBondContact O-N 3.41Å; S60-A62 VanDerWaalsContact O-N 3.07Å; A62-Y64 PolarHBondContact O-N 3.44Å; A62-L103 HydrophobicContact CB-CD2 4.13Å
63	N	98.3	Very high	98.4	Very high	42 Å²	42	29.3 Å²	29.3	23%	0.225	15%	0.146	C	C	.	.			trans	-82.8	40.2	-172.9	-72.1	-11.7	0	0	0	114	S59 S60 P61 E65 R66 R67 D155	S59-N63 WeakPolarHBondContact OG-CB 3.39Å; S60-N63 WeakPolarHBondContact O-CB 3.46Å; S60-N63 PolarHBondContact O-N 3.05Å; P61-N63 VanDerWaalsContact C-N 3.27Å; P61-N63 PolarHBondContact O-N 3.09Å; N63-E65 PolarHBondContact O-N 2.98Å; N63-R66 HydrophobicContact CB-CB 4.21Å; N63-R66 HydrophobicContact CB-CG 4.33Å; N63-R66 PolarHBondContact O-N 3.02Å; N63-R67 PolarHBondContact O-N 2.95Å; N63-R67 VanDerWaalsContact O-N 3.11Å; N63-R67 PolarHBondContact O-NH1 3.06Å; N63-D155 WeakPolarHBondContact CB-OD2 3.15Å; N63-D155 PolarHBondContact ND2-OD2 2.95Å
64	Y	98.2	Very high	98.4	Very high	76 Å²	76	29.3 Å²	29.3	30%	0.298	15%	0.146	S	C	.	.	H	α-helix	trans	-54.4	-49.2	179.6	177.3	-91.2	0	0	0	112.1	A62 R66 R67 E68 L106 E110	A62-Y64 PolarHBondContact O-N 3.44Å; Y64-R66 VanDerWaalsContact C-N 3.29Å; Y64-R66 PolarHBondContact O-N 2.87Å; Y64-R67 PolarHBondContact O-N 3.11Å; Y64-E68 HydrophobicContact CE1-CB 4.42Å; Y64-E68 WeakPolarHBondContact O-CB 3.4Å; Y64-E68 PolarHBondContact O-N 3.18Å; Y64-L106 HydrophobicContact CD2-CD1 4.13Å; Y64-E110 HydrophobicContact CD2-CB 4.43Å; Y64-E110 HydrophobicContact CD2-CG 4.08Å; Y64-E110 HydrophobicContact CE2-CB 4.26Å; Y64-E110 HydrophobicContact CE2-CG 3.87Å
65	E	98.2	Very high	98.3	Very high	143 Å²	143	29.3 Å²	29.3	67%	0.668	15%	0.146	S	C	*	.	H	α-helix	trans	-60.4	-36.9	-179.4	-65.7	-176	176.4	0	0	113.2	N63 V69	N63-E65 PolarHBondContact O-N 2.98Å; E65-V69 WeakPolarHBondContact O-CG2 3.35Å; E65-V69 PolarHBondContact O-N 3.31Å
66	R	98.5	Very high	98.3	Very high	65 Å²	65	34.9 Å²	34.9	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-54.1	176.2	-66	-174.8	178.6	-165.6	-7	109.5	N63 Y64 E68 V69 L70 D155 P295	N63-R66 HydrophobicContact CB-CB 4.21Å; N63-R66 HydrophobicContact CB-CG 4.33Å; N63-R66 PolarHBondContact O-N 3.02Å; Y64-R66 VanDerWaalsContact C-N 3.29Å; Y64-R66 PolarHBondContact O-N 2.87Å; R66-E68 PolarHBondContact O-N 3.02Å; R66-V69 PolarHBondContact O-N 3.38Å; R66-L70 WeakPolarHBondContact O-CD1 3.43Å; R66-L70 PolarHBondContact O-N 3.26Å; R66-D155 HydrophobicContact CB-CB 4.28Å; R66-D155 VanDerWaalsContact CD-CG 3.48Å; R66-D155 WeakPolarHBondContact CD-OD1 3.38Å; R66-D155 IonicContact CZ-OD1 3.19Å; R66-D155 IonicContact NE-OD1 2.85Å; R66-D155 IonicContact NH1-OD1 3.23Å; R66-D155 PolarHBondContact NH1-OD1 3.29Å; R66-P295 HydrophobicContact CG-CG 3.99Å
67	R	98.8	Very high	98.3	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-53.1	-46.1	178.8	-68.5	-168.4	-68.6	-81.4	3.9	110.8	S59 S60 P61 N63 Y64 V69 L70 R71 F89 E110	S59-R67 WeakPolarHBondContact OG-CG 3.31Å; S59-R67 PolarHBondContact OG-NH1 2.86Å; S59-R67 VanDerWaalsContact OG-NH1 3.12Å; S60-R67 PolarHBondContact O-NH1 2.98Å; P61-R67 PolarHBondContact O-NH2 3.4Å; N63-R67 PolarHBondContact O-N 2.95Å; N63-R67 VanDerWaalsContact O-N 3.11Å; N63-R67 PolarHBondContact O-NH1 3.06Å; Y64-R67 PolarHBondContact O-N 3.11Å; R67-V69 PolarHBondContact O-N 3.38Å; R67-L70 WeakPolarHBondContact O-CA 3.18Å; R67-L70 WeakPolarHBondContact O-CB 3.36Å; R67-L70 PolarHBondContact O-N 2.96Å; R67-L70 VanDerWaalsContact O-N 3.11Å; R67-R71 VanDerWaalsContact O-CG 3.26Å; R67-R71 WeakPolarHBondContact O-CG 3.34Å; R67-R71 PolarHBondContact O-N 2.86Å; R67-F89 HydrophobicContact CB-CD1 4.45Å; R67-F89 HydrophobicContact CB-CD2 4.29Å; R67-F89 HydrophobicContact CB-CE1 4.01Å; R67-F89 HydrophobicContact CB-CE2 3.81Å; R67-F89 HydrophobicContact CB-CZ 3.66Å; R67-F89 HydrophobicContact CG-CD1 3.69Å; R67-F89 HydrophobicContact CG-CD2 4.08Å; R67-F89 HydrophobicContact CG-CE1 3.66Å; R67-F89 HydrophobicContact CG-CE2 4.03Å; R67-F89 HydrophobicContact CG-CG 3.9Å; R67-F89 HydrophobicContact CG-CZ 3.83Å; R67-E110 IonicContact CZ-OE1 2.85Å; R67-E110 IonicContact CZ-OE2 2.97Å; R67-E110 VanDerWaalsContact CZ-OE2 3.23Å; R67-E110 VanDerWaalsContact NE-CD 3.29Å; R67-E110 IonicContact NE-OE1 3.73Å; R67-E110 PolarHBondContact NE-OE1 2.86Å; R67-E110 IonicContact NE-OE2 3.88Å; R67-E110 PolarHBondContact NE-OE2 2.91Å; R67-E110 IonicContact NH2-OE1 3.81Å; R67-E110 IonicContact NH2-OE2 3.78Å; R67-E110 PolarHBondContact NH2-OE2 3.38Å
68	E	98.5	Very high	98.2	Very high	30 Å²	30	40.1 Å²	40.1	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-43.4	-178.4	-176	56.5	-165.9	0	0	113.5	Y64 R66 L70 R71 K72 H114	Y64-E68 HydrophobicContact CE1-CB 4.42Å; Y64-E68 WeakPolarHBondContact O-CB 3.4Å; Y64-E68 PolarHBondContact O-N 3.18Å; R66-E68 PolarHBondContact O-N 3.02Å; E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 3.32Å; E68-R71 WeakPolarHBondContact O-CB 3.44Å; E68-R71 PolarHBondContact O-N 2.83Å; E68-R71 IonicContact OE2-NH1 2.83Å; E68-R71 PolarHBondContact OE2-NH1 3.18Å; E68-K72 PolarHBondContact O-N 3.23Å; E68-K72 WeakPolarHBondContact OE1-CE 3.47Å; E68-K72 IonicContact OE1-NZ 2.74Å; E68-K72 PolarHBondContact OE1-NZ 2.89Å; E68-H114 IonicContact OE2-CE1 2.66Å; E68-H114 IonicContact OE2-NE2 3.61Å
69	V	98.6	Very high	98.2	Very high	22 Å²	22	43.4 Å²	43.4	13%	0.133	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-40	172.5	167.1	0	0	0	0	111.2	E65 R66 R67 R71 K72 T73 P295 M298	E65-V69 WeakPolarHBondContact O-CG2 3.35Å; E65-V69 PolarHBondContact O-N 3.31Å; R66-V69 PolarHBondContact O-N 3.38Å; R67-V69 PolarHBondContact O-N 3.38Å; V69-R71 VanDerWaalsContact C-N 3.3Å; V69-R71 PolarHBondContact O-N 2.91Å; V69-K72 PolarHBondContact O-N 2.93Å; V69-K72 VanDerWaalsContact O-N 3.16Å; V69-T73 HydrophobicContact CG1-CG2 4.06Å; V69-T73 WeakPolarHBondContact O-CB 3.09Å; V69-T73 VanDerWaalsContact O-CG2 3.3Å; V69-T73 WeakPolarHBondContact O-CG2 3.44Å; V69-T73 PolarHBondContact O-N 3.19Å; V69-T73 PolarHBondContact O-OG1 2.79Å; V69-P295 HydrophobicContact CB-CB 4.38Å; V69-P295 HydrophobicContact CG2-CB 3.83Å; V69-M298 HydrophobicContact CG1-CB 4.15Å; V69-M298 HydrophobicContact CG1-CG 4.39Å; V69-M298 HydrophobicContact CG1-SD 4.21Å
70	L	98.7	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-37.5	177.1	-86.6	69.4	0	0	0	111.3	I57 R66 R67 E68 K72 T73 W74 G75 K76 F89 D155 M298	I57-L70 HydrophobicContact CD1-CD2 3.99Å; I57-L70 HydrophobicContact CG2-CD2 3.88Å; R66-L70 WeakPolarHBondContact O-CD1 3.43Å; R66-L70 PolarHBondContact O-N 3.26Å; R67-L70 WeakPolarHBondContact O-CA 3.18Å; R67-L70 WeakPolarHBondContact O-CB 3.36Å; R67-L70 PolarHBondContact O-N 2.96Å; R67-L70 VanDerWaalsContact O-N 3.11Å; E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 3.32Å; L70-K72 VanDerWaalsContact C-N 3.28Å; L70-K72 PolarHBondContact O-N 3.16Å; L70-T73 PolarHBondContact O-N 3.2Å; L70-W74 HydrophobicContact CD1-CZ2 4.26Å; L70-W74 HydrophobicContact CD2-CH2 3.51Å; L70-W74 HydrophobicContact CD2-CZ2 3.27Å; L70-W74 HydrophobicContact CD2-CZ3 4.43Å; L70-W74 HydrophobicContact CG-CH2 4.12Å; L70-W74 HydrophobicContact CG-CZ2 3.52Å; L70-G75 CarbonylContact O-C 3.23Å; L70-G75 WeakPolarHBondContact O-CA 2.96Å; L70-G75 PolarHBondContact O-N 3.2Å; L70-K76 PolarHBondContact O-N 3.44Å; L70-F89 HydrophobicContact CB-CE1 4.37Å; L70-F89 HydrophobicContact CB-CZ 4.09Å; L70-F89 HydrophobicContact CD2-CE1 4.02Å; L70-D155 HydrophobicContact CD2-CB 4.38Å; L70-M298 HydrophobicContact CD1-CE 3.91Å; L70-M298 HydrophobicContact CD1-SD 3.39Å; L70-M298 WeakPolarHBondContact CD1-SD 3.1Å; L70-M298 HydrophobicContact CG-SD 4.17Å
71	R	98.6	Very high	98.1	Very high	20 Å²	20	49.4 Å²	49.4	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-38.2	174.6	-55.2	-160.9	174.3	88.2	4.5	112.5	R67 E68 V69 K76 F89 E110 H114 D116	R67-R71 VanDerWaalsContact O-CG 3.26Å; R67-R71 WeakPolarHBondContact O-CG 3.34Å; R67-R71 PolarHBondContact O-N 2.86Å; E68-R71 WeakPolarHBondContact O-CB 3.44Å; E68-R71 PolarHBondContact O-N 2.83Å; E68-R71 IonicContact OE2-NH1 2.83Å; E68-R71 PolarHBondContact OE2-NH1 3.18Å; V69-R71 VanDerWaalsContact C-N 3.3Å; V69-R71 PolarHBondContact O-N 2.91Å; R71-K76 WeakPolarHBondContact O-CA 3.28Å; R71-K76 WeakPolarHBondContact O-CB 3.29Å; R71-F89 HydrophobicContact CG-CE2 4.36Å; R71-E110 IonicContact CZ-OE1 2.78Å; R71-E110 IonicContact NH1-OE1 3.7Å; R71-E110 PolarHBondContact NH1-OE1 2.85Å; R71-E110 IonicContact NH2-OE1 2.67Å; R71-E110 PolarHBondContact NH2-OE1 3.16Å; R71-H114 PolarHBondContact NE-CD2 3.47Å; R71-H114 VanDerWaalsContact NE-CG 3.29Å; R71-H114 PolarHBondContact NH1-CD2 2.86Å; R71-H114 VanDerWaalsContact NH1-CD2 3.29Å; R71-H114 PolarHBondContact NH1-NE2 3.09Å; R71-D116 IonicContact CZ-OD1 2.69Å; R71-D116 IonicContact CZ-OD2 2.8Å; R71-D116 IonicContact NE-OD1 3.29Å; R71-D116 IonicContact NE-OD2 2.69Å; R71-D116 PolarHBondContact NE-OD2 3.46Å; R71-D116 IonicContact NH2-OD1 3.23Å; R71-D116 PolarHBondContact NH2-OD1 3.27Å; R71-D116 IonicContact NH2-OD2 2.7Å
72	K	98.1	Very high	98.1	Very high	112 Å²	112	52.4 Å²	52.4	49%	0.487	27%	0.272	S	S	.	.	H	α-helix	trans	-84.2	-11.9	-178	-69.3	171	176	155	0	113.8	E68 V69 L70 Y299	E68-K72 PolarHBondContact O-N 3.23Å; E68-K72 WeakPolarHBondContact OE1-CE 3.47Å; E68-K72 IonicContact OE1-NZ 2.74Å; E68-K72 PolarHBondContact OE1-NZ 2.89Å; V69-K72 PolarHBondContact O-N 2.93Å; V69-K72 VanDerWaalsContact O-N 3.16Å; L70-K72 VanDerWaalsContact C-N 3.28Å; L70-K72 PolarHBondContact O-N 3.16Å; K72-Y299 HydrophobicContact CB-CE2 4.28Å
73	T	98.3	Very high	98.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-127.1	-173.3	61.3	0	0	0	0	111.7	V69 L70 G75 K76 Y299 W302	V69-T73 HydrophobicContact CG1-CG2 4.06Å; V69-T73 WeakPolarHBondContact O-CB 3.09Å; V69-T73 VanDerWaalsContact O-CG2 3.3Å; V69-T73 WeakPolarHBondContact O-CG2 3.44Å; V69-T73 PolarHBondContact O-N 3.19Å; V69-T73 PolarHBondContact O-OG1 2.79Å; L70-T73 PolarHBondContact O-N 3.2Å; T73-G75 VanDerWaalsContact C-N 3.25Å; T73-G75 PolarHBondContact O-N 3.25Å; T73-K76 VanDerWaalsContact O-CB 3.27Å; T73-K76 WeakPolarHBondContact O-CB 3.17Å; T73-K76 PolarHBondContact O-N 2.76Å; T73-Y299 HydrophobicContact CG2-CD2 3.94Å; T73-W302 HydrophobicContact CG2-CB 3.81Å; T73-W302 HydrophobicContact CG2-CG 3.86Å
74	W	97.8	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.6	-171	58.2	-100.5	0	0	0	113.4	L55 I57 L70 K76 R78 L151 V157 A159 T161 M298 W302	L55-W74 HydrophobicContact CD1-CZ3 4.5Å; I57-W74 HydrophobicContact CD1-CH2 3.99Å; I57-W74 HydrophobicContact CD1-CZ3 4.01Å; I57-W74 HydrophobicContact CG1-CH2 4.11Å; I57-W74 HydrophobicContact CG1-CZ3 4.32Å; L70-W74 HydrophobicContact CD1-CZ2 4.26Å; L70-W74 HydrophobicContact CD2-CH2 3.51Å; L70-W74 HydrophobicContact CD2-CZ2 3.27Å; L70-W74 HydrophobicContact CD2-CZ3 4.43Å; L70-W74 HydrophobicContact CG-CH2 4.12Å; L70-W74 HydrophobicContact CG-CZ2 3.52Å; W74-K76 VanDerWaalsContact C-N 3.25Å; W74-K76 PolarHBondContact O-N 2.82Å; W74-R78 PolarHBondContact O-NH1 2.81Å; W74-L151 HydrophobicContact CZ3-CD2 4.19Å; W74-V157 HydrophobicContact CH2-CG2 4.12Å; W74-V157 HydrophobicContact CZ2-CG2 3.84Å; W74-V157 WeakPolarHBondContact CZ2-O 3.5Å; W74-V157 PolarHBondContact NE1-O 3.16Å; W74-A159 WeakPolarHBondContact CB-O 2.93Å; W74-A159 HydrophobicContact CD2-CB 3.76Å; W74-A159 HydrophobicContact CE3-CB 3.78Å; W74-A159 HydrophobicContact CG-CB 4.13Å; W74-A159 HydrophobicContact CZ3-CB 4.21Å; W74-T161 HydrophobicContact CE3-CG2 4.11Å; W74-T161 WeakPolarHBondContact O-CG2 3.42Å; W74-T161 PolarHBondContact O-OG1 3.5Å; W74-M298 PolarHBondContact NE1-SD 3.03Å; W74-W302 HydrophobicContact CB-CD2 4.5Å; W74-W302 HydrophobicContact CB-CE3 3.79Å; W74-W302 HydrophobicContact CB-CH2 4.2Å; W74-W302 HydrophobicContact CB-CZ3 3.62Å
75	G	98.3	Very high	98.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.1	178.4	0	0	0	0	0	113.7	L70 T73 E77 R87	L70-G75 CarbonylContact O-C 3.23Å; L70-G75 WeakPolarHBondContact O-CA 2.96Å; L70-G75 PolarHBondContact O-N 3.2Å; T73-G75 VanDerWaalsContact C-N 3.25Å; T73-G75 PolarHBondContact O-N 3.25Å; G75-E77 PolarHBondContact O-N 3.27Å; G75-R87 WeakPolarHBondContact O-CD 3.18Å; G75-R87 PolarHBondContact O-NH1 2.86Å
76	K	98.2	Very high	98.1	Very high	117 Å²	117	44.5 Å²	44.5	51%	0.509	23%	0.226	S	C	.	.			trans	-53.5	123.5	-178.4	-176.5	175.5	-179.2	176.7	0	112	L70 R71 T73 W74 R78	L70-K76 PolarHBondContact O-N 3.44Å; R71-K76 WeakPolarHBondContact O-CA 3.28Å; R71-K76 WeakPolarHBondContact O-CB 3.29Å; T73-K76 VanDerWaalsContact O-CB 3.27Å; T73-K76 WeakPolarHBondContact O-CB 3.17Å; T73-K76 PolarHBondContact O-N 2.76Å; W74-K76 VanDerWaalsContact C-N 3.25Å; W74-K76 PolarHBondContact O-N 2.82Å; K76-R78 PolarHBondContact O-N 3.05Å; K76-R78 PolarHBondContact O-NH1 3.06Å
77	E	98.2	Very high	98.1	Very high	59 Å²	59	42.2 Å²	42.2	28%	0.276	22%	0.217	S	C	.	.			trans	-65	126.2	172	-59.6	-164.4	173	0	0	109.8	K41 G75 R86 R87	K41-E77 IonicContact NZ-OE1 3.51Å; K41-E77 PolarHBondContact NZ-OE1 2.86Å; G75-E77 PolarHBondContact O-N 3.27Å; E77-R86 WeakPolarHBondContact OE2-CD 3.47Å; E77-R87 HydrophobicContact CG-CB 3.94Å; E77-R87 PolarHBondContact OE1-N 3.14Å
78	R	97.9	Very high	98.1	Very high	51 Å²	51	42.1 Å²	42.1	19%	0.192	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	173.6	-176.7	65.9	-171.7	-176.7	-79.7	2	110.1	W74 K76 I85 T161 N162	W74-R78 PolarHBondContact O-NH1 2.81Å; K76-R78 PolarHBondContact O-N 3.05Å; K76-R78 PolarHBondContact O-NH1 3.06Å; R78-I85 HydrophobicContact CG-CD1 4.48Å; R78-I85 PolarHBondContact N-O 2.74Å; R78-I85 WeakPolarHBondContact O-CB 3.21Å; R78-I85 PolarHBondContact O-N 3.31Å; R78-T161 PolarHBondContact NH2-OG1 2.93Å; R78-N162 PolarHBondContact NH2-OD1 3.02Å
79	S	97.9	Very high	98.1	Very high	78 Å²	78	40.8 Å²	40.8	55%	0.545	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.8	163.2	-62.3	0	0	0	0	109.9	M83	S79-M83 WeakPolarHBondContact CA-O 3.5Å
80	Y	97.4	Very high	98.1	Very high	72 Å²	72	39.7 Å²	39.7	28%	0.282	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.6	172.8	-177.4	-101.9	0	0	0	108.9	G82 M83 N162 V165 V166	Y80-G82 PolarHBondContact O-N 3.3Å; Y80-M83 PolarHBondContact N-O 3.37Å; Y80-M83 WeakPolarHBondContact O-CB 3.45Å; Y80-M83 PolarHBondContact O-N 3.41Å; Y80-N162 HydrophobicContact CD1-CB 4.03Å; Y80-N162 HydrophobicContact CD2-CB 4.39Å; Y80-N162 WeakPolarHBondContact CD2-OD1 3.31Å; Y80-N162 HydrophobicContact CE1-CB 3.64Å; Y80-N162 HydrophobicContact CE2-CB 4.05Å; Y80-N162 HydrophobicContact CG-CB 4.38Å; Y80-V165 HydrophobicContact CD1-CB 3.99Å; Y80-V165 HydrophobicContact CD1-CG1 3.96Å; Y80-V166 HydrophobicContact CE1-CG2 4.07Å
81	N	96.6	Very high	98.1	Very high	89 Å²	89	39.8 Å²	39.8	48%	0.476	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	41	-171.3	-66.7	-6	0	0	0	113.6	M83 Q169	N81-M83 PolarHBondContact O-N 2.92Å; N81-Q169 PolarHBondContact O-NE2 2.84Å
82	G	97.1	Very high	98.1	Very high	63 Å²	63	38.8 Å²	38.8	65%	0.649	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	3.1	-177.6	0	0	0	0	0	115.1	Y80	Y80-G82 PolarHBondContact O-N 3.3Å
83	M	97.9	Very high	98.1	Very high	41 Å²	41	33.9 Å²	33.9	20%	0.202	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.6	-178	-60.6	-60.2	112.3	0	0	111.2	F52 S79 Y80 N81 V165 Q169	F52-M83 HydrophobicContact CB-CB 3.82Å; F52-M83 HydrophobicContact CB-CG 4.48Å; F52-M83 HydrophobicContact CB-SD 4.31Å; F52-M83 HydrophobicContact CD1-CB 3.61Å; F52-M83 HydrophobicContact CD1-CG 4.01Å; F52-M83 HydrophobicContact CD1-SD 4.47Å; F52-M83 HydrophobicContact CD2-CB 4.15Å; F52-M83 HydrophobicContact CD2-CG 3.92Å; F52-M83 HydrophobicContact CD2-SD 3.31Å; F52-M83 WeakPolarHBondContact CD2-SD 3.29Å; F52-M83 HydrophobicContact CE1-CB 4.18Å; F52-M83 HydrophobicContact CE1-CG 4.17Å; F52-M83 HydrophobicContact CE2-CG 4.08Å; F52-M83 HydrophobicContact CE2-SD 3.61Å; F52-M83 HydrophobicContact CG-CB 3.59Å; F52-M83 HydrophobicContact CG-CG 3.88Å; F52-M83 HydrophobicContact CG-SD 3.79Å; F52-M83 HydrophobicContact CZ-CG 4.2Å; F52-M83 HydrophobicContact CZ-SD 4.32Å; S79-M83 WeakPolarHBondContact CA-O 3.5Å; Y80-M83 PolarHBondContact N-O 3.37Å; Y80-M83 WeakPolarHBondContact O-CB 3.45Å; Y80-M83 PolarHBondContact O-N 3.41Å; N81-M83 PolarHBondContact O-N 2.92Å; M83-V165 HydrophobicContact CB-CG1 3.88Å; M83-V165 HydrophobicContact CG-CG1 3.91Å; M83-Q169 HydrophobicContact CG-CG 4.09Å
84	P	98.2	Very high	98	Very high	32 Å²	32	34.9 Å²	34.9	21%	0.208	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.3	179	-22.8	36.6	0	0	0	113.1	D50 F52 L53	D50-P84 WeakPolarHBondContact O-CB 3.41Å; D50-P84 VanDerWaalsContact O-CG 3.25Å; D50-P84 WeakPolarHBondContact O-CG 3.33Å; F52-P84 WeakPolarHBondContact CB-O 3.21Å; F52-P84 PolarHBondContact N-O 2.94Å; F52-P84 VanDerWaalsContact N-O 3.08Å; L53-P84 PolarHBondContact N-O 3.04Å; L53-P84 VanDerWaalsContact N-O 3.15Å
85	I	98.6	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.1	173.7	-52.1	173.2	0	0	0	108.3	L53 L55 R78 V165	L53-I85 HydrophobicContact CB-CG1 4.36Å; L53-I85 WeakPolarHBondContact O-CA 3.39Å; L55-I85 HydrophobicContact CD1-CG2 3.74Å; L55-I85 HydrophobicContact CD2-CG2 4.1Å; L55-I85 HydrophobicContact CG-CG2 3.74Å; R78-I85 HydrophobicContact CG-CD1 4.48Å; R78-I85 PolarHBondContact N-O 2.74Å; R78-I85 WeakPolarHBondContact O-CB 3.21Å; R78-I85 PolarHBondContact O-N 3.31Å; I85-V165 HydrophobicContact CD1-CG2 3.87Å; I85-V165 HydrophobicContact CG1-CG2 4.16Å
86	R	98.4	Very high	97.5	Very high	83 Å²	83	42.8 Å²	42.8	31%	0.313	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.9	175.6	-67.7	-65.8	-176.8	-93.2	-0	110.3	V51 L53 L54 L55 E77	V51-R86 HydrophobicContact CG1-CB 4.06Å; V51-R86 HydrophobicContact CG1-CG 4.08Å; V51-R86 HydrophobicContact CG2-CG 3.98Å; L53-R86 PolarHBondContact O-N 2.89Å; L54-R86 HydrophobicContact CD1-CB 3.93Å; L55-R86 WeakPolarHBondContact CG-O 3.38Å; L55-R86 PolarHBondContact N-O 3.4Å; E77-R86 WeakPolarHBondContact OE2-CD 3.47Å
87	R	98.5	Very high	97.3	Very high	16 Å²	16	42.1 Å²	42.1	6%	0.06	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.4	-176.6	-177.3	-175.1	61.1	-111.2	-2.2	111.3	K41 L55 I57 G75 E77 F89 D116	K41-R87 WeakPolarHBondContact CE-O 3.42Å; K41-R87 PolarHBondContact NZ-O 3.29Å; L55-R87 HydrophobicContact CB-CB 4.42Å; L55-R87 HydrophobicContact CB-CG 4.4Å; L55-R87 CarbonylContact O-C 3.55Å; L55-R87 WeakPolarHBondContact O-CA 3.46Å; I57-R87 HydrophobicContact CD1-CG 3.66Å; G75-R87 WeakPolarHBondContact O-CD 3.18Å; G75-R87 PolarHBondContact O-NH1 2.86Å; E77-R87 HydrophobicContact CG-CB 3.94Å; E77-R87 PolarHBondContact OE1-N 3.14Å; R87-F89 HydrophobicContact CG-CE2 4.46Å; R87-F89 HydrophobicContact CG-CZ 4.48Å; R87-D116 IonicContact CZ-OD2 3.55Å; R87-D116 VanDerWaalsContact CZ-OD2 3.29Å; R87-D116 IonicContact NE-OD2 2.65Å; R87-D116 PolarHBondContact NE-OD2 3.08Å; R87-D116 VanDerWaalsContact NE-OD2 3.08Å; R87-D116 IonicContact NH2-OD2 3.76Å; R87-D116 PolarHBondContact NH2-OD2 3.44Å
88	I	98.8	Very high	97.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.8	169	-62.6	176.8	0	0	0	108.8	L38 K41 L54 L55 I57 I90 D116 L118 F136 W139	L38-I88 HydrophobicContact CD1-CD1 4.42Å; L38-I88 HydrophobicContact CD1-CG1 4.02Å; L38-I88 HydrophobicContact CD1-CG2 4.04Å; K41-I88 HydrophobicContact CD-CG1 4.4Å; K41-I88 HydrophobicContact CG-CD1 3.86Å; K41-I88 HydrophobicContact CG-CG1 3.78Å; L54-I88 HydrophobicContact CD1-CD1 3.9Å; L54-I88 HydrophobicContact CD1-CG1 4.01Å; L54-I88 HydrophobicContact CD2-CD1 4.26Å; L55-I88 PolarHBondContact O-N 3.13Å; I57-I88 PolarHBondContact N-O 3.43Å; I88-I90 HydrophobicContact CG2-CG2 3.94Å; I88-D116 CarbonylContact C-O 3.51Å; I88-D116 WeakPolarHBondContact CA-O 3.22Å; I88-L118 HydrophobicContact CD1-CD1 4.42Å; I88-L118 HydrophobicContact CG2-CB 4.32Å; I88-L118 HydrophobicContact CG2-CD1 3.69Å; I88-L118 HydrophobicContact CG2-CG 3.74Å; I88-F136 HydrophobicContact CD1-CE2 4.49Å; I88-W139 HydrophobicContact CD1-CE3 4.47Å; I88-W139 HydrophobicContact CD1-CH2 3.49Å; I88-W139 VanDerWaalsContact CD1-CH2 3.49Å; I88-W139 HydrophobicContact CD1-CZ3 3.46Å; I88-W139 VanDerWaalsContact CD1-CZ3 3.46Å
89	F	98.9	Very high	97.1	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.1	162.2	-63.3	-69.7	0	0	0	109.5	I57 R67 L70 R71 R87 D116 I117 L118	I57-F89 HydrophobicContact CB-CD1 3.68Å; I57-F89 HydrophobicContact CB-CE1 3.92Å; I57-F89 HydrophobicContact CD1-CD1 4.15Å; I57-F89 HydrophobicContact CD1-CE1 3.66Å; I57-F89 HydrophobicContact CD1-CZ 4.26Å; I57-F89 HydrophobicContact CG1-CE1 4.43Å; I57-F89 HydrophobicContact CG2-CD1 3.79Å; I57-F89 HydrophobicContact CG2-CE1 3.81Å; I57-F89 WeakPolarHBondContact O-CA 3.18Å; R67-F89 HydrophobicContact CB-CD1 4.45Å; R67-F89 HydrophobicContact CB-CD2 4.29Å; R67-F89 HydrophobicContact CB-CE1 4.01Å; R67-F89 HydrophobicContact CB-CE2 3.81Å; R67-F89 HydrophobicContact CB-CZ 3.66Å; R67-F89 HydrophobicContact CG-CD1 3.69Å; R67-F89 HydrophobicContact CG-CD2 4.08Å; R67-F89 HydrophobicContact CG-CE1 3.66Å; R67-F89 HydrophobicContact CG-CE2 4.03Å; R67-F89 HydrophobicContact CG-CG 3.9Å; R67-F89 HydrophobicContact CG-CZ 3.83Å; L70-F89 HydrophobicContact CB-CE1 4.37Å; L70-F89 HydrophobicContact CB-CZ 4.09Å; L70-F89 HydrophobicContact CD2-CE1 4.02Å; R71-F89 HydrophobicContact CG-CE2 4.36Å; R87-F89 HydrophobicContact CG-CE2 4.46Å; R87-F89 HydrophobicContact CG-CZ 4.48Å; F89-D116 WeakPolarHBondContact CE2-OD2 3.47Å; F89-D116 PolarHBondContact N-O 2.94Å; F89-I117 HydrophobicContact CB-CG1 4.22Å; F89-I117 HydrophobicContact CD2-CG1 4.46Å; F89-I117 WeakPolarHBondContact O-CA 3.27Å; F89-L118 PolarHBondContact O-N 3.41Å
90	I	98.8	Very high	97.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.9	176	56.7	174.2	0	0	0	109.7	V56 I57 K58 S59 I88 L118 W120 K132 Q133 F136	V56-I90 HydrophobicContact CG1-CD1 3.78Å; V56-I90 HydrophobicContact CG1-CG1 4.29Å; V56-I90 HydrophobicContact CG1-CG2 4.14Å; I57-I90 PolarHBondContact O-N 2.92Å; K58-I90 HydrophobicContact CG-CD1 3.89Å; K58-I90 HydrophobicContact CG-CG1 4.14Å; S59-I90 PolarHBondContact N-O 3.46Å; S59-I90 VanDerWaalsContact N-O 3.14Å; S59-I90 VanDerWaalsContact O-O 3.1Å; I88-I90 HydrophobicContact CG2-CG2 3.94Å; I90-L118 HydrophobicContact CG2-CB 4.31Å; I90-L118 HydrophobicContact CG2-CD1 4.35Å; I90-W120 HydrophobicContact CB-CZ3 4.23Å; I90-W120 HydrophobicContact CG2-CH2 4.45Å; I90-W120 HydrophobicContact CG2-CZ3 4.23Å; I90-K132 HydrophobicContact CB-CD 4.43Å; I90-K132 HydrophobicContact CB-CG 4.32Å; I90-K132 HydrophobicContact CD1-CD 4.15Å; I90-K132 HydrophobicContact CD1-CG 3.99Å; I90-K132 HydrophobicContact CG1-CD 3.94Å; I90-K132 HydrophobicContact CG1-CG 4.12Å; I90-Q133 VanDerWaalsContact CD1-OE1 3.3Å; I90-F136 HydrophobicContact CD1-CB 4.08Å; I90-F136 HydrophobicContact CD1-CG 4.42Å; I90-F136 HydrophobicContact CG2-CB 4.1Å; I90-F136 HydrophobicContact CG2-CD2 3.77Å; I90-F136 HydrophobicContact CG2-CG 4.17Å
91	S	98.7	Very high	97.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.3	-172.7	-170.8	0	0	0	0	112	P61 L118 Q119 W120	P61-S91 VanDerWaalsContact CD-OG 3.32Å; P61-S91 WeakPolarHBondContact CD-OG 3.42Å; P61-S91 WeakPolarHBondContact CG-OG 3.44Å; S91-L118 PolarHBondContact N-O 3.17Å; S91-Q119 WeakPolarHBondContact O-CA 3.07Å; S91-W120 PolarHBondContact O-N 3.22Å
92	G	98.3	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-149.2	160.6	0	0	0	0	0	111.1	P61 Q119 W120 F122 D124	P61-G92 WeakPolarHBondContact CG-O 3.36Å; G92-Q119 WeakPolarHBondContact O-CG 3.41Å; G92-Q119 PolarHBondContact O-NE2 2.73Å; G92-W120 CarbonylContact C-O 3.56Å; G92-W120 WeakPolarHBondContact CA-O 3.47Å; G92-F122 VanDerWaalsContact CA-CE1 3.48Å; G92-F122 WeakPolarHBondContact CA-O 3.25Å; G92-D124 PolarHBondContact N-OD2 2.92Å
93	V	98	Very high	97.2	Very high	8 Å²	8	53.5 Å²	53.5	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	151.6	168.8	-59.8	0	0	0	0	110	L35 K100 F122 D124	L35-V93 HydrophobicContact CD1-CG1 3.59Å; V93-K100 HydrophobicContact CB-CD 4.42Å; V93-K100 HydrophobicContact CB-CG 4.42Å; V93-K100 HydrophobicContact CG2-CD 4.35Å; V93-F122 WeakPolarHBondContact CG2-O 3.39Å; V93-F122 PolarHBondContact N-O 3.26Å; V93-D124 WeakPolarHBondContact O-CB 3.43Å; V93-D124 PolarHBondContact O-N 3.35Å
94	S	95.9	Very high	97.2	Very high	21 Å²	21	53.1 Å²	53.1	15%	0.147	26%	0.261	C	S	.	.			trans	-142.7	161.7	178.9	62.4	0	0	0	0	111.4	P61 K100 L103	P61-S94 WeakPolarHBondContact CD-OG 3.45Å; P61-S94 WeakPolarHBondContact CG-OG 3.3Å; S94-K100 WeakPolarHBondContact O-CA 3.33Å; S94-L103 VanDerWaalsContact OG-CD1 3.22Å; S94-L103 WeakPolarHBondContact OG-CD1 3.44Å
95	G	93.4	Very high	97.2	Very high	30 Å²	30	55.4 Å²	55.4	31%	0.309	27%	0.271	S	S	.	.	S	Bend	trans	77.7	173.8	-176.2	0	0	0	0	0	112.8	E99	G95-E99 WeakPolarHBondContact CA-OE2 3.41Å
96	D	91.8	Very high	97.2	Very high	136 Å²	136	58.3 Å²	58.3	73%	0.727	29%	0.286	S	S	*	.	S	Bend	trans	-117.7	148.8	-178.4	-66.8	-39.9	0	0	0	111.5	Y98 E99	D96-Y98 PolarHBondContact O-N 3.09Å; D96-E99 WeakPolarHBondContact O-CB 3.25Å; D96-E99 PolarHBondContact O-N 3.39Å
97	S	93.9	Very high	97.2	Very high	104 Å²	104	54.3 Å²	54.3	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	-112.5	175	-60.6	0	0	0	0	113.1	E99 K100 E101	S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 3.03Å; S97-K100 PolarHBondContact O-N 3.06Å; S97-E101 PolarHBondContact O-N 3.21Å
98	Y	96.1	Very high	97.3	Very high	169 Å²	169	59 Å²	59	66%	0.663	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-29.3	-178.5	-62.5	-63.7	0	0	0	114	D96 R102	D96-Y98 PolarHBondContact O-N 3.09Å; Y98-R102 VanDerWaalsContact O-CG 3.26Å; Y98-R102 WeakPolarHBondContact O-CG 3.48Å; Y98-R102 PolarHBondContact O-N 2.99Å
99	E	96.6	Very high	97.2	Very high	108 Å²	108	64.2 Å²	64.2	51%	0.505	32%	0.319	S	S	.	.	H	α-helix	trans	-69.3	-44.9	176.6	-171.9	-176.1	-171.7	0	0	110.6	G95 D96 S97 E101 R102 L103	G95-E99 WeakPolarHBondContact CA-OE2 3.41Å; D96-E99 WeakPolarHBondContact O-CB 3.25Å; D96-E99 PolarHBondContact O-N 3.39Å; S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 3.03Å; E99-E101 VanDerWaalsContact C-N 3.28Å; E99-E101 PolarHBondContact O-N 3.03Å; E99-R102 PolarHBondContact O-N 3.26Å; E99-L103 HydrophobicContact CG-CD1 4.03Å; E99-L103 HydrophobicContact CG-CG 4.42Å; E99-L103 WeakPolarHBondContact O-CG 3.39Å; E99-L103 PolarHBondContact O-N 3.03Å
100	K	97.1	Very high	97.2	Very high	65 Å²	65	64.3 Å²	64.3	28%	0.283	32%	0.319	S	S	.	.	H	α-helix	trans	-55.8	-45.3	174.1	-177.3	176.3	173.3	175.4	0	111.1	V93 S94 S97 L103 N104 D121	V93-K100 HydrophobicContact CB-CD 4.42Å; V93-K100 HydrophobicContact CB-CG 4.42Å; V93-K100 HydrophobicContact CG2-CD 4.35Å; S94-K100 WeakPolarHBondContact O-CA 3.33Å; S97-K100 PolarHBondContact O-N 3.06Å; K100-L103 PolarHBondContact O-N 2.94Å; K100-N104 WeakPolarHBondContact O-CB 3.37Å; K100-N104 VanDerWaalsContact O-CG 3.26Å; K100-N104 PolarHBondContact O-N 2.81Å; K100-N104 PolarHBondContact O-ND2 2.79Å; K100-D121 IonicContact NZ-OD1 2.88Å; K100-D121 PolarHBondContact NZ-OD1 3.31Å
101	E	97.6	Very high	97.2	Very high	108 Å²	108	65.4 Å²	65.4	51%	0.505	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-48	177.5	-170.9	-175	169.4	0	0	112	S97 E99 L103 N104 N105	S97-E101 PolarHBondContact O-N 3.21Å; E99-E101 VanDerWaalsContact C-N 3.28Å; E99-E101 PolarHBondContact O-N 3.03Å; E101-L103 PolarHBondContact O-N 3.4Å; E101-N104 PolarHBondContact O-N 3.38Å; E101-N105 WeakPolarHBondContact O-CB 3.35Å; E101-N105 VanDerWaalsContact O-CG 3.27Å; E101-N105 PolarHBondContact O-N 2.94Å; E101-N105 PolarHBondContact O-ND2 3.32Å
102	R	98	Very high	97.1	Very high	180 Å²	180	71 Å²	71	68%	0.679	35%	0.351	S	S	*	.	H	α-helix	trans	-60.8	-44.8	178.3	-73.3	171.6	-169.6	154.2	3.2	112.4	Y98 E99 N105 L106	Y98-R102 VanDerWaalsContact O-CG 3.26Å; Y98-R102 WeakPolarHBondContact O-CG 3.48Å; Y98-R102 PolarHBondContact O-N 2.99Å; E99-R102 PolarHBondContact O-N 3.26Å; R102-N105 PolarHBondContact O-N 3.2Å; R102-L106 WeakPolarHBondContact O-CB 2.83Å; R102-L106 PolarHBondContact O-N 3.08Å
103	L	98.3	Very high	97.1	Very high	21 Å²	21	77.5 Å²	77.5	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-69	-37.2	-179.5	-70.4	176.9	0	0	0	112.2	P61 A62 S94 E99 K100 E101 L106 L107	P61-L103 HydrophobicContact CB-CB 3.91Å; P61-L103 HydrophobicContact CB-CD1 4.37Å; A62-L103 HydrophobicContact CB-CD2 4.13Å; S94-L103 VanDerWaalsContact OG-CD1 3.22Å; S94-L103 WeakPolarHBondContact OG-CD1 3.44Å; E99-L103 HydrophobicContact CG-CD1 4.03Å; E99-L103 HydrophobicContact CG-CG 4.42Å; E99-L103 WeakPolarHBondContact O-CG 3.39Å; E99-L103 PolarHBondContact O-N 3.03Å; K100-L103 PolarHBondContact O-N 2.94Å; E101-L103 PolarHBondContact O-N 3.4Å; L103-L106 HydrophobicContact CD2-CD2 4.45Å; L103-L106 WeakPolarHBondContact O-CB 3.05Å; L103-L106 PolarHBondContact O-N 3.17Å; L103-L107 PolarHBondContact O-N 2.95Å
104	N	98.3	Very high	97.1	Very high	33 Å²	33	79.1 Å²	79.1	18%	0.176	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-40.9	172.8	-75.1	-14.6	0	0	0	111.9	K100 E101 L106 L107 K108 Q119	K100-N104 WeakPolarHBondContact O-CB 3.37Å; K100-N104 VanDerWaalsContact O-CG 3.26Å; K100-N104 PolarHBondContact O-N 2.81Å; K100-N104 PolarHBondContact O-ND2 2.79Å; E101-N104 PolarHBondContact O-N 3.38Å; N104-L106 VanDerWaalsContact C-N 3.34Å; N104-L107 PolarHBondContact O-N 2.99Å; N104-K108 WeakPolarHBondContact O-CB 3.33Å; N104-K108 PolarHBondContact O-N 2.81Å; N104-Q119 PolarHBondContact OD1-NE2 3.01Å
105	N	98.3	Very high	97.2	Very high	80 Å²	80	86.8 Å²	86.8	43%	0.428	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-39.4	174.7	-73.2	-23.4	0	0	0	111.8	E101 R102 K108 L109	E101-N105 WeakPolarHBondContact O-CB 3.35Å; E101-N105 VanDerWaalsContact O-CG 3.27Å; E101-N105 PolarHBondContact O-N 2.94Å; E101-N105 PolarHBondContact O-ND2 3.32Å; R102-N105 PolarHBondContact O-N 3.2Å; N105-K108 PolarHBondContact O-N 3.04Å; N105-L109 WeakPolarHBondContact O-CG 3.47Å; N105-L109 PolarHBondContact O-N 3.39Å
106	L	98.4	Very high	97.4	Very high	60 Å²	60	85.4 Å²	85.4	31%	0.314	40%	0.399	S	S	.	.	H	α-helix	trans	-58.9	-49.5	173.5	175.8	62.8	0	0	0	111.6	Y64 R102 L103 N104 K108 L109 E110	Y64-L106 HydrophobicContact CD2-CD1 4.13Å; R102-L106 WeakPolarHBondContact O-CB 2.83Å; R102-L106 PolarHBondContact O-N 3.08Å; L103-L106 HydrophobicContact CD2-CD2 4.45Å; L103-L106 WeakPolarHBondContact O-CB 3.05Å; L103-L106 PolarHBondContact O-N 3.17Å; N104-L106 VanDerWaalsContact C-N 3.34Å; L106-K108 VanDerWaalsContact C-N 3.3Å; L106-K108 PolarHBondContact O-N 3.06Å; L106-L109 PolarHBondContact O-N 2.86Å; L106-E110 WeakPolarHBondContact O-CB 3.35Å; L106-E110 PolarHBondContact O-N 2.94Å
107	L	98.6	Very high	97.8	Very high	0 Å²	0	79 Å²	79	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-63.8	-35	178.1	-74.5	178.2	0	0	0	112.6	L36 P61 L103 N104 E110 Q111 I117 Q119	L36-L107 HydrophobicContact CD1-CB 3.94Å; P61-L107 HydrophobicContact CB-CD1 3.72Å; P61-L107 HydrophobicContact CB-CG 4.25Å; P61-L107 HydrophobicContact CG-CD1 3.91Å; L103-L107 PolarHBondContact O-N 2.95Å; N104-L107 PolarHBondContact O-N 2.99Å; L107-E110 PolarHBondContact O-N 3.15Å; L107-Q111 WeakPolarHBondContact O-CB 3.49Å; L107-Q111 PolarHBondContact O-N 3.29Å; L107-I117 HydrophobicContact CD2-CD1 3.9Å; L107-I117 HydrophobicContact CD2-CG2 4.41Å; L107-Q119 HydrophobicContact CD1-CG 4.27Å
108	K	98.6	Very high	98	Very high	115 Å²	115	74 Å²	74	50%	0.5	33%	0.33	S	S	.	.	H	α-helix	trans	-62.9	-47.7	175.2	-175.6	-178.9	174.5	-175	0	111.5	N104 N105 L106 Q111 E112	N104-K108 WeakPolarHBondContact O-CB 3.33Å; N104-K108 PolarHBondContact O-N 2.81Å; N105-K108 PolarHBondContact O-N 3.04Å; L106-K108 VanDerWaalsContact C-N 3.3Å; L106-K108 PolarHBondContact O-N 3.06Å; K108-Q111 PolarHBondContact O-N 3.04Å; K108-E112 WeakPolarHBondContact O-CG 3.41Å; K108-E112 PolarHBondContact O-N 3.4Å
109	L	98.5	Very high	98.1	Very high	108 Å²	108	66.1 Å²	66.1	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-62.3	-43.5	176.2	-68.5	169.9	0	0	0	111.4	N105 L106 Q111 E112 E113	N105-L109 WeakPolarHBondContact O-CG 3.47Å; N105-L109 PolarHBondContact O-N 3.39Å; L106-L109 PolarHBondContact O-N 2.86Å; L109-Q111 VanDerWaalsContact C-N 3.29Å; L109-Q111 PolarHBondContact O-N 3.42Å; L109-E112 PolarHBondContact O-N 3.03Å; L109-E113 PolarHBondContact O-N 3.28Å
110	E	98.4	Very high	98.2	Very high	3 Å²	3	61.2 Å²	61.2	1%	0.014	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-38.2	176.3	-171.2	179.5	179.8	0	0	112	Y64 R67 R71 L106 L107 E113 H114 I117	Y64-E110 HydrophobicContact CD2-CB 4.43Å; Y64-E110 HydrophobicContact CD2-CG 4.08Å; Y64-E110 HydrophobicContact CE2-CB 4.26Å; Y64-E110 HydrophobicContact CE2-CG 3.87Å; R67-E110 IonicContact CZ-OE1 2.85Å; R67-E110 IonicContact CZ-OE2 2.97Å; R67-E110 VanDerWaalsContact CZ-OE2 3.23Å; R67-E110 VanDerWaalsContact NE-CD 3.29Å; R67-E110 IonicContact NE-OE1 3.73Å; R67-E110 PolarHBondContact NE-OE1 2.86Å; R67-E110 IonicContact NE-OE2 3.88Å; R67-E110 PolarHBondContact NE-OE2 2.91Å; R67-E110 IonicContact NH2-OE1 3.81Å; R67-E110 IonicContact NH2-OE2 3.78Å; R67-E110 PolarHBondContact NH2-OE2 3.38Å; R71-E110 IonicContact CZ-OE1 2.78Å; R71-E110 IonicContact NH1-OE1 3.7Å; R71-E110 PolarHBondContact NH1-OE1 2.85Å; R71-E110 IonicContact NH2-OE1 2.67Å; R71-E110 PolarHBondContact NH2-OE1 3.16Å; L106-E110 WeakPolarHBondContact O-CB 3.35Å; L106-E110 PolarHBondContact O-N 2.94Å; L107-E110 PolarHBondContact O-N 3.15Å; E110-E113 PolarHBondContact O-N 2.91Å; E110-H114 PolarHBondContact O-CD2 3.16Å; E110-H114 PolarHBondContact O-N 3.04Å; E110-I117 HydrophobicContact CB-CD1 3.91Å; E110-I117 HydrophobicContact CG-CD1 3.67Å
111	Q	98.1	Very high	98.2	Very high	24 Å²	24	60.8 Å²	60.8	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-69	-36.5	177.5	177.6	68	-5	0	0	112.4	L36 D37 L107 K108 L109 E113 R115 D116 I117	L36-Q111 HydrophobicContact CB-CG 4.49Å; L36-Q111 HydrophobicContact CD1-CB 4.04Å; L36-Q111 HydrophobicContact CD1-CG 4.35Å; L36-Q111 HydrophobicContact CD2-CB 4.43Å; L36-Q111 HydrophobicContact CD2-CG 4.25Å; D37-Q111 PolarHBondContact O-NE2 2.81Å; D37-Q111 VanDerWaalsContact O-NE2 3.16Å; L107-Q111 WeakPolarHBondContact O-CB 3.49Å; L107-Q111 PolarHBondContact O-N 3.29Å; K108-Q111 PolarHBondContact O-N 3.04Å; L109-Q111 VanDerWaalsContact C-N 3.29Å; L109-Q111 PolarHBondContact O-N 3.42Å; Q111-E113 VanDerWaalsContact C-N 3.25Å; Q111-E113 PolarHBondContact O-N 3.18Å; Q111-R115 WeakPolarHBondContact O-CA 3.32Å; Q111-R115 VanDerWaalsContact O-CG 3.31Å; Q111-R115 WeakPolarHBondContact O-CG 3.27Å; Q111-R115 PolarHBondContact O-N 3.5Å; Q111-D116 VanDerWaalsContact OE1-N 3.1Å; Q111-I117 HydrophobicContact CB-CD1 4.5Å; Q111-I117 PolarHBondContact NE2-O 3.01Å; Q111-I117 PolarHBondContact OE1-O 2.71Å
112	E	97.9	Very high	98.2	Very high	118 Å²	118	55.9 Å²	55.9	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-60	-38.3	174.5	-74.1	170	-170	0	0	111.3	K108 L109	K108-E112 WeakPolarHBondContact O-CG 3.41Å; K108-E112 PolarHBondContact O-N 3.4Å; L109-E112 PolarHBondContact O-N 3.03Å
113	E	97.4	Very high	98.1	Very high	136 Å²	136	50.6 Å²	50.6	64%	0.636	25%	0.245	S	C	*	.	H	α-helix	trans	-78.9	-49.1	179	-171.6	178.1	167.6	0	0	113	L109 E110 Q111	L109-E113 PolarHBondContact O-N 3.28Å; E110-E113 PolarHBondContact O-N 2.91Å; Q111-E113 VanDerWaalsContact C-N 3.25Å; Q111-E113 PolarHBondContact O-N 3.18Å
114	H	98.1	Very high	98.1	Very high	43 Å²	43	50.8 Å²	50.8	20%	0.199	25%	0.246	C	C	.	.	H	α-helix	trans	-107.7	-20.4	-165.6	-57.6	-59.1	0	0	0	115.1	E68 R71 E110 D116	E68-H114 IonicContact OE2-CE1 2.66Å; E68-H114 IonicContact OE2-NE2 3.61Å; R71-H114 PolarHBondContact NE-CD2 3.47Å; R71-H114 VanDerWaalsContact NE-CG 3.29Å; R71-H114 PolarHBondContact NH1-CD2 2.86Å; R71-H114 VanDerWaalsContact NH1-CD2 3.29Å; R71-H114 PolarHBondContact NH1-NE2 3.09Å; E110-H114 PolarHBondContact O-CD2 3.16Å; E110-H114 PolarHBondContact O-N 3.04Å; H114-D116 VanDerWaalsContact C-N 3.29Å; H114-D116 WeakPolarHBondContact CB-OD1 3.34Å; H114-D116 PolarHBondContact O-N 2.85Å
115	R	97.6	Very high	98	Very high	182 Å²	182	52 Å²	52	69%	0.687	25%	0.254	S	S	*	.			trans	46.4	51.2	179.5	-57.5	-178.7	-176.8	-172.8	-0.5	112.7	L38 K41 Q111	L38-R115 HydrophobicContact CD2-CB 4.46Å; L38-R115 WeakPolarHBondContact CD2-O 3.38Å; K41-R115 WeakPolarHBondContact CE-O 3.1Å; K41-R115 PolarHBondContact NZ-O 3.08Å; Q111-R115 WeakPolarHBondContact O-CA 3.32Å; Q111-R115 VanDerWaalsContact O-CG 3.31Å; Q111-R115 WeakPolarHBondContact O-CG 3.27Å; Q111-R115 PolarHBondContact O-N 3.5Å
116	D	98.4	Very high	97.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.244	C	C	.	.			trans	-139.4	15.9	-175.8	69.2	-3.4	0	0	0	114.7	R71 R87 I88 F89 Q111 H114	R71-D116 IonicContact CZ-OD1 2.69Å; R71-D116 IonicContact CZ-OD2 2.8Å; R71-D116 IonicContact NE-OD1 3.29Å; R71-D116 IonicContact NE-OD2 2.69Å; R71-D116 PolarHBondContact NE-OD2 3.46Å; R71-D116 IonicContact NH2-OD1 3.23Å; R71-D116 PolarHBondContact NH2-OD1 3.27Å; R71-D116 IonicContact NH2-OD2 2.7Å; R87-D116 IonicContact CZ-OD2 3.55Å; R87-D116 VanDerWaalsContact CZ-OD2 3.29Å; R87-D116 IonicContact NE-OD2 2.65Å; R87-D116 PolarHBondContact NE-OD2 3.08Å; R87-D116 VanDerWaalsContact NE-OD2 3.08Å; R87-D116 IonicContact NH2-OD2 3.76Å; R87-D116 PolarHBondContact NH2-OD2 3.44Å; I88-D116 CarbonylContact C-O 3.51Å; I88-D116 WeakPolarHBondContact CA-O 3.22Å; F89-D116 WeakPolarHBondContact CE2-OD2 3.47Å; F89-D116 PolarHBondContact N-O 2.94Å; Q111-D116 VanDerWaalsContact OE1-N 3.1Å; H114-D116 VanDerWaalsContact C-N 3.29Å; H114-D116 WeakPolarHBondContact CB-OD1 3.34Å; H114-D116 PolarHBondContact O-N 2.85Å
117	I	98.9	Very high	97.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.2	178.6	-61.8	156.2	0	0	0	110.7	L36 F89 L107 E110 Q111 Q119	L36-I117 HydrophobicContact CD1-CG2 4.02Å; F89-I117 HydrophobicContact CB-CG1 4.22Å; F89-I117 HydrophobicContact CD2-CG1 4.46Å; F89-I117 WeakPolarHBondContact O-CA 3.27Å; L107-I117 HydrophobicContact CD2-CD1 3.9Å; L107-I117 HydrophobicContact CD2-CG2 4.41Å; E110-I117 HydrophobicContact CB-CD1 3.91Å; E110-I117 HydrophobicContact CG-CD1 3.67Å; Q111-I117 HydrophobicContact CB-CD1 4.5Å; Q111-I117 PolarHBondContact NE2-O 3.01Å; Q111-I117 PolarHBondContact OE1-O 2.71Å; I117-Q119 HydrophobicContact CG2-CB 4.4Å
118	L	98.8	Very high	97.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131	159	-65.3	175.1	0	0	0	109.1	L38 I88 F89 I90 S91 W120 F136 W139	L38-L118 HydrophobicContact CB-CD2 3.77Å; L38-L118 HydrophobicContact CD1-CD2 3.94Å; L38-L118 HydrophobicContact CD1-CG 3.88Å; L38-L118 HydrophobicContact CG-CD2 3.75Å; L38-L118 HydrophobicContact CG-CG 4.25Å; I88-L118 HydrophobicContact CD1-CD1 4.42Å; I88-L118 HydrophobicContact CG2-CB 4.32Å; I88-L118 HydrophobicContact CG2-CD1 3.69Å; I88-L118 HydrophobicContact CG2-CG 3.74Å; F89-L118 PolarHBondContact O-N 3.41Å; I90-L118 HydrophobicContact CG2-CB 4.31Å; I90-L118 HydrophobicContact CG2-CD1 4.35Å; S91-L118 PolarHBondContact N-O 3.17Å; L118-W120 HydrophobicContact CB-CE3 4.44Å; L118-W120 HydrophobicContact CB-CH2 3.51Å; L118-W120 HydrophobicContact CB-CZ2 4.33Å; L118-W120 HydrophobicContact CB-CZ3 3.56Å; L118-W120 HydrophobicContact CD1-CH2 3.75Å; L118-W120 HydrophobicContact CD1-CZ2 4.41Å; L118-W120 HydrophobicContact CG-CH2 4.21Å; L118-F136 HydrophobicContact CD1-CD2 4.21Å; L118-W139 HydrophobicContact CD1-CD2 3.41Å; L118-W139 VanDerWaalsContact CD1-CD2 3.41Å; L118-W139 HydrophobicContact CD1-CE3 3.58Å; L118-W139 HydrophobicContact CD1-CG 3.83Å; L118-W139 HydrophobicContact CD1-CH2 4.32Å; L118-W139 HydrophobicContact CD1-CZ2 4.17Å; L118-W139 HydrophobicContact CD1-CZ3 4.04Å; L118-W139 HydrophobicContact CD2-CD2 4.17Å; L118-W139 HydrophobicContact CD2-CG 4.37Å; L118-W139 HydrophobicContact CD2-CZ2 4.07Å; L118-W139 HydrophobicContact CG-CD2 4.45Å
119	Q	98.8	Very high	97.7	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.9	180	-165.9	-172.7	13.7	0	0	111.5	L35 L36 S91 G92 N104 L107 I117	L35-Q119 HydrophobicContact CB-CB 4.24Å; L35-Q119 HydrophobicContact CB-CG 4.27Å; L35-Q119 HydrophobicContact CD1-CG 4.27Å; L35-Q119 PolarHBondContact N-O 2.78Å; L36-Q119 HydrophobicContact CB-CB 3.84Å; L36-Q119 HydrophobicContact CD1-CB 3.98Å; L36-Q119 HydrophobicContact CG-CB 3.93Å; L36-Q119 PolarHBondContact N-O 2.95Å; L36-Q119 PolarHBondContact O-N 3.27Å; S91-Q119 WeakPolarHBondContact O-CA 3.07Å; G92-Q119 WeakPolarHBondContact O-CG 3.41Å; G92-Q119 PolarHBondContact O-NE2 2.73Å; N104-Q119 PolarHBondContact OD1-NE2 3.01Å; L107-Q119 HydrophobicContact CD1-CG 4.27Å; I117-Q119 HydrophobicContact CG2-CB 4.4Å
120	W	98.7	Very high	97.6	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	153	172.9	-63.6	-97.7	0	0	0	111.4	F32 P33 M34 I90 S91 G92 L118 F122 L135 F136 W139	F32-W120 HydrophobicContact CB-CB 4.38Å; P33-W120 CarbonylContact O-C 3.58Å; P33-W120 VanDerWaalsContact O-CA 3.28Å; P33-W120 WeakPolarHBondContact O-CA 3.3Å; M34-W120 HydrophobicContact CE-CZ2 3.87Å; M34-W120 VanDerWaalsContact CE-NE1 3.3Å; I90-W120 HydrophobicContact CB-CZ3 4.23Å; I90-W120 HydrophobicContact CG2-CH2 4.45Å; I90-W120 HydrophobicContact CG2-CZ3 4.23Å; S91-W120 PolarHBondContact O-N 3.22Å; G92-W120 CarbonylContact C-O 3.56Å; G92-W120 WeakPolarHBondContact CA-O 3.47Å; L118-W120 HydrophobicContact CB-CE3 4.44Å; L118-W120 HydrophobicContact CB-CH2 3.51Å; L118-W120 HydrophobicContact CB-CZ2 4.33Å; L118-W120 HydrophobicContact CB-CZ3 3.56Å; L118-W120 HydrophobicContact CD1-CH2 3.75Å; L118-W120 HydrophobicContact CD1-CZ2 4.41Å; L118-W120 HydrophobicContact CG-CH2 4.21Å; W120-F122 HydrophobicContact CB-CD1 3.74Å; W120-F122 HydrophobicContact CB-CE1 4.07Å; W120-F122 PolarHBondContact O-N 2.96Å; W120-L135 HydrophobicContact CB-CD1 3.95Å; W120-L135 HydrophobicContact CD2-CB 3.97Å; W120-L135 HydrophobicContact CD2-CD1 4.21Å; W120-L135 HydrophobicContact CE3-CB 4.37Å; W120-L135 HydrophobicContact CG-CB 4.35Å; W120-L135 HydrophobicContact CG-CD1 3.88Å; W120-L135 HydrophobicContact CG-CD2 4.5Å; W120-L135 HydrophobicContact CG-CG 4.49Å; W120-L135 HydrophobicContact CH2-CB 4.46Å; W120-L135 HydrophobicContact CZ2-CB 4.07Å; W120-L135 WeakPolarHBondContact CZ2-O 3.42Å; W120-F136 HydrophobicContact CH2-CB 4.36Å; W120-W139 HydrophobicContact CZ2-CB 3.93Å; W120-W139 HydrophobicContact CZ2-CG 4.45Å
121	D	97.4	Very high	97.6	Very high	57 Å²	57	40.5 Å²	40.5	31%	0.305	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	62.1	179.8	-168.9	28.4	0	0	0	112.3	F32 P33 L35 K100	F32-D121 WeakPolarHBondContact CD1-O 3.43Å; P33-D121 HydrophobicContact CB-CB 4.43Å; P33-D121 PolarHBondContact O-N 2.97Å; L35-D121 HydrophobicContact CD1-CB 3.97Å; L35-D121 HydrophobicContact CD2-CB 4.11Å; L35-D121 HydrophobicContact CG-CB 4.06Å; K100-D121 IonicContact NZ-OD1 2.88Å; K100-D121 PolarHBondContact NZ-OD1 3.31Å
122	F	97.1	Very high	97.7	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.022	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.4	168.2	77.4	-82.4	0	0	0	110.2	F32 G92 V93 W120 D124 N128 L131 K132 L135	F32-F122 HydrophobicContact CB-CB 4.42Å; F32-F122 HydrophobicContact CD1-CB 3.65Å; F32-F122 HydrophobicContact CD2-CB 4.11Å; F32-F122 HydrophobicContact CE1-CB 3.81Å; F32-F122 HydrophobicContact CE2-CB 4.3Å; F32-F122 HydrophobicContact CG-CB 3.79Å; F32-F122 HydrophobicContact CZ-CB 4.13Å; G92-F122 VanDerWaalsContact CA-CE1 3.48Å; G92-F122 WeakPolarHBondContact CA-O 3.25Å; V93-F122 WeakPolarHBondContact CG2-O 3.39Å; V93-F122 PolarHBondContact N-O 3.26Å; W120-F122 HydrophobicContact CB-CD1 3.74Å; W120-F122 HydrophobicContact CB-CE1 4.07Å; W120-F122 PolarHBondContact O-N 2.96Å; F122-D124 PolarHBondContact O-N 3.01Å; F122-N128 HydrophobicContact CD2-CB 3.92Å; F122-N128 HydrophobicContact CE2-CB 3.87Å; F122-L131 HydrophobicContact CB-CD2 3.91Å; F122-L131 HydrophobicContact CD2-CD2 3.77Å; F122-L131 HydrophobicContact CD2-CG 4.42Å; F122-L131 HydrophobicContact CG-CD2 3.82Å; F122-L131 HydrophobicContact CG-CG 4.48Å; F122-K132 HydrophobicContact CE1-CB 4.42Å; F122-K132 HydrophobicContact CE1-CG 4.43Å; F122-K132 HydrophobicContact CE2-CB 4.23Å; F122-K132 HydrophobicContact CZ-CB 3.59Å; F122-K132 HydrophobicContact CZ-CD 4.42Å; F122-K132 HydrophobicContact CZ-CG 3.8Å; F122-L135 HydrophobicContact CD1-CD1 3.64Å; F122-L135 HydrophobicContact CE1-CD1 3.84Å; F122-L135 HydrophobicContact CG-CD1 4.41Å
123	S	96.4	Very high	97.7	Very high	69 Å²	69	33.9 Å²	33.9	48%	0.483	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	117.5	179	-174.4	0	0	0	0	111.2	T125 N128	S123-T125 PolarHBondContact O-N 3.1Å; S123-T125 WeakPolarHBondContact OG-CG2 3.48Å; S123-N128 WeakPolarHBondContact O-CB 3.3Å; S123-N128 PolarHBondContact O-ND2 3Å
124	D	97.1	Very high	97.7	Very high	24 Å²	24	27.6 Å²	27.6	13%	0.128	14%	0.135	C	C	.	.			trans	-80.3	81.6	-175.2	-158.8	-21.5	0	0	0	111.1	G92 V93 F122 K132	G92-D124 PolarHBondContact N-OD2 2.92Å; V93-D124 WeakPolarHBondContact O-CB 3.43Å; V93-D124 PolarHBondContact O-N 3.35Å; F122-D124 PolarHBondContact O-N 3.01Å; D124-K132 VanDerWaalsContact CG-CE 3.47Å; D124-K132 WeakPolarHBondContact OD1-CE 3.48Å; D124-K132 IonicContact OD1-NZ 3.88Å; D124-K132 PolarHBondContact OD1-NZ 3.23Å; D124-K132 VanDerWaalsContact OD2-CE 3.22Å; D124-K132 WeakPolarHBondContact OD2-CE 3.45Å; D124-K132 IonicContact OD2-NZ 3.29Å; D124-K132 PolarHBondContact OD2-NZ 3.02Å
125	T	95.8	Very high	97.8	Very high	58 Å²	58	25.6 Å²	25.6	36%	0.356	13%	0.126	S	C	.	.			trans	-115.5	163.7	179.6	71.8	0	0	0	0	111.1	S123 Y127 N128 L129	S123-T125 PolarHBondContact O-N 3.1Å; S123-T125 WeakPolarHBondContact OG-CG2 3.48Å; T125-Y127 VanDerWaalsContact C-N 3.27Å; T125-Y127 PolarHBondContact O-N 3.25Å; T125-N128 PolarHBondContact O-N 3.49Å; T125-N128 PolarHBondContact OG1-N 2.91Å; T125-N128 PolarHBondContact OG1-ND2 3.47Å; T125-L129 PolarHBondContact O-N 3.18Å
126	F	95.4	Very high	97.8	Very high	51 Å²	51	17 Å²	17	22%	0.224	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-55.6	-40.1	176.6	-179.5	-108.2	0	0	0	112.8	N128 L129 K198 Y199 I242	F126-N128 VanDerWaalsContact C-N 3.26Å; F126-N128 PolarHBondContact O-N 3.31Å; F126-L129 HydrophobicContact CD2-CD1 3.61Å; F126-L129 HydrophobicContact CE2-CD1 3.89Å; F126-L129 WeakPolarHBondContact O-CB 3.49Å; F126-L129 VanDerWaalsContact O-CG 3.29Å; F126-L129 WeakPolarHBondContact O-CG 3.49Å; F126-L129 PolarHBondContact O-N 3Å; F126-K198 HydrophobicContact CD1-CG 3.93Å; F126-K198 HydrophobicContact CE1-CG 3.92Å; F126-K198 VanDerWaalsContact CE1-O 3.29Å; F126-K198 WeakPolarHBondContact CE1-O 3.47Å; F126-K198 HydrophobicContact CE2-CD 4.48Å; F126-K198 VanDerWaalsContact CG-CE 3.47Å; F126-K198 HydrophobicContact CG-CG 4.35Å; F126-K198 HydrophobicContact CZ-CG 4.3Å; F126-Y199 HydrophobicContact CE1-CD1 4.15Å; F126-Y199 HydrophobicContact CE1-CE1 4.43Å; F126-Y199 HydrophobicContact CE2-CE1 4.31Å; F126-Y199 AromaticContact CZ-CD1 3.69Å; F126-Y199 HydrophobicContact CZ-CD1 3.69Å; F126-Y199 AromaticContact CZ-CE1 3.59Å; F126-Y199 HydrophobicContact CZ-CE1 3.59Å; F126-I242 HydrophobicContact CE1-CD1 3.89Å; F126-I242 HydrophobicContact CZ-CD1 4.25Å
127	Y	96.4	Very high	97.8	Very high	17 Å²	17	17.3 Å²	17.3	7%	0.067	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-76.3	-13.1	179.5	-72.2	0.3	0	0	0	114	N19 I20 F23 T125 F200 P241	N19-Y127 HydrophobicContact CB-CD2 4.4Å; N19-Y127 HydrophobicContact CB-CE2 4.3Å; N19-Y127 WeakPolarHBondContact ND2-CE2 3.2Å; N19-Y127 PolarHBondContact ND2-OH 3.11Å; I20-Y127 HydrophobicContact CD1-CD2 4.17Å; I20-Y127 HydrophobicContact CD1-CE2 3.31Å; I20-Y127 HydrophobicContact CG1-CE2 3.98Å; F23-Y127 HydrophobicContact CB-CD2 4.42Å; T125-Y127 VanDerWaalsContact C-N 3.27Å; T125-Y127 PolarHBondContact O-N 3.25Å; Y127-F200 PolarHBondContact OH-O 2.87Å; Y127-P241 HydrophobicContact CD1-CB 3.75Å; Y127-P241 HydrophobicContact CD2-CB 4.09Å; Y127-P241 HydrophobicContact CE1-CB 4.37Å; Y127-P241 HydrophobicContact CG-CB 3.6Å
128	N	97.8	Very high	97.8	Very high	27 Å²	27	19 Å²	19	14%	0.144	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-96.8	5.2	174.5	-71.9	-23.8	0	0	0	113.1	F122 S123 T125 F126 T130 L131 K132	F122-N128 HydrophobicContact CD2-CB 3.92Å; F122-N128 HydrophobicContact CE2-CB 3.87Å; S123-N128 WeakPolarHBondContact O-CB 3.3Å; S123-N128 PolarHBondContact O-ND2 3Å; T125-N128 PolarHBondContact O-N 3.49Å; T125-N128 PolarHBondContact OG1-N 2.91Å; T125-N128 PolarHBondContact OG1-ND2 3.47Å; F126-N128 VanDerWaalsContact C-N 3.26Å; F126-N128 PolarHBondContact O-N 3.31Å; N128-T130 PolarHBondContact O-N 3.45Å; N128-L131 WeakPolarHBondContact O-CB 3.38Å; N128-L131 PolarHBondContact O-N 2.86Å; N128-L131 VanDerWaalsContact O-N 3.09Å; N128-K132 PolarHBondContact O-N 2.96Å
129	L	97.8	Very high	97.7	Very high	24 Å²	24	19 Å²	19	13%	0.126	10%	0.104	C	C	.	.	H	α-helix	trans	-58.1	-38.2	174.5	-70.7	178.8	0	0	0	111.8	K58 T125 F126 L131 K132 Q133 D243	K58-L129 HydrophobicContact CD-CD2 4.24Å; T125-L129 PolarHBondContact O-N 3.18Å; F126-L129 HydrophobicContact CD2-CD1 3.61Å; F126-L129 HydrophobicContact CE2-CD1 3.89Å; F126-L129 WeakPolarHBondContact O-CB 3.49Å; F126-L129 VanDerWaalsContact O-CG 3.29Å; F126-L129 WeakPolarHBondContact O-CG 3.49Å; F126-L129 PolarHBondContact O-N 3Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L129-L131 PolarHBondContact O-N 3.31Å; L129-K132 HydrophobicContact CD2-CD 4.48Å; L129-K132 WeakPolarHBondContact O-CB 3.5Å; L129-K132 PolarHBondContact O-N 3.48Å; L129-Q133 VanDerWaalsContact O-CG 3.27Å; L129-Q133 WeakPolarHBondContact O-CG 3.4Å; L129-Q133 PolarHBondContact O-N 2.91Å; L129-D243 HydrophobicContact CB-CB 3.83Å
130	T	98.3	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.7	-43.6	175.5	-55.5	0	0	0	0	112	N128 Q133 I134 I239 L240 D243 Y246	N128-T130 PolarHBondContact O-N 3.45Å; T130-Q133 PolarHBondContact O-N 3.29Å; T130-I134 HydrophobicContact CG2-CD1 4.01Å; T130-I134 VanDerWaalsContact O-CG1 3.32Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.09Å; T130-I239 HydrophobicContact CG2-CG2 3.8Å; T130-L240 VanDerWaalsContact CB-O 3.26Å; T130-L240 WeakPolarHBondContact CB-O 3.47Å; T130-L240 PolarHBondContact OG1-O 3.28Å; T130-D243 WeakPolarHBondContact OG1-CA 3.09Å; T130-D243 PolarHBondContact OG1-N 3.21Å; T130-Y246 HydrophobicContact CG2-CD1 3.31Å; T130-Y246 HydrophobicContact CG2-CD2 3.84Å; T130-Y246 HydrophobicContact CG2-CE1 3.8Å; T130-Y246 HydrophobicContact CG2-CE2 4.28Å; T130-Y246 HydrophobicContact CG2-CG 3.3Å
131	L	98.4	Very high	97.6	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-45.1	175.8	171.8	64.7	0	0	0	110.8	F32 F122 N128 L129 Q133 I134 L135	F32-L131 HydrophobicContact CD2-CD1 4.01Å; F32-L131 HydrophobicContact CD2-CD2 3.83Å; F32-L131 HydrophobicContact CD2-CG 4.37Å; F32-L131 HydrophobicContact CE2-CD1 3.83Å; F32-L131 HydrophobicContact CE2-CD2 3.3Å; F32-L131 HydrophobicContact CE2-CG 4.14Å; F32-L131 HydrophobicContact CZ-CD2 3.88Å; F122-L131 HydrophobicContact CB-CD2 3.91Å; F122-L131 HydrophobicContact CD2-CD2 3.77Å; F122-L131 HydrophobicContact CD2-CG 4.42Å; F122-L131 HydrophobicContact CG-CD2 3.82Å; F122-L131 HydrophobicContact CG-CG 4.48Å; N128-L131 WeakPolarHBondContact O-CB 3.38Å; N128-L131 PolarHBondContact O-N 2.86Å; N128-L131 VanDerWaalsContact O-N 3.09Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L129-L131 PolarHBondContact O-N 3.31Å; L131-Q133 PolarHBondContact O-N 3.39Å; L131-I134 PolarHBondContact O-N 3.35Å; L131-I134 VanDerWaalsContact O-N 3.14Å; L131-L135 HydrophobicContact CD1-CD1 4Å; L131-L135 HydrophobicContact CD1-CG 4.02Å; L131-L135 HydrophobicContact CG-CD1 3.9Å; L131-L135 HydrophobicContact CG-CG 4.37Å; L131-L135 WeakPolarHBondContact O-CG 3.42Å; L131-L135 PolarHBondContact O-N 3.34Å
132	K	98.7	Very high	97.5	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.013	13%	0.128	C	C	.	.	H	α-helix	trans	-52.9	-44	175.8	-169.3	-176.3	-73.4	-170.4	0	111.6	K58 S59 I90 F122 D124 N128 L129 F136	K58-K132 HydrophobicContact CG-CD 4.27Å; S59-K132 PolarHBondContact O-NZ 3.48Å; I90-K132 HydrophobicContact CB-CD 4.43Å; I90-K132 HydrophobicContact CB-CG 4.32Å; I90-K132 HydrophobicContact CD1-CD 4.15Å; I90-K132 HydrophobicContact CD1-CG 3.99Å; I90-K132 HydrophobicContact CG1-CD 3.94Å; I90-K132 HydrophobicContact CG1-CG 4.12Å; F122-K132 HydrophobicContact CE1-CB 4.42Å; F122-K132 HydrophobicContact CE1-CG 4.43Å; F122-K132 HydrophobicContact CE2-CB 4.23Å; F122-K132 HydrophobicContact CZ-CB 3.59Å; F122-K132 HydrophobicContact CZ-CD 4.42Å; F122-K132 HydrophobicContact CZ-CG 3.8Å; D124-K132 VanDerWaalsContact CG-CE 3.47Å; D124-K132 WeakPolarHBondContact OD1-CE 3.48Å; D124-K132 IonicContact OD1-NZ 3.88Å; D124-K132 PolarHBondContact OD1-NZ 3.23Å; D124-K132 VanDerWaalsContact OD2-CE 3.22Å; D124-K132 WeakPolarHBondContact OD2-CE 3.45Å; D124-K132 IonicContact OD2-NZ 3.29Å; D124-K132 PolarHBondContact OD2-NZ 3.02Å; N128-K132 PolarHBondContact O-N 2.96Å; L129-K132 HydrophobicContact CD2-CD 4.48Å; L129-K132 WeakPolarHBondContact O-CB 3.5Å; L129-K132 PolarHBondContact O-N 3.48Å; K132-F136 PolarHBondContact O-N 2.84Å
133	Q	98.1	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.8	-40.7	179	-60.9	-73.1	41	0	0	112.7	I90 L129 T130 L131 L135 F136 L137 N152 D243 M247	I90-Q133 VanDerWaalsContact CD1-OE1 3.3Å; L129-Q133 VanDerWaalsContact O-CG 3.27Å; L129-Q133 WeakPolarHBondContact O-CG 3.4Å; L129-Q133 PolarHBondContact O-N 2.91Å; T130-Q133 PolarHBondContact O-N 3.29Å; L131-Q133 PolarHBondContact O-N 3.39Å; Q133-L135 VanDerWaalsContact C-N 3.35Å; Q133-F136 PolarHBondContact O-N 3.29Å; Q133-L137 WeakPolarHBondContact O-CB 3.29Å; Q133-L137 VanDerWaalsContact O-CG 3.26Å; Q133-L137 WeakPolarHBondContact O-CG 3.48Å; Q133-L137 PolarHBondContact O-N 3.35Å; Q133-N152 VanDerWaalsContact CD-ND2 3.26Å; Q133-N152 PolarHBondContact NE2-ND2 3.29Å; Q133-N152 PolarHBondContact NE2-OD1 3.22Å; Q133-N152 PolarHBondContact OE1-ND2 3.3Å; Q133-N152 VanDerWaalsContact OE1-ND2 3.08Å; Q133-D243 HydrophobicContact CG-CB 4.41Å; Q133-M247 HydrophobicContact CB-CE 3.57Å; Q133-M247 HydrophobicContact CG-CE 4.03Å
134	I	98.4	Very high	97.5	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-44.2	177.1	-68.1	163.7	0	0	0	110.6	T130 L131 F136 L137 E138 I239 Y246	T130-I134 HydrophobicContact CG2-CD1 4.01Å; T130-I134 VanDerWaalsContact O-CG1 3.32Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.09Å; L131-I134 PolarHBondContact O-N 3.35Å; L131-I134 VanDerWaalsContact O-N 3.14Å; I134-F136 VanDerWaalsContact C-N 3.35Å; I134-L137 PolarHBondContact O-N 3.27Å; I134-E138 PolarHBondContact O-N 3.14Å; I134-I239 HydrophobicContact CD1-CD1 3.99Å; I134-I239 HydrophobicContact CD1-CG1 3.93Å; I134-Y246 HydrophobicContact CD1-CE1 3.7Å; I134-Y246 HydrophobicContact CG1-CE1 4.04Å
135	L	98.6	Very high	97.4	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-42.2	177.2	-71.6	169.8	0	0	0	111.7	R30 F32 W120 F122 L131 Q133 E138 W139	R30-L135 VanDerWaalsContact O-CD2 3.25Å; R30-L135 WeakPolarHBondContact O-CD2 3.22Å; F32-L135 HydrophobicContact CB-CD1 4.45Å; F32-L135 HydrophobicContact CD2-CD1 4.3Å; W120-L135 HydrophobicContact CB-CD1 3.95Å; W120-L135 HydrophobicContact CD2-CB 3.97Å; W120-L135 HydrophobicContact CD2-CD1 4.21Å; W120-L135 HydrophobicContact CE3-CB 4.37Å; W120-L135 HydrophobicContact CG-CB 4.35Å; W120-L135 HydrophobicContact CG-CD1 3.88Å; W120-L135 HydrophobicContact CG-CD2 4.5Å; W120-L135 HydrophobicContact CG-CG 4.49Å; W120-L135 HydrophobicContact CH2-CB 4.46Å; W120-L135 HydrophobicContact CZ2-CB 4.07Å; W120-L135 WeakPolarHBondContact CZ2-O 3.42Å; F122-L135 HydrophobicContact CD1-CD1 3.64Å; F122-L135 HydrophobicContact CE1-CD1 3.84Å; F122-L135 HydrophobicContact CG-CD1 4.41Å; L131-L135 HydrophobicContact CD1-CD1 4Å; L131-L135 HydrophobicContact CD1-CG 4.02Å; L131-L135 HydrophobicContact CG-CD1 3.9Å; L131-L135 HydrophobicContact CG-CG 4.37Å; L131-L135 WeakPolarHBondContact O-CG 3.42Å; L131-L135 PolarHBondContact O-N 3.34Å; Q133-L135 VanDerWaalsContact C-N 3.35Å; L135-E138 PolarHBondContact O-N 3.08Å; L135-W139 PolarHBondContact O-N 3.04Å
136	F	98.7	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.8	-46.8	172.1	166.1	-101	0	0	0	112	L54 V56 I88 I90 L118 W120 K132 Q133 I134 E138 W139 M140 L150	L54-F136 HydrophobicContact CD2-CE2 4.44Å; L54-F136 HydrophobicContact CD2-CZ 4.09Å; V56-F136 HydrophobicContact CB-CE1 4.3Å; V56-F136 HydrophobicContact CB-CE2 4.42Å; V56-F136 HydrophobicContact CB-CZ 4.14Å; V56-F136 HydrophobicContact CG1-CD1 3.81Å; V56-F136 HydrophobicContact CG1-CD2 3.8Å; V56-F136 HydrophobicContact CG1-CE1 3.8Å; V56-F136 HydrophobicContact CG1-CE2 3.78Å; V56-F136 HydrophobicContact CG1-CG 3.83Å; V56-F136 HydrophobicContact CG1-CZ 3.79Å; V56-F136 HydrophobicContact CG2-CE1 3.69Å; V56-F136 HydrophobicContact CG2-CE2 3.72Å; V56-F136 HydrophobicContact CG2-CZ 3.22Å; I88-F136 HydrophobicContact CD1-CE2 4.49Å; I90-F136 HydrophobicContact CD1-CB 4.08Å; I90-F136 HydrophobicContact CD1-CG 4.42Å; I90-F136 HydrophobicContact CG2-CB 4.1Å; I90-F136 HydrophobicContact CG2-CD2 3.77Å; I90-F136 HydrophobicContact CG2-CG 4.17Å; L118-F136 HydrophobicContact CD1-CD2 4.21Å; W120-F136 HydrophobicContact CH2-CB 4.36Å; K132-F136 PolarHBondContact O-N 2.84Å; Q133-F136 PolarHBondContact O-N 3.29Å; I134-F136 VanDerWaalsContact C-N 3.35Å; F136-E138 VanDerWaalsContact C-N 3.33Å; F136-E138 PolarHBondContact O-N 3.19Å; F136-W139 HydrophobicContact CD2-CE3 4.37Å; F136-W139 HydrophobicContact CE2-CE3 4.12Å; F136-W139 HydrophobicContact CE2-CZ3 4.29Å; F136-W139 WeakPolarHBondContact O-CB 3.33Å; F136-W139 PolarHBondContact O-N 3.31Å; F136-W139 VanDerWaalsContact O-N 3.15Å; F136-M140 HydrophobicContact CE1-CB 4.37Å; F136-M140 HydrophobicContact CE1-SD 4.21Å; F136-M140 HydrophobicContact CE2-CB 4.49Å; F136-M140 HydrophobicContact CZ-CB 4.1Å; F136-M140 HydrophobicContact CZ-CG 4.39Å; F136-M140 HydrophobicContact CZ-SD 4.2Å; F136-M140 WeakPolarHBondContact O-CB 3.3Å; F136-M140 PolarHBondContact O-N 3.28Å; F136-L150 HydrophobicContact CE1-CD2 3.81Å; F136-L150 HydrophobicContact CZ-CD2 3.97Å
137	L	98.6	Very high	97.6	Very high	8 Å²	8	23.3 Å²	23.3	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-36.5	-179.1	-73.1	175	0	0	0	112.4	Q133 I134 M140 E141 A227 I230 Y231	Q133-L137 WeakPolarHBondContact O-CB 3.29Å; Q133-L137 VanDerWaalsContact O-CG 3.26Å; Q133-L137 WeakPolarHBondContact O-CG 3.48Å; Q133-L137 PolarHBondContact O-N 3.35Å; I134-L137 PolarHBondContact O-N 3.27Å; L137-M140 HydrophobicContact CD2-SD 4.48Å; L137-M140 PolarHBondContact O-N 2.98Å; L137-E141 PolarHBondContact O-N 3.4Å; L137-A227 HydrophobicContact CD2-CB 3.86Å; L137-I230 HydrophobicContact CD1-CB 4.35Å; L137-I230 HydrophobicContact CD1-CG2 3.67Å; L137-Y231 HydrophobicContact CB-CD2 3.75Å; L137-Y231 HydrophobicContact CB-CG 4.03Å
138	E	97.9	Very high	97.7	Very high	36 Å²	36	26.7 Å²	26.7	17%	0.168	12%	0.124	C	C	.	.	H	α-helix	trans	-63	-40.9	171.1	177.9	179.9	170.5	0	0	112.1	H31 I134 L135 F136 R142 Y231	H31-E138 IonicContact CD2-OE1 3.73Å; H31-E138 IonicContact CD2-OE2 3.08Å; I134-E138 PolarHBondContact O-N 3.14Å; L135-E138 PolarHBondContact O-N 3.08Å; F136-E138 VanDerWaalsContact C-N 3.33Å; F136-E138 PolarHBondContact O-N 3.19Å; E138-R142 PolarHBondContact O-NE 3.4Å; E138-R142 IonicContact OE1-NH2 2.74Å; E138-Y231 HydrophobicContact CB-CD2 4.5Å; E138-Y231 HydrophobicContact CB-CE2 3.59Å; E138-Y231 HydrophobicContact CG-CE2 4.38Å; E138-Y231 WeakPolarHBondContact CG-OH 3.33Å
139	W	98.1	Very high	97.8	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-67	-40.6	174.8	175.9	93.2	0	0	0	111.6	M34 D37 L38 K41 I88 L118 W120 L135 F136 E141 R142 N143 C144	M34-W139 HydrophobicContact CE-CB 4.46Å; M34-W139 HydrophobicContact CE-CG 4.35Å; D37-W139 PolarHBondContact OD1-NE1 3.16Å; L38-W139 HydrophobicContact CB-CZ2 3.87Å; L38-W139 VanDerWaalsContact O-CZ2 3.31Å; L38-W139 WeakPolarHBondContact O-CZ2 3.39Å; K41-W139 HydrophobicContact CB-CH2 4.42Å; I88-W139 HydrophobicContact CD1-CE3 4.47Å; I88-W139 HydrophobicContact CD1-CH2 3.49Å; I88-W139 VanDerWaalsContact CD1-CH2 3.49Å; I88-W139 HydrophobicContact CD1-CZ3 3.46Å; I88-W139 VanDerWaalsContact CD1-CZ3 3.46Å; L118-W139 HydrophobicContact CD1-CD2 3.41Å; L118-W139 VanDerWaalsContact CD1-CD2 3.41Å; L118-W139 HydrophobicContact CD1-CE3 3.58Å; L118-W139 HydrophobicContact CD1-CG 3.83Å; L118-W139 HydrophobicContact CD1-CH2 4.32Å; L118-W139 HydrophobicContact CD1-CZ2 4.17Å; L118-W139 HydrophobicContact CD1-CZ3 4.04Å; L118-W139 HydrophobicContact CD2-CD2 4.17Å; L118-W139 HydrophobicContact CD2-CG 4.37Å; L118-W139 HydrophobicContact CD2-CZ2 4.07Å; L118-W139 HydrophobicContact CG-CD2 4.45Å; W120-W139 HydrophobicContact CZ2-CB 3.93Å; W120-W139 HydrophobicContact CZ2-CG 4.45Å; L135-W139 PolarHBondContact O-N 3.04Å; F136-W139 HydrophobicContact CD2-CE3 4.37Å; F136-W139 HydrophobicContact CE2-CE3 4.12Å; F136-W139 HydrophobicContact CE2-CZ3 4.29Å; F136-W139 WeakPolarHBondContact O-CB 3.33Å; F136-W139 PolarHBondContact O-N 3.31Å; F136-W139 VanDerWaalsContact O-N 3.15Å; W139-E141 VanDerWaalsContact C-N 3.34Å; W139-E141 PolarHBondContact O-N 3.39Å; W139-R142 PolarHBondContact O-N 2.78Å; W139-N143 VanDerWaalsContact CD1-ND2 3.26Å; W139-N143 HydrophobicContact CD2-CB 4.08Å; W139-N143 HydrophobicContact CE3-CB 4.35Å; W139-N143 HydrophobicContact CH2-CB 3.81Å; W139-N143 HydrophobicContact CZ2-CB 3.49Å; W139-N143 VanDerWaalsContact CZ2-CB 3.49Å; W139-N143 HydrophobicContact CZ3-CB 4.22Å; W139-N143 PolarHBondContact NE1-ND2 2.75Å; W139-N143 VanDerWaalsContact NE1-ND2 3.15Å; W139-N143 PolarHBondContact O-N 2.87Å; W139-N143 PolarHBondContact O-ND2 2.99Å; W139-C144 WeakPolarHBondContact CH2-SG 2.93Å; W139-C144 HydrophobicContact CZ3-CB 4.25Å; W139-C144 WeakPolarHBondContact CZ3-SG 2.95Å
140	M	97.7	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-39.8	179.2	-178	-170.3	167.3	0	0	111.6	F136 L137 R142 N143 C144 P145 A147 L150 A227 M228	F136-M140 HydrophobicContact CE1-CB 4.37Å; F136-M140 HydrophobicContact CE1-SD 4.21Å; F136-M140 HydrophobicContact CE2-CB 4.49Å; F136-M140 HydrophobicContact CZ-CB 4.1Å; F136-M140 HydrophobicContact CZ-CG 4.39Å; F136-M140 HydrophobicContact CZ-SD 4.2Å; F136-M140 WeakPolarHBondContact O-CB 3.3Å; F136-M140 PolarHBondContact O-N 3.28Å; L137-M140 HydrophobicContact CD2-SD 4.48Å; L137-M140 PolarHBondContact O-N 2.98Å; M140-R142 PolarHBondContact O-N 2.93Å; M140-R142 VanDerWaalsContact O-N 3.14Å; M140-N143 PolarHBondContact O-N 3.36Å; M140-C144 WeakPolarHBondContact CE-O 3.43Å; M140-C144 HydrophobicContact CG-CB 4Å; M140-C144 CarbonylContact O-C 3.35Å; M140-C144 WeakPolarHBondContact O-CA 3.32Å; M140-C144 PolarHBondContact O-N 3.43Å; M140-P145 VanDerWaalsContact O-N 3.13Å; M140-A147 HydrophobicContact CE-CB 4.31Å; M140-L150 HydrophobicContact CE-CD1 3.82Å; M140-L150 HydrophobicContact CE-CD2 4.21Å; M140-L150 HydrophobicContact SD-CD1 4.37Å; M140-L150 HydrophobicContact SD-CD2 3.66Å; M140-A227 HydrophobicContact CE-CB 4.23Å; M140-A227 HydrophobicContact SD-CB 3.98Å; M140-M228 HydrophobicContact CB-CE 3.95Å; M140-M228 HydrophobicContact CE-CE 3.93Å; M140-M228 HydrophobicContact CG-CE 3.69Å; M140-M228 HydrophobicContact SD-CE 3.46Å; M140-M228 WeakPolarHBondContact SD-CE 3.32Å
141	E	96.8	Very high	97.8	Very high	72 Å²	72	24.4 Å²	24.4	34%	0.336	11%	0.112	S	C	.	.	H	α-helix	trans	-53.7	-34.3	177.1	-174.1	-179.9	-113.3	0	0	111.9	L137 W139 M228 Y231	L137-E141 PolarHBondContact O-N 3.4Å; W139-E141 VanDerWaalsContact C-N 3.34Å; W139-E141 PolarHBondContact O-N 3.39Å; E141-M228 HydrophobicContact CB-SD 3.94Å; E141-M228 HydrophobicContact CG-SD 4.23Å; E141-Y231 HydrophobicContact CB-CD1 4.31Å; E141-Y231 HydrophobicContact CB-CE1 4.27Å; E141-Y231 VanDerWaalsContact CD-CE1 3.45Å; E141-Y231 HydrophobicContact CG-CE1 4.43Å; E141-Y231 WeakPolarHBondContact OE1-CD1 3.41Å; E141-Y231 WeakPolarHBondContact OE1-CE1 3.39Å; E141-Y231 WeakPolarHBondContact OE2-CE1 3.26Å
142	R	95.3	Very high	97.8	Very high	135 Å²	135	24.5 Å²	24.5	51%	0.509	11%	0.113	S	C	.	.	H	α-helix	trans	-91	-41.6	-178.4	-66.3	177.7	-76.3	167.9	-7	113.4	E138 W139 M140	E138-R142 PolarHBondContact O-NE 3.4Å; E138-R142 IonicContact OE1-NH2 2.74Å; W139-R142 PolarHBondContact O-N 2.78Å; M140-R142 PolarHBondContact O-N 2.93Å; M140-R142 VanDerWaalsContact O-N 3.14Å
143	N	96.3	Very high	97.8	Very high	25 Å²	25	24.4 Å²	24.4	13%	0.134	11%	0.112	C	C	.	.	H	α-helix	trans	-105.2	-27.1	-166.1	-62.1	-77.7	0	0	0	113.9	P39 W139 M140	P39-N143 WeakPolarHBondContact CA-OD1 3.37Å; W139-N143 VanDerWaalsContact CD1-ND2 3.26Å; W139-N143 HydrophobicContact CD2-CB 4.08Å; W139-N143 HydrophobicContact CE3-CB 4.35Å; W139-N143 HydrophobicContact CH2-CB 3.81Å; W139-N143 HydrophobicContact CZ2-CB 3.49Å; W139-N143 VanDerWaalsContact CZ2-CB 3.49Å; W139-N143 HydrophobicContact CZ3-CB 4.22Å; W139-N143 PolarHBondContact NE1-ND2 2.75Å; W139-N143 VanDerWaalsContact NE1-ND2 3.15Å; W139-N143 PolarHBondContact O-N 2.87Å; W139-N143 PolarHBondContact O-ND2 2.99Å; M140-N143 PolarHBondContact O-N 3.36Å
144	C	97.1	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.			trans	-137.3	42.9	-176.7	-61.6	0	0	0	0	113.5	C42 L54 W139 M140 N146 A147	C42-C144 HydrophobicContact CB-CB 3.88Å; C42-C144 WeakPolarHBondContact CB-SG 3.41Å; C42-C144 WeakPolarHBondContact SG-CB 3.31Å; C42-C144 CovalentContact SG-SG 2.02Å; C42-C144 PolarHBondContact SG-SG 3.08Å; L54-C144 HydrophobicContact CD2-CB 4.49Å; W139-C144 WeakPolarHBondContact CH2-SG 2.93Å; W139-C144 HydrophobicContact CZ3-CB 4.25Å; W139-C144 WeakPolarHBondContact CZ3-SG 2.95Å; M140-C144 WeakPolarHBondContact CE-O 3.43Å; M140-C144 HydrophobicContact CG-CB 4Å; M140-C144 CarbonylContact O-C 3.35Å; M140-C144 WeakPolarHBondContact O-CA 3.32Å; M140-C144 PolarHBondContact O-N 3.43Å; C144-N146 PolarHBondContact O-N 2.78Å; C144-N146 VanDerWaalsContact O-N 3.14Å; C144-A147 HydrophobicContact CB-CB 4.43Å; C144-A147 PolarHBondContact O-N 2.87Å
145	P	96.4	Very high	97.7	Very high	36 Å²	36	26 Å²	26	23%	0.234	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.1	-170.4	25.1	-35	0	0	0	114	A45 S48 M140	A45-P145 HydrophobicContact CB-CG 4.02Å; S48-P145 WeakPolarHBondContact OG-CD 3.45Å; M140-P145 VanDerWaalsContact O-N 3.13Å
146	N	96.8	Very high	97.7	Very high	92 Å²	92	27.1 Å²	27.1	49%	0.492	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	8.6	-174.7	-56	-56.4	0	0	0	113.8	A45 S48 G49 C144 R148	A45-N146 PolarHBondContact O-ND2 2.79Å; S48-N146 CarbonylContact O-C 3.15Å; S48-N146 VanDerWaalsContact OG-CB 3.3Å; S48-N146 WeakPolarHBondContact OG-CB 3.22Å; S48-N146 PolarHBondContact OG-N 2.89Å; G49-N146 WeakPolarHBondContact CA-O 3.41Å; C144-N146 PolarHBondContact O-N 2.78Å; C144-N146 VanDerWaalsContact O-N 3.14Å; N146-R148 PolarHBondContact O-N 3.43Å
147	A	98.1	Very high	97.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	13%	0.127	C	C	.	.			trans	-57.9	128.2	173.7	0	0	0	0	0	109.9	S48 V51 M140 C144 G224	S48-A147 WeakPolarHBondContact O-CA 3.26Å; S48-A147 PolarHBondContact O-N 2.99Å; V51-A147 HydrophobicContact CB-CB 4.21Å; V51-A147 HydrophobicContact CG1-CB 4.31Å; M140-A147 HydrophobicContact CE-CB 4.31Å; C144-A147 HydrophobicContact CB-CB 4.43Å; C144-A147 PolarHBondContact O-N 2.87Å; A147-G224 WeakPolarHBondContact O-CA 3.47Å
148	R	98.3	Very high	97.5	Very high	88 Å²	88	26.7 Å²	26.7	33%	0.332	13%	0.125	S	C	.	.			trans	-72.9	-47.4	-164.3	-58.4	-175.4	-166.9	-177.1	1.5	112.4	G49 V51 N146 G176 S223 G224	G49-R148 PolarHBondContact O-NE 2.8Å; G49-R148 PolarHBondContact O-NH2 2.83Å; V51-R148 PolarHBondContact O-N 2.88Å; N146-R148 PolarHBondContact O-N 3.43Å; R148-G176 WeakPolarHBondContact O-CA 3.39Å; R148-S223 CarbonylContact O-C 3.5Å; R148-S223 WeakPolarHBondContact O-CA 3.39Å; R148-G224 PolarHBondContact O-N 3.42Å
149	F	98.8	Very high	97.5	Very high	1 Å²	1	25 Å²	25	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.5	180	-58.3	-74.4	0	0	0	110.9	F52 L53 L54 L168 N174 L180 L222	F52-F149 HydrophobicContact CD2-CD2 4.33Å; F52-F149 HydrophobicContact CD2-CE2 4.48Å; F52-F149 HydrophobicContact CE1-CD2 4.17Å; F52-F149 AromaticContact CE2-CD2 3.93Å; F52-F149 HydrophobicContact CE2-CD2 3.93Å; F52-F149 AromaticContact CE2-CE2 3.78Å; F52-F149 HydrophobicContact CE2-CE2 3.78Å; F52-F149 AromaticContact CZ-CD2 3.85Å; F52-F149 HydrophobicContact CZ-CD2 3.85Å; F52-F149 AromaticContact CZ-CE2 3.86Å; F52-F149 HydrophobicContact CZ-CE2 3.86Å; F52-F149 WeakPolarHBondContact O-CB 3.13Å; F52-F149 PolarHBondContact O-N 2.98Å; L53-F149 WeakPolarHBondContact CA-O 3.24Å; L53-F149 HydrophobicContact CD1-CB 4.18Å; L54-F149 PolarHBondContact N-O 2.8Å; F149-L168 HydrophobicContact CB-CD1 3.68Å; F149-L168 HydrophobicContact CB-CD2 4.34Å; F149-L168 HydrophobicContact CD1-CD1 4.46Å; F149-L168 HydrophobicContact CD1-CD2 3.64Å; F149-L168 HydrophobicContact CD2-CB 4.11Å; F149-L168 HydrophobicContact CD2-CD1 3.99Å; F149-L168 HydrophobicContact CD2-CD2 4.28Å; F149-L168 HydrophobicContact CD2-CG 4.35Å; F149-L168 HydrophobicContact CE1-CD2 3.89Å; F149-L168 HydrophobicContact CE2-CB 4.09Å; F149-L168 HydrophobicContact CE2-CD2 4.49Å; F149-L168 HydrophobicContact CG-CB 4.48Å; F149-L168 HydrophobicContact CG-CD1 3.8Å; F149-L168 HydrophobicContact CG-CD2 3.83Å; F149-L168 HydrophobicContact CG-CG 4.25Å; F149-L168 HydrophobicContact CZ-CB 4.45Å; F149-L168 HydrophobicContact CZ-CD2 4.29Å; F149-N174 WeakPolarHBondContact CZ-O 3.26Å; F149-L180 HydrophobicContact CD1-CD2 3.78Å; F149-L180 HydrophobicContact CE1-CD2 3.72Å; F149-L222 CarbonylContact C-O 3.56Å; F149-L222 WeakPolarHBondContact CA-O 3.32Å
150	L	98.8	Very high	97.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.6	176.6	-64.2	76.2	0	0	0	109	L54 V56 F136 M140 L221 L222 A227	L54-L150 HydrophobicContact CB-CG 4.31Å; L54-L150 CarbonylContact O-C 3.49Å; L54-L150 VanDerWaalsContact O-CA 3.22Å; L54-L150 WeakPolarHBondContact O-CA 2.97Å; V56-L150 HydrophobicContact CG2-CD2 4.01Å; F136-L150 HydrophobicContact CE1-CD2 3.81Å; F136-L150 HydrophobicContact CZ-CD2 3.97Å; M140-L150 HydrophobicContact CE-CD1 3.82Å; M140-L150 HydrophobicContact CE-CD2 4.21Å; M140-L150 HydrophobicContact SD-CD1 4.37Å; M140-L150 HydrophobicContact SD-CD2 3.66Å; L150-L221 WeakPolarHBondContact O-CA 3.4Å; L150-L222 HydrophobicContact CB-CD2 3.52Å; L150-L222 HydrophobicContact CB-CG 4.02Å; L150-L222 PolarHBondContact N-O 3.08Å; L150-L222 PolarHBondContact O-N 3.25Å; L150-A227 HydrophobicContact CD1-CB 4.23Å; L150-A227 HydrophobicContact CD2-CB 4.2Å
151	L	98.8	Very high	97.4	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.3	152.3	172.3	67.7	0	0	0	106.2	L53 L54 L55 V56 W74 A159 M164 L221 L289	L53-L151 HydrophobicContact CD1-CB 4.33Å; L54-L151 PolarHBondContact O-N 3.05Å; L55-L151 HydrophobicContact CD2-CB 3.85Å; L55-L151 HydrophobicContact CD2-CD2 3.94Å; V56-L151 PolarHBondContact N-O 3.05Å; W74-L151 HydrophobicContact CZ3-CD2 4.19Å; L151-A159 HydrophobicContact CD2-CB 4.48Å; L151-M164 HydrophobicContact CB-SD 4.44Å; L151-M164 HydrophobicContact CD1-CE 3.78Å; L151-M164 HydrophobicContact CD1-SD 4.11Å; L151-M164 HydrophobicContact CD2-CE 3.84Å; L151-M164 HydrophobicContact CD2-SD 3.9Å; L151-M164 HydrophobicContact CG-CE 4.4Å; L151-M164 HydrophobicContact CG-SD 4.37Å; L151-L221 HydrophobicContact CB-CD2 4.02Å; L151-L221 HydrophobicContact CD1-CD2 4.06Å; L151-L289 HydrophobicContact CD1-CD1 4.13Å
152	N	98.3	Very high	97.5	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.043	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.9	164.2	-161.4	-43.3	0	0	0	107.7	V56 Q133 G219 F220 L222	V56-N152 WeakPolarHBondContact O-CA 3.37Å; Q133-N152 VanDerWaalsContact CD-ND2 3.26Å; Q133-N152 PolarHBondContact NE2-ND2 3.29Å; Q133-N152 PolarHBondContact NE2-OD1 3.22Å; Q133-N152 PolarHBondContact OE1-ND2 3.3Å; Q133-N152 VanDerWaalsContact OE1-ND2 3.08Å; N152-G219 CarbonylContact O-C 3.55Å; N152-G219 WeakPolarHBondContact O-CA 3.47Å; N152-F220 HydrophobicContact CB-CD2 3.94Å; N152-F220 HydrophobicContact CB-CE1 4.3Å; N152-F220 HydrophobicContact CB-CE2 3.43Å; N152-F220 VanDerWaalsContact CB-CE2 3.43Å; N152-F220 HydrophobicContact CB-CZ 3.63Å; N152-F220 PolarHBondContact N-O 3.39Å; N152-F220 PolarHBondContact O-N 2.65Å; N152-L222 HydrophobicContact CB-CD2 4.17Å
153	G	97.3	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	168.3	-175.3	0	0	0	0	0	114.7	V56 I57 K58 G218	V56-G153 PolarHBondContact O-N 2.69Å; I57-G153 CarbonylContact C-O 3.58Å; I57-G153 WeakPolarHBondContact CA-O 3.47Å; K58-G153 PolarHBondContact N-O 3.4Å; G153-G218 CarbonylContact C-O 3.17Å; G153-G218 WeakPolarHBondContact CA-O 3.45Å
154	D	98.1	Very high	97.7	Very high	32 Å²	32	17.2 Å²	17.2	17%	0.171	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	158.4	175.8	-61.7	-29.6	0	0	0	110.8	K58 D156 V157 G218	K58-D154 WeakPolarHBondContact CE-OD1 3.45Å; K58-D154 IonicContact NZ-OD1 3.51Å; K58-D154 PolarHBondContact NZ-OD1 3.26Å; D154-D156 WeakPolarHBondContact CB-OD1 2.98Å; D154-D156 PolarHBondContact O-N 3.45Å; D154-V157 HydrophobicContact CB-CG1 4.35Å; D154-V157 WeakPolarHBondContact O-CG2 3.48Å; D154-G218 PolarHBondContact N-O 2.85Å; D154-G218 VanDerWaalsContact OD2-CA 3.24Å; D154-G218 WeakPolarHBondContact OD2-CA 3.5Å; D154-G218 PolarHBondContact OD2-N 3.29Å
155	D	98.1	Very high	97.7	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.037	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	2.1	-178.9	67.5	12.3	0	0	0	115.1	I57 K58 S59 N63 R66 L70	I57-D155 HydrophobicContact CG2-CB 3.93Å; K58-D155 PolarHBondContact O-N 3.38Å; S59-D155 WeakPolarHBondContact CA-OD2 3.42Å; S59-D155 VanDerWaalsContact CB-OD2 3.31Å; S59-D155 WeakPolarHBondContact CB-OD2 3.48Å; S59-D155 PolarHBondContact OG-OD2 3.11Å; N63-D155 WeakPolarHBondContact CB-OD2 3.15Å; N63-D155 PolarHBondContact ND2-OD2 2.95Å; R66-D155 HydrophobicContact CB-CB 4.28Å; R66-D155 VanDerWaalsContact CD-CG 3.48Å; R66-D155 WeakPolarHBondContact CD-OD1 3.38Å; R66-D155 IonicContact CZ-OD1 3.19Å; R66-D155 IonicContact NE-OD1 2.85Å; R66-D155 IonicContact NH1-OD1 3.23Å; R66-D155 PolarHBondContact NH1-OD1 3.29Å; L70-D155 HydrophobicContact CD2-CB 4.38Å
156	D	97.4	Very high	97.8	Very high	24 Å²	24	18.9 Å²	18.9	13%	0.128	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	18.5	177.1	66.4	-8.5	0	0	0	114.1	D154 H291 R292 F293	D154-D156 WeakPolarHBondContact CB-OD1 2.98Å; D154-D156 PolarHBondContact O-N 3.45Å; D156-H291 IonicContact OD1-CD2 3.28Å; D156-H291 PolarHBondContact OD1-CD2 3.3Å; D156-H291 VanDerWaalsContact OD1-CD2 3.28Å; D156-H291 IonicContact OD1-NE2 3.05Å; D156-H291 PolarHBondContact OD1-NE2 3.03Å; D156-H291 IonicContact OD2-CD2 3.8Å; D156-H291 IonicContact OD2-NE2 2.8Å; D156-H291 PolarHBondContact OD2-NE2 3.43Å; D156-R292 CarbonylContact O-C 3.58Å; D156-R292 VanDerWaalsContact O-CA 3.25Å; D156-R292 WeakPolarHBondContact O-CA 3.03Å; D156-F293 PolarHBondContact O-N 3.07Å
157	V	97.3	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	150.5	175.5	-55.6	0	0	0	0	112.4	W74 D154 G218 L289 V290 H291 M298	W74-V157 HydrophobicContact CH2-CG2 4.12Å; W74-V157 HydrophobicContact CZ2-CG2 3.84Å; W74-V157 WeakPolarHBondContact CZ2-O 3.5Å; W74-V157 PolarHBondContact NE1-O 3.16Å; D154-V157 HydrophobicContact CB-CG1 4.35Å; D154-V157 WeakPolarHBondContact O-CG2 3.48Å; V157-G218 VanDerWaalsContact CG1-O 3.26Å; V157-G218 WeakPolarHBondContact CG1-O 3.26Å; V157-L289 HydrophobicContact CB-CD1 4.16Å; V157-L289 HydrophobicContact CB-CD2 4.17Å; V157-L289 HydrophobicContact CB-CG 3.99Å; V157-L289 HydrophobicContact CG1-CD1 4.42Å; V157-L289 HydrophobicContact CG1-CD2 4.06Å; V157-L289 HydrophobicContact CG1-CG 4.37Å; V157-L289 HydrophobicContact CG2-CD1 3.78Å; V157-L289 HydrophobicContact CG2-CG 4.08Å; V157-V290 WeakPolarHBondContact CA-O 3.42Å; V157-H291 HydrophobicContact CG1-CB 4.36Å; V157-M298 VanDerWaalsContact O-CE 3.27Å; V157-M298 WeakPolarHBondContact O-CE 3.49Å
158	F	96.8	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.1	165.1	179.4	-111.2	0	0	0	109.2	H160 Y284 L289 V290 F293 M298 M301 W302 T305	F158-H160 AromaticContact CE1-CD2 3.67Å; F158-H160 AromaticContact CE1-CE1 3.88Å; F158-H160 AromaticContact CE1-NE2 3.07Å; F158-H160 WeakPolarHBondContact CE1-NE2 3.41Å; F158-H160 AromaticContact CZ-CE1 3.86Å; F158-H160 AromaticContact CZ-NE2 3.5Å; F158-H160 WeakPolarHBondContact CZ-NE2 3.47Å; F158-Y284 HydrophobicContact CD1-CD1 4.25Å; F158-L289 CarbonylContact O-C 3.56Å; F158-L289 WeakPolarHBondContact O-CA 3.19Å; F158-V290 PolarHBondContact N-O 3.39Å; F158-V290 PolarHBondContact O-N 3.32Å; F158-F293 HydrophobicContact CB-CB 4.39Å; F158-F293 HydrophobicContact CB-CD1 4.39Å; F158-F293 HydrophobicContact CB-CD2 3.32Å; F158-F293 HydrophobicContact CB-CE2 3.56Å; F158-F293 HydrophobicContact CB-CG 3.79Å; F158-F293 HydrophobicContact CB-CZ 4.2Å; F158-F293 HydrophobicContact CD1-CE2 4.41Å; F158-F293 HydrophobicContact CD1-CZ 4.49Å; F158-F293 HydrophobicContact CG-CD2 4.32Å; F158-F293 HydrophobicContact CG-CE2 4.21Å; F158-F293 HydrophobicContact CG-CZ 4.41Å; F158-M298 HydrophobicContact CD2-CG 4.1Å; F158-M301 HydrophobicContact CD1-CG 4.05Å; F158-M301 HydrophobicContact CD2-CB 4.44Å; F158-M301 HydrophobicContact CD2-CG 4.19Å; F158-M301 HydrophobicContact CE1-CG 3.65Å; F158-M301 HydrophobicContact CE2-CB 4.16Å; F158-M301 HydrophobicContact CE2-CG 3.84Å; F158-M301 HydrophobicContact CG-CG 4.3Å; F158-M301 HydrophobicContact CZ-CB 4.35Å; F158-M301 HydrophobicContact CZ-CG 3.57Å; F158-W302 HydrophobicContact CE2-CB 4.05Å; F158-W302 HydrophobicContact CE2-CE3 4.11Å; F158-W302 HydrophobicContact CZ-CE3 4.43Å; F158-T305 HydrophobicContact CE1-CG2 4.32Å; F158-T305 HydrophobicContact CZ-CG2 4.1Å
159	A	97.3	Very high	97.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141	-175.5	0	0	0	0	0	112.2	W74 L151 M164 L288	W74-A159 WeakPolarHBondContact CB-O 2.93Å; W74-A159 HydrophobicContact CD2-CB 3.76Å; W74-A159 HydrophobicContact CE3-CB 3.78Å; W74-A159 HydrophobicContact CG-CB 4.13Å; W74-A159 HydrophobicContact CZ3-CB 4.21Å; L151-A159 HydrophobicContact CD2-CB 4.48Å; A159-M164 HydrophobicContact CB-CE 3.79Å; A159-L288 CarbonylContact C-O 3.59Å; A159-L288 WeakPolarHBondContact CA-O 3.22Å
160	H	97	Very high	97.7	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.023	11%	0.108	C	C	.	.			trans	-100.2	84.8	169.8	-77.9	-84.8	0	0	0	110	F158 N162 N163 M164 Y284 V287 L288	F158-H160 AromaticContact CE1-CD2 3.67Å; F158-H160 AromaticContact CE1-CE1 3.88Å; F158-H160 AromaticContact CE1-NE2 3.07Å; F158-H160 WeakPolarHBondContact CE1-NE2 3.41Å; F158-H160 AromaticContact CZ-CE1 3.86Å; F158-H160 AromaticContact CZ-NE2 3.5Å; F158-H160 WeakPolarHBondContact CZ-NE2 3.47Å; H160-N162 PolarHBondContact O-N 3.41Å; H160-N163 HydrophobicContact CB-CB 3.85Å; H160-N163 WeakPolarHBondContact CB-ND2 3.32Å; H160-N163 PolarHBondContact O-N 3.27Å; H160-M164 WeakPolarHBondContact O-CG 3.48Å; H160-M164 PolarHBondContact O-N 2.94Å; H160-Y284 PolarHBondContact CD2-O 3Å; H160-Y284 PolarHBondContact NE2-O 3.31Å; H160-V287 VanDerWaalsContact CB-O 3.31Å; H160-V287 WeakPolarHBondContact CB-O 3.15Å; H160-L288 PolarHBondContact N-O 2.93Å
161	T	97.6	Very high	97.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-25.1	-179.5	45.7	0	0	0	0	113.1	L55 W74 R78 M164 V165	L55-T161 HydrophobicContact CD1-CG2 3.99Å; L55-T161 HydrophobicContact CD2-CG2 3.83Å; W74-T161 HydrophobicContact CE3-CG2 4.11Å; W74-T161 WeakPolarHBondContact O-CG2 3.42Å; W74-T161 PolarHBondContact O-OG1 3.5Å; R78-T161 PolarHBondContact NH2-OG1 2.93Å; T161-M164 HydrophobicContact CG2-SD 4.31Å; T161-V165 WeakPolarHBondContact O-CG2 3.39Å; T161-V165 PolarHBondContact O-N 2.72Å; T161-V165 VanDerWaalsContact O-N 3.09Å
162	N	97	Very high	97.1	Very high	21 Å²	21	30.7 Å²	30.7	11%	0.112	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-48.3	170.1	-66.8	-1.6	0	0	0	111.8	R78 Y80 H160 M164 V165 V166	R78-N162 PolarHBondContact NH2-OD1 3.02Å; Y80-N162 HydrophobicContact CD1-CB 4.03Å; Y80-N162 HydrophobicContact CD2-CB 4.39Å; Y80-N162 WeakPolarHBondContact CD2-OD1 3.31Å; Y80-N162 HydrophobicContact CE1-CB 3.64Å; Y80-N162 HydrophobicContact CE2-CB 4.05Å; Y80-N162 HydrophobicContact CG-CB 4.38Å; H160-N162 PolarHBondContact O-N 3.41Å; N162-M164 VanDerWaalsContact C-N 3.28Å; N162-M164 PolarHBondContact O-N 3.2Å; N162-V165 PolarHBondContact O-N 3.21Å; N162-V165 VanDerWaalsContact O-N 3.16Å; N162-V166 WeakPolarHBondContact O-CG2 3.47Å; N162-V166 PolarHBondContact O-N 2.98Å
163	N	97.6	Very high	96.7	Very high	43 Å²	43	37.6 Å²	37.6	23%	0.23	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-37.1	179.2	-62.3	-4.7	0	0	0	110.9	H160 V166 Y167 K285 V287 L288	H160-N163 HydrophobicContact CB-CB 3.85Å; H160-N163 WeakPolarHBondContact CB-ND2 3.32Å; H160-N163 PolarHBondContact O-N 3.27Å; N163-V166 PolarHBondContact O-N 3.25Å; N163-Y167 WeakPolarHBondContact O-CB 3.38Å; N163-Y167 PolarHBondContact O-N 3.42Å; N163-K285 PolarHBondContact ND2-O 3.45Å; N163-V287 PolarHBondContact ND2-O 3.03Å; N163-L288 HydrophobicContact CB-CD2 3.61Å
164	M	98.4	Very high	96.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-44.3	173.8	-64.1	176.9	-178.5	0	0	111.7	L53 L151 A159 H160 T161 N162 Y167 L168 L221 L288 L289	L53-M164 HydrophobicContact CD2-CB 4.27Å; L151-M164 HydrophobicContact CB-SD 4.44Å; L151-M164 HydrophobicContact CD1-CE 3.78Å; L151-M164 HydrophobicContact CD1-SD 4.11Å; L151-M164 HydrophobicContact CD2-CE 3.84Å; L151-M164 HydrophobicContact CD2-SD 3.9Å; L151-M164 HydrophobicContact CG-CE 4.4Å; L151-M164 HydrophobicContact CG-SD 4.37Å; A159-M164 HydrophobicContact CB-CE 3.79Å; H160-M164 WeakPolarHBondContact O-CG 3.48Å; H160-M164 PolarHBondContact O-N 2.94Å; T161-M164 HydrophobicContact CG2-SD 4.31Å; N162-M164 VanDerWaalsContact C-N 3.28Å; N162-M164 PolarHBondContact O-N 3.2Å; M164-Y167 PolarHBondContact O-N 3.24Å; M164-L168 WeakPolarHBondContact O-CB 3.46Å; M164-L168 WeakPolarHBondContact O-CG 3.46Å; M164-L168 PolarHBondContact O-N 3.42Å; M164-L221 HydrophobicContact CB-CD1 4.34Å; M164-L221 HydrophobicContact CB-CD2 4.46Å; M164-L221 HydrophobicContact CG-CD1 4.2Å; M164-L221 HydrophobicContact CG-CD2 4.34Å; M164-L221 HydrophobicContact SD-CD2 3.98Å; M164-L288 HydrophobicContact CE-CB 4.32Å; M164-L288 WeakPolarHBondContact CE-O 3.38Å; M164-L288 HydrophobicContact CG-CB 4.29Å; M164-L288 HydrophobicContact CG-CD2 4.1Å; M164-L289 HydrophobicContact CE-CB 4.15Å; M164-L289 HydrophobicContact CE-CD1 4.49Å
165	V	98.4	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-46	176.4	168.8	0	0	0	0	111.1	F52 L53 Y80 M83 I85 T161 N162 Y167 L168 Q169	F52-V165 HydrophobicContact CD1-CG2 4.26Å; F52-V165 HydrophobicContact CE1-CB 4.36Å; F52-V165 HydrophobicContact CE1-CG1 4.11Å; F52-V165 HydrophobicContact CE1-CG2 4.13Å; L53-V165 HydrophobicContact CD2-CG2 4.31Å; Y80-V165 HydrophobicContact CD1-CB 3.99Å; Y80-V165 HydrophobicContact CD1-CG1 3.96Å; M83-V165 HydrophobicContact CB-CG1 3.88Å; M83-V165 HydrophobicContact CG-CG1 3.91Å; I85-V165 HydrophobicContact CD1-CG2 3.87Å; I85-V165 HydrophobicContact CG1-CG2 4.16Å; T161-V165 WeakPolarHBondContact O-CG2 3.39Å; T161-V165 PolarHBondContact O-N 2.72Å; T161-V165 VanDerWaalsContact O-N 3.09Å; N162-V165 PolarHBondContact O-N 3.21Å; N162-V165 VanDerWaalsContact O-N 3.16Å; V165-Y167 PolarHBondContact O-N 3.42Å; V165-L168 PolarHBondContact O-N 3.37Å; V165-Q169 HydrophobicContact CG1-CG 4.27Å; V165-Q169 WeakPolarHBondContact O-CB 3.45Å; V165-Q169 WeakPolarHBondContact O-CG 3.39Å; V165-Q169 PolarHBondContact O-N 3.25Å
166	V	97.9	Very high	96.2	Very high	70 Å²	70	44.2 Å²	44.2	42%	0.424	22%	0.219	S	C	.	.	H	α-helix	trans	-59.3	-47.5	177.4	173.8	0	0	0	0	111.1	Y80 N162 N163 L168 Q169 S170	Y80-V166 HydrophobicContact CE1-CG2 4.07Å; N162-V166 WeakPolarHBondContact O-CG2 3.47Å; N162-V166 PolarHBondContact O-N 2.98Å; N163-V166 PolarHBondContact O-N 3.25Å; V166-L168 PolarHBondContact O-N 3.47Å; V166-Q169 PolarHBondContact O-N 3.26Å; V166-S170 PolarHBondContact O-N 3.22Å; V166-S170 VanDerWaalsContact O-N 3.09Å
167	Y	98	Very high	96.1	Very high	48 Å²	48	47 Å²	47	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-49.9	176.1	168	-111.3	0	0	0	111.7	N163 M164 V165 Q169 S170 L171 T182 L221 H261 L288	N163-Y167 WeakPolarHBondContact O-CB 3.38Å; N163-Y167 PolarHBondContact O-N 3.42Å; M164-Y167 PolarHBondContact O-N 3.24Å; V165-Y167 PolarHBondContact O-N 3.42Å; Y167-Q169 PolarHBondContact O-N 3.25Å; Y167-S170 WeakPolarHBondContact O-CB 3.48Å; Y167-S170 PolarHBondContact O-N 3.03Å; Y167-S170 VanDerWaalsContact O-N 3.1Å; Y167-S170 PolarHBondContact O-OG 3Å; Y167-L171 HydrophobicContact CE1-CD1 4.41Å; Y167-L171 HydrophobicContact CE2-CD2 4.36Å; Y167-T182 HydrophobicContact CE1-CG2 3.83Å; Y167-L221 HydrophobicContact CD1-CD1 3.8Å; Y167-L221 HydrophobicContact CE1-CD1 4.04Å; Y167-H261 AromaticContact CD2-CD2 3.93Å; Y167-H261 AromaticContact CD2-NE2 3.48Å; Y167-H261 WeakPolarHBondContact CD2-NE2 3.45Å; Y167-H261 AromaticContact CE2-CD2 3.5Å; Y167-H261 AromaticContact CE2-NE2 3.55Å; Y167-H261 AromaticContact CG-NE2 3.91Å; Y167-H261 AromaticContact CZ-CD2 3.59Å; Y167-L288 HydrophobicContact CD1-CD1 4.32Å
168	L	98.3	Very high	96.1	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-35.9	-178.3	-67.8	169.8	0	0	0	112.5	F52 L53 F149 M164 V165 V166 S170 L171 L180 L221	F52-L168 HydrophobicContact CE1-CB 3.91Å; F52-L168 HydrophobicContact CE1-CD1 4.1Å; F52-L168 HydrophobicContact CZ-CB 3.68Å; L53-L168 HydrophobicContact CD1-CD1 4.07Å; F149-L168 HydrophobicContact CB-CD1 3.68Å; F149-L168 HydrophobicContact CB-CD2 4.34Å; F149-L168 HydrophobicContact CD1-CD1 4.46Å; F149-L168 HydrophobicContact CD1-CD2 3.64Å; F149-L168 HydrophobicContact CD2-CB 4.11Å; F149-L168 HydrophobicContact CD2-CD1 3.99Å; F149-L168 HydrophobicContact CD2-CD2 4.28Å; F149-L168 HydrophobicContact CD2-CG 4.35Å; F149-L168 HydrophobicContact CE1-CD2 3.89Å; F149-L168 HydrophobicContact CE2-CB 4.09Å; F149-L168 HydrophobicContact CE2-CD2 4.49Å; F149-L168 HydrophobicContact CG-CB 4.48Å; F149-L168 HydrophobicContact CG-CD1 3.8Å; F149-L168 HydrophobicContact CG-CD2 3.83Å; F149-L168 HydrophobicContact CG-CG 4.25Å; F149-L168 HydrophobicContact CZ-CB 4.45Å; F149-L168 HydrophobicContact CZ-CD2 4.29Å; M164-L168 WeakPolarHBondContact O-CB 3.46Å; M164-L168 WeakPolarHBondContact O-CG 3.46Å; M164-L168 PolarHBondContact O-N 3.42Å; V165-L168 PolarHBondContact O-N 3.37Å; V166-L168 PolarHBondContact O-N 3.47Å; L168-S170 VanDerWaalsContact C-N 3.26Å; L168-S170 PolarHBondContact O-N 3.34Å; L168-L171 HydrophobicContact CD2-CD1 4.2Å; L168-L171 WeakPolarHBondContact O-CB 3.38Å; L168-L171 PolarHBondContact O-N 3.14Å; L168-L180 HydrophobicContact CD2-CD2 3.49Å; L168-L180 VanDerWaalsContact CD2-CD2 3.49Å; L168-L221 HydrophobicContact CD1-CD2 4.45Å; L168-L221 HydrophobicContact CD2-CD1 4.43Å
169	Q	97.4	Very high	96.2	Very high	74 Å²	74	54.5 Å²	54.5	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-28.1	173.5	-74.7	-175.8	-54.9	0	0	112.6	F52 N81 M83 V165 V166 Y167 L171	F52-Q169 HydrophobicContact CE2-CG 4.35Å; F52-Q169 HydrophobicContact CZ-CG 3.9Å; N81-Q169 PolarHBondContact O-NE2 2.84Å; M83-Q169 HydrophobicContact CG-CG 4.09Å; V165-Q169 HydrophobicContact CG1-CG 4.27Å; V165-Q169 WeakPolarHBondContact O-CB 3.45Å; V165-Q169 WeakPolarHBondContact O-CG 3.39Å; V165-Q169 PolarHBondContact O-N 3.25Å; V166-Q169 PolarHBondContact O-N 3.26Å; Y167-Q169 PolarHBondContact O-N 3.25Å; Q169-L171 PolarHBondContact O-N 2.96Å
170	S	96.8	Very high	96.3	Very high	75 Å²	75	55.1 Å²	55.1	52%	0.524	28%	0.277	S	S	.	.	H	α-helix	trans	-68.4	-19.8	176.6	81.8	0	0	0	0	113.3	V166 Y167 L168 K172	V166-S170 PolarHBondContact O-N 3.22Å; V166-S170 VanDerWaalsContact O-N 3.09Å; Y167-S170 WeakPolarHBondContact O-CB 3.48Å; Y167-S170 PolarHBondContact O-N 3.03Å; Y167-S170 VanDerWaalsContact O-N 3.1Å; Y167-S170 PolarHBondContact O-OG 3Å; L168-S170 VanDerWaalsContact C-N 3.26Å; L168-S170 PolarHBondContact O-N 3.34Å; S170-K172 PolarHBondContact O-N 2.89Å
171	L	95.9	Very high	96.4	Very high	46 Å²	46	55 Å²	55	24%	0.241	28%	0.277	C	S	.	.			trans	-77.8	66.8	177.3	-54.7	178.5	0	0	0	110.9	Y167 L168 Q169 E173 N174 L180	Y167-L171 HydrophobicContact CE1-CD1 4.41Å; Y167-L171 HydrophobicContact CE2-CD2 4.36Å; L168-L171 HydrophobicContact CD2-CD1 4.2Å; L168-L171 WeakPolarHBondContact O-CB 3.38Å; L168-L171 PolarHBondContact O-N 3.14Å; Q169-L171 PolarHBondContact O-N 2.96Å; L171-E173 PolarHBondContact O-N 3.14Å; L171-N174 HydrophobicContact CB-CB 4.24Å; L171-N174 PolarHBondContact O-N 3.38Å; L171-L180 HydrophobicContact CD1-CD1 3.92Å; L171-L180 HydrophobicContact CD1-CD2 3.77Å; L171-L180 HydrophobicContact CD1-CG 4.45Å
172	K	88.3	Confident	96.4	Very high	188 Å²	188	55 Å²	55	82%	0.817	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-34.8	-169.6	-64.2	-172.6	-177.5	-179.3	0	114.8	S170	S170-K172 PolarHBondContact O-N 2.89Å
173	E	90.8	Very high	96.4	Very high	153 Å²	153	54 Å²	54	72%	0.715	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.3	-177.7	-60.4	-162.5	170.9	0	0	115.2	L171 K178	L171-E173 PolarHBondContact O-N 3.14Å; E173-K178 WeakPolarHBondContact O-CD 3.46Å; E173-K178 WeakPolarHBondContact O-CE 3.41Å; E173-K178 IonicContact OE2-NZ 3.08Å; E173-K178 PolarHBondContact OE2-NZ 2.84Å; E173-K178 VanDerWaalsContact OE2-NZ 3.08Å
174	N	93.8	Very high	96.4	Very high	16 Å²	16	55.1 Å²	55.1	9%	0.086	28%	0.275	C	S	.	.			trans	-113.5	104.3	-179.1	-167.6	-8.5	0	0	0	109.4	F149 L171 G176 S177 K178 H179	F149-N174 WeakPolarHBondContact CZ-O 3.26Å; L171-N174 HydrophobicContact CB-CB 4.24Å; L171-N174 PolarHBondContact O-N 3.38Å; N174-G176 VanDerWaalsContact C-N 3.29Å; N174-G176 WeakPolarHBondContact OD1-CA 3.46Å; N174-G176 PolarHBondContact OD1-N 2.69Å; N174-S177 PolarHBondContact OD1-N 3.28Å; N174-K178 HydrophobicContact CB-CB 4.32Å; N174-K178 PolarHBondContact ND2-O 3.23Å; N174-K178 PolarHBondContact OD1-N 3.13Å; N174-K178 VanDerWaalsContact OD1-N 3.17Å; N174-K178 PolarHBondContact OD1-O 3.49Å; N174-H179 PolarHBondContact ND2-O 2.9Å
175	K	93.4	Very high	96.4	Very high	155 Å²	155	56.7 Å²	56.7	67%	0.674	28%	0.283	S	S	*	.	S	Bend	trans	-94.7	21.3	173.4	-63.6	-176	179.2	178.5	0	112.6
176	G	95.1	Very high	96.3	Very high	8 Å²	8	58.7 Å²	58.7	8%	0.082	29%	0.294	C	S	.	.	S	Bend	trans	99.3	-5.3	-173.4	0	0	0	0	0	114.4	R148 N174 Y225	R148-G176 WeakPolarHBondContact O-CA 3.39Å; N174-G176 VanDerWaalsContact C-N 3.29Å; N174-G176 WeakPolarHBondContact OD1-CA 3.46Å; N174-G176 PolarHBondContact OD1-N 2.69Å; G176-Y225 VanDerWaalsContact O-CB 3.31Å; G176-Y225 WeakPolarHBondContact O-CB 3.42Å; G176-Y225 PolarHBondContact O-N 3.29Å
177	S	95.6	Very high	96.3	Very high	81 Å²	81	60.2 Å²	60.2	57%	0.566	30%	0.296	S	S	*	.	S	Bend	trans	-96.8	-6.6	-176.8	57.9	0	0	0	0	114.7	N174 Y225	N174-S177 PolarHBondContact OD1-N 3.28Å; S177-Y225 WeakPolarHBondContact O-CD2 3.44Å
178	K	97.7	Very high	96.3	Very high	99 Å²	99	65.9 Å²	65.9	43%	0.43	33%	0.329	S	S	.	.	S	Bend	trans	-113.6	161.6	175.6	-63.6	-176.7	179.8	-179.5	0	110.2	E173 N174 L180 S223	E173-K178 WeakPolarHBondContact O-CD 3.46Å; E173-K178 WeakPolarHBondContact O-CE 3.41Å; E173-K178 IonicContact OE2-NZ 3.08Å; E173-K178 PolarHBondContact OE2-NZ 2.84Å; E173-K178 VanDerWaalsContact OE2-NZ 3.08Å; N174-K178 HydrophobicContact CB-CB 4.32Å; N174-K178 PolarHBondContact ND2-O 3.23Å; N174-K178 PolarHBondContact OD1-N 3.13Å; N174-K178 VanDerWaalsContact OD1-N 3.17Å; N174-K178 PolarHBondContact OD1-O 3.49Å; K178-L180 PolarHBondContact O-N 2.76Å; K178-S223 VanDerWaalsContact O-CB 3.22Å; K178-S223 WeakPolarHBondContact O-CB 3.5Å; K178-S223 PolarHBondContact O-OG 3.04Å
179	H	98.4	Very high	96.2	Very high	59 Å²	59	68.5 Å²	68.5	27%	0.273	35%	0.345	S	S	.	.			trans	-55.3	130.8	177.5	-177.7	50	0	0	0	112.2	N174 Y225 T226 L256 G257	N174-H179 PolarHBondContact ND2-O 2.9Å; H179-Y225 HydrophobicContact CB-CE1 4.41Å; H179-T226 WeakPolarHBondContact CA-OG1 3.35Å; H179-T226 PolarHBondContact ND1-OG1 3.09Å; H179-L256 HydrophobicContact CB-CD1 4.08Å; H179-G257 PolarHBondContact NE2-O 2.91Å
180	L	98.6	Very high	96.2	Very high	14 Å²	14	66.2 Å²	66.2	7%	0.073	34%	0.342	C	S	.	.			trans	-151.3	124.8	166	175.7	71.2	0	0	0	106.4	F149 L168 L171 K178 T182 L222 S223 T226	F149-L180 HydrophobicContact CD1-CD2 3.78Å; F149-L180 HydrophobicContact CE1-CD2 3.72Å; L168-L180 HydrophobicContact CD2-CD2 3.49Å; L168-L180 VanDerWaalsContact CD2-CD2 3.49Å; L171-L180 HydrophobicContact CD1-CD1 3.92Å; L171-L180 HydrophobicContact CD1-CD2 3.77Å; L171-L180 HydrophobicContact CD1-CG 4.45Å; K178-L180 PolarHBondContact O-N 2.76Å; L180-T182 HydrophobicContact CD1-CG2 4.15Å; L180-L222 WeakPolarHBondContact O-CA 3Å; L180-L222 WeakPolarHBondContact O-CB 3.04Å; L180-S223 PolarHBondContact N-OG 3.01Å; L180-S223 PolarHBondContact O-N 2.98Å; L180-T226 PolarHBondContact N-OG1 3.19Å; L180-T226 VanDerWaalsContact N-OG1 3.09Å; L180-T226 WeakPolarHBondContact O-CB 3.29Å; L180-T226 PolarHBondContact O-OG1 3.47Å
181	F	98.6	Very high	96.3	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	104.4	167.7	-164.5	-79	0	0	0	107.5	C215 F220 L221 L222 T226 I230 M247 L251 P258 S259	F181-C215 HydrophobicContact CD1-CB 4.44Å; F181-C215 HydrophobicContact CE1-CB 3.78Å; F181-F220 HydrophobicContact CD2-CD2 4.39Å; F181-F220 HydrophobicContact CE1-CB 4.4Å; F181-F220 HydrophobicContact CE1-CD2 4.03Å; F181-F220 HydrophobicContact CE1-CE2 4.45Å; F181-F220 HydrophobicContact CE1-CG 4.07Å; F181-F220 AromaticContact CE2-CD2 3.65Å; F181-F220 HydrophobicContact CE2-CD2 3.65Å; F181-F220 AromaticContact CE2-CE2 3.5Å; F181-F220 HydrophobicContact CE2-CE2 3.5Å; F181-F220 HydrophobicContact CE2-CG 4.47Å; F181-F220 HydrophobicContact CE2-CZ 4.23Å; F181-F220 HydrophobicContact CZ-CD1 4.17Å; F181-F220 AromaticContact CZ-CD2 3.43Å; F181-F220 HydrophobicContact CZ-CD2 3.43Å; F181-F220 VanDerWaalsContact CZ-CD2 3.43Å; F181-F220 HydrophobicContact CZ-CE1 4.19Å; F181-F220 AromaticContact CZ-CE2 3.45Å; F181-F220 HydrophobicContact CZ-CE2 3.45Å; F181-F220 VanDerWaalsContact CZ-CE2 3.45Å; F181-F220 AromaticContact CZ-CG 3.82Å; F181-F220 HydrophobicContact CZ-CG 3.82Å; F181-F220 AromaticContact CZ-CZ 3.86Å; F181-F220 HydrophobicContact CZ-CZ 3.86Å; F181-L221 CarbonylContact C-O 3.4Å; F181-L221 WeakPolarHBondContact CA-O 3.41Å; F181-L222 HydrophobicContact CD2-CB 3.91Å; F181-L222 HydrophobicContact CD2-CD1 4.32Å; F181-L222 HydrophobicContact CE2-CB 4.49Å; F181-L222 HydrophobicContact CE2-CD1 4.31Å; F181-T226 HydrophobicContact CB-CG2 4.2Å; F181-T226 HydrophobicContact CD2-CG2 4.01Å; F181-I230 HydrophobicContact CD2-CD1 3.89Å; F181-I230 HydrophobicContact CE2-CD1 3.65Å; F181-M247 HydrophobicContact CE2-CB 4.17Å; F181-M247 HydrophobicContact CZ-CB 3.84Å; F181-M247 HydrophobicContact CZ-CG 4.48Å; F181-L251 HydrophobicContact CB-CD1 3.97Å; F181-L251 HydrophobicContact CD1-CD1 3.79Å; F181-L251 HydrophobicContact CD2-CD1 3.88Å; F181-L251 HydrophobicContact CD2-CD2 4.47Å; F181-L251 HydrophobicContact CE1-CD1 4.19Å; F181-L251 HydrophobicContact CE2-CD1 4.28Å; F181-L251 HydrophobicContact CG-CD1 3.61Å; F181-L251 HydrophobicContact CZ-CD1 4.42Å; F181-P258 HydrophobicContact CD1-CB 3.71Å; F181-P258 HydrophobicContact CE1-CB 4.3Å; F181-P258 CarbonylContact O-C 3.47Å; F181-P258 WeakPolarHBondContact O-CA 3.44Å; F181-S259 PolarHBondContact O-N 3.3Å; F181-S259 PolarHBondContact O-OG 3.03Å
182	T	98.2	Very high	96.4	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.2	-170.6	-159.5	0	0	0	0	112.7	Y167 L180 F220 L221 S259 H261	Y167-T182 HydrophobicContact CE1-CG2 3.83Å; L180-T182 HydrophobicContact CD1-CG2 4.15Å; T182-F220 WeakPolarHBondContact O-CA 3.5Å; T182-F220 WeakPolarHBondContact O-CB 3.17Å; T182-L221 HydrophobicContact CG2-CB 3.93Å; T182-L221 PolarHBondContact N-O 3.1Å; T182-L221 PolarHBondContact O-N 2.99Å; T182-S259 VanDerWaalsContact CA-O 3.29Å; T182-S259 WeakPolarHBondContact CA-O 3.49Å; T182-S259 WeakPolarHBondContact CB-OG 3.43Å; T182-S259 PolarHBondContact OG1-O 3.15Å; T182-S259 PolarHBondContact OG1-OG 2.87Å; T182-H261 HydrophobicContact CG2-CB 4.34Å; T182-H261 WeakPolarHBondContact OG1-CB 3.46Å
183	G	97.9	Very high	96.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-154.6	-174.3	0	0	0	0	0	112.1	L185 C215 S259 S260 H261	G183-L185 PolarHBondContact O-N 3.33Å; G183-C215 PolarHBondContact N-SG 3.23Å; G183-C215 VanDerWaalsContact N-SG 3.38Å; G183-S259 PolarHBondContact N-O 3.17Å; G183-S260 CarbonylContact O-C 3.5Å; G183-S260 WeakPolarHBondContact O-CA 3.1Å; G183-H261 PolarHBondContact O-N 3.33Å
184	H	97.4	Very high	97.1	Very high	65 Å²	65	54.9 Å²	54.9	30%	0.301	29%	0.292	S	S	.	.	S	Bend	trans	-79.4	96.5	169.5	-176.7	-171.8	0	0	0	109.3	I186 C215 G216 V264 T266	H184-I186 PolarHBondContact O-N 2.85Å; H184-C215 CarbonylContact O-C 3.6Å; H184-C215 VanDerWaalsContact O-CA 3.3Å; H184-C215 WeakPolarHBondContact O-CA 3.34Å; H184-G216 PolarHBondContact O-N 2.02Å; H184-V264 HydrophobicContact CB-CG1 4.27Å; H184-T266 HydrophobicContact CB-CG2 3.66Å; H184-T266 PolarHBondContact ND1-OG1 3.05Å
185	L	97.8	Very high	97.1	Very high	35 Å²	35	59 Å²	59	18%	0.183	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.2	-178.3	179.4	59.5	0	0	0	111.7	G183 Q187 P213 P258	G183-L185 PolarHBondContact O-N 3.33Å; L185-Q187 HydrophobicContact CD1-CG 3.87Å; L185-Q187 HydrophobicContact CD2-CG 4.26Å; L185-Q187 HydrophobicContact CG-CG 3.85Å; L185-P213 HydrophobicContact CD1-CB 4.22Å; L185-P258 HydrophobicContact CD1-CB 4.07Å; L185-P258 HydrophobicContact CD1-CG 3.56Å
186	I	97.3	Very high	97.1	Very high	42 Å²	42	55.5 Å²	55.5	22%	0.215	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.7	173.8	-58	177.4	0	0	0	108.3	H184 V189 Y214	H184-I186 PolarHBondContact O-N 2.85Å; I186-V189 HydrophobicContact CG2-CB 4.38Å; I186-V189 HydrophobicContact CG2-CG1 3.91Å; I186-V189 HydrophobicContact CG2-CG2 3.55Å; I186-Y214 HydrophobicContact CB-CD1 4.38Å; I186-Y214 HydrophobicContact CB-CE1 3.95Å; I186-Y214 HydrophobicContact CB-CE2 4.19Å; I186-Y214 HydrophobicContact CD1-CE2 3.79Å; I186-Y214 HydrophobicContact CG1-CE2 4.46Å; I186-Y214 HydrophobicContact CG2-CE1 3.79Å; I186-Y214 PolarHBondContact N-O 3.2Å; I186-Y214 PolarHBondContact O-N 2.91Å; I186-Y214 VanDerWaalsContact O-N 3.17Å
187	Q	97.3	Very high	97.2	Very high	101 Å²	101	56.7 Å²	56.7	47%	0.472	33%	0.333	S	S	.	.			trans	-141.4	162.1	-176.7	-64.2	-179.2	-73.5	0	0	110.4	L185 V189 P213	L185-Q187 HydrophobicContact CD1-CG 3.87Å; L185-Q187 HydrophobicContact CD2-CG 4.26Å; L185-Q187 HydrophobicContact CG-CG 3.85Å; Q187-V189 PolarHBondContact O-N 3.32Å; Q187-P213 HydrophobicContact CG-CB 3.89Å; Q187-P213 HydrophobicContact CG-CG 4.1Å
188	N	96.8	Very high	97.1	Very high	167 Å²	167	58.8 Å²	58.8	89%	0.893	33%	0.332	S	S	*	.	S	Bend	trans	58.3	33.9	175.8	-51.1	-35.9	0	0	0	113.4
189	V	97.4	Very high	97	Very high	57 Å²	57	59.4 Å²	59.4	35%	0.345	33%	0.332	S	S	.	.			trans	-120.5	168.9	176.3	-60.7	0	0	0	0	110.9	I186 Q187 Y211 Y214	I186-V189 HydrophobicContact CG2-CB 4.38Å; I186-V189 HydrophobicContact CG2-CG1 3.91Å; I186-V189 HydrophobicContact CG2-CG2 3.55Å; Q187-V189 PolarHBondContact O-N 3.32Å; V189-Y211 PolarHBondContact O-N 3.18Å; V189-Y214 HydrophobicContact CG2-CE1 3.73Å
190	G	97.7	Very high	97	Very high	26 Å²	26	57.2 Å²	57.2	27%	0.268	32%	0.322	S	S	.	.			trans	-142.6	-178	178.4	0	0	0	0	0	113.5	I192 N209 Y211	G190-I192 PolarHBondContact O-N 2.78Å; G190-N209 WeakPolarHBondContact CA-O 3.18Å; G190-Y211 VanDerWaalsContact C-CE2 3.48Å
191	P	97.9	Very high	97	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.084	32%	0.318	C	S	.	.			trans	-56.5	132.1	176	-21.2	30.1	0	0	0	112.5	R193 V201 Q206 S208 Y211	P191-R193 VanDerWaalsContact CB-CZ 3.48Å; P191-R193 PolarHBondContact O-N 3.32Å; P191-V201 HydrophobicContact CB-CB 4.01Å; P191-V201 HydrophobicContact CB-CG1 4.19Å; P191-Q206 HydrophobicContact CG-CB 4.3Å; P191-Q206 HydrophobicContact CG-CG 3.89Å; P191-S208 WeakPolarHBondContact CG-O 3.13Å; P191-Y211 WeakPolarHBondContact CA-OH 3.49Å; P191-Y211 HydrophobicContact CB-CE1 4.38Å; P191-Y211 HydrophobicContact CB-CE2 4.34Å; P191-Y211 WeakPolarHBondContact CB-OH 3.31Å; P191-Y211 HydrophobicContact CG-CD1 4.32Å; P191-Y211 HydrophobicContact CG-CE1 3.61Å; P191-Y211 HydrophobicContact CG-CE2 4.19Å
192	I	97.8	Very high	97	Very high	76 Å²	76	56.8 Å²	56.8	39%	0.39	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-75.5	119.6	170.8	-67.5	164.4	0	0	0	108.2	G190 A194 F200 V201	G190-I192 PolarHBondContact O-N 2.78Å; I192-A194 HydrophobicContact CG2-CB 4.07Å; I192-F200 CarbonylContact O-C 3.53Å; I192-F200 WeakPolarHBondContact O-CA 3.43Å; I192-F200 WeakPolarHBondContact O-CD2 3.17Å; I192-V201 PolarHBondContact O-N 3.14Å
193	R	97.2	Very high	96.9	Very high	76 Å²	76	60.2 Å²	60.2	29%	0.287	34%	0.341	S	S	.	.			trans	-94.5	1	-178.7	-51.2	-54.9	-168	178.5	4.6	114	P191 T195 F200 V201 P202 Q206 E207 S208 N209	P191-R193 VanDerWaalsContact CB-CZ 3.48Å; P191-R193 PolarHBondContact O-N 3.32Å; R193-T195 PolarHBondContact O-N 3.13Å; R193-F200 VanDerWaalsContact O-CE2 3.24Å; R193-F200 WeakPolarHBondContact O-CE2 3.27Å; R193-V201 WeakPolarHBondContact CD-O 3.29Å; R193-V201 PolarHBondContact NH1-O 3.49Å; R193-P202 PolarHBondContact NH1-O 3.02Å; R193-P202 VanDerWaalsContact NH1-O 3.09Å; R193-Q206 PolarHBondContact NH1-O 3.08Å; R193-Q206 PolarHBondContact NH2-O 2.86Å; R193-E207 PolarHBondContact NH2-O 3.2Å; R193-S208 PolarHBondContact NH2-O 3.28Å; R193-S208 VanDerWaalsContact NH2-O 3.13Å; R193-N209 PolarHBondContact NH2-OD1 3.24Å; R193-N209 VanDerWaalsContact NH2-OD1 3.14Å
194	A	96.9	Very high	96.9	Very high	59 Å²	59	62.6 Å²	62.6	49%	0.488	35%	0.352	S	S	.	.			trans	-79.3	117.2	175.3	0	0	0	0	0	110.4	I192 G196 S197 F200	I192-A194 HydrophobicContact CG2-CB 4.07Å; A194-G196 PolarHBondContact O-N 3.22Å; A194-S197 WeakPolarHBondContact O-CB 3.37Å; A194-S197 PolarHBondContact O-N 2.97Å; A194-F200 WeakPolarHBondContact O-CB 3.32Å; A194-F200 WeakPolarHBondContact O-CD2 3.18Å
195	T	93.6	Very high	96.9	Very high	102 Å²	102	59.8 Å²	59.8	63%	0.626	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.5	-175.9	49.8	0	0	0	0	114.1	R193 S197 F200	R193-T195 PolarHBondContact O-N 3.13Å; T195-S197 VanDerWaalsContact C-N 3.26Å; T195-S197 PolarHBondContact O-N 3.11Å; T195-F200 HydrophobicContact CG2-CD2 4.43Å; T195-F200 HydrophobicContact CG2-CE1 4.08Å; T195-F200 HydrophobicContact CG2-CE2 3.87Å; T195-F200 HydrophobicContact CG2-CZ 3.65Å
196	G	93.9	Very high	96.9	Very high	82 Å²	82	59.9 Å²	59.9	85%	0.845	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.2	175.9	0	0	0	0	0	114.8	A194	A194-G196 PolarHBondContact O-N 3.22Å
197	S	96.4	Very high	96.8	Very high	33 Å²	33	65.9 Å²	65.9	23%	0.231	37%	0.366	C	S	.	.	S	Bend	trans	-82.2	136.1	178.4	-177.7	0	0	0	0	111.3	A194 T195 Y199 F200	A194-S197 WeakPolarHBondContact O-CB 3.37Å; A194-S197 PolarHBondContact O-N 2.97Å; T195-S197 VanDerWaalsContact C-N 3.26Å; T195-S197 PolarHBondContact O-N 3.11Å; S197-Y199 PolarHBondContact O-N 3.34Å; S197-Y199 VanDerWaalsContact O-N 3.11Å; S197-Y199 PolarHBondContact OG-N 2.92Å; S197-Y199 VanDerWaalsContact OG-N 3.13Å; S197-F200 WeakPolarHBondContact O-CB 3.24Å; S197-F200 PolarHBondContact O-N 2.78Å
198	K	94.3	Very high	96.8	Very high	125 Å²	125	63.6 Å²	63.6	54%	0.543	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.9	167.1	179.6	-179.4	175.1	-172.1	0	112.1	F126 F200	F126-K198 HydrophobicContact CD1-CG 3.93Å; F126-K198 HydrophobicContact CE1-CG 3.92Å; F126-K198 VanDerWaalsContact CE1-O 3.29Å; F126-K198 WeakPolarHBondContact CE1-O 3.47Å; F126-K198 HydrophobicContact CE2-CD 4.48Å; F126-K198 VanDerWaalsContact CG-CE 3.47Å; F126-K198 HydrophobicContact CG-CG 4.35Å; F126-K198 HydrophobicContact CZ-CG 4.3Å; K198-F200 VanDerWaalsContact C-N 3.33Å
199	Y	96.7	Very high	96.8	Very high	113 Å²	113	61.6 Å²	61.6	44%	0.443	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	18	-178.7	-56	-78.1	0	0	0	112.8	F126 S197 V201 I242	F126-Y199 HydrophobicContact CE1-CD1 4.15Å; F126-Y199 HydrophobicContact CE1-CE1 4.43Å; F126-Y199 HydrophobicContact CE2-CE1 4.31Å; F126-Y199 AromaticContact CZ-CD1 3.69Å; F126-Y199 HydrophobicContact CZ-CD1 3.69Å; F126-Y199 AromaticContact CZ-CE1 3.59Å; F126-Y199 HydrophobicContact CZ-CE1 3.59Å; S197-Y199 PolarHBondContact O-N 3.34Å; S197-Y199 VanDerWaalsContact O-N 3.11Å; S197-Y199 PolarHBondContact OG-N 2.92Å; S197-Y199 VanDerWaalsContact OG-N 3.13Å; Y199-V201 PolarHBondContact O-N 3.24Å; Y199-I242 HydrophobicContact CD1-CD1 4.32Å
200	F	97.9	Very high	96.8	Very high	13 Å²	13	62.3 Å²	62.3	6%	0.057	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-58.1	126.7	178.3	175.1	-119.1	0	0	0	111.3	P17 I20 Y127 I192 R193 A194 T195 S197 K198 P202	P17-F200 HydrophobicContact CG-CD1 4.29Å; P17-F200 HydrophobicContact CG-CE1 3.89Å; I20-F200 HydrophobicContact CD1-CD1 4.26Å; I20-F200 HydrophobicContact CG1-CD1 4.06Å; I20-F200 HydrophobicContact CG1-CE1 4.04Å; Y127-F200 PolarHBondContact OH-O 2.87Å; I192-F200 CarbonylContact O-C 3.53Å; I192-F200 WeakPolarHBondContact O-CA 3.43Å; I192-F200 WeakPolarHBondContact O-CD2 3.17Å; R193-F200 VanDerWaalsContact O-CE2 3.24Å; R193-F200 WeakPolarHBondContact O-CE2 3.27Å; A194-F200 WeakPolarHBondContact O-CB 3.32Å; A194-F200 WeakPolarHBondContact O-CD2 3.18Å; T195-F200 HydrophobicContact CG2-CD2 4.43Å; T195-F200 HydrophobicContact CG2-CE1 4.08Å; T195-F200 HydrophobicContact CG2-CE2 3.87Å; T195-F200 HydrophobicContact CG2-CZ 3.65Å; S197-F200 WeakPolarHBondContact O-CB 3.24Å; S197-F200 PolarHBondContact O-N 2.78Å; K198-F200 VanDerWaalsContact C-N 3.33Å; F200-P202 HydrophobicContact CE1-CB 4.13Å; F200-P202 HydrophobicContact CE1-CG 4.03Å; F200-P202 HydrophobicContact CE2-CB 4.27Å; F200-P202 HydrophobicContact CZ-CB 3.66Å; F200-P202 HydrophobicContact CZ-CG 4.08Å
201	V	98.3	Very high	96.9	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.349	C	S	.	.			trans	-136.8	111.7	173.7	175.4	0	0	0	0	107.8	P191 I192 R193 Y199 V205 Q206 Y211 L240 P241 I242	P191-V201 HydrophobicContact CB-CB 4.01Å; P191-V201 HydrophobicContact CB-CG1 4.19Å; I192-V201 PolarHBondContact O-N 3.14Å; R193-V201 WeakPolarHBondContact CD-O 3.29Å; R193-V201 PolarHBondContact NH1-O 3.49Å; Y199-V201 PolarHBondContact O-N 3.24Å; V201-V205 HydrophobicContact CG1-CB 3.95Å; V201-V205 HydrophobicContact CG1-CG1 3.8Å; V201-Q206 HydrophobicContact CG1-CB 3.95Å; V201-Y211 WeakPolarHBondContact CG2-OH 3.33Å; V201-L240 HydrophobicContact CG1-CD1 4.34Å; V201-P241 HydrophobicContact CG2-CG 3.98Å; V201-I242 HydrophobicContact CG2-CD1 4.08Å; V201-I242 HydrophobicContact CG2-CG1 3.75Å
202	P	97.8	Very high	96.9	Very high	7 Å²	7	62.8 Å²	62.8	5%	0.045	35%	0.354	C	S	.	.			trans	-80.7	167	-178.3	29.9	-30.8	0	0	0	112.6	L16 I20 R193 F200 Q204 V205 Q206	L16-P202 HydrophobicContact CD2-CB 3.93Å; L16-P202 HydrophobicContact CD2-CG 3.9Å; I20-P202 HydrophobicContact CD1-CG 4.19Å; I20-P202 HydrophobicContact CG1-CG 4.36Å; I20-P202 HydrophobicContact CG2-CG 3.76Å; R193-P202 PolarHBondContact NH1-O 3.02Å; R193-P202 VanDerWaalsContact NH1-O 3.09Å; F200-P202 HydrophobicContact CE1-CB 4.13Å; F200-P202 HydrophobicContact CE1-CG 4.03Å; F200-P202 HydrophobicContact CE2-CB 4.27Å; F200-P202 HydrophobicContact CZ-CB 3.66Å; F200-P202 HydrophobicContact CZ-CG 4.08Å; P202-Q204 PolarHBondContact O-N 2.77Å; P202-V205 HydrophobicContact CG-CB 4.44Å; P202-V205 HydrophobicContact CG-CG2 3.94Å; P202-V205 PolarHBondContact O-N 2.83Å; P202-Q206 PolarHBondContact O-N 2.88Å; P202-Q206 VanDerWaalsContact O-N 3.13Å
203	V	97.7	Very high	96.9	Very high	73 Å²	73	61.6 Å²	61.6	44%	0.442	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.1	-178.6	-65.1	0	0	0	0	112.3	V205 Q206 E207	V203-V205 PolarHBondContact O-N 3.42Å; V203-Q206 WeakPolarHBondContact CA-O 3.35Å; V203-Q206 CarbonylContact O-C 3.6Å; V203-Q206 VanDerWaalsContact O-C 3.23Å; V203-Q206 PolarHBondContact O-N 2.65Å; V203-E207 WeakPolarHBondContact O-CG 3.45Å; V203-E207 PolarHBondContact O-N 3.45Å
204	Q	97.2	Very high	97	Very high	50 Å²	50	59.5 Å²	59.5	23%	0.234	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.2	174.8	-69	82.5	-4.3	0	0	113.5	I10 T11 L16 L24 P202	I10-Q204 HydrophobicContact CG2-CB 3.79Å; I10-Q204 HydrophobicContact CG2-CG 3.42Å; I10-Q204 VanDerWaalsContact CG2-CG 3.42Å; T11-Q204 WeakPolarHBondContact O-CG 3.28Å; T11-Q204 PolarHBondContact O-NE2 2.74Å; L16-Q204 HydrophobicContact CD1-CB 4.2Å; L16-Q204 HydrophobicContact CD1-CG 4.19Å; L24-Q204 HydrophobicContact CD1-CB 4.42Å; P202-Q204 PolarHBondContact O-N 2.77Å
205	V	97.4	Very high	97	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.03	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-44.2	177.1	172.6	0	0	0	0	110.6	I20 F23 L24 R27 V201 P202 V203 L240 P241	I20-V205 HydrophobicContact CG2-CG2 4.16Å; F23-V205 HydrophobicContact CD1-CG2 4.24Å; F23-V205 HydrophobicContact CE1-CG1 3.94Å; F23-V205 HydrophobicContact CE1-CG2 4.32Å; L24-V205 HydrophobicContact CD2-CG2 3.85Å; L24-V205 HydrophobicContact CG-CG2 4.2Å; R27-V205 PolarHBondContact NH1-O 3.12Å; R27-V205 VanDerWaalsContact NH1-O 3.16Å; R27-V205 PolarHBondContact NH2-O 2.67Å; V201-V205 HydrophobicContact CG1-CB 3.95Å; V201-V205 HydrophobicContact CG1-CG1 3.8Å; P202-V205 HydrophobicContact CG-CB 4.44Å; P202-V205 HydrophobicContact CG-CG2 3.94Å; P202-V205 PolarHBondContact O-N 2.83Å; V203-V205 PolarHBondContact O-N 3.42Å; V205-L240 HydrophobicContact CG1-CD1 4.08Å; V205-P241 HydrophobicContact CG1-CG 4.23Å
206	Q	97	Very high	96.9	Very high	37 Å²	37	51.9 Å²	51.9	17%	0.173	29%	0.291	C	S	.	.			trans	-142.9	108.4	179.8	178.9	70.3	-9.4	0	0	109.7	P191 R193 V201 P202 V203 Y211 L240	P191-Q206 HydrophobicContact CG-CB 4.3Å; P191-Q206 HydrophobicContact CG-CG 3.89Å; R193-Q206 PolarHBondContact NH1-O 3.08Å; R193-Q206 PolarHBondContact NH2-O 2.86Å; V201-Q206 HydrophobicContact CG1-CB 3.95Å; P202-Q206 PolarHBondContact O-N 2.88Å; P202-Q206 VanDerWaalsContact O-N 3.13Å; V203-Q206 WeakPolarHBondContact CA-O 3.35Å; V203-Q206 CarbonylContact O-C 3.6Å; V203-Q206 VanDerWaalsContact O-C 3.23Å; V203-Q206 PolarHBondContact O-N 2.65Å; Q206-Y211 HydrophobicContact CG-CE1 4.05Å; Q206-L240 HydrophobicContact CB-CD1 4.19Å
207	E	96.3	Very high	96.3	Very high	169 Å²	169	49 Å²	49	79%	0.79	26%	0.261	S	S	*	.			trans	-70.3	-42.4	-178.4	-66.8	178.7	-179.1	0	0	112	R193 V203	R193-E207 PolarHBondContact NH2-O 3.2Å; V203-E207 WeakPolarHBondContact O-CG 3.45Å; V203-E207 PolarHBondContact O-N 3.45Å
208	S	96.6	Very high	96.1	Very high	53 Å²	53	47.5 Å²	47.5	37%	0.371	25%	0.251	S	S	.	.	S	Bend	trans	-57	140.5	177	-179	0	0	0	0	111.5	P191 R193 S210	P191-S208 WeakPolarHBondContact CG-O 3.13Å; R193-S208 PolarHBondContact NH2-O 3.28Å; R193-S208 VanDerWaalsContact NH2-O 3.13Å; S208-S210 VanDerWaalsContact C-N 3.26Å; S208-S210 PolarHBondContact OG-N 3.45Å; S208-S210 VanDerWaalsContact OG-N 3.1Å; S208-S210 PolarHBondContact OG-O 3.38Å; S208-S210 PolarHBondContact OG-OG 3.11Å; S208-S210 VanDerWaalsContact OG-OG 3.11Å
209	N	97.4	Very high	96.2	Very high	125 Å²	125	41.6 Å²	41.6	67%	0.668	23%	0.226	S	C	*	.	S	Bend	trans	-87.5	8.2	173	-69.1	-35.5	0	0	0	113.2	G190 R193	G190-N209 WeakPolarHBondContact CA-O 3.18Å; R193-N209 PolarHBondContact NH2-OD1 3.24Å; R193-N209 VanDerWaalsContact NH2-OD1 3.14Å
210	S	97.8	Very high	96.3	Very high	71 Å²	71	36.3 Å²	36.3	50%	0.497	21%	0.205	S	C	.	.			trans	-128.2	148.2	177.1	62.4	0	0	0	0	111.9	S208	S208-S210 VanDerWaalsContact C-N 3.26Å; S208-S210 PolarHBondContact OG-N 3.45Å; S208-S210 VanDerWaalsContact OG-N 3.1Å; S208-S210 PolarHBondContact OG-O 3.38Å; S208-S210 PolarHBondContact OG-OG 3.11Å; S208-S210 VanDerWaalsContact OG-OG 3.11Å
211	Y	98.3	Very high	96.3	Very high	21 Å²	21	35.8 Å²	35.8	8%	0.082	20%	0.203	C	C	.	.			trans	-104.9	149.6	166.5	-68.7	-40.7	0	0	0	110.8	V189 G190 P191 V201 Q206 L240 V245	V189-Y211 PolarHBondContact O-N 3.18Å; G190-Y211 VanDerWaalsContact C-CE2 3.48Å; P191-Y211 WeakPolarHBondContact CA-OH 3.49Å; P191-Y211 HydrophobicContact CB-CE1 4.38Å; P191-Y211 HydrophobicContact CB-CE2 4.34Å; P191-Y211 WeakPolarHBondContact CB-OH 3.31Å; P191-Y211 HydrophobicContact CG-CD1 4.32Å; P191-Y211 HydrophobicContact CG-CE1 3.61Å; P191-Y211 HydrophobicContact CG-CE2 4.19Å; V201-Y211 WeakPolarHBondContact CG2-OH 3.33Å; Q206-Y211 HydrophobicContact CG-CE1 4.05Å; Y211-L240 HydrophobicContact CE1-CD2 4.06Å; Y211-V245 HydrophobicContact CD1-CG1 3.43Å; Y211-V245 VanDerWaalsContact CD1-CG1 3.43Å; Y211-V245 HydrophobicContact CD2-CG1 3.94Å; Y211-V245 HydrophobicContact CD2-CG2 3.87Å; Y211-V245 HydrophobicContact CE1-CG1 3.74Å; Y211-V245 HydrophobicContact CE2-CG1 4.23Å; Y211-V245 HydrophobicContact CE2-CG2 3.98Å; Y211-V245 HydrophobicContact CG-CG1 3.52Å; Y211-V245 HydrophobicContact CG-CG2 4.29Å
212	P	98	Very high	96.3	Very high	29 Å²	29	36 Å²	36	19%	0.188	20%	0.204	C	C	.	.			trans	-64.1	159.1	166.1	29.7	-33.9	0	0	0	110.1	Y214 M249 A252	P212-Y214 WeakPolarHBondContact O-CD1 3.2Å; P212-Y214 PolarHBondContact O-N 2.9Å; P212-M249 HydrophobicContact CG-CB 4.4Å; P212-M249 HydrophobicContact CG-CG 3.81Å; P212-A252 HydrophobicContact CB-CB 3.85Å; P212-A252 HydrophobicContact CG-CB 4.41Å
213	P	98.4	Very high	96.4	Very high	51 Å²	51	35.6 Å²	35.6	33%	0.331	20%	0.201	S	C	.	.			trans	-50.2	135.2	170.6	-29.6	37.8	0	0	0	112.2	L185 Q187 P258	L185-P213 HydrophobicContact CD1-CB 4.22Å; Q187-P213 HydrophobicContact CG-CB 3.89Å; Q187-P213 HydrophobicContact CG-CG 4.1Å; P213-P258 HydrophobicContact CB-CG 3.84Å; P213-P258 WeakPolarHBondContact O-CD 3.31Å; P213-P258 WeakPolarHBondContact O-CG 3.42Å
214	Y	98.4	Very high	96.4	Very high	31 Å²	31	32.3 Å²	32.3	12%	0.122	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	161.2	178.3	68.8	-81.4	0	0	0	110.8	I186 V189 P212 D244 V245	I186-Y214 HydrophobicContact CB-CD1 4.38Å; I186-Y214 HydrophobicContact CB-CE1 3.95Å; I186-Y214 HydrophobicContact CB-CE2 4.19Å; I186-Y214 HydrophobicContact CD1-CE2 3.79Å; I186-Y214 HydrophobicContact CG1-CE2 4.46Å; I186-Y214 HydrophobicContact CG2-CE1 3.79Å; I186-Y214 PolarHBondContact N-O 3.2Å; I186-Y214 PolarHBondContact O-N 2.91Å; I186-Y214 VanDerWaalsContact O-N 3.17Å; V189-Y214 HydrophobicContact CG2-CE1 3.73Å; P212-Y214 WeakPolarHBondContact O-CD1 3.2Å; P212-Y214 PolarHBondContact O-N 2.9Å; Y214-D244 WeakPolarHBondContact CB-O 3.37Å; Y214-D244 HydrophobicContact CD2-CB 3.77Å; Y214-D244 HydrophobicContact CE2-CB 4.12Å; Y214-V245 HydrophobicContact CD1-CG2 3.99Å; Y214-V245 HydrophobicContact CD2-CG2 4.06Å; Y214-V245 HydrophobicContact CE1-CG2 3.77Å; Y214-V245 HydrophobicContact CE2-CG2 3.83Å; Y214-V245 HydrophobicContact CG-CG2 4.14Å
215	C	97.9	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.6	168.6	-66.2	0	0	0	0	109	F181 G183 H184 F220 D244	F181-C215 HydrophobicContact CD1-CB 4.44Å; F181-C215 HydrophobicContact CE1-CB 3.78Å; G183-C215 PolarHBondContact N-SG 3.23Å; G183-C215 VanDerWaalsContact N-SG 3.38Å; H184-C215 CarbonylContact O-C 3.6Å; H184-C215 VanDerWaalsContact O-CA 3.3Å; H184-C215 WeakPolarHBondContact O-CA 3.34Å; C215-F220 HydrophobicContact CB-CB 3.95Å; C215-F220 HydrophobicContact CB-CD1 4.35Å; C215-F220 HydrophobicContact CB-CG 4.4Å; C215-D244 WeakPolarHBondContact O-CB 3.47Å
216	G	90.5	Very high	96.6	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	19%	0.19	C	C	.	.			trans	-65.2	162.1	177.7	0	0	0	0	0	113.7	H184	H184-G216 PolarHBondContact O-N 2.02Å
217	G	83.1	Confident	96.6	Very high	20 Å²	20	33 Å²	33	21%	0.206	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-172.1	-173.6	0	0	0	0	0	115.8	G219 D244 T266	G217-G219 PolarHBondContact O-N 3.45Å; G217-D244 WeakPolarHBondContact CA-OD2 3.22Å; G217-D244 PolarHBondContact N-OD2 3.09Å; G217-T266 WeakPolarHBondContact O-CB 3.35Å; G217-T266 WeakPolarHBondContact O-CG2 3.38Å
218	G	91.7	Very high	96.7	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.021	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-52.7	-165.1	0	0	0	0	0	111.6	G153 D154 V157	G153-G218 CarbonylContact C-O 3.17Å; G153-G218 WeakPolarHBondContact CA-O 3.45Å; D154-G218 PolarHBondContact N-O 2.85Å; D154-G218 VanDerWaalsContact OD2-CA 3.24Å; D154-G218 WeakPolarHBondContact OD2-CA 3.5Å; D154-G218 PolarHBondContact OD2-N 3.29Å; V157-G218 VanDerWaalsContact CG1-O 3.26Å; V157-G218 WeakPolarHBondContact CG1-O 3.26Å
219	G	96.1	Very high	96.8	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164	165.2	163.6	0	0	0	0	0	117.2	N152 G217 V264	N152-G219 CarbonylContact O-C 3.55Å; N152-G219 WeakPolarHBondContact O-CA 3.47Å; G217-G219 PolarHBondContact O-N 3.45Å; G219-V264 WeakPolarHBondContact O-CG1 3.43Å
220	F	98.3	Very high	96.9	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.1	179.7	50.4	-97.7	0	0	0	111.5	N152 F181 T182 C215 L222 M247	N152-F220 HydrophobicContact CB-CD2 3.94Å; N152-F220 HydrophobicContact CB-CE1 4.3Å; N152-F220 HydrophobicContact CB-CE2 3.43Å; N152-F220 VanDerWaalsContact CB-CE2 3.43Å; N152-F220 HydrophobicContact CB-CZ 3.63Å; N152-F220 PolarHBondContact N-O 3.39Å; N152-F220 PolarHBondContact O-N 2.65Å; F181-F220 HydrophobicContact CD2-CD2 4.39Å; F181-F220 HydrophobicContact CE1-CB 4.4Å; F181-F220 HydrophobicContact CE1-CD2 4.03Å; F181-F220 HydrophobicContact CE1-CE2 4.45Å; F181-F220 HydrophobicContact CE1-CG 4.07Å; F181-F220 AromaticContact CE2-CD2 3.65Å; F181-F220 HydrophobicContact CE2-CD2 3.65Å; F181-F220 AromaticContact CE2-CE2 3.5Å; F181-F220 HydrophobicContact CE2-CE2 3.5Å; F181-F220 HydrophobicContact CE2-CG 4.47Å; F181-F220 HydrophobicContact CE2-CZ 4.23Å; F181-F220 HydrophobicContact CZ-CD1 4.17Å; F181-F220 AromaticContact CZ-CD2 3.43Å; F181-F220 HydrophobicContact CZ-CD2 3.43Å; F181-F220 VanDerWaalsContact CZ-CD2 3.43Å; F181-F220 HydrophobicContact CZ-CE1 4.19Å; F181-F220 AromaticContact CZ-CE2 3.45Å; F181-F220 HydrophobicContact CZ-CE2 3.45Å; F181-F220 VanDerWaalsContact CZ-CE2 3.45Å; F181-F220 AromaticContact CZ-CG 3.82Å; F181-F220 HydrophobicContact CZ-CG 3.82Å; F181-F220 AromaticContact CZ-CZ 3.86Å; F181-F220 HydrophobicContact CZ-CZ 3.86Å; T182-F220 WeakPolarHBondContact O-CA 3.5Å; T182-F220 WeakPolarHBondContact O-CB 3.17Å; C215-F220 HydrophobicContact CB-CB 3.95Å; C215-F220 HydrophobicContact CB-CD1 4.35Å; C215-F220 HydrophobicContact CB-CG 4.4Å; F220-L222 HydrophobicContact CD2-CD2 3.95Å; F220-L222 HydrophobicContact CE2-CD1 4.45Å; F220-L222 HydrophobicContact CE2-CD2 3.93Å; F220-M247 HydrophobicContact CZ-CG 4.05Å
221	L	98.7	Very high	96.9	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.8	174.1	-70.7	173.7	0	0	0	110.2	L53 L150 L151 M164 Y167 L168 F181 T182 L288	L53-L221 HydrophobicContact CD1-CD2 4.29Å; L150-L221 WeakPolarHBondContact O-CA 3.4Å; L151-L221 HydrophobicContact CB-CD2 4.02Å; L151-L221 HydrophobicContact CD1-CD2 4.06Å; M164-L221 HydrophobicContact CB-CD1 4.34Å; M164-L221 HydrophobicContact CB-CD2 4.46Å; M164-L221 HydrophobicContact CG-CD1 4.2Å; M164-L221 HydrophobicContact CG-CD2 4.34Å; M164-L221 HydrophobicContact SD-CD2 3.98Å; Y167-L221 HydrophobicContact CD1-CD1 3.8Å; Y167-L221 HydrophobicContact CE1-CD1 4.04Å; L168-L221 HydrophobicContact CD1-CD2 4.45Å; L168-L221 HydrophobicContact CD2-CD1 4.43Å; F181-L221 CarbonylContact C-O 3.4Å; F181-L221 WeakPolarHBondContact CA-O 3.41Å; T182-L221 HydrophobicContact CG2-CB 3.93Å; T182-L221 PolarHBondContact N-O 3.1Å; T182-L221 PolarHBondContact O-N 2.99Å; L221-L288 HydrophobicContact CD1-CD1 3.94Å
222	L	98.7	Very high	96.9	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.3	175.7	68	168.2	0	0	0	112.2	F149 L150 N152 L180 F181 F220 A227 I230	F149-L222 CarbonylContact C-O 3.56Å; F149-L222 WeakPolarHBondContact CA-O 3.32Å; L150-L222 HydrophobicContact CB-CD2 3.52Å; L150-L222 HydrophobicContact CB-CG 4.02Å; L150-L222 PolarHBondContact N-O 3.08Å; L150-L222 PolarHBondContact O-N 3.25Å; N152-L222 HydrophobicContact CB-CD2 4.17Å; L180-L222 WeakPolarHBondContact O-CA 3Å; L180-L222 WeakPolarHBondContact O-CB 3.04Å; F181-L222 HydrophobicContact CD2-CB 3.91Å; F181-L222 HydrophobicContact CD2-CD1 4.32Å; F181-L222 HydrophobicContact CE2-CB 4.49Å; F181-L222 HydrophobicContact CE2-CD1 4.31Å; F220-L222 HydrophobicContact CD2-CD2 3.95Å; F220-L222 HydrophobicContact CE2-CD1 4.45Å; F220-L222 HydrophobicContact CE2-CD2 3.93Å; L222-A227 HydrophobicContact CD1-CB 3.76Å; L222-A227 HydrophobicContact CG-CB 4.47Å; L222-I230 HydrophobicContact CD1-CD1 4.31Å
223	S	98.8	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	154	168.6	58.9	0	0	0	0	111.2	R148 K178 L180 Y225 T226 A227	R148-S223 CarbonylContact O-C 3.5Å; R148-S223 WeakPolarHBondContact O-CA 3.39Å; K178-S223 VanDerWaalsContact O-CB 3.22Å; K178-S223 WeakPolarHBondContact O-CB 3.5Å; K178-S223 PolarHBondContact O-OG 3.04Å; L180-S223 PolarHBondContact N-OG 3.01Å; L180-S223 PolarHBondContact O-N 2.98Å; S223-Y225 VanDerWaalsContact C-N 3.27Å; S223-Y225 PolarHBondContact O-N 3Å; S223-T226 PolarHBondContact O-N 2.69Å; S223-T226 VanDerWaalsContact O-N 3.09Å; S223-T226 WeakPolarHBondContact OG-CB 3.44Å; S223-T226 PolarHBondContact OG-N 3.15Å; S223-T226 PolarHBondContact OG-OG1 2.64Å; S223-A227 PolarHBondContact O-N 3.02Å
224	G	98.5	Very high	96.9	Very high	4 Å²	4	20 Å²	20	4%	0.041	9%	0.092	C	C	.	.	H	α-helix	trans	-55.5	-40.1	169.3	0	0	0	0	0	113	A147 R148 T226 A227 M228	A147-G224 WeakPolarHBondContact O-CA 3.47Å; R148-G224 PolarHBondContact O-N 3.42Å; G224-T226 PolarHBondContact O-N 3.35Å; G224-A227 WeakPolarHBondContact O-CB 3.41Å; G224-A227 PolarHBondContact O-N 3.45Å; G224-M228 PolarHBondContact O-N 2.81Å
225	Y	98.4	Very high	96.9	Very high	106 Å²	106	24.1 Å²	24.1	42%	0.416	11%	0.11	S	C	.	.	H	α-helix	trans	-52.6	-51.4	172.2	171.1	-93.7	0	0	0	112.3	G176 S177 H179 S223 A227 M228 L229	G176-Y225 VanDerWaalsContact O-CB 3.31Å; G176-Y225 WeakPolarHBondContact O-CB 3.42Å; G176-Y225 PolarHBondContact O-N 3.29Å; S177-Y225 WeakPolarHBondContact O-CD2 3.44Å; H179-Y225 HydrophobicContact CB-CE1 4.41Å; S223-Y225 VanDerWaalsContact C-N 3.27Å; S223-Y225 PolarHBondContact O-N 3Å; Y225-A227 PolarHBondContact O-N 3.36Å; Y225-M228 PolarHBondContact O-N 3.26Å; Y225-L229 HydrophobicContact CE1-CD2 4.3Å; Y225-L229 WeakPolarHBondContact O-CB 3.44Å; Y225-L229 PolarHBondContact O-N 3.19Å
226	T	98.8	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-37.4	-178.9	-56.7	0	0	0	0	111.8	H179 L180 F181 S223 G224 L229 I230 L251	H179-T226 WeakPolarHBondContact CA-OG1 3.35Å; H179-T226 PolarHBondContact ND1-OG1 3.09Å; L180-T226 PolarHBondContact N-OG1 3.19Å; L180-T226 VanDerWaalsContact N-OG1 3.09Å; L180-T226 WeakPolarHBondContact O-CB 3.29Å; L180-T226 PolarHBondContact O-OG1 3.47Å; F181-T226 HydrophobicContact CB-CG2 4.2Å; F181-T226 HydrophobicContact CD2-CG2 4.01Å; S223-T226 PolarHBondContact O-N 2.69Å; S223-T226 VanDerWaalsContact O-N 3.09Å; S223-T226 WeakPolarHBondContact OG-CB 3.44Å; S223-T226 PolarHBondContact OG-N 3.15Å; S223-T226 PolarHBondContact OG-OG1 2.64Å; G224-T226 PolarHBondContact O-N 3.35Å; T226-L229 PolarHBondContact O-N 3.24Å; T226-I230 HydrophobicContact CG2-CD1 4.03Å; T226-I230 HydrophobicContact CG2-CG1 4.39Å; T226-I230 VanDerWaalsContact O-CG1 3.29Å; T226-I230 WeakPolarHBondContact O-CG1 3.48Å; T226-I230 PolarHBondContact O-N 2.86Å; T226-L251 HydrophobicContact CG2-CD2 3.59Å
227	A	98.6	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-47.5	175	0	0	0	0	0	111.6	L137 M140 L150 L222 S223 G224 Y225 L229 I230 Y231	L137-A227 HydrophobicContact CD2-CB 3.86Å; M140-A227 HydrophobicContact CE-CB 4.23Å; M140-A227 HydrophobicContact SD-CB 3.98Å; L150-A227 HydrophobicContact CD1-CB 4.23Å; L150-A227 HydrophobicContact CD2-CB 4.2Å; L222-A227 HydrophobicContact CD1-CB 3.76Å; L222-A227 HydrophobicContact CG-CB 4.47Å; S223-A227 PolarHBondContact O-N 3.02Å; G224-A227 WeakPolarHBondContact O-CB 3.41Å; G224-A227 PolarHBondContact O-N 3.45Å; Y225-A227 PolarHBondContact O-N 3.36Å; A227-L229 PolarHBondContact O-N 3.38Å; A227-I230 PolarHBondContact O-N 2.99Å; A227-Y231 PolarHBondContact O-N 3.16Å
228	M	98.4	Very high	97.8	Very high	19 Å²	19	30.5 Å²	30.5	9%	0.094	15%	0.148	C	C	.	.	H	α-helix	trans	-66.5	-35.9	177.3	-68.5	-59.3	99.3	0	0	112.8	M140 E141 G224 Y225 Y231 R232	M140-M228 HydrophobicContact CB-CE 3.95Å; M140-M228 HydrophobicContact CE-CE 3.93Å; M140-M228 HydrophobicContact CG-CE 3.69Å; M140-M228 HydrophobicContact SD-CE 3.46Å; M140-M228 WeakPolarHBondContact SD-CE 3.32Å; E141-M228 HydrophobicContact CB-SD 3.94Å; E141-M228 HydrophobicContact CG-SD 4.23Å; G224-M228 PolarHBondContact O-N 2.81Å; Y225-M228 PolarHBondContact O-N 3.26Å; M228-Y231 WeakPolarHBondContact O-CB 3.39Å; M228-Y231 PolarHBondContact O-N 3.35Å; M228-R232 WeakPolarHBondContact O-CG 3.37Å; M228-R232 PolarHBondContact O-N 3.19Å
229	L	98.4	Very high	98	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.12	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-46	174.3	-173.6	75.3	0	0	0	111.6	Y225 T226 A227 Y231 R232 M233 A254 L256	Y225-L229 HydrophobicContact CE1-CD2 4.3Å; Y225-L229 WeakPolarHBondContact O-CB 3.44Å; Y225-L229 PolarHBondContact O-N 3.19Å; T226-L229 PolarHBondContact O-N 3.24Å; A227-L229 PolarHBondContact O-N 3.38Å; L229-Y231 VanDerWaalsContact C-N 3.3Å; L229-Y231 PolarHBondContact O-N 3.25Å; L229-R232 PolarHBondContact O-N 3.13Å; L229-M233 WeakPolarHBondContact O-CG 3.4Å; L229-M233 PolarHBondContact O-N 2.73Å; L229-A254 HydrophobicContact CD1-CB 4.17Å; L229-A254 HydrophobicContact CD2-CB 3.62Å; L229-A254 HydrophobicContact CG-CB 3.91Å; L229-L256 HydrophobicContact CD2-CD1 3.24Å; L229-L256 HydrophobicContact CD2-CG 4.31Å
230	I	98.7	Very high	98.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-57.1	-46.4	174.8	-72.9	168.5	0	0	0	110	L137 F181 L222 T226 A227 R232 M233 S234 M247 C250 L251	L137-I230 HydrophobicContact CD1-CB 4.35Å; L137-I230 HydrophobicContact CD1-CG2 3.67Å; F181-I230 HydrophobicContact CD2-CD1 3.89Å; F181-I230 HydrophobicContact CE2-CD1 3.65Å; L222-I230 HydrophobicContact CD1-CD1 4.31Å; T226-I230 HydrophobicContact CG2-CD1 4.03Å; T226-I230 HydrophobicContact CG2-CG1 4.39Å; T226-I230 VanDerWaalsContact O-CG1 3.29Å; T226-I230 WeakPolarHBondContact O-CG1 3.48Å; T226-I230 PolarHBondContact O-N 2.86Å; A227-I230 PolarHBondContact O-N 2.99Å; I230-R232 PolarHBondContact O-N 3.06Å; I230-M233 PolarHBondContact O-N 3.03Å; I230-S234 WeakPolarHBondContact O-CB 3.45Å; I230-S234 PolarHBondContact O-N 3.44Å; I230-M247 HydrophobicContact CD1-SD 4.37Å; I230-M247 HydrophobicContact CG2-SD 3.53Å; I230-M247 VanDerWaalsContact CG2-SD 3.53Å; I230-C250 HydrophobicContact CB-CB 4.24Å; I230-C250 HydrophobicContact CG1-CB 4.14Å; I230-C250 HydrophobicContact CG2-CB 3.92Å; I230-L251 HydrophobicContact CD1-CD2 4.19Å; I230-L251 HydrophobicContact CD1-CG 4.47Å; I230-L251 HydrophobicContact CG1-CD2 4.08Å; I230-L251 HydrophobicContact CG1-CG 4.45Å
231	Y	98.6	Very high	98.1	Very high	14 Å²	14	30.5 Å²	30.5	6%	0.055	15%	0.147	C	C	.	.	H	α-helix	trans	-56.7	-48.9	177.6	-177.4	-123.9	0	0	0	112.2	L137 E138 E141 A227 M228 L229 M233 S234 K235	L137-Y231 HydrophobicContact CB-CD2 3.75Å; L137-Y231 HydrophobicContact CB-CG 4.03Å; E138-Y231 HydrophobicContact CB-CD2 4.5Å; E138-Y231 HydrophobicContact CB-CE2 3.59Å; E138-Y231 HydrophobicContact CG-CE2 4.38Å; E138-Y231 WeakPolarHBondContact CG-OH 3.33Å; E141-Y231 HydrophobicContact CB-CD1 4.31Å; E141-Y231 HydrophobicContact CB-CE1 4.27Å; E141-Y231 VanDerWaalsContact CD-CE1 3.45Å; E141-Y231 HydrophobicContact CG-CE1 4.43Å; E141-Y231 WeakPolarHBondContact OE1-CD1 3.41Å; E141-Y231 WeakPolarHBondContact OE1-CE1 3.39Å; E141-Y231 WeakPolarHBondContact OE2-CE1 3.26Å; A227-Y231 PolarHBondContact O-N 3.16Å; M228-Y231 WeakPolarHBondContact O-CB 3.39Å; M228-Y231 PolarHBondContact O-N 3.35Å; L229-Y231 VanDerWaalsContact C-N 3.3Å; L229-Y231 PolarHBondContact O-N 3.25Å; Y231-M233 VanDerWaalsContact C-N 3.35Å; Y231-M233 PolarHBondContact O-N 3.14Å; Y231-S234 WeakPolarHBondContact O-CB 3.31Å; Y231-S234 PolarHBondContact O-N 2.9Å; Y231-S234 PolarHBondContact O-OG 2.92Å; Y231-K235 PolarHBondContact O-N 3.36Å; Y231-K235 VanDerWaalsContact OH-CE 3.32Å; Y231-K235 WeakPolarHBondContact OH-CE 3.43Å
232	R	98.4	Very high	98	Very high	146 Å²	146	30.9 Å²	30.9	55%	0.551	15%	0.15	S	C	*	.	H	α-helix	trans	-59.6	-43.8	177.9	-69.6	171.8	-170.9	172.5	3.4	112	M228 L229 I230	M228-R232 WeakPolarHBondContact O-CG 3.37Å; M228-R232 PolarHBondContact O-N 3.19Å; L229-R232 PolarHBondContact O-N 3.13Å; I230-R232 PolarHBondContact O-N 3.06Å
233	M	98.6	Very high	98	Very high	43 Å²	43	30.9 Å²	30.9	21%	0.212	15%	0.15	C	C	.	.	H	α-helix	trans	-67.6	-37.1	178.2	-67	-55.3	100.7	0	0	112.1	L229 I230 Y231 K235 S236 I237 C250 K253 A254	L229-M233 WeakPolarHBondContact O-CG 3.4Å; L229-M233 PolarHBondContact O-N 2.73Å; I230-M233 PolarHBondContact O-N 3.03Å; Y231-M233 VanDerWaalsContact C-N 3.35Å; Y231-M233 PolarHBondContact O-N 3.14Å; M233-K235 PolarHBondContact O-N 3.3Å; M233-K235 VanDerWaalsContact O-N 3.15Å; M233-S236 PolarHBondContact O-N 3.06Å; M233-S236 PolarHBondContact O-OG 2.92Å; M233-S236 VanDerWaalsContact O-OG 3.08Å; M233-I237 HydrophobicContact CB-CD1 4.11Å; M233-I237 PolarHBondContact O-N 2.81Å; M233-C250 HydrophobicContact CB-CB 3.99Å; M233-C250 WeakPolarHBondContact CG-O 3.49Å; M233-K253 HydrophobicContact SD-CB 4.31Å; M233-K253 HydrophobicContact SD-CD 4.09Å; M233-K253 HydrophobicContact SD-CG 3.82Å; M233-A254 HydrophobicContact CG-CB 4Å; M233-A254 HydrophobicContact SD-CB 4.33Å
234	S	98	Very high	97.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-56.8	-33.4	-178.9	81.3	0	0	0	0	112.7	R30 I230 Y231 S236 I237 Y246	R30-S234 PolarHBondContact NH1-O 3.44Å; R30-S234 PolarHBondContact NH2-O 3.2Å; I230-S234 WeakPolarHBondContact O-CB 3.45Å; I230-S234 PolarHBondContact O-N 3.44Å; Y231-S234 WeakPolarHBondContact O-CB 3.31Å; Y231-S234 PolarHBondContact O-N 2.9Å; Y231-S234 PolarHBondContact O-OG 2.92Å; S234-S236 PolarHBondContact O-N 3.01Å; S234-I237 PolarHBondContact O-N 2.93Å; S234-Y246 VanDerWaalsContact CA-OH 3.29Å; S234-Y246 WeakPolarHBondContact CA-OH 3.18Å; S234-Y246 WeakPolarHBondContact CB-OH 3.48Å; S234-Y246 PolarHBondContact O-OH 3.36Å
235	K	96.9	Very high	97.9	Very high	116 Å²	116	31.4 Å²	31.4	50%	0.504	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.5	178.4	-66.2	179.6	178	178.1	0	113.3	Y231 M233	Y231-K235 PolarHBondContact O-N 3.36Å; Y231-K235 VanDerWaalsContact OH-CE 3.32Å; Y231-K235 WeakPolarHBondContact OH-CE 3.43Å; M233-K235 PolarHBondContact O-N 3.3Å; M233-K235 VanDerWaalsContact O-N 3.15Å
236	S	96.6	Very high	97.9	Very high	67 Å²	67	26.4 Å²	26.4	47%	0.469	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	7	-175.2	61.8	0	0	0	0	114.3	M233 S234 K253	M233-S236 PolarHBondContact O-N 3.06Å; M233-S236 PolarHBondContact O-OG 2.92Å; M233-S236 VanDerWaalsContact O-OG 3.08Å; S234-S236 PolarHBondContact O-N 3.01Å; S236-K253 PolarHBondContact O-NZ 2.93Å; S236-K253 WeakPolarHBondContact OG-CE 3.34Å; S236-K253 PolarHBondContact OG-NZ 2.72Å
237	I	97.3	Very high	97.9	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.056	13%	0.133	C	C	.	.	S	Bend	trans	-111.4	120.3	175.8	-63.6	165	0	0	0	108.4	R30 M233 S234 I239 Y246 M249 C250 K253	R30-I237 PolarHBondContact NH2-O 2.99Å; M233-I237 HydrophobicContact CB-CD1 4.11Å; M233-I237 PolarHBondContact O-N 2.81Å; S234-I237 PolarHBondContact O-N 2.93Å; I237-I239 PolarHBondContact O-N 3.15Å; I237-Y246 HydrophobicContact CB-CE2 4.12Å; I237-Y246 HydrophobicContact CG2-CD2 4.33Å; I237-Y246 HydrophobicContact CG2-CE2 3.66Å; I237-Y246 PolarHBondContact O-OH 3.39Å; I237-M249 HydrophobicContact CG2-CB 4.49Å; I237-M249 HydrophobicContact CG2-CE 3.73Å; I237-C250 HydrophobicContact CD1-CB 4.22Å; I237-K253 HydrophobicContact CD1-CB 3.89Å; I237-K253 HydrophobicContact CD1-CD 3.57Å; I237-K253 HydrophobicContact CD1-CG 4.35Å; I237-K253 HydrophobicContact CG1-CD 3.46Å; I237-K253 VanDerWaalsContact CG1-CD 3.46Å
238	P	96.5	Very high	97.9	Very high	78 Å²	78	26.7 Å²	26.7	51%	0.506	13%	0.133	S	C	.	.			trans	-52	131.6	174.5	-25.8	34.6	0	0	0	111.5	L240 Y246	P238-L240 PolarHBondContact O-N 3.15Å; P238-Y246 WeakPolarHBondContact O-CE2 3.01Å
239	I	97.6	Very high	97.9	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.031	14%	0.137	C	C	.	.			trans	-53.3	138.6	-178.5	-67.5	-178.9	0	0	0	109.8	F23 R27 R30 T130 I134 I237	F23-I239 HydrophobicContact CE2-CG2 3.81Å; F23-I239 HydrophobicContact CZ-CB 4.48Å; F23-I239 HydrophobicContact CZ-CG2 3.96Å; F23-I239 WeakPolarHBondContact CZ-O 3.29Å; R27-I239 HydrophobicContact CG-CB 4.28Å; R27-I239 VanDerWaalsContact CZ-O 3.29Å; R27-I239 PolarHBondContact NE-O 2.6Å; R27-I239 PolarHBondContact NH2-O 3.3Å; R30-I239 HydrophobicContact CG-CD1 4.15Å; T130-I239 HydrophobicContact CG2-CG2 3.8Å; I134-I239 HydrophobicContact CD1-CD1 3.99Å; I134-I239 HydrophobicContact CD1-CG1 3.93Å; I237-I239 PolarHBondContact O-N 3.15Å
240	L	97.8	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.			trans	-110.9	142.1	170.3	-176	80	0	0	0	107.5	T130 V201 V205 Q206 Y211 P238 I242 V245 Y246 M249	T130-L240 VanDerWaalsContact CB-O 3.26Å; T130-L240 WeakPolarHBondContact CB-O 3.47Å; T130-L240 PolarHBondContact OG1-O 3.28Å; V201-L240 HydrophobicContact CG1-CD1 4.34Å; V205-L240 HydrophobicContact CG1-CD1 4.08Å; Q206-L240 HydrophobicContact CB-CD1 4.19Å; Y211-L240 HydrophobicContact CE1-CD2 4.06Å; P238-L240 PolarHBondContact O-N 3.15Å; L240-I242 HydrophobicContact CD2-CB 4.28Å; L240-I242 PolarHBondContact O-N 3.04Å; L240-V245 HydrophobicContact CD2-CB 3.57Å; L240-V245 HydrophobicContact CD2-CG1 3.27Å; L240-Y246 HydrophobicContact CB-CD2 3.96Å; L240-M249 HydrophobicContact CB-SD 4.06Å; L240-M249 HydrophobicContact CD2-SD 3.78Å; L240-M249 HydrophobicContact CG-SD 4.38Å
241	P	96.9	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-72.9	-6	-175.8	29.2	-35.8	0	0	0	114.3	F23 Y127 V201 V205	F23-P241 HydrophobicContact CD2-CB 4Å; F23-P241 HydrophobicContact CE1-CB 4.47Å; F23-P241 HydrophobicContact CE1-CG 4.29Å; F23-P241 HydrophobicContact CE2-CB 3.78Å; F23-P241 HydrophobicContact CE2-CG 4.41Å; F23-P241 HydrophobicContact CG-CB 4.43Å; F23-P241 HydrophobicContact CZ-CB 4.04Å; F23-P241 VanDerWaalsContact CZ-CD 3.43Å; F23-P241 HydrophobicContact CZ-CG 4.18Å; Y127-P241 HydrophobicContact CD1-CB 3.75Å; Y127-P241 HydrophobicContact CD2-CB 4.09Å; Y127-P241 HydrophobicContact CE1-CB 4.37Å; Y127-P241 HydrophobicContact CG-CB 3.6Å; V201-P241 HydrophobicContact CG2-CG 3.98Å; V205-P241 HydrophobicContact CG1-CG 4.23Å
242	I	98.1	Very high	97.9	Very high	10 Å²	10	28 Å²	28	5%	0.051	15%	0.149	C	C	.	.			trans	-105.8	107.5	176.2	-46.1	-57.1	0	0	0	107.8	F126 Y199 V201 L240 V245 Y246	F126-I242 HydrophobicContact CE1-CD1 3.89Å; F126-I242 HydrophobicContact CZ-CD1 4.25Å; Y199-I242 HydrophobicContact CD1-CD1 4.32Å; V201-I242 HydrophobicContact CG2-CD1 4.08Å; V201-I242 HydrophobicContact CG2-CG1 3.75Å; L240-I242 HydrophobicContact CD2-CB 4.28Å; L240-I242 PolarHBondContact O-N 3.04Å; I242-V245 HydrophobicContact CB-CB 4.14Å; I242-V245 HydrophobicContact CB-CG2 4.06Å; I242-V245 HydrophobicContact CG2-CB 4.14Å; I242-V245 HydrophobicContact CG2-CG2 3.64Å; I242-V245 PolarHBondContact O-N 2.75Å; I242-Y246 PolarHBondContact O-N 2.99Å
243	D	97.8	Very high	97.9	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-45.5	-170.9	63.1	-35.9	0	0	0	112.7	K58 L129 T130 Q133 V245 Y246 M247	K58-D243 IonicContact NZ-OD2 3.65Å; K58-D243 PolarHBondContact NZ-OD2 2.94Å; L129-D243 HydrophobicContact CB-CB 3.83Å; T130-D243 WeakPolarHBondContact OG1-CA 3.09Å; T130-D243 PolarHBondContact OG1-N 3.21Å; Q133-D243 HydrophobicContact CG-CB 4.41Å; D243-V245 VanDerWaalsContact C-N 3.33Å; D243-V245 PolarHBondContact O-N 2.93Å; D243-Y246 WeakPolarHBondContact O-CB 3.47Å; D243-Y246 PolarHBondContact O-N 3.45Å; D243-Y246 VanDerWaalsContact O-N 3.1Å; D243-M247 WeakPolarHBondContact O-CG 3.41Å; D243-M247 PolarHBondContact O-N 3.03Å
244	D	97.4	Very high	97.9	Very high	15 Å²	15	25.8 Å²	25.8	8%	0.08	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-44.2	179.3	-60.6	-36.1	0	0	0	112.1	Y214 C215 G217 Y246 M247 G248	Y214-D244 WeakPolarHBondContact CB-O 3.37Å; Y214-D244 HydrophobicContact CD2-CB 3.77Å; Y214-D244 HydrophobicContact CE2-CB 4.12Å; C215-D244 WeakPolarHBondContact O-CB 3.47Å; G217-D244 WeakPolarHBondContact CA-OD2 3.22Å; G217-D244 PolarHBondContact N-OD2 3.09Å; D244-Y246 VanDerWaalsContact C-N 3.33Å; D244-M247 PolarHBondContact O-N 3.42Å; D244-G248 PolarHBondContact O-N 3.42Å
245	V	98.4	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-40	176.3	177.7	0	0	0	0	110.3	Y211 Y214 L240 I242 D243 M247 G248 M249	Y211-V245 HydrophobicContact CD1-CG1 3.43Å; Y211-V245 VanDerWaalsContact CD1-CG1 3.43Å; Y211-V245 HydrophobicContact CD2-CG1 3.94Å; Y211-V245 HydrophobicContact CD2-CG2 3.87Å; Y211-V245 HydrophobicContact CE1-CG1 3.74Å; Y211-V245 HydrophobicContact CE2-CG1 4.23Å; Y211-V245 HydrophobicContact CE2-CG2 3.98Å; Y211-V245 HydrophobicContact CG-CG1 3.52Å; Y211-V245 HydrophobicContact CG-CG2 4.29Å; Y214-V245 HydrophobicContact CD1-CG2 3.99Å; Y214-V245 HydrophobicContact CD2-CG2 4.06Å; Y214-V245 HydrophobicContact CE1-CG2 3.77Å; Y214-V245 HydrophobicContact CE2-CG2 3.83Å; Y214-V245 HydrophobicContact CG-CG2 4.14Å; L240-V245 HydrophobicContact CD2-CB 3.57Å; L240-V245 HydrophobicContact CD2-CG1 3.27Å; I242-V245 HydrophobicContact CB-CB 4.14Å; I242-V245 HydrophobicContact CB-CG2 4.06Å; I242-V245 HydrophobicContact CG2-CB 4.14Å; I242-V245 HydrophobicContact CG2-CG2 3.64Å; I242-V245 PolarHBondContact O-N 2.75Å; D243-V245 VanDerWaalsContact C-N 3.33Å; D243-V245 PolarHBondContact O-N 2.93Å; V245-M247 VanDerWaalsContact C-N 3.3Å; V245-M247 PolarHBondContact O-N 2.92Å; V245-G248 CarbonylContact O-C 3.41Å; V245-G248 WeakPolarHBondContact O-CA 3.42Å; V245-G248 PolarHBondContact O-N 3.27Å; V245-G248 VanDerWaalsContact O-N 3.08Å; V245-M249 HydrophobicContact CG1-CG 4.45Å; V245-M249 HydrophobicContact CG1-SD 4.44Å; V245-M249 WeakPolarHBondContact O-CG 3.39Å; V245-M249 PolarHBondContact O-N 2.69Å
246	Y	98.6	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-37.1	177.2	-172.4	-97.9	0	0	0	112.5	R30 T130 I134 S234 I237 P238 L240 I242 D243 D244 G248 M249 C250	R30-Y246 PolarHBondContact NH1-OH 3.33Å; T130-Y246 HydrophobicContact CG2-CD1 3.31Å; T130-Y246 HydrophobicContact CG2-CD2 3.84Å; T130-Y246 HydrophobicContact CG2-CE1 3.8Å; T130-Y246 HydrophobicContact CG2-CE2 4.28Å; T130-Y246 HydrophobicContact CG2-CG 3.3Å; I134-Y246 HydrophobicContact CD1-CE1 3.7Å; I134-Y246 HydrophobicContact CG1-CE1 4.04Å; S234-Y246 VanDerWaalsContact CA-OH 3.29Å; S234-Y246 WeakPolarHBondContact CA-OH 3.18Å; S234-Y246 WeakPolarHBondContact CB-OH 3.48Å; S234-Y246 PolarHBondContact O-OH 3.36Å; I237-Y246 HydrophobicContact CB-CE2 4.12Å; I237-Y246 HydrophobicContact CG2-CD2 4.33Å; I237-Y246 HydrophobicContact CG2-CE2 3.66Å; I237-Y246 PolarHBondContact O-OH 3.39Å; P238-Y246 WeakPolarHBondContact O-CE2 3.01Å; L240-Y246 HydrophobicContact CB-CD2 3.96Å; I242-Y246 PolarHBondContact O-N 2.99Å; D243-Y246 WeakPolarHBondContact O-CB 3.47Å; D243-Y246 PolarHBondContact O-N 3.45Å; D243-Y246 VanDerWaalsContact O-N 3.1Å; D244-Y246 VanDerWaalsContact C-N 3.33Å; Y246-G248 VanDerWaalsContact C-N 3.35Å; Y246-M249 HydrophobicContact CD2-SD 4.45Å; Y246-M249 WeakPolarHBondContact O-CB 3.43Å; Y246-M249 PolarHBondContact O-N 2.7Å; Y246-C250 VanDerWaalsContact CE1-SG 3.6Å; Y246-C250 PolarHBondContact O-N 2.95Å; Y246-C250 PolarHBondContact O-SG 3.25Å
247	M	98.4	Very high	98.1	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-44	171.9	-59.3	-53.5	133.3	0	0	111	Q133 F181 F220 I230 D243 D244 V245 M249 C250 L251	Q133-M247 HydrophobicContact CB-CE 3.57Å; Q133-M247 HydrophobicContact CG-CE 4.03Å; F181-M247 HydrophobicContact CE2-CB 4.17Å; F181-M247 HydrophobicContact CZ-CB 3.84Å; F181-M247 HydrophobicContact CZ-CG 4.48Å; F220-M247 HydrophobicContact CZ-CG 4.05Å; I230-M247 HydrophobicContact CD1-SD 4.37Å; I230-M247 HydrophobicContact CG2-SD 3.53Å; I230-M247 VanDerWaalsContact CG2-SD 3.53Å; D243-M247 WeakPolarHBondContact O-CG 3.41Å; D243-M247 PolarHBondContact O-N 3.03Å; D244-M247 PolarHBondContact O-N 3.42Å; V245-M247 VanDerWaalsContact C-N 3.3Å; V245-M247 PolarHBondContact O-N 2.92Å; M247-M249 VanDerWaalsContact C-N 3.35Å; M247-M249 PolarHBondContact O-N 2.86Å; M247-C250 WeakPolarHBondContact O-CB 3.31Å; M247-C250 PolarHBondContact O-N 3.14Å; M247-L251 WeakPolarHBondContact O-CG 3.34Å; M247-L251 PolarHBondContact O-N 3.38Å
248	G	98.4	Very high	98.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-40.9	173.4	0	0	0	0	0	113.3	D244 V245 Y246 C250 L251 A252	D244-G248 PolarHBondContact O-N 3.42Å; V245-G248 CarbonylContact O-C 3.41Å; V245-G248 WeakPolarHBondContact O-CA 3.42Å; V245-G248 PolarHBondContact O-N 3.27Å; V245-G248 VanDerWaalsContact O-N 3.08Å; Y246-G248 VanDerWaalsContact C-N 3.35Å; G248-C250 VanDerWaalsContact C-N 3.34Å; G248-C250 PolarHBondContact O-N 2.84Å; G248-L251 PolarHBondContact O-N 2.8Å; G248-A252 WeakPolarHBondContact O-CB 3.3Å; G248-A252 PolarHBondContact O-N 3.35Å
249	M	98.7	Very high	98.2	Very high	34 Å²	34	24 Å²	24	17%	0.167	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-41	174	-66.7	171.4	70.3	0	0	112.2	P212 I237 L240 V245 Y246 M247 A252 K253	P212-M249 HydrophobicContact CG-CB 4.4Å; P212-M249 HydrophobicContact CG-CG 3.81Å; I237-M249 HydrophobicContact CG2-CB 4.49Å; I237-M249 HydrophobicContact CG2-CE 3.73Å; L240-M249 HydrophobicContact CB-SD 4.06Å; L240-M249 HydrophobicContact CD2-SD 3.78Å; L240-M249 HydrophobicContact CG-SD 4.38Å; V245-M249 HydrophobicContact CG1-CG 4.45Å; V245-M249 HydrophobicContact CG1-SD 4.44Å; V245-M249 WeakPolarHBondContact O-CG 3.39Å; V245-M249 PolarHBondContact O-N 2.69Å; Y246-M249 HydrophobicContact CD2-SD 4.45Å; Y246-M249 WeakPolarHBondContact O-CB 3.43Å; Y246-M249 PolarHBondContact O-N 2.7Å; M247-M249 VanDerWaalsContact C-N 3.35Å; M247-M249 PolarHBondContact O-N 2.86Å; M249-A252 PolarHBondContact O-N 3.39Å; M249-K253 WeakPolarHBondContact O-CB 3.25Å; M249-K253 PolarHBondContact O-N 2.91Å
250	C	98.8	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-41.3	176.6	-66.4	0	0	0	0	111.9	I230 M233 I237 Y246 M247 G248 A254	I230-C250 HydrophobicContact CB-CB 4.24Å; I230-C250 HydrophobicContact CG1-CB 4.14Å; I230-C250 HydrophobicContact CG2-CB 3.92Å; M233-C250 HydrophobicContact CB-CB 3.99Å; M233-C250 WeakPolarHBondContact CG-O 3.49Å; I237-C250 HydrophobicContact CD1-CB 4.22Å; Y246-C250 VanDerWaalsContact CE1-SG 3.6Å; Y246-C250 PolarHBondContact O-N 2.95Å; Y246-C250 PolarHBondContact O-SG 3.25Å; M247-C250 WeakPolarHBondContact O-CB 3.31Å; M247-C250 PolarHBondContact O-N 3.14Å; G248-C250 VanDerWaalsContact C-N 3.34Å; G248-C250 PolarHBondContact O-N 2.84Å; C250-A254 PolarHBondContact O-N 2.98Å
251	L	98.7	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-48.8	174.9	-67.6	175.4	0	0	0	111.7	F181 T226 I230 M247 G248 K253 A254 G255 L256 P258	F181-L251 HydrophobicContact CB-CD1 3.97Å; F181-L251 HydrophobicContact CD1-CD1 3.79Å; F181-L251 HydrophobicContact CD2-CD1 3.88Å; F181-L251 HydrophobicContact CD2-CD2 4.47Å; F181-L251 HydrophobicContact CE1-CD1 4.19Å; F181-L251 HydrophobicContact CE2-CD1 4.28Å; F181-L251 HydrophobicContact CG-CD1 3.61Å; F181-L251 HydrophobicContact CZ-CD1 4.42Å; T226-L251 HydrophobicContact CG2-CD2 3.59Å; I230-L251 HydrophobicContact CD1-CD2 4.19Å; I230-L251 HydrophobicContact CD1-CG 4.47Å; I230-L251 HydrophobicContact CG1-CD2 4.08Å; I230-L251 HydrophobicContact CG1-CG 4.45Å; M247-L251 WeakPolarHBondContact O-CG 3.34Å; M247-L251 PolarHBondContact O-N 3.38Å; G248-L251 PolarHBondContact O-N 2.8Å; L251-K253 VanDerWaalsContact C-N 3.3Å; L251-K253 PolarHBondContact O-N 2.66Å; L251-A254 CarbonylContact O-C 3.58Å; L251-A254 WeakPolarHBondContact O-CA 3.5Å; L251-A254 WeakPolarHBondContact O-CB 3.28Å; L251-A254 PolarHBondContact O-N 2.91Å; L251-G255 PolarHBondContact O-N 3.07Å; L251-L256 CarbonylContact C-O 3.52Å; L251-L256 HydrophobicContact CD2-CB 4.4Å; L251-L256 PolarHBondContact O-N 2.97Å; L251-L256 VanDerWaalsContact O-O 3.08Å; L251-P258 HydrophobicContact CD1-CB 4.39Å
252	A	98.5	Very high	98	Very high	52 Å²	52	36 Å²	36	43%	0.43	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-41.3	179.8	0	0	0	0	0	111.8	P212 G248 M249 A254 G255 L256	P212-A252 HydrophobicContact CB-CB 3.85Å; P212-A252 HydrophobicContact CG-CB 4.41Å; G248-A252 WeakPolarHBondContact O-CB 3.3Å; G248-A252 PolarHBondContact O-N 3.35Å; M249-A252 PolarHBondContact O-N 3.39Å; A252-A254 PolarHBondContact O-N 3.26Å; A252-G255 PolarHBondContact O-N 2.69Å; A252-L256 PolarHBondContact N-O 2.96Å
253	K	98.4	Very high	97.8	Very high	109 Å²	109	36 Å²	36	47%	0.474	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-31.6	174.8	-174.5	169.3	-172.9	163.3	0	112.9	M233 S236 I237 M249 L251 G255	M233-K253 HydrophobicContact SD-CB 4.31Å; M233-K253 HydrophobicContact SD-CD 4.09Å; M233-K253 HydrophobicContact SD-CG 3.82Å; S236-K253 PolarHBondContact O-NZ 2.93Å; S236-K253 WeakPolarHBondContact OG-CE 3.34Å; S236-K253 PolarHBondContact OG-NZ 2.72Å; I237-K253 HydrophobicContact CD1-CB 3.89Å; I237-K253 HydrophobicContact CD1-CD 3.57Å; I237-K253 HydrophobicContact CD1-CG 4.35Å; I237-K253 HydrophobicContact CG1-CD 3.46Å; I237-K253 VanDerWaalsContact CG1-CD 3.46Å; M249-K253 WeakPolarHBondContact O-CB 3.25Å; M249-K253 PolarHBondContact O-N 2.91Å; L251-K253 VanDerWaalsContact C-N 3.3Å; L251-K253 PolarHBondContact O-N 2.66Å; K253-G255 VanDerWaalsContact C-N 3.28Å
254	A	98.3	Very high	97.8	Very high	33 Å²	33	36.1 Å²	36.1	27%	0.273	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.2	175.7	0	0	0	0	0	113.9	L229 M233 C250 L251 A252 L256	L229-A254 HydrophobicContact CD1-CB 4.17Å; L229-A254 HydrophobicContact CD2-CB 3.62Å; L229-A254 HydrophobicContact CG-CB 3.91Å; M233-A254 HydrophobicContact CG-CB 4Å; M233-A254 HydrophobicContact SD-CB 4.33Å; C250-A254 PolarHBondContact O-N 2.98Å; L251-A254 CarbonylContact O-C 3.58Å; L251-A254 WeakPolarHBondContact O-CA 3.5Å; L251-A254 WeakPolarHBondContact O-CB 3.28Å; L251-A254 PolarHBondContact O-N 2.91Å; A252-A254 PolarHBondContact O-N 3.26Å; A254-L256 VanDerWaalsContact C-N 3.27Å; A254-L256 PolarHBondContact O-N 2.85Å
255	G	98.3	Very high	97.6	Very high	70 Å²	70	39 Å²	39	72%	0.722	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	21.2	-176.1	0	0	0	0	0	113.9	L251 A252 K253	L251-G255 PolarHBondContact O-N 3.07Å; A252-G255 PolarHBondContact O-N 2.69Å; K253-G255 VanDerWaalsContact C-N 3.28Å
256	L	98.4	Very high	97.4	Very high	54 Å²	54	40 Å²	40	28%	0.283	25%	0.252	S	S	.	.			trans	-114.7	166.8	178.9	-60	-178.9	0	0	0	110.9	H179 L229 L251 A252 A254	H179-L256 HydrophobicContact CB-CD1 4.08Å; L229-L256 HydrophobicContact CD2-CD1 3.24Å; L229-L256 HydrophobicContact CD2-CG 4.31Å; L251-L256 CarbonylContact C-O 3.52Å; L251-L256 HydrophobicContact CD2-CB 4.4Å; L251-L256 PolarHBondContact O-N 2.97Å; L251-L256 VanDerWaalsContact O-O 3.08Å; A252-L256 PolarHBondContact N-O 2.96Å; A254-L256 VanDerWaalsContact C-N 3.27Å; A254-L256 PolarHBondContact O-N 2.85Å
257	G	98	Very high	96.9	Very high	40 Å²	40	44.3 Å²	44.3	41%	0.412	29%	0.288	S	S	.	.			trans	-145.9	150.6	179.9	0	0	0	0	0	112.7	H179	H179-G257 PolarHBondContact NE2-O 2.91Å
258	P	98.3	Very high	96.4	Very high	18 Å²	18	45.2 Å²	45.2	12%	0.117	30%	0.298	C	S	.	.			trans	-68.1	155.1	174.5	31.3	-37.8	0	0	0	112.2	F181 L185 P213 L251	F181-P258 HydrophobicContact CD1-CB 3.71Å; F181-P258 HydrophobicContact CE1-CB 4.3Å; F181-P258 CarbonylContact O-C 3.47Å; F181-P258 WeakPolarHBondContact O-CA 3.44Å; L185-P258 HydrophobicContact CD1-CB 4.07Å; L185-P258 HydrophobicContact CD1-CG 3.56Å; P213-P258 HydrophobicContact CB-CG 3.84Å; P213-P258 WeakPolarHBondContact O-CD 3.31Å; P213-P258 WeakPolarHBondContact O-CG 3.42Å; L251-P258 HydrophobicContact CD1-CB 4.39Å
259	S	97.8	Very high	95.8	Very high	52 Å²	52	47 Å²	47	36%	0.364	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	154.3	170.7	62.1	0	0	0	0	111.8	F181 T182 G183	F181-S259 PolarHBondContact O-N 3.3Å; F181-S259 PolarHBondContact O-OG 3.03Å; T182-S259 VanDerWaalsContact CA-O 3.29Å; T182-S259 WeakPolarHBondContact CA-O 3.49Å; T182-S259 WeakPolarHBondContact CB-OG 3.43Å; T182-S259 PolarHBondContact OG1-O 3.15Å; T182-S259 PolarHBondContact OG1-OG 2.87Å; G183-S259 PolarHBondContact N-O 3.17Å
260	S	97.4	Very high	95	Very high	75 Å²	75	52 Å²	52	52%	0.524	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	142.2	173.5	-169.4	0	0	0	0	111.5	G183	G183-S260 CarbonylContact O-C 3.5Å; G183-S260 WeakPolarHBondContact O-CA 3.1Å
261	H	96.7	Very high	94.2	Very high	42 Å²	42	52.7 Å²	52.7	19%	0.194	33%	0.334	C	S	.	.			trans	-128.3	119.7	166.9	-168	-76.3	0	0	0	110.7	Y167 T182 G183 G263 V264 L288	Y167-H261 AromaticContact CD2-CD2 3.93Å; Y167-H261 AromaticContact CD2-NE2 3.48Å; Y167-H261 WeakPolarHBondContact CD2-NE2 3.45Å; Y167-H261 AromaticContact CE2-CD2 3.5Å; Y167-H261 AromaticContact CE2-NE2 3.55Å; Y167-H261 AromaticContact CG-NE2 3.91Å; Y167-H261 AromaticContact CZ-CD2 3.59Å; T182-H261 HydrophobicContact CG2-CB 4.34Å; T182-H261 WeakPolarHBondContact OG1-CB 3.46Å; G183-H261 PolarHBondContact O-N 3.33Å; H261-G263 PolarHBondContact ND1-N 3.35Å; H261-G263 PolarHBondContact O-N 3.32Å; H261-G263 VanDerWaalsContact O-N 3.07Å; H261-V264 HydrophobicContact CB-CG2 4.28Å; H261-V264 PolarHBondContact O-N 3.22Å; H261-L288 WeakPolarHBondContact CE1-CD1 3.49Å; H261-L288 WeakPolarHBondContact ND1-CD1 3.06Å
262	M	93.8	Very high	92.8	Very high	141 Å²	141	56.3 Å²	56.3	70%	0.695	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.1	-173.9	-66.3	-170.4	-70.8	0	0	114	V264 K265 T324	M262-V264 VanDerWaalsContact C-N 3.28Å; M262-V264 PolarHBondContact O-N 3.13Å; M262-K265 WeakPolarHBondContact O-CE 3.35Å; M262-K265 PolarHBondContact O-NZ 3.36Å; M262-T324 HydrophobicContact SD-CG2 4.38Å
263	G	95	Very high	91.7	Very high	10 Å²	10	55 Å²	55	10%	0.103	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-5.7	176.7	0	0	0	0	0	115.5	H261 L288 L289	H261-G263 PolarHBondContact ND1-N 3.35Å; H261-G263 PolarHBondContact O-N 3.32Å; H261-G263 VanDerWaalsContact O-N 3.07Å; G263-L288 WeakPolarHBondContact O-CA 3.34Å; G263-L288 PolarHBondContact O-N 3.38Å; G263-L289 PolarHBondContact O-N 2.93Å; G263-L289 VanDerWaalsContact O-N 3.08Å
264	V	96.8	Very high	90.6	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.048	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.8	177.8	-179.2	0	0	0	0	109.2	H184 G219 H261 M262 T266 L288 L289	H184-V264 HydrophobicContact CB-CG1 4.27Å; G219-V264 WeakPolarHBondContact O-CG1 3.43Å; H261-V264 HydrophobicContact CB-CG2 4.28Å; H261-V264 PolarHBondContact O-N 3.22Å; M262-V264 VanDerWaalsContact C-N 3.28Å; M262-V264 PolarHBondContact O-N 3.13Å; V264-T266 HydrophobicContact CG1-CG2 3.84Å; V264-L288 HydrophobicContact CG2-CB 4.08Å; V264-L288 HydrophobicContact CG2-CD1 4.22Å; V264-L289 HydrophobicContact CG1-CD2 4.32Å
265	K	95.1	Very high	89.7	Confident	75 Å²	75	64.8 Å²	64.8	33%	0.326	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	75.4	-166.4	-60.7	-62.1	-163.4	-159.7	0	110.9	M262 A267 G268 L269 L289 V290 H291	M262-K265 WeakPolarHBondContact O-CE 3.35Å; M262-K265 PolarHBondContact O-NZ 3.36Å; K265-A267 VanDerWaalsContact C-N 3.29Å; K265-A267 PolarHBondContact O-N 2.83Å; K265-G268 PolarHBondContact O-N 2.99Å; K265-L269 HydrophobicContact CB-CD2 4.28Å; K265-L269 HydrophobicContact CD-CD2 4.24Å; K265-L269 HydrophobicContact CG-CD2 3.75Å; K265-L289 PolarHBondContact N-O 3.31Å; K265-V290 HydrophobicContact CB-CB 4.47Å; K265-V290 HydrophobicContact CB-CG2 3.73Å; K265-V290 HydrophobicContact CG-CG2 4.19Å; K265-V290 WeakPolarHBondContact O-CA 3.34Å; K265-H291 PolarHBondContact O-N 3.25Å
266	T	92.3	Very high	88.9	Confident	21 Å²	21	63.6 Å²	63.6	13%	0.129	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.4	-173.4	70.7	0	0	0	0	113.4	H184 G217 V264 L289 H291	H184-T266 HydrophobicContact CB-CG2 3.66Å; H184-T266 PolarHBondContact ND1-OG1 3.05Å; G217-T266 WeakPolarHBondContact O-CB 3.35Å; G217-T266 WeakPolarHBondContact O-CG2 3.38Å; V264-T266 HydrophobicContact CG1-CG2 3.84Å; T266-L289 HydrophobicContact CG2-CD2 4.46Å; T266-H291 WeakPolarHBondContact O-CB 3.47Å
267	A	88.8	Confident	88.1	Confident	91 Å²	91	65.9 Å²	65.9	75%	0.752	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	15.8	170.7	0	0	0	0	0	112.7	K265	K265-A267 VanDerWaalsContact C-N 3.29Å; K265-A267 PolarHBondContact O-N 2.83Å
268	G	88.1	Confident	87.4	Confident	23 Å²	23	68.3 Å²	68.3	24%	0.237	38%	0.376	C	S	.	.			trans	77.9	-178.9	-172.5	0	0	0	0	0	114.2	K265 H291	K265-G268 PolarHBondContact O-N 2.99Å; G268-H291 WeakPolarHBondContact CA-O 3.38Å; G268-H291 PolarHBondContact N-O 3.19Å
269	L	86	Confident	86.9	Confident	40 Å²	40	71.7 Å²	71.7	21%	0.209	39%	0.39	C	S	.	.			trans	-93.7	124.6	172.3	-71.7	176.8	0	0	0	109.8	K265 I271 F283 Y284 V287 V290	K265-L269 HydrophobicContact CB-CD2 4.28Å; K265-L269 HydrophobicContact CD-CD2 4.24Å; K265-L269 HydrophobicContact CG-CD2 3.75Å; L269-I271 HydrophobicContact CB-CG1 4.41Å; L269-I271 PolarHBondContact O-N 2.8Å; L269-F283 HydrophobicContact CD1-CB 4.05Å; L269-F283 WeakPolarHBondContact CD1-O 3.32Å; L269-Y284 HydrophobicContact CD1-CD1 3.61Å; L269-Y284 HydrophobicContact CD1-CD2 4.37Å; L269-Y284 HydrophobicContact CD1-CE1 3.5Å; L269-Y284 HydrophobicContact CD1-CE2 4.27Å; L269-Y284 HydrophobicContact CD1-CG 4.06Å; L269-Y284 HydrophobicContact CG-CE1 4.31Å; L269-V287 HydrophobicContact CD1-CG1 4.45Å; L269-V287 HydrophobicContact CD2-CG1 4.26Å; L269-V290 HydrophobicContact CD1-CG2 4.08Å; L269-V290 HydrophobicContact CD2-CG2 4.26Å; L269-V290 HydrophobicContact CG-CG1 4.47Å; L269-V290 HydrophobicContact CG-CG2 3.84Å
270	H	81.5	Confident	86.5	Confident	137 Å²	137	70 Å²	70	63%	0.634	38%	0.378	S	S	*	.			trans	-85.3	106.4	170.8	-175.7	73.9	0	0	0	109.5
271	I	81.5	Confident	86.3	Confident	16 Å²	16	67.5 Å²	67.5	8%	0.082	36%	0.36	C	S	.	.			trans	-106.2	106.9	176.9	-61.6	166	0	0	0	107.4	L269 S273 K278 F283	L269-I271 HydrophobicContact CB-CG1 4.41Å; L269-I271 PolarHBondContact O-N 2.8Å; I271-S273 PolarHBondContact O-N 2.86Å; I271-K278 HydrophobicContact CB-CG 4.22Å; I271-K278 HydrophobicContact CD1-CB 3.96Å; I271-K278 HydrophobicContact CD1-CG 4.27Å; I271-K278 VanDerWaalsContact CD1-O 3.22Å; I271-K278 WeakPolarHBondContact CD1-O 3.44Å; I271-K278 HydrophobicContact CG2-CG 4.36Å; I271-F283 HydrophobicContact CD1-CB 4.25Å; I271-F283 HydrophobicContact CD1-CD2 3.42Å; I271-F283 VanDerWaalsContact CD1-CD2 3.42Å; I271-F283 HydrophobicContact CD1-CE2 3.81Å; I271-F283 HydrophobicContact CD1-CG 3.85Å; I271-F283 HydrophobicContact CG1-CD2 4.21Å; I271-F283 HydrophobicContact CG1-CE2 4.35Å; I271-F283 HydrophobicContact CG1-CG 4.33Å; I271-F283 HydrophobicContact CG2-CE2 4.04Å; I271-F283 HydrophobicContact CG2-CZ 4Å
272	P	69.8	Low	86	Confident	75 Å²	75	65.9 Å²	65.9	49%	0.487	35%	0.353	S	S	.	.			trans	-82.7	45.6	-169.6	35.2	-36.5	0	0	0	112.2	L319	P272-L319 HydrophobicContact CG-CD2 4.19Å
273	S	76.4	Confident	85.8	Confident	26 Å²	26	59.3 Å²	59.3	18%	0.182	32%	0.32	C	S	.	.			trans	-151.2	132.8	174.2	-178.1	0	0	0	0	109.9	I271 K275 K278	I271-S273 PolarHBondContact O-N 2.86Å; S273-K275 VanDerWaalsContact C-N 3.34Å; S273-K275 PolarHBondContact OG-N 3.19Å; S273-K275 VanDerWaalsContact OG-N 3.15Å; S273-K278 WeakPolarHBondContact O-CE 3.5Å
274	N	75.5	Confident	85.7	Confident	144 Å²	144	59.5 Å²	59.5	77%	0.77	32%	0.318	S	S	*	.	S	Bend	trans	-90.7	-2.9	170.3	-67	-26	0	0	0	112.2	K278	N274-K278 PolarHBondContact OD1-NZ 3.06Å
275	K	78.9	Confident	85.4	Confident	202 Å²	202	62.9 Å²	62.9	88%	0.878	33%	0.332	S	S	*	.	S	Bend	trans	-90.7	-5.1	-180	-61.7	-175.2	178.5	-177.9	0	113.2	S273	S273-K275 VanDerWaalsContact C-N 3.34Å; S273-K275 PolarHBondContact OG-N 3.19Å; S273-K275 VanDerWaalsContact OG-N 3.15Å
276	I	81.1	Confident	85.1	Confident	45 Å²	45	63.2 Å²	63.2	23%	0.231	34%	0.338	C	S	.	.	S	Bend	trans	-118.9	143.6	-176.6	-57.5	170.5	0	0	0	108.1	K278 F283 L319	I276-K278 PolarHBondContact O-N 2.79Å; I276-K278 VanDerWaalsContact O-N 3.11Å; I276-F283 HydrophobicContact CG2-CE2 3.9Å; I276-F283 HydrophobicContact CG2-CZ 4.09Å; I276-L319 HydrophobicContact CD1-CD1 3.28Å
277	D	82.5	Confident	85.2	Confident	103 Å²	103	62.7 Å²	62.7	55%	0.551	33%	0.334	S	S	*	.			trans	-62.5	112.9	170.9	-178.4	10.8	0	0	0	110.1	F279 S280	D277-F279 PolarHBondContact O-N 2.82Å; D277-F279 PolarHBondContact OD1-N 3.39Å; D277-S280 VanDerWaalsContact O-CB 3.27Å; D277-S280 WeakPolarHBondContact O-CB 3.36Å; D277-S280 PolarHBondContact O-N 3.3Å
278	K	83.4	Confident	85.5	Confident	90 Å²	90	58.6 Å²	58.6	39%	0.391	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.6	178.1	-66.1	-179.9	-178.2	168.7	0	112.1	I271 S273 N274 I276 Y284	I271-K278 HydrophobicContact CB-CG 4.22Å; I271-K278 HydrophobicContact CD1-CB 3.96Å; I271-K278 HydrophobicContact CD1-CG 4.27Å; I271-K278 VanDerWaalsContact CD1-O 3.22Å; I271-K278 WeakPolarHBondContact CD1-O 3.44Å; I271-K278 HydrophobicContact CG2-CG 4.36Å; S273-K278 WeakPolarHBondContact O-CE 3.5Å; N274-K278 PolarHBondContact OD1-NZ 3.06Å; I276-K278 PolarHBondContact O-N 2.79Å; I276-K278 VanDerWaalsContact O-N 3.11Å; K278-Y284 WeakPolarHBondContact O-CE2 3.47Å; K278-Y284 PolarHBondContact O-OH 2.95Å; K278-Y284 VanDerWaalsContact O-OH 3.06Å
279	F	86	Confident	85.9	Confident	90 Å²	90	57.6 Å²	57.6	40%	0.395	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	16.3	173.3	-71.7	-86.4	0	0	0	113.1	D277 P281 F293 M301	D277-F279 PolarHBondContact O-N 2.82Å; D277-F279 PolarHBondContact OD1-N 3.39Å; F279-P281 WeakPolarHBondContact O-CD 3.41Å; F279-F293 HydrophobicContact CD1-CE1 4.12Å; F279-F293 HydrophobicContact CD1-CZ 4.46Å; F279-F293 HydrophobicContact CE1-CE1 4.03Å; F279-F293 HydrophobicContact CE1-CZ 4.38Å; F279-M301 HydrophobicContact CB-CE 4.11Å; F279-M301 HydrophobicContact CD1-CE 4.05Å; F279-M301 WeakPolarHBondContact O-CE 3.19Å
280	S	90.6	Very high	86.4	Confident	16 Å²	16	55.8 Å²	55.8	11%	0.112	28%	0.28	C	S	.	.			trans	-57	122.3	170.4	173.9	0	0	0	0	110.4	D277 C282 F283 Y284 H316	D277-S280 VanDerWaalsContact O-CB 3.27Å; D277-S280 WeakPolarHBondContact O-CB 3.36Å; D277-S280 PolarHBondContact O-N 3.3Å; S280-C282 PolarHBondContact O-N 3.16Å; S280-F283 PolarHBondContact O-N 3.26Å; S280-F283 VanDerWaalsContact O-N 3.1Å; S280-Y284 VanDerWaalsContact O-CD2 3.3Å; S280-Y284 WeakPolarHBondContact O-CD2 3.5Å; S280-H316 PolarHBondContact OG-CD2 3.36Å; S280-H316 PolarHBondContact OG-NE2 2.89Å; S280-H316 VanDerWaalsContact OG-NE2 3.12Å
281	P	92.3	Very high	87.1	Confident	23 Å²	23	51.7 Å²	51.7	15%	0.149	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-57.4	-24.6	-177.1	-24.1	32.3	0	0	0	114	F279 F283 Y284 K285 M301 T305 L310	F279-P281 WeakPolarHBondContact O-CD 3.41Å; P281-F283 VanDerWaalsContact C-N 3.27Å; P281-F283 PolarHBondContact O-N 2.85Å; P281-Y284 PolarHBondContact O-N 3.4Å; P281-Y284 VanDerWaalsContact O-N 3.09Å; P281-K285 PolarHBondContact O-N 3.41Å; P281-M301 HydrophobicContact CB-SD 4.2Å; P281-M301 HydrophobicContact CG-SD 4.47Å; P281-T305 HydrophobicContact CB-CG2 3.88Å; P281-L310 HydrophobicContact CB-CD1 4.01Å; P281-L310 HydrophobicContact CB-CD2 3.82Å; P281-L310 HydrophobicContact CG-CD1 4.24Å
282	C	90.6	Very high	87.6	Confident	8 Å²	8	59.7 Å²	59.7	5%	0.054	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-61.6	-33.1	178.9	-68.8	0	0	0	0	113.3	S280 Y284 C312 H316	S280-C282 PolarHBondContact O-N 3.16Å; C282-Y284 PolarHBondContact O-N 3.04Å; C282-C312 WeakPolarHBondContact CA-SG 3.22Å; C282-C312 HydrophobicContact CB-CB 3.66Å; C282-C312 WeakPolarHBondContact CB-SG 3.43Å; C282-C312 WeakPolarHBondContact SG-CA 3.35Å; C282-C312 WeakPolarHBondContact SG-CB 3.49Å; C282-C312 CovalentContact SG-SG 2.04Å; C282-C312 PolarHBondContact SG-SG 3.39Å; C282-H316 HydrophobicContact CB-CB 4.24Å
283	F	90	Very high	88.8	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.009	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-71.2	-23.2	177.2	-64.5	-56.2	0	0	0	113.1	L269 I271 I276 S280 P281 H316 Q320	L269-F283 HydrophobicContact CD1-CB 4.05Å; L269-F283 WeakPolarHBondContact CD1-O 3.32Å; I271-F283 HydrophobicContact CD1-CB 4.25Å; I271-F283 HydrophobicContact CD1-CD2 3.42Å; I271-F283 VanDerWaalsContact CD1-CD2 3.42Å; I271-F283 HydrophobicContact CD1-CE2 3.81Å; I271-F283 HydrophobicContact CD1-CG 3.85Å; I271-F283 HydrophobicContact CG1-CD2 4.21Å; I271-F283 HydrophobicContact CG1-CE2 4.35Å; I271-F283 HydrophobicContact CG1-CG 4.33Å; I271-F283 HydrophobicContact CG2-CE2 4.04Å; I271-F283 HydrophobicContact CG2-CZ 4Å; I276-F283 HydrophobicContact CG2-CE2 3.9Å; I276-F283 HydrophobicContact CG2-CZ 4.09Å; S280-F283 PolarHBondContact O-N 3.26Å; S280-F283 VanDerWaalsContact O-N 3.1Å; P281-F283 VanDerWaalsContact C-N 3.27Å; P281-F283 PolarHBondContact O-N 2.85Å; F283-H316 HydrophobicContact CD1-CB 4.37Å; F283-H316 HydrophobicContact CE1-CB 3.9Å; F283-H316 AromaticContact CE1-CD2 3.69Å; F283-H316 AromaticContact CE2-CD2 3.66Å; F283-H316 HydrophobicContact CZ-CB 4.4Å; F283-H316 AromaticContact CZ-CD2 3.38Å; F283-H316 WeakPolarHBondContact CZ-CD2 3.39Å; F283-Q320 HydrophobicContact CD1-CG 4.11Å; F283-Q320 PolarHBondContact O-NE2 2.61Å
284	Y	92.1	Very high	89.7	Confident	15 Å²	15	59.7 Å²	59.7	6%	0.059	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-24.2	-174	-60.5	-93	0	0	0	112.2	F158 H160 L269 K278 S280 P281 C282 D286 V287 V290 F293 M301	F158-Y284 HydrophobicContact CD1-CD1 4.25Å; H160-Y284 PolarHBondContact CD2-O 3Å; H160-Y284 PolarHBondContact NE2-O 3.31Å; L269-Y284 HydrophobicContact CD1-CD1 3.61Å; L269-Y284 HydrophobicContact CD1-CD2 4.37Å; L269-Y284 HydrophobicContact CD1-CE1 3.5Å; L269-Y284 HydrophobicContact CD1-CE2 4.27Å; L269-Y284 HydrophobicContact CD1-CG 4.06Å; L269-Y284 HydrophobicContact CG-CE1 4.31Å; K278-Y284 WeakPolarHBondContact O-CE2 3.47Å; K278-Y284 PolarHBondContact O-OH 2.95Å; K278-Y284 VanDerWaalsContact O-OH 3.06Å; S280-Y284 VanDerWaalsContact O-CD2 3.3Å; S280-Y284 WeakPolarHBondContact O-CD2 3.5Å; P281-Y284 PolarHBondContact O-N 3.4Å; P281-Y284 VanDerWaalsContact O-N 3.09Å; C282-Y284 PolarHBondContact O-N 3.04Å; Y284-D286 VanDerWaalsContact C-N 3.26Å; Y284-D286 PolarHBondContact O-N 3.27Å; Y284-V287 WeakPolarHBondContact O-CG2 3.37Å; Y284-V287 PolarHBondContact O-N 3.42Å; Y284-V287 VanDerWaalsContact O-N 3.13Å; Y284-V290 HydrophobicContact CD1-CB 4.37Å; Y284-V290 HydrophobicContact CD1-CG1 4.42Å; Y284-V290 HydrophobicContact CD1-CG2 4.13Å; Y284-V290 HydrophobicContact CE1-CB 4.43Å; Y284-V290 HydrophobicContact CE1-CG1 3.98Å; Y284-V290 HydrophobicContact CE1-CG2 4.39Å; Y284-F293 HydrophobicContact CD1-CE2 4.06Å; Y284-F293 AromaticContact CD1-CZ 3.82Å; Y284-F293 HydrophobicContact CD1-CZ 3.82Å; Y284-F293 AromaticContact CE1-CE2 3.62Å; Y284-F293 HydrophobicContact CE1-CE2 3.62Å; Y284-F293 AromaticContact CE1-CZ 3.39Å; Y284-F293 HydrophobicContact CE1-CZ 3.39Å; Y284-F293 AromaticContact CZ-CZ 3.84Å; Y284-M301 HydrophobicContact CD2-CE 3.53Å; Y284-M301 HydrophobicContact CD2-SD 3.7Å; Y284-M301 HydrophobicContact CE2-CE 3.58Å; Y284-M301 HydrophobicContact CE2-SD 4.37Å; Y284-M301 HydrophobicContact CG-CE 4.14Å; Y284-M301 HydrophobicContact CG-CG 4.49Å; Y284-M301 HydrophobicContact CG-SD 3.93Å
285	K	90.4	Very high	90.7	Very high	78 Å²	78	54 Å²	54	34%	0.339	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-40.5	-173.2	-172.4	179.2	178.3	-178.3	0	115.4	N163 P281 L310	N163-K285 PolarHBondContact ND2-O 3.45Å; P281-K285 PolarHBondContact O-N 3.41Å; K285-L310 HydrophobicContact CD-CD2 4.46Å
286	D	89.1	Confident	91.6	Very high	83 Å²	83	48.2 Å²	48.2	44%	0.444	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	0.1	-171.5	-60.5	-34.1	0	0	0	113.6	Y284 Y317	Y284-D286 VanDerWaalsContact C-N 3.26Å; Y284-D286 PolarHBondContact O-N 3.27Å; D286-Y317 WeakPolarHBondContact OD2-CE1 3.39Å; D286-Y317 PolarHBondContact OD2-OH 3.36Å; D286-Y317 VanDerWaalsContact OD2-OH 3.14Å
287	V	94.1	Very high	92.2	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.055	25%	0.249	C	C	.	.			trans	-74.8	162	175.3	-49.6	0	0	0	0	110.3	H160 N163 L269 Y284 V290	H160-V287 VanDerWaalsContact CB-O 3.31Å; H160-V287 WeakPolarHBondContact CB-O 3.15Å; N163-V287 PolarHBondContact ND2-O 3.03Å; L269-V287 HydrophobicContact CD1-CG1 4.45Å; L269-V287 HydrophobicContact CD2-CG1 4.26Å; Y284-V287 WeakPolarHBondContact O-CG2 3.37Å; Y284-V287 PolarHBondContact O-N 3.42Å; Y284-V287 VanDerWaalsContact O-N 3.13Å; V287-V290 HydrophobicContact CB-CG2 4.16Å; V287-V290 HydrophobicContact CG1-CG2 4.14Å; V287-V290 HydrophobicContact CG2-CG2 3.67Å
288	L	96.9	Very high	92.9	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	22%	0.223	C	C	.	.	S	Bend	trans	-87.3	-47.8	165.1	-63.6	-168.6	0	0	0	110.3	A159 H160 N163 M164 Y167 L221 H261 G263 V264	A159-L288 CarbonylContact C-O 3.59Å; A159-L288 WeakPolarHBondContact CA-O 3.22Å; H160-L288 PolarHBondContact N-O 2.93Å; N163-L288 HydrophobicContact CB-CD2 3.61Å; M164-L288 HydrophobicContact CE-CB 4.32Å; M164-L288 WeakPolarHBondContact CE-O 3.38Å; M164-L288 HydrophobicContact CG-CB 4.29Å; M164-L288 HydrophobicContact CG-CD2 4.1Å; Y167-L288 HydrophobicContact CD1-CD1 4.32Å; L221-L288 HydrophobicContact CD1-CD1 3.94Å; H261-L288 WeakPolarHBondContact CE1-CD1 3.49Å; H261-L288 WeakPolarHBondContact ND1-CD1 3.06Å; G263-L288 WeakPolarHBondContact O-CA 3.34Å; G263-L288 PolarHBondContact O-N 3.38Å; V264-L288 HydrophobicContact CG2-CB 4.08Å; V264-L288 HydrophobicContact CG2-CD1 4.22Å
289	L	96.5	Very high	93.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	138.1	-173.7	-179.3	151.1	0	0	0	110.4	L151 V157 F158 M164 G263 V264 K265 T266	L151-L289 HydrophobicContact CD1-CD1 4.13Å; V157-L289 HydrophobicContact CB-CD1 4.16Å; V157-L289 HydrophobicContact CB-CD2 4.17Å; V157-L289 HydrophobicContact CB-CG 3.99Å; V157-L289 HydrophobicContact CG1-CD1 4.42Å; V157-L289 HydrophobicContact CG1-CD2 4.06Å; V157-L289 HydrophobicContact CG1-CG 4.37Å; V157-L289 HydrophobicContact CG2-CD1 3.78Å; V157-L289 HydrophobicContact CG2-CG 4.08Å; F158-L289 CarbonylContact O-C 3.56Å; F158-L289 WeakPolarHBondContact O-CA 3.19Å; M164-L289 HydrophobicContact CE-CB 4.15Å; M164-L289 HydrophobicContact CE-CD1 4.49Å; G263-L289 PolarHBondContact O-N 2.93Å; G263-L289 VanDerWaalsContact O-N 3.08Å; V264-L289 HydrophobicContact CG1-CD2 4.32Å; K265-L289 PolarHBondContact N-O 3.31Å; T266-L289 HydrophobicContact CG2-CD2 4.46Å
290	V	96.1	Very high	93.9	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.7	172.8	169	0	0	0	0	110.4	V157 F158 K265 L269 Y284 V287 F293	V157-V290 WeakPolarHBondContact CA-O 3.42Å; F158-V290 PolarHBondContact N-O 3.39Å; F158-V290 PolarHBondContact O-N 3.32Å; K265-V290 HydrophobicContact CB-CB 4.47Å; K265-V290 HydrophobicContact CB-CG2 3.73Å; K265-V290 HydrophobicContact CG-CG2 4.19Å; K265-V290 WeakPolarHBondContact O-CA 3.34Å; L269-V290 HydrophobicContact CD1-CG2 4.08Å; L269-V290 HydrophobicContact CD2-CG2 4.26Å; L269-V290 HydrophobicContact CG-CG1 4.47Å; L269-V290 HydrophobicContact CG-CG2 3.84Å; Y284-V290 HydrophobicContact CD1-CB 4.37Å; Y284-V290 HydrophobicContact CD1-CG1 4.42Å; Y284-V290 HydrophobicContact CD1-CG2 4.13Å; Y284-V290 HydrophobicContact CE1-CB 4.43Å; Y284-V290 HydrophobicContact CE1-CG1 3.98Å; Y284-V290 HydrophobicContact CE1-CG2 4.39Å; V287-V290 HydrophobicContact CB-CG2 4.16Å; V287-V290 HydrophobicContact CG1-CG2 4.14Å; V287-V290 HydrophobicContact CG2-CG2 3.67Å; V290-F293 HydrophobicContact CB-CE2 4.42Å; V290-F293 HydrophobicContact CG1-CE2 3.97Å
291	H	94.8	Very high	94.2	Very high	51 Å²	51	46.5 Å²	46.5	24%	0.236	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.8	167.1	-175	-97.2	0	0	0	109.8	D156 V157 K265 T266 G268	D156-H291 IonicContact OD1-CD2 3.28Å; D156-H291 PolarHBondContact OD1-CD2 3.3Å; D156-H291 VanDerWaalsContact OD1-CD2 3.28Å; D156-H291 IonicContact OD1-NE2 3.05Å; D156-H291 PolarHBondContact OD1-NE2 3.03Å; D156-H291 IonicContact OD2-CD2 3.8Å; D156-H291 IonicContact OD2-NE2 2.8Å; D156-H291 PolarHBondContact OD2-NE2 3.43Å; V157-H291 HydrophobicContact CG1-CB 4.36Å; K265-H291 PolarHBondContact O-N 3.25Å; T266-H291 WeakPolarHBondContact O-CB 3.47Å; G268-H291 WeakPolarHBondContact CA-O 3.38Å; G268-H291 PolarHBondContact N-O 3.19Å
292	R	93.3	Very high	94.3	Very high	183 Å²	183	46.6 Å²	46.6	69%	0.691	23%	0.229	S	C	*	.			cis	-126.9	158.2	-2.5	62.5	-175.4	-178.4	-179.9	0.2	111.7	D156	D156-R292 CarbonylContact O-C 3.58Å; D156-R292 VanDerWaalsContact O-CA 3.25Å; D156-R292 WeakPolarHBondContact O-CA 3.03Å
293	F	94.4	Very high	94.6	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	25%	0.245	C	C	.	.			trans	-131.8	135.6	176.2	-83.7	-102.6	0	0	0	111.5	D156 F158 F279 Y284 V290 Q297 M298 M301	D156-F293 PolarHBondContact O-N 3.07Å; F158-F293 HydrophobicContact CB-CB 4.39Å; F158-F293 HydrophobicContact CB-CD1 4.39Å; F158-F293 HydrophobicContact CB-CD2 3.32Å; F158-F293 HydrophobicContact CB-CE2 3.56Å; F158-F293 HydrophobicContact CB-CG 3.79Å; F158-F293 HydrophobicContact CB-CZ 4.2Å; F158-F293 HydrophobicContact CD1-CE2 4.41Å; F158-F293 HydrophobicContact CD1-CZ 4.49Å; F158-F293 HydrophobicContact CG-CD2 4.32Å; F158-F293 HydrophobicContact CG-CE2 4.21Å; F158-F293 HydrophobicContact CG-CZ 4.41Å; F279-F293 HydrophobicContact CD1-CE1 4.12Å; F279-F293 HydrophobicContact CD1-CZ 4.46Å; F279-F293 HydrophobicContact CE1-CE1 4.03Å; F279-F293 HydrophobicContact CE1-CZ 4.38Å; Y284-F293 HydrophobicContact CD1-CE2 4.06Å; Y284-F293 AromaticContact CD1-CZ 3.82Å; Y284-F293 HydrophobicContact CD1-CZ 3.82Å; Y284-F293 AromaticContact CE1-CE2 3.62Å; Y284-F293 HydrophobicContact CE1-CE2 3.62Å; Y284-F293 AromaticContact CE1-CZ 3.39Å; Y284-F293 HydrophobicContact CE1-CZ 3.39Å; Y284-F293 AromaticContact CZ-CZ 3.84Å; V290-F293 HydrophobicContact CB-CE2 4.42Å; V290-F293 HydrophobicContact CG1-CE2 3.97Å; F293-Q297 HydrophobicContact CD1-CB 3.78Å; F293-Q297 HydrophobicContact CE1-CB 4.45Å; F293-M298 HydrophobicContact CB-CB 4.03Å; F293-M298 HydrophobicContact CB-CE 3.95Å; F293-M298 HydrophobicContact CB-CG 4.4Å; F293-M301 HydrophobicContact CD1-CB 4.34Å; F293-M301 HydrophobicContact CE1-CB 3.74Å; F293-M301 HydrophobicContact CE1-CE 3.99Å; F293-M301 HydrophobicContact CE1-CG 3.79Å; F293-M301 HydrophobicContact CZ-CB 4.48Å; F293-M301 HydrophobicContact CZ-CE 4.1Å; F293-M301 HydrophobicContact CZ-CG 4.04Å
294	L	95.7	Very high	94.8	Very high	97 Å²	97	51.7 Å²	51.7	51%	0.508	26%	0.256	S	S	.	.			trans	-75.1	157.6	166.1	-62	178	0	0	0	110.5	A296 Q297 M298	L294-A296 PolarHBondContact O-N 3.48Å; L294-Q297 HydrophobicContact CB-CG 4.29Å; L294-Q297 VanDerWaalsContact N-OE1 3.14Å; L294-Q297 WeakPolarHBondContact O-CB 3.32Å; L294-Q297 PolarHBondContact O-N 3.2Å; L294-Q297 VanDerWaalsContact O-N 3.08Å; L294-M298 WeakPolarHBondContact O-CB 2.94Å; L294-M298 PolarHBondContact O-N 3.29Å
295	P	96.8	Very high	94.9	Very high	26 Å²	26	51.4 Å²	51.4	17%	0.169	26%	0.256	C	S	.	.	H	α-helix	trans	-50.9	-50.7	-176.6	-29	34.8	0	0	0	114	R66 V69 Q297 M298 Y299	R66-P295 HydrophobicContact CG-CG 3.99Å; V69-P295 HydrophobicContact CB-CB 4.38Å; V69-P295 HydrophobicContact CG2-CB 3.83Å; P295-Q297 PolarHBondContact O-N 3.45Å; P295-M298 WeakPolarHBondContact O-CB 3.49Å; P295-M298 PolarHBondContact O-N 3.08Å; P295-Y299 PolarHBondContact O-N 2.78Å
296	A	96.4	Very high	94.9	Very high	80 Å²	80	51.4 Å²	51.4	66%	0.661	26%	0.257	S	S	*	.	H	α-helix	trans	-63.3	-41.3	179.3	0	0	0	0	0	112.8	L294 M298 Y299 L300	L294-A296 PolarHBondContact O-N 3.48Å; A296-M298 VanDerWaalsContact C-N 3.33Å; A296-M298 PolarHBondContact O-N 3.38Å; A296-Y299 PolarHBondContact O-N 3.22Å; A296-L300 PolarHBondContact O-N 3Å
297	Q	94.8	Very high	95.1	Very high	72 Å²	72	51 Å²	51	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-40.9	177.2	-65.8	173.2	-28.4	0	0	111.1	F293 L294 P295 L300 M301	F293-Q297 HydrophobicContact CD1-CB 3.78Å; F293-Q297 HydrophobicContact CE1-CB 4.45Å; L294-Q297 HydrophobicContact CB-CG 4.29Å; L294-Q297 VanDerWaalsContact N-OE1 3.14Å; L294-Q297 WeakPolarHBondContact O-CB 3.32Å; L294-Q297 PolarHBondContact O-N 3.2Å; L294-Q297 VanDerWaalsContact O-N 3.08Å; P295-Q297 PolarHBondContact O-N 3.45Å; Q297-L300 PolarHBondContact O-N 3.26Å; Q297-M301 WeakPolarHBondContact O-CB 3.16Å; Q297-M301 PolarHBondContact O-N 3.38Å
298	M	96.1	Very high	94.8	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-43.7	178.6	-164.2	-177.8	-58.5	0	0	111.4	V69 L70 W74 V157 F158 F293 L294 P295 A296 W302	V69-M298 HydrophobicContact CG1-CB 4.15Å; V69-M298 HydrophobicContact CG1-CG 4.39Å; V69-M298 HydrophobicContact CG1-SD 4.21Å; L70-M298 HydrophobicContact CD1-CE 3.91Å; L70-M298 HydrophobicContact CD1-SD 3.39Å; L70-M298 WeakPolarHBondContact CD1-SD 3.1Å; L70-M298 HydrophobicContact CG-SD 4.17Å; W74-M298 PolarHBondContact NE1-SD 3.03Å; V157-M298 VanDerWaalsContact O-CE 3.27Å; V157-M298 WeakPolarHBondContact O-CE 3.49Å; F158-M298 HydrophobicContact CD2-CG 4.1Å; F293-M298 HydrophobicContact CB-CB 4.03Å; F293-M298 HydrophobicContact CB-CE 3.95Å; F293-M298 HydrophobicContact CB-CG 4.4Å; L294-M298 WeakPolarHBondContact O-CB 2.94Å; L294-M298 PolarHBondContact O-N 3.29Å; P295-M298 WeakPolarHBondContact O-CB 3.49Å; P295-M298 PolarHBondContact O-N 3.08Å; A296-M298 VanDerWaalsContact C-N 3.33Å; A296-M298 PolarHBondContact O-N 3.38Å; M298-W302 VanDerWaalsContact O-CB 3.28Å; M298-W302 WeakPolarHBondContact O-CB 3.43Å; M298-W302 PolarHBondContact O-N 2.92Å
299	Y	96.5	Very high	94.6	Very high	108 Å²	108	65.1 Å²	65.1	42%	0.424	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-48.7	176.3	-170.1	-89.4	0	0	0	111.4	K72 T73 P295 A296 H303	K72-Y299 HydrophobicContact CB-CE2 4.28Å; T73-Y299 HydrophobicContact CG2-CD2 3.94Å; P295-Y299 PolarHBondContact O-N 2.78Å; A296-Y299 PolarHBondContact O-N 3.22Å; Y299-H303 AromaticContact CD1-ND1 3.82Å; Y299-H303 AromaticContact CD2-CE1 3.94Å; Y299-H303 AromaticContact CE1-CE1 3.58Å; Y299-H303 AromaticContact CE1-ND1 3.69Å; Y299-H303 AromaticContact CE2-CE1 3.49Å; Y299-H303 VanDerWaalsContact CE2-CE1 3.49Å; Y299-H303 WeakPolarHBondContact CE2-CE1 3.31Å; Y299-H303 AromaticContact CZ-CE1 3.3Å; Y299-H303 AromaticContact CZ-ND1 3.9Å; Y299-H303 PolarHBondContact O-N 2.92Å; Y299-H303 PolarHBondContact O-ND1 3.03Å
300	L	95.6	Very high	94.3	Very high	118 Å²	118	67 Å²	67	62%	0.618	34%	0.338	S	S	*	.	H	α-helix	trans	-61.5	-53.9	177.6	-178	64	0	0	0	111.1	A296 Q297 W302 H303 S304	A296-L300 PolarHBondContact O-N 3Å; Q297-L300 PolarHBondContact O-N 3.26Å; L300-W302 VanDerWaalsContact C-N 3.3Å; L300-W302 PolarHBondContact O-N 3.05Å; L300-H303 PolarHBondContact O-N 3.09Å; L300-H303 VanDerWaalsContact O-N 3.14Å; L300-S304 WeakPolarHBondContact O-CB 3.34Å; L300-S304 PolarHBondContact O-N 3.2Å; L300-S304 PolarHBondContact O-OG 3.47Å
301	M	95.4	Very high	93.8	Very high	7 Å²	7	75.3 Å²	75.3	3%	0.034	37%	0.374	C	S	.	.	H	α-helix	trans	-58.7	-39.9	-177.7	-176.3	60.6	69.3	0	0	112.4	F158 F279 P281 Y284 F293 Q297 S304 T305	F158-M301 HydrophobicContact CD1-CG 4.05Å; F158-M301 HydrophobicContact CD2-CB 4.44Å; F158-M301 HydrophobicContact CD2-CG 4.19Å; F158-M301 HydrophobicContact CE1-CG 3.65Å; F158-M301 HydrophobicContact CE2-CB 4.16Å; F158-M301 HydrophobicContact CE2-CG 3.84Å; F158-M301 HydrophobicContact CG-CG 4.3Å; F158-M301 HydrophobicContact CZ-CB 4.35Å; F158-M301 HydrophobicContact CZ-CG 3.57Å; F279-M301 HydrophobicContact CB-CE 4.11Å; F279-M301 HydrophobicContact CD1-CE 4.05Å; F279-M301 WeakPolarHBondContact O-CE 3.19Å; P281-M301 HydrophobicContact CB-SD 4.2Å; P281-M301 HydrophobicContact CG-SD 4.47Å; Y284-M301 HydrophobicContact CD2-CE 3.53Å; Y284-M301 HydrophobicContact CD2-SD 3.7Å; Y284-M301 HydrophobicContact CE2-CE 3.58Å; Y284-M301 HydrophobicContact CE2-SD 4.37Å; Y284-M301 HydrophobicContact CG-CE 4.14Å; Y284-M301 HydrophobicContact CG-CG 4.49Å; Y284-M301 HydrophobicContact CG-SD 3.93Å; F293-M301 HydrophobicContact CD1-CB 4.34Å; F293-M301 HydrophobicContact CE1-CB 3.74Å; F293-M301 HydrophobicContact CE1-CE 3.99Å; F293-M301 HydrophobicContact CE1-CG 3.79Å; F293-M301 HydrophobicContact CZ-CB 4.48Å; F293-M301 HydrophobicContact CZ-CE 4.1Å; F293-M301 HydrophobicContact CZ-CG 4.04Å; Q297-M301 WeakPolarHBondContact O-CB 3.16Å; Q297-M301 PolarHBondContact O-N 3.38Å; M301-S304 PolarHBondContact O-N 2.01Å; M301-T305 HydrophobicContact CG-CG2 4.33Å; M301-T305 WeakPolarHBondContact O-CB 3.28Å; M301-T305 VanDerWaalsContact O-CG2 3.32Å; M301-T305 WeakPolarHBondContact O-CG2 3.37Å; M301-T305 PolarHBondContact O-N 2.85Å; M301-T305 PolarHBondContact O-OG1 3.05Å; M301-T305 HydrophobicContact SD-CG2 3.89Å
302	W	96	Very high	93.4	Very high	25 Å²	25	74.2 Å²	74.2	10%	0.095	37%	0.372	C	S	.	.	H	α-helix	trans	-57.6	-54.4	174.6	178.2	-107	0	0	0	111.2	T73 W74 F158 M298 L300 S304 T305 Q306	T73-W302 HydrophobicContact CG2-CB 3.81Å; T73-W302 HydrophobicContact CG2-CG 3.86Å; W74-W302 HydrophobicContact CB-CD2 4.5Å; W74-W302 HydrophobicContact CB-CE3 3.79Å; W74-W302 HydrophobicContact CB-CH2 4.2Å; W74-W302 HydrophobicContact CB-CZ3 3.62Å; F158-W302 HydrophobicContact CE2-CB 4.05Å; F158-W302 HydrophobicContact CE2-CE3 4.11Å; F158-W302 HydrophobicContact CZ-CE3 4.43Å; M298-W302 VanDerWaalsContact O-CB 3.28Å; M298-W302 WeakPolarHBondContact O-CB 3.43Å; M298-W302 PolarHBondContact O-N 2.92Å; L300-W302 VanDerWaalsContact C-N 3.3Å; L300-W302 PolarHBondContact O-N 3.05Å; W302-S304 VanDerWaalsContact C-N 3.31Å; W302-S304 PolarHBondContact O-N 3.16Å; W302-T305 PolarHBondContact O-N 2.86Å; W302-T305 PolarHBondContact O-OG1 2.74Å; W302-Q306 HydrophobicContact CD2-CG 4.12Å; W302-Q306 HydrophobicContact CE3-CG 4.5Å; W302-Q306 HydrophobicContact CH2-CG 4.37Å; W302-Q306 HydrophobicContact CZ2-CG 3.98Å; W302-Q306 VanDerWaalsContact O-CG 3.29Å; W302-Q306 WeakPolarHBondContact O-CG 3.41Å; W302-Q306 PolarHBondContact O-N 2.96Å
303	H	95.3	Very high	92.7	Very high	84 Å²	84	70.6 Å²	70.6	39%	0.389	37%	0.366	S	S	.	.	H	α-helix	trans	-65.6	-35.8	-178.7	-68.8	85	0	0	0	112.4	Y299 L300 Q306 N307	Y299-H303 AromaticContact CD1-ND1 3.82Å; Y299-H303 AromaticContact CD2-CE1 3.94Å; Y299-H303 AromaticContact CE1-CE1 3.58Å; Y299-H303 AromaticContact CE1-ND1 3.69Å; Y299-H303 AromaticContact CE2-CE1 3.49Å; Y299-H303 VanDerWaalsContact CE2-CE1 3.49Å; Y299-H303 WeakPolarHBondContact CE2-CE1 3.31Å; Y299-H303 AromaticContact CZ-CE1 3.3Å; Y299-H303 AromaticContact CZ-ND1 3.9Å; Y299-H303 PolarHBondContact O-N 2.92Å; Y299-H303 PolarHBondContact O-ND1 3.03Å; L300-H303 PolarHBondContact O-N 3.09Å; L300-H303 VanDerWaalsContact O-N 3.14Å; H303-Q306 PolarHBondContact O-N 2.88Å; H303-N307 PolarHBondContact O-N 2.9Å
304	S	94.8	Very high	91.3	Very high	33 Å²	33	76.5 Å²	76.5	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-66.4	-40.5	177.2	-57.8	0	0	0	0	112.6	L300 M301 W302 N307	L300-S304 WeakPolarHBondContact O-CB 3.34Å; L300-S304 PolarHBondContact O-N 3.2Å; L300-S304 PolarHBondContact O-OG 3.47Å; M301-S304 PolarHBondContact O-N 2.01Å; W302-S304 VanDerWaalsContact C-N 3.31Å; W302-S304 PolarHBondContact O-N 3.16Å; S304-N307 WeakPolarHBondContact O-CB 3.2Å; S304-N307 PolarHBondContact O-N 2.88Å
305	T	94.1	Very high	89.7	Confident	10 Å²	10	78.7 Å²	78.7	6%	0.061	41%	0.406	C	S	.	.	H	α-helix	trans	-74	-26.5	177.3	56.2	0	0	0	0	113.5	F158 P281 M301 W302 N307	F158-T305 HydrophobicContact CE1-CG2 4.32Å; F158-T305 HydrophobicContact CZ-CG2 4.1Å; P281-T305 HydrophobicContact CB-CG2 3.88Å; M301-T305 HydrophobicContact CG-CG2 4.33Å; M301-T305 WeakPolarHBondContact O-CB 3.28Å; M301-T305 VanDerWaalsContact O-CG2 3.32Å; M301-T305 WeakPolarHBondContact O-CG2 3.37Å; M301-T305 PolarHBondContact O-N 2.85Å; M301-T305 PolarHBondContact O-OG1 3.05Å; M301-T305 HydrophobicContact SD-CG2 3.89Å; W302-T305 PolarHBondContact O-N 2.86Å; W302-T305 PolarHBondContact O-OG1 2.74Å; T305-N307 VanDerWaalsContact C-N 3.33Å
306	Q	91.1	Very high	88.1	Confident	78 Å²	78	79.1 Å²	79.1	36%	0.364	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.2	174.6	-61.1	-46.8	-66.3	0	0	113.3	W302 H303 P308	W302-Q306 HydrophobicContact CD2-CG 4.12Å; W302-Q306 HydrophobicContact CE3-CG 4.5Å; W302-Q306 HydrophobicContact CH2-CG 4.37Å; W302-Q306 HydrophobicContact CZ2-CG 3.98Å; W302-Q306 VanDerWaalsContact O-CG 3.29Å; W302-Q306 WeakPolarHBondContact O-CG 3.41Å; W302-Q306 PolarHBondContact O-N 2.96Å; H303-Q306 PolarHBondContact O-N 2.88Å; Q306-P308 WeakPolarHBondContact O-CD 3.44Å
307	N	92.3	Very high	86.3	Confident	75 Å²	75	79.2 Å²	79.2	40%	0.401	39%	0.389	S	S	.	.			trans	-66.9	116.6	-178.7	-176.9	-5	0	0	0	110.8	H303 S304 T305 K309 L310	H303-N307 PolarHBondContact O-N 2.9Å; S304-N307 WeakPolarHBondContact O-CB 3.2Å; S304-N307 PolarHBondContact O-N 2.88Å; T305-N307 VanDerWaalsContact C-N 3.33Å; N307-K309 PolarHBondContact O-N 3.47Å; N307-K309 VanDerWaalsContact O-N 3.09Å; N307-K309 WeakPolarHBondContact OD1-CB 3.45Å; N307-K309 PolarHBondContact OD1-N 3.36Å; N307-L310 HydrophobicContact CB-CB 4.38Å; N307-L310 WeakPolarHBondContact O-CB 3.49Å; N307-L310 PolarHBondContact O-N 3.34Å
308	P	88.8	Confident	84.3	Confident	132 Å²	132	81 Å²	81	86%	0.857	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.9	178.9	-22	34.2	0	0	0	113.7	Q306 L310	Q306-P308 WeakPolarHBondContact O-CD 3.44Å; P308-L310 VanDerWaalsContact C-N 3.35Å
309	K	91.3	Very high	82.5	Confident	179 Å²	179	83.1 Å²	83.1	78%	0.778	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.2	177.2	-57.6	-178.7	-179.8	179.1	0	113.2	N307 K311	N307-K309 PolarHBondContact O-N 3.47Å; N307-K309 VanDerWaalsContact O-N 3.09Å; N307-K309 WeakPolarHBondContact OD1-CB 3.45Å; N307-K309 PolarHBondContact OD1-N 3.36Å; K309-K311 PolarHBondContact O-N 2.97Å; K309-K311 VanDerWaalsContact O-N 3.13Å
310	L	90.1	Very high	80.5	Confident	39 Å²	39	81.6 Å²	81.6	20%	0.204	41%	0.405	C	S	.	.			trans	-62.6	114.3	176	179.8	68.3	0	0	0	109.2	P281 K285 N307 P308	P281-L310 HydrophobicContact CB-CD1 4.01Å; P281-L310 HydrophobicContact CB-CD2 3.82Å; P281-L310 HydrophobicContact CG-CD1 4.24Å; K285-L310 HydrophobicContact CD-CD2 4.46Å; N307-L310 HydrophobicContact CB-CB 4.38Å; N307-L310 WeakPolarHBondContact O-CB 3.49Å; N307-L310 PolarHBondContact O-N 3.34Å; P308-L310 VanDerWaalsContact C-N 3.35Å
311	K	87.5	Confident	78.3	Confident	179 Å²	179	79.7 Å²	79.7	78%	0.778	40%	0.399	S	S	*	.			trans	-100.9	130.8	171.3	-62.3	-171.8	-178.9	-175.9	0	108.6	K309	K309-K311 PolarHBondContact O-N 2.97Å; K309-K311 VanDerWaalsContact O-N 3.13Å
312	C	85.4	Confident	76	Confident	28 Å²	28	86.4 Å²	86.4	19%	0.189	43%	0.428	C	S	.	.			trans	-117	116.2	177.7	-62.7	0	0	0	0	108.4	C282 Y317	C282-C312 WeakPolarHBondContact CA-SG 3.22Å; C282-C312 HydrophobicContact CB-CB 3.66Å; C282-C312 WeakPolarHBondContact CB-SG 3.43Å; C282-C312 WeakPolarHBondContact SG-CA 3.35Å; C282-C312 WeakPolarHBondContact SG-CB 3.49Å; C282-C312 CovalentContact SG-SG 2.04Å; C282-C312 PolarHBondContact SG-SG 3.39Å; C312-Y317 HydrophobicContact CB-CE2 4.12Å
313	D	79.1	Confident	73.5	Confident	106 Å²	106	91.4 Å²	91.4	57%	0.567	45%	0.45	S	S	*	.			trans	-82.4	156.5	-178.7	-56.1	-31.5	0	0	0	111.2	E315 H316	D313-E315 PolarHBondContact O-N 3.2Å; D313-E315 VanDerWaalsContact O-N 3.09Å; D313-H316 WeakPolarHBondContact O-CB 3.41Å; D313-H316 PolarHBondContact O-N 3.03Å
314	D	64.6	Low	70.7	Confident	128 Å²	128	91.3 Å²	91.3	68%	0.684	46%	0.456	S	S	*	.	H	α-helix	trans	-57.5	-26.5	-176.5	-75	-31.9	0	0	0	114.1	H316 Y317 Q318	D314-H316 PolarHBondContact O-N 3.49Å; D314-Y317 PolarHBondContact O-N 2.92Å; D314-Y317 VanDerWaalsContact O-N 3.1Å; D314-Q318 WeakPolarHBondContact O-CG 3.26Å; D314-Q318 PolarHBondContact O-N 3.47Å
315	E	61.9	Low	67.7	Low	144 Å²	144	97.9 Å²	97.9	67%	0.673	49%	0.485	S	S	*	.	H	α-helix	trans	-58.2	-34.7	175	-75.7	-166.2	156.7	0	0	112.7	D313 L319	D313-E315 PolarHBondContact O-N 3.2Å; D313-E315 VanDerWaalsContact O-N 3.09Å; E315-L319 WeakPolarHBondContact O-CD1 3.34Å; E315-L319 WeakPolarHBondContact O-CG 3.37Å; E315-L319 PolarHBondContact O-N 3.33Å
316	H	63.1	Low	64.6	Low	34 Å²	34	102 Å²	102	16%	0.157	51%	0.51	C	S	.	.	H	α-helix	trans	-68.6	-38.5	177	-67.6	79.7	0	0	0	111.3	S280 C282 F283 D313 D314 Q320	S280-H316 PolarHBondContact OG-CD2 3.36Å; S280-H316 PolarHBondContact OG-NE2 2.89Å; S280-H316 VanDerWaalsContact OG-NE2 3.12Å; C282-H316 HydrophobicContact CB-CB 4.24Å; F283-H316 HydrophobicContact CD1-CB 4.37Å; F283-H316 HydrophobicContact CE1-CB 3.9Å; F283-H316 AromaticContact CE1-CD2 3.69Å; F283-H316 AromaticContact CE2-CD2 3.66Å; F283-H316 HydrophobicContact CZ-CB 4.4Å; F283-H316 AromaticContact CZ-CD2 3.38Å; F283-H316 WeakPolarHBondContact CZ-CD2 3.39Å; D313-H316 WeakPolarHBondContact O-CB 3.41Å; D313-H316 PolarHBondContact O-N 3.03Å; D314-H316 PolarHBondContact O-N 3.49Å; H316-Q320 PolarHBondContact O-N 3.05Å
317	Y	58	Low	61.7	Low	83 Å²	83	102.8 Å²	102.8	33%	0.325	52%	0.524	S	S	.	.	H	α-helix	trans	-72.2	-37.4	177.4	-75.8	-75.4	0	0	0	112.5	D286 C312 D314 Q320 T321	D286-Y317 WeakPolarHBondContact OD2-CE1 3.39Å; D286-Y317 PolarHBondContact OD2-OH 3.36Å; D286-Y317 VanDerWaalsContact OD2-OH 3.14Å; C312-Y317 HydrophobicContact CB-CE2 4.12Å; D314-Y317 PolarHBondContact O-N 2.92Å; D314-Y317 VanDerWaalsContact O-N 3.1Å; Y317-Q320 PolarHBondContact O-N 3.22Å; Y317-T321 WeakPolarHBondContact O-CG2 3.49Å; Y317-T321 PolarHBondContact O-N 3.21Å; Y317-T321 PolarHBondContact O-OG1 3.06Å
318	Q	54	Low	58.7	Low	109 Å²	109	102.8 Å²	102.8	51%	0.509	54%	0.535	S	S	.	.	H	α-helix	trans	-68.3	-34.7	177.3	-70.5	-144.9	4.5	0	0	113.3	D314 Q320 T321 K322	D314-Q318 WeakPolarHBondContact O-CG 3.26Å; D314-Q318 PolarHBondContact O-N 3.47Å; Q318-Q320 VanDerWaalsContact C-N 3.33Å; Q318-T321 WeakPolarHBondContact CA-OG1 3.34Å; Q318-T321 PolarHBondContact O-N 3.07Å; Q318-T321 PolarHBondContact O-OG1 2.92Å; Q318-K322 WeakPolarHBondContact O-CB 3.34Å; Q318-K322 WeakPolarHBondContact O-CG 3.25Å; Q318-K322 PolarHBondContact O-N 3.09Å; Q318-K322 VanDerWaalsContact O-N 3.11Å
319	L	57.8	Low	55.9	Low	47 Å²	47	105.1 Å²	105.1	25%	0.246	53%	0.532	C	S	.	.	H	α-helix	trans	-71.1	-28	177	-73.6	166.4	0	0	0	112.8	P272 I276 E315	P272-L319 HydrophobicContact CG-CD2 4.19Å; I276-L319 HydrophobicContact CD1-CD1 3.28Å; E315-L319 WeakPolarHBondContact O-CD1 3.34Å; E315-L319 WeakPolarHBondContact O-CG 3.37Å; E315-L319 PolarHBondContact O-N 3.33Å
320	Q	54.1	Low	52.9	Low	75 Å²	75	106.5 Å²	106.5	35%	0.35	56%	0.561	S	S	.	*	H	α-helix	trans	-76.5	-33.7	173.1	-72.4	-170.3	-15.3	0	0	113	F283 H316 Y317 Q318	F283-Q320 HydrophobicContact CD1-CG 4.11Å; F283-Q320 PolarHBondContact O-NE2 2.61Å; H316-Q320 PolarHBondContact O-N 3.05Å; Y317-Q320 PolarHBondContact O-N 3.22Å; Q318-Q320 VanDerWaalsContact C-N 3.33Å
321	T	50.5	Low	51	Low	78 Å²	78	109.9 Å²	109.9	48%	0.479	58%	0.579	S	S	.	*	H	α-helix	trans	-89.5	-24.2	-173.3	46.5	0	0	0	0	114.7	Y317 Q318 K323 T324	Y317-T321 WeakPolarHBondContact O-CG2 3.49Å; Y317-T321 PolarHBondContact O-N 3.21Å; Y317-T321 PolarHBondContact O-OG1 3.06Å; Q318-T321 WeakPolarHBondContact CA-OG1 3.34Å; Q318-T321 PolarHBondContact O-N 3.07Å; Q318-T321 PolarHBondContact O-OG1 2.92Å; T321-K323 PolarHBondContact O-N 3.18Å; T321-T324 PolarHBondContact O-N 3.14Å; T321-T324 VanDerWaalsContact O-N 3.1Å; T321-T324 PolarHBondContact O-OG1 3.39Å
322	K	46.6	Very low	49.1	Very low	149 Å²	149	106.2 Å²	106.2	65%	0.648	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-8	-179.3	-85.9	-179.3	-175.7	179.3	0	115.5	Q318 T326	Q318-K322 WeakPolarHBondContact O-CB 3.34Å; Q318-K322 WeakPolarHBondContact O-CG 3.25Å; Q318-K322 PolarHBondContact O-N 3.09Å; Q318-K322 VanDerWaalsContact O-N 3.11Å; K322-T326 PolarHBondContact O-OG1 3.06Å
323	K	44.1	Very low	47.1	Very low	129 Å²	129	110.6 Å²	110.6	56%	0.561	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-15.9	171.9	-102.8	-175.3	177.8	-179.8	0	116.2	T321 M325 T326 S327	T321-K323 PolarHBondContact O-N 3.18Å; K323-M325 PolarHBondContact O-N 3.37Å; K323-T326 WeakPolarHBondContact CA-OG1 3.45Å; K323-T326 PolarHBondContact O-N 2.91Å; K323-S327 PolarHBondContact O-N 3.18Å; K323-S327 VanDerWaalsContact O-N 3.12Å; K323-S327 PolarHBondContact O-OG 3.42Å
324	T	36.5	Very low	45.2	Very low	83 Å²	83	110.8 Å²	110.8	51%	0.509	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	-21.3	177.6	-21.9	0	0	0	0	111.9	M262 T321	M262-T324 HydrophobicContact SD-CG2 4.38Å; T321-T324 PolarHBondContact O-N 3.14Å; T321-T324 VanDerWaalsContact O-N 3.1Å; T321-T324 PolarHBondContact O-OG1 3.39Å
325	M	30	Very low	44	Very low	171 Å²	171	109.8 Å²	109.8	84%	0.842	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-15.2	171.7	-74.6	-162.9	-119.5	0	0	114.9	K323	K323-M325 PolarHBondContact O-N 3.37Å
326	T	30.2	Very low	42.8	Very low	95 Å²	95	107.5 Å²	107.5	58%	0.583	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-5.1	-179.1	28.8	0	0	0	0	114.2	K322 K323	K322-T326 PolarHBondContact O-OG1 3.06Å; K323-T326 WeakPolarHBondContact CA-OG1 3.45Å; K323-T326 PolarHBondContact O-N 2.91Å
327	S	30.4	Very low	41.4	Very low	95 Å²	95	112.7 Å²	112.7	66%	0.664	61%	0.61	S	S	*	*	S	Bend	trans	-100.9	11.8	172.5	68.2	0	0	0	0	114.4	K323 F329	K323-S327 PolarHBondContact O-N 3.18Å; K323-S327 VanDerWaalsContact O-N 3.12Å; K323-S327 PolarHBondContact O-OG 3.42Å; S327-F329 VanDerWaalsContact C-N 3.35Å
328	A	29.5	Very low	40.1	Very low	75 Å²	75	115 Å²	115	62%	0.62	63%	0.632	S	S	*	*	S	Bend	trans	-89.6	-0.3	170.1	0	0	0	0	0	113.1
329	F	28.4	Very low	38.9	Very low	181 Å²	181	115.5 Å²	115.5	79%	0.794	64%	0.642	S	S	*	*			trans	-139.2	88	174.7	-74.5	-85.1	0	0	0	109.2	S327	S327-F329 VanDerWaalsContact C-N 3.35Å
330	C	29.3	Very low	37.2	Very low	208 Å²	208	121.7 Å²	121.7	100%	1.405	68%	0.678	S	S	*	*			trans	-176.6	0	146.4	-103.4	0	0	0	0	109.1

Retrieved 330 of 330 residues in 262 ms (Link to these results)

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