A0A3B3U7V1_9TELE Loading...

Thromboxane-A synthase

Catalyzes the conversion of prostaglandin H2 (PGH2) to thromboxane A2 (TXA2), a potent inducer of blood vessel constriction and platelet aggregation. Also cleaves PGH2 to 12-hydroxy-heptadecatrienoicacid (12-HHT) and malondialdehyde, which is known to act as a mediator of DNA damage. 12-HHT and malondialdehyde are formed stoichiometrically in the same amounts as TXA2. Additionally, displays dehydratase activity, toward (15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoate (15(S)-HPETE) producing 15-KETE and 15-HETE.

AlphaFold DB , UniProt , Accession A0A3B3U7V1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 564 aa.

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(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	47.1	Very low	51	Low	228 Å²	228	125.2 Å²	125.2	100%	1.123	70%	0.699	S	S	*	*				0	-18.1	0	-86.6	172.1	66.4	0	0	112.6
2	E	43.5	Very low	50.9	Low	176 Å²	176	128.3 Å²	128.3	82%	0.822	71%	0.714	S	S	*	*			trans	-76.8	-36.1	178.2	-76	165.3	144.3	0	0	114.3	A4 G5	E2-A4 PolarHBondContact O-N 3.06Å; E2-A4 VanDerWaalsContact O-N 3.11Å; E2-G5 PolarHBondContact O-N 2.98Å
3	A	49	Very low	51.2	Low	91 Å²	91	127.9 Å²	127.9	75%	0.752	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-14.7	-179.8	0	0	0	0	0	115
4	A	51	Low	51.5	Low	66 Å²	66	132.6 Å²	132.6	55%	0.545	72%	0.72	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.6	-19	174.8	0	0	0	0	0	112.7	E2	E2-A4 PolarHBondContact O-N 3.06Å; E2-A4 VanDerWaalsContact O-N 3.11Å
5	G	49.8	Very low	52.2	Low	36 Å²	36	127.9 Å²	127.9	37%	0.371	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	-37.8	178.3	0	0	0	0	0	112.5	E2 L7 L8	E2-G5 PolarHBondContact O-N 2.98Å; G5-L7 PolarHBondContact O-N 2.9Å; G5-L8 PolarHBondContact O-N 3.16Å
6	D	52.2	Low	53.9	Low	123 Å²	123	123.8 Å²	123.8	66%	0.658	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-24.9	-176.8	-77.6	-23.2	0	0	0	114	L8	D6-L8 VanDerWaalsContact C-N 3.31Å; D6-L8 PolarHBondContact O-N 2.92Å
7	L	52.7	Low	55.5	Low	136 Å²	136	129.6 Å²	129.6	71%	0.712	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-22.3	177.2	-138	107.7	0	0	0	112.7	G5	G5-L7 PolarHBondContact O-N 2.9Å
8	L	51	Low	57.2	Low	130 Å²	130	127.5 Å²	127.5	68%	0.681	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-22.9	-178.8	-76.8	164.8	0	0	0	113	G5 D6 V10	G5-L8 PolarHBondContact O-N 3.16Å; D6-L8 VanDerWaalsContact C-N 3.31Å; D6-L8 PolarHBondContact O-N 2.92Å; L8-V10 VanDerWaalsContact C-N 3.29Å; L8-V10 PolarHBondContact O-N 3.42Å
9	N	52.4	Low	58.8	Low	126 Å²	126	123.7 Å²	123.7	67%	0.674	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-16.8	178.2	-80.1	-24.4	0	0	0	113.9	F11	N9-F11 VanDerWaalsContact C-N 3.28Å; N9-F11 PolarHBondContact O-N 2.99Å
10	V	57.8	Low	60.4	Low	114 Å²	114	121.2 Å²	121.2	69%	0.691	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-19.3	178.7	178.6	0	0	0	0	112.4	L8	L8-V10 VanDerWaalsContact C-N 3.29Å; L8-V10 PolarHBondContact O-N 3.42Å
11	F	54	Low	61.9	Low	151 Å²	151	119.8 Å²	119.8	66%	0.662	66%	0.656	S	S	*	*	S	Bend	trans	-109.9	0	-171.5	-77.7	-75	0	0	0	116.4	N9 M13	N9-F11 VanDerWaalsContact C-N 3.28Å; N9-F11 PolarHBondContact O-N 2.99Å; F11-M13 WeakPolarHBondContact O-CG 3.36Å; F11-M13 PolarHBondContact O-N 3.13Å
12	N	50.9	Low	64.1	Low	163 Å²	163	113 Å²	113	87%	0.872	63%	0.627	S	S	*	*			trans	38.1	40.2	172.7	-133.2	17.6	0	0	0	115.1
13	M	54	Low	66.6	Low	123 Å²	123	106 Å²	106	61%	0.606	60%	0.602	S	S	*	*			trans	-104.5	116.6	175.9	-82.1	170.2	61.6	0	0	106.9	F11 A15 T19	F11-M13 WeakPolarHBondContact O-CG 3.36Å; F11-M13 PolarHBondContact O-N 3.13Å; M13-A15 VanDerWaalsContact C-N 3.27Å; M13-A15 PolarHBondContact O-N 2.88Å; M13-T19 HydrophobicContact CE-CG2 3.36Å
14	E	55.8	Low	68.8	Low	194 Å²	194	107 Å²	107	91%	0.907	59%	0.594	S	S	*	*			trans	-58.2	99.9	160.1	-80.2	-174.5	158.5	0	0	107	S16	E14-S16 PolarHBondContact O-N 3.48Å
15	A	61.3	Low	70.9	Confident	62 Å²	62	109.5 Å²	109.5	51%	0.512	59%	0.593	S	S	.	*			trans	-71.4	83.8	-175.9	0	0	0	0	0	108.8	M13 V20	M13-A15 VanDerWaalsContact C-N 3.27Å; M13-A15 PolarHBondContact O-N 2.88Å; A15-V20 HydrophobicContact CB-CG2 3.84Å
16	S	80	Confident	73.1	Confident	62 Å²	62	112.4 Å²	112.4	43%	0.434	60%	0.599	S	S	.	*			trans	-56.3	147.5	168.3	-174.8	0	0	0	0	109	E14 T18 T19 V20	E14-S16 PolarHBondContact O-N 3.48Å; S16-T18 WeakPolarHBondContact CB-OG1 3.49Å; S16-T18 PolarHBondContact O-N 3.09Å; S16-T18 PolarHBondContact OG-OG1 2.85Å; S16-T19 WeakPolarHBondContact O-CB 3.41Å; S16-T19 PolarHBondContact O-N 2.82Å; S16-V20 PolarHBondContact O-N 3.13Å; S16-V20 VanDerWaalsContact O-N 3.14Å
17	R	80.4	Confident	75.3	Confident	223 Å²	223	111.3 Å²	111.3	84%	0.842	59%	0.592	S	S	*	*	H	α-helix	trans	-50.5	-32.6	177.5	-71	-177.2	179.6	-179.5	0.5	111.7	T21	R17-T21 WeakPolarHBondContact O-CB 3.23Å; R17-T21 PolarHBondContact O-N 3.49Å; R17-T21 PolarHBondContact O-OG1 2.87Å
18	T	86	Confident	77.4	Confident	91 Å²	91	110.3 Å²	110.3	56%	0.558	58%	0.583	S	S	*	*	H	α-helix	trans	-64.9	-48.7	175.8	50.9	0	0	0	0	112.1	S16 V20 T21 V22	S16-T18 WeakPolarHBondContact CB-OG1 3.49Å; S16-T18 PolarHBondContact O-N 3.09Å; S16-T18 PolarHBondContact OG-OG1 2.85Å; T18-V20 PolarHBondContact O-N 3.23Å; T18-T21 PolarHBondContact O-N 2.77Å; T18-V22 WeakPolarHBondContact O-CG2 3.38Å; T18-V22 PolarHBondContact O-N 3.2Å
19	T	88.1	Confident	79.5	Confident	56 Å²	56	107.6 Å²	107.6	34%	0.344	57%	0.569	S	S	.	*	H	α-helix	trans	-59.8	-43.7	177.8	-50.6	0	0	0	0	112.1	M13 S16 G23	M13-T19 HydrophobicContact CE-CG2 3.36Å; S16-T19 WeakPolarHBondContact O-CB 3.41Å; S16-T19 PolarHBondContact O-N 2.82Å; T19-G23 PolarHBondContact O-N 3.19Å
20	V	91	Very high	81.6	Confident	72 Å²	72	105.8 Å²	105.8	44%	0.436	57%	0.565	S	S	.	*	H	α-helix	trans	-64.6	-43.8	176.1	179.7	0	0	0	0	111	A15 S16 T18 G23 L24	A15-V20 HydrophobicContact CB-CG2 3.84Å; S16-V20 PolarHBondContact O-N 3.13Å; S16-V20 VanDerWaalsContact O-N 3.14Å; T18-V20 PolarHBondContact O-N 3.23Å; V20-G23 PolarHBondContact O-N 3.42Å; V20-L24 HydrophobicContact CG1-CD1 4.1Å; V20-L24 HydrophobicContact CG1-CG 4.43Å; V20-L24 WeakPolarHBondContact O-CG 3.47Å; V20-L24 PolarHBondContact O-N 2.72Å
21	T	91.9	Very high	83.5	Confident	93 Å²	93	105 Å²	105	57%	0.571	56%	0.556	S	S	*	*	H	α-helix	trans	-62.9	-44.8	179.5	-57.3	0	0	0	0	111.6	R17 T18 L24 F25	R17-T21 WeakPolarHBondContact O-CB 3.23Å; R17-T21 PolarHBondContact O-N 3.49Å; R17-T21 PolarHBondContact O-OG1 2.87Å; T18-T21 PolarHBondContact O-N 2.77Å; T21-L24 PolarHBondContact O-N 3.44Å; T21-F25 WeakPolarHBondContact O-CB 3.44Å; T21-F25 PolarHBondContact O-N 3.29Å
22	V	94.2	Very high	85.4	Confident	84 Å²	84	100.2 Å²	100.2	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-63.8	-43.9	176.6	172.5	0	0	0	0	110.7	T18 F25 L26	T18-V22 WeakPolarHBondContact O-CG2 3.38Å; T18-V22 PolarHBondContact O-N 3.2Å; V22-F25 PolarHBondContact O-N 3.11Å; V22-L26 HydrophobicContact CG1-CD1 4.11Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 WeakPolarHBondContact O-CG 3.44Å; V22-L26 PolarHBondContact O-N 2.87Å
23	G	94.7	Very high	87.6	Confident	30 Å²	30	99.7 Å²	99.7	31%	0.309	52%	0.524	S	S	.	.	H	α-helix	trans	-58.8	-48.8	176.7	0	0	0	0	0	112.9	T19 V20 F25 L26 I27	T19-G23 PolarHBondContact O-N 3.19Å; V20-G23 PolarHBondContact O-N 3.42Å; G23-F25 VanDerWaalsContact C-N 3.33Å; G23-F25 PolarHBondContact O-N 2.72Å; G23-L26 PolarHBondContact O-N 2.61Å; G23-I27 WeakPolarHBondContact O-CG1 3.47Å; G23-I27 PolarHBondContact O-N 3.15Å
24	L	95.4	Very high	89.5	Confident	111 Å²	111	102 Å²	102	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-62.3	-39.1	176.9	-70.9	175.3	0	0	0	112.4	V20 T21 I27 F28	V20-L24 HydrophobicContact CG1-CD1 4.1Å; V20-L24 HydrophobicContact CG1-CG 4.43Å; V20-L24 WeakPolarHBondContact O-CG 3.47Å; V20-L24 PolarHBondContact O-N 2.72Å; T21-L24 PolarHBondContact O-N 3.44Å; L24-I27 PolarHBondContact O-N 2.94Å; L24-F28 WeakPolarHBondContact O-CB 3.28Å; L24-F28 PolarHBondContact O-N 2.83Å
25	F	95.5	Very high	91.4	Very high	119 Å²	119	95.7 Å²	95.7	52%	0.522	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-42.8	176.7	-179.2	-110.2	0	0	0	112.2	T21 V22 G23 F28 L29	T21-F25 WeakPolarHBondContact O-CB 3.44Å; T21-F25 PolarHBondContact O-N 3.29Å; V22-F25 PolarHBondContact O-N 3.11Å; G23-F25 VanDerWaalsContact C-N 3.33Å; G23-F25 PolarHBondContact O-N 2.72Å; F25-F28 WeakPolarHBondContact O-CB 3.19Å; F25-F28 PolarHBondContact O-N 3.03Å; F25-L29 HydrophobicContact CD1-CD1 4.05Å; F25-L29 HydrophobicContact CD1-CG 4.49Å; F25-L29 HydrophobicContact CE1-CD1 3.51Å; F25-L29 HydrophobicContact CE1-CG 4.14Å; F25-L29 HydrophobicContact CE2-CD2 4.43Å; F25-L29 HydrophobicContact CE2-CG 4.4Å; F25-L29 HydrophobicContact CZ-CD1 3.82Å; F25-L29 HydrophobicContact CZ-CD2 4.17Å; F25-L29 HydrophobicContact CZ-CG 4.09Å; F25-L29 WeakPolarHBondContact O-CG 3.47Å; F25-L29 PolarHBondContact O-N 3.26Å
26	L	96.8	Very high	93	Very high	97 Å²	97	92.9 Å²	92.9	51%	0.508	47%	0.471	S	S	.	.	H	α-helix	trans	-64.4	-42.7	175.5	-69.5	175.5	0	0	0	111.9	V22 G23 F28 L29 C30	V22-L26 HydrophobicContact CG1-CD1 4.11Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 WeakPolarHBondContact O-CG 3.44Å; V22-L26 PolarHBondContact O-N 2.87Å; G23-L26 PolarHBondContact O-N 2.61Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 2.83Å; L26-L29 PolarHBondContact O-N 2.67Å; L26-C30 PolarHBondContact O-N 3.03Å; L26-C30 PolarHBondContact O-SG 2.93Å; L26-C30 VanDerWaalsContact O-SG 3.4Å
27	I	97.1	Very high	93.7	Very high	100 Å²	100	91.9 Å²	91.9	51%	0.513	46%	0.462	S	S	.	.	H	α-helix	trans	-58.9	-45.2	173.7	-68.8	167.1	0	0	0	110.2	G23 L24 L29 C30 L31	G23-I27 WeakPolarHBondContact O-CG1 3.47Å; G23-I27 PolarHBondContact O-N 3.15Å; L24-I27 PolarHBondContact O-N 2.94Å; I27-L29 PolarHBondContact O-N 3.26Å; I27-C30 PolarHBondContact O-N 2.84Å; I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 HydrophobicContact CG2-CG 4.29Å; I27-L31 WeakPolarHBondContact O-CB 3.19Å; I27-L31 WeakPolarHBondContact O-CG 3.36Å; I27-L31 PolarHBondContact O-N 3.28Å
28	F	96.3	Very high	94.3	Very high	115 Å²	115	88 Å²	88	50%	0.504	45%	0.449	S	S	.	.	H	α-helix	trans	-58.8	-45.7	175.9	170.3	-100	0	0	0	112	L24 F25 L26 C30 L31 L32	L24-F28 WeakPolarHBondContact O-CB 3.28Å; L24-F28 PolarHBondContact O-N 2.83Å; F25-F28 WeakPolarHBondContact O-CB 3.19Å; F25-F28 PolarHBondContact O-N 3.03Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 2.83Å; F28-C30 PolarHBondContact O-N 3.45Å; F28-L31 PolarHBondContact O-N 2.89Å; F28-L32 HydrophobicContact CE1-CD2 4.01Å; F28-L32 HydrophobicContact CZ-CD2 4.12Å; F28-L32 WeakPolarHBondContact O-CB 3.34Å; F28-L32 PolarHBondContact O-N 2.89Å
29	L	96.5	Very high	94.7	Very high	74 Å²	74	84.2 Å²	84.2	39%	0.387	43%	0.426	S	S	.	.	H	α-helix	trans	-62.6	-41.5	176.8	-70.3	-179.3	0	0	0	112.4	F25 L26 I27 L32 Y33	F25-L29 HydrophobicContact CD1-CD1 4.05Å; F25-L29 HydrophobicContact CD1-CG 4.49Å; F25-L29 HydrophobicContact CE1-CD1 3.51Å; F25-L29 HydrophobicContact CE1-CG 4.14Å; F25-L29 HydrophobicContact CE2-CD2 4.43Å; F25-L29 HydrophobicContact CE2-CG 4.4Å; F25-L29 HydrophobicContact CZ-CD1 3.82Å; F25-L29 HydrophobicContact CZ-CD2 4.17Å; F25-L29 HydrophobicContact CZ-CG 4.09Å; F25-L29 WeakPolarHBondContact O-CG 3.47Å; F25-L29 PolarHBondContact O-N 3.26Å; L26-L29 PolarHBondContact O-N 2.67Å; I27-L29 PolarHBondContact O-N 3.26Å; L29-L32 PolarHBondContact O-N 3.46Å; L29-Y33 WeakPolarHBondContact O-CB 3.18Å; L29-Y33 PolarHBondContact O-N 3.09Å
30	C	96.8	Very high	95	Very high	88 Å²	88	82.5 Å²	82.5	60%	0.595	41%	0.413	S	S	*	.	H	α-helix	trans	-62.7	-46.5	175.3	-73.5	0	0	0	0	111.8	L26 I27 F28 L32 Y33 W34	L26-C30 PolarHBondContact O-N 3.03Å; L26-C30 PolarHBondContact O-SG 2.93Å; L26-C30 VanDerWaalsContact O-SG 3.4Å; I27-C30 PolarHBondContact O-N 2.84Å; F28-C30 PolarHBondContact O-N 3.45Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-L32 PolarHBondContact O-N 3.03Å; C30-Y33 PolarHBondContact O-N 2.63Å; C30-W34 WeakPolarHBondContact O-CB 3.42Å; C30-W34 PolarHBondContact O-N 3.16Å
31	L	96.5	Very high	95.2	Very high	96 Å²	96	81 Å²	81	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-64.8	-38	176.3	-70.7	175.9	0	0	0	111.8	I27 F28 W34 Y35	I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 HydrophobicContact CG2-CG 4.29Å; I27-L31 WeakPolarHBondContact O-CB 3.19Å; I27-L31 WeakPolarHBondContact O-CG 3.36Å; I27-L31 PolarHBondContact O-N 3.28Å; F28-L31 PolarHBondContact O-N 2.89Å; L31-W34 HydrophobicContact CD2-CE3 4.18Å; L31-Y35 WeakPolarHBondContact O-CB 3.33Å; L31-Y35 PolarHBondContact O-N 2.83Å
32	L	95.1	Very high	95.5	Very high	51 Å²	51	78.8 Å²	78.8	27%	0.267	39%	0.392	S	S	.	.	H	α-helix	trans	-67.2	-44.4	177.6	-178	63.9	0	0	0	111.2	F28 L29 C30 Y35 S36 F56 F236	F28-L32 HydrophobicContact CE1-CD2 4.01Å; F28-L32 HydrophobicContact CZ-CD2 4.12Å; F28-L32 WeakPolarHBondContact O-CB 3.34Å; F28-L32 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 3.46Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-L32 PolarHBondContact O-N 3.03Å; L32-Y35 PolarHBondContact O-N 3.05Å; L32-S36 WeakPolarHBondContact O-CB 3.23Å; L32-S36 PolarHBondContact O-N 3.22Å; L32-F56 HydrophobicContact CD1-CE1 3.94Å; L32-F56 HydrophobicContact CD1-CZ 3.67Å; L32-F56 HydrophobicContact CG-CZ 3.91Å; L32-F236 HydrophobicContact CD1-CE1 4.15Å; L32-F236 HydrophobicContact CD1-CZ 4.29Å
33	Y	95.4	Very high	95.6	Very high	153 Å²	153	74.8 Å²	74.8	60%	0.6	37%	0.368	S	S	*	.	H	α-helix	trans	-63.2	-49.7	174.2	177.4	-105.2	0	0	0	110.8	L29 C30 Y35 S36 V37	L29-Y33 WeakPolarHBondContact O-CB 3.18Å; L29-Y33 PolarHBondContact O-N 3.09Å; C30-Y33 PolarHBondContact O-N 2.63Å; Y33-Y35 VanDerWaalsContact C-N 3.34Å; Y33-Y35 PolarHBondContact O-N 3.3Å; Y33-S36 WeakPolarHBondContact O-CA 3.46Å; Y33-S36 WeakPolarHBondContact O-CB 3.48Å; Y33-S36 PolarHBondContact O-N 3.06Å; Y33-S36 PolarHBondContact O-OG 3.21Å; Y33-V37 HydrophobicContact CE1-CG2 4.26Å; Y33-V37 HydrophobicContact CE2-CG1 4.06Å; Y33-V37 WeakPolarHBondContact O-CG2 3.49Å; Y33-V37 PolarHBondContact O-N 2.89Å
34	W	95.6	Very high	95.7	Very high	171 Å²	171	76.3 Å²	76.3	65%	0.648	38%	0.378	S	S	*	.	H	α-helix	trans	-56.4	-49.6	176.2	-179.7	15.3	0	0	0	110.8	C30 L31 S36 V37 Y38	C30-W34 WeakPolarHBondContact O-CB 3.42Å; C30-W34 PolarHBondContact O-N 3.16Å; L31-W34 HydrophobicContact CD2-CE3 4.18Å; W34-S36 PolarHBondContact O-N 3.08Å; W34-V37 PolarHBondContact O-N 3.39Å; W34-V37 VanDerWaalsContact O-N 3.12Å; W34-Y38 WeakPolarHBondContact O-CB 3.46Å; W34-Y38 PolarHBondContact O-N 3.32Å
35	Y	94.8	Very high	95.8	Very high	62 Å²	62	80.9 Å²	80.9	24%	0.243	39%	0.387	C	S	.	.	H	α-helix	trans	-51	-45.1	174.6	173.5	-95.6	0	0	0	111.4	L31 L32 Y33 V37 F56 R88 A235 F236	L31-Y35 WeakPolarHBondContact O-CB 3.33Å; L31-Y35 PolarHBondContact O-N 2.83Å; L32-Y35 PolarHBondContact O-N 3.05Å; Y33-Y35 VanDerWaalsContact C-N 3.34Å; Y33-Y35 PolarHBondContact O-N 3.3Å; Y35-V37 VanDerWaalsContact C-N 3.3Å; Y35-V37 PolarHBondContact O-N 3.34Å; Y35-F56 HydrophobicContact CD1-CD1 4.25Å; Y35-F56 AromaticContact CD1-CE1 3.79Å; Y35-F56 HydrophobicContact CD1-CE1 3.79Å; Y35-F56 HydrophobicContact CE1-CD1 4.22Å; Y35-F56 HydrophobicContact CE1-CE1 4.08Å; Y35-R88 VanDerWaalsContact O-CZ 3.26Å; Y35-R88 PolarHBondContact O-NH1 2.87Å; Y35-R88 PolarHBondContact O-NH2 3.32Å; Y35-A235 WeakPolarHBondContact CE1-O 3.45Å; Y35-A235 PolarHBondContact OH-O 3.08Å; Y35-F236 HydrophobicContact CD1-CE1 4.2Å; Y35-F236 AromaticContact CE1-CD1 3.66Å; Y35-F236 HydrophobicContact CE1-CD1 3.66Å; Y35-F236 AromaticContact CE1-CE1 3.73Å; Y35-F236 HydrophobicContact CE1-CE1 3.73Å
36	S	94.4	Very high	95.9	Very high	2 Å²	2	76.3 Å²	76.3	1%	0.014	37%	0.37	C	S	.	.	H	α-helix	trans	-65.6	-26	-176.4	81.7	0	0	0	0	114.7	L32 Y33 W34 F40 F56	L32-S36 WeakPolarHBondContact O-CB 3.23Å; L32-S36 PolarHBondContact O-N 3.22Å; Y33-S36 WeakPolarHBondContact O-CA 3.46Å; Y33-S36 WeakPolarHBondContact O-CB 3.48Å; Y33-S36 PolarHBondContact O-N 3.06Å; Y33-S36 PolarHBondContact O-OG 3.21Å; W34-S36 PolarHBondContact O-N 3.08Å; S36-F40 WeakPolarHBondContact O-CE2 3.45Å; S36-F56 VanDerWaalsContact CB-CZ 3.4Å; S36-F56 PolarHBondContact O-N 2.98Å
37	V	95.3	Very high	95.9	Very high	42 Å²	42	74.5 Å²	74.5	26%	0.255	38%	0.375	S	S	.	.	H	α-helix	trans	-116.3	-20.7	-174.5	-58.8	0	0	0	0	114.8	Y33 W34 Y35 P39 F40 P55	Y33-V37 HydrophobicContact CE1-CG2 4.26Å; Y33-V37 HydrophobicContact CE2-CG1 4.06Å; Y33-V37 WeakPolarHBondContact O-CG2 3.49Å; Y33-V37 PolarHBondContact O-N 2.89Å; W34-V37 PolarHBondContact O-N 3.39Å; W34-V37 VanDerWaalsContact O-N 3.12Å; Y35-V37 VanDerWaalsContact C-N 3.3Å; Y35-V37 PolarHBondContact O-N 3.34Å; V37-P39 VanDerWaalsContact C-N 3.32Å; V37-P39 VanDerWaalsContact O-N 3.13Å; V37-F40 HydrophobicContact CB-CD2 4.29Å; V37-F40 VanDerWaalsContact O-CB 3.29Å; V37-F40 WeakPolarHBondContact O-CB 3.32Å; V37-F40 PolarHBondContact O-N 3.39Å; V37-P55 HydrophobicContact CG1-CB 4.33Å; V37-P55 HydrophobicContact CG1-CG 4.16Å
38	Y	93.8	Very high	95.9	Very high	142 Å²	142	70 Å²	70	56%	0.557	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-51.8	-38.2	-173.7	116.2	-101.9	0	0	0	115.3	W34 F40	W34-Y38 WeakPolarHBondContact O-CB 3.46Å; W34-Y38 PolarHBondContact O-N 3.32Å; Y38-F40 PolarHBondContact O-N 3.46Å
39	P	92.6	Very high	96	Very high	11 Å²	11	71.3 Å²	71.3	7%	0.071	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-66.6	-17.7	-178.9	-21.1	34.3	0	0	0	113.8	V37 S41 V42 Y85 R88	V37-P39 VanDerWaalsContact C-N 3.32Å; V37-P39 VanDerWaalsContact O-N 3.13Å; P39-S41 VanDerWaalsContact C-N 3.27Å; P39-S41 PolarHBondContact O-N 2.65Å; P39-V42 WeakPolarHBondContact O-CG2 3.42Å; P39-V42 PolarHBondContact O-N 2.81Å; P39-Y85 VanDerWaalsContact O-CE1 3.26Å; P39-Y85 WeakPolarHBondContact O-CE1 3.24Å; P39-Y85 PolarHBondContact O-OH 2.87Å; P39-R88 HydrophobicContact CG-CB 4.21Å
40	F	96.1	Very high	96	Very high	20 Å²	20	69.6 Å²	69.6	9%	0.088	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-82	2.8	-165.5	-59.9	-26.6	0	0	0	115.4	S36 V37 Y38 P53 V54 Y85 G87	S36-F40 WeakPolarHBondContact O-CE2 3.45Å; V37-F40 HydrophobicContact CB-CD2 4.29Å; V37-F40 VanDerWaalsContact O-CB 3.29Å; V37-F40 WeakPolarHBondContact O-CB 3.32Å; V37-F40 PolarHBondContact O-N 3.39Å; Y38-F40 PolarHBondContact O-N 3.46Å; F40-P53 HydrophobicContact CB-CB 4.4Å; F40-P53 HydrophobicContact CB-CG 3.49Å; F40-P53 VanDerWaalsContact CB-CG 3.49Å; F40-P53 HydrophobicContact CD1-CB 4Å; F40-P53 HydrophobicContact CD1-CG 4Å; F40-P53 HydrophobicContact CD2-CB 3.74Å; F40-P53 HydrophobicContact CD2-CG 3.54Å; F40-P53 HydrophobicContact CE1-CB 4.2Å; F40-P53 HydrophobicContact CE2-CB 3.93Å; F40-P53 HydrophobicContact CE2-CG 4.25Å; F40-P53 HydrophobicContact CG-CB 3.79Å; F40-P53 HydrophobicContact CG-CG 3.4Å; F40-P53 HydrophobicContact CZ-CB 4.17Å; F40-V54 WeakPolarHBondContact CE2-O 3.26Å; F40-Y85 VanDerWaalsContact CA-CZ 3.49Å; F40-Y85 WeakPolarHBondContact CA-OH 3.37Å; F40-Y85 HydrophobicContact CB-CE2 4.32Å; F40-Y85 AromaticContact CD1-CD1 3.57Å; F40-Y85 HydrophobicContact CD1-CD1 3.57Å; F40-Y85 AromaticContact CD1-CD2 3.97Å; F40-Y85 HydrophobicContact CD1-CD2 3.97Å; F40-Y85 AromaticContact CD1-CE1 3.9Å; F40-Y85 HydrophobicContact CD1-CE1 3.9Å; F40-Y85 HydrophobicContact CD1-CE2 4.28Å; F40-Y85 AromaticContact CD1-CG 3.59Å; F40-Y85 HydrophobicContact CD1-CG 3.59Å; F40-Y85 HydrophobicContact CE1-CD1 4.01Å; F40-Y85 AromaticContact CE1-CG 3.96Å; F40-Y85 HydrophobicContact CE1-CG 3.96Å; F40-Y85 PolarHBondContact O-OH 2.75Å; F40-G87 WeakPolarHBondContact CE1-O 3.31Å
41	S	95.1	Very high	96.1	Very high	41 Å²	41	66.8 Å²	66.8	29%	0.287	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-90.9	-14.1	173.2	64.4	0	0	0	0	113.9	P39 L43 A44 R45	P39-S41 VanDerWaalsContact C-N 3.27Å; P39-S41 PolarHBondContact O-N 2.65Å; S41-L43 PolarHBondContact O-N 3.01Å; S41-A44 PolarHBondContact O-N 2.83Å; S41-R45 VanDerWaalsContact O-CG 3.3Å; S41-R45 WeakPolarHBondContact O-CG 3.32Å; S41-R45 PolarHBondContact O-N 3.24Å; S41-R45 PolarHBondContact OG-NE 3.4Å; S41-R45 PolarHBondContact OG-NH2 3.18Å
42	V	96.9	Very high	96	Very high	45 Å²	45	71.6 Å²	71.6	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-49.8	-171.2	173.6	0	0	0	0	112.4	P39 R45 C46 Y85 P90 P435	P39-V42 WeakPolarHBondContact O-CG2 3.42Å; P39-V42 PolarHBondContact O-N 2.81Å; V42-R45 PolarHBondContact O-N 3.13Å; V42-C46 PolarHBondContact O-N 3.18Å; V42-C46 PolarHBondContact O-SG 3.18Å; V42-Y85 PolarHBondContact N-OH 3.06Å; V42-Y85 VanDerWaalsContact N-OH 3.12Å; V42-P90 HydrophobicContact CG1-CB 4.46Å; V42-P90 HydrophobicContact CG1-CG 4.18Å; V42-P435 HydrophobicContact CG1-CB 3.78Å; V42-P435 HydrophobicContact CG1-CG 3.71Å
43	L	97.6	Very high	96.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66	-45.2	-177.4	-68.5	-180	0	0	0	111.7	S41 R45 C46 G47 I48 H50 Y85 P90 V92	S41-L43 PolarHBondContact O-N 3.01Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.33Å; L43-C46 CarbonylContact O-C 3.2Å; L43-C46 PolarHBondContact O-N 3.18Å; L43-G47 PolarHBondContact O-N 3.44Å; L43-I48 HydrophobicContact CB-CB 4.22Å; L43-I48 HydrophobicContact CD2-CB 4.36Å; L43-I48 HydrophobicContact CD2-CD1 4Å; L43-I48 HydrophobicContact CD2-CG2 4.26Å; L43-I48 PolarHBondContact O-N 3.25Å; L43-H50 WeakPolarHBondContact CB-CD2 3.27Å; L43-H50 HydrophobicContact CD1-CB 4.04Å; L43-Y85 HydrophobicContact CB-CE2 4.24Å; L43-Y85 HydrophobicContact CD1-CD2 4.04Å; L43-Y85 HydrophobicContact CD1-CE1 4.46Å; L43-Y85 HydrophobicContact CD1-CE2 3.58Å; L43-Y85 HydrophobicContact CG-CE1 4.37Å; L43-Y85 HydrophobicContact CG-CE2 3.95Å; L43-Y85 PolarHBondContact N-OH 3.01Å; L43-P90 HydrophobicContact CD1-CB 4.45Å; L43-P90 HydrophobicContact CD2-CB 3.82Å; L43-P90 HydrophobicContact CG-CB 3.94Å; L43-V92 HydrophobicContact CD2-CG2 3.87Å
44	A	96.7	Very high	96.1	Very high	63 Å²	63	66.1 Å²	66.1	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-39.3	177.4	0	0	0	0	0	112.8	S41 C46 G47	S41-A44 PolarHBondContact O-N 2.83Å; A44-C46 PolarHBondContact O-N 3.45Å; A44-G47 PolarHBondContact O-N 3.37Å
45	R	96.9	Very high	96.1	Very high	206 Å²	206	60.6 Å²	60.6	78%	0.777	32%	0.315	S	S	*	.	H	α-helix	trans	-64.2	-26.9	175.3	-73	176.5	-169.7	179.4	2.8	113.2	S41 V42 L43 G47	S41-R45 VanDerWaalsContact O-CG 3.3Å; S41-R45 WeakPolarHBondContact O-CG 3.32Å; S41-R45 PolarHBondContact O-N 3.24Å; S41-R45 PolarHBondContact OG-NE 3.4Å; S41-R45 PolarHBondContact OG-NH2 3.18Å; V42-R45 PolarHBondContact O-N 3.13Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.33Å; R45-G47 VanDerWaalsContact C-N 3.31Å
46	C	96.9	Very high	96.1	Very high	24 Å²	24	59.5 Å²	59.5	16%	0.162	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	6.4	174.9	-61.9	0	0	0	0	113	V42 L43 A44 I48 Q432 V433	V42-C46 PolarHBondContact O-N 3.18Å; V42-C46 PolarHBondContact O-SG 3.18Å; L43-C46 CarbonylContact O-C 3.2Å; L43-C46 PolarHBondContact O-N 3.18Å; A44-C46 PolarHBondContact O-N 3.45Å; C46-I48 HydrophobicContact CB-CD1 4.03Å; C46-I48 HydrophobicContact CB-CG1 4.14Å; C46-I48 PolarHBondContact O-N 3.42Å; C46-Q432 PolarHBondContact O-NE2 2.79Å; C46-V433 HydrophobicContact CB-CB 4.33Å; C46-V433 HydrophobicContact CB-CG1 4.39Å
47	G	96.9	Very high	96.1	Very high	59 Å²	59	61.6 Å²	61.6	61%	0.608	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	12.6	-177.3	0	0	0	0	0	114.5	L43 A44 R45	L43-G47 PolarHBondContact O-N 3.44Å; A44-G47 PolarHBondContact O-N 3.37Å; R45-G47 VanDerWaalsContact C-N 3.31Å
48	I	98	Very high	96.1	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	31%	0.309	C	S	.	.			trans	-86.5	120	-177.8	-60.3	171.5	0	0	0	108.9	L43 C46 H50 V92 Q432	L43-I48 HydrophobicContact CB-CB 4.22Å; L43-I48 HydrophobicContact CD2-CB 4.36Å; L43-I48 HydrophobicContact CD2-CD1 4Å; L43-I48 HydrophobicContact CD2-CG2 4.26Å; L43-I48 PolarHBondContact O-N 3.25Å; C46-I48 HydrophobicContact CB-CD1 4.03Å; C46-I48 HydrophobicContact CB-CG1 4.14Å; C46-I48 PolarHBondContact O-N 3.42Å; I48-H50 PolarHBondContact O-CD2 3.46Å; I48-V92 HydrophobicContact CD1-CB 4.39Å; I48-V92 HydrophobicContact CD1-CG1 3.88Å; I48-V92 HydrophobicContact CD1-CG2 3.63Å; I48-Q432 VanDerWaalsContact CG1-NE2 3.31Å
49	K	98.1	Very high	96.2	Very high	144 Å²	144	53.4 Å²	53.4	63%	0.626	29%	0.285	S	S	*	.	B	Isolated β-bridge	trans	-71.2	135.7	177	-65.4	179.9	-178.2	175.4	0	110.6	H78 C82 G83	K49-H78 HydrophobicContact CB-CB 4.04Å; K49-C82 CarbonylContact O-C 3.49Å; K49-C82 WeakPolarHBondContact O-CA 3.37Å; K49-G83 PolarHBondContact O-N 2.79Å
50	H	97.4	Very high	96.2	Very high	38 Å²	38	53 Å²	53	18%	0.176	28%	0.283	C	S	.	.			trans	-153.7	154.7	179.6	65	84.7	0	0	0	111.7	L43 I48 G83 Y85	L43-H50 WeakPolarHBondContact CB-CD2 3.27Å; L43-H50 HydrophobicContact CD1-CB 4.04Å; I48-H50 PolarHBondContact O-CD2 3.46Å; H50-G83 WeakPolarHBondContact CA-O 3.5Å; H50-G83 WeakPolarHBondContact CB-O 3.39Å; H50-Y85 AromaticContact CE1-CE2 3.79Å; H50-Y85 AromaticContact ND1-CE2 3.97Å
51	P	97	Very high	96	Very high	28 Å²	28	56.1 Å²	56.1	18%	0.182	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-66.7	155.4	173.2	25.8	-33.6	0	0	0	111.2	P53 N59 L74 G83	P51-P53 WeakPolarHBondContact O-CD 3.44Å; P51-N59 PolarHBondContact O-ND2 3.11Å; P51-L74 VanDerWaalsContact CD-CD1 3.42Å; P51-L74 HydrophobicContact CG-CD1 3.71Å; P51-G83 WeakPolarHBondContact CD-O 3.47Å
52	K	96.1	Very high	95.9	Very high	197 Å²	197	58.9 Å²	58.9	86%	0.857	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-61.7	121.3	178.7	-170.7	175.3	-178.4	178.2	0	110.4	N59	K52-N59 PolarHBondContact O-ND2 3.37Å
53	P	96.7	Very high	95.7	Very high	21 Å²	21	56.9 Å²	56.9	14%	0.136	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-77.9	146.6	179.6	25.8	-26.8	0	0	0	112	F40 P51 Y85	F40-P53 HydrophobicContact CB-CB 4.4Å; F40-P53 HydrophobicContact CB-CG 3.49Å; F40-P53 VanDerWaalsContact CB-CG 3.49Å; F40-P53 HydrophobicContact CD1-CB 4Å; F40-P53 HydrophobicContact CD1-CG 4Å; F40-P53 HydrophobicContact CD2-CB 3.74Å; F40-P53 HydrophobicContact CD2-CG 3.54Å; F40-P53 HydrophobicContact CE1-CB 4.2Å; F40-P53 HydrophobicContact CE2-CB 3.93Å; F40-P53 HydrophobicContact CE2-CG 4.25Å; F40-P53 HydrophobicContact CG-CB 3.79Å; F40-P53 HydrophobicContact CG-CG 3.4Å; F40-P53 HydrophobicContact CZ-CB 4.17Å; P51-P53 WeakPolarHBondContact O-CD 3.44Å; P53-Y85 HydrophobicContact CB-CD2 4.09Å; P53-Y85 HydrophobicContact CG-CD2 4.06Å; P53-Y85 HydrophobicContact CG-CE2 4.42Å
54	V	96.4	Very high	95.3	Very high	69 Å²	69	65.8 Å²	65.8	42%	0.418	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-80.1	136.1	171.3	-179.1	0	0	0	0	108.9	F40 F56 F57 G58	F40-V54 WeakPolarHBondContact CE2-O 3.26Å; V54-F56 PolarHBondContact O-N 3.05Å; V54-F57 HydrophobicContact CG1-CD2 4.4Å; V54-F57 PolarHBondContact O-N 3.11Å; V54-G58 WeakPolarHBondContact CB-O 3.44Å; V54-G58 PolarHBondContact N-O 3.45Å; V54-G58 PolarHBondContact O-N 2.89Å
55	P	95.4	Very high	94.9	Very high	54 Å²	54	71.3 Å²	71.3	35%	0.351	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.6	135.6	172.6	-32.2	37.7	0	0	0	112.7	V37 F57	V37-P55 HydrophobicContact CG1-CB 4.33Å; V37-P55 HydrophobicContact CG1-CG 4.16Å; P55-F57 WeakPolarHBondContact O-CD2 3.19Å; P55-F57 PolarHBondContact O-N 3.24Å
56	F	93.3	Very high	94.7	Very high	39 Å²	39	61.9 Å²	61.9	17%	0.171	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	-41	-173.4	-57.2	-85	0	0	0	116.7	L32 Y35 S36 V54 A235 F236	L32-F56 HydrophobicContact CD1-CE1 3.94Å; L32-F56 HydrophobicContact CD1-CZ 3.67Å; L32-F56 HydrophobicContact CG-CZ 3.91Å; Y35-F56 HydrophobicContact CD1-CD1 4.25Å; Y35-F56 AromaticContact CD1-CE1 3.79Å; Y35-F56 HydrophobicContact CD1-CE1 3.79Å; Y35-F56 HydrophobicContact CE1-CD1 4.22Å; Y35-F56 HydrophobicContact CE1-CE1 4.08Å; S36-F56 VanDerWaalsContact CB-CZ 3.4Å; S36-F56 PolarHBondContact O-N 2.98Å; V54-F56 PolarHBondContact O-N 3.05Å; F56-A235 HydrophobicContact CB-CB 3.95Å; F56-A235 HydrophobicContact CD1-CB 4.06Å; F56-A235 HydrophobicContact CG-CB 4.32Å; F56-F236 HydrophobicContact CD1-CE1 4.28Å; F56-F236 HydrophobicContact CD1-CZ 4.05Å; F56-F236 AromaticContact CE1-CE1 3.72Å; F56-F236 HydrophobicContact CE1-CE1 3.72Å; F56-F236 HydrophobicContact CE1-CE2 4.47Å; F56-F236 AromaticContact CE1-CZ 3.54Å; F56-F236 HydrophobicContact CE1-CZ 3.54Å; F56-F236 HydrophobicContact CZ-CZ 4.27Å
57	F	94.4	Very high	94.5	Very high	47 Å²	47	61.1 Å²	61.1	21%	0.206	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-10.7	-163.1	-58.6	-65.3	0	0	0	114.1	V54 P55 N59 I60 F61 G87 L231 A235	V54-F57 HydrophobicContact CG1-CD2 4.4Å; V54-F57 PolarHBondContact O-N 3.11Å; P55-F57 WeakPolarHBondContact O-CD2 3.19Å; P55-F57 PolarHBondContact O-N 3.24Å; F57-N59 PolarHBondContact O-N 2.9Å; F57-I60 HydrophobicContact CB-CG2 3.86Å; F57-I60 WeakPolarHBondContact O-CB 3.4Å; F57-I60 WeakPolarHBondContact O-CG2 3.36Å; F57-I60 PolarHBondContact O-N 3.32Å; F57-F61 HydrophobicContact CB-CD2 4.23Å; F57-F61 HydrophobicContact CB-CE2 3.64Å; F57-F61 HydrophobicContact CB-CZ 4.39Å; F57-F61 HydrophobicContact CD1-CE2 4.46Å; F57-F61 HydrophobicContact CD1-CZ 4.46Å; F57-F61 AromaticContact CD2-CE2 3.76Å; F57-F61 HydrophobicContact CD2-CE2 3.76Å; F57-F61 HydrophobicContact CD2-CZ 4.22Å; F57-F61 AromaticContact CG-CE2 3.69Å; F57-F61 HydrophobicContact CG-CE2 3.69Å; F57-F61 HydrophobicContact CG-CZ 4.1Å; F57-G87 WeakPolarHBondContact O-CA 3.37Å; F57-G87 PolarHBondContact O-N 3.38Å; F57-L231 HydrophobicContact CD1-CD2 4.36Å; F57-L231 HydrophobicContact CE1-CB 3.97Å; F57-L231 HydrophobicContact CE1-CD2 4.31Å; F57-A235 HydrophobicContact CE1-CB 4.07Å; F57-A235 HydrophobicContact CZ-CB 4.48Å
58	G	96.1	Very high	94.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	61.9	-128.9	-177	0	0	0	0	0	110.1	V54 G87	V54-G58 WeakPolarHBondContact CB-O 3.44Å; V54-G58 PolarHBondContact N-O 3.45Å; V54-G58 PolarHBondContact O-N 2.89Å; G58-G87 WeakPolarHBondContact CA-O 3.31Å; G58-G87 PolarHBondContact N-O 2.95Å
59	N	95.9	Very high	94.2	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.064	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	17.9	178.8	-52.1	103.3	0	0	0	112.5	P51 K52 F57 F61 Y62 F63 Y85	P51-N59 PolarHBondContact O-ND2 3.11Å; K52-N59 PolarHBondContact O-ND2 3.37Å; F57-N59 PolarHBondContact O-N 2.9Å; N59-F61 PolarHBondContact O-N 2.81Å; N59-F61 VanDerWaalsContact O-N 3.15Å; N59-Y62 WeakPolarHBondContact O-CB 3.42Å; N59-Y62 PolarHBondContact O-N 3.24Å; N59-F63 WeakPolarHBondContact O-CD2 3.41Å; N59-Y85 PolarHBondContact N-O 2.78Å; N59-Y85 PolarHBondContact OD1-N 2.91Å
60	I	92	Very high	94.1	Very high	2 Å²	2	61 Å²	61	1%	0.01	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-57.9	-34.7	-173.7	-163.5	166.8	0	0	0	113.9	F57 Y62 F63 L86 F225 F226 I234	F57-I60 HydrophobicContact CB-CG2 3.86Å; F57-I60 WeakPolarHBondContact O-CB 3.4Å; F57-I60 WeakPolarHBondContact O-CG2 3.36Å; F57-I60 PolarHBondContact O-N 3.32Å; I60-Y62 PolarHBondContact O-N 3.12Å; I60-F63 PolarHBondContact O-N 3.36Å; I60-F63 VanDerWaalsContact O-N 3.08Å; I60-L86 HydrophobicContact CB-CD1 4.34Å; I60-L86 HydrophobicContact CD1-CD1 4.08Å; I60-L86 HydrophobicContact CG1-CD1 3.92Å; I60-F225 HydrophobicContact CD1-CB 4.03Å; I60-F225 HydrophobicContact CD1-CD1 4.47Å; I60-F225 HydrophobicContact CD1-CG 4.41Å; I60-F226 HydrophobicContact CG1-CE1 4.13Å; I60-F226 HydrophobicContact CG1-CZ 4.25Å; I60-F226 WeakPolarHBondContact O-CZ 3.4Å; I60-I234 HydrophobicContact CD1-CD1 3.43Å; I60-I234 VanDerWaalsContact CD1-CD1 3.43Å; I60-I234 HydrophobicContact CD1-CG2 4.48Å
61	F	92.9	Very high	94	Very high	86 Å²	86	59.4 Å²	59.4	38%	0.377	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-69.2	-20.3	179.3	-61.9	-64.3	0	0	0	113.4	F57 N59 F63 R64 F226 L231	F57-F61 HydrophobicContact CB-CD2 4.23Å; F57-F61 HydrophobicContact CB-CE2 3.64Å; F57-F61 HydrophobicContact CB-CZ 4.39Å; F57-F61 HydrophobicContact CD1-CE2 4.46Å; F57-F61 HydrophobicContact CD1-CZ 4.46Å; F57-F61 AromaticContact CD2-CE2 3.76Å; F57-F61 HydrophobicContact CD2-CE2 3.76Å; F57-F61 HydrophobicContact CD2-CZ 4.22Å; F57-F61 AromaticContact CG-CE2 3.69Å; F57-F61 HydrophobicContact CG-CE2 3.69Å; F57-F61 HydrophobicContact CG-CZ 4.1Å; N59-F61 PolarHBondContact O-N 2.81Å; N59-F61 VanDerWaalsContact O-N 3.15Å; F61-F63 PolarHBondContact O-N 3.16Å; F61-R64 WeakPolarHBondContact O-CB 3.49Å; F61-R64 PolarHBondContact O-N 3.01Å; F61-F226 HydrophobicContact CD1-CD1 4.37Å; F61-F226 HydrophobicContact CD1-CE1 4.17Å; F61-L231 HydrophobicContact CE1-CD2 4.36Å; F61-L231 HydrophobicContact CZ-CD2 4.36Å
62	Y	93.2	Very high	93.9	Very high	99 Å²	99	59.1 Å²	59.1	39%	0.388	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-62.7	-24.5	171.3	-171.5	-105.9	0	0	0	111.9	N59 I60 P70 L74	N59-Y62 WeakPolarHBondContact O-CB 3.42Å; N59-Y62 PolarHBondContact O-N 3.24Å; I60-Y62 PolarHBondContact O-N 3.12Å; Y62-P70 HydrophobicContact CD1-CB 3.76Å; Y62-P70 HydrophobicContact CE1-CB 3.42Å; Y62-P70 VanDerWaalsContact CE1-CB 3.42Å; Y62-P70 WeakPolarHBondContact CE1-O 3.44Å; Y62-P70 PolarHBondContact OH-O 3.23Å; Y62-L74 HydrophobicContact CE1-CB 4.39Å
63	F	92.6	Very high	93.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-105.2	24.6	-178.4	-54.7	-73.9	0	0	0	113.1	N59 I60 F61 E65 G66 F67 P70 Y84	N59-F63 WeakPolarHBondContact O-CD2 3.41Å; I60-F63 PolarHBondContact O-N 3.36Å; I60-F63 VanDerWaalsContact O-N 3.08Å; F61-F63 PolarHBondContact O-N 3.16Å; F63-E65 VanDerWaalsContact C-N 3.25Å; F63-E65 PolarHBondContact O-N 3.36Å; F63-G66 WeakPolarHBondContact CA-O 3.49Å; F63-G66 PolarHBondContact O-N 2.91Å; F63-F67 HydrophobicContact CB-CD1 4.07Å; F63-F67 HydrophobicContact CB-CD2 4.36Å; F63-F67 HydrophobicContact CB-CE1 3.83Å; F63-F67 HydrophobicContact CB-CE2 4.14Å; F63-F67 HydrophobicContact CB-CG 4.32Å; F63-F67 HydrophobicContact CB-CZ 3.86Å; F63-F67 HydrophobicContact CD1-CB 4.43Å; F63-F67 AromaticContact CD1-CD1 3.42Å; F63-F67 HydrophobicContact CD1-CD1 3.42Å; F63-F67 VanDerWaalsContact CD1-CD1 3.42Å; F63-F67 AromaticContact CD1-CE1 3.78Å; F63-F67 HydrophobicContact CD1-CE1 3.78Å; F63-F67 HydrophobicContact CD1-CG 4.01Å; F63-F67 HydrophobicContact CD2-CD1 4.23Å; F63-F67 AromaticContact CD2-CE1 3.71Å; F63-F67 HydrophobicContact CD2-CE1 3.71Å; F63-F67 HydrophobicContact CD2-CZ 4.33Å; F63-F67 AromaticContact CE1-CD1 3.79Å; F63-F67 HydrophobicContact CE1-CD1 3.79Å; F63-F67 HydrophobicContact CE1-CE1 4.21Å; F63-F67 HydrophobicContact CE2-CE1 4.17Å; F63-F67 AromaticContact CG-CD1 3.64Å; F63-F67 HydrophobicContact CG-CD1 3.64Å; F63-F67 AromaticContact CG-CE1 3.48Å; F63-F67 HydrophobicContact CG-CE1 3.48Å; F63-F67 VanDerWaalsContact CG-CE1 3.48Å; F63-F67 HydrophobicContact CG-CG 4.3Å; F63-F67 HydrophobicContact CG-CZ 4.03Å; F63-F67 HydrophobicContact CZ-CD1 4.34Å; F63-F67 HydrophobicContact CZ-CE1 4.39Å; F63-P70 HydrophobicContact CD1-CB 3.89Å; F63-P70 HydrophobicContact CD1-CG 4.48Å; F63-P70 HydrophobicContact CE1-CB 4.06Å; F63-Y84 HydrophobicContact CD2-CE2 4.41Å; F63-Y84 AromaticContact CE2-CD2 3.49Å; F63-Y84 HydrophobicContact CE2-CD2 3.49Å; F63-Y84 VanDerWaalsContact CE2-CD2 3.49Å; F63-Y84 AromaticContact CE2-CE2 3.52Å; F63-Y84 HydrophobicContact CE2-CE2 3.52Å; F63-Y84 HydrophobicContact CE2-CG 4.05Å; F63-Y84 HydrophobicContact CZ-CD1 4.2Å; F63-Y84 AromaticContact CZ-CD2 3.93Å; F63-Y84 HydrophobicContact CZ-CD2 3.93Å; F63-Y84 HydrophobicContact CZ-CE1 4.18Å; F63-Y84 AromaticContact CZ-CE2 3.9Å; F63-Y84 HydrophobicContact CZ-CE2 3.9Å; F63-Y84 HydrophobicContact CZ-CG 4.07Å
64	R	89.3	Confident	93.9	Very high	187 Å²	187	52.9 Å²	52.9	71%	0.706	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.9	-177.2	-172.8	174.8	177.6	164.5	-1.9	113.5	F61 F226	F61-R64 WeakPolarHBondContact O-CB 3.49Å; F61-R64 PolarHBondContact O-N 3.01Å; R64-F226 VanDerWaalsContact CA-CZ 3.42Å; R64-F226 HydrophobicContact CB-CE1 4.36Å; R64-F226 HydrophobicContact CB-CE2 4.48Å; R64-F226 HydrophobicContact CB-CZ 4.16Å
65	E	87.4	Confident	94	Very high	180 Å²	180	49.8 Å²	49.8	84%	0.841	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	3.6	-179.9	-59.8	-174.4	173.2	0	0	112.9	F63	F63-E65 VanDerWaalsContact C-N 3.25Å; F63-E65 PolarHBondContact O-N 3.36Å
66	G	92.1	Very high	94.1	Very high	8 Å²	8	53.6 Å²	53.6	8%	0.082	23%	0.234	C	C	.	.			trans	117.9	179.9	-177.7	0	0	0	0	0	112.9	F63 P70 S525	F63-G66 WeakPolarHBondContact CA-O 3.49Å; F63-G66 PolarHBondContact O-N 2.91Å; G66-P70 WeakPolarHBondContact O-CD 3.48Å; G66-P70 WeakPolarHBondContact O-CG 3.3Å; G66-S525 VanDerWaalsContact CA-OG 3.31Å; G66-S525 WeakPolarHBondContact CA-OG 3.34Å
67	F	94.5	Very high	94.2	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.031	25%	0.253	C	S	.	.	S	Bend	trans	-100	-22	-173.2	-73.6	-95.2	0	0	0	113.8	F63 L71 L86 F225 F417 S525	F63-F67 HydrophobicContact CB-CD1 4.07Å; F63-F67 HydrophobicContact CB-CD2 4.36Å; F63-F67 HydrophobicContact CB-CE1 3.83Å; F63-F67 HydrophobicContact CB-CE2 4.14Å; F63-F67 HydrophobicContact CB-CG 4.32Å; F63-F67 HydrophobicContact CB-CZ 3.86Å; F63-F67 HydrophobicContact CD1-CB 4.43Å; F63-F67 AromaticContact CD1-CD1 3.42Å; F63-F67 HydrophobicContact CD1-CD1 3.42Å; F63-F67 VanDerWaalsContact CD1-CD1 3.42Å; F63-F67 AromaticContact CD1-CE1 3.78Å; F63-F67 HydrophobicContact CD1-CE1 3.78Å; F63-F67 HydrophobicContact CD1-CG 4.01Å; F63-F67 HydrophobicContact CD2-CD1 4.23Å; F63-F67 AromaticContact CD2-CE1 3.71Å; F63-F67 HydrophobicContact CD2-CE1 3.71Å; F63-F67 HydrophobicContact CD2-CZ 4.33Å; F63-F67 AromaticContact CE1-CD1 3.79Å; F63-F67 HydrophobicContact CE1-CD1 3.79Å; F63-F67 HydrophobicContact CE1-CE1 4.21Å; F63-F67 HydrophobicContact CE2-CE1 4.17Å; F63-F67 AromaticContact CG-CD1 3.64Å; F63-F67 HydrophobicContact CG-CD1 3.64Å; F63-F67 AromaticContact CG-CE1 3.48Å; F63-F67 HydrophobicContact CG-CE1 3.48Å; F63-F67 VanDerWaalsContact CG-CE1 3.48Å; F63-F67 HydrophobicContact CG-CG 4.3Å; F63-F67 HydrophobicContact CG-CZ 4.03Å; F63-F67 HydrophobicContact CZ-CD1 4.34Å; F63-F67 HydrophobicContact CZ-CE1 4.39Å; F67-L71 WeakPolarHBondContact O-CB 3.33Å; F67-L71 PolarHBondContact O-N 3.36Å; F67-L71 VanDerWaalsContact O-N 3.09Å; F67-L86 HydrophobicContact CZ-CD1 4.4Å; F67-F225 HydrophobicContact CE2-CE2 4.44Å; F67-F417 HydrophobicContact CB-CE2 3.58Å; F67-F417 HydrophobicContact CB-CZ 3.89Å; F67-S525 PolarHBondContact N-O 3.41Å; F67-S525 PolarHBondContact N-OG 2.89Å
68	F	94.4	Very high	94.4	Very high	21 Å²	21	56.2 Å²	56.2	9%	0.092	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-57.6	-168.1	-171.4	-110.3	0	0	0	113.7	T72 P414 F417 Y449 L523 S525 L529	F68-T72 PolarHBondContact O-OG1 3.25Å; F68-P414 HydrophobicContact CE2-CG 4.46Å; F68-F417 HydrophobicContact CB-CD2 4.25Å; F68-F417 HydrophobicContact CB-CE2 4.32Å; F68-F417 HydrophobicContact CD2-CB 3.76Å; F68-F417 AromaticContact CD2-CD2 3.82Å; F68-F417 HydrophobicContact CD2-CD2 3.82Å; F68-F417 AromaticContact CD2-CG 3.92Å; F68-F417 HydrophobicContact CD2-CG 3.92Å; F68-F417 HydrophobicContact CE2-CB 4Å; F68-Y449 HydrophobicContact CZ-CD2 4.48Å; F68-Y449 AromaticContact CZ-CE2 3.91Å; F68-Y449 HydrophobicContact CZ-CE2 3.91Å; F68-L523 HydrophobicContact CD1-CD1 4.33Å; F68-L523 HydrophobicContact CE1-CD1 4.32Å; F68-S525 VanDerWaalsContact CB-CB 3.49Å; F68-S525 PolarHBondContact N-OG 2.92Å; F68-S525 VanDerWaalsContact N-OG 3.15Å; F68-L529 HydrophobicContact CB-CD1 3.94Å; F68-L529 HydrophobicContact CD1-CD1 4.1Å; F68-L529 HydrophobicContact CD2-CD1 3.92Å; F68-L529 HydrophobicContact CD2-CD2 4.04Å; F68-L529 HydrophobicContact CE1-CD2 4.41Å; F68-L529 HydrophobicContact CE2-CD1 4.43Å; F68-L529 HydrophobicContact CE2-CD2 3.73Å; F68-L529 HydrophobicContact CG-CD1 3.74Å; F68-L529 HydrophobicContact CG-CD2 4.49Å; F68-L529 HydrophobicContact CZ-CD2 3.94Å
69	R	93.8	Very high	94.4	Very high	159 Å²	159	57.8 Å²	57.8	60%	0.6	27%	0.269	S	S	*	.	H	α-helix	trans	-71.5	-48.5	178.5	-62.1	-178.3	-178.5	168.8	0.9	112.8	L71 T72 E73	R69-L71 VanDerWaalsContact C-N 3.29Å; R69-L71 PolarHBondContact O-N 3.01Å; R69-T72 WeakPolarHBondContact O-CB 3.48Å; R69-T72 PolarHBondContact O-N 3.01Å; R69-T72 VanDerWaalsContact O-N 3.11Å; R69-E73 PolarHBondContact O-N 3.02Å
70	P	95.1	Very high	94.5	Very high	25 Å²	25	60.3 Å²	60.3	16%	0.162	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-32.9	-176.5	-24.7	37	0	0	0	113.4	Y62 F63 G66 T72 E73 L74	Y62-P70 HydrophobicContact CD1-CB 3.76Å; Y62-P70 HydrophobicContact CE1-CB 3.42Å; Y62-P70 VanDerWaalsContact CE1-CB 3.42Å; Y62-P70 WeakPolarHBondContact CE1-O 3.44Å; Y62-P70 PolarHBondContact OH-O 3.23Å; F63-P70 HydrophobicContact CD1-CB 3.89Å; F63-P70 HydrophobicContact CD1-CG 4.48Å; F63-P70 HydrophobicContact CE1-CB 4.06Å; G66-P70 WeakPolarHBondContact O-CD 3.48Å; G66-P70 WeakPolarHBondContact O-CG 3.3Å; P70-T72 VanDerWaalsContact C-N 3.3Å; P70-T72 PolarHBondContact O-N 3Å; P70-E73 PolarHBondContact O-N 3.46Å; P70-L74 WeakPolarHBondContact O-CB 3.48Å; P70-L74 PolarHBondContact O-N 3.1Å
71	L	95.8	Very high	94.7	Very high	5 Å²	5	62 Å²	62	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-36.6	176.6	-173.2	59.3	0	0	0	112.1	F67 R69 L74 I75 Y84 V93 E441 P443	F67-L71 WeakPolarHBondContact O-CB 3.33Å; F67-L71 PolarHBondContact O-N 3.36Å; F67-L71 VanDerWaalsContact O-N 3.09Å; R69-L71 VanDerWaalsContact C-N 3.29Å; R69-L71 PolarHBondContact O-N 3.01Å; L71-L74 HydrophobicContact CD1-CD2 4.12Å; L71-L74 WeakPolarHBondContact O-CB 2.94Å; L71-L74 PolarHBondContact O-N 3.31Å; L71-I75 HydrophobicContact CG-CD1 4.25Å; L71-I75 WeakPolarHBondContact O-CD1 3.5Å; L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 3.36Å; L71-I75 VanDerWaalsContact O-N 3.13Å; L71-Y84 HydrophobicContact CD1-CE1 4.49Å; L71-V93 HydrophobicContact CD1-CG1 3.99Å; L71-V93 HydrophobicContact CD1-CG2 3.78Å; L71-E441 WeakPolarHBondContact CD1-OE1 3.49Å; L71-E441 WeakPolarHBondContact CD2-OE1 3.5Å; L71-P443 HydrophobicContact CD2-CB 3.7Å; L71-P443 HydrophobicContact CG-CB 4.09Å
72	T	95.3	Very high	95	Very high	22 Å²	22	58 Å²	58	14%	0.135	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-46.5	173.7	-65.5	0	0	0	0	111.2	F68 R69 P70 L74 I75 K76 F446	F68-T72 PolarHBondContact O-OG1 3.25Å; R69-T72 WeakPolarHBondContact O-CB 3.48Å; R69-T72 PolarHBondContact O-N 3.01Å; R69-T72 VanDerWaalsContact O-N 3.11Å; P70-T72 VanDerWaalsContact C-N 3.3Å; P70-T72 PolarHBondContact O-N 3Å; T72-L74 VanDerWaalsContact C-N 3.35Å; T72-L74 PolarHBondContact O-N 2.63Å; T72-I75 PolarHBondContact O-N 2.98Å; T72-K76 HydrophobicContact CG2-CD 4.19Å; T72-K76 WeakPolarHBondContact O-CG 3.45Å; T72-K76 PolarHBondContact O-N 3.06Å; T72-F446 HydrophobicContact CG2-CD2 4.01Å
73	E	95.7	Very high	95.2	Very high	85 Å²	85	53.2 Å²	53.2	40%	0.397	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-35.7	179	-64	-52.4	121.2	0	0	112.5	R69 P70 I75 K76 T77	R69-E73 PolarHBondContact O-N 3.02Å; P70-E73 PolarHBondContact O-N 3.46Å; E73-I75 PolarHBondContact O-N 2.74Å; E73-K76 PolarHBondContact O-N 2.78Å; E73-K76 IonicContact OE1-NZ 2.78Å; E73-K76 PolarHBondContact OE1-NZ 3.07Å; E73-T77 WeakPolarHBondContact O-CB 3.43Å; E73-T77 WeakPolarHBondContact O-CG2 3.49Å; E73-T77 PolarHBondContact O-N 3Å; E73-T77 PolarHBondContact O-OG1 2.83Å
74	L	97.2	Very high	95.5	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-48.3	172.4	-177.4	73.7	0	0	0	111.5	P51 Y62 P70 L71 T72 T77 H78 Y84 V93	P51-L74 VanDerWaalsContact CD-CD1 3.42Å; P51-L74 HydrophobicContact CG-CD1 3.71Å; Y62-L74 HydrophobicContact CE1-CB 4.39Å; P70-L74 WeakPolarHBondContact O-CB 3.48Å; P70-L74 PolarHBondContact O-N 3.1Å; L71-L74 HydrophobicContact CD1-CD2 4.12Å; L71-L74 WeakPolarHBondContact O-CB 2.94Å; L71-L74 PolarHBondContact O-N 3.31Å; T72-L74 VanDerWaalsContact C-N 3.35Å; T72-L74 PolarHBondContact O-N 2.63Å; L74-T77 PolarHBondContact O-N 2.93Å; L74-T77 PolarHBondContact O-OG1 3.16Å; L74-T77 VanDerWaalsContact O-OG1 3.04Å; L74-H78 WeakPolarHBondContact O-CB 3.46Å; L74-H78 PolarHBondContact O-N 3.43Å; L74-H78 PolarHBondContact O-ND1 3.41Å; L74-Y84 HydrophobicContact CD2-CD1 3.64Å; L74-Y84 HydrophobicContact CD2-CE1 4.44Å; L74-Y84 HydrophobicContact CD2-CG 4.3Å; L74-V93 HydrophobicContact CD2-CG2 4.19Å
75	I	97.9	Very high	95.9	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-45	-178.8	-65.1	160.6	0	0	0	110.8	L71 T72 E73 T77 H78 G79 V93 A95 P443 F446	L71-I75 HydrophobicContact CG-CD1 4.25Å; L71-I75 WeakPolarHBondContact O-CD1 3.5Å; L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 3.36Å; L71-I75 VanDerWaalsContact O-N 3.13Å; T72-I75 PolarHBondContact O-N 2.98Å; E73-I75 PolarHBondContact O-N 2.74Å; I75-T77 VanDerWaalsContact C-N 3.25Å; I75-T77 PolarHBondContact O-N 3.31Å; I75-H78 PolarHBondContact O-N 2.99Å; I75-G79 CarbonylContact O-C 3.3Å; I75-G79 VanDerWaalsContact O-CA 3.3Å; I75-G79 WeakPolarHBondContact O-CA 3.45Å; I75-G79 PolarHBondContact O-N 3.11Å; I75-V93 HydrophobicContact CD1-CG1 3.84Å; I75-V93 HydrophobicContact CG1-CG1 3.86Å; I75-A95 HydrophobicContact CD1-CB 4.23Å; I75-A95 HydrophobicContact CG2-CB 4.04Å; I75-P443 HydrophobicContact CD1-CB 3.61Å; I75-P443 HydrophobicContact CD1-CG 3.65Å; I75-F446 HydrophobicContact CB-CD2 4.12Å; I75-F446 HydrophobicContact CB-CE2 4.06Å; I75-F446 HydrophobicContact CB-CG 4.47Å; I75-F446 HydrophobicContact CB-CZ 4.38Å; I75-F446 HydrophobicContact CD1-CB 3.66Å; I75-F446 HydrophobicContact CD1-CD1 3.9Å; I75-F446 HydrophobicContact CD1-CD2 3.92Å; I75-F446 HydrophobicContact CD1-CG 3.53Å; I75-F446 HydrophobicContact CG2-CD1 4.15Å; I75-F446 HydrophobicContact CG2-CD2 4.09Å; I75-F446 HydrophobicContact CG2-CE1 3.76Å; I75-F446 HydrophobicContact CG2-CE2 3.68Å; I75-F446 HydrophobicContact CG2-CG 4.32Å; I75-F446 HydrophobicContact CG2-CZ 3.51Å
76	K	96.3	Very high	96.1	Very high	135 Å²	135	36.9 Å²	36.9	59%	0.587	19%	0.185	S	C	*	.	H	α-helix	trans	-58.2	-37.8	176.9	-73.5	176.2	-176.9	168.1	0	112.6	T72 E73 F446	T72-K76 HydrophobicContact CG2-CD 4.19Å; T72-K76 WeakPolarHBondContact O-CG 3.45Å; T72-K76 PolarHBondContact O-N 3.06Å; E73-K76 PolarHBondContact O-N 2.78Å; E73-K76 IonicContact OE1-NZ 2.78Å; E73-K76 PolarHBondContact OE1-NZ 3.07Å; K76-F446 HydrophobicContact CG-CE2 4.44Å
77	T	97.1	Very high	96.1	Very high	94 Å²	94	36.6 Å²	36.6	58%	0.577	18%	0.181	S	C	*	.	H	α-helix	trans	-85.3	-30.8	-175.9	50.1	0	0	0	0	114	E73 L74 I75	E73-T77 WeakPolarHBondContact O-CB 3.43Å; E73-T77 WeakPolarHBondContact O-CG2 3.49Å; E73-T77 PolarHBondContact O-N 3Å; E73-T77 PolarHBondContact O-OG1 2.83Å; L74-T77 PolarHBondContact O-N 2.93Å; L74-T77 PolarHBondContact O-OG1 3.16Å; L74-T77 VanDerWaalsContact O-OG1 3.04Å; I75-T77 VanDerWaalsContact C-N 3.25Å; I75-T77 PolarHBondContact O-N 3.31Å
78	H	97.6	Very high	96	Very high	47 Å²	47	38 Å²	38	22%	0.218	19%	0.186	C	C	.	.	H	α-helix	trans	-112.9	-7.9	-173.1	-62.3	76.2	0	0	0	114	K49 L74 I75 C82	K49-H78 HydrophobicContact CB-CB 4.04Å; L74-H78 WeakPolarHBondContact O-CB 3.46Å; L74-H78 PolarHBondContact O-N 3.43Å; L74-H78 PolarHBondContact O-ND1 3.41Å; I75-H78 PolarHBondContact O-N 2.99Å; H78-C82 HydrophobicContact CB-CB 3.52Å
79	G	97	Very high	95.9	Very high	32 Å²	32	39.5 Å²	39.5	33%	0.33	19%	0.191	S	C	.	.			trans	99.8	171.3	179.7	0	0	0	0	0	113.7	I75 V81	I75-G79 CarbonylContact O-C 3.3Å; I75-G79 VanDerWaalsContact O-CA 3.3Å; I75-G79 WeakPolarHBondContact O-CA 3.45Å; I75-G79 PolarHBondContact O-N 3.11Å; G79-V81 PolarHBondContact O-N 2.99Å
80	R	96.8	Very high	96.1	Very high	65 Å²	65	32.6 Å²	32.6	25%	0.245	17%	0.167	C	C	.	.	S	Bend	trans	-60.6	-25.4	-176.5	-70.5	-176.8	171.8	-81	-6.3	114	A95 D450 D452	R80-A95 HydrophobicContact CB-CB 4.36Å; R80-A95 PolarHBondContact NH1-O 3.01Å; R80-A95 WeakPolarHBondContact O-CB 3.5Å; R80-A95 PolarHBondContact O-N 3.08Å; R80-D450 IonicContact CZ-OD2 3.16Å; R80-D450 IonicContact NH1-OD2 2.68Å; R80-D450 PolarHBondContact NH1-OD2 3.37Å; R80-D450 VanDerWaalsContact NH2-CG 3.31Å; R80-D450 IonicContact NH2-OD1 3.44Å; R80-D450 PolarHBondContact NH2-OD1 2.98Å; R80-D450 IonicContact NH2-OD2 3.45Å; R80-D450 PolarHBondContact NH2-OD2 3.04Å; R80-D452 IonicContact CZ-OD2 2.86Å; R80-D452 IonicContact NE-OD2 3.39Å; R80-D452 IonicContact NH2-OD2 2.72Å; R80-D452 PolarHBondContact NH2-OD2 2.98Å
81	V	97.9	Very high	96.2	Very high	39 Å²	39	31.5 Å²	31.5	24%	0.236	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	103.7	172.5	-177.4	0	0	0	0	107.7	G79 V93 D96 M99 Q432	G79-V81 PolarHBondContact O-N 2.99Å; V81-V93 WeakPolarHBondContact CA-O 3.28Å; V81-D96 HydrophobicContact CG2-CB 4.5Å; V81-M99 HydrophobicContact CG2-SD 3.97Å; V81-Q432 HydrophobicContact CG1-CG 3.87Å
82	C	98.3	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	-175.8	-175.7	65.6	0	0	0	0	110.1	K49 H78 V92 V93	K49-C82 CarbonylContact O-C 3.49Å; K49-C82 WeakPolarHBondContact O-CA 3.37Å; H78-C82 HydrophobicContact CB-CB 3.52Å; C82-V92 CarbonylContact O-C 3.51Å; C82-V93 PolarHBondContact N-O 2.7Å; C82-V93 VanDerWaalsContact N-O 3.13Å; C82-V93 PolarHBondContact O-N 3.49Å
83	G	97.9	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	175.4	177.9	0	0	0	0	0	113.9	K49 H50 P51 V91	K49-G83 PolarHBondContact O-N 2.79Å; H50-G83 WeakPolarHBondContact CA-O 3.5Å; H50-G83 WeakPolarHBondContact CB-O 3.39Å; P51-G83 WeakPolarHBondContact CD-O 3.47Å; G83-V91 CarbonylContact C-O 3.6Å; G83-V91 WeakPolarHBondContact CA-O 3.35Å
84	Y	97.9	Very high	96.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	171.3	173.2	67.6	-86.3	0	0	0	109.4	F63 L71 L74 L86 V91 V93 E441	F63-Y84 HydrophobicContact CD2-CE2 4.41Å; F63-Y84 AromaticContact CE2-CD2 3.49Å; F63-Y84 HydrophobicContact CE2-CD2 3.49Å; F63-Y84 VanDerWaalsContact CE2-CD2 3.49Å; F63-Y84 AromaticContact CE2-CE2 3.52Å; F63-Y84 HydrophobicContact CE2-CE2 3.52Å; F63-Y84 HydrophobicContact CE2-CG 4.05Å; F63-Y84 HydrophobicContact CZ-CD1 4.2Å; F63-Y84 AromaticContact CZ-CD2 3.93Å; F63-Y84 HydrophobicContact CZ-CD2 3.93Å; F63-Y84 HydrophobicContact CZ-CE1 4.18Å; F63-Y84 AromaticContact CZ-CE2 3.9Å; F63-Y84 HydrophobicContact CZ-CE2 3.9Å; F63-Y84 HydrophobicContact CZ-CG 4.07Å; L71-Y84 HydrophobicContact CD1-CE1 4.49Å; L74-Y84 HydrophobicContact CD2-CD1 3.64Å; L74-Y84 HydrophobicContact CD2-CE1 4.44Å; L74-Y84 HydrophobicContact CD2-CG 4.3Å; Y84-L86 HydrophobicContact CE2-CB 4.05Å; Y84-V91 HydrophobicContact CD1-CB 3.99Å; Y84-V91 HydrophobicContact CD1-CG1 4.18Å; Y84-V91 HydrophobicContact CD2-CB 4.3Å; Y84-V91 HydrophobicContact CD2-CG2 4.37Å; Y84-V91 HydrophobicContact CE1-CB 3.67Å; Y84-V91 HydrophobicContact CE1-CG1 3.46Å; Y84-V91 VanDerWaalsContact CE1-CG1 3.46Å; Y84-V91 HydrophobicContact CE1-CG2 4.34Å; Y84-V91 HydrophobicContact CE2-CB 4.02Å; Y84-V91 HydrophobicContact CE2-CG1 4.43Å; Y84-V91 HydrophobicContact CE2-CG2 3.85Å; Y84-V91 HydrophobicContact CG-CB 4.3Å; Y84-V91 PolarHBondContact N-O 3.4Å; Y84-V91 PolarHBondContact O-N 3Å; Y84-V93 HydrophobicContact CD1-CG2 3.86Å; Y84-V93 HydrophobicContact CE1-CG2 3.7Å; Y84-E441 PolarHBondContact OH-OE1 2.92Å; Y84-E441 PolarHBondContact OH-OE2 3.05Å
85	Y	97.1	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.7	175.8	-72.1	-85.7	0	0	0	110.7	P39 F40 V42 L43 H50 P53 N59 G87 R89 P90	P39-Y85 VanDerWaalsContact O-CE1 3.26Å; P39-Y85 WeakPolarHBondContact O-CE1 3.24Å; P39-Y85 PolarHBondContact O-OH 2.87Å; F40-Y85 VanDerWaalsContact CA-CZ 3.49Å; F40-Y85 WeakPolarHBondContact CA-OH 3.37Å; F40-Y85 HydrophobicContact CB-CE2 4.32Å; F40-Y85 AromaticContact CD1-CD1 3.57Å; F40-Y85 HydrophobicContact CD1-CD1 3.57Å; F40-Y85 AromaticContact CD1-CD2 3.97Å; F40-Y85 HydrophobicContact CD1-CD2 3.97Å; F40-Y85 AromaticContact CD1-CE1 3.9Å; F40-Y85 HydrophobicContact CD1-CE1 3.9Å; F40-Y85 HydrophobicContact CD1-CE2 4.28Å; F40-Y85 AromaticContact CD1-CG 3.59Å; F40-Y85 HydrophobicContact CD1-CG 3.59Å; F40-Y85 HydrophobicContact CE1-CD1 4.01Å; F40-Y85 AromaticContact CE1-CG 3.96Å; F40-Y85 HydrophobicContact CE1-CG 3.96Å; F40-Y85 PolarHBondContact O-OH 2.75Å; V42-Y85 PolarHBondContact N-OH 3.06Å; V42-Y85 VanDerWaalsContact N-OH 3.12Å; L43-Y85 HydrophobicContact CB-CE2 4.24Å; L43-Y85 HydrophobicContact CD1-CD2 4.04Å; L43-Y85 HydrophobicContact CD1-CE1 4.46Å; L43-Y85 HydrophobicContact CD1-CE2 3.58Å; L43-Y85 HydrophobicContact CG-CE1 4.37Å; L43-Y85 HydrophobicContact CG-CE2 3.95Å; L43-Y85 PolarHBondContact N-OH 3.01Å; H50-Y85 AromaticContact CE1-CE2 3.79Å; H50-Y85 AromaticContact ND1-CE2 3.97Å; P53-Y85 HydrophobicContact CB-CD2 4.09Å; P53-Y85 HydrophobicContact CG-CD2 4.06Å; P53-Y85 HydrophobicContact CG-CE2 4.42Å; N59-Y85 PolarHBondContact N-O 2.78Å; N59-Y85 PolarHBondContact OD1-N 2.91Å; Y85-G87 PolarHBondContact O-N 2.66Å; Y85-R89 WeakPolarHBondContact CA-O 3.48Å; Y85-P90 HydrophobicContact CD1-CB 4.17Å; Y85-P90 HydrophobicContact CE1-CB 3.73Å; Y85-P90 HydrophobicContact CE1-CG 4.44Å
86	L	92.7	Very high	96.6	Very high	24 Å²	24	28.1 Å²	28.1	13%	0.126	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	98.6	169.3	-171.4	60.9	0	0	0	108.8	I60 F67 Y84 R88 R89 V91 M115	I60-L86 HydrophobicContact CB-CD1 4.34Å; I60-L86 HydrophobicContact CD1-CD1 4.08Å; I60-L86 HydrophobicContact CG1-CD1 3.92Å; F67-L86 HydrophobicContact CZ-CD1 4.4Å; Y84-L86 HydrophobicContact CE2-CB 4.05Å; L86-R88 PolarHBondContact O-N 3.22Å; L86-R89 PolarHBondContact N-O 2.97Å; L86-R89 PolarHBondContact O-N 3.4Å; L86-R89 VanDerWaalsContact O-N 3.12Å; L86-V91 HydrophobicContact CB-CG2 4.02Å; L86-M115 HydrophobicContact CD2-CE 4.33Å
87	G	92.3	Very high	96.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-118	-164.3	0	0	0	0	0	109.5	F40 F57 G58 Y85 I234	F40-G87 WeakPolarHBondContact CE1-O 3.31Å; F57-G87 WeakPolarHBondContact O-CA 3.37Å; F57-G87 PolarHBondContact O-N 3.38Å; G58-G87 WeakPolarHBondContact CA-O 3.31Å; G58-G87 PolarHBondContact N-O 2.95Å; Y85-G87 PolarHBondContact O-N 2.66Å; G87-I234 VanDerWaalsContact CA-CG2 3.45Å
88	R	91.9	Very high	96.6	Very high	37 Å²	37	21.7 Å²	21.7	14%	0.14	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-6.8	178.7	-55.9	174.5	65.4	77.5	1.5	114	Y35 P39 L86	Y35-R88 VanDerWaalsContact O-CZ 3.26Å; Y35-R88 PolarHBondContact O-NH1 2.87Å; Y35-R88 PolarHBondContact O-NH2 3.32Å; P39-R88 HydrophobicContact CG-CB 4.21Å; L86-R88 PolarHBondContact O-N 3.22Å
89	R	92.8	Very high	96.6	Very high	52 Å²	52	19.6 Å²	19.6	20%	0.196	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.6	-173.3	-171.9	171.2	179.4	122.9	8.2	110.1	Y85 L86 E422 G437 A438 T439	Y85-R89 WeakPolarHBondContact CA-O 3.48Å; L86-R89 PolarHBondContact N-O 2.97Å; L86-R89 PolarHBondContact O-N 3.4Å; L86-R89 VanDerWaalsContact O-N 3.12Å; R89-E422 IonicContact CZ-OE1 3.6Å; R89-E422 IonicContact NH1-OE1 2.97Å; R89-E422 PolarHBondContact NH1-OE1 2.91Å; R89-E422 IonicContact NH2-OE1 3.84Å; R89-E422 PolarHBondContact NH2-OE1 3.1Å; R89-G437 PolarHBondContact NH2-O 2.83Å; R89-A438 PolarHBondContact NH2-O 3.47Å; R89-T439 PolarHBondContact NE-OG1 3.2Å; R89-T439 PolarHBondContact NH2-OG1 3.34Å
90	P	96.9	Very high	96.6	Very high	15 Å²	15	18 Å²	18	10%	0.097	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.9	172.7	24	-27.3	0	0	0	110.6	V42 L43 Y85 A438 T439	V42-P90 HydrophobicContact CG1-CB 4.46Å; V42-P90 HydrophobicContact CG1-CG 4.18Å; L43-P90 HydrophobicContact CD1-CB 4.45Å; L43-P90 HydrophobicContact CD2-CB 3.82Å; L43-P90 HydrophobicContact CG-CB 3.94Å; Y85-P90 HydrophobicContact CD1-CB 4.17Å; Y85-P90 HydrophobicContact CE1-CB 3.73Å; Y85-P90 HydrophobicContact CE1-CG 4.44Å; P90-A438 HydrophobicContact CB-CB 4.15Å; P90-A438 HydrophobicContact CG-CB 3.85Å; P90-A438 CarbonylContact O-C 3.48Å; P90-A438 VanDerWaalsContact O-CA 3.3Å; P90-A438 WeakPolarHBondContact O-CA 3.49Å; P90-T439 PolarHBondContact O-N 3.06Å
91	V	97.8	Very high	96.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.5	172.8	-174.5	0	0	0	0	108.1	G83 Y84 L86 T439 E441	G83-V91 CarbonylContact C-O 3.6Å; G83-V91 WeakPolarHBondContact CA-O 3.35Å; Y84-V91 HydrophobicContact CD1-CB 3.99Å; Y84-V91 HydrophobicContact CD1-CG1 4.18Å; Y84-V91 HydrophobicContact CD2-CB 4.3Å; Y84-V91 HydrophobicContact CD2-CG2 4.37Å; Y84-V91 HydrophobicContact CE1-CB 3.67Å; Y84-V91 HydrophobicContact CE1-CG1 3.46Å; Y84-V91 VanDerWaalsContact CE1-CG1 3.46Å; Y84-V91 HydrophobicContact CE1-CG2 4.34Å; Y84-V91 HydrophobicContact CE2-CB 4.02Å; Y84-V91 HydrophobicContact CE2-CG1 4.43Å; Y84-V91 HydrophobicContact CE2-CG2 3.85Å; Y84-V91 HydrophobicContact CG-CB 4.3Å; Y84-V91 PolarHBondContact N-O 3.4Å; Y84-V91 PolarHBondContact O-N 3Å; L86-V91 HydrophobicContact CB-CG2 4.02Å; V91-T439 CarbonylContact C-O 3.23Å; V91-T439 VanDerWaalsContact CA-O 3.28Å; V91-T439 WeakPolarHBondContact CA-O 3.36Å; V91-T439 HydrophobicContact CG1-CG2 4.43Å; V91-E441 HydrophobicContact CG1-CB 3.71Å
92	V	98.4	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117	174.9	-175.1	0	0	0	0	107.6	L43 I48 C82 V94 I423 L434 A438 T439 L440 E441	L43-V92 HydrophobicContact CD2-CG2 3.87Å; I48-V92 HydrophobicContact CD1-CB 4.39Å; I48-V92 HydrophobicContact CD1-CG1 3.88Å; I48-V92 HydrophobicContact CD1-CG2 3.63Å; C82-V92 CarbonylContact O-C 3.51Å; V92-V94 HydrophobicContact CG1-CG2 4.26Å; V92-I423 HydrophobicContact CG2-CD1 4.39Å; V92-L434 HydrophobicContact CB-CD2 4.42Å; V92-L434 HydrophobicContact CG1-CD2 3.81Å; V92-L434 HydrophobicContact CG2-CD2 4.45Å; V92-A438 HydrophobicContact CG2-CB 4.33Å; V92-T439 PolarHBondContact N-O 3.06Å; V92-L440 CarbonylContact O-C 3.59Å; V92-L440 WeakPolarHBondContact O-CA 3.47Å; V92-E441 PolarHBondContact O-N 3.26Å
93	V	98.4	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.1	178.2	-177.9	0	0	0	0	108.4	L71 L74 I75 V81 C82 Y84 E441 P443	L71-V93 HydrophobicContact CD1-CG1 3.99Å; L71-V93 HydrophobicContact CD1-CG2 3.78Å; L74-V93 HydrophobicContact CD2-CG2 4.19Å; I75-V93 HydrophobicContact CD1-CG1 3.84Å; I75-V93 HydrophobicContact CG1-CG1 3.86Å; V81-V93 WeakPolarHBondContact CA-O 3.28Å; C82-V93 PolarHBondContact N-O 2.7Å; C82-V93 VanDerWaalsContact N-O 3.13Å; C82-V93 PolarHBondContact O-N 3.49Å; Y84-V93 HydrophobicContact CD1-CG2 3.86Å; Y84-V93 HydrophobicContact CE1-CG2 3.7Å; V93-E441 WeakPolarHBondContact CA-O 3.49Å; V93-E441 HydrophobicContact CG2-CB 4.35Å; V93-P443 HydrophobicContact CG1-CB 4.01Å; V93-P443 HydrophobicContact CG1-CG 3.78Å
94	V	98.2	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	106.1	-179.2	-179.6	0	0	0	0	109.5	V92 M99 L100 L440 E441 P443	V92-V94 HydrophobicContact CG1-CG2 4.26Å; V94-M99 HydrophobicContact CB-SD 4.37Å; V94-M99 HydrophobicContact CG1-CB 3.75Å; V94-M99 HydrophobicContact CG1-CG 3.7Å; V94-M99 HydrophobicContact CG1-SD 3.47Å; V94-M99 WeakPolarHBondContact CG1-SD 3.29Å; V94-M99 HydrophobicContact CG2-CE 4.06Å; V94-M99 HydrophobicContact CG2-SD 3.94Å; V94-L100 HydrophobicContact CB-CD2 4.12Å; V94-L100 HydrophobicContact CG1-CD2 3.93Å; V94-L100 HydrophobicContact CG1-CG 4.05Å; V94-L100 WeakPolarHBondContact O-CD2 3.35Å; V94-L440 HydrophobicContact CG2-CD1 3.98Å; V94-L440 HydrophobicContact CG2-CD2 4.44Å; V94-L440 HydrophobicContact CG2-CG 3.98Å; V94-E441 PolarHBondContact N-O 2.97Å; V94-P443 WeakPolarHBondContact O-CD 3.35Å
95	A	97.8	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.106	C	C	.	.			trans	-107.4	13.9	176.1	0	0	0	0	0	112.9	I75 R80 P443 F446 L447	I75-A95 HydrophobicContact CD1-CB 4.23Å; I75-A95 HydrophobicContact CG2-CB 4.04Å; R80-A95 HydrophobicContact CB-CB 4.36Å; R80-A95 PolarHBondContact NH1-O 3.01Å; R80-A95 WeakPolarHBondContact O-CB 3.5Å; R80-A95 PolarHBondContact O-N 3.08Å; A95-P443 HydrophobicContact CB-CG 3.82Å; A95-F446 HydrophobicContact CB-CD1 3.73Å; A95-F446 HydrophobicContact CB-CE1 3.75Å; A95-L447 HydrophobicContact CB-CD2 4.42Å
96	D	97.5	Very high	95.7	Very high	46 Å²	46	29.7 Å²	29.7	25%	0.246	13%	0.133	C	C	.	.			trans	-90.2	117.2	173.6	178.7	-100.6	0	0	0	110.2	V81 D98 M99 L100	V81-D96 HydrophobicContact CG2-CB 4.5Å; D96-D98 VanDerWaalsContact C-N 3.32Å; D96-D98 PolarHBondContact O-N 3.34Å; D96-D98 PolarHBondContact OD1-N 3Å; D96-M99 HydrophobicContact CB-CB 3.96Å; D96-M99 PolarHBondContact O-N 3.35Å; D96-M99 VanDerWaalsContact OD1-CB 3.27Å; D96-M99 WeakPolarHBondContact OD1-CB 3.2Å; D96-M99 PolarHBondContact OD1-N 3.34Å; D96-L100 VanDerWaalsContact O-CG 3.29Å; D96-L100 WeakPolarHBondContact O-CG 3.36Å; D96-L100 PolarHBondContact O-N 3.09Å
97	P	96.9	Very high	95.6	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.058	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-32.6	-173.5	-24.1	34.4	0	0	0	114.8	L100 R101 H474 F476 V477	P97-L100 PolarHBondContact O-N 2.97Å; P97-R101 PolarHBondContact O-N 3.48Å; P97-H474 WeakPolarHBondContact CB-CE1 3.45Å; P97-H474 WeakPolarHBondContact CB-ND1 3.43Å; P97-F476 HydrophobicContact CB-CB 4.11Å; P97-F476 WeakPolarHBondContact O-CB 3.21Å; P97-V477 HydrophobicContact CB-CG1 4.13Å; P97-V477 HydrophobicContact CG-CG1 3.79Å
98	D	96.4	Very high	95.5	Very high	84 Å²	84	31.8 Å²	31.8	45%	0.449	14%	0.143	S	C	.	.	H	α-helix	trans	-73.9	-39.1	178.9	-76.3	-45.3	0	0	0	112.3	D96 L100 R101 S102 H474	D96-D98 VanDerWaalsContact C-N 3.32Å; D96-D98 PolarHBondContact O-N 3.34Å; D96-D98 PolarHBondContact OD1-N 3Å; D98-L100 VanDerWaalsContact C-N 3.31Å; D98-R101 PolarHBondContact O-N 2.93Å; D98-S102 PolarHBondContact O-N 2.86Å; D98-S102 PolarHBondContact O-OG 3.24Å; D98-H474 IonicContact OD1-NE2 2.8Å; D98-H474 PolarHBondContact OD1-NE2 2.85Å
99	M	97.4	Very high	95.5	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-38.2	172.4	-167.1	-179.2	-177.7	0	0	110.5	V81 V94 D96 S102 V103 V429 N430 Q432 L434	V81-M99 HydrophobicContact CG2-SD 3.97Å; V94-M99 HydrophobicContact CB-SD 4.37Å; V94-M99 HydrophobicContact CG1-CB 3.75Å; V94-M99 HydrophobicContact CG1-CG 3.7Å; V94-M99 HydrophobicContact CG1-SD 3.47Å; V94-M99 WeakPolarHBondContact CG1-SD 3.29Å; V94-M99 HydrophobicContact CG2-CE 4.06Å; V94-M99 HydrophobicContact CG2-SD 3.94Å; D96-M99 HydrophobicContact CB-CB 3.96Å; D96-M99 PolarHBondContact O-N 3.35Å; D96-M99 VanDerWaalsContact OD1-CB 3.27Å; D96-M99 WeakPolarHBondContact OD1-CB 3.2Å; D96-M99 PolarHBondContact OD1-N 3.34Å; M99-S102 WeakPolarHBondContact O-CB 3.42Å; M99-S102 PolarHBondContact O-N 3.46Å; M99-V103 WeakPolarHBondContact O-CG2 3.39Å; M99-V103 PolarHBondContact O-N 2.99Å; M99-V429 HydrophobicContact CE-CB 3.9Å; M99-V429 HydrophobicContact CE-CG1 4.26Å; M99-V429 HydrophobicContact CG-CB 4.45Å; M99-V429 HydrophobicContact CG-CG1 3.78Å; M99-N430 WeakPolarHBondContact CA-ND2 3.4Å; M99-N430 HydrophobicContact CG-CB 4.45Å; M99-N430 PolarHBondContact N-ND2 3.35Å; M99-Q432 HydrophobicContact CE-CB 3.93Å; M99-Q432 HydrophobicContact CE-CG 4.19Å; M99-L434 HydrophobicContact CE-CD1 4.05Å; M99-L434 HydrophobicContact CE-CD2 3.97Å; M99-L434 HydrophobicContact CE-CG 4.26Å
100	L	97.6	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-44	173.3	-71.3	176	0	0	0	112.3	V94 D96 P97 D98 S102 V103 M104 I442 L447 F476	V94-L100 HydrophobicContact CB-CD2 4.12Å; V94-L100 HydrophobicContact CG1-CD2 3.93Å; V94-L100 HydrophobicContact CG1-CG 4.05Å; V94-L100 WeakPolarHBondContact O-CD2 3.35Å; D96-L100 VanDerWaalsContact O-CG 3.29Å; D96-L100 WeakPolarHBondContact O-CG 3.36Å; D96-L100 PolarHBondContact O-N 3.09Å; P97-L100 PolarHBondContact O-N 2.97Å; D98-L100 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 3.48Å; L100-V103 PolarHBondContact O-N 3.1Å; L100-M104 HydrophobicContact CB-SD 4.35Å; L100-M104 HydrophobicContact CD2-SD 4.38Å; L100-M104 VanDerWaalsContact O-CB 3.25Å; L100-M104 WeakPolarHBondContact O-CB 3.29Å; L100-M104 VanDerWaalsContact O-CG 3.25Å; L100-M104 WeakPolarHBondContact O-CG 3.45Å; L100-M104 PolarHBondContact O-N 2.84Å; L100-I442 HydrophobicContact CD1-CG2 4.2Å; L100-I442 HydrophobicContact CD2-CB 4.18Å; L100-I442 HydrophobicContact CD2-CG1 3.74Å; L100-I442 HydrophobicContact CD2-CG2 3.79Å; L100-L447 HydrophobicContact CD1-CD1 3.47Å; L100-L447 VanDerWaalsContact CD1-CD1 3.47Å; L100-L447 HydrophobicContact CD1-CD2 4.21Å; L100-L447 HydrophobicContact CD1-CG 4.46Å; L100-F476 HydrophobicContact CB-CB 4.22Å; L100-F476 HydrophobicContact CB-CD1 3.91Å; L100-F476 HydrophobicContact CB-CG 4.32Å
101	R	96.1	Very high	95.3	Very high	142 Å²	142	34.1 Å²	34.1	54%	0.536	17%	0.169	S	C	.	.	H	α-helix	trans	-55.8	-43	173.1	-177.1	176.3	-176.2	-161.8	2.7	111.6	P97 D98 V105 R106 F476	P97-R101 PolarHBondContact O-N 3.48Å; D98-R101 PolarHBondContact O-N 2.93Å; R101-V105 PolarHBondContact O-N 2.96Å; R101-V105 VanDerWaalsContact O-N 3.13Å; R101-R106 PolarHBondContact O-N 3.31Å; R101-F476 HydrophobicContact CB-CD2 3.58Å; R101-F476 HydrophobicContact CB-CE1 4.48Å; R101-F476 HydrophobicContact CB-CE2 3.54Å; R101-F476 HydrophobicContact CB-CG 4.12Å; R101-F476 HydrophobicContact CB-CZ 4.03Å; R101-F476 HydrophobicContact CG-CD2 4.01Å; R101-F476 HydrophobicContact CG-CE2 3.53Å; R101-F476 HydrophobicContact CG-CZ 4.09Å
102	S	94.9	Very high	95.1	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	17%	0.172	C	C	.	.	I	π-helix	trans	-61.8	-53.3	177.8	-57.6	0	0	0	0	111.3	D98 M99 L100 R106 D107 N430	D98-S102 PolarHBondContact O-N 2.86Å; D98-S102 PolarHBondContact O-OG 3.24Å; M99-S102 WeakPolarHBondContact O-CB 3.42Å; M99-S102 PolarHBondContact O-N 3.46Å; L100-S102 PolarHBondContact O-N 3.48Å; S102-R106 VanDerWaalsContact CB-NH2 3.27Å; S102-R106 PolarHBondContact O-N 3.36Å; S102-R106 VanDerWaalsContact OG-CZ 3.23Å; S102-R106 PolarHBondContact OG-NH1 3.15Å; S102-R106 PolarHBondContact OG-NH2 3.48Å; S102-D107 WeakPolarHBondContact O-CB 3.37Å; S102-D107 PolarHBondContact O-N 2.94Å; S102-N430 PolarHBondContact OG-OD1 3Å
103	V	94.4	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-67.7	-41	-176.4	168.9	0	0	0	0	113.1	M99 L100 F111 V429 L440	M99-V103 WeakPolarHBondContact O-CG2 3.39Å; M99-V103 PolarHBondContact O-N 2.99Å; L100-V103 PolarHBondContact O-N 3.1Å; V103-F111 HydrophobicContact CB-CD2 4.17Å; V103-F111 HydrophobicContact CB-CE2 4.36Å; V103-F111 HydrophobicContact CG1-CB 4.1Å; V103-F111 HydrophobicContact CG1-CD1 4.34Å; V103-F111 HydrophobicContact CG1-CD2 3.8Å; V103-F111 HydrophobicContact CG1-CE2 4.32Å; V103-F111 HydrophobicContact CG1-CG 3.81Å; V103-F111 HydrophobicContact CG2-CD2 4.26Å; V103-F111 HydrophobicContact CG2-CE2 3.96Å; V103-F111 HydrophobicContact CG2-CZ 4.28Å; V103-V429 HydrophobicContact CG2-CG1 4.15Å; V103-L440 HydrophobicContact CB-CD1 4.37Å; V103-L440 HydrophobicContact CG1-CD1 3.8Å; V103-L440 HydrophobicContact CG1-CD2 3.93Å; V103-L440 HydrophobicContact CG1-CG 4.49Å; V103-L440 HydrophobicContact CG2-CD1 3.72Å
104	M	94.7	Very high	94.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-87.2	-24.2	-169.9	-63.5	179.1	71.7	0	0	113.3	L100 I442 F476 L479 A483 P485	L100-M104 HydrophobicContact CB-SD 4.35Å; L100-M104 HydrophobicContact CD2-SD 4.38Å; L100-M104 VanDerWaalsContact O-CB 3.25Å; L100-M104 WeakPolarHBondContact O-CB 3.29Å; L100-M104 VanDerWaalsContact O-CG 3.25Å; L100-M104 WeakPolarHBondContact O-CG 3.45Å; L100-M104 PolarHBondContact O-N 2.84Å; M104-I442 HydrophobicContact CE-CD1 3.92Å; M104-I442 HydrophobicContact CG-CD1 3.94Å; M104-I442 HydrophobicContact SD-CD1 3.67Å; M104-I442 HydrophobicContact SD-CG1 4.34Å; M104-I442 HydrophobicContact SD-CG2 4.33Å; M104-F476 HydrophobicContact CB-CE1 3.84Å; M104-F476 HydrophobicContact CG-CE1 4.36Å; M104-F476 HydrophobicContact SD-CD1 3.92Å; M104-F476 HydrophobicContact SD-CE1 3.87Å; M104-L479 HydrophobicContact SD-CD1 4.27Å; M104-A483 HydrophobicContact CE-CB 3.78Å; M104-A483 VanDerWaalsContact CE-N 3.31Å; M104-P485 WeakPolarHBondContact O-CD 3.2Å
105	V	93.6	Very high	94.1	Very high	50 Å²	50	39.6 Å²	39.6	30%	0.303	19%	0.193	S	C	.	.	I	π-helix	trans	-127.4	-66.1	-175	178.1	0	0	0	0	111.7	R101 D107 F108 T303 F476	R101-V105 PolarHBondContact O-N 2.96Å; R101-V105 VanDerWaalsContact O-N 3.13Å; V105-D107 PolarHBondContact O-N 2.94Å; V105-F108 WeakPolarHBondContact O-CB 3.22Å; V105-F108 PolarHBondContact O-N 3.29Å; V105-T303 HydrophobicContact CG1-CG2 4.37Å; V105-F476 HydrophobicContact CB-CZ 4.5Å; V105-F476 HydrophobicContact CG2-CE1 4.37Å; V105-F476 HydrophobicContact CG2-CZ 3.69Å
106	R	92.6	Very high	93.2	Very high	155 Å²	155	44.1 Å²	44.1	59%	0.585	21%	0.214	S	C	*	.	I	π-helix	trans	-60.2	-50.4	-169.7	-170.3	-177.5	68	-155.3	-3.5	112.5	R101 S102	R101-R106 PolarHBondContact O-N 3.31Å; S102-R106 VanDerWaalsContact CB-NH2 3.27Å; S102-R106 PolarHBondContact O-N 3.36Å; S102-R106 VanDerWaalsContact OG-CZ 3.23Å; S102-R106 PolarHBondContact OG-NH1 3.15Å; S102-R106 PolarHBondContact OG-NH2 3.48Å
107	D	91	Very high	92.1	Very high	48 Å²	48	47 Å²	47	26%	0.257	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	28.6	-174.3	-52.7	-41.7	0	0	0	110.4	S102 V105 T109 S110 F111	S102-D107 WeakPolarHBondContact O-CB 3.37Å; S102-D107 PolarHBondContact O-N 2.94Å; V105-D107 PolarHBondContact O-N 2.94Å; D107-T109 PolarHBondContact O-N 3.49Å; D107-T109 VanDerWaalsContact O-N 3.11Å; D107-S110 WeakPolarHBondContact O-CB 3.48Å; D107-S110 PolarHBondContact O-N 3.19Å; D107-F111 HydrophobicContact CB-CE2 4.43Å; D107-F111 WeakPolarHBondContact O-CD2 3.44Å
108	F	90.8	Very high	90.8	Very high	20 Å²	20	53.7 Å²	53.7	9%	0.088	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-55.5	-33.1	-174.6	172.4	-98	0	0	0	113.4	V105 S110 F111 P112 W136 P485 R486	V105-F108 WeakPolarHBondContact O-CB 3.22Å; V105-F108 PolarHBondContact O-N 3.29Å; F108-S110 PolarHBondContact O-N 3.38Å; F108-F111 CarbonylContact O-C 3.11Å; F108-F111 PolarHBondContact O-N 2.96Å; F108-P112 HydrophobicContact CE1-CB 4.37Å; F108-P112 HydrophobicContact CZ-CB 4.34Å; F108-W136 HydrophobicContact CE1-CH2 4.22Å; F108-W136 AromaticContact CE1-CZ3 3.93Å; F108-W136 HydrophobicContact CE1-CZ3 3.93Å; F108-W136 AromaticContact CZ-CH2 3.75Å; F108-W136 HydrophobicContact CZ-CH2 3.75Å; F108-W136 AromaticContact CZ-CZ3 3.71Å; F108-W136 HydrophobicContact CZ-CZ3 3.71Å; F108-P485 HydrophobicContact CB-CG 4.44Å; F108-P485 HydrophobicContact CD1-CB 4.16Å; F108-P485 HydrophobicContact CD1-CG 3.72Å; F108-P485 HydrophobicContact CD2-CB 4.32Å; F108-P485 HydrophobicContact CD2-CG 3.94Å; F108-P485 HydrophobicContact CE1-CB 3.8Å; F108-P485 HydrophobicContact CE1-CG 3.91Å; F108-P485 HydrophobicContact CE2-CB 3.97Å; F108-P485 HydrophobicContact CE2-CG 4.12Å; F108-P485 HydrophobicContact CG-CB 4.41Å; F108-P485 HydrophobicContact CG-CG 3.74Å; F108-P485 HydrophobicContact CZ-CB 3.71Å; F108-P485 HydrophobicContact CZ-CG 4.11Å; F108-R486 HydrophobicContact CE2-CB 4.12Å; F108-R486 HydrophobicContact CE2-CG 3.68Å; F108-R486 HydrophobicContact CZ-CG 3.8Å
109	T	91.1	Very high	89.5	Confident	117 Å²	117	52.7 Å²	52.7	72%	0.718	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-60.7	-24.9	177.6	51	0	0	0	0	112.9	D107 P112	D107-T109 PolarHBondContact O-N 3.49Å; D107-T109 VanDerWaalsContact O-N 3.11Å; T109-P112 WeakPolarHBondContact O-CD 3.34Å
110	S	91.6	Very high	88.5	Confident	35 Å²	35	53.3 Å²	53.3	25%	0.245	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-82.5	-21.8	174.1	-61.2	0	0	0	0	113.2	D107 F108	D107-S110 WeakPolarHBondContact O-CB 3.48Å; D107-S110 PolarHBondContact O-N 3.19Å; F108-S110 PolarHBondContact O-N 3.38Å
111	F	94.1	Very high	87.5	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	26%	0.261	C	S	.	.	S	Bend	trans	-126.2	49.2	-179	-51.5	-78.2	0	0	0	113.6	V103 D107 F108 N113 R421 I423 V429 L434	V103-F111 HydrophobicContact CB-CD2 4.17Å; V103-F111 HydrophobicContact CB-CE2 4.36Å; V103-F111 HydrophobicContact CG1-CB 4.1Å; V103-F111 HydrophobicContact CG1-CD1 4.34Å; V103-F111 HydrophobicContact CG1-CD2 3.8Å; V103-F111 HydrophobicContact CG1-CE2 4.32Å; V103-F111 HydrophobicContact CG1-CG 3.81Å; V103-F111 HydrophobicContact CG2-CD2 4.26Å; V103-F111 HydrophobicContact CG2-CE2 3.96Å; V103-F111 HydrophobicContact CG2-CZ 4.28Å; D107-F111 HydrophobicContact CB-CE2 4.43Å; D107-F111 WeakPolarHBondContact O-CD2 3.44Å; F108-F111 CarbonylContact O-C 3.11Å; F108-F111 PolarHBondContact O-N 2.96Å; F111-N113 VanDerWaalsContact C-N 3.31Å; F111-N113 PolarHBondContact O-N 3.21Å; F111-R421 HydrophobicContact CB-CB 4.27Å; F111-R421 HydrophobicContact CB-CG 4.41Å; F111-R421 WeakPolarHBondContact O-CD 3.5Å; F111-I423 HydrophobicContact CD1-CG1 4.47Å; F111-I423 HydrophobicContact CE1-CG1 4.15Å; F111-V429 HydrophobicContact CE2-CG2 4.12Å; F111-V429 HydrophobicContact CZ-CG2 3.83Å; F111-L434 HydrophobicContact CE1-CD1 4.18Å; F111-L434 HydrophobicContact CZ-CD1 4.04Å
112	P	93.6	Very high	86.7	Confident	13 Å²	13	53.5 Å²	53.5	8%	0.084	26%	0.255	C	S	.	.			trans	-78.1	-16.6	-169.5	31.7	-35.8	0	0	0	113.5	F108 T109 R486	F108-P112 HydrophobicContact CE1-CB 4.37Å; F108-P112 HydrophobicContact CZ-CB 4.34Å; T109-P112 WeakPolarHBondContact O-CD 3.34Å; P112-R486 VanDerWaalsContact O-CZ 3.32Å; P112-R486 PolarHBondContact O-NE 2.94Å; P112-R486 PolarHBondContact O-NH2 3.42Å
113	N	95.7	Very high	86.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.255	C	S	.	.			trans	-111.4	143.2	-167.3	-62.9	-46.1	0	0	0	112.1	F111 R132 N133 R421 E422 D424	F111-N113 VanDerWaalsContact C-N 3.31Å; F111-N113 PolarHBondContact O-N 3.21Å; N113-R132 PolarHBondContact ND2-NH2 2.75Å; N113-R132 VanDerWaalsContact OD1-CA 3.23Å; N113-R132 WeakPolarHBondContact OD1-CA 3.31Å; N113-R132 WeakPolarHBondContact OD1-CB 3.25Å; N113-N133 PolarHBondContact ND2-OD1 2.9Å; N113-N133 PolarHBondContact OD1-N 2.86Å; N113-N133 PolarHBondContact OD1-OD1 2.96Å; N113-R421 CarbonylContact O-C 3.54Å; N113-R421 VanDerWaalsContact O-CA 3.27Å; N113-R421 WeakPolarHBondContact O-CA 3.25Å; N113-R421 WeakPolarHBondContact O-CD 3.46Å; N113-E422 HydrophobicContact CB-CB 4.47Å; N113-E422 PolarHBondContact O-N 2.8Å; N113-D424 PolarHBondContact ND2-OD2 3.35Å; N113-D424 VanDerWaalsContact ND2-OD2 3.14Å
114	R	93	Very high	85.5	Confident	64 Å²	64	55.4 Å²	55.4	24%	0.242	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-82.8	161	169	-63	-173.1	178.8	-156.6	2.7	109.9	Q116 R486	R114-Q116 PolarHBondContact O-N 3.3Å; R114-R486 PolarHBondContact NH2-O 2.88Å
115	M	86.5	Confident	85.1	Confident	39 Å²	39	57.3 Å²	57.3	19%	0.192	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-57.1	130.7	175.3	178.3	-179.1	173.8	0	0	111.3	L86 A420 T439	L86-M115 HydrophobicContact CD2-CE 4.33Å; M115-A420 HydrophobicContact CB-CB 3.87Å; M115-T439 HydrophobicContact CB-CG2 4.21Å; M115-T439 HydrophobicContact CG-CG2 4.49Å; M115-T439 HydrophobicContact SD-CG2 4.1Å
116	Q	76.9	Confident	85	Confident	96 Å²	96	55.6 Å²	55.6	45%	0.449	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-88.1	134.1	176.5	-166.9	178.1	18	0	0	111.7	R114 M130	R114-Q116 PolarHBondContact O-N 3.3Å; Q116-M130 HydrophobicContact CG-CE 4.1Å
117	F	74.3	Confident	84.9	Confident	107 Å²	107	48.5 Å²	48.5	47%	0.469	24%	0.239	S	C	.	.			trans	-87.7	112.9	167.3	-62.9	-74.9	0	0	0	109.6	F119 A120 M130	F117-F119 PolarHBondContact O-N 3.21Å; F117-A120 HydrophobicContact CB-CB 4.22Å; F117-A120 WeakPolarHBondContact O-CB 3.39Å; F117-A120 PolarHBondContact O-N 2.97Å; F117-M130 HydrophobicContact CB-CE 4.42Å; F117-M130 HydrophobicContact CD2-CE 4.46Å
118	R	70.4	Confident	85	Confident	148 Å²	148	46.7 Å²	46.7	56%	0.558	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.9	-178	-71.1	-174.9	173.8	-162.6	-1.9	114.3	N238	R118-N238 PolarHBondContact NH1-OD1 3.41Å
119	F	70	Confident	85	Confident	63 Å²	63	49.5 Å²	49.5	28%	0.276	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	3.1	-178.1	-47.8	-66	0	0	0	113.4	F117 F233 A241 R252	F117-F119 PolarHBondContact O-N 3.21Å; F119-F233 AromaticContact CD1-CD1 3.78Å; F119-F233 HydrophobicContact CD1-CD1 3.78Å; F119-F233 AromaticContact CD1-CE1 3.98Å; F119-F233 HydrophobicContact CD1-CE1 3.98Å; F119-F233 HydrophobicContact CD1-CG 4.5Å; F119-F233 HydrophobicContact CE1-CB 4.26Å; F119-F233 AromaticContact CE1-CD1 3.1Å; F119-F233 HydrophobicContact CE1-CD1 3.1Å; F119-F233 AromaticContact CE1-CE1 3.62Å; F119-F233 HydrophobicContact CE1-CE1 3.62Å; F119-F233 AromaticContact CE1-CG 3.95Å; F119-F233 HydrophobicContact CE1-CG 3.95Å; F119-F233 HydrophobicContact CE2-CB 3.84Å; F119-F233 HydrophobicContact CE2-CD1 4.19Å; F119-F233 HydrophobicContact CE2-CG 4.26Å; F119-F233 HydrophobicContact CZ-CB 3.61Å; F119-F233 AromaticContact CZ-CD1 3.35Å; F119-F233 HydrophobicContact CZ-CD1 3.35Å; F119-F233 HydrophobicContact CZ-CE1 4.3Å; F119-F233 AromaticContact CZ-CG 3.81Å; F119-F233 HydrophobicContact CZ-CG 3.81Å; F119-A241 HydrophobicContact CE1-CB 3.94Å; F119-R252 PolarHBondContact O-NH1 3.05Å; F119-R252 PolarHBondContact O-NH2 2.66Å
120	A	75.3	Confident	85	Confident	16 Å²	16	45.7 Å²	45.7	13%	0.132	22%	0.22	C	C	.	.			trans	-62.4	145.6	172.8	0	0	0	0	0	110.7	F117 M124 T125 M130	F117-A120 HydrophobicContact CB-CB 4.22Å; F117-A120 WeakPolarHBondContact O-CB 3.39Å; F117-A120 PolarHBondContact O-N 2.97Å; A120-M124 HydrophobicContact CB-CE 3.57Å; A120-T125 HydrophobicContact CB-CG2 3.82Å; A120-M130 HydrophobicContact CB-CE 3.52Å; A120-M130 HydrophobicContact CB-SD 3.64Å
121	T	76.6	Confident	85.1	Confident	50 Å²	50	44.2 Å²	44.2	31%	0.307	21%	0.209	S	C	.	.			trans	-130	172.6	172.3	60.5	0	0	0	0	108.3	M124 T125 R252 N256	T121-M124 WeakPolarHBondContact O-CB 3.43Å; T121-M124 PolarHBondContact O-N 3.5Å; T121-T125 PolarHBondContact O-N 3.15Å; T121-R252 VanDerWaalsContact CB-CZ 3.49Å; T121-R252 PolarHBondContact OG1-NE 3.37Å; T121-R252 PolarHBondContact OG1-NH2 3.25Å; T121-N256 PolarHBondContact OG1-ND2 2.69Å
122	K	80.4	Confident	85	Confident	97 Å²	97	47.1 Å²	47.1	42%	0.422	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	140.4	160.5	-63.9	-172.3	169.7	-170.5	0	111.3	T125 D126 N256 D339	K122-T125 PolarHBondContact N-OG1 2.82Å; K122-D126 WeakPolarHBondContact CE-OD2 3.27Å; K122-N256 PolarHBondContact O-ND2 3.44Å; K122-N256 VanDerWaalsContact O-ND2 3.08Å; K122-D339 IonicContact NZ-OD1 3.44Å; K122-D339 PolarHBondContact NZ-OD1 3.06Å; K122-D339 IonicContact NZ-OD2 3.4Å; K122-D339 PolarHBondContact NZ-OD2 2.83Å
123	P	81.9	Confident	85	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.026	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.1	-6.6	3	36.2	-34.1	0	0	0	113.9	T125 D126 I260 V342 G343 F346	P123-T125 PolarHBondContact O-N 3.2Å; P123-D126 PolarHBondContact O-N 3.5Å; P123-I260 HydrophobicContact CB-CG1 4.44Å; P123-I260 HydrophobicContact CG-CD1 4.41Å; P123-I260 HydrophobicContact CG-CG1 4.19Å; P123-V342 HydrophobicContact CB-CG1 3.93Å; P123-G343 WeakPolarHBondContact O-CA 3.46Å; P123-F346 HydrophobicContact CB-CB 4.31Å; P123-F346 HydrophobicContact CB-CG 4.49Å; P123-F346 HydrophobicContact CG-CB 3.81Å; P123-F346 HydrophobicContact CG-CD1 3.96Å; P123-F346 HydrophobicContact CG-CD2 3.69Å; P123-F346 HydrophobicContact CG-CE1 4.45Å; P123-F346 HydrophobicContact CG-CE2 4.2Å; P123-F346 HydrophobicContact CG-CG 3.54Å
124	M	81.8	Confident	84.8	Confident	40 Å²	40	55.7 Å²	55.7	20%	0.197	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.4	-37.4	-175.3	-59	-166.1	-48.5	0	0	114.3	A120 T121 D126 C127 M130 F220 F346	A120-M124 HydrophobicContact CB-CE 3.57Å; T121-M124 WeakPolarHBondContact O-CB 3.43Å; T121-M124 PolarHBondContact O-N 3.5Å; M124-D126 PolarHBondContact O-N 3.21Å; M124-D126 VanDerWaalsContact O-N 3.15Å; M124-C127 PolarHBondContact O-N 2.94Å; M124-C127 VanDerWaalsContact O-N 3.14Å; M124-C127 PolarHBondContact O-SG 3.38Å; M124-M130 HydrophobicContact CB-SD 4Å; M124-M130 WeakPolarHBondContact O-CB 3.27Å; M124-M130 WeakPolarHBondContact O-CG 3.45Å; M124-F220 HydrophobicContact CG-CE2 4.36Å; M124-F220 HydrophobicContact SD-CE2 3.5Å; M124-F220 WeakPolarHBondContact SD-CE2 3.49Å; M124-F220 HydrophobicContact SD-CZ 4.06Å; M124-F346 HydrophobicContact CG-CD1 4.34Å; M124-F346 HydrophobicContact CG-CE1 3.73Å; M124-F346 HydrophobicContact CG-CZ 4.5Å
125	T	87.3	Confident	84.8	Confident	40 Å²	40	57.5 Å²	57.5	25%	0.245	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-63.1	-22.3	-176.7	46.1	0	0	0	0	113.4	A120 T121 K122 P123	A120-T125 HydrophobicContact CB-CG2 3.82Å; T121-T125 PolarHBondContact O-N 3.15Å; K122-T125 PolarHBondContact N-OG1 2.82Å; P123-T125 PolarHBondContact O-N 3.2Å
126	D	90.7	Very high	85.2	Confident	14 Å²	14	56.2 Å²	56.2	8%	0.075	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-105	6.5	-178.9	-64.3	-64.6	0	0	0	112.6	K122 P123 M124 R135 D339 E340 Q344	K122-D126 WeakPolarHBondContact CE-OD2 3.27Å; P123-D126 PolarHBondContact O-N 3.5Å; M124-D126 PolarHBondContact O-N 3.21Å; M124-D126 VanDerWaalsContact O-N 3.15Å; D126-R135 IonicContact OD1-CZ 3.67Å; D126-R135 IonicContact OD1-NH1 3.39Å; D126-R135 IonicContact OD1-NH2 3.76Å; D126-R135 PolarHBondContact OD1-NH2 3.1Å; D126-D339 HydrophobicContact CB-CB 4.39Å; D126-E340 HydrophobicContact CB-CG 4.3Å; D126-Q344 PolarHBondContact O-NE2 3.4Å
127	C	91.3	Very high	86	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.034	26%	0.258	C	S	.	.	S	Bend	trans	-85.4	156	176.3	87.8	0	0	0	0	112.9	M124 L129 M130 L131 G343 V347	M124-C127 PolarHBondContact O-N 2.94Å; M124-C127 VanDerWaalsContact O-N 3.14Å; M124-C127 PolarHBondContact O-SG 3.38Å; C127-L129 PolarHBondContact O-N 3.35Å; C127-M130 PolarHBondContact O-N 3.33Å; C127-L131 WeakPolarHBondContact O-CG 3.43Å; C127-L131 PolarHBondContact O-N 3.03Å; C127-G343 WeakPolarHBondContact CB-O 3.37Å; C127-V347 HydrophobicContact CB-CB 3.76Å; C127-V347 HydrophobicContact CB-CG1 3.79Å; C127-V347 HydrophobicContact CB-CG2 4.36Å
128	L	92.1	Very high	86.8	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.058	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.3	-176.2	-170.4	67.4	0	0	0	114.3	V139 R140 L143 Q344 R486 V489	L128-V139 HydrophobicContact CD1-CG1 4.14Å; L128-R140 HydrophobicContact CD1-CB 3.86Å; L128-L143 HydrophobicContact CD1-CD1 4.3Å; L128-L143 HydrophobicContact CD2-CD1 4.11Å; L128-Q344 VanDerWaalsContact CB-OE1 3.26Å; L128-R486 PolarHBondContact O-NH1 3.45Å; L128-V489 HydrophobicContact CD2-CB 4.22Å; L128-V489 HydrophobicContact CD2-CG1 4.02Å
129	L	90.1	Very high	87.8	Confident	79 Å²	79	47.4 Å²	47.4	41%	0.414	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.5	177.6	-62	178.9	0	0	0	112.7	C127 V347	C127-L129 PolarHBondContact O-N 3.35Å; L129-V347 HydrophobicContact CD1-CG2 3.35Å; L129-V347 HydrophobicContact CG-CG2 3.71Å
130	M	91.4	Very high	88.9	Confident	37 Å²	37	45.7 Å²	45.7	18%	0.182	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-18.5	-173.9	-60.8	-157.4	71.1	0	0	114	Q116 F117 A120 M124 C127	Q116-M130 HydrophobicContact CG-CE 4.1Å; F117-M130 HydrophobicContact CB-CE 4.42Å; F117-M130 HydrophobicContact CD2-CE 4.46Å; A120-M130 HydrophobicContact CB-CE 3.52Å; A120-M130 HydrophobicContact CB-SD 3.64Å; M124-M130 HydrophobicContact CB-SD 4Å; M124-M130 WeakPolarHBondContact O-CB 3.27Å; M124-M130 WeakPolarHBondContact O-CG 3.45Å; C127-M130 PolarHBondContact O-N 3.33Å
131	L	93.5	Very high	89.5	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.016	22%	0.219	C	C	.	.			trans	-55.8	149	173.5	-71	177.2	0	0	0	110.9	C127 R135 W136 V139 R486	C127-L131 WeakPolarHBondContact O-CG 3.43Å; C127-L131 PolarHBondContact O-N 3.03Å; L131-R135 HydrophobicContact CD2-CB 4.25Å; L131-W136 HydrophobicContact CB-CB 3.86Å; L131-V139 HydrophobicContact CD1-CB 3.58Å; L131-V139 HydrophobicContact CD1-CG1 3.79Å; L131-V139 HydrophobicContact CD1-CG2 3.54Å; L131-R486 PolarHBondContact O-NH1 2.98Å; L131-R486 PolarHBondContact O-NH2 2.8Å
132	R	92.7	Very high	90	Very high	63 Å²	63	45.2 Å²	45.2	24%	0.238	21%	0.21	C	C	.	.			trans	-123.6	152.5	-173.9	-58.6	-174.7	70.8	97	-4.7	111.9	N113 E134 R135 W136 E422 D424	N113-R132 PolarHBondContact ND2-NH2 2.75Å; N113-R132 VanDerWaalsContact OD1-CA 3.23Å; N113-R132 WeakPolarHBondContact OD1-CA 3.31Å; N113-R132 WeakPolarHBondContact OD1-CB 3.25Å; R132-E134 PolarHBondContact O-N 3.23Å; R132-R135 PolarHBondContact O-N 3.21Å; R132-R135 VanDerWaalsContact O-N 3.12Å; R132-W136 PolarHBondContact O-N 3.1Å; R132-W136 VanDerWaalsContact O-N 3.09Å; R132-E422 IonicContact CZ-OE2 2.87Å; R132-E422 IonicContact NH1-OE2 2.62Å; R132-E422 PolarHBondContact NH1-OE2 2.9Å; R132-E422 IonicContact NH2-OE2 3.58Å; R132-E422 PolarHBondContact NH2-OE2 3.47Å; R132-D424 IonicContact NH2-OD1 3.15Å; R132-D424 PolarHBondContact NH2-OD1 3.25Å; R132-D424 IonicContact NH2-OD2 3.16Å; R132-D424 PolarHBondContact NH2-OD2 3.29Å
133	N	93.3	Very high	90.3	Very high	77 Å²	77	40.7 Å²	40.7	41%	0.412	19%	0.191	S	C	.	.	H	α-helix	trans	45.7	-130.5	169.2	-55.1	-31.9	0	0	0	112.7	N113 R135 W136 K137	N113-N133 PolarHBondContact ND2-OD1 2.9Å; N113-N133 PolarHBondContact OD1-N 2.86Å; N113-N133 PolarHBondContact OD1-OD1 2.96Å; N133-R135 VanDerWaalsContact C-N 3.31Å; N133-R135 PolarHBondContact O-N 3.39Å; N133-W136 WeakPolarHBondContact O-CB 3.45Å; N133-W136 PolarHBondContact O-N 2.6Å; N133-W136 VanDerWaalsContact O-N 3.1Å; N133-K137 PolarHBondContact O-N 3.1Å
134	E	91.7	Very high	90.5	Very high	116 Å²	116	43.5 Å²	43.5	54%	0.542	21%	0.208	S	C	.	.	H	α-helix	trans	-61.4	-32.1	-178.2	-62.9	-51.6	126.5	0	0	113.9	R132 K137 R138	R132-E134 PolarHBondContact O-N 3.23Å; E134-K137 PolarHBondContact O-N 2.73Å; E134-K137 WeakPolarHBondContact OE1-CD 3.47Å; E134-K137 WeakPolarHBondContact OE1-CE 3.4Å; E134-K137 IonicContact OE1-NZ 2.77Å; E134-K137 PolarHBondContact OE1-NZ 2.75Å; E134-R138 VanDerWaalsContact O-CB 3.24Å; E134-R138 WeakPolarHBondContact O-CB 3.48Å; E134-R138 PolarHBondContact O-N 2.77Å
135	R	92.9	Very high	90.7	Very high	103 Å²	103	44.5 Å²	44.5	39%	0.389	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-44.1	173.7	-69.6	-175.1	65.8	-165.5	-2.4	110.8	D126 L131 R132 N133 V139 E340	D126-R135 IonicContact OD1-CZ 3.67Å; D126-R135 IonicContact OD1-NH1 3.39Å; D126-R135 IonicContact OD1-NH2 3.76Å; D126-R135 PolarHBondContact OD1-NH2 3.1Å; L131-R135 HydrophobicContact CD2-CB 4.25Å; R132-R135 PolarHBondContact O-N 3.21Å; R132-R135 VanDerWaalsContact O-N 3.12Å; N133-R135 VanDerWaalsContact C-N 3.31Å; N133-R135 PolarHBondContact O-N 3.39Å; R135-V139 WeakPolarHBondContact O-CG2 3.49Å; R135-V139 PolarHBondContact O-N 3.23Å; R135-E340 IonicContact CZ-OE1 3.42Å; R135-E340 IonicContact NE-OE1 2.75Å; R135-E340 PolarHBondContact NE-OE1 3.19Å; R135-E340 VanDerWaalsContact NE-OE1 3.16Å; R135-E340 IonicContact NH2-OE1 3.81Å; R135-E340 PolarHBondContact NH2-OE1 2.97Å
136	W	94.8	Very high	90.5	Very high	11 Å²	11	42.8 Å²	42.8	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-48.2	175	169	76.1	0	0	0	111.6	F108 L131 R132 N133 R138 V139 R140 P485 R486	F108-W136 HydrophobicContact CE1-CH2 4.22Å; F108-W136 AromaticContact CE1-CZ3 3.93Å; F108-W136 HydrophobicContact CE1-CZ3 3.93Å; F108-W136 AromaticContact CZ-CH2 3.75Å; F108-W136 HydrophobicContact CZ-CH2 3.75Å; F108-W136 AromaticContact CZ-CZ3 3.71Å; F108-W136 HydrophobicContact CZ-CZ3 3.71Å; L131-W136 HydrophobicContact CB-CB 3.86Å; R132-W136 PolarHBondContact O-N 3.1Å; R132-W136 VanDerWaalsContact O-N 3.09Å; N133-W136 WeakPolarHBondContact O-CB 3.45Å; N133-W136 PolarHBondContact O-N 2.6Å; N133-W136 VanDerWaalsContact O-N 3.1Å; W136-R138 VanDerWaalsContact C-N 3.33Å; W136-R138 PolarHBondContact O-N 2.76Å; W136-V139 PolarHBondContact O-N 2.8Å; W136-R140 HydrophobicContact CZ2-CB 4.2Å; W136-R140 HydrophobicContact CZ2-CG 3.95Å; W136-R140 WeakPolarHBondContact O-CB 3.27Å; W136-R140 PolarHBondContact O-N 2.92Å; W136-P485 HydrophobicContact CH2-CB 3.85Å; W136-P485 WeakPolarHBondContact CH2-O 3.41Å; W136-P485 VanDerWaalsContact CZ2-O 3.22Å; W136-P485 WeakPolarHBondContact CZ2-O 3.23Å; W136-R486 VanDerWaalsContact CE2-CD 3.42Å; W136-R486 VanDerWaalsContact CE2-NE 3.33Å; W136-R486 HydrophobicContact CH2-CG 3.98Å; W136-R486 HydrophobicContact CZ2-CB 4.42Å; W136-R486 HydrophobicContact CZ2-CG 3.58Å
137	K	92.9	Very high	90.3	Very high	90 Å²	90	42.7 Å²	42.7	39%	0.391	21%	0.206	S	C	.	.	H	α-helix	trans	-57.1	-47.3	178.6	-69.6	-178.5	-172.4	166.1	0	111.2	N133 E134 S141	N133-K137 PolarHBondContact O-N 3.1Å; E134-K137 PolarHBondContact O-N 2.73Å; E134-K137 WeakPolarHBondContact OE1-CD 3.47Å; E134-K137 WeakPolarHBondContact OE1-CE 3.4Å; E134-K137 IonicContact OE1-NZ 2.77Å; E134-K137 PolarHBondContact OE1-NZ 2.75Å; K137-S141 WeakPolarHBondContact O-CB 3.41Å; K137-S141 PolarHBondContact O-N 3.43Å; K137-S141 PolarHBondContact O-OG 3.25Å
138	R	91.8	Very high	90.1	Very high	76 Å²	76	44.3 Å²	44.3	29%	0.287	22%	0.218	S	C	.	.	H	α-helix	trans	-56.4	-59.2	177	-178.1	-176.3	69.6	-139.8	4.7	110.9	E134 W136 R140 S141 I142 E340	E134-R138 VanDerWaalsContact O-CB 3.24Å; E134-R138 WeakPolarHBondContact O-CB 3.48Å; E134-R138 PolarHBondContact O-N 2.77Å; W136-R138 VanDerWaalsContact C-N 3.33Å; W136-R138 PolarHBondContact O-N 2.76Å; R138-R140 PolarHBondContact O-N 3.38Å; R138-S141 PolarHBondContact O-N 2.94Å; R138-S141 PolarHBondContact O-OG 3.49Å; R138-I142 HydrophobicContact CG-CD1 4.02Å; R138-I142 WeakPolarHBondContact O-CG1 3.36Å; R138-I142 PolarHBondContact O-N 3.04Å; R138-I142 VanDerWaalsContact O-N 3.13Å; R138-E340 IonicContact NH2-OE1 2.77Å; R138-E340 PolarHBondContact NH2-OE1 2.66Å; R138-E340 IonicContact NH2-OE2 2.86Å; R138-E340 PolarHBondContact NH2-OE2 2.87Å; R138-E340 VanDerWaalsContact NH2-OE2 3.15Å
139	V	91.3	Very high	90	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-40.8	-176.4	174.9	0	0	0	0	111.4	L128 L131 R135 W136 S141 I142 L143 M336 Q344	L128-V139 HydrophobicContact CD1-CG1 4.14Å; L131-V139 HydrophobicContact CD1-CB 3.58Å; L131-V139 HydrophobicContact CD1-CG1 3.79Å; L131-V139 HydrophobicContact CD1-CG2 3.54Å; R135-V139 WeakPolarHBondContact O-CG2 3.49Å; R135-V139 PolarHBondContact O-N 3.23Å; W136-V139 PolarHBondContact O-N 2.8Å; V139-S141 VanDerWaalsContact C-N 3.32Å; V139-S141 PolarHBondContact O-N 3.32Å; V139-I142 PolarHBondContact O-N 3.28Å; V139-L143 HydrophobicContact CG1-CD1 3.68Å; V139-L143 HydrophobicContact CG1-CG 4.22Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.42Å; V139-L143 PolarHBondContact O-N 2.87Å; V139-M336 HydrophobicContact CG1-SD 4.08Å; V139-M336 HydrophobicContact CG2-CG 4.29Å; V139-M336 HydrophobicContact CG2-SD 4.48Å; V139-Q344 HydrophobicContact CG1-CG 4.18Å
140	R	92.4	Very high	89.8	Confident	28 Å²	28	44.6 Å²	44.6	11%	0.106	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-44.6	174.4	-176.6	61.8	-174.6	-132	-6.3	111.7	L128 W136 R138 I142 L143 T144 N487	L128-R140 HydrophobicContact CD1-CB 3.86Å; W136-R140 HydrophobicContact CZ2-CB 4.2Å; W136-R140 HydrophobicContact CZ2-CG 3.95Å; W136-R140 WeakPolarHBondContact O-CB 3.27Å; W136-R140 PolarHBondContact O-N 2.92Å; R138-R140 PolarHBondContact O-N 3.38Å; R140-I142 VanDerWaalsContact C-N 3.28Å; R140-I142 PolarHBondContact O-N 3.3Å; R140-L143 PolarHBondContact O-N 3.36Å; R140-T144 PolarHBondContact NE-OG1 2.96Å; R140-T144 WeakPolarHBondContact O-CB 3.4Å; R140-T144 PolarHBondContact O-N 2.8Å; R140-T144 PolarHBondContact O-OG1 3.36Å; R140-N487 PolarHBondContact NH1-O 3.36Å; R140-N487 PolarHBondContact NH2-O 2.8Å; R140-N487 PolarHBondContact NH2-OD1 2.8Å
141	S	88.8	Confident	89.5	Confident	31 Å²	31	44.4 Å²	44.4	22%	0.217	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-33.9	179.8	76.4	0	0	0	0	112.6	K137 R138 V139 P145	K137-S141 WeakPolarHBondContact O-CB 3.41Å; K137-S141 PolarHBondContact O-N 3.43Å; K137-S141 PolarHBondContact O-OG 3.25Å; R138-S141 PolarHBondContact O-N 2.94Å; R138-S141 PolarHBondContact O-OG 3.49Å; V139-S141 VanDerWaalsContact C-N 3.32Å; V139-S141 PolarHBondContact O-N 3.32Å; S141-P145 VanDerWaalsContact O-CD 3.27Å; S141-P145 WeakPolarHBondContact O-CD 3.43Å
142	I	86.1	Confident	89.4	Confident	25 Å²	25	44.3 Å²	44.3	13%	0.128	23%	0.23	C	C	.	.	H	α-helix	trans	-74.2	-38.3	178.3	-62.4	166.3	0	0	0	111	R138 V139 R140 P145 A289 K334 M336	R138-I142 HydrophobicContact CG-CD1 4.02Å; R138-I142 WeakPolarHBondContact O-CG1 3.36Å; R138-I142 PolarHBondContact O-N 3.04Å; R138-I142 VanDerWaalsContact O-N 3.13Å; V139-I142 PolarHBondContact O-N 3.28Å; R140-I142 VanDerWaalsContact C-N 3.28Å; R140-I142 PolarHBondContact O-N 3.3Å; I142-P145 WeakPolarHBondContact O-CD 3.47Å; I142-A289 HydrophobicContact CG2-CB 3.25Å; I142-K334 HydrophobicContact CD1-CB 4.25Å; I142-K334 HydrophobicContact CG1-CB 4.38Å; I142-M336 HydrophobicContact CB-CE 4.05Å; I142-M336 HydrophobicContact CD1-CG 3.88Å; I142-M336 HydrophobicContact CG2-CE 3.3Å
143	L	86.8	Confident	89.3	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-81.2	-30.6	-175.6	-64.2	171.6	0	0	0	113.9	L128 V139 R140 S146 M286 M336 Q344 F348	L128-L143 HydrophobicContact CD1-CD1 4.3Å; L128-L143 HydrophobicContact CD2-CD1 4.11Å; V139-L143 HydrophobicContact CG1-CD1 3.68Å; V139-L143 HydrophobicContact CG1-CG 4.22Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.42Å; V139-L143 PolarHBondContact O-N 2.87Å; R140-L143 PolarHBondContact O-N 3.36Å; L143-S146 WeakPolarHBondContact O-CB 3.21Å; L143-S146 PolarHBondContact O-N 2.92Å; L143-S146 PolarHBondContact O-OG 3.46Å; L143-M286 HydrophobicContact CD2-CG 3.7Å; L143-M286 HydrophobicContact CD2-SD 3.76Å; L143-M336 HydrophobicContact CD2-CE 4Å; L143-Q344 HydrophobicContact CD1-CG 3.84Å; L143-Q344 HydrophobicContact CD2-CG 4.28Å; L143-F348 HydrophobicContact CB-CZ 4.45Å; L143-F348 HydrophobicContact CD1-CZ 3.93Å; L143-F348 HydrophobicContact CD2-CE2 4.3Å; L143-F348 HydrophobicContact CD2-CZ 4.29Å; L143-F348 HydrophobicContact CG-CZ 4.45Å
144	T	87.6	Confident	89	Confident	64 Å²	64	47.4 Å²	47.4	39%	0.393	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-55.8	-42.5	-173.7	-60.5	0	0	0	0	113.6	R140 S146 F147	R140-T144 PolarHBondContact NE-OG1 2.96Å; R140-T144 WeakPolarHBondContact O-CB 3.4Å; R140-T144 PolarHBondContact O-N 2.8Å; R140-T144 PolarHBondContact O-OG1 3.36Å; T144-S146 PolarHBondContact O-N 3Å; T144-S146 VanDerWaalsContact O-N 3.11Å; T144-F147 PolarHBondContact O-N 3.41Å
145	P	84.8	Confident	88.9	Confident	60 Å²	60	42.4 Å²	42.4	39%	0.39	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.9	-24.5	175.7	-27	35.9	0	0	0	114.9	S141 I142 F147 S148	S141-P145 VanDerWaalsContact O-CD 3.27Å; S141-P145 WeakPolarHBondContact O-CD 3.43Å; I142-P145 WeakPolarHBondContact O-CD 3.47Å; P145-F147 PolarHBondContact O-N 3.42Å; P145-S148 VanDerWaalsContact O-CB 3.25Å; P145-S148 WeakPolarHBondContact O-CB 3.39Å; P145-S148 PolarHBondContact O-N 2.87Å; P145-S148 VanDerWaalsContact O-N 3.12Å; P145-S148 PolarHBondContact O-OG 3.28Å
146	S	82.9	Confident	88.9	Confident	4 Å²	4	38.1 Å²	38.1	3%	0.028	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-67.3	-16.1	177.8	-50.9	0	0	0	0	112.6	L143 T144 K151 L285	L143-S146 WeakPolarHBondContact O-CB 3.21Å; L143-S146 PolarHBondContact O-N 2.92Å; L143-S146 PolarHBondContact O-OG 3.46Å; T144-S146 PolarHBondContact O-N 3Å; T144-S146 VanDerWaalsContact O-N 3.11Å; S146-K151 VanDerWaalsContact O-CB 3.3Å; S146-K151 WeakPolarHBondContact O-CB 3.36Å; S146-L285 VanDerWaalsContact OG-CD1 3.27Å; S146-L285 WeakPolarHBondContact OG-CD1 3.38Å
147	F	86.7	Confident	88.9	Confident	12 Å²	12	41.2 Å²	41.2	5%	0.053	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-106.4	20.8	175.7	-61	-85.9	0	0	0	113	T144 P145 M152 F282 F348 V489 R492 L493	T144-F147 PolarHBondContact O-N 3.41Å; P145-F147 PolarHBondContact O-N 3.42Å; F147-M152 HydrophobicContact CB-CE 4.49Å; F147-M152 HydrophobicContact CD1-CE 4.3Å; F147-F282 AromaticContact CD1-CE1 3.94Å; F147-F282 HydrophobicContact CD1-CE1 3.94Å; F147-F282 AromaticContact CD1-CZ 3.57Å; F147-F282 HydrophobicContact CD1-CZ 3.57Å; F147-F282 AromaticContact CD2-CE1 3.79Å; F147-F282 HydrophobicContact CD2-CE1 3.79Å; F147-F282 HydrophobicContact CD2-CZ 4.28Å; F147-F282 AromaticContact CE1-CE1 3.55Å; F147-F282 HydrophobicContact CE1-CE1 3.55Å; F147-F282 HydrophobicContact CE1-CE2 4.24Å; F147-F282 AromaticContact CE1-CZ 3.22Å; F147-F282 HydrophobicContact CE1-CZ 3.22Å; F147-F282 HydrophobicContact CE2-CD1 4.31Å; F147-F282 AromaticContact CE2-CE1 3.39Å; F147-F282 HydrophobicContact CE2-CE1 3.39Å; F147-F282 HydrophobicContact CE2-CZ 4Å; F147-F282 HydrophobicContact CG-CE1 4.06Å; F147-F282 HydrophobicContact CG-CZ 4.1Å; F147-F282 HydrophobicContact CZ-CD1 4.23Å; F147-F282 AromaticContact CZ-CE1 3.25Å; F147-F282 HydrophobicContact CZ-CE1 3.25Å; F147-F282 AromaticContact CZ-CZ 3.47Å; F147-F282 HydrophobicContact CZ-CZ 3.47Å; F147-F282 VanDerWaalsContact CZ-CZ 3.47Å; F147-F348 HydrophobicContact CE2-CE1 4.46Å; F147-F348 HydrophobicContact CE2-CE2 4.12Å; F147-F348 AromaticContact CE2-CZ 3.75Å; F147-F348 HydrophobicContact CE2-CZ 3.75Å; F147-F348 HydrophobicContact CZ-CE1 4.3Å; F147-F348 HydrophobicContact CZ-CE2 4.02Å; F147-F348 AromaticContact CZ-CZ 3.84Å; F147-F348 HydrophobicContact CZ-CZ 3.84Å; F147-V489 HydrophobicContact CD2-CG2 3.66Å; F147-V489 HydrophobicContact CE2-CB 4.26Å; F147-V489 HydrophobicContact CE2-CG1 3.83Å; F147-V489 HydrophobicContact CE2-CG2 3.64Å; F147-V489 WeakPolarHBondContact CG-O 3.29Å; F147-V489 HydrophobicContact CZ-CG1 4.06Å; F147-R492 WeakPolarHBondContact O-CD 3.22Å; F147-R492 PolarHBondContact O-NE 2.95Å; F147-R492 PolarHBondContact O-NH1 3.31Å; F147-L493 HydrophobicContact CD1-CB 4.12Å; F147-L493 HydrophobicContact CE1-CB 4.2Å; F147-L493 HydrophobicContact CE1-CD2 4.09Å
148	S	87.6	Confident	88.8	Confident	40 Å²	40	38.8 Å²	38.8	28%	0.28	22%	0.218	S	C	.	.	S	Bend	trans	-70.7	162.3	175.8	63.6	0	0	0	0	112.6	P145 A150 K151 M152	P145-S148 VanDerWaalsContact O-CB 3.25Å; P145-S148 WeakPolarHBondContact O-CB 3.39Å; P145-S148 PolarHBondContact O-N 2.87Å; P145-S148 VanDerWaalsContact O-N 3.12Å; P145-S148 PolarHBondContact O-OG 3.28Å; S148-A150 VanDerWaalsContact C-N 3.28Å; S148-A150 PolarHBondContact O-N 2.83Å; S148-K151 PolarHBondContact O-N 3.4Å; S148-K151 VanDerWaalsContact O-N 3.09Å; S148-K151 WeakPolarHBondContact OG-CG 3.19Å; S148-M152 WeakPolarHBondContact O-CG 3.28Å; S148-M152 PolarHBondContact O-N 3.43Å
149	A	88.9	Confident	89	Confident	36 Å²	36	35.2 Å²	35.2	30%	0.298	20%	0.204	S	C	.	.	H	α-helix	trans	-55.3	-42.5	179	0	0	0	0	0	112.6	K151 M152 K153 Y393 R492	A149-K151 VanDerWaalsContact C-N 3.34Å; A149-K151 PolarHBondContact O-N 2.87Å; A149-M152 PolarHBondContact O-N 3.42Å; A149-K153 WeakPolarHBondContact O-CG 3.24Å; A149-K153 PolarHBondContact O-N 2.62Å; A149-Y393 HydrophobicContact CB-CE1 3.76Å; A149-R492 VanDerWaalsContact CA-NH2 3.32Å; A149-R492 VanDerWaalsContact CB-NH2 3.35Å
150	A	87.1	Confident	89.2	Confident	59 Å²	59	36 Å²	36	49%	0.488	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-43.7	178.1	0	0	0	0	0	111.4	S148 K153 E154	S148-A150 VanDerWaalsContact C-N 3.28Å; S148-A150 PolarHBondContact O-N 2.83Å; A150-K153 WeakPolarHBondContact O-CB 3.41Å; A150-K153 PolarHBondContact O-N 3.27Å; A150-E154 PolarHBondContact O-N 2.94Å; A150-E154 VanDerWaalsContact O-N 3.12Å
151	K	85.5	Confident	89.4	Confident	34 Å²	34	38.7 Å²	38.7	15%	0.148	23%	0.228	C	C	.	.	H	α-helix	trans	-68.8	-36.4	176.7	-66.3	-49.3	-174	-169.7	0	113.2	S146 S148 A149 K153 E154 M155	S146-K151 VanDerWaalsContact O-CB 3.3Å; S146-K151 WeakPolarHBondContact O-CB 3.36Å; S148-K151 PolarHBondContact O-N 3.4Å; S148-K151 VanDerWaalsContact O-N 3.09Å; S148-K151 WeakPolarHBondContact OG-CG 3.19Å; A149-K151 VanDerWaalsContact C-N 3.34Å; A149-K151 PolarHBondContact O-N 2.87Å; K151-K153 VanDerWaalsContact C-N 3.33Å; K151-K153 PolarHBondContact O-N 3.38Å; K151-E154 WeakPolarHBondContact CD-OE2 3Å; K151-E154 IonicContact NZ-OE1 3.37Å; K151-E154 PolarHBondContact NZ-OE1 2.71Å; K151-E154 IonicContact NZ-OE2 2.81Å; K151-E154 PolarHBondContact NZ-OE2 2.96Å; K151-E154 PolarHBondContact O-N 3.39Å; K151-M155 HydrophobicContact CB-CE 4.18Å; K151-M155 VanDerWaalsContact O-CG 3.3Å; K151-M155 WeakPolarHBondContact O-CG 3.46Å; K151-M155 PolarHBondContact O-N 2.98Å; K151-M155 VanDerWaalsContact O-N 3.15Å
152	M	90.1	Very high	89.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-44.4	172.3	-63.6	-56.7	86.2	0	0	111.4	F147 S148 A149 E154 M155 V156 Y393 R492 L493 L496	F147-M152 HydrophobicContact CB-CE 4.49Å; F147-M152 HydrophobicContact CD1-CE 4.3Å; S148-M152 WeakPolarHBondContact O-CG 3.28Å; S148-M152 PolarHBondContact O-N 3.43Å; A149-M152 PolarHBondContact O-N 3.42Å; M152-E154 VanDerWaalsContact C-N 3.35Å; M152-E154 PolarHBondContact O-N 3.22Å; M152-M155 HydrophobicContact CE-CE 4Å; M152-M155 HydrophobicContact CE-SD 3.53Å; M152-M155 VanDerWaalsContact CE-SD 3.53Å; M152-M155 PolarHBondContact O-N 2.93Å; M152-M155 VanDerWaalsContact O-N 3.09Å; M152-V156 WeakPolarHBondContact O-CG2 3.25Å; M152-V156 PolarHBondContact O-N 3.32Å; M152-Y393 HydrophobicContact CB-CD2 3.3Å; M152-Y393 HydrophobicContact CB-CE2 3.49Å; M152-Y393 VanDerWaalsContact CB-CE2 3.49Å; M152-Y393 HydrophobicContact CB-CG 4.03Å; M152-Y393 HydrophobicContact CG-CD2 4.07Å; M152-Y393 HydrophobicContact CG-CE2 3.78Å; M152-R492 HydrophobicContact CG-CB 4.47Å; M152-R492 HydrophobicContact SD-CB 4.19Å; M152-L493 HydrophobicContact CE-CB 4.43Å; M152-L493 HydrophobicContact SD-CB 3.96Å; M152-L493 HydrophobicContact SD-CD1 4.35Å; M152-L496 HydrophobicContact CB-CD2 4.03Å; M152-L496 HydrophobicContact SD-CD2 4.48Å
153	K	90.8	Very high	90.2	Very high	116 Å²	116	36.5 Å²	36.5	50%	0.504	22%	0.215	S	C	.	.	H	α-helix	trans	-58.8	-42.5	175	-72.6	177.7	178.2	-169.4	0	112.7	A149 A150 K151 M155 V156 Y393	A149-K153 WeakPolarHBondContact O-CG 3.24Å; A149-K153 PolarHBondContact O-N 2.62Å; A150-K153 WeakPolarHBondContact O-CB 3.41Å; A150-K153 PolarHBondContact O-N 3.27Å; K151-K153 VanDerWaalsContact C-N 3.33Å; K151-K153 PolarHBondContact O-N 3.38Å; K153-M155 PolarHBondContact O-N 2.91Å; K153-V156 PolarHBondContact O-N 3.08Å; K153-Y393 HydrophobicContact CD-CD1 4.29Å; K153-Y393 HydrophobicContact CG-CD1 3.68Å; K153-Y393 HydrophobicContact CG-CG 3.91Å
154	E	87.1	Confident	90.6	Very high	89 Å²	89	40 Å²	40	42%	0.416	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-28.9	176.1	-70.8	174.6	-154.5	0	0	112.7	A150 K151 M152	A150-E154 PolarHBondContact O-N 2.94Å; A150-E154 VanDerWaalsContact O-N 3.12Å; K151-E154 WeakPolarHBondContact CD-OE2 3Å; K151-E154 IonicContact NZ-OE1 3.37Å; K151-E154 PolarHBondContact NZ-OE1 2.71Å; K151-E154 IonicContact NZ-OE2 2.81Å; K151-E154 PolarHBondContact NZ-OE2 2.96Å; K151-E154 PolarHBondContact O-N 3.39Å; M152-E154 VanDerWaalsContact C-N 3.35Å; M152-E154 PolarHBondContact O-N 3.22Å
155	M	90.1	Very high	91.1	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.059	23%	0.227	C	C	.	.	H	α-helix	trans	-84.8	-22.4	-178.2	-67.2	170.1	-164.9	0	0	113.7	K151 M152 K153 P157 L158 I159 V197 F282 L493	K151-M155 HydrophobicContact CB-CE 4.18Å; K151-M155 VanDerWaalsContact O-CG 3.3Å; K151-M155 WeakPolarHBondContact O-CG 3.46Å; K151-M155 PolarHBondContact O-N 2.98Å; K151-M155 VanDerWaalsContact O-N 3.15Å; M152-M155 HydrophobicContact CE-CE 4Å; M152-M155 HydrophobicContact CE-SD 3.53Å; M152-M155 VanDerWaalsContact CE-SD 3.53Å; M152-M155 PolarHBondContact O-N 2.93Å; M152-M155 VanDerWaalsContact O-N 3.09Å; K153-M155 PolarHBondContact O-N 2.91Å; M155-P157 VanDerWaalsContact C-CD 3.49Å; M155-L158 WeakPolarHBondContact O-CB 3.44Å; M155-L158 PolarHBondContact O-N 3.15Å; M155-I159 HydrophobicContact CB-CD1 4.3Å; M155-I159 PolarHBondContact O-N 3.29Å; M155-I159 VanDerWaalsContact O-N 3.15Å; M155-V197 HydrophobicContact CB-CG1 4.05Å; M155-V197 HydrophobicContact CG-CB 4.1Å; M155-V197 HydrophobicContact CG-CG1 4.18Å; M155-V197 HydrophobicContact SD-CB 4.19Å; M155-F282 HydrophobicContact CE-CD2 3.78Å; M155-F282 HydrophobicContact CE-CE2 3.18Å; M155-F282 HydrophobicContact CE-CZ 3.6Å; M155-F282 HydrophobicContact SD-CE2 3.72Å; M155-F282 HydrophobicContact SD-CZ 4.27Å; M155-L493 HydrophobicContact SD-CD1 4.09Å
156	V	93.6	Very high	91.7	Very high	13 Å²	13	35.6 Å²	35.6	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-49.6	-46.5	-176.4	165.7	0	0	0	0	113.6	M152 K153 L158 I159 N160 D392 L496	M152-V156 WeakPolarHBondContact O-CG2 3.25Å; M152-V156 PolarHBondContact O-N 3.32Å; K153-V156 PolarHBondContact O-N 3.08Å; V156-L158 PolarHBondContact O-N 2.76Å; V156-I159 PolarHBondContact O-N 3.14Å; V156-N160 VanDerWaalsContact CG1-ND2 3.31Å; V156-N160 WeakPolarHBondContact CG1-ND2 3.45Å; V156-N160 PolarHBondContact O-N 3.29Å; V156-N160 PolarHBondContact O-ND2 2.85Å; V156-D392 HydrophobicContact CG1-CB 4Å; V156-L496 HydrophobicContact CG2-CD2 4.12Å
157	P	93.2	Very high	92.4	Very high	76 Å²	76	35.4 Å²	35.4	49%	0.494	21%	0.208	S	C	.	.	H	α-helix	trans	-60	-33.8	-179.9	-25.2	35.7	0	0	0	113.3	M155 T161	M155-P157 VanDerWaalsContact C-CD 3.49Å; P157-T161 WeakPolarHBondContact O-CB 3.41Å; P157-T161 PolarHBondContact O-N 3.4Å; P157-T161 PolarHBondContact O-OG1 3.45Å
158	L	92.6	Very high	92.8	Very high	39 Å²	39	41.5 Å²	41.5	20%	0.204	23%	0.234	C	C	.	.	H	α-helix	trans	-73.1	-40.5	179.4	-52.2	178.6	0	0	0	111.2	M155 V156 T161 A162 V197	M155-L158 WeakPolarHBondContact O-CB 3.44Å; M155-L158 PolarHBondContact O-N 3.15Å; V156-L158 PolarHBondContact O-N 2.76Å; L158-T161 PolarHBondContact O-N 2.76Å; L158-A162 PolarHBondContact O-N 2.83Å; L158-A162 VanDerWaalsContact O-N 3.11Å; L158-V197 HydrophobicContact CB-CG1 4Å; L158-V197 HydrophobicContact CD1-CG1 4.08Å
159	I	95.3	Very high	93.2	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-47	175.3	-61.4	168.8	0	0	0	109.9	M155 V156 T161 A162 A163 V193 V197 L493 L496 E497 I500	M155-I159 HydrophobicContact CB-CD1 4.3Å; M155-I159 PolarHBondContact O-N 3.29Å; M155-I159 VanDerWaalsContact O-N 3.15Å; V156-I159 PolarHBondContact O-N 3.14Å; I159-T161 PolarHBondContact O-N 3.46Å; I159-A162 PolarHBondContact O-N 3.3Å; I159-A163 WeakPolarHBondContact O-CB 3.39Å; I159-A163 PolarHBondContact O-N 3.18Å; I159-V193 HydrophobicContact CG1-CG1 3.93Å; I159-V197 HydrophobicContact CG1-CG1 4.33Å; I159-L493 HydrophobicContact CD1-CD1 4.07Å; I159-L496 HydrophobicContact CD1-CD2 3.85Å; I159-L496 HydrophobicContact CD1-CG 4.15Å; I159-E497 HydrophobicContact CD1-CB 4.37Å; I159-E497 HydrophobicContact CG2-CB 3.92Å; I159-I500 HydrophobicContact CB-CD1 4.48Å; I159-I500 HydrophobicContact CG2-CB 4.14Å; I159-I500 HydrophobicContact CG2-CD1 3.96Å; I159-I500 HydrophobicContact CG2-CG2 4Å
160	N	96.1	Very high	93.6	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-41.6	177.4	-85.1	-50.4	0	0	0	112.1	V156 A162 A163 D164 S390 P391 I500 H504	V156-N160 VanDerWaalsContact CG1-ND2 3.31Å; V156-N160 WeakPolarHBondContact CG1-ND2 3.45Å; V156-N160 PolarHBondContact O-N 3.29Å; V156-N160 PolarHBondContact O-ND2 2.85Å; N160-A162 VanDerWaalsContact C-N 3.31Å; N160-A162 PolarHBondContact O-N 3.49Å; N160-A163 CarbonylContact O-C 3.5Å; N160-A163 WeakPolarHBondContact O-CB 3.47Å; N160-A163 PolarHBondContact O-N 3.11Å; N160-D164 PolarHBondContact O-N 3.49Å; N160-S390 PolarHBondContact OD1-OG 3.08Å; N160-P391 PolarHBondContact ND2-O 2.78Å; N160-I500 WeakPolarHBondContact OD1-CG2 3.07Å; N160-H504 PolarHBondContact OD1-NE2 3.02Å
161	T	94.9	Very high	94	Very high	85 Å²	85	39.8 Å²	39.8	52%	0.521	21%	0.207	S	C	.	.	H	α-helix	trans	-57	-45.5	174.9	-57.4	0	0	0	0	111.6	P157 L158 I159 A163 D164 A165	P157-T161 WeakPolarHBondContact O-CB 3.41Å; P157-T161 PolarHBondContact O-N 3.4Å; P157-T161 PolarHBondContact O-OG1 3.45Å; L158-T161 PolarHBondContact O-N 2.76Å; I159-T161 PolarHBondContact O-N 3.46Å; T161-A163 VanDerWaalsContact C-N 3.33Å; T161-D164 PolarHBondContact O-N 3.13Å; T161-A165 PolarHBondContact O-N 3.45Å
162	A	95.8	Very high	94.5	Very high	9 Å²	9	42.7 Å²	42.7	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-34.8	176.8	0	0	0	0	0	112.1	L158 I159 N160 A165 L166 F189 D192 V193 Q206	L158-A162 PolarHBondContact O-N 2.83Å; L158-A162 VanDerWaalsContact O-N 3.11Å; I159-A162 PolarHBondContact O-N 3.3Å; N160-A162 VanDerWaalsContact C-N 3.31Å; N160-A162 PolarHBondContact O-N 3.49Å; A162-A165 PolarHBondContact O-N 2.91Å; A162-L166 PolarHBondContact O-N 3.42Å; A162-F189 HydrophobicContact CB-CD2 3.9Å; A162-F189 HydrophobicContact CB-CE2 3.77Å; A162-F189 WeakPolarHBondContact O-CD2 3.16Å; A162-D192 HydrophobicContact CB-CB 4.45Å; A162-V193 HydrophobicContact CB-CG2 3.56Å; A162-Q206 PolarHBondContact O-NE2 3.49Å
163	A	97.1	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.5	-38.3	177.9	0	0	0	0	0	111.8	I159 N160 T161 A165 L166 M167 F189 I500	I159-A163 WeakPolarHBondContact O-CB 3.39Å; I159-A163 PolarHBondContact O-N 3.18Å; N160-A163 CarbonylContact O-C 3.5Å; N160-A163 WeakPolarHBondContact O-CB 3.47Å; N160-A163 PolarHBondContact O-N 3.11Å; T161-A163 VanDerWaalsContact C-N 3.33Å; A163-A165 VanDerWaalsContact C-N 3.35Å; A163-L166 WeakPolarHBondContact O-CB 3.3Å; A163-L166 PolarHBondContact O-N 2.97Å; A163-M167 WeakPolarHBondContact O-CG 3.32Å; A163-M167 PolarHBondContact O-N 2.74Å; A163-F189 HydrophobicContact CB-CE2 4.03Å; A163-I500 HydrophobicContact CB-CG2 4.34Å
164	D	96.2	Very high	95	Very high	75 Å²	75	40.3 Å²	40.3	40%	0.401	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-41.9	173.9	-73.8	-36.9	0	0	0	111.5	N160 T161 L166 M167 K168 R508	N160-D164 PolarHBondContact O-N 3.49Å; T161-D164 PolarHBondContact O-N 3.13Å; D164-L166 VanDerWaalsContact C-N 3.33Å; D164-L166 PolarHBondContact O-N 3.38Å; D164-M167 PolarHBondContact O-N 2.7Å; D164-K168 PolarHBondContact O-N 3.06Å; D164-R508 IonicContact OD1-NH2 3.39Å
165	A	96.3	Very high	95.5	Very high	30 Å²	30	41.8 Å²	41.8	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-41.5	172.6	0	0	0	0	0	111.8	T161 A162 A163 K168 N169	T161-A165 PolarHBondContact O-N 3.45Å; A162-A165 PolarHBondContact O-N 2.91Å; A163-A165 VanDerWaalsContact C-N 3.35Å; A165-K168 PolarHBondContact O-N 3.03Å; A165-N169 PolarHBondContact O-N 2.83Å; A165-N169 VanDerWaalsContact O-N 3.08Å
166	L	97.6	Very high	95.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-48.4	174.2	177.3	63.8	0	0	0	110.9	A162 A163 D164 K168 N169 L170 C185 F186 F189 Q206	A162-L166 PolarHBondContact O-N 3.42Å; A163-L166 WeakPolarHBondContact O-CB 3.3Å; A163-L166 PolarHBondContact O-N 2.97Å; D164-L166 VanDerWaalsContact C-N 3.33Å; D164-L166 PolarHBondContact O-N 3.38Å; L166-K168 VanDerWaalsContact C-N 3.34Å; L166-K168 PolarHBondContact O-N 2.91Å; L166-N169 PolarHBondContact O-N 3.44Å; L166-N169 VanDerWaalsContact O-N 3.16Å; L166-L170 HydrophobicContact CD1-CD1 4.3Å; L166-L170 HydrophobicContact CD1-CG 4.23Å; L166-L170 HydrophobicContact CG-CD1 4.12Å; L166-L170 HydrophobicContact CG-CG 4.41Å; L166-L170 WeakPolarHBondContact O-CG 3.32Å; L166-L170 PolarHBondContact O-N 2.94Å; L166-C185 HydrophobicContact CD1-CB 3.99Å; L166-F186 HydrophobicContact CD2-CD1 4.02Å; L166-F186 HydrophobicContact CD2-CE1 4Å; L166-F189 HydrophobicContact CB-CB 4.42Å; L166-F189 HydrophobicContact CB-CD2 4.12Å; L166-F189 HydrophobicContact CB-CG 4.48Å; L166-F189 HydrophobicContact CD1-CB 4.22Å; L166-F189 HydrophobicContact CD2-CB 4.07Å; L166-F189 HydrophobicContact CD2-CD1 4.3Å; L166-F189 HydrophobicContact CD2-CD2 4.11Å; L166-F189 HydrophobicContact CD2-CG 3.88Å; L166-F189 HydrophobicContact CG-CB 4.46Å; L166-Q206 VanDerWaalsContact CB-OE1 3.24Å; L166-Q206 VanDerWaalsContact N-OE1 3.08Å
167	M	97.7	Very high	95.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-45.8	-179.9	-68.4	-51.1	102.9	0	0	111.2	A163 D164 N169 L170 E171 H504 L505 F509	A163-M167 WeakPolarHBondContact O-CG 3.32Å; A163-M167 PolarHBondContact O-N 2.74Å; D164-M167 PolarHBondContact O-N 2.7Å; M167-N169 VanDerWaalsContact C-N 3.27Å; M167-N169 PolarHBondContact O-N 3.07Å; M167-L170 HydrophobicContact CE-CD1 3.81Å; M167-L170 CarbonylContact O-C 3.56Å; M167-L170 WeakPolarHBondContact O-CA 3.47Å; M167-L170 WeakPolarHBondContact O-CB 3.37Å; M167-L170 PolarHBondContact O-N 3.42Å; M167-L170 HydrophobicContact SD-CD1 4.45Å; M167-E171 WeakPolarHBondContact O-CG 3.45Å; M167-E171 PolarHBondContact O-N 3.22Å; M167-H504 HydrophobicContact CE-CB 4.3Å; M167-H504 HydrophobicContact CG-CB 3.92Å; M167-H504 VanDerWaalsContact SD-C 3.55Å; M167-H504 HydrophobicContact SD-CB 3.96Å; M167-L505 HydrophobicContact CE-CB 3.86Å; M167-L505 HydrophobicContact CE-CG 4.37Å; M167-L505 WeakPolarHBondContact SD-CA 3.42Å; M167-L505 HydrophobicContact SD-CB 4.18Å; M167-F509 HydrophobicContact SD-CD2 4.25Å; M167-F509 HydrophobicContact SD-CE2 3.84Å
168	K	96.3	Very high	95.8	Very high	140 Å²	140	48.4 Å²	48.4	61%	0.609	27%	0.266	S	S	*	.	H	α-helix	trans	-57.6	-39.7	176.4	-175.5	179.3	178.6	-177.3	0	112.4	D164 A165 L166 E171	D164-K168 PolarHBondContact O-N 3.06Å; A165-K168 PolarHBondContact O-N 3.03Å; L166-K168 VanDerWaalsContact C-N 3.34Å; L166-K168 PolarHBondContact O-N 2.91Å; K168-E171 WeakPolarHBondContact O-CB 3.38Å; K168-E171 PolarHBondContact O-N 3.38Å
169	N	95.5	Very high	96	Very high	31 Å²	31	48 Å²	48	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-34.3	176.9	-73	-6	0	0	0	112.3	A165 L166 M167 V172 H173 Q206	A165-N169 PolarHBondContact O-N 2.83Å; A165-N169 VanDerWaalsContact O-N 3.08Å; L166-N169 PolarHBondContact O-N 3.44Å; L166-N169 VanDerWaalsContact O-N 3.16Å; M167-N169 VanDerWaalsContact C-N 3.27Å; M167-N169 PolarHBondContact O-N 3.07Å; N169-V172 PolarHBondContact O-N 3.26Å; N169-H173 PolarHBondContact O-CD2 2.89Å; N169-Q206 WeakPolarHBondContact ND2-CB 3.31Å; N169-Q206 PolarHBondContact ND2-O 3.17Å; N169-Q206 VanDerWaalsContact ND2-O 3.11Å
170	L	97.1	Very high	96.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.2	-31.1	173.3	-65.8	180	0	0	0	112.3	L166 M167 V172 H173 A174 F180 I182 L505 F509 I539	L166-L170 HydrophobicContact CD1-CD1 4.3Å; L166-L170 HydrophobicContact CD1-CG 4.23Å; L166-L170 HydrophobicContact CG-CD1 4.12Å; L166-L170 HydrophobicContact CG-CG 4.41Å; L166-L170 WeakPolarHBondContact O-CG 3.32Å; L166-L170 PolarHBondContact O-N 2.94Å; M167-L170 HydrophobicContact CE-CD1 3.81Å; M167-L170 CarbonylContact O-C 3.56Å; M167-L170 WeakPolarHBondContact O-CA 3.47Å; M167-L170 WeakPolarHBondContact O-CB 3.37Å; M167-L170 PolarHBondContact O-N 3.42Å; M167-L170 HydrophobicContact SD-CD1 4.45Å; L170-V172 VanDerWaalsContact C-N 3.28Å; L170-V172 PolarHBondContact O-N 3.46Å; L170-H173 PolarHBondContact O-N 3.45Å; L170-H173 VanDerWaalsContact O-N 3.08Å; L170-A174 PolarHBondContact O-N 3.36Å; L170-F180 HydrophobicContact CD2-CE2 3.83Å; L170-F180 HydrophobicContact CD2-CZ 3.8Å; L170-I182 HydrophobicContact CD2-CG1 4.49Å; L170-L505 HydrophobicContact CD1-CD1 3.78Å; L170-L505 HydrophobicContact CD1-CG 4.05Å; L170-F509 HydrophobicContact CB-CD2 4.39Å; L170-F509 HydrophobicContact CB-CE2 3.82Å; L170-F509 HydrophobicContact CB-CZ 4.08Å; L170-F509 HydrophobicContact CD1-CE2 4.48Å; L170-I539 HydrophobicContact CB-CD1 3.74Å; L170-I539 HydrophobicContact CD2-CD1 4.04Å; L170-I539 HydrophobicContact CG-CD1 4.38Å; L170-I539 VanDerWaalsContact O-CD1 3.23Å; L170-I539 WeakPolarHBondContact O-CD1 3.34Å
171	E	96.5	Very high	96.2	Very high	68 Å²	68	49.4 Å²	49.4	32%	0.318	28%	0.275	S	S	.	.	H	α-helix	trans	-56.1	-43.4	173.7	-69.2	169.9	-175.8	0	0	111.3	M167 K168 H173 A174 D175 R508 F509	M167-E171 WeakPolarHBondContact O-CG 3.45Å; M167-E171 PolarHBondContact O-N 3.22Å; K168-E171 WeakPolarHBondContact O-CB 3.38Å; K168-E171 PolarHBondContact O-N 3.38Å; E171-H173 VanDerWaalsContact C-N 3.29Å; E171-H173 PolarHBondContact O-N 3.07Å; E171-A174 PolarHBondContact O-N 3.26Å; E171-A174 VanDerWaalsContact O-N 3.16Å; E171-D175 WeakPolarHBondContact O-CB 3.49Å; E171-D175 VanDerWaalsContact O-CG 3.28Å; E171-D175 PolarHBondContact O-N 3.11Å; E171-R508 IonicContact OE1-NH1 3.42Å; E171-R508 PolarHBondContact OE1-NH1 2.95Å; E171-F509 HydrophobicContact CB-CZ 4.48Å; E171-F509 HydrophobicContact CG-CE1 4.23Å; E171-F509 HydrophobicContact CG-CZ 3.68Å
172	V	95.5	Very high	96.3	Very high	95 Å²	95	45.3 Å²	45.3	58%	0.576	25%	0.25	S	S	*	.	H	α-helix	trans	-58.7	-41.2	176.6	-180	0	0	0	0	111.7	N169 L170 S176	N169-V172 PolarHBondContact O-N 3.26Å; L170-V172 VanDerWaalsContact C-N 3.28Å; L170-V172 PolarHBondContact O-N 3.46Å; V172-S176 WeakPolarHBondContact O-CB 3.49Å; V172-S176 PolarHBondContact O-N 3.49Å; V172-S176 VanDerWaalsContact O-N 3.11Å
173	H	95.8	Very high	96.3	Very high	57 Å²	57	46.2 Å²	46.2	26%	0.264	25%	0.253	S	S	.	.	H	α-helix	trans	-70.4	-40.9	177.4	-72.8	-66.8	0	0	0	112	N169 L170 E171 S176 G177 F180 I539	N169-H173 PolarHBondContact O-CD2 2.89Å; L170-H173 PolarHBondContact O-N 3.45Å; L170-H173 VanDerWaalsContact O-N 3.08Å; E171-H173 VanDerWaalsContact C-N 3.29Å; E171-H173 PolarHBondContact O-N 3.07Å; H173-S176 PolarHBondContact O-N 3.43Å; H173-S176 PolarHBondContact O-OG 2.89Å; H173-G177 PolarHBondContact O-N 3.19Å; H173-F180 HydrophobicContact CB-CD1 3.82Å; H173-F180 HydrophobicContact CB-CD2 4.44Å; H173-F180 HydrophobicContact CB-CE1 3.72Å; H173-F180 HydrophobicContact CB-CE2 4.32Å; H173-F180 HydrophobicContact CB-CG 4.21Å; H173-F180 HydrophobicContact CB-CZ 3.97Å; H173-F180 AromaticContact CD2-CD2 3.77Å; H173-F180 AromaticContact CD2-CE2 3.84Å; H173-F180 AromaticContact CE1-CD2 3.8Å; H173-F180 AromaticContact CE1-CG 3.81Å; H173-F180 AromaticContact CG-CD1 3.86Å; H173-F180 AromaticContact CG-CD2 3.77Å; H173-F180 AromaticContact CG-CE2 3.96Å; H173-F180 AromaticContact CG-CG 3.72Å; H173-F180 AromaticContact ND1-CD1 3.85Å; H173-F180 AromaticContact ND1-CD2 3.79Å; H173-F180 AromaticContact ND1-CG 3.46Å; H173-F180 WeakPolarHBondContact ND1-CG 3.43Å; H173-F180 AromaticContact NE2-CD2 3.8Å; H173-I539 HydrophobicContact CB-CD1 4.03Å; H173-I539 HydrophobicContact CB-CG1 4.3Å
174	A	96.1	Very high	96.2	Very high	10 Å²	10	51.6 Å²	51.6	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-45.7	176	0	0	0	0	0	111.9	L170 E171 S176 G177 F509 I539	L170-A174 PolarHBondContact O-N 3.36Å; E171-A174 PolarHBondContact O-N 3.26Å; E171-A174 VanDerWaalsContact O-N 3.16Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.98Å; A174-G177 PolarHBondContact O-N 3.01Å; A174-F509 HydrophobicContact CB-CD1 3.97Å; A174-F509 HydrophobicContact CB-CE1 3.77Å; A174-I539 HydrophobicContact CB-CD1 4.17Å; A174-I539 HydrophobicContact CB-CG1 3.94Å
175	D	96.4	Very high	96.1	Very high	120 Å²	120	49.1 Å²	49.1	64%	0.642	26%	0.264	S	S	*	.	H	α-helix	trans	-64.9	-35.6	177.8	-69	-17.6	0	0	0	112	E171 G177 H541	E171-D175 WeakPolarHBondContact O-CB 3.49Å; E171-D175 VanDerWaalsContact O-CG 3.28Å; E171-D175 PolarHBondContact O-N 3.11Å; D175-G177 VanDerWaalsContact C-N 3.28Å; D175-G177 PolarHBondContact O-N 2.55Å; D175-H541 IonicContact OD1-CD2 3.54Å; D175-H541 IonicContact OD1-CE1 3.23Å; D175-H541 IonicContact OD1-NE2 2.72Å; D175-H541 PolarHBondContact OD1-NE2 2.92Å
176	S	95.8	Very high	96.2	Very high	55 Å²	55	47.7 Å²	47.7	39%	0.385	25%	0.252	S	S	.	.	H	α-helix	trans	-68.5	-27.9	178	81.8	0	0	0	0	113.2	V172 H173 A174 K178	V172-S176 WeakPolarHBondContact O-CB 3.49Å; V172-S176 PolarHBondContact O-N 3.49Å; V172-S176 VanDerWaalsContact O-N 3.11Å; H173-S176 PolarHBondContact O-N 3.43Å; H173-S176 PolarHBondContact O-OG 2.89Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.98Å; S176-K178 PolarHBondContact O-N 2.98Å; S176-K178 VanDerWaalsContact O-N 3.13Å; S176-K178 PolarHBondContact OG-N 2.94Å
177	G	92.4	Very high	96	Very high	33 Å²	33	47.8 Å²	47.8	34%	0.34	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	8.8	-173	0	0	0	0	0	115.2	H173 A174 D175 K538	H173-G177 PolarHBondContact O-N 3.19Å; A174-G177 PolarHBondContact O-N 3.01Å; D175-G177 VanDerWaalsContact C-N 3.28Å; D175-G177 PolarHBondContact O-N 2.55Å; G177-K538 VanDerWaalsContact O-CE 3.23Å; G177-K538 WeakPolarHBondContact O-CE 3.24Å
178	K	95.4	Very high	95.8	Very high	151 Å²	151	48.2 Å²	48.2	66%	0.657	26%	0.256	S	S	*	.			trans	-89.9	153	-177.6	-66.3	-179.8	-177.4	177.1	0	111.7	S176	S176-K178 PolarHBondContact O-N 2.98Å; S176-K178 VanDerWaalsContact O-N 3.13Å; S176-K178 PolarHBondContact OG-N 2.94Å
179	A	96.9	Very high	95.8	Very high	30 Å²	30	41.5 Å²	41.5	25%	0.248	23%	0.227	C	C	.	.			trans	-65.9	145	168.8	0	0	0	0	0	110.6	C514 V537	A179-C514 HydrophobicContact CB-CB 4.45Å; A179-V537 WeakPolarHBondContact CA-O 3.37Å
180	F	97.4	Very high	95.8	Very high	14 Å²	14	40 Å²	40	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160.3	176.5	71.9	-72.2	0	0	0	110.9	L170 H173 I182 Y536 V537 I539	L170-F180 HydrophobicContact CD2-CE2 3.83Å; L170-F180 HydrophobicContact CD2-CZ 3.8Å; H173-F180 HydrophobicContact CB-CD1 3.82Å; H173-F180 HydrophobicContact CB-CD2 4.44Å; H173-F180 HydrophobicContact CB-CE1 3.72Å; H173-F180 HydrophobicContact CB-CE2 4.32Å; H173-F180 HydrophobicContact CB-CG 4.21Å; H173-F180 HydrophobicContact CB-CZ 3.97Å; H173-F180 AromaticContact CD2-CD2 3.77Å; H173-F180 AromaticContact CD2-CE2 3.84Å; H173-F180 AromaticContact CE1-CD2 3.8Å; H173-F180 AromaticContact CE1-CG 3.81Å; H173-F180 AromaticContact CG-CD1 3.86Å; H173-F180 AromaticContact CG-CD2 3.77Å; H173-F180 AromaticContact CG-CE2 3.96Å; H173-F180 AromaticContact CG-CG 3.72Å; H173-F180 AromaticContact ND1-CD1 3.85Å; H173-F180 AromaticContact ND1-CD2 3.79Å; H173-F180 AromaticContact ND1-CG 3.46Å; H173-F180 WeakPolarHBondContact ND1-CG 3.43Å; H173-F180 AromaticContact NE2-CD2 3.8Å; F180-I182 HydrophobicContact CE2-CB 3.89Å; F180-I182 HydrophobicContact CE2-CG1 3.95Å; F180-I182 HydrophobicContact CZ-CB 4.12Å; F180-I182 HydrophobicContact CZ-CD1 4.41Å; F180-I182 HydrophobicContact CZ-CG1 4.04Å; F180-I182 PolarHBondContact O-N 2.95Å; F180-Y536 WeakPolarHBondContact O-CA 3.35Å; F180-V537 HydrophobicContact CE1-CG2 4.38Å; F180-V537 PolarHBondContact N-O 3.17Å; F180-V537 PolarHBondContact O-N 3.15Å; F180-V537 VanDerWaalsContact O-N 3.09Å; F180-I539 HydrophobicContact CE1-CB 4.42Å; F180-I539 HydrophobicContact CE1-CD1 3.98Å; F180-I539 HydrophobicContact CE1-CG1 3.81Å; F180-I539 HydrophobicContact CE1-CG2 3.97Å; F180-I539 HydrophobicContact CZ-CD1 3.84Å; F180-I539 HydrophobicContact CZ-CG1 4.17Å; F180-I539 HydrophobicContact CZ-CG2 4.08Å
181	D	97.2	Very high	95.6	Very high	33 Å²	33	40 Å²	40	18%	0.176	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	96.7	175.3	-178.2	12	0	0	0	111.1	H183 K184 G534 I535 Y536	D181-H183 PolarHBondContact O-N 3.21Å; D181-H183 VanDerWaalsContact OD1-CB 3.3Å; D181-H183 WeakPolarHBondContact OD1-CB 3.1Å; D181-H183 PolarHBondContact OD1-N 3.29Å; D181-H183 VanDerWaalsContact OD1-N 3.1Å; D181-K184 HydrophobicContact CB-CB 4.35Å; D181-K184 WeakPolarHBondContact O-CB 3.34Å; D181-K184 PolarHBondContact O-N 2.87Å; D181-G534 WeakPolarHBondContact OD1-CA 3.29Å; D181-I535 WeakPolarHBondContact CA-O 3.47Å; D181-I535 PolarHBondContact OD1-N 3.02Å; D181-Y536 HydrophobicContact CB-CD2 4.48Å; D181-Y536 HydrophobicContact CB-CE1 4.28Å; D181-Y536 HydrophobicContact CB-CE2 4.1Å
182	I	97.4	Very high	95.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-26.6	179.6	-160.7	176.2	0	0	0	112.1	L170 F180 K184 C185 F186 C364 L505 I511 I535 V537	L170-I182 HydrophobicContact CD2-CG1 4.49Å; F180-I182 HydrophobicContact CE2-CB 3.89Å; F180-I182 HydrophobicContact CE2-CG1 3.95Å; F180-I182 HydrophobicContact CZ-CB 4.12Å; F180-I182 HydrophobicContact CZ-CD1 4.41Å; F180-I182 HydrophobicContact CZ-CG1 4.04Å; F180-I182 PolarHBondContact O-N 2.95Å; I182-K184 VanDerWaalsContact C-N 3.27Å; I182-K184 PolarHBondContact O-N 3.06Å; I182-C185 WeakPolarHBondContact O-CB 3.48Å; I182-C185 PolarHBondContact O-N 3.13Å; I182-F186 HydrophobicContact CB-CE2 4.37Å; I182-F186 HydrophobicContact CD1-CE2 3.78Å; I182-F186 HydrophobicContact CD1-CZ 3.61Å; I182-F186 HydrophobicContact CG1-CD2 4.27Å; I182-F186 HydrophobicContact CG1-CE1 4.49Å; I182-F186 HydrophobicContact CG1-CE2 3.6Å; I182-F186 HydrophobicContact CG1-CZ 3.71Å; I182-F186 HydrophobicContact CG2-CE2 4.08Å; I182-F186 VanDerWaalsContact O-CD2 3.29Å; I182-F186 WeakPolarHBondContact O-CD2 3.25Å; I182-F186 PolarHBondContact O-N 2.98Å; I182-F186 VanDerWaalsContact O-N 3.15Å; I182-C364 HydrophobicContact CD1-CB 4.36Å; I182-L505 HydrophobicContact CD1-CD1 4.34Å; I182-I511 HydrophobicContact CD1-CD1 3.89Å; I182-I535 HydrophobicContact CG2-CB 4.2Å; I182-I535 HydrophobicContact CG2-CG2 4.04Å; I182-I535 PolarHBondContact N-O 2.85Å; I182-V537 HydrophobicContact CB-CG2 3.7Å; I182-V537 HydrophobicContact CD1-CG2 4.12Å; I182-V537 HydrophobicContact CG1-CG2 4.46Å; I182-V537 HydrophobicContact CG2-CG2 3.72Å
183	H	96.1	Very high	95.4	Very high	27 Å²	27	32.8 Å²	32.8	13%	0.125	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-36	178.3	176.7	-107.4	0	0	0	111.3	D181 C185 F186 G187 S357 N358 P531 I535	D181-H183 PolarHBondContact O-N 3.21Å; D181-H183 VanDerWaalsContact OD1-CB 3.3Å; D181-H183 WeakPolarHBondContact OD1-CB 3.1Å; D181-H183 PolarHBondContact OD1-N 3.29Å; D181-H183 VanDerWaalsContact OD1-N 3.1Å; H183-C185 PolarHBondContact O-N 2.8Å; H183-F186 PolarHBondContact O-N 3.39Å; H183-G187 PolarHBondContact O-N 3.43Å; H183-S357 PolarHBondContact CD2-O 3.34Å; H183-N358 PolarHBondContact CE1-OD1 3.46Å; H183-N358 PolarHBondContact NE2-OD1 2.92Å; H183-P531 HydrophobicContact CB-CG 4.29Å; H183-I535 HydrophobicContact CB-CB 4.19Å; H183-I535 HydrophobicContact CB-CD1 4.42Å; H183-I535 HydrophobicContact CB-CG1 4.23Å
184	K	94	Very high	95.2	Very high	114 Å²	114	30.4 Å²	30.4	50%	0.496	17%	0.169	S	C	.	.	H	α-helix	trans	-61.2	-43.6	174.2	-171.4	178.7	179.6	-176.2	0	112.1	D181 I182 F186 G187 C188	D181-K184 HydrophobicContact CB-CB 4.35Å; D181-K184 WeakPolarHBondContact O-CB 3.34Å; D181-K184 PolarHBondContact O-N 2.87Å; I182-K184 VanDerWaalsContact C-N 3.27Å; I182-K184 PolarHBondContact O-N 3.06Å; K184-F186 VanDerWaalsContact C-N 3.35Å; K184-F186 PolarHBondContact O-N 3.41Å; K184-G187 PolarHBondContact O-N 3.49Å; K184-C188 PolarHBondContact O-N 3.09Å; K184-C188 VanDerWaalsContact O-N 3.15Å
185	C	95.8	Very high	94.8	Very high	22 Å²	22	29.9 Å²	29.9	15%	0.149	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-43.7	176.8	-60.3	0	0	0	0	111.4	L166 I182 H183 G187 C188 F189	L166-C185 HydrophobicContact CD1-CB 3.99Å; I182-C185 WeakPolarHBondContact O-CB 3.48Å; I182-C185 PolarHBondContact O-N 3.13Å; H183-C185 PolarHBondContact O-N 2.8Å; C185-G187 VanDerWaalsContact C-N 3.3Å; C185-G187 PolarHBondContact O-N 3.24Å; C185-C188 PolarHBondContact O-N 3.12Å; C185-F189 PolarHBondContact O-N 3.31Å
186	F	97.2	Very high	94.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-32.2	175.8	-62.4	-44	0	0	0	113.1	L166 I182 H183 K184 T190 L360 C364 L505	L166-F186 HydrophobicContact CD2-CD1 4.02Å; L166-F186 HydrophobicContact CD2-CE1 4Å; I182-F186 HydrophobicContact CB-CE2 4.37Å; I182-F186 HydrophobicContact CD1-CE2 3.78Å; I182-F186 HydrophobicContact CD1-CZ 3.61Å; I182-F186 HydrophobicContact CG1-CD2 4.27Å; I182-F186 HydrophobicContact CG1-CE1 4.49Å; I182-F186 HydrophobicContact CG1-CE2 3.6Å; I182-F186 HydrophobicContact CG1-CZ 3.71Å; I182-F186 HydrophobicContact CG2-CE2 4.08Å; I182-F186 VanDerWaalsContact O-CD2 3.29Å; I182-F186 WeakPolarHBondContact O-CD2 3.25Å; I182-F186 PolarHBondContact O-N 2.98Å; I182-F186 VanDerWaalsContact O-N 3.15Å; H183-F186 PolarHBondContact O-N 3.39Å; K184-F186 VanDerWaalsContact C-N 3.35Å; K184-F186 PolarHBondContact O-N 3.41Å; F186-T190 WeakPolarHBondContact O-CB 3.34Å; F186-T190 VanDerWaalsContact O-CG2 3.32Å; F186-T190 WeakPolarHBondContact O-CG2 3.41Å; F186-T190 PolarHBondContact O-N 2.66Å; F186-T190 PolarHBondContact O-OG1 3.05Å; F186-L360 HydrophobicContact CB-CB 3.98Å; F186-L360 HydrophobicContact CB-CD1 4.04Å; F186-L360 HydrophobicContact CD1-CB 3.88Å; F186-L360 HydrophobicContact CD1-CD1 3.86Å; F186-L360 HydrophobicContact CD1-CG 4.33Å; F186-L360 HydrophobicContact CD2-CB 3.58Å; F186-L360 HydrophobicContact CE1-CB 4.24Å; F186-L360 HydrophobicContact CE2-CB 3.95Å; F186-L360 HydrophobicContact CG-CB 3.55Å; F186-L360 HydrophobicContact CG-CD1 4.05Å; F186-L360 HydrophobicContact CG-CG 4.38Å; F186-L360 HydrophobicContact CZ-CB 4.27Å; F186-C364 HydrophobicContact CE2-CB 4.17Å; F186-C364 HydrophobicContact CZ-CB 4.46Å; F186-C364 WeakPolarHBondContact CZ-SG 3.46Å; F186-L505 HydrophobicContact CE1-CD1 3.94Å; F186-L505 HydrophobicContact CZ-CD1 3.75Å
187	G	94	Very high	93.9	Very high	3 Å²	3	21.8 Å²	21.8	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-56.2	-53.5	169.1	0	0	0	0	0	111.4	H183 K184 C185 T190 M191 Y353	H183-G187 PolarHBondContact O-N 3.43Å; K184-G187 PolarHBondContact O-N 3.49Å; C185-G187 VanDerWaalsContact C-N 3.3Å; C185-G187 PolarHBondContact O-N 3.24Å; G187-T190 PolarHBondContact O-N 2.99Å; G187-T190 PolarHBondContact O-OG1 3.49Å; G187-M191 WeakPolarHBondContact O-CB 3.46Å; G187-M191 PolarHBondContact O-N 3.5Å; G187-Y353 VanDerWaalsContact O-CD2 3.29Å; G187-Y353 WeakPolarHBondContact O-CD2 3.43Å; G187-Y353 WeakPolarHBondContact O-CE2 3.44Å
188	C	93.6	Very high	93.3	Very high	9 Å²	9	20.2 Å²	20.2	6%	0.061	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-45.5	178.3	-63.2	0	0	0	0	112.3	K184 C185 T190 M191 D192 S205 Q206	K184-C188 PolarHBondContact O-N 3.09Å; K184-C188 VanDerWaalsContact O-N 3.15Å; C185-C188 PolarHBondContact O-N 3.12Å; C188-T190 PolarHBondContact O-N 3.2Å; C188-M191 WeakPolarHBondContact O-CB 3.25Å; C188-M191 PolarHBondContact O-N 3.27Å; C188-D192 PolarHBondContact O-N 3.31Å; C188-S205 WeakPolarHBondContact CA-OG 3.42Å; C188-S205 PolarHBondContact O-OG 2.92Å; C188-S205 PolarHBondContact SG-O 2.97Å; C188-Q206 HydrophobicContact CB-CB 4.3Å; C188-Q206 HydrophobicContact CB-CG 3.56Å
189	F	96.1	Very high	92.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-55	-51.7	176.4	164.4	-106.6	0	0	0	112.4	A162 A163 L166 C185 M191 D192 V193 L360 A501	A162-F189 HydrophobicContact CB-CD2 3.9Å; A162-F189 HydrophobicContact CB-CE2 3.77Å; A162-F189 WeakPolarHBondContact O-CD2 3.16Å; A163-F189 HydrophobicContact CB-CE2 4.03Å; L166-F189 HydrophobicContact CB-CB 4.42Å; L166-F189 HydrophobicContact CB-CD2 4.12Å; L166-F189 HydrophobicContact CB-CG 4.48Å; L166-F189 HydrophobicContact CD1-CB 4.22Å; L166-F189 HydrophobicContact CD2-CB 4.07Å; L166-F189 HydrophobicContact CD2-CD1 4.3Å; L166-F189 HydrophobicContact CD2-CD2 4.11Å; L166-F189 HydrophobicContact CD2-CG 3.88Å; L166-F189 HydrophobicContact CG-CB 4.46Å; C185-F189 PolarHBondContact O-N 3.31Å; F189-M191 VanDerWaalsContact C-N 3.29Å; F189-M191 PolarHBondContact O-N 3.05Å; F189-D192 PolarHBondContact O-N 2.78Å; F189-V193 HydrophobicContact CD2-CG2 4.06Å; F189-V193 HydrophobicContact CE1-CG2 4.24Å; F189-V193 HydrophobicContact CE2-CG2 3.54Å; F189-V193 HydrophobicContact CZ-CG2 3.64Å; F189-V193 WeakPolarHBondContact O-CG2 3.32Å; F189-V193 PolarHBondContact O-N 2.97Å; F189-L360 HydrophobicContact CD1-CD1 3.8Å; F189-L360 HydrophobicContact CE1-CD1 3.92Å; F189-A501 HydrophobicContact CD1-CB 4.41Å; F189-A501 HydrophobicContact CE1-CB 3.64Å; F189-A501 HydrophobicContact CZ-CB 3.72Å
190	T	95.6	Very high	91.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.9	-31.3	-179.1	53	0	0	0	0	112.5	F186 G187 C188 I194 Y353 L360	F186-T190 WeakPolarHBondContact O-CB 3.34Å; F186-T190 VanDerWaalsContact O-CG2 3.32Å; F186-T190 WeakPolarHBondContact O-CG2 3.41Å; F186-T190 PolarHBondContact O-N 2.66Å; F186-T190 PolarHBondContact O-OG1 3.05Å; G187-T190 PolarHBondContact O-N 2.99Å; G187-T190 PolarHBondContact O-OG1 3.49Å; C188-T190 PolarHBondContact O-N 3.2Å; T190-I194 VanDerWaalsContact O-CG2 3.29Å; T190-I194 WeakPolarHBondContact O-CG2 3.31Å; T190-I194 PolarHBondContact O-N 2.68Å; T190-Y353 PolarHBondContact OG1-O 3.49Å; T190-Y353 VanDerWaalsContact OG1-O 3.06Å; T190-L360 HydrophobicContact CG2-CD1 4.03Å
191	M	93	Very high	90.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-48.7	171.4	-175.8	56	72.9	0	0	111.4	G187 C188 F189 V193 I194 A195 F213 V214 A217 L349 Y353	G187-M191 WeakPolarHBondContact O-CB 3.46Å; G187-M191 PolarHBondContact O-N 3.5Å; C188-M191 WeakPolarHBondContact O-CB 3.25Å; C188-M191 PolarHBondContact O-N 3.27Å; F189-M191 VanDerWaalsContact C-N 3.29Å; F189-M191 PolarHBondContact O-N 3.05Å; M191-V193 VanDerWaalsContact C-N 3.35Å; M191-V193 PolarHBondContact O-N 2.99Å; M191-I194 WeakPolarHBondContact O-CG2 3.41Å; M191-I194 PolarHBondContact O-N 3.03Å; M191-I194 HydrophobicContact SD-CG2 4.26Å; M191-A195 WeakPolarHBondContact O-CB 3.09Å; M191-A195 PolarHBondContact O-N 2.93Å; M191-F213 HydrophobicContact CE-CB 4.29Å; M191-F213 HydrophobicContact CG-CB 4.12Å; M191-F213 HydrophobicContact SD-CB 3.83Å; M191-F213 HydrophobicContact SD-CD1 4.39Å; M191-V214 HydrophobicContact CB-CG2 4.08Å; M191-V214 HydrophobicContact CG-CG2 3.85Å; M191-A217 HydrophobicContact CE-CB 3.56Å; M191-L349 HydrophobicContact SD-CD1 3.81Å; M191-L349 HydrophobicContact SD-CG 4.21Å; M191-Y353 HydrophobicContact CB-CD2 3.83Å; M191-Y353 HydrophobicContact CB-CE2 4.16Å; M191-Y353 HydrophobicContact CE-CD1 4.3Å; M191-Y353 HydrophobicContact CE-CD2 3.58Å; M191-Y353 HydrophobicContact CE-CE2 4.04Å; M191-Y353 HydrophobicContact CE-CG 3.69Å
192	D	93.2	Very high	89.9	Confident	11 Å²	11	18.7 Å²	18.7	6%	0.059	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-42.3	179.8	-68.7	-1.6	0	0	0	111.1	A162 C188 F189 A195 S196 V203 S205 Q206	A162-D192 HydrophobicContact CB-CB 4.45Å; C188-D192 PolarHBondContact O-N 3.31Å; F189-D192 PolarHBondContact O-N 2.78Å; D192-A195 PolarHBondContact O-N 3.16Å; D192-S196 WeakPolarHBondContact O-CB 3.21Å; D192-S196 PolarHBondContact O-N 3.49Å; D192-V203 VanDerWaalsContact OD1-O 3.05Å; D192-S205 VanDerWaalsContact OD1-CB 3.25Å; D192-S205 WeakPolarHBondContact OD1-CB 3.33Å; D192-S205 PolarHBondContact OD1-N 3.29Å; D192-S205 PolarHBondContact OD1-OG 3.04Å; D192-Q206 WeakPolarHBondContact OD2-CG 3.26Å; D192-Q206 PolarHBondContact OD2-NE2 2.96Å
193	V	93.8	Very high	89.2	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.3	-56.1	175.5	175	0	0	0	0	110.3	I159 A162 F189 M191 A195 S196 V197 E497	I159-V193 HydrophobicContact CG1-CG1 3.93Å; A162-V193 HydrophobicContact CB-CG2 3.56Å; F189-V193 HydrophobicContact CD2-CG2 4.06Å; F189-V193 HydrophobicContact CE1-CG2 4.24Å; F189-V193 HydrophobicContact CE2-CG2 3.54Å; F189-V193 HydrophobicContact CZ-CG2 3.64Å; F189-V193 WeakPolarHBondContact O-CG2 3.32Å; F189-V193 PolarHBondContact O-N 2.97Å; M191-V193 VanDerWaalsContact C-N 3.35Å; M191-V193 PolarHBondContact O-N 2.99Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.46Å; V193-S196 PolarHBondContact O-N 2.89Å; V193-V197 HydrophobicContact CG1-CG1 4.1Å; V193-V197 HydrophobicContact CG1-CG2 4.37Å; V193-V197 WeakPolarHBondContact O-CG1 3.35Å; V193-V197 VanDerWaalsContact O-CG2 3.27Å; V193-V197 WeakPolarHBondContact O-CG2 3.46Å; V193-V197 PolarHBondContact O-N 3.48Å; V193-E497 HydrophobicContact CG1-CB 4.48Å; V193-E497 WeakPolarHBondContact CG1-OE2 3.34Å
194	I	90.9	Very high	88.8	Confident	6 Å²	6	22.1 Å²	22.1	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-35.3	-176	-164	62.8	0	0	0	111.7	T190 M191 S196 V197 A198 F348 L349 L493	T190-I194 VanDerWaalsContact O-CG2 3.29Å; T190-I194 WeakPolarHBondContact O-CG2 3.31Å; T190-I194 PolarHBondContact O-N 2.68Å; M191-I194 WeakPolarHBondContact O-CG2 3.41Å; M191-I194 PolarHBondContact O-N 3.03Å; M191-I194 HydrophobicContact SD-CG2 4.26Å; I194-S196 PolarHBondContact O-N 3.43Å; I194-V197 HydrophobicContact CD1-CG2 4.19Å; I194-A198 HydrophobicContact CD1-CB 3.87Å; I194-A198 HydrophobicContact CG1-CB 4.21Å; I194-A198 WeakPolarHBondContact O-CA 3.33Å; I194-A198 WeakPolarHBondContact O-CB 3.45Å; I194-A198 PolarHBondContact O-N 3.11Å; I194-F348 WeakPolarHBondContact CG1-O 3.44Å; I194-L349 HydrophobicContact CG2-CD1 3.8Å; I194-L349 HydrophobicContact CG2-CG 4.43Å; I194-L493 HydrophobicContact CD1-CD2 4.49Å
195	A	89.3	Confident	88.5	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-45.4	174.7	0	0	0	0	0	111.8	M191 D192 V193 F199 G200 T201 V203	M191-A195 WeakPolarHBondContact O-CB 3.09Å; M191-A195 PolarHBondContact O-N 2.93Å; D192-A195 PolarHBondContact O-N 3.16Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.46Å; A195-F199 CarbonylContact O-C 3.55Å; A195-F199 WeakPolarHBondContact O-CA 3.39Å; A195-F199 WeakPolarHBondContact O-CB 3.48Å; A195-F199 PolarHBondContact O-N 3.27Å; A195-F199 VanDerWaalsContact O-N 3.13Å; A195-G200 PolarHBondContact O-N 2.94Å; A195-T201 CarbonylContact C-O 3.54Å; A195-T201 PolarHBondContact O-N 3.2Å; A195-T201 VanDerWaalsContact O-N 3.12Å; A195-V203 HydrophobicContact CB-CB 3.9Å; A195-V203 HydrophobicContact CB-CG2 3.51Å
196	S	87.6	Confident	88.2	Confident	3 Å²	3	16.4 Å²	16.4	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-75.1	-47.3	-177.9	-156.8	0	0	0	0	112.3	D192 V193 I194 G200 T201 Q202 R279	D192-S196 WeakPolarHBondContact O-CB 3.21Å; D192-S196 PolarHBondContact O-N 3.49Å; V193-S196 PolarHBondContact O-N 2.89Å; I194-S196 PolarHBondContact O-N 3.43Å; S196-G200 WeakPolarHBondContact O-CA 3.44Å; S196-G200 PolarHBondContact O-N 3.35Å; S196-T201 WeakPolarHBondContact CA-O 3.4Å; S196-T201 PolarHBondContact N-O 2.9Å; S196-Q202 PolarHBondContact OG-NE2 3.28Å; S196-Q202 PolarHBondContact OG-OE1 3.24Å; S196-R279 PolarHBondContact OG-NH2 3.44Å; S196-R279 VanDerWaalsContact OG-NH2 3.15Å
197	V	85.5	Confident	87.7	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-76.4	-34.4	-175.9	-54.1	0	0	0	0	112.6	M155 L158 I159 V193 I194 D281 F282 L493	M155-V197 HydrophobicContact CB-CG1 4.05Å; M155-V197 HydrophobicContact CG-CB 4.1Å; M155-V197 HydrophobicContact CG-CG1 4.18Å; M155-V197 HydrophobicContact SD-CB 4.19Å; L158-V197 HydrophobicContact CB-CG1 4Å; L158-V197 HydrophobicContact CD1-CG1 4.08Å; I159-V197 HydrophobicContact CG1-CG1 4.33Å; V193-V197 HydrophobicContact CG1-CG1 4.1Å; V193-V197 HydrophobicContact CG1-CG2 4.37Å; V193-V197 WeakPolarHBondContact O-CG1 3.35Å; V193-V197 VanDerWaalsContact O-CG2 3.27Å; V193-V197 WeakPolarHBondContact O-CG2 3.46Å; V193-V197 PolarHBondContact O-N 3.48Å; I194-V197 HydrophobicContact CD1-CG2 4.19Å; V197-D281 WeakPolarHBondContact O-CB 3.46Å; V197-F282 WeakPolarHBondContact O-CD2 3.29Å; V197-L493 HydrophobicContact CG2-CD2 4.17Å
198	A	80.5	Confident	87.3	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-90.8	-36.3	-177.3	0	0	0	0	0	114.1	I194 F282 L283	I194-A198 HydrophobicContact CD1-CB 3.87Å; I194-A198 HydrophobicContact CG1-CB 4.21Å; I194-A198 WeakPolarHBondContact O-CA 3.33Å; I194-A198 WeakPolarHBondContact O-CB 3.45Å; I194-A198 PolarHBondContact O-N 3.11Å; A198-F282 HydrophobicContact CB-CB 4.22Å; A198-F282 HydrophobicContact CB-CD2 4.06Å; A198-F282 HydrophobicContact CB-CG 4.45Å; A198-L283 PolarHBondContact O-N 2.93Å
199	F	79.3	Confident	86	Confident	11 Å²	11	27.1 Å²	27.1	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-117	-0.9	-173.7	-52.3	-65.6	0	0	0	113.6	A195 T201 I266 R270 L283 A345 L349	A195-F199 CarbonylContact O-C 3.55Å; A195-F199 WeakPolarHBondContact O-CA 3.39Å; A195-F199 WeakPolarHBondContact O-CB 3.48Å; A195-F199 PolarHBondContact O-N 3.27Å; A195-F199 VanDerWaalsContact O-N 3.13Å; F199-T201 PolarHBondContact O-N 3.39Å; F199-T201 VanDerWaalsContact O-N 3.08Å; F199-T201 PolarHBondContact O-OG1 3.19Å; F199-I266 HydrophobicContact CB-CD1 4.33Å; F199-R270 VanDerWaalsContact C-NH2 3.33Å; F199-R270 PolarHBondContact O-NH2 2.96Å; F199-L283 HydrophobicContact CD1-CB 4.4Å; F199-L283 HydrophobicContact CD1-CD2 4.35Å; F199-A345 HydrophobicContact CD1-CB 4.38Å; F199-A345 HydrophobicContact CE1-CB 3.4Å; F199-A345 HydrophobicContact CZ-CB 4.04Å; F199-A345 WeakPolarHBondContact CZ-O 3.23Å; F199-L349 HydrophobicContact CD2-CD1 4.08Å; F199-L349 HydrophobicContact CE2-CB 3.92Å; F199-L349 HydrophobicContact CE2-CD1 3.57Å; F199-L349 HydrophobicContact CE2-CG 4.36Å; F199-L349 HydrophobicContact CZ-CB 4.23Å
200	G	76.5	Confident	84.9	Confident	19 Å²	19	33.4 Å²	33.4	20%	0.196	18%	0.184	C	C	.	.			trans	62.7	17.4	-177.1	0	0	0	0	0	112.9	A195 S196 R279 D281	A195-G200 PolarHBondContact O-N 2.94Å; S196-G200 WeakPolarHBondContact O-CA 3.44Å; S196-G200 PolarHBondContact O-N 3.35Å; G200-R279 VanDerWaalsContact CA-NH1 3.31Å; G200-R279 PolarHBondContact O-NH1 3.26Å; G200-D281 VanDerWaalsContact CA-OD2 3.23Å; G200-D281 WeakPolarHBondContact CA-OD2 3.44Å; G200-D281 PolarHBondContact N-OD2 3.32Å; G200-D281 VanDerWaalsContact N-OD2 3.14Å
201	T	80.3	Confident	84.2	Confident	38 Å²	38	34.5 Å²	34.5	23%	0.233	19%	0.189	C	C	.	.			trans	-104.4	123.4	-173.2	-58.3	0	0	0	0	108.1	A195 S196 F199 V203	A195-T201 CarbonylContact C-O 3.54Å; A195-T201 PolarHBondContact O-N 3.2Å; A195-T201 VanDerWaalsContact O-N 3.12Å; S196-T201 WeakPolarHBondContact CA-O 3.4Å; S196-T201 PolarHBondContact N-O 2.9Å; F199-T201 PolarHBondContact O-N 3.39Å; F199-T201 VanDerWaalsContact O-N 3.08Å; F199-T201 PolarHBondContact O-OG1 3.19Å; T201-V203 HydrophobicContact CG2-CG2 4.1Å; T201-V203 PolarHBondContact O-N 3.44Å
202	Q	78.8	Confident	83.8	Confident	127 Å²	127	37.3 Å²	37.3	59%	0.593	21%	0.207	S	C	*	.			trans	-79	115.7	170.8	-60.4	-64.9	11.9	0	0	108	S196	S196-Q202 PolarHBondContact OG-NE2 3.28Å; S196-Q202 PolarHBondContact OG-OE1 3.24Å
203	V	82.7	Confident	83.2	Confident	15 Å²	15	37.9 Å²	37.9	9%	0.091	21%	0.21	C	C	.	.			trans	-108.9	137.4	170.2	176.6	0	0	0	0	105.9	D192 A195 T201 F213	D192-V203 VanDerWaalsContact OD1-O 3.05Å; A195-V203 HydrophobicContact CB-CB 3.9Å; A195-V203 HydrophobicContact CB-CG2 3.51Å; T201-V203 HydrophobicContact CG2-CG2 4.1Å; T201-V203 PolarHBondContact O-N 3.44Å; V203-F213 HydrophobicContact CG1-CD2 4.45Å; V203-F213 HydrophobicContact CG2-CD2 3.97Å; V203-F213 HydrophobicContact CG2-CE2 3.96Å; V203-F213 HydrophobicContact CG2-CG 4.34Å; V203-F213 HydrophobicContact CG2-CZ 4.32Å
204	D	86.8	Confident	82.6	Confident	85 Å²	85	38.1 Å²	38.1	46%	0.455	21%	0.211	S	C	.	.			trans	-110.2	54.7	177.9	-171.7	12.7	0	0	0	109.6	Q206 N207 N208	D204-Q206 PolarHBondContact O-N 2.59Å; D204-N207 VanDerWaalsContact CG-ND2 3.32Å; D204-N207 PolarHBondContact O-N 3.18Å; D204-N207 WeakPolarHBondContact OD1-CB 3.29Å; D204-N207 PolarHBondContact OD1-N 2.77Å; D204-N207 PolarHBondContact OD1-ND2 3.09Å; D204-N207 WeakPolarHBondContact OD2-CB 3.26Å; D204-N207 PolarHBondContact OD2-ND2 3.15Å; D204-N207 VanDerWaalsContact OD2-ND2 3.1Å; D204-N208 PolarHBondContact O-N 3.29Å
205	S	87.9	Confident	82.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.3	-177.1	71.4	0	0	0	0	112.1	C188 D192 N208	C188-S205 WeakPolarHBondContact CA-OG 3.42Å; C188-S205 PolarHBondContact O-OG 2.92Å; C188-S205 PolarHBondContact SG-O 2.97Å; D192-S205 VanDerWaalsContact OD1-CB 3.25Å; D192-S205 WeakPolarHBondContact OD1-CB 3.33Å; D192-S205 PolarHBondContact OD1-N 3.29Å; D192-S205 PolarHBondContact OD1-OG 3.04Å; S205-N208 CarbonylContact O-C 3.5Å; S205-N208 VanDerWaalsContact O-C 3.23Å
206	Q	90	Very high	81.9	Confident	15 Å²	15	45.8 Å²	45.8	7%	0.07	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-35.2	175.6	-76.2	-175.2	92.6	0	0	112.8	A162 L166 N169 C188 D192 D204	A162-Q206 PolarHBondContact O-NE2 3.49Å; L166-Q206 VanDerWaalsContact CB-OE1 3.24Å; L166-Q206 VanDerWaalsContact N-OE1 3.08Å; N169-Q206 WeakPolarHBondContact ND2-CB 3.31Å; N169-Q206 PolarHBondContact ND2-O 3.17Å; N169-Q206 VanDerWaalsContact ND2-O 3.11Å; C188-Q206 HydrophobicContact CB-CB 4.3Å; C188-Q206 HydrophobicContact CB-CG 3.56Å; D192-Q206 WeakPolarHBondContact OD2-CG 3.26Å; D192-Q206 PolarHBondContact OD2-NE2 2.96Å; D204-Q206 PolarHBondContact O-N 2.59Å
207	N	87.1	Confident	81.7	Confident	103 Å²	103	45.6 Å²	45.6	55%	0.551	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-15	171.6	-61.5	-56.3	0	0	0	113.3	D204	D204-N207 VanDerWaalsContact CG-ND2 3.32Å; D204-N207 PolarHBondContact O-N 3.18Å; D204-N207 WeakPolarHBondContact OD1-CB 3.29Å; D204-N207 PolarHBondContact OD1-N 2.77Å; D204-N207 PolarHBondContact OD1-ND2 3.09Å; D204-N207 WeakPolarHBondContact OD2-CB 3.26Å; D204-N207 PolarHBondContact OD2-ND2 3.15Å; D204-N207 VanDerWaalsContact OD2-ND2 3.1Å
208	N	84.6	Confident	81.5	Confident	77 Å²	77	50.2 Å²	50.2	41%	0.412	26%	0.26	S	S	.	.			trans	-125.7	84.8	175.5	-175.3	14.5	0	0	0	111.7	D204 S205 D210 D211	D204-N208 PolarHBondContact O-N 3.29Å; S205-N208 CarbonylContact O-C 3.5Å; S205-N208 VanDerWaalsContact O-C 3.23Å; N208-D210 PolarHBondContact O-N 2.88Å; N208-D210 VanDerWaalsContact O-N 3.1Å; N208-D211 WeakPolarHBondContact O-CB 3.33Å; N208-D211 PolarHBondContact O-N 3.19Å
209	P	67.5	Low	81.4	Confident	58 Å²	58	52.1 Å²	52.1	38%	0.377	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.5	-177.2	-22	32.9	0	0	0	114.7
210	D	72.7	Confident	81.4	Confident	132 Å²	132	54.4 Å²	54.4	71%	0.706	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	14	174.9	-71.7	-45.7	0	0	0	112.5	N208	N208-D210 PolarHBondContact O-N 2.88Å; N208-D210 VanDerWaalsContact O-N 3.1Å
211	D	81.3	Confident	81.5	Confident	23 Å²	23	54.7 Å²	54.7	12%	0.123	28%	0.276	C	S	.	.			trans	-52.5	132.9	178	-172.9	-82.2	0	0	0	111.2	N208 F213 V214 R215	N208-D211 WeakPolarHBondContact O-CB 3.33Å; N208-D211 PolarHBondContact O-N 3.19Å; D211-F213 PolarHBondContact O-N 2.96Å; D211-F213 VanDerWaalsContact O-N 3.13Å; D211-F213 VanDerWaalsContact OD1-CB 3.25Å; D211-F213 WeakPolarHBondContact OD1-CB 3.11Å; D211-F213 WeakPolarHBondContact OD1-CD2 3.48Å; D211-F213 PolarHBondContact OD1-N 3.03Å; D211-V214 PolarHBondContact O-N 3.48Å; D211-V214 VanDerWaalsContact O-N 3.09Å; D211-R215 PolarHBondContact O-N 2.97Å
212	P	83.2	Confident	81.1	Confident	58 Å²	58	55.3 Å²	55.3	38%	0.377	28%	0.282	S	S	.	.	H	α-helix	trans	-53.3	-34	-179.3	-29.4	36.8	0	0	0	114.4	H216 F258	P212-H216 WeakPolarHBondContact O-CB 3.39Å; P212-H216 PolarHBondContact O-CD2 3.39Å; P212-H216 PolarHBondContact O-N 3.22Å; P212-F258 HydrophobicContact CB-CD2 4.45Å; P212-F258 HydrophobicContact CB-CE1 4.43Å; P212-F258 HydrophobicContact CB-CE2 3.45Å; P212-F258 VanDerWaalsContact CB-CE2 3.45Å; P212-F258 HydrophobicContact CB-CZ 3.44Å; P212-F258 VanDerWaalsContact CB-CZ 3.44Å
213	F	81.3	Confident	80.8	Confident	24 Å²	24	53.7 Å²	53.7	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-49.1	176.9	-79.4	-99.9	0	0	0	111.5	M191 V203 D211 A217 F258 F259 I262 L349	M191-F213 HydrophobicContact CE-CB 4.29Å; M191-F213 HydrophobicContact CG-CB 4.12Å; M191-F213 HydrophobicContact SD-CB 3.83Å; M191-F213 HydrophobicContact SD-CD1 4.39Å; V203-F213 HydrophobicContact CG1-CD2 4.45Å; V203-F213 HydrophobicContact CG2-CD2 3.97Å; V203-F213 HydrophobicContact CG2-CE2 3.96Å; V203-F213 HydrophobicContact CG2-CG 4.34Å; V203-F213 HydrophobicContact CG2-CZ 4.32Å; D211-F213 PolarHBondContact O-N 2.96Å; D211-F213 VanDerWaalsContact O-N 3.13Å; D211-F213 VanDerWaalsContact OD1-CB 3.25Å; D211-F213 WeakPolarHBondContact OD1-CB 3.11Å; D211-F213 WeakPolarHBondContact OD1-CD2 3.48Å; D211-F213 PolarHBondContact OD1-N 3.03Å; F213-A217 VanDerWaalsContact O-CB 3.25Å; F213-A217 WeakPolarHBondContact O-CB 3.36Å; F213-A217 PolarHBondContact O-N 3.15Å; F213-F258 HydrophobicContact CD1-CE1 4.41Å; F213-F258 HydrophobicContact CD2-CE1 4.33Å; F213-F258 HydrophobicContact CD2-CZ 4Å; F213-F258 HydrophobicContact CE2-CZ 4.2Å; F213-F258 HydrophobicContact CG-CE1 4.23Å; F213-F258 HydrophobicContact CG-CZ 4.35Å; F213-F259 AromaticContact CD1-CE1 3.91Å; F213-F259 HydrophobicContact CD1-CE1 3.91Å; F213-F259 HydrophobicContact CE1-CE1 4.39Å; F213-I262 HydrophobicContact CE2-CD1 3.96Å; F213-I262 HydrophobicContact CZ-CD1 3.89Å; F213-I262 HydrophobicContact CZ-CG2 3.91Å; F213-L349 HydrophobicContact CD1-CD1 4.16Å; F213-L349 HydrophobicContact CD1-CD2 4.13Å; F213-L349 HydrophobicContact CE1-CD1 4.49Å
214	V	81.1	Confident	80.2	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-49.2	178.9	176.5	0	0	0	0	110.1	M191 D211 H216 A217 Q218 Y353	M191-V214 HydrophobicContact CB-CG2 4.08Å; M191-V214 HydrophobicContact CG-CG2 3.85Å; D211-V214 PolarHBondContact O-N 3.48Å; D211-V214 VanDerWaalsContact O-N 3.09Å; V214-H216 PolarHBondContact O-N 3.39Å; V214-A217 PolarHBondContact O-N 3.4Å; V214-Q218 HydrophobicContact CG1-CG 4.49Å; V214-Q218 WeakPolarHBondContact O-CG 3.45Å; V214-Q218 PolarHBondContact O-N 3.33Å; V214-Y353 HydrophobicContact CG1-CE2 4.5Å
215	R	83.6	Confident	79.2	Confident	149 Å²	149	52.7 Å²	52.7	56%	0.562	27%	0.27	S	S	*	.	H	α-helix	trans	-59.6	-46.9	-179.5	-178	178	174	141.1	-1	112.3	D211 Q218 L219	D211-R215 PolarHBondContact O-N 2.97Å; R215-Q218 PolarHBondContact O-N 3.28Å; R215-L219 WeakPolarHBondContact O-CG 3.07Å; R215-L219 PolarHBondContact O-N 3.07Å
216	H	82.4	Confident	78.7	Confident	18 Å²	18	55.3 Å²	55.3	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-71.9	-32	-179.7	-72.8	-59.2	0	0	0	112.7	P212 V214 L219 F258 F259	P212-H216 WeakPolarHBondContact O-CB 3.39Å; P212-H216 PolarHBondContact O-CD2 3.39Å; P212-H216 PolarHBondContact O-N 3.22Å; V214-H216 PolarHBondContact O-N 3.39Å; H216-L219 PolarHBondContact O-N 3.03Å; H216-F258 HydrophobicContact CB-CD1 3.84Å; H216-F258 HydrophobicContact CB-CE1 4.3Å; H216-F258 HydrophobicContact CB-CG 4.41Å; H216-F258 AromaticContact CD2-CD1 3.39Å; H216-F258 WeakPolarHBondContact CD2-CD1 3.49Å; H216-F258 AromaticContact CD2-CD2 3.49Å; H216-F258 VanDerWaalsContact CD2-CD2 3.49Å; H216-F258 WeakPolarHBondContact CD2-CD2 3.49Å; H216-F258 AromaticContact CD2-CE1 3.8Å; H216-F258 AromaticContact CD2-CE2 3.88Å; H216-F258 AromaticContact CD2-CG 3.23Å; H216-F258 WeakPolarHBondContact CD2-CG 3.2Å; H216-F258 AromaticContact CG-CD1 3.77Å; H216-F258 AromaticContact CG-CG 3.85Å; H216-F258 AromaticContact NE2-CD2 3.75Å; H216-F258 AromaticContact NE2-CG 3.74Å; H216-F259 HydrophobicContact CB-CD2 4.48Å; H216-F259 HydrophobicContact CB-CE2 3.61Å; H216-F259 HydrophobicContact CB-CZ 3.72Å
217	A	81.8	Confident	78.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-43.7	172.3	0	0	0	0	0	112	M191 F213 V214 L219 F220 F221 L350 Y353	M191-A217 HydrophobicContact CE-CB 3.56Å; F213-A217 VanDerWaalsContact O-CB 3.25Å; F213-A217 WeakPolarHBondContact O-CB 3.36Å; F213-A217 PolarHBondContact O-N 3.15Å; V214-A217 PolarHBondContact O-N 3.4Å; A217-L219 VanDerWaalsContact C-N 3.28Å; A217-L219 PolarHBondContact O-N 2.82Å; A217-F220 VanDerWaalsContact O-CB 3.24Å; A217-F220 WeakPolarHBondContact O-CB 3.22Å; A217-F220 PolarHBondContact O-N 2.75Å; A217-F220 VanDerWaalsContact O-N 3.08Å; A217-F221 VanDerWaalsContact O-CD2 3.3Å; A217-F221 WeakPolarHBondContact O-CD2 3.26Å; A217-L350 HydrophobicContact CB-CD2 3.85Å; A217-Y353 HydrophobicContact CB-CD1 3.85Å; A217-Y353 HydrophobicContact CB-CE1 4.05Å; A217-Y353 HydrophobicContact CB-CG 4.43Å
218	Q	81.9	Confident	78	Confident	99 Å²	99	60.3 Å²	60.3	46%	0.463	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-31.6	176.6	-71	175.2	-6.2	0	0	113.2	V214 R215 F220 F221 S222 Y353	V214-Q218 HydrophobicContact CG1-CG 4.49Å; V214-Q218 WeakPolarHBondContact O-CG 3.45Å; V214-Q218 PolarHBondContact O-N 3.33Å; R215-Q218 PolarHBondContact O-N 3.28Å; Q218-F220 PolarHBondContact O-N 3.08Å; Q218-F221 PolarHBondContact O-N 3.07Å; Q218-S222 PolarHBondContact O-N 2.98Å; Q218-S222 PolarHBondContact O-OG 3.33Å; Q218-Y353 HydrophobicContact CG-CE1 4.21Å; Q218-Y353 PolarHBondContact NE2-OH 2.98Å
219	L	79.3	Confident	77.9	Confident	40 Å²	40	62.2 Å²	62.2	21%	0.209	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-31.3	174.2	-73.8	173.8	0	0	0	112.7	R215 H216 A217 S222	R215-L219 WeakPolarHBondContact O-CG 3.07Å; R215-L219 PolarHBondContact O-N 3.07Å; H216-L219 PolarHBondContact O-N 3.03Å; A217-L219 VanDerWaalsContact C-N 3.28Å; A217-L219 PolarHBondContact O-N 2.82Å; L219-S222 WeakPolarHBondContact CA-OG 3.15Å; L219-S222 PolarHBondContact O-OG 2.57Å; L219-S222 VanDerWaalsContact O-OG 3.07Å
220	F	78.7	Confident	78.6	Confident	59 Å²	59	60.9 Å²	60.9	26%	0.259	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-45.7	176.1	-177.5	-94.4	0	0	0	111.9	M124 A217 Q218 S222 M255 F346 L350	M124-F220 HydrophobicContact CG-CE2 4.36Å; M124-F220 HydrophobicContact SD-CE2 3.5Å; M124-F220 WeakPolarHBondContact SD-CE2 3.49Å; M124-F220 HydrophobicContact SD-CZ 4.06Å; A217-F220 VanDerWaalsContact O-CB 3.24Å; A217-F220 WeakPolarHBondContact O-CB 3.22Å; A217-F220 PolarHBondContact O-N 2.75Å; A217-F220 VanDerWaalsContact O-N 3.08Å; Q218-F220 PolarHBondContact O-N 3.08Å; F220-S222 VanDerWaalsContact C-N 3.34Å; F220-S222 PolarHBondContact O-N 2.64Å; F220-M255 VanDerWaalsContact CA-SD 3.54Å; F220-M255 HydrophobicContact CB-SD 3.62Å; F220-M255 HydrophobicContact CD2-CE 3.86Å; F220-M255 HydrophobicContact CD2-SD 3.76Å; F220-M255 HydrophobicContact CG-SD 4.19Å; F220-F346 HydrophobicContact CD2-CE1 4.1Å; F220-F346 AromaticContact CD2-CZ 3.86Å; F220-F346 HydrophobicContact CD2-CZ 3.86Å; F220-F346 AromaticContact CE2-CE1 3.77Å; F220-F346 HydrophobicContact CE2-CE1 3.77Å; F220-F346 AromaticContact CE2-CZ 4Å; F220-F346 HydrophobicContact CE2-CZ 4Å; F220-L350 HydrophobicContact CB-CD1 4.16Å; F220-L350 HydrophobicContact CB-CD2 3.87Å; F220-L350 HydrophobicContact CD1-CD1 3.72Å; F220-L350 HydrophobicContact CD1-CD2 4.27Å; F220-L350 HydrophobicContact CD1-CG 4.43Å; F220-L350 HydrophobicContact CD2-CD1 3.47Å; F220-L350 VanDerWaalsContact CD2-CD1 3.47Å; F220-L350 HydrophobicContact CE1-CD1 3.88Å; F220-L350 HydrophobicContact CE2-CD1 3.62Å; F220-L350 HydrophobicContact CG-CD1 3.51Å; F220-L350 HydrophobicContact CG-CD2 4.06Å; F220-L350 HydrophobicContact CG-CG 4.38Å; F220-L350 HydrophobicContact CZ-CD1 3.83Å
221	F	78.2	Confident	79.2	Confident	24 Å²	24	56.5 Å²	56.5	11%	0.105	28%	0.28	C	S	.	.	H	α-helix	trans	-81.4	-11.5	-173.9	-66	-69.6	0	0	0	114.4	A217 Q218 F223 L350 Y353 E354 T528	A217-F221 VanDerWaalsContact O-CD2 3.3Å; A217-F221 WeakPolarHBondContact O-CD2 3.26Å; Q218-F221 PolarHBondContact O-N 3.07Å; F221-F223 PolarHBondContact O-N 2.95Å; F221-L350 HydrophobicContact CE2-CB 4.13Å; F221-L350 HydrophobicContact CE2-CD2 3.99Å; F221-L350 HydrophobicContact CZ-CB 3.94Å; F221-L350 VanDerWaalsContact CZ-O 3.29Å; F221-L350 WeakPolarHBondContact CZ-O 3.15Å; F221-Y353 HydrophobicContact CE2-CD1 4.29Å; F221-E354 WeakPolarHBondContact CB-OE1 3.29Å; F221-E354 WeakPolarHBondContact CD1-OE2 3.3Å; F221-E354 HydrophobicContact CD2-CB 3.97Å; F221-E354 HydrophobicContact CD2-CG 4.32Å; F221-E354 HydrophobicContact CE1-CB 4.19Å; F221-E354 WeakPolarHBondContact CE1-OE2 3.41Å; F221-E354 HydrophobicContact CE2-CB 3.62Å; F221-E354 HydrophobicContact CE2-CG 4.45Å; F221-E354 HydrophobicContact CG-CB 4.4Å; F221-E354 HydrophobicContact CG-CG 4.41Å; F221-E354 WeakPolarHBondContact CG-OE2 3Å; F221-E354 HydrophobicContact CZ-CB 3.72Å; F221-T528 HydrophobicContact CE1-CG2 4.34Å
222	S	72.8	Confident	79.5	Confident	52 Å²	52	60.7 Å²	60.7	36%	0.364	30%	0.297	S	S	.	.			trans	-87.6	35.9	175.8	53	0	0	0	0	113.4	Q218 L219 F220 R251	Q218-S222 PolarHBondContact O-N 2.98Å; Q218-S222 PolarHBondContact O-OG 3.33Å; L219-S222 WeakPolarHBondContact CA-OG 3.15Å; L219-S222 PolarHBondContact O-OG 2.57Å; L219-S222 VanDerWaalsContact O-OG 3.07Å; F220-S222 VanDerWaalsContact C-N 3.34Å; F220-S222 PolarHBondContact O-N 2.64Å; S222-R251 PolarHBondContact O-NH1 2.69Å; S222-R251 PolarHBondContact OG-NH2 2.92Å
223	F	71	Confident	79.5	Confident	92 Å²	92	59 Å²	59	40%	0.404	28%	0.284	S	S	.	.			trans	-78	141.2	173.3	-176.9	-96.7	0	0	0	111.2	F221 F225 M230	F221-F223 PolarHBondContact O-N 2.95Å; F223-F225 AromaticContact CE1-CD1 3.98Å; F223-F225 HydrophobicContact CE1-CD1 3.98Å; F223-F225 HydrophobicContact CE1-CD2 4.29Å; F223-F225 AromaticContact CE1-CE1 3.82Å; F223-F225 HydrophobicContact CE1-CE1 3.82Å; F223-F225 HydrophobicContact CE1-CE2 4.12Å; F223-F225 HydrophobicContact CE1-CG 4.21Å; F223-F225 AromaticContact CE1-CZ 3.89Å; F223-F225 HydrophobicContact CE1-CZ 3.89Å; F223-F225 HydrophobicContact CZ-CE1 4.45Å; F223-M230 HydrophobicContact CE2-CE 4.32Å; F223-M230 HydrophobicContact CE2-SD 4.35Å; F223-M230 HydrophobicContact CZ-CE 3.66Å; F223-M230 HydrophobicContact CZ-SD 4.24Å
224	S	71	Confident	79.7	Confident	47 Å²	47	59 Å²	59	33%	0.329	29%	0.285	S	S	.	.			trans	-140.9	132.7	178.1	176.5	0	0	0	0	111.4	F226	S224-F226 VanDerWaalsContact C-N 3.25Å; S224-F226 PolarHBondContact O-N 3.38Å; S224-F226 PolarHBondContact OG-N 3.08Å
225	F	66.4	Low	80.1	Confident	32 Å²	32	59 Å²	59	14%	0.14	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.4	176.1	-71	-77	0	0	0	113.5	I60 F67 F223 R227 M230 I234	I60-F225 HydrophobicContact CD1-CB 4.03Å; I60-F225 HydrophobicContact CD1-CD1 4.47Å; I60-F225 HydrophobicContact CD1-CG 4.41Å; F67-F225 HydrophobicContact CE2-CE2 4.44Å; F223-F225 AromaticContact CE1-CD1 3.98Å; F223-F225 HydrophobicContact CE1-CD1 3.98Å; F223-F225 HydrophobicContact CE1-CD2 4.29Å; F223-F225 AromaticContact CE1-CE1 3.82Å; F223-F225 HydrophobicContact CE1-CE1 3.82Å; F223-F225 HydrophobicContact CE1-CE2 4.12Å; F223-F225 HydrophobicContact CE1-CG 4.21Å; F223-F225 AromaticContact CE1-CZ 3.89Å; F223-F225 HydrophobicContact CE1-CZ 3.89Å; F223-F225 HydrophobicContact CZ-CE1 4.45Å; F225-R227 PolarHBondContact O-N 3Å; F225-M230 WeakPolarHBondContact O-CB 3.31Å; F225-I234 HydrophobicContact CD1-CD1 4.18Å
226	F	76.2	Confident	80.4	Confident	56 Å²	56	54.2 Å²	54.2	25%	0.246	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	16	-168	-57	-74.5	0	0	0	114.1	I60 F61 R64 S224	I60-F226 HydrophobicContact CG1-CE1 4.13Å; I60-F226 HydrophobicContact CG1-CZ 4.25Å; I60-F226 WeakPolarHBondContact O-CZ 3.4Å; F61-F226 HydrophobicContact CD1-CD1 4.37Å; F61-F226 HydrophobicContact CD1-CE1 4.17Å; R64-F226 VanDerWaalsContact CA-CZ 3.42Å; R64-F226 HydrophobicContact CB-CE1 4.36Å; R64-F226 HydrophobicContact CB-CE2 4.48Å; R64-F226 HydrophobicContact CB-CZ 4.16Å; S224-F226 VanDerWaalsContact C-N 3.25Å; S224-F226 PolarHBondContact O-N 3.38Å; S224-F226 PolarHBondContact OG-N 3.08Å
227	R	80.8	Confident	80.6	Confident	123 Å²	123	54.2 Å²	54.2	46%	0.464	27%	0.27	S	S	.	.	S	Bend	trans	-75.2	139.4	169.2	-67.6	-174.5	176.4	172.9	1.7	109.5	F225 L229 M230 L231 R251	F225-R227 PolarHBondContact O-N 3Å; R227-L229 VanDerWaalsContact C-N 3.26Å; R227-L229 PolarHBondContact O-N 3.19Å; R227-L229 VanDerWaalsContact O-N 3.12Å; R227-M230 HydrophobicContact CB-CB 4.46Å; R227-M230 HydrophobicContact CB-CG 4.23Å; R227-M230 WeakPolarHBondContact O-CA 3.49Å; R227-M230 WeakPolarHBondContact O-CB 3.33Å; R227-M230 PolarHBondContact O-N 3.15Å; R227-L231 PolarHBondContact O-N 2.75Å; R227-R251 VanDerWaalsContact NH2-NH1 3.11Å
228	P	82.6	Confident	80.8	Confident	100 Å²	100	59.5 Å²	59.5	65%	0.649	30%	0.298	S	S	*	.	H	α-helix	trans	-50.7	-43.7	-176.5	-29.9	35	0	0	0	113.8	M230 L231 F232	P228-M230 VanDerWaalsContact C-N 3.31Å; P228-M230 PolarHBondContact O-N 3.23Å; P228-L231 WeakPolarHBondContact O-CB 3.35Å; P228-L231 PolarHBondContact O-N 3.5Å; P228-L231 VanDerWaalsContact O-N 3.17Å; P228-F232 VanDerWaalsContact O-CD2 3.23Å; P228-F232 WeakPolarHBondContact O-CD2 3.47Å; P228-F232 PolarHBondContact O-N 3.18Å
229	L	82.4	Confident	81	Confident	116 Å²	116	59.3 Å²	59.3	61%	0.607	30%	0.299	S	S	*	.	H	α-helix	trans	-60	-38.5	176.6	-175.8	62.4	0	0	0	112.9	R227 L231 F232 F233	R227-L229 VanDerWaalsContact C-N 3.26Å; R227-L229 PolarHBondContact O-N 3.19Å; R227-L229 VanDerWaalsContact O-N 3.12Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.44Å; L229-F232 PolarHBondContact O-N 3.03Å; L229-F233 HydrophobicContact CD1-CD2 4.49Å; L229-F233 HydrophobicContact CD1-CE2 3.97Å; L229-F233 HydrophobicContact CD2-CE2 4.21Å; L229-F233 HydrophobicContact CG-CD2 4.12Å; L229-F233 HydrophobicContact CG-CE2 3.73Å; L229-F233 WeakPolarHBondContact O-CD2 3.05Å; L229-F233 PolarHBondContact O-N 3.01Å
230	M	81.7	Confident	81.2	Confident	31 Å²	31	59.4 Å²	59.4	15%	0.153	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-32.8	177.8	-72.2	-60	-53.6	0	0	112.4	F223 F225 R227 P228 F232 F233 I234	F223-M230 HydrophobicContact CE2-CE 4.32Å; F223-M230 HydrophobicContact CE2-SD 4.35Å; F223-M230 HydrophobicContact CZ-CE 3.66Å; F223-M230 HydrophobicContact CZ-SD 4.24Å; F225-M230 WeakPolarHBondContact O-CB 3.31Å; R227-M230 HydrophobicContact CB-CB 4.46Å; R227-M230 HydrophobicContact CB-CG 4.23Å; R227-M230 WeakPolarHBondContact O-CA 3.49Å; R227-M230 WeakPolarHBondContact O-CB 3.33Å; R227-M230 PolarHBondContact O-N 3.15Å; P228-M230 VanDerWaalsContact C-N 3.31Å; P228-M230 PolarHBondContact O-N 3.23Å; M230-F232 VanDerWaalsContact C-N 3.32Å; M230-F232 PolarHBondContact O-N 3.22Å; M230-F233 WeakPolarHBondContact O-CB 3.31Å; M230-F233 PolarHBondContact O-N 3Å; M230-F233 HydrophobicContact SD-CD2 4.36Å; M230-I234 WeakPolarHBondContact O-CD1 2.77Å; M230-I234 WeakPolarHBondContact O-CG1 3.48Å; M230-I234 PolarHBondContact O-N 3.34Å
231	L	85.6	Confident	81.3	Confident	39 Å²	39	57.9 Å²	57.9	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-37.7	177	-64.2	177.7	0	0	0	111.6	F57 F61 R227 P228 L229 I234 A235	F57-L231 HydrophobicContact CD1-CD2 4.36Å; F57-L231 HydrophobicContact CE1-CB 3.97Å; F57-L231 HydrophobicContact CE1-CD2 4.31Å; F61-L231 HydrophobicContact CE1-CD2 4.36Å; F61-L231 HydrophobicContact CZ-CD2 4.36Å; R227-L231 PolarHBondContact O-N 2.75Å; P228-L231 WeakPolarHBondContact O-CB 3.35Å; P228-L231 PolarHBondContact O-N 3.5Å; P228-L231 VanDerWaalsContact O-N 3.17Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.44Å; L231-I234 PolarHBondContact O-N 3.32Å; L231-A235 WeakPolarHBondContact O-CB 3.15Å; L231-A235 PolarHBondContact O-N 3.48Å
232	F	86.4	Confident	81.4	Confident	111 Å²	111	59.5 Å²	59.5	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-41.4	172.7	-70.8	-75.8	0	0	0	112.3	P228 L229 M230 I234 A235 F236 M240	P228-F232 VanDerWaalsContact O-CD2 3.23Å; P228-F232 WeakPolarHBondContact O-CD2 3.47Å; P228-F232 PolarHBondContact O-N 3.18Å; L229-F232 PolarHBondContact O-N 3.03Å; M230-F232 VanDerWaalsContact C-N 3.32Å; M230-F232 PolarHBondContact O-N 3.22Å; F232-I234 PolarHBondContact O-N 3.46Å; F232-A235 PolarHBondContact O-N 2.97Å; F232-F236 PolarHBondContact O-N 3.31Å; F232-M240 HydrophobicContact CB-CG 4.47Å
233	F	83.6	Confident	81.8	Confident	22 Å²	22	60.1 Å²	60.1	10%	0.096	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-34.7	174.9	-83	-65	0	0	0	113.1	F119 L229 M230 P237 M240 A244	F119-F233 AromaticContact CD1-CD1 3.78Å; F119-F233 HydrophobicContact CD1-CD1 3.78Å; F119-F233 AromaticContact CD1-CE1 3.98Å; F119-F233 HydrophobicContact CD1-CE1 3.98Å; F119-F233 HydrophobicContact CD1-CG 4.5Å; F119-F233 HydrophobicContact CE1-CB 4.26Å; F119-F233 AromaticContact CE1-CD1 3.1Å; F119-F233 HydrophobicContact CE1-CD1 3.1Å; F119-F233 AromaticContact CE1-CE1 3.62Å; F119-F233 HydrophobicContact CE1-CE1 3.62Å; F119-F233 AromaticContact CE1-CG 3.95Å; F119-F233 HydrophobicContact CE1-CG 3.95Å; F119-F233 HydrophobicContact CE2-CB 3.84Å; F119-F233 HydrophobicContact CE2-CD1 4.19Å; F119-F233 HydrophobicContact CE2-CG 4.26Å; F119-F233 HydrophobicContact CZ-CB 3.61Å; F119-F233 AromaticContact CZ-CD1 3.35Å; F119-F233 HydrophobicContact CZ-CD1 3.35Å; F119-F233 HydrophobicContact CZ-CE1 4.3Å; F119-F233 AromaticContact CZ-CG 3.81Å; F119-F233 HydrophobicContact CZ-CG 3.81Å; L229-F233 HydrophobicContact CD1-CD2 4.49Å; L229-F233 HydrophobicContact CD1-CE2 3.97Å; L229-F233 HydrophobicContact CD2-CE2 4.21Å; L229-F233 HydrophobicContact CG-CD2 4.12Å; L229-F233 HydrophobicContact CG-CE2 3.73Å; L229-F233 WeakPolarHBondContact O-CD2 3.05Å; L229-F233 PolarHBondContact O-N 3.01Å; M230-F233 WeakPolarHBondContact O-CB 3.31Å; M230-F233 PolarHBondContact O-N 3Å; M230-F233 HydrophobicContact SD-CD2 4.36Å; F233-P237 VanDerWaalsContact O-CA 3.26Å; F233-P237 WeakPolarHBondContact O-CA 3.29Å; F233-P237 WeakPolarHBondContact O-CB 3.38Å; F233-M240 HydrophobicContact CD1-CB 3.35Å; F233-M240 HydrophobicContact CD1-CG 4.42Å; F233-M240 HydrophobicContact CE1-CB 3.55Å; F233-M240 WeakPolarHBondContact CE1-O 3.31Å; F233-M240 HydrophobicContact CG-CB 4.17Å; F233-M240 HydrophobicContact CZ-CB 4.48Å; F233-A244 HydrophobicContact CE1-CB 3.43Å; F233-A244 VanDerWaalsContact CE1-CB 3.43Å; F233-A244 HydrophobicContact CZ-CB 3.47Å; F233-A244 VanDerWaalsContact CZ-CB 3.47Å
234	I	86.4	Confident	82	Confident	25 Å²	25	57 Å²	57	13%	0.128	30%	0.301	C	S	.	.	H	α-helix	trans	-78.9	-40.8	-179.9	-67.3	166.7	0	0	0	111	I60 G87 F225 M230 L231 F232	I60-I234 HydrophobicContact CD1-CD1 3.43Å; I60-I234 VanDerWaalsContact CD1-CD1 3.43Å; I60-I234 HydrophobicContact CD1-CG2 4.48Å; G87-I234 VanDerWaalsContact CA-CG2 3.45Å; F225-I234 HydrophobicContact CD1-CD1 4.18Å; M230-I234 WeakPolarHBondContact O-CD1 2.77Å; M230-I234 WeakPolarHBondContact O-CG1 3.48Å; M230-I234 PolarHBondContact O-N 3.34Å; L231-I234 PolarHBondContact O-N 3.32Å; F232-I234 PolarHBondContact O-N 3.46Å
235	A	89.6	Confident	82.1	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.033	32%	0.324	C	S	.	.	H	α-helix	trans	-69.6	-41.5	178.7	0	0	0	0	0	112.5	Y35 F56 F57 L231 F232 P237	Y35-A235 WeakPolarHBondContact CE1-O 3.45Å; Y35-A235 PolarHBondContact OH-O 3.08Å; F56-A235 HydrophobicContact CB-CB 3.95Å; F56-A235 HydrophobicContact CD1-CB 4.06Å; F56-A235 HydrophobicContact CG-CB 4.32Å; F57-A235 HydrophobicContact CE1-CB 4.07Å; F57-A235 HydrophobicContact CZ-CB 4.48Å; L231-A235 WeakPolarHBondContact O-CB 3.15Å; L231-A235 PolarHBondContact O-N 3.48Å; F232-A235 PolarHBondContact O-N 2.97Å; A235-P237 VanDerWaalsContact C-CD 3.47Å; A235-P237 WeakPolarHBondContact O-CD 3.05Å
236	F	90	Very high	82.5	Confident	48 Å²	48	71.9 Å²	71.9	21%	0.211	35%	0.354	C	S	.	.	S	Bend	trans	-128.2	59	-172.9	-55.7	-77.5	0	0	0	113	L32 Y35 F56 F232 N238 I239 M240	L32-F236 HydrophobicContact CD1-CE1 4.15Å; L32-F236 HydrophobicContact CD1-CZ 4.29Å; Y35-F236 HydrophobicContact CD1-CE1 4.2Å; Y35-F236 AromaticContact CE1-CD1 3.66Å; Y35-F236 HydrophobicContact CE1-CD1 3.66Å; Y35-F236 AromaticContact CE1-CE1 3.73Å; Y35-F236 HydrophobicContact CE1-CE1 3.73Å; F56-F236 HydrophobicContact CD1-CE1 4.28Å; F56-F236 HydrophobicContact CD1-CZ 4.05Å; F56-F236 AromaticContact CE1-CE1 3.72Å; F56-F236 HydrophobicContact CE1-CE1 3.72Å; F56-F236 HydrophobicContact CE1-CE2 4.47Å; F56-F236 AromaticContact CE1-CZ 3.54Å; F56-F236 HydrophobicContact CE1-CZ 3.54Å; F56-F236 HydrophobicContact CZ-CZ 4.27Å; F232-F236 PolarHBondContact O-N 3.31Å; F236-N238 VanDerWaalsContact C-N 3.31Å; F236-N238 PolarHBondContact O-N 3.32Å; F236-I239 HydrophobicContact CB-CB 4.34Å; F236-I239 HydrophobicContact CB-CD1 4.44Å; F236-I239 HydrophobicContact CD1-CD1 4.39Å; F236-I239 PolarHBondContact O-N 2.87Å; F236-M240 HydrophobicContact CB-CG 4.1Å; F236-M240 WeakPolarHBondContact O-CB 3.48Å; F236-M240 WeakPolarHBondContact O-CG 3.12Å; F236-M240 PolarHBondContact O-N 3.35Å
237	P	85.8	Confident	82.2	Confident	18 Å²	18	76.2 Å²	76.2	12%	0.117	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-31.7	-168.5	25.5	-35.8	0	0	0	113.9	F233 A235 A241	F233-P237 VanDerWaalsContact O-CA 3.26Å; F233-P237 WeakPolarHBondContact O-CA 3.29Å; F233-P237 WeakPolarHBondContact O-CB 3.38Å; A235-P237 VanDerWaalsContact C-CD 3.47Å; A235-P237 WeakPolarHBondContact O-CD 3.05Å; P237-A241 WeakPolarHBondContact O-CB 3.47Å; P237-A241 PolarHBondContact O-N 3.47Å; P237-A241 VanDerWaalsContact O-N 3.07Å
238	N	85.9	Confident	81.5	Confident	112 Å²	112	75.5 Å²	75.5	60%	0.599	38%	0.384	S	S	*	.	H	α-helix	trans	-77.5	-26.3	-178.9	-63.3	-18.2	0	0	0	112.9	R118 F236 P242	R118-N238 PolarHBondContact NH1-OD1 3.41Å; F236-N238 VanDerWaalsContact C-N 3.31Å; F236-N238 PolarHBondContact O-N 3.32Å; N238-P242 VanDerWaalsContact O-CD 3.23Å; N238-P242 WeakPolarHBondContact O-CD 3.33Å
239	I	87.2	Confident	80.9	Confident	94 Å²	94	74.6 Å²	74.6	48%	0.482	37%	0.374	S	S	.	.	H	α-helix	trans	-85.7	-45.9	176.9	-58.3	174.8	0	0	0	109.1	F236 P242 I243	F236-I239 HydrophobicContact CB-CB 4.34Å; F236-I239 HydrophobicContact CB-CD1 4.44Å; F236-I239 HydrophobicContact CD1-CD1 4.39Å; F236-I239 PolarHBondContact O-N 2.87Å; I239-P242 VanDerWaalsContact O-CD 3.27Å; I239-P242 WeakPolarHBondContact O-CD 3.47Å; I239-P242 VanDerWaalsContact O-CG 3.28Å; I239-P242 WeakPolarHBondContact O-CG 3.38Å; I239-I243 HydrophobicContact CG2-CD1 3.77Å; I239-I243 WeakPolarHBondContact O-CD1 3.24Å; I239-I243 VanDerWaalsContact O-CG1 3.26Å; I239-I243 WeakPolarHBondContact O-CG1 3.3Å
240	M	83.6	Confident	80.3	Confident	43 Å²	43	77.4 Å²	77.4	21%	0.212	38%	0.381	C	S	.	.	H	α-helix	trans	-75.6	-35.3	-173.2	-65.7	-65.1	139.4	0	0	112.6	F232 F233 F236 I243 A244	F232-M240 HydrophobicContact CB-CG 4.47Å; F233-M240 HydrophobicContact CD1-CB 3.35Å; F233-M240 HydrophobicContact CD1-CG 4.42Å; F233-M240 HydrophobicContact CE1-CB 3.55Å; F233-M240 WeakPolarHBondContact CE1-O 3.31Å; F233-M240 HydrophobicContact CG-CB 4.17Å; F233-M240 HydrophobicContact CZ-CB 4.48Å; F236-M240 HydrophobicContact CB-CG 4.1Å; F236-M240 WeakPolarHBondContact O-CB 3.48Å; F236-M240 WeakPolarHBondContact O-CG 3.12Å; F236-M240 PolarHBondContact O-N 3.35Å; M240-I243 HydrophobicContact CE-CD1 4.22Å; M240-I243 CarbonylContact O-C 3.55Å; M240-I243 PolarHBondContact O-N 3.48Å; M240-I243 VanDerWaalsContact O-N 3.14Å; M240-I243 HydrophobicContact SD-CD1 4.43Å; M240-A244 WeakPolarHBondContact O-CB 3.25Å; M240-A244 PolarHBondContact O-N 3.17Å
241	A	79.8	Confident	79.7	Confident	27 Å²	27	79.7 Å²	79.7	22%	0.223	39%	0.388	C	S	.	.	H	α-helix	trans	-55	-47.8	179.9	0	0	0	0	0	115.1	F119 P237 A244	F119-A241 HydrophobicContact CE1-CB 3.94Å; P237-A241 WeakPolarHBondContact O-CB 3.47Å; P237-A241 PolarHBondContact O-N 3.47Å; P237-A241 VanDerWaalsContact O-N 3.07Å; A241-A244 WeakPolarHBondContact O-CB 3.36Å
242	P	80.4	Confident	79	Confident	58 Å²	58	80.9 Å²	80.9	38%	0.377	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-38.7	174.2	25	-33.1	0	0	0	112	N238 I239 A244 R245 F246	N238-P242 VanDerWaalsContact O-CD 3.23Å; N238-P242 WeakPolarHBondContact O-CD 3.33Å; I239-P242 VanDerWaalsContact O-CD 3.27Å; I239-P242 WeakPolarHBondContact O-CD 3.47Å; I239-P242 VanDerWaalsContact O-CG 3.28Å; I239-P242 WeakPolarHBondContact O-CG 3.38Å; P242-A244 VanDerWaalsContact C-N 3.31Å; P242-A244 PolarHBondContact O-N 3.49Å; P242-R245 WeakPolarHBondContact O-CB 3.41Å; P242-R245 PolarHBondContact O-N 3.15Å; P242-F246 WeakPolarHBondContact O-CD2 3.18Å
243	I	81.8	Confident	78.4	Confident	64 Å²	64	79.5 Å²	79.5	33%	0.328	39%	0.388	S	S	.	.	H	α-helix	trans	-61.2	-39.1	178	-68.6	174.9	0	0	0	111.6	I239 M240 R245 F246 F247	I239-I243 HydrophobicContact CG2-CD1 3.77Å; I239-I243 WeakPolarHBondContact O-CD1 3.24Å; I239-I243 VanDerWaalsContact O-CG1 3.26Å; I239-I243 WeakPolarHBondContact O-CG1 3.3Å; M240-I243 HydrophobicContact CE-CD1 4.22Å; M240-I243 CarbonylContact O-C 3.55Å; M240-I243 PolarHBondContact O-N 3.48Å; M240-I243 VanDerWaalsContact O-N 3.14Å; M240-I243 HydrophobicContact SD-CD1 4.43Å; I243-R245 PolarHBondContact O-N 3.02Å; I243-F246 PolarHBondContact O-N 2.99Å; I243-F247 HydrophobicContact CG2-CD2 3.69Å; I243-F247 HydrophobicContact CG2-CE2 3.34Å; I243-F247 WeakPolarHBondContact O-CD2 3.32Å
244	A	75.6	Confident	78	Confident	28 Å²	28	83.5 Å²	83.5	23%	0.231	41%	0.406	C	S	.	.	H	α-helix	trans	-53.5	-30.8	178.1	0	0	0	0	0	113.1	F233 M240 A241 P242 F246 F247	F233-A244 HydrophobicContact CE1-CB 3.43Å; F233-A244 VanDerWaalsContact CE1-CB 3.43Å; F233-A244 HydrophobicContact CZ-CB 3.47Å; F233-A244 VanDerWaalsContact CZ-CB 3.47Å; M240-A244 WeakPolarHBondContact O-CB 3.25Å; M240-A244 PolarHBondContact O-N 3.17Å; A241-A244 WeakPolarHBondContact O-CB 3.36Å; P242-A244 VanDerWaalsContact C-N 3.31Å; P242-A244 PolarHBondContact O-N 3.49Å; A244-F246 PolarHBondContact O-N 3.2Å; A244-F247 PolarHBondContact O-N 2.85Å
245	R	71.9	Confident	77.3	Confident	217 Å²	217	83 Å²	83	82%	0.819	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.2	-178.7	-61.2	-179.7	177.8	172.2	-1.8	112.3	P242 I243	P242-R245 WeakPolarHBondContact O-CB 3.41Å; P242-R245 PolarHBondContact O-N 3.15Å; I243-R245 PolarHBondContact O-N 3.02Å
246	F	74.3	Confident	76.8	Confident	173 Å²	173	83.4 Å²	83.4	76%	0.759	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-15.5	179.3	-61.8	-77.5	0	0	0	113.2	P242 I243 A244 P248	P242-F246 WeakPolarHBondContact O-CD2 3.18Å; I243-F246 PolarHBondContact O-N 2.99Å; A244-F246 PolarHBondContact O-N 3.2Å; F246-P248 WeakPolarHBondContact O-CD 3.49Å
247	F	69.8	Low	76.3	Confident	148 Å²	148	82.1 Å²	82.1	65%	0.649	41%	0.406	S	S	*	.	S	Bend	trans	-95.4	115.5	178.7	-74.9	-73.5	0	0	0	111	I243 A244 N249	I243-F247 HydrophobicContact CG2-CD2 3.69Å; I243-F247 HydrophobicContact CG2-CE2 3.34Å; I243-F247 WeakPolarHBondContact O-CD2 3.32Å; A244-F247 PolarHBondContact O-N 2.85Å; F247-N249 PolarHBondContact O-N 3.47Å
248	P	66.3	Low	76.1	Confident	108 Å²	108	83.1 Å²	83.1	70%	0.701	41%	0.408	S	S	*	.			trans	-64.5	133.4	177.9	24.7	-31.7	0	0	0	110.6	F246	F246-P248 WeakPolarHBondContact O-CD 3.49Å
249	N	70.2	Confident	75.8	Confident	81 Å²	81	78 Å²	78	43%	0.433	38%	0.381	S	S	.	.			trans	-112.5	79.9	178.8	-175	-13.4	0	0	0	109.3	F247 R251 R252 D253	F247-N249 PolarHBondContact O-N 3.47Å; N249-R251 PolarHBondContact O-N 3.22Å; N249-R252 HydrophobicContact CB-CB 3.99Å; N249-R252 WeakPolarHBondContact O-CB 3.39Å; N249-R252 PolarHBondContact O-N 2.71Å; N249-R252 PolarHBondContact OD1-N 3.43Å; N249-D253 VanDerWaalsContact C-OD2 3.26Å; N249-D253 PolarHBondContact N-OD2 2.89Å; N249-D253 PolarHBondContact O-N 3.07Å
250	K	70.9	Confident	75.6	Confident	175 Å²	175	75.5 Å²	75.5	76%	0.761	37%	0.368	S	S	*	.	H	α-helix	trans	-46.9	-39.8	-175	-66.8	-173.2	178.9	-176.5	0	113.9	Q254	K250-Q254 WeakPolarHBondContact O-CB 3.3Å; K250-Q254 PolarHBondContact O-N 3.13Å
251	R	68.3	Low	75.6	Confident	78 Å²	78	77.7 Å²	77.7	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-65.3	-45.6	-180	-170.6	-174.6	-163.4	-153.7	5.4	112	S222 R227 N249 M255	S222-R251 PolarHBondContact O-NH1 2.69Å; S222-R251 PolarHBondContact OG-NH2 2.92Å; R227-R251 VanDerWaalsContact NH2-NH1 3.11Å; N249-R251 PolarHBondContact O-N 3.22Å; R251-M255 PolarHBondContact O-N 2.94Å
252	R	70.7	Confident	75.7	Confident	64 Å²	64	78.4 Å²	78.4	24%	0.242	38%	0.38	C	S	.	.	H	α-helix	trans	-67.9	-44.6	177.6	-179.3	-140.1	-164.9	117.2	33.5	110.7	F119 T121 N249 Q254 M255 N256	F119-R252 PolarHBondContact O-NH1 3.05Å; F119-R252 PolarHBondContact O-NH2 2.66Å; T121-R252 VanDerWaalsContact CB-CZ 3.49Å; T121-R252 PolarHBondContact OG1-NE 3.37Å; T121-R252 PolarHBondContact OG1-NH2 3.25Å; N249-R252 HydrophobicContact CB-CB 3.99Å; N249-R252 WeakPolarHBondContact O-CB 3.39Å; N249-R252 PolarHBondContact O-N 2.71Å; N249-R252 PolarHBondContact OD1-N 3.43Å; R252-Q254 VanDerWaalsContact C-N 3.31Å; R252-Q254 PolarHBondContact O-N 3.49Å; R252-M255 PolarHBondContact O-N 3.01Å; R252-N256 WeakPolarHBondContact O-CB 3.23Å; R252-N256 PolarHBondContact O-N 3.23Å
253	D	74.7	Confident	75.8	Confident	83 Å²	83	76 Å²	76	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-39	-178.4	-58.6	-25	0	0	0	110.7	N249 G257	N249-D253 VanDerWaalsContact C-OD2 3.26Å; N249-D253 PolarHBondContact N-OD2 2.89Å; N249-D253 PolarHBondContact O-N 3.07Å; D253-G257 WeakPolarHBondContact O-CA 3.49Å; D253-G257 PolarHBondContact O-N 3.32Å
254	Q	74.7	Confident	76	Confident	105 Å²	105	76.5 Å²	76.5	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-47.7	173.8	-173.1	-176.7	18.1	0	0	112.2	K250 R252 F258	K250-Q254 WeakPolarHBondContact O-CB 3.3Å; K250-Q254 PolarHBondContact O-N 3.13Å; R252-Q254 VanDerWaalsContact C-N 3.31Å; R252-Q254 PolarHBondContact O-N 3.49Å; Q254-F258 WeakPolarHBondContact O-CB 3.49Å; Q254-F258 PolarHBondContact O-N 3.06Å; Q254-F258 VanDerWaalsContact O-N 3.12Å
255	M	72.7	Confident	76.4	Confident	16 Å²	16	81.7 Å²	81.7	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-64.5	-51.5	179.3	176.9	-166.3	77.6	0	0	111.9	F220 R251 R252 F259 F346	F220-M255 VanDerWaalsContact CA-SD 3.54Å; F220-M255 HydrophobicContact CB-SD 3.62Å; F220-M255 HydrophobicContact CD2-CE 3.86Å; F220-M255 HydrophobicContact CD2-SD 3.76Å; F220-M255 HydrophobicContact CG-SD 4.19Å; R251-M255 PolarHBondContact O-N 2.94Å; R252-M255 PolarHBondContact O-N 3.01Å; M255-F259 WeakPolarHBondContact O-CD2 3.41Å; M255-F346 HydrophobicContact CE-CZ 4.02Å
256	N	77.8	Confident	77	Confident	11 Å²	11	72.2 Å²	72.2	6%	0.059	35%	0.347	C	S	.	.	H	α-helix	trans	-65.6	-42.8	-179.5	-73.7	-8.7	0	0	0	110.9	T121 K122 R252 F258 F259 I260	T121-N256 PolarHBondContact OG1-ND2 2.69Å; K122-N256 PolarHBondContact O-ND2 3.44Å; K122-N256 VanDerWaalsContact O-ND2 3.08Å; R252-N256 WeakPolarHBondContact O-CB 3.23Å; R252-N256 PolarHBondContact O-N 3.23Å; N256-F258 PolarHBondContact O-N 3.16Å; N256-F259 PolarHBondContact O-N 3.48Å; N256-I260 HydrophobicContact CB-CD1 4.2Å; N256-I260 VanDerWaalsContact O-CB 3.29Å; N256-I260 WeakPolarHBondContact O-CB 3.27Å; N256-I260 WeakPolarHBondContact O-CD1 3.42Å; N256-I260 WeakPolarHBondContact O-CG1 3.42Å; N256-I260 PolarHBondContact O-N 2.79Å
257	G	80.4	Confident	77.4	Confident	21 Å²	21	64.4 Å²	64.4	22%	0.216	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-42.9	-178.8	0	0	0	0	0	112.7	D253 N261	D253-G257 WeakPolarHBondContact O-CA 3.49Å; D253-G257 PolarHBondContact O-N 3.32Å; G257-N261 WeakPolarHBondContact O-CB 3.3Å; G257-N261 PolarHBondContact O-N 3.19Å; G257-N261 PolarHBondContact O-ND2 3.04Å; G257-N261 VanDerWaalsContact O-ND2 3.09Å
258	F	81.9	Confident	78.1	Confident	40 Å²	40	62.5 Å²	62.5	18%	0.175	31%	0.307	C	S	.	.	H	α-helix	trans	-56.3	-55.5	176.8	174.7	-99.8	0	0	0	112	P212 F213 H216 Q254 N256 N261 I262	P212-F258 HydrophobicContact CB-CD2 4.45Å; P212-F258 HydrophobicContact CB-CE1 4.43Å; P212-F258 HydrophobicContact CB-CE2 3.45Å; P212-F258 VanDerWaalsContact CB-CE2 3.45Å; P212-F258 HydrophobicContact CB-CZ 3.44Å; P212-F258 VanDerWaalsContact CB-CZ 3.44Å; F213-F258 HydrophobicContact CD1-CE1 4.41Å; F213-F258 HydrophobicContact CD2-CE1 4.33Å; F213-F258 HydrophobicContact CD2-CZ 4Å; F213-F258 HydrophobicContact CE2-CZ 4.2Å; F213-F258 HydrophobicContact CG-CE1 4.23Å; F213-F258 HydrophobicContact CG-CZ 4.35Å; H216-F258 HydrophobicContact CB-CD1 3.84Å; H216-F258 HydrophobicContact CB-CE1 4.3Å; H216-F258 HydrophobicContact CB-CG 4.41Å; H216-F258 AromaticContact CD2-CD1 3.39Å; H216-F258 WeakPolarHBondContact CD2-CD1 3.49Å; H216-F258 AromaticContact CD2-CD2 3.49Å; H216-F258 VanDerWaalsContact CD2-CD2 3.49Å; H216-F258 WeakPolarHBondContact CD2-CD2 3.49Å; H216-F258 AromaticContact CD2-CE1 3.8Å; H216-F258 AromaticContact CD2-CE2 3.88Å; H216-F258 AromaticContact CD2-CG 3.23Å; H216-F258 WeakPolarHBondContact CD2-CG 3.2Å; H216-F258 AromaticContact CG-CD1 3.77Å; H216-F258 AromaticContact CG-CG 3.85Å; H216-F258 AromaticContact NE2-CD2 3.75Å; H216-F258 AromaticContact NE2-CG 3.74Å; Q254-F258 WeakPolarHBondContact O-CB 3.49Å; Q254-F258 PolarHBondContact O-N 3.06Å; Q254-F258 VanDerWaalsContact O-N 3.12Å; N256-F258 PolarHBondContact O-N 3.16Å; F258-N261 PolarHBondContact O-N 2.84Å; F258-I262 HydrophobicContact CD1-CD1 4.17Å; F258-I262 HydrophobicContact CD2-CD1 3.96Å; F258-I262 HydrophobicContact CE1-CD1 3.59Å; F258-I262 HydrophobicContact CE2-CD1 3.35Å; F258-I262 HydrophobicContact CE2-CG1 4.45Å; F258-I262 HydrophobicContact CG-CD1 4.33Å; F258-I262 HydrophobicContact CZ-CD1 3.13Å; F258-I262 HydrophobicContact CZ-CG1 4.5Å; F258-I262 WeakPolarHBondContact O-CG1 3.43Å; F258-I262 PolarHBondContact O-N 3.21Å; F258-I262 VanDerWaalsContact O-N 3.08Å
259	F	79.1	Confident	78.9	Confident	5 Å²	5	62.9 Å²	62.9	2%	0.022	30%	0.299	C	S	.	.	H	α-helix	trans	-69.2	-42.3	-176.9	-70.4	-60.7	0	0	0	112.7	F213 H216 M255 N256 N261 I262 I263 F346 L349	F213-F259 AromaticContact CD1-CE1 3.91Å; F213-F259 HydrophobicContact CD1-CE1 3.91Å; F213-F259 HydrophobicContact CE1-CE1 4.39Å; H216-F259 HydrophobicContact CB-CD2 4.48Å; H216-F259 HydrophobicContact CB-CE2 3.61Å; H216-F259 HydrophobicContact CB-CZ 3.72Å; M255-F259 WeakPolarHBondContact O-CD2 3.41Å; N256-F259 PolarHBondContact O-N 3.48Å; F259-N261 VanDerWaalsContact C-N 3.34Å; F259-N261 PolarHBondContact O-N 3.03Å; F259-I262 PolarHBondContact O-N 2.97Å; F259-I263 HydrophobicContact CB-CD1 4.36Å; F259-I263 WeakPolarHBondContact O-CB 3.48Å; F259-I263 VanDerWaalsContact O-CD1 3.28Å; F259-I263 WeakPolarHBondContact O-CD1 3.45Å; F259-I263 WeakPolarHBondContact O-CG1 3.45Å; F259-I263 PolarHBondContact O-N 3.04Å; F259-F346 HydrophobicContact CB-CD2 3.76Å; F259-F346 HydrophobicContact CB-CE2 4.22Å; F259-F346 AromaticContact CD2-CD2 3.92Å; F259-F346 HydrophobicContact CD2-CD2 3.92Å; F259-F346 AromaticContact CD2-CE2 3.63Å; F259-F346 HydrophobicContact CD2-CE2 3.63Å; F259-F346 HydrophobicContact CE2-CE2 4.4Å; F259-F346 HydrophobicContact CG-CD2 4.03Å; F259-F346 HydrophobicContact CG-CE2 4.22Å; F259-L349 HydrophobicContact CD1-CD2 3.58Å; F259-L349 HydrophobicContact CE1-CD2 2.97Å; F259-L349 HydrophobicContact CE1-CG 4.48Å; F259-L349 HydrophobicContact CE2-CD2 4.4Å; F259-L349 HydrophobicContact CZ-CD2 3.44Å; F259-L349 VanDerWaalsContact CZ-CD2 3.44Å
260	I	82.3	Confident	79.4	Confident	40 Å²	40	59.8 Å²	59.8	21%	0.205	28%	0.282	C	S	.	.	H	α-helix	trans	-57	-50.4	176.1	-69.8	167.4	0	0	0	109.9	P123 N256 I262 I263 Q264 V342	P123-I260 HydrophobicContact CB-CG1 4.44Å; P123-I260 HydrophobicContact CG-CD1 4.41Å; P123-I260 HydrophobicContact CG-CG1 4.19Å; N256-I260 HydrophobicContact CB-CD1 4.2Å; N256-I260 VanDerWaalsContact O-CB 3.29Å; N256-I260 WeakPolarHBondContact O-CB 3.27Å; N256-I260 WeakPolarHBondContact O-CD1 3.42Å; N256-I260 WeakPolarHBondContact O-CG1 3.42Å; N256-I260 PolarHBondContact O-N 2.79Å; I260-I262 VanDerWaalsContact C-N 3.35Å; I260-I262 PolarHBondContact O-N 3.29Å; I260-I263 PolarHBondContact O-N 3.4Å; I260-Q264 HydrophobicContact CG2-CG 4.32Å; I260-Q264 WeakPolarHBondContact O-CB 3.47Å; I260-Q264 VanDerWaalsContact O-CG 3.3Å; I260-Q264 WeakPolarHBondContact O-CG 3.41Å; I260-Q264 PolarHBondContact O-N 3.13Å; I260-V342 HydrophobicContact CG1-CG1 3.95Å
261	N	84.7	Confident	79.9	Confident	90 Å²	90	56.9 Å²	56.9	48%	0.481	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-41	-177.2	-70	-18.5	0	0	0	112.1	G257 F258 F259 K265	G257-N261 WeakPolarHBondContact O-CB 3.3Å; G257-N261 PolarHBondContact O-N 3.19Å; G257-N261 PolarHBondContact O-ND2 3.04Å; G257-N261 VanDerWaalsContact O-ND2 3.09Å; F258-N261 PolarHBondContact O-N 2.84Å; F259-N261 VanDerWaalsContact C-N 3.34Å; F259-N261 PolarHBondContact O-N 3.03Å; N261-K265 WeakPolarHBondContact O-CB 3.44Å; N261-K265 VanDerWaalsContact O-CG 3.27Å; N261-K265 WeakPolarHBondContact O-CG 3.48Å; N261-K265 PolarHBondContact O-N 2.99Å
262	I	82.4	Confident	80.7	Confident	41 Å²	41	59.8 Å²	59.8	21%	0.21	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-48.2	177.8	-74.1	179.2	0	0	0	110.9	F213 F258 F259 I260 Q264 K265 I266	F213-I262 HydrophobicContact CE2-CD1 3.96Å; F213-I262 HydrophobicContact CZ-CD1 3.89Å; F213-I262 HydrophobicContact CZ-CG2 3.91Å; F258-I262 HydrophobicContact CD1-CD1 4.17Å; F258-I262 HydrophobicContact CD2-CD1 3.96Å; F258-I262 HydrophobicContact CE1-CD1 3.59Å; F258-I262 HydrophobicContact CE2-CD1 3.35Å; F258-I262 HydrophobicContact CE2-CG1 4.45Å; F258-I262 HydrophobicContact CG-CD1 4.33Å; F258-I262 HydrophobicContact CZ-CD1 3.13Å; F258-I262 HydrophobicContact CZ-CG1 4.5Å; F258-I262 WeakPolarHBondContact O-CG1 3.43Å; F258-I262 PolarHBondContact O-N 3.21Å; F258-I262 VanDerWaalsContact O-N 3.08Å; F259-I262 PolarHBondContact O-N 2.97Å; I260-I262 VanDerWaalsContact C-N 3.35Å; I260-I262 PolarHBondContact O-N 3.29Å; I262-Q264 VanDerWaalsContact C-N 3.28Å; I262-Q264 PolarHBondContact O-N 2.87Å; I262-K265 PolarHBondContact O-N 2.98Å; I262-I266 HydrophobicContact CG2-CD1 3.65Å; I262-I266 HydrophobicContact CG2-CG1 4.32Å; I262-I266 VanDerWaalsContact O-CG1 3.3Å; I262-I266 WeakPolarHBondContact O-CG1 3.05Å; I262-I266 PolarHBondContact O-N 3.28Å
263	I	82.5	Confident	81.2	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-43.8	-179.7	-66.7	159.9	0	0	0	109.9	F259 I260 I266 I267 V342 A345	F259-I263 HydrophobicContact CB-CD1 4.36Å; F259-I263 WeakPolarHBondContact O-CB 3.48Å; F259-I263 VanDerWaalsContact O-CD1 3.28Å; F259-I263 WeakPolarHBondContact O-CD1 3.45Å; F259-I263 WeakPolarHBondContact O-CG1 3.45Å; F259-I263 PolarHBondContact O-N 3.04Å; I260-I263 PolarHBondContact O-N 3.4Å; I263-I266 PolarHBondContact O-N 3.48Å; I263-I267 HydrophobicContact CG2-CD1 3.85Å; I263-I267 HydrophobicContact CG2-CG1 4.43Å; I263-I267 VanDerWaalsContact O-CG1 3.26Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 3.22Å; I263-V342 HydrophobicContact CD1-CG1 4.25Å; I263-V342 HydrophobicContact CG2-CB 4.47Å; I263-V342 HydrophobicContact CG2-CG2 3.97Å; I263-A345 HydrophobicContact CD1-CB 3.46Å; I263-A345 VanDerWaalsContact CD1-CB 3.46Å; I263-A345 HydrophobicContact CG1-CB 3.87Å; I263-A345 HydrophobicContact CG2-CB 3.98Å
264	Q	84.2	Confident	81.5	Confident	76 Å²	76	59.4 Å²	59.4	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-42.9	176.9	-75	178.7	-35.9	0	0	112.4	I260 I262 I266 I267 Q268	I260-Q264 HydrophobicContact CG2-CG 4.32Å; I260-Q264 WeakPolarHBondContact O-CB 3.47Å; I260-Q264 VanDerWaalsContact O-CG 3.3Å; I260-Q264 WeakPolarHBondContact O-CG 3.41Å; I260-Q264 PolarHBondContact O-N 3.13Å; I262-Q264 VanDerWaalsContact C-N 3.28Å; I262-Q264 PolarHBondContact O-N 2.87Å; Q264-I266 PolarHBondContact O-N 3.39Å; Q264-I267 PolarHBondContact O-N 3.11Å; Q264-Q268 WeakPolarHBondContact O-CB 3.49Å; Q264-Q268 PolarHBondContact O-N 3.1Å
265	K	85.6	Confident	81.6	Confident	136 Å²	136	59.4 Å²	59.4	59%	0.591	30%	0.3	S	S	*	.	H	α-helix	trans	-61	-42.9	174.5	-77.4	177.5	178.7	-173.7	0	112.2	N261 I262 I267 Q268 Q269	N261-K265 WeakPolarHBondContact O-CB 3.44Å; N261-K265 VanDerWaalsContact O-CG 3.27Å; N261-K265 WeakPolarHBondContact O-CG 3.48Å; N261-K265 PolarHBondContact O-N 2.99Å; I262-K265 PolarHBondContact O-N 2.98Å; K265-I267 VanDerWaalsContact C-N 3.35Å; K265-Q268 PolarHBondContact O-N 3.48Å; K265-Q269 WeakPolarHBondContact O-CB 3.35Å; K265-Q269 WeakPolarHBondContact O-CG 3.43Å; K265-Q269 PolarHBondContact O-N 3.13Å
266	I	82.7	Confident	81.6	Confident	18 Å²	18	64 Å²	64	9%	0.092	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-41.5	177.8	-65.4	167.6	0	0	0	110.4	F199 I262 I263 Q264 R270 L283	F199-I266 HydrophobicContact CB-CD1 4.33Å; I262-I266 HydrophobicContact CG2-CD1 3.65Å; I262-I266 HydrophobicContact CG2-CG1 4.32Å; I262-I266 VanDerWaalsContact O-CG1 3.3Å; I262-I266 WeakPolarHBondContact O-CG1 3.05Å; I262-I266 PolarHBondContact O-N 3.28Å; I263-I266 PolarHBondContact O-N 3.48Å; Q264-I266 PolarHBondContact O-N 3.39Å; I266-R270 VanDerWaalsContact CG2-NE 3.28Å; I266-R270 WeakPolarHBondContact O-CD 3.37Å; I266-R270 VanDerWaalsContact O-CG 3.24Å; I266-R270 WeakPolarHBondContact O-CG 3.41Å; I266-R270 PolarHBondContact O-N 3.24Å; I266-R270 VanDerWaalsContact O-N 3.14Å; I266-L283 HydrophobicContact CB-CD2 4.19Å; I266-L283 HydrophobicContact CG2-CD2 3.46Å; I266-L283 VanDerWaalsContact CG2-CD2 3.46Å
267	I	83.3	Confident	81.3	Confident	9 Å²	9	69.9 Å²	69.9	5%	0.046	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-48.9	175.4	-69.2	168.3	0	0	0	110.2	I263 Q264 K265 Q269 R270 E271 L283 L287 V341	I263-I267 HydrophobicContact CG2-CD1 3.85Å; I263-I267 HydrophobicContact CG2-CG1 4.43Å; I263-I267 VanDerWaalsContact O-CG1 3.26Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 3.22Å; Q264-I267 PolarHBondContact O-N 3.11Å; K265-I267 VanDerWaalsContact C-N 3.35Å; I267-Q269 PolarHBondContact O-N 3.44Å; I267-R270 PolarHBondContact O-N 3.4Å; I267-R270 VanDerWaalsContact O-N 3.17Å; I267-E271 WeakPolarHBondContact O-CG 3.46Å; I267-E271 PolarHBondContact O-N 3.26Å; I267-L283 HydrophobicContact CD1-CD1 4.41Å; I267-L283 HydrophobicContact CG1-CD1 4.11Å; I267-L283 HydrophobicContact CG1-CD2 4.33Å; I267-L287 HydrophobicContact CG1-CD2 4.26Å; I267-L287 HydrophobicContact CG2-CD2 4.05Å; I267-V341 HydrophobicContact CD1-CG1 4.06Å
268	Q	85.5	Confident	81.2	Confident	109 Å²	109	72.3 Å²	72.3	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-59.3	-48.2	179.5	-175.7	179.6	-0.4	0	0	112.1	Q264 K265 R270 E271 E272	Q264-Q268 WeakPolarHBondContact O-CB 3.49Å; Q264-Q268 PolarHBondContact O-N 3.1Å; K265-Q268 PolarHBondContact O-N 3.48Å; Q268-R270 PolarHBondContact O-N 3.15Å; Q268-E271 PolarHBondContact O-N 3.47Å; Q268-E271 VanDerWaalsContact O-N 3.15Å; Q268-E272 PolarHBondContact NE2-OE1 2.73Å; Q268-E272 PolarHBondContact O-N 3.32Å
269	Q	82.6	Confident	80.6	Confident	116 Å²	116	74.3 Å²	74.3	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-58.1	-35.3	177.4	-75.4	177.9	-18	0	0	112.6	K265 I267 Q273	K265-Q269 WeakPolarHBondContact O-CB 3.35Å; K265-Q269 WeakPolarHBondContact O-CG 3.43Å; K265-Q269 PolarHBondContact O-N 3.13Å; I267-Q269 PolarHBondContact O-N 3.44Å; Q269-Q273 WeakPolarHBondContact O-CG 3.49Å; Q269-Q273 PolarHBondContact O-N 2.82Å
270	R	81.6	Confident	80.2	Confident	16 Å²	16	83.4 Å²	83.4	6%	0.06	40%	0.404	C	S	.	.	H	α-helix	trans	-73.9	-35.7	178.1	-71	168.4	-175	-140.3	2.3	112.8	F199 I266 I267 Q268 E272 Q273 R278 D281 L287	F199-R270 VanDerWaalsContact C-NH2 3.33Å; F199-R270 PolarHBondContact O-NH2 2.96Å; I266-R270 VanDerWaalsContact CG2-NE 3.28Å; I266-R270 WeakPolarHBondContact O-CD 3.37Å; I266-R270 VanDerWaalsContact O-CG 3.24Å; I266-R270 WeakPolarHBondContact O-CG 3.41Å; I266-R270 PolarHBondContact O-N 3.24Å; I266-R270 VanDerWaalsContact O-N 3.14Å; I267-R270 PolarHBondContact O-N 3.4Å; I267-R270 VanDerWaalsContact O-N 3.17Å; Q268-R270 PolarHBondContact O-N 3.15Å; R270-E272 PolarHBondContact O-N 3.24Å; R270-Q273 PolarHBondContact O-N 2.96Å; R270-R278 VanDerWaalsContact O-CZ 3.26Å; R270-R278 PolarHBondContact O-NE 3.19Å; R270-R278 PolarHBondContact O-NH2 3.22Å; R270-D281 IonicContact CZ-OD1 2.71Å; R270-D281 IonicContact CZ-OD2 2.79Å; R270-D281 IonicContact NH1-OD1 2.73Å; R270-D281 PolarHBondContact NH1-OD1 3.12Å; R270-D281 IonicContact NH1-OD2 3.64Å; R270-D281 VanDerWaalsContact NH2-CG 3.28Å; R270-D281 IonicContact NH2-OD1 3.18Å; R270-D281 PolarHBondContact NH2-OD1 3.41Å; R270-D281 VanDerWaalsContact NH2-OD1 3.16Å; R270-D281 IonicContact NH2-OD2 3.68Å; R270-D281 PolarHBondContact NH2-OD2 3.39Å; R270-L287 HydrophobicContact CB-CD1 4.46Å
271	E	80.3	Confident	80	Confident	113 Å²	113	81.7 Å²	81.7	53%	0.528	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-35.1	175.5	-72.3	179.8	174.1	0	0	110.9	I267 Q268 R278 R290	I267-E271 WeakPolarHBondContact O-CG 3.46Å; I267-E271 PolarHBondContact O-N 3.26Å; Q268-E271 PolarHBondContact O-N 3.47Å; Q268-E271 VanDerWaalsContact O-N 3.15Å; E271-R278 PolarHBondContact O-NH2 2.92Å; E271-R290 IonicContact OE1-NH1 3.73Å
272	E	84.5	Confident	79.6	Confident	139 Å²	139	77.5 Å²	77.5	65%	0.65	37%	0.373	S	S	*	.	H	α-helix	trans	-73.2	-24.6	175.1	-66.4	170.2	-172.2	0	0	113.5	Q268 R270	Q268-E272 PolarHBondContact NE2-OE1 2.73Å; Q268-E272 PolarHBondContact O-N 3.32Å; R270-E272 PolarHBondContact O-N 3.24Å
273	Q	82.1	Confident	79.6	Confident	81 Å²	81	75.5 Å²	75.5	38%	0.379	36%	0.363	S	S	.	.	S	Bend	trans	-80.5	142.4	-179.7	-76.6	173.8	-2.1	0	0	113.3	Q269 R270 R278	Q269-Q273 WeakPolarHBondContact O-CG 3.49Å; Q269-Q273 PolarHBondContact O-N 2.82Å; R270-Q273 PolarHBondContact O-N 2.96Å; Q273-R278 HydrophobicContact CB-CG 4.18Å; Q273-R278 PolarHBondContact O-NE 2.94Å; Q273-R278 PolarHBondContact O-NH2 3.09Å
274	P	81.6	Confident	79.5	Confident	59 Å²	59	75.6 Å²	75.6	38%	0.383	36%	0.363	S	S	.	.			trans	-57.5	143	169.9	-21.3	31.2	0	0	0	111.9	S276 Q277 R278	P274-S276 PolarHBondContact O-N 3.12Å; P274-Q277 PolarHBondContact O-N 3.26Å; P274-R278 PolarHBondContact O-N 3.33Å
275	P	75.4	Confident	79	Confident	104 Å²	104	73.7 Å²	73.7	68%	0.675	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.9	-179	-28.3	35	0	0	0	115.2	Q277	P275-Q277 VanDerWaalsContact C-N 3.29Å; P275-Q277 PolarHBondContact O-N 3.43Å
276	S	72.9	Confident	78.7	Confident	112 Å²	112	67.3 Å²	67.3	78%	0.783	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.7	177.8	52.4	0	0	0	0	114.1	P274	P274-S276 PolarHBondContact O-N 3.12Å
277	Q	72.9	Confident	78.5	Confident	135 Å²	135	67.1 Å²	67.1	63%	0.631	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-7.7	-179.3	-65.5	-179.5	-1.7	0	0	112.7	P274 P275 R279	P274-Q277 PolarHBondContact O-N 3.26Å; P275-Q277 VanDerWaalsContact C-N 3.29Å; P275-Q277 PolarHBondContact O-N 3.43Å; Q277-R279 PolarHBondContact O-N 3.49Å
278	R	76.8	Confident	78.1	Confident	72 Å²	72	69.3 Å²	69.3	27%	0.272	34%	0.338	S	S	.	.	S	Bend	trans	-72.5	127.5	179.3	-65.9	177.5	-168.6	177.7	-4.7	110.3	R270 E271 Q273 P274	R270-R278 VanDerWaalsContact O-CZ 3.26Å; R270-R278 PolarHBondContact O-NE 3.19Å; R270-R278 PolarHBondContact O-NH2 3.22Å; E271-R278 PolarHBondContact O-NH2 2.92Å; Q273-R278 HydrophobicContact CB-CG 4.18Å; Q273-R278 PolarHBondContact O-NE 2.94Å; Q273-R278 PolarHBondContact O-NH2 3.09Å; P274-R278 PolarHBondContact O-N 3.33Å
279	R	70.6	Confident	77.2	Confident	82 Å²	82	64.8 Å²	64.8	31%	0.309	32%	0.319	S	S	.	.			trans	-64.8	134.7	174.4	-163.5	175.2	-176.9	176.8	-5.3	109.9	S196 G200 Q277 D281 Q284	S196-R279 PolarHBondContact OG-NH2 3.44Å; S196-R279 VanDerWaalsContact OG-NH2 3.15Å; G200-R279 VanDerWaalsContact CA-NH1 3.31Å; G200-R279 PolarHBondContact O-NH1 3.26Å; Q277-R279 PolarHBondContact O-N 3.49Å; R279-D281 PolarHBondContact O-N 3.46Å; R279-Q284 VanDerWaalsContact O-CB 3.24Å; R279-Q284 WeakPolarHBondContact O-CB 3.22Å
280	R	70.4	Confident	76.6	Confident	196 Å²	196	62.9 Å²	62.9	74%	0.74	31%	0.307	S	S	*	.			trans	-85.4	86.3	175.7	-68.2	-176.2	174.5	-169.2	-2.4	109.9
281	D	77.7	Confident	75.9	Confident	5 Å²	5	66 Å²	66	3%	0.027	33%	0.328	C	S	.	.	S	Bend	trans	-124.5	-179.2	177.5	57.4	37.7	0	0	0	111.7	V197 G200 R270 R279 L283 Q284 L285	V197-D281 WeakPolarHBondContact O-CB 3.46Å; G200-D281 VanDerWaalsContact CA-OD2 3.23Å; G200-D281 WeakPolarHBondContact CA-OD2 3.44Å; G200-D281 PolarHBondContact N-OD2 3.32Å; G200-D281 VanDerWaalsContact N-OD2 3.14Å; R270-D281 IonicContact CZ-OD1 2.71Å; R270-D281 IonicContact CZ-OD2 2.79Å; R270-D281 IonicContact NH1-OD1 2.73Å; R270-D281 PolarHBondContact NH1-OD1 3.12Å; R270-D281 IonicContact NH1-OD2 3.64Å; R270-D281 VanDerWaalsContact NH2-CG 3.28Å; R270-D281 IonicContact NH2-OD1 3.18Å; R270-D281 PolarHBondContact NH2-OD1 3.41Å; R270-D281 VanDerWaalsContact NH2-OD1 3.16Å; R270-D281 IonicContact NH2-OD2 3.68Å; R270-D281 PolarHBondContact NH2-OD2 3.39Å; R279-D281 PolarHBondContact O-N 3.46Å; D281-L283 VanDerWaalsContact C-N 3.31Å; D281-L283 PolarHBondContact O-N 3.12Å; D281-L283 PolarHBondContact OD1-N 3.3Å; D281-L283 VanDerWaalsContact OD1-N 3.16Å; D281-Q284 PolarHBondContact O-N 3.17Å; D281-Q284 VanDerWaalsContact O-N 3.12Å; D281-Q284 PolarHBondContact OD1-N 3.23Å; D281-L285 WeakPolarHBondContact O-CG 3.27Å; D281-L285 PolarHBondContact O-N 2.85Å
282	F	76.1	Confident	74.8	Confident	1 Å²	1	62.3 Å²	62.3	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-56	-44.7	179.4	-78.8	-85.8	0	0	0	112.3	F147 M155 V197 A198 Q284 L285 M286 F348 L493	F147-F282 AromaticContact CD1-CE1 3.94Å; F147-F282 HydrophobicContact CD1-CE1 3.94Å; F147-F282 AromaticContact CD1-CZ 3.57Å; F147-F282 HydrophobicContact CD1-CZ 3.57Å; F147-F282 AromaticContact CD2-CE1 3.79Å; F147-F282 HydrophobicContact CD2-CE1 3.79Å; F147-F282 HydrophobicContact CD2-CZ 4.28Å; F147-F282 AromaticContact CE1-CE1 3.55Å; F147-F282 HydrophobicContact CE1-CE1 3.55Å; F147-F282 HydrophobicContact CE1-CE2 4.24Å; F147-F282 AromaticContact CE1-CZ 3.22Å; F147-F282 HydrophobicContact CE1-CZ 3.22Å; F147-F282 HydrophobicContact CE2-CD1 4.31Å; F147-F282 AromaticContact CE2-CE1 3.39Å; F147-F282 HydrophobicContact CE2-CE1 3.39Å; F147-F282 HydrophobicContact CE2-CZ 4Å; F147-F282 HydrophobicContact CG-CE1 4.06Å; F147-F282 HydrophobicContact CG-CZ 4.1Å; F147-F282 HydrophobicContact CZ-CD1 4.23Å; F147-F282 AromaticContact CZ-CE1 3.25Å; F147-F282 HydrophobicContact CZ-CE1 3.25Å; F147-F282 AromaticContact CZ-CZ 3.47Å; F147-F282 HydrophobicContact CZ-CZ 3.47Å; F147-F282 VanDerWaalsContact CZ-CZ 3.47Å; M155-F282 HydrophobicContact CE-CD2 3.78Å; M155-F282 HydrophobicContact CE-CE2 3.18Å; M155-F282 HydrophobicContact CE-CZ 3.6Å; M155-F282 HydrophobicContact SD-CE2 3.72Å; M155-F282 HydrophobicContact SD-CZ 4.27Å; V197-F282 WeakPolarHBondContact O-CD2 3.29Å; A198-F282 HydrophobicContact CB-CB 4.22Å; A198-F282 HydrophobicContact CB-CD2 4.06Å; A198-F282 HydrophobicContact CB-CG 4.45Å; F282-Q284 VanDerWaalsContact C-N 3.28Å; F282-Q284 PolarHBondContact O-N 3.35Å; F282-L285 PolarHBondContact O-N 3.13Å; F282-M286 VanDerWaalsContact O-CG 3.3Å; F282-M286 WeakPolarHBondContact O-CG 3.44Å; F282-M286 PolarHBondContact O-N 2.84Å; F282-F348 HydrophobicContact CD1-CD2 4.24Å; F282-F348 AromaticContact CD1-CE2 3.8Å; F282-F348 HydrophobicContact CD1-CE2 3.8Å; F282-F348 HydrophobicContact CE1-CE2 4.23Å; F282-F348 HydrophobicContact CG-CD2 4.46Å; F282-F348 HydrophobicContact CG-CE2 4.44Å; F282-L493 HydrophobicContact CE2-CD2 4.14Å; F282-L493 HydrophobicContact CZ-CD2 4.4Å
283	L	81.8	Confident	73.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-37.6	179.1	178.1	59.9	0	0	0	111.6	A198 F199 I266 I267 D281 M286 L287 V341	A198-L283 PolarHBondContact O-N 2.93Å; F199-L283 HydrophobicContact CD1-CB 4.4Å; F199-L283 HydrophobicContact CD1-CD2 4.35Å; I266-L283 HydrophobicContact CB-CD2 4.19Å; I266-L283 HydrophobicContact CG2-CD2 3.46Å; I266-L283 VanDerWaalsContact CG2-CD2 3.46Å; I267-L283 HydrophobicContact CD1-CD1 4.41Å; I267-L283 HydrophobicContact CG1-CD1 4.11Å; I267-L283 HydrophobicContact CG1-CD2 4.33Å; D281-L283 VanDerWaalsContact C-N 3.31Å; D281-L283 PolarHBondContact O-N 3.12Å; D281-L283 PolarHBondContact OD1-N 3.3Å; D281-L283 VanDerWaalsContact OD1-N 3.16Å; L283-M286 HydrophobicContact CB-CE 4.3Å; L283-M286 HydrophobicContact CD1-CE 3.89Å; L283-M286 PolarHBondContact O-N 2.8Å; L283-L287 HydrophobicContact CD1-CG 4.45Å; L283-L287 HydrophobicContact CG-CD1 4.35Å; L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.17Å; L283-L287 PolarHBondContact O-N 3.05Å; L283-V341 HydrophobicContact CD1-CG1 3.66Å
284	Q	81.2	Confident	71.3	Confident	9 Å²	9	66.8 Å²	66.8	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-66.9	-41.5	177.3	-170.6	56.5	49.1	0	0	111.4	R279 D281 F282 M286 L287 D288	R279-Q284 VanDerWaalsContact O-CB 3.24Å; R279-Q284 WeakPolarHBondContact O-CB 3.22Å; D281-Q284 PolarHBondContact O-N 3.17Å; D281-Q284 VanDerWaalsContact O-N 3.12Å; D281-Q284 PolarHBondContact OD1-N 3.23Å; F282-Q284 VanDerWaalsContact C-N 3.28Å; F282-Q284 PolarHBondContact O-N 3.35Å; Q284-M286 VanDerWaalsContact C-N 3.28Å; Q284-M286 PolarHBondContact O-N 3Å; Q284-L287 WeakPolarHBondContact O-CB 3.49Å; Q284-L287 PolarHBondContact O-N 3.14Å; Q284-L287 VanDerWaalsContact O-N 3.11Å; Q284-D288 PolarHBondContact NE2-OD1 2.89Å; Q284-D288 VanDerWaalsContact O-CG 3.23Å; Q284-D288 PolarHBondContact O-N 3.08Å
285	L	73.7	Confident	69	Low	35 Å²	35	69.6 Å²	69.6	18%	0.183	36%	0.36	C	S	.	.	H	α-helix	trans	-60.4	-39.2	175.1	-66.5	171.2	0	0	0	111.8	S146 D281 F282 D288 A289	S146-L285 VanDerWaalsContact OG-CD1 3.27Å; S146-L285 WeakPolarHBondContact OG-CD1 3.38Å; D281-L285 WeakPolarHBondContact O-CG 3.27Å; D281-L285 PolarHBondContact O-N 2.85Å; F282-L285 PolarHBondContact O-N 3.13Å; L285-D288 PolarHBondContact O-N 3.14Å; L285-A289 WeakPolarHBondContact O-CB 3.48Å; L285-A289 PolarHBondContact O-N 3.19Å
286	M	78.2	Confident	67.3	Low	2 Å²	2	68.3 Å²	68.3	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-66.4	-37.7	175.1	-63	-167.7	-72.7	0	0	112.5	L143 F282 L283 Q284 R290 M336 V341 Q344 A345	L143-M286 HydrophobicContact CD2-CG 3.7Å; L143-M286 HydrophobicContact CD2-SD 3.76Å; F282-M286 VanDerWaalsContact O-CG 3.3Å; F282-M286 WeakPolarHBondContact O-CG 3.44Å; F282-M286 PolarHBondContact O-N 2.84Å; L283-M286 HydrophobicContact CB-CE 4.3Å; L283-M286 HydrophobicContact CD1-CE 3.89Å; L283-M286 PolarHBondContact O-N 2.8Å; Q284-M286 VanDerWaalsContact C-N 3.28Å; Q284-M286 PolarHBondContact O-N 3Å; M286-R290 PolarHBondContact O-N 3.4Å; M286-R290 VanDerWaalsContact O-N 3.11Å; M286-M336 HydrophobicContact CB-CE 3.84Å; M286-M336 HydrophobicContact CG-CE 3.82Å; M286-V341 HydrophobicContact CB-CG1 4.26Å; M286-V341 HydrophobicContact CB-CG2 4.29Å; M286-V341 HydrophobicContact CE-CG1 4.32Å; M286-Q344 HydrophobicContact CE-CB 4.15Å; M286-Q344 HydrophobicContact SD-CB 3.28Å; M286-Q344 WeakPolarHBondContact SD-CB 3.23Å; M286-Q344 HydrophobicContact SD-CG 3.81Å; M286-A345 HydrophobicContact CE-CB 4.34Å
287	L	78.6	Confident	65.5	Low	15 Å²	15	67.9 Å²	67.9	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-68.8	-40.3	175.3	-68.4	172.7	0	0	0	111.9	I267 R270 L283 Q284 A289 R290 T291	I267-L287 HydrophobicContact CG1-CD2 4.26Å; I267-L287 HydrophobicContact CG2-CD2 4.05Å; R270-L287 HydrophobicContact CB-CD1 4.46Å; L283-L287 HydrophobicContact CD1-CG 4.45Å; L283-L287 HydrophobicContact CG-CD1 4.35Å; L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.17Å; L283-L287 PolarHBondContact O-N 3.05Å; Q284-L287 WeakPolarHBondContact O-CB 3.49Å; Q284-L287 PolarHBondContact O-N 3.14Å; Q284-L287 VanDerWaalsContact O-N 3.11Å; L287-A289 VanDerWaalsContact C-N 3.33Å; L287-A289 PolarHBondContact O-N 3.12Å; L287-R290 VanDerWaalsContact O-CB 3.29Å; L287-R290 WeakPolarHBondContact O-CB 3.34Å; L287-R290 PolarHBondContact O-N 3.3Å; L287-R290 VanDerWaalsContact O-N 3.11Å; L287-T291 PolarHBondContact O-N 2.88Å
288	D	75.1	Confident	63.8	Low	55 Å²	55	68 Å²	68	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-64.8	-41.3	177.8	-66.8	-20.3	0	0	0	110.7	Q284 L285 R290 T291 G292	Q284-D288 PolarHBondContact NE2-OD1 2.89Å; Q284-D288 VanDerWaalsContact O-CG 3.23Å; Q284-D288 PolarHBondContact O-N 3.08Å; L285-D288 PolarHBondContact O-N 3.14Å; D288-R290 VanDerWaalsContact C-N 3.28Å; D288-R290 PolarHBondContact O-N 3.46Å; D288-T291 PolarHBondContact O-N 2.93Å; D288-T291 PolarHBondContact O-OG1 3.47Å; D288-G292 PolarHBondContact O-N 3.47Å
289	A	68.2	Low	61.6	Low	14 Å²	14	72.9 Å²	72.9	12%	0.116	38%	0.377	C	S	.	.	H	α-helix	trans	-64	-30	172.9	0	0	0	0	0	113.4	I142 L285 L287 T291 G292 K334 M336	I142-A289 HydrophobicContact CG2-CB 3.25Å; L285-A289 WeakPolarHBondContact O-CB 3.48Å; L285-A289 PolarHBondContact O-N 3.19Å; L287-A289 VanDerWaalsContact C-N 3.33Å; L287-A289 PolarHBondContact O-N 3.12Å; A289-T291 VanDerWaalsContact C-N 3.3Å; A289-T291 PolarHBondContact O-N 3.48Å; A289-G292 PolarHBondContact O-N 2.86Å; A289-K334 VanDerWaalsContact O-O 3.11Å; A289-M336 HydrophobicContact CB-CE 4.16Å
290	R	69.9	Low	59.7	Low	76 Å²	76	77.1 Å²	77.1	29%	0.287	40%	0.4	S	S	.	.	H	α-helix	trans	-64.1	-35.3	169.7	179.8	-175.4	-176	-168.7	10.3	111.4	E271 M286 L287 D288 G292 M335 M336 E338	E271-R290 IonicContact OE1-NH1 3.73Å; M286-R290 PolarHBondContact O-N 3.4Å; M286-R290 VanDerWaalsContact O-N 3.11Å; L287-R290 VanDerWaalsContact O-CB 3.29Å; L287-R290 WeakPolarHBondContact O-CB 3.34Å; L287-R290 PolarHBondContact O-N 3.3Å; L287-R290 VanDerWaalsContact O-N 3.11Å; D288-R290 VanDerWaalsContact C-N 3.28Å; D288-R290 PolarHBondContact O-N 3.46Å; R290-G292 VanDerWaalsContact C-N 3.33Å; R290-M335 WeakPolarHBondContact O-CE 3.37Å; R290-M336 WeakPolarHBondContact CG-O 3.43Å; R290-E338 IonicContact NH2-OE2 2.85Å
291	T	66	Low	57.9	Low	80 Å²	80	74.5 Å²	74.5	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-82.8	-5.8	-179	66.9	0	0	0	0	114.5	L287 D288 A289	L287-T291 PolarHBondContact O-N 2.88Å; D288-T291 PolarHBondContact O-N 2.93Å; D288-T291 PolarHBondContact O-OG1 3.47Å; A289-T291 VanDerWaalsContact C-N 3.3Å; A289-T291 PolarHBondContact O-N 3.48Å
292	G	57.4	Low	55.6	Low	37 Å²	37	80.2 Å²	80.2	38%	0.381	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	21	175.2	0	0	0	0	0	115.1	D288 A289 R290	D288-G292 PolarHBondContact O-N 3.47Å; A289-G292 PolarHBondContact O-N 2.86Å; R290-G292 VanDerWaalsContact C-N 3.33Å
293	K	49.8	Very low	53.7	Low	170 Å²	170	84.2 Å²	84.2	74%	0.739	45%	0.45	S	S	*	.			trans	-79.9	-10.6	-175.8	-74.3	-177.5	177.9	179.7	0	115.4
294	E	42.5	Very low	51	Low	143 Å²	143	87.2 Å²	87.2	67%	0.668	47%	0.474	S	S	*	.			trans	-131.9	111.5	175.3	-73	-174.9	164.1	0	0	111.5
295	S	34.8	Very low	48.7	Very low	118 Å²	118	90.5 Å²	90.5	83%	0.825	49%	0.492	S	S	*	.			trans	-95.5	102.3	171.5	57.8	0	0	0	0	109.7
296	V	39.4	Very low	46.9	Very low	78 Å²	78	92.1 Å²	92.1	47%	0.473	51%	0.505	S	S	.	.			trans	-84.9	129.1	168.9	-174.8	0	0	0	0	108.3	K334	V296-K334 WeakPolarHBondContact O-CE 3.5Å; V296-K334 PolarHBondContact O-NZ 2.91Å
297	S	34.1	Very low	44.9	Very low	103 Å²	103	96.3 Å²	96.3	72%	0.72	53%	0.534	S	S	*	.			trans	-65.6	153	176.3	49.2	0	0	0	0	111.5
298	L	38.3	Very low	42.9	Very low	137 Å²	137	102 Å²	102	72%	0.717	56%	0.561	S	S	*	*	S	Bend	trans	-96.8	14.8	-173.6	-97.7	160.5	0	0	0	113.6
299	E	30.7	Very low	40.9	Very low	175 Å²	175	106.9 Å²	106.9	82%	0.818	58%	0.581	S	S	*	*			trans	-105.9	13.3	-166.5	-63.4	-166.2	170.3	0	0	115.8
300	H	30	Very low	39.2	Very low	170 Å²	170	112.9 Å²	112.9	79%	0.787	61%	0.611	S	S	*	*			trans	-136.3	80.8	167.8	-108.2	52.8	0	0	0	109.9
301	F	32.6	Very low	37.4	Very low	141 Å²	141	113 Å²	113	62%	0.618	63%	0.629	S	S	*	*			trans	-105.9	70.7	158.9	-166.1	-89.1	0	0	0	107	P485	F301-P485 HydrophobicContact CE1-CB 3.91Å; F301-P485 HydrophobicContact CE1-CG 3.72Å; F301-P485 HydrophobicContact CZ-CB 3.59Å; F301-P485 HydrophobicContact CZ-CG 3.93Å
302	D	30	Very low	35.5	Very low	126 Å²	126	114.2 Å²	114.2	67%	0.674	64%	0.64	S	S	*	*			trans	-81.3	130.7	163	-89.2	-29.8	0	0	0	108.7	A304	D302-A304 VanDerWaalsContact C-N 3.26Å; D302-A304 PolarHBondContact O-N 3.08Å
303	T	35	Very low	34	Very low	85 Å²	85	119 Å²	119	52%	0.521	67%	0.666	S	S	.	*			trans	-61.5	85.6	171.1	35.5	0	0	0	0	109.5	V105 N305	V105-T303 HydrophobicContact CG1-CG2 4.37Å; T303-N305 PolarHBondContact O-N 3.19Å
304	A	26.3	Very low	33	Very low	62 Å²	62	115.3 Å²	115.3	51%	0.512	66%	0.661	S	S	.	*			trans	-66.4	103.4	164.3	0	0	0	0	0	108.1	D302 P306	D302-A304 VanDerWaalsContact C-N 3.26Å; D302-A304 PolarHBondContact O-N 3.08Å; A304-P306 VanDerWaalsContact O-CD 3.26Å; A304-P306 WeakPolarHBondContact O-CD 3.44Å
305	N	31.5	Very low	32.2	Very low	78 Å²	78	116 Å²	116	42%	0.417	67%	0.67	S	S	.	*			trans	-60.4	116.3	154.1	-92.6	-18	0	0	0	106.6	T303 S307 E308	T303-N305 PolarHBondContact O-N 3.19Å; N305-S307 PolarHBondContact O-N 3.38Å; N305-E308 PolarHBondContact O-N 3.13Å
306	P	36.7	Very low	31.9	Very low	70 Å²	70	121.7 Å²	121.7	46%	0.455	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67	-5.8	179.6	-16.9	30.9	0	0	0	113.3	A304 E308 M491	A304-P306 VanDerWaalsContact O-CD 3.26Å; A304-P306 WeakPolarHBondContact O-CD 3.44Å; P306-E308 VanDerWaalsContact C-N 3.28Å; P306-M491 HydrophobicContact CB-CE 3.88Å; P306-M491 HydrophobicContact CG-CE 3.76Å
307	S	36.6	Very low	31.2	Very low	89 Å²	89	127.2 Å²	127.2	62%	0.622	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-11.7	174.2	48	0	0	0	0	113.7	N305	N305-S307 PolarHBondContact O-N 3.38Å
308	E	36.8	Very low	30.8	Very low	136 Å²	136	131.7 Å²	131.7	64%	0.636	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-14.8	-175.9	-73.9	172.3	178.4	0	0	114.3	N305 P306 L310	N305-E308 PolarHBondContact O-N 3.13Å; P306-E308 VanDerWaalsContact C-N 3.28Å; E308-L310 VanDerWaalsContact C-N 3.32Å; E308-L310 PolarHBondContact O-N 3.18Å
309	E	31.9	Very low	30.1	Very low	156 Å²	156	129 Å²	129	73%	0.729	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	1	179.6	-79.6	-171.6	164.5	0	0	114.9
310	L	33.4	Very low	29.8	Very low	140 Å²	140	126.5 Å²	126.5	73%	0.733	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	0.8	171.5	-117.8	89.3	0	0	0	113.9	E308	E308-L310 VanDerWaalsContact C-N 3.32Å; E308-L310 PolarHBondContact O-N 3.18Å
311	A	31.8	Very low	29.6	Very low	80 Å²	80	122.3 Å²	122.3	66%	0.661	71%	0.705	S	S	*	*	S	Bend	trans	-145.9	81.5	-178.9	0	0	0	0	0	111.7
312	S	25.4	Very low	29.2	Very low	105 Å²	105	124.7 Å²	124.7	73%	0.734	72%	0.717	S	S	*	*			trans	167.5	108.1	138	57.8	0	0	0	0	111.2
313	C	26.3	Very low	28.9	Very low	138 Å²	138	127.6 Å²	127.6	93%	0.932	73%	0.727	S	S	*	*			trans	-97.8	91.9	150.7	-79	0	0	0	0	107.1
314	S	28.1	Very low	28.4	Very low	91 Å²	91	132.7 Å²	132.7	64%	0.636	75%	0.745	S	S	*	*			trans	-173.7	138	153.2	50.8	0	0	0	0	111.1
315	D	26.2	Very low	28.4	Very low	157 Å²	157	138.9 Å²	138.9	84%	0.84	76%	0.763	S	S	*	*			trans	87.9	103.4	157	-51.5	-26.2	0	0	0	119.6
316	R	29.8	Very low	28.1	Very low	239 Å²	239	140.5 Å²	140.5	90%	0.902	78%	0.781	S	S	*	*			trans	-74.4	139.1	155.7	-65.2	172.8	172.6	174.1	-2.4	108.1
317	E	23.6	Very low	27.8	Very low	194 Å²	194	143 Å²	143	91%	0.907	80%	0.797	S	S	*	*			trans	-168.9	163.3	136.2	-109.7	174	-161.5	0	0	113.5
318	H	26	Very low	27.7	Very low	197 Å²	197	143.9 Å²	143.9	91%	0.912	81%	0.809	S	S	*	*			trans	-67.7	150.7	-156.5	-76.3	0.5	0	0	0	117.7
319	G	24.5	Very low	27.5	Very low	80 Å²	80	148.7 Å²	148.7	83%	0.825	82%	0.822	S	S	*	*			trans	-155.7	119.6	162.7	0	0	0	0	0	112.5
320	S	22.9	Very low	27.5	Very low	123 Å²	123	150 Å²	150	86%	0.86	83%	0.828	S	S	*	*			trans	-66.6	147.4	-169.8	-176.6	0	0	0	0	115.3
321	A	25.3	Very low	27.7	Very low	81 Å²	81	149.1 Å²	149.1	67%	0.669	83%	0.83	S	S	*	*			trans	-82.5	132.1	178.8	0	0	0	0	0	112.7
322	H	25.8	Very low	28.4	Very low	192 Å²	192	152.8 Å²	152.8	89%	0.889	84%	0.838	S	S	*	*			trans	-109.5	110.8	156.5	-92.1	-59.3	0	0	0	109.1
323	Q	23.7	Very low	29.8	Very low	186 Å²	186	157.5 Å²	157.5	87%	0.869	84%	0.84	S	S	*	*			trans	-81.4	126.8	172.8	-73.2	174.6	-14.4	0	0	109.5
324	Q	24.3	Very low	31.5	Very low	193 Å²	193	152.8 Å²	152.8	90%	0.902	80%	0.803	S	S	*	*			trans	-127.4	110.7	163.6	-154.8	160.4	9.9	0	0	107.8
325	E	24.9	Very low	33.9	Very low	191 Å²	191	152.3 Å²	152.3	89%	0.893	79%	0.792	S	S	*	*			trans	-64.6	136.7	-174.2	-69.3	179.1	146.9	0	0	112.1
326	S	26	Very low	36.7	Very low	113 Å²	113	145 Å²	145	79%	0.79	75%	0.753	S	S	*	*			trans	-123.7	147.4	167	-84.8	0	0	0	0	109.7
327	P	31.1	Very low	39.5	Very low	121 Å²	121	136.7 Å²	136.7	79%	0.786	73%	0.729	S	S	*	*			trans	-74.1	148.7	-160.3	29	-34.2	0	0	0	113.3	R329	P327-R329 PolarHBondContact O-N 2.79Å
328	A	33.8	Very low	42.3	Very low	108 Å²	108	131.4 Å²	131.4	89%	0.893	70%	0.704	S	S	*	*			trans	-42	110.9	-173.6	0	0	0	0	0	114.7
329	R	33.5	Very low	45.3	Very low	237 Å²	237	125.4 Å²	125.4	89%	0.894	68%	0.679	S	S	*	*			trans	-94.1	123.9	160.8	-71.5	-176.7	177.4	177.5	1.1	108.5	P327	P327-R329 PolarHBondContact O-N 2.79Å
330	H	32	Very low	48.4	Very low	184 Å²	184	121.7 Å²	121.7	85%	0.852	64%	0.64	S	S	*	*			trans	-50.4	130.4	170.6	-85.6	-76.1	0	0	0	110.4	L332	H330-L332 PolarHBondContact O-N 2.97Å
331	P	37	Very low	51.4	Low	122 Å²	122	115.9 Å²	115.9	79%	0.792	60%	0.599	S	S	*	*			trans	-68	107.5	179	25.3	-30.2	0	0	0	109	R333	P331-R333 PolarHBondContact O-N 3.01Å
332	L	46.2	Very low	54.4	Low	157 Å²	157	112.4 Å²	112.4	82%	0.822	57%	0.57	S	S	*	*			trans	-59.4	110.1	169.6	-85	158.7	0	0	0	108.3	H330 K334	H330-L332 PolarHBondContact O-N 2.97Å; L332-K334 PolarHBondContact O-N 3.17Å; L332-K334 VanDerWaalsContact O-N 3.12Å
333	R	53.8	Low	57.4	Low	204 Å²	204	103.2 Å²	103.2	77%	0.77	53%	0.527	S	S	*	.			trans	-56.8	115.9	175.9	-143	173.7	-178.9	-179.6	-0.9	108.6	P331 M335	P331-R333 PolarHBondContact O-N 3.01Å; R333-M335 VanDerWaalsContact C-N 3.32Å; R333-M335 HydrophobicContact CG-SD 4.34Å; R333-M335 PolarHBondContact O-N 2.77Å
334	K	62.8	Low	60.6	Low	38 Å²	38	94.4 Å²	94.4	17%	0.165	49%	0.486	C	S	.	.			trans	-74.3	76.4	-176.1	-72.4	-175.8	174.7	-173.3	0	111.2	I142 A289 V296 L332	I142-K334 HydrophobicContact CD1-CB 4.25Å; I142-K334 HydrophobicContact CG1-CB 4.38Å; A289-K334 VanDerWaalsContact O-O 3.11Å; V296-K334 WeakPolarHBondContact O-CE 3.5Å; V296-K334 PolarHBondContact O-NZ 2.91Å; L332-K334 PolarHBondContact O-N 3.17Å; L332-K334 VanDerWaalsContact O-N 3.12Å
335	M	78.9	Confident	63.6	Low	81 Å²	81	85.2 Å²	85.2	40%	0.399	44%	0.443	S	S	.	.			trans	-111.2	141	175.7	-63.8	169.8	80.6	0	0	111	R290 R333	R290-M335 WeakPolarHBondContact O-CE 3.37Å; R333-M335 VanDerWaalsContact C-N 3.32Å; R333-M335 HydrophobicContact CG-SD 4.34Å; R333-M335 PolarHBondContact O-N 2.77Å
336	M	84.5	Confident	66.5	Low	4 Å²	4	76.3 Å²	76.3	2%	0.02	40%	0.402	C	S	.	.			trans	-92.7	140.8	168	-79.8	-165.2	-93.9	0	0	110.9	V139 I142 L143 M286 A289 R290 E340 V341 Q344	V139-M336 HydrophobicContact CG1-SD 4.08Å; V139-M336 HydrophobicContact CG2-CG 4.29Å; V139-M336 HydrophobicContact CG2-SD 4.48Å; I142-M336 HydrophobicContact CB-CE 4.05Å; I142-M336 HydrophobicContact CD1-CG 3.88Å; I142-M336 HydrophobicContact CG2-CE 3.3Å; L143-M336 HydrophobicContact CD2-CE 4Å; M286-M336 HydrophobicContact CB-CE 3.84Å; M286-M336 HydrophobicContact CG-CE 3.82Å; A289-M336 HydrophobicContact CB-CE 4.16Å; R290-M336 WeakPolarHBondContact CG-O 3.43Å; M336-E340 HydrophobicContact CB-CB 4.47Å; M336-V341 HydrophobicContact CB-CG2 4.08Å; M336-Q344 HydrophobicContact SD-CG 4.34Å
337	T	87.9	Confident	69.5	Low	64 Å²	64	71.6 Å²	71.6	39%	0.393	37%	0.368	S	S	.	.			trans	-76.1	159.7	170.6	61.6	0	0	0	0	111.1	D339 E340 V341	T337-D339 VanDerWaalsContact C-N 3.31Å; T337-D339 PolarHBondContact O-N 2.96Å; T337-E340 PolarHBondContact N-OE2 3.3Å; T337-E340 WeakPolarHBondContact O-CB 3.13Å; T337-E340 PolarHBondContact O-N 2.8Å; T337-E340 VanDerWaalsContact O-N 3.09Å; T337-E340 WeakPolarHBondContact OG1-CB 3.48Å; T337-E340 VanDerWaalsContact OG1-CD 3.29Å; T337-E340 WeakPolarHBondContact OG1-CG 3.4Å; T337-E340 PolarHBondContact OG1-N 2.97Å; T337-E340 PolarHBondContact OG1-OE2 3.47Å; T337-V341 WeakPolarHBondContact O-CG2 3.48Å; T337-V341 PolarHBondContact O-N 3.28Å
338	E	83.8	Confident	72.2	Confident	83 Å²	83	66.7 Å²	66.7	39%	0.388	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-42.7	176	-172.5	179.4	141.2	0	0	111.9	R290 E340 V341 V342	R290-E338 IonicContact NH2-OE2 2.85Å; E338-E340 VanDerWaalsContact C-N 3.27Å; E338-E340 PolarHBondContact O-N 3.22Å; E338-V341 PolarHBondContact O-N 2.79Å; E338-V341 VanDerWaalsContact O-N 3.12Å; E338-V342 WeakPolarHBondContact O-CG2 3.19Å; E338-V342 PolarHBondContact O-N 3.31Å
339	D	87.5	Confident	74.8	Confident	72 Å²	72	61.7 Å²	61.7	39%	0.385	29%	0.292	S	S	.	.	H	α-helix	trans	-57	-40.4	173.4	-72.3	-54.1	0	0	0	112.2	K122 D126 T337 G343	K122-D339 IonicContact NZ-OD1 3.44Å; K122-D339 PolarHBondContact NZ-OD1 3.06Å; K122-D339 IonicContact NZ-OD2 3.4Å; K122-D339 PolarHBondContact NZ-OD2 2.83Å; D126-D339 HydrophobicContact CB-CB 4.39Å; T337-D339 VanDerWaalsContact C-N 3.31Å; T337-D339 PolarHBondContact O-N 2.96Å; D339-G343 PolarHBondContact O-N 3.47Å
340	E	89.6	Confident	77.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-68.1	-40.4	176.3	-75.7	166.6	164.6	0	0	111.2	D126 R135 R138 M336 T337 E338 G343 Q344	D126-E340 HydrophobicContact CB-CG 4.3Å; R135-E340 IonicContact CZ-OE1 3.42Å; R135-E340 IonicContact NE-OE1 2.75Å; R135-E340 PolarHBondContact NE-OE1 3.19Å; R135-E340 VanDerWaalsContact NE-OE1 3.16Å; R135-E340 IonicContact NH2-OE1 3.81Å; R135-E340 PolarHBondContact NH2-OE1 2.97Å; R138-E340 IonicContact NH2-OE1 2.77Å; R138-E340 PolarHBondContact NH2-OE1 2.66Å; R138-E340 IonicContact NH2-OE2 2.86Å; R138-E340 PolarHBondContact NH2-OE2 2.87Å; R138-E340 VanDerWaalsContact NH2-OE2 3.15Å; M336-E340 HydrophobicContact CB-CB 4.47Å; T337-E340 PolarHBondContact N-OE2 3.3Å; T337-E340 WeakPolarHBondContact O-CB 3.13Å; T337-E340 PolarHBondContact O-N 2.8Å; T337-E340 VanDerWaalsContact O-N 3.09Å; T337-E340 WeakPolarHBondContact OG1-CB 3.48Å; T337-E340 VanDerWaalsContact OG1-CD 3.29Å; T337-E340 WeakPolarHBondContact OG1-CG 3.4Å; T337-E340 PolarHBondContact OG1-N 2.97Å; T337-E340 PolarHBondContact OG1-OE2 3.47Å; E338-E340 VanDerWaalsContact C-N 3.27Å; E338-E340 PolarHBondContact O-N 3.22Å; E340-G343 PolarHBondContact O-N 3.29Å; E340-Q344 WeakPolarHBondContact O-CG 3.43Å; E340-Q344 PolarHBondContact O-N 3.4Å; E340-Q344 PolarHBondContact O-NE2 3.34Å
341	V	87.8	Confident	80	Confident	1 Å²	1	44 Å²	44	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-48.6	175.2	174.9	0	0	0	0	110.7	I267 L283 M286 M336 T337 E338 G343 Q344 A345	I267-V341 HydrophobicContact CD1-CG1 4.06Å; L283-V341 HydrophobicContact CD1-CG1 3.66Å; M286-V341 HydrophobicContact CB-CG1 4.26Å; M286-V341 HydrophobicContact CB-CG2 4.29Å; M286-V341 HydrophobicContact CE-CG1 4.32Å; M336-V341 HydrophobicContact CB-CG2 4.08Å; T337-V341 WeakPolarHBondContact O-CG2 3.48Å; T337-V341 PolarHBondContact O-N 3.28Å; E338-V341 PolarHBondContact O-N 2.79Å; E338-V341 VanDerWaalsContact O-N 3.12Å; V341-G343 VanDerWaalsContact C-N 3.33Å; V341-G343 PolarHBondContact O-N 3.02Å; V341-Q344 PolarHBondContact O-N 3.17Å; V341-A345 WeakPolarHBondContact O-CB 3.33Å; V341-A345 PolarHBondContact O-N 2.76Å
342	V	86.8	Confident	82.4	Confident	8 Å²	8	38.8 Å²	38.8	5%	0.048	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-40.3	177.2	177.6	0	0	0	0	110.9	P123 I260 I263 E338 Q344 A345 F346	P123-V342 HydrophobicContact CB-CG1 3.93Å; I260-V342 HydrophobicContact CG1-CG1 3.95Å; I263-V342 HydrophobicContact CD1-CG1 4.25Å; I263-V342 HydrophobicContact CG2-CB 4.47Å; I263-V342 HydrophobicContact CG2-CG2 3.97Å; E338-V342 WeakPolarHBondContact O-CG2 3.19Å; E338-V342 PolarHBondContact O-N 3.31Å; V342-Q344 PolarHBondContact O-N 2.88Å; V342-A345 PolarHBondContact O-N 3.3Å; V342-F346 VanDerWaalsContact O-CB 3.32Å; V342-F346 WeakPolarHBondContact O-CB 3.41Å; V342-F346 PolarHBondContact O-N 3.48Å
343	G	89.9	Confident	84.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59	-42.8	174	0	0	0	0	0	113.3	P123 C127 D339 E340 V341 V347	P123-G343 WeakPolarHBondContact O-CA 3.46Å; C127-G343 WeakPolarHBondContact CB-O 3.37Å; D339-G343 PolarHBondContact O-N 3.47Å; E340-G343 PolarHBondContact O-N 3.29Å; V341-G343 VanDerWaalsContact C-N 3.33Å; V341-G343 PolarHBondContact O-N 3.02Å; G343-V347 PolarHBondContact O-N 3.17Å; G343-V347 VanDerWaalsContact O-N 3.11Å
344	Q	90.6	Very high	86.3	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-69.3	-46	178.5	-64.8	-15.1	-64.9	0	0	112.1	D126 L128 V139 L143 M286 M336 E340 V341 V342 F346 V347 F348	D126-Q344 PolarHBondContact O-NE2 3.4Å; L128-Q344 VanDerWaalsContact CB-OE1 3.26Å; V139-Q344 HydrophobicContact CG1-CG 4.18Å; L143-Q344 HydrophobicContact CD1-CG 3.84Å; L143-Q344 HydrophobicContact CD2-CG 4.28Å; M286-Q344 HydrophobicContact CE-CB 4.15Å; M286-Q344 HydrophobicContact SD-CB 3.28Å; M286-Q344 WeakPolarHBondContact SD-CB 3.23Å; M286-Q344 HydrophobicContact SD-CG 3.81Å; M336-Q344 HydrophobicContact SD-CG 4.34Å; E340-Q344 WeakPolarHBondContact O-CG 3.43Å; E340-Q344 PolarHBondContact O-N 3.4Å; E340-Q344 PolarHBondContact O-NE2 3.34Å; V341-Q344 PolarHBondContact O-N 3.17Å; V342-Q344 PolarHBondContact O-N 2.88Å; Q344-F346 VanDerWaalsContact C-N 3.32Å; Q344-F346 PolarHBondContact O-N 3.12Å; Q344-V347 WeakPolarHBondContact O-CG1 3.17Å; Q344-V347 PolarHBondContact O-N 2.93Å; Q344-F348 WeakPolarHBondContact O-CB 3.48Å; Q344-F348 WeakPolarHBondContact O-CG 3.32Å; Q344-F348 PolarHBondContact O-N 2.91Å
345	A	86.8	Confident	87.9	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-55.5	-49.8	175.3	0	0	0	0	0	110.9	F199 I263 M286 V341 V342 V347 F348 L349	F199-A345 HydrophobicContact CD1-CB 4.38Å; F199-A345 HydrophobicContact CE1-CB 3.4Å; F199-A345 HydrophobicContact CZ-CB 4.04Å; F199-A345 WeakPolarHBondContact CZ-O 3.23Å; I263-A345 HydrophobicContact CD1-CB 3.46Å; I263-A345 VanDerWaalsContact CD1-CB 3.46Å; I263-A345 HydrophobicContact CG1-CB 3.87Å; I263-A345 HydrophobicContact CG2-CB 3.98Å; M286-A345 HydrophobicContact CE-CB 4.34Å; V341-A345 WeakPolarHBondContact O-CB 3.33Å; V341-A345 PolarHBondContact O-N 2.76Å; V342-A345 PolarHBondContact O-N 3.3Å; A345-V347 PolarHBondContact O-N 3.49Å; A345-F348 PolarHBondContact O-N 3.15Å; A345-L349 PolarHBondContact O-N 2.99Å
346	F	86.3	Confident	88.8	Confident	4 Å²	4	19.7 Å²	19.7	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-57.4	-45.6	177.3	-178.2	-95.1	0	0	0	112.9	P123 M124 F220 M255 F259 V342 Q344 L350	P123-F346 HydrophobicContact CB-CB 4.31Å; P123-F346 HydrophobicContact CB-CG 4.49Å; P123-F346 HydrophobicContact CG-CB 3.81Å; P123-F346 HydrophobicContact CG-CD1 3.96Å; P123-F346 HydrophobicContact CG-CD2 3.69Å; P123-F346 HydrophobicContact CG-CE1 4.45Å; P123-F346 HydrophobicContact CG-CE2 4.2Å; P123-F346 HydrophobicContact CG-CG 3.54Å; M124-F346 HydrophobicContact CG-CD1 4.34Å; M124-F346 HydrophobicContact CG-CE1 3.73Å; M124-F346 HydrophobicContact CG-CZ 4.5Å; F220-F346 HydrophobicContact CD2-CE1 4.1Å; F220-F346 AromaticContact CD2-CZ 3.86Å; F220-F346 HydrophobicContact CD2-CZ 3.86Å; F220-F346 AromaticContact CE2-CE1 3.77Å; F220-F346 HydrophobicContact CE2-CE1 3.77Å; F220-F346 AromaticContact CE2-CZ 4Å; F220-F346 HydrophobicContact CE2-CZ 4Å; M255-F346 HydrophobicContact CE-CZ 4.02Å; F259-F346 HydrophobicContact CB-CD2 3.76Å; F259-F346 HydrophobicContact CB-CE2 4.22Å; F259-F346 AromaticContact CD2-CD2 3.92Å; F259-F346 HydrophobicContact CD2-CD2 3.92Å; F259-F346 AromaticContact CD2-CE2 3.63Å; F259-F346 HydrophobicContact CD2-CE2 3.63Å; F259-F346 HydrophobicContact CE2-CE2 4.4Å; F259-F346 HydrophobicContact CG-CD2 4.03Å; F259-F346 HydrophobicContact CG-CE2 4.22Å; V342-F346 VanDerWaalsContact O-CB 3.32Å; V342-F346 WeakPolarHBondContact O-CB 3.41Å; V342-F346 PolarHBondContact O-N 3.48Å; Q344-F346 VanDerWaalsContact C-N 3.32Å; Q344-F346 PolarHBondContact O-N 3.12Å; F346-L350 HydrophobicContact CD1-CD1 3.83Å; F346-L350 HydrophobicContact CE1-CD1 3.27Å; F346-L350 HydrophobicContact CE2-CD1 4.14Å; F346-L350 HydrophobicContact CG-CD1 4.45Å; F346-L350 HydrophobicContact CZ-CD1 3.46Å; F346-L350 VanDerWaalsContact CZ-CD1 3.46Å; F346-L350 WeakPolarHBondContact O-CG 3.2Å; F346-L350 PolarHBondContact O-N 2.86Å
347	V	88.4	Confident	89.4	Confident	14 Å²	14	19.6 Å²	19.6	9%	0.085	11%	0.114	C	C	.	.	H	α-helix	trans	-75.9	-33.7	-176	76.2	0	0	0	0	113.5	C127 L129 G343 Q344 A345 L350 A351	C127-V347 HydrophobicContact CB-CB 3.76Å; C127-V347 HydrophobicContact CB-CG1 3.79Å; C127-V347 HydrophobicContact CB-CG2 4.36Å; L129-V347 HydrophobicContact CD1-CG2 3.35Å; L129-V347 HydrophobicContact CG-CG2 3.71Å; G343-V347 PolarHBondContact O-N 3.17Å; G343-V347 VanDerWaalsContact O-N 3.11Å; Q344-V347 WeakPolarHBondContact O-CG1 3.17Å; Q344-V347 PolarHBondContact O-N 2.93Å; A345-V347 PolarHBondContact O-N 3.49Å; V347-L350 PolarHBondContact O-N 3.12Å; V347-A351 WeakPolarHBondContact O-CB 3.43Å; V347-A351 PolarHBondContact O-N 3.49Å
348	F	89.2	Confident	89.8	Confident	17 Å²	17	16.5 Å²	16.5	8%	0.075	10%	0.096	C	C	.	.	H	α-helix	trans	-66	-41.8	177.4	-77.9	-2.4	0	0	0	111.7	L143 F147 I194 F282 Q344 A345 L350 G352 V489	L143-F348 HydrophobicContact CB-CZ 4.45Å; L143-F348 HydrophobicContact CD1-CZ 3.93Å; L143-F348 HydrophobicContact CD2-CE2 4.3Å; L143-F348 HydrophobicContact CD2-CZ 4.29Å; L143-F348 HydrophobicContact CG-CZ 4.45Å; F147-F348 HydrophobicContact CE2-CE1 4.46Å; F147-F348 HydrophobicContact CE2-CE2 4.12Å; F147-F348 AromaticContact CE2-CZ 3.75Å; F147-F348 HydrophobicContact CE2-CZ 3.75Å; F147-F348 HydrophobicContact CZ-CE1 4.3Å; F147-F348 HydrophobicContact CZ-CE2 4.02Å; F147-F348 AromaticContact CZ-CZ 3.84Å; F147-F348 HydrophobicContact CZ-CZ 3.84Å; I194-F348 WeakPolarHBondContact CG1-O 3.44Å; F282-F348 HydrophobicContact CD1-CD2 4.24Å; F282-F348 AromaticContact CD1-CE2 3.8Å; F282-F348 HydrophobicContact CD1-CE2 3.8Å; F282-F348 HydrophobicContact CE1-CE2 4.23Å; F282-F348 HydrophobicContact CG-CD2 4.46Å; F282-F348 HydrophobicContact CG-CE2 4.44Å; Q344-F348 WeakPolarHBondContact O-CB 3.48Å; Q344-F348 WeakPolarHBondContact O-CG 3.32Å; Q344-F348 PolarHBondContact O-N 2.91Å; A345-F348 PolarHBondContact O-N 3.15Å; F348-L350 PolarHBondContact O-N 3.09Å; F348-G352 PolarHBondContact O-N 2.74Å; F348-V489 HydrophobicContact CE1-CG1 3.83Å; F348-V489 HydrophobicContact CZ-CG1 4.24Å
349	L	86.9	Confident	90.6	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-56.7	-52.8	174.8	-171.1	86.3	0	0	0	111.6	M191 I194 F199 F213 F259 A345 Y353	M191-L349 HydrophobicContact SD-CD1 3.81Å; M191-L349 HydrophobicContact SD-CG 4.21Å; I194-L349 HydrophobicContact CG2-CD1 3.8Å; I194-L349 HydrophobicContact CG2-CG 4.43Å; F199-L349 HydrophobicContact CD2-CD1 4.08Å; F199-L349 HydrophobicContact CE2-CB 3.92Å; F199-L349 HydrophobicContact CE2-CD1 3.57Å; F199-L349 HydrophobicContact CE2-CG 4.36Å; F199-L349 HydrophobicContact CZ-CB 4.23Å; F213-L349 HydrophobicContact CD1-CD1 4.16Å; F213-L349 HydrophobicContact CD1-CD2 4.13Å; F213-L349 HydrophobicContact CE1-CD1 4.49Å; F259-L349 HydrophobicContact CD1-CD2 3.58Å; F259-L349 HydrophobicContact CE1-CD2 2.97Å; F259-L349 HydrophobicContact CE1-CG 4.48Å; F259-L349 HydrophobicContact CE2-CD2 4.4Å; F259-L349 HydrophobicContact CZ-CD2 3.44Å; F259-L349 VanDerWaalsContact CZ-CD2 3.44Å; A345-L349 PolarHBondContact O-N 2.99Å; L349-Y353 VanDerWaalsContact O-CB 3.31Å; L349-Y353 WeakPolarHBondContact O-CB 3.46Å; L349-Y353 PolarHBondContact O-N 2.86Å; L349-Y353 VanDerWaalsContact O-N 3.08Å
350	L	85.8	Confident	91.1	Very high	5 Å²	5	9.5 Å²	9.5	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-67.4	-42.2	-176.7	-66	173.2	0	0	0	112.3	A217 F220 F221 F346 V347 F348 E354	A217-L350 HydrophobicContact CB-CD2 3.85Å; F220-L350 HydrophobicContact CB-CD1 4.16Å; F220-L350 HydrophobicContact CB-CD2 3.87Å; F220-L350 HydrophobicContact CD1-CD1 3.72Å; F220-L350 HydrophobicContact CD1-CD2 4.27Å; F220-L350 HydrophobicContact CD1-CG 4.43Å; F220-L350 HydrophobicContact CD2-CD1 3.47Å; F220-L350 VanDerWaalsContact CD2-CD1 3.47Å; F220-L350 HydrophobicContact CE1-CD1 3.88Å; F220-L350 HydrophobicContact CE2-CD1 3.62Å; F220-L350 HydrophobicContact CG-CD1 3.51Å; F220-L350 HydrophobicContact CG-CD2 4.06Å; F220-L350 HydrophobicContact CG-CG 4.38Å; F220-L350 HydrophobicContact CZ-CD1 3.83Å; F221-L350 HydrophobicContact CE2-CB 4.13Å; F221-L350 HydrophobicContact CE2-CD2 3.99Å; F221-L350 HydrophobicContact CZ-CB 3.94Å; F221-L350 VanDerWaalsContact CZ-O 3.29Å; F221-L350 WeakPolarHBondContact CZ-O 3.15Å; F346-L350 HydrophobicContact CD1-CD1 3.83Å; F346-L350 HydrophobicContact CE1-CD1 3.27Å; F346-L350 HydrophobicContact CE2-CD1 4.14Å; F346-L350 HydrophobicContact CG-CD1 4.45Å; F346-L350 HydrophobicContact CZ-CD1 3.46Å; F346-L350 VanDerWaalsContact CZ-CD1 3.46Å; F346-L350 WeakPolarHBondContact O-CG 3.2Å; F346-L350 PolarHBondContact O-N 2.86Å; V347-L350 PolarHBondContact O-N 3.12Å; F348-L350 PolarHBondContact O-N 3.09Å; L350-E354 PolarHBondContact O-N 3.37Å
351	A	88.9	Confident	91.5	Very high	44 Å²	44	9.4 Å²	9.4	36%	0.364	6%	0.061	S	C	.	.	H	α-helix	trans	-65.7	-43	179.9	0	0	0	0	0	111.9	V347 T355	V347-A351 WeakPolarHBondContact O-CB 3.43Å; V347-A351 PolarHBondContact O-N 3.49Å; A351-T355 PolarHBondContact O-OG1 2.9Å
352	G	87.9	Confident	92	Very high	14 Å²	14	9.4 Å²	9.4	14%	0.144	6%	0.061	C	C	.	.	H	α-helix	trans	-69.4	-31.7	179.1	0	0	0	0	0	113.4	F348	F348-G352 PolarHBondContact O-N 2.74Å
353	Y	91.2	Very high	92.6	Very high	17 Å²	17	9 Å²	9	7%	0.067	6%	0.058	C	C	.	.	H	α-helix	trans	-70.4	-65	179.7	171.6	-110.9	0	0	0	113.6	G187 T190 M191 V214 A217 Q218 F221 L349 S357	G187-Y353 VanDerWaalsContact O-CD2 3.29Å; G187-Y353 WeakPolarHBondContact O-CD2 3.43Å; G187-Y353 WeakPolarHBondContact O-CE2 3.44Å; T190-Y353 PolarHBondContact OG1-O 3.49Å; T190-Y353 VanDerWaalsContact OG1-O 3.06Å; M191-Y353 HydrophobicContact CB-CD2 3.83Å; M191-Y353 HydrophobicContact CB-CE2 4.16Å; M191-Y353 HydrophobicContact CE-CD1 4.3Å; M191-Y353 HydrophobicContact CE-CD2 3.58Å; M191-Y353 HydrophobicContact CE-CE2 4.04Å; M191-Y353 HydrophobicContact CE-CG 3.69Å; V214-Y353 HydrophobicContact CG1-CE2 4.5Å; A217-Y353 HydrophobicContact CB-CD1 3.85Å; A217-Y353 HydrophobicContact CB-CE1 4.05Å; A217-Y353 HydrophobicContact CB-CG 4.43Å; Q218-Y353 HydrophobicContact CG-CE1 4.21Å; Q218-Y353 PolarHBondContact NE2-OH 2.98Å; F221-Y353 HydrophobicContact CE2-CD1 4.29Å; L349-Y353 VanDerWaalsContact O-CB 3.31Å; L349-Y353 WeakPolarHBondContact O-CB 3.46Å; L349-Y353 PolarHBondContact O-N 2.86Å; L349-Y353 VanDerWaalsContact O-N 3.08Å; Y353-S357 WeakPolarHBondContact O-CB 3.26Å; Y353-S357 PolarHBondContact O-N 2.9Å; Y353-S357 PolarHBondContact O-OG 3.35Å
354	E	91.4	Very high	93	Very high	11 Å²	11	9 Å²	9	5%	0.051	6%	0.058	C	C	.	.	H	α-helix	trans	-78.1	-33.7	-166.9	-161.7	-176.6	-144.8	0	0	112.7	F221 L350 S357 N358 K524 T528	F221-E354 WeakPolarHBondContact CB-OE1 3.29Å; F221-E354 WeakPolarHBondContact CD1-OE2 3.3Å; F221-E354 HydrophobicContact CD2-CB 3.97Å; F221-E354 HydrophobicContact CD2-CG 4.32Å; F221-E354 HydrophobicContact CE1-CB 4.19Å; F221-E354 WeakPolarHBondContact CE1-OE2 3.41Å; F221-E354 HydrophobicContact CE2-CB 3.62Å; F221-E354 HydrophobicContact CE2-CG 4.45Å; F221-E354 HydrophobicContact CG-CB 4.4Å; F221-E354 HydrophobicContact CG-CG 4.41Å; F221-E354 WeakPolarHBondContact CG-OE2 3Å; F221-E354 HydrophobicContact CZ-CB 3.72Å; L350-E354 PolarHBondContact O-N 3.37Å; E354-S357 WeakPolarHBondContact CA-OG 3Å; E354-S357 PolarHBondContact O-OG 3.48Å; E354-S357 VanDerWaalsContact O-OG 3.07Å; E354-N358 WeakPolarHBondContact O-CB 3.33Å; E354-N358 PolarHBondContact O-N 3.46Å; E354-N358 VanDerWaalsContact O-N 3.13Å; E354-N358 PolarHBondContact O-ND2 3.03Å; E354-N358 PolarHBondContact O-OD1 3.36Å; E354-K524 IonicContact OE1-NZ 3.71Å; E354-K524 PolarHBondContact OE1-NZ 3.44Å; E354-T528 VanDerWaalsContact OE2-CG2 3.31Å; E354-T528 WeakPolarHBondContact OE2-CG2 3.49Å; E354-T528 PolarHBondContact OE2-OG1 2.69Å
355	T	95.7	Very high	93.4	Very high	48 Å²	48	9.2 Å²	9.2	29%	0.294	6%	0.059	S	C	.	.	H	α-helix	trans	-75	-43.3	-173.6	65.4	0	0	0	0	112.9	A351 T359 P415 T528	A351-T355 PolarHBondContact O-OG1 2.9Å; T355-T359 PolarHBondContact O-N 3.24Å; T355-T359 VanDerWaalsContact O-N 3.11Å; T355-T359 PolarHBondContact O-OG1 2.94Å; T355-P415 HydrophobicContact CG2-CB 4.19Å; T355-P415 WeakPolarHBondContact O-CG 3.29Å; T355-T528 HydrophobicContact CG2-CG2 4.25Å
356	S	97.6	Very high	94	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.014	6%	0.059	C	C	.	.	H	α-helix	trans	-69	-40.3	177.5	-63.1	0	0	0	0	111.6	N358 T359 L360 E497	S356-N358 PolarHBondContact O-N 3.26Å; S356-T359 PolarHBondContact O-N 3.11Å; S356-L360 WeakPolarHBondContact O-CG 3.36Å; S356-L360 PolarHBondContact O-N 2.96Å; S356-E497 WeakPolarHBondContact CB-OE1 3.48Å; S356-E497 PolarHBondContact OG-OE1 3.33Å
357	S	97.1	Very high	94.6	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.014	6%	0.059	C	C	.	.	H	α-helix	trans	-64.6	-40.9	177.6	54.4	0	0	0	0	112.3	H183 Y353 E354 T359 L360 G361	H183-S357 PolarHBondContact CD2-O 3.34Å; Y353-S357 WeakPolarHBondContact O-CB 3.26Å; Y353-S357 PolarHBondContact O-N 2.9Å; Y353-S357 PolarHBondContact O-OG 3.35Å; E354-S357 WeakPolarHBondContact CA-OG 3Å; E354-S357 PolarHBondContact O-OG 3.48Å; E354-S357 VanDerWaalsContact O-OG 3.07Å; S357-T359 VanDerWaalsContact C-N 3.35Å; S357-T359 PolarHBondContact O-N 3.43Å; S357-L360 PolarHBondContact O-N 3.47Å; S357-G361 PolarHBondContact O-N 3.16Å
358	N	97.9	Very high	95.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.4	-44.4	172.2	-69.4	-10.5	0	0	0	111.3	H183 E354 S356 G361 F362 P415 L529	H183-N358 PolarHBondContact CE1-OD1 3.46Å; H183-N358 PolarHBondContact NE2-OD1 2.92Å; E354-N358 WeakPolarHBondContact O-CB 3.33Å; E354-N358 PolarHBondContact O-N 3.46Å; E354-N358 VanDerWaalsContact O-N 3.13Å; E354-N358 PolarHBondContact O-ND2 3.03Å; E354-N358 PolarHBondContact O-OD1 3.36Å; S356-N358 PolarHBondContact O-N 3.26Å; N358-G361 PolarHBondContact O-N 3.35Å; N358-F362 HydrophobicContact CB-CD2 4.24Å; N358-F362 HydrophobicContact CB-CE2 3.98Å; N358-F362 WeakPolarHBondContact O-CB 3.5Å; N358-F362 WeakPolarHBondContact O-CD2 3.33Å; N358-F362 VanDerWaalsContact O-CG 3.28Å; N358-F362 WeakPolarHBondContact O-CG 3.34Å; N358-F362 PolarHBondContact O-N 2.72Å; N358-P415 HydrophobicContact CB-CG 4.19Å; N358-L529 PolarHBondContact ND2-O 3.22Å
359	T	98.8	Very high	95.5	Very high	7 Å²	7	10.5 Å²	10.5	4%	0.043	7%	0.066	C	C	.	.	H	α-helix	trans	-64.8	-44	-179.5	-52.5	0	0	0	0	112	T355 S356 S357 T363 V406 L410 P415 I498	T355-T359 PolarHBondContact O-N 3.24Å; T355-T359 VanDerWaalsContact O-N 3.11Å; T355-T359 PolarHBondContact O-OG1 2.94Å; S356-T359 PolarHBondContact O-N 3.11Å; S357-T359 VanDerWaalsContact C-N 3.35Å; S357-T359 PolarHBondContact O-N 3.43Å; T359-T363 WeakPolarHBondContact O-CB 3.45Å; T359-T363 PolarHBondContact O-N 2.85Å; T359-T363 PolarHBondContact O-OG1 3.12Å; T359-V406 HydrophobicContact CG2-CG1 4.49Å; T359-L410 HydrophobicContact CG2-CD2 3.69Å; T359-L410 HydrophobicContact CG2-CG 3.9Å; T359-P415 WeakPolarHBondContact OG1-CG 3.27Å; T359-I498 HydrophobicContact CG2-CD1 3.78Å
360	L	98.8	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.9	-49.1	174	-76.6	165.8	0	0	0	111.4	F186 F189 T190 S356 S357 T363 C364 I498 A501 L502	F186-L360 HydrophobicContact CB-CB 3.98Å; F186-L360 HydrophobicContact CB-CD1 4.04Å; F186-L360 HydrophobicContact CD1-CB 3.88Å; F186-L360 HydrophobicContact CD1-CD1 3.86Å; F186-L360 HydrophobicContact CD1-CG 4.33Å; F186-L360 HydrophobicContact CD2-CB 3.58Å; F186-L360 HydrophobicContact CE1-CB 4.24Å; F186-L360 HydrophobicContact CE2-CB 3.95Å; F186-L360 HydrophobicContact CG-CB 3.55Å; F186-L360 HydrophobicContact CG-CD1 4.05Å; F186-L360 HydrophobicContact CG-CG 4.38Å; F186-L360 HydrophobicContact CZ-CB 4.27Å; F189-L360 HydrophobicContact CD1-CD1 3.8Å; F189-L360 HydrophobicContact CE1-CD1 3.92Å; T190-L360 HydrophobicContact CG2-CD1 4.03Å; S356-L360 WeakPolarHBondContact O-CG 3.36Å; S356-L360 PolarHBondContact O-N 2.96Å; S357-L360 PolarHBondContact O-N 3.47Å; L360-T363 PolarHBondContact O-N 3.16Å; L360-C364 WeakPolarHBondContact O-CB 3.39Å; L360-C364 PolarHBondContact O-N 3.21Å; L360-C364 PolarHBondContact O-SG 3.02Å; L360-I498 HydrophobicContact CD2-CB 4.37Å; L360-I498 HydrophobicContact CD2-CG1 4.45Å; L360-I498 HydrophobicContact CD2-CG2 4.04Å; L360-I498 HydrophobicContact CG-CG1 4.19Å; L360-I498 HydrophobicContact CG-CG2 4.49Å; L360-A501 HydrophobicContact CD2-CB 3.97Å; L360-L502 HydrophobicContact CD2-CD1 4.32Å; L360-L502 HydrophobicContact CD2-CD2 3.85Å; L360-L502 HydrophobicContact CD2-CG 3.73Å
361	G	98.5	Very high	96.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.3	-49.6	178.6	0	0	0	0	0	112.6	S357 N358 T363 C364 Y365 I535	S357-G361 PolarHBondContact O-N 3.16Å; N358-G361 PolarHBondContact O-N 3.35Å; G361-T363 PolarHBondContact O-N 3.06Å; G361-C364 PolarHBondContact O-N 3.3Å; G361-Y365 WeakPolarHBondContact O-CB 3.32Å; G361-Y365 PolarHBondContact O-N 2.77Å; G361-I535 WeakPolarHBondContact O-CD1 3.03Å
362	F	98.8	Very high	97.1	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-64.5	-38.6	178.3	-69.2	-46.6	0	0	0	112.7	N358 Y365 L366 Y413 L521 L523 G530 I535	N358-F362 HydrophobicContact CB-CD2 4.24Å; N358-F362 HydrophobicContact CB-CE2 3.98Å; N358-F362 WeakPolarHBondContact O-CB 3.5Å; N358-F362 WeakPolarHBondContact O-CD2 3.33Å; N358-F362 VanDerWaalsContact O-CG 3.28Å; N358-F362 WeakPolarHBondContact O-CG 3.34Å; N358-F362 PolarHBondContact O-N 2.72Å; F362-Y365 PolarHBondContact O-N 2.72Å; F362-L366 WeakPolarHBondContact O-CB 3.14Å; F362-L366 VanDerWaalsContact O-CG 3.28Å; F362-L366 WeakPolarHBondContact O-CG 3.39Å; F362-L366 PolarHBondContact O-N 3.45Å; F362-Y413 HydrophobicContact CB-CD2 3.91Å; F362-Y413 HydrophobicContact CB-CG 4.29Å; F362-Y413 HydrophobicContact CD1-CD1 4.41Å; F362-Y413 AromaticContact CD1-CD2 3.9Å; F362-Y413 HydrophobicContact CD1-CD2 3.9Å; F362-Y413 HydrophobicContact CD1-CE2 4.5Å; F362-Y413 AromaticContact CD1-CG 3.83Å; F362-Y413 HydrophobicContact CD1-CG 3.83Å; F362-Y413 HydrophobicContact CD2-CG 4.16Å; F362-Y413 HydrophobicContact CE1-CD1 4.3Å; F362-Y413 HydrophobicContact CE1-CG 4.11Å; F362-Y413 HydrophobicContact CE2-CG 4.41Å; F362-Y413 AromaticContact CG-CD2 3.92Å; F362-Y413 HydrophobicContact CG-CD2 3.92Å; F362-Y413 AromaticContact CG-CG 3.86Å; F362-Y413 HydrophobicContact CG-CG 3.86Å; F362-Y413 HydrophobicContact CZ-CG 4.37Å; F362-L521 HydrophobicContact CD1-CD2 3.85Å; F362-L521 HydrophobicContact CE1-CD2 3.63Å; F362-L523 HydrophobicContact CE1-CD2 3.69Å; F362-L523 HydrophobicContact CZ-CD2 3.89Å; F362-G530 VanDerWaalsContact CZ-CA 3.48Å; F362-I535 HydrophobicContact CD1-CD1 4.24Å
363	T	98.9	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-45.6	176.3	-54.8	0	0	0	0	110.7	T359 L360 G361 L366 L367 V405 V406 A409 L502	T359-T363 WeakPolarHBondContact O-CB 3.45Å; T359-T363 PolarHBondContact O-N 2.85Å; T359-T363 PolarHBondContact O-OG1 3.12Å; L360-T363 PolarHBondContact O-N 3.16Å; G361-T363 PolarHBondContact O-N 3.06Å; T363-L366 PolarHBondContact O-N 3.08Å; T363-L367 HydrophobicContact CG2-CD1 4.1Å; T363-L367 WeakPolarHBondContact O-CG 3.36Å; T363-L367 PolarHBondContact O-N 3.42Å; T363-V405 HydrophobicContact CG2-CG1 3.7Å; T363-V406 HydrophobicContact CG2-CG2 4.37Å; T363-A409 WeakPolarHBondContact OG1-CB 3.36Å; T363-L502 HydrophobicContact CG2-CD1 3.8Å; T363-L502 HydrophobicContact CG2-CD2 4.24Å
364	C	98.8	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-42.2	176.9	-68	0	0	0	0	112.4	I182 F186 L360 G361 L367 A368 I511	I182-C364 HydrophobicContact CD1-CB 4.36Å; F186-C364 HydrophobicContact CE2-CB 4.17Å; F186-C364 HydrophobicContact CZ-CB 4.46Å; F186-C364 WeakPolarHBondContact CZ-SG 3.46Å; L360-C364 WeakPolarHBondContact O-CB 3.39Å; L360-C364 PolarHBondContact O-N 3.21Å; L360-C364 PolarHBondContact O-SG 3.02Å; G361-C364 PolarHBondContact O-N 3.3Å; C364-L367 PolarHBondContact O-N 2.81Å; C364-A368 WeakPolarHBondContact O-CB 3.38Å; C364-A368 PolarHBondContact O-N 3.46Å; C364-I511 HydrophobicContact CB-CD1 3.56Å
365	Y	98.8	Very high	98.3	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-57.3	-49.6	173.7	170.4	-105.4	0	0	0	111.9	G361 F362 L367 A368 I369 Y413 T517 K518 V519 L521 I535	G361-Y365 WeakPolarHBondContact O-CB 3.32Å; G361-Y365 PolarHBondContact O-N 2.77Å; F362-Y365 PolarHBondContact O-N 2.72Å; Y365-L367 VanDerWaalsContact C-N 3.34Å; Y365-L367 PolarHBondContact O-N 2.68Å; Y365-A368 PolarHBondContact O-N 3.41Å; Y365-I369 HydrophobicContact CD1-CD1 4.45Å; Y365-I369 HydrophobicContact CE1-CD1 3.85Å; Y365-I369 HydrophobicContact CE2-CG2 4.14Å; Y365-I369 WeakPolarHBondContact O-CG1 3.35Å; Y365-I369 PolarHBondContact O-N 3.44Å; Y365-I369 VanDerWaalsContact O-N 3.11Å; Y365-Y413 HydrophobicContact CD1-CE2 4.31Å; Y365-Y413 HydrophobicContact CE1-CE2 4.41Å; Y365-T517 HydrophobicContact CD2-CG2 4.37Å; Y365-T517 HydrophobicContact CE2-CG2 4.16Å; Y365-K518 VanDerWaalsContact CE2-O 3.26Å; Y365-K518 WeakPolarHBondContact CE2-O 3.29Å; Y365-K518 PolarHBondContact OH-O 3.4Å; Y365-V519 HydrophobicContact CE2-CG2 4.38Å; Y365-L521 HydrophobicContact CD1-CD2 4.27Å; Y365-L521 HydrophobicContact CE1-CB 3.98Å; Y365-L521 HydrophobicContact CE1-CD2 4.43Å; Y365-L521 HydrophobicContact CE2-CB 4.21Å; Y365-L521 HydrophobicContact CG-CD2 4.35Å; Y365-L521 PolarHBondContact OH-N 2.95Å; Y365-L521 VanDerWaalsContact OH-N 3.16Å; Y365-I535 HydrophobicContact CD2-CG2 4.32Å
366	L	98.8	Very high	98.4	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-39.1	-179.7	-76	166.7	0	0	0	112.1	F362 T363 I369 N370 A409 L412 Y413 F460	F362-L366 WeakPolarHBondContact O-CB 3.14Å; F362-L366 VanDerWaalsContact O-CG 3.28Å; F362-L366 WeakPolarHBondContact O-CG 3.39Å; F362-L366 PolarHBondContact O-N 3.45Å; T363-L366 PolarHBondContact O-N 3.08Å; L366-I369 HydrophobicContact CD2-CD1 4.33Å; L366-I369 WeakPolarHBondContact O-CG1 3.5Å; L366-N370 VanDerWaalsContact O-CB 3.32Å; L366-N370 WeakPolarHBondContact O-CB 3.36Å; L366-N370 PolarHBondContact O-N 2.82Å; L366-N370 PolarHBondContact O-ND2 2.9Å; L366-A409 HydrophobicContact CD1-CB 3.69Å; L366-L412 HydrophobicContact CD1-CD1 4.14Å; L366-L412 HydrophobicContact CD2-CD1 3.77Å; L366-Y413 HydrophobicContact CD1-CD2 3.88Å; L366-Y413 HydrophobicContact CD1-CE2 3.94Å; L366-Y413 HydrophobicContact CD2-CE2 3.87Å; L366-Y413 HydrophobicContact CG-CD2 4.34Å; L366-Y413 HydrophobicContact CG-CE2 3.95Å; L366-F460 HydrophobicContact CB-CD2 4.13Å; L366-F460 HydrophobicContact CB-CE1 4.4Å; L366-F460 HydrophobicContact CB-CE2 4.03Å; L366-F460 HydrophobicContact CB-CG 4.39Å; L366-F460 HydrophobicContact CB-CZ 4.17Å; L366-F460 HydrophobicContact CD1-CD2 3.75Å; L366-F460 HydrophobicContact CD1-CE2 3.74Å; L366-F460 HydrophobicContact CD2-CB 4.16Å; L366-F460 HydrophobicContact CD2-CD2 3.9Å; L366-F460 HydrophobicContact CD2-CG 4.07Å; L366-F460 HydrophobicContact CG-CD2 4.15Å; L366-F460 HydrophobicContact CG-CE2 4.33Å
367	L	98.8	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72.7	-31.4	176	-69.2	173.9	0	0	0	113	T363 C364 Y365 N370 C373 Q374 V377 V405 F460 F506	T363-L367 HydrophobicContact CG2-CD1 4.1Å; T363-L367 WeakPolarHBondContact O-CG 3.36Å; T363-L367 PolarHBondContact O-N 3.42Å; C364-L367 PolarHBondContact O-N 2.81Å; Y365-L367 VanDerWaalsContact C-N 3.34Å; Y365-L367 PolarHBondContact O-N 2.68Å; L367-N370 CarbonylContact O-C 3.57Å; L367-N370 VanDerWaalsContact O-C 3.3Å; L367-N370 PolarHBondContact O-N 2.92Å; L367-C373 HydrophobicContact CD2-CB 3.82Å; L367-Q374 HydrophobicContact CB-CB 4.22Å; L367-Q374 HydrophobicContact CB-CG 4.3Å; L367-Q374 HydrophobicContact CD2-CB 4.46Å; L367-Q374 PolarHBondContact O-NE2 3.29Å; L367-V377 HydrophobicContact CD2-CG2 4.31Å; L367-V405 HydrophobicContact CD1-CG1 3.97Å; L367-V405 HydrophobicContact CD2-CG1 3.9Å; L367-V405 HydrophobicContact CD2-CG2 4.26Å; L367-V405 HydrophobicContact CG-CG1 4.09Å; L367-F460 HydrophobicContact CD2-CE1 4.4Å; L367-F506 HydrophobicContact CB-CE1 4.43Å; L367-F506 HydrophobicContact CB-CZ 4.02Å; L367-F506 HydrophobicContact CD1-CD2 4.15Å; L367-F506 HydrophobicContact CD1-CE1 4.05Å; L367-F506 HydrophobicContact CD1-CE2 3.29Å; L367-F506 HydrophobicContact CD1-CZ 3.24Å; L367-F506 HydrophobicContact CG-CZ 4.28Å
368	A	98.5	Very high	98.6	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.041	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-41	174.5	0	0	0	0	0	111.6	C364 Y365 I511 T513	C364-A368 WeakPolarHBondContact O-CB 3.38Å; C364-A368 PolarHBondContact O-N 3.46Å; Y365-A368 PolarHBondContact O-N 3.41Å; A368-I511 HydrophobicContact CB-CB 4.46Å; A368-I511 HydrophobicContact CB-CG2 3.84Å; A368-T513 HydrophobicContact CB-CG2 4.29Å
369	I	98.3	Very high	98.6	Very high	54 Å²	54	31.2 Å²	31.2	28%	0.277	15%	0.153	S	C	.	.	H	α-helix	trans	-84.3	-7	177.3	69.9	175.1	0	0	0	113.5	Y365 L366 T513 V519	Y365-I369 HydrophobicContact CD1-CD1 4.45Å; Y365-I369 HydrophobicContact CE1-CD1 3.85Å; Y365-I369 HydrophobicContact CE2-CG2 4.14Å; Y365-I369 WeakPolarHBondContact O-CG1 3.35Å; Y365-I369 PolarHBondContact O-N 3.44Å; Y365-I369 VanDerWaalsContact O-N 3.11Å; L366-I369 HydrophobicContact CD2-CD1 4.33Å; L366-I369 WeakPolarHBondContact O-CG1 3.5Å; I369-T513 HydrophobicContact CB-CG2 4.49Å; I369-T513 HydrophobicContact CG2-CG2 3.62Å; I369-V519 HydrophobicContact CG2-CG2 3.87Å
370	N	98.5	Very high	98.6	Very high	48 Å²	48	32.8 Å²	32.8	26%	0.257	16%	0.159	S	C	.	.			trans	-126.8	74.2	174.6	-64.2	-82.1	0	0	0	111.3	L366 L367 D372 C373 Q374 F460	L366-N370 VanDerWaalsContact O-CB 3.32Å; L366-N370 WeakPolarHBondContact O-CB 3.36Å; L366-N370 PolarHBondContact O-N 2.82Å; L366-N370 PolarHBondContact O-ND2 2.9Å; L367-N370 CarbonylContact O-C 3.57Å; L367-N370 VanDerWaalsContact O-C 3.3Å; L367-N370 PolarHBondContact O-N 2.92Å; N370-D372 VanDerWaalsContact C-N 3.25Å; N370-D372 PolarHBondContact O-N 2.91Å; N370-D372 VanDerWaalsContact O-N 3.15Å; N370-C373 HydrophobicContact CB-CB 4.14Å; N370-C373 WeakPolarHBondContact O-CB 3.3Å; N370-C373 PolarHBondContact O-N 3.44Å; N370-Q374 PolarHBondContact O-N 2.95Å; N370-F460 HydrophobicContact CB-CD1 4.17Å; N370-F460 WeakPolarHBondContact ND2-CD1 3.5Å
371	P	97.9	Very high	98.6	Very high	62 Å²	62	32.8 Å²	32.8	40%	0.403	16%	0.159	S	C	.	.	H	α-helix	trans	-58.5	-30.5	-174.4	-26	35.5	0	0	0	114.8	Q374 R375	P371-Q374 WeakPolarHBondContact O-CB 3.3Å; P371-Q374 PolarHBondContact O-N 3.33Å; P371-R375 PolarHBondContact O-N 3.4Å
372	D	98.3	Very high	98.5	Very high	107 Å²	107	35 Å²	35	57%	0.572	17%	0.171	S	C	*	.	H	α-helix	trans	-62.3	-42	174.8	-68.3	-55	0	0	0	112.4	N370 Q374 R375 R376	N370-D372 VanDerWaalsContact C-N 3.25Å; N370-D372 PolarHBondContact O-N 2.91Å; N370-D372 VanDerWaalsContact O-N 3.15Å; D372-Q374 VanDerWaalsContact C-N 3.34Å; D372-R375 IonicContact OD1-CZ 2.87Å; D372-R375 IonicContact OD1-NE 3.95Å; D372-R375 IonicContact OD1-NH2 3.28Å; D372-R375 PolarHBondContact OD1-NH2 3.09Å; D372-R376 WeakPolarHBondContact O-CG 3.48Å; D372-R376 PolarHBondContact O-N 3.37Å
373	C	98.7	Very high	98.5	Very high	14 Å²	14	41.2 Å²	41.2	10%	0.095	20%	0.198	C	C	.	.	H	α-helix	trans	-67.3	-39.1	175.6	-69.4	0	0	0	0	110.8	L367 N370 R376 V377 F460	L367-C373 HydrophobicContact CD2-CB 3.82Å; N370-C373 HydrophobicContact CB-CB 4.14Å; N370-C373 WeakPolarHBondContact O-CB 3.3Å; N370-C373 PolarHBondContact O-N 3.44Å; C373-R376 PolarHBondContact O-N 3.37Å; C373-V377 WeakPolarHBondContact O-CG2 3.41Å; C373-V377 PolarHBondContact O-N 2.92Å; C373-F460 HydrophobicContact CB-CE1 4.08Å
374	Q	98.7	Very high	98.4	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-47.4	176.7	-165.5	179.7	155.3	0	0	111.7	L367 N370 P371 D372 R376 V377 Q378 F506 I511	L367-Q374 HydrophobicContact CB-CB 4.22Å; L367-Q374 HydrophobicContact CB-CG 4.3Å; L367-Q374 HydrophobicContact CD2-CB 4.46Å; L367-Q374 PolarHBondContact O-NE2 3.29Å; N370-Q374 PolarHBondContact O-N 2.95Å; P371-Q374 WeakPolarHBondContact O-CB 3.3Å; P371-Q374 PolarHBondContact O-N 3.33Å; D372-Q374 VanDerWaalsContact C-N 3.34Å; Q374-R376 VanDerWaalsContact C-N 3.34Å; Q374-R376 PolarHBondContact O-N 3.14Å; Q374-V377 PolarHBondContact O-N 2.95Å; Q374-Q378 WeakPolarHBondContact O-CB 3.38Å; Q374-Q378 VanDerWaalsContact O-CG 3.27Å; Q374-Q378 WeakPolarHBondContact O-CG 3.37Å; Q374-Q378 PolarHBondContact O-N 3.35Å; Q374-F506 HydrophobicContact CG-CD1 3.9Å; Q374-F506 HydrophobicContact CG-CE1 3.66Å; Q374-I511 PolarHBondContact NE2-O 3.19Å; Q374-I511 PolarHBondContact OE1-O 3.11Å
375	R	98.6	Very high	98.3	Very high	127 Å²	127	42.9 Å²	42.9	48%	0.479	21%	0.206	S	C	.	.	H	α-helix	trans	-57.1	-45.1	175.7	-77	-172.1	-74	-94.5	7	112.3	P371 D372 V377 Q378 D379	P371-R375 PolarHBondContact O-N 3.4Å; D372-R375 IonicContact OD1-CZ 2.87Å; D372-R375 IonicContact OD1-NE 3.95Å; D372-R375 IonicContact OD1-NH2 3.28Å; D372-R375 PolarHBondContact OD1-NH2 3.09Å; R375-V377 PolarHBondContact O-N 3.45Å; R375-Q378 WeakPolarHBondContact O-CB 3.35Å; R375-Q378 PolarHBondContact O-N 2.91Å; R375-D379 VanDerWaalsContact O-CG 3.27Å; R375-D379 PolarHBondContact O-N 3.01Å
376	R	98.6	Very high	98.2	Very high	115 Å²	115	48.2 Å²	48.2	43%	0.434	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-38.4	178.7	-72.6	173.9	64.3	-169.3	-1.2	113.2	D372 C373 Q374 E380 Y401 E463	D372-R376 WeakPolarHBondContact O-CG 3.48Å; D372-R376 PolarHBondContact O-N 3.37Å; C373-R376 PolarHBondContact O-N 3.37Å; Q374-R376 VanDerWaalsContact C-N 3.34Å; Q374-R376 PolarHBondContact O-N 3.14Å; R376-E380 PolarHBondContact O-N 3.48Å; R376-E380 VanDerWaalsContact O-N 3.13Å; R376-Y401 HydrophobicContact CB-CD1 3.8Å; R376-Y401 HydrophobicContact CB-CE1 3.4Å; R376-Y401 VanDerWaalsContact CZ-CZ 3.42Å; R376-Y401 PolarHBondContact NH1-OH 3.28Å; R376-E463 IonicContact CZ-OE1 3.57Å; R376-E463 IonicContact NH1-OE1 2.67Å; R376-E463 PolarHBondContact NH1-OE1 3.01Å; R376-E463 IonicContact NH2-OE1 3.69Å; R376-E463 PolarHBondContact NH2-OE1 3.41Å
377	V	98.6	Very high	98.1	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-45.2	172.4	166.3	0	0	0	0	110.3	L367 C373 Q374 R375 E380 I381 Y401 L402 V405 F506	L367-V377 HydrophobicContact CD2-CG2 4.31Å; C373-V377 WeakPolarHBondContact O-CG2 3.41Å; C373-V377 PolarHBondContact O-N 2.92Å; Q374-V377 PolarHBondContact O-N 2.95Å; R375-V377 PolarHBondContact O-N 3.45Å; V377-E380 PolarHBondContact O-N 3.31Å; V377-I381 HydrophobicContact CG1-CD1 3.47Å; V377-I381 VanDerWaalsContact CG1-CD1 3.47Å; V377-I381 HydrophobicContact CG1-CG1 4.37Å; V377-I381 WeakPolarHBondContact O-CB 3.46Å; V377-I381 WeakPolarHBondContact O-CD1 3.41Å; V377-I381 VanDerWaalsContact O-CG1 3.24Å; V377-I381 WeakPolarHBondContact O-CG1 3.48Å; V377-I381 PolarHBondContact O-N 2.8Å; V377-Y401 HydrophobicContact CG2-CD1 3.63Å; V377-Y401 HydrophobicContact CG2-CE1 3.86Å; V377-L402 HydrophobicContact CG1-CD1 3.97Å; V377-V405 HydrophobicContact CG2-CB 4.3Å; V377-V405 HydrophobicContact CG2-CG1 4.44Å; V377-V405 HydrophobicContact CG2-CG2 3.72Å; V377-F506 HydrophobicContact CG1-CB 4.24Å; V377-F506 HydrophobicContact CG1-CD2 4.17Å; V377-F506 HydrophobicContact CG1-CG 4.25Å
378	Q	98.7	Very high	98	Very high	13 Å²	13	57 Å²	57	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-44.5	177.9	-72.8	172.7	-23.9	0	0	112.1	Q374 R375 E380 I381 D382 F506 F509 N510	Q374-Q378 WeakPolarHBondContact O-CB 3.38Å; Q374-Q378 VanDerWaalsContact O-CG 3.27Å; Q374-Q378 WeakPolarHBondContact O-CG 3.37Å; Q374-Q378 PolarHBondContact O-N 3.35Å; R375-Q378 WeakPolarHBondContact O-CB 3.35Å; R375-Q378 PolarHBondContact O-N 2.91Å; Q378-E380 VanDerWaalsContact C-N 3.34Å; Q378-E380 PolarHBondContact O-N 2.93Å; Q378-I381 PolarHBondContact O-N 3.27Å; Q378-D382 WeakPolarHBondContact O-CB 3.15Å; Q378-D382 PolarHBondContact O-N 2.87Å; Q378-F506 HydrophobicContact CG-CB 4.1Å; Q378-F506 HydrophobicContact CG-CD1 4.38Å; Q378-F509 PolarHBondContact NE2-O 3.33Å; Q378-N510 PolarHBondContact NE2-OD1 2.88Å
379	D	98.4	Very high	97.7	Very high	86 Å²	86	64.8 Å²	64.8	46%	0.46	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-40.1	177.2	-69.7	-20.7	0	0	0	112.4	R375 K383	R375-D379 VanDerWaalsContact O-CG 3.27Å; R375-D379 PolarHBondContact O-N 3.01Å; D379-K383 VanDerWaalsContact O-CG 3.32Å; D379-K383 WeakPolarHBondContact O-CG 3.2Å; D379-K383 PolarHBondContact O-N 3.37Å
380	E	98.6	Very high	97.5	Very high	40 Å²	40	64.4 Å²	64.4	19%	0.187	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-46.3	174.6	-179	178.7	-115.2	0	0	111.2	R376 V377 Q378 K383 F384 L399 K400 Y401 L402	R376-E380 PolarHBondContact O-N 3.48Å; R376-E380 VanDerWaalsContact O-N 3.13Å; V377-E380 PolarHBondContact O-N 3.31Å; Q378-E380 VanDerWaalsContact C-N 3.34Å; Q378-E380 PolarHBondContact O-N 2.93Å; E380-K383 PolarHBondContact O-N 3.49Å; E380-F384 WeakPolarHBondContact O-CB 3.39Å; E380-F384 PolarHBondContact O-N 3.44Å; E380-L399 HydrophobicContact CG-CD2 3.98Å; E380-L399 VanDerWaalsContact OE2-C 3.31Å; E380-L399 WeakPolarHBondContact OE2-CA 3.18Å; E380-K400 PolarHBondContact OE1-N 3.24Å; E380-Y401 VanDerWaalsContact CD-N 3.31Å; E380-Y401 WeakPolarHBondContact OE1-CB 3.24Å; E380-Y401 PolarHBondContact OE1-N 3.39Å; E380-Y401 WeakPolarHBondContact OE2-CA 3.24Å; E380-Y401 WeakPolarHBondContact OE2-CB 3.36Å; E380-Y401 PolarHBondContact OE2-N 3.35Å; E380-L402 PolarHBondContact OE2-N 2.99Å
381	I	98.4	Very high	97.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-42.1	179.9	-74.6	168	0	0	0	111.3	V377 Q378 K383 F384 F385 L399 F506 H507	V377-I381 HydrophobicContact CG1-CD1 3.47Å; V377-I381 VanDerWaalsContact CG1-CD1 3.47Å; V377-I381 HydrophobicContact CG1-CG1 4.37Å; V377-I381 WeakPolarHBondContact O-CB 3.46Å; V377-I381 WeakPolarHBondContact O-CD1 3.41Å; V377-I381 VanDerWaalsContact O-CG1 3.24Å; V377-I381 WeakPolarHBondContact O-CG1 3.48Å; V377-I381 PolarHBondContact O-N 2.8Å; Q378-I381 PolarHBondContact O-N 3.27Å; I381-K383 VanDerWaalsContact C-N 3.35Å; I381-K383 PolarHBondContact O-N 3.04Å; I381-F384 WeakPolarHBondContact O-CA 3.16Å; I381-F384 VanDerWaalsContact O-CB 3.31Å; I381-F384 WeakPolarHBondContact O-CB 3.32Å; I381-F384 PolarHBondContact O-N 3.3Å; I381-F384 VanDerWaalsContact O-N 3.1Å; I381-F385 HydrophobicContact CG2-CD2 3.56Å; I381-F385 HydrophobicContact CG2-CE2 3.63Å; I381-F385 VanDerWaalsContact O-CD2 3.31Å; I381-F385 WeakPolarHBondContact O-CD2 3.28Å; I381-F385 PolarHBondContact O-N 3.35Å; I381-L399 HydrophobicContact CG1-CD2 4.07Å; I381-F506 HydrophobicContact CD1-CB 3.65Å; I381-H507 HydrophobicContact CG2-CB 3.7Å
382	D	97.6	Very high	97.2	Very high	46 Å²	46	61.7 Å²	61.7	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-44.7	179.2	-70	-17.1	0	0	0	110.7	Q378 F384 F385 T386 H507 R542	Q378-D382 WeakPolarHBondContact O-CB 3.15Å; Q378-D382 PolarHBondContact O-N 2.87Å; D382-F384 VanDerWaalsContact C-N 3.27Å; D382-F384 PolarHBondContact O-N 2.95Å; D382-F385 PolarHBondContact O-N 3.27Å; D382-T386 WeakPolarHBondContact O-CG2 3.37Å; D382-T386 PolarHBondContact O-N 3.01Å; D382-T386 VanDerWaalsContact O-N 3.12Å; D382-H507 IonicContact OD1-CE1 3.05Å; D382-H507 IonicContact OD1-ND1 2.74Å; D382-H507 PolarHBondContact OD1-ND1 2.84Å; D382-R542 IonicContact OD1-CZ 3.62Å; D382-R542 IonicContact OD1-NH1 3.73Å; D382-R542 PolarHBondContact OD1-NH1 3.38Å; D382-R542 IonicContact OD1-NH2 3.92Å; D382-R542 IonicContact OD2-CZ 3.79Å; D382-R542 IonicContact OD2-NH1 2.87Å; D382-R542 PolarHBondContact OD2-NH1 3.34Å; D382-R542 IonicContact OD2-NH2 2.61Å; D382-R542 PolarHBondContact OD2-NH2 3.28Å
383	K	97.8	Very high	97	Very high	132 Å²	132	58.4 Å²	58.4	57%	0.574	28%	0.278	S	S	*	.	H	α-helix	trans	-60	-38.1	172.7	-70.4	171.6	-171.9	172.6	0	111.9	D379 E380 I381 T386 R387	D379-K383 VanDerWaalsContact O-CG 3.32Å; D379-K383 WeakPolarHBondContact O-CG 3.2Å; D379-K383 PolarHBondContact O-N 3.37Å; E380-K383 PolarHBondContact O-N 3.49Å; I381-K383 VanDerWaalsContact C-N 3.35Å; I381-K383 PolarHBondContact O-N 3.04Å; K383-T386 PolarHBondContact O-N 3.37Å; K383-T386 PolarHBondContact O-OG1 2.75Å; K383-R387 PolarHBondContact O-NH1 3.12Å
384	F	98.1	Very high	96.8	Very high	1 Å²	1	61 Å²	61	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-47.5	175.6	171	-88.1	0	0	0	111.7	E380 I381 D382 T386 R387 H388 P391 N395 E398 L399	E380-F384 WeakPolarHBondContact O-CB 3.39Å; E380-F384 PolarHBondContact O-N 3.44Å; I381-F384 WeakPolarHBondContact O-CA 3.16Å; I381-F384 VanDerWaalsContact O-CB 3.31Å; I381-F384 WeakPolarHBondContact O-CB 3.32Å; I381-F384 PolarHBondContact O-N 3.3Å; I381-F384 VanDerWaalsContact O-N 3.1Å; D382-F384 VanDerWaalsContact C-N 3.27Å; D382-F384 PolarHBondContact O-N 2.95Å; F384-T386 PolarHBondContact O-N 3.17Å; F384-R387 PolarHBondContact O-N 2.97Å; F384-H388 AromaticContact CD2-CD2 3.56Å; F384-H388 HydrophobicContact CE1-CB 3.96Å; F384-H388 HydrophobicContact CE2-CB 4.28Å; F384-H388 AromaticContact CE2-CD2 3.38Å; F384-H388 WeakPolarHBondContact CE2-CD2 3.13Å; F384-H388 AromaticContact CE2-CG 3.96Å; F384-H388 HydrophobicContact CZ-CB 3.82Å; F384-H388 AromaticContact CZ-CD2 3.85Å; F384-H388 AromaticContact CZ-CG 3.99Å; F384-H388 PolarHBondContact O-CD2 3.26Å; F384-H388 PolarHBondContact O-N 2.99Å; F384-H388 VanDerWaalsContact O-N 3.09Å; F384-P391 HydrophobicContact CE1-CB 4.47Å; F384-P391 HydrophobicContact CE1-CG 4.01Å; F384-P391 HydrophobicContact CZ-CB 4.49Å; F384-N395 HydrophobicContact CE2-CB 3.9Å; F384-N395 WeakPolarHBondContact CE2-O 3.44Å; F384-N395 HydrophobicContact CZ-CB 4.21Å; F384-N395 WeakPolarHBondContact CZ-OD1 3.37Å; F384-E398 HydrophobicContact CD2-CB 4.33Å; F384-L399 HydrophobicContact CB-CD2 3.59Å; F384-L399 HydrophobicContact CD1-CD2 4.43Å; F384-L399 HydrophobicContact CD2-CD2 3.93Å; F384-L399 HydrophobicContact CD2-CG 4.12Å; F384-L399 HydrophobicContact CG-CD2 3.73Å; F384-L399 HydrophobicContact CG-CG 4.3Å
385	F	96.7	Very high	96.6	Very high	34 Å²	34	61.1 Å²	61.1	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-71.8	-10.5	179.6	-80.9	-76.1	0	0	0	114.4	I381 D382 H388 P391 H507	I381-F385 HydrophobicContact CG2-CD2 3.56Å; I381-F385 HydrophobicContact CG2-CE2 3.63Å; I381-F385 VanDerWaalsContact O-CD2 3.31Å; I381-F385 WeakPolarHBondContact O-CD2 3.28Å; I381-F385 PolarHBondContact O-N 3.35Å; D382-F385 PolarHBondContact O-N 3.27Å; F385-H388 WeakPolarHBondContact CA-O 3.37Å; F385-P391 HydrophobicContact CE1-CG 4.46Å; F385-P391 HydrophobicContact CZ-CG 3.88Å; F385-H507 VanDerWaalsContact CB-CE1 3.4Å; F385-H507 WeakPolarHBondContact CB-CE1 3.28Å; F385-H507 AromaticContact CD1-NE2 3.99Å; F385-H507 HydrophobicContact CD2-CB 3.95Å; F385-H507 AromaticContact CD2-CD2 3.64Å; F385-H507 AromaticContact CD2-CE1 3.59Å; F385-H507 AromaticContact CD2-CG 3.4Å; F385-H507 AromaticContact CD2-ND1 3.37Å; F385-H507 WeakPolarHBondContact CD2-ND1 3.23Å; F385-H507 AromaticContact CD2-NE2 3.84Å; F385-H507 HydrophobicContact CE2-CB 3.64Å; F385-H507 AromaticContact CE2-CD2 3.77Å; F385-H507 AromaticContact CE2-CG 3.55Å; F385-H507 AromaticContact CG-CD2 3.81Å; F385-H507 AromaticContact CG-CE1 3.54Å; F385-H507 AromaticContact CG-CG 4Å; F385-H507 AromaticContact CG-ND1 3.85Å; F385-H507 AromaticContact CG-NE2 3.6Å; F385-H507 HydrophobicContact CZ-CB 4.37Å
386	T	96.6	Very high	96.5	Very high	115 Å²	115	55.2 Å²	55.2	71%	0.706	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.3	165.8	66.3	0	0	0	0	113.4	D382 K383 F384	D382-T386 WeakPolarHBondContact O-CG2 3.37Å; D382-T386 PolarHBondContact O-N 3.01Å; D382-T386 VanDerWaalsContact O-N 3.12Å; K383-T386 PolarHBondContact O-N 3.37Å; K383-T386 PolarHBondContact O-OG1 2.75Å; F384-T386 PolarHBondContact O-N 3.17Å
387	R	96.3	Very high	96.2	Very high	146 Å²	146	53.6 Å²	53.6	55%	0.551	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-23.6	-175	-59.3	-171	-62.2	-91.7	3.2	113.4	K383 F384 E398	K383-R387 PolarHBondContact O-NH1 3.12Å; F384-R387 PolarHBondContact O-N 2.97Å; R387-E398 IonicContact CZ-OE2 3.71Å; R387-E398 IonicContact NE-OE2 2.75Å; R387-E398 IonicContact NH2-OE2 2.66Å; R387-E398 PolarHBondContact NH2-OE2 3.02Å
388	H	96.4	Very high	96.1	Very high	42 Å²	42	57.2 Å²	57.2	19%	0.194	29%	0.29	C	S	.	.			trans	-133.6	133	-172	-58.2	-75.4	0	0	0	110.4	F384 F385 N395 E398	F384-H388 AromaticContact CD2-CD2 3.56Å; F384-H388 HydrophobicContact CE1-CB 3.96Å; F384-H388 HydrophobicContact CE2-CB 4.28Å; F384-H388 AromaticContact CE2-CD2 3.38Å; F384-H388 WeakPolarHBondContact CE2-CD2 3.13Å; F384-H388 AromaticContact CE2-CG 3.96Å; F384-H388 HydrophobicContact CZ-CB 3.82Å; F384-H388 AromaticContact CZ-CD2 3.85Å; F384-H388 AromaticContact CZ-CG 3.99Å; F384-H388 PolarHBondContact O-CD2 3.26Å; F384-H388 PolarHBondContact O-N 2.99Å; F384-H388 VanDerWaalsContact O-N 3.09Å; F385-H388 WeakPolarHBondContact CA-O 3.37Å; H388-N395 PolarHBondContact ND1-ND2 3.23Å; H388-E398 IonicContact CD2-OE2 3.2Å; H388-E398 IonicContact CE1-OE1 2.69Å; H388-E398 PolarHBondContact CE1-OE1 3.43Å; H388-E398 IonicContact NE2-OE1 2.79Å; H388-E398 PolarHBondContact NE2-OE1 2.7Å; H388-E398 IonicContact NE2-OE2 3.97Å; H388-E398 PolarHBondContact NE2-OE2 3.02Å
389	D	91.9	Very high	96.1	Very high	168 Å²	168	56.7 Å²	56.7	90%	0.898	29%	0.287	S	S	*	.	S	Bend	trans	-70.2	-34.6	178.4	-64.8	-33.5	0	0	0	112.4
390	S	94.2	Very high	96	Very high	46 Å²	46	59.8 Å²	59.8	32%	0.322	30%	0.297	S	S	.	.	S	Bend	trans	-152.5	147.3	-178.1	-169.8	0	0	0	0	111.8	N160 N395	N160-S390 PolarHBondContact OD1-OG 3.08Å; S390-N395 PolarHBondContact O-ND2 2.82Å; S390-N395 VanDerWaalsContact O-ND2 3.14Å
391	P	96.3	Very high	96.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.			trans	-60.2	132.1	169.3	-23.6	35.4	0	0	0	112.8	N160 F384 F385 I500 A503	N160-P391 PolarHBondContact ND2-O 2.78Å; F384-P391 HydrophobicContact CE1-CB 4.47Å; F384-P391 HydrophobicContact CE1-CG 4.01Å; F384-P391 HydrophobicContact CZ-CB 4.49Å; F385-P391 HydrophobicContact CE1-CG 4.46Å; F385-P391 HydrophobicContact CZ-CG 3.88Å; P391-I500 HydrophobicContact CB-CB 4.43Å; P391-I500 HydrophobicContact CB-CG1 3.92Å; P391-I500 HydrophobicContact CB-CG2 4.38Å; P391-A503 HydrophobicContact CG-CB 3.81Å
392	D	94.5	Very high	96.1	Very high	54 Å²	54	58.5 Å²	58.5	29%	0.289	29%	0.29	S	S	.	.			trans	-133.4	-179.3	173.7	81.4	13.8	0	0	0	111.7	V156 S394 N395 V396	V156-D392 HydrophobicContact CG1-CB 4Å; D392-S394 VanDerWaalsContact C-N 3.3Å; D392-S394 VanDerWaalsContact CG-OG 3.32Å; D392-S394 PolarHBondContact O-N 2.95Å; D392-S394 WeakPolarHBondContact OD1-CA 3.41Å; D392-S394 WeakPolarHBondContact OD1-CB 3.29Å; D392-S394 PolarHBondContact OD1-N 2.81Å; D392-S394 PolarHBondContact OD1-OG 2.87Å; D392-S394 PolarHBondContact OD2-OG 2.87Å; D392-N395 PolarHBondContact N-OD1 3.25Å; D392-N395 PolarHBondContact O-OD1 2.99Å; D392-N395 PolarHBondContact OD1-N 3.39Å; D392-N395 PolarHBondContact OD1-OD1 3.12Å; D392-V396 WeakPolarHBondContact O-CB 3.3Å; D392-V396 WeakPolarHBondContact O-CG1 3.37Å; D392-V396 PolarHBondContact O-N 3.35Å
393	Y	93.6	Very high	96.1	Very high	38 Å²	38	57.3 Å²	57.3	15%	0.149	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.9	-177.8	178.6	-92.9	0	0	0	113.9	A149 M152 K153 Q397 R492 L496	A149-Y393 HydrophobicContact CB-CE1 3.76Å; M152-Y393 HydrophobicContact CB-CD2 3.3Å; M152-Y393 HydrophobicContact CB-CE2 3.49Å; M152-Y393 VanDerWaalsContact CB-CE2 3.49Å; M152-Y393 HydrophobicContact CB-CG 4.03Å; M152-Y393 HydrophobicContact CG-CD2 4.07Å; M152-Y393 HydrophobicContact CG-CE2 3.78Å; K153-Y393 HydrophobicContact CD-CD1 4.29Å; K153-Y393 HydrophobicContact CG-CD1 3.68Å; K153-Y393 HydrophobicContact CG-CG 3.91Å; Y393-Q397 PolarHBondContact O-NE2 3.18Å; Y393-R492 PolarHBondContact OH-NH2 2.78Å; Y393-L496 HydrophobicContact CD2-CD1 4.18Å; Y393-L496 HydrophobicContact CD2-CD2 4.06Å
394	S	93.6	Very high	96.2	Very high	68 Å²	68	52.5 Å²	52.5	48%	0.476	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-40.6	-177.3	12.3	0	0	0	0	112.8	D392	D392-S394 VanDerWaalsContact C-N 3.3Å; D392-S394 VanDerWaalsContact CG-OG 3.32Å; D392-S394 PolarHBondContact O-N 2.95Å; D392-S394 WeakPolarHBondContact OD1-CA 3.41Å; D392-S394 WeakPolarHBondContact OD1-CB 3.29Å; D392-S394 PolarHBondContact OD1-N 2.81Å; D392-S394 PolarHBondContact OD1-OG 2.87Å; D392-S394 PolarHBondContact OD2-OG 2.87Å
395	N	96.1	Very high	96.2	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.064	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-25.1	-171	68.4	16.1	0	0	0	113	F384 H388 S390 D392 Q397 E398	F384-N395 HydrophobicContact CE2-CB 3.9Å; F384-N395 WeakPolarHBondContact CE2-O 3.44Å; F384-N395 HydrophobicContact CZ-CB 4.21Å; F384-N395 WeakPolarHBondContact CZ-OD1 3.37Å; H388-N395 PolarHBondContact ND1-ND2 3.23Å; S390-N395 PolarHBondContact O-ND2 2.82Å; S390-N395 VanDerWaalsContact O-ND2 3.14Å; D392-N395 PolarHBondContact N-OD1 3.25Å; D392-N395 PolarHBondContact O-OD1 2.99Å; D392-N395 PolarHBondContact OD1-N 3.39Å; D392-N395 PolarHBondContact OD1-OD1 3.12Å; N395-Q397 PolarHBondContact O-N 3.23Å; N395-E398 VanDerWaalsContact O-CB 3.27Å; N395-E398 WeakPolarHBondContact O-CB 3.18Å; N395-E398 WeakPolarHBondContact O-CG 3.26Å; N395-E398 PolarHBondContact O-N 2.82Å
396	V	94.9	Very high	96.3	Very high	4 Å²	4	51 Å²	51	2%	0.024	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.5	-15.9	-177.6	74.7	0	0	0	0	113.2	D392 E398 L399 L496 R499 I500	D392-V396 WeakPolarHBondContact O-CB 3.3Å; D392-V396 WeakPolarHBondContact O-CG1 3.37Å; D392-V396 PolarHBondContact O-N 3.35Å; V396-E398 VanDerWaalsContact C-N 3.25Å; V396-E398 PolarHBondContact O-N 3.38Å; V396-L399 HydrophobicContact CG2-CD1 4.16Å; V396-L399 PolarHBondContact O-N 3.21Å; V396-L496 HydrophobicContact CG1-CD1 3.92Å; V396-R499 HydrophobicContact CG2-CB 3.62Å; V396-I500 HydrophobicContact CG2-CG1 4.5Å
397	Q	92.4	Very high	96.4	Very high	80 Å²	80	45.9 Å²	45.9	37%	0.374	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-73.7	-16.4	175	-56.7	-179.7	26.9	0	0	112.8	Y393 N395 L399	Y393-Q397 PolarHBondContact O-NE2 3.18Å; N395-Q397 PolarHBondContact O-N 3.23Å; Q397-L399 PolarHBondContact O-N 3.11Å
398	E	96.9	Very high	96.5	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.36	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-66.8	-23.4	172.7	-68	-179.9	-145.6	0	0	112.6	F384 R387 H388 N395 V396 K400	F384-E398 HydrophobicContact CD2-CB 4.33Å; R387-E398 IonicContact CZ-OE2 3.71Å; R387-E398 IonicContact NE-OE2 2.75Å; R387-E398 IonicContact NH2-OE2 2.66Å; R387-E398 PolarHBondContact NH2-OE2 3.02Å; H388-E398 IonicContact CD2-OE2 3.2Å; H388-E398 IonicContact CE1-OE1 2.69Å; H388-E398 PolarHBondContact CE1-OE1 3.43Å; H388-E398 IonicContact NE2-OE1 2.79Å; H388-E398 PolarHBondContact NE2-OE1 2.7Å; H388-E398 IonicContact NE2-OE2 3.97Å; H388-E398 PolarHBondContact NE2-OE2 3.02Å; N395-E398 VanDerWaalsContact O-CB 3.27Å; N395-E398 WeakPolarHBondContact O-CB 3.18Å; N395-E398 WeakPolarHBondContact O-CG 3.26Å; N395-E398 PolarHBondContact O-N 2.82Å; V396-E398 VanDerWaalsContact C-N 3.25Å; V396-E398 PolarHBondContact O-N 3.38Å; E398-K400 PolarHBondContact O-N 2.9Å
399	L	98.1	Very high	96.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.192	C	C	.	.			trans	-78.8	68.4	-179.9	-59.3	174.2	0	0	0	110.9	E380 I381 F384 V396 Q397 L402 D403 A503	E380-L399 HydrophobicContact CG-CD2 3.98Å; E380-L399 VanDerWaalsContact OE2-C 3.31Å; E380-L399 WeakPolarHBondContact OE2-CA 3.18Å; I381-L399 HydrophobicContact CG1-CD2 4.07Å; F384-L399 HydrophobicContact CB-CD2 3.59Å; F384-L399 HydrophobicContact CD1-CD2 4.43Å; F384-L399 HydrophobicContact CD2-CD2 3.93Å; F384-L399 HydrophobicContact CD2-CG 4.12Å; F384-L399 HydrophobicContact CG-CD2 3.73Å; F384-L399 HydrophobicContact CG-CG 4.3Å; V396-L399 HydrophobicContact CG2-CD1 4.16Å; V396-L399 PolarHBondContact O-N 3.21Å; Q397-L399 PolarHBondContact O-N 3.11Å; L399-L402 HydrophobicContact CB-CB 3.89Å; L399-L402 HydrophobicContact CB-CD2 4.22Å; L399-L402 HydrophobicContact CD1-CD2 3.79Å; L399-D403 PolarHBondContact O-N 2.99Å; L399-A503 HydrophobicContact CD1-CB 3.87Å
400	K	98.2	Very high	97	Very high	151 Å²	151	29.2 Å²	29.2	66%	0.657	15%	0.15	S	C	*	.	H	α-helix	trans	-67.4	-40	-173.3	-65.4	-178.9	-178.3	-178	0	112.3	E380 E398 D403 M404	E380-K400 PolarHBondContact OE1-N 3.24Å; E398-K400 PolarHBondContact O-N 2.9Å; K400-D403 WeakPolarHBondContact O-CB 3.3Å; K400-D403 PolarHBondContact O-N 2.85Å; K400-M404 WeakPolarHBondContact O-CG 3.33Å; K400-M404 PolarHBondContact O-N 2.95Å
401	Y	98.8	Very high	97.2	Very high	13 Å²	13	27 Å²	27	5%	0.051	14%	0.135	C	C	.	.	H	α-helix	trans	-72.6	-37.7	178.2	-165.3	-105.6	0	0	0	112.1	R376 V377 E380 D403 M404 V405 P462 E463	R376-Y401 HydrophobicContact CB-CD1 3.8Å; R376-Y401 HydrophobicContact CB-CE1 3.4Å; R376-Y401 VanDerWaalsContact CZ-CZ 3.42Å; R376-Y401 PolarHBondContact NH1-OH 3.28Å; V377-Y401 HydrophobicContact CG2-CD1 3.63Å; V377-Y401 HydrophobicContact CG2-CE1 3.86Å; E380-Y401 VanDerWaalsContact CD-N 3.31Å; E380-Y401 WeakPolarHBondContact OE1-CB 3.24Å; E380-Y401 PolarHBondContact OE1-N 3.39Å; E380-Y401 WeakPolarHBondContact OE2-CA 3.24Å; E380-Y401 WeakPolarHBondContact OE2-CB 3.36Å; E380-Y401 PolarHBondContact OE2-N 3.35Å; Y401-D403 VanDerWaalsContact C-N 3.32Å; Y401-D403 PolarHBondContact O-N 2.62Å; Y401-M404 HydrophobicContact CD2-CE 3.83Å; Y401-M404 WeakPolarHBondContact O-CB 3.45Å; Y401-M404 PolarHBondContact O-N 3.2Å; Y401-V405 HydrophobicContact CD1-CG2 4.27Å; Y401-V405 HydrophobicContact CE1-CG2 3.93Å; Y401-V405 WeakPolarHBondContact O-CB 3.49Å; Y401-V405 WeakPolarHBondContact O-CG2 3.49Å; Y401-V405 PolarHBondContact O-N 2.87Å; Y401-P462 HydrophobicContact CE2-CB 3.94Å; Y401-E463 WeakPolarHBondContact CE2-OE1 3.32Å
402	L	98.8	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-42.4	168.3	-177.2	61.2	0	0	0	111.8	V377 E380 L399 M404 V405 V406 R499 L502 A503	V377-L402 HydrophobicContact CG1-CD1 3.97Å; E380-L402 PolarHBondContact OE2-N 2.99Å; L399-L402 HydrophobicContact CB-CB 3.89Å; L399-L402 HydrophobicContact CB-CD2 4.22Å; L399-L402 HydrophobicContact CD1-CD2 3.79Å; L402-M404 PolarHBondContact O-N 2.92Å; L402-V405 PolarHBondContact O-N 2.97Å; L402-V406 HydrophobicContact CD1-CG2 4.37Å; L402-V406 WeakPolarHBondContact O-CG2 3.47Å; L402-V406 PolarHBondContact O-N 3.29Å; L402-R499 HydrophobicContact CD2-CB 4.34Å; L402-L502 HydrophobicContact CD1-CB 3.96Å; L402-L502 HydrophobicContact CD1-CD1 4.08Å; L402-L502 HydrophobicContact CD2-CB 4.32Å; L402-A503 HydrophobicContact CD2-CB 4.47Å
403	D	98.6	Very high	97.5	Very high	22 Å²	22	26.1 Å²	26.1	12%	0.118	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-46	174.2	178	58.4	0	0	0	112.2	L399 K400 Y401 V405 V406 C407 K470 R499	L399-D403 PolarHBondContact O-N 2.99Å; K400-D403 WeakPolarHBondContact O-CB 3.3Å; K400-D403 PolarHBondContact O-N 2.85Å; Y401-D403 VanDerWaalsContact C-N 3.32Å; Y401-D403 PolarHBondContact O-N 2.62Å; D403-V405 VanDerWaalsContact C-N 3.32Å; D403-V405 PolarHBondContact O-N 2.96Å; D403-V406 PolarHBondContact O-N 3.01Å; D403-C407 WeakPolarHBondContact O-CB 3.27Å; D403-C407 PolarHBondContact O-N 3.44Å; D403-C407 PolarHBondContact O-SG 2.84Å; D403-K470 IonicContact OD2-NZ 3.14Å; D403-K470 PolarHBondContact OD2-NZ 3.44Å; D403-R499 IonicContact OD1-CZ 2.66Å; D403-R499 VanDerWaalsContact OD1-CZ 3.28Å; D403-R499 IonicContact OD1-NE 2.74Å; D403-R499 IonicContact OD1-NH2 3.72Å; D403-R499 PolarHBondContact OD1-NH2 3.47Å
404	M	98.8	Very high	97.6	Very high	30 Å²	30	24.3 Å²	24.3	15%	0.148	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-44.7	177	-76.8	-168.8	-95.5	0	0	111.9	K400 Y401 L402 C407 E408 P462 F465 T466	K400-M404 WeakPolarHBondContact O-CG 3.33Å; K400-M404 PolarHBondContact O-N 2.95Å; Y401-M404 HydrophobicContact CD2-CE 3.83Å; Y401-M404 WeakPolarHBondContact O-CB 3.45Å; Y401-M404 PolarHBondContact O-N 3.2Å; L402-M404 PolarHBondContact O-N 2.92Å; M404-C407 PolarHBondContact O-N 2.69Å; M404-E408 WeakPolarHBondContact O-CB 3.25Å; M404-E408 PolarHBondContact O-N 2.92Å; M404-P462 HydrophobicContact CB-CB 4Å; M404-P462 WeakPolarHBondContact CB-O 3.43Å; M404-F465 HydrophobicContact CB-CB 4.18Å; M404-F465 HydrophobicContact CG-CB 3.87Å; M404-T466 HydrophobicContact SD-CG2 3.89Å
405	V	98.9	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-46.6	176.6	156.4	0	0	0	0	111.8	T363 L367 V377 Y401 L402 D403 C407 E408 A409 F460 P462	T363-V405 HydrophobicContact CG2-CG1 3.7Å; L367-V405 HydrophobicContact CD1-CG1 3.97Å; L367-V405 HydrophobicContact CD2-CG1 3.9Å; L367-V405 HydrophobicContact CD2-CG2 4.26Å; L367-V405 HydrophobicContact CG-CG1 4.09Å; V377-V405 HydrophobicContact CG2-CB 4.3Å; V377-V405 HydrophobicContact CG2-CG1 4.44Å; V377-V405 HydrophobicContact CG2-CG2 3.72Å; Y401-V405 HydrophobicContact CD1-CG2 4.27Å; Y401-V405 HydrophobicContact CE1-CG2 3.93Å; Y401-V405 WeakPolarHBondContact O-CB 3.49Å; Y401-V405 WeakPolarHBondContact O-CG2 3.49Å; Y401-V405 PolarHBondContact O-N 2.87Å; L402-V405 PolarHBondContact O-N 2.97Å; D403-V405 VanDerWaalsContact C-N 3.32Å; D403-V405 PolarHBondContact O-N 2.96Å; V405-C407 VanDerWaalsContact C-N 3.35Å; V405-E408 PolarHBondContact O-N 3.49Å; V405-A409 WeakPolarHBondContact O-CB 3.35Å; V405-A409 PolarHBondContact O-N 3.47Å; V405-F460 HydrophobicContact CB-CZ 4.4Å; V405-F460 HydrophobicContact CG1-CZ 4.12Å; V405-F460 HydrophobicContact CG2-CZ 4.23Å; V405-P462 HydrophobicContact CG2-CB 3.97Å; V405-P462 HydrophobicContact CG2-CG 3.71Å
406	V	98.8	Very high	97.8	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	11%	0.107	C	C	.	.	H	α-helix	trans	-65.4	-39.9	178.1	172.4	0	0	0	0	110.9	T359 T363 L402 D403 A409 L410 I498 L502	T359-V406 HydrophobicContact CG2-CG1 4.49Å; T363-V406 HydrophobicContact CG2-CG2 4.37Å; L402-V406 HydrophobicContact CD1-CG2 4.37Å; L402-V406 WeakPolarHBondContact O-CG2 3.47Å; L402-V406 PolarHBondContact O-N 3.29Å; D403-V406 PolarHBondContact O-N 3.01Å; V406-A409 PolarHBondContact O-N 3.23Å; V406-L410 HydrophobicContact CG1-CD1 4.21Å; V406-L410 WeakPolarHBondContact O-CB 3.27Å; V406-L410 WeakPolarHBondContact O-CG 3.47Å; V406-L410 PolarHBondContact O-N 3.22Å; V406-I498 HydrophobicContact CG1-CG2 4.12Å; V406-I498 HydrophobicContact CG2-CG2 4.15Å; V406-L502 HydrophobicContact CG2-CD1 3.57Å
407	C	98.8	Very high	97.8	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.054	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-42.9	176.3	-73	0	0	0	0	112.2	D403 M404 V405 A409 L410 R411 F465 Y478	D403-C407 WeakPolarHBondContact O-CB 3.27Å; D403-C407 PolarHBondContact O-N 3.44Å; D403-C407 PolarHBondContact O-SG 2.84Å; M404-C407 PolarHBondContact O-N 2.69Å; V405-C407 VanDerWaalsContact C-N 3.35Å; C407-A409 VanDerWaalsContact C-N 3.35Å; C407-L410 PolarHBondContact O-N 3.2Å; C407-R411 PolarHBondContact O-N 3.17Å; C407-F465 HydrophobicContact CB-CB 4.02Å; C407-F465 HydrophobicContact CB-CD1 3.5Å; C407-F465 HydrophobicContact CB-CD2 3.64Å; C407-F465 HydrophobicContact CB-CE1 3.78Å; C407-F465 HydrophobicContact CB-CE2 3.91Å; C407-F465 HydrophobicContact CB-CG 3.41Å; C407-F465 VanDerWaalsContact CB-CG 3.41Å; C407-F465 HydrophobicContact CB-CZ 3.97Å; C407-Y478 VanDerWaalsContact CA-OH 3.26Å; C407-Y478 WeakPolarHBondContact CA-OH 3.44Å; C407-Y478 WeakPolarHBondContact CB-OH 3.25Å; C407-Y478 PolarHBondContact O-OH 2.79Å; C407-Y478 VanDerWaalsContact O-OH 3.04Å
408	E	98.8	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.5	-34.7	176.9	-177.7	67.4	177.9	0	0	112	M404 V405 R411 L412 R459 F460 I461 R464 F465	M404-E408 WeakPolarHBondContact O-CB 3.25Å; M404-E408 PolarHBondContact O-N 2.92Å; V405-E408 PolarHBondContact O-N 3.49Å; E408-R411 VanDerWaalsContact CD-NE 3.31Å; E408-R411 WeakPolarHBondContact O-CB 3.44Å; E408-R411 PolarHBondContact O-N 3.36Å; E408-R411 IonicContact OE1-CZ 3.96Å; E408-R411 IonicContact OE1-NE 3.63Å; E408-R411 PolarHBondContact OE1-NE 2.89Å; E408-R411 IonicContact OE1-NH2 2.78Å; E408-R411 PolarHBondContact OE1-NH2 3.13Å; E408-R411 WeakPolarHBondContact OE2-CD 3.37Å; E408-R411 IonicContact OE2-CZ 3.32Å; E408-R411 IonicContact OE2-NE 3.68Å; E408-R411 PolarHBondContact OE2-NE 3.02Å; E408-R411 IonicContact OE2-NH2 2.74Å; E408-L412 PolarHBondContact O-N 3.14Å; E408-R459 VanDerWaalsContact OE1-O 3.05Å; E408-F460 HydrophobicContact CB-CD2 4.13Å; E408-F460 HydrophobicContact CB-CE2 3.72Å; E408-F460 HydrophobicContact CG-CD2 3.34Å; E408-F460 HydrophobicContact CG-CE2 3.47Å; E408-F460 VanDerWaalsContact CG-CE2 3.47Å; E408-F460 HydrophobicContact CG-CG 4.21Å; E408-F460 HydrophobicContact CG-CZ 4.44Å; E408-I461 PolarHBondContact OE1-N 3.46Å; E408-R464 IonicContact OE1-NH1 2.65Å; E408-F465 HydrophobicContact CB-CD2 4.02Å; E408-F465 HydrophobicContact CB-CE2 3.97Å; E408-F465 VanDerWaalsContact OE2-CE2 3.27Å; E408-F465 WeakPolarHBondContact OE2-CE2 3.34Å
409	A	98.8	Very high	97.8	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.017	9%	0.089	C	C	.	.	H	α-helix	trans	-63.1	-42.5	170.9	0	0	0	0	0	112	T363 L366 V405 V406 C407 R411 L412 Y413	T363-A409 WeakPolarHBondContact OG1-CB 3.36Å; L366-A409 HydrophobicContact CD1-CB 3.69Å; V405-A409 WeakPolarHBondContact O-CB 3.35Å; V405-A409 PolarHBondContact O-N 3.47Å; V406-A409 PolarHBondContact O-N 3.23Å; C407-A409 VanDerWaalsContact C-N 3.35Å; A409-R411 VanDerWaalsContact C-N 3.28Å; A409-R411 PolarHBondContact O-N 2.92Å; A409-L412 PolarHBondContact O-N 3.32Å; A409-Y413 PolarHBondContact O-N 3.27Å
410	L	98.8	Very high	97.6	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-67.7	-25.1	174.5	-78	171.3	0	0	0	113.3	T359 V406 C407 P414 H448 P480 F481	T359-L410 HydrophobicContact CG2-CD2 3.69Å; T359-L410 HydrophobicContact CG2-CG 3.9Å; V406-L410 HydrophobicContact CG1-CD1 4.21Å; V406-L410 WeakPolarHBondContact O-CB 3.27Å; V406-L410 WeakPolarHBondContact O-CG 3.47Å; V406-L410 PolarHBondContact O-N 3.22Å; C407-L410 PolarHBondContact O-N 3.2Å; L410-P414 VanDerWaalsContact O-CA 3.29Å; L410-P414 WeakPolarHBondContact O-CA 3.29Å; L410-P414 VanDerWaalsContact O-CB 3.26Å; L410-P414 WeakPolarHBondContact O-CB 3.29Å; L410-P414 WeakPolarHBondContact O-CD 3.4Å; L410-H448 PolarHBondContact O-ND1 3.31Å; L410-P480 HydrophobicContact CB-CB 3.95Å; L410-P480 HydrophobicContact CB-CG 4.49Å; L410-P480 HydrophobicContact CD1-CB 4.42Å; L410-P480 HydrophobicContact CD2-CB 4.36Å; L410-P480 HydrophobicContact CG-CB 4.49Å; L410-F481 HydrophobicContact CD1-CE2 3.7Å; L410-F481 HydrophobicContact CD1-CZ 3.93Å
411	R	98.6	Very high	97.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-72.4	-50.2	171.3	-171.1	-164.7	65.7	76.3	-1.2	111	C407 E408 A409 P414 H448 W454 P457 R459 F465 Y478	C407-R411 PolarHBondContact O-N 3.17Å; E408-R411 VanDerWaalsContact CD-NE 3.31Å; E408-R411 WeakPolarHBondContact O-CB 3.44Å; E408-R411 PolarHBondContact O-N 3.36Å; E408-R411 IonicContact OE1-CZ 3.96Å; E408-R411 IonicContact OE1-NE 3.63Å; E408-R411 PolarHBondContact OE1-NE 2.89Å; E408-R411 IonicContact OE1-NH2 2.78Å; E408-R411 PolarHBondContact OE1-NH2 3.13Å; E408-R411 WeakPolarHBondContact OE2-CD 3.37Å; E408-R411 IonicContact OE2-CZ 3.32Å; E408-R411 IonicContact OE2-NE 3.68Å; E408-R411 PolarHBondContact OE2-NE 3.02Å; E408-R411 IonicContact OE2-NH2 2.74Å; A409-R411 VanDerWaalsContact C-N 3.28Å; A409-R411 PolarHBondContact O-N 2.92Å; R411-P414 WeakPolarHBondContact O-CD 3.3Å; R411-H448 HydrophobicContact CG-CB 3.86Å; R411-H448 WeakPolarHBondContact CG-O 3.34Å; R411-H448 PolarHBondContact NH1-O 3.03Å; R411-H448 WeakPolarHBondContact O-CB 3.4Å; R411-H448 PolarHBondContact O-ND1 2.94Å; R411-W454 VanDerWaalsContact CD-CE3 3.44Å; R411-W454 HydrophobicContact CG-CH2 3.93Å; R411-W454 HydrophobicContact CG-CZ2 4.03Å; R411-W454 HydrophobicContact CG-CZ3 4.28Å; R411-P457 PolarHBondContact NH1-O 3.48Å; R411-P457 PolarHBondContact NH2-O 2.96Å; R411-R459 PolarHBondContact NH2-O 3.47Å; R411-F465 HydrophobicContact CB-CE2 4.35Å; R411-F465 HydrophobicContact CB-CZ 4.19Å; R411-Y478 HydrophobicContact CB-CD2 4.25Å; R411-Y478 HydrophobicContact CB-CE2 3.9Å; R411-Y478 HydrophobicContact CG-CD2 4.37Å
412	L	98.4	Very high	97.3	Very high	4 Å²	4	13 Å²	13	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-69.8	-39.9	-178.7	-74.7	177	0	0	0	112.2	L366 E408 A409 Y449 F460	L366-L412 HydrophobicContact CD1-CD1 4.14Å; L366-L412 HydrophobicContact CD2-CD1 3.77Å; E408-L412 PolarHBondContact O-N 3.14Å; A409-L412 PolarHBondContact O-N 3.32Å; L412-Y449 WeakPolarHBondContact CA-OH 3.28Å; L412-Y449 HydrophobicContact CD2-CE1 3.77Å; L412-Y449 HydrophobicContact CD2-CE2 4.42Å; L412-Y449 WeakPolarHBondContact CD2-OH 3.26Å; L412-Y449 WeakPolarHBondContact O-CE2 3.12Å; L412-Y449 PolarHBondContact O-OH 3.45Å; L412-F460 HydrophobicContact CD1-CB 3.95Å; L412-F460 HydrophobicContact CD1-CD2 3.79Å; L412-F460 HydrophobicContact CD1-CG 4.37Å
413	Y	98.1	Very high	97.2	Very high	30 Å²	30	13 Å²	13	12%	0.118	7%	0.069	C	C	.	.	S	Bend	trans	-132	65.3	-174.8	-55.4	-65.4	0	0	0	112.2	F362 Y365 L366 A409 P415 L523 L529	F362-Y413 HydrophobicContact CB-CD2 3.91Å; F362-Y413 HydrophobicContact CB-CG 4.29Å; F362-Y413 HydrophobicContact CD1-CD1 4.41Å; F362-Y413 AromaticContact CD1-CD2 3.9Å; F362-Y413 HydrophobicContact CD1-CD2 3.9Å; F362-Y413 HydrophobicContact CD1-CE2 4.5Å; F362-Y413 AromaticContact CD1-CG 3.83Å; F362-Y413 HydrophobicContact CD1-CG 3.83Å; F362-Y413 HydrophobicContact CD2-CG 4.16Å; F362-Y413 HydrophobicContact CE1-CD1 4.3Å; F362-Y413 HydrophobicContact CE1-CG 4.11Å; F362-Y413 HydrophobicContact CE2-CG 4.41Å; F362-Y413 AromaticContact CG-CD2 3.92Å; F362-Y413 HydrophobicContact CG-CD2 3.92Å; F362-Y413 AromaticContact CG-CG 3.86Å; F362-Y413 HydrophobicContact CG-CG 3.86Å; F362-Y413 HydrophobicContact CZ-CG 4.37Å; Y365-Y413 HydrophobicContact CD1-CE2 4.31Å; Y365-Y413 HydrophobicContact CE1-CE2 4.41Å; L366-Y413 HydrophobicContact CD1-CD2 3.88Å; L366-Y413 HydrophobicContact CD1-CE2 3.94Å; L366-Y413 HydrophobicContact CD2-CE2 3.87Å; L366-Y413 HydrophobicContact CG-CD2 4.34Å; L366-Y413 HydrophobicContact CG-CE2 3.95Å; A409-Y413 PolarHBondContact O-N 3.27Å; Y413-P415 WeakPolarHBondContact O-CD 3.28Å; Y413-L523 HydrophobicContact CD1-CD1 4.07Å; Y413-L523 HydrophobicContact CD1-CD2 4.18Å; Y413-L523 HydrophobicContact CE1-CD1 4Å; Y413-L523 HydrophobicContact CE1-CD2 4.24Å; Y413-L529 HydrophobicContact CD1-CD2 4.45Å
414	P	97.4	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.			trans	-67.3	116.7	179.4	25.9	-33.5	0	0	0	110.6	F68 L410 R411 G416 F417 V444 L529	F68-P414 HydrophobicContact CE2-CG 4.46Å; L410-P414 VanDerWaalsContact O-CA 3.29Å; L410-P414 WeakPolarHBondContact O-CA 3.29Å; L410-P414 VanDerWaalsContact O-CB 3.26Å; L410-P414 WeakPolarHBondContact O-CB 3.29Å; L410-P414 WeakPolarHBondContact O-CD 3.4Å; R411-P414 WeakPolarHBondContact O-CD 3.3Å; P414-G416 PolarHBondContact O-N 3.15Å; P414-F417 HydrophobicContact CG-CB 4.03Å; P414-F417 WeakPolarHBondContact O-CB 3.41Å; P414-F417 PolarHBondContact O-N 3.28Å; P414-V444 HydrophobicContact CB-CG1 4.42Å; P414-L529 HydrophobicContact CG-CD2 4.49Å; P414-L529 WeakPolarHBondContact O-CB 3.19Å
415	P	96.9	Very high	96.8	Very high	6 Å²	6	17 Å²	17	4%	0.039	9%	0.089	C	C	.	.	S	Bend	trans	-56.8	-37.7	175	-24.7	34.7	0	0	0	111.8	T355 N358 T359 Y413 F417 T528 L529	T355-P415 HydrophobicContact CG2-CB 4.19Å; T355-P415 WeakPolarHBondContact O-CG 3.29Å; N358-P415 HydrophobicContact CB-CG 4.19Å; T359-P415 WeakPolarHBondContact OG1-CG 3.27Å; Y413-P415 WeakPolarHBondContact O-CD 3.28Å; P415-F417 PolarHBondContact O-N 2.8Å; P415-T528 WeakPolarHBondContact O-CA 3.38Å; P415-L529 PolarHBondContact O-N 2.66Å
416	G	95.2	Very high	96.6	Very high	21 Å²	21	22.6 Å²	22.6	22%	0.216	12%	0.118	C	C	.	.	S	Bend	trans	-89.9	71.4	169.1	0	0	0	0	0	112.7	P414 F419	P414-G416 PolarHBondContact O-N 3.15Å; G416-F419 WeakPolarHBondContact O-CZ 3.46Å
417	F	96.4	Very high	96.4	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.013	13%	0.125	C	C	.	.			trans	-81.5	-10.9	-175.2	71	-84.3	0	0	0	115.1	F67 F68 P414 P415 V444 G445 S525 L529	F67-F417 HydrophobicContact CB-CE2 3.58Å; F67-F417 HydrophobicContact CB-CZ 3.89Å; F68-F417 HydrophobicContact CB-CD2 4.25Å; F68-F417 HydrophobicContact CB-CE2 4.32Å; F68-F417 HydrophobicContact CD2-CB 3.76Å; F68-F417 AromaticContact CD2-CD2 3.82Å; F68-F417 HydrophobicContact CD2-CD2 3.82Å; F68-F417 AromaticContact CD2-CG 3.92Å; F68-F417 HydrophobicContact CD2-CG 3.92Å; F68-F417 HydrophobicContact CE2-CB 4Å; P414-F417 HydrophobicContact CG-CB 4.03Å; P414-F417 WeakPolarHBondContact O-CB 3.41Å; P414-F417 PolarHBondContact O-N 3.28Å; P415-F417 PolarHBondContact O-N 2.8Å; F417-V444 WeakPolarHBondContact O-CB 3.47Å; F417-V444 PolarHBondContact O-N 3.17Å; F417-V444 VanDerWaalsContact O-N 3.1Å; F417-G445 PolarHBondContact O-N 3.43Å; F417-S525 WeakPolarHBondContact CZ-O 3.44Å; F417-L529 HydrophobicContact CB-CB 4.42Å; F417-L529 HydrophobicContact CD1-CB 3.8Å; F417-L529 HydrophobicContact CG-CB 4.4Å
418	R	94.8	Very high	96.3	Very high	55 Å²	55	27.7 Å²	27.7	21%	0.208	15%	0.15	C	C	.	.			trans	-150.1	141.8	174.5	68.2	-179.3	-169.9	107.9	3	111.6	E441 I442	R418-E441 IonicContact CZ-OE2 3.58Å; R418-E441 IonicContact NH1-OE2 3.45Å; R418-E441 PolarHBondContact NH1-OE2 3.29Å; R418-I442 WeakPolarHBondContact CA-O 3.45Å
419	F	94.4	Very high	96.1	Very high	35 Å²	35	28 Å²	28	15%	0.154	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153.5	175.5	-56.4	-57.7	0	0	0	111.2	G416 E441 I442 V444	G416-F419 WeakPolarHBondContact O-CZ 3.46Å; F419-E441 CarbonylContact O-C 3.54Å; F419-E441 WeakPolarHBondContact O-CA 3.17Å; F419-I442 HydrophobicContact CB-CB 4.26Å; F419-I442 HydrophobicContact CB-CD1 4.08Å; F419-I442 PolarHBondContact N-O 3.47Å; F419-I442 PolarHBondContact O-N 3.35Å; F419-V444 HydrophobicContact CD2-CG2 3.56Å; F419-V444 HydrophobicContact CE2-CG2 3.54Å
420	A	94.4	Very high	95.8	Very high	22 Å²	22	32 Å²	32	18%	0.182	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.7	-179	0	0	0	0	0	112	M115 T439 L440	M115-A420 HydrophobicContact CB-CB 3.87Å; A420-T439 HydrophobicContact CB-CG2 3.74Å; A420-L440 CarbonylContact C-O 3.38Å; A420-L440 VanDerWaalsContact CA-O 3.29Å; A420-L440 WeakPolarHBondContact CA-O 3.43Å
421	R	95.8	Very high	95.6	Very high	4 Å²	4	35 Å²	35	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150	165	-63.9	-61.3	-178.1	-85	-8.3	110	F111 N113 T439 L440 R486	F111-R421 HydrophobicContact CB-CB 4.27Å; F111-R421 HydrophobicContact CB-CG 4.41Å; F111-R421 WeakPolarHBondContact O-CD 3.5Å; N113-R421 CarbonylContact O-C 3.54Å; N113-R421 VanDerWaalsContact O-CA 3.27Å; N113-R421 WeakPolarHBondContact O-CA 3.25Å; N113-R421 WeakPolarHBondContact O-CD 3.46Å; R421-T439 CarbonylContact O-C 3.59Å; R421-T439 WeakPolarHBondContact O-CA 3.46Å; R421-L440 HydrophobicContact CB-CB 4.37Å; R421-L440 PolarHBondContact N-O 3.39Å; R421-L440 PolarHBondContact O-N 3.35Å; R421-R486 VanDerWaalsContact NH2-CB 3.34Å
422	E	95.1	Very high	95.5	Very high	22 Å²	22	36.8 Å²	36.8	10%	0.103	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.6	172.1	-171.7	156.8	-142.3	0	0	110.5	R89 N113 R132 D424	R89-E422 IonicContact CZ-OE1 3.6Å; R89-E422 IonicContact NH1-OE1 2.97Å; R89-E422 PolarHBondContact NH1-OE1 2.91Å; R89-E422 IonicContact NH2-OE1 3.84Å; R89-E422 PolarHBondContact NH2-OE1 3.1Å; N113-E422 HydrophobicContact CB-CB 4.47Å; N113-E422 PolarHBondContact O-N 2.8Å; R132-E422 IonicContact CZ-OE2 2.87Å; R132-E422 IonicContact NH1-OE2 2.62Å; R132-E422 PolarHBondContact NH1-OE2 2.9Å; R132-E422 IonicContact NH2-OE2 3.58Å; R132-E422 PolarHBondContact NH2-OE2 3.47Å; E422-D424 VanDerWaalsContact CG-OD1 3.26Å; E422-D424 WeakPolarHBondContact CG-OD1 3.17Å
423	I	95.8	Very high	95.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.231	C	C	.	.			trans	-97.9	97.8	172.5	-59.9	162.8	0	0	0	106.7	V92 F111 H425 L434 P435 G437 A438 L440	V92-I423 HydrophobicContact CG2-CD1 4.39Å; F111-I423 HydrophobicContact CD1-CG1 4.47Å; F111-I423 HydrophobicContact CE1-CG1 4.15Å; I423-H425 WeakPolarHBondContact CG2-O 3.5Å; I423-L434 HydrophobicContact CD1-CB 4.07Å; I423-L434 HydrophobicContact CG2-CB 4.29Å; I423-P435 VanDerWaalsContact CG2-O 3.29Å; I423-P435 WeakPolarHBondContact CG2-O 3.32Å; I423-G437 PolarHBondContact O-N 2.94Å; I423-A438 HydrophobicContact CD1-CB 3.76Å; I423-A438 PolarHBondContact N-O 2.92Å; I423-A438 VanDerWaalsContact N-O 3.09Å; I423-L440 HydrophobicContact CD1-CB 4.02Å; I423-L440 HydrophobicContact CG1-CB 4.09Å
424	D	93.7	Very high	95.4	Very high	58 Å²	58	38.3 Å²	38.3	31%	0.31	23%	0.226	S	C	.	.			trans	-84	-12.5	-172	-77.8	-29.7	0	0	0	113.1	N113 R132 E422 K436	N113-D424 PolarHBondContact ND2-OD2 3.35Å; N113-D424 VanDerWaalsContact ND2-OD2 3.14Å; R132-D424 IonicContact NH2-OD1 3.15Å; R132-D424 PolarHBondContact NH2-OD1 3.25Å; R132-D424 IonicContact NH2-OD2 3.16Å; R132-D424 PolarHBondContact NH2-OD2 3.29Å; E422-D424 VanDerWaalsContact CG-OD1 3.26Å; E422-D424 WeakPolarHBondContact CG-OD1 3.17Å; D424-K436 WeakPolarHBondContact O-CE 3.38Å
425	H	94.3	Very high	95.4	Very high	79 Å²	79	38.6 Å²	38.6	37%	0.366	23%	0.228	S	C	.	.	S	Bend	trans	-149.6	158.7	176.5	57.4	-82.2	0	0	0	111	I423 C427	I423-H425 WeakPolarHBondContact CG2-O 3.5Å; H425-C427 PolarHBondContact O-N 3.37Å
426	D	95.4	Very high	95.3	Very high	116 Å²	116	45 Å²	45	62%	0.62	26%	0.255	S	S	*	.			trans	-66.3	128.5	173.2	-64.3	-41.7	0	0	0	108.9	L434 P435 K436	D426-L434 WeakPolarHBondContact CA-O 3.44Å; D426-P435 WeakPolarHBondContact OD1-CA 3.4Å; D426-K436 WeakPolarHBondContact OD1-CB 3.38Å; D426-K436 PolarHBondContact OD1-N 3.03Å
427	C	95.3	Very high	95.2	Very high	22 Å²	22	45.6 Å²	45.6	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.1	-179.1	54.5	0	0	0	0	111.5	H425 L434	H425-C427 PolarHBondContact O-N 3.37Å; C427-L434 PolarHBondContact N-O 3.24Å; C427-L434 VanDerWaalsContact N-O 3.12Å; C427-L434 PolarHBondContact O-N 3.38Å
428	V	96.2	Very high	95.2	Very high	97 Å²	97	45.4 Å²	45.4	59%	0.588	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	125	172.9	-178.2	0	0	0	0	107.9	Q432 V433	V428-Q432 VanDerWaalsContact CA-O 3.32Å; V428-Q432 WeakPolarHBondContact CA-O 3.41Å; V428-V433 HydrophobicContact CG2-CG2 4.21Å
429	V	94.8	Very high	95.3	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.8	175.6	-175.5	0	0	0	0	107.7	M99 V103 F111 G431 Q432 L434	M99-V429 HydrophobicContact CE-CB 3.9Å; M99-V429 HydrophobicContact CE-CG1 4.26Å; M99-V429 HydrophobicContact CG-CB 4.45Å; M99-V429 HydrophobicContact CG-CG1 3.78Å; V103-V429 HydrophobicContact CG2-CG1 4.15Å; F111-V429 HydrophobicContact CE2-CG2 4.12Å; F111-V429 HydrophobicContact CZ-CG2 3.83Å; V429-G431 PolarHBondContact O-N 3.25Å; V429-G431 VanDerWaalsContact O-N 3.16Å; V429-Q432 PolarHBondContact N-O 3.14Å; V429-Q432 PolarHBondContact O-N 2.82Å; V429-L434 HydrophobicContact CB-CD1 4.21Å; V429-L434 HydrophobicContact CG2-CD1 3.78Å
430	N	93.1	Very high	95.4	Very high	85 Å²	85	41.2 Å²	41.2	46%	0.455	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	41.2	-177.7	-63.8	13.9	0	0	0	113	M99 S102 Q432	M99-N430 WeakPolarHBondContact CA-ND2 3.4Å; M99-N430 HydrophobicContact CG-CB 4.45Å; M99-N430 PolarHBondContact N-ND2 3.35Å; S102-N430 PolarHBondContact OG-OD1 3Å; N430-Q432 VanDerWaalsContact C-N 3.26Å; N430-Q432 PolarHBondContact O-N 3.11Å
431	G	93.5	Very high	95.6	Very high	69 Å²	69	40.2 Å²	40.2	71%	0.711	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	-9.1	-179.6	0	0	0	0	0	115.6	V429	V429-G431 PolarHBondContact O-N 3.25Å; V429-G431 VanDerWaalsContact O-N 3.16Å
432	Q	97.1	Very high	95.7	Very high	38 Å²	38	40 Å²	40	18%	0.178	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.9	175.9	178.9	62	58.4	0	0	111.4	C46 I48 V81 M99 V428 V429 N430 L434	C46-Q432 PolarHBondContact O-NE2 2.79Å; I48-Q432 VanDerWaalsContact CG1-NE2 3.31Å; V81-Q432 HydrophobicContact CG1-CG 3.87Å; M99-Q432 HydrophobicContact CE-CB 3.93Å; M99-Q432 HydrophobicContact CE-CG 4.19Å; V428-Q432 VanDerWaalsContact CA-O 3.32Å; V428-Q432 WeakPolarHBondContact CA-O 3.41Å; V429-Q432 PolarHBondContact N-O 3.14Å; V429-Q432 PolarHBondContact O-N 2.82Å; N430-Q432 VanDerWaalsContact C-N 3.26Å; N430-Q432 PolarHBondContact O-N 3.11Å; Q432-L434 HydrophobicContact CG-CD2 4.11Å
433	V	97.3	Very high	95.8	Very high	65 Å²	65	39 Å²	39	39%	0.394	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.9	171.4	-177.3	0	0	0	0	110	C46 V428	C46-V433 HydrophobicContact CB-CB 4.33Å; C46-V433 HydrophobicContact CB-CG1 4.39Å; V428-V433 HydrophobicContact CG2-CG2 4.21Å
434	L	97	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117	177	-62.3	-176.5	0	0	0	109.8	V92 M99 F111 I423 D426 C427 V429 Q432 L440	V92-L434 HydrophobicContact CB-CD2 4.42Å; V92-L434 HydrophobicContact CG1-CD2 3.81Å; V92-L434 HydrophobicContact CG2-CD2 4.45Å; M99-L434 HydrophobicContact CE-CD1 4.05Å; M99-L434 HydrophobicContact CE-CD2 3.97Å; M99-L434 HydrophobicContact CE-CG 4.26Å; F111-L434 HydrophobicContact CE1-CD1 4.18Å; F111-L434 HydrophobicContact CZ-CD1 4.04Å; I423-L434 HydrophobicContact CD1-CB 4.07Å; I423-L434 HydrophobicContact CG2-CB 4.29Å; D426-L434 WeakPolarHBondContact CA-O 3.44Å; C427-L434 PolarHBondContact N-O 3.24Å; C427-L434 VanDerWaalsContact N-O 3.12Å; C427-L434 PolarHBondContact O-N 3.38Å; V429-L434 HydrophobicContact CB-CD1 4.21Å; V429-L434 HydrophobicContact CG2-CD1 3.78Å; Q432-L434 HydrophobicContact CG-CD2 4.11Å; L434-L440 HydrophobicContact CD1-CD1 3.98Å
435	P	96.3	Very high	96.1	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.045	22%	0.216	C	C	.	.			trans	-81.9	140.5	-174.2	28.6	-30.9	0	0	0	112.9	V42 I423 D426 A438	V42-P435 HydrophobicContact CG1-CB 3.78Å; V42-P435 HydrophobicContact CG1-CG 3.71Å; I423-P435 VanDerWaalsContact CG2-O 3.29Å; I423-P435 WeakPolarHBondContact CG2-O 3.32Å; D426-P435 WeakPolarHBondContact OD1-CA 3.4Å; P435-A438 HydrophobicContact CG-CB 4.03Å; P435-A438 VanDerWaalsContact O-CB 3.23Å; P435-A438 WeakPolarHBondContact O-CB 3.27Å; P435-A438 PolarHBondContact O-N 3.45Å
436	K	95.8	Very high	96.3	Very high	139 Å²	139	33.5 Å²	33.5	60%	0.604	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	138.5	171.5	-179.5	175.1	-179.6	177.8	0	111.6	D424 D426 A438	D424-K436 WeakPolarHBondContact O-CE 3.38Å; D426-K436 WeakPolarHBondContact OD1-CB 3.38Å; D426-K436 PolarHBondContact OD1-N 3.03Å; K436-A438 PolarHBondContact O-N 2.89Å
437	G	93.3	Very high	96.4	Very high	34 Å²	34	28 Å²	28	35%	0.351	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-5.8	178.9	0	0	0	0	0	114	R89 I423	R89-G437 PolarHBondContact NH2-O 2.83Å; I423-G437 PolarHBondContact O-N 2.94Å
438	A	96.1	Very high	96.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.166	C	C	.	.			trans	-73.3	168.3	169.4	0	0	0	0	0	112.2	R89 P90 V92 I423 P435 K436	R89-A438 PolarHBondContact NH2-O 3.47Å; P90-A438 HydrophobicContact CB-CB 4.15Å; P90-A438 HydrophobicContact CG-CB 3.85Å; P90-A438 CarbonylContact O-C 3.48Å; P90-A438 VanDerWaalsContact O-CA 3.3Å; P90-A438 WeakPolarHBondContact O-CA 3.49Å; V92-A438 HydrophobicContact CG2-CB 4.33Å; I423-A438 HydrophobicContact CD1-CB 3.76Å; I423-A438 PolarHBondContact N-O 2.92Å; I423-A438 VanDerWaalsContact N-O 3.09Å; P435-A438 HydrophobicContact CG-CB 4.03Å; P435-A438 VanDerWaalsContact O-CB 3.23Å; P435-A438 WeakPolarHBondContact O-CB 3.27Å; P435-A438 PolarHBondContact O-N 3.45Å; K436-A438 PolarHBondContact O-N 2.89Å
439	T	96.6	Very high	96.6	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.9	168.4	-70.8	0	0	0	0	108.6	R89 P90 V91 V92 M115 A420 R421	R89-T439 PolarHBondContact NE-OG1 3.2Å; R89-T439 PolarHBondContact NH2-OG1 3.34Å; P90-T439 PolarHBondContact O-N 3.06Å; V91-T439 CarbonylContact C-O 3.23Å; V91-T439 VanDerWaalsContact CA-O 3.28Å; V91-T439 WeakPolarHBondContact CA-O 3.36Å; V91-T439 HydrophobicContact CG1-CG2 4.43Å; V92-T439 PolarHBondContact N-O 3.06Å; M115-T439 HydrophobicContact CB-CG2 4.21Å; M115-T439 HydrophobicContact CG-CG2 4.49Å; M115-T439 HydrophobicContact SD-CG2 4.1Å; A420-T439 HydrophobicContact CB-CG2 3.74Å; R421-T439 CarbonylContact O-C 3.59Å; R421-T439 WeakPolarHBondContact O-CA 3.46Å
440	L	97.6	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125	166.5	-173.6	150.3	0	0	0	108.6	V92 V94 V103 A420 R421 I423 L434 I442	V92-L440 CarbonylContact O-C 3.59Å; V92-L440 WeakPolarHBondContact O-CA 3.47Å; V94-L440 HydrophobicContact CG2-CD1 3.98Å; V94-L440 HydrophobicContact CG2-CD2 4.44Å; V94-L440 HydrophobicContact CG2-CG 3.98Å; V103-L440 HydrophobicContact CB-CD1 4.37Å; V103-L440 HydrophobicContact CG1-CD1 3.8Å; V103-L440 HydrophobicContact CG1-CD2 3.93Å; V103-L440 HydrophobicContact CG1-CG 4.49Å; V103-L440 HydrophobicContact CG2-CD1 3.72Å; A420-L440 CarbonylContact C-O 3.38Å; A420-L440 VanDerWaalsContact CA-O 3.29Å; A420-L440 WeakPolarHBondContact CA-O 3.43Å; R421-L440 HydrophobicContact CB-CB 4.37Å; R421-L440 PolarHBondContact N-O 3.39Å; R421-L440 PolarHBondContact O-N 3.35Å; I423-L440 HydrophobicContact CD1-CB 4.02Å; I423-L440 HydrophobicContact CG1-CB 4.09Å; L434-L440 HydrophobicContact CD1-CD1 3.98Å; L440-I442 HydrophobicContact CD2-CG1 3.86Å
441	E	97.9	Very high	96.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.3	178.7	-176.8	164.7	85.7	0	0	110.9	L71 Y84 V91 V92 V93 V94 R418 F419	L71-E441 WeakPolarHBondContact CD1-OE1 3.49Å; L71-E441 WeakPolarHBondContact CD2-OE1 3.5Å; Y84-E441 PolarHBondContact OH-OE1 2.92Å; Y84-E441 PolarHBondContact OH-OE2 3.05Å; V91-E441 HydrophobicContact CG1-CB 3.71Å; V92-E441 PolarHBondContact O-N 3.26Å; V93-E441 WeakPolarHBondContact CA-O 3.49Å; V93-E441 HydrophobicContact CG2-CB 4.35Å; V94-E441 PolarHBondContact N-O 2.97Å; R418-E441 IonicContact CZ-OE2 3.58Å; R418-E441 IonicContact NH1-OE2 3.45Å; R418-E441 PolarHBondContact NH1-OE2 3.29Å; F419-E441 CarbonylContact O-C 3.54Å; F419-E441 WeakPolarHBondContact O-CA 3.17Å
442	I	98	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	108.4	179.6	-55.8	158.2	0	0	0	106.7	L100 M104 R418 F419 L440 V444 L447 L479	L100-I442 HydrophobicContact CD1-CG2 4.2Å; L100-I442 HydrophobicContact CD2-CB 4.18Å; L100-I442 HydrophobicContact CD2-CG1 3.74Å; L100-I442 HydrophobicContact CD2-CG2 3.79Å; M104-I442 HydrophobicContact CE-CD1 3.92Å; M104-I442 HydrophobicContact CG-CD1 3.94Å; M104-I442 HydrophobicContact SD-CD1 3.67Å; M104-I442 HydrophobicContact SD-CG1 4.34Å; M104-I442 HydrophobicContact SD-CG2 4.33Å; R418-I442 WeakPolarHBondContact CA-O 3.45Å; F419-I442 HydrophobicContact CB-CB 4.26Å; F419-I442 HydrophobicContact CB-CD1 4.08Å; F419-I442 PolarHBondContact N-O 3.47Å; F419-I442 PolarHBondContact O-N 3.35Å; L440-I442 HydrophobicContact CD2-CG1 3.86Å; I442-V444 HydrophobicContact CG2-CG2 4.11Å; I442-V444 PolarHBondContact O-N 3.15Å; I442-V444 VanDerWaalsContact O-N 3.11Å; I442-L447 HydrophobicContact CG2-CD1 4.4Å; I442-L479 HydrophobicContact CG2-CD1 4.23Å
443	P	97.8	Very high	96.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.			trans	-88.7	70	-171.8	37.5	-35.7	0	0	0	111.1	L71 I75 V93 V94 A95 G445 F446 L447	L71-P443 HydrophobicContact CD2-CB 3.7Å; L71-P443 HydrophobicContact CG-CB 4.09Å; I75-P443 HydrophobicContact CD1-CB 3.61Å; I75-P443 HydrophobicContact CD1-CG 3.65Å; V93-P443 HydrophobicContact CG1-CB 4.01Å; V93-P443 HydrophobicContact CG1-CG 3.78Å; V94-P443 WeakPolarHBondContact O-CD 3.35Å; A95-P443 HydrophobicContact CB-CG 3.82Å; P443-G445 VanDerWaalsContact C-N 3.26Å; P443-G445 PolarHBondContact O-N 3.05Å; P443-F446 HydrophobicContact CB-CB 4.05Å; P443-F446 HydrophobicContact CG-CB 4.41Å; P443-F446 WeakPolarHBondContact O-CB 3.41Å; P443-F446 PolarHBondContact O-N 3.19Å; P443-L447 PolarHBondContact O-N 2.95Å
444	V	98.3	Very high	96.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-52.7	-43.2	-177.2	178.9	0	0	0	0	112.5	P414 F417 F419 I442 F446 L447 H448 L479	P414-V444 HydrophobicContact CB-CG1 4.42Å; F417-V444 WeakPolarHBondContact O-CB 3.47Å; F417-V444 PolarHBondContact O-N 3.17Å; F417-V444 VanDerWaalsContact O-N 3.1Å; F419-V444 HydrophobicContact CD2-CG2 3.56Å; F419-V444 HydrophobicContact CE2-CG2 3.54Å; I442-V444 HydrophobicContact CG2-CG2 4.11Å; I442-V444 PolarHBondContact O-N 3.15Å; I442-V444 VanDerWaalsContact O-N 3.11Å; V444-F446 VanDerWaalsContact C-N 3.27Å; V444-F446 PolarHBondContact O-N 3.2Å; V444-L447 PolarHBondContact O-N 2.94Å; V444-H448 VanDerWaalsContact CG1-CE1 3.42Å; V444-H448 WeakPolarHBondContact CG1-CE1 3.1Å; V444-H448 WeakPolarHBondContact CG1-NE2 3.45Å; V444-H448 WeakPolarHBondContact O-CB 3.32Å; V444-H448 PolarHBondContact O-CD2 3.48Å; V444-H448 VanDerWaalsContact O-CG 3.24Å; V444-H448 PolarHBondContact O-N 3.19Å; V444-L479 HydrophobicContact CG1-CB 4.16Å; V444-L479 WeakPolarHBondContact CG1-O 3.26Å; V444-L479 HydrophobicContact CG2-CB 3.98Å
445	G	97.2	Very high	96.8	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-35.6	177.2	0	0	0	0	0	113.7	F417 P443 Y449	F417-G445 PolarHBondContact O-N 3.43Å; P443-G445 VanDerWaalsContact C-N 3.26Å; P443-G445 PolarHBondContact O-N 3.05Å; G445-Y449 VanDerWaalsContact O-CD2 3.27Å; G445-Y449 WeakPolarHBondContact O-CD2 3.38Å
446	F	97.8	Very high	96.8	Very high	19 Å²	19	35.1 Å²	35.1	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-71.5	-49	173.1	171.3	-91.6	0	0	0	111	T72 I75 K76 A95 P443 V444 H448 Y449 D450	T72-F446 HydrophobicContact CG2-CD2 4.01Å; I75-F446 HydrophobicContact CB-CD2 4.12Å; I75-F446 HydrophobicContact CB-CE2 4.06Å; I75-F446 HydrophobicContact CB-CG 4.47Å; I75-F446 HydrophobicContact CB-CZ 4.38Å; I75-F446 HydrophobicContact CD1-CB 3.66Å; I75-F446 HydrophobicContact CD1-CD1 3.9Å; I75-F446 HydrophobicContact CD1-CD2 3.92Å; I75-F446 HydrophobicContact CD1-CG 3.53Å; I75-F446 HydrophobicContact CG2-CD1 4.15Å; I75-F446 HydrophobicContact CG2-CD2 4.09Å; I75-F446 HydrophobicContact CG2-CE1 3.76Å; I75-F446 HydrophobicContact CG2-CE2 3.68Å; I75-F446 HydrophobicContact CG2-CG 4.32Å; I75-F446 HydrophobicContact CG2-CZ 3.51Å; K76-F446 HydrophobicContact CG-CE2 4.44Å; A95-F446 HydrophobicContact CB-CD1 3.73Å; A95-F446 HydrophobicContact CB-CE1 3.75Å; P443-F446 HydrophobicContact CB-CB 4.05Å; P443-F446 HydrophobicContact CG-CB 4.41Å; P443-F446 WeakPolarHBondContact O-CB 3.41Å; P443-F446 PolarHBondContact O-N 3.19Å; V444-F446 VanDerWaalsContact C-N 3.27Å; V444-F446 PolarHBondContact O-N 3.2Å; F446-H448 PolarHBondContact O-N 2.92Å; F446-H448 VanDerWaalsContact O-N 3.16Å; F446-Y449 CarbonylContact O-C 3.56Å; F446-Y449 PolarHBondContact O-N 3.24Å; F446-D450 HydrophobicContact CE1-CB 4.36Å; F446-D450 PolarHBondContact O-N 3.27Å
447	L	98.3	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57	-34.1	-178.2	-67.2	166.7	0	0	0	112.2	A95 L100 I442 P443 V444 Y449 W454 L479	A95-L447 HydrophobicContact CB-CD2 4.42Å; L100-L447 HydrophobicContact CD1-CD1 3.47Å; L100-L447 VanDerWaalsContact CD1-CD1 3.47Å; L100-L447 HydrophobicContact CD1-CD2 4.21Å; L100-L447 HydrophobicContact CD1-CG 4.46Å; I442-L447 HydrophobicContact CG2-CD1 4.4Å; P443-L447 PolarHBondContact O-N 2.95Å; V444-L447 PolarHBondContact O-N 2.94Å; L447-Y449 VanDerWaalsContact C-N 3.28Å; L447-Y449 PolarHBondContact O-N 3.16Å; L447-W454 PolarHBondContact O-NE1 3.44Å; L447-L479 HydrophobicContact CD1-CD1 4.08Å
448	H	98.3	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.7	178.2	-75	-170.5	0	0	0	114.3	L410 R411 V444 F446 V477 Y478 L479	L410-H448 PolarHBondContact O-ND1 3.31Å; R411-H448 HydrophobicContact CG-CB 3.86Å; R411-H448 WeakPolarHBondContact CG-O 3.34Å; R411-H448 PolarHBondContact NH1-O 3.03Å; R411-H448 WeakPolarHBondContact O-CB 3.4Å; R411-H448 PolarHBondContact O-ND1 2.94Å; V444-H448 VanDerWaalsContact CG1-CE1 3.42Å; V444-H448 WeakPolarHBondContact CG1-CE1 3.1Å; V444-H448 WeakPolarHBondContact CG1-NE2 3.45Å; V444-H448 WeakPolarHBondContact O-CB 3.32Å; V444-H448 PolarHBondContact O-CD2 3.48Å; V444-H448 VanDerWaalsContact O-CG 3.24Å; V444-H448 PolarHBondContact O-N 3.19Å; F446-H448 PolarHBondContact O-N 2.92Å; F446-H448 VanDerWaalsContact O-N 3.16Å; H448-V477 PolarHBondContact CD2-O 3.4Å; H448-V477 VanDerWaalsContact CD2-O 3.28Å; H448-Y478 AromaticContact NE2-CD2 3.57Å; H448-L479 PolarHBondContact NE2-N 3.5Å
449	Y	97.5	Very high	97.1	Very high	44 Å²	44	40.6 Å²	40.6	17%	0.173	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	7	178.8	-77.5	-103.2	0	0	0	112.8	F68 L412 G445 F446 L447 P451 P457 D458	F68-Y449 HydrophobicContact CZ-CD2 4.48Å; F68-Y449 AromaticContact CZ-CE2 3.91Å; F68-Y449 HydrophobicContact CZ-CE2 3.91Å; L412-Y449 WeakPolarHBondContact CA-OH 3.28Å; L412-Y449 HydrophobicContact CD2-CE1 3.77Å; L412-Y449 HydrophobicContact CD2-CE2 4.42Å; L412-Y449 WeakPolarHBondContact CD2-OH 3.26Å; L412-Y449 WeakPolarHBondContact O-CE2 3.12Å; L412-Y449 PolarHBondContact O-OH 3.45Å; G445-Y449 VanDerWaalsContact O-CD2 3.27Å; G445-Y449 WeakPolarHBondContact O-CD2 3.38Å; F446-Y449 CarbonylContact O-C 3.56Å; F446-Y449 PolarHBondContact O-N 3.24Å; L447-Y449 VanDerWaalsContact C-N 3.28Å; L447-Y449 PolarHBondContact O-N 3.16Å; Y449-P451 VanDerWaalsContact O-CD 3.31Å; Y449-P451 WeakPolarHBondContact O-CD 3.3Å; Y449-P457 VanDerWaalsContact O-CB 3.25Å; Y449-P457 WeakPolarHBondContact O-CB 3.48Å; Y449-D458 WeakPolarHBondContact CD1-OD1 3.38Å
450	D	97.1	Very high	97.2	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	21%	0.212	C	C	.	.			trans	-67.6	112.6	-175.8	-170.5	-9	0	0	0	111.2	R80 F446 D452 H453 W454	R80-D450 IonicContact CZ-OD2 3.16Å; R80-D450 IonicContact NH1-OD2 2.68Å; R80-D450 PolarHBondContact NH1-OD2 3.37Å; R80-D450 VanDerWaalsContact NH2-CG 3.31Å; R80-D450 IonicContact NH2-OD1 3.44Å; R80-D450 PolarHBondContact NH2-OD1 2.98Å; R80-D450 IonicContact NH2-OD2 3.45Å; R80-D450 PolarHBondContact NH2-OD2 3.04Å; F446-D450 HydrophobicContact CE1-CB 4.36Å; F446-D450 PolarHBondContact O-N 3.27Å; D450-D452 PolarHBondContact O-N 3.33Å; D450-D452 VanDerWaalsContact O-N 3.12Å; D450-D452 PolarHBondContact OD1-N 2.88Å; D450-H453 PolarHBondContact O-N 2.77Å; D450-H453 IonicContact OD2-CD2 3.53Å; D450-H453 PolarHBondContact OD2-CD2 3.31Å; D450-W454 VanDerWaalsContact O-CD1 3.24Å; D450-W454 PolarHBondContact O-N 3.23Å
451	P	95.9	Very high	97.3	Very high	91 Å²	91	43.3 Å²	43.3	59%	0.591	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.2	-175.4	27.7	-35.6	0	0	0	113.2	Y449 H453 P457	Y449-P451 VanDerWaalsContact O-CD 3.31Å; Y449-P451 WeakPolarHBondContact O-CD 3.3Å; P451-H453 PolarHBondContact O-N 3.27Å; P451-P457 HydrophobicContact CB-CG 4.43Å
452	D	95	Very high	97.3	Very high	118 Å²	118	43.3 Å²	43.3	63%	0.631	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.1	174.8	-67.3	-8.9	0	0	0	112.2	R80 D450	R80-D452 IonicContact CZ-OD2 2.86Å; R80-D452 IonicContact NE-OD2 3.39Å; R80-D452 IonicContact NH2-OD2 2.72Å; R80-D452 PolarHBondContact NH2-OD2 2.98Å; D450-D452 PolarHBondContact O-N 3.33Å; D450-D452 VanDerWaalsContact O-N 3.12Å; D450-D452 PolarHBondContact OD1-N 2.88Å
453	H	95.4	Very high	97.3	Very high	67 Å²	67	46.6 Å²	46.6	31%	0.31	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-14.1	-177.6	-61.4	-53.8	0	0	0	113.9	D450 P451 V477	D450-H453 PolarHBondContact O-N 2.77Å; D450-H453 IonicContact OD2-CD2 3.53Å; D450-H453 PolarHBondContact OD2-CD2 3.31Å; P451-H453 PolarHBondContact O-N 3.27Å; H453-V477 HydrophobicContact CB-CB 4.26Å; H453-V477 HydrophobicContact CB-CG1 4.23Å; H453-V477 HydrophobicContact CB-CG2 4.21Å; H453-V477 VanDerWaalsContact CD2-CG1 3.49Å; H453-V477 WeakPolarHBondContact CD2-CG1 3.3Å
454	W	96.9	Very high	97.3	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.015	24%	0.24	C	C	.	.	S	Bend	trans	-134.5	105.2	-175.2	-55.1	101.1	0	0	0	111	R411 L447 D450 E456 P457 R464 F465 V477 Y478	R411-W454 VanDerWaalsContact CD-CE3 3.44Å; R411-W454 HydrophobicContact CG-CH2 3.93Å; R411-W454 HydrophobicContact CG-CZ2 4.03Å; R411-W454 HydrophobicContact CG-CZ3 4.28Å; L447-W454 PolarHBondContact O-NE1 3.44Å; D450-W454 VanDerWaalsContact O-CD1 3.24Å; D450-W454 PolarHBondContact O-N 3.23Å; W454-E456 PolarHBondContact O-N 3.13Å; W454-P457 HydrophobicContact CB-CB 4.07Å; W454-P457 VanDerWaalsContact O-CD 3.31Å; W454-P457 WeakPolarHBondContact O-CD 3.34Å; W454-R464 HydrophobicContact CZ3-CB 4.48Å; W454-F465 AromaticContact CH2-CZ 3.96Å; W454-F465 HydrophobicContact CH2-CZ 3.96Å; W454-F465 HydrophobicContact CZ3-CZ 4.21Å; W454-V477 HydrophobicContact CZ2-CG2 4.04Å; W454-Y478 HydrophobicContact CH2-CD2 4.01Å; W454-Y478 HydrophobicContact CH2-CG 4.3Å; W454-Y478 HydrophobicContact CZ2-CD2 4.25Å
455	T	95.6	Very high	97.3	Very high	115 Å²	115	47.8 Å²	47.8	71%	0.706	24%	0.241	S	C	*	.	S	Bend	trans	-64.4	125.4	174.2	-50.5	0	0	0	0	110.7	R464	T455-R464 VanDerWaalsContact O-CZ 3.25Å; T455-R464 PolarHBondContact O-NH2 3.39Å
456	E	97.2	Very high	97.3	Very high	98 Å²	98	49.5 Å²	49.5	46%	0.458	25%	0.251	S	S	.	.	S	Bend	trans	56.2	58.4	-174.7	-60.8	174.5	83.7	0	0	112.6	W454 D458 R459 R464	W454-E456 PolarHBondContact O-N 3.13Å; E456-D458 PolarHBondContact O-N 3.34Å; E456-R459 HydrophobicContact CB-CB 4.36Å; E456-R459 HydrophobicContact CB-CG 4.18Å; E456-R459 PolarHBondContact O-N 3.39Å; E456-R459 WeakPolarHBondContact OE1-CD 3.29Å; E456-R459 IonicContact OE1-CZ 3.28Å; E456-R459 IonicContact OE1-NE 2.59Å; E456-R459 IonicContact OE1-NH1 3.69Å; E456-R459 PolarHBondContact OE1-NH1 3.38Å; E456-R459 IonicContact OE2-NH1 3.4Å; E456-R464 PolarHBondContact O-NH2 3.06Å
457	P	97.4	Very high	97.1	Very high	20 Å²	20	53 Å²	53	13%	0.13	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.4	-164	23.5	-33	0	0	0	114.3	R411 Y449 P451 W454	R411-P457 PolarHBondContact NH1-O 3.48Å; R411-P457 PolarHBondContact NH2-O 2.96Å; Y449-P457 VanDerWaalsContact O-CB 3.25Å; Y449-P457 WeakPolarHBondContact O-CB 3.48Å; P451-P457 HydrophobicContact CB-CG 4.43Å; W454-P457 HydrophobicContact CB-CB 4.07Å; W454-P457 VanDerWaalsContact O-CD 3.31Å; W454-P457 WeakPolarHBondContact O-CD 3.34Å
458	D	96.4	Very high	97	Very high	124 Å²	124	59 Å²	59	66%	0.663	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-14	-179.5	-55.7	-74.4	0	0	0	114.2	Y449 E456	Y449-D458 WeakPolarHBondContact CD1-OD1 3.38Å; E456-D458 PolarHBondContact O-N 3.34Å
459	R	97.7	Very high	96.8	Very high	144 Å²	144	60.2 Å²	60.2	54%	0.543	31%	0.313	S	S	.	.	S	Bend	trans	-81.4	145	179.2	-68	-174.4	71.9	-174.4	-1.5	111.6	E408 R411 E456 I461	E408-R459 VanDerWaalsContact OE1-O 3.05Å; R411-R459 PolarHBondContact NH2-O 3.47Å; E456-R459 HydrophobicContact CB-CB 4.36Å; E456-R459 HydrophobicContact CB-CG 4.18Å; E456-R459 PolarHBondContact O-N 3.39Å; E456-R459 WeakPolarHBondContact OE1-CD 3.29Å; E456-R459 IonicContact OE1-CZ 3.28Å; E456-R459 IonicContact OE1-NE 2.59Å; E456-R459 IonicContact OE1-NH1 3.69Å; E456-R459 PolarHBondContact OE1-NH1 3.38Å; E456-R459 IonicContact OE2-NH1 3.4Å; R459-I461 HydrophobicContact CB-CD1 4.02Å; R459-I461 HydrophobicContact CB-CG1 3.92Å; R459-I461 PolarHBondContact O-N 3.31Å
460	F	98.5	Very high	96.6	Very high	20 Å²	20	62 Å²	62	9%	0.088	32%	0.322	C	S	.	.			trans	-82.9	102.5	172	-176.9	-112	0	0	0	109.9	L366 L367 N370 C373 V405 E408 L412 P462	L366-F460 HydrophobicContact CB-CD2 4.13Å; L366-F460 HydrophobicContact CB-CE1 4.4Å; L366-F460 HydrophobicContact CB-CE2 4.03Å; L366-F460 HydrophobicContact CB-CG 4.39Å; L366-F460 HydrophobicContact CB-CZ 4.17Å; L366-F460 HydrophobicContact CD1-CD2 3.75Å; L366-F460 HydrophobicContact CD1-CE2 3.74Å; L366-F460 HydrophobicContact CD2-CB 4.16Å; L366-F460 HydrophobicContact CD2-CD2 3.9Å; L366-F460 HydrophobicContact CD2-CG 4.07Å; L366-F460 HydrophobicContact CG-CD2 4.15Å; L366-F460 HydrophobicContact CG-CE2 4.33Å; L367-F460 HydrophobicContact CD2-CE1 4.4Å; N370-F460 HydrophobicContact CB-CD1 4.17Å; N370-F460 WeakPolarHBondContact ND2-CD1 3.5Å; C373-F460 HydrophobicContact CB-CE1 4.08Å; V405-F460 HydrophobicContact CB-CZ 4.4Å; V405-F460 HydrophobicContact CG1-CZ 4.12Å; V405-F460 HydrophobicContact CG2-CZ 4.23Å; E408-F460 HydrophobicContact CB-CD2 4.13Å; E408-F460 HydrophobicContact CB-CE2 3.72Å; E408-F460 HydrophobicContact CG-CD2 3.34Å; E408-F460 HydrophobicContact CG-CE2 3.47Å; E408-F460 VanDerWaalsContact CG-CE2 3.47Å; E408-F460 HydrophobicContact CG-CG 4.21Å; E408-F460 HydrophobicContact CG-CZ 4.44Å; L412-F460 HydrophobicContact CD1-CB 3.95Å; L412-F460 HydrophobicContact CD1-CD2 3.79Å; L412-F460 HydrophobicContact CD1-CG 4.37Å; F460-P462 HydrophobicContact CD1-CG 4.31Å; F460-P462 HydrophobicContact CE1-CG 3.74Å; F460-P462 HydrophobicContact CZ-CG 3.89Å
461	I	98.5	Very high	96.3	Very high	39 Å²	39	69.9 Å²	69.9	20%	0.2	36%	0.359	C	S	.	.			trans	-129	90.9	-177.5	-50.9	-177.7	0	0	0	109.6	E408 R459 E463 R464	E408-I461 PolarHBondContact OE1-N 3.46Å; R459-I461 HydrophobicContact CB-CD1 4.02Å; R459-I461 HydrophobicContact CB-CG1 3.92Å; R459-I461 PolarHBondContact O-N 3.31Å; I461-E463 HydrophobicContact CG2-CB 4.28Å; I461-E463 PolarHBondContact O-N 3.09Å; I461-R464 HydrophobicContact CB-CG 4.21Å; I461-R464 HydrophobicContact CG2-CG 4.26Å; I461-R464 WeakPolarHBondContact O-CB 3.47Å; I461-R464 WeakPolarHBondContact O-CG 3.38Å; I461-R464 PolarHBondContact O-N 2.88Å
462	P	98.6	Very high	96.2	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.006	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-54.5	-33.8	179.9	-29.1	37.8	0	0	0	114.2	Y401 M404 V405 F460 R464 F465	Y401-P462 HydrophobicContact CE2-CB 3.94Å; M404-P462 HydrophobicContact CB-CB 4Å; M404-P462 WeakPolarHBondContact CB-O 3.43Å; V405-P462 HydrophobicContact CG2-CB 3.97Å; V405-P462 HydrophobicContact CG2-CG 3.71Å; F460-P462 HydrophobicContact CD1-CG 4.31Å; F460-P462 HydrophobicContact CE1-CG 3.74Å; F460-P462 HydrophobicContact CZ-CG 3.89Å; P462-R464 PolarHBondContact O-N 3.34Å; P462-F465 PolarHBondContact O-N 2.96Å
463	E	97.9	Very high	96.1	Very high	68 Å²	68	66.5 Å²	66.5	32%	0.318	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-59	-15.7	-178.2	-72.5	69	-156	0	0	114.2	R376 Y401 I461 F465 T466	R376-E463 IonicContact CZ-OE1 3.57Å; R376-E463 IonicContact NH1-OE1 2.67Å; R376-E463 PolarHBondContact NH1-OE1 3.01Å; R376-E463 IonicContact NH2-OE1 3.69Å; R376-E463 PolarHBondContact NH2-OE1 3.41Å; Y401-E463 WeakPolarHBondContact CE2-OE1 3.32Å; I461-E463 HydrophobicContact CG2-CB 4.28Å; I461-E463 PolarHBondContact O-N 3.09Å; E463-F465 PolarHBondContact O-N 2.89Å; E463-F465 VanDerWaalsContact O-N 3.1Å; E463-T466 WeakPolarHBondContact O-CG2 3.49Å; E463-T466 PolarHBondContact O-N 3.22Å; E463-T466 PolarHBondContact O-OG1 3.4Å
464	R	97.1	Very high	96	Very high	23 Å²	23	65.8 Å²	65.8	9%	0.087	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-60.2	-16.4	169.3	-67.3	179.6	-179.6	173	20.2	112.5	E408 W454 T455 E456 I461 P462 A469 R473	E408-R464 IonicContact OE1-NH1 2.65Å; W454-R464 HydrophobicContact CZ3-CB 4.48Å; T455-R464 VanDerWaalsContact O-CZ 3.25Å; T455-R464 PolarHBondContact O-NH2 3.39Å; E456-R464 PolarHBondContact O-NH2 3.06Å; I461-R464 HydrophobicContact CB-CG 4.21Å; I461-R464 HydrophobicContact CG2-CG 4.26Å; I461-R464 WeakPolarHBondContact O-CB 3.47Å; I461-R464 WeakPolarHBondContact O-CG 3.38Å; I461-R464 PolarHBondContact O-N 2.88Å; P462-R464 PolarHBondContact O-N 3.34Å; R464-A469 WeakPolarHBondContact O-CB 3.4Å; R464-R473 PolarHBondContact O-NH2 2.92Å
465	F	98	Very high	95.8	Very high	2 Å²	2	69 Å²	69	1%	0.009	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-108.7	19.8	-178.5	-69.8	-79.2	0	0	0	113.6	M404 C407 E408 R411 W454 P462 E463 K470 R473 Y478	M404-F465 HydrophobicContact CB-CB 4.18Å; M404-F465 HydrophobicContact CG-CB 3.87Å; C407-F465 HydrophobicContact CB-CB 4.02Å; C407-F465 HydrophobicContact CB-CD1 3.5Å; C407-F465 HydrophobicContact CB-CD2 3.64Å; C407-F465 HydrophobicContact CB-CE1 3.78Å; C407-F465 HydrophobicContact CB-CE2 3.91Å; C407-F465 HydrophobicContact CB-CG 3.41Å; C407-F465 VanDerWaalsContact CB-CG 3.41Å; C407-F465 HydrophobicContact CB-CZ 3.97Å; E408-F465 HydrophobicContact CB-CD2 4.02Å; E408-F465 HydrophobicContact CB-CE2 3.97Å; E408-F465 VanDerWaalsContact OE2-CE2 3.27Å; E408-F465 WeakPolarHBondContact OE2-CE2 3.34Å; R411-F465 HydrophobicContact CB-CE2 4.35Å; R411-F465 HydrophobicContact CB-CZ 4.19Å; W454-F465 AromaticContact CH2-CZ 3.96Å; W454-F465 HydrophobicContact CH2-CZ 3.96Å; W454-F465 HydrophobicContact CZ3-CZ 4.21Å; P462-F465 PolarHBondContact O-N 2.96Å; E463-F465 PolarHBondContact O-N 2.89Å; E463-F465 VanDerWaalsContact O-N 3.1Å; F465-K470 HydrophobicContact CD1-CG 4.22Å; F465-K470 WeakPolarHBondContact O-CE 3.47Å; F465-K470 PolarHBondContact O-NZ 2.84Å; F465-R473 VanDerWaalsContact CE1-NH1 3.33Å; F465-Y478 HydrophobicContact CD1-CE1 4.48Å; F465-Y478 AromaticContact CE1-CD1 3.81Å; F465-Y478 HydrophobicContact CE1-CD1 3.81Å; F465-Y478 AromaticContact CE1-CD2 3.92Å; F465-Y478 HydrophobicContact CE1-CD2 3.92Å; F465-Y478 AromaticContact CE1-CE1 3.57Å; F465-Y478 HydrophobicContact CE1-CE1 3.57Å; F465-Y478 AromaticContact CE1-CE2 3.72Å; F465-Y478 HydrophobicContact CE1-CE2 3.72Å; F465-Y478 AromaticContact CE1-CG 3.96Å; F465-Y478 HydrophobicContact CE1-CG 3.96Å; F465-Y478 AromaticContact CE1-CZ 3.51Å; F465-Y478 HydrophobicContact CZ-CD1 4.44Å; F465-Y478 AromaticContact CZ-CD2 3.72Å; F465-Y478 HydrophobicContact CZ-CD2 3.72Å; F465-Y478 HydrophobicContact CZ-CE1 4.18Å; F465-Y478 AromaticContact CZ-CE2 3.43Å; F465-Y478 HydrophobicContact CZ-CE2 3.43Å; F465-Y478 VanDerWaalsContact CZ-CE2 3.43Å; F465-Y478 HydrophobicContact CZ-CG 4.21Å; F465-Y478 AromaticContact CZ-CZ 3.65Å
466	T	97.3	Very high	95.8	Very high	39 Å²	39	64 Å²	64	24%	0.239	33%	0.328	C	S	.	.	S	Bend	trans	-57.5	152	160.2	50.7	0	0	0	0	110.8	M404 E463 E468 A469 K470	M404-T466 HydrophobicContact SD-CG2 3.89Å; E463-T466 WeakPolarHBondContact O-CG2 3.49Å; E463-T466 PolarHBondContact O-N 3.22Å; E463-T466 PolarHBondContact O-OG1 3.4Å; T466-E468 VanDerWaalsContact C-N 3.27Å; T466-E468 PolarHBondContact O-N 3.37Å; T466-A469 PolarHBondContact O-N 2.71Å; T466-A469 WeakPolarHBondContact OG1-CB 3.32Å; T466-A469 PolarHBondContact OG1-N 3.39Å; T466-K470 WeakPolarHBondContact O-CG 3.45Å; T466-K470 PolarHBondContact O-N 2.79Å
467	P	94.6	Very high	95.7	Very high	92 Å²	92	59.4 Å²	59.4	60%	0.597	31%	0.306	S	S	*	.	H	α-helix	trans	-51.6	-45.4	177.8	-27.3	35.9	0	0	0	113.1	A469 K470 E471	P467-A469 PolarHBondContact O-N 2.78Å; P467-K470 WeakPolarHBondContact O-CB 3.5Å; P467-K470 PolarHBondContact O-N 2.81Å; P467-E471 PolarHBondContact O-N 3.41Å
468	E	95.2	Very high	95.8	Very high	127 Å²	127	60.7 Å²	60.7	59%	0.593	31%	0.309	S	S	*	.	H	α-helix	trans	-67.2	-40	-177.3	-57.6	73.4	-159.5	0	0	111.6	T466 K470 E471 S472	T466-E468 VanDerWaalsContact C-N 3.27Å; T466-E468 PolarHBondContact O-N 3.37Å; E468-K470 VanDerWaalsContact C-N 3.33Å; E468-E471 PolarHBondContact O-N 2.73Å; E468-S472 PolarHBondContact O-N 3.38Å; E468-S472 VanDerWaalsContact O-N 3.13Å; E468-S472 PolarHBondContact O-OG 3.42Å
469	A	94.3	Very high	95.8	Very high	25 Å²	25	55 Å²	55	21%	0.207	28%	0.278	C	S	.	.	H	α-helix	trans	-72.2	-26.2	176.5	0	0	0	0	0	113	R464 T466 P467 S472 R473	R464-A469 WeakPolarHBondContact O-CB 3.4Å; T466-A469 PolarHBondContact O-N 2.71Å; T466-A469 WeakPolarHBondContact OG1-CB 3.32Å; T466-A469 PolarHBondContact OG1-N 3.39Å; P467-A469 PolarHBondContact O-N 2.78Å; A469-S472 PolarHBondContact O-OG 3.22Å; A469-R473 PolarHBondContact O-NH2 3.27Å
470	K	93.1	Very high	95.8	Very high	81 Å²	81	48.9 Å²	48.9	35%	0.352	26%	0.257	S	S	.	.	H	α-helix	trans	-72.4	-45.6	172.7	-74.9	171.8	174	164.3	0	110.7	D403 F465 T466 P467 E468 R473	D403-K470 IonicContact OD2-NZ 3.14Å; D403-K470 PolarHBondContact OD2-NZ 3.44Å; F465-K470 HydrophobicContact CD1-CG 4.22Å; F465-K470 WeakPolarHBondContact O-CE 3.47Å; F465-K470 PolarHBondContact O-NZ 2.84Å; T466-K470 WeakPolarHBondContact O-CG 3.45Å; T466-K470 PolarHBondContact O-N 2.79Å; P467-K470 WeakPolarHBondContact O-CB 3.5Å; P467-K470 PolarHBondContact O-N 2.81Å; E468-K470 VanDerWaalsContact C-N 3.33Å; K470-R473 PolarHBondContact O-N 3.13Å
471	E	92.4	Very high	95.7	Very high	169 Å²	169	49.5 Å²	49.5	79%	0.79	26%	0.259	S	S	*	.	H	α-helix	trans	-65.5	-41	-177.9	-173.9	177.2	-173.9	0	0	112.7	P467 E468 R473	P467-E471 PolarHBondContact O-N 3.41Å; E468-E471 PolarHBondContact O-N 2.73Å; E471-R473 PolarHBondContact O-N 3.19Å
472	S	92.2	Very high	95.6	Very high	100 Å²	100	48.5 Å²	48.5	70%	0.699	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.1	178.6	53.6	0	0	0	0	114.6	E468 A469	E468-S472 PolarHBondContact O-N 3.38Å; E468-S472 VanDerWaalsContact O-N 3.13Å; E468-S472 PolarHBondContact O-OG 3.42Å; A469-S472 PolarHBondContact O-OG 3.22Å
473	R	93.3	Very high	95.4	Very high	39 Å²	39	49.2 Å²	49.2	15%	0.147	27%	0.265	C	S	.	.	S	Bend	trans	-93.4	140.7	-175	-173.5	-176.5	-57.3	143.8	12.7	111.5	R464 F465 A469 K470 E471 V477	R464-R473 PolarHBondContact O-NH2 2.92Å; F465-R473 VanDerWaalsContact CE1-NH1 3.33Å; A469-R473 PolarHBondContact O-NH2 3.27Å; K470-R473 PolarHBondContact O-N 3.13Å; E471-R473 PolarHBondContact O-N 3.19Å; R473-V477 HydrophobicContact CG-CG2 3.33Å
474	H	94.4	Very high	95.3	Very high	51 Å²	51	46.9 Å²	46.9	24%	0.236	26%	0.259	C	S	.	.			trans	-59.8	128.2	172.9	-173.1	-77.6	0	0	0	111.5	P97 D98 F476 V477	P97-H474 WeakPolarHBondContact CB-CE1 3.45Å; P97-H474 WeakPolarHBondContact CB-ND1 3.43Å; D98-H474 IonicContact OD1-NE2 2.8Å; D98-H474 PolarHBondContact OD1-NE2 2.85Å; H474-F476 AromaticContact CE1-CD2 3.95Å; H474-F476 PolarHBondContact ND1-N 3.34Å; H474-F476 VanDerWaalsContact ND1-N 3.19Å; H474-F476 PolarHBondContact O-N 3.19Å; H474-V477 HydrophobicContact CB-CG1 3.88Å; H474-V477 VanDerWaalsContact O-CG2 3.27Å; H474-V477 WeakPolarHBondContact O-CG2 3.42Å; H474-V477 PolarHBondContact O-N 3.38Å; H474-V477 VanDerWaalsContact O-N 3.16Å
475	P	91.1	Very high	95.2	Very high	73 Å²	73	46.5 Å²	46.5	47%	0.474	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.9	-168.1	21.3	-32.1	0	0	0	114.9
476	F	96	Very high	95	Very high	10 Å²	10	46.6 Å²	46.6	4%	0.044	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	12.4	179.4	-73.5	-95.7	0	0	0	114.9	P97 L100 R101 M104 V105 H474 L479 A483	P97-F476 HydrophobicContact CB-CB 4.11Å; P97-F476 WeakPolarHBondContact O-CB 3.21Å; L100-F476 HydrophobicContact CB-CB 4.22Å; L100-F476 HydrophobicContact CB-CD1 3.91Å; L100-F476 HydrophobicContact CB-CG 4.32Å; R101-F476 HydrophobicContact CB-CD2 3.58Å; R101-F476 HydrophobicContact CB-CE1 4.48Å; R101-F476 HydrophobicContact CB-CE2 3.54Å; R101-F476 HydrophobicContact CB-CG 4.12Å; R101-F476 HydrophobicContact CB-CZ 4.03Å; R101-F476 HydrophobicContact CG-CD2 4.01Å; R101-F476 HydrophobicContact CG-CE2 3.53Å; R101-F476 HydrophobicContact CG-CZ 4.09Å; M104-F476 HydrophobicContact CB-CE1 3.84Å; M104-F476 HydrophobicContact CG-CE1 4.36Å; M104-F476 HydrophobicContact SD-CD1 3.92Å; M104-F476 HydrophobicContact SD-CE1 3.87Å; V105-F476 HydrophobicContact CB-CZ 4.5Å; V105-F476 HydrophobicContact CG2-CE1 4.37Å; V105-F476 HydrophobicContact CG2-CZ 3.69Å; H474-F476 AromaticContact CE1-CD2 3.95Å; H474-F476 PolarHBondContact ND1-N 3.34Å; H474-F476 VanDerWaalsContact ND1-N 3.19Å; H474-F476 PolarHBondContact O-N 3.19Å; F476-L479 HydrophobicContact CD1-CD1 4.26Å; F476-L479 HydrophobicContact CD1-CD2 4.23Å; F476-L479 WeakPolarHBondContact O-CD1 3.39Å; F476-A483 HydrophobicContact CD1-CB 4.41Å; F476-A483 HydrophobicContact CE1-CB 3.68Å; F476-A483 HydrophobicContact CZ-CB 4.12Å
477	V	96.3	Very high	94.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-99.3	-17.1	175.6	-45.3	0	0	0	0	112.5	P97 H448 H453 W454 R473 H474	P97-V477 HydrophobicContact CB-CG1 4.13Å; P97-V477 HydrophobicContact CG-CG1 3.79Å; H448-V477 PolarHBondContact CD2-O 3.4Å; H448-V477 VanDerWaalsContact CD2-O 3.28Å; H453-V477 HydrophobicContact CB-CB 4.26Å; H453-V477 HydrophobicContact CB-CG1 4.23Å; H453-V477 HydrophobicContact CB-CG2 4.21Å; H453-V477 VanDerWaalsContact CD2-CG1 3.49Å; H453-V477 WeakPolarHBondContact CD2-CG1 3.3Å; W454-V477 HydrophobicContact CZ2-CG2 4.04Å; R473-V477 HydrophobicContact CG-CG2 3.33Å; H474-V477 HydrophobicContact CB-CG1 3.88Å; H474-V477 VanDerWaalsContact O-CG2 3.27Å; H474-V477 WeakPolarHBondContact O-CG2 3.42Å; H474-V477 PolarHBondContact O-N 3.38Å; H474-V477 VanDerWaalsContact O-N 3.16Å
478	Y	98	Very high	95	Very high	48 Å²	48	44.2 Å²	44.2	19%	0.188	24%	0.244	C	C	.	.			trans	-119.4	93.8	174.8	-178.9	-111.3	0	0	0	111.1	C407 R411 H448 W454 F465 P480	C407-Y478 VanDerWaalsContact CA-OH 3.26Å; C407-Y478 WeakPolarHBondContact CA-OH 3.44Å; C407-Y478 WeakPolarHBondContact CB-OH 3.25Å; C407-Y478 PolarHBondContact O-OH 2.79Å; C407-Y478 VanDerWaalsContact O-OH 3.04Å; R411-Y478 HydrophobicContact CB-CD2 4.25Å; R411-Y478 HydrophobicContact CB-CE2 3.9Å; R411-Y478 HydrophobicContact CG-CD2 4.37Å; H448-Y478 AromaticContact NE2-CD2 3.57Å; W454-Y478 HydrophobicContact CH2-CD2 4.01Å; W454-Y478 HydrophobicContact CH2-CG 4.3Å; W454-Y478 HydrophobicContact CZ2-CD2 4.25Å; F465-Y478 HydrophobicContact CD1-CE1 4.48Å; F465-Y478 AromaticContact CE1-CD1 3.81Å; F465-Y478 HydrophobicContact CE1-CD1 3.81Å; F465-Y478 AromaticContact CE1-CD2 3.92Å; F465-Y478 HydrophobicContact CE1-CD2 3.92Å; F465-Y478 AromaticContact CE1-CE1 3.57Å; F465-Y478 HydrophobicContact CE1-CE1 3.57Å; F465-Y478 AromaticContact CE1-CE2 3.72Å; F465-Y478 HydrophobicContact CE1-CE2 3.72Å; F465-Y478 AromaticContact CE1-CG 3.96Å; F465-Y478 HydrophobicContact CE1-CG 3.96Å; F465-Y478 AromaticContact CE1-CZ 3.51Å; F465-Y478 HydrophobicContact CZ-CD1 4.44Å; F465-Y478 AromaticContact CZ-CD2 3.72Å; F465-Y478 HydrophobicContact CZ-CD2 3.72Å; F465-Y478 HydrophobicContact CZ-CE1 4.18Å; F465-Y478 AromaticContact CZ-CE2 3.43Å; F465-Y478 HydrophobicContact CZ-CE2 3.43Å; F465-Y478 VanDerWaalsContact CZ-CE2 3.43Å; F465-Y478 HydrophobicContact CZ-CG 4.21Å; F465-Y478 AromaticContact CZ-CZ 3.65Å; Y478-P480 VanDerWaalsContact C-CD 3.41Å; Y478-P480 HydrophobicContact CD1-CG 4.28Å; Y478-P480 HydrophobicContact CD2-CG 4.47Å; Y478-P480 HydrophobicContact CE1-CG 3.69Å; Y478-P480 HydrophobicContact CE2-CG 3.87Å; Y478-P480 VanDerWaalsContact CZ-CG 3.47Å
479	L	97.7	Very high	95	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	22%	0.223	C	C	.	.			trans	-121.6	44.8	-172.8	-62.6	173.2	0	0	0	115.5	M104 I442 V444 L447 H448 F476 F481 G482 A483	M104-L479 HydrophobicContact SD-CD1 4.27Å; I442-L479 HydrophobicContact CG2-CD1 4.23Å; V444-L479 HydrophobicContact CG1-CB 4.16Å; V444-L479 WeakPolarHBondContact CG1-O 3.26Å; V444-L479 HydrophobicContact CG2-CB 3.98Å; L447-L479 HydrophobicContact CD1-CD1 4.08Å; H448-L479 PolarHBondContact NE2-N 3.5Å; F476-L479 HydrophobicContact CD1-CD1 4.26Å; F476-L479 HydrophobicContact CD1-CD2 4.23Å; F476-L479 WeakPolarHBondContact O-CD1 3.39Å; L479-F481 PolarHBondContact O-N 3.02Å; L479-F481 VanDerWaalsContact O-N 3.13Å; L479-G482 PolarHBondContact O-N 3.44Å; L479-A483 HydrophobicContact CD2-CB 3.58Å
480	P	97.1	Very high	94.9	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.091	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.7	-176.6	29.8	-39.3	0	0	0	113.8	L410 Y478	L410-P480 HydrophobicContact CB-CB 3.95Å; L410-P480 HydrophobicContact CB-CG 4.49Å; L410-P480 HydrophobicContact CD1-CB 4.42Å; L410-P480 HydrophobicContact CD2-CB 4.36Å; L410-P480 HydrophobicContact CG-CB 4.49Å; Y478-P480 VanDerWaalsContact C-CD 3.41Å; Y478-P480 HydrophobicContact CD1-CG 4.28Å; Y478-P480 HydrophobicContact CD2-CG 4.47Å; Y478-P480 HydrophobicContact CE1-CG 3.69Å; Y478-P480 HydrophobicContact CE2-CG 3.87Å; Y478-P480 VanDerWaalsContact CZ-CG 3.47Å
481	F	97.3	Very high	95.1	Very high	33 Å²	33	36.6 Å²	36.6	15%	0.145	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	9.9	177.2	-64.8	-74.8	0	0	0	112.9	L410 L479 C488 M491 A494 Q495	L410-F481 HydrophobicContact CD1-CE2 3.7Å; L410-F481 HydrophobicContact CD1-CZ 3.93Å; L479-F481 PolarHBondContact O-N 3.02Å; L479-F481 VanDerWaalsContact O-N 3.13Å; F481-C488 HydrophobicContact CB-CB 3.81Å; F481-C488 HydrophobicContact CD1-CB 3.77Å; F481-C488 HydrophobicContact CG-CB 4.26Å; F481-C488 PolarHBondContact O-N 3.04Å; F481-M491 HydrophobicContact CB-CB 4.46Å; F481-M491 HydrophobicContact CB-CG 4.16Å; F481-M491 HydrophobicContact CB-SD 3.91Å; F481-M491 HydrophobicContact CD1-CB 3.99Å; F481-M491 HydrophobicContact CD1-CG 3.88Å; F481-M491 HydrophobicContact CD2-CG 3.66Å; F481-M491 HydrophobicContact CD2-SD 3.85Å; F481-M491 HydrophobicContact CE1-CB 4.39Å; F481-M491 HydrophobicContact CE1-CG 4.16Å; F481-M491 HydrophobicContact CE2-CG 3.97Å; F481-M491 HydrophobicContact CG-CB 4.11Å; F481-M491 HydrophobicContact CG-CG 3.62Å; F481-M491 HydrophobicContact CG-SD 3.91Å; F481-M491 HydrophobicContact CZ-CG 4.21Å; F481-A494 HydrophobicContact CE1-CB 4.41Å; F481-Q495 HydrophobicContact CE2-CG 4.32Å; F481-Q495 HydrophobicContact CZ-CG 4.21Å
482	G	95.9	Very high	95.1	Very high	18 Å²	18	32.6 Å²	32.6	19%	0.186	19%	0.189	C	C	.	.			trans	65.4	-173	-167.9	0	0	0	0	0	112.8	L479	L479-G482 PolarHBondContact O-N 3.44Å
483	A	94.8	Very high	95.3	Very high	17 Å²	17	28.2 Å²	28.2	14%	0.14	16%	0.158	C	C	.	.			trans	-140.5	168.8	179.5	0	0	0	0	0	111.6	M104 F476 L479	M104-A483 HydrophobicContact CE-CB 3.78Å; M104-A483 VanDerWaalsContact CE-N 3.31Å; F476-A483 HydrophobicContact CD1-CB 4.41Å; F476-A483 HydrophobicContact CE1-CB 3.68Å; F476-A483 HydrophobicContact CZ-CB 4.12Å; L479-A483 HydrophobicContact CD2-CB 3.58Å
484	G	94.7	Very high	95.4	Very high	18 Å²	18	26.9 Å²	26.9	19%	0.186	16%	0.155	C	C	.	.	S	Bend	trans	68.4	-167.4	179.8	0	0	0	0	0	114.1	R486 N487	G484-R486 PolarHBondContact O-N 2.9Å; G484-N487 VanDerWaalsContact O-CB 3.29Å; G484-N487 WeakPolarHBondContact O-CB 3.47Å; G484-N487 PolarHBondContact O-N 3.27Å
485	P	94.9	Very high	95.6	Very high	16 Å²	16	26.7 Å²	26.7	10%	0.104	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.4	-169.6	-24.9	33.9	0	0	0	115.3	M104 F108 W136 F301	M104-P485 WeakPolarHBondContact O-CD 3.2Å; F108-P485 HydrophobicContact CB-CG 4.44Å; F108-P485 HydrophobicContact CD1-CB 4.16Å; F108-P485 HydrophobicContact CD1-CG 3.72Å; F108-P485 HydrophobicContact CD2-CB 4.32Å; F108-P485 HydrophobicContact CD2-CG 3.94Å; F108-P485 HydrophobicContact CE1-CB 3.8Å; F108-P485 HydrophobicContact CE1-CG 3.91Å; F108-P485 HydrophobicContact CE2-CB 3.97Å; F108-P485 HydrophobicContact CE2-CG 4.12Å; F108-P485 HydrophobicContact CG-CB 4.41Å; F108-P485 HydrophobicContact CG-CG 3.74Å; F108-P485 HydrophobicContact CZ-CB 3.71Å; F108-P485 HydrophobicContact CZ-CG 4.11Å; W136-P485 HydrophobicContact CH2-CB 3.85Å; W136-P485 WeakPolarHBondContact CH2-O 3.41Å; W136-P485 VanDerWaalsContact CZ2-O 3.22Å; W136-P485 WeakPolarHBondContact CZ2-O 3.23Å; F301-P485 HydrophobicContact CE1-CB 3.91Å; F301-P485 HydrophobicContact CE1-CG 3.72Å; F301-P485 HydrophobicContact CZ-CB 3.59Å; F301-P485 HydrophobicContact CZ-CG 3.93Å
486	R	94.9	Very high	95.8	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.011	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	14.4	179.4	-83.8	-89.2	-164.9	173.6	1.6	113.3	F108 P112 R114 L128 L131 W136 R421 G484	F108-R486 HydrophobicContact CE2-CB 4.12Å; F108-R486 HydrophobicContact CE2-CG 3.68Å; F108-R486 HydrophobicContact CZ-CG 3.8Å; P112-R486 VanDerWaalsContact O-CZ 3.32Å; P112-R486 PolarHBondContact O-NE 2.94Å; P112-R486 PolarHBondContact O-NH2 3.42Å; R114-R486 PolarHBondContact NH2-O 2.88Å; L128-R486 PolarHBondContact O-NH1 3.45Å; L131-R486 PolarHBondContact O-NH1 2.98Å; L131-R486 PolarHBondContact O-NH2 2.8Å; W136-R486 VanDerWaalsContact CE2-CD 3.42Å; W136-R486 VanDerWaalsContact CE2-NE 3.33Å; W136-R486 HydrophobicContact CH2-CG 3.98Å; W136-R486 HydrophobicContact CZ2-CB 4.42Å; W136-R486 HydrophobicContact CZ2-CG 3.58Å; R421-R486 VanDerWaalsContact NH2-CB 3.34Å; G484-R486 PolarHBondContact O-N 2.9Å
487	N	95.5	Very high	95.9	Very high	33 Å²	33	23.2 Å²	23.2	18%	0.176	13%	0.132	C	C	.	.	S	Bend	trans	-60.3	170.6	173.7	75.1	-12.5	0	0	0	112.4	R140 G484 V489	R140-N487 PolarHBondContact NH1-O 3.36Å; R140-N487 PolarHBondContact NH2-O 2.8Å; R140-N487 PolarHBondContact NH2-OD1 2.8Å; G484-N487 VanDerWaalsContact O-CB 3.29Å; G484-N487 WeakPolarHBondContact O-CB 3.47Å; G484-N487 PolarHBondContact O-N 3.27Å; N487-V489 PolarHBondContact O-N 3.07Å
488	C	96.6	Very high	96	Very high	48 Å²	48	23.3 Å²	23.3	32%	0.324	13%	0.133	S	C	.	.			trans	-58.2	123.6	178.8	-172	0	0	0	0	111.2	F481 G490 M491	F481-C488 HydrophobicContact CB-CB 3.81Å; F481-C488 HydrophobicContact CD1-CB 3.77Å; F481-C488 HydrophobicContact CG-CB 4.26Å; F481-C488 PolarHBondContact O-N 3.04Å; C488-G490 VanDerWaalsContact C-N 3.34Å; C488-G490 PolarHBondContact SG-N 3.47Å; C488-M491 HydrophobicContact CB-CB 4.27Å
489	V	93.9	Very high	96	Very high	25 Å²	25	22.5 Å²	22.5	15%	0.152	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-32.2	176.2	73.5	0	0	0	0	111.8	L128 F147 F348 N487	L128-V489 HydrophobicContact CD2-CB 4.22Å; L128-V489 HydrophobicContact CD2-CG1 4.02Å; F147-V489 HydrophobicContact CD2-CG2 3.66Å; F147-V489 HydrophobicContact CE2-CB 4.26Å; F147-V489 HydrophobicContact CE2-CG1 3.83Å; F147-V489 HydrophobicContact CE2-CG2 3.64Å; F147-V489 WeakPolarHBondContact CG-O 3.29Å; F147-V489 HydrophobicContact CZ-CG1 4.06Å; F348-V489 HydrophobicContact CE1-CG1 3.83Å; F348-V489 HydrophobicContact CZ-CG1 4.24Å; N487-V489 PolarHBondContact O-N 3.07Å
490	G	93.7	Very high	96.1	Very high	16 Å²	16	22.2 Å²	22.2	17%	0.165	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	13	-175.4	0	0	0	0	0	114.8	C488 R492 L493 A494	C488-G490 VanDerWaalsContact C-N 3.34Å; C488-G490 PolarHBondContact SG-N 3.47Å; G490-R492 VanDerWaalsContact C-N 3.3Å; G490-R492 PolarHBondContact O-N 2.84Å; G490-L493 PolarHBondContact O-N 3.11Å; G490-A494 PolarHBondContact O-N 2.95Å
491	M	95.6	Very high	96.1	Very high	32 Å²	32	21.6 Å²	21.6	16%	0.158	12%	0.124	C	C	.	.	H	α-helix	trans	-52.3	-46.2	-175.3	178.7	178.7	73	0	0	112.6	P306 F481 C488 A494 Q495	P306-M491 HydrophobicContact CB-CE 3.88Å; P306-M491 HydrophobicContact CG-CE 3.76Å; F481-M491 HydrophobicContact CB-CB 4.46Å; F481-M491 HydrophobicContact CB-CG 4.16Å; F481-M491 HydrophobicContact CB-SD 3.91Å; F481-M491 HydrophobicContact CD1-CB 3.99Å; F481-M491 HydrophobicContact CD1-CG 3.88Å; F481-M491 HydrophobicContact CD2-CG 3.66Å; F481-M491 HydrophobicContact CD2-SD 3.85Å; F481-M491 HydrophobicContact CE1-CB 4.39Å; F481-M491 HydrophobicContact CE1-CG 4.16Å; F481-M491 HydrophobicContact CE2-CG 3.97Å; F481-M491 HydrophobicContact CG-CB 4.11Å; F481-M491 HydrophobicContact CG-CG 3.62Å; F481-M491 HydrophobicContact CG-SD 3.91Å; F481-M491 HydrophobicContact CZ-CG 4.21Å; C488-M491 HydrophobicContact CB-CB 4.27Å; M491-A494 PolarHBondContact O-N 3.45Å; M491-Q495 WeakPolarHBondContact O-CB 3.26Å; M491-Q495 WeakPolarHBondContact O-CG 3.45Å; M491-Q495 PolarHBondContact O-N 3Å
492	R	94.2	Very high	96.2	Very high	85 Å²	85	20 Å²	20	32%	0.321	12%	0.117	S	C	.	.	H	α-helix	trans	-66.3	-42	-178.4	-66.1	171.2	69.2	165	13.1	112.5	F147 A149 M152 Y393 G490 L496	F147-R492 WeakPolarHBondContact O-CD 3.22Å; F147-R492 PolarHBondContact O-NE 2.95Å; F147-R492 PolarHBondContact O-NH1 3.31Å; A149-R492 VanDerWaalsContact CA-NH2 3.32Å; A149-R492 VanDerWaalsContact CB-NH2 3.35Å; M152-R492 HydrophobicContact CG-CB 4.47Å; M152-R492 HydrophobicContact SD-CB 4.19Å; Y393-R492 PolarHBondContact OH-NH2 2.78Å; G490-R492 VanDerWaalsContact C-N 3.3Å; G490-R492 PolarHBondContact O-N 2.84Å; R492-L496 VanDerWaalsContact O-CB 3.26Å; R492-L496 WeakPolarHBondContact O-CB 3.16Å; R492-L496 PolarHBondContact O-N 2.95Å
493	L	94.8	Very high	96.3	Very high	9 Å²	9	19.2 Å²	19.2	5%	0.047	11%	0.108	C	C	.	.	H	α-helix	trans	-64.6	-47.6	177.7	177.3	60.9	0	0	0	110.5	F147 M152 M155 I159 I194 V197 F282 G490 Q495 L496 E497	F147-L493 HydrophobicContact CD1-CB 4.12Å; F147-L493 HydrophobicContact CE1-CB 4.2Å; F147-L493 HydrophobicContact CE1-CD2 4.09Å; M152-L493 HydrophobicContact CE-CB 4.43Å; M152-L493 HydrophobicContact SD-CB 3.96Å; M152-L493 HydrophobicContact SD-CD1 4.35Å; M155-L493 HydrophobicContact SD-CD1 4.09Å; I159-L493 HydrophobicContact CD1-CD1 4.07Å; I194-L493 HydrophobicContact CD1-CD2 4.49Å; V197-L493 HydrophobicContact CG2-CD2 4.17Å; F282-L493 HydrophobicContact CE2-CD2 4.14Å; F282-L493 HydrophobicContact CZ-CD2 4.4Å; G490-L493 PolarHBondContact O-N 3.11Å; L493-Q495 PolarHBondContact O-N 3.48Å; L493-L496 PolarHBondContact O-N 3.33Å; L493-E497 PolarHBondContact O-N 2.62Å
494	A	96.9	Very high	96.5	Very high	11 Å²	11	18.8 Å²	18.8	9%	0.091	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-48.4	177.9	0	0	0	0	0	111.4	F481 G490 M491 L496 E497 I498	F481-A494 HydrophobicContact CE1-CB 4.41Å; G490-A494 PolarHBondContact O-N 2.95Å; M491-A494 PolarHBondContact O-N 3.45Å; A494-L496 VanDerWaalsContact C-N 3.31Å; A494-L496 PolarHBondContact O-N 3.43Å; A494-E497 WeakPolarHBondContact O-CG 3.45Å; A494-I498 HydrophobicContact CB-CD1 4.48Å; A494-I498 VanDerWaalsContact O-CB 3.24Å; A494-I498 WeakPolarHBondContact O-CB 3.16Å; A494-I498 VanDerWaalsContact O-CD1 3.22Å; A494-I498 WeakPolarHBondContact O-CD1 3.4Å; A494-I498 WeakPolarHBondContact O-CG1 3.34Å; A494-I498 PolarHBondContact O-N 3.29Å
495	Q	96.9	Very high	96.7	Very high	47 Å²	47	18 Å²	18	22%	0.22	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-39.6	177.2	-74.8	177.8	-27.2	0	0	112.4	F481 M491 L493 R499	F481-Q495 HydrophobicContact CE2-CG 4.32Å; F481-Q495 HydrophobicContact CZ-CG 4.21Å; M491-Q495 WeakPolarHBondContact O-CB 3.26Å; M491-Q495 WeakPolarHBondContact O-CG 3.45Å; M491-Q495 PolarHBondContact O-N 3Å; L493-Q495 PolarHBondContact O-N 3.48Å; Q495-R499 WeakPolarHBondContact O-CB 3.33Å; Q495-R499 VanDerWaalsContact O-CG 3.25Å; Q495-R499 WeakPolarHBondContact O-CG 3.46Å; Q495-R499 PolarHBondContact O-N 3.09Å; Q495-R499 VanDerWaalsContact O-N 3.08Å
496	L	96.9	Very high	96.8	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-55.5	178.9	-179	63.9	0	0	0	111.6	M152 V156 I159 Y393 V396 R492 L493 A494 I498 R499 I500	M152-L496 HydrophobicContact CB-CD2 4.03Å; M152-L496 HydrophobicContact SD-CD2 4.48Å; V156-L496 HydrophobicContact CG2-CD2 4.12Å; I159-L496 HydrophobicContact CD1-CD2 3.85Å; I159-L496 HydrophobicContact CD1-CG 4.15Å; Y393-L496 HydrophobicContact CD2-CD1 4.18Å; Y393-L496 HydrophobicContact CD2-CD2 4.06Å; V396-L496 HydrophobicContact CG1-CD1 3.92Å; R492-L496 VanDerWaalsContact O-CB 3.26Å; R492-L496 WeakPolarHBondContact O-CB 3.16Å; R492-L496 PolarHBondContact O-N 2.95Å; L493-L496 PolarHBondContact O-N 3.33Å; A494-L496 VanDerWaalsContact C-N 3.31Å; A494-L496 PolarHBondContact O-N 3.43Å; L496-I498 VanDerWaalsContact C-N 3.32Å; L496-I498 PolarHBondContact O-N 2.9Å; L496-R499 PolarHBondContact O-N 3.42Å; L496-I500 HydrophobicContact CD1-CD1 3.76Å; L496-I500 HydrophobicContact CD1-CG1 4.23Å; L496-I500 HydrophobicContact CG-CD1 3.93Å; L496-I500 VanDerWaalsContact O-CG1 3.3Å; L496-I500 WeakPolarHBondContact O-CG1 3.27Å; L496-I500 PolarHBondContact O-N 3.12Å
497	E	97.1	Very high	96.9	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-64.8	-37.1	-177.1	73.9	-171.8	-175.2	0	0	112.2	I159 V193 S356 L493 A494 A501	I159-E497 HydrophobicContact CD1-CB 4.37Å; I159-E497 HydrophobicContact CG2-CB 3.92Å; V193-E497 HydrophobicContact CG1-CB 4.48Å; V193-E497 WeakPolarHBondContact CG1-OE2 3.34Å; S356-E497 WeakPolarHBondContact CB-OE1 3.48Å; S356-E497 PolarHBondContact OG-OE1 3.33Å; L493-E497 PolarHBondContact O-N 2.62Å; A494-E497 WeakPolarHBondContact O-CG 3.45Å; E497-A501 VanDerWaalsContact O-CB 3.3Å; E497-A501 WeakPolarHBondContact O-CB 3.18Å; E497-A501 PolarHBondContact O-N 2.93Å
498	I	98.6	Very high	97	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-49	177	-70.2	166	0	0	0	110.1	T359 L360 V406 A494 L496 A501 L502	T359-I498 HydrophobicContact CG2-CD1 3.78Å; L360-I498 HydrophobicContact CD2-CB 4.37Å; L360-I498 HydrophobicContact CD2-CG1 4.45Å; L360-I498 HydrophobicContact CD2-CG2 4.04Å; L360-I498 HydrophobicContact CG-CG1 4.19Å; L360-I498 HydrophobicContact CG-CG2 4.49Å; V406-I498 HydrophobicContact CG1-CG2 4.12Å; V406-I498 HydrophobicContact CG2-CG2 4.15Å; A494-I498 HydrophobicContact CB-CD1 4.48Å; A494-I498 VanDerWaalsContact O-CB 3.24Å; A494-I498 WeakPolarHBondContact O-CB 3.16Å; A494-I498 VanDerWaalsContact O-CD1 3.22Å; A494-I498 WeakPolarHBondContact O-CD1 3.4Å; A494-I498 WeakPolarHBondContact O-CG1 3.34Å; A494-I498 PolarHBondContact O-N 3.29Å; L496-I498 VanDerWaalsContact C-N 3.32Å; L496-I498 PolarHBondContact O-N 2.9Å; I498-A501 PolarHBondContact O-N 3.21Å; I498-L502 HydrophobicContact CG2-CD1 3.65Å; I498-L502 HydrophobicContact CG2-CG 4.41Å; I498-L502 WeakPolarHBondContact O-CB 3.36Å; I498-L502 WeakPolarHBondContact O-CG 3.46Å; I498-L502 PolarHBondContact O-N 3.21Å
499	R	98.5	Very high	97.1	Very high	31 Å²	31	18.2 Å²	18.2	12%	0.117	9%	0.086	C	C	.	.	H	α-helix	trans	-67.5	-40.3	-178.9	-70.3	-178.9	-165.2	164.8	10	112.2	V396 L402 D403 Q495 L496 L502 A503	V396-R499 HydrophobicContact CG2-CB 3.62Å; L402-R499 HydrophobicContact CD2-CB 4.34Å; D403-R499 IonicContact OD1-CZ 2.66Å; D403-R499 VanDerWaalsContact OD1-CZ 3.28Å; D403-R499 IonicContact OD1-NE 2.74Å; D403-R499 IonicContact OD1-NH2 3.72Å; D403-R499 PolarHBondContact OD1-NH2 3.47Å; Q495-R499 WeakPolarHBondContact O-CB 3.33Å; Q495-R499 VanDerWaalsContact O-CG 3.25Å; Q495-R499 WeakPolarHBondContact O-CG 3.46Å; Q495-R499 PolarHBondContact O-N 3.09Å; Q495-R499 VanDerWaalsContact O-N 3.08Å; L496-R499 PolarHBondContact O-N 3.42Å; R499-L502 PolarHBondContact O-N 3.15Å; R499-A503 WeakPolarHBondContact O-CB 3.42Å; R499-A503 PolarHBondContact O-N 2.92Å
500	I	98.5	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.8	-48.2	176.1	-69.3	179.4	0	0	0	110.3	I159 N160 A163 P391 V396 L496 L502 A503 H504	I159-I500 HydrophobicContact CB-CD1 4.48Å; I159-I500 HydrophobicContact CG2-CB 4.14Å; I159-I500 HydrophobicContact CG2-CD1 3.96Å; I159-I500 HydrophobicContact CG2-CG2 4Å; N160-I500 WeakPolarHBondContact OD1-CG2 3.07Å; A163-I500 HydrophobicContact CB-CG2 4.34Å; P391-I500 HydrophobicContact CB-CB 4.43Å; P391-I500 HydrophobicContact CB-CG1 3.92Å; P391-I500 HydrophobicContact CB-CG2 4.38Å; V396-I500 HydrophobicContact CG2-CG1 4.5Å; L496-I500 HydrophobicContact CD1-CD1 3.76Å; L496-I500 HydrophobicContact CD1-CG1 4.23Å; L496-I500 HydrophobicContact CG-CD1 3.93Å; L496-I500 VanDerWaalsContact O-CG1 3.3Å; L496-I500 WeakPolarHBondContact O-CG1 3.27Å; L496-I500 PolarHBondContact O-N 3.12Å; I500-L502 PolarHBondContact O-N 3.44Å; I500-A503 PolarHBondContact O-N 3.21Å; I500-H504 PolarHBondContact O-CD2 2.69Å; I500-H504 VanDerWaalsContact O-CD2 3.29Å; I500-H504 PolarHBondContact O-N 3Å; I500-H504 VanDerWaalsContact O-N 3.1Å
501	A	98.6	Very high	97.5	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-44.9	179.6	0	0	0	0	0	112.2	F189 L360 E497 I498 L505	F189-A501 HydrophobicContact CD1-CB 4.41Å; F189-A501 HydrophobicContact CE1-CB 3.64Å; F189-A501 HydrophobicContact CZ-CB 3.72Å; L360-A501 HydrophobicContact CD2-CB 3.97Å; E497-A501 VanDerWaalsContact O-CB 3.3Å; E497-A501 WeakPolarHBondContact O-CB 3.18Å; E497-A501 PolarHBondContact O-N 2.93Å; I498-A501 PolarHBondContact O-N 3.21Å; A501-L505 VanDerWaalsContact O-CB 3.29Å; A501-L505 WeakPolarHBondContact O-CB 3.38Å; A501-L505 PolarHBondContact O-N 2.87Å
502	L	98.8	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.9	-37.1	178.4	-65.5	168.7	0	0	0	112.2	L360 T363 L402 V406 I498 R499 I500 L505 F506	L360-L502 HydrophobicContact CD2-CD1 4.32Å; L360-L502 HydrophobicContact CD2-CD2 3.85Å; L360-L502 HydrophobicContact CD2-CG 3.73Å; T363-L502 HydrophobicContact CG2-CD1 3.8Å; T363-L502 HydrophobicContact CG2-CD2 4.24Å; L402-L502 HydrophobicContact CD1-CB 3.96Å; L402-L502 HydrophobicContact CD1-CD1 4.08Å; L402-L502 HydrophobicContact CD2-CB 4.32Å; V406-L502 HydrophobicContact CG2-CD1 3.57Å; I498-L502 HydrophobicContact CG2-CD1 3.65Å; I498-L502 HydrophobicContact CG2-CG 4.41Å; I498-L502 WeakPolarHBondContact O-CB 3.36Å; I498-L502 WeakPolarHBondContact O-CG 3.46Å; I498-L502 PolarHBondContact O-N 3.21Å; R499-L502 PolarHBondContact O-N 3.15Å; I500-L502 PolarHBondContact O-N 3.44Å; L502-L505 PolarHBondContact O-N 3.14Å; L502-F506 HydrophobicContact CB-CD2 4.32Å; L502-F506 HydrophobicContact CD2-CD2 4.44Å; L502-F506 HydrophobicContact CD2-CE2 3.85Å; L502-F506 WeakPolarHBondContact O-CD2 3.4Å; L502-F506 PolarHBondContact O-N 3.46Å
503	A	98.5	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-50.4	176.1	0	0	0	0	0	110.9	P391 L399 L402 R499 I500 H507	P391-A503 HydrophobicContact CG-CB 3.81Å; L399-A503 HydrophobicContact CD1-CB 3.87Å; L402-A503 HydrophobicContact CD2-CB 4.47Å; R499-A503 WeakPolarHBondContact O-CB 3.42Å; R499-A503 PolarHBondContact O-N 2.92Å; I500-A503 PolarHBondContact O-N 3.21Å; A503-H507 WeakPolarHBondContact O-CB 3.27Å; A503-H507 PolarHBondContact O-N 2.74Å
504	H	98.1	Very high	97.8	Very high	9 Å²	9	21.3 Å²	21.3	4%	0.042	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-43.2	175.4	-77.7	-64.7	0	0	0	112.6	N160 M167 I500 H507 R508	N160-H504 PolarHBondContact OD1-NE2 3.02Å; M167-H504 HydrophobicContact CE-CB 4.3Å; M167-H504 HydrophobicContact CG-CB 3.92Å; M167-H504 VanDerWaalsContact SD-C 3.55Å; M167-H504 HydrophobicContact SD-CB 3.96Å; I500-H504 PolarHBondContact O-CD2 2.69Å; I500-H504 VanDerWaalsContact O-CD2 3.29Å; I500-H504 PolarHBondContact O-N 3Å; I500-H504 VanDerWaalsContact O-N 3.1Å; H504-H507 PolarHBondContact O-N 3.12Å; H504-R508 PolarHBondContact O-N 3.41Å
505	L	98.4	Very high	97.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-57.7	-178.8	-168.1	160.3	0	0	0	111.5	M167 L170 I182 F186 A501 L502 H507 R508 F509 I511	M167-L505 HydrophobicContact CE-CB 3.86Å; M167-L505 HydrophobicContact CE-CG 4.37Å; M167-L505 WeakPolarHBondContact SD-CA 3.42Å; M167-L505 HydrophobicContact SD-CB 4.18Å; L170-L505 HydrophobicContact CD1-CD1 3.78Å; L170-L505 HydrophobicContact CD1-CG 4.05Å; I182-L505 HydrophobicContact CD1-CD1 4.34Å; F186-L505 HydrophobicContact CE1-CD1 3.94Å; F186-L505 HydrophobicContact CZ-CD1 3.75Å; A501-L505 VanDerWaalsContact O-CB 3.29Å; A501-L505 WeakPolarHBondContact O-CB 3.38Å; A501-L505 PolarHBondContact O-N 2.87Å; L502-L505 PolarHBondContact O-N 3.14Å; L505-H507 PolarHBondContact O-N 3.35Å; L505-R508 PolarHBondContact O-N 2.79Å; L505-F509 HydrophobicContact CD2-CB 4.39Å; L505-F509 HydrophobicContact CG-CD2 4.45Å; L505-F509 PolarHBondContact O-N 2.97Å; L505-I511 HydrophobicContact CD1-CD1 4.3Å; L505-I511 HydrophobicContact CD2-CD1 3.61Å; L505-I511 HydrophobicContact CD2-CG1 3.82Å
506	F	98.4	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-74.8	-16.3	-176.2	-72.9	-66.3	0	0	0	112.9	L367 Q374 V377 Q378 I381 L502 I511 R542	L367-F506 HydrophobicContact CB-CE1 4.43Å; L367-F506 HydrophobicContact CB-CZ 4.02Å; L367-F506 HydrophobicContact CD1-CD2 4.15Å; L367-F506 HydrophobicContact CD1-CE1 4.05Å; L367-F506 HydrophobicContact CD1-CE2 3.29Å; L367-F506 HydrophobicContact CD1-CZ 3.24Å; L367-F506 HydrophobicContact CG-CZ 4.28Å; Q374-F506 HydrophobicContact CG-CD1 3.9Å; Q374-F506 HydrophobicContact CG-CE1 3.66Å; V377-F506 HydrophobicContact CG1-CB 4.24Å; V377-F506 HydrophobicContact CG1-CD2 4.17Å; V377-F506 HydrophobicContact CG1-CG 4.25Å; Q378-F506 HydrophobicContact CG-CB 4.1Å; Q378-F506 HydrophobicContact CG-CD1 4.38Å; I381-F506 HydrophobicContact CD1-CB 3.65Å; L502-F506 HydrophobicContact CB-CD2 4.32Å; L502-F506 HydrophobicContact CD2-CD2 4.44Å; L502-F506 HydrophobicContact CD2-CE2 3.85Å; L502-F506 WeakPolarHBondContact O-CD2 3.4Å; L502-F506 PolarHBondContact O-N 3.46Å; F506-I511 HydrophobicContact CE1-CD1 3.95Å; F506-I511 HydrophobicContact CE1-CG1 3.94Å; F506-I511 HydrophobicContact CZ-CD1 3.78Å; F506-I511 HydrophobicContact CZ-CG1 4.3Å; F506-R542 WeakPolarHBondContact O-CD 3.49Å; F506-R542 PolarHBondContact O-NH1 3.5Å
507	H	97.1	Very high	97.8	Very high	27 Å²	27	29.9 Å²	29.9	13%	0.125	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-47.9	163.6	-165.8	46.4	0	0	0	109.6	I381 D382 F385 A503 H504 L505 R542 R544	I381-H507 HydrophobicContact CG2-CB 3.7Å; D382-H507 IonicContact OD1-CE1 3.05Å; D382-H507 IonicContact OD1-ND1 2.74Å; D382-H507 PolarHBondContact OD1-ND1 2.84Å; F385-H507 VanDerWaalsContact CB-CE1 3.4Å; F385-H507 WeakPolarHBondContact CB-CE1 3.28Å; F385-H507 AromaticContact CD1-NE2 3.99Å; F385-H507 HydrophobicContact CD2-CB 3.95Å; F385-H507 AromaticContact CD2-CD2 3.64Å; F385-H507 AromaticContact CD2-CE1 3.59Å; F385-H507 AromaticContact CD2-CG 3.4Å; F385-H507 AromaticContact CD2-ND1 3.37Å; F385-H507 WeakPolarHBondContact CD2-ND1 3.23Å; F385-H507 AromaticContact CD2-NE2 3.84Å; F385-H507 HydrophobicContact CE2-CB 3.64Å; F385-H507 AromaticContact CE2-CD2 3.77Å; F385-H507 AromaticContact CE2-CG 3.55Å; F385-H507 AromaticContact CG-CD2 3.81Å; F385-H507 AromaticContact CG-CE1 3.54Å; F385-H507 AromaticContact CG-CG 4Å; F385-H507 AromaticContact CG-ND1 3.85Å; F385-H507 AromaticContact CG-NE2 3.6Å; F385-H507 HydrophobicContact CZ-CB 4.37Å; A503-H507 WeakPolarHBondContact O-CB 3.27Å; A503-H507 PolarHBondContact O-N 2.74Å; H504-H507 PolarHBondContact O-N 3.12Å; L505-H507 PolarHBondContact O-N 3.35Å; H507-R542 WeakPolarHBondContact O-CD 2.92Å; H507-R542 PolarHBondContact O-NH1 3.44Å; H507-R542 VanDerWaalsContact O-NH1 3.11Å; H507-R544 PolarHBondContact CE1-NH1 2.99Å; H507-R544 PolarHBondContact CD2-NH2 3.02Å; H507-R544 PolarHBondContact O-NH2 2.77Å; H507-R544 PolarHBondContact NE2-NH2 3.43Å; H507-R544 PolarHBondContact NE2-NH1 2.76Å; H507-R544 PolarHBondContact ND1-NH2 3.12Å; H507-R544 VanDerWaalsContact NE2-CZ 3.34Å; H507-R544 PolarHBondContact CE1-NH2 2.84Å
508	R	97.1	Very high	97.8	Very high	77 Å²	77	34 Å²	34	29%	0.291	18%	0.177	S	C	.	.	H	α-helix	trans	-92.6	-30.4	-170	-61.8	-177.4	-168	-164.2	9.4	115.5	D164 E171 H504 L505 R542	D164-R508 IonicContact OD1-NH2 3.39Å; E171-R508 IonicContact OE1-NH1 3.42Å; E171-R508 PolarHBondContact OE1-NH1 2.95Å; H504-R508 PolarHBondContact O-N 3.41Å; L505-R508 PolarHBondContact O-N 2.79Å; R508-R542 PolarHBondContact O-N 3.11Å
509	F	98.4	Very high	97.7	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.7	-167.2	-54.4	-71.1	0	0	0	113.7	M167 L170 E171 A174 Q378 L505 I539 T540 H541 R542	M167-F509 HydrophobicContact SD-CD2 4.25Å; M167-F509 HydrophobicContact SD-CE2 3.84Å; L170-F509 HydrophobicContact CB-CD2 4.39Å; L170-F509 HydrophobicContact CB-CE2 3.82Å; L170-F509 HydrophobicContact CB-CZ 4.08Å; L170-F509 HydrophobicContact CD1-CE2 4.48Å; E171-F509 HydrophobicContact CB-CZ 4.48Å; E171-F509 HydrophobicContact CG-CE1 4.23Å; E171-F509 HydrophobicContact CG-CZ 3.68Å; A174-F509 HydrophobicContact CB-CD1 3.97Å; A174-F509 HydrophobicContact CB-CE1 3.77Å; Q378-F509 PolarHBondContact NE2-O 3.33Å; L505-F509 HydrophobicContact CD2-CB 4.39Å; L505-F509 HydrophobicContact CG-CD2 4.45Å; L505-F509 PolarHBondContact O-N 2.97Å; F509-I539 HydrophobicContact CD1-CD1 4.47Å; F509-T540 CarbonylContact C-O 3.52Å; F509-T540 VanDerWaalsContact CA-O 3.28Å; F509-T540 WeakPolarHBondContact CA-O 3.26Å; F509-H541 AromaticContact CE1-CE1 3.93Å; F509-H541 AromaticContact CE1-ND1 3.75Å; F509-R542 VanDerWaalsContact C-CG 3.46Å; F509-R542 WeakPolarHBondContact O-CD 3.48Å
510	N	98.1	Very high	97.5	Very high	44 Å²	44	42 Å²	42	24%	0.235	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.1	156.6	-59	-44	0	0	0	108.5	Q378 I539 T540 R542	Q378-N510 PolarHBondContact NE2-OD1 2.88Å; N510-I539 WeakPolarHBondContact O-CA 3.34Å; N510-I539 WeakPolarHBondContact O-CB 3.44Å; N510-T540 PolarHBondContact N-O 2.93Å; N510-T540 PolarHBondContact ND2-OG1 3.06Å; N510-T540 PolarHBondContact O-N 3.21Å; N510-R542 WeakPolarHBondContact OD1-CG 3.34Å
511	I	98	Very high	97.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.7	168.6	-51.5	-174.6	0	0	0	108.7	I182 C364 A368 Q374 L505 F506 V537 I539	I182-I511 HydrophobicContact CD1-CD1 3.89Å; C364-I511 HydrophobicContact CB-CD1 3.56Å; A368-I511 HydrophobicContact CB-CB 4.46Å; A368-I511 HydrophobicContact CB-CG2 3.84Å; Q374-I511 PolarHBondContact NE2-O 3.19Å; Q374-I511 PolarHBondContact OE1-O 3.11Å; L505-I511 HydrophobicContact CD1-CD1 4.3Å; L505-I511 HydrophobicContact CD2-CD1 3.61Å; L505-I511 HydrophobicContact CD2-CG1 3.82Å; F506-I511 HydrophobicContact CE1-CD1 3.95Å; F506-I511 HydrophobicContact CE1-CG1 3.94Å; F506-I511 HydrophobicContact CZ-CD1 3.78Å; F506-I511 HydrophobicContact CZ-CG1 4.3Å; I511-V537 HydrophobicContact CG2-CB 3.8Å; I511-V537 HydrophobicContact CG2-CG1 3.95Å; I511-V537 HydrophobicContact CG2-CG2 3.91Å; I511-I539 HydrophobicContact CG2-CG2 4.3Å; I511-I539 HydrophobicContact CG1-CG2 3.96Å; I511-I539 HydrophobicContact CB-CG2 4.38Å
512	E	97.6	Very high	97.1	Very high	84 Å²	84	45.3 Å²	45.3	39%	0.393	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.8	-176.6	-60.3	179.6	160.3	0	0	111	K538	E512-K538 PolarHBondContact N-O 2.81Å; E512-K538 PolarHBondContact O-N 3.39Å
513	T	97.6	Very high	97	Very high	71 Å²	71	46.8 Å²	46.8	44%	0.436	26%	0.257	S	S	.	.			trans	-67.1	147.2	166.2	58.6	0	0	0	0	110.4	A368 I369 T517	A368-T513 HydrophobicContact CB-CG2 4.29Å; I369-T513 HydrophobicContact CB-CG2 4.49Å; I369-T513 HydrophobicContact CG2-CG2 3.62Å; T513-T517 HydrophobicContact CG2-CG2 4.13Å
514	C	96.3	Very high	96.7	Very high	31 Å²	31	49.9 Å²	49.9	21%	0.209	27%	0.27	C	S	.	.			trans	-130.5	179.5	174	66.8	0	0	0	0	110.5	A179 E516 T517 K538	A179-C514 HydrophobicContact CB-CB 4.45Å; C514-E516 PolarHBondContact O-N 3.4Å; C514-E516 VanDerWaalsContact O-N 3.13Å; C514-T517 PolarHBondContact N-OG1 3.14Å; C514-T517 WeakPolarHBondContact O-CB 3.45Å; C514-T517 PolarHBondContact O-N 3.25Å; C514-T517 PolarHBondContact O-OG1 3.31Å; C514-T517 PolarHBondContact SG-OG1 2.84Å; C514-K538 HydrophobicContact CB-CB 4.39Å
515	S	96.4	Very high	96.5	Very high	125 Å²	125	50 Å²	50	87%	0.874	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.5	177.9	50.9	0	0	0	0	114.1
516	E	97	Very high	95.9	Very high	102 Å²	102	51.9 Å²	51.9	48%	0.477	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.9	177.6	-64.4	169.6	-145.3	0	0	112.6	C514 K518 Y536	C514-E516 PolarHBondContact O-N 3.4Å; C514-E516 VanDerWaalsContact O-N 3.13Å; E516-K518 PolarHBondContact O-N 3.06Å; E516-Y536 HydrophobicContact CB-CD1 4.46Å; E516-Y536 HydrophobicContact CB-CG 4.29Å; E516-Y536 WeakPolarHBondContact OE2-CD1 3.34Å
517	T	97.6	Very high	95.3	Very high	17 Å²	17	54.8 Å²	54.8	10%	0.104	31%	0.306	C	S	.	.			trans	-73.2	112	179.5	-53.6	0	0	0	0	110.3	Y365 T513 C514 V519 Y536	Y365-T517 HydrophobicContact CD2-CG2 4.37Å; Y365-T517 HydrophobicContact CE2-CG2 4.16Å; T513-T517 HydrophobicContact CG2-CG2 4.13Å; C514-T517 PolarHBondContact N-OG1 3.14Å; C514-T517 WeakPolarHBondContact O-CB 3.45Å; C514-T517 PolarHBondContact O-N 3.25Å; C514-T517 PolarHBondContact O-OG1 3.31Å; C514-T517 PolarHBondContact SG-OG1 2.84Å; T517-V519 HydrophobicContact CG2-CG2 4.28Å; T517-V519 PolarHBondContact O-N 3.1Å; T517-Y536 WeakPolarHBondContact CA-O 3.23Å; T517-Y536 WeakPolarHBondContact CB-O 3.44Å; T517-Y536 PolarHBondContact OG1-O 3.16Å
518	K	97.1	Very high	95.1	Very high	88 Å²	88	54.1 Å²	54.1	38%	0.383	30%	0.304	S	S	.	.			trans	-74	123	176.6	-66.7	-174.1	175.6	-175.6	0	111.8	Y365 E516 P520 D522 D533	Y365-K518 VanDerWaalsContact CE2-O 3.26Å; Y365-K518 WeakPolarHBondContact CE2-O 3.29Å; Y365-K518 PolarHBondContact OH-O 3.4Å; E516-K518 PolarHBondContact O-N 3.06Å; K518-P520 CarbonylContact C-O 3.58Å; K518-P520 CarbonylContact O-C 3.58Å; K518-D522 HydrophobicContact CD-CB 4.48Å; K518-D522 WeakPolarHBondContact CD-OD2 3.49Å; K518-D522 IonicContact NZ-OD2 3.2Å; K518-D522 PolarHBondContact NZ-OD2 2.87Å; K518-D533 IonicContact NZ-OD2 3.26Å; K518-D533 PolarHBondContact NZ-OD2 3.32Å
519	V	95.1	Very high	95	Very high	96 Å²	96	50.5 Å²	50.5	58%	0.582	29%	0.29	S	S	*	.	S	Bend	trans	-130.7	110.6	173.6	-173.3	0	0	0	0	108.6	Y365 I369 T517	Y365-V519 HydrophobicContact CE2-CG2 4.38Å; I369-V519 HydrophobicContact CG2-CG2 3.87Å; T517-V519 HydrophobicContact CG2-CG2 4.28Å; T517-V519 PolarHBondContact O-N 3.1Å
520	P	94.3	Very high	94.9	Very high	105 Å²	105	50.4 Å²	50.4	68%	0.682	29%	0.29	S	S	*	.	S	Bend	cis	-71.4	159.5	-2.2	32.2	-36.2	0	0	0	113	K518	K518-P520 CarbonylContact C-O 3.58Å; K518-P520 CarbonylContact O-C 3.58Å
521	L	94.9	Very high	94.8	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.052	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-72.7	137.6	178.7	-171.4	63.1	0	0	0	112	F362 Y365 L523 P531 I535	F362-L521 HydrophobicContact CD1-CD2 3.85Å; F362-L521 HydrophobicContact CE1-CD2 3.63Å; Y365-L521 HydrophobicContact CD1-CD2 4.27Å; Y365-L521 HydrophobicContact CE1-CB 3.98Å; Y365-L521 HydrophobicContact CE1-CD2 4.43Å; Y365-L521 HydrophobicContact CE2-CB 4.21Å; Y365-L521 HydrophobicContact CG-CD2 4.35Å; Y365-L521 PolarHBondContact OH-N 2.95Å; Y365-L521 VanDerWaalsContact OH-N 3.16Å; L521-L523 HydrophobicContact CD2-CD2 4.26Å; L521-L523 HydrophobicContact CG-CD2 4.36Å; L521-P531 HydrophobicContact CD2-CB 4.29Å; L521-I535 HydrophobicContact CD2-CD1 4.09Å; L521-I535 HydrophobicContact CD2-CG1 4.08Å; L521-I535 HydrophobicContact CD1-CG1 4.3Å
522	D	95.1	Very high	94.6	Very high	61 Å²	61	54.6 Å²	54.6	33%	0.326	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-77.2	129.2	171	-74.3	-38.6	0	0	0	110.8	K518 K532	K518-D522 HydrophobicContact CD-CB 4.48Å; K518-D522 WeakPolarHBondContact CD-OD2 3.49Å; K518-D522 IonicContact NZ-OD2 3.2Å; K518-D522 PolarHBondContact NZ-OD2 2.87Å; D522-K532 HydrophobicContact CB-CB 3.97Å; D522-K532 HydrophobicContact CB-CD 4.26Å; D522-K532 WeakPolarHBondContact O-CB 3.34Å; D522-K532 PolarHBondContact O-N 3.09Å
523	L	95.6	Very high	94.3	Very high	32 Å²	32	54.6 Å²	54.6	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.4	-174.4	-57.4	175.7	0	0	0	112.3	F68 F362 Y413 L521 L529 G530	F68-L523 HydrophobicContact CD1-CD1 4.33Å; F68-L523 HydrophobicContact CE1-CD1 4.32Å; F362-L523 HydrophobicContact CE1-CD2 3.69Å; F362-L523 HydrophobicContact CZ-CD2 3.89Å; Y413-L523 HydrophobicContact CD1-CD1 4.07Å; Y413-L523 HydrophobicContact CD1-CD2 4.18Å; Y413-L523 HydrophobicContact CE1-CD1 4Å; Y413-L523 HydrophobicContact CE1-CD2 4.24Å; L521-L523 HydrophobicContact CD2-CD2 4.26Å; L521-L523 HydrophobicContact CG-CD2 4.36Å; L523-L529 HydrophobicContact CB-CD1 4.23Å; L523-L529 HydrophobicContact CD1-CD1 4.11Å; L523-G530 WeakPolarHBondContact CA-O 3.36Å
524	K	93.6	Very high	94.2	Very high	65 Å²	65	51.8 Å²	51.8	28%	0.283	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.7	160.1	65.9	176.4	-171.6	174.2	0	108.9	E354 L529 G530	E354-K524 IonicContact OE1-NZ 3.71Å; E354-K524 PolarHBondContact OE1-NZ 3.44Å; K524-L529 WeakPolarHBondContact O-CA 3.37Å; K524-G530 VanDerWaalsContact O-N 3.08Å; K524-G530 PolarHBondContact O-N 3.12Å; K524-G530 WeakPolarHBondContact CG-O 3.34Å; K524-G530 PolarHBondContact N-O 3.41Å
525	S	93.6	Very high	94.3	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	48.5	-177.5	63.1	0	0	0	0	113	G66 F67 F68 F417	G66-S525 VanDerWaalsContact CA-OG 3.31Å; G66-S525 WeakPolarHBondContact CA-OG 3.34Å; F67-S525 PolarHBondContact N-O 3.41Å; F67-S525 PolarHBondContact N-OG 2.89Å; F68-S525 VanDerWaalsContact CB-CB 3.49Å; F68-S525 PolarHBondContact N-OG 2.92Å; F68-S525 VanDerWaalsContact N-OG 3.15Å; F417-S525 WeakPolarHBondContact CZ-O 3.44Å
526	S	85.9	Confident	94.4	Very high	42 Å²	42	48.8 Å²	48.8	29%	0.294	26%	0.26	S	S	.	.	S	Bend	trans	-88.8	-68	178	53.2	0	0	0	0	111.7
527	S	85.4	Confident	94.4	Very high	60 Å²	60	44 Å²	44	42%	0.42	24%	0.237	S	C	.	.	S	Bend	trans	-99.1	-52.7	-179.3	-59.6	0	0	0	0	111.6
528	T	92.8	Very high	94.4	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.086	25%	0.247	C	C	.	.	S	Bend	trans	-121.6	161	172.4	57.5	0	0	0	0	108.6	F221 E354 T355 P415	F221-T528 HydrophobicContact CE1-CG2 4.34Å; E354-T528 VanDerWaalsContact OE2-CG2 3.31Å; E354-T528 WeakPolarHBondContact OE2-CG2 3.49Å; E354-T528 PolarHBondContact OE2-OG1 2.69Å; T355-T528 HydrophobicContact CG2-CG2 4.25Å; P415-T528 WeakPolarHBondContact O-CA 3.38Å
529	L	95.8	Very high	94.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.5	164	-166.1	67.5	0	0	0	108.3	F68 N358 Y413 P414 P415 F417 L523 K524	F68-L529 HydrophobicContact CB-CD1 3.94Å; F68-L529 HydrophobicContact CD1-CD1 4.1Å; F68-L529 HydrophobicContact CD2-CD1 3.92Å; F68-L529 HydrophobicContact CD2-CD2 4.04Å; F68-L529 HydrophobicContact CE1-CD2 4.41Å; F68-L529 HydrophobicContact CE2-CD1 4.43Å; F68-L529 HydrophobicContact CE2-CD2 3.73Å; F68-L529 HydrophobicContact CG-CD1 3.74Å; F68-L529 HydrophobicContact CG-CD2 4.49Å; F68-L529 HydrophobicContact CZ-CD2 3.94Å; N358-L529 PolarHBondContact ND2-O 3.22Å; Y413-L529 HydrophobicContact CD1-CD2 4.45Å; P414-L529 HydrophobicContact CG-CD2 4.49Å; P414-L529 WeakPolarHBondContact O-CB 3.19Å; P415-L529 PolarHBondContact O-N 2.66Å; F417-L529 HydrophobicContact CB-CB 4.42Å; F417-L529 HydrophobicContact CD1-CB 3.8Å; F417-L529 HydrophobicContact CG-CB 4.4Å; L523-L529 HydrophobicContact CB-CD1 4.23Å; L523-L529 HydrophobicContact CD1-CD1 4.11Å; K524-L529 WeakPolarHBondContact O-CA 3.37Å
530	G	95.4	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	169.6	180	0	0	0	0	0	111.9	F362 L523 K524	F362-G530 VanDerWaalsContact CZ-CA 3.48Å; L523-G530 WeakPolarHBondContact CA-O 3.36Å; K524-G530 VanDerWaalsContact O-N 3.08Å; K524-G530 PolarHBondContact O-N 3.12Å; K524-G530 WeakPolarHBondContact CG-O 3.34Å; K524-G530 PolarHBondContact N-O 3.41Å
531	P	95.5	Very high	94.6	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	136.3	171.1	28.3	-33.8	0	0	0	109.9	H183 L521 G534 I535	H183-P531 HydrophobicContact CB-CG 4.29Å; L521-P531 HydrophobicContact CD2-CB 4.29Å; P531-G534 WeakPolarHBondContact CB-O 3.49Å; P531-I535 HydrophobicContact CB-CD1 4.18Å; P531-I535 HydrophobicContact CB-CG1 3.7Å; P531-I535 HydrophobicContact CG-CD1 4.12Å; P531-I535 HydrophobicContact CG-CG1 3.96Å
532	K	93.3	Very high	94.5	Very high	130 Å²	130	40.4 Å²	40.4	57%	0.565	21%	0.205	S	C	*	.	S	Bend	trans	-69.6	-44.8	-179.6	-173.3	-176	174.6	-175.4	0	111.7	D522	D522-K532 HydrophobicContact CB-CB 3.97Å; D522-K532 HydrophobicContact CB-CD 4.26Å; D522-K532 WeakPolarHBondContact O-CB 3.34Å; D522-K532 PolarHBondContact O-N 3.09Å
533	D	92.6	Very high	93.4	Very high	84 Å²	84	41.6 Å²	41.6	45%	0.449	23%	0.231	S	C	.	.	S	Bend	trans	-121.6	25	-172.2	-52.1	-44.3	0	0	0	112.3	K518 Y536	K518-D533 IonicContact NZ-OD2 3.26Å; K518-D533 PolarHBondContact NZ-OD2 3.32Å; D533-Y536 WeakPolarHBondContact O-CE2 3.42Å
534	G	95	Very high	91.7	Very high	12 Å²	12	46 Å²	46	12%	0.124	25%	0.246	C	C	.	.			trans	79.7	-173.6	-172.6	0	0	0	0	0	113.5	D181 P531	D181-G534 WeakPolarHBondContact OD1-CA 3.29Å; P531-G534 WeakPolarHBondContact CB-O 3.49Å
535	I	97.9	Very high	89.1	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.272	C	S	.	.			trans	-129.4	100.4	-180	-61.2	176.3	0	0	0	108.3	D181 I182 H183 G361 F362 Y365 L521 P531 V537	D181-I535 WeakPolarHBondContact CA-O 3.47Å; D181-I535 PolarHBondContact OD1-N 3.02Å; I182-I535 HydrophobicContact CG2-CB 4.2Å; I182-I535 HydrophobicContact CG2-CG2 4.04Å; I182-I535 PolarHBondContact N-O 2.85Å; H183-I535 HydrophobicContact CB-CB 4.19Å; H183-I535 HydrophobicContact CB-CD1 4.42Å; H183-I535 HydrophobicContact CB-CG1 4.23Å; G361-I535 WeakPolarHBondContact O-CD1 3.03Å; F362-I535 HydrophobicContact CD1-CD1 4.24Å; Y365-I535 HydrophobicContact CD2-CG2 4.32Å; L521-I535 HydrophobicContact CD2-CD1 4.09Å; L521-I535 HydrophobicContact CD2-CG1 4.08Å; L521-I535 HydrophobicContact CD1-CG1 4.3Å; P531-I535 HydrophobicContact CB-CD1 4.18Å; P531-I535 HydrophobicContact CB-CG1 3.7Å; P531-I535 HydrophobicContact CG-CD1 4.12Å; P531-I535 HydrophobicContact CG-CG1 3.96Å; I535-V537 HydrophobicContact CG2-CG1 4.13Å
536	Y	98.1	Very high	86.3	Confident	91 Å²	91	55 Å²	55	36%	0.357	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.1	179.5	-73.5	-102.5	0	0	0	110.8	F180 D181 E516 T517 D533	F180-Y536 WeakPolarHBondContact O-CA 3.35Å; D181-Y536 HydrophobicContact CB-CD2 4.48Å; D181-Y536 HydrophobicContact CB-CE1 4.28Å; D181-Y536 HydrophobicContact CB-CE2 4.1Å; E516-Y536 HydrophobicContact CB-CD1 4.46Å; E516-Y536 HydrophobicContact CB-CG 4.29Å; E516-Y536 WeakPolarHBondContact OE2-CD1 3.34Å; T517-Y536 WeakPolarHBondContact CA-O 3.23Å; T517-Y536 WeakPolarHBondContact CB-O 3.44Å; T517-Y536 PolarHBondContact OG1-O 3.16Å; D533-Y536 WeakPolarHBondContact O-CE2 3.42Å
537	V	98.1	Very high	83.8	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	165.7	178.8	-66.2	0	0	0	0	110.1	A179 F180 I182 I511 I535 I539	A179-V537 WeakPolarHBondContact CA-O 3.37Å; F180-V537 HydrophobicContact CE1-CG2 4.38Å; F180-V537 PolarHBondContact N-O 3.17Å; F180-V537 PolarHBondContact O-N 3.15Å; F180-V537 VanDerWaalsContact O-N 3.09Å; I182-V537 HydrophobicContact CB-CG2 3.7Å; I182-V537 HydrophobicContact CD1-CG2 4.12Å; I182-V537 HydrophobicContact CG1-CG2 4.46Å; I182-V537 HydrophobicContact CG2-CG2 3.72Å; I511-V537 HydrophobicContact CG2-CB 3.8Å; I511-V537 HydrophobicContact CG2-CG1 3.95Å; I511-V537 HydrophobicContact CG2-CG2 3.91Å; I535-V537 HydrophobicContact CG2-CG1 4.13Å; V537-I539 HydrophobicContact CG2-CG2 4.47Å
538	K	97.8	Very high	81.2	Confident	71 Å²	71	67.7 Å²	67.7	31%	0.309	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.3	163.6	-175.6	179.9	174.8	-173	0	108.5	G177 E512 C514	G177-K538 VanDerWaalsContact O-CE 3.23Å; G177-K538 WeakPolarHBondContact O-CE 3.24Å; E512-K538 PolarHBondContact N-O 2.81Å; E512-K538 PolarHBondContact O-N 3.39Å; C514-K538 HydrophobicContact CB-CB 4.39Å
539	I	97.4	Very high	78.4	Confident	2 Å²	2	71.7 Å²	71.7	1%	0.01	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.7	169.4	66.1	177.1	0	0	0	110.3	L170 H173 A174 F180 F509 N510 I511 V537	L170-I539 HydrophobicContact CB-CD1 3.74Å; L170-I539 HydrophobicContact CD2-CD1 4.04Å; L170-I539 HydrophobicContact CG-CD1 4.38Å; L170-I539 VanDerWaalsContact O-CD1 3.23Å; L170-I539 WeakPolarHBondContact O-CD1 3.34Å; H173-I539 HydrophobicContact CB-CD1 4.03Å; H173-I539 HydrophobicContact CB-CG1 4.3Å; A174-I539 HydrophobicContact CB-CD1 4.17Å; A174-I539 HydrophobicContact CB-CG1 3.94Å; F180-I539 HydrophobicContact CE1-CB 4.42Å; F180-I539 HydrophobicContact CE1-CD1 3.98Å; F180-I539 HydrophobicContact CE1-CG1 3.81Å; F180-I539 HydrophobicContact CE1-CG2 3.97Å; F180-I539 HydrophobicContact CZ-CD1 3.84Å; F180-I539 HydrophobicContact CZ-CG1 4.17Å; F180-I539 HydrophobicContact CZ-CG2 4.08Å; F509-I539 HydrophobicContact CD1-CD1 4.47Å; N510-I539 WeakPolarHBondContact O-CA 3.34Å; N510-I539 WeakPolarHBondContact O-CB 3.44Å; I511-I539 HydrophobicContact CG2-CG2 4.3Å; I511-I539 HydrophobicContact CG1-CG2 3.96Å; I511-I539 HydrophobicContact CB-CG2 4.38Å; V537-I539 HydrophobicContact CG2-CG2 4.47Å
540	T	96.9	Very high	75.1	Confident	36 Å²	36	76.4 Å²	76.4	22%	0.221	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.9	174.6	69.6	0	0	0	0	109.7	F509 N510	F509-T540 CarbonylContact C-O 3.52Å; F509-T540 VanDerWaalsContact CA-O 3.28Å; F509-T540 WeakPolarHBondContact CA-O 3.26Å; N510-T540 PolarHBondContact N-O 2.93Å; N510-T540 PolarHBondContact ND2-OG1 3.06Å; N510-T540 PolarHBondContact O-N 3.21Å
541	H	96.7	Very high	72.3	Confident	90 Å²	90	81.7 Å²	81.7	42%	0.417	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	143.3	168.5	-69.5	-75	0	0	0	110.8	D175 F509 G543	D175-H541 IonicContact OD1-CD2 3.54Å; D175-H541 IonicContact OD1-CE1 3.23Å; D175-H541 IonicContact OD1-NE2 2.72Å; D175-H541 PolarHBondContact OD1-NE2 2.92Å; F509-H541 AromaticContact CE1-CE1 3.93Å; F509-H541 AromaticContact CE1-ND1 3.75Å; H541-G543 PolarHBondContact O-N 2.86Å
542	R	92.8	Very high	69.4	Low	43 Å²	43	86.4 Å²	86.4	16%	0.162	48%	0.483	C	S	.	.			trans	-77.6	120.5	167.8	-69.8	-176.2	68.8	-140.7	-9.4	108.3	D382 F506 H507 R508 F509 N510 R544	D382-R542 IonicContact OD1-CZ 3.62Å; D382-R542 IonicContact OD1-NH1 3.73Å; D382-R542 PolarHBondContact OD1-NH1 3.38Å; D382-R542 IonicContact OD1-NH2 3.92Å; D382-R542 IonicContact OD2-CZ 3.79Å; D382-R542 IonicContact OD2-NH1 2.87Å; D382-R542 PolarHBondContact OD2-NH1 3.34Å; D382-R542 IonicContact OD2-NH2 2.61Å; D382-R542 PolarHBondContact OD2-NH2 3.28Å; F506-R542 WeakPolarHBondContact O-CD 3.49Å; F506-R542 PolarHBondContact O-NH1 3.5Å; H507-R542 WeakPolarHBondContact O-CD 2.92Å; H507-R542 PolarHBondContact O-NH1 3.44Å; H507-R542 VanDerWaalsContact O-NH1 3.11Å; R508-R542 PolarHBondContact O-N 3.11Å; F509-R542 VanDerWaalsContact C-CG 3.46Å; F509-R542 WeakPolarHBondContact O-CD 3.48Å; N510-R542 WeakPolarHBondContact OD1-CG 3.34Å; R542-R544 PolarHBondContact O-N 2.81Å; R542-R544 VanDerWaalsContact C-N 3.33Å
543	G	71	Confident	66.7	Low	86 Å²	86	87.8 Å²	87.8	89%	0.887	50%	0.496	S	S	*	.			trans	-64.9	92.9	173.2	0	0	0	0	0	109.6	H541	H541-G543 PolarHBondContact O-N 2.86Å
544	R	60.3	Low	64.2	Low	125 Å²	125	91 Å²	91	47%	0.472	51%	0.513	S	S	.	.			trans	-94.8	113.5	167.6	-62.2	-170.8	-159.6	171.9	10.7	106.9	H507 R542 A546	H507-R544 PolarHBondContact CE1-NH1 2.99Å; H507-R544 PolarHBondContact CD2-NH2 3.02Å; H507-R544 PolarHBondContact O-NH2 2.77Å; H507-R544 PolarHBondContact NE2-NH2 3.43Å; H507-R544 PolarHBondContact NE2-NH1 2.76Å; H507-R544 PolarHBondContact ND1-NH2 3.12Å; H507-R544 VanDerWaalsContact NE2-CZ 3.34Å; H507-R544 PolarHBondContact CE1-NH2 2.84Å; R542-R544 PolarHBondContact O-N 2.81Å; R542-R544 VanDerWaalsContact C-N 3.33Å; R544-A546 PolarHBondContact O-N 3Å; R544-A546 VanDerWaalsContact O-N 3.09Å
545	E	38.8	Very low	61.5	Low	178 Å²	178	99.4 Å²	99.4	83%	0.832	55%	0.549	S	S	*	.			trans	-50	122.8	158	-74	-178.7	163.2	0	0	107.1	Q547	E545-Q547 PolarHBondContact O-N 2.82Å
546	A	34.3	Very low	58.6	Low	86 Å²	86	108.6 Å²	108.6	71%	0.711	59%	0.589	S	S	*	*			trans	-62.3	90.1	171.4	0	0	0	0	0	107.9	R544 K548	R544-A546 PolarHBondContact O-N 3Å; R544-A546 VanDerWaalsContact O-N 3.09Å; A546-K548 PolarHBondContact O-N 3.42Å
547	Q	33.7	Very low	55.6	Low	187 Å²	187	112.5 Å²	112.5	87%	0.874	62%	0.615	S	S	*	*			trans	-70.9	60	152.8	-80.5	175.5	-4.7	0	0	108.1	E545	E545-Q547 PolarHBondContact O-N 2.82Å
548	K	31	Very low	52.6	Low	180 Å²	180	117.6 Å²	117.6	78%	0.783	65%	0.651	S	S	*	*			trans	-73.2	115.9	143.5	-84.2	-178	175.6	178.5	0	103.8	A546 S550	A546-K548 PolarHBondContact O-N 3.42Å; K548-S550 VanDerWaalsContact C-N 3.26Å; K548-S550 PolarHBondContact O-N 3.49Å
549	A	34.6	Very low	49.5	Very low	99 Å²	99	120.2 Å²	120.2	82%	0.818	68%	0.677	S	S	*	*			trans	-51.9	101.9	157.9	0	0	0	0	0	107.1
550	S	26.8	Very low	46.5	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	71%	0.714	S	S	*	*			trans	-59.9	128.5	154.4	47.1	0	0	0	0	105.6	K548 S552	K548-S550 VanDerWaalsContact C-N 3.26Å; K548-S550 PolarHBondContact O-N 3.49Å; S550-S552 PolarHBondContact O-N 3.37Å; S550-S552 VanDerWaalsContact O-N 3.16Å
551	P	35.9	Very low	43.9	Very low	111 Å²	111	130.8 Å²	130.8	72%	0.721	74%	0.738	S	S	*	*			trans	-56.9	126.9	163.3	-0.8	14.3	0	0	0	105.7	D553	P551-D553 PolarHBondContact O-N 3.46Å
552	S	34.9	Very low	41.3	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	76%	0.756	S	S	*	*			trans	-57.3	104.4	167.9	47.4	0	0	0	0	107.7	S550 D554	S550-S552 PolarHBondContact O-N 3.37Å; S550-S552 VanDerWaalsContact O-N 3.16Å; S552-D554 PolarHBondContact O-N 3.04Å
553	D	35.1	Very low	38.8	Very low	158 Å²	158	134.1 Å²	134.1	85%	0.845	78%	0.783	S	S	*	*			trans	-68.5	74.5	159	-80.4	-34.7	0	0	0	107.4	P551	P551-D553 PolarHBondContact O-N 3.46Å
554	D	40.1	Very low	37.2	Very low	153 Å²	153	145.6 Å²	145.6	82%	0.818	80%	0.8	S	S	*	*			trans	-149.7	55.6	170.1	-101	-22.9	0	0	0	108.8	S552	S552-D554 PolarHBondContact O-N 3.04Å
555	E	38.3	Very low	36.1	Very low	187 Å²	187	146.6 Å²	146.6	87%	0.874	82%	0.816	S	S	*	*			trans	-156.6	51.8	160.3	-133.3	179	-158.2	0	0	112.6
556	K	38.6	Very low	36	Very low	196 Å²	196	144.9 Å²	144.9	85%	0.852	82%	0.816	S	S	*	*			trans	-147.2	86.4	159.1	-89.1	-174.2	-176.7	171	0	109.3
557	L	35.2	Very low	36	Very low	172 Å²	172	148.2 Å²	148.2	90%	0.901	82%	0.821	S	S	*	*			trans	-169.6	140.9	135	-122.6	81.5	0	0	0	110.6
558	S	34.2	Very low	36.2	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	82%	0.818	S	S	*	*			trans	70.3	100	167.6	76.7	0	0	0	0	118.7
559	C	31.9	Very low	36.5	Very low	127 Å²	127	143.8 Å²	143.8	86%	0.858	82%	0.821	S	S	*	*				176.7	95.7	101.7	-97.4	0	0	0	0	110.9
560	D	36	Very low	36.6	Very low	146 Å²	146	146.8 Å²	146.8	78%	0.781	82%	0.821	S	S	*	*			trans	-154.4	115.4	142.6	-162.4	-9	0	0	0	108.8	S562	D560-S562 PolarHBondContact OD1-N 3.11Å
561	P	41.7	Very low	37.3	Very low	114 Å²	114	150.2 Å²	150.2	74%	0.74	83%	0.83	S	S	*	*			trans	-129.8	113.7	133.7	31.7	-18.5	0	0	0	110.6	A563	P561-A563 PolarHBondContact O-N 3.21Å
562	S	41.3	Very low	37.4	Very low	112 Å²	112	153.2 Å²	153.2	78%	0.783	84%	0.838	S	S	*	*			trans	-32.7	106.6	150	59	0	0	0	0	112.5	D560	D560-S562 PolarHBondContact OD1-N 3.11Å
563	A	41.1	Very low	37.7	Very low	90 Å²	90	157.4 Å²	157.4	74%	0.744	85%	0.848	S	S	*	*			trans	-161.1	73.9	159.8	0	0	0	0	0	111	P561	P561-A563 PolarHBondContact O-N 3.21Å
564	R	38.4	Very low	37.9	Very low	327 Å²	327	157.4 Å²	157.4	100%	1.234	85%	0.848	S	S	*	*			trans	172.4	0	131.3	-95.6	176.3	-168	-161.7	3.8	111.6

Retrieved 564 of 564 residues in 1194.6 ms (Link to these results)

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