A0A2K6BMG8_MACNE Loading...

NADP-dependent oxidoreductase domain-containing protein 1

Probable oxidoreductase.

AlphaFold DB , UniProt , Accession A0A2K6BMG8, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene NOXRED1, Length 359 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	41.3	Very low	60.4	Low	234 Å²	234	118.1 Å²	118.1	100%	1.153	60%	0.604	S	S	*	*				0	113.7	0	-102.3	-172.3	-98	0	0	106.9	M3	M1-M3 PolarHBondContact O-N 3.17Å
2	D	48.9	Very low	61.7	Low	58 Å²	58	118.8 Å²	118.8	31%	0.31	60%	0.6	S	S	.	*			trans	-75.8	107.6	173.2	-173.3	-6	0	0	0	106.9	L4 Q5 N205	D2-L4 PolarHBondContact O-N 2.99Å; D2-L4 PolarHBondContact OD1-N 3.28Å; D2-Q5 HydrophobicContact CB-CB 4.25Å; D2-Q5 WeakPolarHBondContact O-CB 3.39Å; D2-Q5 PolarHBondContact O-N 2.82Å; D2-Q5 VanDerWaalsContact O-N 3.1Å; D2-N205 VanDerWaalsContact OD2-CB 3.29Å; D2-N205 WeakPolarHBondContact OD2-CB 3.5Å; D2-N205 PolarHBondContact OD2-ND2 3.03Å
3	M	51.4	Low	63	Low	168 Å²	168	115.5 Å²	115.5	83%	0.828	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-9.9	-173	-65.8	-167.1	-58.4	0	0	113.4	M1	M1-M3 PolarHBondContact O-N 3.17Å
4	L	56.4	Low	64	Low	77 Å²	77	117.9 Å²	117.9	40%	0.403	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.8	-3.6	-178.7	-59.6	175	0	0	0	113.1	D2 D6 L7 L10	D2-L4 PolarHBondContact O-N 2.99Å; D2-L4 PolarHBondContact OD1-N 3.28Å; L4-D6 PolarHBondContact O-N 3.49Å; L4-L7 HydrophobicContact CD2-CD1 4.49Å; L4-L7 PolarHBondContact O-N 3.18Å; L4-L7 VanDerWaalsContact O-N 3.16Å; L4-L10 HydrophobicContact CD2-CB 3.94Å; L4-L10 HydrophobicContact CD2-CD1 3.68Å; L4-L10 HydrophobicContact CD2-CG 4.49Å
5	Q	55	Low	65.1	Low	133 Å²	133	114.6 Å²	114.6	62%	0.621	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-30.8	-175	-157.8	168.4	2.3	0	0	112.3	D2 Q11	D2-Q5 HydrophobicContact CB-CB 4.25Å; D2-Q5 WeakPolarHBondContact O-CB 3.39Å; D2-Q5 PolarHBondContact O-N 2.82Å; D2-Q5 VanDerWaalsContact O-N 3.1Å; Q5-Q11 PolarHBondContact O-NE2 2.61Å
6	D	59.4	Low	66.3	Low	152 Å²	152	108.6 Å²	108.6	81%	0.813	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	4	179.5	-56.9	-41.5	0	0	0	113.5	L4	L4-D6 PolarHBondContact O-N 3.49Å
7	L	72	Confident	67.5	Low	82 Å²	82	105.9 Å²	105.9	43%	0.429	55%	0.55	S	S	.	*			trans	-115.6	76.7	-178.5	-65.7	173	0	0	0	109.8	L4 S9 L10	L4-L7 HydrophobicContact CD2-CD1 4.49Å; L4-L7 PolarHBondContact O-N 3.18Å; L4-L7 VanDerWaalsContact O-N 3.16Å; L7-S9 PolarHBondContact O-N 3.26Å; L7-S9 VanDerWaalsContact O-N 3.09Å; L7-L10 HydrophobicContact CB-CB 4.26Å; L7-L10 HydrophobicContact CB-CD1 4.08Å; L7-L10 HydrophobicContact CB-CG 4.27Å; L7-L10 HydrophobicContact CD1-CD1 3.71Å; L7-L10 HydrophobicContact CG-CD1 4.5Å; L7-L10 PolarHBondContact O-N 3.03Å
8	E	66.5	Low	68.5	Low	144 Å²	144	108.2 Å²	108.2	67%	0.673	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-50.7	-36.2	-177.9	-69.5	-176	167.8	0	0	113.2	L10 Q11 Y14	E8-L10 VanDerWaalsContact C-N 3.25Å; E8-L10 PolarHBondContact O-N 3.19Å; E8-Q11 WeakPolarHBondContact O-CB 3.36Å; E8-Q11 PolarHBondContact O-N 3.35Å; E8-Y14 VanDerWaalsContact O-CB 3.29Å; E8-Y14 WeakPolarHBondContact O-CB 3.46Å
9	S	72.3	Confident	69.5	Low	78 Å²	78	110.1 Å²	110.1	55%	0.545	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-70.6	-14.9	179.5	60	0	0	0	0	115.1	L7	L7-S9 PolarHBondContact O-N 3.26Å; L7-S9 VanDerWaalsContact O-N 3.09Å
10	L	68.8	Low	70.4	Confident	104 Å²	104	108.3 Å²	108.3	55%	0.545	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-102	-1.7	176.8	-62.3	-179.1	0	0	0	112.7	L4 L7 E8	L4-L10 HydrophobicContact CD2-CB 3.94Å; L4-L10 HydrophobicContact CD2-CD1 3.68Å; L4-L10 HydrophobicContact CD2-CG 4.49Å; L7-L10 HydrophobicContact CB-CB 4.26Å; L7-L10 HydrophobicContact CB-CD1 4.08Å; L7-L10 HydrophobicContact CB-CG 4.27Å; L7-L10 HydrophobicContact CD1-CD1 3.71Å; L7-L10 HydrophobicContact CG-CD1 4.5Å; L7-L10 PolarHBondContact O-N 3.03Å; E8-L10 VanDerWaalsContact C-N 3.25Å; E8-L10 PolarHBondContact O-N 3.19Å
11	Q	72.3	Confident	71.1	Confident	69 Å²	69	108.4 Å²	108.4	32%	0.322	55%	0.549	S	S	.	.	S	Bend	trans	-74.2	147	174.7	-64.7	-177	-3.8	0	0	110.1	Q5 E8 E13 Y14	Q5-Q11 PolarHBondContact O-NE2 2.61Å; E8-Q11 WeakPolarHBondContact O-CB 3.36Å; E8-Q11 PolarHBondContact O-N 3.35Å; Q11-E13 WeakPolarHBondContact CB-OE2 3.46Å; Q11-E13 PolarHBondContact O-N 3Å; Q11-Y14 WeakPolarHBondContact O-CB 3.38Å; Q11-Y14 PolarHBondContact O-N 3.29Å
12	F	76.2	Confident	73.1	Confident	126 Å²	126	102.6 Å²	102.6	55%	0.553	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-56.9	-40.3	-178	174.3	-84.6	0	0	0	110.9	Y14 G15 V16 L24	F12-Y14 PolarHBondContact O-N 3.42Å; F12-G15 PolarHBondContact O-N 2.89Å; F12-G15 VanDerWaalsContact O-N 3.12Å; F12-V16 HydrophobicContact CD1-CG2 3.86Å; F12-V16 HydrophobicContact CE1-CG2 3.37Å; F12-V16 HydrophobicContact CZ-CG2 4.1Å; F12-L24 HydrophobicContact CD1-CD2 4.21Å; F12-L24 HydrophobicContact CE1-CD2 4.12Å
13	E	78.8	Confident	74.8	Confident	77 Å²	77	106.2 Å²	106.2	36%	0.36	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-60.3	-30	-176.9	-62.2	82.3	174.7	0	0	112.7	Q11 G15 V16 L24	Q11-E13 WeakPolarHBondContact CB-OE2 3.46Å; Q11-E13 PolarHBondContact O-N 3Å; E13-G15 VanDerWaalsContact C-N 3.32Å; E13-G15 PolarHBondContact O-N 2.93Å; E13-V16 PolarHBondContact O-N 3.29Å; E13-L24 HydrophobicContact CB-CD1 4.27Å; E13-L24 HydrophobicContact CG-CD1 4.01Å; E13-L24 HydrophobicContact CG-CD2 4.08Å
14	Y	77.3	Confident	76.3	Confident	149 Å²	149	100.2 Å²	100.2	58%	0.584	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-69.8	-31.2	178.8	-165.5	-91.4	0	0	0	112.2	E8 Q11 F12 V16	E8-Y14 VanDerWaalsContact O-CB 3.29Å; E8-Y14 WeakPolarHBondContact O-CB 3.46Å; Q11-Y14 WeakPolarHBondContact O-CB 3.38Å; Q11-Y14 PolarHBondContact O-N 3.29Å; F12-Y14 PolarHBondContact O-N 3.42Å; Y14-V16 VanDerWaalsContact C-N 3.29Å; Y14-V16 PolarHBondContact O-N 3.33Å
15	G	80.2	Confident	77.6	Confident	68 Å²	68	100.4 Å²	100.4	70%	0.701	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-80.4	-4.3	176.4	0	0	0	0	0	114.5	F12 E13	F12-G15 PolarHBondContact O-N 2.89Å; F12-G15 VanDerWaalsContact O-N 3.12Å; E13-G15 VanDerWaalsContact C-N 3.32Å; E13-G15 PolarHBondContact O-N 2.93Å
16	V	83.4	Confident	79.1	Confident	19 Å²	19	97.8 Å²	97.8	12%	0.115	49%	0.488	C	S	.	.	S	Bend	trans	-91.1	123.8	-177.6	-177.4	0	0	0	0	110.1	F12 E13 Y14 D20 R21 L24	F12-V16 HydrophobicContact CD1-CG2 3.86Å; F12-V16 HydrophobicContact CE1-CG2 3.37Å; F12-V16 HydrophobicContact CZ-CG2 4.1Å; E13-V16 PolarHBondContact O-N 3.29Å; Y14-V16 VanDerWaalsContact C-N 3.29Å; Y14-V16 PolarHBondContact O-N 3.33Å; V16-D20 HydrophobicContact CG1-CB 3.62Å; V16-R21 HydrophobicContact CB-CG 4.48Å; V16-R21 HydrophobicContact CG1-CG 4.18Å; V16-L24 HydrophobicContact CG2-CD2 4.03Å
17	P	87.7	Confident	80.3	Confident	62 Å²	62	94.2 Å²	94.2	40%	0.403	47%	0.467	S	S	.	.			trans	-52.4	146.4	173	-24.9	34.1	0	0	0	111.7	E19 D20 R21	P17-E19 VanDerWaalsContact C-N 3.25Å; P17-E19 HydrophobicContact CB-CG 4.14Å; P17-E19 PolarHBondContact O-N 3.38Å; P17-D20 PolarHBondContact O-N 3.15Å; P17-R21 PolarHBondContact O-N 3.33Å
18	E	84.9	Confident	81.1	Confident	148 Å²	148	91 Å²	91	69%	0.692	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-57.4	-37.9	-176.5	-74.3	-172.9	161.2	0	0	112.9	D20 R21	E18-D20 PolarHBondContact O-N 3.33Å; E18-R21 PolarHBondContact O-N 3.29Å
19	E	88.6	Confident	82.1	Confident	143 Å²	143	86.3 Å²	86.3	67%	0.668	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-60.3	-29.1	175.1	59.5	-111.9	-143.5	0	0	114	P17	P17-E19 VanDerWaalsContact C-N 3.25Å; P17-E19 HydrophobicContact CB-CG 4.14Å; P17-E19 PolarHBondContact O-N 3.38Å
20	D	86.6	Confident	83	Confident	74 Å²	74	86.5 Å²	86.5	40%	0.396	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-93.5	-10.6	-176.1	-74.1	-25	0	0	0	112.7	V16 P17 E18 I22 W23	V16-D20 HydrophobicContact CG1-CB 3.62Å; P17-D20 PolarHBondContact O-N 3.15Å; E18-D20 PolarHBondContact O-N 3.33Å; D20-I22 PolarHBondContact O-N 2.95Å; D20-I22 VanDerWaalsContact O-N 3.11Å; D20-W23 WeakPolarHBondContact O-CB 3.26Å; D20-W23 PolarHBondContact O-N 2.94Å
21	R	84.3	Confident	84.1	Confident	111 Å²	111	84.3 Å²	84.3	42%	0.419	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-60.2	-25.2	179.4	-71.2	-177.4	178.6	-179.8	-2.8	112.8	V16 P17 E18 W23 L24	V16-R21 HydrophobicContact CB-CG 4.48Å; V16-R21 HydrophobicContact CG1-CG 4.18Å; P17-R21 PolarHBondContact O-N 3.33Å; E18-R21 PolarHBondContact O-N 3.29Å; R21-W23 PolarHBondContact O-N 3.42Å; R21-W23 VanDerWaalsContact O-N 3.1Å; R21-L24 HydrophobicContact CB-CD1 4.06Å; R21-L24 HydrophobicContact CG-CD1 4.11Å; R21-L24 WeakPolarHBondContact O-CB 3.46Å; R21-L24 WeakPolarHBondContact O-CG 3.27Å; R21-L24 PolarHBondContact O-N 3.24Å; R21-L24 VanDerWaalsContact O-N 3.12Å
22	I	84.5	Confident	85.1	Confident	113 Å²	113	81 Å²	81	58%	0.579	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-58.3	-20.6	173	67.4	175.7	0	0	0	112.9	D20 Y25	D20-I22 PolarHBondContact O-N 2.95Å; D20-I22 VanDerWaalsContact O-N 3.11Å; I22-Y25 WeakPolarHBondContact O-CD1 3.4Å; I22-Y25 VanDerWaalsContact O-CE1 3.23Å; I22-Y25 WeakPolarHBondContact O-CE1 3.28Å
23	W	84.8	Confident	85.9	Confident	133 Å²	133	77.6 Å²	77.6	50%	0.504	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-95.3	-3.7	-179.2	-59.7	113.9	0	0	0	114.1	D20 R21 Y25 L26	D20-W23 WeakPolarHBondContact O-CB 3.26Å; D20-W23 PolarHBondContact O-N 2.94Å; R21-W23 PolarHBondContact O-N 3.42Å; R21-W23 VanDerWaalsContact O-N 3.1Å; W23-Y25 HydrophobicContact CE3-CE1 4Å; W23-Y25 HydrophobicContact CZ3-CE1 4.47Å; W23-Y25 PolarHBondContact O-N 2.57Å; W23-Y25 VanDerWaalsContact O-N 3.11Å; W23-L26 HydrophobicContact CB-CD1 4.24Å; W23-L26 HydrophobicContact CD2-CD1 4.47Å; W23-L26 HydrophobicContact CE3-CD1 3.79Å; W23-L26 HydrophobicContact CE3-CG 4.38Å; W23-L26 VanDerWaalsContact O-CB 3.25Å; W23-L26 WeakPolarHBondContact O-CB 3.16Å; W23-L26 WeakPolarHBondContact O-CG 3.45Å; W23-L26 PolarHBondContact O-N 3.08Å
24	L	82.6	Confident	86.7	Confident	43 Å²	43	75.2 Å²	75.2	23%	0.225	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.1	-177.6	-74.6	172.9	0	0	0	112.9	F12 E13 V16 R21 L26 Q27	F12-L24 HydrophobicContact CD1-CD2 4.21Å; F12-L24 HydrophobicContact CE1-CD2 4.12Å; E13-L24 HydrophobicContact CB-CD1 4.27Å; E13-L24 HydrophobicContact CG-CD1 4.01Å; E13-L24 HydrophobicContact CG-CD2 4.08Å; V16-L24 HydrophobicContact CG2-CD2 4.03Å; R21-L24 HydrophobicContact CB-CD1 4.06Å; R21-L24 HydrophobicContact CG-CD1 4.11Å; R21-L24 WeakPolarHBondContact O-CB 3.46Å; R21-L24 WeakPolarHBondContact O-CG 3.27Å; R21-L24 PolarHBondContact O-N 3.24Å; R21-L24 VanDerWaalsContact O-N 3.12Å; L24-L26 PolarHBondContact O-N 2.99Å; L24-L26 VanDerWaalsContact O-N 3.12Å; L24-Q27 WeakPolarHBondContact O-CB 3.39Å; L24-Q27 PolarHBondContact O-N 2.85Å
25	Y	83.4	Confident	87.6	Confident	80 Å²	80	68.2 Å²	68.2	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-25	175.3	79	-90.7	0	0	0	113	I22 W23 Q27 G28 R29	I22-Y25 WeakPolarHBondContact O-CD1 3.4Å; I22-Y25 VanDerWaalsContact O-CE1 3.23Å; I22-Y25 WeakPolarHBondContact O-CE1 3.28Å; W23-Y25 HydrophobicContact CE3-CE1 4Å; W23-Y25 HydrophobicContact CZ3-CE1 4.47Å; W23-Y25 PolarHBondContact O-N 2.57Å; W23-Y25 VanDerWaalsContact O-N 3.11Å; Y25-Q27 PolarHBondContact O-N 3.48Å; Y25-G28 PolarHBondContact O-N 3.32Å; Y25-R29 HydrophobicContact CD2-CG 4.24Å; Y25-R29 VanDerWaalsContact CE2-CZ 3.45Å; Y25-R29 PolarHBondContact O-N 3.4Å
26	L	86.3	Confident	88.4	Confident	78 Å²	78	65 Å²	65	41%	0.408	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-27.5	176.7	-67	177.7	0	0	0	112.1	W23 L24 R29 S30	W23-L26 HydrophobicContact CB-CD1 4.24Å; W23-L26 HydrophobicContact CD2-CD1 4.47Å; W23-L26 HydrophobicContact CE3-CD1 3.79Å; W23-L26 HydrophobicContact CE3-CG 4.38Å; W23-L26 VanDerWaalsContact O-CB 3.25Å; W23-L26 WeakPolarHBondContact O-CB 3.16Å; W23-L26 WeakPolarHBondContact O-CG 3.45Å; W23-L26 PolarHBondContact O-N 3.08Å; L24-L26 PolarHBondContact O-N 2.99Å; L24-L26 VanDerWaalsContact O-N 3.12Å; L26-R29 PolarHBondContact O-N 2.87Å; L26-S30 VanDerWaalsContact O-CB 3.31Å; L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 2.93Å
27	Q	85.8	Confident	89.1	Confident	78 Å²	78	64.3 Å²	64.3	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-67.2	-47.3	173.6	-60.6	-163	-26.6	0	0	111.2	L24 Y25 R29 S30 R31	L24-Q27 WeakPolarHBondContact O-CB 3.39Å; L24-Q27 PolarHBondContact O-N 2.85Å; Y25-Q27 PolarHBondContact O-N 3.48Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 3.03Å; Q27-S30 PolarHBondContact O-N 3.04Å; Q27-R31 WeakPolarHBondContact O-CB 3.37Å; Q27-R31 PolarHBondContact O-N 3.32Å
28	G	87.3	Confident	89.6	Confident	14 Å²	14	61.4 Å²	61.4	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-55.7	-44.8	172.8	0	0	0	0	0	111.5	Y25 R31 G32	Y25-G28 PolarHBondContact O-N 3.32Å; G28-R31 PolarHBondContact O-N 3.02Å; G28-G32 PolarHBondContact O-N 3.13Å
29	R	88.4	Confident	90.2	Very high	46 Å²	46	54.3 Å²	54.3	17%	0.174	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-44.3	176.5	-71.9	-173.5	178.2	179.6	1.6	113.4	Y25 L26 Q27 R31 G32 L33 G195 I230	Y25-R29 HydrophobicContact CD2-CG 4.24Å; Y25-R29 VanDerWaalsContact CE2-CZ 3.45Å; Y25-R29 PolarHBondContact O-N 3.4Å; L26-R29 PolarHBondContact O-N 2.87Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 3.03Å; R29-R31 VanDerWaalsContact C-N 3.25Å; R29-R31 PolarHBondContact O-N 3.49Å; R29-G32 PolarHBondContact O-N 2.91Å; R29-L33 WeakPolarHBondContact O-CB 3.14Å; R29-L33 PolarHBondContact O-N 3.02Å; R29-G195 PolarHBondContact NH2-O 3.36Å; R29-I230 WeakPolarHBondContact O-CD1 3.47Å
30	S	90.1	Very high	90.7	Very high	82 Å²	82	47.5 Å²	47.5	57%	0.573	23%	0.228	S	C	*	.	H	α-helix	trans	-60.5	-40.1	177.1	179.7	0	0	0	0	111	L26 Q27 M34	L26-S30 VanDerWaalsContact O-CB 3.31Å; L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 2.93Å; Q27-S30 PolarHBondContact O-N 3.04Å; S30-M34 PolarHBondContact O-N 3.13Å
31	R	91.7	Very high	91.2	Very high	57 Å²	57	44 Å²	44	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-69.7	-45.4	176.2	-179.8	175.4	170.4	99.5	5.9	112.1	Q27 G28 R29 L33 M34 I35 W202 G203 K206	Q27-R31 WeakPolarHBondContact O-CB 3.37Å; Q27-R31 PolarHBondContact O-N 3.32Å; G28-R31 PolarHBondContact O-N 3.02Å; R29-R31 VanDerWaalsContact C-N 3.25Å; R29-R31 PolarHBondContact O-N 3.49Å; R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 3.38Å; R31-M34 WeakPolarHBondContact O-CB 3.34Å; R31-M34 PolarHBondContact O-N 3.25Å; R31-M34 VanDerWaalsContact O-N 3.13Å; R31-I35 HydrophobicContact CG-CD1 4.01Å; R31-I35 WeakPolarHBondContact O-CG1 3.24Å; R31-I35 PolarHBondContact O-N 3.16Å; R31-W202 PolarHBondContact NE-O 2.99Å; R31-G203 WeakPolarHBondContact CD-O 3.1Å; R31-G203 PolarHBondContact NE-O 3.17Å; R31-K206 VanDerWaalsContact CZ-O 3.25Å; R31-K206 PolarHBondContact NH1-O 2.97Å; R31-K206 PolarHBondContact NH2-O 3.43Å
32	G	93.3	Very high	91.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.2	-45.1	174.5	0	0	0	0	0	111.5	G28 R29 M34 I35 E36	G28-G32 PolarHBondContact O-N 3.13Å; R29-G32 PolarHBondContact O-N 2.91Å; G32-M34 VanDerWaalsContact C-N 3.3Å; G32-M34 PolarHBondContact O-N 2.96Å; G32-I35 PolarHBondContact O-N 3.13Å; G32-I35 VanDerWaalsContact O-N 3.1Å; G32-E36 WeakPolarHBondContact O-CB 3.31Å; G32-E36 VanDerWaalsContact O-CG 3.24Å; G32-E36 WeakPolarHBondContact O-CG 3.11Å; G32-E36 PolarHBondContact O-N 3.05Å
33	L	93.8	Very high	92.6	Very high	54 Å²	54	33.5 Å²	33.5	28%	0.283	16%	0.162	S	C	.	.	H	α-helix	trans	-61	-38	177.5	-173.3	68.8	0	0	0	112.4	R29 R31 A37 Y192 I230	R29-L33 WeakPolarHBondContact O-CB 3.14Å; R29-L33 PolarHBondContact O-N 3.02Å; R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 3.38Å; L33-A37 WeakPolarHBondContact O-CB 3.49Å; L33-A37 PolarHBondContact O-N 3.34Å; L33-Y192 HydrophobicContact CD1-CD1 4.14Å; L33-Y192 HydrophobicContact CD1-CD2 3.42Å; L33-Y192 VanDerWaalsContact CD1-CD2 3.42Å; L33-Y192 HydrophobicContact CD1-CE2 3.93Å; L33-Y192 HydrophobicContact CD1-CG 3.53Å; L33-I230 HydrophobicContact CB-CD1 4.31Å
34	M	95.7	Very high	93.2	Very high	28 Å²	28	27.1 Å²	27.1	14%	0.138	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-44.7	174.5	-176.9	66.5	53.1	0	0	111.7	S30 R31 G32 C38 H86 L87 Q90 V208	S30-M34 PolarHBondContact O-N 3.13Å; R31-M34 WeakPolarHBondContact O-CB 3.34Å; R31-M34 PolarHBondContact O-N 3.25Å; R31-M34 VanDerWaalsContact O-N 3.13Å; G32-M34 VanDerWaalsContact C-N 3.3Å; G32-M34 PolarHBondContact O-N 2.96Å; M34-C38 PolarHBondContact O-N 2.8Å; M34-C38 VanDerWaalsContact O-N 3.07Å; M34-C38 PolarHBondContact O-SG 3Å; M34-H86 WeakPolarHBondContact CE-CD2 3.3Å; M34-L87 HydrophobicContact CE-CB 3.97Å; M34-L87 HydrophobicContact CE-CD1 4.19Å; M34-L87 HydrophobicContact SD-CB 4.07Å; M34-L87 HydrophobicContact SD-CD1 3.41Å; M34-L87 WeakPolarHBondContact SD-CD1 3.42Å; M34-L87 HydrophobicContact SD-CG 4.34Å; M34-Q90 HydrophobicContact CG-CG 4.37Å; M34-Q90 HydrophobicContact SD-CB 3.97Å; M34-Q90 HydrophobicContact SD-CG 4.04Å; M34-V208 HydrophobicContact CG-CG2 3.98Å
35	I	96.8	Very high	94	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-51.6	179.5	-66.7	166.8	0	0	0	109.5	R31 G32 A37 C38 A39 W202 V208 A211 L212 I217 T221	R31-I35 HydrophobicContact CG-CD1 4.01Å; R31-I35 WeakPolarHBondContact O-CG1 3.24Å; R31-I35 PolarHBondContact O-N 3.16Å; G32-I35 PolarHBondContact O-N 3.13Å; G32-I35 VanDerWaalsContact O-N 3.1Å; I35-A37 PolarHBondContact O-N 3.06Å; I35-C38 PolarHBondContact O-N 2.98Å; I35-A39 WeakPolarHBondContact O-CB 3.14Å; I35-A39 PolarHBondContact O-N 2.97Å; I35-W202 HydrophobicContact CB-CE3 4.41Å; I35-W202 HydrophobicContact CD1-CB 4.32Å; I35-W202 HydrophobicContact CD1-CE3 4.17Å; I35-W202 HydrophobicContact CG2-CE3 4.36Å; I35-W202 HydrophobicContact CG2-CZ3 4.28Å; I35-V208 HydrophobicContact CG1-CG2 4.46Å; I35-A211 HydrophobicContact CD1-CB 3.8Å; I35-A211 HydrophobicContact CG1-CB 4.23Å; I35-L212 HydrophobicContact CG2-CD2 3.6Å; I35-L212 HydrophobicContact CG2-CG 4.4Å; I35-I217 HydrophobicContact CD1-CG2 4.42Å; I35-I217 HydrophobicContact CG2-CG2 3.88Å; I35-T221 HydrophobicContact CG2-CG2 3.92Å
36	E	96.3	Very high	94.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-53.6	-48.2	175	-71.7	-113.8	159.4	0	0	112.4	G32 C38 A39 H40 Y192 W202 T221 I230	G32-E36 WeakPolarHBondContact O-CB 3.31Å; G32-E36 VanDerWaalsContact O-CG 3.24Å; G32-E36 WeakPolarHBondContact O-CG 3.11Å; G32-E36 PolarHBondContact O-N 3.05Å; E36-C38 PolarHBondContact O-N 3.27Å; E36-A39 PolarHBondContact O-N 3.23Å; E36-H40 WeakPolarHBondContact O-CB 3.31Å; E36-H40 PolarHBondContact O-N 3.13Å; E36-H40 PolarHBondContact O-ND1 3.44Å; E36-H40 IonicContact OE2-CE1 3.03Å; E36-H40 PolarHBondContact OE2-CE1 3.37Å; E36-H40 VanDerWaalsContact OE2-CE1 3.25Å; E36-Y192 HydrophobicContact CB-CD1 4.42Å; E36-Y192 HydrophobicContact CB-CE1 3.73Å; E36-Y192 HydrophobicContact CG-CE1 4.45Å; E36-Y192 VanDerWaalsContact OE2-CD1 3.31Å; E36-Y192 WeakPolarHBondContact OE2-CD1 3.32Å; E36-Y192 WeakPolarHBondContact OE2-CE1 3.41Å; E36-W202 HydrophobicContact CG-CH2 3.93Å; E36-W202 HydrophobicContact CG-CZ2 4.46Å; E36-W202 HydrophobicContact CG-CZ3 4.42Å; E36-W202 WeakPolarHBondContact OE1-CH2 3.15Å; E36-T221 HydrophobicContact CG-CG2 4.26Å; E36-I230 HydrophobicContact CG-CB 4.49Å; E36-I230 HydrophobicContact CG-CG2 4.09Å
37	A	97.3	Very high	95.2	Very high	4 Å²	4	18.8 Å²	18.8	3%	0.033	10%	0.099	C	C	.	.	H	α-helix	trans	-58.8	-46.7	178.6	0	0	0	0	0	111.8	L33 I35 A41 L87 F169 Y192	L33-A37 WeakPolarHBondContact O-CB 3.49Å; L33-A37 PolarHBondContact O-N 3.34Å; I35-A37 PolarHBondContact O-N 3.06Å; A37-A41 WeakPolarHBondContact O-CB 3.1Å; A37-A41 PolarHBondContact O-N 2.86Å; A37-A41 VanDerWaalsContact O-N 3.14Å; A37-L87 HydrophobicContact CB-CD1 4.02Å; A37-F169 HydrophobicContact CB-CD1 3.94Å; A37-F169 HydrophobicContact CB-CE1 3.46Å; A37-F169 VanDerWaalsContact CB-CE1 3.46Å; A37-F169 HydrophobicContact CB-CZ 4.08Å; A37-F169 WeakPolarHBondContact O-CZ 3.44Å; A37-Y192 WeakPolarHBondContact CA-OH 3.44Å
38	C	98.3	Very high	95.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.8	-37.8	178.5	-65.3	0	0	0	0	112	M34 I35 E36 T42 T94 V208	M34-C38 PolarHBondContact O-N 2.8Å; M34-C38 VanDerWaalsContact O-N 3.07Å; M34-C38 PolarHBondContact O-SG 3Å; I35-C38 PolarHBondContact O-N 2.98Å; E36-C38 PolarHBondContact O-N 3.27Å; C38-T42 WeakPolarHBondContact O-CB 3.45Å; C38-T42 PolarHBondContact O-N 3.31Å; C38-T42 PolarHBondContact O-OG1 2.78Å; C38-T94 HydrophobicContact CB-CG2 4.22Å; C38-V208 HydrophobicContact CB-CG1 3.68Å
39	A	98.3	Very high	96.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-52.8	178.5	0	0	0	0	0	111	I35 E36 A41 T42 F43 L212 T221 Y337 F341	I35-A39 WeakPolarHBondContact O-CB 3.14Å; I35-A39 PolarHBondContact O-N 2.97Å; E36-A39 PolarHBondContact O-N 3.23Å; A39-A41 PolarHBondContact O-N 3.18Å; A39-T42 WeakPolarHBondContact O-CB 3.24Å; A39-T42 PolarHBondContact O-N 2.84Å; A39-T42 VanDerWaalsContact O-N 3.13Å; A39-F43 PolarHBondContact O-N 3.44Å; A39-L212 HydrophobicContact CB-CD1 4.36Å; A39-L212 HydrophobicContact CB-CD2 3.55Å; A39-T221 HydrophobicContact CB-CG2 4.06Å; A39-Y337 WeakPolarHBondContact CB-OH 3.49Å; A39-F341 HydrophobicContact CB-CZ 4.38Å; A39-F341 WeakPolarHBondContact O-CZ 3.28Å
40	H	98.4	Very high	96.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-41.8	-179.5	-64.3	159	0	0	0	112.7	E36 F44 Y192 T221 L232 W236 Y337	E36-H40 WeakPolarHBondContact O-CB 3.31Å; E36-H40 PolarHBondContact O-N 3.13Å; E36-H40 PolarHBondContact O-ND1 3.44Å; E36-H40 IonicContact OE2-CE1 3.03Å; E36-H40 PolarHBondContact OE2-CE1 3.37Å; E36-H40 VanDerWaalsContact OE2-CE1 3.25Å; H40-F44 VanDerWaalsContact O-CB 3.27Å; H40-F44 WeakPolarHBondContact O-CB 3.48Å; H40-F44 PolarHBondContact O-N 3.35Å; H40-Y192 AromaticContact CE1-CE1 3.61Å; H40-Y192 AromaticContact ND1-CE1 3.51Å; H40-Y192 AromaticContact ND1-CZ 3.7Å; H40-Y192 PolarHBondContact ND1-OH 3.36Å; H40-Y192 VanDerWaalsContact ND1-OH 3.08Å; H40-T221 PolarHBondContact NE2-O 3.11Å; H40-L232 VanDerWaalsContact CE1-CD2 3.42Å; H40-L232 WeakPolarHBondContact CE1-CD2 3.36Å; H40-W236 HydrophobicContact CB-CH2 3.82Å; H40-W236 HydrophobicContact CB-CZ2 3.6Å; H40-W236 WeakPolarHBondContact O-CZ2 3.42Å; H40-Y337 PolarHBondContact CD2-OH 2.95Å
41	A	98.6	Very high	96.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.1	-38	174.5	0	0	0	0	0	112.6	A37 A39 F44 C45 L91 F141 F169	A37-A41 WeakPolarHBondContact O-CB 3.1Å; A37-A41 PolarHBondContact O-N 2.86Å; A37-A41 VanDerWaalsContact O-N 3.14Å; A39-A41 PolarHBondContact O-N 3.18Å; A41-F44 PolarHBondContact O-N 2.87Å; A41-C45 WeakPolarHBondContact O-CB 3.2Å; A41-C45 PolarHBondContact O-N 3.08Å; A41-C45 PolarHBondContact O-SG 3Å; A41-L91 HydrophobicContact CB-CD1 3.54Å; A41-F141 HydrophobicContact CB-CD1 4.34Å; A41-F141 HydrophobicContact CB-CE1 3.44Å; A41-F141 VanDerWaalsContact CB-CE1 3.44Å; A41-F141 HydrophobicContact CB-CZ 3.74Å; A41-F169 HydrophobicContact CB-CE2 4.34Å; A41-F169 HydrophobicContact CB-CZ 3.85Å
42	T	98.6	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.6	-47.6	177.6	-64.2	0	0	0	0	111.2	C38 A39 F44 C45 K46 T94 L98 V99 F341	C38-T42 WeakPolarHBondContact O-CB 3.45Å; C38-T42 PolarHBondContact O-N 3.31Å; C38-T42 PolarHBondContact O-OG1 2.78Å; A39-T42 WeakPolarHBondContact O-CB 3.24Å; A39-T42 PolarHBondContact O-N 2.84Å; A39-T42 VanDerWaalsContact O-N 3.13Å; T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 2.9Å; T42-C45 PolarHBondContact O-N 3.36Å; T42-K46 HydrophobicContact CG2-CD 4.28Å; T42-K46 WeakPolarHBondContact O-CG 3.33Å; T42-K46 PolarHBondContact O-N 3.25Å; T42-T94 WeakPolarHBondContact OG1-CG2 3.34Å; T42-L98 HydrophobicContact CG2-CB 3.66Å; T42-L98 HydrophobicContact CG2-CD1 4.18Å; T42-V99 HydrophobicContact CG2-CG2 4.03Å; T42-F341 HydrophobicContact CG2-CE1 3.64Å; T42-F341 HydrophobicContact CG2-CZ 3.97Å
43	F	98.5	Very high	96.3	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.013	8%	0.082	C	C	.	.	H	α-helix	trans	-57.1	-47.3	174.3	176.9	-107.8	0	0	0	111.3	A39 C45 K46 L47 W236 L237 L336 Y337 S340 F341	A39-F43 PolarHBondContact O-N 3.44Å; F43-C45 PolarHBondContact O-N 3.44Å; F43-K46 PolarHBondContact O-N 2.66Å; F43-L47 HydrophobicContact CD1-CD1 3.78Å; F43-L47 HydrophobicContact CD1-CG 4.44Å; F43-L47 HydrophobicContact CE1-CD1 3.26Å; F43-L47 HydrophobicContact CE1-CG 4.12Å; F43-L47 HydrophobicContact CE2-CD1 4.14Å; F43-L47 HydrophobicContact CE2-CD2 4.31Å; F43-L47 HydrophobicContact CE2-CG 4.15Å; F43-L47 HydrophobicContact CG-CD1 4.46Å; F43-L47 HydrophobicContact CZ-CD1 3.48Å; F43-L47 VanDerWaalsContact CZ-CD1 3.48Å; F43-L47 HydrophobicContact CZ-CD2 4.19Å; F43-L47 HydrophobicContact CZ-CG 3.97Å; F43-L47 WeakPolarHBondContact O-CG 3.5Å; F43-L47 PolarHBondContact O-N 2.99Å; F43-W236 AromaticContact CD1-CH2 3.84Å; F43-W236 HydrophobicContact CD1-CH2 3.84Å; F43-W236 HydrophobicContact CD1-CZ3 4.47Å; F43-L237 HydrophobicContact CE1-CD1 4.43Å; F43-L336 HydrophobicContact CE2-CD2 4.37Å; F43-L336 HydrophobicContact CE2-CG 4.27Å; F43-L336 HydrophobicContact CZ-CD2 4.13Å; F43-L336 HydrophobicContact CZ-CG 4.49Å; F43-Y337 HydrophobicContact CB-CD2 3.94Å; F43-Y337 HydrophobicContact CB-CE2 3.65Å; F43-Y337 AromaticContact CD1-CD2 3.86Å; F43-Y337 HydrophobicContact CD1-CD2 3.86Å; F43-Y337 HydrophobicContact CD1-CE2 4.2Å; F43-Y337 AromaticContact CD2-CD2 3.56Å; F43-Y337 HydrophobicContact CD2-CD2 3.56Å; F43-Y337 HydrophobicContact CD2-CE2 4.18Å; F43-Y337 HydrophobicContact CD2-CG 4.31Å; F43-Y337 HydrophobicContact CE1-CD2 4.17Å; F43-Y337 AromaticContact CE2-CD2 3.94Å; F43-Y337 HydrophobicContact CE2-CD2 3.94Å; F43-Y337 HydrophobicContact CE2-CG 4.47Å; F43-Y337 AromaticContact CG-CD2 3.5Å; F43-Y337 HydrophobicContact CG-CD2 3.5Å; F43-Y337 VanDerWaalsContact CG-CD2 3.5Å; F43-Y337 AromaticContact CG-CE2 3.75Å; F43-Y337 HydrophobicContact CG-CE2 3.75Å; F43-Y337 HydrophobicContact CZ-CD2 4.21Å; F43-S340 WeakPolarHBondContact CD2-OG 3.31Å; F43-F341 HydrophobicContact CB-CE2 4.22Å; F43-F341 HydrophobicContact CB-CZ 4.38Å
44	F	98.6	Very high	96.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.8	-48.1	177	-179.3	-114.1	0	0	0	112.4	H40 A41 T42 K46 L47 L48 V139 I165 Y167 L188 W236 V240 A243	H40-F44 VanDerWaalsContact O-CB 3.27Å; H40-F44 WeakPolarHBondContact O-CB 3.48Å; H40-F44 PolarHBondContact O-N 3.35Å; A41-F44 PolarHBondContact O-N 2.87Å; T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 2.9Å; F44-K46 PolarHBondContact O-N 3.11Å; F44-L47 PolarHBondContact O-N 3.13Å; F44-L48 HydrophobicContact CD1-CD1 4.33Å; F44-L48 HydrophobicContact CD2-CG 4.49Å; F44-L48 HydrophobicContact CE1-CD1 3.64Å; F44-L48 HydrophobicContact CE1-CG 4.39Å; F44-L48 HydrophobicContact CE2-CD1 4.03Å; F44-L48 HydrophobicContact CE2-CD2 4.32Å; F44-L48 HydrophobicContact CE2-CG 4.13Å; F44-L48 HydrophobicContact CZ-CD1 3.48Å; F44-L48 VanDerWaalsContact CZ-CD1 3.48Å; F44-L48 HydrophobicContact CZ-CG 4.1Å; F44-L48 WeakPolarHBondContact O-CG 3.37Å; F44-L48 PolarHBondContact O-N 3.11Å; F44-V139 HydrophobicContact CE1-CG1 4.11Å; F44-V139 HydrophobicContact CE1-CG2 4.22Å; F44-I165 HydrophobicContact CE1-CG2 4.14Å; F44-I165 HydrophobicContact CZ-CD1 4Å; F44-I165 HydrophobicContact CZ-CG2 3.93Å; F44-Y167 HydrophobicContact CB-CE2 4.32Å; F44-Y167 AromaticContact CD1-CD2 3.74Å; F44-Y167 HydrophobicContact CD1-CD2 3.74Å; F44-Y167 HydrophobicContact CD1-CE2 4.04Å; F44-Y167 AromaticContact CE1-CD2 4Å; F44-Y167 HydrophobicContact CE1-CD2 4Å; F44-Y167 HydrophobicContact CG-CD2 4.34Å; F44-Y167 HydrophobicContact CG-CE2 4.2Å; F44-L188 HydrophobicContact CD2-CD2 3.98Å; F44-L188 HydrophobicContact CE1-CD2 4.41Å; F44-L188 HydrophobicContact CE2-CD2 3.75Å; F44-L188 HydrophobicContact CG-CD2 4.38Å; F44-L188 HydrophobicContact CZ-CD2 3.96Å; F44-W236 HydrophobicContact CB-CZ2 4.4Å; F44-V240 HydrophobicContact CD2-CB 4.33Å; F44-V240 HydrophobicContact CD2-CG1 3.99Å; F44-V240 HydrophobicContact CD2-CG2 3.8Å; F44-V240 HydrophobicContact CE2-CG1 4.41Å; F44-V240 HydrophobicContact CE2-CG2 4.32Å; F44-A243 HydrophobicContact CE2-CB 4.06Å; F44-A243 HydrophobicContact CZ-CB 4.27Å
45	C	98.4	Very high	95.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.7	-39.5	177.1	-78.4	0	0	0	0	112.9	A41 T42 F43 L48 Y49 F77 L95 V99	A41-C45 WeakPolarHBondContact O-CB 3.2Å; A41-C45 PolarHBondContact O-N 3.08Å; A41-C45 PolarHBondContact O-SG 3Å; T42-C45 PolarHBondContact O-N 3.36Å; F43-C45 PolarHBondContact O-N 3.44Å; C45-L48 PolarHBondContact O-N 2.93Å; C45-Y49 VanDerWaalsContact O-CB 3.3Å; C45-Y49 WeakPolarHBondContact O-CB 3.07Å; C45-Y49 PolarHBondContact O-N 3.41Å; C45-F77 HydrophobicContact CB-CE1 4Å; C45-F77 HydrophobicContact CB-CZ 4.36Å; C45-F77 WeakPolarHBondContact O-CE1 3.43Å; C45-L95 HydrophobicContact CB-CD2 3.97Å; C45-V99 HydrophobicContact CB-CG1 4.17Å; C45-V99 HydrophobicContact CB-CG2 3.85Å
46	K	97.5	Very high	95.1	Very high	20 Å²	20	15.2 Å²	15.2	9%	0.087	8%	0.08	C	C	.	.	H	α-helix	trans	-60.5	-45.6	174.3	-76.6	176.7	175	178.4	0	111.8	T42 F43 F44 L48 Y49 N50 L98 V99 S340	T42-K46 HydrophobicContact CG2-CD 4.28Å; T42-K46 WeakPolarHBondContact O-CG 3.33Å; T42-K46 PolarHBondContact O-N 3.25Å; F43-K46 PolarHBondContact O-N 2.66Å; F44-K46 PolarHBondContact O-N 3.11Å; K46-L48 PolarHBondContact O-N 3.26Å; K46-Y49 PolarHBondContact O-N 3.34Å; K46-N50 WeakPolarHBondContact O-CB 3.48Å; K46-N50 VanDerWaalsContact O-CG 3.24Å; K46-N50 PolarHBondContact O-N 3.03Å; K46-L98 WeakPolarHBondContact CE-O 3.31Å; K46-L98 PolarHBondContact NZ-O 3.29Å; K46-V99 HydrophobicContact CG-CG2 4.23Å; K46-S340 WeakPolarHBondContact CD-O 3.41Å; K46-S340 WeakPolarHBondContact CE-O 3.31Å; K46-S340 PolarHBondContact NZ-O 3.35Å
47	L	96.9	Very high	94.4	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-45.7	177	-73.6	176.6	0	0	0	111.8	F43 F44 N50 L51 V240 L265 F266 L336	F43-L47 HydrophobicContact CD1-CD1 3.78Å; F43-L47 HydrophobicContact CD1-CG 4.44Å; F43-L47 HydrophobicContact CE1-CD1 3.26Å; F43-L47 HydrophobicContact CE1-CG 4.12Å; F43-L47 HydrophobicContact CE2-CD1 4.14Å; F43-L47 HydrophobicContact CE2-CD2 4.31Å; F43-L47 HydrophobicContact CE2-CG 4.15Å; F43-L47 HydrophobicContact CG-CD1 4.46Å; F43-L47 HydrophobicContact CZ-CD1 3.48Å; F43-L47 VanDerWaalsContact CZ-CD1 3.48Å; F43-L47 HydrophobicContact CZ-CD2 4.19Å; F43-L47 HydrophobicContact CZ-CG 3.97Å; F43-L47 WeakPolarHBondContact O-CG 3.5Å; F43-L47 PolarHBondContact O-N 2.99Å; F44-L47 PolarHBondContact O-N 3.13Å; L47-N50 PolarHBondContact O-N 3.28Å; L47-L51 VanDerWaalsContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 2.89Å; L47-V240 HydrophobicContact CD1-CG1 3.54Å; L47-L265 HydrophobicContact CD2-CD1 3.99Å; L47-L265 HydrophobicContact CD2-CD2 4.5Å; L47-L265 HydrophobicContact CD2-CG 4Å; L47-F266 HydrophobicContact CD1-CE1 3.57Å; L47-F266 HydrophobicContact CD1-CZ 3.98Å; L47-F266 HydrophobicContact CD2-CD1 4.44Å; L47-F266 HydrophobicContact CD2-CE1 4.11Å; L47-F266 HydrophobicContact CD2-CZ 4.49Å; L47-F266 HydrophobicContact CG-CE1 4.48Å; L47-L336 HydrophobicContact CD2-CD2 4.25Å
48	L	96.2	Very high	93.1	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-69.2	-35.6	179.6	-66.1	-164.7	0	0	0	113	F44 C45 K46 L51 R52 F77 V139 I165 I247	F44-L48 HydrophobicContact CD1-CD1 4.33Å; F44-L48 HydrophobicContact CD2-CG 4.49Å; F44-L48 HydrophobicContact CE1-CD1 3.64Å; F44-L48 HydrophobicContact CE1-CG 4.39Å; F44-L48 HydrophobicContact CE2-CD1 4.03Å; F44-L48 HydrophobicContact CE2-CD2 4.32Å; F44-L48 HydrophobicContact CE2-CG 4.13Å; F44-L48 HydrophobicContact CZ-CD1 3.48Å; F44-L48 VanDerWaalsContact CZ-CD1 3.48Å; F44-L48 HydrophobicContact CZ-CG 4.1Å; F44-L48 WeakPolarHBondContact O-CG 3.37Å; F44-L48 PolarHBondContact O-N 3.11Å; C45-L48 PolarHBondContact O-N 2.93Å; K46-L48 PolarHBondContact O-N 3.26Å; L48-L51 HydrophobicContact CD2-CD2 4.27Å; L48-R52 WeakPolarHBondContact O-CG 3.46Å; L48-R52 PolarHBondContact O-N 2.81Å; L48-F77 HydrophobicContact CB-CE2 3.94Å; L48-F77 HydrophobicContact CB-CZ 3.87Å; L48-F77 HydrophobicContact CD1-CE2 4.31Å; L48-F77 HydrophobicContact CD1-CZ 4.4Å; L48-V139 HydrophobicContact CD1-CG2 3.65Å; L48-I165 HydrophobicContact CD1-CD1 3.73Å; L48-I247 HydrophobicContact CD1-CD1 4.07Å; L48-I247 HydrophobicContact CD2-CD1 3.45Å; L48-I247 VanDerWaalsContact CD2-CD1 3.45Å; L48-I247 HydrophobicContact CG-CD1 4.3Å
49	Y	95.6	Very high	91.6	Very high	81 Å²	81	29.1 Å²	29.1	32%	0.318	15%	0.147	S	C	.	.	H	α-helix	trans	-60.1	-51.6	171.5	173.9	-89.4	0	0	0	110.9	C45 K46 L51 R52 A53 F77 P100 I101	C45-Y49 VanDerWaalsContact O-CB 3.3Å; C45-Y49 WeakPolarHBondContact O-CB 3.07Å; C45-Y49 PolarHBondContact O-N 3.41Å; K46-Y49 PolarHBondContact O-N 3.34Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; Y49-L51 PolarHBondContact O-N 3.21Å; Y49-R52 PolarHBondContact O-N 3.48Å; Y49-R52 VanDerWaalsContact O-N 3.17Å; Y49-A53 PolarHBondContact O-N 3.13Å; Y49-F77 HydrophobicContact CD2-CB 4.45Å; Y49-F77 HydrophobicContact CD2-CD1 4.46Å; Y49-P100 HydrophobicContact CD1-CG 3.42Å; Y49-P100 VanDerWaalsContact CD1-CG 3.42Å; Y49-P100 HydrophobicContact CD2-CG 4.32Å; Y49-P100 HydrophobicContact CE1-CB 4.09Å; Y49-P100 HydrophobicContact CE1-CG 3.32Å; Y49-P100 HydrophobicContact CE2-CG 4.22Å; Y49-P100 WeakPolarHBondContact CE2-O 3.39Å; Y49-P100 HydrophobicContact CG-CG 3.94Å; Y49-I101 HydrophobicContact CD2-CG2 3.85Å; Y49-I101 HydrophobicContact CE2-CG2 4.34Å
50	N	94.4	Very high	89.8	Confident	73 Å²	73	33 Å²	33	39%	0.39	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-42.8	178.9	-70.4	-12.2	0	0	0	111.4	K46 L47 R52 A53 S54 L265	K46-N50 WeakPolarHBondContact O-CB 3.48Å; K46-N50 VanDerWaalsContact O-CG 3.24Å; K46-N50 PolarHBondContact O-N 3.03Å; L47-N50 PolarHBondContact O-N 3.28Å; N50-R52 VanDerWaalsContact C-N 3.32Å; N50-R52 PolarHBondContact O-N 2.92Å; N50-A53 PolarHBondContact O-N 3.24Å; N50-S54 PolarHBondContact O-N 2.9Å; N50-S54 PolarHBondContact O-OG 3.2Å; N50-L265 HydrophobicContact CB-CD1 3.66Å
51	L	94	Very high	87.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.3	-47.1	175	-178.9	67	0	0	0	111.2	L47 L48 Y49 S54 L55 A244 I247 L261 L265	L47-L51 VanDerWaalsContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 2.89Å; L48-L51 HydrophobicContact CD2-CD2 4.27Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; Y49-L51 PolarHBondContact O-N 3.21Å; L51-S54 PolarHBondContact O-N 3.09Å; L51-L55 HydrophobicContact CD1-CD1 4.35Å; L51-L55 HydrophobicContact CG-CD1 3.94Å; L51-L55 WeakPolarHBondContact O-CB 3.37Å; L51-L55 WeakPolarHBondContact O-CD1 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.02Å; L51-A244 HydrophobicContact CD2-CB 3.9Å; L51-I247 HydrophobicContact CD2-CB 4.04Å; L51-I247 HydrophobicContact CD2-CD1 4.02Å; L51-I247 HydrophobicContact CD2-CG2 3.88Å; L51-L261 HydrophobicContact CD1-CD1 4.38Å; L51-L261 HydrophobicContact CD1-CD2 3.45Å; L51-L261 VanDerWaalsContact CD1-CD2 3.45Å; L51-L261 HydrophobicContact CD1-CG 3.8Å; L51-L265 HydrophobicContact CB-CD2 4Å; L51-L265 HydrophobicContact CD1-CD2 4.08Å
52	R	91.4	Very high	85.8	Confident	30 Å²	30	43.6 Å²	43.6	11%	0.113	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-40.4	178.4	-77.1	-177	172.7	-133.1	-3.2	112.6	L48 Y49 N50 L55 N56 D138	L48-R52 WeakPolarHBondContact O-CG 3.46Å; L48-R52 PolarHBondContact O-N 2.81Å; Y49-R52 PolarHBondContact O-N 3.48Å; Y49-R52 VanDerWaalsContact O-N 3.17Å; N50-R52 VanDerWaalsContact C-N 3.32Å; N50-R52 PolarHBondContact O-N 2.92Å; R52-L55 PolarHBondContact O-N 3.35Å; R52-N56 PolarHBondContact O-N 3.32Å; R52-N56 PolarHBondContact O-ND2 3.21Å; R52-N56 PolarHBondContact O-OD1 2.75Å; R52-D138 IonicContact CZ-OD1 3.25Å; R52-D138 IonicContact CZ-OD2 3.24Å; R52-D138 VanDerWaalsContact NH1-CG 3.25Å; R52-D138 IonicContact NH1-OD1 3.25Å; R52-D138 PolarHBondContact NH1-OD1 3.03Å; R52-D138 IonicContact NH1-OD2 2.8Å; R52-D138 PolarHBondContact NH1-OD2 3.24Å; R52-D138 IonicContact NH2-OD1 2.63Å; R52-D138 PolarHBondContact NH2-OD1 3.26Å; R52-D138 IonicContact NH2-OD2 3.78Å; R52-D138 PolarHBondContact NH2-OD2 3.44Å
53	A	89.8	Confident	83.5	Confident	35 Å²	35	50.8 Å²	50.8	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-57.5	-51.9	175.3	0	0	0	0	0	110.8	Y49 N50 L55 N56 E57	Y49-A53 PolarHBondContact O-N 3.13Å; N50-A53 PolarHBondContact O-N 3.24Å; A53-L55 VanDerWaalsContact C-N 3.31Å; A53-L55 PolarHBondContact O-N 2.75Å; A53-N56 PolarHBondContact O-N 3.04Å; A53-N56 VanDerWaalsContact O-N 3.13Å; A53-E57 PolarHBondContact O-N 3.36Å
54	S	89.7	Confident	81.1	Confident	31 Å²	31	58.2 Å²	58.2	22%	0.217	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-35.2	177.6	-57.5	0	0	0	0	113.2	N50 L51 N58	N50-S54 PolarHBondContact O-N 2.9Å; N50-S54 PolarHBondContact O-OG 3.2Å; L51-S54 PolarHBondContact O-N 3.09Å; S54-N58 WeakPolarHBondContact O-CB 3.33Å; S54-N58 PolarHBondContact O-N 2.84Å; S54-N58 PolarHBondContact O-ND2 3.25Å
55	L	87.4	Confident	78.7	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-67.7	-35.9	176.1	-70.5	165.6	0	0	0	112.2	L51 R52 A53 Q59 I247 R251 M253 L261	L51-L55 HydrophobicContact CD1-CD1 4.35Å; L51-L55 HydrophobicContact CG-CD1 3.94Å; L51-L55 WeakPolarHBondContact O-CB 3.37Å; L51-L55 WeakPolarHBondContact O-CD1 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.02Å; R52-L55 PolarHBondContact O-N 3.35Å; A53-L55 VanDerWaalsContact C-N 3.31Å; A53-L55 PolarHBondContact O-N 2.75Å; L55-Q59 WeakPolarHBondContact O-CG 3.17Å; L55-Q59 PolarHBondContact O-N 3.06Å; L55-I247 HydrophobicContact CD1-CG2 4.08Å; L55-R251 VanDerWaalsContact CB-NH1 3.3Å; L55-M253 HydrophobicContact CD2-CE 4.31Å; L55-M253 HydrophobicContact CD2-SD 3.61Å; L55-L261 HydrophobicContact CD2-CD2 3.7Å; L55-L261 HydrophobicContact CG-CD2 4.07Å
56	N	83.7	Confident	76.2	Confident	25 Å²	25	69.6 Å²	69.6	13%	0.134	36%	0.363	C	S	.	.	H	α-helix	trans	-75.6	-36	179.9	-65.8	-12.5	0	0	0	111.9	R52 A53 N58 Q59 S60 R251	R52-N56 PolarHBondContact O-N 3.32Å; R52-N56 PolarHBondContact O-ND2 3.21Å; R52-N56 PolarHBondContact O-OD1 2.75Å; A53-N56 PolarHBondContact O-N 3.04Å; A53-N56 VanDerWaalsContact O-N 3.13Å; N56-N58 VanDerWaalsContact C-N 3.34Å; N56-Q59 PolarHBondContact O-N 3.44Å; N56-S60 PolarHBondContact O-N 3.15Å; N56-S60 PolarHBondContact O-OG 3.1Å; N56-R251 PolarHBondContact OD1-NH1 3.32Å
57	E	80.6	Confident	73.7	Confident	135 Å²	135	76 Å²	76	63%	0.631	40%	0.399	S	S	*	.	H	α-helix	trans	-60.1	-44.6	172.1	-73	175.8	-179.1	0	0	111.4	A53 Q59 S60 S61	A53-E57 PolarHBondContact O-N 3.36Å; E57-Q59 VanDerWaalsContact C-N 3.28Å; E57-Q59 PolarHBondContact O-N 3.27Å; E57-S60 PolarHBondContact O-N 3.07Å; E57-S61 PolarHBondContact O-N 2.69Å; E57-S61 VanDerWaalsContact O-N 3.1Å; E57-S61 PolarHBondContact O-OG 3.15Å
58	N	70.4	Confident	71	Confident	71 Å²	71	80 Å²	80	38%	0.38	43%	0.427	S	S	.	.	H	α-helix	trans	-66.8	-24.8	177.5	-78.3	-47.6	0	0	0	114.1	S54 N56 S61 R62	S54-N58 WeakPolarHBondContact O-CB 3.33Å; S54-N58 PolarHBondContact O-N 2.84Å; S54-N58 PolarHBondContact O-ND2 3.25Å; N56-N58 VanDerWaalsContact C-N 3.34Å; N58-S61 PolarHBondContact O-OG 2.83Å; N58-S61 VanDerWaalsContact O-OG 3.09Å; N58-R62 WeakPolarHBondContact O-CG 3.49Å
59	Q	67.2	Low	68.3	Low	91 Å²	91	88.6 Å²	88.6	43%	0.425	47%	0.472	S	S	.	.	H	α-helix	trans	-80.4	-39.3	173.4	-74.4	176.3	-1.8	0	0	111.7	L55 N56 E57 S61 R62 H63	L55-Q59 WeakPolarHBondContact O-CG 3.17Å; L55-Q59 PolarHBondContact O-N 3.06Å; N56-Q59 PolarHBondContact O-N 3.44Å; E57-Q59 VanDerWaalsContact C-N 3.28Å; E57-Q59 PolarHBondContact O-N 3.27Å; Q59-S61 VanDerWaalsContact C-N 3.31Å; Q59-S61 PolarHBondContact O-N 2.93Å; Q59-R62 PolarHBondContact O-N 3.34Å; Q59-R62 VanDerWaalsContact O-N 3.12Å; Q59-H63 PolarHBondContact O-N 3.41Å
60	S	59.8	Low	65.6	Low	81 Å²	81	91.2 Å²	91.2	57%	0.566	49%	0.491	S	S	*	.	H	α-helix	trans	-64.6	-36.3	179	-56.5	0	0	0	0	111.8	N56 E57 R62	N56-S60 PolarHBondContact O-N 3.15Å; N56-S60 PolarHBondContact O-OG 3.1Å; E57-S60 PolarHBondContact O-N 3.07Å; S60-R62 VanDerWaalsContact C-N 3.32Å; S60-R62 PolarHBondContact O-N 3.02Å
61	S	58.6	Low	62.9	Low	73 Å²	73	93.2 Å²	93.2	51%	0.51	51%	0.511	S	S	.	.	H	α-helix	trans	-69	-26.5	174	62.6	0	0	0	0	113.6	E57 N58 Q59	E57-S61 PolarHBondContact O-N 2.69Å; E57-S61 VanDerWaalsContact O-N 3.1Å; E57-S61 PolarHBondContact O-OG 3.15Å; N58-S61 PolarHBondContact O-OG 2.83Å; N58-S61 VanDerWaalsContact O-OG 3.09Å; Q59-S61 VanDerWaalsContact C-N 3.31Å; Q59-S61 PolarHBondContact O-N 2.93Å
62	R	54.2	Low	60.3	Low	150 Å²	150	97.7 Å²	97.7	57%	0.566	55%	0.549	S	S	*	.	H	α-helix	trans	-83.1	-28.8	176.5	-70.3	178.9	-173.8	-175.7	6.4	113.5	N58 Q59 S60 L64	N58-R62 WeakPolarHBondContact O-CG 3.49Å; Q59-R62 PolarHBondContact O-N 3.34Å; Q59-R62 VanDerWaalsContact O-N 3.12Å; S60-R62 VanDerWaalsContact C-N 3.32Å; S60-R62 PolarHBondContact O-N 3.02Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 3.14Å
63	H	50.4	Low	58.2	Low	152 Å²	152	101.8 Å²	101.8	70%	0.704	58%	0.577	S	S	*	*			trans	-86.3	8.2	-176.9	-94.1	-72.4	0	0	0	115.3	Q59 S65	Q59-H63 PolarHBondContact O-N 3.41Å; H63-S65 PolarHBondContact O-N 3.02Å
64	L	49.1	Very low	56.7	Low	158 Å²	158	104.7 Å²	104.7	83%	0.827	59%	0.593	S	S	*	*			trans	-71.3	13.4	172.3	-75.7	166.5	0	0	0	114.4	R62	R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 3.14Å
65	S	46.6	Very low	55.7	Low	87 Å²	87	109 Å²	109	61%	0.608	61%	0.61	S	S	*	*	S	Bend	trans	-121.2	105.2	171	52.8	0	0	0	0	111.1	H63	H63-S65 PolarHBondContact O-N 3.02Å
66	I	47.4	Very low	55.6	Low	152 Å²	152	112.6 Å²	112.6	78%	0.779	63%	0.626	S	S	*	*	S	Bend	trans	62.8	110.1	156.2	-53.6	176.1	0	0	0	117
67	D	44.5	Very low	56.2	Low	156 Å²	156	111.9 Å²	111.9	83%	0.834	62%	0.622	S	S	*	*			trans	60.9	89.7	154.8	-59.6	-22.8	0	0	0	119.6
68	S	39.6	Very low	57	Low	90 Å²	90	108.5 Å²	108.5	63%	0.629	61%	0.605	S	S	*	*			trans	-156.9	103.7	145	172.1	0	0	0	0	111.4	N70	S68-N70 PolarHBondContact O-N 3.42Å; S68-N70 PolarHBondContact OG-N 2.98Å
69	L	40.8	Very low	58.3	Low	183 Å²	183	105.1 Å²	105.1	96%	0.958	59%	0.587	S	S	*	*			trans	-76.7	24.9	170.3	-105.1	152.3	0	0	0	113.2
70	N	38	Very low	59.8	Low	136 Å²	136	100.8 Å²	100.8	73%	0.727	57%	0.567	S	S	*	*			trans	-99.4	102.2	168.2	-70.4	-30.4	0	0	0	108.1	S68 A72	S68-N70 PolarHBondContact O-N 3.42Å; S68-N70 PolarHBondContact OG-N 2.98Å; N70-A72 VanDerWaalsContact C-N 3.26Å; N70-A72 PolarHBondContact O-N 2.94Å
71	S	37.8	Very low	61.7	Low	115 Å²	115	97 Å²	97	80%	0.804	54%	0.54	S	S	*	.			trans	-59.4	87.9	170.8	60.9	0	0	0	0	109.7	T73	S71-T73 PolarHBondContact O-N 3.2Å
72	A	39.9	Very low	63.6	Low	95 Å²	95	93.6 Å²	93.6	79%	0.785	52%	0.516	S	S	*	.			trans	-68.4	101.4	162.5	0	0	0	0	0	105.9	N70	N70-A72 VanDerWaalsContact C-N 3.26Å; N70-A72 PolarHBondContact O-N 2.94Å
73	T	47.6	Very low	65.7	Low	115 Å²	115	87 Å²	87	71%	0.706	50%	0.495	S	S	*	.			trans	-53	136.8	163.3	47.1	0	0	0	0	107.1	S71 E75	S71-T73 PolarHBondContact O-N 3.2Å; T73-E75 PolarHBondContact O-N 3.22Å
74	P	57.8	Low	67.8	Low	96 Å²	96	80.2 Å²	80.2	62%	0.623	47%	0.466	S	S	*	.			trans	-46.1	132.2	176.7	-25.4	32.2	0	0	0	109.5	E76	P74-E76 PolarHBondContact O-N 3.44Å
75	E	69.3	Low	70.1	Confident	123 Å²	123	74.5 Å²	74.5	58%	0.575	45%	0.445	S	S	*	.			trans	-56.5	103.7	179.4	-80	-171	159.8	0	0	109.4	T73 F77 R251	T73-E75 PolarHBondContact O-N 3.22Å; E75-F77 PolarHBondContact O-N 3.02Å; E75-R251 IonicContact OE2-CZ 3.58Å; E75-R251 IonicContact OE2-NH2 2.73Å; E75-R251 PolarHBondContact OE2-NH2 3.05Å
76	E	85.3	Confident	72.3	Confident	80 Å²	80	76.9 Å²	76.9	37%	0.374	45%	0.446	S	S	.	.			trans	-62.3	133.8	-176.2	-164.6	-173.7	-175.7	0	0	109.7	P74 K78 P102 S105	P74-E76 PolarHBondContact O-N 3.44Å; E76-K78 PolarHBondContact O-N 2.53Å; E76-P102 WeakPolarHBondContact OE1-CG 3.46Å; E76-S105 WeakPolarHBondContact CG-OG 3.43Å; E76-S105 PolarHBondContact OE1-OG 3.37Å
77	F	94.3	Very high	74.7	Confident	10 Å²	10	71.3 Å²	71.3	4%	0.044	42%	0.418	C	S	.	.			trans	-78.6	109.7	179.7	174.9	-126.4	0	0	0	110.6	C45 L48 Y49 E75 V79 I101 S105 D138 V139	C45-F77 HydrophobicContact CB-CE1 4Å; C45-F77 HydrophobicContact CB-CZ 4.36Å; C45-F77 WeakPolarHBondContact O-CE1 3.43Å; L48-F77 HydrophobicContact CB-CE2 3.94Å; L48-F77 HydrophobicContact CB-CZ 3.87Å; L48-F77 HydrophobicContact CD1-CE2 4.31Å; L48-F77 HydrophobicContact CD1-CZ 4.4Å; Y49-F77 HydrophobicContact CD2-CB 4.45Å; Y49-F77 HydrophobicContact CD2-CD1 4.46Å; E75-F77 PolarHBondContact O-N 3.02Å; F77-V79 HydrophobicContact CD1-CG2 4.18Å; F77-V79 HydrophobicContact CE1-CG2 3.62Å; F77-V79 HydrophobicContact CE2-CG2 4.45Å; F77-V79 HydrophobicContact CZ-CG2 3.79Å; F77-I101 HydrophobicContact CB-CG2 4.47Å; F77-I101 HydrophobicContact CD1-CG2 3.77Å; F77-S105 WeakPolarHBondContact O-CB 3.47Å; F77-S105 PolarHBondContact O-OG 3.38Å; F77-D138 HydrophobicContact CD2-CB 4.26Å; F77-D138 HydrophobicContact CE2-CB 4.3Å; F77-V139 HydrophobicContact CE2-CG2 3.68Å; F77-V139 HydrophobicContact CZ-CB 4.49Å; F77-V139 HydrophobicContact CZ-CG2 3.83Å
78	K	97.6	Very high	77.2	Confident	65 Å²	65	63.9 Å²	63.9	28%	0.283	38%	0.378	S	S	.	.			trans	-103.2	127.6	-170	-65.2	160.5	-174	169.5	0	111.8	E76 W136 D138 V139	E76-K78 PolarHBondContact O-N 2.53Å; K78-W136 HydrophobicContact CB-CD2 4.21Å; K78-W136 HydrophobicContact CB-CE3 4.26Å; K78-W136 HydrophobicContact CB-CH2 3.72Å; K78-W136 HydrophobicContact CB-CZ2 3.66Å; K78-W136 HydrophobicContact CB-CZ3 4.02Å; K78-W136 HydrophobicContact CD-CD2 4.21Å; K78-W136 HydrophobicContact CD-CG 4.39Å; K78-W136 HydrophobicContact CD-CZ2 4.08Å; K78-W136 WeakPolarHBondContact CD-O 3.36Å; K78-W136 HydrophobicContact CG-CD2 4.39Å; K78-W136 HydrophobicContact CG-CH2 4.1Å; K78-W136 HydrophobicContact CG-CZ2 3.52Å; K78-D138 PolarHBondContact N-OD2 2.76Å; K78-D138 WeakPolarHBondContact O-CB 3.2Å; K78-D138 PolarHBondContact O-N 3.2Å; K78-V139 PolarHBondContact O-N 2.97Å
79	V	98.7	Very high	79.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.7	-178.6	-177.9	0	0	0	0	110.6	F77 L95 I101 S105 L106 R107 W136 F141	F77-V79 HydrophobicContact CD1-CG2 4.18Å; F77-V79 HydrophobicContact CE1-CG2 3.62Å; F77-V79 HydrophobicContact CE2-CG2 4.45Å; F77-V79 HydrophobicContact CZ-CG2 3.79Å; V79-L95 HydrophobicContact CG1-CD1 4Å; V79-I101 HydrophobicContact CG2-CD1 4.08Å; V79-S105 PolarHBondContact N-O 3.12Å; V79-L106 HydrophobicContact CB-CD1 3.94Å; V79-L106 HydrophobicContact CG1-CD1 3.8Å; V79-L106 WeakPolarHBondContact O-CA 3.38Å; V79-R107 PolarHBondContact O-N 2.85Å; V79-W136 WeakPolarHBondContact O-CZ3 3.42Å; V79-F141 HydrophobicContact CG1-CD2 3.68Å; V79-F141 HydrophobicContact CG1-CE2 3.51Å
80	G	98.8	Very high	82.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.2	175.9	0	0	0	0	0	112	R107 V139 I140 F141	G80-R107 CarbonylContact C-O 3.53Å; G80-R107 WeakPolarHBondContact CA-O 3.29Å; G80-V139 PolarHBondContact N-O 3.43Å; G80-I140 CarbonylContact O-C 3.58Å; G80-I140 WeakPolarHBondContact O-CA 3.28Å; G80-F141 PolarHBondContact O-N 3.29Å
81	I	98.9	Very high	85.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.8	173.5	-56.5	174.1	0	0	0	109.2	L91 A92 L95 L106 R107 I108 S109 L133 F141 C143	I81-L91 HydrophobicContact CD1-CD2 4.19Å; I81-L91 HydrophobicContact CD1-CG 4.21Å; I81-L91 HydrophobicContact CG1-CD2 4.47Å; I81-A92 HydrophobicContact CD1-CB 3.76Å; I81-L95 HydrophobicContact CD1-CD1 4.44Å; I81-L106 HydrophobicContact CD1-CD1 4Å; I81-L106 HydrophobicContact CG1-CD1 4.29Å; I81-R107 PolarHBondContact N-O 3.44Å; I81-I108 HydrophobicContact CB-CG1 4.23Å; I81-I108 HydrophobicContact CB-CG2 4.44Å; I81-I108 HydrophobicContact CD1-CG1 4.41Å; I81-I108 CarbonylContact O-C 3.35Å; I81-I108 WeakPolarHBondContact O-CA 3.44Å; I81-S109 PolarHBondContact O-N 3.34Å; I81-L133 WeakPolarHBondContact O-CD1 3.48Å; I81-F141 HydrophobicContact CG1-CB 4.2Å; I81-F141 HydrophobicContact CG1-CD2 4.26Å; I81-C143 HydrophobicContact CG2-CB 4.09Å
82	I	98.7	Very high	88.4	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.9	169.6	-62.5	177.3	0	0	0	108.6	N130 L133 V134 I140 F141 L142 C143 C144 I152 I156	I82-N130 HydrophobicContact CD1-CB 4.05Å; I82-L133 HydrophobicContact CD1-CD2 4.43Å; I82-L133 HydrophobicContact CG1-CD2 3.89Å; I82-V134 HydrophobicContact CD1-CG1 3.73Å; I82-I140 HydrophobicContact CD1-CG2 3.99Å; I82-I140 HydrophobicContact CG1-CG2 4.24Å; I82-F141 PolarHBondContact N-O 3.15Å; I82-L142 HydrophobicContact CB-CD2 4.18Å; I82-L142 HydrophobicContact CD1-CD2 3.88Å; I82-L142 HydrophobicContact CG1-CD2 4.44Å; I82-C143 CarbonylContact O-C 3.08Å; I82-C143 WeakPolarHBondContact O-CA 3.25Å; I82-C143 PolarHBondContact O-N 3.23Å; I82-C144 PolarHBondContact O-N 2.98Å; I82-I152 HydrophobicContact CD1-CG2 4.2Å; I82-I152 HydrophobicContact CG2-CD1 4.01Å; I82-I152 HydrophobicContact CG2-CG2 4.03Å; I82-I156 HydrophobicContact CD1-CD1 4.02Å; I82-I156 HydrophobicContact CD1-CG2 4.21Å
83	G	97.9	Very high	91.1	Very high	12 Å²	12	41.9 Å²	41.9	12%	0.124	23%	0.231	C	C	.	.			trans	109.2	101.2	179	0	0	0	0	0	113.2	G85 G88 S109	G83-G85 PolarHBondContact O-N 2.86Å; G83-G85 VanDerWaalsContact O-N 3.16Å; G83-G88 WeakPolarHBondContact O-CA 3.03Å; G83-S109 PolarHBondContact N-O 2.88Å
84	G	96.3	Very high	93.5	Very high	9 Å²	9	36.4 Å²	36.4	9%	0.093	20%	0.197	C	C	.	.			trans	-84.6	35	175.9	0	0	0	0	0	114.4	K89 T110	G84-K89 WeakPolarHBondContact O-CE 3.38Å; G84-T110 PolarHBondContact N-OG1 3.36Å
85	G	95.5	Very high	95.5	Very high	38 Å²	38	31.9 Å²	31.9	39%	0.392	17%	0.167	S	C	.	.	S	Bend	trans	-76.2	-160.7	177.4	0	0	0	0	0	112.7	G83 K89	G83-G85 PolarHBondContact O-N 2.86Å; G83-G85 VanDerWaalsContact O-N 3.16Å; G85-K89 WeakPolarHBondContact O-CB 3.43Å; G85-K89 VanDerWaalsContact O-CG 3.25Å; G85-K89 WeakPolarHBondContact O-CG 3.42Å; G85-K89 PolarHBondContact O-N 3.21Å
86	H	94.4	Very high	96.8	Very high	136 Å²	136	27.4 Å²	27.4	63%	0.63	15%	0.147	S	C	*	.	H	α-helix	trans	-59.3	-52.9	179.9	-173.4	61	0	0	0	112.2	M34 K89 Q90	M34-H86 WeakPolarHBondContact CE-CD2 3.3Å; H86-K89 PolarHBondContact O-N 3.43Å; H86-Q90 WeakPolarHBondContact O-CG 3.5Å; H86-Q90 PolarHBondContact O-N 3.31Å; H86-Q90 VanDerWaalsContact O-N 3.16Å
87	L	96.3	Very high	97.3	Very high	35 Å²	35	29.4 Å²	29.4	18%	0.183	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-48.8	176.8	176	61.1	0	0	0	112.5	M34 A37 K89 Q90 L91 F169	M34-L87 HydrophobicContact CE-CB 3.97Å; M34-L87 HydrophobicContact CE-CD1 4.19Å; M34-L87 HydrophobicContact SD-CB 4.07Å; M34-L87 HydrophobicContact SD-CD1 3.41Å; M34-L87 WeakPolarHBondContact SD-CD1 3.42Å; M34-L87 HydrophobicContact SD-CG 4.34Å; A37-L87 HydrophobicContact CB-CD1 4.02Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 2.94Å; L87-Q90 PolarHBondContact O-N 3.07Å; L87-L91 VanDerWaalsContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 2.73Å; L87-F169 HydrophobicContact CD2-CB 3.54Å; L87-F169 HydrophobicContact CD2-CD1 4.3Å; L87-F169 HydrophobicContact CD2-CD2 3.9Å; L87-F169 HydrophobicContact CD2-CG 3.68Å
88	G	97.9	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-38.2	-178.8	0	0	0	0	0	113.4	G83 A92	G83-G88 WeakPolarHBondContact O-CA 3.03Å; G88-A92 VanDerWaalsContact O-CB 3.27Å; G88-A92 WeakPolarHBondContact O-CB 3.37Å; G88-A92 PolarHBondContact O-N 2.78Å
89	K	97.2	Very high	97.4	Very high	82 Å²	82	27.7 Å²	27.7	36%	0.357	15%	0.151	S	C	.	.	H	α-helix	trans	-65.8	-47.3	174.6	-74.5	174	174.2	-169.8	0	112.4	G84 G85 H86 L87 A92 G93 A115 L116 L119	G84-K89 WeakPolarHBondContact O-CE 3.38Å; G85-K89 WeakPolarHBondContact O-CB 3.43Å; G85-K89 VanDerWaalsContact O-CG 3.25Å; G85-K89 WeakPolarHBondContact O-CG 3.42Å; G85-K89 PolarHBondContact O-N 3.21Å; H86-K89 PolarHBondContact O-N 3.43Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 2.94Å; K89-A92 PolarHBondContact O-N 3Å; K89-G93 PolarHBondContact O-N 3.17Å; K89-G93 VanDerWaalsContact O-N 3.1Å; K89-A115 PolarHBondContact NZ-O 3.31Å; K89-L116 HydrophobicContact CD-CD2 4.09Å; K89-L116 HydrophobicContact CG-CD2 3.84Å; K89-L119 HydrophobicContact CG-CD1 4.26Å
90	Q	97.4	Very high	97.2	Very high	60 Å²	60	31 Å²	31	28%	0.28	17%	0.173	S	C	.	.	H	α-helix	trans	-64	-43.7	178.8	-66.5	-56.2	-46.7	0	0	111	M34 H86 L87 G93 T94 V208	M34-Q90 HydrophobicContact CG-CG 4.37Å; M34-Q90 HydrophobicContact SD-CB 3.97Å; M34-Q90 HydrophobicContact SD-CG 4.04Å; H86-Q90 WeakPolarHBondContact O-CG 3.5Å; H86-Q90 PolarHBondContact O-N 3.31Å; H86-Q90 VanDerWaalsContact O-N 3.16Å; L87-Q90 PolarHBondContact O-N 3.07Å; Q90-G93 PolarHBondContact O-N 3.36Å; Q90-T94 WeakPolarHBondContact O-CB 3.48Å; Q90-T94 PolarHBondContact O-N 2.79Å; Q90-T94 PolarHBondContact O-OG1 3.05Å; Q90-V208 HydrophobicContact CB-CG2 4.21Å; Q90-V208 HydrophobicContact CG-CG2 4.17Å
91	L	98.6	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-49.2	177.8	179.8	63.1	0	0	0	111.1	A41 I81 L87 G93 T94 L95 F141 F169	A41-L91 HydrophobicContact CB-CD1 3.54Å; I81-L91 HydrophobicContact CD1-CD2 4.19Å; I81-L91 HydrophobicContact CD1-CG 4.21Å; I81-L91 HydrophobicContact CG1-CD2 4.47Å; L87-L91 VanDerWaalsContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 2.73Å; L91-G93 PolarHBondContact O-N 2.95Å; L91-T94 PolarHBondContact O-N 3.16Å; L91-T94 VanDerWaalsContact O-N 3.17Å; L91-L95 HydrophobicContact CD1-CD1 3.91Å; L91-L95 HydrophobicContact CD1-CD2 4.28Å; L91-L95 HydrophobicContact CD1-CG 3.87Å; L91-L95 HydrophobicContact CD2-CD1 4.47Å; L91-L95 HydrophobicContact CG-CD1 3.82Å; L91-L95 HydrophobicContact CG-CG 4.19Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 3.5Å; L91-F141 HydrophobicContact CD2-CB 3.87Å; L91-F141 HydrophobicContact CD2-CD1 3.86Å; L91-F141 HydrophobicContact CD2-CD2 4.06Å; L91-F141 HydrophobicContact CD2-CE1 4.43Å; L91-F141 HydrophobicContact CD2-CG 3.66Å; L91-F169 HydrophobicContact CD2-CE2 3.84Å
92	A	98.3	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-47	178.5	0	0	0	0	0	112.4	I81 G88 K89 T94 L95 L96 L106 I108 L119 I124	I81-A92 HydrophobicContact CD1-CB 3.76Å; G88-A92 VanDerWaalsContact O-CB 3.27Å; G88-A92 WeakPolarHBondContact O-CB 3.37Å; G88-A92 PolarHBondContact O-N 2.78Å; K89-A92 PolarHBondContact O-N 3Å; A92-T94 VanDerWaalsContact C-N 3.34Å; A92-T94 PolarHBondContact O-N 3.13Å; A92-L95 PolarHBondContact O-N 3.38Å; A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 PolarHBondContact O-N 3.31Å; A92-L106 HydrophobicContact CB-CD2 4.21Å; A92-L106 WeakPolarHBondContact O-CD2 3.34Å; A92-I108 HydrophobicContact CB-CD1 3.58Å; A92-I108 HydrophobicContact CB-CG1 4.47Å; A92-L119 HydrophobicContact CB-CD1 4.08Å; A92-L119 HydrophobicContact CB-CD2 4.46Å; A92-I124 HydrophobicContact CB-CD1 4.32Å
93	G	97.3	Very high	96.7	Very high	16 Å²	16	34.6 Å²	34.6	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-40.1	176.5	0	0	0	0	0	112.7	K89 Q90 L91 Q97	K89-G93 PolarHBondContact O-N 3.17Å; K89-G93 VanDerWaalsContact O-N 3.1Å; Q90-G93 PolarHBondContact O-N 3.36Å; L91-G93 PolarHBondContact O-N 2.95Å; G93-Q97 WeakPolarHBondContact O-CB 3.39Å; G93-Q97 VanDerWaalsContact O-CG 3.27Å; G93-Q97 WeakPolarHBondContact O-CG 3.28Å; G93-Q97 PolarHBondContact O-N 3.17Å
94	T	97.8	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.1	-45.9	178.8	-54.7	0	0	0	0	111.2	C38 T42 Q90 L91 A92 Q97 L98 I209 L212	C38-T94 HydrophobicContact CB-CG2 4.22Å; T42-T94 WeakPolarHBondContact OG1-CG2 3.34Å; Q90-T94 WeakPolarHBondContact O-CB 3.48Å; Q90-T94 PolarHBondContact O-N 2.79Å; Q90-T94 PolarHBondContact O-OG1 3.05Å; L91-T94 PolarHBondContact O-N 3.16Å; L91-T94 VanDerWaalsContact O-N 3.17Å; A92-T94 VanDerWaalsContact C-N 3.34Å; A92-T94 PolarHBondContact O-N 3.13Å; T94-Q97 PolarHBondContact O-N 3.2Å; T94-L98 HydrophobicContact CG2-CD1 3.61Å; T94-L98 HydrophobicContact CG2-CG 4.25Å; T94-L98 VanDerWaalsContact O-CB 3.31Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 WeakPolarHBondContact O-CG 3.43Å; T94-L98 PolarHBondContact O-N 3.27Å; T94-I209 HydrophobicContact CG2-CG1 4.45Å; T94-L212 HydrophobicContact CG2-CD1 3.7Å
95	L	98.4	Very high	96.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-46.1	178.6	-68.5	175.3	0	0	0	111.4	C45 V79 I81 L91 A92 Q97 L98 V99 L106 F141	C45-L95 HydrophobicContact CB-CD2 3.97Å; V79-L95 HydrophobicContact CG1-CD1 4Å; I81-L95 HydrophobicContact CD1-CD1 4.44Å; L91-L95 HydrophobicContact CD1-CD1 3.91Å; L91-L95 HydrophobicContact CD1-CD2 4.28Å; L91-L95 HydrophobicContact CD1-CG 3.87Å; L91-L95 HydrophobicContact CD2-CD1 4.47Å; L91-L95 HydrophobicContact CG-CD1 3.82Å; L91-L95 HydrophobicContact CG-CG 4.19Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 3.5Å; A92-L95 PolarHBondContact O-N 3.38Å; L95-Q97 PolarHBondContact O-N 3.1Å; L95-L98 PolarHBondContact O-N 3.5Å; L95-V99 HydrophobicContact CB-CG2 4.39Å; L95-V99 HydrophobicContact CD2-CG2 3.69Å; L95-V99 WeakPolarHBondContact O-CA 3.46Å; L95-V99 VanDerWaalsContact O-CB 3.25Å; L95-V99 WeakPolarHBondContact O-CB 3.43Å; L95-V99 PolarHBondContact O-N 2.85Å; L95-L106 HydrophobicContact CB-CD2 4.4Å; L95-L106 HydrophobicContact CD1-CD1 4.36Å; L95-F141 HydrophobicContact CD1-CD2 4.34Å; L95-F141 HydrophobicContact CD1-CE2 3.9Å
96	L	97	Very high	96.7	Very high	30 Å²	30	37.4 Å²	37.4	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-35.6	178.8	-177.8	67.1	0	0	0	112.7	A92 A103 L106 L122 I124	A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 PolarHBondContact O-N 3.31Å; L96-A103 HydrophobicContact CD1-CB 3.83Å; L96-L106 HydrophobicContact CB-CD2 4.3Å; L96-L122 HydrophobicContact CD2-CB 3.77Å; L96-L122 HydrophobicContact CD2-CD1 4.03Å; L96-L122 HydrophobicContact CD2-CG 4.42Å; L96-I124 HydrophobicContact CB-CD1 4.47Å; L96-I124 HydrophobicContact CD2-CD1 4Å; L96-I124 HydrophobicContact CD2-CG1 4.32Å
97	Q	96.3	Very high	96.9	Very high	121 Å²	121	33.6 Å²	33.6	57%	0.565	17%	0.174	S	C	*	.	H	α-helix	trans	-88.6	-31.9	-175.4	-71.1	-70.1	-18.7	0	0	113.3	G93 T94 L95 I209	G93-Q97 WeakPolarHBondContact O-CB 3.39Å; G93-Q97 VanDerWaalsContact O-CG 3.27Å; G93-Q97 WeakPolarHBondContact O-CG 3.28Å; G93-Q97 PolarHBondContact O-N 3.17Å; T94-Q97 PolarHBondContact O-N 3.2Å; L95-Q97 PolarHBondContact O-N 3.1Å; Q97-I209 HydrophobicContact CB-CD1 3.98Å; Q97-I209 HydrophobicContact CB-CG1 4.47Å; Q97-I209 HydrophobicContact CG-CD1 3.79Å
98	L	96.9	Very high	97	Very high	34 Å²	34	32 Å²	32	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-106.7	-26.4	-171.2	-60.1	-174.6	0	0	0	113.1	T42 K46 T94 L95 I209 L212 F341	T42-L98 HydrophobicContact CG2-CB 3.66Å; T42-L98 HydrophobicContact CG2-CD1 4.18Å; K46-L98 WeakPolarHBondContact CE-O 3.31Å; K46-L98 PolarHBondContact NZ-O 3.29Å; T94-L98 HydrophobicContact CG2-CD1 3.61Å; T94-L98 HydrophobicContact CG2-CG 4.25Å; T94-L98 VanDerWaalsContact O-CB 3.31Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 WeakPolarHBondContact O-CG 3.43Å; T94-L98 PolarHBondContact O-N 3.27Å; L95-L98 PolarHBondContact O-N 3.5Å; L98-I209 HydrophobicContact CD2-CG2 4.36Å; L98-L212 HydrophobicContact CD1-CB 4.34Å; L98-L212 HydrophobicContact CD1-CD1 3.93Å; L98-F341 HydrophobicContact CD1-CD1 4.03Å; L98-F341 HydrophobicContact CD1-CE1 4Å
99	V	96.8	Very high	97	Very high	5 Å²	5	32 Å²	32	3%	0.03	17%	0.165	C	C	.	.	S	Bend	trans	-94.4	135.4	177.9	-172.5	0	0	0	0	108.6	T42 C45 K46 L95 I101	T42-V99 HydrophobicContact CG2-CG2 4.03Å; C45-V99 HydrophobicContact CB-CG1 4.17Å; C45-V99 HydrophobicContact CB-CG2 3.85Å; K46-V99 HydrophobicContact CG-CG2 4.23Å; L95-V99 HydrophobicContact CB-CG2 4.39Å; L95-V99 HydrophobicContact CD2-CG2 3.69Å; L95-V99 WeakPolarHBondContact O-CA 3.46Å; L95-V99 VanDerWaalsContact O-CB 3.25Å; L95-V99 WeakPolarHBondContact O-CB 3.43Å; L95-V99 PolarHBondContact O-N 2.85Å; V99-I101 HydrophobicContact CB-CG1 4.14Å; V99-I101 HydrophobicContact CG1-CD1 4.36Å; V99-I101 HydrophobicContact CG1-CG1 4.07Å; V99-I101 HydrophobicContact CG1-CG2 4.01Å; V99-I101 PolarHBondContact O-N 3.31Å
100	P	94	Very high	97.1	Very high	70 Å²	70	29.1 Å²	29.1	46%	0.455	16%	0.155	S	C	.	.	S	Bend	trans	-75.6	52.5	-179.8	34.2	-39.9	0	0	0	112.6	Y49	Y49-P100 HydrophobicContact CD1-CG 3.42Å; Y49-P100 VanDerWaalsContact CD1-CG 3.42Å; Y49-P100 HydrophobicContact CD2-CG 4.32Å; Y49-P100 HydrophobicContact CE1-CB 4.09Å; Y49-P100 HydrophobicContact CE1-CG 3.32Å; Y49-P100 HydrophobicContact CE2-CG 4.22Å; Y49-P100 WeakPolarHBondContact CE2-O 3.39Å; Y49-P100 HydrophobicContact CG-CG 3.94Å
101	I	94.3	Very high	97	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.067	17%	0.171	C	C	.	.			trans	-111.8	145.9	173.9	55.9	175.3	0	0	0	110.5	Y49 F77 V79 V99	Y49-I101 HydrophobicContact CD2-CG2 3.85Å; Y49-I101 HydrophobicContact CE2-CG2 4.34Å; F77-I101 HydrophobicContact CB-CG2 4.47Å; F77-I101 HydrophobicContact CD1-CG2 3.77Å; V79-I101 HydrophobicContact CG2-CD1 4.08Å; V99-I101 HydrophobicContact CB-CG1 4.14Å; V99-I101 HydrophobicContact CG1-CD1 4.36Å; V99-I101 HydrophobicContact CG1-CG1 4.07Å; V99-I101 HydrophobicContact CG1-CG2 4.01Å; V99-I101 PolarHBondContact O-N 3.31Å
102	P	95	Very high	96.8	Very high	52 Å²	52	42.2 Å²	42.2	34%	0.338	20%	0.202	S	C	.	.			trans	-71.5	163.5	174	34	-38	0	0	0	111.3	E76 E104 S105	E76-P102 WeakPolarHBondContact OE1-CG 3.46Å; P102-E104 VanDerWaalsContact C-N 3.27Å; P102-E104 VanDerWaalsContact CB-CD 3.49Å; P102-E104 HydrophobicContact CB-CG 4.04Å; P102-E104 WeakPolarHBondContact CB-OE1 3.35Å; P102-E104 HydrophobicContact CG-CG 3.99Å; P102-E104 PolarHBondContact O-N 3.34Å; P102-S105 VanDerWaalsContact O-CB 3.28Å; P102-S105 WeakPolarHBondContact O-CB 3.4Å; P102-S105 PolarHBondContact O-N 2.91Å; P102-S105 VanDerWaalsContact O-N 3.13Å
103	A	96.3	Very high	96.8	Very high	14 Å²	14	43.5 Å²	43.5	12%	0.116	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64.4	-33.1	-176.5	0	0	0	0	0	112.6	L96 S105 L106 L122	L96-A103 HydrophobicContact CD1-CB 3.83Å; A103-S105 PolarHBondContact O-N 3.46Å; A103-L106 PolarHBondContact O-N 2.94Å; A103-L106 VanDerWaalsContact O-O 3.08Å; A103-L122 WeakPolarHBondContact CB-O 3.4Å
104	E	95.2	Very high	96.7	Very high	118 Å²	118	48.9 Å²	48.9	55%	0.551	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-64.2	-24	176	52.1	-92.4	-153.1	0	0	114.1	P102 L106	P102-E104 VanDerWaalsContact C-N 3.27Å; P102-E104 VanDerWaalsContact CB-CD 3.49Å; P102-E104 HydrophobicContact CB-CG 4.04Å; P102-E104 WeakPolarHBondContact CB-OE1 3.35Å; P102-E104 HydrophobicContact CG-CG 3.99Å; P102-E104 PolarHBondContact O-N 3.34Å; E104-L106 PolarHBondContact O-N 2.81Å
105	S	96.9	Very high	96.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-76.5	-3.5	171.4	-85.3	0	0	0	0	113.6	E76 F77 V79 P102 A103 W136	E76-S105 WeakPolarHBondContact CG-OG 3.43Å; E76-S105 PolarHBondContact OE1-OG 3.37Å; F77-S105 WeakPolarHBondContact O-CB 3.47Å; F77-S105 PolarHBondContact O-OG 3.38Å; V79-S105 PolarHBondContact N-O 3.12Å; P102-S105 VanDerWaalsContact O-CB 3.28Å; P102-S105 WeakPolarHBondContact O-CB 3.4Å; P102-S105 PolarHBondContact O-N 2.91Å; P102-S105 VanDerWaalsContact O-N 3.13Å; A103-S105 PolarHBondContact O-N 3.46Å; S105-W136 WeakPolarHBondContact O-CH2 3.41Å
106	L	98.3	Very high	96.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.4	177.8	-176	59.5	0	0	0	110.8	V79 I81 A92 L95 L96 A103 E104 I124	V79-L106 HydrophobicContact CB-CD1 3.94Å; V79-L106 HydrophobicContact CG1-CD1 3.8Å; V79-L106 WeakPolarHBondContact O-CA 3.38Å; I81-L106 HydrophobicContact CD1-CD1 4Å; I81-L106 HydrophobicContact CG1-CD1 4.29Å; A92-L106 HydrophobicContact CB-CD2 4.21Å; A92-L106 WeakPolarHBondContact O-CD2 3.34Å; L95-L106 HydrophobicContact CB-CD2 4.4Å; L95-L106 HydrophobicContact CD1-CD1 4.36Å; L96-L106 HydrophobicContact CB-CD2 4.3Å; A103-L106 PolarHBondContact O-N 2.94Å; A103-L106 VanDerWaalsContact O-O 3.08Å; E104-L106 PolarHBondContact O-N 2.81Å; L106-I124 HydrophobicContact CB-CG1 4.5Å; L106-I124 HydrophobicContact CD2-CD1 3.68Å; L106-I124 HydrophobicContact CD2-CG1 4.11Å; L106-I124 HydrophobicContact CG-CD1 4.37Å; L106-I124 HydrophobicContact CG-CG1 4.41Å; L106-I124 HydrophobicContact CG-CG2 4.22Å; L106-I124 WeakPolarHBondContact O-CG2 3.42Å
107	R	98.6	Very high	96.5	Very high	56 Å²	56	51.1 Å²	51.1	21%	0.211	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.2	179.7	-64.7	-170.5	-174.4	171.5	1.9	112.2	V79 G80 I81 K125 F127 L133 W136	V79-R107 PolarHBondContact O-N 2.85Å; G80-R107 CarbonylContact C-O 3.53Å; G80-R107 WeakPolarHBondContact CA-O 3.29Å; I81-R107 PolarHBondContact N-O 3.44Å; R107-K125 WeakPolarHBondContact CA-O 3.48Å; R107-K125 HydrophobicContact CG-CB 4.13Å; R107-F127 HydrophobicContact CB-CE1 4.07Å; R107-F127 HydrophobicContact CG-CE1 4.47Å; R107-L133 HydrophobicContact CB-CD1 4.27Å; R107-W136 HydrophobicContact CB-CE3 4.26Å; R107-W136 HydrophobicContact CB-CH2 4.02Å; R107-W136 HydrophobicContact CB-CZ3 3.63Å; R107-W136 HydrophobicContact CG-CE3 4.08Å; R107-W136 HydrophobicContact CG-CH2 3.41Å; R107-W136 VanDerWaalsContact CG-CH2 3.41Å; R107-W136 HydrophobicContact CG-CZ2 3.96Å; R107-W136 HydrophobicContact CG-CZ3 3.48Å; R107-W136 VanDerWaalsContact CG-CZ3 3.48Å; R107-W136 VanDerWaalsContact CZ-NE1 3.25Å; R107-W136 VanDerWaalsContact NH1-CD1 3.27Å; R107-W136 VanDerWaalsContact NH1-CG 3.25Å
108	I	98.8	Very high	96.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.2	176.8	-50.6	179	0	0	0	109.9	I81 A92 L116 L119 I124 K125 C126 F127	I81-I108 HydrophobicContact CB-CG1 4.23Å; I81-I108 HydrophobicContact CB-CG2 4.44Å; I81-I108 HydrophobicContact CD1-CG1 4.41Å; I81-I108 CarbonylContact O-C 3.35Å; I81-I108 WeakPolarHBondContact O-CA 3.44Å; A92-I108 HydrophobicContact CB-CD1 3.58Å; A92-I108 HydrophobicContact CB-CG1 4.47Å; I108-L116 HydrophobicContact CB-CD1 4.13Å; I108-L116 HydrophobicContact CD1-CD1 4.06Å; I108-L116 HydrophobicContact CG2-CD1 3.74Å; I108-L119 HydrophobicContact CD1-CD1 3.61Å; I108-I124 HydrophobicContact CD1-CG2 4.05Å; I108-I124 HydrophobicContact CG1-CG2 3.93Å; I108-K125 PolarHBondContact N-O 2.85Å; I108-C126 WeakPolarHBondContact O-CA 3.43Å; I108-F127 PolarHBondContact O-N 3.03Å
109	S	98.6	Very high	96.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.1	166.3	-177.5	0	0	0	0	109.4	I81 G83 F127 H129 N130	I81-S109 PolarHBondContact O-N 3.34Å; G83-S109 PolarHBondContact N-O 2.88Å; S109-F127 CarbonylContact C-O 3.57Å; S109-F127 VanDerWaalsContact CA-O 3.26Å; S109-F127 WeakPolarHBondContact CA-O 3.36Å; S109-H129 PolarHBondContact OG-N 3.03Å; S109-H129 VanDerWaalsContact OG-N 3.13Å; S109-N130 VanDerWaalsContact CB-OD1 3.28Å; S109-N130 WeakPolarHBondContact CB-OD1 3.4Å; S109-N130 PolarHBondContact OG-OD1 2.84Å
110	T	97.6	Very high	96.5	Very high	22 Å²	22	54.4 Å²	54.4	14%	0.135	27%	0.27	C	S	.	.			trans	-153	151.8	179.6	-172.3	0	0	0	0	110.5	G84 R112 P113 L116 F127 Y128	G84-T110 PolarHBondContact N-OG1 3.36Å; T110-R112 PolarHBondContact O-N 3.03Å; T110-P113 HydrophobicContact CG2-CB 4.31Å; T110-P113 WeakPolarHBondContact O-CD 3.44Å; T110-L116 HydrophobicContact CG2-CD1 3.63Å; T110-L116 HydrophobicContact CG2-CG 4.14Å; T110-F127 PolarHBondContact N-O 3Å; T110-Y128 WeakPolarHBondContact O-CB 3.37Å
111	R	95.9	Very high	96.6	Very high	167 Å²	167	58.6 Å²	58.6	63%	0.63	28%	0.281	S	S	*	.	S	Bend	trans	-61.5	-25.8	-179.1	-68	-175.7	-66.3	167.2	4.5	114.5	Y128 Q148	R111-Y128 HydrophobicContact CG-CD2 4.43Å; R111-Y128 HydrophobicContact CG-CE1 4.14Å; R111-Y128 HydrophobicContact CG-CE2 3.85Å; R111-Q148 VanDerWaalsContact NH2-NE2 3.12Å
112	R	95.6	Very high	96.7	Very high	169 Å²	169	62.5 Å²	62.5	64%	0.638	30%	0.301	S	S	*	.			trans	-127.7	70.2	-177.1	-70.9	-167	-62.6	171.1	-0.3	110.3	T110 E114 A115	T110-R112 PolarHBondContact O-N 3.03Å; R112-E114 WeakPolarHBondContact CA-OE1 3.27Å; R112-E114 VanDerWaalsContact CA-OE2 3.23Å; R112-E114 WeakPolarHBondContact CA-OE2 3.45Å; R112-E114 WeakPolarHBondContact CB-OE1 3.38Å; R112-E114 VanDerWaalsContact CG-OE1 3.3Å; R112-E114 WeakPolarHBondContact CG-OE1 3.44Å; R112-E114 PolarHBondContact O-N 3.31Å; R112-A115 HydrophobicContact CB-CB 4.24Å; R112-A115 WeakPolarHBondContact O-CB 3.45Å; R112-A115 PolarHBondContact O-N 2.69Å; R112-A115 VanDerWaalsContact O-N 3.16Å
113	P	96.8	Very high	96.8	Very high	27 Å²	27	62.1 Å²	62.1	18%	0.175	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-62.4	-28.3	-177.9	26.9	-34.6	0	0	0	112.5	T110 A115 L116 C126	T110-P113 HydrophobicContact CG2-CB 4.31Å; T110-P113 WeakPolarHBondContact O-CD 3.44Å; P113-A115 PolarHBondContact O-N 3.45Å; P113-L116 WeakPolarHBondContact O-CB 3.3Å; P113-L116 PolarHBondContact O-N 2.92Å; P113-C126 HydrophobicContact CB-CB 4.28Å
114	E	96.3	Very high	96.9	Very high	128 Å²	128	61.5 Å²	61.5	60%	0.598	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59.6	-26.1	174.8	72.5	-72.5	170.6	0	0	113.1	R112 L116	R112-E114 WeakPolarHBondContact CA-OE1 3.27Å; R112-E114 VanDerWaalsContact CA-OE2 3.23Å; R112-E114 WeakPolarHBondContact CA-OE2 3.45Å; R112-E114 WeakPolarHBondContact CB-OE1 3.38Å; R112-E114 VanDerWaalsContact CG-OE1 3.3Å; R112-E114 WeakPolarHBondContact CG-OE1 3.44Å; R112-E114 PolarHBondContact O-N 3.31Å; E114-L116 PolarHBondContact O-N 3.15Å
115	A	95.4	Very high	97	Very high	48 Å²	48	61.4 Å²	61.4	40%	0.397	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-77.4	1.3	175.8	0	0	0	0	0	113.7	K89 R112 P113	K89-A115 PolarHBondContact NZ-O 3.31Å; R112-A115 HydrophobicContact CB-CB 4.24Å; R112-A115 WeakPolarHBondContact O-CB 3.45Å; R112-A115 PolarHBondContact O-N 2.69Å; R112-A115 VanDerWaalsContact O-N 3.16Å; P113-A115 PolarHBondContact O-N 3.45Å
116	L	96.8	Very high	97.1	Very high	6 Å²	6	62 Å²	62	3%	0.031	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-110.8	22.9	179.3	-53.6	-169	0	0	0	112.7	K89 I108 T110 P113 E114 E118 L119 Q120 C126	K89-L116 HydrophobicContact CD-CD2 4.09Å; K89-L116 HydrophobicContact CG-CD2 3.84Å; I108-L116 HydrophobicContact CB-CD1 4.13Å; I108-L116 HydrophobicContact CD1-CD1 4.06Å; I108-L116 HydrophobicContact CG2-CD1 3.74Å; T110-L116 HydrophobicContact CG2-CD1 3.63Å; T110-L116 HydrophobicContact CG2-CG 4.14Å; P113-L116 WeakPolarHBondContact O-CB 3.3Å; P113-L116 PolarHBondContact O-N 2.92Å; E114-L116 PolarHBondContact O-N 3.15Å; L116-E118 PolarHBondContact O-N 3.15Å; L116-E118 VanDerWaalsContact O-N 3.09Å; L116-L119 HydrophobicContact CD2-CD1 4.45Å; L116-L119 PolarHBondContact O-N 3.37Å; L116-Q120 PolarHBondContact O-N 2.9Å; L116-C126 HydrophobicContact CB-CB 4.19Å; L116-C126 HydrophobicContact CD1-CB 3.97Å
117	G	96.3	Very high	97.1	Very high	24 Å²	24	63.7 Å²	63.7	25%	0.247	31%	0.311	C	S	.	.	H	α-helix	trans	-50.2	-38.6	-175.8	0	0	0	0	0	114.8	L119 Q120 K121	G117-L119 PolarHBondContact O-N 3.24Å; G117-Q120 PolarHBondContact O-N 2.83Å; G117-K121 VanDerWaalsContact O-CG 3.32Å; G117-K121 WeakPolarHBondContact O-CG 3.37Å; G117-K121 PolarHBondContact O-N 3.35Å
118	E	95.7	Very high	97.1	Very high	130 Å²	130	67.2 Å²	67.2	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-64.7	-36.1	176.5	-61.7	-53.3	114.6	0	0	113.2	L116 K121 L122	L116-E118 PolarHBondContact O-N 3.15Å; L116-E118 VanDerWaalsContact O-N 3.09Å; E118-K121 IonicContact OE1-NZ 3.67Å; E118-K121 PolarHBondContact OE1-NZ 3.3Å; E118-K121 IonicContact OE2-NZ 3.47Å; E118-L122 WeakPolarHBondContact O-CG 3.33Å; E118-L122 PolarHBondContact O-N 2.94Å
119	L	96.6	Very high	97	Very high	17 Å²	17	71 Å²	71	9%	0.089	34%	0.343	C	S	.	.	H	α-helix	trans	-74.9	-36.2	176.1	-63.5	176.3	0	0	0	111.3	K89 A92 I108 L116 G117 K121 L122 G123 I124	K89-L119 HydrophobicContact CG-CD1 4.26Å; A92-L119 HydrophobicContact CB-CD1 4.08Å; A92-L119 HydrophobicContact CB-CD2 4.46Å; I108-L119 HydrophobicContact CD1-CD1 3.61Å; L116-L119 HydrophobicContact CD2-CD1 4.45Å; L116-L119 PolarHBondContact O-N 3.37Å; G117-L119 PolarHBondContact O-N 3.24Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.05Å; L119-L122 HydrophobicContact CD2-CD1 4.46Å; L119-L122 WeakPolarHBondContact O-CB 3.45Å; L119-L122 PolarHBondContact O-N 3.15Å; L119-L122 VanDerWaalsContact O-N 3.12Å; L119-G123 PolarHBondContact O-N 3.21Å; L119-I124 HydrophobicContact CB-CB 4.37Å; L119-I124 HydrophobicContact CB-CD1 4.14Å; L119-I124 HydrophobicContact CD2-CD1 4.03Å; L119-I124 WeakPolarHBondContact O-CB 3.47Å; L119-I124 PolarHBondContact O-N 2.99Å; L119-I124 VanDerWaalsContact O-N 3.16Å
120	Q	97.2	Very high	97	Very high	81 Å²	81	71.3 Å²	71.3	38%	0.379	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-39.8	174.6	-68.8	175.6	-37	0	0	111.9	L116 G117 L122 G123 I124 C126	L116-Q120 PolarHBondContact O-N 2.9Å; G117-Q120 PolarHBondContact O-N 2.83Å; Q120-L122 PolarHBondContact O-N 3.4Å; Q120-G123 PolarHBondContact O-N 3.37Å; Q120-I124 WeakPolarHBondContact CA-O 3.42Å; Q120-C126 HydrophobicContact CG-CB 3.76Å; Q120-C126 PolarHBondContact NE2-O 3.29Å
121	K	97.4	Very high	97	Very high	159 Å²	159	71 Å²	71	69%	0.691	34%	0.344	S	S	*	.	H	α-helix	trans	-61.3	-27.4	173.4	-72.8	171.1	-173.4	169.9	0	113	G117 E118 L119 G123	G117-K121 VanDerWaalsContact O-CG 3.32Å; G117-K121 WeakPolarHBondContact O-CG 3.37Å; G117-K121 PolarHBondContact O-N 3.35Å; E118-K121 IonicContact OE1-NZ 3.67Å; E118-K121 PolarHBondContact OE1-NZ 3.3Å; E118-K121 IonicContact OE2-NZ 3.47Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.05Å; K121-G123 PolarHBondContact O-N 3.48Å
122	L	96.4	Very high	97.1	Very high	94 Å²	94	67.1 Å²	67.1	49%	0.492	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	4.8	174.2	-63.5	172.2	0	0	0	113.1	L96 A103 E118 L119 Q120	L96-L122 HydrophobicContact CD2-CB 3.77Å; L96-L122 HydrophobicContact CD2-CD1 4.03Å; L96-L122 HydrophobicContact CD2-CG 4.42Å; A103-L122 WeakPolarHBondContact CB-O 3.4Å; E118-L122 WeakPolarHBondContact O-CG 3.33Å; E118-L122 PolarHBondContact O-N 2.94Å; L119-L122 HydrophobicContact CD2-CD1 4.46Å; L119-L122 WeakPolarHBondContact O-CB 3.45Å; L119-L122 PolarHBondContact O-N 3.15Å; L119-L122 VanDerWaalsContact O-N 3.12Å; Q120-L122 PolarHBondContact O-N 3.4Å
123	G	96.9	Very high	97.2	Very high	44 Å²	44	59 Å²	59	45%	0.454	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-3.5	178.2	0	0	0	0	0	114.9	L119 Q120 K121 K125	L119-G123 PolarHBondContact O-N 3.21Å; Q120-G123 PolarHBondContact O-N 3.37Å; K121-G123 PolarHBondContact O-N 3.48Å; G123-K125 PolarHBondContact O-N 2.91Å
124	I	97.9	Very high	97.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	30%	0.297	C	S	.	.			trans	-73	120.8	-179.8	-60.7	172.2	0	0	0	109.6	A92 L96 L106 I108 L119 Q120 C126	A92-I124 HydrophobicContact CB-CD1 4.32Å; L96-I124 HydrophobicContact CB-CD1 4.47Å; L96-I124 HydrophobicContact CD2-CD1 4Å; L96-I124 HydrophobicContact CD2-CG1 4.32Å; L106-I124 HydrophobicContact CB-CG1 4.5Å; L106-I124 HydrophobicContact CD2-CD1 3.68Å; L106-I124 HydrophobicContact CD2-CG1 4.11Å; L106-I124 HydrophobicContact CG-CD1 4.37Å; L106-I124 HydrophobicContact CG-CG1 4.41Å; L106-I124 HydrophobicContact CG-CG2 4.22Å; L106-I124 WeakPolarHBondContact O-CG2 3.42Å; I108-I124 HydrophobicContact CD1-CG2 4.05Å; I108-I124 HydrophobicContact CG1-CG2 3.93Å; L119-I124 HydrophobicContact CB-CB 4.37Å; L119-I124 HydrophobicContact CB-CD1 4.14Å; L119-I124 HydrophobicContact CD2-CD1 4.03Å; L119-I124 WeakPolarHBondContact O-CB 3.47Å; L119-I124 PolarHBondContact O-N 2.99Å; L119-I124 VanDerWaalsContact O-N 3.16Å; Q120-I124 WeakPolarHBondContact CA-O 3.42Å; I124-C126 PolarHBondContact O-N 3.45Å; I124-C126 VanDerWaalsContact O-N 3.15Å; I124-C126 PolarHBondContact O-SG 2.85Å
125	K	98.1	Very high	97.3	Very high	115 Å²	115	54.8 Å²	54.8	50%	0.5	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	113	176.2	-171.6	-177.1	179.2	177.9	0	110.2	R107 I108 G123 F127	R107-K125 WeakPolarHBondContact CA-O 3.48Å; R107-K125 HydrophobicContact CG-CB 4.13Å; I108-K125 PolarHBondContact N-O 2.85Å; G123-K125 PolarHBondContact O-N 2.91Å; K125-F127 HydrophobicContact CD-CD1 4.31Å; K125-F127 HydrophobicContact CD-CE1 4.37Å; K125-F127 HydrophobicContact CG-CD1 3.99Å; K125-F127 HydrophobicContact CG-CE1 4.36Å
126	C	98.4	Very high	97.4	Very high	12 Å²	12	54.5 Å²	54.5	8%	0.081	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.6	176.7	-58.3	0	0	0	0	110.5	I108 P113 L116 Q120 I124	I108-C126 WeakPolarHBondContact O-CA 3.43Å; P113-C126 HydrophobicContact CB-CB 4.28Å; L116-C126 HydrophobicContact CB-CB 4.19Å; L116-C126 HydrophobicContact CD1-CB 3.97Å; Q120-C126 HydrophobicContact CG-CB 3.76Å; Q120-C126 PolarHBondContact NE2-O 3.29Å; I124-C126 PolarHBondContact O-N 3.45Å; I124-C126 VanDerWaalsContact O-N 3.15Å; I124-C126 PolarHBondContact O-SG 2.85Å
127	F	98.4	Very high	97.5	Very high	36 Å²	36	54.5 Å²	54.5	16%	0.158	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-174.9	-176.7	59.8	-78.9	0	0	0	110.9	R107 I108 S109 T110 K125 H129 D132 L133	R107-F127 HydrophobicContact CB-CE1 4.07Å; R107-F127 HydrophobicContact CG-CE1 4.47Å; I108-F127 PolarHBondContact O-N 3.03Å; S109-F127 CarbonylContact C-O 3.57Å; S109-F127 VanDerWaalsContact CA-O 3.26Å; S109-F127 WeakPolarHBondContact CA-O 3.36Å; T110-F127 PolarHBondContact N-O 3Å; K125-F127 HydrophobicContact CD-CD1 4.31Å; K125-F127 HydrophobicContact CD-CE1 4.37Å; K125-F127 HydrophobicContact CG-CD1 3.99Å; K125-F127 HydrophobicContact CG-CE1 4.36Å; F127-H129 HydrophobicContact CD2-CB 3.8Å; F127-H129 HydrophobicContact CE2-CB 3.88Å; F127-H129 VanDerWaalsContact CE2-O 3.28Å; F127-H129 WeakPolarHBondContact CE2-O 3.49Å; F127-D132 HydrophobicContact CE2-CB 4.21Å; F127-L133 HydrophobicContact CE2-CB 4.3Å; F127-L133 HydrophobicContact CZ-CB 3.85Å; F127-L133 HydrophobicContact CZ-CD1 4.38Å
128	Y	97.6	Very high	97.5	Very high	130 Å²	130	55 Å²	55	51%	0.51	28%	0.277	S	S	.	.	S	Bend	trans	-127.7	86.1	174.5	-174.2	-150.1	0	0	0	111.7	T110 R111	T110-Y128 WeakPolarHBondContact O-CB 3.37Å; R111-Y128 HydrophobicContact CG-CD2 4.43Å; R111-Y128 HydrophobicContact CG-CE1 4.14Å; R111-Y128 HydrophobicContact CG-CE2 3.85Å
129	H	97.3	Very high	97.7	Very high	81 Å²	81	48.8 Å²	48.8	38%	0.375	25%	0.248	S	C	.	.			trans	-163.1	100.5	174	-160.6	-62.7	0	0	0	108.7	S109 F127 D132 L133	S109-H129 PolarHBondContact OG-N 3.03Å; S109-H129 VanDerWaalsContact OG-N 3.13Å; F127-H129 HydrophobicContact CD2-CB 3.8Å; F127-H129 HydrophobicContact CE2-CB 3.88Å; F127-H129 VanDerWaalsContact CE2-O 3.28Å; F127-H129 WeakPolarHBondContact CE2-O 3.49Å; H129-D132 HydrophobicContact CB-CB 4.21Å; H129-D132 IonicContact CD2-OD2 3.85Å; H129-D132 IonicContact CE1-OD1 3.99Å; H129-D132 PolarHBondContact CE1-OD1 2.78Å; H129-D132 IonicContact CE1-OD2 3.99Å; H129-D132 IonicContact CG-OD1 3.7Å; H129-D132 IonicContact CG-OD2 3.76Å; H129-D132 PolarHBondContact ND1-N 2.87Å; H129-D132 IonicContact ND1-OD1 3.55Å; H129-D132 PolarHBondContact ND1-OD1 3.42Å; H129-D132 IonicContact ND1-OD2 3.59Å; H129-D132 IonicContact NE2-OD1 2.97Å; H129-D132 IonicContact NE2-OD2 2.78Å; H129-L133 PolarHBondContact O-N 3.01Å
130	N	98.3	Very high	97.8	Very high	6 Å²	6	48 Å²	48	3%	0.032	24%	0.243	C	C	.	.	H	α-helix	trans	-73.1	-38.3	-171	-58	-44.9	0	0	0	111.6	I82 S109 L133 V134 E155 I156	I82-N130 HydrophobicContact CD1-CB 4.05Å; S109-N130 VanDerWaalsContact CB-OD1 3.28Å; S109-N130 WeakPolarHBondContact CB-OD1 3.4Å; S109-N130 PolarHBondContact OG-OD1 2.84Å; N130-L133 PolarHBondContact O-N 3.02Å; N130-L133 VanDerWaalsContact O-N 3.15Å; N130-V134 WeakPolarHBondContact O-CG1 3.49Å; N130-V134 PolarHBondContact O-N 2.93Å; N130-E155 HydrophobicContact CB-CG 4.47Å; N130-E155 WeakPolarHBondContact CB-OE1 3.19Å; N130-E155 PolarHBondContact N-OE1 3.44Å; N130-E155 PolarHBondContact ND2-OE1 2.87Å; N130-E155 PolarHBondContact ND2-OE2 2.84Å; N130-I156 HydrophobicContact CB-CG2 3.44Å; N130-I156 VanDerWaalsContact CB-CG2 3.44Å
131	A	97.7	Very high	97.9	Very high	16 Å²	16	44.1 Å²	44.1	13%	0.132	23%	0.225	C	C	.	.	H	α-helix	trans	-57	-53	179.3	0	0	0	0	0	112.6	L133 V134 S135	A131-L133 VanDerWaalsContact C-N 3.27Å; A131-L133 PolarHBondContact O-N 3.36Å; A131-V134 WeakPolarHBondContact O-CG2 3.16Å; A131-V134 PolarHBondContact O-N 3.29Å; A131-S135 PolarHBondContact O-N 2.98Å; A131-S135 PolarHBondContact O-OG 3.21Å
132	D	97.8	Very high	97.9	Very high	84 Å²	84	36.5 Å²	36.5	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-55.7	-35.6	173	-68.3	3.6	0	0	0	114.6	F127 H129 S135 W136	F127-D132 HydrophobicContact CE2-CB 4.21Å; H129-D132 HydrophobicContact CB-CB 4.21Å; H129-D132 IonicContact CD2-OD2 3.85Å; H129-D132 IonicContact CE1-OD1 3.99Å; H129-D132 PolarHBondContact CE1-OD1 2.78Å; H129-D132 IonicContact CE1-OD2 3.99Å; H129-D132 IonicContact CG-OD1 3.7Å; H129-D132 IonicContact CG-OD2 3.76Å; H129-D132 PolarHBondContact ND1-N 2.87Å; H129-D132 IonicContact ND1-OD1 3.55Å; H129-D132 PolarHBondContact ND1-OD1 3.42Å; H129-D132 IonicContact ND1-OD2 3.59Å; H129-D132 IonicContact NE2-OD1 2.97Å; H129-D132 IonicContact NE2-OD2 2.78Å; D132-S135 PolarHBondContact O-OG 3.12Å; D132-W136 WeakPolarHBondContact O-CB 3.49Å; D132-W136 PolarHBondContact O-N 3.31Å
133	L	98.6	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.6	-45.2	176.9	179.7	148.6	0	0	0	110.8	I81 I82 R107 F127 H129 N130 A131 W136 A137 I140	I81-L133 WeakPolarHBondContact O-CD1 3.48Å; I82-L133 HydrophobicContact CD1-CD2 4.43Å; I82-L133 HydrophobicContact CG1-CD2 3.89Å; R107-L133 HydrophobicContact CB-CD1 4.27Å; F127-L133 HydrophobicContact CE2-CB 4.3Å; F127-L133 HydrophobicContact CZ-CB 3.85Å; F127-L133 HydrophobicContact CZ-CD1 4.38Å; H129-L133 PolarHBondContact O-N 3.01Å; N130-L133 PolarHBondContact O-N 3.02Å; N130-L133 VanDerWaalsContact O-N 3.15Å; A131-L133 VanDerWaalsContact C-N 3.27Å; A131-L133 PolarHBondContact O-N 3.36Å; L133-W136 PolarHBondContact O-N 3.31Å; L133-A137 VanDerWaalsContact O-CB 3.28Å; L133-A137 WeakPolarHBondContact O-CB 3.28Å; L133-A137 PolarHBondContact O-N 3.13Å; L133-A137 VanDerWaalsContact O-N 3.08Å; L133-I140 HydrophobicContact CD2-CG2 4.22Å
134	V	98.1	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-73.7	-31	-176.4	-57.3	0	0	0	0	113.3	I82 N130 A131 W136 I140 I156 L160	I82-V134 HydrophobicContact CD1-CG1 3.73Å; N130-V134 WeakPolarHBondContact O-CG1 3.49Å; N130-V134 PolarHBondContact O-N 2.93Å; A131-V134 WeakPolarHBondContact O-CG2 3.16Å; A131-V134 PolarHBondContact O-N 3.29Å; V134-W136 VanDerWaalsContact C-N 3.26Å; V134-W136 PolarHBondContact O-N 3.01Å; V134-I140 HydrophobicContact CB-CG1 4.2Å; V134-I140 HydrophobicContact CG1-CG1 4.05Å; V134-I140 HydrophobicContact CG1-CG2 3.95Å; V134-I156 HydrophobicContact CG1-CB 4.02Å; V134-I156 HydrophobicContact CG1-CD1 4.14Å; V134-I156 HydrophobicContact CG1-CG2 3.93Å; V134-I156 HydrophobicContact CG2-CB 3.88Å; V134-I156 HydrophobicContact CG2-CG2 4.18Å; V134-L160 HydrophobicContact CB-CD2 3.98Å; V134-L160 HydrophobicContact CG1-CD2 4.34Å; V134-L160 HydrophobicContact CG2-CD2 4.45Å
135	S	97.3	Very high	97.8	Very high	66 Å²	66	36.2 Å²	36.2	46%	0.462	18%	0.182	S	C	.	.	H	α-helix	trans	-72.2	-24.2	176.3	62.7	0	0	0	0	112.3	A131 D132	A131-S135 PolarHBondContact O-N 2.98Å; A131-S135 PolarHBondContact O-OG 3.21Å; D132-S135 PolarHBondContact O-OG 3.12Å
136	W	97.3	Very high	97.6	Very high	41 Å²	41	33.4 Å²	33.4	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-88.6	-32.5	177.9	167.3	82.9	0	0	0	113.4	K78 V79 S105 R107 D132 L133 V134	K78-W136 HydrophobicContact CB-CD2 4.21Å; K78-W136 HydrophobicContact CB-CE3 4.26Å; K78-W136 HydrophobicContact CB-CH2 3.72Å; K78-W136 HydrophobicContact CB-CZ2 3.66Å; K78-W136 HydrophobicContact CB-CZ3 4.02Å; K78-W136 HydrophobicContact CD-CD2 4.21Å; K78-W136 HydrophobicContact CD-CG 4.39Å; K78-W136 HydrophobicContact CD-CZ2 4.08Å; K78-W136 WeakPolarHBondContact CD-O 3.36Å; K78-W136 HydrophobicContact CG-CD2 4.39Å; K78-W136 HydrophobicContact CG-CH2 4.1Å; K78-W136 HydrophobicContact CG-CZ2 3.52Å; V79-W136 WeakPolarHBondContact O-CZ3 3.42Å; S105-W136 WeakPolarHBondContact O-CH2 3.41Å; R107-W136 HydrophobicContact CB-CE3 4.26Å; R107-W136 HydrophobicContact CB-CH2 4.02Å; R107-W136 HydrophobicContact CB-CZ3 3.63Å; R107-W136 HydrophobicContact CG-CE3 4.08Å; R107-W136 HydrophobicContact CG-CH2 3.41Å; R107-W136 VanDerWaalsContact CG-CH2 3.41Å; R107-W136 HydrophobicContact CG-CZ2 3.96Å; R107-W136 HydrophobicContact CG-CZ3 3.48Å; R107-W136 VanDerWaalsContact CG-CZ3 3.48Å; R107-W136 VanDerWaalsContact CZ-NE1 3.25Å; R107-W136 VanDerWaalsContact NH1-CD1 3.27Å; R107-W136 VanDerWaalsContact NH1-CG 3.25Å; D132-W136 WeakPolarHBondContact O-CB 3.49Å; D132-W136 PolarHBondContact O-N 3.31Å; L133-W136 PolarHBondContact O-N 3.31Å; V134-W136 VanDerWaalsContact C-N 3.26Å; V134-W136 PolarHBondContact O-N 3.01Å
137	A	98.1	Very high	97.4	Very high	6 Å²	6	37.4 Å²	37.4	5%	0.05	20%	0.204	C	C	.	.			trans	-87.3	143.5	-168.5	0	0	0	0	0	113.9	L133 I140	L133-A137 VanDerWaalsContact O-CB 3.28Å; L133-A137 WeakPolarHBondContact O-CB 3.28Å; L133-A137 PolarHBondContact O-N 3.13Å; L133-A137 VanDerWaalsContact O-N 3.08Å; A137-I140 HydrophobicContact CB-CD1 4.24Å; A137-I140 HydrophobicContact CB-CG1 3.95Å
138	D	97.6	Very high	97.2	Very high	34 Å²	34	38 Å²	38	18%	0.182	21%	0.207	C	C	.	.	S	Bend	trans	-81.8	-36.3	169.8	-59.6	-65.7	0	0	0	111.5	R52 F77 K78 S164 I165	R52-D138 IonicContact CZ-OD1 3.25Å; R52-D138 IonicContact CZ-OD2 3.24Å; R52-D138 VanDerWaalsContact NH1-CG 3.25Å; R52-D138 IonicContact NH1-OD1 3.25Å; R52-D138 PolarHBondContact NH1-OD1 3.03Å; R52-D138 IonicContact NH1-OD2 2.8Å; R52-D138 PolarHBondContact NH1-OD2 3.24Å; R52-D138 IonicContact NH2-OD1 2.63Å; R52-D138 PolarHBondContact NH2-OD1 3.26Å; R52-D138 IonicContact NH2-OD2 3.78Å; R52-D138 PolarHBondContact NH2-OD2 3.44Å; F77-D138 HydrophobicContact CD2-CB 4.26Å; F77-D138 HydrophobicContact CE2-CB 4.3Å; K78-D138 PolarHBondContact N-OD2 2.76Å; K78-D138 WeakPolarHBondContact O-CB 3.2Å; K78-D138 PolarHBondContact O-N 3.2Å; D138-S164 CarbonylContact O-C 3.57Å; D138-S164 WeakPolarHBondContact O-CA 3.46Å; D138-I165 PolarHBondContact O-N 3.01Å
139	V	98.6	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.7	176.4	178.3	0	0	0	0	109.3	F44 L48 F77 K78 G80 F141 I165	F44-V139 HydrophobicContact CE1-CG1 4.11Å; F44-V139 HydrophobicContact CE1-CG2 4.22Å; L48-V139 HydrophobicContact CD1-CG2 3.65Å; F77-V139 HydrophobicContact CE2-CG2 3.68Å; F77-V139 HydrophobicContact CZ-CB 4.49Å; F77-V139 HydrophobicContact CZ-CG2 3.83Å; K78-V139 PolarHBondContact O-N 2.97Å; G80-V139 PolarHBondContact N-O 3.43Å; V139-F141 HydrophobicContact CG1-CD2 4.18Å; V139-F141 HydrophobicContact CG1-CE1 4.44Å; V139-F141 HydrophobicContact CG1-CE2 3.68Å; V139-F141 HydrophobicContact CG1-CZ 3.83Å; V139-I165 CarbonylContact C-O 3.28Å; V139-I165 WeakPolarHBondContact CA-O 3.47Å; V139-I165 HydrophobicContact CG2-CB 4.39Å
140	I	98.8	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.3	-179.1	-57	87.5	0	0	0	109.2	G80 I82 L133 V134 A137 L142 L160 I165 V166 Y167	G80-I140 CarbonylContact O-C 3.58Å; G80-I140 WeakPolarHBondContact O-CA 3.28Å; I82-I140 HydrophobicContact CD1-CG2 3.99Å; I82-I140 HydrophobicContact CG1-CG2 4.24Å; L133-I140 HydrophobicContact CD2-CG2 4.22Å; V134-I140 HydrophobicContact CB-CG1 4.2Å; V134-I140 HydrophobicContact CG1-CG1 4.05Å; V134-I140 HydrophobicContact CG1-CG2 3.95Å; A137-I140 HydrophobicContact CB-CD1 4.24Å; A137-I140 HydrophobicContact CB-CG1 3.95Å; I140-L142 HydrophobicContact CG2-CD2 4.13Å; I140-L160 HydrophobicContact CD1-CD2 4.18Å; I140-I165 PolarHBondContact N-O 3.13Å; I140-V166 CarbonylContact O-C 3.5Å; I140-V166 WeakPolarHBondContact O-CA 3.41Å; I140-Y167 PolarHBondContact O-N 3.37Å
141	F	98.9	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.3	172.1	-67.5	-78.7	0	0	0	111.3	A41 V79 G80 I81 I82 L91 L95 V139 C143 Y167 F169	A41-F141 HydrophobicContact CB-CD1 4.34Å; A41-F141 HydrophobicContact CB-CE1 3.44Å; A41-F141 VanDerWaalsContact CB-CE1 3.44Å; A41-F141 HydrophobicContact CB-CZ 3.74Å; V79-F141 HydrophobicContact CG1-CD2 3.68Å; V79-F141 HydrophobicContact CG1-CE2 3.51Å; G80-F141 PolarHBondContact O-N 3.29Å; I81-F141 HydrophobicContact CG1-CB 4.2Å; I81-F141 HydrophobicContact CG1-CD2 4.26Å; I82-F141 PolarHBondContact N-O 3.15Å; L91-F141 HydrophobicContact CD2-CB 3.87Å; L91-F141 HydrophobicContact CD2-CD1 3.86Å; L91-F141 HydrophobicContact CD2-CD2 4.06Å; L91-F141 HydrophobicContact CD2-CE1 4.43Å; L91-F141 HydrophobicContact CD2-CG 3.66Å; L95-F141 HydrophobicContact CD1-CD2 4.34Å; L95-F141 HydrophobicContact CD1-CE2 3.9Å; V139-F141 HydrophobicContact CG1-CD2 4.18Å; V139-F141 HydrophobicContact CG1-CE1 4.44Å; V139-F141 HydrophobicContact CG1-CE2 3.68Å; V139-F141 HydrophobicContact CG1-CZ 3.83Å; F141-C143 PolarHBondContact O-N 2.98Å; F141-Y167 CarbonylContact C-O 3.52Å; F141-Y167 VanDerWaalsContact CA-O 3.3Å; F141-Y167 WeakPolarHBondContact CA-O 3.19Å; F141-Y167 AromaticContact CD1-CD1 3.7Å; F141-Y167 HydrophobicContact CD1-CD1 3.7Å; F141-Y167 HydrophobicContact CD1-CD2 4.43Å; F141-Y167 AromaticContact CD1-CG 3.64Å; F141-Y167 HydrophobicContact CD1-CG 3.64Å; F141-Y167 AromaticContact CE1-CD1 3.72Å; F141-Y167 HydrophobicContact CE1-CD1 3.72Å; F141-Y167 AromaticContact CE1-CD2 3.74Å; F141-Y167 HydrophobicContact CE1-CD2 3.74Å; F141-Y167 HydrophobicContact CE1-CE1 4.32Å; F141-Y167 HydrophobicContact CE1-CE2 4.32Å; F141-Y167 AromaticContact CE1-CG 3.41Å; F141-Y167 HydrophobicContact CE1-CG 3.41Å; F141-Y167 VanDerWaalsContact CE1-CG 3.41Å; F141-Y167 HydrophobicContact CZ-CG 4.49Å; F141-F169 HydrophobicContact CD1-CD2 4.35Å; F141-F169 AromaticContact CD1-CE2 3.63Å; F141-F169 HydrophobicContact CD1-CE2 3.63Å; F141-F169 HydrophobicContact CD1-CZ 4.45Å; F141-F169 HydrophobicContact CE1-CE2 4.18Å
142	L	98.6	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	99.8	171.2	-54.6	-177.7	0	0	0	109.7	I82 I140 L149 I156 V166 Y167 F169 V170 L182	I82-L142 HydrophobicContact CB-CD2 4.18Å; I82-L142 HydrophobicContact CD1-CD2 3.88Å; I82-L142 HydrophobicContact CG1-CD2 4.44Å; I140-L142 HydrophobicContact CG2-CD2 4.13Å; L142-L149 HydrophobicContact CD1-CD1 3.87Å; L142-I156 HydrophobicContact CD2-CD1 4.37Å; L142-V166 HydrophobicContact CD1-CG1 3.58Å; L142-V166 HydrophobicContact CD2-CG1 4.42Å; L142-V166 HydrophobicContact CG-CG1 3.76Å; L142-Y167 PolarHBondContact N-O 3.18Å; L142-F169 PolarHBondContact O-N 3.28Å; L142-F169 VanDerWaalsContact O-N 3.14Å; L142-V170 HydrophobicContact CB-CG2 4.22Å; L142-L182 HydrophobicContact CD1-CD1 4.33Å
143	C	97.9	Very high	96.9	Very high	16 Å²	16	32.2 Å²	32.2	11%	0.108	19%	0.189	C	C	.	.			trans	-111.8	31.8	179.4	-64.8	0	0	0	0	111.7	I81 I82 F141	I81-C143 HydrophobicContact CG2-CB 4.09Å; I82-C143 CarbonylContact O-C 3.08Å; I82-C143 WeakPolarHBondContact O-CA 3.25Å; I82-C143 PolarHBondContact O-N 3.23Å; F141-C143 PolarHBondContact O-N 2.98Å
144	C	95.6	Very high	96.8	Very high	14 Å²	14	37.2 Å²	37.2	10%	0.095	22%	0.219	C	C	.	.	S	Bend	trans	-94.2	166.2	179.9	63.8	0	0	0	0	112.3	I82 Q148 I152	I82-C144 PolarHBondContact O-N 2.98Å; C144-Q148 HydrophobicContact CB-CB 4.42Å; C144-I152 HydrophobicContact CB-CD1 3.49Å; C144-I152 VanDerWaalsContact CB-CD1 3.49Å; C144-I152 VanDerWaalsContact SG-CD1 3.57Å
145	L	94.3	Very high	96.7	Very high	103 Å²	103	40.4 Å²	40.4	54%	0.539	23%	0.234	S	C	.	.			trans	-71.9	147.7	173.5	-62.9	175.7	0	0	0	110.4	S147 Q148 L149	L145-S147 PolarHBondContact O-N 3.41Å; L145-S147 VanDerWaalsContact O-N 3.12Å; L145-Q148 HydrophobicContact CB-CG 4.18Å; L145-Q148 VanDerWaalsContact N-OE1 3.09Å; L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.48Å; L145-L149 PolarHBondContact O-N 3.08Å
146	P	93.9	Very high	96.7	Very high	57 Å²	57	37.3 Å²	37.3	37%	0.37	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.2	178.4	-27.6	34.1	0	0	0	114.7	Q148 L149 V170 A172	P146-Q148 PolarHBondContact O-N 3.23Å; P146-L149 PolarHBondContact O-N 3.45Å; P146-V170 HydrophobicContact CB-CG1 3.96Å; P146-V170 HydrophobicContact CG-CG1 3.85Å; P146-A172 HydrophobicContact CB-CB 3.95Å; P146-A172 HydrophobicContact CG-CB 3.9Å
147	S	94.3	Very high	96.6	Very high	96 Å²	96	38.9 Å²	38.9	67%	0.671	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.5	178	55.2	0	0	0	0	114	L145	L145-S147 PolarHBondContact O-N 3.41Å; L145-S147 VanDerWaalsContact O-N 3.12Å
148	Q	94.3	Very high	96.5	Very high	48 Å²	48	44 Å²	44	22%	0.224	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-23.9	-179.9	-63.9	166.7	-16.7	0	0	112.2	R111 C144 L145 P146 N151 I152	R111-Q148 VanDerWaalsContact NH2-NE2 3.12Å; C144-Q148 HydrophobicContact CB-CB 4.42Å; L145-Q148 HydrophobicContact CB-CG 4.18Å; L145-Q148 VanDerWaalsContact N-OE1 3.09Å; L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.48Å; P146-Q148 PolarHBondContact O-N 3.23Å; Q148-N151 PolarHBondContact O-N 3.43Å; Q148-I152 HydrophobicContact CB-CD1 3.96Å; Q148-I152 PolarHBondContact O-N 2.7Å
149	L	95.6	Very high	96.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-44.7	-170.5	-177.8	70.3	0	0	0	113.7	L142 L145 P146 N151 I152 C153 V170 V173 L178	L142-L149 HydrophobicContact CD1-CD1 3.87Å; L145-L149 PolarHBondContact O-N 3.08Å; P146-L149 PolarHBondContact O-N 3.45Å; L149-N151 VanDerWaalsContact C-N 3.3Å; L149-N151 PolarHBondContact O-N 2.89Å; L149-I152 PolarHBondContact O-N 3.24Å; L149-C153 WeakPolarHBondContact O-CB 3.36Å; L149-C153 PolarHBondContact O-N 2.89Å; L149-C153 PolarHBondContact O-SG 3.05Å; L149-V170 HydrophobicContact CD1-CG2 4.31Å; L149-V170 HydrophobicContact CD2-CB 4.3Å; L149-V170 HydrophobicContact CD2-CG1 4.06Å; L149-V170 HydrophobicContact CD2-CG2 4.46Å; L149-V173 HydrophobicContact CD2-CB 3.86Å; L149-V173 HydrophobicContact CD2-CG1 3.89Å; L149-V173 HydrophobicContact CD2-CG2 3.73Å; L149-L178 HydrophobicContact CD1-CD2 4.46Å; L149-L178 HydrophobicContact CD2-CD2 3.64Å
150	P	95.4	Very high	96.4	Very high	57 Å²	57	45 Å²	45	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-56.4	-43.1	-179.8	-26.6	36	0	0	0	113.4	C153 V154	P150-C153 PolarHBondContact O-N 2.83Å; P150-V154 WeakPolarHBondContact O-CG2 3.28Å; P150-V154 PolarHBondContact O-N 3.47Å; P150-V154 VanDerWaalsContact O-N 3.13Å
151	N	96.4	Very high	96.2	Very high	123 Å²	123	50.5 Å²	50.5	66%	0.658	29%	0.285	S	S	*	.	H	α-helix	trans	-69.2	-41	179.6	-66.1	-15.9	0	0	0	111.5	Q148 L149 C153 V154 E155	Q148-N151 PolarHBondContact O-N 3.43Å; L149-N151 VanDerWaalsContact C-N 3.3Å; L149-N151 PolarHBondContact O-N 2.89Å; N151-C153 VanDerWaalsContact C-N 3.34Å; N151-C153 PolarHBondContact O-N 2.8Å; N151-V154 PolarHBondContact O-N 3.12Å; N151-E155 PolarHBondContact O-N 3.01Å; N151-E155 VanDerWaalsContact O-N 3.1Å
152	I	97.3	Very high	95.9	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.082	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-44.8	175.2	-68.8	165.7	0	0	0	110.3	I82 C144 Q148 L149 V154 E155 I156	I82-I152 HydrophobicContact CD1-CG2 4.2Å; I82-I152 HydrophobicContact CG2-CD1 4.01Å; I82-I152 HydrophobicContact CG2-CG2 4.03Å; C144-I152 HydrophobicContact CB-CD1 3.49Å; C144-I152 VanDerWaalsContact CB-CD1 3.49Å; C144-I152 VanDerWaalsContact SG-CD1 3.57Å; Q148-I152 HydrophobicContact CB-CD1 3.96Å; Q148-I152 PolarHBondContact O-N 2.7Å; L149-I152 PolarHBondContact O-N 3.24Å; I152-V154 PolarHBondContact O-N 3.44Å; I152-E155 WeakPolarHBondContact O-CB 3.28Å; I152-E155 PolarHBondContact O-N 3.46Å; I152-E155 VanDerWaalsContact O-N 3.13Å; I152-I156 HydrophobicContact CG2-CD1 4.04Å; I152-I156 HydrophobicContact CG2-CG2 4.42Å; I152-I156 WeakPolarHBondContact O-CG1 3.42Å; I152-I156 PolarHBondContact O-N 2.8Å
153	C	97.3	Very high	95.7	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-44.1	178.4	-70.1	0	0	0	0	112.1	L149 P150 N151 E155 I156 H157 L181 L182	L149-C153 WeakPolarHBondContact O-CB 3.36Å; L149-C153 PolarHBondContact O-N 2.89Å; L149-C153 PolarHBondContact O-SG 3.05Å; P150-C153 PolarHBondContact O-N 2.83Å; N151-C153 VanDerWaalsContact C-N 3.34Å; N151-C153 PolarHBondContact O-N 2.8Å; C153-E155 VanDerWaalsContact C-N 3.27Å; C153-E155 PolarHBondContact O-N 2.84Å; C153-I156 PolarHBondContact O-N 2.76Å; C153-H157 VanDerWaalsContact O-CB 3.31Å; C153-H157 WeakPolarHBondContact O-CB 3.3Å; C153-H157 PolarHBondContact O-N 2.84Å; C153-H157 PolarHBondContact O-ND1 3.21Å; C153-L181 HydrophobicContact CB-CB 3.84Å; C153-L182 HydrophobicContact CB-CD2 4.1Å; C153-L182 VanDerWaalsContact SG-CD2 3.51Å
154	V	96.8	Very high	95.7	Very high	104 Å²	104	59.4 Å²	59.4	63%	0.63	33%	0.328	S	S	*	.	H	α-helix	trans	-58.5	-41.5	174.9	171.3	0	0	0	0	111	P150 N151 I152 H157	P150-V154 WeakPolarHBondContact O-CG2 3.28Å; P150-V154 PolarHBondContact O-N 3.47Å; P150-V154 VanDerWaalsContact O-N 3.13Å; N151-V154 PolarHBondContact O-N 3.12Å; I152-V154 PolarHBondContact O-N 3.44Å; V154-H157 PolarHBondContact O-CE1 3.44Å; V154-H157 VanDerWaalsContact O-CE1 3.31Å; V154-H157 PolarHBondContact O-ND1 3.02Å
155	E	97.1	Very high	95.8	Very high	68 Å²	68	58.9 Å²	58.9	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-66	-40.3	179	-171.1	-171.6	156.2	0	0	113.1	N130 N151 I152 C153	N130-E155 HydrophobicContact CB-CG 4.47Å; N130-E155 WeakPolarHBondContact CB-OE1 3.19Å; N130-E155 PolarHBondContact N-OE1 3.44Å; N130-E155 PolarHBondContact ND2-OE1 2.87Å; N130-E155 PolarHBondContact ND2-OE2 2.84Å; N151-E155 PolarHBondContact O-N 3.01Å; N151-E155 VanDerWaalsContact O-N 3.1Å; I152-E155 WeakPolarHBondContact O-CB 3.28Å; I152-E155 PolarHBondContact O-N 3.46Å; I152-E155 VanDerWaalsContact O-N 3.13Å; C153-E155 VanDerWaalsContact C-N 3.27Å; C153-E155 PolarHBondContact O-N 2.84Å
156	I	97.8	Very high	96	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-100.7	-18.7	-167.5	71.4	179.9	0	0	0	115.3	I82 N130 V134 L142 I152 C153 T158 S159 L160 L182	I82-I156 HydrophobicContact CD1-CD1 4.02Å; I82-I156 HydrophobicContact CD1-CG2 4.21Å; N130-I156 HydrophobicContact CB-CG2 3.44Å; N130-I156 VanDerWaalsContact CB-CG2 3.44Å; V134-I156 HydrophobicContact CG1-CB 4.02Å; V134-I156 HydrophobicContact CG1-CD1 4.14Å; V134-I156 HydrophobicContact CG1-CG2 3.93Å; V134-I156 HydrophobicContact CG2-CB 3.88Å; V134-I156 HydrophobicContact CG2-CG2 4.18Å; L142-I156 HydrophobicContact CD2-CD1 4.37Å; I152-I156 HydrophobicContact CG2-CD1 4.04Å; I152-I156 HydrophobicContact CG2-CG2 4.42Å; I152-I156 WeakPolarHBondContact O-CG1 3.42Å; I152-I156 PolarHBondContact O-N 2.8Å; C153-I156 PolarHBondContact O-N 2.76Å; I156-T158 PolarHBondContact O-N 3.42Å; I156-T158 VanDerWaalsContact O-N 3.11Å; I156-S159 PolarHBondContact O-N 3.29Å; I156-L160 HydrophobicContact CG1-CD1 4.42Å; I156-L160 PolarHBondContact O-N 3Å; I156-L182 HydrophobicContact CD1-CD2 3.72Å; I156-L182 HydrophobicContact CG1-CD2 3.92Å
157	H	94.6	Very high	96.3	Very high	75 Å²	75	51.2 Å²	51.2	35%	0.347	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.2	-167.6	73.5	-69.1	0	0	0	114.5	C153 V154	C153-H157 VanDerWaalsContact O-CB 3.31Å; C153-H157 WeakPolarHBondContact O-CB 3.3Å; C153-H157 PolarHBondContact O-N 2.84Å; C153-H157 PolarHBondContact O-ND1 3.21Å; V154-H157 PolarHBondContact O-CE1 3.44Å; V154-H157 VanDerWaalsContact O-CE1 3.31Å; V154-H157 PolarHBondContact O-ND1 3.02Å
158	T	95.3	Very high	96.5	Very high	112 Å²	112	46.7 Å²	46.7	69%	0.687	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.8	176.8	50.8	0	0	0	0	114	I156	I156-T158 PolarHBondContact O-N 3.42Å; I156-T158 VanDerWaalsContact O-N 3.11Å
159	S	96.9	Very high	96.6	Very high	32 Å²	32	45.8 Å²	45.8	22%	0.224	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-1.8	-176.2	-58.7	0	0	0	0	112.7	I156	I156-S159 PolarHBondContact O-N 3.29Å
160	L	96.6	Very high	96.5	Very high	24 Å²	24	46 Å²	46	13%	0.126	25%	0.246	C	C	.	.			trans	-78.7	119.4	176.8	-75.5	169.2	0	0	0	110.6	V134 I140 I156 V166 L182 H184	V134-L160 HydrophobicContact CB-CD2 3.98Å; V134-L160 HydrophobicContact CG1-CD2 4.34Å; V134-L160 HydrophobicContact CG2-CD2 4.45Å; I140-L160 HydrophobicContact CD1-CD2 4.18Å; I156-L160 HydrophobicContact CG1-CD1 4.42Å; I156-L160 PolarHBondContact O-N 3Å; L160-V166 HydrophobicContact CD1-CG2 4.15Å; L160-V166 HydrophobicContact CD2-CG2 3.68Å; L160-L182 HydrophobicContact CD1-CB 4.18Å; L160-L182 HydrophobicContact CD1-CD2 4.04Å; L160-H184 HydrophobicContact CD1-CB 4.33Å
161	E	95.3	Very high	95.8	Very high	115 Å²	115	47 Å²	47	54%	0.537	26%	0.259	S	S	.	.			trans	-67.1	142.9	168.9	-73.2	-60.6	152	0	0	110.7	T163 S164 H184	E161-T163 PolarHBondContact O-N 3.26Å; E161-T163 VanDerWaalsContact O-N 3.11Å; E161-S164 WeakPolarHBondContact O-CB 3.38Å; E161-S164 PolarHBondContact O-N 3.26Å; E161-S164 PolarHBondContact O-OG 3.35Å; E161-H184 PolarHBondContact O-CE1 3.21Å
162	K	93.6	Very high	95.3	Very high	132 Å²	132	44.7 Å²	44.7	57%	0.574	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.4	179	-178.5	-178.5	175.5	-174.6	0	112.2	H184 W306	K162-H184 PolarHBondContact O-CE1 3.32Å; K162-W306 HydrophobicContact CG-CH2 4.41Å; K162-W306 HydrophobicContact CG-CZ2 4.13Å; K162-W306 WeakPolarHBondContact O-CH2 3.33Å; K162-W306 VanDerWaalsContact O-CZ2 3.29Å; K162-W306 WeakPolarHBondContact O-CZ2 3.24Å
163	T	94.3	Very high	95.1	Very high	69 Å²	69	44.9 Å²	44.9	42%	0.423	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.9	-178.6	53.5	0	0	0	0	113.4	E161 N186 A250	E161-T163 PolarHBondContact O-N 3.26Å; E161-T163 VanDerWaalsContact O-N 3.11Å; T163-N186 PolarHBondContact O-ND2 2.88Å; T163-N186 VanDerWaalsContact O-ND2 3.13Å; T163-A250 HydrophobicContact CG2-CB 3.56Å
164	S	97	Very high	95	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.014	28%	0.282	C	S	.	.			trans	-63.2	145	177.1	72.5	0	0	0	0	110.7	D138 E161 H184 N186	D138-S164 CarbonylContact O-C 3.57Å; D138-S164 WeakPolarHBondContact O-CA 3.46Å; E161-S164 WeakPolarHBondContact O-CB 3.38Å; E161-S164 PolarHBondContact O-N 3.26Å; E161-S164 PolarHBondContact O-OG 3.35Å; S164-H184 PolarHBondContact O-NE2 3.48Å; S164-N186 WeakPolarHBondContact O-CB 3.42Å; S164-N186 PolarHBondContact O-ND2 2.8Å
165	I	98.6	Very high	94.9	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.4	179.4	-62.5	160.2	0	0	0	108.7	F44 L48 D138 V139 I140 N186 L188 A243 I247	F44-I165 HydrophobicContact CE1-CG2 4.14Å; F44-I165 HydrophobicContact CZ-CD1 4Å; F44-I165 HydrophobicContact CZ-CG2 3.93Å; L48-I165 HydrophobicContact CD1-CD1 3.73Å; D138-I165 PolarHBondContact O-N 3.01Å; V139-I165 CarbonylContact C-O 3.28Å; V139-I165 WeakPolarHBondContact CA-O 3.47Å; V139-I165 HydrophobicContact CG2-CB 4.39Å; I140-I165 PolarHBondContact N-O 3.13Å; I165-N186 WeakPolarHBondContact CA-O 3.39Å; I165-N186 WeakPolarHBondContact CG1-ND2 3.21Å; I165-L188 HydrophobicContact CG2-CB 4.49Å; I165-A243 HydrophobicContact CD1-CB 4.14Å; I165-I247 HydrophobicContact CD1-CD1 3.91Å; I165-I247 HydrophobicContact CD1-CG1 4.36Å
166	V	98.8	Very high	94.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.7	173.1	179	0	0	0	0	108.9	I140 L142 L160 L182 N186 I187 L188	I140-V166 CarbonylContact O-C 3.5Å; I140-V166 WeakPolarHBondContact O-CA 3.41Å; L142-V166 HydrophobicContact CD1-CG1 3.58Å; L142-V166 HydrophobicContact CD2-CG1 4.42Å; L142-V166 HydrophobicContact CG-CG1 3.76Å; L160-V166 HydrophobicContact CD1-CG2 4.15Å; L160-V166 HydrophobicContact CD2-CG2 3.68Å; V166-L182 HydrophobicContact CB-CD1 4.44Å; V166-L182 HydrophobicContact CG1-CD1 3.86Å; V166-N186 PolarHBondContact N-O 3.09Å; V166-I187 HydrophobicContact CB-CG1 4.28Å; V166-I187 CarbonylContact O-C 3.55Å; V166-I187 VanDerWaalsContact O-CA 3.25Å; V166-I187 WeakPolarHBondContact O-CA 3.33Å; V166-L188 PolarHBondContact O-N 3.45Å
167	Y	98.8	Very high	94.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	109.8	175.4	-164	-61.8	0	0	0	109.6	F44 I140 F141 L142 F169 L188 P190 W236	F44-Y167 HydrophobicContact CB-CE2 4.32Å; F44-Y167 AromaticContact CD1-CD2 3.74Å; F44-Y167 HydrophobicContact CD1-CD2 3.74Å; F44-Y167 HydrophobicContact CD1-CE2 4.04Å; F44-Y167 AromaticContact CE1-CD2 4Å; F44-Y167 HydrophobicContact CE1-CD2 4Å; F44-Y167 HydrophobicContact CG-CD2 4.34Å; F44-Y167 HydrophobicContact CG-CE2 4.2Å; I140-Y167 PolarHBondContact O-N 3.37Å; F141-Y167 CarbonylContact C-O 3.52Å; F141-Y167 VanDerWaalsContact CA-O 3.3Å; F141-Y167 WeakPolarHBondContact CA-O 3.19Å; F141-Y167 AromaticContact CD1-CD1 3.7Å; F141-Y167 HydrophobicContact CD1-CD1 3.7Å; F141-Y167 HydrophobicContact CD1-CD2 4.43Å; F141-Y167 AromaticContact CD1-CG 3.64Å; F141-Y167 HydrophobicContact CD1-CG 3.64Å; F141-Y167 AromaticContact CE1-CD1 3.72Å; F141-Y167 HydrophobicContact CE1-CD1 3.72Å; F141-Y167 AromaticContact CE1-CD2 3.74Å; F141-Y167 HydrophobicContact CE1-CD2 3.74Å; F141-Y167 HydrophobicContact CE1-CE1 4.32Å; F141-Y167 HydrophobicContact CE1-CE2 4.32Å; F141-Y167 AromaticContact CE1-CG 3.41Å; F141-Y167 HydrophobicContact CE1-CG 3.41Å; F141-Y167 VanDerWaalsContact CE1-CG 3.41Å; F141-Y167 HydrophobicContact CZ-CG 4.49Å; L142-Y167 PolarHBondContact N-O 3.18Å; Y167-F169 HydrophobicContact CD1-CD2 4.24Å; Y167-F169 HydrophobicContact CD1-CE1 4.26Å; Y167-F169 AromaticContact CD1-CE2 3.85Å; Y167-F169 HydrophobicContact CD1-CE2 3.85Å; Y167-F169 AromaticContact CD1-CZ 3.88Å; Y167-F169 HydrophobicContact CD1-CZ 3.88Å; Y167-F169 HydrophobicContact CE1-CD1 4.1Å; Y167-F169 HydrophobicContact CE1-CD2 4.39Å; Y167-F169 AromaticContact CE1-CE1 3.49Å; Y167-F169 HydrophobicContact CE1-CE1 3.49Å; Y167-F169 VanDerWaalsContact CE1-CE1 3.49Å; Y167-F169 AromaticContact CE1-CE2 3.83Å; Y167-F169 HydrophobicContact CE1-CE2 3.83Å; Y167-F169 AromaticContact CE1-CZ 3.36Å; Y167-F169 HydrophobicContact CE1-CZ 3.36Å; Y167-L188 CarbonylContact C-O 3.55Å; Y167-L188 VanDerWaalsContact CA-O 3.29Å; Y167-L188 WeakPolarHBondContact CA-O 3.42Å; Y167-L188 HydrophobicContact CD2-CB 4.23Å; Y167-L188 HydrophobicContact CD2-CD2 3.79Å; Y167-L188 HydrophobicContact CD2-CG 4.18Å; Y167-L188 HydrophobicContact CE2-CD2 3.67Å; Y167-L188 HydrophobicContact CE2-CG 4.15Å; Y167-P190 HydrophobicContact CE1-CG 3.59Å; Y167-P190 WeakPolarHBondContact OH-CG 3.25Å; Y167-W236 AromaticContact CE2-NE1 3.64Å; Y167-W236 AromaticContact CZ-NE1 3.58Å; Y167-W236 PolarHBondContact OH-NE1 3.42Å
168	S	98.2	Very high	95	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.3	-172.6	179.6	0	0	0	0	113.4	V170 L188 R189	S168-V170 PolarHBondContact OG-N 3.1Å; S168-L188 PolarHBondContact N-O 3.21Å; S168-R189 WeakPolarHBondContact O-CG 3.47Å
169	F	97.3	Very high	95.1	Very high	30 Å²	30	44 Å²	44	13%	0.132	25%	0.247	C	C	.	.			trans	-91.3	1.6	169.6	-69.8	-68.6	0	0	0	113.7	A37 A41 L87 L91 F141 L142 Y167 A171 P190	A37-F169 HydrophobicContact CB-CD1 3.94Å; A37-F169 HydrophobicContact CB-CE1 3.46Å; A37-F169 VanDerWaalsContact CB-CE1 3.46Å; A37-F169 HydrophobicContact CB-CZ 4.08Å; A37-F169 WeakPolarHBondContact O-CZ 3.44Å; A41-F169 HydrophobicContact CB-CE2 4.34Å; A41-F169 HydrophobicContact CB-CZ 3.85Å; L87-F169 HydrophobicContact CD2-CB 3.54Å; L87-F169 HydrophobicContact CD2-CD1 4.3Å; L87-F169 HydrophobicContact CD2-CD2 3.9Å; L87-F169 HydrophobicContact CD2-CG 3.68Å; L91-F169 HydrophobicContact CD2-CE2 3.84Å; F141-F169 HydrophobicContact CD1-CD2 4.35Å; F141-F169 AromaticContact CD1-CE2 3.63Å; F141-F169 HydrophobicContact CD1-CE2 3.63Å; F141-F169 HydrophobicContact CD1-CZ 4.45Å; F141-F169 HydrophobicContact CE1-CE2 4.18Å; L142-F169 PolarHBondContact O-N 3.28Å; L142-F169 VanDerWaalsContact O-N 3.14Å; Y167-F169 HydrophobicContact CD1-CD2 4.24Å; Y167-F169 HydrophobicContact CD1-CE1 4.26Å; Y167-F169 AromaticContact CD1-CE2 3.85Å; Y167-F169 HydrophobicContact CD1-CE2 3.85Å; Y167-F169 AromaticContact CD1-CZ 3.88Å; Y167-F169 HydrophobicContact CD1-CZ 3.88Å; Y167-F169 HydrophobicContact CE1-CD1 4.1Å; Y167-F169 HydrophobicContact CE1-CD2 4.39Å; Y167-F169 AromaticContact CE1-CE1 3.49Å; Y167-F169 HydrophobicContact CE1-CE1 3.49Å; Y167-F169 VanDerWaalsContact CE1-CE1 3.49Å; Y167-F169 AromaticContact CE1-CE2 3.83Å; Y167-F169 HydrophobicContact CE1-CE2 3.83Å; Y167-F169 AromaticContact CE1-CZ 3.36Å; Y167-F169 HydrophobicContact CE1-CZ 3.36Å; F169-A171 PolarHBondContact O-N 3.14Å; F169-P190 HydrophobicContact CD1-CG 4.12Å; F169-P190 HydrophobicContact CE1-CG 3.97Å
170	V	93.9	Very high	95.1	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	27%	0.268	C	S	.	.			trans	-72.8	93.7	-177.7	-169.6	0	0	0	0	110.5	L142 P146 L149 S168 A172 V173	L142-V170 HydrophobicContact CB-CG2 4.22Å; P146-V170 HydrophobicContact CB-CG1 3.96Å; P146-V170 HydrophobicContact CG-CG1 3.85Å; L149-V170 HydrophobicContact CD1-CG2 4.31Å; L149-V170 HydrophobicContact CD2-CB 4.3Å; L149-V170 HydrophobicContact CD2-CG1 4.06Å; L149-V170 HydrophobicContact CD2-CG2 4.46Å; S168-V170 PolarHBondContact OG-N 3.1Å; V170-A172 PolarHBondContact O-N 3.43Å; V170-V173 HydrophobicContact CG1-CG2 4.04Å; V170-V173 PolarHBondContact O-N 2.85Å
171	A	79.9	Confident	95.1	Very high	79 Å²	79	48.9 Å²	48.9	65%	0.653	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.8	-169.5	0	0	0	0	0	114.8	F169 V173 R189	F169-A171 PolarHBondContact O-N 3.14Å; A171-V173 VanDerWaalsContact C-N 3.28Å; A171-V173 PolarHBondContact O-N 2.99Å; A171-R189 PolarHBondContact O-NH2 3.38Å
172	A	86.4	Confident	95.2	Very high	74 Å²	74	43.5 Å²	43.5	61%	0.612	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.4	-174	0	0	0	0	0	114.5	P146 V170	P146-A172 HydrophobicContact CB-CB 3.95Å; P146-A172 HydrophobicContact CG-CB 3.9Å; V170-A172 PolarHBondContact O-N 3.43Å
173	V	93.3	Very high	95.3	Very high	20 Å²	20	43.7 Å²	43.7	12%	0.121	25%	0.252	C	S	.	.	S	Bend	trans	-117.2	112.4	-172.3	-174	0	0	0	0	111.4	L149 V170 A171 R177 L178 R189	L149-V173 HydrophobicContact CD2-CB 3.86Å; L149-V173 HydrophobicContact CD2-CG1 3.89Å; L149-V173 HydrophobicContact CD2-CG2 3.73Å; V170-V173 HydrophobicContact CG1-CG2 4.04Å; V170-V173 PolarHBondContact O-N 2.85Å; A171-V173 VanDerWaalsContact C-N 3.28Å; A171-V173 PolarHBondContact O-N 2.99Å; V173-R177 HydrophobicContact CG1-CB 3.95Å; V173-R177 HydrophobicContact CG1-CG 3.7Å; V173-L178 HydrophobicContact CB-CG 4.49Å; V173-L178 HydrophobicContact CG1-CD2 4.31Å; V173-L178 HydrophobicContact CG1-CG 4.02Å; V173-R189 PolarHBondContact O-NH1 3.49Å
174	P	94.6	Very high	95.5	Very high	75 Å²	75	41 Å²	41	49%	0.487	24%	0.235	S	C	.	.			trans	-65.8	151.2	-174.7	28.6	-35.1	0	0	0	112.3	R177 L178	P174-R177 HydrophobicContact CG-CB 3.87Å; P174-R177 WeakPolarHBondContact O-CA 3.28Å; P174-R177 WeakPolarHBondContact O-CB 3.15Å; P174-R177 PolarHBondContact O-N 3.38Å; P174-L178 PolarHBondContact O-N 2.98Å
175	L	95.6	Very high	95.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-51.9	-44.2	-178.2	-88.3	170.3	0	0	0	114.2	R177 L178 K179 I187 R189 T310 Q313 L314	L175-R177 VanDerWaalsContact C-N 3.25Å; L175-R177 PolarHBondContact O-N 3.03Å; L175-L178 HydrophobicContact CD2-CD1 4.47Å; L175-L178 WeakPolarHBondContact O-CB 3.49Å; L175-L178 PolarHBondContact O-N 3.33Å; L175-K179 PolarHBondContact O-N 3.39Å; L175-I187 HydrophobicContact CD2-CG2 4.01Å; L175-R189 HydrophobicContact CD1-CB 4.48Å; L175-R189 HydrophobicContact CD2-CB 3.69Å; L175-R189 HydrophobicContact CG-CB 4.07Å; L175-T310 HydrophobicContact CD2-CG2 4.42Å; L175-Q313 HydrophobicContact CD1-CB 3.55Å; L175-Q313 HydrophobicContact CD1-CG 4.29Å; L175-L314 HydrophobicContact CB-CD1 4.24Å; L175-L314 HydrophobicContact CB-CD2 4.37Å; L175-L314 HydrophobicContact CB-CG 4.44Å; L175-L314 HydrophobicContact CD1-CD2 4.36Å; L175-L314 HydrophobicContact CD1-CG 4.33Å
176	P	96.8	Very high	95.4	Very high	74 Å²	74	42.5 Å²	42.5	48%	0.481	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-34.2	175.6	-26.1	35.9	0	0	0	113.5	L180 L314	P176-L180 PolarHBondContact O-N 3.01Å; P176-L180 VanDerWaalsContact O-N 3.15Å; P176-L314 HydrophobicContact CG-CD1 3.73Å
177	R	96.7	Very high	95.4	Very high	118 Å²	118	42.5 Å²	42.5	45%	0.445	24%	0.244	S	C	.	.	H	α-helix	trans	-72.4	-41.3	176.6	-178.4	58.3	171.9	162.9	-0.9	111.2	V173 P174 L175 L180 L181	V173-R177 HydrophobicContact CG1-CB 3.95Å; V173-R177 HydrophobicContact CG1-CG 3.7Å; P174-R177 HydrophobicContact CG-CB 3.87Å; P174-R177 WeakPolarHBondContact O-CA 3.28Å; P174-R177 WeakPolarHBondContact O-CB 3.15Å; P174-R177 PolarHBondContact O-N 3.38Å; L175-R177 VanDerWaalsContact C-N 3.25Å; L175-R177 PolarHBondContact O-N 3.03Å; R177-L180 PolarHBondContact O-N 3.33Å; R177-L181 HydrophobicContact CG-CD1 3.93Å; R177-L181 HydrophobicContact CG-CG 4.33Å; R177-L181 WeakPolarHBondContact O-CB 3.48Å; R177-L181 VanDerWaalsContact O-CG 3.28Å; R177-L181 WeakPolarHBondContact O-CG 3.41Å; R177-L181 PolarHBondContact O-N 2.87Å
178	L	96.9	Very high	95.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-47	172.8	-78.2	166.5	0	0	0	111.4	L149 V173 P174 L175 L180 L181 L182 I187	L149-L178 HydrophobicContact CD1-CD2 4.46Å; L149-L178 HydrophobicContact CD2-CD2 3.64Å; V173-L178 HydrophobicContact CB-CG 4.49Å; V173-L178 HydrophobicContact CG1-CD2 4.31Å; V173-L178 HydrophobicContact CG1-CG 4.02Å; P174-L178 PolarHBondContact O-N 2.98Å; L175-L178 HydrophobicContact CD2-CD1 4.47Å; L175-L178 WeakPolarHBondContact O-CB 3.49Å; L175-L178 PolarHBondContact O-N 3.33Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 PolarHBondContact O-N 3.49Å; L178-L181 PolarHBondContact O-N 3.41Å; L178-L182 HydrophobicContact CD2-CD1 4.39Å; L178-L182 WeakPolarHBondContact O-CB 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.44Å; L178-L182 PolarHBondContact O-N 3.08Å; L178-I187 HydrophobicContact CB-CD1 4.24Å
179	K	97.4	Very high	95.3	Very high	74 Å²	74	43.9 Å²	43.9	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-53.1	-49.1	175.6	-174	-176	179.2	165.8	0	111.9	L175 N183 H184 I187 D308 T310	L175-K179 PolarHBondContact O-N 3.39Å; K179-N183 VanDerWaalsContact O-CA 3.26Å; K179-N183 WeakPolarHBondContact O-CA 3.23Å; K179-N183 PolarHBondContact O-N 3.17Å; K179-H184 WeakPolarHBondContact CG-O 3.13Å; K179-H184 PolarHBondContact O-N 3.46Å; K179-I187 HydrophobicContact CB-CD1 4.5Å; K179-D308 IonicContact NZ-OD2 2.61Å; K179-D308 PolarHBondContact NZ-OD2 2.88Å; K179-T310 HydrophobicContact CB-CG2 4.13Å; K179-T310 HydrophobicContact CD-CG2 4.48Å; K179-T310 WeakPolarHBondContact CD-OG1 3.41Å; K179-T310 HydrophobicContact CG-CG2 4.35Å
180	L	97.3	Very high	95.3	Very high	125 Å²	125	42.9 Å²	42.9	65%	0.654	25%	0.245	S	C	*	.	H	α-helix	trans	-66.4	-44.9	-179.2	179.8	64.1	0	0	0	112	P176 R177 L178	P176-L180 PolarHBondContact O-N 3.01Å; P176-L180 VanDerWaalsContact O-N 3.15Å; R177-L180 PolarHBondContact O-N 3.33Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 PolarHBondContact O-N 3.49Å
181	L	96.8	Very high	95.3	Very high	33 Å²	33	45.2 Å²	45.2	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-38.9	-177.7	-74.9	174.6	0	0	0	112.8	C153 R177 L178	C153-L181 HydrophobicContact CB-CB 3.84Å; R177-L181 HydrophobicContact CG-CD1 3.93Å; R177-L181 HydrophobicContact CG-CG 4.33Å; R177-L181 WeakPolarHBondContact O-CB 3.48Å; R177-L181 VanDerWaalsContact O-CG 3.28Å; R177-L181 WeakPolarHBondContact O-CG 3.41Å; R177-L181 PolarHBondContact O-N 2.87Å; L178-L181 PolarHBondContact O-N 3.41Å
182	L	96.9	Very high	96	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-89.7	-12	-178.6	-65.7	168.9	0	0	0	112.9	L142 C153 I156 L160 V166 L178 H184 I187	L142-L182 HydrophobicContact CD1-CD1 4.33Å; C153-L182 HydrophobicContact CB-CD2 4.1Å; C153-L182 VanDerWaalsContact SG-CD2 3.51Å; I156-L182 HydrophobicContact CD1-CD2 3.72Å; I156-L182 HydrophobicContact CG1-CD2 3.92Å; L160-L182 HydrophobicContact CD1-CB 4.18Å; L160-L182 HydrophobicContact CD1-CD2 4.04Å; V166-L182 HydrophobicContact CB-CD1 4.44Å; V166-L182 HydrophobicContact CG1-CD1 3.86Å; L178-L182 HydrophobicContact CD2-CD1 4.39Å; L178-L182 WeakPolarHBondContact O-CB 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.44Å; L178-L182 PolarHBondContact O-N 3.08Å; L182-H184 HydrophobicContact CB-CB 3.99Å; L182-H184 PolarHBondContact O-N 3.25Å; L182-I187 HydrophobicContact CB-CD1 4.39Å; L182-I187 HydrophobicContact CD1-CD1 3.81Å; L182-I187 HydrophobicContact CD1-CG1 4.32Å
183	N	96.4	Very high	96.3	Very high	136 Å²	136	44.6 Å²	44.6	73%	0.727	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	42.1	-168.2	-168.8	36.4	0	0	0	112.5	K179	K179-N183 VanDerWaalsContact O-CA 3.26Å; K179-N183 WeakPolarHBondContact O-CA 3.23Å; K179-N183 PolarHBondContact O-N 3.17Å
184	H	97.2	Very high	96	Very high	13 Å²	13	49 Å²	49	6%	0.06	24%	0.241	C	C	.	.			trans	-136	144.2	-171.1	-164.3	40.9	0	0	0	111.9	L160 E161 K162 S164 K179 L182 N186 I187	L160-H184 HydrophobicContact CD1-CB 4.33Å; E161-H184 PolarHBondContact O-CE1 3.21Å; K162-H184 PolarHBondContact O-CE1 3.32Å; S164-H184 PolarHBondContact O-NE2 3.48Å; K179-H184 WeakPolarHBondContact CG-O 3.13Å; K179-H184 PolarHBondContact O-N 3.46Å; L182-H184 HydrophobicContact CB-CB 3.99Å; L182-H184 PolarHBondContact O-N 3.25Å; H184-N186 WeakPolarHBondContact NE2-CB 3.14Å; H184-I187 HydrophobicContact CB-CD1 4.33Å; H184-I187 HydrophobicContact CB-CG1 4.34Å; H184-I187 WeakPolarHBondContact O-CD1 3.31Å
185	T	97.3	Very high	95.4	Very high	37 Å²	37	46.5 Å²	46.5	23%	0.227	23%	0.228	C	C	.	.	S	Bend	trans	-104.6	-19.2	-179.1	58.9	0	0	0	0	113.3	I187 W306 D308 L309	T185-I187 PolarHBondContact O-N 2.81Å; T185-W306 PolarHBondContact OG1-NE1 3.12Å; T185-D308 HydrophobicContact CG2-CB 4.43Å; T185-L309 WeakPolarHBondContact O-CB 3.33Å; T185-L309 PolarHBondContact O-N 3.26Å; T185-L309 VanDerWaalsContact O-N 3.08Å
186	N	97.9	Very high	94.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.27	C	S	.	.			trans	-89.1	57.6	-175.5	-149.6	28.9	0	0	0	110	T163 S164 I165 V166 H184 N246 W306 L309	T163-N186 PolarHBondContact O-ND2 2.88Å; T163-N186 VanDerWaalsContact O-ND2 3.13Å; S164-N186 WeakPolarHBondContact O-CB 3.42Å; S164-N186 PolarHBondContact O-ND2 2.8Å; I165-N186 WeakPolarHBondContact CA-O 3.39Å; I165-N186 WeakPolarHBondContact CG1-ND2 3.21Å; V166-N186 PolarHBondContact N-O 3.09Å; H184-N186 WeakPolarHBondContact NE2-CB 3.14Å; N186-N246 PolarHBondContact OD1-ND2 2.86Å; N186-N246 VanDerWaalsContact OD1-ND2 3.15Å; N186-W306 HydrophobicContact CB-CZ2 4.17Å; N186-L309 WeakPolarHBondContact OD1-CD1 3.39Å; N186-L309 WeakPolarHBondContact OD1-CG 3.26Å
187	I	98.4	Very high	92.6	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.9	-175.5	-54.7	170	0	0	0	108.8	V166 L175 L178 K179 L182 H184 T185 T310 Q313	V166-I187 HydrophobicContact CB-CG1 4.28Å; V166-I187 CarbonylContact O-C 3.55Å; V166-I187 VanDerWaalsContact O-CA 3.25Å; V166-I187 WeakPolarHBondContact O-CA 3.33Å; L175-I187 HydrophobicContact CD2-CG2 4.01Å; L178-I187 HydrophobicContact CB-CD1 4.24Å; K179-I187 HydrophobicContact CB-CD1 4.5Å; L182-I187 HydrophobicContact CB-CD1 4.39Å; L182-I187 HydrophobicContact CD1-CD1 3.81Å; L182-I187 HydrophobicContact CD1-CG1 4.32Å; H184-I187 HydrophobicContact CB-CD1 4.33Å; H184-I187 HydrophobicContact CB-CG1 4.34Å; H184-I187 WeakPolarHBondContact O-CD1 3.31Å; T185-I187 PolarHBondContact O-N 2.81Å; I187-T310 HydrophobicContact CB-CG2 3.99Å; I187-T310 HydrophobicContact CD1-CG2 4.18Å; I187-T310 HydrophobicContact CG1-CG2 4.39Å; I187-Q313 PolarHBondContact O-NE2 2.92Å
188	L	98.1	Very high	90.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.8	172.4	-171.3	60.7	0	0	0	109.3	F44 I165 V166 Y167 S168 V240	F44-L188 HydrophobicContact CD2-CD2 3.98Å; F44-L188 HydrophobicContact CE1-CD2 4.41Å; F44-L188 HydrophobicContact CE2-CD2 3.75Å; F44-L188 HydrophobicContact CG-CD2 4.38Å; F44-L188 HydrophobicContact CZ-CD2 3.96Å; I165-L188 HydrophobicContact CG2-CB 4.49Å; V166-L188 PolarHBondContact O-N 3.45Å; Y167-L188 CarbonylContact C-O 3.55Å; Y167-L188 VanDerWaalsContact CA-O 3.29Å; Y167-L188 WeakPolarHBondContact CA-O 3.42Å; Y167-L188 HydrophobicContact CD2-CB 4.23Å; Y167-L188 HydrophobicContact CD2-CD2 3.79Å; Y167-L188 HydrophobicContact CD2-CG 4.18Å; Y167-L188 HydrophobicContact CE2-CD2 3.67Å; Y167-L188 HydrophobicContact CE2-CG 4.15Å; S168-L188 PolarHBondContact N-O 3.21Å; L188-V240 HydrophobicContact CD2-CG2 4.01Å
189	R	97.1	Very high	89.1	Confident	29 Å²	29	61.1 Å²	61.1	11%	0.109	32%	0.315	C	S	.	.			trans	-140	106.5	178.6	176.2	169.1	174.4	-128.9	-19.9	110	S168 A171 V173 L175 Q313	S168-R189 WeakPolarHBondContact O-CG 3.47Å; A171-R189 PolarHBondContact O-NH2 3.38Å; V173-R189 PolarHBondContact O-NH1 3.49Å; L175-R189 HydrophobicContact CD1-CB 4.48Å; L175-R189 HydrophobicContact CD2-CB 3.69Å; L175-R189 HydrophobicContact CG-CB 4.07Å; R189-Q313 PolarHBondContact O-OE1 2.87Å
190	P	96.1	Very high	87.9	Confident	8 Å²	8	61.8 Å²	61.8	5%	0.052	33%	0.329	C	S	.	.			trans	-62.7	142.9	171.4	29.9	-36.2	0	0	0	109.8	Y167 F169 Y192 L232 W236	Y167-P190 HydrophobicContact CE1-CG 3.59Å; Y167-P190 WeakPolarHBondContact OH-CG 3.25Å; F169-P190 HydrophobicContact CD1-CG 4.12Å; F169-P190 HydrophobicContact CE1-CG 3.97Å; P190-Y192 HydrophobicContact CB-CE2 3.78Å; P190-Y192 HydrophobicContact CG-CE2 3.94Å; P190-L232 HydrophobicContact CB-CD1 3.95Å; P190-W236 HydrophobicContact CB-CG 4.17Å
191	Q	94.9	Very high	87.3	Confident	52 Å²	52	57.8 Å²	57.8	24%	0.243	31%	0.308	C	S	.	.			trans	-124.1	130.5	174.1	-66.9	-174.9	11.6	0	0	108.4	K233	Q191-K233 HydrophobicContact CB-CB 4.18Å; Q191-K233 HydrophobicContact CB-CD 3.88Å; Q191-K233 HydrophobicContact CB-CG 4.07Å; Q191-K233 PolarHBondContact O-N 2.98Å
192	Y	93.9	Very high	86.9	Confident	41 Å²	41	56.3 Å²	56.3	16%	0.161	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.9	-178.2	-55.2	-85.4	0	0	0	109.2	L33 E36 A37 H40 P190 I230 I231 L232	L33-Y192 HydrophobicContact CD1-CD1 4.14Å; L33-Y192 HydrophobicContact CD1-CD2 3.42Å; L33-Y192 VanDerWaalsContact CD1-CD2 3.42Å; L33-Y192 HydrophobicContact CD1-CE2 3.93Å; L33-Y192 HydrophobicContact CD1-CG 3.53Å; E36-Y192 HydrophobicContact CB-CD1 4.42Å; E36-Y192 HydrophobicContact CB-CE1 3.73Å; E36-Y192 HydrophobicContact CG-CE1 4.45Å; E36-Y192 VanDerWaalsContact OE2-CD1 3.31Å; E36-Y192 WeakPolarHBondContact OE2-CD1 3.32Å; E36-Y192 WeakPolarHBondContact OE2-CE1 3.41Å; A37-Y192 WeakPolarHBondContact CA-OH 3.44Å; H40-Y192 AromaticContact CE1-CE1 3.61Å; H40-Y192 AromaticContact ND1-CE1 3.51Å; H40-Y192 AromaticContact ND1-CZ 3.7Å; H40-Y192 PolarHBondContact ND1-OH 3.36Å; H40-Y192 VanDerWaalsContact ND1-OH 3.08Å; P190-Y192 HydrophobicContact CB-CE2 3.78Å; P190-Y192 HydrophobicContact CG-CE2 3.94Å; Y192-I230 HydrophobicContact CD1-CG2 3.84Å; Y192-I230 HydrophobicContact CG-CG2 4.3Å; Y192-I231 CarbonylContact C-O 3.58Å; Y192-I231 WeakPolarHBondContact CA-O 3.17Å; Y192-L232 HydrophobicContact CD1-CD1 4.06Å; Y192-L232 HydrophobicContact CE1-CD1 3.74Å
193	Q	91.8	Very high	85.9	Confident	100 Å²	100	57.5 Å²	57.5	47%	0.467	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	157.8	169.6	-68.7	178.9	-44	0	0	108.8	I230 I231 K233	Q193-I230 WeakPolarHBondContact O-CA 3.37Å; Q193-I231 HydrophobicContact CB-CB 4.38Å; Q193-I231 PolarHBondContact N-O 3.19Å; Q193-I231 PolarHBondContact O-N 3.38Å; Q193-K233 HydrophobicContact CG-CG 4.26Å; Q193-K233 VanDerWaalsContact NE2-CE 3.28Å
194	Y	88.7	Confident	84.9	Confident	113 Å²	113	54.5 Å²	54.5	44%	0.443	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127	-179.1	-59.6	-78.3	0	0	0	109.4	G229 I230	Y194-G229 WeakPolarHBondContact CA-O 3.47Å; Y194-I230 HydrophobicContact CD1-CG1 4.19Å; Y194-I230 HydrophobicContact CE1-CG1 4.18Å
195	G	82	Confident	83.6	Confident	21 Å²	21	59.6 Å²	59.6	22%	0.216	33%	0.334	C	S	.	.			trans	-75.4	163.8	170.5	0	0	0	0	0	111.4	R29 D197 G229	R29-G195 PolarHBondContact NH2-O 3.36Å; G195-D197 VanDerWaalsContact C-N 3.34Å; G195-G229 PolarHBondContact N-O 3.31Å
196	E	70	Confident	82.6	Confident	190 Å²	190	62.6 Å²	62.6	89%	0.888	34%	0.344	S	S	*	.	S	Bend	trans	-71.7	-31.2	177.2	-65.1	-174.8	169.2	0	0	111.6
197	D	61.9	Low	82.3	Confident	128 Å²	128	70.4 Å²	70.4	68%	0.684	38%	0.378	S	S	*	.			trans	-71.3	130.6	-176.6	-67.4	-33.8	0	0	0	113.6	G195	G195-D197 VanDerWaalsContact C-N 3.34Å
198	S	58	Low	82.1	Confident	85 Å²	85	70.9 Å²	70.9	59%	0.594	38%	0.381	S	S	*	.			trans	-100.1	30.2	-173.2	67.1	0	0	0	0	113.7	S200	S198-S200 PolarHBondContact O-N 2.93Å; S198-S200 VanDerWaalsContact O-N 3.09Å
199	V	63.4	Low	81.9	Confident	97 Å²	97	72.9 Å²	72.9	59%	0.588	39%	0.391	S	S	*	.			trans	-69.8	111.4	-177.8	-170.7	0	0	0	0	109.6	I201	V199-I201 VanDerWaalsContact C-N 3.27Å; V199-I201 HydrophobicContact CB-CG2 4.4Å; V199-I201 HydrophobicContact CG1-CG2 3.71Å; V199-I201 PolarHBondContact O-N 2.85Å
200	S	70.6	Confident	81.7	Confident	88 Å²	88	73.4 Å²	73.4	62%	0.615	40%	0.402	S	S	*	.			trans	-77.8	72.9	-178.9	179.9	0	0	0	0	111.8	S198 W202	S198-S200 PolarHBondContact O-N 2.93Å; S198-S200 VanDerWaalsContact O-N 3.09Å; S200-W202 VanDerWaalsContact C-N 3.34Å
201	I	85.3	Confident	81.6	Confident	41 Å²	41	73 Å²	73	21%	0.21	40%	0.4	C	S	.	.			trans	-80.8	-16.2	175	66.3	171.3	0	0	0	113.1	V199 G203 I217 A220 A227 G228	V199-I201 VanDerWaalsContact C-N 3.27Å; V199-I201 HydrophobicContact CB-CG2 4.4Å; V199-I201 HydrophobicContact CG1-CG2 3.71Å; V199-I201 PolarHBondContact O-N 2.85Å; I201-G203 PolarHBondContact O-N 3.27Å; I201-I217 WeakPolarHBondContact O-CG1 3.46Å; I201-A220 HydrophobicContact CD1-CB 3.16Å; I201-A220 HydrophobicContact CG1-CB 4.45Å; I201-A227 HydrophobicContact CD1-CB 4.19Å; I201-G228 VanDerWaalsContact CD1-N 3.33Å
202	W	88.1	Confident	81.6	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.008	39%	0.389	C	S	.	.	S	Bend	trans	-72.7	0.7	-170.6	-56.6	113.4	0	0	0	114.4	R31 I35 E36 S200 I217 A220 T221 G228 I230	R31-W202 PolarHBondContact NE-O 2.99Å; I35-W202 HydrophobicContact CB-CE3 4.41Å; I35-W202 HydrophobicContact CD1-CB 4.32Å; I35-W202 HydrophobicContact CD1-CE3 4.17Å; I35-W202 HydrophobicContact CG2-CE3 4.36Å; I35-W202 HydrophobicContact CG2-CZ3 4.28Å; E36-W202 HydrophobicContact CG-CH2 3.93Å; E36-W202 HydrophobicContact CG-CZ2 4.46Å; E36-W202 HydrophobicContact CG-CZ3 4.42Å; E36-W202 WeakPolarHBondContact OE1-CH2 3.15Å; S200-W202 VanDerWaalsContact C-N 3.34Å; W202-I217 HydrophobicContact CE3-CG2 3.99Å; W202-I217 HydrophobicContact CZ3-CG2 4.1Å; W202-A220 HydrophobicContact CH2-CB 3.66Å; W202-A220 HydrophobicContact CZ2-CB 4.29Å; W202-A220 HydrophobicContact CZ3-CB 4.03Å; W202-T221 HydrophobicContact CH2-CG2 4.14Å; W202-T221 HydrophobicContact CZ3-CG2 3.77Å; W202-G228 PolarHBondContact NE1-O 2.83Å; W202-I230 HydrophobicContact CZ2-CB 4.24Å; W202-I230 HydrophobicContact CZ2-CD1 4.12Å; W202-I230 HydrophobicContact CZ2-CG1 4.28Å
203	G	77.6	Confident	81.5	Confident	27 Å²	27	74.7 Å²	74.7	28%	0.278	41%	0.409	S	S	.	.			trans	64.3	162.8	-180	0	0	0	0	0	113.7	R31 I201	R31-G203 WeakPolarHBondContact CD-O 3.1Å; R31-G203 PolarHBondContact NE-O 3.17Å; I201-G203 PolarHBondContact O-N 3.27Å
204	A	75.3	Confident	81.6	Confident	72 Å²	72	72 Å²	72	60%	0.595	40%	0.398	S	S	*	.	S	Bend	trans	-100.2	145.8	168.8	0	0	0	0	0	110.2	K206	A204-K206 PolarHBondContact O-N 3.41Å
205	N	68.1	Low	81.7	Confident	120 Å²	120	69.7 Å²	69.7	64%	0.642	40%	0.397	S	S	*	.	S	Bend	trans	57.7	-1.3	163.4	-56.1	-24.2	0	0	0	119.6	D2	D2-N205 VanDerWaalsContact OD2-CB 3.29Å; D2-N205 WeakPolarHBondContact OD2-CB 3.5Å; D2-N205 PolarHBondContact OD2-ND2 3.03Å
206	K	77.9	Confident	82.2	Confident	100 Å²	100	72.2 Å²	72.2	44%	0.435	41%	0.408	S	S	.	.			trans	-71.4	148.9	171	-62	-178.5	-178.1	177.5	0	111	R31 A204 A210 D214	R31-K206 VanDerWaalsContact CZ-O 3.25Å; R31-K206 PolarHBondContact NH1-O 2.97Å; R31-K206 PolarHBondContact NH2-O 3.43Å; A204-K206 PolarHBondContact O-N 3.41Å; K206-A210 HydrophobicContact CB-CB 4.46Å; K206-D214 IonicContact NZ-OD2 3.93Å
207	K	89.9	Confident	83.3	Confident	164 Å²	164	63.4 Å²	63.4	71%	0.713	37%	0.367	S	S	*	.			trans	-66.3	152.8	167.4	-66.7	179.7	-179.9	176.6	0	110	I209 A210 A211	K207-I209 VanDerWaalsContact C-N 3.3Å; K207-I209 PolarHBondContact O-N 3.29Å; K207-A210 PolarHBondContact O-N 3.41Å; K207-A210 VanDerWaalsContact O-N 3.09Å; K207-A211 PolarHBondContact O-N 2.06Å
208	V	94.4	Very high	84.9	Confident	11 Å²	11	57.3 Å²	57.3	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-54.9	-44.5	-179.4	173.7	0	0	0	0	111.8	M34 I35 C38 Q90 A210 A211 L212	M34-V208 HydrophobicContact CG-CG2 3.98Å; I35-V208 HydrophobicContact CG1-CG2 4.46Å; C38-V208 HydrophobicContact CB-CG1 3.68Å; Q90-V208 HydrophobicContact CB-CG2 4.21Å; Q90-V208 HydrophobicContact CG-CG2 4.17Å; V208-A210 VanDerWaalsContact C-N 3.34Å; V208-A210 PolarHBondContact O-N 2.89Å; V208-A211 CarbonylContact O-C 3.6Å; V208-A211 WeakPolarHBondContact O-CA 3.28Å; V208-A211 WeakPolarHBondContact O-CB 3.28Å; V208-A211 PolarHBondContact O-N 3.23Å; V208-L212 HydrophobicContact CG1-CD1 4.08Å; V208-L212 HydrophobicContact CG1-CG 4.32Å; V208-L212 WeakPolarHBondContact O-CG 3.42Å; V208-L212 PolarHBondContact O-N 3.12Å
209	I	93.8	Very high	86.5	Confident	41 Å²	41	56 Å²	56	21%	0.21	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-45.2	177.9	-63.9	155.4	0	0	0	111.9	T94 Q97 L98 K207 A211 L212 Q213	T94-I209 HydrophobicContact CG2-CG1 4.45Å; Q97-I209 HydrophobicContact CB-CD1 3.98Å; Q97-I209 HydrophobicContact CB-CG1 4.47Å; Q97-I209 HydrophobicContact CG-CD1 3.79Å; L98-I209 HydrophobicContact CD2-CG2 4.36Å; K207-I209 VanDerWaalsContact C-N 3.3Å; K207-I209 PolarHBondContact O-N 3.29Å; I209-A211 VanDerWaalsContact C-N 3.25Å; I209-A211 PolarHBondContact O-N 3.49Å; I209-L212 PolarHBondContact O-N 2.99Å; I209-Q213 WeakPolarHBondContact O-CG 3.1Å; I209-Q213 PolarHBondContact O-N 3.1Å
210	A	93.4	Very high	87.9	Confident	41 Å²	41	51.5 Å²	51.5	34%	0.339	29%	0.292	S	S	.	.	H	α-helix	trans	-67	-29.7	178.1	0	0	0	0	0	112	K206 K207 V208	K206-A210 HydrophobicContact CB-CB 4.46Å; K207-A210 PolarHBondContact O-N 3.41Å; K207-A210 VanDerWaalsContact O-N 3.09Å; V208-A210 VanDerWaalsContact C-N 3.34Å; V208-A210 PolarHBondContact O-N 2.89Å
211	A	94	Very high	89.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.1	-38.1	172.9	0	0	0	0	0	111.5	I35 K207 V208 I209 Q213 D214 I217	I35-A211 HydrophobicContact CD1-CB 3.8Å; I35-A211 HydrophobicContact CG1-CB 4.23Å; K207-A211 PolarHBondContact O-N 2.06Å; V208-A211 CarbonylContact O-C 3.6Å; V208-A211 WeakPolarHBondContact O-CA 3.28Å; V208-A211 WeakPolarHBondContact O-CB 3.28Å; V208-A211 PolarHBondContact O-N 3.23Å; I209-A211 VanDerWaalsContact C-N 3.25Å; I209-A211 PolarHBondContact O-N 3.49Å; A211-Q213 PolarHBondContact O-N 3.01Å; A211-D214 WeakPolarHBondContact O-CB 3.43Å; A211-D214 PolarHBondContact O-N 2.66Å; A211-D214 VanDerWaalsContact O-N 3.16Å; A211-I217 HydrophobicContact CB-CD1 4Å; A211-I217 HydrophobicContact CB-CG2 4.16Å; A211-I217 WeakPolarHBondContact O-CB 3.34Å; A211-I217 WeakPolarHBondContact O-CG2 3.42Å
212	L	94.9	Very high	89.6	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-74.2	-11.1	177.3	-63.3	178.4	0	0	0	114.3	I35 A39 T94 L98 V208 I209 L218 T221 F341	I35-L212 HydrophobicContact CG2-CD2 3.6Å; I35-L212 HydrophobicContact CG2-CG 4.4Å; A39-L212 HydrophobicContact CB-CD1 4.36Å; A39-L212 HydrophobicContact CB-CD2 3.55Å; T94-L212 HydrophobicContact CG2-CD1 3.7Å; L98-L212 HydrophobicContact CD1-CB 4.34Å; L98-L212 HydrophobicContact CD1-CD1 3.93Å; V208-L212 HydrophobicContact CG1-CD1 4.08Å; V208-L212 HydrophobicContact CG1-CG 4.32Å; V208-L212 WeakPolarHBondContact O-CG 3.42Å; V208-L212 PolarHBondContact O-N 3.12Å; I209-L212 PolarHBondContact O-N 2.99Å; L212-L218 HydrophobicContact CD2-CD1 4.22Å; L212-T221 HydrophobicContact CD2-CG2 4.47Å; L212-F341 HydrophobicContact CB-CD1 4.47Å; L212-F341 HydrophobicContact CD1-CE1 4.19Å
213	Q	92.5	Very high	89.7	Confident	125 Å²	125	45.8 Å²	45.8	58%	0.584	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.9	170.9	-70.8	174.1	-22.4	0	0	112.7	I209 A211 P215	I209-Q213 WeakPolarHBondContact O-CG 3.1Å; I209-Q213 PolarHBondContact O-N 3.1Å; A211-Q213 PolarHBondContact O-N 3.01Å; Q213-P215 WeakPolarHBondContact O-CD 3.2Å
214	D	92.8	Very high	90.3	Very high	44 Å²	44	47.6 Å²	47.6	24%	0.235	26%	0.255	C	S	.	.	S	Bend	trans	-82.9	118.3	176.3	-175.3	-59.4	0	0	0	108.8	K206 A211 T216 I217 L218	K206-D214 IonicContact NZ-OD2 3.93Å; A211-D214 WeakPolarHBondContact O-CB 3.43Å; A211-D214 PolarHBondContact O-N 2.66Å; A211-D214 VanDerWaalsContact O-N 3.16Å; D214-T216 VanDerWaalsContact C-N 3.28Å; D214-T216 PolarHBondContact O-N 2.95Å; D214-T216 WeakPolarHBondContact OD1-CB 3.26Å; D214-T216 PolarHBondContact OD1-N 3.17Å; D214-T216 VanDerWaalsContact OD1-N 3.09Å; D214-I217 HydrophobicContact CB-CB 4.09Å; D214-I217 HydrophobicContact CB-CD1 4.01Å; D214-I217 HydrophobicContact CB-CG1 4.09Å; D214-I217 PolarHBondContact O-N 2.79Å; D214-I217 PolarHBondContact OD1-N 3.18Å; D214-L218 WeakPolarHBondContact O-CB 3.33Å; D214-L218 PolarHBondContact O-N 2.67Å
215	P	92.4	Very high	91	Very high	64 Å²	64	45.2 Å²	45.2	42%	0.416	23%	0.233	S	C	.	.	H	α-helix	trans	-57.2	-38.6	-175.5	-26.6	34.4	0	0	0	113.8	Q213 Q219 I343	Q213-P215 WeakPolarHBondContact O-CD 3.2Å; P215-Q219 VanDerWaalsContact O-CB 3.23Å; P215-Q219 WeakPolarHBondContact O-CB 3.42Å; P215-Q219 PolarHBondContact O-N 3.04Å; P215-I343 HydrophobicContact CB-CD1 4.29Å; P215-I343 HydrophobicContact CB-CG2 4Å; P215-I343 HydrophobicContact CG-CD1 4.15Å; P215-I343 HydrophobicContact CG-CG2 4.29Å
216	T	91.9	Very high	92	Very high	75 Å²	75	43.3 Å²	43.3	46%	0.46	23%	0.227	S	C	.	.	H	α-helix	trans	-69.4	-43.4	-178.8	-59.8	0	0	0	0	111	D214 A220	D214-T216 VanDerWaalsContact C-N 3.28Å; D214-T216 PolarHBondContact O-N 2.95Å; D214-T216 WeakPolarHBondContact OD1-CB 3.26Å; D214-T216 PolarHBondContact OD1-N 3.17Å; D214-T216 VanDerWaalsContact OD1-N 3.09Å; T216-A220 PolarHBondContact O-N 2.87Å
217	I	93.6	Very high	92.5	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-44.3	176.5	-63.2	178.4	0	0	0	110.6	I35 I201 W202 A211 D214 Q219 A220 T221	I35-I217 HydrophobicContact CD1-CG2 4.42Å; I35-I217 HydrophobicContact CG2-CG2 3.88Å; I201-I217 WeakPolarHBondContact O-CG1 3.46Å; W202-I217 HydrophobicContact CE3-CG2 3.99Å; W202-I217 HydrophobicContact CZ3-CG2 4.1Å; A211-I217 HydrophobicContact CB-CD1 4Å; A211-I217 HydrophobicContact CB-CG2 4.16Å; A211-I217 WeakPolarHBondContact O-CB 3.34Å; A211-I217 WeakPolarHBondContact O-CG2 3.42Å; D214-I217 HydrophobicContact CB-CB 4.09Å; D214-I217 HydrophobicContact CB-CD1 4.01Å; D214-I217 HydrophobicContact CB-CG1 4.09Å; D214-I217 PolarHBondContact O-N 2.79Å; D214-I217 PolarHBondContact OD1-N 3.18Å; I217-Q219 PolarHBondContact O-N 3.13Å; I217-A220 WeakPolarHBondContact O-CB 3.48Å; I217-A220 PolarHBondContact O-N 2.86Å; I217-T221 PolarHBondContact O-N 2.83Å
218	L	94.6	Very high	92.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-44.8	-179.9	-176.1	71.7	0	0	0	111.3	L212 D214 A220 T221 C222 Y337 C338 F341 I343	L212-L218 HydrophobicContact CD2-CD1 4.22Å; D214-L218 WeakPolarHBondContact O-CB 3.33Å; D214-L218 PolarHBondContact O-N 2.67Å; L218-A220 PolarHBondContact O-N 3.23Å; L218-T221 WeakPolarHBondContact O-CA 3.37Å; L218-T221 PolarHBondContact O-N 2.83Å; L218-T221 PolarHBondContact O-OG1 2.8Å; L218-C222 PolarHBondContact O-N 3.49Å; L218-Y337 HydrophobicContact CD1-CE1 4.01Å; L218-Y337 HydrophobicContact CG-CE1 4.37Å; L218-C338 HydrophobicContact CD2-CB 4.46Å; L218-F341 HydrophobicContact CD1-CB 4.15Å; L218-F341 HydrophobicContact CD1-CD1 4.03Å; L218-F341 HydrophobicContact CD1-CD2 3.61Å; L218-F341 HydrophobicContact CD1-CE1 4.35Å; L218-F341 HydrophobicContact CD1-CE2 3.97Å; L218-F341 HydrophobicContact CD1-CG 3.67Å; L218-F341 HydrophobicContact CD1-CZ 4.33Å; L218-F341 HydrophobicContact CD2-CB 3.52Å; L218-F341 HydrophobicContact CD2-CD2 4.03Å; L218-F341 HydrophobicContact CD2-CG 3.94Å; L218-F341 HydrophobicContact CG-CD2 4.4Å; L218-F341 HydrophobicContact CG-CG 4.48Å; L218-I343 HydrophobicContact CB-CD1 4Å; L218-I343 HydrophobicContact CD2-CB 3.92Å; L218-I343 HydrophobicContact CD2-CD1 3.48Å; L218-I343 VanDerWaalsContact CD2-CD1 3.48Å; L218-I343 HydrophobicContact CD2-CG1 3.76Å; L218-I343 HydrophobicContact CG-CD1 4.37Å
219	Q	92.8	Very high	91.9	Very high	59 Å²	59	33 Å²	33	28%	0.276	20%	0.195	S	C	.	.	H	α-helix	trans	-60.5	-31.7	177.7	-171.9	-179.4	16	0	0	112	P215 I217 T221 C222 S225 L345	P215-Q219 VanDerWaalsContact O-CB 3.23Å; P215-Q219 WeakPolarHBondContact O-CB 3.42Å; P215-Q219 PolarHBondContact O-N 3.04Å; I217-Q219 PolarHBondContact O-N 3.13Å; Q219-T221 VanDerWaalsContact C-N 3.3Å; Q219-T221 PolarHBondContact O-N 3.35Å; Q219-C222 VanDerWaalsContact O-CB 3.31Å; Q219-C222 WeakPolarHBondContact O-CB 3.5Å; Q219-C222 PolarHBondContact O-N 2.9Å; Q219-S225 VanDerWaalsContact O-CB 3.26Å; Q219-S225 WeakPolarHBondContact O-CB 3.43Å; Q219-S225 PolarHBondContact O-OG 3.48Å; Q219-L345 HydrophobicContact CG-CD2 4.39Å
220	A	93.1	Very high	91.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-68	-29.6	173.3	0	0	0	0	0	113.7	I201 W202 T216 I217 L218 C222 A227	I201-A220 HydrophobicContact CD1-CB 3.16Å; I201-A220 HydrophobicContact CG1-CB 4.45Å; W202-A220 HydrophobicContact CH2-CB 3.66Å; W202-A220 HydrophobicContact CZ2-CB 4.29Å; W202-A220 HydrophobicContact CZ3-CB 4.03Å; T216-A220 PolarHBondContact O-N 2.87Å; I217-A220 WeakPolarHBondContact O-CB 3.48Å; I217-A220 PolarHBondContact O-N 2.86Å; L218-A220 PolarHBondContact O-N 3.23Å; A220-C222 PolarHBondContact O-N 2.87Å; A220-A227 HydrophobicContact CB-CB 3.85Å
221	T	95.3	Very high	91.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	1.8	172.7	71.5	0	0	0	0	113.9	I35 E36 A39 H40 W202 L212 I217 L218 Q219 Y337	I35-T221 HydrophobicContact CG2-CG2 3.92Å; E36-T221 HydrophobicContact CG-CG2 4.26Å; A39-T221 HydrophobicContact CB-CG2 4.06Å; H40-T221 PolarHBondContact NE2-O 3.11Å; W202-T221 HydrophobicContact CH2-CG2 4.14Å; W202-T221 HydrophobicContact CZ3-CG2 3.77Å; L212-T221 HydrophobicContact CD2-CG2 4.47Å; I217-T221 PolarHBondContact O-N 2.83Å; L218-T221 WeakPolarHBondContact O-CA 3.37Å; L218-T221 PolarHBondContact O-N 2.83Å; L218-T221 PolarHBondContact O-OG1 2.8Å; Q219-T221 VanDerWaalsContact C-N 3.3Å; Q219-T221 PolarHBondContact O-N 3.35Å; T221-Y337 WeakPolarHBondContact CB-OH 3.45Å; T221-Y337 PolarHBondContact O-OH 2.8Å; T221-Y337 WeakPolarHBondContact OG1-CE1 3.43Å; T221-Y337 PolarHBondContact OG1-OH 2.77Å
222	C	94.9	Very high	91.8	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.034	19%	0.185	C	C	.	.	S	Bend	trans	-65.2	141.7	179.4	-74.1	0	0	0	0	110.7	L218 Q219 A220 Y224 S225 T334 Y337	L218-C222 PolarHBondContact O-N 3.49Å; Q219-C222 VanDerWaalsContact O-CB 3.31Å; Q219-C222 WeakPolarHBondContact O-CB 3.5Å; Q219-C222 PolarHBondContact O-N 2.9Å; A220-C222 PolarHBondContact O-N 2.87Å; C222-Y224 PolarHBondContact O-N 3.16Å; C222-S225 WeakPolarHBondContact O-CB 3.3Å; C222-S225 PolarHBondContact O-N 3.04Å; C222-T334 HydrophobicContact CB-CG2 4.22Å; C222-Y337 HydrophobicContact CB-CD1 4.45Å; C222-Y337 VanDerWaalsContact SG-CD1 3.52Å
223	P	90.7	Very high	91.8	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.045	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.6	-174.4	-30.9	36.6	0	0	0	117.2	L232 I234 W236 L237 Y337	P223-L232 HydrophobicContact CB-CD2 4.05Å; P223-L232 HydrophobicContact CG-CD2 4.41Å; P223-I234 HydrophobicContact CB-CD1 3.93Å; P223-W236 HydrophobicContact CG-CZ3 4.09Å; P223-L237 HydrophobicContact CB-CD2 4.19Å; P223-L237 HydrophobicContact CG-CD2 4.5Å; P223-Y337 HydrophobicContact CG-CD2 4.4Å
224	Y	90.3	Very high	91.9	Very high	65 Å²	65	32.1 Å²	32.1	26%	0.255	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-1	179.6	-62.4	-79.2	0	0	0	113.5	C222 I234 L237 Q330	C222-Y224 PolarHBondContact O-N 3.16Å; Y224-I234 HydrophobicContact CD1-CD1 3.84Å; Y224-I234 HydrophobicContact CD1-CG1 4.34Å; Y224-I234 HydrophobicContact CD2-CD1 4.37Å; Y224-I234 HydrophobicContact CE1-CD1 3.31Å; Y224-I234 HydrophobicContact CE1-CG1 3.57Å; Y224-I234 HydrophobicContact CE2-CD1 3.9Å; Y224-I234 HydrophobicContact CG-CD1 4.34Å; Y224-L237 HydrophobicContact CE2-CD2 3.83Å; Y224-Q330 HydrophobicContact CD1-CG 4.39Å; Y224-Q330 HydrophobicContact CD2-CB 4.14Å; Y224-Q330 HydrophobicContact CE1-CB 4.29Å; Y224-Q330 HydrophobicContact CE1-CG 3.75Å; Y224-Q330 HydrophobicContact CE2-CB 3.83Å; Y224-Q330 HydrophobicContact CE2-CG 4.04Å
225	S	90.3	Very high	92	Very high	22 Å²	22	31.7 Å²	31.7	15%	0.154	18%	0.18	C	C	.	.			trans	-82	129.5	-175.7	-168.2	0	0	0	0	110.6	Q219 C222 A227	Q219-S225 VanDerWaalsContact O-CB 3.26Å; Q219-S225 WeakPolarHBondContact O-CB 3.43Å; Q219-S225 PolarHBondContact O-OG 3.48Å; C222-S225 WeakPolarHBondContact O-CB 3.3Å; C222-S225 PolarHBondContact O-N 3.04Å; S225-A227 VanDerWaalsContact C-N 3.29Å; S225-A227 WeakPolarHBondContact OG-CB 3.41Å; S225-A227 PolarHBondContact OG-N 2.87Å
226	P	88.4	Confident	92.2	Very high	79 Å²	79	28.8 Å²	28.8	51%	0.513	16%	0.161	S	C	.	.			trans	-87.4	-1.2	168.1	35.3	-34.3	0	0	0	112.6	G229 I231	P226-G229 PolarHBondContact O-N 2.92Å; P226-I231 HydrophobicContact CB-CD1 4.44Å; P226-I231 HydrophobicContact CB-CG1 4.44Å
227	A	88.3	Confident	92.4	Very high	43 Å²	43	25.3 Å²	25.3	36%	0.355	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-63.7	141.5	-171.4	0	0	0	0	0	111.8	I201 A220 S225 G229	I201-A227 HydrophobicContact CD1-CB 4.19Å; A220-A227 HydrophobicContact CB-CB 3.85Å; S225-A227 VanDerWaalsContact C-N 3.29Å; S225-A227 WeakPolarHBondContact OG-CB 3.41Å; S225-A227 PolarHBondContact OG-N 2.87Å; A227-G229 VanDerWaalsContact C-N 3.26Å; A227-G229 PolarHBondContact O-N 3.39Å
228	G	84.8	Confident	92.6	Very high	11 Å²	11	25.3 Å²	25.3	11%	0.113	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	77	8.1	-179.8	0	0	0	0	0	115.2	I201 W202 I230	I201-G228 VanDerWaalsContact CD1-N 3.33Å; W202-G228 PolarHBondContact NE1-O 2.83Å; G228-I230 PolarHBondContact O-N 2.94Å
229	G	88.2	Confident	92.7	Very high	6 Å²	6	25.3 Å²	25.3	6%	0.062	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	71.8	15.4	170.2	0	0	0	0	0	114.2	Y194 G195 P226 A227	Y194-G229 WeakPolarHBondContact CA-O 3.47Å; G195-G229 PolarHBondContact N-O 3.31Å; P226-G229 PolarHBondContact O-N 2.92Å; A227-G229 VanDerWaalsContact C-N 3.26Å; A227-G229 PolarHBondContact O-N 3.39Å
230	I	91.3	Very high	93	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.9	171	-55.8	179.1	0	0	0	106.6	R29 L33 E36 Y192 Q193 Y194 W202 G228	R29-I230 WeakPolarHBondContact O-CD1 3.47Å; L33-I230 HydrophobicContact CB-CD1 4.31Å; E36-I230 HydrophobicContact CG-CB 4.49Å; E36-I230 HydrophobicContact CG-CG2 4.09Å; Y192-I230 HydrophobicContact CD1-CG2 3.84Å; Y192-I230 HydrophobicContact CG-CG2 4.3Å; Q193-I230 WeakPolarHBondContact O-CA 3.37Å; Y194-I230 HydrophobicContact CD1-CG1 4.19Å; Y194-I230 HydrophobicContact CE1-CG1 4.18Å; W202-I230 HydrophobicContact CZ2-CB 4.24Å; W202-I230 HydrophobicContact CZ2-CD1 4.12Å; W202-I230 HydrophobicContact CZ2-CG1 4.28Å; G228-I230 PolarHBondContact O-N 2.94Å
231	I	92.1	Very high	93.2	Very high	59 Å²	59	22.5 Å²	22.5	30%	0.303	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.5	-174.4	-53.8	176.3	0	0	0	108	Y192 Q193 P226	Y192-I231 CarbonylContact C-O 3.58Å; Y192-I231 WeakPolarHBondContact CA-O 3.17Å; Q193-I231 HydrophobicContact CB-CB 4.38Å; Q193-I231 PolarHBondContact N-O 3.19Å; Q193-I231 PolarHBondContact O-N 3.38Å; P226-I231 HydrophobicContact CB-CD1 4.44Å; P226-I231 HydrophobicContact CB-CG1 4.44Å
232	L	94.8	Very high	93.4	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.042	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.6	172.5	-177.7	66.6	0	0	0	110.3	H40 P190 Y192 P223 I234 W236	H40-L232 VanDerWaalsContact CE1-CD2 3.42Å; H40-L232 WeakPolarHBondContact CE1-CD2 3.36Å; P190-L232 HydrophobicContact CB-CD1 3.95Å; Y192-L232 HydrophobicContact CD1-CD1 4.06Å; Y192-L232 HydrophobicContact CE1-CD1 3.74Å; P223-L232 HydrophobicContact CB-CD2 4.05Å; P223-L232 HydrophobicContact CG-CD2 4.41Å; L232-I234 PolarHBondContact O-N 3.24Å; L232-W236 HydrophobicContact CD1-CB 4.11Å; L232-W236 HydrophobicContact CD1-CG 4.32Å; L232-W236 HydrophobicContact CD2-CB 4.33Å; L232-W236 HydrophobicContact CD2-CD2 3.96Å; L232-W236 HydrophobicContact CD2-CE3 3.4Å; L232-W236 VanDerWaalsContact CD2-CE3 3.4Å; L232-W236 HydrophobicContact CD2-CG 4.36Å; L232-W236 HydrophobicContact CD2-CZ3 3.96Å; L232-W236 HydrophobicContact CG-CB 4.35Å
233	K	94.8	Very high	93.5	Very high	75 Å²	75	22.4 Å²	22.4	33%	0.326	13%	0.125	S	C	.	.			trans	-69.6	121.9	168.5	-68.6	-164.6	-174.6	172.9	0	110.4	Q191 Q193 K235 W236	Q191-K233 HydrophobicContact CB-CB 4.18Å; Q191-K233 HydrophobicContact CB-CD 3.88Å; Q191-K233 HydrophobicContact CB-CG 4.07Å; Q191-K233 PolarHBondContact O-N 2.98Å; Q193-K233 HydrophobicContact CG-CG 4.26Å; Q193-K233 VanDerWaalsContact NE2-CE 3.28Å; K233-K235 PolarHBondContact O-N 3Å; K233-W236 WeakPolarHBondContact O-CB 3.35Å; K233-W236 PolarHBondContact O-N 3.44Å
234	I	94.8	Very high	93.8	Very high	47 Å²	47	22.2 Å²	22.2	24%	0.241	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.5	-172.4	-160.1	59.7	0	0	0	115.2	P223 Y224 L232 W236 L237 E238	P223-I234 HydrophobicContact CB-CD1 3.93Å; Y224-I234 HydrophobicContact CD1-CD1 3.84Å; Y224-I234 HydrophobicContact CD1-CG1 4.34Å; Y224-I234 HydrophobicContact CD2-CD1 4.37Å; Y224-I234 HydrophobicContact CE1-CD1 3.31Å; Y224-I234 HydrophobicContact CE1-CG1 3.57Å; Y224-I234 HydrophobicContact CE2-CD1 3.9Å; Y224-I234 HydrophobicContact CG-CD1 4.34Å; L232-I234 PolarHBondContact O-N 3.24Å; I234-W236 PolarHBondContact O-N 3.07Å; I234-L237 HydrophobicContact CD1-CB 3.79Å; I234-L237 HydrophobicContact CD1-CD2 3.72Å; I234-L237 HydrophobicContact CD1-CG 4.43Å; I234-L237 HydrophobicContact CG1-CB 4.39Å; I234-L237 WeakPolarHBondContact O-CB 3.42Å; I234-L237 PolarHBondContact O-N 3.14Å; I234-E238 PolarHBondContact O-N 2.86Å
235	K	95.6	Very high	94.2	Very high	36 Å²	36	19.1 Å²	19.1	16%	0.157	11%	0.112	C	C	.	.	H	α-helix	trans	-52.3	-26.4	170.1	-70.8	-71	168.5	-161.9	0	113.3	K233 E238 G239 K315 E316 S320	K233-K235 PolarHBondContact O-N 3Å; K235-E238 WeakPolarHBondContact CD-OE1 3.36Å; K235-E238 WeakPolarHBondContact CE-OE1 3.39Å; K235-E238 IonicContact NZ-OE1 3.95Å; K235-E238 PolarHBondContact NZ-OE1 3.21Å; K235-E238 IonicContact NZ-OE2 2.7Å; K235-G239 PolarHBondContact O-N 2.9Å; K235-K315 PolarHBondContact NZ-O 3.26Å; K235-E316 VanDerWaalsContact CE-OE1 3.31Å; K235-E316 WeakPolarHBondContact CE-OE1 3.19Å; K235-E316 IonicContact NZ-OE1 3.33Å; K235-E316 PolarHBondContact NZ-OE1 2.87Å; K235-E316 IonicContact NZ-OE2 4Å; K235-S320 PolarHBondContact NZ-OG 3.09Å
236	W	96.5	Very high	94.5	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.011	10%	0.104	C	C	.	.	H	α-helix	trans	-61.6	-46.8	171.6	174.3	79.7	0	0	0	112.1	H40 F43 F44 Y167 P190 P223 L232 K233 I234 E238 G239 V240	H40-W236 HydrophobicContact CB-CH2 3.82Å; H40-W236 HydrophobicContact CB-CZ2 3.6Å; H40-W236 WeakPolarHBondContact O-CZ2 3.42Å; F43-W236 AromaticContact CD1-CH2 3.84Å; F43-W236 HydrophobicContact CD1-CH2 3.84Å; F43-W236 HydrophobicContact CD1-CZ3 4.47Å; F44-W236 HydrophobicContact CB-CZ2 4.4Å; Y167-W236 AromaticContact CE2-NE1 3.64Å; Y167-W236 AromaticContact CZ-NE1 3.58Å; Y167-W236 PolarHBondContact OH-NE1 3.42Å; P190-W236 HydrophobicContact CB-CG 4.17Å; P223-W236 HydrophobicContact CG-CZ3 4.09Å; L232-W236 HydrophobicContact CD1-CB 4.11Å; L232-W236 HydrophobicContact CD1-CG 4.32Å; L232-W236 HydrophobicContact CD2-CB 4.33Å; L232-W236 HydrophobicContact CD2-CD2 3.96Å; L232-W236 HydrophobicContact CD2-CE3 3.4Å; L232-W236 VanDerWaalsContact CD2-CE3 3.4Å; L232-W236 HydrophobicContact CD2-CG 4.36Å; L232-W236 HydrophobicContact CD2-CZ3 3.96Å; L232-W236 HydrophobicContact CG-CB 4.35Å; K233-W236 WeakPolarHBondContact O-CB 3.35Å; K233-W236 PolarHBondContact O-N 3.44Å; I234-W236 PolarHBondContact O-N 3.07Å; W236-E238 VanDerWaalsContact C-N 3.32Å; W236-E238 PolarHBondContact O-N 3.13Å; W236-G239 CarbonylContact O-C 3.34Å; W236-G239 WeakPolarHBondContact O-CA 3.39Å; W236-G239 PolarHBondContact O-N 3.42Å; W236-V240 HydrophobicContact CD2-CG2 4.1Å; W236-V240 HydrophobicContact CE3-CG2 4.28Å; W236-V240 HydrophobicContact CH2-CG2 4.01Å; W236-V240 HydrophobicContact CZ2-CG2 3.7Å; W236-V240 HydrophobicContact CZ3-CG2 4.26Å; W236-V240 WeakPolarHBondContact O-CG2 3.41Å; W236-V240 PolarHBondContact O-N 2.98Å
237	L	96.4	Very high	94.9	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-64.5	-39.3	-179.9	-172.1	60.1	0	0	0	110.8	F43 P223 Y224 I234 G239 V240 F241 L333	F43-L237 HydrophobicContact CE1-CD1 4.43Å; P223-L237 HydrophobicContact CB-CD2 4.19Å; P223-L237 HydrophobicContact CG-CD2 4.5Å; Y224-L237 HydrophobicContact CE2-CD2 3.83Å; I234-L237 HydrophobicContact CD1-CB 3.79Å; I234-L237 HydrophobicContact CD1-CD2 3.72Å; I234-L237 HydrophobicContact CD1-CG 4.43Å; I234-L237 HydrophobicContact CG1-CB 4.39Å; I234-L237 WeakPolarHBondContact O-CB 3.42Å; I234-L237 PolarHBondContact O-N 3.14Å; L237-G239 VanDerWaalsContact C-N 3.33Å; L237-G239 PolarHBondContact O-N 3.41Å; L237-V240 WeakPolarHBondContact O-CB 3.41Å; L237-V240 PolarHBondContact O-N 2.96Å; L237-V240 VanDerWaalsContact O-N 3.15Å; L237-F241 HydrophobicContact CD1-CE2 4.45Å; L237-F241 HydrophobicContact CG-CE2 4.44Å; L237-F241 WeakPolarHBondContact O-CD2 3.08Å; L237-F241 PolarHBondContact O-N 2.9Å; L237-L333 HydrophobicContact CD2-CB 4.43Å; L237-L333 HydrophobicContact CD2-CD1 3.79Å
238	E	96.1	Very high	95.2	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-55.8	-49.7	169.4	-61.4	-175.9	-135.3	0	0	111	I234 K235 W236 V240 F241 Y242 V312 T317 F319 S320 L323	I234-E238 PolarHBondContact O-N 2.86Å; K235-E238 WeakPolarHBondContact CD-OE1 3.36Å; K235-E238 WeakPolarHBondContact CE-OE1 3.39Å; K235-E238 IonicContact NZ-OE1 3.95Å; K235-E238 PolarHBondContact NZ-OE1 3.21Å; K235-E238 IonicContact NZ-OE2 2.7Å; W236-E238 VanDerWaalsContact C-N 3.32Å; W236-E238 PolarHBondContact O-N 3.13Å; E238-V240 PolarHBondContact O-N 3.26Å; E238-F241 WeakPolarHBondContact O-CB 3.37Å; E238-F241 PolarHBondContact O-N 3.45Å; E238-Y242 VanDerWaalsContact O-CD2 3.28Å; E238-Y242 WeakPolarHBondContact O-CD2 3.48Å; E238-Y242 PolarHBondContact O-N 3.3Å; E238-V312 HydrophobicContact CB-CG1 4.17Å; E238-T317 PolarHBondContact OE2-OG1 3.24Å; E238-F319 HydrophobicContact CB-CD1 4.38Å; E238-F319 HydrophobicContact CG-CD1 4.14Å; E238-S320 WeakPolarHBondContact OE1-CA 3.43Å; E238-S320 VanDerWaalsContact OE1-CB 3.24Å; E238-S320 WeakPolarHBondContact OE1-CB 3.4Å; E238-S320 PolarHBondContact OE1-OG 2.91Å; E238-S320 PolarHBondContact OE2-OG 2.96Å; E238-L323 HydrophobicContact CG-CD1 3.65Å
239	G	97.9	Very high	95.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-55.5	-35	176.7	0	0	0	0	0	113.8	K235 W236 L237 A243	K235-G239 PolarHBondContact O-N 2.9Å; W236-G239 CarbonylContact O-C 3.34Å; W236-G239 WeakPolarHBondContact O-CA 3.39Å; W236-G239 PolarHBondContact O-N 3.42Å; L237-G239 VanDerWaalsContact C-N 3.33Å; L237-G239 PolarHBondContact O-N 3.41Å; G239-A243 VanDerWaalsContact O-CB 3.27Å; G239-A243 WeakPolarHBondContact O-CB 3.48Å; G239-A243 PolarHBondContact O-N 3.13Å
240	V	98.2	Very high	96	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	9%	0.087	C	C	.	.	H	α-helix	trans	-63.1	-45.5	174.3	173.1	0	0	0	0	111.6	F44 L47 L188 W236 L237 E238 A243 A244 F266	F44-V240 HydrophobicContact CD2-CB 4.33Å; F44-V240 HydrophobicContact CD2-CG1 3.99Å; F44-V240 HydrophobicContact CD2-CG2 3.8Å; F44-V240 HydrophobicContact CE2-CG1 4.41Å; F44-V240 HydrophobicContact CE2-CG2 4.32Å; L47-V240 HydrophobicContact CD1-CG1 3.54Å; L188-V240 HydrophobicContact CD2-CG2 4.01Å; W236-V240 HydrophobicContact CD2-CG2 4.1Å; W236-V240 HydrophobicContact CE3-CG2 4.28Å; W236-V240 HydrophobicContact CH2-CG2 4.01Å; W236-V240 HydrophobicContact CZ2-CG2 3.7Å; W236-V240 HydrophobicContact CZ3-CG2 4.26Å; W236-V240 WeakPolarHBondContact O-CG2 3.41Å; W236-V240 PolarHBondContact O-N 2.98Å; L237-V240 WeakPolarHBondContact O-CB 3.41Å; L237-V240 PolarHBondContact O-N 2.96Å; L237-V240 VanDerWaalsContact O-N 3.15Å; E238-V240 PolarHBondContact O-N 3.26Å; V240-A243 PolarHBondContact O-N 3.19Å; V240-A244 PolarHBondContact O-N 3.39Å; V240-A244 VanDerWaalsContact O-N 3.15Å; V240-F266 HydrophobicContact CG1-CE1 4.28Å; V240-F266 HydrophobicContact CG1-CZ 4.22Å
241	F	97.9	Very high	96	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-48.4	176.3	-87	-98.2	0	0	0	112.1	L237 E238 A243 A244 L245 F266 F284 F289 F319 L333	L237-F241 HydrophobicContact CD1-CE2 4.45Å; L237-F241 HydrophobicContact CG-CE2 4.44Å; L237-F241 WeakPolarHBondContact O-CD2 3.08Å; L237-F241 PolarHBondContact O-N 2.9Å; E238-F241 WeakPolarHBondContact O-CB 3.37Å; E238-F241 PolarHBondContact O-N 3.45Å; F241-A243 VanDerWaalsContact C-N 3.26Å; F241-A243 PolarHBondContact O-N 2.93Å; F241-A244 WeakPolarHBondContact O-CB 3.4Å; F241-A244 PolarHBondContact O-N 2.88Å; F241-A244 VanDerWaalsContact O-N 3.15Å; F241-L245 PolarHBondContact O-N 3.4Å; F241-F266 HydrophobicContact CD1-CD2 4.09Å; F241-F266 AromaticContact CD1-CE2 3.96Å; F241-F266 HydrophobicContact CD1-CE2 3.96Å; F241-F266 HydrophobicContact CD1-CG 4.44Å; F241-F266 HydrophobicContact CD1-CZ 4.19Å; F241-F266 HydrophobicContact CD2-CD1 4.41Å; F241-F266 AromaticContact CD2-CE1 3.98Å; F241-F266 HydrophobicContact CD2-CE1 3.98Å; F241-F266 HydrophobicContact CD2-CZ 4.15Å; F241-F266 HydrophobicContact CE1-CB 4.03Å; F241-F266 AromaticContact CE1-CD1 3.87Å; F241-F266 HydrophobicContact CE1-CD1 3.87Å; F241-F266 AromaticContact CE1-CD2 3.51Å; F241-F266 HydrophobicContact CE1-CD2 3.51Å; F241-F266 HydrophobicContact CE1-CE1 4.16Å; F241-F266 AromaticContact CE1-CE2 3.85Å; F241-F266 HydrophobicContact CE1-CE2 3.85Å; F241-F266 AromaticContact CE1-CG 3.53Å; F241-F266 HydrophobicContact CE1-CG 3.53Å; F241-F266 HydrophobicContact CE1-CZ 4.15Å; F241-F266 AromaticContact CE2-CD1 3.59Å; F241-F266 HydrophobicContact CE2-CD1 3.59Å; F241-F266 AromaticContact CE2-CE1 3.57Å; F241-F266 HydrophobicContact CE2-CE1 3.57Å; F241-F266 HydrophobicContact CE2-CG 4.14Å; F241-F266 HydrophobicContact CE2-CZ 4.12Å; F241-F266 HydrophobicContact CG-CE1 4.46Å; F241-F266 HydrophobicContact CG-CE2 4.41Å; F241-F266 HydrophobicContact CG-CZ 4.2Å; F241-F266 HydrophobicContact CZ-CB 3.8Å; F241-F266 AromaticContact CZ-CD1 3.27Å; F241-F266 HydrophobicContact CZ-CD1 3.27Å; F241-F266 AromaticContact CZ-CD2 3.84Å; F241-F266 HydrophobicContact CZ-CD2 3.84Å; F241-F266 AromaticContact CZ-CE1 3.67Å; F241-F266 HydrophobicContact CZ-CE1 3.67Å; F241-F266 HydrophobicContact CZ-CE2 4.2Å; F241-F266 AromaticContact CZ-CG 3.35Å; F241-F266 HydrophobicContact CZ-CG 3.35Å; F241-F266 HydrophobicContact CZ-CZ 4.12Å; F241-F284 AromaticContact CE1-CE1 3.94Å; F241-F284 HydrophobicContact CE1-CE1 3.94Å; F241-F284 HydrophobicContact CE1-CE2 4.07Å; F241-F284 AromaticContact CE1-CZ 3.51Å; F241-F284 HydrophobicContact CE1-CZ 3.51Å; F241-F284 HydrophobicContact CZ-CE1 4.46Å; F241-F284 AromaticContact CZ-CZ 3.93Å; F241-F284 HydrophobicContact CZ-CZ 3.93Å; F241-F289 HydrophobicContact CB-CE1 4.36Å; F241-F289 AromaticContact CD1-CE1 3.98Å; F241-F289 HydrophobicContact CD1-CE1 3.98Å; F241-F289 HydrophobicContact CD1-CZ 4.14Å; F241-F319 HydrophobicContact CB-CD1 4.35Å; F241-F319 HydrophobicContact CB-CE1 3.86Å; F241-F319 HydrophobicContact CB-CZ 4.41Å; F241-F319 AromaticContact CD1-CE1 3.95Å; F241-F319 HydrophobicContact CD1-CE1 3.95Å; F241-F319 HydrophobicContact CD1-CE2 4.41Å; F241-F319 AromaticContact CD1-CZ 3.64Å; F241-F319 HydrophobicContact CD1-CZ 3.64Å; F241-F319 AromaticContact CD2-CE1 3.53Å; F241-F319 HydrophobicContact CD2-CE1 3.53Å; F241-F319 AromaticContact CD2-CZ 3.84Å; F241-F319 HydrophobicContact CD2-CZ 3.84Å; F241-F319 HydrophobicContact CE1-CE1 4.37Å; F241-F319 HydrophobicContact CE1-CE2 4.5Å; F241-F319 AromaticContact CE1-CZ 3.72Å; F241-F319 HydrophobicContact CE1-CZ 3.72Å; F241-F319 AromaticContact CE2-CE1 3.99Å; F241-F319 HydrophobicContact CE2-CE1 3.99Å; F241-F319 AromaticContact CE2-CZ 3.91Å; F241-F319 HydrophobicContact CE2-CZ 3.91Å; F241-F319 HydrophobicContact CG-CD1 4.43Å; F241-F319 AromaticContact CG-CE1 3.5Å; F241-F319 HydrophobicContact CG-CE1 3.5Å; F241-F319 VanDerWaalsContact CG-CE1 3.5Å; F241-F319 AromaticContact CG-CZ 3.69Å; F241-F319 HydrophobicContact CG-CZ 3.69Å; F241-F319 HydrophobicContact CZ-CE1 4.38Å; F241-F319 AromaticContact CZ-CZ 3.84Å; F241-F319 HydrophobicContact CZ-CZ 3.84Å; F241-L333 HydrophobicContact CE2-CD1 4.09Å; F241-L333 HydrophobicContact CE2-CD2 3.95Å; F241-L333 HydrophobicContact CZ-CD1 4.27Å; F241-L333 HydrophobicContact CZ-CD2 3.7Å
242	Y	98.3	Very high	96.1	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-67.2	-27.6	179.4	-76.3	-86.5	0	0	0	112.5	E238 L245 N246 F289 F307 V312 T317 F319	E238-Y242 VanDerWaalsContact O-CD2 3.28Å; E238-Y242 WeakPolarHBondContact O-CD2 3.48Å; E238-Y242 PolarHBondContact O-N 3.3Å; Y242-L245 HydrophobicContact CD1-CD1 3.86Å; Y242-L245 HydrophobicContact CE1-CD1 4.22Å; Y242-L245 HydrophobicContact CG-CD1 4.39Å; Y242-L245 PolarHBondContact O-N 3.45Å; Y242-N246 WeakPolarHBondContact O-CB 3.47Å; Y242-N246 PolarHBondContact O-N 2.92Å; Y242-F289 HydrophobicContact CE1-CB 4.42Å; Y242-F289 PolarHBondContact OH-O 3.31Å; Y242-F307 HydrophobicContact CD1-CB 3.87Å; Y242-F307 AromaticContact CD1-CD1 3.57Å; Y242-F307 HydrophobicContact CD1-CD1 3.57Å; Y242-F307 AromaticContact CD1-CD2 3.7Å; Y242-F307 HydrophobicContact CD1-CD2 3.7Å; Y242-F307 AromaticContact CD1-CE1 3.93Å; Y242-F307 HydrophobicContact CD1-CE1 3.93Å; Y242-F307 HydrophobicContact CD1-CE2 4.04Å; Y242-F307 AromaticContact CD1-CG 3.44Å; Y242-F307 HydrophobicContact CD1-CG 3.44Å; Y242-F307 VanDerWaalsContact CD1-CG 3.44Å; Y242-F307 HydrophobicContact CD1-CZ 4.14Å; Y242-F307 AromaticContact CE1-CD1 3.56Å; Y242-F307 HydrophobicContact CE1-CD1 3.56Å; Y242-F307 HydrophobicContact CE1-CD2 4.33Å; Y242-F307 AromaticContact CE1-CE1 3.57Å; Y242-F307 HydrophobicContact CE1-CE1 3.57Å; Y242-F307 HydrophobicContact CE1-CE2 4.32Å; Y242-F307 AromaticContact CE1-CG 3.95Å; Y242-F307 HydrophobicContact CE1-CG 3.95Å; Y242-F307 AromaticContact CE1-CZ 3.96Å; Y242-F307 HydrophobicContact CE1-CZ 3.96Å; Y242-V312 HydrophobicContact CD1-CG2 3.96Å; Y242-V312 HydrophobicContact CD2-CB 4.34Å; Y242-V312 HydrophobicContact CD2-CG1 3.38Å; Y242-V312 HydrophobicContact CD2-CG2 3.97Å; Y242-V312 HydrophobicContact CE1-CG2 4.34Å; Y242-V312 HydrophobicContact CE2-CG1 3.86Å; Y242-V312 HydrophobicContact CE2-CG2 4.35Å; Y242-V312 HydrophobicContact CG-CB 4.49Å; Y242-V312 HydrophobicContact CG-CG1 3.92Å; Y242-V312 HydrophobicContact CG-CG2 3.76Å; Y242-T317 HydrophobicContact CE2-CG2 4.38Å; Y242-T317 WeakPolarHBondContact OH-CB 3.36Å; Y242-T317 PolarHBondContact OH-OG1 3.12Å; Y242-F319 HydrophobicContact CE2-CB 3.9Å; Y242-F319 HydrophobicContact CE2-CD1 4.47Å
243	A	98.3	Very high	96	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.3	-43.3	171	0	0	0	0	0	111.7	F44 I165 G239 V240 F241 L245 N246 I247 L309	F44-A243 HydrophobicContact CE2-CB 4.06Å; F44-A243 HydrophobicContact CZ-CB 4.27Å; I165-A243 HydrophobicContact CD1-CB 4.14Å; G239-A243 VanDerWaalsContact O-CB 3.27Å; G239-A243 WeakPolarHBondContact O-CB 3.48Å; G239-A243 PolarHBondContact O-N 3.13Å; V240-A243 PolarHBondContact O-N 3.19Å; F241-A243 VanDerWaalsContact C-N 3.26Å; F241-A243 PolarHBondContact O-N 2.93Å; A243-L245 VanDerWaalsContact C-N 3.35Å; A243-N246 PolarHBondContact O-N 2.82Å; A243-I247 WeakPolarHBondContact O-CG1 3.43Å; A243-I247 PolarHBondContact O-N 3.24Å; A243-L309 HydrophobicContact CB-CD1 3.88Å
244	A	97.4	Very high	95.9	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.017	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-42.6	173.2	0	0	0	0	0	111.7	L51 V240 F241 N246 I247 C248 L262 F266	L51-A244 HydrophobicContact CD2-CB 3.9Å; V240-A244 PolarHBondContact O-N 3.39Å; V240-A244 VanDerWaalsContact O-N 3.15Å; F241-A244 WeakPolarHBondContact O-CB 3.4Å; F241-A244 PolarHBondContact O-N 2.88Å; F241-A244 VanDerWaalsContact O-N 3.15Å; A244-N246 VanDerWaalsContact C-N 3.35Å; A244-N246 PolarHBondContact O-N 3.48Å; A244-I247 PolarHBondContact O-N 2.89Å; A244-C248 PolarHBondContact O-N 3.32Å; A244-C248 PolarHBondContact O-SG 2.9Å; A244-C248 VanDerWaalsContact O-SG 3.36Å; A244-L262 HydrophobicContact CB-CD2 4.05Å; A244-F266 HydrophobicContact CB-CE2 4.48Å
245	L	97.3	Very high	95.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59	-43.3	173.9	-70.4	176	0	0	0	112.5	F241 Y242 A243 C248 T249 V258 L262 F289 F304 F307	F241-L245 PolarHBondContact O-N 3.4Å; Y242-L245 HydrophobicContact CD1-CD1 3.86Å; Y242-L245 HydrophobicContact CE1-CD1 4.22Å; Y242-L245 HydrophobicContact CG-CD1 4.39Å; Y242-L245 PolarHBondContact O-N 3.45Å; A243-L245 VanDerWaalsContact C-N 3.35Å; L245-C248 PolarHBondContact O-N 3.29Å; L245-T249 VanDerWaalsContact O-CB 3.3Å; L245-T249 WeakPolarHBondContact O-CB 3.5Å; L245-T249 PolarHBondContact O-N 3.27Å; L245-T249 PolarHBondContact O-OG1 3.49Å; L245-V258 HydrophobicContact CD2-CG1 3.48Å; L245-V258 VanDerWaalsContact CD2-CG1 3.48Å; L245-L262 HydrophobicContact CD2-CD1 3.63Å; L245-L262 HydrophobicContact CG-CD1 4.29Å; L245-F289 HydrophobicContact CD1-CB 3.93Å; L245-F289 HydrophobicContact CD1-CD1 3.67Å; L245-F289 HydrophobicContact CD1-CD2 4.47Å; L245-F289 HydrophobicContact CD1-CE1 4.3Å; L245-F289 HydrophobicContact CD1-CG 3.77Å; L245-F304 HydrophobicContact CD2-CD2 3.73Å; L245-F304 HydrophobicContact CD2-CE2 3.88Å; L245-F304 HydrophobicContact CD2-CG 4.17Å; L245-F304 HydrophobicContact CD2-CZ 4.48Å; L245-F307 HydrophobicContact CB-CD2 4.11Å; L245-F307 HydrophobicContact CB-CE2 3.94Å; L245-F307 HydrophobicContact CD1-CD2 4.34Å; L245-F307 HydrophobicContact CD1-CE2 3.73Å; L245-F307 HydrophobicContact CD1-CZ 4.22Å; L245-F307 HydrophobicContact CG-CE2 4.43Å
246	N	97.8	Very high	95.6	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-63.2	-40	177.6	-82.3	-7.9	0	0	0	112	N186 Y242 A243 A244 T249 A250 W306 F307	N186-N246 PolarHBondContact OD1-ND2 2.86Å; N186-N246 VanDerWaalsContact OD1-ND2 3.15Å; Y242-N246 WeakPolarHBondContact O-CB 3.47Å; Y242-N246 PolarHBondContact O-N 2.92Å; A243-N246 PolarHBondContact O-N 2.82Å; A244-N246 VanDerWaalsContact C-N 3.35Å; A244-N246 PolarHBondContact O-N 3.48Å; N246-T249 PolarHBondContact O-N 2.94Å; N246-A250 WeakPolarHBondContact O-CB 3.47Å; N246-A250 PolarHBondContact O-N 3.36Å; N246-W306 HydrophobicContact CB-CE3 4.1Å; N246-W306 HydrophobicContact CB-CH2 3.94Å; N246-W306 HydrophobicContact CB-CZ2 4.49Å; N246-W306 HydrophobicContact CB-CZ3 3.73Å; N246-W306 WeakPolarHBondContact O-CZ3 3.45Å; N246-F307 PolarHBondContact ND2-O 2.64Å; N246-F307 PolarHBondContact OD1-N 2.96Å
247	I	95.7	Very high	95.5	Very high	18 Å²	18	21.6 Å²	21.6	9%	0.092	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-47.5	175.1	-69.8	165.1	0	0	0	110.7	L48 L51 L55 I165 A243 A244 T249 A250 R251	L48-I247 HydrophobicContact CD1-CD1 4.07Å; L48-I247 HydrophobicContact CD2-CD1 3.45Å; L48-I247 VanDerWaalsContact CD2-CD1 3.45Å; L48-I247 HydrophobicContact CG-CD1 4.3Å; L51-I247 HydrophobicContact CD2-CB 4.04Å; L51-I247 HydrophobicContact CD2-CD1 4.02Å; L51-I247 HydrophobicContact CD2-CG2 3.88Å; L55-I247 HydrophobicContact CD1-CG2 4.08Å; I165-I247 HydrophobicContact CD1-CD1 3.91Å; I165-I247 HydrophobicContact CD1-CG1 4.36Å; A243-I247 WeakPolarHBondContact O-CG1 3.43Å; A243-I247 PolarHBondContact O-N 3.24Å; A244-I247 PolarHBondContact O-N 2.89Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 3.44Å; I247-A250 WeakPolarHBondContact O-CB 3.4Å; I247-A250 PolarHBondContact O-N 2.88Å; I247-R251 PolarHBondContact O-N 2.91Å
248	C	95.4	Very high	95.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-39.3	177.1	-67	0	0	0	0	112.5	A244 L245 R251 N252 M253 V258	A244-C248 PolarHBondContact O-N 3.32Å; A244-C248 PolarHBondContact O-SG 2.9Å; A244-C248 VanDerWaalsContact O-SG 3.36Å; L245-C248 PolarHBondContact O-N 3.29Å; C248-R251 CarbonylContact O-C 3.55Å; C248-R251 PolarHBondContact O-N 3.46Å; C248-N252 PolarHBondContact O-N 2.92Å; C248-M253 HydrophobicContact CB-CB 4.44Å; C248-M253 HydrophobicContact CB-CE 4.44Å; C248-M253 WeakPolarHBondContact O-CB 3.25Å; C248-M253 PolarHBondContact O-N 2.85Å; C248-M253 VanDerWaalsContact O-N 3.09Å; C248-V258 HydrophobicContact CB-CG1 4.04Å; C248-V258 HydrophobicContact CB-CG2 3.67Å
249	T	95.4	Very high	95.3	Very high	21 Å²	21	22.4 Å²	22.4	13%	0.129	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-40.2	176.5	-61	0	0	0	0	111.4	L245 N246 I247 R251 N252 P303 F304	L245-T249 VanDerWaalsContact O-CB 3.3Å; L245-T249 WeakPolarHBondContact O-CB 3.5Å; L245-T249 PolarHBondContact O-N 3.27Å; L245-T249 PolarHBondContact O-OG1 3.49Å; N246-T249 PolarHBondContact O-N 2.94Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 3.44Å; T249-R251 PolarHBondContact O-N 3.2Å; T249-N252 WeakPolarHBondContact O-CA 3.36Å; T249-N252 PolarHBondContact O-N 3.44Å; T249-P303 HydrophobicContact CG2-CB 4.47Å; T249-F304 WeakPolarHBondContact CG2-O 3.31Å; T249-F304 PolarHBondContact OG1-O 2.82Å
250	A	94.4	Very high	95.1	Very high	54 Å²	54	28 Å²	28	45%	0.446	15%	0.153	S	C	.	.	H	α-helix	trans	-62.8	-29.8	175.6	0	0	0	0	0	112.7	T163 N246 I247 N252 W306	T163-A250 HydrophobicContact CG2-CB 3.56Å; N246-A250 WeakPolarHBondContact O-CB 3.47Å; N246-A250 PolarHBondContact O-N 3.36Å; I247-A250 WeakPolarHBondContact O-CB 3.4Å; I247-A250 PolarHBondContact O-N 2.88Å; A250-N252 PolarHBondContact O-N 3.06Å; A250-W306 HydrophobicContact CB-CZ3 4.45Å
251	R	91.9	Very high	94.9	Very high	59 Å²	59	28.1 Å²	28.1	22%	0.223	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	9.6	171.9	-64.9	-162.6	176.3	-165.7	-1.9	113.7	L55 N56 E75 I247 C248 T249 M253	L55-R251 VanDerWaalsContact CB-NH1 3.3Å; N56-R251 PolarHBondContact OD1-NH1 3.32Å; E75-R251 IonicContact OE2-CZ 3.58Å; E75-R251 IonicContact OE2-NH2 2.73Å; E75-R251 PolarHBondContact OE2-NH2 3.05Å; I247-R251 PolarHBondContact O-N 2.91Å; C248-R251 CarbonylContact O-C 3.55Å; C248-R251 PolarHBondContact O-N 3.46Å; T249-R251 PolarHBondContact O-N 3.2Å; R251-M253 PolarHBondContact O-N 2.85Å
252	N	92.6	Very high	94.7	Very high	121 Å²	121	28.2 Å²	28.2	65%	0.647	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	35.6	-179	-164	43.2	0	0	0	113.2	C248 T249 A250	C248-N252 PolarHBondContact O-N 2.92Å; T249-N252 WeakPolarHBondContact O-CA 3.36Å; T249-N252 PolarHBondContact O-N 3.44Å; A250-N252 PolarHBondContact O-N 3.06Å
253	M	93.1	Very high	94.5	Very high	22 Å²	22	29.7 Å²	29.7	11%	0.108	17%	0.165	C	C	.	.			trans	-79.2	132.7	-176.3	-160.6	167	91.5	0	0	111.2	L55 C248 R251 Q257 V258 L261 P303	L55-M253 HydrophobicContact CD2-CE 4.31Å; L55-M253 HydrophobicContact CD2-SD 3.61Å; C248-M253 HydrophobicContact CB-CB 4.44Å; C248-M253 HydrophobicContact CB-CE 4.44Å; C248-M253 WeakPolarHBondContact O-CB 3.25Å; C248-M253 PolarHBondContact O-N 2.85Å; C248-M253 VanDerWaalsContact O-N 3.09Å; R251-M253 PolarHBondContact O-N 2.85Å; M253-Q257 HydrophobicContact CE-CB 4Å; M253-Q257 HydrophobicContact CG-CB 4.01Å; M253-Q257 HydrophobicContact SD-CB 4.31Å; M253-V258 HydrophobicContact CB-CG2 4Å; M253-V258 VanDerWaalsContact CE-CA 3.41Å; M253-V258 HydrophobicContact CE-CB 4.02Å; M253-V258 HydrophobicContact CE-CG2 3.5Å; M253-V258 VanDerWaalsContact CE-CG2 3.5Å; M253-V258 HydrophobicContact CG-CG2 4.18Å; M253-L261 HydrophobicContact CE-CB 4.07Å; M253-L261 HydrophobicContact CE-CD2 3.57Å; M253-L261 HydrophobicContact CE-CG 4.5Å; M253-L261 HydrophobicContact SD-CD2 4.42Å; M253-P303 VanDerWaalsContact O-CA 3.24Å; M253-P303 WeakPolarHBondContact O-CA 3.44Å; M253-P303 WeakPolarHBondContact O-CB 3.43Å
254	A	93.6	Very high	94.2	Very high	14 Å²	14	34.1 Å²	34.1	12%	0.116	19%	0.186	C	C	.	.			trans	-58.6	136.3	178.3	0	0	0	0	0	111.3	S256 Q257 V258	A254-S256 PolarHBondContact O-N 3.39Å; A254-S256 VanDerWaalsContact O-N 3.1Å; A254-Q257 HydrophobicContact CB-CG 4.46Å; A254-Q257 WeakPolarHBondContact O-CB 3.17Å; A254-Q257 PolarHBondContact O-N 3.35Å; A254-V258 WeakPolarHBondContact O-CG2 3.39Å; A254-V258 PolarHBondContact O-N 3.41Å; A254-V258 VanDerWaalsContact O-N 3.07Å
255	H	93.1	Very high	93.9	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.032	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-29.4	-172.4	67.2	-101.8	0	0	0	113.9	V258 L259 I286 L298 S299 Q300 R302 F304	H255-V258 WeakPolarHBondContact O-CB 3.23Å; H255-V258 PolarHBondContact O-N 3.39Å; H255-L259 WeakPolarHBondContact O-CG 3.37Å; H255-L259 PolarHBondContact O-N 3.18Å; H255-I286 WeakPolarHBondContact CD2-CD1 3.48Å; H255-I286 WeakPolarHBondContact NE2-CD1 3.32Å; H255-L298 HydrophobicContact CB-CD2 4.12Å; H255-L298 WeakPolarHBondContact ND1-CD2 3.49Å; H255-S299 VanDerWaalsContact CE1-C 3.46Å; H255-S299 PolarHBondContact CE1-O 3.39Å; H255-S299 PolarHBondContact ND1-O 2.92Å; H255-Q300 WeakPolarHBondContact CE1-CA 3.28Å; H255-R302 PolarHBondContact N-O 3.1Å; H255-R302 PolarHBondContact ND1-O 3.01Å; H255-F304 HydrophobicContact CB-CD2 3.67Å; H255-F304 HydrophobicContact CB-CE2 3.53Å; H255-F304 HydrophobicContact CB-CG 4.28Å; H255-F304 HydrophobicContact CB-CZ 4.01Å
256	S	91.4	Very high	93.7	Very high	56 Å²	56	34.8 Å²	34.8	39%	0.392	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-44	175.6	54	0	0	0	0	111.7	A254 V258 L259 Q260	A254-S256 PolarHBondContact O-N 3.39Å; A254-S256 VanDerWaalsContact O-N 3.1Å; S256-V258 VanDerWaalsContact C-N 3.31Å; S256-L259 PolarHBondContact O-N 2.89Å; S256-Q260 PolarHBondContact O-N 2.84Å
257	Q	92.9	Very high	93.4	Very high	69 Å²	69	35.3 Å²	35.3	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-66.3	-36.1	174.1	-63.3	174.4	-3.3	0	0	110.8	M253 A254 Q260 L261	M253-Q257 HydrophobicContact CE-CB 4Å; M253-Q257 HydrophobicContact CG-CB 4.01Å; M253-Q257 HydrophobicContact SD-CB 4.31Å; A254-Q257 HydrophobicContact CB-CG 4.46Å; A254-Q257 WeakPolarHBondContact O-CB 3.17Å; A254-Q257 PolarHBondContact O-N 3.35Å; Q257-Q260 PolarHBondContact O-N 3.27Å; Q257-L261 WeakPolarHBondContact O-CB 3.23Å; Q257-L261 PolarHBondContact O-N 3.06Å
258	V	94.8	Very high	92.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-43.4	177.6	-180	0	0	0	0	111	L245 C248 M253 A254 H255 S256 Q260 L261 L262 F304	L245-V258 HydrophobicContact CD2-CG1 3.48Å; L245-V258 VanDerWaalsContact CD2-CG1 3.48Å; C248-V258 HydrophobicContact CB-CG1 4.04Å; C248-V258 HydrophobicContact CB-CG2 3.67Å; M253-V258 HydrophobicContact CB-CG2 4Å; M253-V258 VanDerWaalsContact CE-CA 3.41Å; M253-V258 HydrophobicContact CE-CB 4.02Å; M253-V258 HydrophobicContact CE-CG2 3.5Å; M253-V258 VanDerWaalsContact CE-CG2 3.5Å; M253-V258 HydrophobicContact CG-CG2 4.18Å; A254-V258 WeakPolarHBondContact O-CG2 3.39Å; A254-V258 PolarHBondContact O-N 3.41Å; A254-V258 VanDerWaalsContact O-N 3.07Å; H255-V258 WeakPolarHBondContact O-CB 3.23Å; H255-V258 PolarHBondContact O-N 3.39Å; S256-V258 VanDerWaalsContact C-N 3.31Å; V258-Q260 VanDerWaalsContact C-N 3.34Å; V258-Q260 PolarHBondContact O-N 3.36Å; V258-L261 PolarHBondContact O-N 3.33Å; V258-L262 HydrophobicContact CG1-CD1 4.24Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CB 3.09Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.44Å; V258-L262 PolarHBondContact O-N 3.14Å; V258-F304 HydrophobicContact CB-CD2 4.01Å; V258-F304 HydrophobicContact CB-CE2 3.91Å; V258-F304 HydrophobicContact CG1-CD2 3.87Å; V258-F304 HydrophobicContact CG1-CE2 3.85Å; V258-F304 HydrophobicContact CG2-CD2 4.31Å
259	L	94.8	Very high	92.2	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-38.3	178.1	-69.6	173.9	0	0	0	112.5	H255 S256 S263 F284 I286 F289 F304	H255-L259 WeakPolarHBondContact O-CG 3.37Å; H255-L259 PolarHBondContact O-N 3.18Å; S256-L259 PolarHBondContact O-N 2.89Å; L259-S263 WeakPolarHBondContact O-CB 3.46Å; L259-S263 PolarHBondContact O-N 2.63Å; L259-S263 PolarHBondContact O-OG 3.45Å; L259-F284 HydrophobicContact CD2-CB 3.84Å; L259-I286 HydrophobicContact CD1-CG1 3.66Å; L259-F289 HydrophobicContact CD2-CD2 4.06Å; L259-F289 HydrophobicContact CD2-CE2 3.77Å; L259-F304 HydrophobicContact CD2-CE2 4.35Å; L259-F304 HydrophobicContact CD2-CZ 3.98Å; L259-F304 HydrophobicContact CG-CE2 4.3Å; L259-F304 HydrophobicContact CG-CZ 4.18Å
260	Q	92.6	Very high	91.5	Very high	118 Å²	118	43.4 Å²	43.4	55%	0.551	24%	0.238	S	C	*	.	H	α-helix	trans	-62.4	-50.4	173	-178.5	-180	-12.2	0	0	110.6	S256 Q257 V258 L262 S263 E264	S256-Q260 PolarHBondContact O-N 2.84Å; Q257-Q260 PolarHBondContact O-N 3.27Å; V258-Q260 VanDerWaalsContact C-N 3.34Å; V258-Q260 PolarHBondContact O-N 3.36Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 2.82Å; Q260-S263 WeakPolarHBondContact O-CA 3.38Å; Q260-S263 WeakPolarHBondContact O-CB 3.41Å; Q260-S263 PolarHBondContact O-N 3.25Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.31Å; Q260-E264 PolarHBondContact NE2-OE1 2.99Å; Q260-E264 WeakPolarHBondContact O-CG 3.26Å; Q260-E264 PolarHBondContact O-N 2.76Å
261	L	93.9	Very high	90.3	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-39.4	179.6	-179.4	58.8	0	0	0	112.5	L51 L55 M253 Q257 V258 S263 E264 L265	L51-L261 HydrophobicContact CD1-CD1 4.38Å; L51-L261 HydrophobicContact CD1-CD2 3.45Å; L51-L261 VanDerWaalsContact CD1-CD2 3.45Å; L51-L261 HydrophobicContact CD1-CG 3.8Å; L55-L261 HydrophobicContact CD2-CD2 3.7Å; L55-L261 HydrophobicContact CG-CD2 4.07Å; M253-L261 HydrophobicContact CE-CB 4.07Å; M253-L261 HydrophobicContact CE-CD2 3.57Å; M253-L261 HydrophobicContact CE-CG 4.5Å; M253-L261 HydrophobicContact SD-CD2 4.42Å; Q257-L261 WeakPolarHBondContact O-CB 3.23Å; Q257-L261 PolarHBondContact O-N 3.06Å; V258-L261 PolarHBondContact O-N 3.33Å; L261-S263 VanDerWaalsContact C-N 3.32Å; L261-E264 PolarHBondContact O-N 3.07Å; L261-L265 VanDerWaalsContact O-CB 3.23Å; L261-L265 WeakPolarHBondContact O-CB 3.2Å; L261-L265 PolarHBondContact O-N 3.2Å
262	L	94.8	Very high	89	Confident	1 Å²	1	46 Å²	46	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-38	173.6	-72.9	-178.5	0	0	0	111.8	A244 L245 V258 Q260 L265 F266 F284 F289	A244-L262 HydrophobicContact CB-CD2 4.05Å; L245-L262 HydrophobicContact CD2-CD1 3.63Å; L245-L262 HydrophobicContact CG-CD1 4.29Å; V258-L262 HydrophobicContact CG1-CD1 4.24Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CB 3.09Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.44Å; V258-L262 PolarHBondContact O-N 3.14Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 2.82Å; L262-L265 PolarHBondContact O-N 3Å; L262-F266 HydrophobicContact CB-CD2 4.45Å; L262-F266 HydrophobicContact CD2-CD2 3.9Å; L262-F266 HydrophobicContact CD2-CE2 3.62Å; L262-F266 WeakPolarHBondContact O-CB 3.48Å; L262-F266 WeakPolarHBondContact O-CD2 3.33Å; L262-F266 PolarHBondContact O-N 3.13Å; L262-F284 HydrophobicContact CB-CD2 3.89Å; L262-F284 HydrophobicContact CB-CE2 4.28Å; L262-F289 HydrophobicContact CD1-CE2 3.88Å; L262-F289 HydrophobicContact CD1-CZ 3.77Å
263	S	93.1	Very high	87.6	Confident	35 Å²	35	43.9 Å²	43.9	25%	0.245	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-44.6	176.5	-55.7	0	0	0	0	110.6	L259 Q260 L261 L265 L267	L259-S263 WeakPolarHBondContact O-CB 3.46Å; L259-S263 PolarHBondContact O-N 2.63Å; L259-S263 PolarHBondContact O-OG 3.45Å; Q260-S263 WeakPolarHBondContact O-CA 3.38Å; Q260-S263 WeakPolarHBondContact O-CB 3.41Å; Q260-S263 PolarHBondContact O-N 3.25Å; L261-S263 VanDerWaalsContact C-N 3.32Å; S263-L265 PolarHBondContact O-N 3.16Å; S263-L267 WeakPolarHBondContact O-CA 3.07Å; S263-L267 WeakPolarHBondContact O-CB 3.28Å; S263-L267 PolarHBondContact O-N 2.97Å
264	E	91.4	Very high	86.4	Confident	93 Å²	93	42.9 Å²	42.9	44%	0.435	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-42.1	175.1	-69.2	167	-170.9	0	0	111.9	Q260 L261 S268	Q260-E264 WeakPolarHBondContact CG-OE1 3.31Å; Q260-E264 PolarHBondContact NE2-OE1 2.99Å; Q260-E264 WeakPolarHBondContact O-CG 3.26Å; Q260-E264 PolarHBondContact O-N 2.76Å; L261-E264 PolarHBondContact O-N 3.07Å; E264-S268 WeakPolarHBondContact O-CB 3.42Å; E264-S268 PolarHBondContact O-OG 3.15Å; E264-S268 VanDerWaalsContact O-OG 3.12Å
265	L	92.9	Very high	84.9	Confident	14 Å²	14	44.8 Å²	44.8	7%	0.073	25%	0.248	C	C	.	.	H	α-helix	trans	-73.3	-42.3	-177.1	-175.5	62.3	0	0	0	113	L47 N50 L51 L261 L262 S263	L47-L265 HydrophobicContact CD2-CD1 3.99Å; L47-L265 HydrophobicContact CD2-CD2 4.5Å; L47-L265 HydrophobicContact CD2-CG 4Å; N50-L265 HydrophobicContact CB-CD1 3.66Å; L51-L265 HydrophobicContact CB-CD2 4Å; L51-L265 HydrophobicContact CD1-CD2 4.08Å; L261-L265 VanDerWaalsContact O-CB 3.23Å; L261-L265 WeakPolarHBondContact O-CB 3.2Å; L261-L265 PolarHBondContact O-N 3.2Å; L262-L265 PolarHBondContact O-N 3Å; S263-L265 PolarHBondContact O-N 3.16Å
266	F	92.9	Very high	83.5	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-103.1	-17.3	-170.6	-70.9	-82.8	0	0	0	114.7	L47 V240 F241 A244 L262 F284 L333 L336	L47-F266 HydrophobicContact CD1-CE1 3.57Å; L47-F266 HydrophobicContact CD1-CZ 3.98Å; L47-F266 HydrophobicContact CD2-CD1 4.44Å; L47-F266 HydrophobicContact CD2-CE1 4.11Å; L47-F266 HydrophobicContact CD2-CZ 4.49Å; L47-F266 HydrophobicContact CG-CE1 4.48Å; V240-F266 HydrophobicContact CG1-CE1 4.28Å; V240-F266 HydrophobicContact CG1-CZ 4.22Å; F241-F266 HydrophobicContact CD1-CD2 4.09Å; F241-F266 AromaticContact CD1-CE2 3.96Å; F241-F266 HydrophobicContact CD1-CE2 3.96Å; F241-F266 HydrophobicContact CD1-CG 4.44Å; F241-F266 HydrophobicContact CD1-CZ 4.19Å; F241-F266 HydrophobicContact CD2-CD1 4.41Å; F241-F266 AromaticContact CD2-CE1 3.98Å; F241-F266 HydrophobicContact CD2-CE1 3.98Å; F241-F266 HydrophobicContact CD2-CZ 4.15Å; F241-F266 HydrophobicContact CE1-CB 4.03Å; F241-F266 AromaticContact CE1-CD1 3.87Å; F241-F266 HydrophobicContact CE1-CD1 3.87Å; F241-F266 AromaticContact CE1-CD2 3.51Å; F241-F266 HydrophobicContact CE1-CD2 3.51Å; F241-F266 HydrophobicContact CE1-CE1 4.16Å; F241-F266 AromaticContact CE1-CE2 3.85Å; F241-F266 HydrophobicContact CE1-CE2 3.85Å; F241-F266 AromaticContact CE1-CG 3.53Å; F241-F266 HydrophobicContact CE1-CG 3.53Å; F241-F266 HydrophobicContact CE1-CZ 4.15Å; F241-F266 AromaticContact CE2-CD1 3.59Å; F241-F266 HydrophobicContact CE2-CD1 3.59Å; F241-F266 AromaticContact CE2-CE1 3.57Å; F241-F266 HydrophobicContact CE2-CE1 3.57Å; F241-F266 HydrophobicContact CE2-CG 4.14Å; F241-F266 HydrophobicContact CE2-CZ 4.12Å; F241-F266 HydrophobicContact CG-CE1 4.46Å; F241-F266 HydrophobicContact CG-CE2 4.41Å; F241-F266 HydrophobicContact CG-CZ 4.2Å; F241-F266 HydrophobicContact CZ-CB 3.8Å; F241-F266 AromaticContact CZ-CD1 3.27Å; F241-F266 HydrophobicContact CZ-CD1 3.27Å; F241-F266 AromaticContact CZ-CD2 3.84Å; F241-F266 HydrophobicContact CZ-CD2 3.84Å; F241-F266 AromaticContact CZ-CE1 3.67Å; F241-F266 HydrophobicContact CZ-CE1 3.67Å; F241-F266 HydrophobicContact CZ-CE2 4.2Å; F241-F266 AromaticContact CZ-CG 3.35Å; F241-F266 HydrophobicContact CZ-CG 3.35Å; F241-F266 HydrophobicContact CZ-CZ 4.12Å; A244-F266 HydrophobicContact CB-CE2 4.48Å; L262-F266 HydrophobicContact CB-CD2 4.45Å; L262-F266 HydrophobicContact CD2-CD2 3.9Å; L262-F266 HydrophobicContact CD2-CE2 3.62Å; L262-F266 WeakPolarHBondContact O-CB 3.48Å; L262-F266 WeakPolarHBondContact O-CD2 3.33Å; L262-F266 PolarHBondContact O-N 3.13Å; F266-F284 HydrophobicContact CB-CE2 4.04Å; F266-F284 HydrophobicContact CB-CZ 4.2Å; F266-L333 HydrophobicContact CB-CD2 4.1Å; F266-L333 HydrophobicContact CD1-CD2 3.93Å; F266-L333 HydrophobicContact CG-CD2 4.46Å; F266-L336 HydrophobicContact CB-CD2 4.35Å; F266-L336 HydrophobicContact CD1-CD2 3.92Å; F266-L336 HydrophobicContact CG-CD2 4.5Å
267	L	90.3	Very high	82.2	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-121.1	11.5	-174.9	-49.8	176.3	0	0	0	113	S263 V269 H270 P282 F284 L329 H332	S263-L267 WeakPolarHBondContact O-CA 3.07Å; S263-L267 WeakPolarHBondContact O-CB 3.28Å; S263-L267 PolarHBondContact O-N 2.97Å; L267-V269 PolarHBondContact O-N 3.26Å; L267-H270 PolarHBondContact O-NE2 2.96Å; L267-P282 HydrophobicContact CD1-CB 4.44Å; L267-P282 HydrophobicContact CD1-CG 4.04Å; L267-P282 WeakPolarHBondContact CD1-O 3.28Å; L267-P282 HydrophobicContact CD2-CG 3.71Å; L267-P282 HydrophobicContact CG-CG 4.49Å; L267-F284 HydrophobicContact CD1-CD2 4.09Å; L267-F284 HydrophobicContact CD1-CE2 3.67Å; L267-F284 HydrophobicContact CD1-CZ 4.09Å; L267-F284 HydrophobicContact CD2-CE2 4.23Å; L267-F284 HydrophobicContact CD2-CZ 4.04Å; L267-F284 HydrophobicContact CG-CE2 3.73Å; L267-F284 HydrophobicContact CG-CZ 4.06Å; L267-L329 HydrophobicContact CD2-CD1 3.72Å; L267-H332 HydrophobicContact CD2-CB 4Å
268	S	84.6	Confident	80.9	Confident	73 Å²	73	56 Å²	56	51%	0.51	30%	0.302	S	S	.	.	S	Bend	trans	-64.6	-23.5	177.8	42.7	0	0	0	0	114.2	E264	E264-S268 WeakPolarHBondContact O-CB 3.42Å; E264-S268 PolarHBondContact O-OG 3.15Å; E264-S268 VanDerWaalsContact O-OG 3.12Å
269	V	81.9	Confident	79.6	Confident	40 Å²	40	59.8 Å²	59.8	24%	0.242	33%	0.333	C	S	.	.	S	Bend	trans	-99.1	119	178.1	-176	0	0	0	0	108.8	L267 H332 H335 L336 A339	L267-V269 PolarHBondContact O-N 3.26Å; V269-H332 PolarHBondContact O-CE1 2.95Å; V269-H332 PolarHBondContact O-ND1 3.33Å; V269-H335 HydrophobicContact CG1-CB 3.92Å; V269-L336 HydrophobicContact CG2-CD1 3.95Å; V269-A339 HydrophobicContact CG1-CB 4.14Å; V269-A339 HydrophobicContact CG2-CB 3.88Å
270	H	79.5	Confident	78.6	Confident	97 Å²	97	61.4 Å²	61.4	45%	0.449	35%	0.347	S	S	.	.			trans	-105.9	140.6	178.2	-63.1	-90.9	0	0	0	110.5	L267 C281 H332	L267-H270 PolarHBondContact O-NE2 2.96Å; H270-C281 PolarHBondContact ND1-SG 3.3Å; H270-H332 AromaticContact ND1-CE1 3.51Å
271	F	70.6	Confident	78	Confident	32 Å²	32	56.6 Å²	56.6	14%	0.14	33%	0.326	C	S	.	.			trans	-86.9	160.5	167.8	65.9	-80.7	0	0	0	110.5	D273 C274 G275 V328 D331 H332	F271-D273 HydrophobicContact CD2-CB 4.08Å; F271-D273 HydrophobicContact CE2-CB 3.76Å; F271-D273 PolarHBondContact O-N 3.01Å; F271-C274 HydrophobicContact CD1-CB 3.88Å; F271-C274 HydrophobicContact CE1-CB 3.64Å; F271-C274 HydrophobicContact CE2-CB 4.46Å; F271-C274 HydrophobicContact CG-CB 4.38Å; F271-C274 HydrophobicContact CZ-CB 3.95Å; F271-C274 PolarHBondContact O-N 3.33Å; F271-G275 PolarHBondContact O-N 3.43Å; F271-G275 VanDerWaalsContact O-N 3.07Å; F271-V328 HydrophobicContact CE1-CG1 4.06Å; F271-V328 HydrophobicContact CZ-CG1 4.11Å; F271-D331 HydrophobicContact CD1-CB 4.48Å; F271-D331 HydrophobicContact CE1-CB 4.36Å; F271-H332 AromaticContact CE1-CD2 3.82Å; F271-H332 AromaticContact CE1-NE2 3.77Å
272	E	64.8	Low	77.7	Confident	135 Å²	135	57.3 Å²	57.3	63%	0.631	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.5	-167.4	-69.2	-172.1	161	0	0	115.2
273	D	62.9	Low	77.5	Confident	77 Å²	77	64.2 Å²	64.2	41%	0.412	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-33.6	-180	-55.5	-31.3	0	0	0	111.9	F271 K347	F271-D273 HydrophobicContact CD2-CB 4.08Å; F271-D273 HydrophobicContact CE2-CB 3.76Å; F271-D273 PolarHBondContact O-N 3.01Å; D273-K347 VanDerWaalsContact CG-NZ 3.31Å; D273-K347 IonicContact OD1-NZ 3.24Å; D273-K347 PolarHBondContact OD1-NZ 3.25Å; D273-K347 IonicContact OD2-NZ 3.53Å; D273-K347 PolarHBondContact OD2-NZ 3.29Å
274	C	68.1	Low	77.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-71.3	-35.7	175.6	-145.7	0	0	0	0	111.9	F271 K276 D277 C281 H332	F271-C274 HydrophobicContact CD1-CB 3.88Å; F271-C274 HydrophobicContact CE1-CB 3.64Å; F271-C274 HydrophobicContact CE2-CB 4.46Å; F271-C274 HydrophobicContact CG-CB 4.38Å; F271-C274 HydrophobicContact CZ-CB 3.95Å; F271-C274 PolarHBondContact O-N 3.33Å; C274-K276 PolarHBondContact O-N 3.3Å; C274-K276 VanDerWaalsContact O-N 3.14Å; C274-D277 CarbonylContact O-C 3.55Å; C274-D277 PolarHBondContact O-N 3.13Å; C274-C281 WeakPolarHBondContact CB-SG 3.38Å; C274-C281 PolarHBondContact O-SG 3.47Å; C274-C281 WeakPolarHBondContact SG-CA 3.36Å; C274-C281 WeakPolarHBondContact SG-CB 3.27Å; C274-C281 CovalentContact SG-SG 2.06Å; C274-C281 PolarHBondContact SG-SG 2.58Å; C274-H332 PolarHBondContact SG-NE2 3.18Å
275	G	60.9	Low	77.6	Confident	54 Å²	54	64.3 Å²	64.3	56%	0.557	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-63.2	-18.7	-179.7	0	0	0	0	0	114.1	F271	F271-G275 PolarHBondContact O-N 3.43Å; F271-G275 VanDerWaalsContact O-N 3.07Å
276	K	63.7	Low	77.6	Confident	169 Å²	169	65.3 Å²	65.3	74%	0.735	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-89.3	-26	178.5	-65.8	173.9	-172.7	167.9	0	113.2	C274	C274-K276 PolarHBondContact O-N 3.3Å; C274-K276 VanDerWaalsContact O-N 3.14Å
277	D	65.1	Low	77.7	Confident	85 Å²	85	67.7 Å²	67.7	46%	0.455	38%	0.377	S	S	.	.			trans	-134.9	96.3	178.5	-177.7	10.1	0	0	0	111.3	C274 A279 S280	C274-D277 CarbonylContact O-C 3.55Å; C274-D277 PolarHBondContact O-N 3.13Å; D277-A279 PolarHBondContact O-N 2.79Å; D277-A279 VanDerWaalsContact O-N 3.12Å; D277-A279 VanDerWaalsContact OD1-CB 3.28Å; D277-A279 WeakPolarHBondContact OD1-CB 3.42Å; D277-A279 PolarHBondContact OD1-N 3.01Å; D277-S280 WeakPolarHBondContact O-CB 3.13Å; D277-S280 PolarHBondContact O-N 3.19Å; D277-S280 PolarHBondContact O-OG 3.16Å
278	T	64.7	Low	77.9	Confident	113 Å²	113	68 Å²	68	69%	0.693	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.2	178.2	54.7	0	0	0	0	113.9	S280	T278-S280 VanDerWaalsContact C-N 3.31Å
279	A	68.3	Low	78.5	Confident	80 Å²	80	64.7 Å²	64.7	66%	0.661	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-24	174.6	0	0	0	0	0	112.5	D277	D277-A279 PolarHBondContact O-N 2.79Å; D277-A279 VanDerWaalsContact O-N 3.12Å; D277-A279 VanDerWaalsContact OD1-CB 3.28Å; D277-A279 WeakPolarHBondContact OD1-CB 3.42Å; D277-A279 PolarHBondContact OD1-N 3.01Å
280	S	73.2	Confident	79.1	Confident	56 Å²	56	63.2 Å²	63.2	39%	0.392	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.4	179.1	74.6	0	0	0	0	113.6	D277 T278	D277-S280 WeakPolarHBondContact O-CB 3.13Å; D277-S280 PolarHBondContact O-N 3.19Å; D277-S280 PolarHBondContact O-OG 3.16Å; T278-S280 VanDerWaalsContact C-N 3.31Å
281	C	81.4	Confident	79.7	Confident	17 Å²	17	61.7 Å²	61.7	12%	0.115	35%	0.346	C	S	.	.	S	Bend	trans	-73	138.5	-177.7	-61.8	0	0	0	0	111.3	H270 C274	H270-C281 PolarHBondContact ND1-SG 3.3Å; C274-C281 WeakPolarHBondContact CB-SG 3.38Å; C274-C281 PolarHBondContact O-SG 3.47Å; C274-C281 WeakPolarHBondContact SG-CA 3.36Å; C274-C281 WeakPolarHBondContact SG-CB 3.27Å; C274-C281 CovalentContact SG-SG 2.06Å; C274-C281 PolarHBondContact SG-SG 2.58Å
282	P	86.6	Confident	80.7	Confident	20 Å²	20	67.9 Å²	67.9	13%	0.13	37%	0.373	C	S	.	.			trans	-62.4	153.7	-175.5	26.3	-32.9	0	0	0	110.5	L267 L329 H332	L267-P282 HydrophobicContact CD1-CB 4.44Å; L267-P282 HydrophobicContact CD1-CG 4.04Å; L267-P282 WeakPolarHBondContact CD1-O 3.28Å; L267-P282 HydrophobicContact CD2-CG 3.71Å; L267-P282 HydrophobicContact CG-CG 4.49Å; P282-L329 HydrophobicContact CB-CB 4.45Å; P282-L329 HydrophobicContact CB-CD1 4.37Å; P282-L329 HydrophobicContact CG-CD1 4.14Å; P282-H332 VanDerWaalsContact CD-CD2 3.42Å; P282-H332 WeakPolarHBondContact CD-CD2 3.42Å; P282-H332 WeakPolarHBondContact CD-NE2 3.28Å
283	K	89.8	Confident	81.9	Confident	146 Å²	146	64.6 Å²	64.6	64%	0.635	37%	0.369	S	S	*	.			trans	-134.2	134.7	175.4	-65.4	-178.7	-176.4	176.2	0	108.4
284	F	94.3	Very high	83.3	Confident	12 Å²	12	65.6 Å²	65.6	5%	0.053	37%	0.368	C	S	.	.			trans	-80.5	132	175.6	-62.9	-56.2	0	0	0	111.2	F241 L259 L262 F266 L267 F289 F319 L329	F241-F284 AromaticContact CE1-CE1 3.94Å; F241-F284 HydrophobicContact CE1-CE1 3.94Å; F241-F284 HydrophobicContact CE1-CE2 4.07Å; F241-F284 AromaticContact CE1-CZ 3.51Å; F241-F284 HydrophobicContact CE1-CZ 3.51Å; F241-F284 HydrophobicContact CZ-CE1 4.46Å; F241-F284 AromaticContact CZ-CZ 3.93Å; F241-F284 HydrophobicContact CZ-CZ 3.93Å; L259-F284 HydrophobicContact CD2-CB 3.84Å; L262-F284 HydrophobicContact CB-CD2 3.89Å; L262-F284 HydrophobicContact CB-CE2 4.28Å; F266-F284 HydrophobicContact CB-CE2 4.04Å; F266-F284 HydrophobicContact CB-CZ 4.2Å; L267-F284 HydrophobicContact CD1-CD2 4.09Å; L267-F284 HydrophobicContact CD1-CE2 3.67Å; L267-F284 HydrophobicContact CD1-CZ 4.09Å; L267-F284 HydrophobicContact CD2-CE2 4.23Å; L267-F284 HydrophobicContact CD2-CZ 4.04Å; L267-F284 HydrophobicContact CG-CE2 3.73Å; L267-F284 HydrophobicContact CG-CZ 4.06Å; F284-F289 HydrophobicContact CB-CE2 4.04Å; F284-F289 HydrophobicContact CB-CZ 4.43Å; F284-F289 HydrophobicContact CD1-CE2 4.31Å; F284-F289 AromaticContact CD1-CZ 3.93Å; F284-F289 HydrophobicContact CD1-CZ 3.93Å; F284-F289 HydrophobicContact CE1-CZ 4.49Å; F284-F289 HydrophobicContact CG-CE2 4.31Å; F284-F289 HydrophobicContact CG-CZ 4.2Å; F284-F319 HydrophobicContact CD1-CE2 4.37Å; F284-F319 HydrophobicContact CE1-CE2 4.01Å; F284-F319 HydrophobicContact CE1-CZ 4.33Å; F284-L329 HydrophobicContact CE1-CD1 4.08Å; F284-L329 HydrophobicContact CE1-CD2 4.21Å; F284-L329 HydrophobicContact CZ-CD1 4.04Å
285	Q	93.4	Very high	84.3	Confident	117 Å²	117	66.1 Å²	66.1	55%	0.547	37%	0.373	S	S	.	.			trans	-115.9	159.1	174.5	-57.3	-172.5	4.3	0	0	110	T287 D288	Q285-T287 PolarHBondContact O-N 3.5Å; Q285-D288 PolarHBondContact N-OD2 3.17Å; Q285-D288 WeakPolarHBondContact O-CB 3.46Å; Q285-D288 PolarHBondContact O-N 2.94Å
286	I	93.6	Very high	85.6	Confident	35 Å²	35	72.3 Å²	72.3	18%	0.179	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-54.7	-43.3	176.9	-60.4	170.6	0	0	0	110.5	H255 L259 D288 F289 V290 L298 F304	H255-I286 WeakPolarHBondContact CD2-CD1 3.48Å; H255-I286 WeakPolarHBondContact NE2-CD1 3.32Å; L259-I286 HydrophobicContact CD1-CG1 3.66Å; I286-D288 PolarHBondContact O-N 2.83Å; I286-D288 VanDerWaalsContact O-N 3.13Å; I286-F289 PolarHBondContact O-N 3.41Å; I286-V290 HydrophobicContact CG2-CG2 3.42Å; I286-V290 VanDerWaalsContact CG2-CG2 3.42Å; I286-V290 VanDerWaalsContact O-CG2 3.27Å; I286-V290 WeakPolarHBondContact O-CG2 3.32Å; I286-V290 PolarHBondContact O-N 2.82Å; I286-V290 VanDerWaalsContact O-N 3.13Å; I286-L298 HydrophobicContact CG2-CD2 4.41Å; I286-F304 HydrophobicContact CG2-CE1 4.26Å
287	T	94.1	Very high	86.8	Confident	52 Å²	52	71 Å²	71	32%	0.319	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-68.5	-9.5	-176.9	49.5	0	0	0	0	114.5	Q285 F289 V290 K292 P318	Q285-T287 PolarHBondContact O-N 3.5Å; T287-F289 VanDerWaalsContact C-N 3.28Å; T287-V290 CarbonylContact C-O 3.57Å; T287-V290 WeakPolarHBondContact CA-O 3.49Å; T287-K292 HydrophobicContact CG2-CG 4.23Å; T287-P318 WeakPolarHBondContact O-CB 3.49Å
288	D	95	Very high	87.8	Confident	18 Å²	18	67.9 Å²	67.9	10%	0.096	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-75.9	-21.5	172.9	-57	-29	0	0	0	111.3	Q285 I286 P318 F319 H322	Q285-D288 PolarHBondContact N-OD2 3.17Å; Q285-D288 WeakPolarHBondContact O-CB 3.46Å; Q285-D288 PolarHBondContact O-N 2.94Å; I286-D288 PolarHBondContact O-N 2.83Å; I286-D288 VanDerWaalsContact O-N 3.13Å; D288-P318 CarbonylContact O-C 3.56Å; D288-P318 VanDerWaalsContact O-C 3.28Å; D288-F319 HydrophobicContact CB-CD2 4.32Å; D288-F319 WeakPolarHBondContact O-CA 3.35Å; D288-F319 WeakPolarHBondContact O-CB 3.25Å; D288-F319 PolarHBondContact O-N 2.92Å; D288-H322 IonicContact OD1-CE1 2.89Å; D288-H322 IonicContact OD1-CG 3.43Å; D288-H322 IonicContact OD1-ND1 3.36Å
289	F	95.9	Very high	88.9	Confident	3 Å²	3	65.5 Å²	65.5	1%	0.013	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-20.4	-177.2	-55.8	-72.1	0	0	0	114	F241 Y242 L245 L259 L262 F284 I286 T287 F304 F319	F241-F289 HydrophobicContact CB-CE1 4.36Å; F241-F289 AromaticContact CD1-CE1 3.98Å; F241-F289 HydrophobicContact CD1-CE1 3.98Å; F241-F289 HydrophobicContact CD1-CZ 4.14Å; Y242-F289 HydrophobicContact CE1-CB 4.42Å; Y242-F289 PolarHBondContact OH-O 3.31Å; L245-F289 HydrophobicContact CD1-CB 3.93Å; L245-F289 HydrophobicContact CD1-CD1 3.67Å; L245-F289 HydrophobicContact CD1-CD2 4.47Å; L245-F289 HydrophobicContact CD1-CE1 4.3Å; L245-F289 HydrophobicContact CD1-CG 3.77Å; L259-F289 HydrophobicContact CD2-CD2 4.06Å; L259-F289 HydrophobicContact CD2-CE2 3.77Å; L262-F289 HydrophobicContact CD1-CE2 3.88Å; L262-F289 HydrophobicContact CD1-CZ 3.77Å; F284-F289 HydrophobicContact CB-CE2 4.04Å; F284-F289 HydrophobicContact CB-CZ 4.43Å; F284-F289 HydrophobicContact CD1-CE2 4.31Å; F284-F289 AromaticContact CD1-CZ 3.93Å; F284-F289 HydrophobicContact CD1-CZ 3.93Å; F284-F289 HydrophobicContact CE1-CZ 4.49Å; F284-F289 HydrophobicContact CG-CE2 4.31Å; F284-F289 HydrophobicContact CG-CZ 4.2Å; I286-F289 PolarHBondContact O-N 3.41Å; T287-F289 VanDerWaalsContact C-N 3.28Å; F289-F304 HydrophobicContact CB-CE1 4.18Å; F289-F304 HydrophobicContact CD2-CE1 4.49Å; F289-F304 HydrophobicContact CD2-CZ 4.27Å; F289-F319 HydrophobicContact CD1-CB 4.26Å; F289-F319 AromaticContact CD1-CD2 3.9Å; F289-F319 HydrophobicContact CD1-CD2 3.9Å; F289-F319 HydrophobicContact CD1-CE2 4.46Å; F289-F319 HydrophobicContact CD1-CG 4.06Å; F289-F319 HydrophobicContact CE1-CD1 4.33Å; F289-F319 AromaticContact CE1-CD2 3.45Å; F289-F319 HydrophobicContact CE1-CD2 3.45Å; F289-F319 VanDerWaalsContact CE1-CD2 3.45Å; F289-F319 HydrophobicContact CE1-CE1 4.41Å; F289-F319 AromaticContact CE1-CE2 3.57Å; F289-F319 HydrophobicContact CE1-CE2 3.57Å; F289-F319 AromaticContact CE1-CG 3.87Å; F289-F319 HydrophobicContact CE1-CG 3.87Å; F289-F319 HydrophobicContact CE1-CZ 4.07Å; F289-F319 HydrophobicContact CZ-CD2 4.1Å; F289-F319 AromaticContact CZ-CE2 3.92Å; F289-F319 HydrophobicContact CZ-CE2 3.92Å
290	V	94.4	Very high	89.4	Confident	10 Å²	10	69 Å²	69	6%	0.061	36%	0.36	C	S	.	.	S	Bend	trans	-132.2	161.5	179.3	-61.9	0	0	0	0	111.3	I286 T287 Y294 F304 P305 F307	I286-V290 HydrophobicContact CG2-CG2 3.42Å; I286-V290 VanDerWaalsContact CG2-CG2 3.42Å; I286-V290 VanDerWaalsContact O-CG2 3.27Å; I286-V290 WeakPolarHBondContact O-CG2 3.32Å; I286-V290 PolarHBondContact O-N 2.82Å; I286-V290 VanDerWaalsContact O-N 3.13Å; T287-V290 CarbonylContact C-O 3.57Å; T287-V290 WeakPolarHBondContact CA-O 3.49Å; V290-Y294 HydrophobicContact CB-CD1 3.92Å; V290-Y294 HydrophobicContact CB-CG 4.46Å; V290-Y294 HydrophobicContact CG1-CD1 4.09Å; V290-Y294 HydrophobicContact CG1-CE1 4.4Å; V290-Y294 HydrophobicContact CG2-CD1 3.86Å; V290-F304 HydrophobicContact CG1-CD1 4.12Å; V290-F304 HydrophobicContact CG1-CE1 4.37Å; V290-P305 HydrophobicContact CG1-CG 4.16Å; V290-F307 HydrophobicContact CG1-CE1 4.04Å; V290-F307 HydrophobicContact CG1-CZ 3.88Å
291	S	92.9	Very high	89.9	Confident	64 Å²	64	74.5 Å²	74.5	45%	0.448	38%	0.379	S	S	.	.			trans	-59.3	150.1	177.5	74.2	0	0	0	0	111.9	A293 Y294 G295	S291-A293 PolarHBondContact O-N 2.73Å; S291-Y294 PolarHBondContact O-N 3.49Å; S291-Y294 WeakPolarHBondContact OG-CB 3.18Å; S291-Y294 PolarHBondContact OG-N 3.43Å; S291-G295 PolarHBondContact O-N 2.9Å
292	K	90.9	Very high	90.4	Very high	162 Å²	162	81.5 Å²	81.5	70%	0.704	40%	0.403	S	S	*	.	H	α-helix	trans	-54.6	-37.1	176.3	-66.3	-177.8	-179.7	178.6	0	112.6	T287 K296	T287-K292 HydrophobicContact CG2-CG 4.23Å; K292-K296 WeakPolarHBondContact O-CG 3.33Å; K292-K296 PolarHBondContact O-N 3.21Å
293	A	91.1	Very high	90.8	Very high	67 Å²	67	82 Å²	82	55%	0.554	41%	0.406	S	S	*	.	H	α-helix	trans	-67	-42	177.6	0	0	0	0	0	111.9	S291 N297	S291-A293 PolarHBondContact O-N 2.73Å; A293-N297 PolarHBondContact O-ND2 2.64Å
294	Y	91.1	Very high	91.1	Very high	98 Å²	98	75.1 Å²	75.1	38%	0.384	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-46.4	177.3	-171.6	-84.9	0	0	0	111.5	V290 S291 K296 N297 L298 P305	V290-Y294 HydrophobicContact CB-CD1 3.92Å; V290-Y294 HydrophobicContact CB-CG 4.46Å; V290-Y294 HydrophobicContact CG1-CD1 4.09Å; V290-Y294 HydrophobicContact CG1-CE1 4.4Å; V290-Y294 HydrophobicContact CG2-CD1 3.86Å; S291-Y294 PolarHBondContact O-N 3.49Å; S291-Y294 WeakPolarHBondContact OG-CB 3.18Å; S291-Y294 PolarHBondContact OG-N 3.43Å; Y294-K296 VanDerWaalsContact C-N 3.29Å; Y294-K296 PolarHBondContact O-N 3.29Å; Y294-N297 PolarHBondContact O-N 2.89Å; Y294-L298 HydrophobicContact CE1-CB 4.37Å; Y294-L298 HydrophobicContact CE1-CD1 3.93Å; Y294-L298 HydrophobicContact CE1-CD2 4.12Å; Y294-L298 HydrophobicContact CE1-CG 4.37Å; Y294-L298 PolarHBondContact O-N 3.48Å; Y294-P305 HydrophobicContact CE1-CG 4.15Å
295	G	89.7	Confident	91.1	Very high	11 Å²	11	76.2 Å²	76.2	11%	0.113	39%	0.385	C	S	.	.	H	α-helix	trans	-58.7	-37.1	-178.2	0	0	0	0	0	113.7	S291 N297 L298	S291-G295 PolarHBondContact O-N 2.9Å; G295-N297 VanDerWaalsContact C-N 3.26Å; G295-N297 PolarHBondContact O-N 2.68Å; G295-L298 PolarHBondContact O-N 3.41Å
296	K	89.1	Confident	91.3	Very high	184 Å²	184	74 Å²	74	80%	0.8	37%	0.371	S	S	*	.	H	α-helix	trans	-65.7	-26.2	175.5	-75	-179.5	179.5	-171.8	0	114	K292 Y294	K292-K296 WeakPolarHBondContact O-CG 3.33Å; K292-K296 PolarHBondContact O-N 3.21Å; Y294-K296 VanDerWaalsContact C-N 3.29Å; Y294-K296 PolarHBondContact O-N 3.29Å
297	N	88.5	Confident	91.5	Very high	142 Å²	142	73.5 Å²	73.5	76%	0.759	37%	0.368	S	S	*	.	H	α-helix	trans	-99.1	-4.1	-176.5	-68.9	-54.3	0	0	0	112.9	A293 Y294 G295 S299	A293-N297 PolarHBondContact O-ND2 2.64Å; Y294-N297 PolarHBondContact O-N 2.89Å; G295-N297 VanDerWaalsContact C-N 3.26Å; G295-N297 PolarHBondContact O-N 2.68Å; N297-S299 PolarHBondContact O-N 3.18Å
298	L	86.9	Confident	91.7	Very high	19 Å²	19	73 Å²	73	10%	0.099	36%	0.363	C	S	.	.			trans	-85.7	112.3	-179.3	-169.2	66.5	0	0	0	109.9	H255 I286 Y294 G295 R302	H255-L298 HydrophobicContact CB-CD2 4.12Å; H255-L298 WeakPolarHBondContact ND1-CD2 3.49Å; I286-L298 HydrophobicContact CG2-CD2 4.41Å; Y294-L298 HydrophobicContact CE1-CB 4.37Å; Y294-L298 HydrophobicContact CE1-CD1 3.93Å; Y294-L298 HydrophobicContact CE1-CD2 4.12Å; Y294-L298 HydrophobicContact CE1-CG 4.37Å; Y294-L298 PolarHBondContact O-N 3.48Å; G295-L298 PolarHBondContact O-N 3.41Å; L298-R302 HydrophobicContact CD1-CB 3.74Å; L298-R302 HydrophobicContact CG-CB 4.43Å
299	S	86.1	Confident	91.8	Very high	62 Å²	62	72.1 Å²	72.1	43%	0.434	36%	0.358	S	S	.	.			trans	-68.3	146.7	176.1	63.7	0	0	0	0	111.6	H255 N297 E301 R302	H255-S299 VanDerWaalsContact CE1-C 3.46Å; H255-S299 PolarHBondContact CE1-O 3.39Å; H255-S299 PolarHBondContact ND1-O 2.92Å; N297-S299 PolarHBondContact O-N 3.18Å; S299-E301 PolarHBondContact O-N 3.28Å; S299-R302 PolarHBondContact O-N 2.82Å; S299-R302 WeakPolarHBondContact OG-CG 2.7Å
300	Q	78.4	Confident	91.9	Very high	153 Å²	153	72.1 Å²	72.1	72%	0.715	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.8	-171.6	-73.8	-172.7	-9.2	0	0	114.7	H255	H255-Q300 WeakPolarHBondContact CE1-CA 3.28Å
301	E	84.6	Confident	92	Very high	172 Å²	172	73.2 Å²	73.2	80%	0.804	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.2	-178	-62.5	-178.4	168.5	0	0	113.8	S299	S299-E301 PolarHBondContact O-N 3.28Å
302	R	92.6	Very high	92.2	Very high	165 Å²	165	70.6 Å²	70.6	62%	0.623	35%	0.35	S	S	*	.	S	Bend	trans	-81	143.6	-177.6	-78.5	-168.7	-176.8	-158.2	3.6	112	H255 L298 S299	H255-R302 PolarHBondContact N-O 3.1Å; H255-R302 PolarHBondContact ND1-O 3.01Å; L298-R302 HydrophobicContact CD1-CB 3.74Å; L298-R302 HydrophobicContact CG-CB 4.43Å; S299-R302 PolarHBondContact O-N 2.82Å; S299-R302 WeakPolarHBondContact OG-CG 2.7Å
303	P	94.5	Very high	92.5	Very high	29 Å²	29	63.5 Å²	63.5	19%	0.188	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-68.3	165.1	172.3	32	-37.4	0	0	0	111.4	T249 M253	T249-P303 HydrophobicContact CG2-CB 4.47Å; M253-P303 VanDerWaalsContact O-CA 3.24Å; M253-P303 WeakPolarHBondContact O-CA 3.44Å; M253-P303 WeakPolarHBondContact O-CB 3.43Å
304	F	95.6	Very high	92.7	Very high	3 Å²	3	64.5 Å²	64.5	1%	0.013	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-59.6	155.9	163.7	-80.7	-79.1	0	0	0	110.7	L245 T249 H255 V258 L259 I286 F289 V290 F307	L245-F304 HydrophobicContact CD2-CD2 3.73Å; L245-F304 HydrophobicContact CD2-CE2 3.88Å; L245-F304 HydrophobicContact CD2-CG 4.17Å; L245-F304 HydrophobicContact CD2-CZ 4.48Å; T249-F304 WeakPolarHBondContact CG2-O 3.31Å; T249-F304 PolarHBondContact OG1-O 2.82Å; H255-F304 HydrophobicContact CB-CD2 3.67Å; H255-F304 HydrophobicContact CB-CE2 3.53Å; H255-F304 HydrophobicContact CB-CG 4.28Å; H255-F304 HydrophobicContact CB-CZ 4.01Å; V258-F304 HydrophobicContact CB-CD2 4.01Å; V258-F304 HydrophobicContact CB-CE2 3.91Å; V258-F304 HydrophobicContact CG1-CD2 3.87Å; V258-F304 HydrophobicContact CG1-CE2 3.85Å; V258-F304 HydrophobicContact CG2-CD2 4.31Å; L259-F304 HydrophobicContact CD2-CE2 4.35Å; L259-F304 HydrophobicContact CD2-CZ 3.98Å; L259-F304 HydrophobicContact CG-CE2 4.3Å; L259-F304 HydrophobicContact CG-CZ 4.18Å; I286-F304 HydrophobicContact CG2-CE1 4.26Å; F289-F304 HydrophobicContact CB-CE1 4.18Å; F289-F304 HydrophobicContact CD2-CE1 4.49Å; F289-F304 HydrophobicContact CD2-CZ 4.27Å; V290-F304 HydrophobicContact CG1-CD1 4.12Å; V290-F304 HydrophobicContact CG1-CE1 4.37Å; F304-F307 HydrophobicContact CB-CE2 3.95Å; F304-F307 HydrophobicContact CB-CZ 4.35Å; F304-F307 HydrophobicContact CD1-CE2 4.46Å; F304-F307 HydrophobicContact CD1-CZ 4.18Å; F304-F307 HydrophobicContact CG-CE2 4.48Å
305	P	95.4	Very high	92.9	Very high	35 Å²	35	66.6 Å²	66.6	23%	0.227	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.4	158.9	170.7	30.2	-33.9	0	0	0	110.4	V290 Y294 F307	V290-P305 HydrophobicContact CG1-CG 4.16Å; Y294-P305 HydrophobicContact CE1-CG 4.15Å; P305-F307 HydrophobicContact CG-CE1 3.87Å; P305-F307 HydrophobicContact CG-CE2 4.33Å; P305-F307 HydrophobicContact CG-CZ 3.74Å; P305-F307 WeakPolarHBondContact O-CD2 3.34Å; P305-F307 WeakPolarHBondContact O-CE2 3.39Å; P305-F307 PolarHBondContact O-N 3.15Å
306	W	96.6	Very high	93.2	Very high	70 Å²	70	72 Å²	72	27%	0.265	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-69.7	129.6	168.2	-177.5	-92.4	0	0	0	110.3	K162 T185 N186 N246 A250	K162-W306 HydrophobicContact CG-CH2 4.41Å; K162-W306 HydrophobicContact CG-CZ2 4.13Å; K162-W306 WeakPolarHBondContact O-CH2 3.33Å; K162-W306 VanDerWaalsContact O-CZ2 3.29Å; K162-W306 WeakPolarHBondContact O-CZ2 3.24Å; T185-W306 PolarHBondContact OG1-NE1 3.12Å; N186-W306 HydrophobicContact CB-CZ2 4.17Å; N246-W306 HydrophobicContact CB-CE3 4.1Å; N246-W306 HydrophobicContact CB-CH2 3.94Å; N246-W306 HydrophobicContact CB-CZ2 4.49Å; N246-W306 HydrophobicContact CB-CZ3 3.73Å; N246-W306 WeakPolarHBondContact O-CZ3 3.45Å; A250-W306 HydrophobicContact CB-CZ3 4.45Å
307	F	97.5	Very high	93.5	Very high	25 Å²	25	64 Å²	64	11%	0.11	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-102.5	134.9	-178.7	-59	-83.9	0	0	0	111.7	Y242 L245 N246 V290 F304 P305 L309 V312	Y242-F307 HydrophobicContact CD1-CB 3.87Å; Y242-F307 AromaticContact CD1-CD1 3.57Å; Y242-F307 HydrophobicContact CD1-CD1 3.57Å; Y242-F307 AromaticContact CD1-CD2 3.7Å; Y242-F307 HydrophobicContact CD1-CD2 3.7Å; Y242-F307 AromaticContact CD1-CE1 3.93Å; Y242-F307 HydrophobicContact CD1-CE1 3.93Å; Y242-F307 HydrophobicContact CD1-CE2 4.04Å; Y242-F307 AromaticContact CD1-CG 3.44Å; Y242-F307 HydrophobicContact CD1-CG 3.44Å; Y242-F307 VanDerWaalsContact CD1-CG 3.44Å; Y242-F307 HydrophobicContact CD1-CZ 4.14Å; Y242-F307 AromaticContact CE1-CD1 3.56Å; Y242-F307 HydrophobicContact CE1-CD1 3.56Å; Y242-F307 HydrophobicContact CE1-CD2 4.33Å; Y242-F307 AromaticContact CE1-CE1 3.57Å; Y242-F307 HydrophobicContact CE1-CE1 3.57Å; Y242-F307 HydrophobicContact CE1-CE2 4.32Å; Y242-F307 AromaticContact CE1-CG 3.95Å; Y242-F307 HydrophobicContact CE1-CG 3.95Å; Y242-F307 AromaticContact CE1-CZ 3.96Å; Y242-F307 HydrophobicContact CE1-CZ 3.96Å; L245-F307 HydrophobicContact CB-CD2 4.11Å; L245-F307 HydrophobicContact CB-CE2 3.94Å; L245-F307 HydrophobicContact CD1-CD2 4.34Å; L245-F307 HydrophobicContact CD1-CE2 3.73Å; L245-F307 HydrophobicContact CD1-CZ 4.22Å; L245-F307 HydrophobicContact CG-CE2 4.43Å; N246-F307 PolarHBondContact ND2-O 2.64Å; N246-F307 PolarHBondContact OD1-N 2.96Å; V290-F307 HydrophobicContact CG1-CE1 4.04Å; V290-F307 HydrophobicContact CG1-CZ 3.88Å; F304-F307 HydrophobicContact CB-CE2 3.95Å; F304-F307 HydrophobicContact CB-CZ 4.35Å; F304-F307 HydrophobicContact CD1-CE2 4.46Å; F304-F307 HydrophobicContact CD1-CZ 4.18Å; F304-F307 HydrophobicContact CG-CE2 4.48Å; P305-F307 HydrophobicContact CG-CE1 3.87Å; P305-F307 HydrophobicContact CG-CE2 4.33Å; P305-F307 HydrophobicContact CG-CZ 3.74Å; P305-F307 WeakPolarHBondContact O-CD2 3.34Å; P305-F307 WeakPolarHBondContact O-CE2 3.39Å; P305-F307 PolarHBondContact O-N 3.15Å; F307-L309 PolarHBondContact O-N 2.9Å; F307-V312 HydrophobicContact CB-CG2 4.46Å
308	D	97.9	Very high	93.8	Very high	40 Å²	40	59.3 Å²	59.3	21%	0.214	29%	0.292	C	S	.	.			trans	-77.7	102.3	168.4	-178.9	-9.4	0	0	0	109.5	K179 T185 T310 A311 V312	K179-D308 IonicContact NZ-OD2 2.61Å; K179-D308 PolarHBondContact NZ-OD2 2.88Å; T185-D308 HydrophobicContact CG2-CB 4.43Å; D308-T310 PolarHBondContact O-N 2.92Å; D308-T310 WeakPolarHBondContact OD1-CB 3.42Å; D308-T310 PolarHBondContact OD1-N 3.47Å; D308-T310 PolarHBondContact OD1-OG1 3.33Å; D308-T310 PolarHBondContact OD2-OG1 3.02Å; D308-A311 HydrophobicContact CB-CB 4Å; D308-A311 WeakPolarHBondContact O-CB 3.46Å; D308-A311 PolarHBondContact O-N 3.44Å; D308-A311 PolarHBondContact OD1-N 3.22Å; D308-V312 WeakPolarHBondContact O-CG2 3.31Å; D308-V312 PolarHBondContact O-N 2.97Å
309	L	97.9	Very high	94.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-27	-178.1	-62.8	-168.1	0	0	0	112.5	T185 N186 A243 F307 A311 V312 Q313	T185-L309 WeakPolarHBondContact O-CB 3.33Å; T185-L309 PolarHBondContact O-N 3.26Å; T185-L309 VanDerWaalsContact O-N 3.08Å; N186-L309 WeakPolarHBondContact OD1-CD1 3.39Å; N186-L309 WeakPolarHBondContact OD1-CG 3.26Å; A243-L309 HydrophobicContact CB-CD1 3.88Å; F307-L309 PolarHBondContact O-N 2.9Å; L309-A311 VanDerWaalsContact C-N 3.35Å; L309-V312 PolarHBondContact O-N 2.82Å; L309-Q313 WeakPolarHBondContact O-CG 3.4Å; L309-Q313 PolarHBondContact O-N 3.11Å; L309-Q313 VanDerWaalsContact O-N 3.14Å; L309-Q313 PolarHBondContact O-NE2 3.4Å
310	T	97.3	Very high	94.6	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-38.4	175.4	73.2	0	0	0	0	111	L175 K179 I187 D308 L314	L175-T310 HydrophobicContact CD2-CG2 4.42Å; K179-T310 HydrophobicContact CB-CG2 4.13Å; K179-T310 HydrophobicContact CD-CG2 4.48Å; K179-T310 WeakPolarHBondContact CD-OG1 3.41Å; K179-T310 HydrophobicContact CG-CG2 4.35Å; I187-T310 HydrophobicContact CB-CG2 3.99Å; I187-T310 HydrophobicContact CD1-CG2 4.18Å; I187-T310 HydrophobicContact CG1-CG2 4.39Å; D308-T310 PolarHBondContact O-N 2.92Å; D308-T310 WeakPolarHBondContact OD1-CB 3.42Å; D308-T310 PolarHBondContact OD1-N 3.47Å; D308-T310 PolarHBondContact OD1-OG1 3.33Å; D308-T310 PolarHBondContact OD2-OG1 3.02Å; T310-L314 WeakPolarHBondContact O-CB 3.38Å; T310-L314 VanDerWaalsContact O-CD1 3.31Å; T310-L314 WeakPolarHBondContact O-CD1 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.39Å; T310-L314 PolarHBondContact O-N 3.22Å
311	A	97.2	Very high	95.3	Very high	32 Å²	32	54.3 Å²	54.3	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-70	-40.1	176.1	0	0	0	0	0	111.5	D308 L309 Q313 L314 K315	D308-A311 HydrophobicContact CB-CB 4Å; D308-A311 WeakPolarHBondContact O-CB 3.46Å; D308-A311 PolarHBondContact O-N 3.44Å; D308-A311 PolarHBondContact OD1-N 3.22Å; L309-A311 VanDerWaalsContact C-N 3.35Å; A311-Q313 VanDerWaalsContact C-N 3.29Å; A311-Q313 PolarHBondContact O-N 3.12Å; A311-L314 PolarHBondContact O-N 3.18Å; A311-L314 VanDerWaalsContact O-N 3.13Å; A311-K315 WeakPolarHBondContact O-CB 3.3Å; A311-K315 PolarHBondContact O-N 2.69Å
312	V	97.3	Very high	95.7	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-55.2	-44.4	175.2	168.7	0	0	0	0	111.3	E238 Y242 F307 D308 L309 L314 T317	E238-V312 HydrophobicContact CB-CG1 4.17Å; Y242-V312 HydrophobicContact CD1-CG2 3.96Å; Y242-V312 HydrophobicContact CD2-CB 4.34Å; Y242-V312 HydrophobicContact CD2-CG1 3.38Å; Y242-V312 HydrophobicContact CD2-CG2 3.97Å; Y242-V312 HydrophobicContact CE1-CG2 4.34Å; Y242-V312 HydrophobicContact CE2-CG1 3.86Å; Y242-V312 HydrophobicContact CE2-CG2 4.35Å; Y242-V312 HydrophobicContact CG-CB 4.49Å; Y242-V312 HydrophobicContact CG-CG1 3.92Å; Y242-V312 HydrophobicContact CG-CG2 3.76Å; F307-V312 HydrophobicContact CB-CG2 4.46Å; D308-V312 WeakPolarHBondContact O-CG2 3.31Å; D308-V312 PolarHBondContact O-N 2.97Å; L309-V312 PolarHBondContact O-N 2.82Å; V312-L314 VanDerWaalsContact C-N 3.31Å; V312-L314 PolarHBondContact O-N 3.47Å; V312-T317 HydrophobicContact CB-CG2 4.49Å; V312-T317 HydrophobicContact CG1-CG2 4.3Å
313	Q	96.9	Very high	95.7	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.065	20%	0.203	C	C	.	.	H	α-helix	trans	-76	-16.9	-179.2	-73.6	165.8	96.4	0	0	114.2	L175 I187 R189 L309 A311	L175-Q313 HydrophobicContact CD1-CB 3.55Å; L175-Q313 HydrophobicContact CD1-CG 4.29Å; I187-Q313 PolarHBondContact O-NE2 2.92Å; R189-Q313 PolarHBondContact O-OE1 2.87Å; L309-Q313 WeakPolarHBondContact O-CG 3.4Å; L309-Q313 PolarHBondContact O-N 3.11Å; L309-Q313 VanDerWaalsContact O-N 3.14Å; L309-Q313 PolarHBondContact O-NE2 3.4Å; A311-Q313 VanDerWaalsContact C-N 3.29Å; A311-Q313 PolarHBondContact O-N 3.12Å
314	L	96.1	Very high	95.6	Very high	87 Å²	87	43 Å²	43	46%	0.455	22%	0.223	S	C	.	.	H	α-helix	trans	-105.1	-17.5	-174.4	-69.3	172.4	0	0	0	113.7	L175 P176 T310 A311 V312	L175-L314 HydrophobicContact CB-CD1 4.24Å; L175-L314 HydrophobicContact CB-CD2 4.37Å; L175-L314 HydrophobicContact CB-CG 4.44Å; L175-L314 HydrophobicContact CD1-CD2 4.36Å; L175-L314 HydrophobicContact CD1-CG 4.33Å; P176-L314 HydrophobicContact CG-CD1 3.73Å; T310-L314 WeakPolarHBondContact O-CB 3.38Å; T310-L314 VanDerWaalsContact O-CD1 3.31Å; T310-L314 WeakPolarHBondContact O-CD1 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.39Å; T310-L314 PolarHBondContact O-N 3.22Å; A311-L314 PolarHBondContact O-N 3.18Å; A311-L314 VanDerWaalsContact O-N 3.13Å; V312-L314 VanDerWaalsContact C-N 3.31Å; V312-L314 PolarHBondContact O-N 3.47Å
315	K	95.5	Very high	95.4	Very high	143 Å²	143	47.1 Å²	47.1	62%	0.622	25%	0.252	S	S	*	.	S	Bend	trans	-126.5	161.4	-173.7	-60.3	-174.5	-179.2	-177.6	0	111	K235 A311	K235-K315 PolarHBondContact NZ-O 3.26Å; A311-K315 WeakPolarHBondContact O-CB 3.3Å; A311-K315 PolarHBondContact O-N 2.69Å
316	E	95.1	Very high	95.2	Very high	124 Å²	124	46.5 Å²	46.5	58%	0.579	25%	0.249	S	C	*	.			trans	-68.6	134.2	167.2	-74.9	-57.5	111.3	0	0	110.4	K235 S320	K235-E316 VanDerWaalsContact CE-OE1 3.31Å; K235-E316 WeakPolarHBondContact CE-OE1 3.19Å; K235-E316 IonicContact NZ-OE1 3.33Å; K235-E316 PolarHBondContact NZ-OE1 2.87Å; K235-E316 IonicContact NZ-OE2 4Å; E316-S320 WeakPolarHBondContact OE2-CB 3.44Å
317	T	95.4	Very high	95	Very high	16 Å²	16	47.1 Å²	47.1	10%	0.098	26%	0.262	C	S	.	.			trans	-118.9	161.6	176	79.1	0	0	0	0	109.2	E238 Y242 V312 F319 S320 Q321	E238-T317 PolarHBondContact OE2-OG1 3.24Å; Y242-T317 HydrophobicContact CE2-CG2 4.38Å; Y242-T317 WeakPolarHBondContact OH-CB 3.36Å; Y242-T317 PolarHBondContact OH-OG1 3.12Å; V312-T317 HydrophobicContact CB-CG2 4.49Å; V312-T317 HydrophobicContact CG1-CG2 4.3Å; T317-F319 PolarHBondContact O-N 3.27Å; T317-F319 PolarHBondContact OG1-N 3.22Å; T317-S320 PolarHBondContact N-OG 3.19Å; T317-S320 WeakPolarHBondContact O-CB 3.2Å; T317-S320 PolarHBondContact O-N 3.1Å; T317-S320 VanDerWaalsContact O-N 3.11Å; T317-S320 PolarHBondContact O-OG 2.93Å; T317-S320 PolarHBondContact OG1-N 3.11Å; T317-S320 VanDerWaalsContact OG1-N 3.13Å; T317-S320 PolarHBondContact OG1-OG 3.28Å; T317-Q321 PolarHBondContact O-N 2.86Å
318	P	95.4	Very high	94.6	Very high	44 Å²	44	48.5 Å²	48.5	29%	0.286	27%	0.272	S	S	.	.	H	α-helix	trans	-53.6	-34.1	170.9	-25.1	35.3	0	0	0	112	T287 D288 Q321 H322	T287-P318 WeakPolarHBondContact O-CB 3.49Å; D288-P318 CarbonylContact O-C 3.56Å; D288-P318 VanDerWaalsContact O-C 3.28Å; P318-Q321 PolarHBondContact O-N 3.33Å; P318-H322 PolarHBondContact O-N 3.24Å; P318-H322 VanDerWaalsContact O-N 3.08Å
319	F	96	Very high	94.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-72.5	-33.3	-179.6	-163.3	-121	0	0	0	112.4	E238 F241 Y242 F284 D288 F289 T317 Q321 H322 L323 L329	E238-F319 HydrophobicContact CB-CD1 4.38Å; E238-F319 HydrophobicContact CG-CD1 4.14Å; F241-F319 HydrophobicContact CB-CD1 4.35Å; F241-F319 HydrophobicContact CB-CE1 3.86Å; F241-F319 HydrophobicContact CB-CZ 4.41Å; F241-F319 AromaticContact CD1-CE1 3.95Å; F241-F319 HydrophobicContact CD1-CE1 3.95Å; F241-F319 HydrophobicContact CD1-CE2 4.41Å; F241-F319 AromaticContact CD1-CZ 3.64Å; F241-F319 HydrophobicContact CD1-CZ 3.64Å; F241-F319 AromaticContact CD2-CE1 3.53Å; F241-F319 HydrophobicContact CD2-CE1 3.53Å; F241-F319 AromaticContact CD2-CZ 3.84Å; F241-F319 HydrophobicContact CD2-CZ 3.84Å; F241-F319 HydrophobicContact CE1-CE1 4.37Å; F241-F319 HydrophobicContact CE1-CE2 4.5Å; F241-F319 AromaticContact CE1-CZ 3.72Å; F241-F319 HydrophobicContact CE1-CZ 3.72Å; F241-F319 AromaticContact CE2-CE1 3.99Å; F241-F319 HydrophobicContact CE2-CE1 3.99Å; F241-F319 AromaticContact CE2-CZ 3.91Å; F241-F319 HydrophobicContact CE2-CZ 3.91Å; F241-F319 HydrophobicContact CG-CD1 4.43Å; F241-F319 AromaticContact CG-CE1 3.5Å; F241-F319 HydrophobicContact CG-CE1 3.5Å; F241-F319 VanDerWaalsContact CG-CE1 3.5Å; F241-F319 AromaticContact CG-CZ 3.69Å; F241-F319 HydrophobicContact CG-CZ 3.69Å; F241-F319 HydrophobicContact CZ-CE1 4.38Å; F241-F319 AromaticContact CZ-CZ 3.84Å; F241-F319 HydrophobicContact CZ-CZ 3.84Å; Y242-F319 HydrophobicContact CE2-CB 3.9Å; Y242-F319 HydrophobicContact CE2-CD1 4.47Å; F284-F319 HydrophobicContact CD1-CE2 4.37Å; F284-F319 HydrophobicContact CE1-CE2 4.01Å; F284-F319 HydrophobicContact CE1-CZ 4.33Å; D288-F319 HydrophobicContact CB-CD2 4.32Å; D288-F319 WeakPolarHBondContact O-CA 3.35Å; D288-F319 WeakPolarHBondContact O-CB 3.25Å; D288-F319 PolarHBondContact O-N 2.92Å; F289-F319 HydrophobicContact CD1-CB 4.26Å; F289-F319 AromaticContact CD1-CD2 3.9Å; F289-F319 HydrophobicContact CD1-CD2 3.9Å; F289-F319 HydrophobicContact CD1-CE2 4.46Å; F289-F319 HydrophobicContact CD1-CG 4.06Å; F289-F319 HydrophobicContact CE1-CD1 4.33Å; F289-F319 AromaticContact CE1-CD2 3.45Å; F289-F319 HydrophobicContact CE1-CD2 3.45Å; F289-F319 VanDerWaalsContact CE1-CD2 3.45Å; F289-F319 HydrophobicContact CE1-CE1 4.41Å; F289-F319 AromaticContact CE1-CE2 3.57Å; F289-F319 HydrophobicContact CE1-CE2 3.57Å; F289-F319 AromaticContact CE1-CG 3.87Å; F289-F319 HydrophobicContact CE1-CG 3.87Å; F289-F319 HydrophobicContact CE1-CZ 4.07Å; F289-F319 HydrophobicContact CZ-CD2 4.1Å; F289-F319 AromaticContact CZ-CE2 3.92Å; F289-F319 HydrophobicContact CZ-CE2 3.92Å; T317-F319 PolarHBondContact O-N 3.27Å; T317-F319 PolarHBondContact OG1-N 3.22Å; F319-Q321 VanDerWaalsContact C-N 3.26Å; F319-Q321 PolarHBondContact O-N 3.26Å; F319-H322 HydrophobicContact CD2-CB 4.37Å; F319-H322 PolarHBondContact O-N 2.93Å; F319-L323 HydrophobicContact CD1-CD1 3.8Å; F319-L323 HydrophobicContact CD1-CG 4Å; F319-L323 HydrophobicContact CE1-CD1 3.6Å; F319-L323 HydrophobicContact CE1-CD2 3.88Å; F319-L323 HydrophobicContact CE1-CG 3.71Å; F319-L323 HydrophobicContact CE2-CD2 4.41Å; F319-L323 HydrophobicContact CE2-CG 4.43Å; F319-L323 HydrophobicContact CG-CG 4.48Å; F319-L323 HydrophobicContact CZ-CD1 4.31Å; F319-L323 HydrophobicContact CZ-CD2 3.74Å; F319-L323 HydrophobicContact CZ-CG 3.94Å; F319-L323 WeakPolarHBondContact O-CG 3.36Å; F319-L323 PolarHBondContact O-N 3.12Å; F319-L329 HydrophobicContact CE2-CD2 4.5Å
320	S	93.5	Very high	94	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-56.2	-44.6	173	-39.4	0	0	0	0	111.2	K235 E238 E316 T317 S324	K235-S320 PolarHBondContact NZ-OG 3.09Å; E238-S320 WeakPolarHBondContact OE1-CA 3.43Å; E238-S320 VanDerWaalsContact OE1-CB 3.24Å; E238-S320 WeakPolarHBondContact OE1-CB 3.4Å; E238-S320 PolarHBondContact OE1-OG 2.91Å; E238-S320 PolarHBondContact OE2-OG 2.96Å; E316-S320 WeakPolarHBondContact OE2-CB 3.44Å; T317-S320 PolarHBondContact N-OG 3.19Å; T317-S320 WeakPolarHBondContact O-CB 3.2Å; T317-S320 PolarHBondContact O-N 3.1Å; T317-S320 VanDerWaalsContact O-N 3.11Å; T317-S320 PolarHBondContact O-OG 2.93Å; T317-S320 PolarHBondContact OG1-N 3.11Å; T317-S320 VanDerWaalsContact OG1-N 3.13Å; T317-S320 PolarHBondContact OG1-OG 3.28Å; S320-S324 WeakPolarHBondContact O-CB 3.43Å; S320-S324 PolarHBondContact O-N 2.89Å; S320-S324 PolarHBondContact O-OG 3.47Å
321	Q	92.4	Very high	93.7	Very high	128 Å²	128	52.1 Å²	52.1	60%	0.598	29%	0.29	S	S	*	.	H	α-helix	trans	-67.5	-43.8	178.5	-62.6	178.1	-3.4	0	0	110.7	T317 P318 F319 S324 S325	T317-Q321 PolarHBondContact O-N 2.86Å; P318-Q321 PolarHBondContact O-N 3.33Å; F319-Q321 VanDerWaalsContact C-N 3.26Å; F319-Q321 PolarHBondContact O-N 3.26Å; Q321-S324 PolarHBondContact O-N 3.09Å; Q321-S325 VanDerWaalsContact O-CB 3.31Å; Q321-S325 WeakPolarHBondContact O-CB 3.44Å; Q321-S325 PolarHBondContact O-N 3.32Å; Q321-S325 PolarHBondContact O-OG 2.98Å; Q321-S325 VanDerWaalsContact O-OG 3.05Å
322	H	93.6	Very high	93.4	Very high	37 Å²	37	50.6 Å²	50.6	17%	0.171	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-52.3	177.6	-173.5	71.4	0	0	0	111.9	D288 P318 F319 S324 S325 S326 L329	D288-H322 IonicContact OD1-CE1 2.89Å; D288-H322 IonicContact OD1-CG 3.43Å; D288-H322 IonicContact OD1-ND1 3.36Å; P318-H322 PolarHBondContact O-N 3.24Å; P318-H322 VanDerWaalsContact O-N 3.08Å; F319-H322 HydrophobicContact CD2-CB 4.37Å; F319-H322 PolarHBondContact O-N 2.93Å; H322-S324 VanDerWaalsContact C-N 3.31Å; H322-S324 PolarHBondContact O-N 3.05Å; H322-S325 PolarHBondContact O-N 3.12Å; H322-S325 PolarHBondContact O-OG 3.49Å; H322-S326 WeakPolarHBondContact O-CB 3.31Å; H322-S326 PolarHBondContact O-N 3.23Å; H322-S326 VanDerWaalsContact O-N 3.16Å; H322-L329 WeakPolarHBondContact CD2-CD2 3.25Å; H322-L329 WeakPolarHBondContact NE2-CD2 3.11Å
323	L	93.5	Very high	93.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-45	176.3	-72.7	177.7	0	0	0	111.8	E238 F319 S325 L329 Q330 L333	E238-L323 HydrophobicContact CG-CD1 3.65Å; F319-L323 HydrophobicContact CD1-CD1 3.8Å; F319-L323 HydrophobicContact CD1-CG 4Å; F319-L323 HydrophobicContact CE1-CD1 3.6Å; F319-L323 HydrophobicContact CE1-CD2 3.88Å; F319-L323 HydrophobicContact CE1-CG 3.71Å; F319-L323 HydrophobicContact CE2-CD2 4.41Å; F319-L323 HydrophobicContact CE2-CG 4.43Å; F319-L323 HydrophobicContact CG-CG 4.48Å; F319-L323 HydrophobicContact CZ-CD1 4.31Å; F319-L323 HydrophobicContact CZ-CD2 3.74Å; F319-L323 HydrophobicContact CZ-CG 3.94Å; F319-L323 WeakPolarHBondContact O-CG 3.36Å; F319-L323 PolarHBondContact O-N 3.12Å; L323-S325 VanDerWaalsContact C-N 3.31Å; L323-S325 PolarHBondContact O-N 3.5Å; L323-L329 HydrophobicContact CD2-CD2 3.69Å; L323-L329 HydrophobicContact CD2-CG 4.13Å; L323-Q330 PolarHBondContact O-NE2 3.2Å; L323-L333 HydrophobicContact CD2-CD1 3.71Å
324	S	91.8	Very high	93.1	Very high	88 Å²	88	51 Å²	51	62%	0.615	28%	0.28	S	S	*	.	H	α-helix	trans	-68	-31.3	-178.5	-56.6	0	0	0	0	112.7	S320 Q321 H322	S320-S324 WeakPolarHBondContact O-CB 3.43Å; S320-S324 PolarHBondContact O-N 2.89Å; S320-S324 PolarHBondContact O-OG 3.47Å; Q321-S324 PolarHBondContact O-N 3.09Å; H322-S324 VanDerWaalsContact C-N 3.31Å; H322-S324 PolarHBondContact O-N 3.05Å
325	S	91.8	Very high	92.9	Very high	89 Å²	89	48.8 Å²	48.8	62%	0.622	27%	0.268	S	S	*	.	H	α-helix	trans	-87.6	-9.6	-177.3	68.7	0	0	0	0	114.9	Q321 H322 L323 P327	Q321-S325 VanDerWaalsContact O-CB 3.31Å; Q321-S325 WeakPolarHBondContact O-CB 3.44Å; Q321-S325 PolarHBondContact O-N 3.32Å; Q321-S325 PolarHBondContact O-OG 2.98Å; Q321-S325 VanDerWaalsContact O-OG 3.05Å; H322-S325 PolarHBondContact O-N 3.12Å; H322-S325 PolarHBondContact O-OG 3.49Å; L323-S325 VanDerWaalsContact C-N 3.31Å; L323-S325 PolarHBondContact O-N 3.5Å; S325-P327 WeakPolarHBondContact O-CD 3.47Å
326	S	91.4	Very high	92.9	Very high	23 Å²	23	42.6 Å²	42.6	16%	0.161	24%	0.241	C	C	.	.			trans	-124.7	87.4	-170.9	-174.2	0	0	0	0	112.2	H322 V328 L329 Q330	H322-S326 WeakPolarHBondContact O-CB 3.31Å; H322-S326 PolarHBondContact O-N 3.23Å; H322-S326 VanDerWaalsContact O-N 3.16Å; S326-V328 PolarHBondContact O-N 3.16Å; S326-L329 PolarHBondContact O-N 3.1Å; S326-L329 VanDerWaalsContact O-N 3.12Å; S326-L329 WeakPolarHBondContact OG-CB 3.27Å; S326-L329 PolarHBondContact OG-N 3.48Å; S326-Q330 WeakPolarHBondContact O-CG 3.42Å; S326-Q330 PolarHBondContact O-N 2.89Å
327	P	90.6	Very high	92.9	Very high	82 Å²	82	36.7 Å²	36.7	53%	0.532	21%	0.214	S	C	.	.	H	α-helix	trans	-56.4	-38.3	174.5	-25.4	34.6	0	0	0	112.6	S325 L329 Q330 D331	S325-P327 WeakPolarHBondContact O-CD 3.47Å; P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.01Å; P327-Q330 WeakPolarHBondContact O-CA 3.32Å; P327-Q330 WeakPolarHBondContact O-CB 3.45Å; P327-Q330 PolarHBondContact O-N 3.3Å; P327-D331 PolarHBondContact O-N 3.21Å
328	V	89.8	Confident	92.9	Very high	54 Å²	54	36 Å²	36	33%	0.327	21%	0.21	S	C	.	.	H	α-helix	trans	-58.8	-40.6	177.6	-179.2	0	0	0	0	111.4	F271 S326 D331 H332	F271-V328 HydrophobicContact CE1-CG1 4.06Å; F271-V328 HydrophobicContact CZ-CG1 4.11Å; S326-V328 PolarHBondContact O-N 3.16Å; V328-D331 PolarHBondContact O-N 3.29Å; V328-H332 PolarHBondContact O-CD2 3.32Å; V328-H332 VanDerWaalsContact O-CD2 3.29Å; V328-H332 PolarHBondContact O-N 2.72Å
329	L	91.6	Very high	92.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-40.9	174.9	178.3	59.1	0	0	0	111.3	L267 P282 F284 F319 H322 L323 S326 P327 D331 H332 L333	L267-L329 HydrophobicContact CD2-CD1 3.72Å; P282-L329 HydrophobicContact CB-CB 4.45Å; P282-L329 HydrophobicContact CB-CD1 4.37Å; P282-L329 HydrophobicContact CG-CD1 4.14Å; F284-L329 HydrophobicContact CE1-CD1 4.08Å; F284-L329 HydrophobicContact CE1-CD2 4.21Å; F284-L329 HydrophobicContact CZ-CD1 4.04Å; F319-L329 HydrophobicContact CE2-CD2 4.5Å; H322-L329 WeakPolarHBondContact CD2-CD2 3.25Å; H322-L329 WeakPolarHBondContact NE2-CD2 3.11Å; L323-L329 HydrophobicContact CD2-CD2 3.69Å; L323-L329 HydrophobicContact CD2-CG 4.13Å; S326-L329 PolarHBondContact O-N 3.1Å; S326-L329 VanDerWaalsContact O-N 3.12Å; S326-L329 WeakPolarHBondContact OG-CB 3.27Å; S326-L329 PolarHBondContact OG-N 3.48Å; P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.01Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 2.96Å; L329-H332 WeakPolarHBondContact O-CB 3.39Å; L329-H332 PolarHBondContact O-N 2.9Å; L329-L333 HydrophobicContact CD1-CD1 4.1Å; L329-L333 HydrophobicContact CD1-CD2 4.45Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CG-CD1 4.01Å; L329-L333 HydrophobicContact CG-CG 4.42Å; L329-L333 VanDerWaalsContact O-CG 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.35Å; L329-L333 PolarHBondContact O-N 2.92Å
330	Q	92.6	Very high	92.8	Very high	48 Å²	48	37.3 Å²	37.3	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-40	176.4	-57	180	12.9	0	0	111.4	Y224 L323 S326 P327 L333 T334	Y224-Q330 HydrophobicContact CD1-CG 4.39Å; Y224-Q330 HydrophobicContact CD2-CB 4.14Å; Y224-Q330 HydrophobicContact CE1-CB 4.29Å; Y224-Q330 HydrophobicContact CE1-CG 3.75Å; Y224-Q330 HydrophobicContact CE2-CB 3.83Å; Y224-Q330 HydrophobicContact CE2-CG 4.04Å; L323-Q330 PolarHBondContact O-NE2 3.2Å; S326-Q330 WeakPolarHBondContact O-CG 3.42Å; S326-Q330 PolarHBondContact O-N 2.89Å; P327-Q330 WeakPolarHBondContact O-CA 3.32Å; P327-Q330 WeakPolarHBondContact O-CB 3.45Å; P327-Q330 PolarHBondContact O-N 3.3Å; Q330-L333 PolarHBondContact O-N 3.39Å; Q330-T334 WeakPolarHBondContact O-CB 3.46Å; Q330-T334 PolarHBondContact O-N 3.03Å; Q330-T334 PolarHBondContact O-OG1 3.34Å
331	D	90.1	Very high	92.9	Very high	73 Å²	73	38.5 Å²	38.5	39%	0.39	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-47	175.6	-69.3	-27.8	0	0	0	111.3	F271 P327 V328 L329 L333 T334 H335	F271-D331 HydrophobicContact CD1-CB 4.48Å; F271-D331 HydrophobicContact CE1-CB 4.36Å; P327-D331 PolarHBondContact O-N 3.21Å; V328-D331 PolarHBondContact O-N 3.29Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 2.96Å; D331-L333 VanDerWaalsContact C-N 3.32Å; D331-L333 PolarHBondContact O-N 3.03Å; D331-T334 PolarHBondContact O-N 3.18Å; D331-H335 PolarHBondContact O-N 3.39Å; D331-H335 PolarHBondContact O-ND1 3.26Å
332	H	91.4	Very high	92.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-55.3	-46.9	174.4	-92.7	-80	0	0	0	112.3	L267 V269 H270 F271 C274 P282 V328 L329 T334 H335 L336	L267-H332 HydrophobicContact CD2-CB 4Å; V269-H332 PolarHBondContact O-CE1 2.95Å; V269-H332 PolarHBondContact O-ND1 3.33Å; H270-H332 AromaticContact ND1-CE1 3.51Å; F271-H332 AromaticContact CE1-CD2 3.82Å; F271-H332 AromaticContact CE1-NE2 3.77Å; C274-H332 PolarHBondContact SG-NE2 3.18Å; P282-H332 VanDerWaalsContact CD-CD2 3.42Å; P282-H332 WeakPolarHBondContact CD-CD2 3.42Å; P282-H332 WeakPolarHBondContact CD-NE2 3.28Å; V328-H332 PolarHBondContact O-CD2 3.32Å; V328-H332 VanDerWaalsContact O-CD2 3.29Å; V328-H332 PolarHBondContact O-N 2.72Å; L329-H332 WeakPolarHBondContact O-CB 3.39Å; L329-H332 PolarHBondContact O-N 2.9Å; H332-T334 VanDerWaalsContact C-N 3.31Å; H332-T334 PolarHBondContact O-N 3.36Å; H332-H335 PolarHBondContact O-N 2.76Å; H332-L336 VanDerWaalsContact O-CB 3.32Å; H332-L336 WeakPolarHBondContact O-CB 3.48Å; H332-L336 PolarHBondContact O-N 3.24Å
333	L	94.2	Very high	92.5	Very high	5 Å²	5	35 Å²	35	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-33.8	-178.9	-62.5	174.5	0	0	0	111.9	L237 F241 F266 L323 L329 Q330 D331 Y337	L237-L333 HydrophobicContact CD2-CB 4.43Å; L237-L333 HydrophobicContact CD2-CD1 3.79Å; F241-L333 HydrophobicContact CE2-CD1 4.09Å; F241-L333 HydrophobicContact CE2-CD2 3.95Å; F241-L333 HydrophobicContact CZ-CD1 4.27Å; F241-L333 HydrophobicContact CZ-CD2 3.7Å; F266-L333 HydrophobicContact CB-CD2 4.1Å; F266-L333 HydrophobicContact CD1-CD2 3.93Å; F266-L333 HydrophobicContact CG-CD2 4.46Å; L323-L333 HydrophobicContact CD2-CD1 3.71Å; L329-L333 HydrophobicContact CD1-CD1 4.1Å; L329-L333 HydrophobicContact CD1-CD2 4.45Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CG-CD1 4.01Å; L329-L333 HydrophobicContact CG-CG 4.42Å; L329-L333 VanDerWaalsContact O-CG 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.35Å; L329-L333 PolarHBondContact O-N 2.92Å; Q330-L333 PolarHBondContact O-N 3.39Å; D331-L333 VanDerWaalsContact C-N 3.32Å; D331-L333 PolarHBondContact O-N 3.03Å; L333-Y337 VanDerWaalsContact O-CB 3.28Å; L333-Y337 WeakPolarHBondContact O-CB 3.38Å; L333-Y337 PolarHBondContact O-N 3.45Å
334	T	93.6	Very high	91.9	Very high	25 Å²	25	40 Å²	40	15%	0.153	27%	0.265	C	S	.	.	H	α-helix	trans	-68.2	-44.1	174.7	-59.1	0	0	0	0	111.4	C222 Q330 D331 H332 Y337 C338 L345	C222-T334 HydrophobicContact CB-CG2 4.22Å; Q330-T334 WeakPolarHBondContact O-CB 3.46Å; Q330-T334 PolarHBondContact O-N 3.03Å; Q330-T334 PolarHBondContact O-OG1 3.34Å; D331-T334 PolarHBondContact O-N 3.18Å; H332-T334 VanDerWaalsContact C-N 3.31Å; H332-T334 PolarHBondContact O-N 3.36Å; T334-Y337 WeakPolarHBondContact O-CB 3.29Å; T334-Y337 PolarHBondContact O-N 2.97Å; T334-C338 PolarHBondContact O-N 3.09Å; T334-L345 HydrophobicContact CG2-CD1 3.92Å
335	H	92.2	Very high	91	Very high	41 Å²	41	37.8 Å²	37.8	19%	0.19	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-43.1	176.2	-73.5	79.2	0	0	0	111.8	V269 D331 H332 Y337 C338 A339	V269-H335 HydrophobicContact CG1-CB 3.92Å; D331-H335 PolarHBondContact O-N 3.39Å; D331-H335 PolarHBondContact O-ND1 3.26Å; H332-H335 PolarHBondContact O-N 2.76Å; H335-Y337 VanDerWaalsContact C-N 3.3Å; H335-Y337 PolarHBondContact O-N 3.29Å; H335-C338 PolarHBondContact O-N 3.02Å; H335-A339 WeakPolarHBondContact O-CB 3.34Å; H335-A339 PolarHBondContact O-N 3.16Å
336	L	94.6	Very high	89.6	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-45.4	173.3	177.2	72.7	0	0	0	111.1	F43 L47 F266 V269 H332 A339 S340	F43-L336 HydrophobicContact CE2-CD2 4.37Å; F43-L336 HydrophobicContact CE2-CG 4.27Å; F43-L336 HydrophobicContact CZ-CD2 4.13Å; F43-L336 HydrophobicContact CZ-CG 4.49Å; L47-L336 HydrophobicContact CD2-CD2 4.25Å; F266-L336 HydrophobicContact CB-CD2 4.35Å; F266-L336 HydrophobicContact CD1-CD2 3.92Å; F266-L336 HydrophobicContact CG-CD2 4.5Å; V269-L336 HydrophobicContact CG2-CD1 3.95Å; H332-L336 VanDerWaalsContact O-CB 3.32Å; H332-L336 WeakPolarHBondContact O-CB 3.48Å; H332-L336 PolarHBondContact O-N 3.24Å; L336-A339 PolarHBondContact O-N 3.21Å; L336-S340 WeakPolarHBondContact O-CB 3.32Å; L336-S340 PolarHBondContact O-N 3.09Å
337	Y	96.3	Very high	87.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-55.5	178.1	-176.6	-90.5	0	0	0	110.6	A39 H40 F43 L218 T221 C222 P223 L333 T334 H335 A339 S340 F341	A39-Y337 WeakPolarHBondContact CB-OH 3.49Å; H40-Y337 PolarHBondContact CD2-OH 2.95Å; F43-Y337 HydrophobicContact CB-CD2 3.94Å; F43-Y337 HydrophobicContact CB-CE2 3.65Å; F43-Y337 AromaticContact CD1-CD2 3.86Å; F43-Y337 HydrophobicContact CD1-CD2 3.86Å; F43-Y337 HydrophobicContact CD1-CE2 4.2Å; F43-Y337 AromaticContact CD2-CD2 3.56Å; F43-Y337 HydrophobicContact CD2-CD2 3.56Å; F43-Y337 HydrophobicContact CD2-CE2 4.18Å; F43-Y337 HydrophobicContact CD2-CG 4.31Å; F43-Y337 HydrophobicContact CE1-CD2 4.17Å; F43-Y337 AromaticContact CE2-CD2 3.94Å; F43-Y337 HydrophobicContact CE2-CD2 3.94Å; F43-Y337 HydrophobicContact CE2-CG 4.47Å; F43-Y337 AromaticContact CG-CD2 3.5Å; F43-Y337 HydrophobicContact CG-CD2 3.5Å; F43-Y337 VanDerWaalsContact CG-CD2 3.5Å; F43-Y337 AromaticContact CG-CE2 3.75Å; F43-Y337 HydrophobicContact CG-CE2 3.75Å; F43-Y337 HydrophobicContact CZ-CD2 4.21Å; L218-Y337 HydrophobicContact CD1-CE1 4.01Å; L218-Y337 HydrophobicContact CG-CE1 4.37Å; T221-Y337 WeakPolarHBondContact CB-OH 3.45Å; T221-Y337 PolarHBondContact O-OH 2.8Å; T221-Y337 WeakPolarHBondContact OG1-CE1 3.43Å; T221-Y337 PolarHBondContact OG1-OH 2.77Å; C222-Y337 HydrophobicContact CB-CD1 4.45Å; C222-Y337 VanDerWaalsContact SG-CD1 3.52Å; P223-Y337 HydrophobicContact CG-CD2 4.4Å; L333-Y337 VanDerWaalsContact O-CB 3.28Å; L333-Y337 WeakPolarHBondContact O-CB 3.38Å; L333-Y337 PolarHBondContact O-N 3.45Å; T334-Y337 WeakPolarHBondContact O-CB 3.29Å; T334-Y337 PolarHBondContact O-N 2.97Å; H335-Y337 VanDerWaalsContact C-N 3.3Å; H335-Y337 PolarHBondContact O-N 3.29Å; Y337-A339 PolarHBondContact O-N 3.44Å; Y337-S340 WeakPolarHBondContact O-CB 3.29Å; Y337-S340 PolarHBondContact O-N 3.46Å; Y337-S340 PolarHBondContact O-OG 3.12Å; Y337-F341 HydrophobicContact CD1-CE2 4.47Å; Y337-F341 HydrophobicContact CE1-CD2 4.47Å; Y337-F341 HydrophobicContact CE1-CE2 4.06Å; Y337-F341 HydrophobicContact CE2-CE2 4.09Å; Y337-F341 AromaticContact CZ-CE2 3.86Å; Y337-F341 VanDerWaalsContact O-CD2 3.26Å; Y337-F341 WeakPolarHBondContact O-CD2 3.45Å
338	C	94.8	Very high	84.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-45.7	178.6	-69	0	0	0	0	113	L218 T334 H335 S340 F341 G342 I343 L345	L218-C338 HydrophobicContact CD2-CB 4.46Å; T334-C338 PolarHBondContact O-N 3.09Å; H335-C338 PolarHBondContact O-N 3.02Å; C338-S340 PolarHBondContact O-N 3.5Å; C338-F341 PolarHBondContact O-N 3.27Å; C338-G342 PolarHBondContact O-N 3.24Å; C338-I343 CarbonylContact C-O 3.59Å; C338-I343 VanDerWaalsContact CB-O 3.31Å; C338-I343 WeakPolarHBondContact CB-O 3.41Å; C338-I343 PolarHBondContact O-N 3.48Å; C338-I343 VanDerWaalsContact O-N 3.12Å; C338-L345 HydrophobicContact CB-CD1 4.18Å; C338-L345 HydrophobicContact CB-CG 4.01Å
339	A	93.8	Very high	82.5	Confident	39 Å²	39	51 Å²	51	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-33.7	179.2	0	0	0	0	0	111.8	V269 H335 L336 Y337 F341 G342 I343	V269-A339 HydrophobicContact CG1-CB 4.14Å; V269-A339 HydrophobicContact CG2-CB 3.88Å; H335-A339 WeakPolarHBondContact O-CB 3.34Å; H335-A339 PolarHBondContact O-N 3.16Å; L336-A339 PolarHBondContact O-N 3.21Å; Y337-A339 PolarHBondContact O-N 3.44Å; A339-F341 PolarHBondContact O-N 3.18Å; A339-F341 VanDerWaalsContact O-N 3.15Å; A339-G342 PolarHBondContact O-N 3.3Å; A339-I343 PolarHBondContact N-O 2.73Å
340	S	94.9	Very high	79.8	Confident	32 Å²	32	56.4 Å²	56.4	22%	0.224	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-24.4	175.9	83.6	0	0	0	0	112.7	F43 K46 L336 Y337 C338	F43-S340 WeakPolarHBondContact CD2-OG 3.31Å; K46-S340 WeakPolarHBondContact CD-O 3.41Å; K46-S340 WeakPolarHBondContact CE-O 3.31Å; K46-S340 PolarHBondContact NZ-O 3.35Å; L336-S340 WeakPolarHBondContact O-CB 3.32Å; L336-S340 PolarHBondContact O-N 3.09Å; Y337-S340 WeakPolarHBondContact O-CB 3.29Å; Y337-S340 PolarHBondContact O-N 3.46Å; Y337-S340 PolarHBondContact O-OG 3.12Å; C338-S340 PolarHBondContact O-N 3.5Å
341	F	95.3	Very high	77	Confident	26 Å²	26	60.2 Å²	60.2	11%	0.114	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	6	174.2	-66	-92.8	0	0	0	113.4	A39 T42 F43 L98 L212 L218 Y337 C338 A339	A39-F341 HydrophobicContact CB-CZ 4.38Å; A39-F341 WeakPolarHBondContact O-CZ 3.28Å; T42-F341 HydrophobicContact CG2-CE1 3.64Å; T42-F341 HydrophobicContact CG2-CZ 3.97Å; F43-F341 HydrophobicContact CB-CE2 4.22Å; F43-F341 HydrophobicContact CB-CZ 4.38Å; L98-F341 HydrophobicContact CD1-CD1 4.03Å; L98-F341 HydrophobicContact CD1-CE1 4Å; L212-F341 HydrophobicContact CB-CD1 4.47Å; L212-F341 HydrophobicContact CD1-CE1 4.19Å; L218-F341 HydrophobicContact CD1-CB 4.15Å; L218-F341 HydrophobicContact CD1-CD1 4.03Å; L218-F341 HydrophobicContact CD1-CD2 3.61Å; L218-F341 HydrophobicContact CD1-CE1 4.35Å; L218-F341 HydrophobicContact CD1-CE2 3.97Å; L218-F341 HydrophobicContact CD1-CG 3.67Å; L218-F341 HydrophobicContact CD1-CZ 4.33Å; L218-F341 HydrophobicContact CD2-CB 3.52Å; L218-F341 HydrophobicContact CD2-CD2 4.03Å; L218-F341 HydrophobicContact CD2-CG 3.94Å; L218-F341 HydrophobicContact CG-CD2 4.4Å; L218-F341 HydrophobicContact CG-CG 4.48Å; Y337-F341 HydrophobicContact CD1-CE2 4.47Å; Y337-F341 HydrophobicContact CE1-CD2 4.47Å; Y337-F341 HydrophobicContact CE1-CE2 4.06Å; Y337-F341 HydrophobicContact CE2-CE2 4.09Å; Y337-F341 AromaticContact CZ-CE2 3.86Å; Y337-F341 VanDerWaalsContact O-CD2 3.26Å; Y337-F341 WeakPolarHBondContact O-CD2 3.45Å; C338-F341 PolarHBondContact O-N 3.27Å; A339-F341 PolarHBondContact O-N 3.18Å; A339-F341 VanDerWaalsContact O-N 3.15Å
342	G	91	Very high	74.3	Confident	69 Å²	69	62.9 Å²	62.9	71%	0.711	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	18.5	-179.2	0	0	0	0	0	114.3	C338 A339	C338-G342 PolarHBondContact O-N 3.24Å; A339-G342 PolarHBondContact O-N 3.3Å
343	I	86.4	Confident	71.3	Confident	22 Å²	22	68 Å²	68	11%	0.113	41%	0.405	C	S	.	.			trans	-108.8	123.3	178.5	-54.6	-165.5	0	0	0	109.4	P215 L218 C338 A339	P215-I343 HydrophobicContact CB-CD1 4.29Å; P215-I343 HydrophobicContact CB-CG2 4Å; P215-I343 HydrophobicContact CG-CD1 4.15Å; P215-I343 HydrophobicContact CG-CG2 4.29Å; L218-I343 HydrophobicContact CB-CD1 4Å; L218-I343 HydrophobicContact CD2-CB 3.92Å; L218-I343 HydrophobicContact CD2-CD1 3.48Å; L218-I343 VanDerWaalsContact CD2-CD1 3.48Å; L218-I343 HydrophobicContact CD2-CG1 3.76Å; L218-I343 HydrophobicContact CG-CD1 4.37Å; C338-I343 CarbonylContact C-O 3.59Å; C338-I343 VanDerWaalsContact CB-O 3.31Å; C338-I343 WeakPolarHBondContact CB-O 3.41Å; C338-I343 PolarHBondContact O-N 3.48Å; C338-I343 VanDerWaalsContact O-N 3.12Å; A339-I343 PolarHBondContact N-O 2.73Å
344	S	80.9	Confident	68.4	Low	108 Å²	108	73.7 Å²	73.7	76%	0.755	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-93.1	128.5	173	-60.8	0	0	0	0	110.1
345	L	74.6	Confident	65.3	Low	42 Å²	42	75.8 Å²	75.8	22%	0.22	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-81.6	125.2	172.3	-66.3	170.8	0	0	0	109.3	Q219 T334 C338	Q219-L345 HydrophobicContact CG-CD2 4.39Å; T334-L345 HydrophobicContact CG2-CD1 3.92Å; C338-L345 HydrophobicContact CB-CD1 4.18Å; C338-L345 HydrophobicContact CB-CG 4.01Å
346	T	60.6	Low	62.2	Low	104 Å²	104	78.6 Å²	78.6	64%	0.638	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-103.8	147.6	164.4	50.2	0	0	0	0	109.3	E348	T346-E348 PolarHBondContact O-N 3.44Å
347	K	48.1	Very low	59.1	Low	149 Å²	149	84.3 Å²	84.3	65%	0.648	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-5.2	-172.2	-111.6	177.6	-179.2	173.1	0	116.2	D273	D273-K347 VanDerWaalsContact CG-NZ 3.31Å; D273-K347 IonicContact OD1-NZ 3.24Å; D273-K347 PolarHBondContact OD1-NZ 3.25Å; D273-K347 IonicContact OD2-NZ 3.53Å; D273-K347 PolarHBondContact OD2-NZ 3.29Å
348	E	35.3	Very low	56	Low	181 Å²	181	89.6 Å²	89.6	85%	0.846	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	13.4	-169.2	-70.4	-167.8	161.3	0	0	115.8	T346	T346-E348 PolarHBondContact O-N 3.44Å
349	Q	41.1	Very low	53.1	Low	91 Å²	91	102.5 Å²	102.5	43%	0.425	63%	0.627	S	S	.	*	S	Bend	trans	-104.8	118.9	170.2	-72.9	-177	-18	0	0	110	V351	Q349-V351 PolarHBondContact O-N 2.92Å; Q349-V351 VanDerWaalsContact O-N 3.13Å
350	P	33.3	Very low	51	Low	114 Å²	114	105.7 Å²	105.7	74%	0.74	64%	0.642	S	S	*	*			trans	-64.2	121.1	-167.4	24.2	-31.1	0	0	0	109.6	V352	P350-V352 PolarHBondContact O-N 3.09Å
351	V	34.8	Very low	48.7	Very low	128 Å²	128	109.6 Å²	109.6	78%	0.776	66%	0.664	S	S	*	*			trans	-52	110.9	153.2	178.4	0	0	0	0	105.3	Q349 S353	Q349-V351 PolarHBondContact O-N 2.92Å; Q349-V351 VanDerWaalsContact O-N 3.13Å; V351-S353 VanDerWaalsContact C-N 3.26Å; V351-S353 PolarHBondContact O-N 3.23Å
352	V	33.1	Very low	46.1	Very low	129 Å²	129	114.2 Å²	114.2	78%	0.782	70%	0.695	S	S	*	*			trans	-62.9	99	170.3	176	0	0	0	0	105.5	P350 T354	P350-V352 PolarHBondContact O-N 3.09Å; V352-T354 PolarHBondContact O-N 3.16Å
353	S	28	Very low	43.5	Very low	107 Å²	107	116.9 Å²	116.9	75%	0.748	69%	0.694	S	S	*	*			trans	-52.8	110.7	177.4	-63.7	0	0	0	0	109.1	V351 G355	V351-S353 VanDerWaalsContact C-N 3.26Å; V351-S353 PolarHBondContact O-N 3.23Å; S353-G355 VanDerWaalsContact C-N 3.27Å; S353-G355 PolarHBondContact O-N 3.28Å
354	T	34.2	Very low	40.8	Very low	125 Å²	125	122.8 Å²	122.8	77%	0.767	73%	0.73	S	S	*	*			trans	-69	92.2	162.4	50	0	0	0	0	107.2	V352 S356	V352-T354 PolarHBondContact O-N 3.16Å; T354-S356 PolarHBondContact O-N 2.99Å
355	G	27.2	Very low	38.1	Very low	70 Å²	70	123.8 Å²	123.8	72%	0.722	73%	0.729	S	S	*	*			trans	-65.7	110.3	164.9	0	0	0	0	0	108.7	S353	S353-G355 VanDerWaalsContact C-N 3.27Å; S353-G355 PolarHBondContact O-N 3.28Å
356	S	27.4	Very low	35.5	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	77%	0.765	S	S	*	*			trans	-58.2	130.3	164.3	-54.1	0	0	0	0	109	T354 S358	T354-S356 PolarHBondContact O-N 2.99Å; S356-S358 PolarHBondContact O-N 3.33Å; S356-S358 VanDerWaalsContact O-N 3.13Å
357	P	30.9	Very low	33.6	Very low	133 Å²	133	131.6 Å²	131.6	86%	0.864	78%	0.775	S	S	*	*			trans	-68	116.8	169.5	26.6	-28.3	0	0	0	107.9	Q359	P357-Q359 PolarHBondContact O-N 3.1Å
358	S	30.8	Very low	32.4	Very low	112 Å²	112	130.2 Å²	130.2	78%	0.783	79%	0.785	S	S	*	*			trans	-82.9	110.6	170.1	-51.5	0	0	0	0	107.5	S356	S356-S358 PolarHBondContact O-N 3.33Å; S356-S358 VanDerWaalsContact O-N 3.13Å
359	Q	32.6	Very low	32.1	Very low	272 Å²	272	125.5 Å²	125.5	100%	1.271	78%	0.78	S	S	*	*			trans	57.8	0	167.1	-69.2	-173.7	-8.7	0	0	119.2	P357	P357-Q359 PolarHBondContact O-N 3.1Å

Retrieved 359 of 359 residues in 489.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).