A0A5K4FD27_SCHMA Loading...

Dual specificity protein phosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FD27, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 206 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.6	Low	82.8	Confident	241 Å²	241	124 Å²	124	100%	1.187	63%	0.63	S	S	*	*				0	113.9	0	-79	174.9	172.7	0	0	106.8	N3	M1-N3 PolarHBondContact O-N 3.44Å
2	N	67	Low	83.1	Confident	138 Å²	138	121 Å²	121	74%	0.738	62%	0.616	S	S	*	*			trans	-62.4	127.4	174.5	-73.8	-5.5	0	0	0	108.1
3	N	84.3	Confident	83.1	Confident	78 Å²	78	121.5 Å²	121.5	42%	0.417	62%	0.618	S	S	.	*			trans	-65.2	148	174.2	-169.8	-15.2	0	0	0	108.3	M1 R5 D6 A7	M1-N3 PolarHBondContact O-N 3.44Å; N3-R5 PolarHBondContact O-N 2.93Å; N3-R5 VanDerWaalsContact O-N 3.11Å; N3-D6 WeakPolarHBondContact CB-OD2 3.49Å; N3-D6 PolarHBondContact N-OD2 3.26Å; N3-D6 PolarHBondContact O-N 3.19Å; N3-A7 PolarHBondContact O-N 3.33Å
4	I	88.1	Confident	83	Confident	125 Å²	125	122 Å²	122	64%	0.641	62%	0.622	S	S	*	*	H	α-helix	trans	-56	-30.8	178	-164.5	158.7	0	0	0	111.7	A7 I8	I4-A7 PolarHBondContact O-N 3.24Å; I4-I8 HydrophobicContact CG1-CD1 4.18Å; I4-I8 VanDerWaalsContact O-CG1 3.25Å; I4-I8 WeakPolarHBondContact O-CG1 3.26Å; I4-I8 PolarHBondContact O-N 3.03Å
5	R	88	Confident	83.1	Confident	177 Å²	177	119.3 Å²	119.3	67%	0.668	62%	0.619	S	S	*	*	H	α-helix	trans	-61.8	-46.7	173	-68.5	-174.1	-178.9	131.4	0.7	112.2	N3 A7 I8 Q9	N3-R5 PolarHBondContact O-N 2.93Å; N3-R5 VanDerWaalsContact O-N 3.11Å; R5-A7 VanDerWaalsContact C-N 3.33Å; R5-I8 PolarHBondContact O-N 3.45Å; R5-Q9 WeakPolarHBondContact O-CG 3.26Å; R5-Q9 PolarHBondContact O-N 3.35Å
6	D	89.4	Confident	83.2	Confident	79 Å²	79	117.4 Å²	117.4	42%	0.422	61%	0.609	S	S	.	*	H	α-helix	trans	-67.5	-37.6	179.2	-51.4	-30.5	0	0	0	110.6	N3 Q9 S10	N3-D6 WeakPolarHBondContact CB-OD2 3.49Å; N3-D6 PolarHBondContact N-OD2 3.26Å; N3-D6 PolarHBondContact O-N 3.19Å; D6-Q9 PolarHBondContact O-N 2.96Å; D6-S10 VanDerWaalsContact O-CB 3.26Å; D6-S10 WeakPolarHBondContact O-CB 3.36Å; D6-S10 PolarHBondContact O-N 3.23Å; D6-S10 PolarHBondContact O-OG 3.45Å
7	A	87.7	Confident	83.2	Confident	46 Å²	46	121.6 Å²	121.6	38%	0.38	62%	0.622	S	S	.	*	H	α-helix	trans	-63.1	-41	175.1	0	0	0	0	0	112.2	N3 I4 R5 S10 F11	N3-A7 PolarHBondContact O-N 3.33Å; I4-A7 PolarHBondContact O-N 3.24Å; R5-A7 VanDerWaalsContact C-N 3.33Å; A7-S10 PolarHBondContact O-OG 2.9Å; A7-F11 WeakPolarHBondContact O-CB 3.47Å; A7-F11 PolarHBondContact O-N 3.3Å
8	I	87	Confident	83.1	Confident	120 Å²	120	121.3 Å²	121.3	62%	0.615	63%	0.629	S	S	*	*	H	α-helix	trans	-68.7	-43.2	176.2	-68.4	165.1	0	0	0	110.8	I4 R5 F11	I4-I8 HydrophobicContact CG1-CD1 4.18Å; I4-I8 VanDerWaalsContact O-CG1 3.25Å; I4-I8 WeakPolarHBondContact O-CG1 3.26Å; I4-I8 PolarHBondContact O-N 3.03Å; R5-I8 PolarHBondContact O-N 3.45Å; I8-F11 WeakPolarHBondContact O-CB 3.41Å; I8-F11 PolarHBondContact O-N 3.5Å
9	Q	87.5	Confident	83.2	Confident	161 Å²	161	120.1 Å²	120.1	75%	0.752	63%	0.627	S	S	*	*	H	α-helix	trans	-68.8	-35.7	-179.5	-74	178.6	-9.9	0	0	113	R5 D6 F11	R5-Q9 WeakPolarHBondContact O-CG 3.26Å; R5-Q9 PolarHBondContact O-N 3.35Å; D6-Q9 PolarHBondContact O-N 2.96Å; Q9-F11 VanDerWaalsContact C-N 3.28Å
10	S	88.8	Confident	83.5	Confident	89 Å²	89	118.6 Å²	118.6	62%	0.622	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-2.9	177.9	59.9	0	0	0	0	113.6	D6 A7 N12	D6-S10 VanDerWaalsContact O-CB 3.26Å; D6-S10 WeakPolarHBondContact O-CB 3.36Å; D6-S10 PolarHBondContact O-N 3.23Å; D6-S10 PolarHBondContact O-OG 3.45Å; A7-S10 PolarHBondContact O-OG 2.9Å; S10-N12 PolarHBondContact O-N 3.33Å
11	F	88.8	Confident	83.6	Confident	110 Å²	110	116.7 Å²	116.7	48%	0.482	61%	0.613	S	S	.	*			trans	-70	115.5	-175.5	-176.1	-105.3	0	0	0	112.2	A7 I8 Q9 M13 L16	A7-F11 WeakPolarHBondContact O-CB 3.47Å; A7-F11 PolarHBondContact O-N 3.3Å; I8-F11 WeakPolarHBondContact O-CB 3.41Å; I8-F11 PolarHBondContact O-N 3.5Å; Q9-F11 VanDerWaalsContact C-N 3.28Å; F11-M13 HydrophobicContact CE1-CG 4.2Å; F11-M13 PolarHBondContact O-N 3.19Å; F11-L16 HydrophobicContact CE1-CD1 3.97Å; F11-L16 HydrophobicContact CE1-CG 4.09Å; F11-L16 HydrophobicContact CE2-CD2 4.39Å; F11-L16 HydrophobicContact CZ-CD1 3.86Å; F11-L16 HydrophobicContact CZ-CD2 3.59Å; F11-L16 HydrophobicContact CZ-CG 3.54Å
12	N	86.5	Confident	85.2	Confident	88 Å²	88	109.3 Å²	109.3	47%	0.471	58%	0.576	S	S	.	*			trans	-83.9	106.2	172.7	-173.8	-9.8	0	0	0	110.4	S10 N14 S15	S10-N12 PolarHBondContact O-N 3.33Å; N12-N14 PolarHBondContact O-N 3.18Å; N12-N14 VanDerWaalsContact OD1-CB 3.28Å; N12-N14 WeakPolarHBondContact OD1-CB 3.37Å; N12-N14 PolarHBondContact OD1-N 3.47Å; N12-S15 PolarHBondContact O-N 3.27Å; N12-S15 PolarHBondContact O-OG 3.5Å
13	M	82.7	Confident	86.1	Confident	128 Å²	128	105.3 Å²	105.3	63%	0.631	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-54.6	-25.4	175.9	-118.8	175.2	48.3	0	0	114	F11 S15	F11-M13 HydrophobicContact CE1-CG 4.2Å; F11-M13 PolarHBondContact O-N 3.19Å; M13-S15 VanDerWaalsContact C-N 3.34Å
14	N	82.3	Confident	86.1	Confident	128 Å²	128	105.9 Å²	105.9	68%	0.684	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-80.1	-12.7	178	-60.4	-34.8	0	0	0	113.2	N12 L16	N12-N14 PolarHBondContact O-N 3.18Å; N12-N14 VanDerWaalsContact OD1-CB 3.28Å; N12-N14 WeakPolarHBondContact OD1-CB 3.37Å; N12-N14 PolarHBondContact OD1-N 3.47Å; N14-L16 VanDerWaalsContact C-N 3.27Å
15	S	84.8	Confident	86	Confident	81 Å²	81	103.5 Å²	103.5	57%	0.566	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-82.7	-4.4	173.5	74.1	0	0	0	0	113.1	N12 M13 K17	N12-S15 PolarHBondContact O-N 3.27Å; N12-S15 PolarHBondContact O-OG 3.5Å; M13-S15 VanDerWaalsContact C-N 3.34Å; S15-K17 PolarHBondContact O-N 2.99Å
16	L	83.3	Confident	85.8	Confident	89 Å²	89	101.6 Å²	101.6	47%	0.466	54%	0.541	S	S	.	.	S	Bend	trans	-67.2	128.5	173.6	-76.8	172.8	0	0	0	110.6	F11 N14 P18	F11-L16 HydrophobicContact CE1-CD1 3.97Å; F11-L16 HydrophobicContact CE1-CG 4.09Å; F11-L16 HydrophobicContact CE2-CD2 4.39Å; F11-L16 HydrophobicContact CZ-CD1 3.86Å; F11-L16 HydrophobicContact CZ-CD2 3.59Å; F11-L16 HydrophobicContact CZ-CG 3.54Å; N14-L16 VanDerWaalsContact C-N 3.27Å; L16-P18 WeakPolarHBondContact O-CD 3.25Å
17	K	83.9	Confident	85.6	Confident	189 Å²	189	102.6 Å²	102.6	82%	0.822	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-56.8	126.1	169.8	-71.9	-174.2	178.9	-178.4	0	109.1	S15 T19	S15-K17 PolarHBondContact O-N 2.99Å; K17-T19 PolarHBondContact O-N 3.11Å
18	P	81.8	Confident	85.2	Confident	117 Å²	117	100.5 Å²	100.5	76%	0.76	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-55.6	124.6	173.6	-22.3	31.8	0	0	0	109.6	L16	L16-P18 WeakPolarHBondContact O-CD 3.25Å
19	T	84.8	Confident	85.1	Confident	97 Å²	97	95 Å²	95	60%	0.595	50%	0.501	S	S	*	.			trans	-104.2	126.3	173.4	-57.2	0	0	0	0	108.2	K17	K17-T19 PolarHBondContact O-N 3.11Å
20	L	88.1	Confident	85.1	Confident	90 Å²	90	87.4 Å²	87.4	47%	0.471	47%	0.466	S	S	.	.			trans	-92	135	170.4	-60	-179.4	0	0	0	108.5	I33 N34 I40	L20-I33 WeakPolarHBondContact CA-O 3.34Å; L20-N34 HydrophobicContact CD2-CB 4.33Å; L20-I40 HydrophobicContact CD2-CD1 3.36Å; L20-I40 HydrophobicContact CD2-CG1 4.45Å
21	V	87.2	Confident	85.1	Confident	79 Å²	79	83.5 Å²	83.5	48%	0.479	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.7	175	-178	0	0	0	0	107.4	V23 K32 I33	V21-V23 HydrophobicContact CG1-CG2 4.06Å; V21-K32 WeakPolarHBondContact O-CA 3.49Å; V21-I33 PolarHBondContact N-O 2.93Å; V21-I33 PolarHBondContact O-N 3.36Å
22	E	87.5	Confident	85.1	Confident	86 Å²	86	80.8 Å²	80.8	40%	0.402	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	109.8	170.2	-174.2	179.8	141.6	0	0	108.7	R24 T30 K32 R48	E22-R24 IonicContact OE1-NH1 3.12Å; E22-R24 PolarHBondContact OE1-NH1 3.1Å; E22-R24 VanDerWaalsContact OE1-NH1 3.12Å; E22-T30 HydrophobicContact CG-CG2 4.25Å; E22-T30 WeakPolarHBondContact OE1-CG2 3.37Å; E22-K32 HydrophobicContact CB-CG 4.4Å; E22-K32 HydrophobicContact CG-CG 4.43Å; E22-R48 IonicContact OE1-CZ 3.69Å; E22-R48 IonicContact OE1-NH1 3.7Å; E22-R48 IonicContact OE1-NH2 2.76Å; E22-R48 PolarHBondContact OE1-NH2 3.05Å
23	V	85.8	Confident	85.3	Confident	54 Å²	54	78.5 Å²	78.5	33%	0.327	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.9	173.8	-178.3	0	0	0	0	108.1	V21 T30 T31 I33	V21-V23 HydrophobicContact CG1-CG2 4.06Å; V23-T30 CarbonylContact O-C 3.54Å; V23-T30 VanDerWaalsContact O-CA 3.25Å; V23-T30 WeakPolarHBondContact O-CA 3.31Å; V23-T31 PolarHBondContact N-O 3.12Å; V23-T31 PolarHBondContact O-N 3.41Å; V23-I33 HydrophobicContact CB-CD1 4.42Å; V23-I33 HydrophobicContact CG2-CD1 3.7Å; V23-I33 HydrophobicContact CG2-CG1 4.36Å
24	R	84.4	Confident	85.6	Confident	90 Å²	90	74.1 Å²	74.1	34%	0.34	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126	173.6	179.3	147.7	35.3	-109.1	-9.4	110.1	E22 S29 T30 S54 H56	E22-R24 IonicContact OE1-NH1 3.12Å; E22-R24 PolarHBondContact OE1-NH1 3.1Å; E22-R24 VanDerWaalsContact OE1-NH1 3.12Å; R24-S29 WeakPolarHBondContact CA-O 3.37Å; R24-T30 HydrophobicContact CB-CG2 3.89Å; R24-T30 HydrophobicContact CG-CG2 4.01Å; R24-S54 PolarHBondContact NE-O 3.39Å; R24-S54 PolarHBondContact NH1-O 2.89Å; R24-S54 VanDerWaalsContact NH1-O 3.11Å; R24-S54 PolarHBondContact NH2-O 2.97Å; R24-H56 WeakPolarHBondContact CD-O 3.22Å
25	H	86.2	Confident	85.6	Confident	75 Å²	75	73.2 Å²	73.2	35%	0.347	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-83.2	168.7	-179	-61.2	-74.5	0	0	0	111	D27 G28 S29 T31 G57	H25-D27 WeakPolarHBondContact CB-OD1 3.41Å; H25-D27 PolarHBondContact O-N 3.15Å; H25-G28 PolarHBondContact O-N 2.93Å; H25-S29 PolarHBondContact CD2-OG 3.29Å; H25-S29 PolarHBondContact N-O 3.46Å; H25-T31 PolarHBondContact NE2-OG1 3.4Å; H25-G57 WeakPolarHBondContact O-CA 3.2Å
26	L	84.4	Confident	85.6	Confident	138 Å²	138	77.1 Å²	77.1	72%	0.723	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.8	-178.1	-64.5	175	0	0	0	112.8	G28 G57 F58	L26-G28 VanDerWaalsContact C-N 3.31Å; L26-G57 WeakPolarHBondContact O-CA 3.49Å; L26-F58 HydrophobicContact CB-CB 4.31Å; L26-F58 HydrophobicContact CD2-CB 3.46Å; L26-F58 VanDerWaalsContact CD2-CB 3.46Å; L26-F58 HydrophobicContact CD2-CD2 4.47Å; L26-F58 HydrophobicContact CD2-CG 3.98Å; L26-F58 HydrophobicContact CG-CB 4.5Å; L26-F58 PolarHBondContact O-N 3.26Å
27	D	83.4	Confident	85.6	Confident	100 Å²	100	75.5 Å²	75.5	54%	0.535	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.9	178.7	66	-4.6	0	0	0	113.9	H25 S29 K45	H25-D27 WeakPolarHBondContact CB-OD1 3.41Å; H25-D27 PolarHBondContact O-N 3.15Å; D27-S29 VanDerWaalsContact OD1-CB 3.3Å; D27-S29 WeakPolarHBondContact OD1-CB 3.46Å; D27-S29 PolarHBondContact OD1-N 3.4Å; D27-S29 PolarHBondContact OD1-OG 3.44Å; D27-S29 PolarHBondContact OD2-OG 2.65Å; D27-K45 WeakPolarHBondContact O-CD 3.44Å
28	G	81.3	Confident	85.6	Confident	2 Å²	2	71.9 Å²	71.9	2%	0.021	38%	0.38	C	S	.	.	S	Bend	trans	96.8	-5.5	-176.5	0	0	0	0	0	114.8	H25 L26 G57	H25-G28 PolarHBondContact O-N 2.93Å; L26-G28 VanDerWaalsContact C-N 3.31Å; G28-G57 VanDerWaalsContact CA-N 3.28Å
29	S	84.5	Confident	85.9	Confident	4 Å²	4	71.4 Å²	71.4	3%	0.028	37%	0.368	C	S	.	.			trans	-63.4	155.5	169.3	67	0	0	0	0	110.6	R24 H25 D27 I43	R24-S29 WeakPolarHBondContact CA-O 3.37Å; H25-S29 PolarHBondContact CD2-OG 3.29Å; H25-S29 PolarHBondContact N-O 3.46Å; D27-S29 VanDerWaalsContact OD1-CB 3.3Å; D27-S29 WeakPolarHBondContact OD1-CB 3.46Å; D27-S29 PolarHBondContact OD1-N 3.4Å; D27-S29 PolarHBondContact OD1-OG 3.44Å; D27-S29 PolarHBondContact OD2-OG 2.65Å; S29-I43 WeakPolarHBondContact CA-O 3.29Å
30	T	86.3	Confident	86	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.5	-179.7	62	0	0	0	0	112.2	E22 V23 R24 I43 R48	E22-T30 HydrophobicContact CG-CG2 4.25Å; E22-T30 WeakPolarHBondContact OE1-CG2 3.37Å; V23-T30 CarbonylContact O-C 3.54Å; V23-T30 VanDerWaalsContact O-CA 3.25Å; V23-T30 WeakPolarHBondContact O-CA 3.31Å; R24-T30 HydrophobicContact CB-CG2 3.89Å; R24-T30 HydrophobicContact CG-CG2 4.01Å; T30-I43 PolarHBondContact N-O 3.38Å; T30-I43 PolarHBondContact O-N 2.84Å; T30-R48 PolarHBondContact OG1-NH2 3.42Å
31	T	89	Confident	85.9	Confident	7 Å²	7	71.3 Å²	71.3	4%	0.043	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.7	173.5	-69.2	0	0	0	0	108.9	V23 H25 I33 E39 E41	V23-T31 PolarHBondContact N-O 3.12Å; V23-T31 PolarHBondContact O-N 3.41Å; H25-T31 PolarHBondContact NE2-OG1 3.4Å; T31-I33 HydrophobicContact CG2-CD1 4.21Å; T31-I33 HydrophobicContact CG2-CG1 3.66Å; T31-E39 HydrophobicContact CG2-CB 3.97Å; T31-E39 HydrophobicContact CG2-CG 3.52Å; T31-E39 WeakPolarHBondContact CG2-OE1 3.14Å; T31-E39 PolarHBondContact OG1-OE1 3.26Å; T31-E41 CarbonylContact C-O 3.53Å; T31-E41 WeakPolarHBondContact CA-O 3.25Å
32	K	89.3	Confident	85.7	Confident	53 Å²	53	73.7 Å²	73.7	23%	0.23	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.6	170.4	-67.1	-175.9	-168	153.4	0	109.7	V21 E22 I40 E41	V21-K32 WeakPolarHBondContact O-CA 3.49Å; E22-K32 HydrophobicContact CB-CG 4.4Å; E22-K32 HydrophobicContact CG-CG 4.43Å; K32-I40 PolarHBondContact O-N 3.17Å; K32-E41 HydrophobicContact CB-CB 4.26Å; K32-E41 HydrophobicContact CD-CB 4.47Å; K32-E41 WeakPolarHBondContact CD-OE2 3.3Å; K32-E41 WeakPolarHBondContact CE-OE2 3.34Å; K32-E41 PolarHBondContact N-O 2.94Å; K32-E41 IonicContact NZ-OE2 2.73Å; K32-E41 PolarHBondContact NZ-OE2 2.9Å
33	I	91.5	Very high	85.3	Confident	41 Å²	41	71 Å²	71	21%	0.21	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.8	-176.1	-47.3	178.9	0	0	0	109.2	L20 V21 V23 T31 G37 L38	L20-I33 WeakPolarHBondContact CA-O 3.34Å; V21-I33 PolarHBondContact N-O 2.93Å; V21-I33 PolarHBondContact O-N 3.36Å; V23-I33 HydrophobicContact CB-CD1 4.42Å; V23-I33 HydrophobicContact CG2-CD1 3.7Å; V23-I33 HydrophobicContact CG2-CG1 4.36Å; T31-I33 HydrophobicContact CG2-CD1 4.21Å; T31-I33 HydrophobicContact CG2-CG1 3.66Å; I33-G37 WeakPolarHBondContact CG2-O 3.41Å; I33-L38 WeakPolarHBondContact CA-O 3.12Å
34	N	87.6	Confident	84.7	Confident	36 Å²	36	72.7 Å²	72.7	19%	0.193	36%	0.359	C	S	.	.			trans	-81.9	175.7	170.3	73.6	13.9	0	0	0	112.3	L20 Y36 G37 L38 I40	L20-N34 HydrophobicContact CD2-CB 4.33Å; N34-Y36 PolarHBondContact O-N 3.45Å; N34-Y36 WeakPolarHBondContact OD1-CA 3.22Å; N34-Y36 WeakPolarHBondContact OD1-CB 3.37Å; N34-Y36 PolarHBondContact OD1-N 3.46Å; N34-G37 PolarHBondContact O-N 2.85Å; N34-G37 PolarHBondContact OD1-N 3.45Å; N34-L38 PolarHBondContact N-O 3.44Å; N34-L38 PolarHBondContact OD1-N 3.23Å; N34-I40 HydrophobicContact CB-CD1 4.06Å; N34-I40 HydrophobicContact CB-CG1 4.36Å
35	K	83.2	Confident	83.9	Confident	109 Å²	109	73.7 Å²	73.7	47%	0.474	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.1	177.7	71.1	180	-174	179	0	115.2
36	Y	84.4	Confident	82.8	Confident	162 Å²	162	79.7 Å²	79.7	64%	0.635	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	3.6	179.1	-54.1	-66.2	0	0	0	113	N34 L38	N34-Y36 PolarHBondContact O-N 3.45Å; N34-Y36 WeakPolarHBondContact OD1-CA 3.22Å; N34-Y36 WeakPolarHBondContact OD1-CB 3.37Å; N34-Y36 PolarHBondContact OD1-N 3.46Å; Y36-L38 VanDerWaalsContact C-N 3.32Å
37	G	82.1	Confident	81.7	Confident	56 Å²	56	77.6 Å²	77.6	58%	0.577	39%	0.385	S	S	*	.	S	Bend	trans	83.7	2.9	-178.5	0	0	0	0	0	114.6	I33 N34	I33-G37 WeakPolarHBondContact CG2-O 3.41Å; N34-G37 PolarHBondContact O-N 2.85Å; N34-G37 PolarHBondContact OD1-N 3.45Å
38	L	85.8	Confident	80.7	Confident	112 Å²	112	76.2 Å²	76.2	59%	0.586	37%	0.372	S	S	*	.			trans	-79.6	126.3	177.2	-71.5	147.1	0	0	0	110.2	I33 N34 Y36 I40	I33-L38 WeakPolarHBondContact CA-O 3.12Å; N34-L38 PolarHBondContact N-O 3.44Å; N34-L38 PolarHBondContact OD1-N 3.23Å; Y36-L38 VanDerWaalsContact C-N 3.32Å; L38-I40 PolarHBondContact O-N 3.03Å
39	E	87.7	Confident	79.7	Confident	107 Å²	107	82.3 Å²	82.3	50%	0.5	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	120.6	171.1	172.3	158.1	-150.1	0	0	109.9	T31 K42	T31-E39 HydrophobicContact CG2-CB 3.97Å; T31-E39 HydrophobicContact CG2-CG 3.52Å; T31-E39 WeakPolarHBondContact CG2-OE1 3.14Å; T31-E39 PolarHBondContact OG1-OE1 3.26Å; E39-K42 VanDerWaalsContact OE1-CB 3.26Å; E39-K42 WeakPolarHBondContact OE1-CB 3.45Å
40	I	86.9	Confident	78.4	Confident	102 Å²	102	89.3 Å²	89.3	52%	0.523	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-36.8	176.3	-56	-167	0	0	0	110.5	L20 K32 N34 L38	L20-I40 HydrophobicContact CD2-CD1 3.36Å; L20-I40 HydrophobicContact CD2-CG1 4.45Å; K32-I40 PolarHBondContact O-N 3.17Å; N34-I40 HydrophobicContact CB-CD1 4.06Å; N34-I40 HydrophobicContact CB-CG1 4.36Å; L38-I40 PolarHBondContact O-N 3.03Å
41	E	85.9	Confident	77.1	Confident	84 Å²	84	94.8 Å²	94.8	39%	0.393	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	137.1	-171.3	-169.7	-175.3	177.5	0	0	110.2	T31 K32 I43	T31-E41 CarbonylContact C-O 3.53Å; T31-E41 WeakPolarHBondContact CA-O 3.25Å; K32-E41 HydrophobicContact CB-CB 4.26Å; K32-E41 HydrophobicContact CD-CB 4.47Å; K32-E41 WeakPolarHBondContact CD-OE2 3.3Å; K32-E41 WeakPolarHBondContact CE-OE2 3.34Å; K32-E41 PolarHBondContact N-O 2.94Å; K32-E41 IonicContact NZ-OE2 2.73Å; K32-E41 PolarHBondContact NZ-OE2 2.9Å; E41-I43 HydrophobicContact CG-CG1 4.07Å
42	K	82.1	Confident	75.8	Confident	129 Å²	129	97.2 Å²	97.2	56%	0.561	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.8	170	-162.4	173.4	176.6	-179.7	0	109.2	E39	E39-K42 VanDerWaalsContact OE1-CB 3.26Å; E39-K42 WeakPolarHBondContact OE1-CB 3.45Å
43	I	78.7	Confident	74.6	Confident	28 Å²	28	103.9 Å²	103.9	14%	0.144	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.4	179.6	-54	172.8	0	0	0	107.5	S29 T30 E41 T47 R48	S29-I43 WeakPolarHBondContact CA-O 3.29Å; T30-I43 PolarHBondContact N-O 3.38Å; T30-I43 PolarHBondContact O-N 2.84Å; E41-I43 HydrophobicContact CG-CG1 4.07Å; I43-T47 VanDerWaalsContact CG2-OG1 3.26Å; I43-T47 WeakPolarHBondContact CG2-OG1 3.49Å; I43-R48 HydrophobicContact CG2-CG 4.34Å
44	D	74.5	Confident	73.3	Confident	90 Å²	90	104.8 Å²	104.8	48%	0.481	54%	0.536	S	S	.	.			trans	-75.2	147.2	174.9	-67	-32.9	0	0	0	110.7	F46 T47	D44-F46 PolarHBondContact O-N 3.11Å; D44-T47 PolarHBondContact O-N 3Å; D44-T47 PolarHBondContact O-OG1 3.36Å
45	K	67.2	Low	72.3	Confident	112 Å²	112	104 Å²	104	49%	0.487	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-47.6	-36.4	-176	-170.6	-176.2	-172.6	171.4	0	113.7	D27 T47	D27-K45 WeakPolarHBondContact O-CD 3.44Å; K45-T47 VanDerWaalsContact C-N 3.28Å; K45-T47 PolarHBondContact O-N 2.7Å
46	F	62.9	Low	71.8	Confident	200 Å²	200	102.8 Å²	102.8	88%	0.877	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-71.2	-14.9	-175	-64.8	-77.1	0	0	0	115	D44	D44-F46 PolarHBondContact O-N 3.11Å
47	T	62.2	Low	71.4	Confident	94 Å²	94	96 Å²	96	58%	0.577	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-94	-1.4	-171.8	51.6	0	0	0	0	114.7	I43 D44 K45 P49	I43-T47 VanDerWaalsContact CG2-OG1 3.26Å; I43-T47 WeakPolarHBondContact CG2-OG1 3.49Å; D44-T47 PolarHBondContact O-N 3Å; D44-T47 PolarHBondContact O-OG1 3.36Å; K45-T47 VanDerWaalsContact C-N 3.28Å; K45-T47 PolarHBondContact O-N 2.7Å; T47-P49 WeakPolarHBondContact O-CD 3.37Å
48	R	60.9	Low	71.3	Confident	72 Å²	72	100.1 Å²	100.1	27%	0.272	51%	0.51	S	S	.	.			trans	-87.3	118.7	-179.1	-69.4	-174.7	-179.9	-144.2	-2.3	111.2	E22 T30 I43 E50	E22-R48 IonicContact OE1-CZ 3.69Å; E22-R48 IonicContact OE1-NH1 3.7Å; E22-R48 IonicContact OE1-NH2 2.76Å; E22-R48 PolarHBondContact OE1-NH2 3.05Å; T30-R48 PolarHBondContact OG1-NH2 3.42Å; I43-R48 HydrophobicContact CG2-CG 4.34Å; R48-E50 VanDerWaalsContact C-N 3.28Å; R48-E50 PolarHBondContact O-N 3.16Å
49	P	60.2	Low	71	Confident	129 Å²	129	100.2 Å²	100.2	84%	0.838	51%	0.511	S	S	*	.	S	Bend	trans	-76.3	-3.8	-173.8	28.1	-34	0	0	0	115.3	T47	T47-P49 WeakPolarHBondContact O-CD 3.37Å
50	E	58.2	Low	70.4	Confident	152 Å²	152	97.8 Å²	97.8	71%	0.71	50%	0.504	S	S	*	.	S	Bend	trans	-135.3	128.5	-177.3	-78.3	-78.2	157.5	0	0	111.1	R48 S52	R48-E50 VanDerWaalsContact C-N 3.28Å; R48-E50 PolarHBondContact O-N 3.16Å; E50-S52 VanDerWaalsContact C-N 3.29Å; E50-S52 PolarHBondContact O-N 3.03Å
51	P	57.9	Low	69.9	Low	116 Å²	116	98.9 Å²	98.9	75%	0.753	51%	0.511	S	S	*	.			trans	-74.8	80	176.2	30.9	-32.5	0	0	0	110.6
52	S	63.5	Low	69.8	Low	57 Å²	57	103.1 Å²	103.1	40%	0.399	53%	0.528	S	S	.	.			trans	-73.4	137.7	161.9	168.6	0	0	0	0	109.1	E50 S54 S55	E50-S52 VanDerWaalsContact C-N 3.29Å; E50-S52 PolarHBondContact O-N 3.03Å; S52-S54 PolarHBondContact O-N 3.26Å; S52-S54 WeakPolarHBondContact OG-CB 3.47Å; S52-S54 PolarHBondContact OG-N 3.34Å; S52-S54 VanDerWaalsContact OG-N 3.08Å; S52-S54 PolarHBondContact OG-OG 3.3Å; S52-S55 VanDerWaalsContact O-CB 3.28Å; S52-S55 WeakPolarHBondContact O-CB 3.43Å; S52-S55 PolarHBondContact O-N 2.87Å; S52-S55 PolarHBondContact O-OG 3.05Å
53	F	63.3	Low	70.1	Confident	193 Å²	193	103 Å²	103	85%	0.846	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-50.7	-30.6	169.3	-87.2	-84.4	0	0	0	111.8	S55 H56	F53-S55 PolarHBondContact O-N 3.38Å; F53-H56 PolarHBondContact O-ND1 2.94Å
54	S	65	Low	70.7	Confident	61 Å²	61	107.2 Å²	107.2	43%	0.427	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-70.1	-2.8	175.9	85.3	0	0	0	0	114.7	R24 S52	R24-S54 PolarHBondContact NE-O 3.39Å; R24-S54 PolarHBondContact NH1-O 2.89Å; R24-S54 VanDerWaalsContact NH1-O 3.11Å; R24-S54 PolarHBondContact NH2-O 2.97Å; S52-S54 PolarHBondContact O-N 3.26Å; S52-S54 WeakPolarHBondContact OG-CB 3.47Å; S52-S54 PolarHBondContact OG-N 3.34Å; S52-S54 VanDerWaalsContact OG-N 3.08Å; S52-S54 PolarHBondContact OG-OG 3.3Å
55	S	66.4	Low	71.7	Confident	19 Å²	19	105.3 Å²	105.3	13%	0.133	55%	0.546	C	S	.	.	G	3₁₀ helix	trans	-85	-15.2	179.5	63.7	0	0	0	0	113.6	S52 F53	S52-S55 VanDerWaalsContact O-CB 3.28Å; S52-S55 WeakPolarHBondContact O-CB 3.43Å; S52-S55 PolarHBondContact O-N 2.87Å; S52-S55 PolarHBondContact O-OG 3.05Å; F53-S55 PolarHBondContact O-N 3.38Å
56	H	71.3	Confident	73.1	Confident	84 Å²	84	103.1 Å²	103.1	39%	0.389	54%	0.539	S	S	.	.			trans	-75.8	140.7	177.7	-60.9	85.1	0	0	0	109.9	R24 F53 I59	R24-H56 WeakPolarHBondContact CD-O 3.22Å; F53-H56 PolarHBondContact O-ND1 2.94Å; H56-I59 HydrophobicContact CB-CD1 3.61Å; H56-I59 HydrophobicContact CB-CG1 3.71Å
57	G	76.9	Confident	74.7	Confident	20 Å²	20	98.5 Å²	98.5	21%	0.206	52%	0.52	C	S	.	.			trans	-70.9	-144.1	168.5	0	0	0	0	0	111	H25 L26 G28 I59	H25-G57 WeakPolarHBondContact O-CA 3.2Å; L26-G57 WeakPolarHBondContact O-CA 3.49Å; G28-G57 VanDerWaalsContact CA-N 3.28Å; G57-I59 PolarHBondContact O-N 3.43Å; G57-I59 VanDerWaalsContact O-N 3.15Å
58	F	79.8	Confident	76.4	Confident	141 Å²	141	95.7 Å²	95.7	62%	0.618	50%	0.501	S	S	*	.			trans	-67.7	115.9	171.4	-178.6	-99.6	0	0	0	109.3	L26 P60	L26-F58 HydrophobicContact CB-CB 4.31Å; L26-F58 HydrophobicContact CD2-CB 3.46Å; L26-F58 VanDerWaalsContact CD2-CB 3.46Å; L26-F58 HydrophobicContact CD2-CD2 4.47Å; L26-F58 HydrophobicContact CD2-CG 3.98Å; L26-F58 HydrophobicContact CG-CB 4.5Å; L26-F58 PolarHBondContact O-N 3.26Å; F58-P60 HydrophobicContact CE1-CB 4.12Å; F58-P60 VanDerWaalsContact O-CD 3.27Å; F58-P60 WeakPolarHBondContact O-CD 3.41Å
59	I	79.9	Confident	78.2	Confident	115 Å²	115	92.2 Å²	92.2	59%	0.59	49%	0.488	S	S	*	.			trans	-91.5	106.5	173.5	-56	177.5	0	0	0	106.9	H56 G57 N61	H56-I59 HydrophobicContact CB-CD1 3.61Å; H56-I59 HydrophobicContact CB-CG1 3.71Å; G57-I59 PolarHBondContact O-N 3.43Å; G57-I59 VanDerWaalsContact O-N 3.15Å; I59-N61 PolarHBondContact O-N 2.92Å
60	P	73.8	Confident	80.1	Confident	56 Å²	56	91.1 Å²	91.1	36%	0.364	47%	0.47	S	S	.	.			trans	-63.8	132.7	175.7	27	-33.6	0	0	0	109.7	F58 F62	F58-P60 HydrophobicContact CE1-CB 4.12Å; F58-P60 VanDerWaalsContact O-CD 3.27Å; F58-P60 WeakPolarHBondContact O-CD 3.41Å; P60-F62 HydrophobicContact CB-CE1 4.2Å; P60-F62 HydrophobicContact CB-CE2 4.23Å; P60-F62 HydrophobicContact CB-CZ 3.92Å; P60-F62 HydrophobicContact CG-CE1 4.21Å; P60-F62 HydrophobicContact CG-CE2 3.63Å; P60-F62 HydrophobicContact CG-CZ 3.44Å; P60-F62 VanDerWaalsContact CG-CZ 3.44Å
61	N	77.9	Confident	82	Confident	124 Å²	124	84 Å²	84	66%	0.663	44%	0.437	S	S	*	.			trans	-85.3	112.6	168.4	-178.4	17.6	0	0	0	108.5	I59 N63	I59-N61 PolarHBondContact O-N 2.92Å; N61-N63 VanDerWaalsContact C-N 3.35Å; N61-N63 VanDerWaalsContact OD1-CB 3.29Å; N61-N63 WeakPolarHBondContact OD1-CB 3.24Å; N61-N63 PolarHBondContact OD1-N 2.98Å; N61-N63 PolarHBondContact OD1-ND2 3.2Å
62	F	83.3	Confident	83.8	Confident	173 Å²	173	83.8 Å²	83.8	76%	0.759	43%	0.43	S	S	*	.			trans	-88.1	-4	176.9	-61.2	-71.6	0	0	0	113.2	P60 L64	P60-F62 HydrophobicContact CB-CE1 4.2Å; P60-F62 HydrophobicContact CB-CE2 4.23Å; P60-F62 HydrophobicContact CB-CZ 3.92Å; P60-F62 HydrophobicContact CG-CE1 4.21Å; P60-F62 HydrophobicContact CG-CE2 3.63Å; P60-F62 HydrophobicContact CG-CZ 3.44Å; P60-F62 VanDerWaalsContact CG-CZ 3.44Å; F62-L64 PolarHBondContact O-N 2.94Å
63	N	88.2	Confident	85.4	Confident	128 Å²	128	81.9 Å²	81.9	68%	0.684	42%	0.415	S	S	*	.	S	Bend	trans	-73.7	118.6	176.2	-63.1	-34	0	0	0	109.3	N61	N61-N63 VanDerWaalsContact C-N 3.35Å; N61-N63 VanDerWaalsContact OD1-CB 3.29Å; N61-N63 WeakPolarHBondContact OD1-CB 3.24Å; N61-N63 PolarHBondContact OD1-N 2.98Å; N61-N63 PolarHBondContact OD1-ND2 3.2Å
64	L	91.9	Very high	86.8	Confident	115 Å²	115	78.3 Å²	78.3	60%	0.602	41%	0.411	S	S	*	.			trans	-62.8	135.7	174.8	-61.5	175.3	0	0	0	110.4	F62 L66 D84	F62-L64 PolarHBondContact O-N 2.94Å; L64-L66 HydrophobicContact CB-CD1 4.38Å; L64-L66 HydrophobicContact CB-CD2 4.28Å; L64-L66 HydrophobicContact CB-CG 3.92Å; L64-L66 PolarHBondContact O-N 3.36Å; L64-D84 HydrophobicContact CB-CB 4.28Å; L64-D84 HydrophobicContact CD2-CB 4.25Å
65	D	95.3	Very high	88.2	Confident	51 Å²	51	78.7 Å²	78.7	27%	0.273	41%	0.406	S	S	.	.			trans	-89.5	78.9	175.1	-179.4	3.3	0	0	0	110.3	Q67 S82 D84 R190	D65-Q67 VanDerWaalsContact C-N 3.32Å; D65-S82 PolarHBondContact O-OG 3.43Å; D65-D84 PolarHBondContact N-OD2 3.2Å; D65-R190 IonicContact OD1-CZ 3.55Å; D65-R190 IonicContact OD1-NH1 2.77Å; D65-R190 PolarHBondContact OD1-NH1 3.19Å; D65-R190 IonicContact OD1-NH2 3.37Å; D65-R190 PolarHBondContact OD1-NH2 3.03Å; D65-R190 IonicContact OD2-CZ 3.57Å; D65-R190 IonicContact OD2-NH1 3.57Å; D65-R190 IonicContact OD2-NH2 2.64Å; D65-R190 PolarHBondContact OD2-NH2 3Å
66	L	97	Very high	89.7	Confident	66 Å²	66	78.1 Å²	78.1	35%	0.346	40%	0.401	S	S	.	.			trans	-88.6	10.1	-178.7	-60.9	179.5	0	0	0	114.1	L64 D84 V85 D88 L91	L64-L66 HydrophobicContact CB-CD1 4.38Å; L64-L66 HydrophobicContact CB-CD2 4.28Å; L64-L66 HydrophobicContact CB-CG 3.92Å; L64-L66 PolarHBondContact O-N 3.36Å; L66-D84 HydrophobicContact CD2-CB 4.05Å; L66-V85 HydrophobicContact CD2-CG2 4.42Å; L66-D88 HydrophobicContact CD2-CB 4.5Å; L66-L91 HydrophobicContact CB-CD2 4.21Å; L66-L91 HydrophobicContact CD2-CD2 4.29Å
67	Q	96.5	Very high	91	Very high	102 Å²	102	75.7 Å²	75.7	48%	0.477	39%	0.392	S	S	.	.			trans	-72.1	133.3	178.4	171.1	-177.7	56.5	0	0	110.5	D65 R190	D65-Q67 VanDerWaalsContact C-N 3.32Å; Q67-R190 VanDerWaalsContact CB-NH1 3.33Å; Q67-R190 HydrophobicContact CG-CG 4.4Å; Q67-R190 PolarHBondContact O-NH1 2.86Å
68	I	98.2	Very high	92	Very high	35 Å²	35	74.7 Å²	74.7	18%	0.179	38%	0.382	C	S	.	.			trans	-109.9	125.5	177.1	-64.6	174.5	0	0	0	109.5	L79 V85 L91 N95	I68-L79 HydrophobicContact CG2-CB 3.86Å; I68-L79 HydrophobicContact CG2-CD1 4.3Å; I68-L79 HydrophobicContact CG2-CD2 3.93Å; I68-L79 HydrophobicContact CG2-CG 4.24Å; I68-V85 HydrophobicContact CD1-CG1 3.79Å; I68-V85 HydrophobicContact CG1-CG1 3.84Å; I68-V85 HydrophobicContact CG1-CG2 3.98Å; I68-L91 HydrophobicContact CD1-CD1 4.17Å; I68-L91 HydrophobicContact CD1-CD2 3.97Å; I68-L91 HydrophobicContact CD1-CG 3.86Å; I68-N95 WeakPolarHBondContact CD1-ND2 3.47Å
69	G	98.5	Very high	92.9	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	134.5	163.3	0	0	0	0	0	109.9	L79 F80	G69-L79 CarbonylContact O-C 3.49Å; G69-L79 VanDerWaalsContact O-CA 3.26Å; G69-L79 WeakPolarHBondContact O-CA 3.43Å; G69-F80 PolarHBondContact N-O 3.49Å; G69-F80 WeakPolarHBondContact O-CD1 3.26Å; G69-F80 PolarHBondContact O-N 3.24Å
70	K	98.4	Very high	93.8	Very high	105 Å²	105	62.6 Å²	62.6	46%	0.457	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.6	-174.9	177.6	164.8	-179.9	171.2	0	111.7	N72 T77 L79 S189	K70-N72 WeakPolarHBondContact CE-OD1 3.38Å; K70-T77 HydrophobicContact CD-CG2 4.45Å; K70-T77 HydrophobicContact CG-CG2 4.09Å; K70-L79 HydrophobicContact CB-CD2 3.63Å; K70-L79 HydrophobicContact CD-CD2 3.85Å; K70-L79 HydrophobicContact CG-CD2 3.53Å; K70-S189 WeakPolarHBondContact O-CB 3.35Å
71	I	98.3	Very high	95	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	109.5	175.8	-47.4	-59.6	0	0	0	108.1	L73 I78 F80 I167 L185 V186	I71-L73 HydrophobicContact CG2-CD2 4.24Å; I71-L73 HydrophobicContact CG2-CG 4.33Å; I71-I78 HydrophobicContact CB-CB 4.34Å; I71-I78 PolarHBondContact N-O 3.22Å; I71-I78 PolarHBondContact O-N 2.96Å; I71-F80 HydrophobicContact CD1-CE1 4.45Å; I71-F80 HydrophobicContact CG1-CE1 4.44Å; I71-I167 HydrophobicContact CG1-CG2 4.1Å; I71-L185 HydrophobicContact CD1-CG 4.26Å; I71-L185 HydrophobicContact CG2-CD2 4.11Å; I71-V186 HydrophobicContact CD1-CB 4.46Å; I71-V186 HydrophobicContact CD1-CG2 4.07Å; I71-V186 HydrophobicContact CG1-CG2 4.48Å
72	N	96.3	Very high	96	Very high	112 Å²	112	54.1 Å²	54.1	60%	0.599	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.9	175.4	-60.3	-50.2	0	0	0	109	K70	K70-N72 WeakPolarHBondContact CE-OD1 3.38Å
73	L	96.4	Very high	96.7	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.089	24%	0.242	C	C	.	.			trans	-103.2	160.5	171	-60.9	171.9	0	0	0	108.8	I71 E75 F76 I78 Y170 L171 Y175	I71-L73 HydrophobicContact CG2-CD2 4.24Å; I71-L73 HydrophobicContact CG2-CG 4.33Å; L73-E75 PolarHBondContact O-N 2.9Å; L73-E75 VanDerWaalsContact O-N 3.17Å; L73-F76 CarbonylContact C-O 3.59Å; L73-F76 WeakPolarHBondContact CA-O 3.38Å; L73-F76 HydrophobicContact CB-CD1 4.19Å; L73-F76 HydrophobicContact CB-CE1 4.32Å; L73-F76 WeakPolarHBondContact CB-O 3.31Å; L73-F76 HydrophobicContact CD1-CD1 4.12Å; L73-F76 HydrophobicContact CD1-CE1 3.44Å; L73-F76 VanDerWaalsContact CD1-CE1 3.44Å; L73-F76 HydrophobicContact CD1-CZ 3.86Å; L73-F76 HydrophobicContact CG-CE1 4.49Å; L73-F76 PolarHBondContact N-O 3.49Å; L73-F76 VanDerWaalsContact O-O 3.1Å; L73-I78 HydrophobicContact CD1-CD1 3.74Å; L73-I78 HydrophobicContact CD1-CG1 4.19Å; L73-Y170 HydrophobicContact CD1-CE1 4.02Å; L73-L171 HydrophobicContact CD2-CD2 3.8Å; L73-Y175 HydrophobicContact CD1-CE2 3.77Å; L73-Y175 HydrophobicContact CD2-CE1 4.22Å; L73-Y175 HydrophobicContact CD2-CE2 4.22Å
74	P	93.5	Very high	97.1	Very high	118 Å²	118	41.8 Å²	41.8	77%	0.766	22%	0.219	S	C	*	.	S	Bend	trans	-55.5	-35.2	-176.4	-26.2	34.6	0	0	0	113.9
75	E	94.9	Very high	97.4	Very high	68 Å²	68	36.3 Å²	36.3	32%	0.318	19%	0.191	S	C	.	.	S	Bend	trans	-100.2	-26.2	-172.6	-54.3	92.7	148	0	0	113.7	L73 K146 N149 Y175	L73-E75 PolarHBondContact O-N 2.9Å; L73-E75 VanDerWaalsContact O-N 3.17Å; E75-K146 HydrophobicContact CB-CD 4.44Å; E75-K146 HydrophobicContact CB-CG 3.89Å; E75-K146 HydrophobicContact CG-CG 4.38Å; E75-K146 WeakPolarHBondContact OE1-CE 3.22Å; E75-K146 IonicContact OE1-NZ 2.65Å; E75-K146 PolarHBondContact OE1-NZ 2.88Å; E75-K146 IonicContact OE2-NZ 3.65Å; E75-N149 WeakPolarHBondContact O-CA 3.46Å; E75-Y175 PolarHBondContact OE2-OH 2.92Å
76	F	97.6	Very high	97.6	Very high	7 Å²	7	34 Å²	34	3%	0.031	18%	0.179	C	C	.	.			trans	-161.1	172.5	-171.1	84.5	-70.9	0	0	0	112.1	L73 I78 L142 V145 K146 G150 Y170	L73-F76 CarbonylContact C-O 3.59Å; L73-F76 WeakPolarHBondContact CA-O 3.38Å; L73-F76 HydrophobicContact CB-CD1 4.19Å; L73-F76 HydrophobicContact CB-CE1 4.32Å; L73-F76 WeakPolarHBondContact CB-O 3.31Å; L73-F76 HydrophobicContact CD1-CD1 4.12Å; L73-F76 HydrophobicContact CD1-CE1 3.44Å; L73-F76 VanDerWaalsContact CD1-CE1 3.44Å; L73-F76 HydrophobicContact CD1-CZ 3.86Å; L73-F76 HydrophobicContact CG-CE1 4.49Å; L73-F76 PolarHBondContact N-O 3.49Å; L73-F76 VanDerWaalsContact O-O 3.1Å; F76-I78 HydrophobicContact CD2-CG1 4.19Å; F76-I78 HydrophobicContact CE2-CD1 3.95Å; F76-I78 HydrophobicContact CE2-CG1 3.38Å; F76-I78 HydrophobicContact CZ-CD1 3.66Å; F76-I78 HydrophobicContact CZ-CG1 3.61Å; F76-L142 HydrophobicContact CE2-CD2 4.01Å; F76-L142 HydrophobicContact CZ-CB 4.36Å; F76-L142 HydrophobicContact CZ-CD2 4.37Å; F76-V145 HydrophobicContact CD2-CB 4.27Å; F76-V145 HydrophobicContact CD2-CG1 3.91Å; F76-V145 HydrophobicContact CE2-CB 4.36Å; F76-V145 HydrophobicContact CE2-CG1 4.39Å; F76-K146 HydrophobicContact CD1-CB 3.76Å; F76-K146 HydrophobicContact CD1-CD 4.48Å; F76-K146 HydrophobicContact CD1-CG 4.09Å; F76-K146 HydrophobicContact CE1-CB 3.87Å; F76-K146 HydrophobicContact CE1-CD 4.37Å; F76-K146 HydrophobicContact CE1-CG 4.35Å; F76-K146 HydrophobicContact CG-CB 4.22Å; F76-K146 HydrophobicContact CZ-CB 4.42Å; F76-G150 WeakPolarHBondContact CB-O 3.39Å; F76-Y170 AromaticContact CE1-CE1 3.98Å; F76-Y170 HydrophobicContact CE1-CE1 3.98Å; F76-Y170 AromaticContact CZ-CE1 3.72Å; F76-Y170 HydrophobicContact CZ-CE1 3.72Å; F76-Y170 AromaticContact CZ-CZ 4Å
77	T	98	Very high	97.6	Very high	33 Å²	33	35.4 Å²	35.4	20%	0.202	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.4	178.6	-57.9	0	0	0	0	111.3	K70 L79 G150 C151 C152	K70-T77 HydrophobicContact CD-CG2 4.45Å; K70-T77 HydrophobicContact CG-CG2 4.09Å; T77-L79 HydrophobicContact CG2-CD2 3.66Å; T77-L79 HydrophobicContact CG2-CG 4.08Å; T77-G150 PolarHBondContact N-O 3.28Å; T77-C151 WeakPolarHBondContact O-CA 3.35Å; T77-C152 PolarHBondContact O-N 3.2Å
78	I	98.6	Very high	97.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.5	167.4	-53.7	175.5	0	0	0	108.6	I71 L73 F76 L142 C152 I154 I167 Y170	I71-I78 HydrophobicContact CB-CB 4.34Å; I71-I78 PolarHBondContact N-O 3.22Å; I71-I78 PolarHBondContact O-N 2.96Å; L73-I78 HydrophobicContact CD1-CD1 3.74Å; L73-I78 HydrophobicContact CD1-CG1 4.19Å; F76-I78 HydrophobicContact CD2-CG1 4.19Å; F76-I78 HydrophobicContact CE2-CD1 3.95Å; F76-I78 HydrophobicContact CE2-CG1 3.38Å; F76-I78 HydrophobicContact CZ-CD1 3.66Å; F76-I78 HydrophobicContact CZ-CG1 3.61Å; I78-L142 HydrophobicContact CD1-CD1 4.32Å; I78-L142 HydrophobicContact CD1-CD2 4.22Å; I78-L142 HydrophobicContact CG1-CD2 4.28Å; I78-C152 CarbonylContact C-O 2.95Å; I78-C152 WeakPolarHBondContact CA-O 3.43Å; I78-I154 HydrophobicContact CG2-CD1 3.77Å; I78-I154 HydrophobicContact CG2-CG1 4.16Å; I78-I167 HydrophobicContact CG2-CD1 3.69Å; I78-I167 HydrophobicContact CG2-CG1 3.91Å; I78-Y170 HydrophobicContact CD1-CD1 3.81Å; I78-Y170 HydrophobicContact CD1-CE1 4.02Å
79	L	98.8	Very high	97.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	152.3	172.6	-57	-177.8	0	0	0	109.4	I68 G69 K70 T77 N95 V97 C151 C152 F153 I154	I68-L79 HydrophobicContact CG2-CB 3.86Å; I68-L79 HydrophobicContact CG2-CD1 4.3Å; I68-L79 HydrophobicContact CG2-CD2 3.93Å; I68-L79 HydrophobicContact CG2-CG 4.24Å; G69-L79 CarbonylContact O-C 3.49Å; G69-L79 VanDerWaalsContact O-CA 3.26Å; G69-L79 WeakPolarHBondContact O-CA 3.43Å; K70-L79 HydrophobicContact CB-CD2 3.63Å; K70-L79 HydrophobicContact CD-CD2 3.85Å; K70-L79 HydrophobicContact CG-CD2 3.53Å; T77-L79 HydrophobicContact CG2-CD2 3.66Å; T77-L79 HydrophobicContact CG2-CG 4.08Å; L79-N95 HydrophobicContact CD1-CB 3.6Å; L79-V97 HydrophobicContact CD1-CG2 4.02Å; L79-C151 WeakPolarHBondContact CD1-SG 3.1Å; L79-C152 PolarHBondContact N-O 3.39Å; L79-F153 HydrophobicContact CB-CB 4.39Å; L79-F153 HydrophobicContact CB-CD2 3.8Å; L79-F153 CarbonylContact O-C 3.49Å; L79-F153 WeakPolarHBondContact O-CA 3.48Å; L79-I154 PolarHBondContact O-N 3.31Å
80	F	98.8	Very high	97.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.3	170.7	67.9	-77.8	0	0	0	112.9	G69 I71 F153 I154 A163 P164 I167 V186 S189 R190 I192	G69-F80 PolarHBondContact N-O 3.49Å; G69-F80 WeakPolarHBondContact O-CD1 3.26Å; G69-F80 PolarHBondContact O-N 3.24Å; I71-F80 HydrophobicContact CD1-CE1 4.45Å; I71-F80 HydrophobicContact CG1-CE1 4.44Å; F80-F153 VanDerWaalsContact C-CE2 3.44Å; F80-I154 WeakPolarHBondContact CA-O 3.43Å; F80-I154 HydrophobicContact CB-CB 4.43Å; F80-I154 WeakPolarHBondContact CB-O 3.19Å; F80-A163 HydrophobicContact CB-CB 4.35Å; F80-P164 HydrophobicContact CD2-CG 3.89Å; F80-P164 HydrophobicContact CE2-CG 3.7Å; F80-I167 HydrophobicContact CB-CD1 3.67Å; F80-I167 HydrophobicContact CD1-CD1 3.36Å; F80-I167 HydrophobicContact CE1-CD1 4.13Å; F80-I167 HydrophobicContact CG-CD1 3.64Å; F80-V186 HydrophobicContact CE1-CG1 3.73Å; F80-V186 HydrophobicContact CE2-CG1 4.25Å; F80-V186 HydrophobicContact CZ-CG1 3.49Å; F80-V186 VanDerWaalsContact CZ-CG1 3.49Å; F80-S189 VanDerWaalsContact CE1-OG 3.26Å; F80-S189 WeakPolarHBondContact CE1-OG 3.32Å; F80-S189 WeakPolarHBondContact CZ-OG 3.39Å; F80-R190 HydrophobicContact CE2-CB 3.87Å; F80-R190 HydrophobicContact CE2-CG 3.97Å; F80-R190 HydrophobicContact CZ-CB 3.71Å; F80-R190 HydrophobicContact CZ-CG 4.33Å; F80-I192 HydrophobicContact CE2-CG2 3.86Å; F80-I192 HydrophobicContact CZ-CG2 4.09Å
81	G	98.5	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	-169.1	-176.1	0	0	0	0	0	113.1	F153 I154 H155 G159	G81-F153 VanDerWaalsContact N-CE2 3.34Å; G81-I154 PolarHBondContact N-O 3.11Å; G81-H155 WeakPolarHBondContact O-CB 3.33Å; G81-G159 WeakPolarHBondContact O-CA 3.28Å
82	S	98.1	Very high	97.7	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.021	19%	0.19	C	C	.	.			trans	-75.8	174	176.2	74.9	0	0	0	0	111.6	D65 D84 V85 A86 E157	D65-S82 PolarHBondContact O-OG 3.43Å; S82-D84 PolarHBondContact O-N 3.29Å; S82-D84 WeakPolarHBondContact OG-CB 3.48Å; S82-D84 PolarHBondContact OG-N 3.38Å; S82-V85 PolarHBondContact O-N 2.87Å; S82-A86 PolarHBondContact O-N 3.14Å; S82-E157 CarbonylContact C-O 3.51Å; S82-E157 VanDerWaalsContact CA-O 3.24Å; S82-E157 WeakPolarHBondContact CA-O 3.33Å; S82-E157 WeakPolarHBondContact CB-O 3.19Å
83	V	97.9	Very high	97.8	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-25.6	167.1	67.5	0	0	0	0	112.3	V85 A86 K87 T108 Y111 E157	V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 PolarHBondContact O-N 3.07Å; V83-A86 WeakPolarHBondContact O-CA 3.48Å; V83-A86 WeakPolarHBondContact O-CB 3.42Å; V83-A86 PolarHBondContact O-N 3.44Å; V83-A86 VanDerWaalsContact O-N 3.08Å; V83-K87 HydrophobicContact CG2-CD 4.48Å; V83-K87 WeakPolarHBondContact O-CG 3.2Å; V83-K87 PolarHBondContact O-N 3.45Å; V83-T108 HydrophobicContact CG2-CG2 3.69Å; V83-Y111 HydrophobicContact CG2-CE2 3.99Å; V83-E157 PolarHBondContact N-O 3.37Å
84	D	97.7	Very high	97.8	Very high	38 Å²	38	40.3 Å²	40.3	20%	0.203	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-39.6	-180	-61.2	-29.4	0	0	0	111	L64 D65 L66 S82 A86 K87 D88	L64-D84 HydrophobicContact CB-CB 4.28Å; L64-D84 HydrophobicContact CD2-CB 4.25Å; D65-D84 PolarHBondContact N-OD2 3.2Å; L66-D84 HydrophobicContact CD2-CB 4.05Å; S82-D84 PolarHBondContact O-N 3.29Å; S82-D84 WeakPolarHBondContact OG-CB 3.48Å; S82-D84 PolarHBondContact OG-N 3.38Å; D84-A86 VanDerWaalsContact C-N 3.34Å; D84-K87 PolarHBondContact O-N 3.01Å; D84-D88 PolarHBondContact O-N 3.35Å
85	V	98.4	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-39.7	170.5	176.7	0	0	0	0	111	L66 I68 S82 V83 K87 D88 L91 L92 F153	L66-V85 HydrophobicContact CD2-CG2 4.42Å; I68-V85 HydrophobicContact CD1-CG1 3.79Å; I68-V85 HydrophobicContact CG1-CG1 3.84Å; I68-V85 HydrophobicContact CG1-CG2 3.98Å; S82-V85 PolarHBondContact O-N 2.87Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 PolarHBondContact O-N 3.07Å; V85-K87 PolarHBondContact O-N 3.18Å; V85-D88 PolarHBondContact O-N 3.4Å; V85-L91 HydrophobicContact CB-CD2 4.49Å; V85-L91 HydrophobicContact CG1-CD2 4.05Å; V85-L91 HydrophobicContact CG2-CD2 4.19Å; V85-L92 HydrophobicContact CG1-CD2 4.31Å; V85-F153 HydrophobicContact CB-CE1 4.3Å; V85-F153 HydrophobicContact CB-CE2 4.14Å; V85-F153 HydrophobicContact CB-CZ 3.59Å; V85-F153 HydrophobicContact CG1-CD2 4.33Å; V85-F153 HydrophobicContact CG1-CE1 3.99Å; V85-F153 HydrophobicContact CG1-CE2 3.55Å; V85-F153 HydrophobicContact CG1-CZ 3.37Å
86	A	98.4	Very high	98.2	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-24.6	179.6	0	0	0	0	0	113.2	S82 V83 D84 Y111 F112 F153 H155	S82-A86 PolarHBondContact O-N 3.14Å; V83-A86 WeakPolarHBondContact O-CA 3.48Å; V83-A86 WeakPolarHBondContact O-CB 3.42Å; V83-A86 PolarHBondContact O-N 3.44Å; V83-A86 VanDerWaalsContact O-N 3.08Å; D84-A86 VanDerWaalsContact C-N 3.34Å; A86-Y111 HydrophobicContact CB-CD2 4.43Å; A86-F112 WeakPolarHBondContact O-CE2 3.26Å; A86-F153 HydrophobicContact CB-CE1 3.96Å; A86-H155 HydrophobicContact CB-CB 4.47Å
87	K	97.7	Very high	98.3	Very high	95 Å²	95	41.8 Å²	41.8	41%	0.413	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-11.2	176.4	-70.9	167.7	-178.6	163.6	0	113.5	V83 D84 V85 Y111 F112	V83-K87 HydrophobicContact CG2-CD 4.48Å; V83-K87 WeakPolarHBondContact O-CG 3.2Å; V83-K87 PolarHBondContact O-N 3.45Å; D84-K87 PolarHBondContact O-N 3.01Å; V85-K87 PolarHBondContact O-N 3.18Å; K87-Y111 HydrophobicContact CB-CD2 4.48Å; K87-Y111 HydrophobicContact CD-CE1 4.48Å; K87-Y111 HydrophobicContact CD-CE2 4.26Å; K87-Y111 VanDerWaalsContact CE-CZ 3.43Å; K87-Y111 WeakPolarHBondContact CE-OH 3.39Å; K87-Y111 HydrophobicContact CG-CD1 4.12Å; K87-Y111 HydrophobicContact CG-CD2 3.69Å; K87-Y111 HydrophobicContact CG-CE1 3.81Å; K87-Y111 HydrophobicContact CG-CE2 3.33Å; K87-Y111 HydrophobicContact CG-CG 4.09Å; K87-Y111 VanDerWaalsContact CG-CZ 3.41Å; K87-F112 VanDerWaalsContact O-CZ 3.28Å; K87-F112 WeakPolarHBondContact O-CZ 3.48Å
88	D	98.1	Very high	98.3	Very high	49 Å²	49	42.8 Å²	42.8	26%	0.262	21%	0.213	S	C	.	.			trans	-99.7	94.7	-175.1	-170.1	-28.9	0	0	0	110.7	L66 D84 V85 D90 L91 L92	L66-D88 HydrophobicContact CD2-CB 4.5Å; D84-D88 PolarHBondContact O-N 3.35Å; V85-D88 PolarHBondContact O-N 3.4Å; D88-D90 VanDerWaalsContact C-N 3.29Å; D88-D90 PolarHBondContact O-N 3.14Å; D88-D90 PolarHBondContact OD1-N 3.22Å; D88-L91 HydrophobicContact CB-CB 3.84Å; D88-L91 HydrophobicContact CB-CD2 4.5Å; D88-L91 PolarHBondContact O-N 3.23Å; D88-L91 WeakPolarHBondContact OD1-CB 2.9Å; D88-L91 PolarHBondContact OD1-N 3.32Å; D88-L92 VanDerWaalsContact O-CG 3.25Å; D88-L92 WeakPolarHBondContact O-CG 3.39Å; D88-L92 PolarHBondContact O-N 3.32Å
89	L	98.4	Very high	98.3	Very high	36 Å²	36	43.7 Å²	43.7	19%	0.188	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-39.8	-178.8	-176.3	56.3	0	0	0	112.5	L92 K93 F112 F115 F116	L89-L92 PolarHBondContact O-N 3.06Å; L89-K93 HydrophobicContact CD1-CD 4.18Å; L89-K93 HydrophobicContact CD1-CG 4.26Å; L89-K93 HydrophobicContact CG-CD 4.11Å; L89-K93 WeakPolarHBondContact O-CB 3.42Å; L89-K93 WeakPolarHBondContact O-CG 3.49Å; L89-K93 PolarHBondContact O-N 2.69Å; L89-F112 HydrophobicContact CB-CD1 4.27Å; L89-F112 HydrophobicContact CB-CD2 4.33Å; L89-F112 HydrophobicContact CB-CE1 3.8Å; L89-F112 HydrophobicContact CB-CE2 3.84Å; L89-F112 HydrophobicContact CB-CZ 3.57Å; L89-F112 HydrophobicContact CD1-CB 4.25Å; L89-F112 HydrophobicContact CD1-CD1 3.98Å; L89-F112 HydrophobicContact CD1-CD2 4Å; L89-F112 HydrophobicContact CD1-CE1 4.38Å; L89-F112 HydrophobicContact CD1-CE2 4.37Å; L89-F112 HydrophobicContact CD1-CG 3.79Å; L89-F112 HydrophobicContact CD2-CD1 4.18Å; L89-F112 HydrophobicContact CD2-CE1 4.17Å; L89-F112 HydrophobicContact CG-CD1 4.38Å; L89-F112 HydrophobicContact CG-CE1 4.34Å; L89-F115 HydrophobicContact CD1-CB 4.46Å; L89-F115 HydrophobicContact CD1-CD2 3.84Å; L89-F115 HydrophobicContact CD1-CE2 4.37Å; L89-F115 HydrophobicContact CD1-CG 4.23Å; L89-F115 HydrophobicContact CD2-CD2 4.09Å; L89-F115 HydrophobicContact CD2-CE2 3.77Å; L89-F115 HydrophobicContact CD2-CZ 4.4Å; L89-F116 HydrophobicContact CD1-CE2 3.77Å; L89-F116 HydrophobicContact CD1-CZ 3.87Å
90	D	98.3	Very high	98.3	Very high	125 Å²	125	43.7 Å²	43.7	67%	0.668	22%	0.218	S	C	*	.	H	α-helix	trans	-69.8	-42	-176.2	-70.2	-31.1	0	0	0	110	D88 K93 L94	D88-D90 VanDerWaalsContact C-N 3.29Å; D88-D90 PolarHBondContact O-N 3.14Å; D88-D90 PolarHBondContact OD1-N 3.22Å; D90-K93 PolarHBondContact O-N 2.81Å; D90-L94 WeakPolarHBondContact O-CB 3.26Å; D90-L94 PolarHBondContact O-N 2.97Å
91	L	98.1	Very high	98.3	Very high	34 Å²	34	43.7 Å²	43.7	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-41.1	175.5	-173.6	60.8	0	0	0	112.1	L66 I68 V85 D88 N95	L66-L91 HydrophobicContact CB-CD2 4.21Å; L66-L91 HydrophobicContact CD2-CD2 4.29Å; I68-L91 HydrophobicContact CD1-CD1 4.17Å; I68-L91 HydrophobicContact CD1-CD2 3.97Å; I68-L91 HydrophobicContact CD1-CG 3.86Å; V85-L91 HydrophobicContact CB-CD2 4.49Å; V85-L91 HydrophobicContact CG1-CD2 4.05Å; V85-L91 HydrophobicContact CG2-CD2 4.19Å; D88-L91 HydrophobicContact CB-CB 3.84Å; D88-L91 HydrophobicContact CB-CD2 4.5Å; D88-L91 PolarHBondContact O-N 3.23Å; D88-L91 WeakPolarHBondContact OD1-CB 2.9Å; D88-L91 PolarHBondContact OD1-N 3.32Å; L91-N95 WeakPolarHBondContact O-CB 3.42Å; L91-N95 PolarHBondContact O-N 3.27Å; L91-N95 VanDerWaalsContact O-N 3.11Å; L91-N95 PolarHBondContact O-ND2 2.96Å
92	L	98.7	Very high	98.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-45.3	174.8	-69.1	169	0	0	0	111.5	V85 D88 L89 N95 K96 V97 I100 F112 F116 F153	V85-L92 HydrophobicContact CG1-CD2 4.31Å; D88-L92 VanDerWaalsContact O-CG 3.25Å; D88-L92 WeakPolarHBondContact O-CG 3.39Å; D88-L92 PolarHBondContact O-N 3.32Å; L89-L92 PolarHBondContact O-N 3.06Å; L92-N95 CarbonylContact O-C 3.54Å; L92-N95 PolarHBondContact O-N 3.35Å; L92-K96 PolarHBondContact O-N 3.31Å; L92-V97 HydrophobicContact CB-CB 4.31Å; L92-V97 HydrophobicContact CB-CG2 4.38Å; L92-V97 HydrophobicContact CD2-CB 4.35Å; L92-V97 HydrophobicContact CD2-CG1 4.37Å; L92-V97 HydrophobicContact CD2-CG2 3.94Å; L92-V97 WeakPolarHBondContact O-CB 3.44Å; L92-V97 WeakPolarHBondContact O-CG2 3.2Å; L92-V97 PolarHBondContact O-N 3.41Å; L92-I100 HydrophobicContact CD1-CD1 3.95Å; L92-I100 HydrophobicContact CD2-CD1 4.3Å; L92-F112 HydrophobicContact CD1-CD2 3.92Å; L92-F112 HydrophobicContact CD1-CE2 4.14Å; L92-F116 HydrophobicContact CB-CE1 4.34Å; L92-F116 HydrophobicContact CB-CE2 4.19Å; L92-F116 HydrophobicContact CB-CZ 3.62Å; L92-F116 HydrophobicContact CD1-CE2 3.82Å; L92-F116 HydrophobicContact CD1-CZ 4.13Å; L92-F153 HydrophobicContact CD2-CB 4.19Å; L92-F153 HydrophobicContact CD2-CD1 3.69Å; L92-F153 HydrophobicContact CD2-CE1 4.21Å; L92-F153 HydrophobicContact CD2-CG 3.9Å
93	K	98.2	Very high	98.3	Very high	94 Å²	94	43.5 Å²	43.5	41%	0.409	22%	0.217	S	C	.	.	H	α-helix	trans	-66.2	-41.8	177.3	-78.4	179.1	175.7	169.4	0	112.4	L89 D90 N95 K96 F116	L89-K93 HydrophobicContact CD1-CD 4.18Å; L89-K93 HydrophobicContact CD1-CG 4.26Å; L89-K93 HydrophobicContact CG-CD 4.11Å; L89-K93 WeakPolarHBondContact O-CB 3.42Å; L89-K93 WeakPolarHBondContact O-CG 3.49Å; L89-K93 PolarHBondContact O-N 2.69Å; D90-K93 PolarHBondContact O-N 2.81Å; K93-N95 PolarHBondContact O-N 2.94Å; K93-K96 WeakPolarHBondContact O-CA 3.25Å; K93-K96 PolarHBondContact O-N 2.65Å; K93-F116 HydrophobicContact CG-CZ 4.48Å
94	L	98.1	Very high	98.3	Very high	138 Å²	138	43.3 Å²	43.3	72%	0.723	22%	0.215	S	C	*	.	H	α-helix	trans	-57.5	-37.8	175.4	-179.9	64.4	0	0	0	111.2	D90 K96	D90-L94 WeakPolarHBondContact O-CB 3.26Å; D90-L94 PolarHBondContact O-N 2.97Å; L94-K96 PolarHBondContact O-N 3.43Å
95	N	98.1	Very high	98.4	Very high	45 Å²	45	43.5 Å²	43.5	24%	0.241	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	8.6	176.2	-77.2	-78.3	0	0	0	114.3	I68 L79 L91 L92 K93 V97 C151	I68-N95 WeakPolarHBondContact CD1-ND2 3.47Å; L79-N95 HydrophobicContact CD1-CB 3.6Å; L91-N95 WeakPolarHBondContact O-CB 3.42Å; L91-N95 PolarHBondContact O-N 3.27Å; L91-N95 VanDerWaalsContact O-N 3.11Å; L91-N95 PolarHBondContact O-ND2 2.96Å; L92-N95 CarbonylContact O-C 3.54Å; L92-N95 PolarHBondContact O-N 3.35Å; K93-N95 PolarHBondContact O-N 2.94Å; N95-V97 HydrophobicContact CB-CG2 4.24Å; N95-V97 PolarHBondContact O-N 2.98Å; N95-C151 PolarHBondContact O-SG 2.71Å
96	K	97.7	Very high	98.3	Very high	170 Å²	170	47.4 Å²	47.4	74%	0.739	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	32.2	178.3	-53.6	-179	-179.4	-179	0	113.1	L92 K93 L94 T98 C151	L92-K96 PolarHBondContact O-N 3.31Å; K93-K96 WeakPolarHBondContact O-CA 3.25Å; K93-K96 PolarHBondContact O-N 2.65Å; L94-K96 PolarHBondContact O-N 3.43Å; K96-T98 PolarHBondContact O-N 2.89Å; K96-C151 WeakPolarHBondContact O-CB 3.37Å
97	V	98.6	Very high	98.2	Very high	10 Å²	10	52.5 Å²	52.5	6%	0.061	27%	0.266	C	S	.	.			trans	-59.1	137.2	177.7	176.2	0	0	0	0	109.2	L79 L92 N95 H99 I100 F116 F153	L79-V97 HydrophobicContact CD1-CG2 4.02Å; L92-V97 HydrophobicContact CB-CB 4.31Å; L92-V97 HydrophobicContact CB-CG2 4.38Å; L92-V97 HydrophobicContact CD2-CB 4.35Å; L92-V97 HydrophobicContact CD2-CG1 4.37Å; L92-V97 HydrophobicContact CD2-CG2 3.94Å; L92-V97 WeakPolarHBondContact O-CB 3.44Å; L92-V97 WeakPolarHBondContact O-CG2 3.2Å; L92-V97 PolarHBondContact O-N 3.41Å; N95-V97 HydrophobicContact CB-CG2 4.24Å; N95-V97 PolarHBondContact O-N 2.98Å; V97-H99 WeakPolarHBondContact CG1-O 3.43Å; V97-I100 HydrophobicContact CG1-CD1 4.15Å; V97-I100 HydrophobicContact CG1-CG1 3.69Å; V97-F116 HydrophobicContact CB-CD1 4.32Å; V97-F116 HydrophobicContact CB-CE1 4Å; V97-F116 HydrophobicContact CG1-CD1 3.96Å; V97-F116 HydrophobicContact CG1-CE1 4.1Å; V97-F116 WeakPolarHBondContact O-CD1 3.31Å; V97-F116 WeakPolarHBondContact O-CE1 3.42Å; V97-F153 HydrophobicContact CG1-CB 3.84Å; V97-F153 HydrophobicContact CG2-CB 3.92Å
98	T	98.4	Very high	98.1	Very high	53 Å²	53	48.4 Å²	48.4	33%	0.325	25%	0.249	S	C	.	.			trans	-120.8	-31.1	179.5	54.5	0	0	0	0	111.4	K96 H117 C151	K96-T98 PolarHBondContact O-N 2.89Å; T98-H117 PolarHBondContact O-N 3.23Å; T98-H117 VanDerWaalsContact O-N 3.11Å; T98-C151 PolarHBondContact N-O 2.77Å; T98-C151 PolarHBondContact OG1-N 3.43Å; T98-C151 PolarHBondContact OG1-O 3.07Å
99	H	98.7	Very high	98.1	Very high	19 Å²	19	49.8 Å²	49.8	9%	0.088	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.6	-175.5	-65.3	75.9	0	0	0	109.5	V97 H117 F141 V145 C151 C152 F153	V97-H99 WeakPolarHBondContact CG1-O 3.43Å; H99-H117 CarbonylContact C-O 3.47Å; H99-H117 VanDerWaalsContact CA-O 3.24Å; H99-H117 WeakPolarHBondContact CA-O 3.43Å; H99-H117 AromaticContact NE2-CD2 3.88Å; H99-F141 HydrophobicContact CB-CE1 3.77Å; H99-F141 HydrophobicContact CB-CZ 3.89Å; H99-F141 AromaticContact CD2-CZ 3.71Å; H99-V145 HydrophobicContact CB-CG1 4.49Å; H99-V145 HydrophobicContact CB-CG2 3.66Å; H99-V145 VanDerWaalsContact CG-CG2 3.45Å; H99-C151 PolarHBondContact N-O 3.23Å; H99-C151 VanDerWaalsContact N-O 3.14Å; H99-C152 HydrophobicContact CB-CB 4.38Å; H99-C152 CarbonylContact O-C 3.54Å; H99-C152 VanDerWaalsContact O-CA 3.29Å; H99-C152 WeakPolarHBondContact O-CA 3.24Å; H99-F153 PolarHBondContact O-N 2.64Å
100	I	98.8	Very high	98.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.2	178.5	-60.8	-178.6	0	0	0	110.1	L92 V97 F116 H117 Y118 L119 F153	L92-I100 HydrophobicContact CD1-CD1 3.95Å; L92-I100 HydrophobicContact CD2-CD1 4.3Å; V97-I100 HydrophobicContact CG1-CD1 4.15Å; V97-I100 HydrophobicContact CG1-CG1 3.69Å; I100-F116 HydrophobicContact CD1-CB 3.97Å; I100-F116 HydrophobicContact CD1-CD1 4.44Å; I100-F116 HydrophobicContact CD1-CD2 3.47Å; I100-F116 VanDerWaalsContact CD1-CD2 3.47Å; I100-F116 HydrophobicContact CD1-CE2 4.03Å; I100-F116 HydrophobicContact CD1-CG 3.7Å; I100-F116 HydrophobicContact CG1-CB 4.03Å; I100-F116 HydrophobicContact CG1-CD2 4.4Å; I100-F116 HydrophobicContact CG1-CG 4.15Å; I100-H117 PolarHBondContact N-O 2.84Å; I100-Y118 HydrophobicContact CB-CD1 3.75Å; I100-Y118 HydrophobicContact CB-CE1 3.61Å; I100-Y118 HydrophobicContact CB-CG 4.35Å; I100-Y118 HydrophobicContact CD1-CE1 4.05Å; I100-Y118 HydrophobicContact CD1-CE2 4.43Å; I100-Y118 HydrophobicContact CG1-CE1 4.36Å; I100-Y118 HydrophobicContact CG2-CD1 3.81Å; I100-Y118 HydrophobicContact CG2-CE1 3.5Å; I100-Y118 VanDerWaalsContact CG2-CE1 3.5Å; I100-Y118 CarbonylContact O-C 3.54Å; I100-Y118 VanDerWaalsContact O-CA 3.28Å; I100-Y118 WeakPolarHBondContact O-CA 3.46Å; I100-L119 PolarHBondContact O-N 2.92Å; I100-F153 CarbonylContact C-O 3.6Å; I100-F153 VanDerWaalsContact CA-O 3.22Å; I100-F153 WeakPolarHBondContact CA-O 3.39Å; I100-F153 HydrophobicContact CG1-CB 4.34Å; I100-F153 HydrophobicContact CG2-CD1 4.31Å
101	I	98.8	Very high	98.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.4	167.5	-56	-180	0	0	0	108	L103 L119 C138 F141 L142 F153 I154 H155	I101-L103 HydrophobicContact CG2-CD2 3.61Å; I101-L103 HydrophobicContact CG2-CG 4.12Å; I101-L119 WeakPolarHBondContact CA-O 3.47Å; I101-L119 HydrophobicContact CD1-CD2 4.39Å; I101-L119 HydrophobicContact CG1-CB 4.24Å; I101-L119 HydrophobicContact CG1-CD2 4.35Å; I101-L119 HydrophobicContact CG2-CD2 4.28Å; I101-C138 HydrophobicContact CD1-CB 4.23Å; I101-F141 HydrophobicContact CD1-CD1 3.79Å; I101-F141 HydrophobicContact CD1-CE1 4.36Å; I101-F141 HydrophobicContact CG1-CD1 3.6Å; I101-F141 HydrophobicContact CG1-CE1 3.69Å; I101-L142 HydrophobicContact CD1-CD2 4.21Å; I101-L142 HydrophobicContact CD1-CG 4.11Å; I101-F153 PolarHBondContact N-O 2.84Å; I101-I154 HydrophobicContact CB-CB 4.38Å; I101-I154 HydrophobicContact CB-CG1 4.15Å; I101-I154 HydrophobicContact CB-CG2 4.07Å; I101-I154 HydrophobicContact CD1-CD1 3.98Å; I101-I154 HydrophobicContact CD1-CG1 4.01Å; I101-I154 HydrophobicContact CG1-CG1 4.27Å; I101-I154 HydrophobicContact CG2-CG2 4.29Å; I101-H155 PolarHBondContact O-N 3.29Å
102	N	98.8	Very high	98.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109.9	173.2	178.4	-2.7	0	0	0	109.2	I104 S105 T108 N110 L119 L121 H155	N102-I104 VanDerWaalsContact C-N 3.34Å; N102-I104 WeakPolarHBondContact OD1-CG1 3.29Å; N102-I104 PolarHBondContact OD1-N 3.19Å; N102-S105 PolarHBondContact OD1-N 3.08Å; N102-T108 PolarHBondContact ND2-O 3.27Å; N102-N110 PolarHBondContact ND2-OD1 3.25Å; N102-L119 PolarHBondContact N-O 3.13Å; N102-L121 PolarHBondContact O-N 2.83Å; N102-L121 VanDerWaalsContact O-O 3.07Å; N102-H155 WeakPolarHBondContact CB-NE2 3.31Å; N102-H155 VanDerWaalsContact CG-CE1 3.44Å; N102-H155 PolarHBondContact OD1-CE1 2.8Å; N102-H155 VanDerWaalsContact OD1-CE1 3.3Å
103	L	98.8	Very high	98.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4.6	-178.2	-59.7	175.6	0	0	0	114.2	I101 L121 V123 T134 I154 H155 C156 R162 A163 I166	I101-L103 HydrophobicContact CG2-CD2 3.61Å; I101-L103 HydrophobicContact CG2-CG 4.12Å; L103-L121 CarbonylContact C-O 3.28Å; L103-L121 WeakPolarHBondContact CA-O 3.44Å; L103-L121 HydrophobicContact CD2-CB 4.37Å; L103-L121 HydrophobicContact CD2-CD1 4.29Å; L103-V123 HydrophobicContact CB-CB 4.24Å; L103-V123 HydrophobicContact CB-CG2 4.04Å; L103-V123 HydrophobicContact CD2-CG2 3.93Å; L103-V123 HydrophobicContact CG-CG2 4.49Å; L103-V123 PolarHBondContact O-N 3.02Å; L103-T134 HydrophobicContact CD2-CG2 4.38Å; L103-I154 HydrophobicContact CD1-CG2 3.95Å; L103-I154 HydrophobicContact CG-CG2 4.34Å; L103-H155 WeakPolarHBondContact CB-O 3.06Å; L103-H155 WeakPolarHBondContact CG-O 3.42Å; L103-H155 PolarHBondContact N-O 3.33Å; L103-C156 HydrophobicContact CB-CB 4.2Å; L103-R162 HydrophobicContact CD1-CB 4.02Å; L103-A163 HydrophobicContact CD1-CB 4.1Å; L103-I166 HydrophobicContact CD1-CG1 3.81Å; L103-I166 HydrophobicContact CD2-CG1 4.18Å
104	I	98.4	Very high	98	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-136.2	41.8	-178.7	55.4	161.3	0	0	0	110.9	N102 N106 I107 T108 L121 C156 E157	N102-I104 VanDerWaalsContact C-N 3.34Å; N102-I104 WeakPolarHBondContact OD1-CG1 3.29Å; N102-I104 PolarHBondContact OD1-N 3.19Å; I104-N106 PolarHBondContact O-N 2.99Å; I104-I107 PolarHBondContact O-N 3.32Å; I104-T108 HydrophobicContact CD1-CG2 3.56Å; I104-T108 WeakPolarHBondContact CD1-OG1 3.41Å; I104-T108 HydrophobicContact CG1-CG2 4.38Å; I104-T108 WeakPolarHBondContact CG1-OG1 3.46Å; I104-T108 PolarHBondContact O-N 3.06Å; I104-L121 PolarHBondContact N-O 3.49Å; I104-C156 VanDerWaalsContact CD1-C 3.43Å; I104-C156 WeakPolarHBondContact CD1-O 3.46Å; I104-C156 HydrophobicContact CG2-CB 4.13Å; I104-E157 HydrophobicContact CD1-CB 4.19Å; I104-E157 WeakPolarHBondContact CD1-OE2 3.36Å
105	S	97.9	Very high	98	Very high	42 Å²	42	51.3 Å²	51.3	29%	0.294	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.9	-174.8	61.7	0	0	0	0	114.4	N102 I107 L121 T122	N102-S105 PolarHBondContact OD1-N 3.08Å; S105-I107 VanDerWaalsContact C-N 3.33Å; S105-L121 PolarHBondContact N-O 3.49Å; S105-L121 VanDerWaalsContact N-O 3.07Å; S105-L121 PolarHBondContact OG-O 2.9Å; S105-L121 VanDerWaalsContact OG-O 3.08Å; S105-T122 PolarHBondContact OG-OG1 3.44Å
106	N	97.3	Very high	98	Very high	81 Å²	81	49.8 Å²	49.8	43%	0.433	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.4	172.6	67.4	-42.1	0	0	0	114.1	I104 T122	I104-N106 PolarHBondContact O-N 2.99Å; N106-T122 HydrophobicContact CB-CG2 4.13Å
107	I	96.6	Very high	98	Very high	109 Å²	109	47.8 Å²	47.8	56%	0.559	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-42.9	-177.5	-58.9	170.2	0	0	0	110.5	I104 S105	I104-I107 PolarHBondContact O-N 3.32Å; S105-I107 VanDerWaalsContact C-N 3.33Å
108	T	96	Very high	98	Very high	10 Å²	10	49.4 Å²	49.4	6%	0.061	25%	0.254	C	S	.	.	S	Bend	trans	-120.9	133.4	-176.2	64.3	0	0	0	0	110.7	V83 N102 I104	V83-T108 HydrophobicContact CG2-CG2 3.69Å; N102-T108 PolarHBondContact ND2-O 3.27Å; I104-T108 HydrophobicContact CD1-CG2 3.56Å; I104-T108 WeakPolarHBondContact CD1-OG1 3.41Å; I104-T108 HydrophobicContact CG1-CG2 4.38Å; I104-T108 WeakPolarHBondContact CG1-OG1 3.46Å; I104-T108 PolarHBondContact O-N 3.06Å
109	P	97.9	Very high	98.1	Very high	77 Å²	77	48.3 Å²	48.3	50%	0.5	25%	0.246	S	C	.	.			trans	-72.4	165.4	177.5	32.9	-36.1	0	0	0	110.7	Y111	P109-Y111 HydrophobicContact CG-CD1 4.21Å; P109-Y111 HydrophobicContact CG-CE1 3.83Å; P109-Y111 PolarHBondContact O-N 3.4Å
110	N	98.4	Very high	98.1	Very high	47 Å²	47	49.8 Å²	49.8	25%	0.251	26%	0.258	S	S	.	.			trans	-71.6	111.2	161.5	-60.9	-18.2	0	0	0	107.1	N102 F112 P113 Y118 S120	N102-N110 PolarHBondContact ND2-OD1 3.25Å; N110-F112 VanDerWaalsContact C-N 3.32Å; N110-F112 PolarHBondContact O-N 2.99Å; N110-P113 WeakPolarHBondContact O-CD 3.15Å; N110-Y118 HydrophobicContact CB-CD1 3.56Å; N110-Y118 HydrophobicContact CB-CD2 4.07Å; N110-Y118 HydrophobicContact CB-CE1 3.48Å; N110-Y118 VanDerWaalsContact CB-CE1 3.48Å; N110-Y118 HydrophobicContact CB-CE2 4.04Å; N110-Y118 HydrophobicContact CB-CG 3.84Å; N110-Y118 VanDerWaalsContact CG-CG 3.49Å; N110-Y118 WeakPolarHBondContact ND2-CB 3.43Å; N110-Y118 WeakPolarHBondContact OD1-CD1 3.25Å; N110-S120 PolarHBondContact ND2-OG 2.78Å; N110-S120 PolarHBondContact OD1-OG 3.38Å; N110-S120 VanDerWaalsContact OD1-OG 3.08Å
111	Y	98.2	Very high	98	Very high	73 Å²	73	50.5 Å²	50.5	29%	0.286	26%	0.262	S	S	.	.	S	Bend	trans	-70.4	-27.9	-171.9	-71.1	-74.1	0	0	0	113.7	V83 A86 K87 P109	V83-Y111 HydrophobicContact CG2-CE2 3.99Å; A86-Y111 HydrophobicContact CB-CD2 4.43Å; K87-Y111 HydrophobicContact CB-CD2 4.48Å; K87-Y111 HydrophobicContact CD-CE1 4.48Å; K87-Y111 HydrophobicContact CD-CE2 4.26Å; K87-Y111 VanDerWaalsContact CE-CZ 3.43Å; K87-Y111 WeakPolarHBondContact CE-OH 3.39Å; K87-Y111 HydrophobicContact CG-CD1 4.12Å; K87-Y111 HydrophobicContact CG-CD2 3.69Å; K87-Y111 HydrophobicContact CG-CE1 3.81Å; K87-Y111 HydrophobicContact CG-CE2 3.33Å; K87-Y111 HydrophobicContact CG-CG 4.09Å; K87-Y111 VanDerWaalsContact CG-CZ 3.41Å; P109-Y111 HydrophobicContact CG-CD1 4.21Å; P109-Y111 HydrophobicContact CG-CE1 3.83Å; P109-Y111 PolarHBondContact O-N 3.4Å
112	F	98.3	Very high	98	Very high	32 Å²	32	52.9 Å²	52.9	14%	0.14	28%	0.276	C	S	.	.			trans	-136.9	52.6	-169.9	-54.9	-59.5	0	0	0	112.9	A86 K87 L89 L92 N110 E114 F115 F116 Y118	A86-F112 WeakPolarHBondContact O-CE2 3.26Å; K87-F112 VanDerWaalsContact O-CZ 3.28Å; K87-F112 WeakPolarHBondContact O-CZ 3.48Å; L89-F112 HydrophobicContact CB-CD1 4.27Å; L89-F112 HydrophobicContact CB-CD2 4.33Å; L89-F112 HydrophobicContact CB-CE1 3.8Å; L89-F112 HydrophobicContact CB-CE2 3.84Å; L89-F112 HydrophobicContact CB-CZ 3.57Å; L89-F112 HydrophobicContact CD1-CB 4.25Å; L89-F112 HydrophobicContact CD1-CD1 3.98Å; L89-F112 HydrophobicContact CD1-CD2 4Å; L89-F112 HydrophobicContact CD1-CE1 4.38Å; L89-F112 HydrophobicContact CD1-CE2 4.37Å; L89-F112 HydrophobicContact CD1-CG 3.79Å; L89-F112 HydrophobicContact CD2-CD1 4.18Å; L89-F112 HydrophobicContact CD2-CE1 4.17Å; L89-F112 HydrophobicContact CG-CD1 4.38Å; L89-F112 HydrophobicContact CG-CE1 4.34Å; L92-F112 HydrophobicContact CD1-CD2 3.92Å; L92-F112 HydrophobicContact CD1-CE2 4.14Å; N110-F112 VanDerWaalsContact C-N 3.32Å; N110-F112 PolarHBondContact O-N 2.99Å; F112-E114 WeakPolarHBondContact CA-OE2 3.39Å; F112-E114 PolarHBondContact O-N 3.17Å; F112-E114 VanDerWaalsContact O-N 3.13Å; F112-F115 HydrophobicContact CB-CB 4.4Å; F112-F115 HydrophobicContact CB-CD2 4.1Å; F112-F115 PolarHBondContact O-N 2.84Å; F112-F116 HydrophobicContact CB-CD2 3.74Å; F112-F116 HydrophobicContact CB-CE2 3.7Å; F112-F116 HydrophobicContact CD2-CE2 4.06Å; F112-F116 HydrophobicContact CG-CE2 4.21Å; F112-F116 PolarHBondContact O-N 2.82Å; F112-Y118 PolarHBondContact N-OH 3.21Å; F112-Y118 WeakPolarHBondContact O-CE2 3.29Å
113	P	97.8	Very high	98	Very high	82 Å²	82	53 Å²	53	53%	0.532	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.8	-175.1	28.4	-37	0	0	0	114.2	N110	N110-P113 WeakPolarHBondContact O-CD 3.15Å
114	E	97.5	Very high	98	Very high	126 Å²	126	58.7 Å²	58.7	59%	0.589	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.3	176.2	72.1	-76.7	-174.5	0	0	113.7	F112	F112-E114 WeakPolarHBondContact CA-OE2 3.39Å; F112-E114 PolarHBondContact O-N 3.17Å; F112-E114 VanDerWaalsContact O-N 3.13Å
115	F	97.7	Very high	97.9	Very high	100 Å²	100	62 Å²	62	44%	0.439	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-24.9	-176.2	-67.6	-66.5	0	0	0	114.1	L89 F112	L89-F115 HydrophobicContact CD1-CB 4.46Å; L89-F115 HydrophobicContact CD1-CD2 3.84Å; L89-F115 HydrophobicContact CD1-CE2 4.37Å; L89-F115 HydrophobicContact CD1-CG 4.23Å; L89-F115 HydrophobicContact CD2-CD2 4.09Å; L89-F115 HydrophobicContact CD2-CE2 3.77Å; L89-F115 HydrophobicContact CD2-CZ 4.4Å; F112-F115 HydrophobicContact CB-CB 4.4Å; F112-F115 HydrophobicContact CB-CD2 4.1Å; F112-F115 PolarHBondContact O-N 2.84Å
116	F	98.2	Very high	97.9	Very high	14 Å²	14	63.1 Å²	63.1	6%	0.061	32%	0.32	C	S	.	.	S	Bend	trans	-133.8	151.5	-174.2	-47.1	-72.5	0	0	0	111.8	L89 L92 K93 V97 I100 F112 Y118	L89-F116 HydrophobicContact CD1-CE2 3.77Å; L89-F116 HydrophobicContact CD1-CZ 3.87Å; L92-F116 HydrophobicContact CB-CE1 4.34Å; L92-F116 HydrophobicContact CB-CE2 4.19Å; L92-F116 HydrophobicContact CB-CZ 3.62Å; L92-F116 HydrophobicContact CD1-CE2 3.82Å; L92-F116 HydrophobicContact CD1-CZ 4.13Å; K93-F116 HydrophobicContact CG-CZ 4.48Å; V97-F116 HydrophobicContact CB-CD1 4.32Å; V97-F116 HydrophobicContact CB-CE1 4Å; V97-F116 HydrophobicContact CG1-CD1 3.96Å; V97-F116 HydrophobicContact CG1-CE1 4.1Å; V97-F116 WeakPolarHBondContact O-CD1 3.31Å; V97-F116 WeakPolarHBondContact O-CE1 3.42Å; I100-F116 HydrophobicContact CD1-CB 3.97Å; I100-F116 HydrophobicContact CD1-CD1 4.44Å; I100-F116 HydrophobicContact CD1-CD2 3.47Å; I100-F116 VanDerWaalsContact CD1-CD2 3.47Å; I100-F116 HydrophobicContact CD1-CE2 4.03Å; I100-F116 HydrophobicContact CD1-CG 3.7Å; I100-F116 HydrophobicContact CG1-CB 4.03Å; I100-F116 HydrophobicContact CG1-CD2 4.4Å; I100-F116 HydrophobicContact CG1-CG 4.15Å; F112-F116 HydrophobicContact CB-CD2 3.74Å; F112-F116 HydrophobicContact CB-CE2 3.7Å; F112-F116 HydrophobicContact CD2-CE2 4.06Å; F112-F116 HydrophobicContact CG-CE2 4.21Å; F112-F116 PolarHBondContact O-N 2.82Å; F116-Y118 HydrophobicContact CB-CD2 4.33Å; F116-Y118 HydrophobicContact CB-CE2 3.84Å; F116-Y118 HydrophobicContact CD2-CE2 4.34Å; F116-Y118 VanDerWaalsContact O-CD2 3.25Å; F116-Y118 WeakPolarHBondContact O-CD2 3.47Å
117	H	98	Very high	97.9	Very high	127 Å²	127	64.8 Å²	64.8	59%	0.588	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.5	169.2	-64.9	-72.7	0	0	0	110.1	T98 H99 I100	T98-H117 PolarHBondContact O-N 3.23Å; T98-H117 VanDerWaalsContact O-N 3.11Å; H99-H117 CarbonylContact C-O 3.47Å; H99-H117 VanDerWaalsContact CA-O 3.24Å; H99-H117 WeakPolarHBondContact CA-O 3.43Å; H99-H117 AromaticContact NE2-CD2 3.88Å; I100-H117 PolarHBondContact N-O 2.84Å
118	Y	98.6	Very high	98	Very high	44 Å²	44	68 Å²	68	17%	0.173	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.8	-177.8	-77.6	-99.7	0	0	0	113.2	I100 N110 F112 F116	I100-Y118 HydrophobicContact CB-CD1 3.75Å; I100-Y118 HydrophobicContact CB-CE1 3.61Å; I100-Y118 HydrophobicContact CB-CG 4.35Å; I100-Y118 HydrophobicContact CD1-CE1 4.05Å; I100-Y118 HydrophobicContact CD1-CE2 4.43Å; I100-Y118 HydrophobicContact CG1-CE1 4.36Å; I100-Y118 HydrophobicContact CG2-CD1 3.81Å; I100-Y118 HydrophobicContact CG2-CE1 3.5Å; I100-Y118 VanDerWaalsContact CG2-CE1 3.5Å; I100-Y118 CarbonylContact O-C 3.54Å; I100-Y118 VanDerWaalsContact O-CA 3.28Å; I100-Y118 WeakPolarHBondContact O-CA 3.46Å; N110-Y118 HydrophobicContact CB-CD1 3.56Å; N110-Y118 HydrophobicContact CB-CD2 4.07Å; N110-Y118 HydrophobicContact CB-CE1 3.48Å; N110-Y118 VanDerWaalsContact CB-CE1 3.48Å; N110-Y118 HydrophobicContact CB-CE2 4.04Å; N110-Y118 HydrophobicContact CB-CG 3.84Å; N110-Y118 VanDerWaalsContact CG-CG 3.49Å; N110-Y118 WeakPolarHBondContact ND2-CB 3.43Å; N110-Y118 WeakPolarHBondContact OD1-CD1 3.25Å; F112-Y118 PolarHBondContact N-OH 3.21Å; F112-Y118 WeakPolarHBondContact O-CE2 3.29Å; F116-Y118 HydrophobicContact CB-CD2 4.33Å; F116-Y118 HydrophobicContact CB-CE2 3.84Å; F116-Y118 HydrophobicContact CD2-CE2 4.34Å; F116-Y118 VanDerWaalsContact O-CD2 3.25Å; F116-Y118 WeakPolarHBondContact O-CD2 3.47Å
119	L	98.7	Very high	98.1	Very high	30 Å²	30	69.4 Å²	69.4	16%	0.157	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.5	153.6	175.4	64.1	0	0	0	108.1	I100 I101 N102 L121 F141	I100-L119 PolarHBondContact O-N 2.92Å; I101-L119 WeakPolarHBondContact CA-O 3.47Å; I101-L119 HydrophobicContact CD1-CD2 4.39Å; I101-L119 HydrophobicContact CG1-CB 4.24Å; I101-L119 HydrophobicContact CG1-CD2 4.35Å; I101-L119 HydrophobicContact CG2-CD2 4.28Å; N102-L119 PolarHBondContact N-O 3.13Å; L119-L121 HydrophobicContact CD1-CD2 4.14Å; L119-L121 HydrophobicContact CD1-CG 4.28Å; L119-L121 HydrophobicContact CD2-CD1 3.95Å; L119-L121 HydrophobicContact CD2-CG 4.35Å; L119-L121 HydrophobicContact CG-CD1 4.17Å; L119-L121 HydrophobicContact CG-CD2 4.42Å; L119-L121 HydrophobicContact CG-CG 4.01Å; L119-F141 HydrophobicContact CB-CD1 4.09Å; L119-F141 HydrophobicContact CB-CD2 3.75Å; L119-F141 HydrophobicContact CB-CE1 4.1Å; L119-F141 HydrophobicContact CB-CE2 3.79Å; L119-F141 HydrophobicContact CB-CG 3.89Å; L119-F141 HydrophobicContact CB-CZ 3.95Å; L119-F141 HydrophobicContact CD2-CB 3.69Å; L119-F141 HydrophobicContact CD2-CD1 4.35Å; L119-F141 HydrophobicContact CD2-CD2 4.36Å; L119-F141 HydrophobicContact CD2-CG 3.91Å; L119-F141 HydrophobicContact CG-CG 4.48Å
120	S	98.5	Very high	98.1	Very high	51 Å²	51	71.6 Å²	71.6	36%	0.357	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.1	-175.7	-64	0	0	0	0	110.4	N110	N110-S120 PolarHBondContact ND2-OG 2.78Å; N110-S120 PolarHBondContact OD1-OG 3.38Å; N110-S120 VanDerWaalsContact OD1-OG 3.08Å
121	L	98.6	Very high	98.1	Very high	16 Å²	16	69.3 Å²	69.3	8%	0.084	34%	0.335	C	S	.	.			trans	-125.5	159	-178.5	-59	177	0	0	0	110.6	N102 L103 I104 S105 L119 T134 E137 C138	N102-L121 PolarHBondContact O-N 2.83Å; N102-L121 VanDerWaalsContact O-O 3.07Å; L103-L121 CarbonylContact C-O 3.28Å; L103-L121 WeakPolarHBondContact CA-O 3.44Å; L103-L121 HydrophobicContact CD2-CB 4.37Å; L103-L121 HydrophobicContact CD2-CD1 4.29Å; I104-L121 PolarHBondContact N-O 3.49Å; S105-L121 PolarHBondContact N-O 3.49Å; S105-L121 VanDerWaalsContact N-O 3.07Å; S105-L121 PolarHBondContact OG-O 2.9Å; S105-L121 VanDerWaalsContact OG-O 3.08Å; L119-L121 HydrophobicContact CD1-CD2 4.14Å; L119-L121 HydrophobicContact CD1-CG 4.28Å; L119-L121 HydrophobicContact CD2-CD1 3.95Å; L119-L121 HydrophobicContact CD2-CG 4.35Å; L119-L121 HydrophobicContact CG-CD1 4.17Å; L119-L121 HydrophobicContact CG-CD2 4.42Å; L119-L121 HydrophobicContact CG-CG 4.01Å; L121-T134 HydrophobicContact CD1-CG2 3.81Å; L121-E137 HydrophobicContact CD1-CB 4.34Å; L121-E137 WeakPolarHBondContact CD2-OE2 3.37Å; L121-C138 VanDerWaalsContact CD1-SG 3.52Å
122	T	98.3	Very high	98	Very high	49 Å²	49	70 Å²	70	30%	0.301	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-113.3	107.5	173.5	-66.4	0	0	0	0	109.7	S105 N106 Y124 F129	S105-T122 PolarHBondContact OG-OG1 3.44Å; N106-T122 HydrophobicContact CB-CG2 4.13Å; T122-Y124 HydrophobicContact CG2-CD2 4.4Å; T122-Y124 HydrophobicContact CG2-CE1 4.38Å; T122-Y124 HydrophobicContact CG2-CE2 3.75Å; T122-F129 WeakPolarHBondContact O-CE2 3.44Å; T122-F129 WeakPolarHBondContact O-CZ 3.36Å
123	V	98.5	Very high	98	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.012	36%	0.364	C	S	.	.			trans	-116.5	120.4	178.4	-175.5	0	0	0	0	109.6	L103 F129 L131 T134 R162 F198	L103-V123 HydrophobicContact CB-CB 4.24Å; L103-V123 HydrophobicContact CB-CG2 4.04Å; L103-V123 HydrophobicContact CD2-CG2 3.93Å; L103-V123 HydrophobicContact CG-CG2 4.49Å; L103-V123 PolarHBondContact O-N 3.02Å; V123-F129 HydrophobicContact CB-CE1 4.25Å; V123-F129 HydrophobicContact CB-CZ 4.27Å; V123-F129 HydrophobicContact CG1-CD1 3.89Å; V123-F129 HydrophobicContact CG1-CE1 3.69Å; V123-F129 HydrophobicContact CG1-CZ 4.17Å; V123-F129 HydrophobicContact CG2-CE1 4.26Å; V123-F129 HydrophobicContact CG2-CZ 4.25Å; V123-L131 HydrophobicContact CG1-CD2 4.22Å; V123-T134 HydrophobicContact CG2-CG2 3.57Å; V123-R162 HydrophobicContact CB-CG 4.32Å; V123-R162 HydrophobicContact CG1-CB 4.27Å; V123-R162 HydrophobicContact CG1-CG 3.75Å; V123-R162 WeakPolarHBondContact O-CD 3.42Å; V123-R162 PolarHBondContact O-NH1 2.83Å; V123-R162 VanDerWaalsContact O-NH1 3.12Å; V123-F198 HydrophobicContact CG1-CZ 4.06Å
124	Y	98	Very high	98	Very high	120 Å²	120	70.2 Å²	70.2	47%	0.471	34%	0.342	S	S	.	.			trans	-89.2	123.5	175.7	-63.1	-76.7	0	0	0	110.7	T122 N126 F129 F198	T122-Y124 HydrophobicContact CG2-CD2 4.4Å; T122-Y124 HydrophobicContact CG2-CE1 4.38Å; T122-Y124 HydrophobicContact CG2-CE2 3.75Å; Y124-N126 WeakPolarHBondContact CB-ND2 3.49Å; Y124-N126 PolarHBondContact O-N 3.25Å; Y124-F129 AromaticContact CD2-CD2 3.72Å; Y124-F129 HydrophobicContact CD2-CD2 3.72Å; Y124-F129 AromaticContact CD2-CE2 3.87Å; Y124-F129 HydrophobicContact CD2-CE2 3.87Å; Y124-F129 HydrophobicContact CG-CD2 4.29Å; Y124-F129 VanDerWaalsContact O-CB 3.25Å; Y124-F129 WeakPolarHBondContact O-CB 3.46Å; Y124-F198 WeakPolarHBondContact O-CZ 3.36Å
125	D	97.7	Very high	98	Very high	69 Å²	69	64.4 Å²	64.4	37%	0.369	32%	0.315	S	S	.	.			trans	-80.6	70.2	178.1	-162.1	10	0	0	0	111	S161 R162 N195	D125-S161 WeakPolarHBondContact OD1-CB 3.26Å; D125-S161 PolarHBondContact OD1-OG 2.9Å; D125-S161 WeakPolarHBondContact OD2-CB 3.5Å; D125-S161 PolarHBondContact OD2-OG 2.92Å; D125-R162 HydrophobicContact CB-CG 3.91Å; D125-N195 PolarHBondContact OD1-ND2 2.84Å
126	N	97.4	Very high	98	Very high	66 Å²	66	62.1 Å²	62.1	35%	0.353	31%	0.307	S	S	.	.	S	Bend	trans	-139.1	174.9	-176	70.9	35.2	0	0	0	112.1	Y124 K128 F129 N197	Y124-N126 WeakPolarHBondContact CB-ND2 3.49Å; Y124-N126 PolarHBondContact O-N 3.25Å; N126-K128 PolarHBondContact O-N 3.01Å; N126-K128 WeakPolarHBondContact OD1-CA 3.22Å; N126-K128 PolarHBondContact OD1-N 3.37Å; N126-F129 PolarHBondContact OD1-N 3.16Å; N126-N197 PolarHBondContact O-ND2 2.84Å; N126-N197 VanDerWaalsContact O-ND2 3.13Å
127	L	97.1	Very high	98	Very high	117 Å²	117	65.8 Å²	65.8	61%	0.613	33%	0.325	S	S	*	.	S	Bend	trans	-77.9	6.1	-175.7	-56	-176.5	0	0	0	114.4	V196 N197	L127-V196 HydrophobicContact CD2-CG2 3.51Å; L127-N197 HydrophobicContact CB-CB 4.46Å; L127-N197 HydrophobicContact CD2-CB 4.27Å
128	K	97.7	Very high	98.1	Very high	177 Å²	177	59.8 Å²	59.8	77%	0.77	30%	0.297	S	S	*	.	S	Bend	trans	-123.9	-27	-173.3	-62.1	-176.6	-179.7	-179.7	0	114	N126 Q130	N126-K128 PolarHBondContact O-N 3.01Å; N126-K128 WeakPolarHBondContact OD1-CA 3.22Å; N126-K128 PolarHBondContact OD1-N 3.37Å; K128-Q130 PolarHBondContact O-N 3.34Å; K128-Q130 PolarHBondContact O-NE2 3.37Å
129	F	98.2	Very high	98	Very high	38 Å²	38	58 Å²	58	17%	0.167	29%	0.291	C	S	.	.			trans	-61.1	134.4	-175.4	-168.8	-87.9	0	0	0	111.4	T122 V123 Y124 N126 L131 N197 F198 Q201	T122-F129 WeakPolarHBondContact O-CE2 3.44Å; T122-F129 WeakPolarHBondContact O-CZ 3.36Å; V123-F129 HydrophobicContact CB-CE1 4.25Å; V123-F129 HydrophobicContact CB-CZ 4.27Å; V123-F129 HydrophobicContact CG1-CD1 3.89Å; V123-F129 HydrophobicContact CG1-CE1 3.69Å; V123-F129 HydrophobicContact CG1-CZ 4.17Å; V123-F129 HydrophobicContact CG2-CE1 4.26Å; V123-F129 HydrophobicContact CG2-CZ 4.25Å; Y124-F129 AromaticContact CD2-CD2 3.72Å; Y124-F129 HydrophobicContact CD2-CD2 3.72Å; Y124-F129 AromaticContact CD2-CE2 3.87Å; Y124-F129 HydrophobicContact CD2-CE2 3.87Å; Y124-F129 HydrophobicContact CG-CD2 4.29Å; Y124-F129 VanDerWaalsContact O-CB 3.25Å; Y124-F129 WeakPolarHBondContact O-CB 3.46Å; N126-F129 PolarHBondContact OD1-N 3.16Å; F129-L131 HydrophobicContact CD1-CD2 4.11Å; F129-L131 HydrophobicContact CE1-CD2 4.25Å; F129-N197 PolarHBondContact O-ND2 2.86Å; F129-F198 HydrophobicContact CB-CE1 4.11Å; F129-F198 HydrophobicContact CD1-CE1 4.22Å; F129-F198 HydrophobicContact CD1-CZ 4.44Å; F129-Q201 PolarHBondContact O-NE2 2.99Å
130	Q	98.3	Very high	98	Very high	123 Å²	123	61.6 Å²	61.6	58%	0.575	31%	0.31	S	S	*	.			trans	-98.1	124.3	179	-60.8	-57.4	-54.4	0	0	109.5	K128	K128-Q130 PolarHBondContact O-N 3.34Å; K128-Q130 PolarHBondContact O-NE2 3.37Å
131	L	98	Very high	98	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.3	C	S	.	.			trans	-85.1	-13.9	-174.1	-70.9	175.3	0	0	0	113.8	V123 F129 D133 T134 I135 I166 F198	V123-L131 HydrophobicContact CG1-CD2 4.22Å; F129-L131 HydrophobicContact CD1-CD2 4.11Å; F129-L131 HydrophobicContact CE1-CD2 4.25Å; L131-D133 PolarHBondContact O-N 2.69Å; L131-T134 WeakPolarHBondContact O-CB 3.48Å; L131-T134 PolarHBondContact O-N 3.29Å; L131-I135 HydrophobicContact CB-CD1 3.6Å; L131-I135 HydrophobicContact CB-CG1 4.05Å; L131-I135 WeakPolarHBondContact O-CB 3.36Å; L131-I135 WeakPolarHBondContact O-CG1 3.25Å; L131-I135 PolarHBondContact O-N 3.21Å; L131-I166 HydrophobicContact CD2-CD1 4.45Å; L131-F198 HydrophobicContact CD1-CB 3.86Å; L131-F198 HydrophobicContact CD1-CD1 3.6Å; L131-F198 HydrophobicContact CD1-CD2 4.37Å; L131-F198 HydrophobicContact CD1-CE1 4.21Å; L131-F198 HydrophobicContact CD1-CG 3.69Å; L131-F198 HydrophobicContact CD2-CD1 4.07Å; L131-F198 HydrophobicContact CD2-CE1 3.81Å; L131-F198 HydrophobicContact CD2-CE2 4.43Å; L131-F198 HydrophobicContact CD2-CG 4.49Å; L131-F198 HydrophobicContact CD2-CZ 4Å; L131-F198 HydrophobicContact CG-CD1 3.75Å; L131-F198 HydrophobicContact CG-CE1 3.89Å; L131-F198 HydrophobicContact CG-CG 4.3Å
132	N	96.9	Very high	98	Very high	87 Å²	87	59.9 Å²	59.9	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-52.7	-50.9	-167.6	-177.6	65.6	0	0	0	113.6	I135 N136	N132-I135 PolarHBondContact O-N 3.21Å; N132-N136 PolarHBondContact O-N 2.64Å; N132-N136 PolarHBondContact O-ND2 3.42Å
133	D	97.5	Very high	97.9	Very high	108 Å²	108	59.9 Å²	59.9	58%	0.578	29%	0.294	S	S	*	.	H	α-helix	trans	-70.2	-43.5	-176.5	-57.9	-21.3	0	0	0	110.8	L131 I135 N136 E137	L131-D133 PolarHBondContact O-N 2.69Å; D133-I135 VanDerWaalsContact C-N 3.29Å; D133-I135 PolarHBondContact O-N 3.18Å; D133-N136 WeakPolarHBondContact O-CB 3.36Å; D133-N136 PolarHBondContact O-N 3.4Å; D133-N136 VanDerWaalsContact O-N 3.08Å; D133-E137 PolarHBondContact O-N 3.03Å
134	T	98.3	Very high	97.8	Very high	11 Å²	11	63.6 Å²	63.6	7%	0.067	31%	0.314	C	S	.	.	H	α-helix	trans	-56	-43	172.7	-51.4	0	0	0	0	111.8	L103 L121 V123 L131 E137 C138 I166	L103-T134 HydrophobicContact CD2-CG2 4.38Å; L121-T134 HydrophobicContact CD1-CG2 3.81Å; V123-T134 HydrophobicContact CG2-CG2 3.57Å; L131-T134 WeakPolarHBondContact O-CB 3.48Å; L131-T134 PolarHBondContact O-N 3.29Å; T134-E137 PolarHBondContact O-N 3.05Å; T134-C138 VanDerWaalsContact O-CB 3.31Å; T134-C138 WeakPolarHBondContact O-CB 3.45Å; T134-C138 PolarHBondContact O-N 3.1Å; T134-C138 PolarHBondContact O-SG 3.27Å; T134-I166 HydrophobicContact CG2-CD1 3.66Å
135	I	98.3	Very high	97.8	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-44.8	177.5	-70.5	163.6	0	0	0	109.9	L131 N132 D133 C138 C139 I166 A169 L205	L131-I135 HydrophobicContact CB-CD1 3.6Å; L131-I135 HydrophobicContact CB-CG1 4.05Å; L131-I135 WeakPolarHBondContact O-CB 3.36Å; L131-I135 WeakPolarHBondContact O-CG1 3.25Å; L131-I135 PolarHBondContact O-N 3.21Å; N132-I135 PolarHBondContact O-N 3.21Å; D133-I135 VanDerWaalsContact C-N 3.29Å; D133-I135 PolarHBondContact O-N 3.18Å; I135-C138 PolarHBondContact O-N 3.01Å; I135-C139 VanDerWaalsContact O-CB 3.24Å; I135-C139 WeakPolarHBondContact O-CB 3.42Å; I135-C139 PolarHBondContact O-N 3Å; I135-C139 PolarHBondContact O-SG 3.46Å; I135-I166 HydrophobicContact CG1-CD1 4.26Å; I135-A169 HydrophobicContact CB-CB 4.4Å; I135-A169 HydrophobicContact CD1-CB 3.68Å; I135-A169 HydrophobicContact CG1-CB 3.64Å; I135-A169 HydrophobicContact CG2-CB 3.85Å; I135-L205 HydrophobicContact CD1-CD1 4Å
136	N	97.9	Very high	97.7	Very high	52 Å²	52	57 Å²	57	28%	0.278	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-48.6	178.4	-69.8	-38.2	0	0	0	111.4	N132 D133 C139 N140 R173	N132-N136 PolarHBondContact O-N 2.64Å; N132-N136 PolarHBondContact O-ND2 3.42Å; D133-N136 WeakPolarHBondContact O-CB 3.36Å; D133-N136 PolarHBondContact O-N 3.4Å; D133-N136 VanDerWaalsContact O-N 3.08Å; N136-C139 PolarHBondContact O-N 2.83Å; N136-N140 VanDerWaalsContact O-CG 3.26Å; N136-N140 PolarHBondContact O-N 2.86Å; N136-N140 PolarHBondContact O-ND2 3.26Å; N136-R173 PolarHBondContact OD1-NH1 3.44Å; N136-R173 PolarHBondContact OD1-NH2 3.22Å
137	E	98.5	Very high	97.6	Very high	91 Å²	91	60.6 Å²	60.6	43%	0.425	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-47.9	179	-68.6	-178.4	-100.1	0	0	111.9	L121 D133 T134 C139 N140 F141	L121-E137 HydrophobicContact CD1-CB 4.34Å; L121-E137 WeakPolarHBondContact CD2-OE2 3.37Å; D133-E137 PolarHBondContact O-N 3.03Å; T134-E137 PolarHBondContact O-N 3.05Å; E137-C139 PolarHBondContact O-N 2.87Å; E137-N140 PolarHBondContact O-N 2.84Å; E137-F141 PolarHBondContact O-N 3.41Å
138	C	98.6	Very high	97.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-39.7	177.6	-69.1	0	0	0	0	112.4	I101 L121 T134 I135 F141 L142 I166	I101-C138 HydrophobicContact CD1-CB 4.23Å; L121-C138 VanDerWaalsContact CD1-SG 3.52Å; T134-C138 VanDerWaalsContact O-CB 3.31Å; T134-C138 WeakPolarHBondContact O-CB 3.45Å; T134-C138 PolarHBondContact O-N 3.1Å; T134-C138 PolarHBondContact O-SG 3.27Å; I135-C138 PolarHBondContact O-N 3.01Å; C138-F141 PolarHBondContact O-N 3.23Å; C138-L142 WeakPolarHBondContact O-CB 3.36Å; C138-L142 VanDerWaalsContact O-CG 3.25Å; C138-L142 WeakPolarHBondContact O-CG 3.43Å; C138-L142 PolarHBondContact O-N 2.97Å; C138-I166 HydrophobicContact CB-CG2 3.4Å; C138-I166 VanDerWaalsContact CB-CG2 3.4Å
139	C	97.7	Very high	97.1	Very high	7 Å²	7	60.8 Å²	60.8	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-43.6	177.2	-71.7	0	0	0	0	111.3	I135 N136 E137 L142 N143 Y170	I135-C139 VanDerWaalsContact O-CB 3.24Å; I135-C139 WeakPolarHBondContact O-CB 3.42Å; I135-C139 PolarHBondContact O-N 3Å; I135-C139 PolarHBondContact O-SG 3.46Å; N136-C139 PolarHBondContact O-N 2.83Å; E137-C139 PolarHBondContact O-N 2.87Å; C139-L142 PolarHBondContact O-N 2.91Å; C139-N143 WeakPolarHBondContact O-CB 3.36Å; C139-N143 PolarHBondContact O-N 2.77Å; C139-N143 PolarHBondContact O-ND2 2.93Å; C139-Y170 HydrophobicContact CB-CD2 4.17Å
140	N	97.7	Very high	97	Very high	105 Å²	105	59.5 Å²	59.5	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-61.3	-45.7	176.6	-71.1	-17.6	0	0	0	111.2	N136 E137 N143 N144	N136-N140 VanDerWaalsContact O-CG 3.26Å; N136-N140 PolarHBondContact O-N 2.86Å; N136-N140 PolarHBondContact O-ND2 3.26Å; E137-N140 PolarHBondContact O-N 2.84Å; N140-N143 PolarHBondContact O-N 3.46Å; N140-N144 PolarHBondContact O-N 2.91Å; N140-N144 VanDerWaalsContact O-N 3.16Å
141	F	98.5	Very high	97	Very high	31 Å²	31	54.1 Å²	54.1	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-46	177.8	-172.7	-97.5	0	0	0	112.3	H99 I101 L119 E137 C138 N143 N144 V145	H99-F141 HydrophobicContact CB-CE1 3.77Å; H99-F141 HydrophobicContact CB-CZ 3.89Å; H99-F141 AromaticContact CD2-CZ 3.71Å; I101-F141 HydrophobicContact CD1-CD1 3.79Å; I101-F141 HydrophobicContact CD1-CE1 4.36Å; I101-F141 HydrophobicContact CG1-CD1 3.6Å; I101-F141 HydrophobicContact CG1-CE1 3.69Å; L119-F141 HydrophobicContact CB-CD1 4.09Å; L119-F141 HydrophobicContact CB-CD2 3.75Å; L119-F141 HydrophobicContact CB-CE1 4.1Å; L119-F141 HydrophobicContact CB-CE2 3.79Å; L119-F141 HydrophobicContact CB-CG 3.89Å; L119-F141 HydrophobicContact CB-CZ 3.95Å; L119-F141 HydrophobicContact CD2-CB 3.69Å; L119-F141 HydrophobicContact CD2-CD1 4.35Å; L119-F141 HydrophobicContact CD2-CD2 4.36Å; L119-F141 HydrophobicContact CD2-CG 3.91Å; L119-F141 HydrophobicContact CG-CG 4.48Å; E137-F141 PolarHBondContact O-N 3.41Å; C138-F141 PolarHBondContact O-N 3.23Å; F141-N143 VanDerWaalsContact C-N 3.3Å; F141-N143 PolarHBondContact O-N 2.84Å; F141-N144 WeakPolarHBondContact O-CB 3.12Å; F141-N144 PolarHBondContact O-N 3.35Å; F141-N144 VanDerWaalsContact O-N 3.1Å; F141-V145 HydrophobicContact CD1-CG2 4.24Å; F141-V145 HydrophobicContact CE1-CG2 4.19Å; F141-V145 WeakPolarHBondContact O-CG2 3.18Å; F141-V145 PolarHBondContact O-N 3.37Å
142	L	98.5	Very high	97	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-34.6	177	-72.4	170.3	0	0	0	112.6	F76 I78 I101 C138 C139 N144 V145 K146 C152 I154 Y170	F76-L142 HydrophobicContact CE2-CD2 4.01Å; F76-L142 HydrophobicContact CZ-CB 4.36Å; F76-L142 HydrophobicContact CZ-CD2 4.37Å; I78-L142 HydrophobicContact CD1-CD1 4.32Å; I78-L142 HydrophobicContact CD1-CD2 4.22Å; I78-L142 HydrophobicContact CG1-CD2 4.28Å; I101-L142 HydrophobicContact CD1-CD2 4.21Å; I101-L142 HydrophobicContact CD1-CG 4.11Å; C138-L142 WeakPolarHBondContact O-CB 3.36Å; C138-L142 VanDerWaalsContact O-CG 3.25Å; C138-L142 WeakPolarHBondContact O-CG 3.43Å; C138-L142 PolarHBondContact O-N 2.97Å; C139-L142 PolarHBondContact O-N 2.91Å; L142-N144 VanDerWaalsContact C-N 3.31Å; L142-N144 PolarHBondContact O-N 3.47Å; L142-V145 PolarHBondContact O-N 2.9Å; L142-K146 WeakPolarHBondContact O-CB 3.07Å; L142-K146 PolarHBondContact O-N 3.18Å; L142-C152 HydrophobicContact CD2-CB 3.79Å; L142-I154 HydrophobicContact CD1-CD1 4.27Å; L142-I154 HydrophobicContact CD2-CD1 4.24Å; L142-Y170 HydrophobicContact CB-CD2 3.96Å; L142-Y170 HydrophobicContact CB-CE1 4.43Å; L142-Y170 HydrophobicContact CB-CE2 3.55Å; L142-Y170 HydrophobicContact CD1-CD1 4.08Å; L142-Y170 HydrophobicContact CD1-CD2 3.65Å; L142-Y170 HydrophobicContact CD1-CE1 4.5Å; L142-Y170 HydrophobicContact CD1-CE2 4.12Å; L142-Y170 HydrophobicContact CD1-CG 3.64Å; L142-Y170 HydrophobicContact CG-CD2 4.47Å; L142-Y170 HydrophobicContact CG-CE2 4.49Å
143	N	97	Very high	97.1	Very high	49 Å²	49	50 Å²	50	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-34.8	173.6	-73.6	-21	0	0	0	112.2	C139 N140 F141 K146 Q147 Y170	C139-N143 WeakPolarHBondContact O-CB 3.36Å; C139-N143 PolarHBondContact O-N 2.77Å; C139-N143 PolarHBondContact O-ND2 2.93Å; N140-N143 PolarHBondContact O-N 3.46Å; F141-N143 VanDerWaalsContact C-N 3.3Å; F141-N143 PolarHBondContact O-N 2.84Å; N143-K146 WeakPolarHBondContact O-CB 3.12Å; N143-K146 PolarHBondContact O-N 2.96Å; N143-Q147 WeakPolarHBondContact O-CG 3.4Å; N143-Q147 PolarHBondContact O-N 3.14Å; N143-Q147 VanDerWaalsContact O-N 3.14Å; N143-Y170 WeakPolarHBondContact OD1-CE2 3.17Å; N143-Y170 PolarHBondContact OD1-OH 2.76Å
144	N	96.2	Very high	97.2	Very high	80 Å²	80	44.9 Å²	44.9	43%	0.428	22%	0.22	S	C	.	.	H	α-helix	trans	-65.8	-45.5	170.8	-65.9	-18.4	0	0	0	110.8	N140 F141 L142 K146 Q147 Y148	N140-N144 PolarHBondContact O-N 2.91Å; N140-N144 VanDerWaalsContact O-N 3.16Å; F141-N144 WeakPolarHBondContact O-CB 3.12Å; F141-N144 PolarHBondContact O-N 3.35Å; F141-N144 VanDerWaalsContact O-N 3.1Å; L142-N144 VanDerWaalsContact C-N 3.31Å; L142-N144 PolarHBondContact O-N 3.47Å; N144-K146 PolarHBondContact O-N 3.31Å; N144-Q147 WeakPolarHBondContact O-CB 3.24Å; N144-Q147 PolarHBondContact O-N 3.11Å; N144-Y148 WeakPolarHBondContact O-CD2 3.45Å; N144-Y148 PolarHBondContact O-N 2.82Å
145	V	97.4	Very high	97.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.5	-41.7	176.2	-171.8	0	0	0	0	111.5	F76 H99 F141 L142 Q147 Y148 N149 G150 C152	F76-V145 HydrophobicContact CD2-CB 4.27Å; F76-V145 HydrophobicContact CD2-CG1 3.91Å; F76-V145 HydrophobicContact CE2-CB 4.36Å; F76-V145 HydrophobicContact CE2-CG1 4.39Å; H99-V145 HydrophobicContact CB-CG1 4.49Å; H99-V145 HydrophobicContact CB-CG2 3.66Å; H99-V145 VanDerWaalsContact CG-CG2 3.45Å; F141-V145 HydrophobicContact CD1-CG2 4.24Å; F141-V145 HydrophobicContact CE1-CG2 4.19Å; F141-V145 WeakPolarHBondContact O-CG2 3.18Å; F141-V145 PolarHBondContact O-N 3.37Å; L142-V145 PolarHBondContact O-N 2.9Å; V145-Q147 VanDerWaalsContact C-N 3.33Å; V145-Q147 PolarHBondContact O-N 3.36Å; V145-Y148 PolarHBondContact O-N 3.03Å; V145-N149 PolarHBondContact O-N 3.27Å; V145-G150 PolarHBondContact O-N 2.64Å; V145-C152 HydrophobicContact CB-CB 4.48Å; V145-C152 HydrophobicContact CG1-CB 4.07Å; V145-C152 HydrophobicContact CG2-CB 4.13Å
146	K	96	Very high	97.2	Very high	51 Å²	51	44.2 Å²	44.2	22%	0.222	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-42.3	175.5	171.2	172.2	175.3	157.2	0	112.3	E75 F76 L142 N143 N144 Y148 N149 Y175	E75-K146 HydrophobicContact CB-CD 4.44Å; E75-K146 HydrophobicContact CB-CG 3.89Å; E75-K146 HydrophobicContact CG-CG 4.38Å; E75-K146 WeakPolarHBondContact OE1-CE 3.22Å; E75-K146 IonicContact OE1-NZ 2.65Å; E75-K146 PolarHBondContact OE1-NZ 2.88Å; E75-K146 IonicContact OE2-NZ 3.65Å; F76-K146 HydrophobicContact CD1-CB 3.76Å; F76-K146 HydrophobicContact CD1-CD 4.48Å; F76-K146 HydrophobicContact CD1-CG 4.09Å; F76-K146 HydrophobicContact CE1-CB 3.87Å; F76-K146 HydrophobicContact CE1-CD 4.37Å; F76-K146 HydrophobicContact CE1-CG 4.35Å; F76-K146 HydrophobicContact CG-CB 4.22Å; F76-K146 HydrophobicContact CZ-CB 4.42Å; L142-K146 WeakPolarHBondContact O-CB 3.07Å; L142-K146 PolarHBondContact O-N 3.18Å; N143-K146 WeakPolarHBondContact O-CB 3.12Å; N143-K146 PolarHBondContact O-N 2.96Å; N144-K146 PolarHBondContact O-N 3.31Å; K146-Y148 VanDerWaalsContact C-N 3.26Å; K146-Y148 PolarHBondContact O-N 3.19Å; K146-N149 PolarHBondContact O-N 2.82Å; K146-N149 PolarHBondContact O-OD1 2.86Å; K146-Y175 PolarHBondContact NZ-OH 2.81Å
147	Q	94.5	Very high	97.1	Very high	142 Å²	142	45.7 Å²	45.7	66%	0.664	22%	0.222	S	C	*	.	H	α-helix	trans	-65.1	-27.8	179.1	-72.8	176.3	-7.2	0	0	113.5	N143 N144 V145	N143-Q147 WeakPolarHBondContact O-CG 3.4Å; N143-Q147 PolarHBondContact O-N 3.14Å; N143-Q147 VanDerWaalsContact O-N 3.14Å; N144-Q147 WeakPolarHBondContact O-CB 3.24Å; N144-Q147 PolarHBondContact O-N 3.11Å; V145-Q147 VanDerWaalsContact C-N 3.33Å; V145-Q147 PolarHBondContact O-N 3.36Å
148	Y	92.3	Very high	97.1	Very high	175 Å²	175	43.3 Å²	43.3	69%	0.686	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	8	178.3	-65	-71.4	0	0	0	113.7	N144 V145 K146 G150	N144-Y148 WeakPolarHBondContact O-CD2 3.45Å; N144-Y148 PolarHBondContact O-N 2.82Å; V145-Y148 PolarHBondContact O-N 3.03Å; K146-Y148 VanDerWaalsContact C-N 3.26Å; K146-Y148 PolarHBondContact O-N 3.19Å; Y148-G150 PolarHBondContact O-N 3.37Å
149	N	92.8	Very high	97	Very high	123 Å²	123	43.3 Å²	43.3	66%	0.658	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	39.2	-171.9	-62.5	6.7	0	0	0	112.4	E75 V145 K146	E75-N149 WeakPolarHBondContact O-CA 3.46Å; V145-N149 PolarHBondContact O-N 3.27Å; K146-N149 PolarHBondContact O-N 2.82Å; K146-N149 PolarHBondContact O-OD1 2.86Å
150	G	95.5	Very high	97	Very high	10 Å²	10	46 Å²	46	10%	0.103	23%	0.232	C	C	.	.			trans	-81.5	-176.1	-172.6	0	0	0	0	0	114.4	F76 T77 V145 Y148	F76-G150 WeakPolarHBondContact CB-O 3.39Å; T77-G150 PolarHBondContact N-O 3.28Å; V145-G150 PolarHBondContact O-N 2.64Å; Y148-G150 PolarHBondContact O-N 3.37Å
151	C	98.3	Very high	97	Very high	10 Å²	10	41.2 Å²	41.2	7%	0.068	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.3	168.3	-176.5	0	0	0	0	108.8	T77 L79 N95 K96 T98 H99	T77-C151 WeakPolarHBondContact O-CA 3.35Å; L79-C151 WeakPolarHBondContact CD1-SG 3.1Å; N95-C151 PolarHBondContact O-SG 2.71Å; K96-C151 WeakPolarHBondContact O-CB 3.37Å; T98-C151 PolarHBondContact N-O 2.77Å; T98-C151 PolarHBondContact OG1-N 3.43Å; T98-C151 PolarHBondContact OG1-O 3.07Å; H99-C151 PolarHBondContact N-O 3.23Å; H99-C151 VanDerWaalsContact N-O 3.14Å
152	C	98.7	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127	178.3	-173	0	0	0	0	110.4	T77 I78 L79 H99 L142 V145	T77-C152 PolarHBondContact O-N 3.2Å; I78-C152 CarbonylContact C-O 2.95Å; I78-C152 WeakPolarHBondContact CA-O 3.43Å; L79-C152 PolarHBondContact N-O 3.39Å; H99-C152 HydrophobicContact CB-CB 4.38Å; H99-C152 CarbonylContact O-C 3.54Å; H99-C152 VanDerWaalsContact O-CA 3.29Å; H99-C152 WeakPolarHBondContact O-CA 3.24Å; L142-C152 HydrophobicContact CD2-CB 3.79Å; V145-C152 HydrophobicContact CB-CB 4.48Å; V145-C152 HydrophobicContact CG1-CB 4.07Å; V145-C152 HydrophobicContact CG2-CB 4.13Å
153	F	98.8	Very high	97.1	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.1	169.6	177.6	-109.1	0	0	0	110.7	L79 F80 G81 V85 A86 L92 V97 H99 I100 I101 H155	L79-F153 HydrophobicContact CB-CB 4.39Å; L79-F153 HydrophobicContact CB-CD2 3.8Å; L79-F153 CarbonylContact O-C 3.49Å; L79-F153 WeakPolarHBondContact O-CA 3.48Å; F80-F153 VanDerWaalsContact C-CE2 3.44Å; G81-F153 VanDerWaalsContact N-CE2 3.34Å; V85-F153 HydrophobicContact CB-CE1 4.3Å; V85-F153 HydrophobicContact CB-CE2 4.14Å; V85-F153 HydrophobicContact CB-CZ 3.59Å; V85-F153 HydrophobicContact CG1-CD2 4.33Å; V85-F153 HydrophobicContact CG1-CE1 3.99Å; V85-F153 HydrophobicContact CG1-CE2 3.55Å; V85-F153 HydrophobicContact CG1-CZ 3.37Å; A86-F153 HydrophobicContact CB-CE1 3.96Å; L92-F153 HydrophobicContact CD2-CB 4.19Å; L92-F153 HydrophobicContact CD2-CD1 3.69Å; L92-F153 HydrophobicContact CD2-CE1 4.21Å; L92-F153 HydrophobicContact CD2-CG 3.9Å; V97-F153 HydrophobicContact CG1-CB 3.84Å; V97-F153 HydrophobicContact CG2-CB 3.92Å; H99-F153 PolarHBondContact O-N 2.64Å; I100-F153 CarbonylContact C-O 3.6Å; I100-F153 VanDerWaalsContact CA-O 3.22Å; I100-F153 WeakPolarHBondContact CA-O 3.39Å; I100-F153 HydrophobicContact CG1-CB 4.34Å; I100-F153 HydrophobicContact CG2-CD1 4.31Å; I101-F153 PolarHBondContact N-O 2.84Å; F153-H155 HydrophobicContact CD1-CB 4.4Å; F153-H155 HydrophobicContact CE1-CB 3.58Å; F153-H155 HydrophobicContact CZ-CB 3.85Å
154	I	98.8	Very high	97.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.6	-179.7	-50.6	-177.8	0	0	0	108.4	I78 L79 F80 G81 I101 L103 L142 A163 I166 I167	I78-I154 HydrophobicContact CG2-CD1 3.77Å; I78-I154 HydrophobicContact CG2-CG1 4.16Å; L79-I154 PolarHBondContact O-N 3.31Å; F80-I154 WeakPolarHBondContact CA-O 3.43Å; F80-I154 HydrophobicContact CB-CB 4.43Å; F80-I154 WeakPolarHBondContact CB-O 3.19Å; G81-I154 PolarHBondContact N-O 3.11Å; I101-I154 HydrophobicContact CB-CB 4.38Å; I101-I154 HydrophobicContact CB-CG1 4.15Å; I101-I154 HydrophobicContact CB-CG2 4.07Å; I101-I154 HydrophobicContact CD1-CD1 3.98Å; I101-I154 HydrophobicContact CD1-CG1 4.01Å; I101-I154 HydrophobicContact CG1-CG1 4.27Å; I101-I154 HydrophobicContact CG2-CG2 4.29Å; L103-I154 HydrophobicContact CD1-CG2 3.95Å; L103-I154 HydrophobicContact CG-CG2 4.34Å; L142-I154 HydrophobicContact CD1-CD1 4.27Å; L142-I154 HydrophobicContact CD2-CD1 4.24Å; I154-A163 HydrophobicContact CB-CB 4.38Å; I154-A163 HydrophobicContact CG2-CB 3.75Å; I154-I166 HydrophobicContact CD1-CG2 4.4Å; I154-I167 HydrophobicContact CD1-CD1 4.28Å; I154-I167 HydrophobicContact CD1-CG1 3.76Å
155	H	98.7	Very high	97.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	161	177.1	76.7	95.1	0	0	0	112.8	G81 A86 I101 N102 L103 F153	G81-H155 WeakPolarHBondContact O-CB 3.33Å; A86-H155 HydrophobicContact CB-CB 4.47Å; I101-H155 PolarHBondContact O-N 3.29Å; N102-H155 WeakPolarHBondContact CB-NE2 3.31Å; N102-H155 VanDerWaalsContact CG-CE1 3.44Å; N102-H155 PolarHBondContact OD1-CE1 2.8Å; N102-H155 VanDerWaalsContact OD1-CE1 3.3Å; L103-H155 WeakPolarHBondContact CB-O 3.06Å; L103-H155 WeakPolarHBondContact CG-O 3.42Å; L103-H155 PolarHBondContact N-O 3.33Å; F153-H155 HydrophobicContact CD1-CB 4.4Å; F153-H155 HydrophobicContact CE1-CB 3.58Å; F153-H155 HydrophobicContact CZ-CB 3.85Å
156	C	98	Very high	97.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	17%	0.172	C	C	.	.			trans	-129.6	-132.8	161.9	61.7	0	0	0	0	107.4	L103 I104 G159 R162	L103-C156 HydrophobicContact CB-CB 4.2Å; I104-C156 VanDerWaalsContact CD1-C 3.43Å; I104-C156 WeakPolarHBondContact CD1-O 3.46Å; I104-C156 HydrophobicContact CG2-CB 4.13Å; C156-G159 PolarHBondContact SG-N 2.92Å; C156-R162 HydrophobicContact CB-CB 3.76Å; C156-R162 HydrophobicContact CB-CG 4.48Å
157	E	97.1	Very high	97.4	Very high	82 Å²	82	32.7 Å²	32.7	38%	0.383	16%	0.162	S	C	.	.	S	Bend	trans	-79.4	-67.4	172	-168.4	65.5	-154.2	0	0	110.4	S82 V83 I104 R162	S82-E157 CarbonylContact C-O 3.51Å; S82-E157 VanDerWaalsContact CA-O 3.24Å; S82-E157 WeakPolarHBondContact CA-O 3.33Å; S82-E157 WeakPolarHBondContact CB-O 3.19Å; V83-E157 PolarHBondContact N-O 3.37Å; I104-E157 HydrophobicContact CD1-CB 4.19Å; I104-E157 WeakPolarHBondContact CD1-OE2 3.36Å; E157-R162 VanDerWaalsContact CB-NH2 3.3Å
158	A	96.8	Very high	97.6	Very high	42 Å²	42	25.9 Å²	25.9	35%	0.347	13%	0.13	S	C	.	.	S	Bend	trans	-96.8	-11.4	-176.4	0	0	0	0	0	114.2	I160 R190	A158-I160 VanDerWaalsContact C-N 3.29Å; A158-I160 HydrophobicContact CB-CB 4.43Å; A158-I160 HydrophobicContact CB-CD1 3.89Å; A158-I160 HydrophobicContact CB-CG1 4.06Å; A158-I160 PolarHBondContact O-N 3.02Å; A158-R190 PolarHBondContact O-NH2 3.45Å
159	G	97.7	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	67.9	23.7	-175.4	0	0	0	0	0	115	G81 C156 P164	G81-G159 WeakPolarHBondContact O-CA 3.28Å; C156-G159 PolarHBondContact SG-N 2.92Å; G159-P164 WeakPolarHBondContact O-CG 3.37Å
160	I	97.9	Very high	98.2	Very high	64 Å²	64	11.7 Å²	11.7	33%	0.328	7%	0.066	S	C	.	.	S	Bend	trans	-106.7	-35.8	-172.3	-67.5	173.5	0	0	0	113.3	A158 P164 I192 C193	A158-I160 VanDerWaalsContact C-N 3.29Å; A158-I160 HydrophobicContact CB-CB 4.43Å; A158-I160 HydrophobicContact CB-CD1 3.89Å; A158-I160 HydrophobicContact CB-CG1 4.06Å; A158-I160 PolarHBondContact O-N 3.02Å; I160-P164 WeakPolarHBondContact O-CG 3.42Å; I160-I192 WeakPolarHBondContact O-CB 3.37Å; I160-C193 HydrophobicContact CG2-CB 3.63Å; I160-C193 VanDerWaalsContact CG2-N 3.27Å; I160-C193 CarbonylContact O-C 3.52Å; I160-C193 PolarHBondContact O-N 2.84Å
161	S	98.4	Very high	98.3	Very high	4 Å²	4	11.2 Å²	11.2	3%	0.028	6%	0.061	C	C	.	.	S	Bend	trans	-117.2	-67.2	-174.1	175	0	0	0	0	112.2	D125 S165 C193 N195	D125-S161 WeakPolarHBondContact OD1-CB 3.26Å; D125-S161 PolarHBondContact OD1-OG 2.9Å; D125-S161 WeakPolarHBondContact OD2-CB 3.5Å; D125-S161 PolarHBondContact OD2-OG 2.92Å; S161-S165 WeakPolarHBondContact O-CB 3.28Å; S161-S165 PolarHBondContact O-N 2.81Å; S161-S165 PolarHBondContact O-OG 3.07Å; S161-C193 WeakPolarHBondContact CB-O 3.25Å; S161-N195 PolarHBondContact OG-N 2.96Å
162	R	98.6	Very high	98.3	Very high	29 Å²	29	11 Å²	11	11%	0.109	6%	0.059	C	C	.	.	H	α-helix	trans	-59.2	-57.4	-176.1	-67.1	166.9	-81.5	-164	-3.1	113.7	L103 V123 D125 C156 E157 S165 I166 F198	L103-R162 HydrophobicContact CD1-CB 4.02Å; V123-R162 HydrophobicContact CB-CG 4.32Å; V123-R162 HydrophobicContact CG1-CB 4.27Å; V123-R162 HydrophobicContact CG1-CG 3.75Å; V123-R162 WeakPolarHBondContact O-CD 3.42Å; V123-R162 PolarHBondContact O-NH1 2.83Å; V123-R162 VanDerWaalsContact O-NH1 3.12Å; D125-R162 HydrophobicContact CB-CG 3.91Å; C156-R162 HydrophobicContact CB-CB 3.76Å; C156-R162 HydrophobicContact CB-CG 4.48Å; E157-R162 VanDerWaalsContact CB-NH2 3.3Å; R162-S165 WeakPolarHBondContact O-CB 3.39Å; R162-S165 PolarHBondContact O-N 3.47Å; R162-I166 PolarHBondContact O-N 3.02Å; R162-F198 HydrophobicContact CG-CE2 3.79Å; R162-F198 HydrophobicContact CG-CZ 4.35Å
163	A	98.7	Very high	98.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.2	-48.4	-177.7	0	0	0	0	0	112.7	F80 L103 I154 S165 I166 I167	F80-A163 HydrophobicContact CB-CB 4.35Å; L103-A163 HydrophobicContact CD1-CB 4.1Å; I154-A163 HydrophobicContact CB-CB 4.38Å; I154-A163 HydrophobicContact CG2-CB 3.75Å; A163-S165 VanDerWaalsContact C-N 3.28Å; A163-S165 PolarHBondContact O-N 3.12Å; A163-I166 PolarHBondContact O-N 3.19Å; A163-I167 PolarHBondContact O-N 3.36Å
164	P	98.6	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.1	-38.1	172.1	-32	40.1	0	0	0	114.5	F80 G159 I160 I166 I167 I168 V186 I192 I194	F80-P164 HydrophobicContact CD2-CG 3.89Å; F80-P164 HydrophobicContact CE2-CG 3.7Å; G159-P164 WeakPolarHBondContact O-CG 3.37Å; I160-P164 WeakPolarHBondContact O-CG 3.42Å; P164-I166 VanDerWaalsContact C-N 3.31Å; P164-I166 PolarHBondContact O-N 3.08Å; P164-I167 PolarHBondContact O-N 2.97Å; P164-I168 VanDerWaalsContact O-CG1 3.26Å; P164-I168 WeakPolarHBondContact O-CG1 3.32Å; P164-I168 PolarHBondContact O-N 3.04Å; P164-V186 HydrophobicContact CB-CG1 3.97Å; P164-I192 HydrophobicContact CB-CB 4.06Å; P164-I192 HydrophobicContact CB-CD1 3.94Å; P164-I192 HydrophobicContact CB-CG2 3.74Å; P164-I192 HydrophobicContact CG-CB 4Å; P164-I192 HydrophobicContact CG-CG2 3.44Å; P164-I192 VanDerWaalsContact CG-CG2 3.44Å; P164-I194 HydrophobicContact CB-CG2 4.24Å
165	S	98.7	Very high	98	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.4	-39.8	179.5	-61.5	0	0	0	0	112.1	S161 R162 A163 I168 A169 I194 F198 L202	S161-S165 WeakPolarHBondContact O-CB 3.28Å; S161-S165 PolarHBondContact O-N 2.81Å; S161-S165 PolarHBondContact O-OG 3.07Å; R162-S165 WeakPolarHBondContact O-CB 3.39Å; R162-S165 PolarHBondContact O-N 3.47Å; A163-S165 VanDerWaalsContact C-N 3.28Å; A163-S165 PolarHBondContact O-N 3.12Å; S165-I168 PolarHBondContact O-N 3.08Å; S165-A169 WeakPolarHBondContact O-CB 3.45Å; S165-A169 PolarHBondContact O-N 2.86Å; S165-I194 WeakPolarHBondContact OG-CG2 3.35Å; S165-F198 WeakPolarHBondContact OG-CD2 3.28Å; S165-L202 WeakPolarHBondContact O-CD2 3.41Å
166	I	98.7	Very high	97.9	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-42	176.3	-61.3	-52.5	0	0	0	111.4	L103 L131 T134 I135 C138 I154 R162 A163 P164 A169 Y170	L103-I166 HydrophobicContact CD1-CG1 3.81Å; L103-I166 HydrophobicContact CD2-CG1 4.18Å; L131-I166 HydrophobicContact CD2-CD1 4.45Å; T134-I166 HydrophobicContact CG2-CD1 3.66Å; I135-I166 HydrophobicContact CG1-CD1 4.26Å; C138-I166 HydrophobicContact CB-CG2 3.4Å; C138-I166 VanDerWaalsContact CB-CG2 3.4Å; I154-I166 HydrophobicContact CD1-CG2 4.4Å; R162-I166 PolarHBondContact O-N 3.02Å; A163-I166 PolarHBondContact O-N 3.19Å; P164-I166 VanDerWaalsContact C-N 3.31Å; P164-I166 PolarHBondContact O-N 3.08Å; I166-A169 PolarHBondContact O-N 2.88Å; I166-Y170 WeakPolarHBondContact O-CB 3.17Å; I166-Y170 PolarHBondContact O-N 2.94Å
167	I	98.7	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-46.5	177.8	-61.1	177.4	0	0	0	110.5	I71 I78 F80 I154 A163 P164 A169 Y170 L171 V186	I71-I167 HydrophobicContact CG1-CG2 4.1Å; I78-I167 HydrophobicContact CG2-CD1 3.69Å; I78-I167 HydrophobicContact CG2-CG1 3.91Å; F80-I167 HydrophobicContact CB-CD1 3.67Å; F80-I167 HydrophobicContact CD1-CD1 3.36Å; F80-I167 HydrophobicContact CE1-CD1 4.13Å; F80-I167 HydrophobicContact CG-CD1 3.64Å; I154-I167 HydrophobicContact CD1-CD1 4.28Å; I154-I167 HydrophobicContact CD1-CG1 3.76Å; A163-I167 PolarHBondContact O-N 3.36Å; P164-I167 PolarHBondContact O-N 2.97Å; I167-A169 VanDerWaalsContact C-N 3.32Å; I167-A169 PolarHBondContact O-N 3.18Å; I167-Y170 PolarHBondContact O-N 3.22Å; I167-L171 HydrophobicContact CG2-CD1 4.06Å; I167-L171 HydrophobicContact CG2-CG 4.37Å; I167-L171 VanDerWaalsContact O-CG 3.31Å; I167-L171 WeakPolarHBondContact O-CG 3.43Å; I167-L171 PolarHBondContact O-N 3.33Å; I167-V186 HydrophobicContact CB-CG2 4.24Å; I167-V186 HydrophobicContact CG2-CG2 3.6Å
168	I	98.7	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-46.6	177.1	-68.2	163.9	0	0	0	110.2	P164 S165 Y170 L171 I172 Y179 A182 Y183 V186 I192 I194 L202	P164-I168 VanDerWaalsContact O-CG1 3.26Å; P164-I168 WeakPolarHBondContact O-CG1 3.32Å; P164-I168 PolarHBondContact O-N 3.04Å; S165-I168 PolarHBondContact O-N 3.08Å; I168-Y170 VanDerWaalsContact C-N 3.32Å; I168-Y170 PolarHBondContact O-N 2.86Å; I168-L171 PolarHBondContact O-N 2.82Å; I168-I172 HydrophobicContact CG2-CD1 3.75Å; I168-I172 HydrophobicContact CG2-CG1 4.45Å; I168-I172 VanDerWaalsContact O-CG1 3.3Å; I168-I172 WeakPolarHBondContact O-CG1 3.39Å; I168-I172 PolarHBondContact O-N 3.02Å; I168-Y179 HydrophobicContact CG2-CD2 4.14Å; I168-Y179 HydrophobicContact CG2-CE2 4.28Å; I168-A182 HydrophobicContact CG2-CB 3.97Å; I168-Y183 HydrophobicContact CD1-CD2 3.8Å; I168-Y183 HydrophobicContact CD1-CG 4.46Å; I168-V186 HydrophobicContact CG1-CB 4.29Å; I168-V186 HydrophobicContact CG1-CG2 3.95Å; I168-I192 HydrophobicContact CD1-CD1 3.92Å; I168-I194 HydrophobicContact CD1-CG2 4.48Å; I168-L202 HydrophobicContact CB-CD1 4.17Å; I168-L202 HydrophobicContact CD1-CD1 4.47Å; I168-L202 HydrophobicContact CG2-CB 4.49Å; I168-L202 HydrophobicContact CG2-CD1 3.93Å; I168-L202 HydrophobicContact CG2-CD2 4.4Å
169	A	98.6	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.7	-43.3	176.9	0	0	0	0	0	112.4	I135 S165 I166 I167 I172 R173 L202 L205	I135-A169 HydrophobicContact CB-CB 4.4Å; I135-A169 HydrophobicContact CD1-CB 3.68Å; I135-A169 HydrophobicContact CG1-CB 3.64Å; I135-A169 HydrophobicContact CG2-CB 3.85Å; S165-A169 WeakPolarHBondContact O-CB 3.45Å; S165-A169 PolarHBondContact O-N 2.86Å; I166-A169 PolarHBondContact O-N 2.88Å; I167-A169 VanDerWaalsContact C-N 3.32Å; I167-A169 PolarHBondContact O-N 3.18Å; A169-I172 PolarHBondContact O-N 3.3Å; A169-R173 WeakPolarHBondContact O-CB 3.4Å; A169-R173 WeakPolarHBondContact O-CG 3.35Å; A169-R173 PolarHBondContact O-N 3.08Å; A169-L202 HydrophobicContact CB-CD2 3.58Å; A169-L205 HydrophobicContact CB-CD1 3.72Å
170	Y	98.4	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-44.9	178.1	-176.7	-104.7	0	0	0	111.9	L73 F76 I78 C139 L142 N143 I166 I167 I168 I172 R173 I174 Y175	L73-Y170 HydrophobicContact CD1-CE1 4.02Å; F76-Y170 AromaticContact CE1-CE1 3.98Å; F76-Y170 HydrophobicContact CE1-CE1 3.98Å; F76-Y170 AromaticContact CZ-CE1 3.72Å; F76-Y170 HydrophobicContact CZ-CE1 3.72Å; F76-Y170 AromaticContact CZ-CZ 4Å; I78-Y170 HydrophobicContact CD1-CD1 3.81Å; I78-Y170 HydrophobicContact CD1-CE1 4.02Å; C139-Y170 HydrophobicContact CB-CD2 4.17Å; L142-Y170 HydrophobicContact CB-CD2 3.96Å; L142-Y170 HydrophobicContact CB-CE1 4.43Å; L142-Y170 HydrophobicContact CB-CE2 3.55Å; L142-Y170 HydrophobicContact CD1-CD1 4.08Å; L142-Y170 HydrophobicContact CD1-CD2 3.65Å; L142-Y170 HydrophobicContact CD1-CE1 4.5Å; L142-Y170 HydrophobicContact CD1-CE2 4.12Å; L142-Y170 HydrophobicContact CD1-CG 3.64Å; L142-Y170 HydrophobicContact CG-CD2 4.47Å; L142-Y170 HydrophobicContact CG-CE2 4.49Å; N143-Y170 WeakPolarHBondContact OD1-CE2 3.17Å; N143-Y170 PolarHBondContact OD1-OH 2.76Å; I166-Y170 WeakPolarHBondContact O-CB 3.17Å; I166-Y170 PolarHBondContact O-N 2.94Å; I167-Y170 PolarHBondContact O-N 3.22Å; I168-Y170 VanDerWaalsContact C-N 3.32Å; I168-Y170 PolarHBondContact O-N 2.86Å; Y170-I172 VanDerWaalsContact C-N 3.34Å; Y170-I172 PolarHBondContact O-N 3.46Å; Y170-R173 PolarHBondContact O-N 3.44Å; Y170-I174 HydrophobicContact CD2-CB 4.39Å; Y170-I174 HydrophobicContact CD2-CG1 3.65Å; Y170-I174 HydrophobicContact CE2-CB 4.11Å; Y170-I174 HydrophobicContact CE2-CG1 3.47Å; Y170-I174 VanDerWaalsContact CE2-CG1 3.47Å; Y170-I174 HydrophobicContact CE2-CG2 4.35Å; Y170-I174 HydrophobicContact CG-CG1 4.36Å; Y170-I174 WeakPolarHBondContact O-CB 3.5Å; Y170-I174 PolarHBondContact O-N 3.33Å; Y170-Y175 HydrophobicContact CD1-CE2 4.36Å; Y170-Y175 HydrophobicContact CE1-CD2 4.28Å; Y170-Y175 AromaticContact CE1-CE2 3.66Å; Y170-Y175 HydrophobicContact CE1-CE2 3.66Å
171	L	98.3	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-40.1	176.7	-68.1	172.3	0	0	0	112.2	L73 I167 I168 Y175 N176 Y177 A182 L185 V186	L73-L171 HydrophobicContact CD2-CD2 3.8Å; I167-L171 HydrophobicContact CG2-CD1 4.06Å; I167-L171 HydrophobicContact CG2-CG 4.37Å; I167-L171 VanDerWaalsContact O-CG 3.31Å; I167-L171 WeakPolarHBondContact O-CG 3.43Å; I167-L171 PolarHBondContact O-N 3.33Å; I168-L171 PolarHBondContact O-N 2.82Å; L171-Y175 HydrophobicContact CD2-CD2 4.34Å; L171-Y175 CarbonylContact O-C 3.51Å; L171-Y175 WeakPolarHBondContact O-CA 3.41Å; L171-Y175 WeakPolarHBondContact O-CB 3.25Å; L171-Y175 PolarHBondContact O-N 3.37Å; L171-Y175 VanDerWaalsContact O-N 3.15Å; L171-N176 PolarHBondContact O-N 3.47Å; L171-Y177 HydrophobicContact CB-CD2 4.23Å; L171-Y177 HydrophobicContact CD2-CE2 4.43Å; L171-Y177 PolarHBondContact O-N 3.06Å; L171-A182 HydrophobicContact CB-CB 3.87Å; L171-A182 HydrophobicContact CD1-CB 4.1Å; L171-L185 HydrophobicContact CD1-CD2 4.1Å; L171-V186 HydrophobicContact CD1-CG2 3.94Å
172	I	98.1	Very high	98	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-54.4	175.4	-67	164.9	0	0	0	109.9	I168 A169 Y170 N176 Y177 Y179 A182 L205 N206	I168-I172 HydrophobicContact CG2-CD1 3.75Å; I168-I172 HydrophobicContact CG2-CG1 4.45Å; I168-I172 VanDerWaalsContact O-CG1 3.3Å; I168-I172 WeakPolarHBondContact O-CG1 3.39Å; I168-I172 PolarHBondContact O-N 3.02Å; A169-I172 PolarHBondContact O-N 3.3Å; Y170-I172 VanDerWaalsContact C-N 3.34Å; Y170-I172 PolarHBondContact O-N 3.46Å; I172-N176 WeakPolarHBondContact O-CA 3.25Å; I172-N176 PolarHBondContact O-N 3.05Å; I172-N176 VanDerWaalsContact O-N 3.1Å; I172-Y177 WeakPolarHBondContact CG1-O 3.38Å; I172-Y179 HydrophobicContact CD1-CD2 4.29Å; I172-A182 HydrophobicContact CG1-CB 4.16Å; I172-L205 HydrophobicContact CG2-CB 3.76Å; I172-N206 VanDerWaalsContact CG2-OD1 3.26Å; I172-N206 WeakPolarHBondContact CG2-OD1 3.37Å
173	R	96.6	Very high	98	Very high	102 Å²	102	35.4 Å²	35.4	39%	0.385	17%	0.165	S	C	.	.	H	α-helix	trans	-73.5	-34.9	-170.9	-70.2	-171.5	71.2	176.4	-2.3	114.9	N136 A169 Y170	N136-R173 PolarHBondContact OD1-NH1 3.44Å; N136-R173 PolarHBondContact OD1-NH2 3.22Å; A169-R173 WeakPolarHBondContact O-CB 3.4Å; A169-R173 WeakPolarHBondContact O-CG 3.35Å; A169-R173 PolarHBondContact O-N 3.08Å; Y170-R173 PolarHBondContact O-N 3.44Å
174	I	96	Very high	98	Very high	61 Å²	61	39.3 Å²	39.3	31%	0.313	19%	0.186	S	C	.	.	H	α-helix	trans	-103.2	-32.2	-171.7	-55.8	-55.4	0	0	0	112	Y170	Y170-I174 HydrophobicContact CD2-CB 4.39Å; Y170-I174 HydrophobicContact CD2-CG1 3.65Å; Y170-I174 HydrophobicContact CE2-CB 4.11Å; Y170-I174 HydrophobicContact CE2-CG1 3.47Å; Y170-I174 VanDerWaalsContact CE2-CG1 3.47Å; Y170-I174 HydrophobicContact CE2-CG2 4.35Å; Y170-I174 HydrophobicContact CG-CG1 4.36Å; Y170-I174 WeakPolarHBondContact O-CB 3.5Å; Y170-I174 PolarHBondContact O-N 3.33Å
175	Y	95.9	Very high	97.9	Very high	43 Å²	43	42.6 Å²	42.6	17%	0.169	20%	0.203	C	C	.	.	H	α-helix	trans	-107.6	2.8	-179.5	-68.8	-94.9	0	0	0	113.3	L73 E75 K146 Y170 L171 Y177	L73-Y175 HydrophobicContact CD1-CE2 3.77Å; L73-Y175 HydrophobicContact CD2-CE1 4.22Å; L73-Y175 HydrophobicContact CD2-CE2 4.22Å; E75-Y175 PolarHBondContact OE2-OH 2.92Å; K146-Y175 PolarHBondContact NZ-OH 2.81Å; Y170-Y175 HydrophobicContact CD1-CE2 4.36Å; Y170-Y175 HydrophobicContact CE1-CD2 4.28Å; Y170-Y175 AromaticContact CE1-CE2 3.66Å; Y170-Y175 HydrophobicContact CE1-CE2 3.66Å; L171-Y175 HydrophobicContact CD2-CD2 4.34Å; L171-Y175 CarbonylContact O-C 3.51Å; L171-Y175 WeakPolarHBondContact O-CA 3.41Å; L171-Y175 WeakPolarHBondContact O-CB 3.25Å; L171-Y175 PolarHBondContact O-N 3.37Å; L171-Y175 VanDerWaalsContact O-N 3.15Å; Y175-Y177 VanDerWaalsContact O-CD1 3.26Å; Y175-Y177 WeakPolarHBondContact O-CD1 3.4Å; Y175-Y177 PolarHBondContact O-N 3.38Å
176	N	96.5	Very high	97.9	Very high	143 Å²	143	42.6 Å²	42.6	77%	0.765	20%	0.203	S	C	*	.			trans	53.3	38.2	179.5	-59.7	-41.2	0	0	0	112.8	L171 I172	L171-N176 PolarHBondContact O-N 3.47Å; I172-N176 WeakPolarHBondContact O-CA 3.25Å; I172-N176 PolarHBondContact O-N 3.05Å; I172-N176 VanDerWaalsContact O-N 3.1Å
177	Y	97.7	Very high	97.9	Very high	54 Å²	54	44.3 Å²	44.3	21%	0.212	21%	0.213	C	C	.	.			trans	-78.8	144.2	174.6	-77.9	16	0	0	0	110.1	L171 I172 Y175 K181 L185 N206	L171-Y177 HydrophobicContact CB-CD2 4.23Å; L171-Y177 HydrophobicContact CD2-CE2 4.43Å; L171-Y177 PolarHBondContact O-N 3.06Å; I172-Y177 WeakPolarHBondContact CG1-O 3.38Å; Y175-Y177 VanDerWaalsContact O-CD1 3.26Å; Y175-Y177 WeakPolarHBondContact O-CD1 3.4Å; Y175-Y177 PolarHBondContact O-N 3.38Å; Y177-K181 HydrophobicContact CD1-CD 4.05Å; Y177-K181 HydrophobicContact CD2-CD 3.81Å; Y177-K181 HydrophobicContact CD2-CG 3.87Å; Y177-K181 HydrophobicContact CE1-CD 4.39Å; Y177-K181 HydrophobicContact CE2-CD 4.15Å; Y177-K181 HydrophobicContact CE2-CG 4.32Å; Y177-K181 HydrophobicContact CG-CD 3.76Å; Y177-K181 HydrophobicContact CG-CG 4.2Å; Y177-L185 HydrophobicContact CE2-CD2 3.91Å; Y177-N206 PolarHBondContact O-OD1 2.97Å
178	S	98.1	Very high	97.9	Very high	50 Å²	50	50.6 Å²	50.6	35%	0.35	25%	0.246	S	C	.	.			trans	-61.9	157.2	164.5	85.8	0	0	0	0	110	E180 K181 A182	S178-E180 VanDerWaalsContact C-N 3.29Å; S178-E180 PolarHBondContact O-N 3.03Å; S178-E180 PolarHBondContact OG-N 3.31Å; S178-E180 PolarHBondContact OG-OE2 3.03Å; S178-K181 PolarHBondContact O-N 3.18Å; S178-K181 PolarHBondContact OG-N 3.42Å; S178-A182 WeakPolarHBondContact O-CB 3.38Å; S178-A182 PolarHBondContact O-N 3.41Å
179	Y	98.3	Very high	97.8	Very high	12 Å²	12	52.1 Å²	52.1	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-56.7	-44.2	176	168.9	-90.2	0	0	0	111.1	I168 I172 K181 A182 Y183 I194 K199 L202 M203 N206	I168-Y179 HydrophobicContact CG2-CD2 4.14Å; I168-Y179 HydrophobicContact CG2-CE2 4.28Å; I172-Y179 HydrophobicContact CD1-CD2 4.29Å; Y179-K181 PolarHBondContact O-N 2.96Å; Y179-A182 PolarHBondContact O-N 2.85Å; Y179-Y183 HydrophobicContact CE1-CD2 4.46Å; Y179-Y183 HydrophobicContact CE1-CG 4.46Å; Y179-Y183 HydrophobicContact CE2-CD2 4.43Å; Y179-Y183 AromaticContact CZ-CD2 3.82Å; Y179-Y183 VanDerWaalsContact O-CB 3.22Å; Y179-Y183 WeakPolarHBondContact O-CB 3.48Å; Y179-Y183 PolarHBondContact O-N 3.13Å; Y179-Y183 WeakPolarHBondContact OH-CD2 3.29Å; Y179-I194 HydrophobicContact CE2-CD1 4.27Å; Y179-I194 WeakPolarHBondContact OH-CD1 3.39Å; Y179-K199 HydrophobicContact CE2-CG 4.48Å; Y179-K199 WeakPolarHBondContact OH-CG 3.18Å; Y179-L202 HydrophobicContact CD2-CB 3.85Å; Y179-L202 HydrophobicContact CE2-CB 3.86Å; Y179-L202 HydrophobicContact CE2-CD1 4.27Å; Y179-M203 HydrophobicContact CD1-CE 4.3Å; Y179-M203 HydrophobicContact CD1-CG 3.8Å; Y179-M203 HydrophobicContact CD1-SD 4.4Å; Y179-M203 HydrophobicContact CD2-CG 3.83Å; Y179-M203 HydrophobicContact CE1-CG 4.12Å; Y179-M203 HydrophobicContact CE1-SD 4.38Å; Y179-M203 HydrophobicContact CE2-CG 4.11Å; Y179-M203 HydrophobicContact CG-CG 3.68Å; Y179-N206 PolarHBondContact N-ND2 3.02Å
180	E	98	Very high	97.8	Very high	109 Å²	109	52.5 Å²	52.5	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-42.1	-179.6	-55.5	88.2	-175.1	0	0	111.8	S178 Y183 N184	S178-E180 VanDerWaalsContact C-N 3.29Å; S178-E180 PolarHBondContact O-N 3.03Å; S178-E180 PolarHBondContact OG-N 3.31Å; S178-E180 PolarHBondContact OG-OE2 3.03Å; E180-Y183 PolarHBondContact O-N 2.88Å; E180-N184 VanDerWaalsContact O-CB 3.25Å; E180-N184 WeakPolarHBondContact O-CB 3.46Å; E180-N184 PolarHBondContact O-N 3.42Å; E180-N184 PolarHBondContact O-ND2 2.86Å
181	K	98.1	Very high	97.7	Very high	108 Å²	108	58.5 Å²	58.5	47%	0.47	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-48.4	178.5	-176.7	-177.8	177.6	-171.2	0	110.9	Y177 S178 Y179 L185	Y177-K181 HydrophobicContact CD1-CD 4.05Å; Y177-K181 HydrophobicContact CD2-CD 3.81Å; Y177-K181 HydrophobicContact CD2-CG 3.87Å; Y177-K181 HydrophobicContact CE1-CD 4.39Å; Y177-K181 HydrophobicContact CE2-CD 4.15Å; Y177-K181 HydrophobicContact CE2-CG 4.32Å; Y177-K181 HydrophobicContact CG-CD 3.76Å; Y177-K181 HydrophobicContact CG-CG 4.2Å; S178-K181 PolarHBondContact O-N 3.18Å; S178-K181 PolarHBondContact OG-N 3.42Å; Y179-K181 PolarHBondContact O-N 2.96Å; K181-L185 WeakPolarHBondContact O-CB 3.39Å; K181-L185 PolarHBondContact O-N 3.23Å
182	A	98.4	Very high	97.7	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-46.6	179	0	0	0	0	0	111.6	I168 L171 I172 S178 Y179 L185 V186	I168-A182 HydrophobicContact CG2-CB 3.97Å; L171-A182 HydrophobicContact CB-CB 3.87Å; L171-A182 HydrophobicContact CD1-CB 4.1Å; I172-A182 HydrophobicContact CG1-CB 4.16Å; S178-A182 WeakPolarHBondContact O-CB 3.38Å; S178-A182 PolarHBondContact O-N 3.41Å; Y179-A182 PolarHBondContact O-N 2.85Å; A182-L185 PolarHBondContact O-N 3.26Å; A182-V186 WeakPolarHBondContact O-CG2 2.93Å; A182-V186 PolarHBondContact O-N 3.43Å; A182-V186 VanDerWaalsContact O-N 3.12Å
183	Y	98.5	Very high	97.7	Very high	54 Å²	54	63 Å²	63	21%	0.212	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-50.2	177.8	-175.8	-84.1	0	0	0	111.7	I168 Y179 E180 L185 V186 N187 I192 I194	I168-Y183 HydrophobicContact CD1-CD2 3.8Å; I168-Y183 HydrophobicContact CD1-CG 4.46Å; Y179-Y183 HydrophobicContact CE1-CD2 4.46Å; Y179-Y183 HydrophobicContact CE1-CG 4.46Å; Y179-Y183 HydrophobicContact CE2-CD2 4.43Å; Y179-Y183 AromaticContact CZ-CD2 3.82Å; Y179-Y183 VanDerWaalsContact O-CB 3.22Å; Y179-Y183 WeakPolarHBondContact O-CB 3.48Å; Y179-Y183 PolarHBondContact O-N 3.13Å; Y179-Y183 WeakPolarHBondContact OH-CD2 3.29Å; E180-Y183 PolarHBondContact O-N 2.88Å; Y183-L185 VanDerWaalsContact C-N 3.34Å; Y183-L185 PolarHBondContact O-N 3.4Å; Y183-V186 PolarHBondContact O-N 3.05Å; Y183-N187 HydrophobicContact CD1-CB 4.31Å; Y183-N187 HydrophobicContact CE1-CB 4.04Å; Y183-N187 VanDerWaalsContact O-CB 3.29Å; Y183-N187 WeakPolarHBondContact O-CB 3.43Å; Y183-N187 PolarHBondContact O-N 3.3Å; Y183-I192 HydrophobicContact CD2-CD1 3.99Å; Y183-I192 HydrophobicContact CE2-CD1 3.72Å; Y183-I192 HydrophobicContact CE2-CG1 4.07Å; Y183-I194 HydrophobicContact CD2-CD1 4.15Å; Y183-I194 HydrophobicContact CE2-CD1 4.02Å; Y183-I194 HydrophobicContact CE2-CG1 4.07Å
184	N	98.3	Very high	97.7	Very high	82 Å²	82	58.9 Å²	58.9	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-40.4	-178.2	-71.4	-21.8	0	0	0	111.6	E180 V186 N187 N188	E180-N184 VanDerWaalsContact O-CB 3.25Å; E180-N184 WeakPolarHBondContact O-CB 3.46Å; E180-N184 PolarHBondContact O-N 3.42Å; E180-N184 PolarHBondContact O-ND2 2.86Å; N184-V186 VanDerWaalsContact C-N 3.34Å; N184-V186 PolarHBondContact O-N 3.12Å; N184-N187 PolarHBondContact O-N 3.11Å; N184-N188 VanDerWaalsContact O-CB 3.25Å; N184-N188 WeakPolarHBondContact O-CB 3.28Å; N184-N188 PolarHBondContact O-N 2.83Å; N184-N188 PolarHBondContact O-ND2 2.93Å; N184-N188 PolarHBondContact O-OD1 3.15Å
185	L	98.3	Very high	97.8	Very high	69 Å²	69	57.2 Å²	57.2	36%	0.361	30%	0.297	S	S	.	.	H	α-helix	trans	-58.7	-46.7	176	179.6	62.1	0	0	0	111.5	I71 L171 Y177 K181 A182 Y183	I71-L185 HydrophobicContact CD1-CG 4.26Å; I71-L185 HydrophobicContact CG2-CD2 4.11Å; L171-L185 HydrophobicContact CD1-CD2 4.1Å; Y177-L185 HydrophobicContact CE2-CD2 3.91Å; K181-L185 WeakPolarHBondContact O-CB 3.39Å; K181-L185 PolarHBondContact O-N 3.23Å; A182-L185 PolarHBondContact O-N 3.26Å; Y183-L185 VanDerWaalsContact C-N 3.34Å; Y183-L185 PolarHBondContact O-N 3.4Å
186	V	98.5	Very high	97.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-69.3	-45.9	-179.8	-178.9	0	0	0	0	111.1	I71 F80 P164 I167 I168 L171 A182 Y183 N184 N188 S189 R190 I192	I71-V186 HydrophobicContact CD1-CB 4.46Å; I71-V186 HydrophobicContact CD1-CG2 4.07Å; I71-V186 HydrophobicContact CG1-CG2 4.48Å; F80-V186 HydrophobicContact CE1-CG1 3.73Å; F80-V186 HydrophobicContact CE2-CG1 4.25Å; F80-V186 HydrophobicContact CZ-CG1 3.49Å; F80-V186 VanDerWaalsContact CZ-CG1 3.49Å; P164-V186 HydrophobicContact CB-CG1 3.97Å; I167-V186 HydrophobicContact CB-CG2 4.24Å; I167-V186 HydrophobicContact CG2-CG2 3.6Å; I168-V186 HydrophobicContact CG1-CB 4.29Å; I168-V186 HydrophobicContact CG1-CG2 3.95Å; L171-V186 HydrophobicContact CD1-CG2 3.94Å; A182-V186 WeakPolarHBondContact O-CG2 2.93Å; A182-V186 PolarHBondContact O-N 3.43Å; A182-V186 VanDerWaalsContact O-N 3.12Å; Y183-V186 PolarHBondContact O-N 3.05Å; N184-V186 VanDerWaalsContact C-N 3.34Å; N184-V186 PolarHBondContact O-N 3.12Å; V186-N188 VanDerWaalsContact C-N 3.31Å; V186-N188 PolarHBondContact O-N 3.03Å; V186-S189 PolarHBondContact O-N 2.82Å; V186-S189 PolarHBondContact O-OG 3.08Å; V186-R190 PolarHBondContact O-N 3.31Å; V186-I192 HydrophobicContact CB-CD1 4.19Å; V186-I192 HydrophobicContact CG1-CD1 3.98Å; V186-I192 HydrophobicContact CG1-CG2 4.09Å
187	N	98.4	Very high	98	Very high	39 Å²	39	54.6 Å²	54.6	21%	0.209	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-36.1	179.1	-172.8	73.7	0	0	0	113.2	Y183 N184 S189 R190 I192	Y183-N187 HydrophobicContact CD1-CB 4.31Å; Y183-N187 HydrophobicContact CE1-CB 4.04Å; Y183-N187 VanDerWaalsContact O-CB 3.29Å; Y183-N187 WeakPolarHBondContact O-CB 3.43Å; Y183-N187 PolarHBondContact O-N 3.3Å; N184-N187 PolarHBondContact O-N 3.11Å; N187-S189 PolarHBondContact O-N 2.88Å; N187-R190 CarbonylContact C-O 3.43Å; N187-R190 WeakPolarHBondContact CA-O 3.43Å; N187-R190 CarbonylContact O-C 3.53Å; N187-R190 VanDerWaalsContact O-C 3.28Å; N187-I192 HydrophobicContact CB-CD1 4.13Å; N187-I192 HydrophobicContact CB-CG1 3.83Å; N187-I192 WeakPolarHBondContact OD1-CG1 3.38Å; N187-I192 PolarHBondContact OD1-N 3.18Å; N187-I192 VanDerWaalsContact OD1-N 3.14Å
188	N	98	Very high	98	Very high	132 Å²	132	52 Å²	52	71%	0.706	28%	0.28	S	S	*	.	H	α-helix	trans	-70.2	-19.9	177.7	-70.9	-13.5	0	0	0	112.7	N184 V186	N184-N188 VanDerWaalsContact O-CB 3.25Å; N184-N188 WeakPolarHBondContact O-CB 3.28Å; N184-N188 PolarHBondContact O-N 2.83Å; N184-N188 PolarHBondContact O-ND2 2.93Å; N184-N188 PolarHBondContact O-OD1 3.15Å; V186-N188 VanDerWaalsContact C-N 3.31Å; V186-N188 PolarHBondContact O-N 3.03Å
189	S	97.5	Very high	98.1	Very high	32 Å²	32	54.3 Å²	54.3	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-86.6	-31.1	178.5	77.4	0	0	0	0	113.2	K70 F80 V186 N187	K70-S189 WeakPolarHBondContact O-CB 3.35Å; F80-S189 VanDerWaalsContact CE1-OG 3.26Å; F80-S189 WeakPolarHBondContact CE1-OG 3.32Å; F80-S189 WeakPolarHBondContact CZ-OG 3.39Å; V186-S189 PolarHBondContact O-N 2.82Å; V186-S189 PolarHBondContact O-OG 3.08Å; N187-S189 PolarHBondContact O-N 2.88Å
190	R	97.6	Very high	98	Very high	8 Å²	8	56.4 Å²	56.4	3%	0.03	30%	0.3	C	S	.	.	S	Bend	trans	-162.2	138.1	174.8	166.1	175.1	170.1	94.8	14.6	106.7	D65 Q67 F80 A158 V186 N187 I192	D65-R190 IonicContact OD1-CZ 3.55Å; D65-R190 IonicContact OD1-NH1 2.77Å; D65-R190 PolarHBondContact OD1-NH1 3.19Å; D65-R190 IonicContact OD1-NH2 3.37Å; D65-R190 PolarHBondContact OD1-NH2 3.03Å; D65-R190 IonicContact OD2-CZ 3.57Å; D65-R190 IonicContact OD2-NH1 3.57Å; D65-R190 IonicContact OD2-NH2 2.64Å; D65-R190 PolarHBondContact OD2-NH2 3Å; Q67-R190 VanDerWaalsContact CB-NH1 3.33Å; Q67-R190 HydrophobicContact CG-CG 4.4Å; Q67-R190 PolarHBondContact O-NH1 2.86Å; F80-R190 HydrophobicContact CE2-CB 3.87Å; F80-R190 HydrophobicContact CE2-CG 3.97Å; F80-R190 HydrophobicContact CZ-CB 3.71Å; F80-R190 HydrophobicContact CZ-CG 4.33Å; A158-R190 PolarHBondContact O-NH2 3.45Å; V186-R190 PolarHBondContact O-N 3.31Å; N187-R190 CarbonylContact C-O 3.43Å; N187-R190 WeakPolarHBondContact CA-O 3.43Å; N187-R190 CarbonylContact O-C 3.53Å; N187-R190 VanDerWaalsContact O-C 3.28Å; R190-I192 WeakPolarHBondContact O-CG2 3.39Å; R190-I192 PolarHBondContact O-N 3.02Å
191	N	97.3	Very high	98.1	Very high	125 Å²	125	52.4 Å²	52.4	67%	0.668	28%	0.281	S	S	*	.			trans	-59.7	124.4	-179.2	-69.7	-36.8	0	0	0	110.4
192	I	97.9	Very high	98.1	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.062	26%	0.259	C	S	.	.			trans	-119.5	157	-179.5	70.3	175.1	0	0	0	111.1	F80 I160 P164 I168 Y183 V186 N187 R190 I194	F80-I192 HydrophobicContact CE2-CG2 3.86Å; F80-I192 HydrophobicContact CZ-CG2 4.09Å; I160-I192 WeakPolarHBondContact O-CB 3.37Å; P164-I192 HydrophobicContact CB-CB 4.06Å; P164-I192 HydrophobicContact CB-CD1 3.94Å; P164-I192 HydrophobicContact CB-CG2 3.74Å; P164-I192 HydrophobicContact CG-CB 4Å; P164-I192 HydrophobicContact CG-CG2 3.44Å; P164-I192 VanDerWaalsContact CG-CG2 3.44Å; I168-I192 HydrophobicContact CD1-CD1 3.92Å; Y183-I192 HydrophobicContact CD2-CD1 3.99Å; Y183-I192 HydrophobicContact CE2-CD1 3.72Å; Y183-I192 HydrophobicContact CE2-CG1 4.07Å; V186-I192 HydrophobicContact CB-CD1 4.19Å; V186-I192 HydrophobicContact CG1-CD1 3.98Å; V186-I192 HydrophobicContact CG1-CG2 4.09Å; N187-I192 HydrophobicContact CB-CD1 4.13Å; N187-I192 HydrophobicContact CB-CG1 3.83Å; N187-I192 WeakPolarHBondContact OD1-CG1 3.38Å; N187-I192 PolarHBondContact OD1-N 3.18Å; N187-I192 VanDerWaalsContact OD1-N 3.14Å; R190-I192 WeakPolarHBondContact O-CG2 3.39Å; R190-I192 PolarHBondContact O-N 3.02Å; I192-I194 HydrophobicContact CD1-CG2 4.44Å
193	C	97.5	Very high	98	Very high	89 Å²	89	51.6 Å²	51.6	60%	0.601	28%	0.28	S	S	*	.			trans	-150.5	87.2	174.7	-171.8	0	0	0	0	107.8	I160 S161	I160-C193 HydrophobicContact CG2-CB 3.63Å; I160-C193 VanDerWaalsContact CG2-N 3.27Å; I160-C193 CarbonylContact O-C 3.52Å; I160-C193 PolarHBondContact O-N 2.84Å; S161-C193 WeakPolarHBondContact CB-O 3.25Å
194	I	97.8	Very high	97.9	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.077	30%	0.303	C	S	.	.			trans	-74.7	143.1	178.4	70	177.8	0	0	0	110.1	P164 S165 I168 Y179 Y183 I192 K199 L202	P164-I194 HydrophobicContact CB-CG2 4.24Å; S165-I194 WeakPolarHBondContact OG-CG2 3.35Å; I168-I194 HydrophobicContact CD1-CG2 4.48Å; Y179-I194 HydrophobicContact CE2-CD1 4.27Å; Y179-I194 WeakPolarHBondContact OH-CD1 3.39Å; Y183-I194 HydrophobicContact CD2-CD1 4.15Å; Y183-I194 HydrophobicContact CE2-CD1 4.02Å; Y183-I194 HydrophobicContact CE2-CG1 4.07Å; I192-I194 HydrophobicContact CD1-CG2 4.44Å; I194-K199 HydrophobicContact CD1-CB 3.75Å; I194-K199 HydrophobicContact CD1-CG 4.35Å; I194-K199 HydrophobicContact CG1-CB 4.07Å; I194-L202 HydrophobicContact CD1-CD1 3.82Å
195	N	97.7	Very high	97.8	Very high	25 Å²	25	55 Å²	55	13%	0.134	29%	0.294	C	S	.	.			trans	-65	156.4	176	78.4	57.4	0	0	0	111.3	D125 S161 N197 F198 K199	D125-N195 PolarHBondContact OD1-ND2 2.84Å; S161-N195 PolarHBondContact OG-N 2.96Å; N195-N197 VanDerWaalsContact C-N 3.26Å; N195-N197 PolarHBondContact O-N 2.81Å; N195-N197 WeakPolarHBondContact OD1-CA 3.43Å; N195-N197 VanDerWaalsContact OD1-CB 3.31Å; N195-N197 WeakPolarHBondContact OD1-CB 3.47Å; N195-N197 PolarHBondContact OD1-N 2.81Å; N195-F198 WeakPolarHBondContact ND2-CD2 3.41Å; N195-F198 WeakPolarHBondContact ND2-CE2 3.4Å; N195-F198 VanDerWaalsContact ND2-CG 3.29Å; N195-F198 WeakPolarHBondContact ND2-CG 3.48Å; N195-F198 WeakPolarHBondContact ND2-CZ 3.06Å; N195-F198 PolarHBondContact O-N 2.73Å; N195-F198 PolarHBondContact OD1-N 2.83Å; N195-K199 PolarHBondContact O-N 3Å
196	V	97.9	Very high	96.4	Very high	107 Å²	107	58.3 Å²	58.3	65%	0.648	31%	0.312	S	S	*	.	H	α-helix	trans	-63.4	-29.7	-174.2	-62.9	0	0	0	0	113.7	L127 S200	L127-V196 HydrophobicContact CD2-CG2 3.51Å; V196-S200 WeakPolarHBondContact O-CB 3.37Å; V196-S200 PolarHBondContact O-N 2.81Å
197	N	98.4	Very high	96.3	Very high	25 Å²	25	61.3 Å²	61.3	13%	0.134	33%	0.328	C	S	.	.	H	α-helix	trans	-68.9	-46.5	176.6	167.8	49.7	0	0	0	110.7	N126 L127 F129 N195 S200 Q201	N126-N197 PolarHBondContact O-ND2 2.84Å; N126-N197 VanDerWaalsContact O-ND2 3.13Å; L127-N197 HydrophobicContact CB-CB 4.46Å; L127-N197 HydrophobicContact CD2-CB 4.27Å; F129-N197 PolarHBondContact O-ND2 2.86Å; N195-N197 VanDerWaalsContact C-N 3.26Å; N195-N197 PolarHBondContact O-N 2.81Å; N195-N197 WeakPolarHBondContact OD1-CA 3.43Å; N195-N197 VanDerWaalsContact OD1-CB 3.31Å; N195-N197 WeakPolarHBondContact OD1-CB 3.47Å; N195-N197 PolarHBondContact OD1-N 2.81Å; N197-S200 PolarHBondContact O-N 2.97Å; N197-Q201 VanDerWaalsContact CG-NE2 3.27Å; N197-Q201 PolarHBondContact ND2-NE2 2.82Å; N197-Q201 VanDerWaalsContact ND2-NE2 3.17Å; N197-Q201 WeakPolarHBondContact O-CG 3.26Å; N197-Q201 PolarHBondContact O-N 3.28Å; N197-Q201 PolarHBondContact OD1-NE2 3.34Å
198	F	98.4	Very high	96.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-45.3	175.3	-66.9	-6.8	0	0	0	111.3	V123 Y124 F129 L131 R162 S165 N195 S200 Q201 L202	V123-F198 HydrophobicContact CG1-CZ 4.06Å; Y124-F198 WeakPolarHBondContact O-CZ 3.36Å; F129-F198 HydrophobicContact CB-CE1 4.11Å; F129-F198 HydrophobicContact CD1-CE1 4.22Å; F129-F198 HydrophobicContact CD1-CZ 4.44Å; L131-F198 HydrophobicContact CD1-CB 3.86Å; L131-F198 HydrophobicContact CD1-CD1 3.6Å; L131-F198 HydrophobicContact CD1-CD2 4.37Å; L131-F198 HydrophobicContact CD1-CE1 4.21Å; L131-F198 HydrophobicContact CD1-CG 3.69Å; L131-F198 HydrophobicContact CD2-CD1 4.07Å; L131-F198 HydrophobicContact CD2-CE1 3.81Å; L131-F198 HydrophobicContact CD2-CE2 4.43Å; L131-F198 HydrophobicContact CD2-CG 4.49Å; L131-F198 HydrophobicContact CD2-CZ 4Å; L131-F198 HydrophobicContact CG-CD1 3.75Å; L131-F198 HydrophobicContact CG-CE1 3.89Å; L131-F198 HydrophobicContact CG-CG 4.3Å; R162-F198 HydrophobicContact CG-CE2 3.79Å; R162-F198 HydrophobicContact CG-CZ 4.35Å; S165-F198 WeakPolarHBondContact OG-CD2 3.28Å; N195-F198 WeakPolarHBondContact ND2-CD2 3.41Å; N195-F198 WeakPolarHBondContact ND2-CE2 3.4Å; N195-F198 VanDerWaalsContact ND2-CG 3.29Å; N195-F198 WeakPolarHBondContact ND2-CG 3.48Å; N195-F198 WeakPolarHBondContact ND2-CZ 3.06Å; N195-F198 PolarHBondContact O-N 2.73Å; N195-F198 PolarHBondContact OD1-N 2.83Å; F198-S200 VanDerWaalsContact C-N 3.32Å; F198-S200 PolarHBondContact O-N 2.65Å; F198-Q201 PolarHBondContact O-N 3.44Å; F198-Q201 VanDerWaalsContact O-N 3.16Å; F198-L202 WeakPolarHBondContact O-CB 3.44Å; F198-L202 WeakPolarHBondContact O-CG 3.27Å; F198-L202 PolarHBondContact O-N 2.76Å
199	K	98.1	Very high	96.1	Very high	98 Å²	98	58.6 Å²	58.6	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-52	-50.4	173.4	179.8	167.3	-179.2	-179.3	0	112	Y179 I194 N195 Q201 L202 M203	Y179-K199 HydrophobicContact CE2-CG 4.48Å; Y179-K199 WeakPolarHBondContact OH-CG 3.18Å; I194-K199 HydrophobicContact CD1-CB 3.75Å; I194-K199 HydrophobicContact CD1-CG 4.35Å; I194-K199 HydrophobicContact CG1-CB 4.07Å; N195-K199 PolarHBondContact O-N 3Å; K199-Q201 VanDerWaalsContact C-N 3.33Å; K199-Q201 PolarHBondContact O-N 2.93Å; K199-L202 PolarHBondContact O-N 3.2Å; K199-M203 HydrophobicContact CG-CG 4.47Å; K199-M203 HydrophobicContact CG-SD 3.99Å; K199-M203 VanDerWaalsContact O-CG 3.31Å; K199-M203 WeakPolarHBondContact O-CG 3.26Å; K199-M203 PolarHBondContact O-N 2.93Å
200	S	98	Very high	96	Very high	55 Å²	55	60.1 Å²	60.1	39%	0.385	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-41.7	179.6	-176.7	0	0	0	0	112.5	V196 N197 F198 K204	V196-S200 WeakPolarHBondContact O-CB 3.37Å; V196-S200 PolarHBondContact O-N 2.81Å; N197-S200 PolarHBondContact O-N 2.97Å; F198-S200 VanDerWaalsContact C-N 3.32Å; F198-S200 PolarHBondContact O-N 2.65Å; S200-K204 WeakPolarHBondContact O-CG 3.3Å; S200-K204 PolarHBondContact O-N 2.66Å
201	Q	98.4	Very high	95.9	Very high	26 Å²	26	63.4 Å²	63.4	12%	0.121	34%	0.337	C	S	.	.	H	α-helix	trans	-67.8	-42.4	177.4	-69.3	178	52.6	0	0	112.3	F129 N197 F198 K199 M203 K204	F129-Q201 PolarHBondContact O-NE2 2.99Å; N197-Q201 VanDerWaalsContact CG-NE2 3.27Å; N197-Q201 PolarHBondContact ND2-NE2 2.82Å; N197-Q201 VanDerWaalsContact ND2-NE2 3.17Å; N197-Q201 WeakPolarHBondContact O-CG 3.26Å; N197-Q201 PolarHBondContact O-N 3.28Å; N197-Q201 PolarHBondContact OD1-NE2 3.34Å; F198-Q201 PolarHBondContact O-N 3.44Å; F198-Q201 VanDerWaalsContact O-N 3.16Å; K199-Q201 VanDerWaalsContact C-N 3.33Å; K199-Q201 PolarHBondContact O-N 2.93Å; Q201-M203 PolarHBondContact O-N 3.35Å; Q201-K204 WeakPolarHBondContact O-CB 3.44Å; Q201-K204 PolarHBondContact O-N 2.86Å
202	L	98.4	Very high	95.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.5	-38.5	179	-66.2	171.2	0	0	0	112.4	S165 I168 A169 Y179 I194 F198 K199 K204 L205	S165-L202 WeakPolarHBondContact O-CD2 3.41Å; I168-L202 HydrophobicContact CB-CD1 4.17Å; I168-L202 HydrophobicContact CD1-CD1 4.47Å; I168-L202 HydrophobicContact CG2-CB 4.49Å; I168-L202 HydrophobicContact CG2-CD1 3.93Å; I168-L202 HydrophobicContact CG2-CD2 4.4Å; A169-L202 HydrophobicContact CB-CD2 3.58Å; Y179-L202 HydrophobicContact CD2-CB 3.85Å; Y179-L202 HydrophobicContact CE2-CB 3.86Å; Y179-L202 HydrophobicContact CE2-CD1 4.27Å; I194-L202 HydrophobicContact CD1-CD1 3.82Å; F198-L202 WeakPolarHBondContact O-CB 3.44Å; F198-L202 WeakPolarHBondContact O-CG 3.27Å; F198-L202 PolarHBondContact O-N 2.76Å; K199-L202 PolarHBondContact O-N 3.2Å; L202-K204 PolarHBondContact O-N 2.78Å; L202-L205 HydrophobicContact CD2-CD1 3.86Å; L202-L205 WeakPolarHBondContact O-CB 3.48Å; L202-L205 PolarHBondContact O-N 3.33Å; L202-L205 VanDerWaalsContact O-N 3.11Å
203	M	97.5	Very high	95.6	Very high	90 Å²	90	62.6 Å²	62.6	44%	0.443	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-23.2	176.5	-69.4	-179.5	89.7	0	0	112.8	Y179 K199 Q201 L205	Y179-M203 HydrophobicContact CD1-CE 4.3Å; Y179-M203 HydrophobicContact CD1-CG 3.8Å; Y179-M203 HydrophobicContact CD1-SD 4.4Å; Y179-M203 HydrophobicContact CD2-CG 3.83Å; Y179-M203 HydrophobicContact CE1-CG 4.12Å; Y179-M203 HydrophobicContact CE1-SD 4.38Å; Y179-M203 HydrophobicContact CE2-CG 4.11Å; Y179-M203 HydrophobicContact CG-CG 3.68Å; K199-M203 HydrophobicContact CG-CG 4.47Å; K199-M203 HydrophobicContact CG-SD 3.99Å; K199-M203 VanDerWaalsContact O-CG 3.31Å; K199-M203 WeakPolarHBondContact O-CG 3.26Å; K199-M203 PolarHBondContact O-N 2.93Å; Q201-M203 PolarHBondContact O-N 3.35Å; M203-L205 VanDerWaalsContact C-N 3.33Å
204	K	96.8	Very high	95.5	Very high	160 Å²	160	60.6 Å²	60.6	70%	0.696	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-1.1	175.6	-65.9	171.4	-175.6	-179	0	113.9	S200 Q201 L202 N206	S200-K204 WeakPolarHBondContact O-CG 3.3Å; S200-K204 PolarHBondContact O-N 2.66Å; Q201-K204 WeakPolarHBondContact O-CB 3.44Å; Q201-K204 PolarHBondContact O-N 2.86Å; L202-K204 PolarHBondContact O-N 2.78Å; K204-N206 VanDerWaalsContact C-N 3.32Å
205	L	95.2	Very high	95.3	Very high	48 Å²	48	64.4 Å²	64.4	25%	0.251	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-11.4	175.4	-63.2	178.2	0	0	0	113.1	I135 A169 I172 L202 M203	I135-L205 HydrophobicContact CD1-CD1 4Å; A169-L205 HydrophobicContact CB-CD1 3.72Å; I172-L205 HydrophobicContact CG2-CB 3.76Å; L202-L205 HydrophobicContact CD2-CD1 3.86Å; L202-L205 WeakPolarHBondContact O-CB 3.48Å; L202-L205 PolarHBondContact O-N 3.33Å; L202-L205 VanDerWaalsContact O-N 3.11Å; M203-L205 VanDerWaalsContact C-N 3.33Å
206	N	68.7	Low	95.1	Very high	139 Å²	139	68 Å²	68	74%	0.743	35%	0.35	S	S	*	.			trans	-84.1	0	174.4	-67.7	-38.5	0	0	0	111.9	I172 Y177 Y179 K204	I172-N206 VanDerWaalsContact CG2-OD1 3.26Å; I172-N206 WeakPolarHBondContact CG2-OD1 3.37Å; Y177-N206 PolarHBondContact O-OD1 2.97Å; Y179-N206 PolarHBondContact N-ND2 3.02Å; K204-N206 VanDerWaalsContact C-N 3.32Å

Retrieved 206 of 206 residues in 74.6 ms (Link to these results)

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