A0A096M916_POEFO Loading...

Cholinergic receptor, nicotinic, epsilon

After binding acetylcholine, the AChR responds by an extensive change in conformation that affects all subunits and leads to opening of an ion-conducting channel across the plasma membrane.

AlphaFold DB , UniProt , Accession A0A096M916, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 517 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	53.7	Low	58.2	Low	220 Å²	220	130.3 Å²	130.3	100%	1.084	68%	0.683	S	S	*	*				0	-34.1	0	-146	165.2	177.5	0	0	112.8	L3	M1-L3 PolarHBondContact O-N 2.97Å
2	A	54.8	Low	58.6	Low	78 Å²	78	131.3 Å²	131.3	65%	0.645	68%	0.678	S	S	*	*	H	α-helix	trans	-66.7	-31.6	-178.9	0	0	0	0	0	116.3	R4 C5	A2-R4 PolarHBondContact O-N 3.02Å; A2-C5 PolarHBondContact O-N 3.02Å
3	L	55.1	Low	58.7	Low	164 Å²	164	129.3 Å²	129.3	86%	0.859	67%	0.669	S	S	*	*	H	α-helix	trans	-70.8	-25.6	-178.2	-114.9	79.1	0	0	0	114.3	M1	M1-L3 PolarHBondContact O-N 2.97Å
4	R	55	Low	58.8	Low	217 Å²	217	124.4 Å²	124.4	82%	0.819	66%	0.657	S	S	*	*	H	α-helix	trans	-78.1	-28.1	178.8	-76	-172.3	172.8	-172	-2.5	112.5	A2 I8	A2-R4 PolarHBondContact O-N 3.02Å; R4-I8 WeakPolarHBondContact O-CD1 3.47Å; R4-I8 WeakPolarHBondContact O-CG1 3.34Å; R4-I8 PolarHBondContact O-N 2.9Å
5	C	55.3	Low	58.8	Low	89 Å²	89	119.5 Å²	119.5	60%	0.601	64%	0.641	S	S	*	*	H	α-helix	trans	-73.5	-33.7	176.6	-71.4	0	0	0	0	112.8	A2 I8 F9	A2-C5 PolarHBondContact O-N 3.02Å; C5-I8 PolarHBondContact O-N 3.43Å; C5-F9 PolarHBondContact O-N 2.9Å; C5-F9 VanDerWaalsContact O-N 3.11Å
6	L	57.7	Low	58.6	Low	118 Å²	118	119 Å²	119	62%	0.618	64%	0.637	S	S	*	*	H	α-helix	trans	-68.5	-38.3	178.8	-124.9	98.4	0	0	0	112.4	F9 F10	L6-F9 PolarHBondContact O-N 3.46Å; L6-F10 PolarHBondContact O-N 2.97Å; L6-F10 VanDerWaalsContact O-N 3.07Å
7	G	59.4	Low	58.4	Low	40 Å²	40	114.6 Å²	114.6	41%	0.412	63%	0.627	S	S	.	*	H	α-helix	trans	-66.7	-37.9	177.1	0	0	0	0	0	112.9	V11	G7-V11 WeakPolarHBondContact O-CB 3.05Å; G7-V11 VanDerWaalsContact O-CG2 3.23Å; G7-V11 WeakPolarHBondContact O-CG2 3.29Å; G7-V11 PolarHBondContact O-N 3.41Å; G7-V11 VanDerWaalsContact O-N 3.08Å
8	I	61	Low	58.1	Low	114 Å²	114	114.1 Å²	114.1	59%	0.585	63%	0.628	S	S	*	*	H	α-helix	trans	-70.6	-37.4	177	-62.6	166	0	0	0	110.6	R4 C5 V11 F12	R4-I8 WeakPolarHBondContact O-CD1 3.47Å; R4-I8 WeakPolarHBondContact O-CG1 3.34Å; R4-I8 PolarHBondContact O-N 2.9Å; C5-I8 PolarHBondContact O-N 3.43Å; I8-V11 PolarHBondContact O-N 3.07Å; I8-F12 WeakPolarHBondContact O-CB 3.18Å; I8-F12 PolarHBondContact O-N 3.28Å
9	F	62.6	Low	57.7	Low	140 Å²	140	115.6 Å²	115.6	61%	0.614	64%	0.635	S	S	*	*	H	α-helix	trans	-66.8	-40.1	177.3	-161.1	-100.4	0	0	0	112.6	C5 L6 F12 L13	C5-F9 PolarHBondContact O-N 2.9Å; C5-F9 VanDerWaalsContact O-N 3.11Å; L6-F9 PolarHBondContact O-N 3.46Å; F9-F12 PolarHBondContact O-N 3.1Å; F9-L13 HydrophobicContact CD1-CD1 3.57Å; F9-L13 HydrophobicContact CE1-CD1 3.24Å; F9-L13 HydrophobicContact CG-CD1 4.45Å; F9-L13 HydrophobicContact CZ-CD1 3.89Å; F9-L13 WeakPolarHBondContact O-CB 3.33Å; F9-L13 PolarHBondContact O-N 3.42Å
10	F	60.8	Low	57.5	Low	150 Å²	150	115.7 Å²	115.7	66%	0.658	64%	0.638	S	S	*	*	H	α-helix	trans	-69.5	-36.6	175.2	-103.2	-85.5	0	0	0	113.1	L6 A14	L6-F10 PolarHBondContact O-N 2.97Å; L6-F10 VanDerWaalsContact O-N 3.07Å; F10-A14 VanDerWaalsContact O-CB 3.28Å; F10-A14 WeakPolarHBondContact O-CB 3.47Å; F10-A14 PolarHBondContact O-N 3.37Å
11	V	64.6	Low	57.1	Low	103 Å²	103	114.4 Å²	114.4	62%	0.624	64%	0.638	S	S	*	*	H	α-helix	trans	-68.9	-36.3	174.4	172.6	0	0	0	0	111	G7 I8 A15	G7-V11 WeakPolarHBondContact O-CB 3.05Å; G7-V11 VanDerWaalsContact O-CG2 3.23Å; G7-V11 WeakPolarHBondContact O-CG2 3.29Å; G7-V11 PolarHBondContact O-N 3.41Å; G7-V11 VanDerWaalsContact O-N 3.08Å; I8-V11 PolarHBondContact O-N 3.07Å; V11-A15 VanDerWaalsContact O-CB 3.25Å; V11-A15 WeakPolarHBondContact O-CB 3.42Å; V11-A15 PolarHBondContact O-N 3.49Å
12	F	62.6	Low	57.1	Low	142 Å²	142	111.2 Å²	111.2	62%	0.623	62%	0.624	S	S	*	*	H	α-helix	trans	-70.3	-38.4	175.9	-142.2	-92	0	0	0	112.3	I8 F9 A15 L16	I8-F12 WeakPolarHBondContact O-CB 3.18Å; I8-F12 PolarHBondContact O-N 3.28Å; F9-F12 PolarHBondContact O-N 3.1Å; F12-A15 PolarHBondContact O-N 3.35Å; F12-L16 HydrophobicContact CD1-CD1 4.15Å; F12-L16 HydrophobicContact CE1-CD1 3.98Å; F12-L16 WeakPolarHBondContact O-CB 3.24Å; F12-L16 PolarHBondContact O-N 3.24Å
13	L	61	Low	57.1	Low	106 Å²	106	113.4 Å²	113.4	56%	0.555	63%	0.629	S	S	*	*	H	α-helix	trans	-69.2	-36.3	173.3	-107.2	128.8	0	0	0	112.8	F9 G17	F9-L13 HydrophobicContact CD1-CD1 3.57Å; F9-L13 HydrophobicContact CE1-CD1 3.24Å; F9-L13 HydrophobicContact CG-CD1 4.45Å; F9-L13 HydrophobicContact CZ-CD1 3.89Å; F9-L13 WeakPolarHBondContact O-CB 3.33Å; F9-L13 PolarHBondContact O-N 3.42Å; L13-G17 PolarHBondContact O-N 3.46Å
14	A	60.2	Low	57.2	Low	60 Å²	60	112.1 Å²	112.1	50%	0.496	63%	0.628	S	S	.	*	H	α-helix	trans	-68.8	-37.6	173.4	0	0	0	0	0	111.7	F10 G17 T18	F10-A14 VanDerWaalsContact O-CB 3.28Å; F10-A14 WeakPolarHBondContact O-CB 3.47Å; F10-A14 PolarHBondContact O-N 3.37Å; A14-G17 PolarHBondContact O-N 3.29Å; A14-T18 WeakPolarHBondContact O-CG2 3.43Å; A14-T18 PolarHBondContact O-N 3.12Å; A14-T18 PolarHBondContact O-OG1 3.5Å; A14-T18 VanDerWaalsContact O-OG1 3.07Å
15	A	57.4	Low	57.5	Low	51 Å²	51	105.6 Å²	105.6	42%	0.421	62%	0.615	S	S	.	*	H	α-helix	trans	-73.5	-31.1	175.4	0	0	0	0	0	113.3	V11 F12 T18	V11-A15 VanDerWaalsContact O-CB 3.25Å; V11-A15 WeakPolarHBondContact O-CB 3.42Å; V11-A15 PolarHBondContact O-N 3.49Å; F12-A15 PolarHBondContact O-N 3.35Å; A15-T18 PolarHBondContact O-OG1 3.46Å
16	L	56.7	Low	58.6	Low	112 Å²	112	105.3 Å²	105.3	59%	0.586	61%	0.607	S	S	*	*	H	α-helix	trans	-72.9	-36.5	170.4	-122.2	75.6	0	0	0	111.5	F12 L19	F12-L16 HydrophobicContact CD1-CD1 4.15Å; F12-L16 HydrophobicContact CE1-CD1 3.98Å; F12-L16 WeakPolarHBondContact O-CB 3.24Å; F12-L16 PolarHBondContact O-N 3.24Å; L16-L19 PolarHBondContact O-N 2.87Å
17	G	55.2	Low	59.8	Low	45 Å²	45	102.7 Å²	102.7	46%	0.464	59%	0.592	S	S	.	*	H	α-helix	trans	-72.7	-25.5	179	0	0	0	0	0	114.4	L13 A14	L13-G17 PolarHBondContact O-N 3.46Å; A14-G17 PolarHBondContact O-N 3.29Å
18	T	52.4	Low	61	Low	105 Å²	105	104 Å²	104	64%	0.644	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-9.8	175.1	52.2	0	0	0	0	114	A14 A15	A14-T18 WeakPolarHBondContact O-CG2 3.43Å; A14-T18 PolarHBondContact O-N 3.12Å; A14-T18 PolarHBondContact O-OG1 3.5Å; A14-T18 VanDerWaalsContact O-OG1 3.07Å; A15-T18 PolarHBondContact O-OG1 3.46Å
19	L	51.5	Low	62.3	Low	143 Å²	143	101.8 Å²	101.8	75%	0.749	58%	0.582	S	S	*	*	S	Bend	trans	-89	-7.1	172.8	-112.2	99.4	0	0	0	113.9	L16	L16-L19 PolarHBondContact O-N 2.87Å
20	T	52.6	Low	63.6	Low	116 Å²	116	100.6 Å²	100.6	71%	0.712	58%	0.576	S	S	*	*	S	Bend	trans	-116.8	37.8	-177.2	59.8	0	0	0	0	113.2
21	S	49.7	Very low	65.1	Low	90 Å²	90	93.4 Å²	93.4	63%	0.629	55%	0.545	S	S	*	.			trans	-118.8	58.3	155.7	66.2	0	0	0	0	109.4	V23	S21-V23 PolarHBondContact O-N 3.08Å
22	L	53.2	Low	66.4	Low	152 Å²	152	91.2 Å²	91.2	80%	0.796	53%	0.529	S	S	*	.			trans	-59.2	100.3	149.3	-90.1	155.3	0	0	0	105.5	V24	L22-V24 PolarHBondContact O-N 3.31Å
23	V	55.4	Low	67.8	Low	124 Å²	124	91.7 Å²	91.7	75%	0.752	53%	0.528	S	S	*	.			trans	-58.4	99	162	176.2	0	0	0	0	104.6	S21 C25	S21-V23 PolarHBondContact O-N 3.08Å; V23-C25 PolarHBondContact O-N 3.01Å
24	V	56.8	Low	69.3	Low	137 Å²	137	90 Å²	90	83%	0.83	52%	0.519	S	S	*	.			trans	-68.7	84.4	170.1	-178.6	0	0	0	0	105	L22	L22-V24 PolarHBondContact O-N 3.31Å
25	C	60.9	Low	70.8	Confident	81 Å²	81	88.3 Å²	88.3	55%	0.547	50%	0.502	S	S	.	.			trans	-67	134	169.4	-150.1	0	0	0	0	106.1	V23 E27	V23-C25 PolarHBondContact O-N 3.01Å; C25-E27 PolarHBondContact O-N 2.93Å
26	N	78	Confident	72.6	Confident	82 Å²	82	88.1 Å²	88.1	44%	0.439	49%	0.492	S	S	.	.			trans	-62.2	116.1	176.8	-174.5	2.5	0	0	0	107.8	E28 S29	N26-E28 PolarHBondContact ND2-OE2 3.35Å; N26-E28 PolarHBondContact O-N 3.44Å; N26-E28 VanDerWaalsContact O-N 3.16Å; N26-E28 WeakPolarHBondContact OD1-CB 3.39Å; N26-E28 PolarHBondContact OD1-N 3.16Å; N26-S29 WeakPolarHBondContact O-CA 3.36Å; N26-S29 VanDerWaalsContact O-CB 3.25Å; N26-S29 WeakPolarHBondContact O-CB 3.36Å; N26-S29 PolarHBondContact O-N 2.75Å
27	E	82.8	Confident	74.2	Confident	63 Å²	63	89.5 Å²	89.5	29%	0.294	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-24.1	-179.4	-66.4	-65.6	151.5	0	0	111.4	C25 S29 K30 L31 H97 I99	C25-E27 PolarHBondContact O-N 2.93Å; E27-S29 VanDerWaalsContact C-N 3.28Å; E27-S29 PolarHBondContact O-N 2.97Å; E27-K30 PolarHBondContact O-N 3.41Å; E27-L31 PolarHBondContact O-N 3.13Å; E27-H97 IonicContact OE2-CD2 3.33Å; E27-I99 HydrophobicContact CB-CD1 4.16Å
28	E	86.6	Confident	75.9	Confident	68 Å²	68	94.7 Å²	94.7	32%	0.318	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-35.7	169.4	-64.6	179.3	153.2	0	0	112.3	N26 K30 L31 I32 I99	N26-E28 PolarHBondContact ND2-OE2 3.35Å; N26-E28 PolarHBondContact O-N 3.44Å; N26-E28 VanDerWaalsContact O-N 3.16Å; N26-E28 WeakPolarHBondContact OD1-CB 3.39Å; N26-E28 PolarHBondContact OD1-N 3.16Å; E28-K30 VanDerWaalsContact C-N 3.31Å; E28-K30 PolarHBondContact O-N 3.04Å; E28-L31 PolarHBondContact O-N 3.44Å; E28-I32 WeakPolarHBondContact O-CB 3.36Å; E28-I32 WeakPolarHBondContact O-CG1 3.35Å; E28-I32 PolarHBondContact O-N 3.37Å; E28-I99 HydrophobicContact CB-CD1 4.5Å; E28-I99 HydrophobicContact CG-CD1 3.76Å; E28-I99 HydrophobicContact CG-CG1 4.44Å
29	S	88.3	Confident	77.9	Confident	67 Å²	67	91.2 Å²	91.2	47%	0.469	49%	0.485	S	S	.	.	H	α-helix	trans	-67.5	-35.8	178.4	-60.1	0	0	0	0	111.6	N26 E27 Y33	N26-S29 WeakPolarHBondContact O-CA 3.36Å; N26-S29 VanDerWaalsContact O-CB 3.25Å; N26-S29 WeakPolarHBondContact O-CB 3.36Å; N26-S29 PolarHBondContact O-N 2.75Å; E27-S29 VanDerWaalsContact C-N 3.28Å; E27-S29 PolarHBondContact O-N 2.97Å; S29-Y33 WeakPolarHBondContact O-CB 3.44Å; S29-Y33 PolarHBondContact O-N 3.29Å
30	K	89.8	Confident	79.9	Confident	115 Å²	115	88 Å²	88	50%	0.5	47%	0.469	S	S	.	.	H	α-helix	trans	-68.3	-45.8	173.8	-176	-177.3	174.3	-169.2	0	111.1	E27 E28 Y33 D34	E27-K30 PolarHBondContact O-N 3.41Å; E28-K30 VanDerWaalsContact C-N 3.31Å; E28-K30 PolarHBondContact O-N 3.04Å; K30-Y33 PolarHBondContact O-N 3.42Å; K30-D34 VanDerWaalsContact O-CG 3.3Å; K30-D34 PolarHBondContact O-N 3.23Å
31	L	91.6	Very high	81.8	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-58.2	-49.3	175.4	174.5	58.3	0	0	0	111.9	E27 E28 Y33 D34 L35 W91 Y96 I99 I102	E27-L31 PolarHBondContact O-N 3.13Å; E28-L31 PolarHBondContact O-N 3.44Å; L31-Y33 VanDerWaalsContact C-N 3.33Å; L31-Y33 PolarHBondContact O-N 3.19Å; L31-D34 PolarHBondContact O-N 3.18Å; L31-L35 HydrophobicContact CD1-CD1 3.79Å; L31-L35 HydrophobicContact CD1-CD2 4.49Å; L31-L35 HydrophobicContact CD1-CG 3.91Å; L31-L35 HydrophobicContact CG-CD1 3.99Å; L31-L35 HydrophobicContact CG-CG 4.47Å; L31-L35 WeakPolarHBondContact O-CG 3.33Å; L31-L35 PolarHBondContact O-N 3.21Å; L31-W91 HydrophobicContact CD1-CB 3.96Å; L31-W91 HydrophobicContact CD1-CD2 4.01Å; L31-W91 HydrophobicContact CD1-CG 3.73Å; L31-W91 HydrophobicContact CD2-CD2 4Å; L31-W91 HydrophobicContact CD2-CG 4.28Å; L31-W91 HydrophobicContact CD2-CZ2 4.1Å; L31-Y96 HydrophobicContact CB-CD1 3.68Å; L31-Y96 HydrophobicContact CB-CE1 3.87Å; L31-Y96 HydrophobicContact CB-CG 4.21Å; L31-Y96 HydrophobicContact CD1-CD1 3.96Å; L31-Y96 HydrophobicContact CD1-CD2 3.71Å; L31-Y96 HydrophobicContact CD1-CE1 3.89Å; L31-Y96 HydrophobicContact CD1-CE2 3.64Å; L31-Y96 HydrophobicContact CD1-CG 3.87Å; L31-Y96 HydrophobicContact CD2-CG 4.42Å; L31-Y96 HydrophobicContact CG-CD1 4.3Å; L31-Y96 HydrophobicContact CG-CE1 4.48Å; L31-Y96 HydrophobicContact CG-CG 4.39Å; L31-I99 HydrophobicContact CD2-CB 4.4Å; L31-I99 HydrophobicContact CD2-CG2 3.98Å; L31-I102 HydrophobicContact CD2-CG2 3.69Å
32	I	92.1	Very high	83.9	Confident	56 Å²	56	88.5 Å²	88.5	29%	0.287	46%	0.456	S	S	.	.	H	α-helix	trans	-60.3	-45.1	177.3	-69.9	168.4	0	0	0	109.9	E28 D34 L35 F36 I102	E28-I32 WeakPolarHBondContact O-CB 3.36Å; E28-I32 WeakPolarHBondContact O-CG1 3.35Å; E28-I32 PolarHBondContact O-N 3.37Å; I32-D34 VanDerWaalsContact C-N 3.32Å; I32-D34 PolarHBondContact O-N 2.99Å; I32-L35 PolarHBondContact O-N 3.18Å; I32-F36 HydrophobicContact CG2-CD2 3.73Å; I32-F36 HydrophobicContact CG2-CE2 4.16Å; I32-F36 WeakPolarHBondContact O-CB 3.2Å; I32-F36 VanDerWaalsContact O-CD2 3.23Å; I32-F36 WeakPolarHBondContact O-CD2 3.33Å; I32-F36 PolarHBondContact O-N 2.79Å; I32-I102 HydrophobicContact CG1-CD1 4.24Å
33	Y	91.9	Very high	85.7	Confident	153 Å²	153	85.7 Å²	85.7	60%	0.6	44%	0.441	S	S	*	.	H	α-helix	trans	-58.9	-43.5	177.3	-179	-95.4	0	0	0	112.6	S29 K30 L31 K37	S29-Y33 WeakPolarHBondContact O-CB 3.44Å; S29-Y33 PolarHBondContact O-N 3.29Å; K30-Y33 PolarHBondContact O-N 3.42Å; L31-Y33 VanDerWaalsContact C-N 3.33Å; L31-Y33 PolarHBondContact O-N 3.19Å; Y33-K37 PolarHBondContact O-N 3.06Å
34	D	91.8	Very high	87.6	Confident	70 Å²	70	81.7 Å²	81.7	37%	0.374	41%	0.412	S	S	.	.	H	α-helix	trans	-66.1	-43.5	179.8	-70.5	-20.8	0	0	0	112	K30 L31 I32 Y96	K30-D34 VanDerWaalsContact O-CG 3.3Å; K30-D34 PolarHBondContact O-N 3.23Å; L31-D34 PolarHBondContact O-N 3.18Å; I32-D34 VanDerWaalsContact C-N 3.32Å; I32-D34 PolarHBondContact O-N 2.99Å; D34-Y96 PolarHBondContact OD2-OH 3.03Å
35	L	92.4	Very high	89.4	Confident	25 Å²	25	75.7 Å²	75.7	13%	0.131	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-42.1	179.4	-70.3	176.1	0	0	0	112.4	L31 I32 L89 W91 I102	L31-L35 HydrophobicContact CD1-CD1 3.79Å; L31-L35 HydrophobicContact CD1-CD2 4.49Å; L31-L35 HydrophobicContact CD1-CG 3.91Å; L31-L35 HydrophobicContact CG-CD1 3.99Å; L31-L35 HydrophobicContact CG-CG 4.47Å; L31-L35 WeakPolarHBondContact O-CG 3.33Å; L31-L35 PolarHBondContact O-N 3.21Å; I32-L35 PolarHBondContact O-N 3.18Å; L35-L89 HydrophobicContact CB-CD2 4.24Å; L35-W91 HydrophobicContact CD1-CE3 3.84Å; L35-W91 HydrophobicContact CD1-CZ3 4.21Å; L35-I102 HydrophobicContact CD1-CD1 3.71Å
36	F	94.3	Very high	90.9	Very high	46 Å²	46	72.6 Å²	72.6	20%	0.202	36%	0.356	C	S	.	.	H	α-helix	trans	-89.4	-5	-172.1	-73.8	-81.9	0	0	0	114.7	I32 N38 Y39 L89 V104 V109 I134	I32-F36 HydrophobicContact CG2-CD2 3.73Å; I32-F36 HydrophobicContact CG2-CE2 4.16Å; I32-F36 WeakPolarHBondContact O-CB 3.2Å; I32-F36 VanDerWaalsContact O-CD2 3.23Å; I32-F36 WeakPolarHBondContact O-CD2 3.33Å; I32-F36 PolarHBondContact O-N 2.79Å; F36-N38 VanDerWaalsContact C-N 3.27Å; F36-N38 PolarHBondContact O-N 3.37Å; F36-Y39 AromaticContact CD1-CD1 4Å; F36-Y39 HydrophobicContact CD1-CD1 4Å; F36-Y39 HydrophobicContact CD1-CG 4.12Å; F36-Y39 HydrophobicContact CE1-CD1 4.02Å; F36-Y39 HydrophobicContact CE1-CE1 4.41Å; F36-Y39 HydrophobicContact CE1-CG 4.32Å; F36-Y39 PolarHBondContact O-N 3.45Å; F36-L89 HydrophobicContact CE1-CD2 4.29Å; F36-L89 HydrophobicContact CZ-CD2 4.09Å; F36-V104 HydrophobicContact CE1-CG1 4.44Å; F36-V104 HydrophobicContact CE2-CG1 4.01Å; F36-V104 HydrophobicContact CE2-CG2 4.01Å; F36-V104 HydrophobicContact CZ-CB 4.43Å; F36-V104 HydrophobicContact CZ-CG1 3.65Å; F36-V104 HydrophobicContact CZ-CG2 4.21Å; F36-V109 HydrophobicContact CE1-CG1 3.77Å; F36-V109 HydrophobicContact CZ-CG1 3.68Å; F36-I134 HydrophobicContact CZ-CD1 4.49Å
37	K	90.8	Very high	91.5	Very high	142 Å²	142	73.2 Å²	73.2	62%	0.617	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.7	-176.1	-172.7	174.2	179.6	178.5	0	114.4	Y33	Y33-K37 PolarHBondContact O-N 3.06Å
38	N	90.4	Very high	91.9	Very high	154 Å²	154	76.3 Å²	76.3	82%	0.824	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.1	20.7	-179.8	-68.5	-31.8	0	0	0	112.5	F36	F36-N38 VanDerWaalsContact C-N 3.27Å; F36-N38 PolarHBondContact O-N 3.37Å
39	Y	95.3	Very high	91.9	Very high	32 Å²	32	78.5 Å²	78.5	13%	0.125	40%	0.397	C	S	.	.			trans	-83.1	127.6	-176.4	-173.5	-94.1	0	0	0	111	F36 K41 D86 R88 L89 T108 W110	F36-Y39 AromaticContact CD1-CD1 4Å; F36-Y39 HydrophobicContact CD1-CD1 4Å; F36-Y39 HydrophobicContact CD1-CG 4.12Å; F36-Y39 HydrophobicContact CE1-CD1 4.02Å; F36-Y39 HydrophobicContact CE1-CE1 4.41Å; F36-Y39 HydrophobicContact CE1-CG 4.32Å; F36-Y39 PolarHBondContact O-N 3.45Å; Y39-K41 HydrophobicContact CD1-CB 4.45Å; Y39-K41 HydrophobicContact CE1-CB 3.91Å; Y39-D86 WeakPolarHBondContact CE2-OD2 3.31Å; Y39-D86 PolarHBondContact OH-OD2 3.23Å; Y39-R88 HydrophobicContact CD2-CB 4.27Å; Y39-R88 HydrophobicContact CE2-CB 4.28Å; Y39-R88 PolarHBondContact OH-NH2 3.45Å; Y39-L89 HydrophobicContact CD2-CD1 4.48Å; Y39-L89 HydrophobicContact CD2-CD2 3.7Å; Y39-L89 HydrophobicContact CD2-CG 4.11Å; Y39-L89 HydrophobicContact CE2-CD1 3.74Å; Y39-L89 HydrophobicContact CE2-CD2 3.79Å; Y39-L89 HydrophobicContact CE2-CG 3.69Å; Y39-L89 HydrophobicContact CG-CD2 4.38Å; Y39-T108 WeakPolarHBondContact CE1-O 3.49Å; Y39-W110 WeakPolarHBondContact OH-CB 3.48Å; Y39-W110 PolarHBondContact OH-N 2.95Å
40	N	93.8	Very high	91.9	Very high	74 Å²	74	86.1 Å²	86.1	40%	0.396	42%	0.416	S	S	.	.			trans	-113.6	108.5	173.2	-172.1	-11.5	0	0	0	110.4	N42 I43 R88	N40-N42 PolarHBondContact O-N 3.04Å; N40-N42 PolarHBondContact OD1-N 3.35Å; N40-I43 HydrophobicContact CB-CD1 4.04Å; N40-I43 HydrophobicContact CB-CG1 4.32Å; N40-I43 PolarHBondContact O-N 3.14Å; N40-R88 PolarHBondContact O-NH1 3.17Å
41	K	92.8	Very high	92.1	Very high	93 Å²	93	84.9 Å²	84.9	40%	0.404	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.8	-178.9	72.6	-179.2	-170.1	179.7	0	115	Y39 I43 N107 W110	Y39-K41 HydrophobicContact CD1-CB 4.45Å; Y39-K41 HydrophobicContact CE1-CB 3.91Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.06Å; K41-N107 VanDerWaalsContact CD-O 3.26Å; K41-N107 WeakPolarHBondContact CD-O 3.3Å; K41-N107 PolarHBondContact NZ-O 2.96Å; K41-W110 WeakPolarHBondContact O-CA 3.48Å; K41-W110 WeakPolarHBondContact O-CB 3.34Å
42	N	92.9	Very high	92.2	Very high	125 Å²	125	88 Å²	88	67%	0.668	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.2	-178.8	-61.6	-20.8	0	0	0	112.4	N40	N40-N42 PolarHBondContact O-N 3.04Å; N40-N42 PolarHBondContact OD1-N 3.35Å
43	I	92.3	Very high	92.4	Very high	93 Å²	93	85.8 Å²	85.8	48%	0.477	41%	0.414	S	S	.	.	S	Bend	trans	-108.5	124.9	-177.4	-57	176.9	0	0	0	108.5	N40 K41 R88	N40-I43 HydrophobicContact CB-CD1 4.04Å; N40-I43 HydrophobicContact CB-CG1 4.32Å; N40-I43 PolarHBondContact O-N 3.14Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.06Å; I43-R88 PolarHBondContact O-NH1 3.45Å; I43-R88 PolarHBondContact O-NH2 2.9Å; I43-R88 VanDerWaalsContact O-NH2 3.08Å
44	R	93.8	Very high	92.5	Very high	40 Å²	40	84 Å²	84	15%	0.151	41%	0.412	C	S	.	.			trans	-59.7	141.6	175.3	70.1	-177.9	178.4	101.6	4.8	111.1	A46 P49 E51 W110 Y175 E179	R44-A46 HydrophobicContact CG-CB 4.41Å; R44-A46 PolarHBondContact O-N 3.43Å; R44-P49 PolarHBondContact NH2-O 2.94Å; R44-E51 PolarHBondContact NH1-O 3.47Å; R44-W110 HydrophobicContact CB-CZ2 3.95Å; R44-Y175 HydrophobicContact CB-CE1 4.35Å; R44-E179 PolarHBondContact NH1-O 3.12Å
45	P	94.3	Very high	92.7	Very high	10 Å²	10	80.7 Å²	80.7	7%	0.065	39%	0.394	C	S	.	.			trans	-79.6	67.1	-175.4	33.2	-37.4	0	0	0	112.2	V53 D86 W110	P45-V53 HydrophobicContact CG-CG1 4.19Å; P45-V53 HydrophobicContact CG-CG2 4.03Å; P45-D86 HydrophobicContact CB-CB 3.94Å; P45-D86 VanDerWaalsContact CB-CG 3.41Å; P45-D86 WeakPolarHBondContact CB-OD1 3.48Å; P45-D86 HydrophobicContact CG-CB 4.32Å; P45-W110 HydrophobicContact CG-CD2 4.26Å; P45-W110 HydrophobicContact CG-CE3 3.68Å; P45-W110 HydrophobicContact CG-CH2 4.47Å; P45-W110 HydrophobicContact CG-CZ3 3.8Å
46	A	92.9	Very high	92.9	Very high	17 Å²	17	80.6 Å²	80.6	14%	0.14	39%	0.393	C	S	.	.			trans	-110.5	132.8	173.8	0	0	0	0	0	109.8	R44 E51	R44-A46 HydrophobicContact CG-CB 4.41Å; R44-A46 PolarHBondContact O-N 3.43Å; A46-E51 HydrophobicContact CB-CB 4.39Å
47	V	90.4	Very high	92.9	Very high	95 Å²	95	78.4 Å²	78.4	58%	0.576	38%	0.383	S	S	*	.	S	Bend	trans	-72.3	-42.8	178.3	-177.5	0	0	0	0	109.4	E51 Y87	V47-E51 WeakPolarHBondContact CB-OE2 3.42Å; V47-E51 PolarHBondContact N-OE2 3.5Å; V47-Y87 HydrophobicContact CG2-CD1 3.77Å; V47-Y87 HydrophobicContact CG2-CD2 4.3Å; V47-Y87 HydrophobicContact CG2-CE1 3.98Å; V47-Y87 HydrophobicContact CG2-CE2 4.47Å; V47-Y87 HydrophobicContact CG2-CG 3.95Å
48	E	92.1	Very high	93.1	Very high	127 Å²	127	72.8 Å²	72.8	59%	0.593	36%	0.359	S	S	*	.	S	Bend	trans	-113	148.4	174.1	-64.1	-172.6	-179.9	0	0	111.6	R50 E51	E48-R50 PolarHBondContact O-N 3.26Å; E48-E51 HydrophobicContact CB-CB 4.39Å; E48-E51 WeakPolarHBondContact O-CB 3.37Å; E48-E51 PolarHBondContact O-N 3.04Å
49	P	87	Confident	93.3	Very high	115 Å²	115	65.5 Å²	65.5	75%	0.747	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.4	178.4	-25.6	34.6	0	0	0	115	R44	R44-P49 PolarHBondContact NH2-O 2.94Å
50	R	88.5	Confident	93.3	Very high	226 Å²	226	64.8 Å²	64.8	85%	0.853	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-10.7	179	-69.7	-176.8	175.5	173.7	-1.1	113.6	E48	E48-R50 PolarHBondContact O-N 3.26Å
51	E	93.3	Very high	93.3	Very high	90 Å²	90	61.3 Å²	61.3	42%	0.421	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-74.3	142.2	179.5	-170.5	176.7	-163.5	0	0	109.9	R44 A46 V47 E48	R44-E51 PolarHBondContact NH1-O 3.47Å; A46-E51 HydrophobicContact CB-CB 4.39Å; V47-E51 WeakPolarHBondContact CB-OE2 3.42Å; V47-E51 PolarHBondContact N-OE2 3.5Å; E48-E51 HydrophobicContact CB-CB 4.39Å; E48-E51 WeakPolarHBondContact O-CB 3.37Å; E48-E51 PolarHBondContact O-N 3.04Å
52	K	93.4	Very high	93.3	Very high	65 Å²	65	57.6 Å²	57.6	28%	0.283	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-101.1	136.3	178.5	-57.7	-176.2	179.3	-152.7	0	108.9	Y177 N178 E179 D181	K52-Y177 VanDerWaalsContact CD-O 3.31Å; K52-Y177 WeakPolarHBondContact CD-O 3.4Å; K52-Y177 VanDerWaalsContact CE-O 3.3Å; K52-Y177 WeakPolarHBondContact CE-O 3.31Å; K52-Y177 VanDerWaalsContact NZ-CD1 3.28Å; K52-Y177 PolarHBondContact NZ-O 2.99Å; K52-N178 WeakPolarHBondContact CG-O 3.41Å; K52-N178 PolarHBondContact NZ-OD1 2.71Å; K52-E179 WeakPolarHBondContact CA-O 3.29Å; K52-D181 HydrophobicContact CB-CB 4.49Å
53	V	95.3	Very high	93.3	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.055	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.8	171.7	-176.8	0	0	0	0	107.8	P45 V55 W84 W110 E179 L180 D181	P45-V53 HydrophobicContact CG-CG1 4.19Å; P45-V53 HydrophobicContact CG-CG2 4.03Å; V53-V55 HydrophobicContact CG1-CG2 4.45Å; V53-W84 HydrophobicContact CG1-CB 4.35Å; V53-W110 HydrophobicContact CG1-CH2 4.25Å; V53-W110 HydrophobicContact CG1-CZ3 4.28Å; V53-E179 PolarHBondContact N-O 2.86Å; V53-L180 HydrophobicContact CB-CD2 3.62Å; V53-L180 HydrophobicContact CG1-CD2 4.33Å; V53-L180 HydrophobicContact CG2-CD2 4.3Å; V53-L180 WeakPolarHBondContact O-CA 3.5Å; V53-D181 PolarHBondContact O-N 3.14Å
54	Q	95.2	Very high	93.3	Very high	116 Å²	116	49.8 Å²	49.8	54%	0.542	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.5	174.3	-68.5	179.4	2.3	0	0	109.5	D181 I183	Q54-D181 WeakPolarHBondContact CA-O 3.38Å; Q54-D181 HydrophobicContact CG-CB 4.35Å; Q54-I183 HydrophobicContact CB-CD1 4.45Å
55	V	96.2	Very high	93.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	113.3	178.6	-177.5	0	0	0	0	108.3	V53 I57 I82 Q83 W84 P112 I114 L180 D181 L182 I183	V53-V55 HydrophobicContact CG1-CG2 4.45Å; V55-I57 HydrophobicContact CG1-CG1 4.31Å; V55-I82 HydrophobicContact CG1-CG2 3.66Å; V55-Q83 WeakPolarHBondContact CA-O 3.24Å; V55-W84 HydrophobicContact CG2-CB 4.34Å; V55-P112 HydrophobicContact CG1-CB 4.33Å; V55-P112 HydrophobicContact CG1-CG 3.97Å; V55-P112 HydrophobicContact CG2-CB 4.05Å; V55-P112 HydrophobicContact CG2-CG 4.25Å; V55-I114 HydrophobicContact CG1-CG1 4.5Å; V55-L180 HydrophobicContact CG2-CD1 4.46Å; V55-L180 HydrophobicContact CG2-CD2 4.25Å; V55-D181 PolarHBondContact N-O 3.42Å; V55-L182 HydrophobicContact CB-CD2 4Å; V55-L182 HydrophobicContact CG1-CD2 4.41Å; V55-I183 PolarHBondContact O-N 3.34Å
56	M	95.8	Very high	93.1	Very high	23 Å²	23	53.6 Å²	53.6	11%	0.113	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.8	175.3	-75.9	-179.7	-81.3	0	0	110.1	I82 Q83 W139 I183	M56-I82 WeakPolarHBondContact O-CA 3.49Å; M56-Q83 HydrophobicContact CB-CB 4.16Å; M56-Q83 HydrophobicContact CE-CB 4.34Å; M56-Q83 PolarHBondContact N-O 3.06Å; M56-Q83 PolarHBondContact O-N 3.43Å; M56-W139 HydrophobicContact CE-CE3 4.29Å; M56-W139 HydrophobicContact CE-CH2 3.5Å; M56-W139 HydrophobicContact CE-CZ3 3.26Å; M56-I183 CarbonylContact C-O 3.58Å; M56-I183 WeakPolarHBondContact CA-O 3.28Å; M56-I183 HydrophobicContact CB-CG1 4.45Å; M56-I183 HydrophobicContact CG-CD1 3.49Å; M56-I183 VanDerWaalsContact CG-CD1 3.49Å; M56-I183 HydrophobicContact CG-CG1 3.6Å; M56-I183 HydrophobicContact SD-CD1 4.35Å
57	I	95.4	Very high	93.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.7	178.6	-57.3	171	0	0	0	109.1	V55 I80 E81 I114 L182 I183 A185 I233 F235	V55-I57 HydrophobicContact CG1-CG1 4.31Å; I57-I80 HydrophobicContact CG2-CD1 4.19Å; I57-I80 HydrophobicContact CG2-CG1 4.15Å; I57-E81 WeakPolarHBondContact CA-O 3.43Å; I57-I114 HydrophobicContact CD1-CD1 4.27Å; I57-I114 HydrophobicContact CD1-CG1 4.23Å; I57-I114 HydrophobicContact CD1-CG2 3.82Å; I57-L182 HydrophobicContact CD1-CD2 4.2Å; I57-I183 PolarHBondContact N-O 3.44Å; I57-A185 PolarHBondContact O-N 3Å; I57-A185 VanDerWaalsContact O-N 3.13Å; I57-I233 HydrophobicContact CD1-CG1 4.16Å; I57-F235 HydrophobicContact CG2-CE2 4.24Å; I57-F235 HydrophobicContact CG2-CZ 4.11Å
58	K	94.7	Very high	93.1	Very high	25 Å²	25	51 Å²	51	11%	0.109	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.6	170.6	171.8	175	-175.5	173.6	0	109	E81 A185 E187	K58-E81 HydrophobicContact CB-CB 4.03Å; K58-E81 PolarHBondContact N-O 2.87Å; K58-E81 WeakPolarHBondContact O-CB 3.36Å; K58-E81 PolarHBondContact O-N 3.28Å; K58-A185 HydrophobicContact CB-CB 3.62Å; K58-A185 HydrophobicContact CD-CB 4.12Å; K58-A185 HydrophobicContact CG-CB 4.41Å; K58-E187 IonicContact NZ-OE2 3.58Å; K58-E187 PolarHBondContact NZ-OE2 3.23Å
59	L	94.7	Very high	92.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.6	-179.6	-165.3	73.8	0	0	0	109.5	V78 I80 L168 F170 V195 H196 F235	L59-V78 HydrophobicContact CD1-CB 3.86Å; L59-V78 HydrophobicContact CD1-CG1 4.3Å; L59-V78 HydrophobicContact CD1-CG2 3.85Å; L59-V78 HydrophobicContact CD2-CG1 4.36Å; L59-V78 HydrophobicContact CG-CB 4.29Å; L59-V78 HydrophobicContact CG-CG1 4.35Å; L59-I80 HydrophobicContact CD1-CB 4.21Å; L59-I80 HydrophobicContact CD1-CG1 4.43Å; L59-L168 HydrophobicContact CD2-CD1 3.87Å; L59-F170 HydrophobicContact CD1-CE2 4.16Å; L59-F170 HydrophobicContact CD1-CZ 4.04Å; L59-F170 HydrophobicContact CD2-CE2 4.35Å; L59-V195 HydrophobicContact CB-CG1 4.45Å; L59-V195 HydrophobicContact CD2-CG1 4.2Å; L59-V195 HydrophobicContact CD2-CG2 4.27Å; L59-V195 HydrophobicContact CG-CG1 4.39Å; L59-H196 PolarHBondContact O-N 2.95Å; L59-F235 HydrophobicContact CB-CD1 3.81Å; L59-F235 HydrophobicContact CB-CD2 4.28Å; L59-F235 HydrophobicContact CB-CE1 3.51Å; L59-F235 HydrophobicContact CB-CE2 4.01Å; L59-F235 HydrophobicContact CB-CG 4.19Å; L59-F235 HydrophobicContact CB-CZ 3.63Å; L59-F235 HydrophobicContact CD2-CB 4.05Å; L59-F235 HydrophobicContact CD2-CD1 4.11Å; L59-F235 HydrophobicContact CD2-CD2 3.95Å; L59-F235 HydrophobicContact CD2-CE2 4.44Å; L59-F235 HydrophobicContact CD2-CG 3.77Å
60	T	94.2	Very high	92.8	Very high	16 Å²	16	47.8 Å²	47.8	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117	171.4	-60.2	0	0	0	0	109.5	V78 W79 H196	T60-V78 CarbonylContact O-C 3.54Å; T60-V78 VanDerWaalsContact O-CA 3.27Å; T60-V78 WeakPolarHBondContact O-CA 3.4Å; T60-W79 PolarHBondContact N-O 2.94Å; T60-W79 PolarHBondContact O-N 3.26Å; T60-H196 CarbonylContact C-O 3.58Å; T60-H196 VanDerWaalsContact CA-O 3.29Å; T60-H196 WeakPolarHBondContact CA-O 3.36Å; T60-H196 HydrophobicContact CG2-CB 4.47Å
61	L	94.7	Very high	92.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.9	176.2	-179.9	69.6	0	0	0	109.5	T76 V78 V195 H196 I197 F202 I210 L237	L61-T76 HydrophobicContact CD1-CG2 4.03Å; L61-V78 HydrophobicContact CD1-CG1 3.74Å; L61-V195 HydrophobicContact CB-CG1 3.67Å; L61-H196 PolarHBondContact N-O 3.03Å; L61-I197 HydrophobicContact CB-CG1 4.3Å; L61-I197 HydrophobicContact CD2-CD1 4.15Å; L61-F202 HydrophobicContact CD2-CE2 4.21Å; L61-F202 HydrophobicContact CG-CE2 4.47Å; L61-I210 HydrophobicContact CD2-CD1 3.51Å; L61-L237 HydrophobicContact CD2-CD2 4.41Å
62	T	92.5	Very high	92.6	Very high	15 Å²	15	41.8 Å²	41.8	9%	0.092	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-53.5	174.5	61.7	0	0	0	0	110.5	N77 W79 F202	T62-N77 PolarHBondContact N-O 3.29Å; T62-N77 WeakPolarHBondContact OG1-CB 3.38Å; T62-N77 PolarHBondContact OG1-ND2 3.43Å; T62-N77 PolarHBondContact OG1-O 2.88Å; T62-W79 HydrophobicContact CG2-CD2 4.35Å; T62-W79 HydrophobicContact CG2-CG 4.27Å; T62-F202 WeakPolarHBondContact O-CA 3.49Å; T62-F202 WeakPolarHBondContact O-CD2 3.33Å
63	N	92.1	Very high	92.5	Very high	45 Å²	45	39.1 Å²	39.1	24%	0.241	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	136.8	-179.5	-65.2	-27.1	0	0	0	110.6	N77 T203	N63-N77 HydrophobicContact CB-CB 4.26Å; N63-N77 PolarHBondContact N-O 3.48Å; N63-N77 PolarHBondContact O-N 3.22Å; N63-T203 VanDerWaalsContact CG-OG1 3.24Å; N63-T203 PolarHBondContact OD1-N 3.45Å; N63-T203 PolarHBondContact OD1-OG1 3.47Å
64	L	93.4	Very high	92.5	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	103.7	161.3	-170.4	159.7	0	0	0	107.2	L74 N205 W208 I210 I239	L64-L74 HydrophobicContact CD1-CD1 4.41Å; L64-L74 HydrophobicContact CD2-CD1 4.4Å; L64-L74 HydrophobicContact CG-CD1 4.23Å; L64-N205 HydrophobicContact CD2-CB 4.33Å; L64-N205 WeakPolarHBondContact CD2-ND2 3.45Å; L64-N205 PolarHBondContact O-ND2 2.88Å; L64-W208 HydrophobicContact CD2-CB 4.36Å; L64-I210 HydrophobicContact CD1-CG1 4.39Å; L64-I239 HydrophobicContact CD1-CD1 4.22Å; L64-I239 HydrophobicContact CD1-CG2 3.85Å
65	I	91.9	Very high	92.4	Very high	82 Å²	82	33.8 Å²	33.8	42%	0.421	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-58.1	-171	-65.4	164.7	0	0	0	110.1	T75 N77 I147 N205	I65-T75 HydrophobicContact CB-CG2 3.95Å; I65-T75 WeakPolarHBondContact CB-O 3.21Å; I65-T75 HydrophobicContact CD1-CG2 3.8Å; I65-T75 HydrophobicContact CG1-CG2 4.45Å; I65-T75 HydrophobicContact CG2-CG2 4.2Å; I65-T75 PolarHBondContact N-O 2.83Å; I65-N77 HydrophobicContact CD1-CB 4.05Å; I65-I147 HydrophobicContact CD1-CG2 4.23Å; I65-N205 PolarHBondContact O-ND2 3.25Å
66	S	91.9	Very high	92.3	Very high	49 Å²	49	33.8 Å²	33.8	34%	0.343	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	151.4	-178.6	56.6	0	0	0	0	111.5	T75	S66-T75 PolarHBondContact N-O 3.44Å; S66-T75 PolarHBondContact O-N 3.37Å
67	L	92.9	Very high	92.2	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112	162.1	-176	71	0	0	0	106.6	T73 L74 C152 I154 Q164 W208 I239	L67-T73 CarbonylContact C-O 3.6Å; L67-T73 WeakPolarHBondContact CA-O 3.48Å; L67-L74 HydrophobicContact CB-CD1 4.42Å; L67-L74 HydrophobicContact CD1-CB 3.74Å; L67-L74 HydrophobicContact CD1-CD1 3.95Å; L67-L74 HydrophobicContact CD1-CG 4.44Å; L67-C152 HydrophobicContact CD1-CB 4.4Å; L67-I154 HydrophobicContact CD1-CD1 3.95Å; L67-I154 HydrophobicContact CD2-CD1 3.71Å; L67-I154 HydrophobicContact CG-CD1 3.98Å; L67-Q164 HydrophobicContact CD2-CB 4.19Å; L67-Q164 HydrophobicContact CD2-CG 3.86Å; L67-W208 HydrophobicContact CB-CZ2 4.12Å; L67-W208 HydrophobicContact CD2-CH2 3.63Å; L67-W208 HydrophobicContact CD2-CZ2 3.37Å; L67-W208 HydrophobicContact CD2-CZ3 4.35Å; L67-W208 HydrophobicContact CG-CZ2 4.28Å; L67-I239 HydrophobicContact CD2-CD1 4.02Å
68	N	90.6	Very high	92.1	Very high	50 Å²	50	34.7 Å²	34.7	27%	0.267	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107.9	176.6	-174.9	-10.6	0	0	0	108.6	K70 E71 E72 T73	N68-K70 VanDerWaalsContact C-N 3.28Å; N68-K70 PolarHBondContact O-N 3.49Å; N68-K70 PolarHBondContact OD1-N 2.9Å; N68-K70 VanDerWaalsContact OD1-N 3.11Å; N68-E71 HydrophobicContact CB-CB 4.38Å; N68-E71 WeakPolarHBondContact ND2-CG 3.4Å; N68-E71 PolarHBondContact ND2-OE2 2.91Å; N68-E71 PolarHBondContact OD1-N 3.28Å; N68-E72 WeakPolarHBondContact O-CA 3.44Å; N68-E72 PolarHBondContact O-N 3.49Å; N68-T73 WeakPolarHBondContact CB-OG1 3.5Å; N68-T73 PolarHBondContact N-O 2.86Å; N68-T73 PolarHBondContact O-N 3.37Å; N68-T73 VanDerWaalsContact O-N 3.08Å
69	E	87.6	Confident	92.1	Very high	23 Å²	23	39 Å²	39	11%	0.107	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.7	-177.1	-55.9	86.5	166.8	0	0	112.8	I154 R241 P298	E69-I154 HydrophobicContact CB-CG2 4.42Å; E69-I154 HydrophobicContact CG-CG2 4.31Å; E69-R241 IonicContact OE1-CZ 3.11Å; E69-R241 IonicContact OE1-NH1 2.59Å; E69-R241 PolarHBondContact OE1-NH1 3.07Å; E69-R241 IonicContact OE1-NH2 2.87Å; E69-R241 PolarHBondContact OE1-NH2 3.34Å; E69-P298 HydrophobicContact CB-CG 4.16Å; E69-P298 VanDerWaalsContact O-CB 3.26Å; E69-P298 WeakPolarHBondContact O-CB 3.37Å
70	K	83.8	Confident	92	Very high	151 Å²	151	39 Å²	39	66%	0.657	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-38.2	-179.8	-173.5	176	-179.8	174.8	0	112.4	N68	N68-K70 VanDerWaalsContact C-N 3.28Å; N68-K70 PolarHBondContact O-N 3.49Å; N68-K70 PolarHBondContact OD1-N 2.9Å; N68-K70 VanDerWaalsContact OD1-N 3.11Å
71	E	86.9	Confident	92.1	Very high	122 Å²	122	39.2 Å²	39.2	57%	0.57	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-8.4	177.9	-65.2	175.8	173.1	0	0	112.1	N68 T73	N68-E71 HydrophobicContact CB-CB 4.38Å; N68-E71 WeakPolarHBondContact ND2-CG 3.4Å; N68-E71 PolarHBondContact ND2-OE2 2.91Å; N68-E71 PolarHBondContact OD1-N 3.28Å; E71-T73 VanDerWaalsContact C-N 3.27Å; E71-T73 HydrophobicContact CB-CG2 3.74Å; E71-T73 WeakPolarHBondContact O-CG2 3.38Å; E71-T73 PolarHBondContact O-N 3.44Å
72	E	90.6	Very high	92.1	Very high	68 Å²	68	39.1 Å²	39.1	32%	0.318	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	40.3	-173	-59.4	-168.7	140.3	0	0	112.3	N68 C152 I154	N68-E72 WeakPolarHBondContact O-CA 3.44Å; N68-E72 PolarHBondContact O-N 3.49Å; E72-C152 WeakPolarHBondContact CB-O 3.38Å; E72-C152 PolarHBondContact O-N 3.43Å; E72-I154 HydrophobicContact CB-CG1 4.42Å; E72-I154 HydrophobicContact CG-CG1 4.13Å
73	T	92.7	Very high	92.2	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.4	-174.3	62.6	0	0	0	0	113	L67 N68 E71 I120 S150	L67-T73 CarbonylContact C-O 3.6Å; L67-T73 WeakPolarHBondContact CA-O 3.48Å; N68-T73 WeakPolarHBondContact CB-OG1 3.5Å; N68-T73 PolarHBondContact N-O 2.86Å; N68-T73 PolarHBondContact O-N 3.37Å; N68-T73 VanDerWaalsContact O-N 3.08Å; E71-T73 VanDerWaalsContact C-N 3.27Å; E71-T73 HydrophobicContact CB-CG2 3.74Å; E71-T73 WeakPolarHBondContact O-CG2 3.38Å; E71-T73 PolarHBondContact O-N 3.44Å; T73-I120 HydrophobicContact CG2-CB 4.31Å; T73-I120 HydrophobicContact CG2-CD1 3.5Å; T73-I120 VanDerWaalsContact CG2-CD1 3.5Å; T73-I120 HydrophobicContact CG2-CG1 4.47Å; T73-I120 HydrophobicContact CG2-CG2 3.71Å; T73-S150 CarbonylContact C-O 3.54Å; T73-S150 WeakPolarHBondContact CA-O 3.47Å
74	L	94.6	Very high	92.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.1	170.4	175.1	69.4	0	0	0	109.4	L64 L67 T76 R149 S150 C152 C166 L237	L64-L74 HydrophobicContact CD1-CD1 4.41Å; L64-L74 HydrophobicContact CD2-CD1 4.4Å; L64-L74 HydrophobicContact CG-CD1 4.23Å; L67-L74 HydrophobicContact CB-CD1 4.42Å; L67-L74 HydrophobicContact CD1-CB 3.74Å; L67-L74 HydrophobicContact CD1-CD1 3.95Å; L67-L74 HydrophobicContact CD1-CG 4.44Å; L74-T76 HydrophobicContact CD1-CG2 4.19Å; L74-T76 HydrophobicContact CD2-CG2 3.93Å; L74-T76 HydrophobicContact CG-CG2 3.89Å; L74-R149 CarbonylContact O-C 3.41Å; L74-R149 VanDerWaalsContact O-CA 3.3Å; L74-R149 WeakPolarHBondContact O-CA 3.48Å; L74-S150 PolarHBondContact N-O 3.33Å; L74-S150 PolarHBondContact O-N 3.23Å; L74-C152 HydrophobicContact CB-CB 4.4Å; L74-C166 HydrophobicContact CD2-CB 3.63Å; L74-L237 HydrophobicContact CD2-CD1 4.19Å
75	T	93.9	Very high	92.5	Very high	14 Å²	14	40.5 Å²	40.5	9%	0.086	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.8	174.3	-53.3	0	0	0	0	110.4	I65 S66 I147 Y148 R149	I65-T75 HydrophobicContact CB-CG2 3.95Å; I65-T75 WeakPolarHBondContact CB-O 3.21Å; I65-T75 HydrophobicContact CD1-CG2 3.8Å; I65-T75 HydrophobicContact CG1-CG2 4.45Å; I65-T75 HydrophobicContact CG2-CG2 4.2Å; I65-T75 PolarHBondContact N-O 2.83Å; S66-T75 PolarHBondContact N-O 3.44Å; S66-T75 PolarHBondContact O-N 3.37Å; T75-I147 HydrophobicContact CG2-CG2 4.05Å; T75-Y148 CarbonylContact C-O 3.51Å; T75-Y148 WeakPolarHBondContact CA-O 3.44Å; T75-R149 HydrophobicContact CG2-CG 4.13Å
76	T	93.8	Very high	92.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.6	179.6	52.9	0	0	0	0	111.2	L61 L74 I147 Y148 L237	L61-T76 HydrophobicContact CD1-CG2 4.03Å; L74-T76 HydrophobicContact CD1-CG2 4.19Å; L74-T76 HydrophobicContact CD2-CG2 3.93Å; L74-T76 HydrophobicContact CG-CG2 3.89Å; T76-I147 CarbonylContact O-C 3.51Å; T76-I147 WeakPolarHBondContact O-CA 3.31Å; T76-Y148 PolarHBondContact N-O 2.87Å; T76-Y148 PolarHBondContact O-N 3.29Å; T76-L237 HydrophobicContact CG2-CD1 4.26Å
77	N	93.2	Very high	92.8	Very high	41 Å²	41	40 Å²	40	22%	0.219	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.7	167	-174.6	11.3	0	0	0	108.2	T62 N63 I65 A146	T62-N77 PolarHBondContact N-O 3.29Å; T62-N77 WeakPolarHBondContact OG1-CB 3.38Å; T62-N77 PolarHBondContact OG1-ND2 3.43Å; T62-N77 PolarHBondContact OG1-O 2.88Å; N63-N77 HydrophobicContact CB-CB 4.26Å; N63-N77 PolarHBondContact N-O 3.48Å; N63-N77 PolarHBondContact O-N 3.22Å; I65-N77 HydrophobicContact CD1-CB 4.05Å; N77-A146 PolarHBondContact OD1-O 3.32Å
78	V	93.9	Very high	92.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.1	-173	-59.5	0	0	0	0	110.4	L59 T60 L61 A146 Y148	L59-V78 HydrophobicContact CD1-CB 3.86Å; L59-V78 HydrophobicContact CD1-CG1 4.3Å; L59-V78 HydrophobicContact CD1-CG2 3.85Å; L59-V78 HydrophobicContact CD2-CG1 4.36Å; L59-V78 HydrophobicContact CG-CB 4.29Å; L59-V78 HydrophobicContact CG-CG1 4.35Å; T60-V78 CarbonylContact O-C 3.54Å; T60-V78 VanDerWaalsContact O-CA 3.27Å; T60-V78 WeakPolarHBondContact O-CA 3.4Å; L61-V78 HydrophobicContact CD1-CG1 3.74Å; V78-A146 HydrophobicContact CG2-CB 4.24Å; V78-A146 PolarHBondContact N-O 2.93Å; V78-A146 PolarHBondContact O-N 2.87Å; V78-A146 VanDerWaalsContact O-O 3.13Å; V78-Y148 HydrophobicContact CG2-CD2 3.39Å; V78-Y148 HydrophobicContact CG2-CE2 3.6Å
79	W	94.1	Very high	93.1	Very high	116 Å²	116	40 Å²	40	44%	0.439	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.9	161.3	-62.9	-1.4	0	0	0	107	T60 T62 L143	T60-W79 PolarHBondContact N-O 2.94Å; T60-W79 PolarHBondContact O-N 3.26Å; T62-W79 HydrophobicContact CG2-CD2 4.35Å; T62-W79 HydrophobicContact CG2-CG 4.27Å; W79-L143 HydrophobicContact CB-CD1 3.89Å; W79-L143 HydrophobicContact CB-CG 4.29Å; W79-L143 HydrophobicContact CE3-CD2 3.81Å; W79-L143 HydrophobicContact CE3-CG 4.37Å; W79-L143 HydrophobicContact CZ3-CD2 4.25Å
80	I	93.8	Very high	93.4	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.6	173.2	-172.6	173.2	0	0	0	107.4	I57 L59 I82 I114 V126 L143 P144 F170	I57-I80 HydrophobicContact CG2-CD1 4.19Å; I57-I80 HydrophobicContact CG2-CG1 4.15Å; L59-I80 HydrophobicContact CD1-CB 4.21Å; L59-I80 HydrophobicContact CD1-CG1 4.43Å; I80-I82 HydrophobicContact CD1-CD1 4.04Å; I80-I82 HydrophobicContact CD1-CG1 4.18Å; I80-I82 HydrophobicContact CG1-CD1 4.22Å; I80-I82 HydrophobicContact CG1-CG1 3.92Å; I80-I82 HydrophobicContact CG2-CD1 4.46Å; I80-I114 HydrophobicContact CD1-CG2 4.3Å; I80-V126 HydrophobicContact CG2-CG1 4.39Å; I80-L143 WeakPolarHBondContact O-CA 3.32Å; I80-P144 HydrophobicContact CG2-CG 3.68Å; I80-P144 PolarHBondContact N-O 3.4Å; I80-P144 VanDerWaalsContact O-CD 3.24Å; I80-P144 WeakPolarHBondContact O-CD 3.39Å; I80-F170 HydrophobicContact CD1-CD1 3.82Å; I80-F170 HydrophobicContact CD1-CE1 3.63Å; I80-F170 HydrophobicContact CD1-CZ 4.18Å
81	E	94.8	Very high	93.8	Very high	21 Å²	21	35.1 Å²	35.1	10%	0.098	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.7	175.7	-176.4	178.7	127.9	0	0	108	I57 K58 Q83 Y141 L143	I57-E81 WeakPolarHBondContact CA-O 3.43Å; K58-E81 HydrophobicContact CB-CB 4.03Å; K58-E81 PolarHBondContact N-O 2.87Å; K58-E81 WeakPolarHBondContact O-CB 3.36Å; K58-E81 PolarHBondContact O-N 3.28Å; E81-Q83 HydrophobicContact CG-CG 4.24Å; E81-Q83 PolarHBondContact OE1-NE2 3.46Å; E81-Y141 HydrophobicContact CG-CD2 4.24Å; E81-Y141 HydrophobicContact CG-CE2 3.47Å; E81-Y141 VanDerWaalsContact CG-CE2 3.47Å; E81-Y141 WeakPolarHBondContact OE1-CE2 3.27Å; E81-Y141 PolarHBondContact OE2-OH 2.99Å; E81-L143 HydrophobicContact CB-CD1 3.66Å; E81-L143 HydrophobicContact CG-CD1 4.2Å
82	I	95.3	Very high	94.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.5	-179.9	-57.4	174	0	0	0	107.2	V55 M56 I80 W84 P112 I114 W142	V55-I82 HydrophobicContact CG1-CG2 3.66Å; M56-I82 WeakPolarHBondContact O-CA 3.49Å; I80-I82 HydrophobicContact CD1-CD1 4.04Å; I80-I82 HydrophobicContact CD1-CG1 4.18Å; I80-I82 HydrophobicContact CG1-CD1 4.22Å; I80-I82 HydrophobicContact CG1-CG1 3.92Å; I80-I82 HydrophobicContact CG2-CD1 4.46Å; I82-W84 HydrophobicContact CG2-CE3 3.92Å; I82-W84 HydrophobicContact CG2-CZ3 4.08Å; I82-P112 HydrophobicContact CG2-CG 3.78Å; I82-I114 HydrophobicContact CD1-CB 4.12Å; I82-I114 HydrophobicContact CD1-CG1 4.23Å; I82-W142 HydrophobicContact CB-CE3 4.23Å; I82-W142 HydrophobicContact CD1-CE3 3.65Å; I82-W142 HydrophobicContact CD1-CZ3 3.64Å; I82-W142 HydrophobicContact CG1-CE3 4.39Å; I82-W142 PolarHBondContact N-O 3.04Å; I82-W142 PolarHBondContact O-N 3.17Å
83	Q	95.6	Very high	94.3	Very high	49 Å²	49	33.2 Å²	33.2	23%	0.229	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.1	176.4	-47.5	-175.5	3.3	0	0	110.9	V55 M56 E81 M140 Y141	V55-Q83 WeakPolarHBondContact CA-O 3.24Å; M56-Q83 HydrophobicContact CB-CB 4.16Å; M56-Q83 HydrophobicContact CE-CB 4.34Å; M56-Q83 PolarHBondContact N-O 3.06Å; M56-Q83 PolarHBondContact O-N 3.43Å; E81-Q83 HydrophobicContact CG-CG 4.24Å; E81-Q83 PolarHBondContact OE1-NE2 3.46Å; Q83-M140 VanDerWaalsContact CA-O 3.26Å; Q83-M140 WeakPolarHBondContact CA-O 3.47Å; Q83-Y141 HydrophobicContact CG-CD2 3.85Å; Q83-Y141 HydrophobicContact CG-CE2 4.41Å
84	W	95.8	Very high	94.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	175.5	174.7	70.2	99.5	0	0	0	109.2	V53 V55 I82 W110 L111 P112 V132 M140 W142	V53-W84 HydrophobicContact CG1-CB 4.35Å; V55-W84 HydrophobicContact CG2-CB 4.34Å; I82-W84 HydrophobicContact CG2-CE3 3.92Å; I82-W84 HydrophobicContact CG2-CZ3 4.08Å; W84-W110 AromaticContact CD1-CE3 3.96Å; W84-W110 AromaticContact CD1-CZ3 3.61Å; W84-W110 HydrophobicContact CG-CZ3 4.14Å; W84-W110 WeakPolarHBondContact CZ2-O 3.45Å; W84-W110 AromaticContact NE1-CE3 3.6Å; W84-W110 AromaticContact NE1-CZ3 3.71Å; W84-L111 HydrophobicContact CH2-CD2 3.52Å; W84-L111 HydrophobicContact CZ2-CD2 3.89Å; W84-P112 HydrophobicContact CD2-CG 4.5Å; W84-P112 HydrophobicContact CE3-CG 4.3Å; W84-V132 HydrophobicContact CH2-CG1 3.84Å; W84-V132 HydrophobicContact CH2-CG2 4.36Å; W84-V132 HydrophobicContact CZ2-CG1 4.31Å; W84-M140 HydrophobicContact CD2-CB 3.6Å; W84-M140 HydrophobicContact CD2-CG 4.15Å; W84-M140 VanDerWaalsContact CE2-CB 3.42Å; W84-M140 HydrophobicContact CE3-CB 3.92Å; W84-M140 HydrophobicContact CG-CB 4.12Å; W84-M140 HydrophobicContact CG-CG 4.36Å; W84-M140 HydrophobicContact CH2-CB 3.95Å; W84-M140 HydrophobicContact CZ2-CB 3.62Å; W84-M140 HydrophobicContact CZ2-CE 3.74Å; W84-M140 HydrophobicContact CZ2-CG 3.97Å; W84-M140 HydrophobicContact CZ3-CB 4.09Å; W84-M140 PolarHBondContact N-O 3.34Å; W84-M140 WeakPolarHBondContact O-CB 3.35Å; W84-M140 PolarHBondContact O-N 3.17Å; W84-W142 HydrophobicContact CH2-CB 3.99Å; W84-W142 HydrophobicContact CZ3-CB 3.72Å
85	S	95.4	Very high	93.9	Very high	48 Å²	48	43.1 Å²	43.1	34%	0.336	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.7	176.1	-174	0	0	0	0	110.5	G138	S85-G138 WeakPolarHBondContact CA-O 3.15Å
86	D	95.9	Very high	93.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.			trans	-119.8	104.4	170.5	-167.5	-25.9	0	0	0	109.7	Y39 P45 R88 L89 G138 M140	Y39-D86 WeakPolarHBondContact CE2-OD2 3.31Å; Y39-D86 PolarHBondContact OH-OD2 3.23Å; P45-D86 HydrophobicContact CB-CB 3.94Å; P45-D86 VanDerWaalsContact CB-CG 3.41Å; P45-D86 WeakPolarHBondContact CB-OD1 3.48Å; P45-D86 HydrophobicContact CG-CB 4.32Å; D86-R88 PolarHBondContact O-N 3.09Å; D86-R88 VanDerWaalsContact O-N 3.09Å; D86-R88 VanDerWaalsContact OD1-CB 3.29Å; D86-R88 WeakPolarHBondContact OD1-CB 3.18Å; D86-R88 IonicContact OD1-CZ 3.92Å; D86-R88 PolarHBondContact OD1-N 3.41Å; D86-R88 IonicContact OD1-NE 3.34Å; D86-R88 PolarHBondContact OD1-NE 3.42Å; D86-R88 IonicContact OD1-NH2 2.83Å; D86-R88 IonicContact OD2-CZ 3.72Å; D86-R88 IonicContact OD2-NE 2.67Å; D86-R88 IonicContact OD2-NH2 2.93Å; D86-R88 PolarHBondContact OD2-NH2 3.27Å; D86-L89 HydrophobicContact CB-CB 4.47Å; D86-L89 HydrophobicContact CB-CD1 4.22Å; D86-L89 HydrophobicContact CB-CG 4.42Å; D86-L89 PolarHBondContact O-N 3.01Å; D86-L89 VanDerWaalsContact O-N 3.09Å; D86-G138 PolarHBondContact N-O 3.25Å; D86-M140 HydrophobicContact CB-CG 4.2Å; D86-M140 HydrophobicContact CB-SD 4.38Å
87	Y	93.9	Very high	93.3	Very high	121 Å²	121	51.2 Å²	51.2	48%	0.475	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-60	-23.1	-178.1	76	-89.6	0	0	0	113.4	V47 L89	V47-Y87 HydrophobicContact CG2-CD1 3.77Å; V47-Y87 HydrophobicContact CG2-CD2 4.3Å; V47-Y87 HydrophobicContact CG2-CE1 3.98Å; V47-Y87 HydrophobicContact CG2-CE2 4.47Å; V47-Y87 HydrophobicContact CG2-CG 3.95Å; Y87-L89 VanDerWaalsContact C-N 3.29Å
88	R	94.3	Very high	93.1	Very high	56 Å²	56	51.4 Å²	51.4	21%	0.211	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-76.8	-20.3	-178.3	-56.4	169.5	-66.7	-173.1	1.3	112.2	Y39 N40 I43 D86	Y39-R88 HydrophobicContact CD2-CB 4.27Å; Y39-R88 HydrophobicContact CE2-CB 4.28Å; Y39-R88 PolarHBondContact OH-NH2 3.45Å; N40-R88 PolarHBondContact O-NH1 3.17Å; I43-R88 PolarHBondContact O-NH1 3.45Å; I43-R88 PolarHBondContact O-NH2 2.9Å; I43-R88 VanDerWaalsContact O-NH2 3.08Å; D86-R88 PolarHBondContact O-N 3.09Å; D86-R88 VanDerWaalsContact O-N 3.09Å; D86-R88 VanDerWaalsContact OD1-CB 3.29Å; D86-R88 WeakPolarHBondContact OD1-CB 3.18Å; D86-R88 IonicContact OD1-CZ 3.92Å; D86-R88 PolarHBondContact OD1-N 3.41Å; D86-R88 IonicContact OD1-NE 3.34Å; D86-R88 PolarHBondContact OD1-NE 3.42Å; D86-R88 IonicContact OD1-NH2 2.83Å; D86-R88 IonicContact OD2-CZ 3.72Å; D86-R88 IonicContact OD2-NE 2.67Å; D86-R88 IonicContact OD2-NH2 2.93Å; D86-R88 PolarHBondContact OD2-NH2 3.27Å
89	L	94.4	Very high	93	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-104.6	15.7	-176.3	-61.2	175	0	0	0	112.3	L35 F36 Y39 D86 Y87 W91 V109 I134 M140	L35-L89 HydrophobicContact CB-CD2 4.24Å; F36-L89 HydrophobicContact CE1-CD2 4.29Å; F36-L89 HydrophobicContact CZ-CD2 4.09Å; Y39-L89 HydrophobicContact CD2-CD1 4.48Å; Y39-L89 HydrophobicContact CD2-CD2 3.7Å; Y39-L89 HydrophobicContact CD2-CG 4.11Å; Y39-L89 HydrophobicContact CE2-CD1 3.74Å; Y39-L89 HydrophobicContact CE2-CD2 3.79Å; Y39-L89 HydrophobicContact CE2-CG 3.69Å; Y39-L89 HydrophobicContact CG-CD2 4.38Å; D86-L89 HydrophobicContact CB-CB 4.47Å; D86-L89 HydrophobicContact CB-CD1 4.22Å; D86-L89 HydrophobicContact CB-CG 4.42Å; D86-L89 PolarHBondContact O-N 3.01Å; D86-L89 VanDerWaalsContact O-N 3.09Å; Y87-L89 VanDerWaalsContact C-N 3.29Å; L89-W91 WeakPolarHBondContact O-CZ3 3.49Å; L89-V109 HydrophobicContact CD1-CG1 3.96Å; L89-I134 HydrophobicContact CB-CG2 4.17Å; L89-I134 HydrophobicContact CD1-CD1 4.04Å; L89-M140 HydrophobicContact CD1-CE 3.81Å; L89-M140 HydrophobicContact CD1-SD 3.96Å
90	A	94.1	Very high	92.9	Very high	46 Å²	46	52.6 Å²	52.6	38%	0.38	28%	0.28	S	S	.	.			trans	-84.8	142.3	172.9	0	0	0	0	0	111.6	S136	A90-S136 WeakPolarHBondContact CA-O 3.5Å
91	W	94	Very high	92.9	Very high	27 Å²	27	54.7 Å²	54.7	10%	0.102	29%	0.292	C	S	.	.			trans	-141	162.6	175.8	69.9	92.9	0	0	0	112	L31 L35 L89 Y96 I99 Q100 I102 I134 N135 S136	L31-W91 HydrophobicContact CD1-CB 3.96Å; L31-W91 HydrophobicContact CD1-CD2 4.01Å; L31-W91 HydrophobicContact CD1-CG 3.73Å; L31-W91 HydrophobicContact CD2-CD2 4Å; L31-W91 HydrophobicContact CD2-CG 4.28Å; L31-W91 HydrophobicContact CD2-CZ2 4.1Å; L35-W91 HydrophobicContact CD1-CE3 3.84Å; L35-W91 HydrophobicContact CD1-CZ3 4.21Å; L89-W91 WeakPolarHBondContact O-CZ3 3.49Å; W91-Y96 HydrophobicContact CB-CD2 4.41Å; W91-Y96 HydrophobicContact CB-CE2 4.34Å; W91-Y96 AromaticContact CD1-CD2 3.9Å; W91-Y96 HydrophobicContact CG-CD2 4.4Å; W91-I99 HydrophobicContact CZ2-CG2 4.33Å; W91-I99 PolarHBondContact NE1-O 3.48Å; W91-Q100 WeakPolarHBondContact CZ2-O 3.32Å; W91-I102 HydrophobicContact CH2-CD1 4.13Å; W91-I102 HydrophobicContact CH2-CG1 3.81Å; W91-I102 HydrophobicContact CH2-CG2 4.28Å; W91-I102 HydrophobicContact CZ2-CG2 4.28Å; W91-I102 HydrophobicContact CZ3-CD1 4.03Å; W91-I102 HydrophobicContact CZ3-CG1 4.16Å; W91-I134 HydrophobicContact CH2-CG2 4.26Å; W91-I134 WeakPolarHBondContact CH2-O 3.28Å; W91-I134 HydrophobicContact CZ3-CB 4.39Å; W91-I134 HydrophobicContact CZ3-CG2 3.73Å; W91-N135 VanDerWaalsContact CH2-C 3.43Å; W91-N135 WeakPolarHBondContact CZ3-O 3.15Å; W91-S136 PolarHBondContact N-O 3.43Å; W91-S136 VanDerWaalsContact O-O 3.14Å
92	N	94.1	Very high	92.9	Very high	91 Å²	91	53.7 Å²	53.7	49%	0.487	29%	0.288	S	S	.	.			trans	-90.1	118.7	173.1	-171.8	-16.3	0	0	0	110.3	S94 N95	N92-S94 PolarHBondContact O-N 2.92Å; N92-S94 VanDerWaalsContact O-N 3.15Å; N92-S94 WeakPolarHBondContact OD1-CB 3.19Å; N92-S94 PolarHBondContact OD1-N 2.95Å; N92-S94 VanDerWaalsContact OD1-N 3.13Å; N92-S94 PolarHBondContact OD1-OG 3.19Å; N92-N95 PolarHBondContact O-N 3.39Å; N92-N95 VanDerWaalsContact O-N 3.09Å
93	E	92.7	Very high	92.9	Very high	59 Å²	59	60.6 Å²	60.6	28%	0.276	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-53.7	-34.6	-179.7	-59.9	-179.7	-171	0	0	112.7	N95 Y96 G98 S136	E93-N95 PolarHBondContact O-N 3.3Å; E93-Y96 CarbonylContact O-C 3.58Å; E93-Y96 PolarHBondContact O-N 2.99Å; E93-Y96 VanDerWaalsContact O-N 3.17Å; E93-G98 WeakPolarHBondContact O-CA 3.29Å; E93-G98 PolarHBondContact O-N 3.36Å; E93-S136 WeakPolarHBondContact OE1-CB 3.24Å; E93-S136 PolarHBondContact OE1-OG 3.22Å
94	S	90.7	Very high	92.8	Very high	102 Å²	102	58.4 Å²	58.4	71%	0.713	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62.9	-29.4	-178.2	-56.5	0	0	0	0	112.9	N92	N92-S94 PolarHBondContact O-N 2.92Å; N92-S94 VanDerWaalsContact O-N 3.15Å; N92-S94 WeakPolarHBondContact OD1-CB 3.19Å; N92-S94 PolarHBondContact OD1-N 2.95Å; N92-S94 VanDerWaalsContact OD1-N 3.13Å; N92-S94 PolarHBondContact OD1-OG 3.19Å
95	N	89.4	Confident	92.8	Very high	114 Å²	114	61.2 Å²	61.2	61%	0.61	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-81.8	-18	-178.4	-67.9	-14.4	0	0	0	112.9	N92 E93	N92-N95 PolarHBondContact O-N 3.39Å; N92-N95 VanDerWaalsContact O-N 3.09Å; E93-N95 PolarHBondContact O-N 3.3Å
96	Y	88.4	Confident	92.6	Very high	36 Å²	36	62.5 Å²	62.5	14%	0.141	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-127.9	48.2	-172.7	-64	-82.3	0	0	0	110.8	L31 D34 W91 E93 G98 I99	L31-Y96 HydrophobicContact CB-CD1 3.68Å; L31-Y96 HydrophobicContact CB-CE1 3.87Å; L31-Y96 HydrophobicContact CB-CG 4.21Å; L31-Y96 HydrophobicContact CD1-CD1 3.96Å; L31-Y96 HydrophobicContact CD1-CD2 3.71Å; L31-Y96 HydrophobicContact CD1-CE1 3.89Å; L31-Y96 HydrophobicContact CD1-CE2 3.64Å; L31-Y96 HydrophobicContact CD1-CG 3.87Å; L31-Y96 HydrophobicContact CD2-CG 4.42Å; L31-Y96 HydrophobicContact CG-CD1 4.3Å; L31-Y96 HydrophobicContact CG-CE1 4.48Å; L31-Y96 HydrophobicContact CG-CG 4.39Å; D34-Y96 PolarHBondContact OD2-OH 3.03Å; W91-Y96 HydrophobicContact CB-CD2 4.41Å; W91-Y96 HydrophobicContact CB-CE2 4.34Å; W91-Y96 AromaticContact CD1-CD2 3.9Å; W91-Y96 HydrophobicContact CG-CD2 4.4Å; E93-Y96 CarbonylContact O-C 3.58Å; E93-Y96 PolarHBondContact O-N 2.99Å; E93-Y96 VanDerWaalsContact O-N 3.17Å; Y96-G98 PolarHBondContact O-N 3.49Å; Y96-I99 WeakPolarHBondContact O-CB 3.22Å; Y96-I99 WeakPolarHBondContact O-CD1 3.38Å; Y96-I99 WeakPolarHBondContact O-CG1 3.49Å; Y96-I99 PolarHBondContact O-N 3.09Å
97	H	86.1	Confident	92.4	Very high	148 Å²	148	66.3 Å²	66.3	69%	0.685	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	28.9	171.8	-65.1	-85.6	0	0	0	115.5	E27	E27-H97 IonicContact OE2-CD2 3.33Å
98	G	89.3	Confident	92.4	Very high	44 Å²	44	63.1 Å²	63.1	45%	0.454	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	19.7	179.5	0	0	0	0	0	114.6	E93 Y96 Q100	E93-G98 WeakPolarHBondContact O-CA 3.29Å; E93-G98 PolarHBondContact O-N 3.36Å; Y96-G98 PolarHBondContact O-N 3.49Å; G98-Q100 PolarHBondContact O-N 3.28Å
99	I	91.3	Very high	92.4	Very high	26 Å²	26	60.7 Å²	60.7	13%	0.133	33%	0.325	C	S	.	.			trans	-66.2	114.4	174.8	-65.7	163	0	0	0	109.2	E27 E28 L31 W91 Y96 I102	E27-I99 HydrophobicContact CB-CD1 4.16Å; E28-I99 HydrophobicContact CB-CD1 4.5Å; E28-I99 HydrophobicContact CG-CD1 3.76Å; E28-I99 HydrophobicContact CG-CG1 4.44Å; L31-I99 HydrophobicContact CD2-CB 4.4Å; L31-I99 HydrophobicContact CD2-CG2 3.98Å; W91-I99 HydrophobicContact CZ2-CG2 4.33Å; W91-I99 PolarHBondContact NE1-O 3.48Å; Y96-I99 WeakPolarHBondContact O-CB 3.22Å; Y96-I99 WeakPolarHBondContact O-CD1 3.38Å; Y96-I99 WeakPolarHBondContact O-CG1 3.49Å; Y96-I99 PolarHBondContact O-N 3.09Å; I99-I102 HydrophobicContact CG2-CG2 3.67Å
100	Q	92.1	Very high	92.5	Very high	116 Å²	116	60.9 Å²	60.9	54%	0.542	33%	0.326	S	S	.	.			trans	-92.5	-37.2	178.9	-65.2	-175.4	-20.7	0	0	112.6	W91 G98 N135 S136	W91-Q100 WeakPolarHBondContact CZ2-O 3.32Å; G98-Q100 PolarHBondContact O-N 3.28Å; Q100-N135 CarbonylContact O-C 3.58Å; Q100-N135 WeakPolarHBondContact O-CA 3.49Å; Q100-N135 PolarHBondContact O-OD1 2.99Å; Q100-S136 PolarHBondContact O-N 3.43Å
101	V	94.4	Very high	92.5	Very high	43 Å²	43	60.7 Å²	60.7	26%	0.261	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129	-173.3	178.8	0	0	0	0	110.9	R103 L133 I134	V101-R103 PolarHBondContact O-NH1 3.09Å; V101-L133 HydrophobicContact CG1-CB 4.22Å; V101-L133 HydrophobicContact CG1-CD2 4.26Å; V101-L133 HydrophobicContact CG1-CG 4.44Å; V101-I134 VanDerWaalsContact CA-O 3.27Å; V101-I134 WeakPolarHBondContact CA-O 3.01Å
102	I	94.1	Very high	92.5	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	152.9	171.5	63	176.3	0	0	0	110.7	L31 I32 L35 W91 I99 V104 L133 I134	L31-I102 HydrophobicContact CD2-CG2 3.69Å; I32-I102 HydrophobicContact CG1-CD1 4.24Å; L35-I102 HydrophobicContact CD1-CD1 3.71Å; W91-I102 HydrophobicContact CH2-CD1 4.13Å; W91-I102 HydrophobicContact CH2-CG1 3.81Å; W91-I102 HydrophobicContact CH2-CG2 4.28Å; W91-I102 HydrophobicContact CZ2-CG2 4.28Å; W91-I102 HydrophobicContact CZ3-CD1 4.03Å; W91-I102 HydrophobicContact CZ3-CG1 4.16Å; I99-I102 HydrophobicContact CG2-CG2 3.67Å; I102-V104 HydrophobicContact CD1-CG2 4.01Å; I102-V104 HydrophobicContact CG1-CG2 4.17Å; I102-L133 WeakPolarHBondContact O-CA 3.44Å; I102-I134 HydrophobicContact CD1-CB 4.33Å; I102-I134 HydrophobicContact CD1-CD1 4.18Å; I102-I134 HydrophobicContact CG1-CB 3.75Å; I102-I134 HydrophobicContact CG1-CD1 4.27Å; I102-I134 HydrophobicContact CG1-CG1 4.26Å; I102-I134 PolarHBondContact N-O 3.19Å; I102-I134 PolarHBondContact O-N 3.23Å
103	R	94.5	Very high	92.3	Very high	145 Å²	145	57.1 Å²	57.1	55%	0.547	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.9	176	-69.8	79.6	175	166.4	1.4	108.4	V101 N131 L133	V101-R103 PolarHBondContact O-NH1 3.09Å; R103-N131 HydrophobicContact CB-CB 4.5Å; R103-L133 HydrophobicContact CG-CG 4.26Å
104	V	94	Very high	92.3	Very high	4 Å²	4	55 Å²	55	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141	-176.4	-179.2	0	0	0	0	109.7	F36 I102 Y106 T108 V109 N131 V132 I134	F36-V104 HydrophobicContact CE1-CG1 4.44Å; F36-V104 HydrophobicContact CE2-CG1 4.01Å; F36-V104 HydrophobicContact CE2-CG2 4.01Å; F36-V104 HydrophobicContact CZ-CB 4.43Å; F36-V104 HydrophobicContact CZ-CG1 3.65Å; F36-V104 HydrophobicContact CZ-CG2 4.21Å; I102-V104 HydrophobicContact CD1-CG2 4.01Å; I102-V104 HydrophobicContact CG1-CG2 4.17Å; V104-Y106 PolarHBondContact O-N 2.85Å; V104-T108 WeakPolarHBondContact CG1-OG1 3.31Å; V104-V109 HydrophobicContact CG1-CG1 4.17Å; V104-N131 CarbonylContact O-C 3.56Å; V104-N131 WeakPolarHBondContact O-CA 3.32Å; V104-N131 WeakPolarHBondContact O-CB 3.21Å; V104-V132 PolarHBondContact N-O 3.42Å; V104-V132 PolarHBondContact O-N 3.12Å; V104-I134 HydrophobicContact CB-CD1 4.09Å; V104-I134 HydrophobicContact CG2-CD1 3.73Å; V104-I134 HydrophobicContact CG2-CG1 4.47Å
105	P	94.7	Very high	92.4	Very high	58 Å²	58	50.8 Å²	50.8	38%	0.377	26%	0.261	S	S	.	.			trans	-58.2	135.3	173.6	-24.2	35	0	0	0	112.2	N107 T108 N131	P105-N107 WeakPolarHBondContact CB-OD1 3.34Å; P105-N107 PolarHBondContact O-N 2.93Å; P105-N107 VanDerWaalsContact O-N 3.07Å; P105-T108 HydrophobicContact CB-CG2 4.46Å; P105-T108 PolarHBondContact O-N 3.4Å; P105-T108 VanDerWaalsContact O-N 3.11Å; P105-T108 PolarHBondContact O-OG1 3.2Å; P105-N131 WeakPolarHBondContact CA-OD1 3.4Å
106	Y	91.9	Very high	92.6	Very high	76 Å²	76	45.4 Å²	45.4	30%	0.298	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-51	-35	-178.3	73.9	-82.5	0	0	0	113.7	V104 T108 V109 L111 Y129	V104-Y106 PolarHBondContact O-N 2.85Å; Y106-T108 PolarHBondContact O-N 2.94Å; Y106-V109 WeakPolarHBondContact O-CG2 3.45Å; Y106-V109 PolarHBondContact O-N 3.36Å; Y106-L111 HydrophobicContact CD2-CD1 3.99Å; Y106-L111 WeakPolarHBondContact O-CD1 3.39Å; Y106-Y129 HydrophobicContact CD1-CG 4.33Å; Y106-Y129 WeakPolarHBondContact CD1-O 3.45Å; Y106-Y129 AromaticContact CD2-CD1 3.53Å; Y106-Y129 HydrophobicContact CD2-CD1 3.53Å; Y106-Y129 HydrophobicContact CD2-CE1 4.32Å; Y106-Y129 AromaticContact CD2-CG 3.95Å; Y106-Y129 HydrophobicContact CD2-CG 3.95Å; Y106-Y129 HydrophobicContact CE1-CG 4Å; Y106-Y129 AromaticContact CE2-CD1 3.47Å; Y106-Y129 HydrophobicContact CE2-CD1 3.47Å; Y106-Y129 VanDerWaalsContact CE2-CD1 3.47Å; Y106-Y129 HydrophobicContact CE2-CD2 4.32Å; Y106-Y129 HydrophobicContact CE2-CE1 4.11Å; Y106-Y129 AromaticContact CE2-CG 3.59Å; Y106-Y129 HydrophobicContact CE2-CG 3.59Å; Y106-Y129 HydrophobicContact CG-CD1 4.12Å; Y106-Y129 HydrophobicContact CG-CG 4.3Å; Y106-Y129 AromaticContact CZ-CG 3.6Å
107	N	92.4	Very high	92.7	Very high	80 Å²	80	46 Å²	46	43%	0.428	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-74.3	-7.5	-174.7	66.2	-6.8	0	0	0	114.9	K41 P105	K41-N107 VanDerWaalsContact CD-O 3.26Å; K41-N107 WeakPolarHBondContact CD-O 3.3Å; K41-N107 PolarHBondContact NZ-O 2.96Å; P105-N107 WeakPolarHBondContact CB-OD1 3.34Å; P105-N107 PolarHBondContact O-N 2.93Å; P105-N107 VanDerWaalsContact O-N 3.07Å
108	T	93.5	Very high	93	Very high	53 Å²	53	40.1 Å²	40.1	33%	0.325	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-98.9	-18.1	-179.9	63.1	0	0	0	0	113.5	Y39 V104 P105 Y106	Y39-T108 WeakPolarHBondContact CE1-O 3.49Å; V104-T108 WeakPolarHBondContact CG1-OG1 3.31Å; P105-T108 HydrophobicContact CB-CG2 4.46Å; P105-T108 PolarHBondContact O-N 3.4Å; P105-T108 VanDerWaalsContact O-N 3.11Å; P105-T108 PolarHBondContact O-OG1 3.2Å; Y106-T108 PolarHBondContact O-N 2.94Å
109	V	95.1	Very high	93	Very high	5 Å²	5	39 Å²	39	3%	0.03	19%	0.194	C	C	.	.	S	Bend	trans	-105.3	159.1	179.7	-64.4	0	0	0	0	110.9	F36 L89 V104 Y106 L111 V132 I134 M140	F36-V109 HydrophobicContact CE1-CG1 3.77Å; F36-V109 HydrophobicContact CZ-CG1 3.68Å; L89-V109 HydrophobicContact CD1-CG1 3.96Å; V104-V109 HydrophobicContact CG1-CG1 4.17Å; Y106-V109 WeakPolarHBondContact O-CG2 3.45Å; Y106-V109 PolarHBondContact O-N 3.36Å; V109-L111 HydrophobicContact CG2-CD2 4.05Å; V109-L111 HydrophobicContact CG2-CG 4.39Å; V109-V132 HydrophobicContact CG2-CB 4.32Å; V109-V132 HydrophobicContact CG2-CG2 3.91Å; V109-I134 HydrophobicContact CG1-CD1 4.22Å; V109-M140 HydrophobicContact CB-CE 4.05Å; V109-M140 HydrophobicContact CG1-CE 4.02Å; V109-M140 HydrophobicContact CG2-CE 4.17Å
110	W	95.7	Very high	92.6	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.019	21%	0.208	C	C	.	.			trans	-68.1	137.1	166.1	176	86.8	0	0	0	109	Y39 K41 R44 P45 V53 W84 P112 Y175 L180	Y39-W110 WeakPolarHBondContact OH-CB 3.48Å; Y39-W110 PolarHBondContact OH-N 2.95Å; K41-W110 WeakPolarHBondContact O-CA 3.48Å; K41-W110 WeakPolarHBondContact O-CB 3.34Å; R44-W110 HydrophobicContact CB-CZ2 3.95Å; P45-W110 HydrophobicContact CG-CD2 4.26Å; P45-W110 HydrophobicContact CG-CE3 3.68Å; P45-W110 HydrophobicContact CG-CH2 4.47Å; P45-W110 HydrophobicContact CG-CZ3 3.8Å; V53-W110 HydrophobicContact CG1-CH2 4.25Å; V53-W110 HydrophobicContact CG1-CZ3 4.28Å; W84-W110 AromaticContact CD1-CE3 3.96Å; W84-W110 AromaticContact CD1-CZ3 3.61Å; W84-W110 HydrophobicContact CG-CZ3 4.14Å; W84-W110 WeakPolarHBondContact CZ2-O 3.45Å; W84-W110 AromaticContact NE1-CE3 3.6Å; W84-W110 AromaticContact NE1-CZ3 3.71Å; W110-P112 HydrophobicContact CH2-CB 3.9Å; W110-P112 HydrophobicContact CH2-CG 4.47Å; W110-P112 HydrophobicContact CZ2-CB 4.46Å; W110-P112 HydrophobicContact CZ3-CB 4.35Å; W110-P112 HydrophobicContact CZ3-CG 4.44Å; W110-Y175 HydrophobicContact CZ2-CD2 4.5Å; W110-Y175 AromaticContact CZ2-CE2 3.82Å; W110-Y175 HydrophobicContact CZ2-CE2 3.82Å; W110-Y175 AromaticContact NE1-CZ 3.73Å; W110-Y175 PolarHBondContact NE1-OH 3.48Å; W110-L180 HydrophobicContact CH2-CD2 3.75Å; W110-L180 HydrophobicContact CZ2-CD2 4.04Å
111	L	94.1	Very high	91.8	Very high	42 Å²	42	40.1 Å²	40.1	22%	0.22	20%	0.203	C	C	.	.			trans	-127.8	137.6	178.3	-64.5	169.4	0	0	0	108.7	W84 Y106 V109 V132 W142	W84-L111 HydrophobicContact CH2-CD2 3.52Å; W84-L111 HydrophobicContact CZ2-CD2 3.89Å; Y106-L111 HydrophobicContact CD2-CD1 3.99Å; Y106-L111 WeakPolarHBondContact O-CD1 3.39Å; V109-L111 HydrophobicContact CG2-CD2 4.05Å; V109-L111 HydrophobicContact CG2-CG 4.39Å; L111-V132 HydrophobicContact CD2-CG2 3.9Å; L111-W142 HydrophobicContact CD2-CD2 4.31Å; L111-W142 HydrophobicContact CD2-CE3 4.31Å
112	P	93.8	Very high	90.6	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.019	22%	0.215	C	C	.	.			trans	-68.8	135.2	165.7	31	-33.5	0	0	0	109.3	V55 I82 W84 W110 I114 L180	V55-P112 HydrophobicContact CG1-CB 4.33Å; V55-P112 HydrophobicContact CG1-CG 3.97Å; V55-P112 HydrophobicContact CG2-CB 4.05Å; V55-P112 HydrophobicContact CG2-CG 4.25Å; I82-P112 HydrophobicContact CG2-CG 3.78Å; W84-P112 HydrophobicContact CD2-CG 4.5Å; W84-P112 HydrophobicContact CE3-CG 4.3Å; W110-P112 HydrophobicContact CH2-CB 3.9Å; W110-P112 HydrophobicContact CH2-CG 4.47Å; W110-P112 HydrophobicContact CZ2-CB 4.46Å; W110-P112 HydrophobicContact CZ3-CB 4.35Å; W110-P112 HydrophobicContact CZ3-CG 4.44Å; P112-I114 VanDerWaalsContact C-N 3.27Å; P112-I114 HydrophobicContact CB-CD1 4.21Å; P112-I114 HydrophobicContact CB-CG1 4.16Å; P112-I114 HydrophobicContact CG-CG1 4.38Å; P112-I114 PolarHBondContact O-N 2.9Å; P112-L180 HydrophobicContact CB-CD1 4.09Å
113	D	90.3	Very high	89.6	Confident	39 Å²	39	46 Å²	46	21%	0.209	24%	0.241	C	C	.	.			trans	-86.6	63.6	-177.2	63.8	-28.7	0	0	0	111.5	V115 S172 Q173 T174 Y175	D113-V115 PolarHBondContact O-N 2.81Å; D113-S172 WeakPolarHBondContact O-CA 3.47Å; D113-S172 PolarHBondContact OD1-OG 3.44Å; D113-Q173 PolarHBondContact O-N 3.49Å; D113-Q173 VanDerWaalsContact O-N 3.1Å; D113-Q173 WeakPolarHBondContact OD2-CA 3.44Å; D113-Q173 WeakPolarHBondContact OD2-CB 3.27Å; D113-Q173 PolarHBondContact OD2-N 2.97Å; D113-T174 PolarHBondContact OD1-OG1 2.88Å; D113-T174 WeakPolarHBondContact OD2-CA 3.31Å; D113-T174 WeakPolarHBondContact OD2-CB 3.29Å; D113-T174 WeakPolarHBondContact OD2-CG2 3.38Å; D113-T174 PolarHBondContact OD2-N 3.27Å; D113-T174 PolarHBondContact OD2-OG1 3.01Å; D113-Y175 VanDerWaalsContact OD1-CD2 3.32Å; D113-Y175 WeakPolarHBondContact OD1-CD2 3.46Å
114	I	92.6	Very high	88.4	Confident	15 Å²	15	42.6 Å²	42.6	8%	0.077	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.8	178.3	-51.8	-54	0	0	0	109.4	V55 I57 I80 I82 P112 F170 R171 L182	V55-I114 HydrophobicContact CG1-CG1 4.5Å; I57-I114 HydrophobicContact CD1-CD1 4.27Å; I57-I114 HydrophobicContact CD1-CG1 4.23Å; I57-I114 HydrophobicContact CD1-CG2 3.82Å; I80-I114 HydrophobicContact CD1-CG2 4.3Å; I82-I114 HydrophobicContact CD1-CB 4.12Å; I82-I114 HydrophobicContact CD1-CG1 4.23Å; P112-I114 VanDerWaalsContact C-N 3.27Å; P112-I114 HydrophobicContact CB-CD1 4.21Å; P112-I114 HydrophobicContact CB-CG1 4.16Å; P112-I114 HydrophobicContact CG-CG1 4.38Å; P112-I114 PolarHBondContact O-N 2.9Å; I114-F170 HydrophobicContact CG2-CB 4Å; I114-F170 HydrophobicContact CG2-CD1 4.05Å; I114-F170 HydrophobicContact CG2-CG 4.43Å; I114-R171 WeakPolarHBondContact CA-O 3.38Å; I114-L182 HydrophobicContact CD1-CD2 3.59Å
115	V	92.3	Very high	87.3	Confident	14 Å²	14	46.6 Å²	46.6	9%	0.085	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155.6	-176.9	-62.9	0	0	0	0	111.3	D113 E117 F124 F170 R171 Q173	D113-V115 PolarHBondContact O-N 2.81Å; V115-E117 VanDerWaalsContact CG2-OE1 3.27Å; V115-E117 WeakPolarHBondContact CG2-OE1 3.37Å; V115-F124 HydrophobicContact CB-CB 4.18Å; V115-F124 HydrophobicContact CB-CD1 4.34Å; V115-F124 HydrophobicContact CG1-CB 4Å; V115-F170 WeakPolarHBondContact O-CA 3.47Å; V115-R171 PolarHBondContact N-O 2.95Å; V115-R171 PolarHBondContact O-N 3.38Å; V115-R171 VanDerWaalsContact O-N 3.16Å; V115-Q173 HydrophobicContact CG1-CB 4.2Å; V115-Q173 HydrophobicContact CG2-CB 3.9Å
116	L	93.1	Very high	86.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	115.7	169.3	-179.8	77.8	0	0	0	109.7	N118 N119 F124 Y148 L168 V169 F170	L116-N118 VanDerWaalsContact CD1-OD1 3.3Å; L116-N118 WeakPolarHBondContact CD1-OD1 3.19Å; L116-N119 HydrophobicContact CD2-CB 4.18Å; L116-N119 HydrophobicContact CG-CB 4.43Å; L116-N119 WeakPolarHBondContact O-CB 3.43Å; L116-F124 WeakPolarHBondContact O-CD1 3.3Å; L116-Y148 HydrophobicContact CB-CD1 3.9Å; L116-Y148 HydrophobicContact CB-CE1 3.9Å; L116-Y148 HydrophobicContact CB-CG 4.5Å; L116-Y148 HydrophobicContact CD2-CD1 3.63Å; L116-Y148 HydrophobicContact CD2-CE1 4.46Å; L116-Y148 HydrophobicContact CD2-CG 3.74Å; L116-Y148 HydrophobicContact CG-CD1 4.38Å; L116-L168 HydrophobicContact CD1-CB 4.04Å; L116-L168 HydrophobicContact CD1-CD2 3.88Å; L116-L168 HydrophobicContact CD2-CD2 4.34Å; L116-V169 WeakPolarHBondContact CA-O 3.24Å; L116-F170 HydrophobicContact CB-CE1 4.27Å; L116-F170 HydrophobicContact CD1-CE1 4.37Å; L116-F170 HydrophobicContact CD1-CE2 4.41Å; L116-F170 HydrophobicContact CD1-CZ 4.22Å
117	E	90.8	Very high	85.8	Confident	48 Å²	48	44.2 Å²	44.2	22%	0.224	25%	0.251	C	S	.	.	S	Bend	trans	-80.1	-44.1	-174.3	-76.8	-60.8	153.3	0	0	114.6	V115 N119 V169 R171 Q173	V115-E117 VanDerWaalsContact CG2-OE1 3.27Å; V115-E117 WeakPolarHBondContact CG2-OE1 3.37Å; E117-N119 PolarHBondContact O-N 3.4Å; E117-V169 HydrophobicContact CB-CG1 4.43Å; E117-V169 PolarHBondContact N-O 3Å; E117-R171 HydrophobicContact CG-CB 4.47Å; E117-R171 VanDerWaalsContact CG-CD 3.47Å; E117-R171 HydrophobicContact CG-CG 3.42Å; E117-R171 VanDerWaalsContact CG-CG 3.42Å; E117-R171 WeakPolarHBondContact OE1-CG 3.42Å; E117-R171 IonicContact OE1-CZ 3.57Å; E117-R171 IonicContact OE1-NE 2.8Å; E117-R171 PolarHBondContact OE1-NE 2.98Å; E117-R171 IonicContact OE1-NH2 3.9Å; E117-R171 PolarHBondContact OE1-NH2 3.44Å; E117-R171 IonicContact OE2-CZ 2.82Å; E117-R171 IonicContact OE2-NE 3.35Å; E117-R171 PolarHBondContact OE2-NE 3.33Å; E117-R171 IonicContact OE2-NH2 3.48Å; E117-R171 PolarHBondContact OE2-NH2 3.4Å; E117-Q173 PolarHBondContact OE1-OE1 2.99Å
118	N	92.3	Very high	85.5	Confident	25 Å²	25	47.4 Å²	47.4	13%	0.134	26%	0.258	C	S	.	.	S	Bend	trans	-79.2	45.6	-180	68.5	-45.2	0	0	0	110.8	L116 S150 T151 T167 V169	L116-N118 VanDerWaalsContact CD1-OD1 3.3Å; L116-N118 WeakPolarHBondContact CD1-OD1 3.19Å; N118-S150 CarbonylContact O-C 3.59Å; N118-S150 WeakPolarHBondContact O-CA 3.44Å; N118-S150 WeakPolarHBondContact O-CB 3.43Å; N118-T151 PolarHBondContact ND2-O 3.05Å; N118-T151 PolarHBondContact O-N 2.92Å; N118-T151 PolarHBondContact O-OG1 3.1Å; N118-T167 PolarHBondContact ND2-O 3.4Å; N118-V169 HydrophobicContact CB-CG2 4.48Å; N118-V169 PolarHBondContact OD1-N 3.41Å
119	N	89.9	Confident	85.2	Confident	22 Å²	22	48.1 Å²	48.1	12%	0.118	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-93.1	143	178.4	-176.8	10.5	0	0	0	110.9	L116 E117 D121 Q123 F124 R149	L116-N119 HydrophobicContact CD2-CB 4.18Å; L116-N119 HydrophobicContact CG-CB 4.43Å; L116-N119 WeakPolarHBondContact O-CB 3.43Å; E117-N119 PolarHBondContact O-N 3.4Å; N119-D121 PolarHBondContact OD1-N 3.34Å; N119-Q123 PolarHBondContact ND2-N 3.32Å; N119-Q123 PolarHBondContact ND2-O 3.26Å; N119-F124 HydrophobicContact CB-CE1 4.28Å; N119-R149 WeakPolarHBondContact CA-O 3.48Å; N119-R149 PolarHBondContact OD1-O 3.19Å
120	I	82.3	Confident	85	Confident	83 Å²	83	48.7 Å²	48.7	43%	0.426	26%	0.261	S	S	.	.	S	Bend	trans	-97.4	-25.2	177.9	-157.9	168.9	0	0	0	113.6	T73 R149 T151	T73-I120 HydrophobicContact CG2-CB 4.31Å; T73-I120 HydrophobicContact CG2-CD1 3.5Å; T73-I120 VanDerWaalsContact CG2-CD1 3.5Å; T73-I120 HydrophobicContact CG2-CG1 4.47Å; T73-I120 HydrophobicContact CG2-CG2 3.71Å; I120-R149 HydrophobicContact CG2-CB 4.26Å; I120-R149 PolarHBondContact N-O 3.39Å; I120-T151 HydrophobicContact CB-CG2 3.83Å; I120-T151 HydrophobicContact CD1-CG2 4.32Å; I120-T151 HydrophobicContact CG1-CG2 4.19Å
121	D	75.9	Confident	85	Confident	82 Å²	82	52.1 Å²	52.1	44%	0.439	28%	0.28	S	S	.	.	S	Bend	trans	-86.6	-9.5	-168.3	-87.7	21.1	0	0	0	113.5	N119 Q123 R149	N119-D121 PolarHBondContact OD1-N 3.34Å; D121-Q123 HydrophobicContact CB-CB 4.45Å; D121-Q123 PolarHBondContact O-N 3.47Å; D121-Q123 VanDerWaalsContact O-N 3.15Å; D121-R149 IonicContact OD1-NH1 3.19Å; D121-R149 PolarHBondContact OD1-NH1 3.29Å; D121-R149 WeakPolarHBondContact OD2-CD 3.49Å; D121-R149 IonicContact OD2-CZ 2.72Å; D121-R149 IonicContact OD2-NE 2.61Å; D121-R149 PolarHBondContact OD2-NE 3.05Å; D121-R149 IonicContact OD2-NH1 2.66Å; D121-R149 PolarHBondContact OD2-NH1 3.47Å
122	G	70.5	Confident	85.1	Confident	50 Å²	50	50.1 Å²	50.1	52%	0.515	27%	0.269	S	S	.	.	S	Bend	trans	67.5	4.2	-172.2	0	0	0	0	0	114.4	F124	G122-F124 VanDerWaalsContact O-CD2 3.32Å; G122-F124 WeakPolarHBondContact O-CD2 3.38Å; G122-F124 WeakPolarHBondContact O-CE2 3.34Å
123	Q	72.4	Confident	85.2	Confident	116 Å²	116	52.9 Å²	52.9	54%	0.542	28%	0.283	S	S	.	.			trans	-93.9	91.8	175	-172	67.8	29.6	0	0	109.7	N119 D121 D125	N119-Q123 PolarHBondContact ND2-N 3.32Å; N119-Q123 PolarHBondContact ND2-O 3.26Å; D121-Q123 HydrophobicContact CB-CB 4.45Å; D121-Q123 PolarHBondContact O-N 3.47Å; D121-Q123 VanDerWaalsContact O-N 3.15Å; Q123-D125 VanDerWaalsContact C-N 3.33Å
124	F	68.5	Low	85.5	Confident	75 Å²	75	51 Å²	51	33%	0.329	27%	0.273	S	S	.	.			trans	-81.1	-14.2	-178	-61.7	-81.4	0	0	0	113.8	V115 L116 N119 G122	V115-F124 HydrophobicContact CB-CB 4.18Å; V115-F124 HydrophobicContact CB-CD1 4.34Å; V115-F124 HydrophobicContact CG1-CB 4Å; L116-F124 WeakPolarHBondContact O-CD1 3.3Å; N119-F124 HydrophobicContact CB-CE1 4.28Å; G122-F124 VanDerWaalsContact O-CD2 3.32Å; G122-F124 WeakPolarHBondContact O-CD2 3.38Å; G122-F124 WeakPolarHBondContact O-CE2 3.34Å
125	D	71.1	Confident	85.6	Confident	87 Å²	87	53 Å²	53	47%	0.465	28%	0.284	S	S	.	.	S	Bend	trans	-80.2	155.2	-175.5	-67.8	-12.8	0	0	0	113.6	Q123 Y129	Q123-D125 VanDerWaalsContact C-N 3.33Å; D125-Y129 HydrophobicContact CB-CE2 4.44Å; D125-Y129 WeakPolarHBondContact CB-OH 3.21Å; D125-Y129 PolarHBondContact OD1-OH 2.93Å; D125-Y129 PolarHBondContact OD2-OH 3.36Å
126	V	77.4	Confident	85.8	Confident	14 Å²	14	52.5 Å²	52.5	9%	0.085	28%	0.281	C	S	.	.			trans	-69.3	153.9	172	-63.3	0	0	0	0	112.1	I80 Y129 W142 P144 A146	I80-V126 HydrophobicContact CG2-CG1 4.39Å; V126-Y129 HydrophobicContact CG2-CD1 3.57Å; V126-Y129 HydrophobicContact CG2-CD2 4.09Å; V126-Y129 HydrophobicContact CG2-CE1 3.55Å; V126-Y129 HydrophobicContact CG2-CE2 4.08Å; V126-Y129 HydrophobicContact CG2-CG 3.85Å; V126-W142 HydrophobicContact CG1-CH2 4.46Å; V126-W142 HydrophobicContact CG2-CH2 4.26Å; V126-W142 HydrophobicContact CG2-CZ2 4.1Å; V126-P144 HydrophobicContact CB-CB 3.95Å; V126-P144 HydrophobicContact CB-CG 4.37Å; V126-P144 HydrophobicContact CG1-CB 4.01Å; V126-P144 HydrophobicContact CG1-CG 3.86Å; V126-P144 HydrophobicContact CG2-CB 3.85Å; V126-P144 HydrophobicContact CG2-CG 4.41Å; V126-A146 HydrophobicContact CB-CB 4.31Å; V126-A146 HydrophobicContact CG1-CB 4.2Å
127	A	77.3	Confident	85.8	Confident	71 Å²	71	57.9 Å²	57.9	59%	0.587	31%	0.31	S	S	*	.	S	Bend	trans	-73	-33.8	-176.1	0	0	0	0	0	112.7	P145	A127-P145 PolarHBondContact N-O 3.44Å
128	Y	86.5	Confident	85.9	Confident	146 Å²	146	55.6 Å²	55.6	57%	0.573	30%	0.299	S	S	*	.	S	Bend	trans	-138.8	120.4	174.3	176.5	-104.7	0	0	0	110.5	A130 P144 P145	Y128-A130 HydrophobicContact CD1-CB 3.99Å; Y128-A130 HydrophobicContact CE1-CB 3.85Å; Y128-A130 PolarHBondContact O-N 3.49Å; Y128-P144 VanDerWaalsContact O-CB 3.27Å; Y128-P144 WeakPolarHBondContact O-CB 3.34Å; Y128-P145 HydrophobicContact CD1-CG 4.23Å; Y128-P145 HydrophobicContact CG-CG 4.5Å; Y128-P145 PolarHBondContact N-O 3.47Å
129	Y	87.3	Confident	86	Confident	68 Å²	68	59.7 Å²	59.7	27%	0.267	31%	0.313	S	S	.	.			trans	-80.2	89.3	174.5	-68.9	-88.9	0	0	0	110.3	Y106 D125 V126 W142	Y106-Y129 HydrophobicContact CD1-CG 4.33Å; Y106-Y129 WeakPolarHBondContact CD1-O 3.45Å; Y106-Y129 AromaticContact CD2-CD1 3.53Å; Y106-Y129 HydrophobicContact CD2-CD1 3.53Å; Y106-Y129 HydrophobicContact CD2-CE1 4.32Å; Y106-Y129 AromaticContact CD2-CG 3.95Å; Y106-Y129 HydrophobicContact CD2-CG 3.95Å; Y106-Y129 HydrophobicContact CE1-CG 4Å; Y106-Y129 AromaticContact CE2-CD1 3.47Å; Y106-Y129 HydrophobicContact CE2-CD1 3.47Å; Y106-Y129 VanDerWaalsContact CE2-CD1 3.47Å; Y106-Y129 HydrophobicContact CE2-CD2 4.32Å; Y106-Y129 HydrophobicContact CE2-CE1 4.11Å; Y106-Y129 AromaticContact CE2-CG 3.59Å; Y106-Y129 HydrophobicContact CE2-CG 3.59Å; Y106-Y129 HydrophobicContact CG-CD1 4.12Å; Y106-Y129 HydrophobicContact CG-CG 4.3Å; Y106-Y129 AromaticContact CZ-CG 3.6Å; D125-Y129 HydrophobicContact CB-CE2 4.44Å; D125-Y129 WeakPolarHBondContact CB-OH 3.21Å; D125-Y129 PolarHBondContact OD1-OH 2.93Å; D125-Y129 PolarHBondContact OD2-OH 3.36Å; V126-Y129 HydrophobicContact CG2-CD1 3.57Å; V126-Y129 HydrophobicContact CG2-CD2 4.09Å; V126-Y129 HydrophobicContact CG2-CE1 3.55Å; V126-Y129 HydrophobicContact CG2-CE2 4.08Å; V126-Y129 HydrophobicContact CG2-CG 3.85Å; Y129-W142 HydrophobicContact CD1-CH2 4.39Å; Y129-W142 AromaticContact CD1-CZ2 3.85Å; Y129-W142 HydrophobicContact CD1-CZ2 3.85Å; Y129-W142 HydrophobicContact CE1-CH2 4.48Å; Y129-W142 HydrophobicContact CE1-CZ2 4.38Å
130	A	91.2	Very high	86.3	Confident	17 Å²	17	58.7 Å²	58.7	14%	0.14	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.1	159	175.6	0	0	0	0	0	111.9	Y128 W142	Y128-A130 HydrophobicContact CD1-CB 3.99Å; Y128-A130 HydrophobicContact CE1-CB 3.85Å; Y128-A130 PolarHBondContact O-N 3.49Å; A130-W142 PolarHBondContact O-NE1 3.03Å; A130-W142 VanDerWaalsContact O-NE1 3.14Å
131	N	95.3	Very high	87	Confident	78 Å²	78	58.1 Å²	58.1	42%	0.417	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-62.8	147.9	170.5	-68.6	-16.9	0	0	0	110.5	R103 V104 P105	R103-N131 HydrophobicContact CB-CB 4.5Å; V104-N131 CarbonylContact O-C 3.56Å; V104-N131 WeakPolarHBondContact O-CA 3.32Å; V104-N131 WeakPolarHBondContact O-CB 3.21Å; P105-N131 WeakPolarHBondContact CA-OD1 3.4Å
132	V	96.2	Very high	87.9	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.3	174.1	-173.3	0	0	0	0	108.5	W84 V104 V109 L111 M140 W142	W84-V132 HydrophobicContact CH2-CG1 3.84Å; W84-V132 HydrophobicContact CH2-CG2 4.36Å; W84-V132 HydrophobicContact CZ2-CG1 4.31Å; V104-V132 PolarHBondContact N-O 3.42Å; V104-V132 PolarHBondContact O-N 3.12Å; V109-V132 HydrophobicContact CG2-CB 4.32Å; V109-V132 HydrophobicContact CG2-CG2 3.91Å; L111-V132 HydrophobicContact CD2-CG2 3.9Å; V132-M140 HydrophobicContact CG1-CB 4.31Å; V132-M140 HydrophobicContact CG1-CE 3.75Å; V132-W142 HydrophobicContact CG1-CB 4.34Å; V132-W142 HydrophobicContact CG2-CB 4.2Å; V132-W142 HydrophobicContact CG2-CG 3.96Å
133	L	96.3	Very high	89.1	Confident	60 Å²	60	54.7 Å²	54.7	31%	0.314	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.6	172.7	-73.9	76.8	0	0	0	107.6	V101 I102 R103 M140 Y141	V101-L133 HydrophobicContact CG1-CB 4.22Å; V101-L133 HydrophobicContact CG1-CD2 4.26Å; V101-L133 HydrophobicContact CG1-CG 4.44Å; I102-L133 WeakPolarHBondContact O-CA 3.44Å; R103-L133 HydrophobicContact CG-CG 4.26Å; L133-M140 CarbonylContact O-C 3.48Å; L133-M140 WeakPolarHBondContact O-CA 3.49Å; L133-Y141 HydrophobicContact CB-CD1 4.5Å; L133-Y141 HydrophobicContact CD1-CD1 4.33Å; L133-Y141 PolarHBondContact N-O 2.91Å; L133-Y141 PolarHBondContact O-N 2.96Å
134	I	96.2	Very high	90.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.1	178.2	-46.6	-179.6	0	0	0	107	F36 L89 W91 V101 I102 V104 V109 M140	F36-I134 HydrophobicContact CZ-CD1 4.49Å; L89-I134 HydrophobicContact CB-CG2 4.17Å; L89-I134 HydrophobicContact CD1-CD1 4.04Å; W91-I134 HydrophobicContact CH2-CG2 4.26Å; W91-I134 WeakPolarHBondContact CH2-O 3.28Å; W91-I134 HydrophobicContact CZ3-CB 4.39Å; W91-I134 HydrophobicContact CZ3-CG2 3.73Å; V101-I134 VanDerWaalsContact CA-O 3.27Å; V101-I134 WeakPolarHBondContact CA-O 3.01Å; I102-I134 HydrophobicContact CD1-CB 4.33Å; I102-I134 HydrophobicContact CD1-CD1 4.18Å; I102-I134 HydrophobicContact CG1-CB 3.75Å; I102-I134 HydrophobicContact CG1-CD1 4.27Å; I102-I134 HydrophobicContact CG1-CG1 4.26Å; I102-I134 PolarHBondContact N-O 3.19Å; I102-I134 PolarHBondContact O-N 3.23Å; V104-I134 HydrophobicContact CB-CD1 4.09Å; V104-I134 HydrophobicContact CG2-CD1 3.73Å; V104-I134 HydrophobicContact CG2-CG1 4.47Å; V109-I134 HydrophobicContact CG1-CD1 4.22Å; I134-M140 HydrophobicContact CB-SD 4.01Å; I134-M140 HydrophobicContact CD1-CE 3.89Å; I134-M140 HydrophobicContact CD1-SD 4.02Å; I134-M140 HydrophobicContact CG1-CE 3.77Å; I134-M140 HydrophobicContact CG1-SD 3.61Å; I134-M140 HydrophobicContact CG2-SD 3.6Å; I134-M140 VanDerWaalsContact CG2-SD 3.6Å
135	N	95.9	Very high	91.3	Very high	57 Å²	57	47.3 Å²	47.3	31%	0.305	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	156	174.3	-161.5	2.5	0	0	0	110.6	W91 Q100 N137 G138 W139	W91-N135 VanDerWaalsContact CH2-C 3.43Å; W91-N135 WeakPolarHBondContact CZ3-O 3.15Å; Q100-N135 CarbonylContact O-C 3.58Å; Q100-N135 WeakPolarHBondContact O-CA 3.49Å; Q100-N135 PolarHBondContact O-OD1 2.99Å; N135-N137 PolarHBondContact O-N 3.08Å; N135-N137 VanDerWaalsContact O-N 3.09Å; N135-G138 PolarHBondContact O-N 2.88Å; N135-W139 HydrophobicContact CB-CB 4.07Å; N135-W139 PolarHBondContact N-O 3.21Å
136	S	94.8	Very high	92.3	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-33.1	-179.2	58	0	0	0	0	113.4	A90 W91 E93 Q100 G138	A90-S136 WeakPolarHBondContact CA-O 3.5Å; W91-S136 PolarHBondContact N-O 3.43Å; W91-S136 VanDerWaalsContact O-O 3.14Å; E93-S136 WeakPolarHBondContact OE1-CB 3.24Å; E93-S136 PolarHBondContact OE1-OG 3.22Å; Q100-S136 PolarHBondContact O-N 3.43Å; S136-G138 PolarHBondContact O-N 3.37Å
137	N	93.4	Very high	93	Very high	114 Å²	114	47.1 Å²	47.1	61%	0.61	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	0.2	177.8	-64.5	-18.2	0	0	0	114.6	N135 W139	N135-N137 PolarHBondContact O-N 3.08Å; N135-N137 VanDerWaalsContact O-N 3.09Å; N137-W139 VanDerWaalsContact C-N 3.34Å
138	G	93	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	84.9	3.6	-175.5	0	0	0	0	0	114.5	S85 D86 N135 S136	S85-G138 WeakPolarHBondContact CA-O 3.15Å; D86-G138 PolarHBondContact N-O 3.25Å; N135-G138 PolarHBondContact O-N 2.88Å; S136-G138 PolarHBondContact O-N 3.37Å
139	W	95.3	Very high	94.1	Very high	110 Å²	110	42.5 Å²	42.5	42%	0.417	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.6	172.9	-79.5	105.2	0	0	0	110.9	M56 N135 N137	M56-W139 HydrophobicContact CE-CE3 4.29Å; M56-W139 HydrophobicContact CE-CH2 3.5Å; M56-W139 HydrophobicContact CE-CZ3 3.26Å; N135-W139 HydrophobicContact CB-CB 4.07Å; N135-W139 PolarHBondContact N-O 3.21Å; N137-W139 VanDerWaalsContact C-N 3.34Å
140	M	95.7	Very high	94.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.6	-177.5	-53.5	-71.9	-72.8	0	0	108.6	Q83 W84 D86 L89 V109 V132 L133 I134	Q83-M140 VanDerWaalsContact CA-O 3.26Å; Q83-M140 WeakPolarHBondContact CA-O 3.47Å; W84-M140 HydrophobicContact CD2-CB 3.6Å; W84-M140 HydrophobicContact CD2-CG 4.15Å; W84-M140 VanDerWaalsContact CE2-CB 3.42Å; W84-M140 HydrophobicContact CE3-CB 3.92Å; W84-M140 HydrophobicContact CG-CB 4.12Å; W84-M140 HydrophobicContact CG-CG 4.36Å; W84-M140 HydrophobicContact CH2-CB 3.95Å; W84-M140 HydrophobicContact CZ2-CB 3.62Å; W84-M140 HydrophobicContact CZ2-CE 3.74Å; W84-M140 HydrophobicContact CZ2-CG 3.97Å; W84-M140 HydrophobicContact CZ3-CB 4.09Å; W84-M140 PolarHBondContact N-O 3.34Å; W84-M140 WeakPolarHBondContact O-CB 3.35Å; W84-M140 PolarHBondContact O-N 3.17Å; D86-M140 HydrophobicContact CB-CG 4.2Å; D86-M140 HydrophobicContact CB-SD 4.38Å; L89-M140 HydrophobicContact CD1-CE 3.81Å; L89-M140 HydrophobicContact CD1-SD 3.96Å; V109-M140 HydrophobicContact CB-CE 4.05Å; V109-M140 HydrophobicContact CG1-CE 4.02Å; V109-M140 HydrophobicContact CG2-CE 4.17Å; V132-M140 HydrophobicContact CG1-CB 4.31Å; V132-M140 HydrophobicContact CG1-CE 3.75Å; L133-M140 CarbonylContact O-C 3.48Å; L133-M140 WeakPolarHBondContact O-CA 3.49Å; I134-M140 HydrophobicContact CB-SD 4.01Å; I134-M140 HydrophobicContact CD1-CE 3.89Å; I134-M140 HydrophobicContact CD1-SD 4.02Å; I134-M140 HydrophobicContact CG1-CE 3.77Å; I134-M140 HydrophobicContact CG1-SD 3.61Å; I134-M140 HydrophobicContact CG2-SD 3.6Å; I134-M140 VanDerWaalsContact CG2-SD 3.6Å
141	Y	95.9	Very high	94.5	Very high	71 Å²	71	41.3 Å²	41.3	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.2	178.1	-179.9	-86.7	0	0	0	109.5	E81 Q83 L133 L143	E81-Y141 HydrophobicContact CG-CD2 4.24Å; E81-Y141 HydrophobicContact CG-CE2 3.47Å; E81-Y141 VanDerWaalsContact CG-CE2 3.47Å; E81-Y141 WeakPolarHBondContact OE1-CE2 3.27Å; E81-Y141 PolarHBondContact OE2-OH 2.99Å; Q83-Y141 HydrophobicContact CG-CD2 3.85Å; Q83-Y141 HydrophobicContact CG-CE2 4.41Å; L133-Y141 HydrophobicContact CB-CD1 4.5Å; L133-Y141 HydrophobicContact CD1-CD1 4.33Å; L133-Y141 PolarHBondContact N-O 2.91Å; L133-Y141 PolarHBondContact O-N 2.96Å; Y141-L143 HydrophobicContact CD1-CB 4.49Å; Y141-L143 HydrophobicContact CE1-CB 3.67Å; Y141-L143 HydrophobicContact CE1-CD2 4.28Å; Y141-L143 HydrophobicContact CE1-CG 4.49Å
142	W	95.9	Very high	94.4	Very high	15 Å²	15	37.8 Å²	37.8	6%	0.057	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.5	179	-172.3	43.4	0	0	0	110.2	I82 W84 L111 V126 Y129 A130 V132 P144	I82-W142 HydrophobicContact CB-CE3 4.23Å; I82-W142 HydrophobicContact CD1-CE3 3.65Å; I82-W142 HydrophobicContact CD1-CZ3 3.64Å; I82-W142 HydrophobicContact CG1-CE3 4.39Å; I82-W142 PolarHBondContact N-O 3.04Å; I82-W142 PolarHBondContact O-N 3.17Å; W84-W142 HydrophobicContact CH2-CB 3.99Å; W84-W142 HydrophobicContact CZ3-CB 3.72Å; L111-W142 HydrophobicContact CD2-CD2 4.31Å; L111-W142 HydrophobicContact CD2-CE3 4.31Å; V126-W142 HydrophobicContact CG1-CH2 4.46Å; V126-W142 HydrophobicContact CG2-CH2 4.26Å; V126-W142 HydrophobicContact CG2-CZ2 4.1Å; Y129-W142 HydrophobicContact CD1-CH2 4.39Å; Y129-W142 AromaticContact CD1-CZ2 3.85Å; Y129-W142 HydrophobicContact CD1-CZ2 3.85Å; Y129-W142 HydrophobicContact CE1-CH2 4.48Å; Y129-W142 HydrophobicContact CE1-CZ2 4.38Å; A130-W142 PolarHBondContact O-NE1 3.03Å; A130-W142 VanDerWaalsContact O-NE1 3.14Å; V132-W142 HydrophobicContact CG1-CB 4.34Å; V132-W142 HydrophobicContact CG2-CB 4.2Å; V132-W142 HydrophobicContact CG2-CG 3.96Å; W142-P144 VanDerWaalsContact C-CD 3.45Å; W142-P144 HydrophobicContact CD2-CG 3.84Å; W142-P144 HydrophobicContact CE3-CG 4.14Å; W142-P144 HydrophobicContact CG-CG 4.47Å; W142-P144 HydrophobicContact CH2-CG 3.88Å; W142-P144 HydrophobicContact CZ2-CB 3.84Å; W142-P144 HydrophobicContact CZ2-CG 3.57Å; W142-P144 HydrophobicContact CZ3-CG 4.16Å
143	L	94.9	Very high	94.1	Very high	44 Å²	44	41.8 Å²	41.8	23%	0.23	22%	0.215	C	C	.	.			trans	-128.4	69.2	-177.2	-172.6	73.2	0	0	0	111	W79 I80 E81 Y141	W79-L143 HydrophobicContact CB-CD1 3.89Å; W79-L143 HydrophobicContact CB-CG 4.29Å; W79-L143 HydrophobicContact CE3-CD2 3.81Å; W79-L143 HydrophobicContact CE3-CG 4.37Å; W79-L143 HydrophobicContact CZ3-CD2 4.25Å; I80-L143 WeakPolarHBondContact O-CA 3.32Å; E81-L143 HydrophobicContact CB-CD1 3.66Å; E81-L143 HydrophobicContact CG-CD1 4.2Å; Y141-L143 HydrophobicContact CD1-CB 4.49Å; Y141-L143 HydrophobicContact CE1-CB 3.67Å; Y141-L143 HydrophobicContact CE1-CD2 4.28Å; Y141-L143 HydrophobicContact CE1-CG 4.49Å
144	P	94.4	Very high	93.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.			trans	-74.7	136.2	173.8	31.3	-37.3	0	0	0	111.2	I80 V126 Y128 W142	I80-P144 HydrophobicContact CG2-CG 3.68Å; I80-P144 PolarHBondContact N-O 3.4Å; I80-P144 VanDerWaalsContact O-CD 3.24Å; I80-P144 WeakPolarHBondContact O-CD 3.39Å; V126-P144 HydrophobicContact CB-CB 3.95Å; V126-P144 HydrophobicContact CB-CG 4.37Å; V126-P144 HydrophobicContact CG1-CB 4.01Å; V126-P144 HydrophobicContact CG1-CG 3.86Å; V126-P144 HydrophobicContact CG2-CB 3.85Å; V126-P144 HydrophobicContact CG2-CG 4.41Å; Y128-P144 VanDerWaalsContact O-CB 3.27Å; Y128-P144 WeakPolarHBondContact O-CB 3.34Å; W142-P144 VanDerWaalsContact C-CD 3.45Å; W142-P144 HydrophobicContact CD2-CG 3.84Å; W142-P144 HydrophobicContact CE3-CG 4.14Å; W142-P144 HydrophobicContact CG-CG 4.47Å; W142-P144 HydrophobicContact CH2-CG 3.88Å; W142-P144 HydrophobicContact CZ2-CB 3.84Å; W142-P144 HydrophobicContact CZ2-CG 3.57Å; W142-P144 HydrophobicContact CZ3-CG 4.16Å
145	P	93.5	Very high	93.5	Very high	36 Å²	36	44.3 Å²	44.3	23%	0.234	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.3	165.7	33.4	-34.2	0	0	0	110	A127 Y128	A127-P145 PolarHBondContact N-O 3.44Å; Y128-P145 HydrophobicContact CD1-CG 4.23Å; Y128-P145 HydrophobicContact CG-CG 4.5Å; Y128-P145 PolarHBondContact N-O 3.47Å
146	A	91.9	Very high	93.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.5	-179	0	0	0	0	0	111.1	N77 V78 V126 Y148	N77-A146 PolarHBondContact OD1-O 3.32Å; V78-A146 HydrophobicContact CG2-CB 4.24Å; V78-A146 PolarHBondContact N-O 2.93Å; V78-A146 PolarHBondContact O-N 2.87Å; V78-A146 VanDerWaalsContact O-O 3.13Å; V126-A146 HydrophobicContact CB-CB 4.31Å; V126-A146 HydrophobicContact CG1-CB 4.2Å; A146-Y148 HydrophobicContact CB-CD2 4.05Å; A146-Y148 HydrophobicContact CB-CE1 4.11Å; A146-Y148 HydrophobicContact CB-CE2 3.52Å
147	I	92.3	Very high	93	Very high	98 Å²	98	43 Å²	43	50%	0.503	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.2	168.8	-60.2	174.6	0	0	0	106.3	I65 T75 T76	I65-I147 HydrophobicContact CD1-CG2 4.23Å; T75-I147 HydrophobicContact CG2-CG2 4.05Å; T76-I147 CarbonylContact O-C 3.51Å; T76-I147 WeakPolarHBondContact O-CA 3.31Å
148	Y	92.8	Very high	92.9	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.7	-178.1	-75	-50.3	0	0	0	111.3	T75 T76 V78 L116 A146 F170	T75-Y148 CarbonylContact C-O 3.51Å; T75-Y148 WeakPolarHBondContact CA-O 3.44Å; T76-Y148 PolarHBondContact N-O 2.87Å; T76-Y148 PolarHBondContact O-N 3.29Å; V78-Y148 HydrophobicContact CG2-CD2 3.39Å; V78-Y148 HydrophobicContact CG2-CE2 3.6Å; L116-Y148 HydrophobicContact CB-CD1 3.9Å; L116-Y148 HydrophobicContact CB-CE1 3.9Å; L116-Y148 HydrophobicContact CB-CG 4.5Å; L116-Y148 HydrophobicContact CD2-CD1 3.63Å; L116-Y148 HydrophobicContact CD2-CE1 4.46Å; L116-Y148 HydrophobicContact CD2-CG 3.74Å; L116-Y148 HydrophobicContact CG-CD1 4.38Å; A146-Y148 HydrophobicContact CB-CD2 4.05Å; A146-Y148 HydrophobicContact CB-CE1 4.11Å; A146-Y148 HydrophobicContact CB-CE2 3.52Å; Y148-F170 HydrophobicContact CD2-CE1 4.35Å; Y148-F170 HydrophobicContact CD2-CZ 4.02Å; Y148-F170 AromaticContact CE2-CE1 3.6Å; Y148-F170 HydrophobicContact CE2-CE1 3.6Å; Y148-F170 AromaticContact CE2-CZ 3.59Å; Y148-F170 HydrophobicContact CE2-CZ 3.59Å; Y148-F170 AromaticContact CZ-CE1 3.74Å
149	R	93.4	Very high	92.7	Very high	115 Å²	115	41.5 Å²	41.5	43%	0.434	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	92.4	172	-76.9	168.6	172.8	-170.9	8.3	108.9	L74 T75 N119 I120 D121	L74-R149 CarbonylContact O-C 3.41Å; L74-R149 VanDerWaalsContact O-CA 3.3Å; L74-R149 WeakPolarHBondContact O-CA 3.48Å; T75-R149 HydrophobicContact CG2-CG 4.13Å; N119-R149 WeakPolarHBondContact CA-O 3.48Å; N119-R149 PolarHBondContact OD1-O 3.19Å; I120-R149 HydrophobicContact CG2-CB 4.26Å; I120-R149 PolarHBondContact N-O 3.39Å; D121-R149 IonicContact OD1-NH1 3.19Å; D121-R149 PolarHBondContact OD1-NH1 3.29Å; D121-R149 WeakPolarHBondContact OD2-CD 3.49Å; D121-R149 IonicContact OD2-CZ 2.72Å; D121-R149 IonicContact OD2-NE 2.61Å; D121-R149 PolarHBondContact OD2-NE 3.05Å; D121-R149 IonicContact OD2-NH1 2.66Å; D121-R149 PolarHBondContact OD2-NH1 3.47Å
150	S	94.2	Very high	92.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	151	-179.3	66.3	0	0	0	0	112.4	T73 L74 N118 T167 L168	T73-S150 CarbonylContact C-O 3.54Å; T73-S150 WeakPolarHBondContact CA-O 3.47Å; L74-S150 PolarHBondContact N-O 3.33Å; L74-S150 PolarHBondContact O-N 3.23Å; N118-S150 CarbonylContact O-C 3.59Å; N118-S150 WeakPolarHBondContact O-CA 3.44Å; N118-S150 WeakPolarHBondContact O-CB 3.43Å; S150-T167 PolarHBondContact OG-O 2.98Å; S150-L168 WeakPolarHBondContact OG-CD2 3.42Å
151	T	93.2	Very high	92.4	Very high	60 Å²	60	37.6 Å²	37.6	37%	0.368	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.4	169.6	57	0	0	0	0	109	N118 I120	N118-T151 PolarHBondContact ND2-O 3.05Å; N118-T151 PolarHBondContact O-N 2.92Å; N118-T151 PolarHBondContact O-OG1 3.1Å; I120-T151 HydrophobicContact CB-CG2 3.83Å; I120-T151 HydrophobicContact CD1-CG2 4.32Å; I120-T151 HydrophobicContact CG1-CG2 4.19Å
152	C	93.3	Very high	92.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.034	18%	0.179	C	C	.	.			trans	-137.5	114.5	178.6	175.7	0	0	0	0	108.8	L67 E72 L74 I154 C166	L67-C152 HydrophobicContact CD1-CB 4.4Å; E72-C152 WeakPolarHBondContact CB-O 3.38Å; E72-C152 PolarHBondContact O-N 3.43Å; L74-C152 HydrophobicContact CB-CB 4.4Å; C152-I154 WeakPolarHBondContact O-CD1 3.5Å; C152-I154 PolarHBondContact O-N 3.46Å; C152-C166 HydrophobicContact CB-CB 3.67Å; C152-C166 WeakPolarHBondContact CB-SG 3.18Å; C152-C166 WeakPolarHBondContact SG-CA 3.34Å; C152-C166 WeakPolarHBondContact SG-CB 3.17Å; C152-C166 CovalentContact SG-SG 2.04Å; C152-C166 PolarHBondContact SG-SG 2.99Å
153	A	90.2	Very high	92.2	Very high	84 Å²	84	36.8 Å²	36.8	69%	0.694	19%	0.189	S	C	*	.			trans	-66.4	122.4	177.2	0	0	0	0	0	109.9
154	I	90.5	Very high	92.2	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.056	18%	0.179	C	C	.	.			trans	-92.7	125.5	-173.7	-55.8	-60.6	0	0	0	110.3	L67 E69 E72 C152 I156 Q164	L67-I154 HydrophobicContact CD1-CD1 3.95Å; L67-I154 HydrophobicContact CD2-CD1 3.71Å; L67-I154 HydrophobicContact CG-CD1 3.98Å; E69-I154 HydrophobicContact CB-CG2 4.42Å; E69-I154 HydrophobicContact CG-CG2 4.31Å; E72-I154 HydrophobicContact CB-CG1 4.42Å; E72-I154 HydrophobicContact CG-CG1 4.13Å; C152-I154 WeakPolarHBondContact O-CD1 3.5Å; C152-I154 PolarHBondContact O-N 3.46Å; I154-I156 HydrophobicContact CG2-CG2 3.8Å; I154-I156 PolarHBondContact O-N 2.97Å; I154-Q164 HydrophobicContact CD1-CG 4.45Å
155	E	89.8	Confident	92.2	Very high	102 Å²	102	38.5 Å²	38.5	48%	0.477	20%	0.199	S	C	.	.			trans	-90.2	105.9	171.1	-160.5	-175.8	154.1	0	0	110.4	T157 Q164	E155-T157 HydrophobicContact CG-CG2 3.97Å; E155-T157 WeakPolarHBondContact CG-OG1 3.42Å; E155-T157 WeakPolarHBondContact OE1-CG2 3.27Å; E155-T157 PolarHBondContact OE1-OG1 3.12Å; E155-Q164 PolarHBondContact O-NE2 3.42Å
156	I	89.2	Confident	92.3	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	19%	0.188	C	C	.	.			trans	-90	1.2	-176.4	62.8	163.7	0	0	0	114.5	I154 Y158 F159 V297 P298 T300 S303 P305	I154-I156 HydrophobicContact CG2-CG2 3.8Å; I154-I156 PolarHBondContact O-N 2.97Å; I156-Y158 VanDerWaalsContact C-N 3.27Å; I156-Y158 PolarHBondContact O-N 3.47Å; I156-Y158 VanDerWaalsContact O-N 3.16Å; I156-F159 WeakPolarHBondContact O-CB 3.5Å; I156-F159 PolarHBondContact O-N 3.23Å; I156-V297 HydrophobicContact CD1-CG1 4.47Å; I156-P298 HydrophobicContact CG2-CG 3.78Å; I156-T300 WeakPolarHBondContact CD1-OG1 3.12Å; I156-S303 VanDerWaalsContact CD1-O 3.3Å; I156-S303 WeakPolarHBondContact CD1-O 3.42Å; I156-P305 WeakPolarHBondContact O-CA 3.36Å; I156-P305 VanDerWaalsContact O-CB 3.32Å; I156-P305 WeakPolarHBondContact O-CB 3.44Å
157	T	89.6	Confident	92.5	Very high	27 Å²	27	39 Å²	39	17%	0.166	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-43.8	-172.8	48	0	0	0	0	113.2	E155 S303 L306	E155-T157 HydrophobicContact CG-CG2 3.97Å; E155-T157 WeakPolarHBondContact CG-OG1 3.42Å; E155-T157 WeakPolarHBondContact OE1-CG2 3.27Å; E155-T157 PolarHBondContact OE1-OG1 3.12Å; T157-S303 VanDerWaalsContact CG2-OG 3.29Å; T157-S303 WeakPolarHBondContact CG2-OG 3.23Å; T157-L306 PolarHBondContact O-N 3.36Å; T157-L306 VanDerWaalsContact O-N 3.12Å
158	Y	91.8	Very high	92.6	Very high	79 Å²	79	34.3 Å²	34.3	31%	0.31	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	11.6	-176.4	-63.4	-70.7	0	0	0	114.8	I156 F161 T495 N499	I156-Y158 VanDerWaalsContact C-N 3.27Å; I156-Y158 PolarHBondContact O-N 3.47Å; I156-Y158 VanDerWaalsContact O-N 3.16Å; Y158-F161 CarbonylContact O-C 3.4Å; Y158-F161 WeakPolarHBondContact O-CA 3.42Å; Y158-F161 PolarHBondContact O-N 3.26Å; Y158-T495 HydrophobicContact CE1-CG2 3.79Å; Y158-N499 WeakPolarHBondContact CB-ND2 3.23Å; Y158-N499 HydrophobicContact CD1-CB 4.09Å; Y158-N499 HydrophobicContact CD2-CB 4Å; Y158-N499 WeakPolarHBondContact CD2-OD1 3.38Å; Y158-N499 WeakPolarHBondContact CE2-OD1 3.25Å; Y158-N499 HydrophobicContact CG-CB 3.73Å; Y158-N499 VanDerWaalsContact CG-CG 3.48Å
159	F	89.9	Confident	92.7	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.022	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130.1	179.2	-178.9	-86.2	0	0	0	112.1	I156 Y246 V297 P305 I307	I156-F159 WeakPolarHBondContact O-CB 3.5Å; I156-F159 PolarHBondContact O-N 3.23Å; F159-Y246 HydrophobicContact CE1-CD1 4.17Å; F159-Y246 AromaticContact CE1-CE1 3.86Å; F159-Y246 HydrophobicContact CE1-CE1 3.86Å; F159-Y246 HydrophobicContact CE2-CE1 4.39Å; F159-Y246 HydrophobicContact CZ-CD1 4.11Å; F159-Y246 AromaticContact CZ-CE1 3.39Å; F159-Y246 HydrophobicContact CZ-CE1 3.39Å; F159-Y246 HydrophobicContact CZ-CE2 4.43Å; F159-Y246 AromaticContact CZ-CZ 3.58Å; F159-V297 HydrophobicContact CD1-CG2 4.42Å; F159-V297 HydrophobicContact CE1-CG2 4.16Å; F159-P305 HydrophobicContact CB-CB 4.09Å; F159-I307 HydrophobicContact CD1-CG2 3.8Å; F159-I307 HydrophobicContact CE1-CG2 4.24Å; F159-I307 PolarHBondContact O-N 3.32Å
160	P	91	Very high	92.8	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.013	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.7	13.9	8.2	39.5	-38.8	0	0	0	115.1	D162 R241 P243 Y246 I251	P160-D162 WeakPolarHBondContact CA-OD1 3.15Å; P160-D162 PolarHBondContact O-N 3.41Å; P160-R241 WeakPolarHBondContact O-CD 3.39Å; P160-P243 HydrophobicContact CB-CB 4.45Å; P160-P243 HydrophobicContact CG-CB 4.39Å; P160-Y246 HydrophobicContact CB-CD1 4.2Å; P160-Y246 HydrophobicContact CB-CD2 3.68Å; P160-Y246 HydrophobicContact CB-CE2 4.31Å; P160-Y246 HydrophobicContact CB-CG 3.62Å; P160-Y246 HydrophobicContact CG-CD2 4.49Å; P160-Y246 HydrophobicContact CG-CG 4.06Å; P160-I251 HydrophobicContact CG-CD1 4.47Å
161	F	92.4	Very high	92.8	Very high	27 Å²	27	31 Å²	31	12%	0.118	17%	0.166	C	C	.	.	S	Bend	trans	-95.3	32	175.8	-58.3	-86.1	0	0	0	111.3	Y158 P243 I247 I251 L306 F493 G496 N499	Y158-F161 CarbonylContact O-C 3.4Å; Y158-F161 WeakPolarHBondContact O-CA 3.42Å; Y158-F161 PolarHBondContact O-N 3.26Å; F161-P243 HydrophobicContact CD1-CB 4.05Å; F161-P243 HydrophobicContact CD1-CG 3.82Å; F161-P243 HydrophobicContact CE1-CB 3.93Å; F161-P243 HydrophobicContact CE1-CG 3.7Å; F161-P243 HydrophobicContact CZ-CB 4.45Å; F161-I247 HydrophobicContact CE1-CD1 4.13Å; F161-I247 HydrophobicContact CZ-CD1 4.15Å; F161-I247 HydrophobicContact CZ-CG1 4.22Å; F161-I251 HydrophobicContact CE2-CD1 4.14Å; F161-I251 HydrophobicContact CZ-CD1 4.28Å; F161-L306 HydrophobicContact CD2-CD2 4.21Å; F161-F493 AromaticContact CE2-CD1 3.95Å; F161-F493 HydrophobicContact CE2-CD1 3.95Å; F161-F493 HydrophobicContact CE2-CE1 4.32Å; F161-F493 HydrophobicContact CZ-CD1 4.39Å; F161-G496 VanDerWaalsContact CB-O 3.23Å; F161-G496 WeakPolarHBondContact CB-O 3.47Å; F161-N499 PolarHBondContact O-ND2 2.93Å
162	D	93.3	Very high	92.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.011	15%	0.149	C	C	.	.			trans	-84	150.4	-176.9	54.5	-55.7	0	0	0	112	P160 Q164 Q240 R241	P160-D162 WeakPolarHBondContact CA-OD1 3.15Å; P160-D162 PolarHBondContact O-N 3.41Å; D162-Q164 PolarHBondContact OD2-NE2 2.89Å; D162-Q240 PolarHBondContact O-NE2 2.92Å; D162-R241 WeakPolarHBondContact O-CB 3.42Å; D162-R241 PolarHBondContact O-N 2.66Å; D162-R241 IonicContact OD1-CZ 2.83Å; D162-R241 IonicContact OD1-NE 2.67Å; D162-R241 PolarHBondContact OD1-NE 3.49Å; D162-R241 IonicContact OD1-NH2 2.99Å; D162-R241 IonicContact OD2-CZ 3.47Å; D162-R241 IonicContact OD2-NE 2.68Å; D162-R241 PolarHBondContact OD2-NE 3.23Å; D162-R241 IonicContact OD2-NH2 3.78Å; D162-R241 PolarHBondContact OD2-NH2 3.31Å
163	Y	94.6	Very high	92.5	Very high	67 Å²	67	31.9 Å²	31.9	26%	0.263	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.7	159.4	67.8	-93.2	0	0	0	107.9	V238 I239 A501	Y163-V238 HydrophobicContact CD2-CG1 4.4Å; Y163-I239 CarbonylContact C-O 3.6Å; Y163-I239 WeakPolarHBondContact CA-O 3.38Å; Y163-A501 HydrophobicContact CD1-CB 4.45Å; Y163-A501 HydrophobicContact CD2-CB 4.46Å; Y163-A501 HydrophobicContact CG-CB 4.1Å
164	Q	94.9	Very high	92.6	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.2	-179.6	-56.2	-59.3	-24.1	0	0	109.3	L67 I154 E155 D162 W208 V238 I239	L67-Q164 HydrophobicContact CD2-CB 4.19Å; L67-Q164 HydrophobicContact CD2-CG 3.86Å; I154-Q164 HydrophobicContact CD1-CG 4.45Å; E155-Q164 PolarHBondContact O-NE2 3.42Å; D162-Q164 PolarHBondContact OD2-NE2 2.89Å; Q164-W208 HydrophobicContact CB-CZ3 4.4Å; Q164-W208 HydrophobicContact CG-CH2 3.6Å; Q164-W208 HydrophobicContact CG-CZ3 3.79Å; Q164-V238 WeakPolarHBondContact O-CA 3.3Å; Q164-I239 HydrophobicContact CB-CD1 4.42Å; Q164-I239 HydrophobicContact CB-CG1 3.95Å; Q164-I239 PolarHBondContact N-O 3.46Å; Q164-I239 PolarHBondContact O-N 3.12Å
165	N	94.6	Very high	92.7	Very high	78 Å²	78	33.5 Å²	33.5	42%	0.417	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	89.7	175.8	-175.4	6.7	0	0	0	108.7
166	C	95.8	Very high	92.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	144.5	-178.6	-63.4	0	0	0	0	111	L74 C152 N236 L237	L74-C166 HydrophobicContact CD2-CB 3.63Å; C152-C166 HydrophobicContact CB-CB 3.67Å; C152-C166 WeakPolarHBondContact CB-SG 3.18Å; C152-C166 WeakPolarHBondContact SG-CA 3.34Å; C152-C166 WeakPolarHBondContact SG-CB 3.17Å; C152-C166 CovalentContact SG-SG 2.04Å; C152-C166 PolarHBondContact SG-SG 2.99Å; C166-N236 CarbonylContact O-C 3.56Å; C166-N236 WeakPolarHBondContact O-CA 3.31Å; C166-L237 PolarHBondContact N-O 3.35Å; C166-L237 PolarHBondContact O-N 3.48Å
167	T	95.8	Very high	93	Very high	44 Å²	44	31.8 Å²	31.8	27%	0.27	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.5	-178	65.5	0	0	0	0	111.2	N118 S150 V234 F235 N236	N118-T167 PolarHBondContact ND2-O 3.4Å; S150-T167 PolarHBondContact OG-O 2.98Å; T167-V234 HydrophobicContact CG2-CG1 4.36Å; T167-F235 CarbonylContact C-O 3.48Å; T167-F235 WeakPolarHBondContact CA-O 3.38Å; T167-N236 WeakPolarHBondContact CG2-OD1 3.25Å
168	L	95.3	Very high	93.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111.9	168.7	-67	159.5	0	0	0	106.2	L59 L116 S150 F170 F235 L237	L59-L168 HydrophobicContact CD2-CD1 3.87Å; L116-L168 HydrophobicContact CD1-CB 4.04Å; L116-L168 HydrophobicContact CD1-CD2 3.88Å; L116-L168 HydrophobicContact CD2-CD2 4.34Å; S150-L168 WeakPolarHBondContact OG-CD2 3.42Å; L168-F170 HydrophobicContact CB-CE2 3.96Å; L168-F235 HydrophobicContact CB-CB 4.27Å; L168-F235 PolarHBondContact N-O 3.41Å; L168-F235 PolarHBondContact O-N 3.39Å; L168-L237 HydrophobicContact CD1-CD1 4.1Å
169	V	94.9	Very high	93.2	Very high	16 Å²	16	32.6 Å²	32.6	10%	0.097	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.9	-173	-176.9	0	0	0	0	109.4	L116 E117 N118 E232 V234	L116-V169 WeakPolarHBondContact CA-O 3.24Å; E117-V169 HydrophobicContact CB-CG1 4.43Å; E117-V169 PolarHBondContact N-O 3Å; N118-V169 HydrophobicContact CB-CG2 4.48Å; N118-V169 PolarHBondContact OD1-N 3.41Å; V169-E232 HydrophobicContact CG1-CB 4.01Å; V169-E232 HydrophobicContact CG1-CG 4.31Å; V169-E232 WeakPolarHBondContact CG1-OE2 3.47Å; V169-V234 HydrophobicContact CG1-CG2 4.43Å; V169-V234 HydrophobicContact CG2-CG1 4.27Å; V169-V234 HydrophobicContact CG2-CG2 4.35Å
170	F	94.9	Very high	93.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.8	177.7	-67	-85.2	0	0	0	111.3	L59 I80 I114 V115 L116 Y148 L168 E232 I233 F235	L59-F170 HydrophobicContact CD1-CE2 4.16Å; L59-F170 HydrophobicContact CD1-CZ 4.04Å; L59-F170 HydrophobicContact CD2-CE2 4.35Å; I80-F170 HydrophobicContact CD1-CD1 3.82Å; I80-F170 HydrophobicContact CD1-CE1 3.63Å; I80-F170 HydrophobicContact CD1-CZ 4.18Å; I114-F170 HydrophobicContact CG2-CB 4Å; I114-F170 HydrophobicContact CG2-CD1 4.05Å; I114-F170 HydrophobicContact CG2-CG 4.43Å; V115-F170 WeakPolarHBondContact O-CA 3.47Å; L116-F170 HydrophobicContact CB-CE1 4.27Å; L116-F170 HydrophobicContact CD1-CE1 4.37Å; L116-F170 HydrophobicContact CD1-CE2 4.41Å; L116-F170 HydrophobicContact CD1-CZ 4.22Å; Y148-F170 HydrophobicContact CD2-CE1 4.35Å; Y148-F170 HydrophobicContact CD2-CZ 4.02Å; Y148-F170 AromaticContact CE2-CE1 3.6Å; Y148-F170 HydrophobicContact CE2-CE1 3.6Å; Y148-F170 AromaticContact CE2-CZ 3.59Å; Y148-F170 HydrophobicContact CE2-CZ 3.59Å; Y148-F170 AromaticContact CZ-CE1 3.74Å; L168-F170 HydrophobicContact CB-CE2 3.96Å; F170-E232 WeakPolarHBondContact O-CA 3.5Å; F170-I233 PolarHBondContact N-O 2.86Å; F170-I233 PolarHBondContact O-N 3.31Å; F170-F235 AromaticContact CD2-CD2 3.53Å; F170-F235 HydrophobicContact CD2-CD2 3.53Å; F170-F235 AromaticContact CD2-CE2 3.56Å; F170-F235 HydrophobicContact CD2-CE2 3.56Å; F170-F235 AromaticContact CE2-CD2 3.61Å; F170-F235 HydrophobicContact CE2-CD2 3.61Å; F170-F235 AromaticContact CE2-CE2 3.83Å; F170-F235 HydrophobicContact CE2-CE2 3.83Å
171	R	92.9	Very high	93.5	Very high	34 Å²	34	33.4 Å²	33.4	13%	0.128	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	171.2	170	76.5	-179.8	178.5	175.9	-18.1	110.8	I114 V115 E117 E229	I114-R171 WeakPolarHBondContact CA-O 3.38Å; V115-R171 PolarHBondContact N-O 2.95Å; V115-R171 PolarHBondContact O-N 3.38Å; V115-R171 VanDerWaalsContact O-N 3.16Å; E117-R171 HydrophobicContact CG-CB 4.47Å; E117-R171 VanDerWaalsContact CG-CD 3.47Å; E117-R171 HydrophobicContact CG-CG 3.42Å; E117-R171 VanDerWaalsContact CG-CG 3.42Å; E117-R171 WeakPolarHBondContact OE1-CG 3.42Å; E117-R171 IonicContact OE1-CZ 3.57Å; E117-R171 IonicContact OE1-NE 2.8Å; E117-R171 PolarHBondContact OE1-NE 2.98Å; E117-R171 IonicContact OE1-NH2 3.9Å; E117-R171 PolarHBondContact OE1-NH2 3.44Å; E117-R171 IonicContact OE2-CZ 2.82Å; E117-R171 IonicContact OE2-NE 3.35Å; E117-R171 PolarHBondContact OE2-NE 3.33Å; E117-R171 IonicContact OE2-NH2 3.48Å; E117-R171 PolarHBondContact OE2-NH2 3.4Å; R171-E229 IonicContact CZ-OE1 3.71Å; R171-E229 VanDerWaalsContact NH1-CD 3.33Å; R171-E229 IonicContact NH1-OE1 3.73Å; R171-E229 PolarHBondContact NH1-OE1 2.91Å
172	S	93	Very high	93.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.5	167.2	171.2	0	0	0	0	109.9	D113 Y175	D113-S172 WeakPolarHBondContact O-CA 3.47Å; D113-S172 PolarHBondContact OD1-OG 3.44Å; S172-Y175 WeakPolarHBondContact OG-CB 3.21Å; S172-Y175 PolarHBondContact OG-N 3.41Å
173	Q	88.7	Confident	93.7	Very high	81 Å²	81	34 Å²	34	38%	0.379	17%	0.17	S	C	.	.	S	Bend	trans	-76.5	-26.4	179.6	-178.8	64.3	51	0	0	112.9	D113 V115 E117 L228	D113-Q173 PolarHBondContact O-N 3.49Å; D113-Q173 VanDerWaalsContact O-N 3.1Å; D113-Q173 WeakPolarHBondContact OD2-CA 3.44Å; D113-Q173 WeakPolarHBondContact OD2-CB 3.27Å; D113-Q173 PolarHBondContact OD2-N 2.97Å; V115-Q173 HydrophobicContact CG1-CB 4.2Å; V115-Q173 HydrophobicContact CG2-CB 3.9Å; E117-Q173 PolarHBondContact OE1-OE1 2.99Å; Q173-L228 VanDerWaalsContact O-CD1 3.3Å; Q173-L228 WeakPolarHBondContact O-CD1 3.29Å
174	T	91.3	Very high	93.7	Very high	89 Å²	89	31.4 Å²	31.4	55%	0.546	16%	0.16	S	C	.	.	S	Bend	trans	-123	-28.9	-171.4	60.9	0	0	0	0	114.3	D113	D113-T174 PolarHBondContact OD1-OG1 2.88Å; D113-T174 WeakPolarHBondContact OD2-CA 3.31Å; D113-T174 WeakPolarHBondContact OD2-CB 3.29Å; D113-T174 WeakPolarHBondContact OD2-CG2 3.38Å; D113-T174 PolarHBondContact OD2-N 3.27Å; D113-T174 PolarHBondContact OD2-OG1 3.01Å
175	Y	92.9	Very high	93.5	Very high	40 Å²	40	31.5 Å²	31.5	16%	0.157	16%	0.162	C	C	.	.			trans	-100.5	137.6	-174.3	-62.1	-72.5	0	0	0	112.8	R44 W110 D113 S172 E179 L180 L228	R44-Y175 HydrophobicContact CB-CE1 4.35Å; W110-Y175 HydrophobicContact CZ2-CD2 4.5Å; W110-Y175 AromaticContact CZ2-CE2 3.82Å; W110-Y175 HydrophobicContact CZ2-CE2 3.82Å; W110-Y175 AromaticContact NE1-CZ 3.73Å; W110-Y175 PolarHBondContact NE1-OH 3.48Å; D113-Y175 VanDerWaalsContact OD1-CD2 3.32Å; D113-Y175 WeakPolarHBondContact OD1-CD2 3.46Å; S172-Y175 WeakPolarHBondContact OG-CB 3.21Å; S172-Y175 PolarHBondContact OG-N 3.41Å; Y175-E179 HydrophobicContact CD1-CB 4.12Å; Y175-L180 HydrophobicContact CD2-CD1 3.43Å; Y175-L180 VanDerWaalsContact CD2-CD1 3.43Å; Y175-L180 HydrophobicContact CD2-CG 3.99Å; Y175-L180 HydrophobicContact CE2-CD1 4.33Å; Y175-L180 HydrophobicContact CG-CD1 3.73Å; Y175-L180 HydrophobicContact CG-CG 3.8Å; Y175-L228 WeakPolarHBondContact O-CD2 3.33Å
176	S	92.6	Very high	93.1	Very high	13 Å²	13	31.1 Å²	31.1	9%	0.091	16%	0.162	C	C	.	.			trans	-80.2	171	176.1	65.5	0	0	0	0	112.6	N178 E179 L180 D226	S176-N178 PolarHBondContact O-N 2.98Å; S176-N178 PolarHBondContact OG-N 3.12Å; S176-E179 PolarHBondContact N-OE2 3.24Å; S176-E179 VanDerWaalsContact N-OE2 3.1Å; S176-E179 PolarHBondContact O-N 2.97Å; S176-E179 PolarHBondContact OG-OE2 3.37Å; S176-L180 PolarHBondContact O-N 3.22Å; S176-D226 WeakPolarHBondContact CB-O 3.43Å
177	Y	92.8	Very high	92.4	Very high	56 Å²	56	35.6 Å²	35.6	22%	0.22	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-21	172	174.5	-105.3	0	0	0	113.3	K52 E179 L180 D181 P225 Y230 Q231	K52-Y177 VanDerWaalsContact CD-O 3.31Å; K52-Y177 WeakPolarHBondContact CD-O 3.4Å; K52-Y177 VanDerWaalsContact CE-O 3.3Å; K52-Y177 WeakPolarHBondContact CE-O 3.31Å; K52-Y177 VanDerWaalsContact NZ-CD1 3.28Å; K52-Y177 PolarHBondContact NZ-O 2.99Å; Y177-E179 VanDerWaalsContact C-N 3.26Å; Y177-L180 CarbonylContact C-O 3.57Å; Y177-L180 WeakPolarHBondContact CA-O 3.42Å; Y177-D181 WeakPolarHBondContact CE2-OD1 3.41Å; Y177-P225 WeakPolarHBondContact CB-O 3.29Å; Y177-P225 HydrophobicContact CD1-CB 4.13Å; Y177-P225 PolarHBondContact N-O 2.93Å; Y177-Y230 AromaticContact CD1-CD1 3.94Å; Y177-Y230 HydrophobicContact CD1-CD1 3.94Å; Y177-Y230 AromaticContact CD1-CE1 3.6Å; Y177-Y230 HydrophobicContact CD1-CE1 3.6Å; Y177-Y230 HydrophobicContact CD2-CD1 4.33Å; Y177-Y230 HydrophobicContact CD2-CE1 4.32Å; Y177-Y230 AromaticContact CE1-CE1 3.97Å; Y177-Y230 HydrophobicContact CE1-CE1 3.97Å; Y177-Y230 AromaticContact CG-CD1 3.7Å; Y177-Y230 HydrophobicContact CG-CD1 3.7Å; Y177-Y230 AromaticContact CG-CE1 3.77Å; Y177-Y230 HydrophobicContact CG-CE1 3.77Å; Y177-Q231 HydrophobicContact CD2-CB 4.47Å; Y177-Q231 HydrophobicContact CD2-CG 4.42Å
178	N	91.8	Very high	91.5	Very high	63 Å²	63	40.9 Å²	40.9	34%	0.337	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.6	175.6	-75.2	-26.6	0	0	0	113.8	K52 S176 D226	K52-N178 WeakPolarHBondContact CG-O 3.41Å; K52-N178 PolarHBondContact NZ-OD1 2.71Å; S176-N178 PolarHBondContact O-N 2.98Å; S176-N178 PolarHBondContact OG-N 3.12Å; N178-D226 PolarHBondContact ND2-OD1 2.78Å
179	E	93.1	Very high	90.5	Very high	60 Å²	60	48.7 Å²	48.7	28%	0.28	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-42.4	-178.9	-64.1	172	117.6	0	0	112.3	R44 K52 V53 Y175 S176 Y177	R44-E179 PolarHBondContact NH1-O 3.12Å; K52-E179 WeakPolarHBondContact CA-O 3.29Å; V53-E179 PolarHBondContact N-O 2.86Å; Y175-E179 HydrophobicContact CD1-CB 4.12Å; S176-E179 PolarHBondContact N-OE2 3.24Å; S176-E179 VanDerWaalsContact N-OE2 3.1Å; S176-E179 PolarHBondContact O-N 2.97Å; S176-E179 PolarHBondContact OG-OE2 3.37Å; Y177-E179 VanDerWaalsContact C-N 3.26Å
180	L	93.9	Very high	89.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.2	175.9	-63.4	-170.5	0	0	0	110.4	V53 V55 W110 P112 Y175 S176 Y177 Q231	V53-L180 HydrophobicContact CB-CD2 3.62Å; V53-L180 HydrophobicContact CG1-CD2 4.33Å; V53-L180 HydrophobicContact CG2-CD2 4.3Å; V53-L180 WeakPolarHBondContact O-CA 3.5Å; V55-L180 HydrophobicContact CG2-CD1 4.46Å; V55-L180 HydrophobicContact CG2-CD2 4.25Å; W110-L180 HydrophobicContact CH2-CD2 3.75Å; W110-L180 HydrophobicContact CZ2-CD2 4.04Å; P112-L180 HydrophobicContact CB-CD1 4.09Å; Y175-L180 HydrophobicContact CD2-CD1 3.43Å; Y175-L180 VanDerWaalsContact CD2-CD1 3.43Å; Y175-L180 HydrophobicContact CD2-CG 3.99Å; Y175-L180 HydrophobicContact CE2-CD1 4.33Å; Y175-L180 HydrophobicContact CG-CD1 3.73Å; Y175-L180 HydrophobicContact CG-CG 3.8Å; S176-L180 PolarHBondContact O-N 3.22Å; Y177-L180 CarbonylContact C-O 3.57Å; Y177-L180 WeakPolarHBondContact CA-O 3.42Å; L180-Q231 PolarHBondContact O-NE2 3.26Å
181	D	94.8	Very high	89.3	Confident	25 Å²	25	57.4 Å²	57.4	13%	0.134	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.5	169.7	-174.3	21.3	0	0	0	109.3	K52 V53 Q54 V55 Y177 K217	K52-D181 HydrophobicContact CB-CB 4.49Å; V53-D181 PolarHBondContact O-N 3.14Å; Q54-D181 WeakPolarHBondContact CA-O 3.38Å; Q54-D181 HydrophobicContact CG-CB 4.35Å; V55-D181 PolarHBondContact N-O 3.42Å; Y177-D181 WeakPolarHBondContact CE2-OD1 3.41Å; D181-K217 IonicContact OD1-NZ 2.92Å; D181-K217 PolarHBondContact OD1-NZ 2.83Å
182	L	95.1	Very high	89	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.9	179.2	-56.3	-176.5	0	0	0	109.5	V55 I57 I114 K217 Q231 I233	V55-L182 HydrophobicContact CB-CD2 4Å; V55-L182 HydrophobicContact CG1-CD2 4.41Å; I57-L182 HydrophobicContact CD1-CD2 4.2Å; I114-L182 HydrophobicContact CD1-CD2 3.59Å; L182-K217 VanDerWaalsContact O-CD 3.29Å; L182-K217 WeakPolarHBondContact O-CD 3.18Å; L182-K217 WeakPolarHBondContact O-CE 3.27Å; L182-K217 PolarHBondContact O-NZ 3.19Å; L182-Q231 HydrophobicContact CD1-CG 4.39Å; L182-I233 HydrophobicContact CB-CD1 4.16Å; L182-I233 HydrophobicContact CB-CG1 3.96Å
183	I	94.8	Very high	88.9	Confident	40 Å²	40	58.8 Å²	58.8	21%	0.205	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.6	177.4	55	167.2	0	0	0	110.1	Q54 V55 M56 I57	Q54-I183 HydrophobicContact CB-CD1 4.45Å; V55-I183 PolarHBondContact O-N 3.34Å; M56-I183 CarbonylContact C-O 3.58Å; M56-I183 WeakPolarHBondContact CA-O 3.28Å; M56-I183 HydrophobicContact CB-CG1 4.45Å; M56-I183 HydrophobicContact CG-CD1 3.49Å; M56-I183 VanDerWaalsContact CG-CD1 3.49Å; M56-I183 HydrophobicContact CG-CG1 3.6Å; M56-I183 HydrophobicContact SD-CD1 4.35Å; I57-I183 PolarHBondContact N-O 3.44Å
184	L	94.3	Very high	89	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	148.4	170.1	-68.9	166.9	0	0	0	108.9	I191 E193 A215 I233 F235	L184-I191 HydrophobicContact CB-CG2 3.67Å; L184-I191 HydrophobicContact CD1-CG2 4.19Å; L184-E193 HydrophobicContact CD1-CB 4.45Å; L184-E193 HydrophobicContact CD1-CG 4Å; L184-A215 HydrophobicContact CD1-CB 4.36Å; L184-A215 HydrophobicContact CD2-CB 3.83Å; L184-I233 HydrophobicContact CD2-CG2 3.66Å; L184-F235 HydrophobicContact CD2-CE1 4.26Å; L184-F235 HydrophobicContact CD2-CZ 4.24Å
185	A	90.3	Very high	89.1	Confident	6 Å²	6	52 Å²	52	5%	0.05	26%	0.262	C	S	.	.			trans	-57.8	147.2	176.9	0	0	0	0	0	111.5	I57 K58 F192	I57-A185 PolarHBondContact O-N 3Å; I57-A185 VanDerWaalsContact O-N 3.13Å; K58-A185 HydrophobicContact CB-CB 3.62Å; K58-A185 HydrophobicContact CD-CB 4.12Å; K58-A185 HydrophobicContact CG-CB 4.41Å; A185-F192 WeakPolarHBondContact O-CB 3.47Å; A185-F192 PolarHBondContact O-N 2.9Å
186	T	87.1	Confident	89.1	Confident	69 Å²	69	53.2 Å²	53.2	42%	0.423	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130	178.4	-54	0	0	0	0	108.2	E190	T186-E190 WeakPolarHBondContact CA-O 3.48Å
187	E	80	Confident	89.1	Confident	95 Å²	95	53.5 Å²	53.5	44%	0.444	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.1	175.3	-142.3	170	153.1	0	0	106.7	K58 D189 E190 F192	K58-E187 IonicContact NZ-OE2 3.58Å; K58-E187 PolarHBondContact NZ-OE2 3.23Å; E187-D189 VanDerWaalsContact C-N 3.29Å; E187-D189 PolarHBondContact O-N 3.43Å; E187-E190 PolarHBondContact N-O 3.42Å; E187-E190 PolarHBondContact O-N 3.25Å; E187-F192 HydrophobicContact CB-CD2 3.81Å; E187-F192 HydrophobicContact CB-CE2 3.28Å; E187-F192 HydrophobicContact CB-CZ 4.23Å; E187-F192 HydrophobicContact CG-CE2 4.17Å; E187-F192 WeakPolarHBondContact OE2-CE2 3.49Å; E187-F192 WeakPolarHBondContact OE2-CZ 3.43Å
188	D	76.3	Confident	88.8	Confident	155 Å²	155	53.9 Å²	53.9	83%	0.829	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	42.3	178.9	-59.8	-32.8	0	0	0	115	E190	D188-E190 PolarHBondContact O-N 2.87Å
189	D	75.4	Confident	88.3	Confident	164 Å²	164	56.6 Å²	56.6	88%	0.877	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	8.3	-175.3	-70.9	-29.3	0	0	0	115.7	E187	E187-D189 VanDerWaalsContact C-N 3.29Å; E187-D189 PolarHBondContact O-N 3.43Å
190	E	81	Confident	87.8	Confident	112 Å²	112	58.1 Å²	58.1	52%	0.523	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.9	171.3	-67.5	-164.5	169.6	0	0	112.3	T186 E187 D188	T186-E190 WeakPolarHBondContact CA-O 3.48Å; E187-E190 PolarHBondContact N-O 3.42Å; E187-E190 PolarHBondContact O-N 3.25Å; D188-E190 PolarHBondContact O-N 2.87Å
191	I	83.8	Confident	87.2	Confident	87 Å²	87	60.6 Å²	60.6	45%	0.446	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.6	177.6	-54	173.8	0	0	0	109.1	L184 E193	L184-I191 HydrophobicContact CB-CG2 3.67Å; L184-I191 HydrophobicContact CD1-CG2 4.19Å; I191-E193 HydrophobicContact CB-CG 4.21Å; I191-E193 HydrophobicContact CG2-CG 3.81Å; I191-E193 PolarHBondContact O-N 3.45Å
192	F	86.4	Confident	86.9	Confident	31 Å²	31	61.5 Å²	61.5	14%	0.136	34%	0.342	C	S	.	.			trans	-73.7	89.1	173.4	-93.4	-104.4	0	0	0	110.9	A185 E187 W194	A185-F192 WeakPolarHBondContact O-CB 3.47Å; A185-F192 PolarHBondContact O-N 2.9Å; E187-F192 HydrophobicContact CB-CD2 3.81Å; E187-F192 HydrophobicContact CB-CE2 3.28Å; E187-F192 HydrophobicContact CB-CZ 4.23Å; E187-F192 HydrophobicContact CG-CE2 4.17Å; E187-F192 WeakPolarHBondContact OE2-CE2 3.49Å; E187-F192 WeakPolarHBondContact OE2-CZ 3.43Å; F192-W194 VanDerWaalsContact C-N 3.32Å; F192-W194 HydrophobicContact CD1-CD2 4.45Å; F192-W194 AromaticContact CD1-CE2 3.7Å; F192-W194 HydrophobicContact CD1-CH2 4.24Å; F192-W194 AromaticContact CD1-CZ2 3.59Å; F192-W194 HydrophobicContact CD1-CZ2 3.59Å; F192-W194 AromaticContact CD1-NE1 3.89Å; F192-W194 AromaticContact CE1-CE2 3.79Å; F192-W194 HydrophobicContact CE1-CH2 4.27Å; F192-W194 AromaticContact CE1-CZ2 3.41Å; F192-W194 HydrophobicContact CE1-CZ2 3.41Å; F192-W194 VanDerWaalsContact CE1-CZ2 3.41Å; F192-W194 AromaticContact CE1-NE1 3.89Å; F192-W194 HydrophobicContact CE2-CZ2 4.41Å; F192-W194 HydrophobicContact CG-CH2 4.45Å; F192-W194 HydrophobicContact CG-CZ2 4.24Å; F192-W194 HydrophobicContact CZ-CH2 4.46Å; F192-W194 AromaticContact CZ-CZ2 3.87Å; F192-W194 HydrophobicContact CZ-CZ2 3.87Å; F192-W194 PolarHBondContact O-N 2.87Å
193	E	90.4	Very high	86.4	Confident	36 Å²	36	65.5 Å²	65.5	17%	0.168	37%	0.367	C	S	.	.			trans	-95.5	32.5	179.4	-60.5	179.6	-179.1	0	0	113.2	L184 I191 A215 K511 Y513	L184-E193 HydrophobicContact CD1-CB 4.45Å; L184-E193 HydrophobicContact CD1-CG 4Å; I191-E193 HydrophobicContact CB-CG 4.21Å; I191-E193 HydrophobicContact CG2-CG 3.81Å; I191-E193 PolarHBondContact O-N 3.45Å; E193-A215 WeakPolarHBondContact CA-O 3.23Å; E193-A215 WeakPolarHBondContact CB-O 3.35Å; E193-A215 PolarHBondContact O-N 2.94Å; E193-K511 IonicContact OE1-NZ 3.16Å; E193-K511 PolarHBondContact OE1-NZ 3.44Å; E193-K511 VanDerWaalsContact OE1-NZ 3.11Å; E193-K511 WeakPolarHBondContact OE2-CE 3.49Å; E193-K511 IonicContact OE2-NZ 3.67Å; E193-K511 PolarHBondContact OE2-NZ 3.08Å; E193-Y513 HydrophobicContact CB-CD1 3.75Å; E193-Y513 HydrophobicContact CB-CE1 4.15Å; E193-Y513 WeakPolarHBondContact O-CD1 3.42Å; E193-Y513 WeakPolarHBondContact OE2-CD1 3.35Å; E193-Y513 WeakPolarHBondContact OE2-CE1 3.23Å
194	W	92	Very high	86	Confident	26 Å²	26	70.5 Å²	70.5	10%	0.098	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-146.3	157.1	175.8	61.5	87.4	0	0	0	112.1	F192 H196 R213 Y513 P515	F192-W194 VanDerWaalsContact C-N 3.32Å; F192-W194 HydrophobicContact CD1-CD2 4.45Å; F192-W194 AromaticContact CD1-CE2 3.7Å; F192-W194 HydrophobicContact CD1-CH2 4.24Å; F192-W194 AromaticContact CD1-CZ2 3.59Å; F192-W194 HydrophobicContact CD1-CZ2 3.59Å; F192-W194 AromaticContact CD1-NE1 3.89Å; F192-W194 AromaticContact CE1-CE2 3.79Å; F192-W194 HydrophobicContact CE1-CH2 4.27Å; F192-W194 AromaticContact CE1-CZ2 3.41Å; F192-W194 HydrophobicContact CE1-CZ2 3.41Å; F192-W194 VanDerWaalsContact CE1-CZ2 3.41Å; F192-W194 AromaticContact CE1-NE1 3.89Å; F192-W194 HydrophobicContact CE2-CZ2 4.41Å; F192-W194 HydrophobicContact CG-CH2 4.45Å; F192-W194 HydrophobicContact CG-CZ2 4.24Å; F192-W194 HydrophobicContact CZ-CH2 4.46Å; F192-W194 AromaticContact CZ-CZ2 3.87Å; F192-W194 HydrophobicContact CZ-CZ2 3.87Å; F192-W194 PolarHBondContact O-N 2.87Å; W194-H196 PolarHBondContact O-N 2.96Å; W194-R213 CarbonylContact C-O 3.48Å; W194-R213 VanDerWaalsContact CA-O 3.23Å; W194-R213 WeakPolarHBondContact CA-O 3.35Å; W194-R213 WeakPolarHBondContact CB-O 3.08Å; W194-Y513 WeakPolarHBondContact CB-O 3.36Å; W194-P515 HydrophobicContact CH2-CB 4.46Å; W194-P515 HydrophobicContact CZ2-CB 3.8Å
195	V	93.4	Very high	85.9	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.006	39%	0.394	C	S	.	.			trans	-70.9	122.4	169	-175.2	0	0	0	0	108.4	L59 L61 R213 F235 L237	L59-V195 HydrophobicContact CB-CG1 4.45Å; L59-V195 HydrophobicContact CD2-CG1 4.2Å; L59-V195 HydrophobicContact CD2-CG2 4.27Å; L59-V195 HydrophobicContact CG-CG1 4.39Å; L61-V195 HydrophobicContact CB-CG1 3.67Å; V195-R213 HydrophobicContact CB-CB 4.07Å; V195-R213 HydrophobicContact CB-CG 4.42Å; V195-R213 HydrophobicContact CG2-CB 4.33Å; V195-R213 PolarHBondContact N-O 2.93Å; V195-R213 WeakPolarHBondContact O-CD 3.36Å; V195-R213 PolarHBondContact O-NE 3.04Å; V195-F235 HydrophobicContact CG2-CB 3.86Å; V195-F235 HydrophobicContact CG2-CD1 3.68Å; V195-F235 HydrophobicContact CG2-CG 4.17Å; V195-L237 HydrophobicContact CG2-CD2 4.2Å
196	H	92.8	Very high	85.9	Confident	66 Å²	66	74.4 Å²	74.4	31%	0.306	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-73.3	138.4	177.5	-177.1	-104.6	0	0	0	110	L59 T60 L61 W194	L59-H196 PolarHBondContact O-N 2.95Å; T60-H196 CarbonylContact C-O 3.58Å; T60-H196 VanDerWaalsContact CA-O 3.29Å; T60-H196 WeakPolarHBondContact CA-O 3.36Å; T60-H196 HydrophobicContact CG2-CB 4.47Å; L61-H196 PolarHBondContact N-O 3.03Å; W194-H196 PolarHBondContact O-N 2.96Å
197	I	91.6	Very high	86	Confident	19 Å²	19	74.1 Å²	74.1	10%	0.097	42%	0.419	C	S	.	.			trans	-129.7	114.6	175.2	-60	-165.9	0	0	0	106.6	L61 P199 F202 I210	L61-I197 HydrophobicContact CB-CG1 4.3Å; L61-I197 HydrophobicContact CD2-CD1 4.15Å; I197-P199 WeakPolarHBondContact O-CD 3.41Å; I197-F202 HydrophobicContact CD1-CD2 4.46Å; I197-F202 HydrophobicContact CD1-CE2 4.15Å; I197-F202 HydrophobicContact CD1-CZ 4.34Å; I197-F202 HydrophobicContact CG2-CB 3.46Å; I197-F202 VanDerWaalsContact CG2-CB 3.46Å; I197-F202 HydrophobicContact CG2-CD1 3.74Å; I197-F202 HydrophobicContact CG2-CD2 3.45Å; I197-F202 VanDerWaalsContact CG2-CD2 3.45Å; I197-F202 HydrophobicContact CG2-CE1 4.3Å; I197-F202 HydrophobicContact CG2-CE2 4.1Å; I197-F202 HydrophobicContact CG2-CG 3.27Å; I197-F202 HydrophobicContact CG2-CZ 4.49Å; I197-I210 HydrophobicContact CD1-CD1 3.82Å
198	D	86.3	Confident	86.7	Confident	63 Å²	63	69.9 Å²	69.9	34%	0.337	40%	0.399	S	S	.	.			trans	-76.9	115	174.1	177.8	1.3	0	0	0	109.2	A200 A201 F202	D198-A200 PolarHBondContact O-N 3.44Å; D198-A200 VanDerWaalsContact O-N 3.14Å; D198-A200 WeakPolarHBondContact OD1-CB 3.2Å; D198-A200 PolarHBondContact OD1-N 2.73Å; D198-A201 HydrophobicContact CB-CB 4.2Å; D198-A201 PolarHBondContact O-N 2.85Å; D198-F202 WeakPolarHBondContact O-CB 3.5Å; D198-F202 PolarHBondContact O-N 3.39Å
199	P	82.6	Confident	87.5	Confident	120 Å²	120	64.1 Å²	64.1	78%	0.779	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21	-178.8	27.8	-36.1	0	0	0	113.4	I197	I197-P199 WeakPolarHBondContact O-CD 3.41Å
200	A	82.1	Confident	88.4	Confident	93 Å²	93	58.3 Å²	58.3	77%	0.769	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-32	178.7	0	0	0	0	0	113.1	D198	D198-A200 PolarHBondContact O-N 3.44Å; D198-A200 VanDerWaalsContact O-N 3.14Å; D198-A200 WeakPolarHBondContact OD1-CB 3.2Å; D198-A200 PolarHBondContact OD1-N 2.73Å
201	A	80.3	Confident	88.9	Confident	52 Å²	52	56.1 Å²	56.1	43%	0.43	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-13.3	-176.7	0	0	0	0	0	113.7	D198	D198-A201 HydrophobicContact CB-CB 4.2Å; D198-A201 PolarHBondContact O-N 2.85Å
202	F	88.2	Confident	89.4	Confident	44 Å²	44	53.2 Å²	53.2	19%	0.193	32%	0.32	C	S	.	.			trans	-79.5	125.9	-177.1	-179.6	-110.2	0	0	0	112.3	L61 T62 I197 D198 E204 I210	L61-F202 HydrophobicContact CD2-CE2 4.21Å; L61-F202 HydrophobicContact CG-CE2 4.47Å; T62-F202 WeakPolarHBondContact O-CA 3.49Å; T62-F202 WeakPolarHBondContact O-CD2 3.33Å; I197-F202 HydrophobicContact CD1-CD2 4.46Å; I197-F202 HydrophobicContact CD1-CE2 4.15Å; I197-F202 HydrophobicContact CD1-CZ 4.34Å; I197-F202 HydrophobicContact CG2-CB 3.46Å; I197-F202 VanDerWaalsContact CG2-CB 3.46Å; I197-F202 HydrophobicContact CG2-CD1 3.74Å; I197-F202 HydrophobicContact CG2-CD2 3.45Å; I197-F202 VanDerWaalsContact CG2-CD2 3.45Å; I197-F202 HydrophobicContact CG2-CE1 4.3Å; I197-F202 HydrophobicContact CG2-CE2 4.1Å; I197-F202 HydrophobicContact CG2-CG 3.27Å; I197-F202 HydrophobicContact CG2-CZ 4.49Å; D198-F202 WeakPolarHBondContact O-CB 3.5Å; D198-F202 PolarHBondContact O-N 3.39Å; F202-E204 HydrophobicContact CD1-CG 4.15Å; F202-E204 HydrophobicContact CE1-CB 4.31Å; F202-E204 HydrophobicContact CE1-CG 3.48Å; F202-E204 VanDerWaalsContact CE1-CG 3.48Å; F202-E204 HydrophobicContact CZ-CG 4.32Å; F202-I210 HydrophobicContact CE2-CD1 3.95Å; F202-I210 HydrophobicContact CZ-CD1 3.65Å
203	T	86.5	Confident	89.7	Confident	85 Å²	85	55.2 Å²	55.2	52%	0.521	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-104.1	119.3	167.3	62.3	0	0	0	0	110.4	N63	N63-T203 VanDerWaalsContact CG-OG1 3.24Å; N63-T203 PolarHBondContact OD1-N 3.45Å; N63-T203 PolarHBondContact OD1-OG1 3.47Å
204	E	86.1	Confident	90	Very high	145 Å²	145	53.5 Å²	53.5	68%	0.678	32%	0.319	S	S	*	.			trans	-64	137.2	176.1	-86.7	-170.8	-155.8	0	0	111.4	F202 K242	F202-E204 HydrophobicContact CD1-CG 4.15Å; F202-E204 HydrophobicContact CE1-CB 4.31Å; F202-E204 HydrophobicContact CE1-CG 3.48Å; F202-E204 VanDerWaalsContact CE1-CG 3.48Å; F202-E204 HydrophobicContact CZ-CG 4.32Å; E204-K242 IonicContact OE2-NZ 3.63Å; E204-K242 PolarHBondContact OE2-NZ 2.95Å
205	N	90.9	Very high	90.1	Very high	30 Å²	30	52.3 Å²	52.3	16%	0.16	31%	0.314	C	S	.	.			trans	-71.1	139.8	173	-165.5	-47.4	0	0	0	110.2	L64 I65 E207 W208 K242	L64-N205 HydrophobicContact CD2-CB 4.33Å; L64-N205 WeakPolarHBondContact CD2-ND2 3.45Å; L64-N205 PolarHBondContact O-ND2 2.88Å; I65-N205 PolarHBondContact O-ND2 3.25Å; N205-E207 VanDerWaalsContact C-N 3.27Å; N205-E207 PolarHBondContact O-N 2.91Å; N205-E207 PolarHBondContact OD1-N 2.85Å; N205-W208 HydrophobicContact CB-CB 4.34Å; N205-K242 PolarHBondContact O-NZ 3.34Å
206	G	89.8	Confident	90.1	Very high	69 Å²	69	55.6 Å²	55.6	71%	0.711	33%	0.327	S	S	*	.	S	Bend	trans	-68.5	-24.1	177.5	0	0	0	0	0	113.8	K242	G206-K242 WeakPolarHBondContact O-CD 3.35Å
207	E	90.5	Very high	90.1	Very high	64 Å²	64	55.5 Å²	55.5	30%	0.299	33%	0.326	S	S	.	.	S	Bend	trans	-105	-29.9	-177.5	-176.6	165.3	-163.6	0	0	113.6	N205 R241 K242	N205-E207 VanDerWaalsContact C-N 3.27Å; N205-E207 PolarHBondContact O-N 2.91Å; N205-E207 PolarHBondContact OD1-N 2.85Å; E207-R241 HydrophobicContact CG-CG 4.2Å; E207-R241 CarbonylContact O-C 3.53Å; E207-R241 IonicContact OE1-CZ 3.5Å; E207-R241 IonicContact OE1-NH1 2.93Å; E207-R241 PolarHBondContact OE1-NH1 2.68Å; E207-K242 WeakPolarHBondContact O-CB 3.28Å; E207-K242 PolarHBondContact O-N 3.21Å
208	W	93.9	Very high	90.1	Very high	6 Å²	6	57.6 Å²	57.6	2%	0.023	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133	-173.3	-64.6	97.8	0	0	0	111.9	L64 L67 Q164 N205 I239 R241	L64-W208 HydrophobicContact CD2-CB 4.36Å; L67-W208 HydrophobicContact CB-CZ2 4.12Å; L67-W208 HydrophobicContact CD2-CH2 3.63Å; L67-W208 HydrophobicContact CD2-CZ2 3.37Å; L67-W208 HydrophobicContact CD2-CZ3 4.35Å; L67-W208 HydrophobicContact CG-CZ2 4.28Å; Q164-W208 HydrophobicContact CB-CZ3 4.4Å; Q164-W208 HydrophobicContact CG-CH2 3.6Å; Q164-W208 HydrophobicContact CG-CZ3 3.79Å; N205-W208 HydrophobicContact CB-CB 4.34Å; W208-I239 HydrophobicContact CD2-CD1 4Å; W208-I239 HydrophobicContact CD2-CG1 4.37Å; W208-I239 HydrophobicContact CE3-CB 4.01Å; W208-I239 HydrophobicContact CE3-CD1 3.84Å; W208-I239 HydrophobicContact CE3-CG1 3.72Å; W208-I239 HydrophobicContact CG-CD1 4.36Å; W208-I239 HydrophobicContact CZ3-CD1 4.31Å; W208-I239 HydrophobicContact CZ3-CG1 4.07Å; W208-R241 HydrophobicContact CE3-CB 4.1Å; W208-R241 HydrophobicContact CH2-CB 4.1Å; W208-R241 HydrophobicContact CH2-CG 4.42Å; W208-R241 VanDerWaalsContact CH2-CZ 3.42Å; W208-R241 HydrophobicContact CZ3-CB 3.75Å; W208-R241 HydrophobicContact CZ3-CG 4.43Å
209	A	93.5	Very high	90.5	Very high	33 Å²	33	58.4 Å²	58.4	27%	0.273	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.1	169.9	0	0	0	0	0	109.7	I239 Q240	A209-I239 CarbonylContact O-C 3.46Å; A209-I239 VanDerWaalsContact O-CA 3.25Å; A209-I239 WeakPolarHBondContact O-CA 3.16Å; A209-Q240 PolarHBondContact N-O 2.82Å; A209-Q240 PolarHBondContact O-N 3.4Å
210	I	93.4	Very high	90.8	Very high	42 Å²	42	54.5 Å²	54.5	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	118.2	176.5	-55.3	173.7	0	0	0	108.4	L61 L64 I197 F202 R213 I239	L61-I210 HydrophobicContact CD2-CD1 3.51Å; L64-I210 HydrophobicContact CD1-CG1 4.39Å; I197-I210 HydrophobicContact CD1-CD1 3.82Å; F202-I210 HydrophobicContact CE2-CD1 3.95Å; F202-I210 HydrophobicContact CZ-CD1 3.65Å; I210-R213 HydrophobicContact CG2-CB 4.32Å; I210-I239 HydrophobicContact CG1-CG2 4.05Å
211	V	92.4	Very high	91.2	Very high	67 Å²	67	55.4 Å²	55.4	41%	0.406	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-56.1	179.9	-174.5	0	0	0	0	110.2	V238 Q240 A501	V211-V238 PolarHBondContact N-O 2.67Å; V211-Q240 HydrophobicContact CG2-CB 3.7Å; V211-A501 HydrophobicContact CB-CB 4.27Å; V211-A501 HydrophobicContact CG1-CB 4.07Å; V211-A501 HydrophobicContact CG2-CB 4.07Å
212	H	93.6	Very high	91.7	Very high	26 Å²	26	63 Å²	63	12%	0.12	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.9	178.6	-55.9	-69.1	0	0	0	111	V238 P502 E503 P505	H212-V238 HydrophobicContact CB-CB 3.9Å; H212-V238 HydrophobicContact CB-CG2 3.97Å; H212-V238 PolarHBondContact N-O 2.7Å; H212-V238 PolarHBondContact O-N 3.02Å; H212-P502 PolarHBondContact NE2-O 2.92Å; H212-E503 PolarHBondContact CE1-O 2.88Å; H212-P505 HydrophobicContact CB-CB 3.95Å
213	R	94.3	Very high	91.8	Very high	72 Å²	72	65.6 Å²	65.6	27%	0.272	34%	0.339	S	S	.	.			trans	-143.2	51.4	-177.5	62.5	-172.6	-173.2	-131.5	0.3	113.9	W194 V195 I210 N236 L237	W194-R213 CarbonylContact C-O 3.48Å; W194-R213 VanDerWaalsContact CA-O 3.23Å; W194-R213 WeakPolarHBondContact CA-O 3.35Å; W194-R213 WeakPolarHBondContact CB-O 3.08Å; V195-R213 HydrophobicContact CB-CB 4.07Å; V195-R213 HydrophobicContact CB-CG 4.42Å; V195-R213 HydrophobicContact CG2-CB 4.33Å; V195-R213 PolarHBondContact N-O 2.93Å; V195-R213 WeakPolarHBondContact O-CD 3.36Å; V195-R213 PolarHBondContact O-NE 3.04Å; I210-R213 HydrophobicContact CG2-CB 4.32Å; R213-N236 CarbonylContact C-O 3.51Å; R213-N236 VanDerWaalsContact CA-O 3.28Å; R213-N236 WeakPolarHBondContact CA-O 3.42Å; R213-L237 HydrophobicContact CB-CD2 3.98Å
214	P	95.1	Very high	92.1	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.006	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-70.8	151.8	-175.9	33.2	-39.1	0	0	0	112.3	N236 P505 F506 Y513	P214-N236 VanDerWaalsContact CD-O 3.31Å; P214-N236 WeakPolarHBondContact CD-O 3.29Å; P214-N236 HydrophobicContact CG-CB 3.89Å; P214-N236 PolarHBondContact O-N 2.92Å; P214-P505 HydrophobicContact CG-CB 3.92Å; P214-P505 HydrophobicContact CG-CG 4.37Å; P214-F506 HydrophobicContact CB-CE2 3.74Å; P214-F506 HydrophobicContact CB-CZ 4.03Å; P214-F506 HydrophobicContact CG-CE2 3.8Å; P214-F506 HydrophobicContact CG-CZ 3.67Å; P214-Y513 VanDerWaalsContact CB-CB 3.5Å; P214-Y513 HydrophobicContact CB-CD1 4Å; P214-Y513 HydrophobicContact CB-CD2 4.17Å; P214-Y513 HydrophobicContact CB-CG 3.63Å
215	A	94.7	Very high	92.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.4	169.5	0	0	0	0	0	109.2	L184 E193 V234 F235	L184-A215 HydrophobicContact CD1-CB 4.36Å; L184-A215 HydrophobicContact CD2-CB 3.83Å; E193-A215 WeakPolarHBondContact CA-O 3.23Å; E193-A215 WeakPolarHBondContact CB-O 3.35Å; E193-A215 PolarHBondContact O-N 2.94Å; A215-V234 WeakPolarHBondContact CA-O 3.39Å; A215-F235 HydrophobicContact CB-CD1 3.33Å; A215-F235 HydrophobicContact CB-CE1 3.44Å; A215-F235 VanDerWaalsContact CB-CE1 3.44Å; A215-F235 HydrophobicContact CB-CG 4.32Å; A215-F235 HydrophobicContact CB-CZ 4.49Å
216	R	92.6	Very high	92.1	Very high	71 Å²	71	62.7 Å²	62.7	27%	0.268	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.1	178.8	61.1	-177.9	-177.3	178.9	4.3	112	M218 V234 F506	R216-M218 HydrophobicContact CG-CG 4.16Å; R216-M218 HydrophobicContact CG-SD 4.15Å; R216-M218 PolarHBondContact NE-SD 3.17Å; R216-V234 HydrophobicContact CG-CB 4.44Å; R216-V234 PolarHBondContact N-O 3.47Å; R216-V234 PolarHBondContact O-N 2.73Å; R216-F506 VanDerWaalsContact CZ-CE1 3.46Å
217	K	93.7	Very high	92.2	Very high	64 Å²	64	62.6 Å²	62.6	28%	0.278	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.5	164	-179.1	177.2	-174.7	162.6	0	108.9	D181 L182 I233	D181-K217 IonicContact OD1-NZ 2.92Å; D181-K217 PolarHBondContact OD1-NZ 2.83Å; L182-K217 VanDerWaalsContact O-CD 3.29Å; L182-K217 WeakPolarHBondContact O-CD 3.18Å; L182-K217 WeakPolarHBondContact O-CE 3.27Å; L182-K217 PolarHBondContact O-NZ 3.19Å; K217-I233 HydrophobicContact CB-CD1 3.69Å; K217-I233 HydrophobicContact CD-CD1 4.48Å; K217-I233 HydrophobicContact CG-CD1 3.87Å
218	M	92.7	Very high	92.1	Very high	63 Å²	63	61.9 Å²	61.9	31%	0.31	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133	174.9	-66.7	-71.1	-66.7	0	0	108.9	R216 E232 V234	R216-M218 HydrophobicContact CG-CG 4.16Å; R216-M218 HydrophobicContact CG-SD 4.15Å; R216-M218 PolarHBondContact NE-SD 3.17Å; M218-E232 HydrophobicContact CB-CG 3.68Å; M218-E232 PolarHBondContact N-O 3.16Å; M218-E232 PolarHBondContact O-N 3.37Å; M218-E232 VanDerWaalsContact O-N 3.07Å; M218-V234 HydrophobicContact CB-CG2 4.25Å; M218-V234 HydrophobicContact CG-CB 4.29Å; M218-V234 HydrophobicContact CG-CG2 3.64Å
219	I	92.9	Very high	91.9	Very high	79 Å²	79	65.1 Å²	65.1	41%	0.405	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.8	172.6	-60.3	174.5	0	0	0	107.3	S221 Y230	I219-S221 PolarHBondContact O-N 3.02Å; I219-Y230 CarbonylContact C-O 3.58Å; I219-Y230 WeakPolarHBondContact CA-O 3.35Å; I219-Y230 HydrophobicContact CG2-CD1 4.35Å; I219-Y230 HydrophobicContact CG2-CD2 4.47Å; I219-Y230 HydrophobicContact CG2-CE1 3.76Å; I219-Y230 HydrophobicContact CG2-CE2 3.89Å
220	N	90.4	Very high	91.8	Very high	38 Å²	38	65.6 Å²	65.6	20%	0.203	32%	0.323	C	S	.	.			trans	-94.2	98.3	-177.6	-167.4	-12	0	0	0	110	R222 Y223 Y230	N220-R222 PolarHBondContact O-N 2.91Å; N220-R222 WeakPolarHBondContact OD1-CB 3.38Å; N220-R222 PolarHBondContact OD1-N 3.43Å; N220-R222 PolarHBondContact OD1-NE 3.08Å; N220-Y223 HydrophobicContact CB-CD2 3.97Å; N220-Y223 WeakPolarHBondContact ND2-CD2 3.41Å; N220-Y223 WeakPolarHBondContact ND2-CE2 3.42Å; N220-Y223 PolarHBondContact O-N 3.46Å; N220-Y223 VanDerWaalsContact O-N 3.1Å; N220-Y230 PolarHBondContact N-O 3.32Å
221	S	89.8	Confident	91.8	Very high	113 Å²	113	63.9 Å²	63.9	79%	0.79	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-5	-178.1	-47.4	0	0	0	0	114.8	I219 Y223	I219-S221 PolarHBondContact O-N 3.02Å; S221-Y223 VanDerWaalsContact C-N 3.32Å
222	R	90.6	Very high	91.9	Very high	211 Å²	211	63.3 Å²	63.3	80%	0.796	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-22.8	173.6	-68.9	-177.3	-77.2	-171.5	-3.7	112.9	N220	N220-R222 PolarHBondContact O-N 2.91Å; N220-R222 WeakPolarHBondContact OD1-CB 3.38Å; N220-R222 PolarHBondContact OD1-N 3.43Å; N220-R222 PolarHBondContact OD1-NE 3.08Å
223	Y	90.6	Very high	92	Very high	98 Å²	98	62.1 Å²	62.1	38%	0.384	30%	0.302	S	S	.	.	S	Bend	trans	-104.2	157.5	-177.7	-64.6	-70.8	0	0	0	111.1	N220 S221 D227 E229 Y230	N220-Y223 HydrophobicContact CB-CD2 3.97Å; N220-Y223 WeakPolarHBondContact ND2-CD2 3.41Å; N220-Y223 WeakPolarHBondContact ND2-CE2 3.42Å; N220-Y223 PolarHBondContact O-N 3.46Å; N220-Y223 VanDerWaalsContact O-N 3.1Å; S221-Y223 VanDerWaalsContact C-N 3.32Å; Y223-D227 HydrophobicContact CD1-CB 4.39Å; Y223-E229 HydrophobicContact CD1-CB 4.13Å; Y223-E229 HydrophobicContact CD2-CB 3.45Å; Y223-E229 VanDerWaalsContact CD2-CB 3.45Å; Y223-E229 HydrophobicContact CE1-CB 4.17Å; Y223-E229 HydrophobicContact CE1-CG 4.41Å; Y223-E229 HydrophobicContact CE2-CB 3.5Å; Y223-E229 VanDerWaalsContact CE2-CB 3.5Å; Y223-E229 HydrophobicContact CE2-CG 4.16Å; Y223-E229 HydrophobicContact CG-CB 3.8Å; Y223-Y230 VanDerWaalsContact O-CD2 3.29Å; Y223-Y230 WeakPolarHBondContact O-CD2 3.03Å
224	S	91.7	Very high	92.1	Very high	54 Å²	54	59 Å²	59	38%	0.378	29%	0.291	S	S	.	.			trans	-77.9	151.8	172.3	-171.6	0	0	0	0	110	D226 D227 Y230	S224-D226 PolarHBondContact O-N 3.07Å; S224-D227 WeakPolarHBondContact CB-OD2 3.37Å; S224-D227 PolarHBondContact N-OD2 3.25Å; S224-D227 WeakPolarHBondContact O-CB 3.42Å; S224-D227 PolarHBondContact O-N 3.49Å; S224-Y230 WeakPolarHBondContact O-CB 3.43Å
225	P	88.9	Confident	92.2	Very high	44 Å²	44	59 Å²	59	29%	0.286	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-20.7	171.7	-32.7	39.5	0	0	0	116.5	Y177 Y230	Y177-P225 WeakPolarHBondContact CB-O 3.29Å; Y177-P225 HydrophobicContact CD1-CB 4.13Å; Y177-P225 PolarHBondContact N-O 2.93Å; P225-Y230 HydrophobicContact CB-CE1 4.5Å; P225-Y230 HydrophobicContact CG-CE1 4.4Å; P225-Y230 HydrophobicContact CG-CE2 4.11Å
226	D	89.2	Confident	92.2	Very high	101 Å²	101	59.2 Å²	59.2	54%	0.54	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-19.2	176.7	-62.6	-40.6	0	0	0	112.8	S176 N178 S224	S176-D226 WeakPolarHBondContact CB-O 3.43Å; N178-D226 PolarHBondContact ND2-OD1 2.78Å; S224-D226 PolarHBondContact O-N 3.07Å
227	D	90.9	Very high	92.3	Very high	67 Å²	67	55.9 Å²	55.9	36%	0.358	28%	0.279	S	S	.	.	S	Bend	trans	-77.6	142.6	177.4	-59.4	-38	0	0	0	110.1	Y223 S224 E229 Y230	Y223-D227 HydrophobicContact CD1-CB 4.39Å; S224-D227 WeakPolarHBondContact CB-OD2 3.37Å; S224-D227 PolarHBondContact N-OD2 3.25Å; S224-D227 WeakPolarHBondContact O-CB 3.42Å; S224-D227 PolarHBondContact O-N 3.49Å; D227-E229 PolarHBondContact O-N 3.05Å; D227-Y230 VanDerWaalsContact O-CB 3.28Å; D227-Y230 WeakPolarHBondContact O-CB 3.24Å; D227-Y230 PolarHBondContact O-N 3.48Å
228	L	88.8	Confident	92.4	Very high	50 Å²	50	53.1 Å²	53.1	26%	0.262	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-68.9	-24.4	-178.1	-60.5	173.3	0	0	0	112.2	Q173 Y175 Y230	Q173-L228 VanDerWaalsContact O-CD1 3.3Å; Q173-L228 WeakPolarHBondContact O-CD1 3.29Å; Y175-L228 WeakPolarHBondContact O-CD2 3.33Å; L228-Y230 PolarHBondContact O-N 3.14Å
229	E	89.4	Confident	92.5	Very high	73 Å²	73	50.1 Å²	50.1	34%	0.341	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-78.4	-1.4	177.3	-64.4	71	-157.1	0	0	113.8	R171 Y223 D227	R171-E229 IonicContact CZ-OE1 3.71Å; R171-E229 VanDerWaalsContact NH1-CD 3.33Å; R171-E229 IonicContact NH1-OE1 3.73Å; R171-E229 PolarHBondContact NH1-OE1 2.91Å; Y223-E229 HydrophobicContact CD1-CB 4.13Å; Y223-E229 HydrophobicContact CD2-CB 3.45Å; Y223-E229 VanDerWaalsContact CD2-CB 3.45Å; Y223-E229 HydrophobicContact CE1-CB 4.17Å; Y223-E229 HydrophobicContact CE1-CG 4.41Å; Y223-E229 HydrophobicContact CE2-CB 3.5Å; Y223-E229 VanDerWaalsContact CE2-CB 3.5Å; Y223-E229 HydrophobicContact CE2-CG 4.16Å; Y223-E229 HydrophobicContact CG-CB 3.8Å; D227-E229 PolarHBondContact O-N 3.05Å
230	Y	91.9	Very high	92.6	Very high	43 Å²	43	48 Å²	48	17%	0.169	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-68.1	-39.7	-176.4	-177.4	-103.1	0	0	0	113.2	Y177 I219 N220 Y223 S224 P225 D227 L228	Y177-Y230 AromaticContact CD1-CD1 3.94Å; Y177-Y230 HydrophobicContact CD1-CD1 3.94Å; Y177-Y230 AromaticContact CD1-CE1 3.6Å; Y177-Y230 HydrophobicContact CD1-CE1 3.6Å; Y177-Y230 HydrophobicContact CD2-CD1 4.33Å; Y177-Y230 HydrophobicContact CD2-CE1 4.32Å; Y177-Y230 AromaticContact CE1-CE1 3.97Å; Y177-Y230 HydrophobicContact CE1-CE1 3.97Å; Y177-Y230 AromaticContact CG-CD1 3.7Å; Y177-Y230 HydrophobicContact CG-CD1 3.7Å; Y177-Y230 AromaticContact CG-CE1 3.77Å; Y177-Y230 HydrophobicContact CG-CE1 3.77Å; I219-Y230 CarbonylContact C-O 3.58Å; I219-Y230 WeakPolarHBondContact CA-O 3.35Å; I219-Y230 HydrophobicContact CG2-CD1 4.35Å; I219-Y230 HydrophobicContact CG2-CD2 4.47Å; I219-Y230 HydrophobicContact CG2-CE1 3.76Å; I219-Y230 HydrophobicContact CG2-CE2 3.89Å; N220-Y230 PolarHBondContact N-O 3.32Å; Y223-Y230 VanDerWaalsContact O-CD2 3.29Å; Y223-Y230 WeakPolarHBondContact O-CD2 3.03Å; S224-Y230 WeakPolarHBondContact O-CB 3.43Å; P225-Y230 HydrophobicContact CB-CE1 4.5Å; P225-Y230 HydrophobicContact CG-CE1 4.4Å; P225-Y230 HydrophobicContact CG-CE2 4.11Å; D227-Y230 VanDerWaalsContact O-CB 3.28Å; D227-Y230 WeakPolarHBondContact O-CB 3.24Å; D227-Y230 PolarHBondContact O-N 3.48Å; L228-Y230 PolarHBondContact O-N 3.14Å
231	Q	94.4	Very high	92.7	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.033	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.9	-179.2	67.5	172.7	-24	0	0	111.4	Y177 L180 L182	Y177-Q231 HydrophobicContact CD2-CB 4.47Å; Y177-Q231 HydrophobicContact CD2-CG 4.42Å; L180-Q231 PolarHBondContact O-NE2 3.26Å; L182-Q231 HydrophobicContact CD1-CG 4.39Å
232	E	94.8	Very high	92.9	Very high	55 Å²	55	44.6 Å²	44.6	26%	0.257	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	149.4	173.6	61.9	-171.8	-170.1	0	0	109.8	V169 F170 M218 V234	V169-E232 HydrophobicContact CG1-CB 4.01Å; V169-E232 HydrophobicContact CG1-CG 4.31Å; V169-E232 WeakPolarHBondContact CG1-OE2 3.47Å; F170-E232 WeakPolarHBondContact O-CA 3.5Å; M218-E232 HydrophobicContact CB-CG 3.68Å; M218-E232 PolarHBondContact N-O 3.16Å; M218-E232 PolarHBondContact O-N 3.37Å; M218-E232 VanDerWaalsContact O-N 3.07Å; E232-V234 HydrophobicContact CG-CG2 3.87Å
233	I	95.8	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.5	169.8	-58.6	-58.6	0	0	0	107.7	I57 F170 L182 L184 K217 F235	I57-I233 HydrophobicContact CD1-CG1 4.16Å; F170-I233 PolarHBondContact N-O 2.86Å; F170-I233 PolarHBondContact O-N 3.31Å; L182-I233 HydrophobicContact CB-CD1 4.16Å; L182-I233 HydrophobicContact CB-CG1 3.96Å; L184-I233 HydrophobicContact CD2-CG2 3.66Å; K217-I233 HydrophobicContact CB-CD1 3.69Å; K217-I233 HydrophobicContact CD-CD1 4.48Å; K217-I233 HydrophobicContact CG-CD1 3.87Å; I233-F235 HydrophobicContact CG2-CD2 4.24Å; I233-F235 HydrophobicContact CG2-CE2 3.56Å; I233-F235 HydrophobicContact CG2-CZ 3.76Å
234	V	95.8	Very high	93	Very high	7 Å²	7	37 Å²	37	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.8	-177.4	-171	0	0	0	0	109.7	T167 V169 A215 R216 M218 E232 N236	T167-V234 HydrophobicContact CG2-CG1 4.36Å; V169-V234 HydrophobicContact CG1-CG2 4.43Å; V169-V234 HydrophobicContact CG2-CG1 4.27Å; V169-V234 HydrophobicContact CG2-CG2 4.35Å; A215-V234 WeakPolarHBondContact CA-O 3.39Å; R216-V234 HydrophobicContact CG-CB 4.44Å; R216-V234 PolarHBondContact N-O 3.47Å; R216-V234 PolarHBondContact O-N 2.73Å; M218-V234 HydrophobicContact CB-CG2 4.25Å; M218-V234 HydrophobicContact CG-CB 4.29Å; M218-V234 HydrophobicContact CG-CG2 3.64Å; E232-V234 HydrophobicContact CG-CG2 3.87Å; V234-N236 WeakPolarHBondContact CG1-OD1 3.46Å
235	F	95.9	Very high	92.9	Very high	2 Å²	2	40 Å²	40	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.9	167.8	-58.8	-89.3	0	0	0	108.6	I57 L59 T167 L168 F170 L184 V195 A215 I233	I57-F235 HydrophobicContact CG2-CE2 4.24Å; I57-F235 HydrophobicContact CG2-CZ 4.11Å; L59-F235 HydrophobicContact CB-CD1 3.81Å; L59-F235 HydrophobicContact CB-CD2 4.28Å; L59-F235 HydrophobicContact CB-CE1 3.51Å; L59-F235 HydrophobicContact CB-CE2 4.01Å; L59-F235 HydrophobicContact CB-CG 4.19Å; L59-F235 HydrophobicContact CB-CZ 3.63Å; L59-F235 HydrophobicContact CD2-CB 4.05Å; L59-F235 HydrophobicContact CD2-CD1 4.11Å; L59-F235 HydrophobicContact CD2-CD2 3.95Å; L59-F235 HydrophobicContact CD2-CE2 4.44Å; L59-F235 HydrophobicContact CD2-CG 3.77Å; T167-F235 CarbonylContact C-O 3.48Å; T167-F235 WeakPolarHBondContact CA-O 3.38Å; L168-F235 HydrophobicContact CB-CB 4.27Å; L168-F235 PolarHBondContact N-O 3.41Å; L168-F235 PolarHBondContact O-N 3.39Å; F170-F235 AromaticContact CD2-CD2 3.53Å; F170-F235 HydrophobicContact CD2-CD2 3.53Å; F170-F235 AromaticContact CD2-CE2 3.56Å; F170-F235 HydrophobicContact CD2-CE2 3.56Å; F170-F235 AromaticContact CE2-CD2 3.61Å; F170-F235 HydrophobicContact CE2-CD2 3.61Å; F170-F235 AromaticContact CE2-CE2 3.83Å; F170-F235 HydrophobicContact CE2-CE2 3.83Å; L184-F235 HydrophobicContact CD2-CE1 4.26Å; L184-F235 HydrophobicContact CD2-CZ 4.24Å; V195-F235 HydrophobicContact CG2-CB 3.86Å; V195-F235 HydrophobicContact CG2-CD1 3.68Å; V195-F235 HydrophobicContact CG2-CG 4.17Å; A215-F235 HydrophobicContact CB-CD1 3.33Å; A215-F235 HydrophobicContact CB-CE1 3.44Å; A215-F235 VanDerWaalsContact CB-CE1 3.44Å; A215-F235 HydrophobicContact CB-CG 4.32Å; A215-F235 HydrophobicContact CB-CZ 4.49Å; I233-F235 HydrophobicContact CG2-CD2 4.24Å; I233-F235 HydrophobicContact CG2-CE2 3.56Å; I233-F235 HydrophobicContact CG2-CZ 3.76Å
236	N	95.1	Very high	92.8	Very high	4 Å²	4	39 Å²	39	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141	174.3	-52.1	-35.8	0	0	0	109.9	C166 T167 R213 P214 V234 F506	C166-N236 CarbonylContact O-C 3.56Å; C166-N236 WeakPolarHBondContact O-CA 3.31Å; T167-N236 WeakPolarHBondContact CG2-OD1 3.25Å; R213-N236 CarbonylContact C-O 3.51Å; R213-N236 VanDerWaalsContact CA-O 3.28Å; R213-N236 WeakPolarHBondContact CA-O 3.42Å; P214-N236 VanDerWaalsContact CD-O 3.31Å; P214-N236 WeakPolarHBondContact CD-O 3.29Å; P214-N236 HydrophobicContact CG-CB 3.89Å; P214-N236 PolarHBondContact O-N 2.92Å; V234-N236 WeakPolarHBondContact CG1-OD1 3.46Å; N236-F506 WeakPolarHBondContact ND2-CE1 3.33Å; N236-F506 WeakPolarHBondContact ND2-CZ 3.4Å
237	L	95.1	Very high	92.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	104.9	173.3	-69.1	174.7	0	0	0	107.6	L61 L74 T76 C166 L168 V195 R213 I239	L61-L237 HydrophobicContact CD2-CD2 4.41Å; L74-L237 HydrophobicContact CD2-CD1 4.19Å; T76-L237 HydrophobicContact CG2-CD1 4.26Å; C166-L237 PolarHBondContact N-O 3.35Å; C166-L237 PolarHBondContact O-N 3.48Å; L168-L237 HydrophobicContact CD1-CD1 4.1Å; V195-L237 HydrophobicContact CG2-CD2 4.2Å; R213-L237 HydrophobicContact CB-CD2 3.98Å; L237-I239 HydrophobicContact CB-CG2 4.42Å
238	V	95	Very high	92.8	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.1	172.2	-174.3	0	0	0	0	107.6	Y163 Q164 V211 H212 A501	Y163-V238 HydrophobicContact CD2-CG1 4.4Å; Q164-V238 WeakPolarHBondContact O-CA 3.3Å; V211-V238 PolarHBondContact N-O 2.67Å; H212-V238 HydrophobicContact CB-CB 3.9Å; H212-V238 HydrophobicContact CB-CG2 3.97Å; H212-V238 PolarHBondContact N-O 2.7Å; H212-V238 PolarHBondContact O-N 3.02Å; V238-A501 HydrophobicContact CG1-CB 4.11Å
239	I	95.1	Very high	92.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.6	-173.5	57.7	-179.2	0	0	0	110.5	L64 L67 Y163 Q164 W208 A209 I210 L237	L64-I239 HydrophobicContact CD1-CD1 4.22Å; L64-I239 HydrophobicContact CD1-CG2 3.85Å; L67-I239 HydrophobicContact CD2-CD1 4.02Å; Y163-I239 CarbonylContact C-O 3.6Å; Y163-I239 WeakPolarHBondContact CA-O 3.38Å; Q164-I239 HydrophobicContact CB-CD1 4.42Å; Q164-I239 HydrophobicContact CB-CG1 3.95Å; Q164-I239 PolarHBondContact N-O 3.46Å; Q164-I239 PolarHBondContact O-N 3.12Å; W208-I239 HydrophobicContact CD2-CD1 4Å; W208-I239 HydrophobicContact CD2-CG1 4.37Å; W208-I239 HydrophobicContact CE3-CB 4.01Å; W208-I239 HydrophobicContact CE3-CD1 3.84Å; W208-I239 HydrophobicContact CE3-CG1 3.72Å; W208-I239 HydrophobicContact CG-CD1 4.36Å; W208-I239 HydrophobicContact CZ3-CD1 4.31Å; W208-I239 HydrophobicContact CZ3-CG1 4.07Å; A209-I239 CarbonylContact O-C 3.46Å; A209-I239 VanDerWaalsContact O-CA 3.25Å; A209-I239 WeakPolarHBondContact O-CA 3.16Å; I210-I239 HydrophobicContact CG1-CG2 4.05Å; L237-I239 HydrophobicContact CB-CG2 4.42Å
240	Q	94.6	Very high	92.4	Very high	35 Å²	35	37.4 Å²	37.4	16%	0.164	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.5	177.3	-178.3	76.9	59.1	0	0	109.4	D162 A209 V211	D162-Q240 PolarHBondContact O-NE2 2.92Å; A209-Q240 PolarHBondContact N-O 2.82Å; A209-Q240 PolarHBondContact O-N 3.4Å; V211-Q240 HydrophobicContact CG2-CB 3.7Å
241	R	94.1	Very high	92.1	Very high	6 Å²	6	36.1 Å²	36.1	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	142.7	176	-165.5	-176.9	-58.1	-91.4	-1.2	111.4	E69 P160 D162 E207 W208 P243	E69-R241 IonicContact OE1-CZ 3.11Å; E69-R241 IonicContact OE1-NH1 2.59Å; E69-R241 PolarHBondContact OE1-NH1 3.07Å; E69-R241 IonicContact OE1-NH2 2.87Å; E69-R241 PolarHBondContact OE1-NH2 3.34Å; P160-R241 WeakPolarHBondContact O-CD 3.39Å; D162-R241 WeakPolarHBondContact O-CB 3.42Å; D162-R241 PolarHBondContact O-N 2.66Å; D162-R241 IonicContact OD1-CZ 2.83Å; D162-R241 IonicContact OD1-NE 2.67Å; D162-R241 PolarHBondContact OD1-NE 3.49Å; D162-R241 IonicContact OD1-NH2 2.99Å; D162-R241 IonicContact OD2-CZ 3.47Å; D162-R241 IonicContact OD2-NE 2.68Å; D162-R241 PolarHBondContact OD2-NE 3.23Å; D162-R241 IonicContact OD2-NH2 3.78Å; D162-R241 PolarHBondContact OD2-NH2 3.31Å; E207-R241 HydrophobicContact CG-CG 4.2Å; E207-R241 CarbonylContact O-C 3.53Å; E207-R241 IonicContact OE1-CZ 3.5Å; E207-R241 IonicContact OE1-NH1 2.93Å; E207-R241 PolarHBondContact OE1-NH1 2.68Å; W208-R241 HydrophobicContact CE3-CB 4.1Å; W208-R241 HydrophobicContact CH2-CB 4.1Å; W208-R241 HydrophobicContact CH2-CG 4.42Å; W208-R241 VanDerWaalsContact CH2-CZ 3.42Å; W208-R241 HydrophobicContact CZ3-CB 3.75Å; W208-R241 HydrophobicContact CZ3-CG 4.43Å; R241-P243 VanDerWaalsContact O-CD 3.24Å; R241-P243 WeakPolarHBondContact O-CD 3.5Å
242	K	93.9	Very high	91.7	Very high	73 Å²	73	40.4 Å²	40.4	32%	0.317	20%	0.201	S	C	.	.			trans	-90.4	97.5	167.3	-64.2	173.4	179.8	171.8	0	108.5	E204 N205 G206 E207 L244	E204-K242 IonicContact OE2-NZ 3.63Å; E204-K242 PolarHBondContact OE2-NZ 2.95Å; N205-K242 PolarHBondContact O-NZ 3.34Å; G206-K242 WeakPolarHBondContact O-CD 3.35Å; E207-K242 WeakPolarHBondContact O-CB 3.28Å; E207-K242 PolarHBondContact O-N 3.21Å; K242-L244 PolarHBondContact O-N 3.17Å
243	P	92.1	Very high	91.4	Very high	30 Å²	30	39.4 Å²	39.4	20%	0.195	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	3.5	-166	31.5	-38.5	0	0	0	115.2	P160 F161 R241 F245 Y246 I247	P160-P243 HydrophobicContact CB-CB 4.45Å; P160-P243 HydrophobicContact CG-CB 4.39Å; F161-P243 HydrophobicContact CD1-CB 4.05Å; F161-P243 HydrophobicContact CD1-CG 3.82Å; F161-P243 HydrophobicContact CE1-CB 3.93Å; F161-P243 HydrophobicContact CE1-CG 3.7Å; F161-P243 HydrophobicContact CZ-CB 4.45Å; R241-P243 VanDerWaalsContact O-CD 3.24Å; R241-P243 WeakPolarHBondContact O-CD 3.5Å; P243-F245 VanDerWaalsContact C-N 3.32Å; P243-F245 PolarHBondContact O-N 3.47Å; P243-Y246 PolarHBondContact O-N 3Å; P243-I247 HydrophobicContact CB-CD1 4.09Å; P243-I247 HydrophobicContact CB-CG1 4.37Å; P243-I247 HydrophobicContact CG-CD1 3.92Å; P243-I247 WeakPolarHBondContact O-CG1 3.39Å; P243-I247 PolarHBondContact O-N 3.19Å
244	L	90.4	Very high	90.8	Very high	119 Å²	119	39.6 Å²	39.6	62%	0.623	20%	0.201	S	C	*	.	H	α-helix	trans	-59.4	-39.2	-166.1	-171.4	146.6	0	0	0	113.2	K242 Y246 I247 I248	K242-L244 PolarHBondContact O-N 3.17Å; L244-Y246 VanDerWaalsContact C-N 3.35Å; L244-Y246 PolarHBondContact O-N 3.24Å; L244-I247 PolarHBondContact O-N 3.12Å; L244-I248 HydrophobicContact CD2-CD1 3.5Å; L244-I248 HydrophobicContact CD2-CG1 4.38Å; L244-I248 HydrophobicContact CG-CD1 4.14Å; L244-I248 WeakPolarHBondContact O-CG1 3.25Å; L244-I248 PolarHBondContact O-N 2.67Å
245	F	89.3	Confident	90.3	Very high	118 Å²	118	40.8 Å²	40.8	52%	0.518	21%	0.21	S	C	.	.	H	α-helix	trans	-58.8	-45.7	175.6	176.8	-93.8	0	0	0	111.9	P243 N249	P243-F245 VanDerWaalsContact C-N 3.32Å; P243-F245 PolarHBondContact O-N 3.47Å; F245-N249 WeakPolarHBondContact CD2-ND2 3.37Å; F245-N249 WeakPolarHBondContact CE2-ND2 3.24Å; F245-N249 WeakPolarHBondContact O-CB 3.3Å; F245-N249 PolarHBondContact O-N 3.43Å; F245-N249 PolarHBondContact O-ND2 3.15Å
246	Y	87.8	Confident	89.9	Confident	22 Å²	22	45.6 Å²	45.6	9%	0.086	24%	0.235	C	C	.	.	H	α-helix	trans	-70.5	-35.2	179.2	-62.4	-86.9	0	0	0	111.9	F159 P160 P243 L244 I250 I251	F159-Y246 HydrophobicContact CE1-CD1 4.17Å; F159-Y246 AromaticContact CE1-CE1 3.86Å; F159-Y246 HydrophobicContact CE1-CE1 3.86Å; F159-Y246 HydrophobicContact CE2-CE1 4.39Å; F159-Y246 HydrophobicContact CZ-CD1 4.11Å; F159-Y246 AromaticContact CZ-CE1 3.39Å; F159-Y246 HydrophobicContact CZ-CE1 3.39Å; F159-Y246 HydrophobicContact CZ-CE2 4.43Å; F159-Y246 AromaticContact CZ-CZ 3.58Å; P160-Y246 HydrophobicContact CB-CD1 4.2Å; P160-Y246 HydrophobicContact CB-CD2 3.68Å; P160-Y246 HydrophobicContact CB-CE2 4.31Å; P160-Y246 HydrophobicContact CB-CG 3.62Å; P160-Y246 HydrophobicContact CG-CD2 4.49Å; P160-Y246 HydrophobicContact CG-CG 4.06Å; P243-Y246 PolarHBondContact O-N 3Å; L244-Y246 VanDerWaalsContact C-N 3.35Å; L244-Y246 PolarHBondContact O-N 3.24Å; Y246-I250 HydrophobicContact CD1-CD1 3.74Å; Y246-I250 HydrophobicContact CE1-CD1 4.4Å; Y246-I250 WeakPolarHBondContact O-CA 3.32Å; Y246-I250 VanDerWaalsContact O-CB 3.27Å; Y246-I250 WeakPolarHBondContact O-CB 3.49Å; Y246-I250 PolarHBondContact O-N 2.88Å; Y246-I251 PolarHBondContact O-N 3.34Å
247	I	89	Confident	89.4	Confident	66 Å²	66	46.6 Å²	46.6	34%	0.338	24%	0.24	S	C	.	.	I	π-helix	trans	-61.4	-50.7	176.5	-68.2	169.2	0	0	0	110.7	F161 P243 L244 I251 L252	F161-I247 HydrophobicContact CE1-CD1 4.13Å; F161-I247 HydrophobicContact CZ-CD1 4.15Å; F161-I247 HydrophobicContact CZ-CG1 4.22Å; P243-I247 HydrophobicContact CB-CD1 4.09Å; P243-I247 HydrophobicContact CB-CG1 4.37Å; P243-I247 HydrophobicContact CG-CD1 3.92Å; P243-I247 WeakPolarHBondContact O-CG1 3.39Å; P243-I247 PolarHBondContact O-N 3.19Å; L244-I247 PolarHBondContact O-N 3.12Å; I247-I251 HydrophobicContact CG1-CD1 3.93Å; I247-I251 PolarHBondContact O-N 3.04Å; I247-L252 WeakPolarHBondContact O-CB 3.22Å; I247-L252 PolarHBondContact O-N 2.72Å
248	I	90.6	Very high	88.9	Confident	91 Å²	91	46.7 Å²	46.7	47%	0.467	24%	0.241	S	C	.	.	I	π-helix	trans	-73.9	-43.1	-175.1	-64.2	177.1	0	0	0	111.8	L244 P253	L244-I248 HydrophobicContact CD2-CD1 3.5Å; L244-I248 HydrophobicContact CD2-CG1 4.38Å; L244-I248 HydrophobicContact CG-CD1 4.14Å; L244-I248 WeakPolarHBondContact O-CG1 3.25Å; L244-I248 PolarHBondContact O-N 2.67Å; I248-P253 VanDerWaalsContact O-CD 3.23Å; I248-P253 WeakPolarHBondContact O-CD 3.31Å
249	N	85.4	Confident	88.4	Confident	80 Å²	80	48.5 Å²	48.5	43%	0.428	25%	0.253	S	S	.	.	I	π-helix	trans	-91.6	-19.6	-170.8	-65.6	-41.1	0	0	0	114.1	F245	F245-N249 WeakPolarHBondContact CD2-ND2 3.37Å; F245-N249 WeakPolarHBondContact CE2-ND2 3.24Å; F245-N249 WeakPolarHBondContact O-CB 3.3Å; F245-N249 PolarHBondContact O-N 3.43Å; F245-N249 PolarHBondContact O-ND2 3.15Å
250	I	84.4	Confident	87.9	Confident	22 Å²	22	52.7 Å²	52.7	11%	0.113	28%	0.275	C	S	.	.	I	π-helix	trans	-121	-59.8	-174.6	-51.3	-169.4	0	0	0	111.2	Y246 C254 I293 I307	Y246-I250 HydrophobicContact CD1-CD1 3.74Å; Y246-I250 HydrophobicContact CE1-CD1 4.4Å; Y246-I250 WeakPolarHBondContact O-CA 3.32Å; Y246-I250 VanDerWaalsContact O-CB 3.27Å; Y246-I250 WeakPolarHBondContact O-CB 3.49Å; Y246-I250 PolarHBondContact O-N 2.88Å; I250-C254 WeakPolarHBondContact O-CB 3.36Å; I250-C254 PolarHBondContact O-N 2.84Å; I250-C254 VanDerWaalsContact O-N 3.1Å; I250-I293 HydrophobicContact CD1-CG1 4.17Å; I250-I293 HydrophobicContact CG2-CD1 3.33Å; I250-I293 HydrophobicContact CG2-CG1 3.71Å; I250-I307 HydrophobicContact CG2-CD1 4.08Å; I250-I307 HydrophobicContact CG2-CG1 4.4Å
251	I	85.3	Confident	87.4	Confident	15 Å²	15	51.1 Å²	51.1	8%	0.077	27%	0.268	C	S	.	.	I	π-helix	trans	-66.2	-45.5	-172.5	-66.3	165.4	0	0	0	111.1	P160 F161 Y246 I247 C254 S255 I307 F493	P160-I251 HydrophobicContact CG-CD1 4.47Å; F161-I251 HydrophobicContact CE2-CD1 4.14Å; F161-I251 HydrophobicContact CZ-CD1 4.28Å; Y246-I251 PolarHBondContact O-N 3.34Å; I247-I251 HydrophobicContact CG1-CD1 3.93Å; I247-I251 PolarHBondContact O-N 3.04Å; I251-C254 PolarHBondContact O-N 3.25Å; I251-S255 VanDerWaalsContact O-CB 3.31Å; I251-S255 WeakPolarHBondContact O-CB 3.04Å; I251-S255 PolarHBondContact O-N 3.38Å; I251-S255 PolarHBondContact O-OG 3.31Å; I251-I307 HydrophobicContact CG1-CD1 3.87Å; I251-F493 HydrophobicContact CB-CE1 4.43Å; I251-F493 HydrophobicContact CB-CZ 4.17Å; I251-F493 HydrophobicContact CD1-CD1 4.32Å; I251-F493 HydrophobicContact CD1-CE1 3.47Å; I251-F493 VanDerWaalsContact CD1-CE1 3.47Å; I251-F493 HydrophobicContact CD1-CZ 4.08Å; I251-F493 HydrophobicContact CG1-CE1 3.77Å; I251-F493 HydrophobicContact CG1-CZ 3.86Å; I251-F493 HydrophobicContact CG2-CE1 3.79Å; I251-F493 HydrophobicContact CG2-CE2 3.82Å; I251-F493 HydrophobicContact CG2-CZ 3.3Å
252	L	86.8	Confident	86.9	Confident	97 Å²	97	51.2 Å²	51.2	51%	0.508	27%	0.269	S	S	.	.	H	α-helix	trans	-65.1	-51.9	-177.7	179.7	123	0	0	0	112.4	I247 C254 S255 L256	I247-L252 WeakPolarHBondContact O-CB 3.22Å; I247-L252 PolarHBondContact O-N 2.72Å; L252-C254 VanDerWaalsContact C-N 3.34Å; L252-C254 PolarHBondContact O-N 2.95Å; L252-S255 PolarHBondContact O-N 2.83Å; L252-L256 HydrophobicContact CD2-CD1 4.08Å; L252-L256 HydrophobicContact CG-CD1 4.26Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 3.48Å
253	P	87.1	Confident	86.5	Confident	34 Å²	34	52.1 Å²	52.1	22%	0.221	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-42.3	174.6	-27	35.9	0	0	0	113.1	I248 S255 L256 I257 F289	I248-P253 VanDerWaalsContact O-CD 3.23Å; I248-P253 WeakPolarHBondContact O-CD 3.31Å; P253-S255 PolarHBondContact O-N 2.97Å; P253-L256 PolarHBondContact O-N 2.84Å; P253-I257 WeakPolarHBondContact O-CB 3.37Å; P253-I257 VanDerWaalsContact O-CG1 3.25Å; P253-I257 WeakPolarHBondContact O-CG1 3.49Å; P253-I257 PolarHBondContact O-N 3.5Å; P253-F289 HydrophobicContact CB-CE1 4.02Å; P253-F289 HydrophobicContact CB-CZ 4.1Å
254	C	84.2	Confident	86.1	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-42.1	179	-174.1	0	0	0	0	112	I250 I251 L252 I257 S258 Y310	I250-C254 WeakPolarHBondContact O-CB 3.36Å; I250-C254 PolarHBondContact O-N 2.84Å; I250-C254 VanDerWaalsContact O-N 3.1Å; I251-C254 PolarHBondContact O-N 3.25Å; L252-C254 VanDerWaalsContact C-N 3.34Å; L252-C254 PolarHBondContact O-N 2.95Å; C254-I257 PolarHBondContact O-N 3.38Å; C254-S258 WeakPolarHBondContact O-CB 3.44Å; C254-S258 PolarHBondContact O-N 3.27Å; C254-S258 PolarHBondContact O-OG 3.2Å; C254-Y310 HydrophobicContact CB-CE1 4.29Å
255	S	85	Confident	85.8	Confident	32 Å²	32	45.4 Å²	45.4	22%	0.224	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-41.4	177.3	-56.6	0	0	0	0	111.8	I251 L252 P253 S258 S259 Y310	I251-S255 VanDerWaalsContact O-CB 3.31Å; I251-S255 WeakPolarHBondContact O-CB 3.04Å; I251-S255 PolarHBondContact O-N 3.38Å; I251-S255 PolarHBondContact O-OG 3.31Å; L252-S255 PolarHBondContact O-N 2.83Å; P253-S255 PolarHBondContact O-N 2.97Å; S255-S258 PolarHBondContact O-N 2.96Å; S255-S259 PolarHBondContact O-N 3.1Å; S255-Y310 PolarHBondContact OG-OH 3.01Å
256	L	87.3	Confident	85.5	Confident	102 Å²	102	45 Å²	45	53%	0.534	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-47.4	175.3	-70.8	172.7	0	0	0	111.6	L252 P253 S258 S259 L260	L252-L256 HydrophobicContact CD2-CD1 4.08Å; L252-L256 HydrophobicContact CG-CD1 4.26Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 3.48Å; P253-L256 PolarHBondContact O-N 2.84Å; L256-S258 VanDerWaalsContact C-N 3.31Å; L256-S258 PolarHBondContact O-N 3.24Å; L256-S259 WeakPolarHBondContact O-CB 3.31Å; L256-S259 PolarHBondContact O-N 2.63Å; L256-S259 PolarHBondContact O-OG 3.25Å; L256-L260 PolarHBondContact O-N 2.95Å; L256-L260 VanDerWaalsContact O-N 3.16Å
257	I	85.9	Confident	85.3	Confident	26 Å²	26	46.7 Å²	46.7	13%	0.133	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-41.4	178.6	-70.5	168.6	0	0	0	111	P253 C254 S259 L260 V282 Q286 F289	P253-I257 WeakPolarHBondContact O-CB 3.37Å; P253-I257 VanDerWaalsContact O-CG1 3.25Å; P253-I257 WeakPolarHBondContact O-CG1 3.49Å; P253-I257 PolarHBondContact O-N 3.5Å; C254-I257 PolarHBondContact O-N 3.38Å; I257-S259 VanDerWaalsContact C-N 3.3Å; I257-S259 PolarHBondContact O-N 3.35Å; I257-L260 WeakPolarHBondContact O-CB 3.25Å; I257-L260 PolarHBondContact O-N 3.08Å; I257-L260 VanDerWaalsContact O-N 3.15Å; I257-V282 HydrophobicContact CG2-CG1 3.46Å; I257-V282 VanDerWaalsContact CG2-CG1 3.46Å; I257-Q286 HydrophobicContact CG2-CG 3.77Å; I257-F289 HydrophobicContact CD1-CD2 3.55Å; I257-F289 HydrophobicContact CD1-CE2 3.06Å; I257-F289 HydrophobicContact CD1-CZ 3.79Å
258	S	83.3	Confident	84.8	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-35.7	177.5	-54.4	0	0	0	0	112.1	C254 S255 L256 L260 V261 Q286 V314	C254-S258 WeakPolarHBondContact O-CB 3.44Å; C254-S258 PolarHBondContact O-N 3.27Å; C254-S258 PolarHBondContact O-OG 3.2Å; S255-S258 PolarHBondContact O-N 2.96Å; L256-S258 VanDerWaalsContact C-N 3.31Å; L256-S258 PolarHBondContact O-N 3.24Å; S258-L260 VanDerWaalsContact C-N 3.3Å; S258-L260 PolarHBondContact O-N 2.85Å; S258-V261 PolarHBondContact O-N 3.41Å; S258-Q286 PolarHBondContact OG-NE2 3Å; S258-V314 WeakPolarHBondContact OG-CG1 3.21Å
259	S	84.4	Confident	83.8	Confident	43 Å²	43	43.8 Å²	43.8	30%	0.301	24%	0.241	S	C	.	.	H	α-helix	trans	-64.5	-31.8	173.7	79.8	0	0	0	0	113.1	S255 L256 I257 V261 V262 L263	S255-S259 PolarHBondContact O-N 3.1Å; L256-S259 WeakPolarHBondContact O-CB 3.31Å; L256-S259 PolarHBondContact O-N 2.63Å; L256-S259 PolarHBondContact O-OG 3.25Å; I257-S259 VanDerWaalsContact C-N 3.3Å; I257-S259 PolarHBondContact O-N 3.35Å; S259-V261 VanDerWaalsContact C-N 3.27Å; S259-V261 PolarHBondContact O-N 3.42Å; S259-V262 PolarHBondContact O-N 2.85Å; S259-L263 PolarHBondContact O-N 3.18Å
260	L	85.8	Confident	83	Confident	88 Å²	88	46.9 Å²	46.9	46%	0.461	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-32.5	175.1	-64.5	173.8	0	0	0	112.4	L256 I257 S258 V262 L263 A264 V282	L256-L260 PolarHBondContact O-N 2.95Å; L256-L260 VanDerWaalsContact O-N 3.16Å; I257-L260 WeakPolarHBondContact O-CB 3.25Å; I257-L260 PolarHBondContact O-N 3.08Å; I257-L260 VanDerWaalsContact O-N 3.15Å; S258-L260 VanDerWaalsContact C-N 3.3Å; S258-L260 PolarHBondContact O-N 2.85Å; L260-V262 VanDerWaalsContact C-N 3.34Å; L260-L263 HydrophobicContact CD2-CD1 4.16Å; L260-L263 WeakPolarHBondContact O-CB 3.47Å; L260-L263 PolarHBondContact O-N 2.96Å; L260-A264 PolarHBondContact O-N 3.43Å; L260-A264 VanDerWaalsContact O-N 3.12Å; L260-V282 HydrophobicContact CB-CG2 4.39Å
261	V	82.5	Confident	81.6	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-66.5	-39	176.3	-175.1	0	0	0	0	111.4	S258 S259 L263 A264 V282 T318 I321	S258-V261 PolarHBondContact O-N 3.41Å; S259-V261 VanDerWaalsContact C-N 3.27Å; S259-V261 PolarHBondContact O-N 3.42Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 3.17Å; V261-A264 VanDerWaalsContact O-CB 3.24Å; V261-A264 WeakPolarHBondContact O-CB 3.36Å; V261-A264 PolarHBondContact O-N 3.37Å; V261-V282 HydrophobicContact CG2-CB 3.69Å; V261-V282 HydrophobicContact CG2-CG1 3.07Å; V261-V282 HydrophobicContact CG2-CG2 4.22Å; V261-T318 HydrophobicContact CB-CG2 4.16Å; V261-T318 HydrophobicContact CG1-CG2 4.06Å; V261-T318 HydrophobicContact CG2-CG2 3.72Å; V261-I321 HydrophobicContact CB-CD1 4.44Å; V261-I321 HydrophobicContact CG1-CB 3.8Å; V261-I321 HydrophobicContact CG1-CD1 3.66Å; V261-I321 HydrophobicContact CG1-CG1 4.33Å; V261-I321 HydrophobicContact CG1-CG2 3.49Å; V261-I321 VanDerWaalsContact CG1-CG2 3.49Å
262	V	85.3	Confident	80.5	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.055	31%	0.313	C	S	.	.	H	α-helix	trans	-66.7	-35.9	174.9	-179.8	0	0	0	0	110.4	S259 L260 A264 Y265 I321 F478 I482	S259-V262 PolarHBondContact O-N 2.85Å; L260-V262 VanDerWaalsContact C-N 3.34Å; V262-A264 PolarHBondContact O-N 3.15Å; V262-Y265 WeakPolarHBondContact O-CD2 3.21Å; V262-Y265 PolarHBondContact O-N 3.27Å; V262-I321 HydrophobicContact CG2-CD1 4.47Å; V262-F478 HydrophobicContact CG1-CD2 3.82Å; V262-F478 HydrophobicContact CG1-CE2 3.57Å; V262-I482 HydrophobicContact CG1-CB 4.05Å; V262-I482 HydrophobicContact CG1-CD1 4.3Å; V262-I482 HydrophobicContact CG1-CG1 4.23Å
263	L	84.1	Confident	79.5	Confident	92 Å²	92	49.6 Å²	49.6	48%	0.482	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-21.9	174.2	-70.3	168.8	0	0	0	113.4	S259 L260 V261 Y265 F266	S259-L263 PolarHBondContact O-N 3.18Å; L260-L263 HydrophobicContact CD2-CD1 4.16Å; L260-L263 WeakPolarHBondContact O-CB 3.47Å; L260-L263 PolarHBondContact O-N 2.96Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 3.17Å; L263-Y265 PolarHBondContact O-N 3.42Å; L263-F266 HydrophobicContact CD2-CD2 3.92Å; L263-F266 HydrophobicContact CD2-CE2 3.96Å; L263-F266 WeakPolarHBondContact O-CB 3.41Å; L263-F266 PolarHBondContact O-N 3.4Å
264	A	83.8	Confident	79	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.008	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-63.5	-20.9	177.3	0	0	0	0	0	113.4	L260 V261 V262 F266 L267 V278	L260-A264 PolarHBondContact O-N 3.43Å; L260-A264 VanDerWaalsContact O-N 3.12Å; V261-A264 VanDerWaalsContact O-CB 3.24Å; V261-A264 WeakPolarHBondContact O-CB 3.36Å; V261-A264 PolarHBondContact O-N 3.37Å; V262-A264 PolarHBondContact O-N 3.15Å; A264-F266 PolarHBondContact O-N 3.41Å; A264-L267 WeakPolarHBondContact O-CB 3.37Å; A264-L267 PolarHBondContact O-N 3.22Å; A264-V278 HydrophobicContact CB-CG1 4.27Å
265	Y	84.9	Confident	78.8	Confident	7 Å²	7	55 Å²	55	3%	0.027	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-67.8	-15.1	171.8	-75.1	-78.9	0	0	0	113.7	V262 L263 L267 I321 Q325 D474 C477 F478 A481	V262-Y265 WeakPolarHBondContact O-CD2 3.21Å; V262-Y265 PolarHBondContact O-N 3.27Å; L263-Y265 PolarHBondContact O-N 3.42Å; Y265-L267 VanDerWaalsContact C-N 3.35Å; Y265-I321 HydrophobicContact CD2-CG2 4.36Å; Y265-I321 HydrophobicContact CE2-CB 4.32Å; Y265-I321 HydrophobicContact CE2-CD1 4.32Å; Y265-I321 HydrophobicContact CE2-CG1 3.99Å; Y265-I321 HydrophobicContact CE2-CG2 3.47Å; Y265-I321 VanDerWaalsContact CE2-CG2 3.47Å; Y265-I321 WeakPolarHBondContact OH-CG2 3.27Å; Y265-Q325 VanDerWaalsContact CZ-NE2 3.34Å; Y265-D474 WeakPolarHBondContact CD1-O 3.33Å; Y265-D474 WeakPolarHBondContact CD1-OD1 3.27Å; Y265-C477 HydrophobicContact CD1-CB 4.34Å; Y265-C477 HydrophobicContact CE1-CB 3.53Å; Y265-F478 HydrophobicContact CD1-CB 4.3Å; Y265-F478 HydrophobicContact CD2-CB 4.34Å; Y265-F478 HydrophobicContact CD2-CD2 4.32Å; Y265-F478 HydrophobicContact CG-CB 3.95Å; Y265-F478 HydrophobicContact CG-CD2 4.34Å; Y265-A481 HydrophobicContact CE2-CB 3.89Å
266	F	82.9	Confident	78.6	Confident	108 Å²	108	56.2 Å²	56.2	47%	0.474	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-84.3	-12.8	174.3	-67.7	-71.4	0	0	0	113	L263 A264 F478	L263-F266 HydrophobicContact CD2-CD2 3.92Å; L263-F266 HydrophobicContact CD2-CE2 3.96Å; L263-F266 WeakPolarHBondContact O-CB 3.41Å; L263-F266 PolarHBondContact O-N 3.4Å; A264-F266 PolarHBondContact O-N 3.41Å; F266-F478 HydrophobicContact CD2-CE2 4.36Å; F266-F478 HydrophobicContact CE2-CD2 4.18Å; F266-F478 AromaticContact CE2-CE2 3.4Å; F266-F478 HydrophobicContact CE2-CE2 3.4Å; F266-F478 VanDerWaalsContact CE2-CE2 3.4Å; F266-F478 AromaticContact CE2-CZ 3.76Å; F266-F478 HydrophobicContact CE2-CZ 3.76Å; F266-F478 HydrophobicContact CZ-CD2 4.27Å; F266-F478 HydrophobicContact CZ-CE1 4.11Å; F266-F478 AromaticContact CZ-CE2 3.54Å; F266-F478 HydrophobicContact CZ-CE2 3.54Å; F266-F478 AromaticContact CZ-CZ 3.46Å; F266-F478 HydrophobicContact CZ-CZ 3.46Å; F266-F478 VanDerWaalsContact CZ-CZ 3.46Å
267	L	83	Confident	78.4	Confident	58 Å²	58	55.4 Å²	55.4	30%	0.304	33%	0.329	S	S	.	.	S	Bend	trans	-74.4	128.8	179.5	-67.1	168.7	0	0	0	110	A264 Y265 A269 K275 V278	A264-L267 WeakPolarHBondContact O-CB 3.37Å; A264-L267 PolarHBondContact O-N 3.22Å; Y265-L267 VanDerWaalsContact C-N 3.35Å; L267-A269 PolarHBondContact O-N 2.96Å; L267-K275 HydrophobicContact CB-CB 4.3Å; L267-K275 HydrophobicContact CB-CD 4.46Å; L267-K275 HydrophobicContact CB-CG 4.33Å; L267-K275 WeakPolarHBondContact O-CD 3.18Å; L267-V278 HydrophobicContact CD1-CB 4.31Å; L267-V278 HydrophobicContact CD1-CG2 3.96Å
268	P	78.7	Confident	78.4	Confident	78 Å²	78	56.8 Å²	56.8	51%	0.506	34%	0.339	S	S	.	.			trans	-65.9	135.8	178.1	27.4	-33.5	0	0	0	110.5	Q270	P268-Q270 HydrophobicContact CB-CG 4.33Å; P268-Q270 PolarHBondContact O-N 3.36Å
269	A	69.7	Low	78.3	Confident	18 Å²	18	56.7 Å²	56.7	15%	0.149	34%	0.338	C	S	.	.			trans	-77.3	55.5	175.4	0	0	0	0	0	111.9	L267 K275 V328 L329 S332	L267-A269 PolarHBondContact O-N 2.96Å; A269-K275 HydrophobicContact CB-CD 4.48Å; A269-V328 HydrophobicContact CB-CG1 4.35Å; A269-L329 HydrophobicContact CB-CD1 4.45Å; A269-S332 WeakPolarHBondContact CB-OG 3.44Å
270	Q	68.2	Low	78.3	Confident	145 Å²	145	59.2 Å²	59.2	68%	0.678	35%	0.347	S	S	*	.	S	Bend	trans	-93	164.3	172.9	-68.9	-179.5	-2.4	0	0	110.5	P268 G272	P268-Q270 HydrophobicContact CB-CG 4.33Å; P268-Q270 PolarHBondContact O-N 3.36Å; Q270-G272 PolarHBondContact O-N 3.15Å
271	A	54.4	Low	78.4	Confident	98 Å²	98	58.3 Å²	58.3	81%	0.81	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	1.4	-171	0	0	0	0	0	117	G273	A271-G273 PolarHBondContact O-N 3.16Å
272	G	62.2	Low	78.6	Confident	61 Å²	61	58.8 Å²	58.8	63%	0.629	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.9	179.7	0	0	0	0	0	116.1	Q270 Q274	Q270-G272 PolarHBondContact O-N 3.15Å; G272-Q274 PolarHBondContact O-N 3.4Å
273	G	67.2	Low	78.5	Confident	33 Å²	33	60.8 Å²	60.8	34%	0.34	36%	0.361	S	S	.	.			trans	64.2	-6.2	173.6	0	0	0	0	0	116.8	A271 K275 L276 T277	A271-G273 PolarHBondContact O-N 3.16Å; G273-K275 PolarHBondContact O-N 3.3Å; G273-K275 VanDerWaalsContact O-N 3.13Å; G273-L276 PolarHBondContact O-N 2.83Å; G273-L276 VanDerWaalsContact O-N 3.11Å; G273-T277 PolarHBondContact O-N 3.23Å; G273-T277 PolarHBondContact O-OG1 3.33Å
274	Q	75.5	Confident	78.7	Confident	141 Å²	141	62 Å²	62	66%	0.659	37%	0.367	S	S	*	.	H	α-helix	trans	-56.3	-35.5	-173.8	-70.4	177.1	-21.5	0	0	112.9	G272 L276 T277 V278	G272-Q274 PolarHBondContact O-N 3.4Å; Q274-L276 VanDerWaalsContact C-N 3.35Å; Q274-L276 PolarHBondContact O-N 3.32Å; Q274-T277 PolarHBondContact O-N 3.43Å; Q274-V278 WeakPolarHBondContact O-CG2 3.12Å; Q274-V278 PolarHBondContact O-N 2.92Å
275	K	80.3	Confident	78.9	Confident	11 Å²	11	63.6 Å²	63.6	5%	0.048	38%	0.381	C	S	.	.	H	α-helix	trans	-58.5	-42.3	178.9	-173.4	167.2	179.8	175.9	0	113.2	L267 A269 G273 S279 D474	L267-K275 HydrophobicContact CB-CB 4.3Å; L267-K275 HydrophobicContact CB-CD 4.46Å; L267-K275 HydrophobicContact CB-CG 4.33Å; L267-K275 WeakPolarHBondContact O-CD 3.18Å; A269-K275 HydrophobicContact CB-CD 4.48Å; G273-K275 PolarHBondContact O-N 3.3Å; G273-K275 VanDerWaalsContact O-N 3.13Å; K275-S279 PolarHBondContact O-N 3.11Å; K275-D474 IonicContact NZ-OD1 2.66Å; K275-D474 PolarHBondContact NZ-OD1 3.24Å; K275-D474 IonicContact NZ-OD2 3.44Å; K275-D474 PolarHBondContact NZ-OD2 2.84Å
276	L	80.3	Confident	78.8	Confident	57 Å²	57	63.6 Å²	63.6	30%	0.298	38%	0.381	S	S	.	.	H	α-helix	trans	-72.6	-41.7	177.2	-175.6	66.7	0	0	0	110.8	G273 Q274 V278 S279 I280 I326	G273-L276 PolarHBondContact O-N 2.83Å; G273-L276 VanDerWaalsContact O-N 3.11Å; Q274-L276 VanDerWaalsContact C-N 3.35Å; Q274-L276 PolarHBondContact O-N 3.32Å; L276-V278 PolarHBondContact O-N 3.24Å; L276-S279 PolarHBondContact O-N 3.13Å; L276-I280 HydrophobicContact CD1-CD1 4.06Å; L276-I280 HydrophobicContact CD1-CG1 4.31Å; L276-I280 HydrophobicContact CD2-CD1 4.27Å; L276-I280 HydrophobicContact CG-CD1 3.75Å; L276-I280 HydrophobicContact CG-CG1 4.35Å; L276-I280 WeakPolarHBondContact O-CG1 3.4Å; L276-I280 PolarHBondContact O-N 3.37Å; L276-I326 HydrophobicContact CD1-CD1 4.34Å; L276-I326 HydrophobicContact CD1-CG1 3.78Å
277	T	84.5	Confident	78.8	Confident	86 Å²	86	61.4 Å²	61.4	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-57.8	-47.3	178	-51.4	0	0	0	0	111.7	G273 Q274 S279 I280 S281	G273-T277 PolarHBondContact O-N 3.23Å; G273-T277 PolarHBondContact O-OG1 3.33Å; Q274-T277 PolarHBondContact O-N 3.43Å; T277-S279 PolarHBondContact O-N 2.96Å; T277-I280 PolarHBondContact O-N 3.2Å; T277-S281 WeakPolarHBondContact O-CB 3.43Å; T277-S281 PolarHBondContact O-N 3.37Å; T277-S281 PolarHBondContact O-OG 3.12Å; T277-S281 VanDerWaalsContact O-OG 3.04Å
278	V	84.5	Confident	79	Confident	54 Å²	54	62.5 Å²	62.5	33%	0.327	39%	0.386	S	S	.	.	H	α-helix	trans	-59.2	-46.5	176.7	175.4	0	0	0	0	111	A264 L267 Q274 L276 I280 S281 V282	A264-V278 HydrophobicContact CB-CG1 4.27Å; L267-V278 HydrophobicContact CD1-CB 4.31Å; L267-V278 HydrophobicContact CD1-CG2 3.96Å; Q274-V278 WeakPolarHBondContact O-CG2 3.12Å; Q274-V278 PolarHBondContact O-N 2.92Å; L276-V278 PolarHBondContact O-N 3.24Å; V278-I280 PolarHBondContact O-N 3.32Å; V278-S281 PolarHBondContact O-N 3.4Å; V278-V282 HydrophobicContact CG1-CG2 4.38Å; V278-V282 VanDerWaalsContact O-CG2 3.28Å; V278-V282 WeakPolarHBondContact O-CG2 3.32Å; V278-V282 PolarHBondContact O-N 3.43Å
279	S	81.6	Confident	79.1	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.014	37%	0.373	C	S	.	.	H	α-helix	trans	-62.3	-42.1	-178.7	-165.2	0	0	0	0	112.7	K275 L276 T277 L283 A322	K275-S279 PolarHBondContact O-N 3.11Å; L276-S279 PolarHBondContact O-N 3.13Å; T277-S279 PolarHBondContact O-N 2.96Å; S279-L283 PolarHBondContact O-N 2.81Å; S279-L283 VanDerWaalsContact O-N 3.14Å; S279-A322 WeakPolarHBondContact OG-CA 3.47Å; S279-A322 WeakPolarHBondContact OG-CB 3.36Å
280	I	85.3	Confident	79.4	Confident	95 Å²	95	63.3 Å²	63.3	49%	0.487	38%	0.381	S	S	.	.	H	α-helix	trans	-70.8	-44.2	179	-64.2	173.4	0	0	0	110.7	L276 T277 V278 V282 L283 L284	L276-I280 HydrophobicContact CD1-CD1 4.06Å; L276-I280 HydrophobicContact CD1-CG1 4.31Å; L276-I280 HydrophobicContact CD2-CD1 4.27Å; L276-I280 HydrophobicContact CG-CD1 3.75Å; L276-I280 HydrophobicContact CG-CG1 4.35Å; L276-I280 WeakPolarHBondContact O-CG1 3.4Å; L276-I280 PolarHBondContact O-N 3.37Å; T277-I280 PolarHBondContact O-N 3.2Å; V278-I280 PolarHBondContact O-N 3.32Å; I280-V282 VanDerWaalsContact C-N 3.27Å; I280-V282 PolarHBondContact O-N 3.42Å; I280-L283 PolarHBondContact O-N 2.89Å; I280-L284 PolarHBondContact O-N 3.3Å
281	S	88	Confident	80	Confident	69 Å²	69	62.7 Å²	62.7	48%	0.483	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-37.4	178	-66.1	0	0	0	0	112.1	T277 V278 A285	T277-S281 WeakPolarHBondContact O-CB 3.43Å; T277-S281 PolarHBondContact O-N 3.37Å; T277-S281 PolarHBondContact O-OG 3.12Å; T277-S281 VanDerWaalsContact O-OG 3.04Å; V278-S281 PolarHBondContact O-N 3.4Å; S281-A285 PolarHBondContact O-N 3.49Å
282	V	85.6	Confident	81.2	Confident	12 Å²	12	62.2 Å²	62.2	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-70.3	-41.2	175.5	177.6	0	0	0	0	111.9	I257 L260 V261 V278 I280 L284 A285 Q286	I257-V282 HydrophobicContact CG2-CG1 3.46Å; I257-V282 VanDerWaalsContact CG2-CG1 3.46Å; L260-V282 HydrophobicContact CB-CG2 4.39Å; V261-V282 HydrophobicContact CG2-CB 3.69Å; V261-V282 HydrophobicContact CG2-CG1 3.07Å; V261-V282 HydrophobicContact CG2-CG2 4.22Å; V278-V282 HydrophobicContact CG1-CG2 4.38Å; V278-V282 VanDerWaalsContact O-CG2 3.28Å; V278-V282 WeakPolarHBondContact O-CG2 3.32Å; V278-V282 PolarHBondContact O-N 3.43Å; I280-V282 VanDerWaalsContact C-N 3.27Å; I280-V282 PolarHBondContact O-N 3.42Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 PolarHBondContact O-N 3.36Å; V282-A285 PolarHBondContact O-N 2.94Å; V282-Q286 HydrophobicContact CG1-CG 4.33Å; V282-Q286 WeakPolarHBondContact O-CG 3.24Å; V282-Q286 PolarHBondContact O-N 2.96Å
283	L	84.4	Confident	81.9	Confident	50 Å²	50	59.8 Å²	59.8	26%	0.262	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-41.4	175	-173.1	70	0	0	0	111.5	S279 I280 Q286 T287 T318	S279-L283 PolarHBondContact O-N 2.81Å; S279-L283 VanDerWaalsContact O-N 3.14Å; I280-L283 PolarHBondContact O-N 2.89Å; L283-Q286 PolarHBondContact O-N 2.81Å; L283-T287 PolarHBondContact O-N 3.11Å; L283-T287 PolarHBondContact O-OG1 2.76Å; L283-T318 WeakPolarHBondContact CD1-OG1 3.01Å
284	L	88.2	Confident	82.1	Confident	117 Å²	117	61.5 Å²	61.5	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-62.5	-47.8	174.9	-174.2	71.6	0	0	0	111.3	I280 V282 Q286 T287 V288	I280-L284 PolarHBondContact O-N 3.3Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 PolarHBondContact O-N 3.36Å; L284-Q286 VanDerWaalsContact C-N 3.33Å; L284-Q286 PolarHBondContact O-N 3.27Å; L284-T287 WeakPolarHBondContact O-CB 3.49Å; L284-T287 PolarHBondContact O-N 3.19Å; L284-T287 VanDerWaalsContact O-N 3.16Å; L284-V288 PolarHBondContact O-N 3.46Å; L284-V288 VanDerWaalsContact O-N 3.08Å
285	A	86.8	Confident	82.2	Confident	35 Å²	35	60.6 Å²	60.6	29%	0.289	34%	0.338	S	S	.	.	H	α-helix	trans	-57.6	-46	177.1	0	0	0	0	0	111.3	S281 V282 T287 V288 F289	S281-A285 PolarHBondContact O-N 3.49Å; V282-A285 PolarHBondContact O-N 2.94Å; A285-T287 VanDerWaalsContact C-N 3.31Å; A285-T287 PolarHBondContact O-N 3.46Å; A285-V288 WeakPolarHBondContact O-CB 3.32Å; A285-V288 PolarHBondContact O-N 2.91Å; A285-F289 VanDerWaalsContact O-CD2 3.24Å; A285-F289 WeakPolarHBondContact O-CD2 3.13Å; A285-F289 PolarHBondContact O-N 3.45Å
286	Q	82.9	Confident	81.8	Confident	7 Å²	7	66.2 Å²	66.2	3%	0.033	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-39	176.5	-73.2	179.2	-21.7	0	0	112.9	I257 S258 V282 L283 L284 V288 F289 L290 T318	I257-Q286 HydrophobicContact CG2-CG 3.77Å; S258-Q286 PolarHBondContact OG-NE2 3Å; V282-Q286 HydrophobicContact CG1-CG 4.33Å; V282-Q286 WeakPolarHBondContact O-CG 3.24Å; V282-Q286 PolarHBondContact O-N 2.96Å; L283-Q286 PolarHBondContact O-N 2.81Å; L284-Q286 VanDerWaalsContact C-N 3.33Å; L284-Q286 PolarHBondContact O-N 3.27Å; Q286-V288 VanDerWaalsContact C-N 3.33Å; Q286-V288 PolarHBondContact O-N 2.74Å; Q286-F289 PolarHBondContact O-N 2.98Å; Q286-L290 PolarHBondContact O-N 3.28Å; Q286-T318 VanDerWaalsContact OE1-CB 3.31Å; Q286-T318 PolarHBondContact OE1-OG1 3.29Å
287	T	84.1	Confident	81.6	Confident	63 Å²	63	64.8 Å²	64.8	39%	0.387	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-38.2	176.9	-53.1	0	0	0	0	111.6	L283 L284 A285 L290 F291	L283-T287 PolarHBondContact O-N 3.11Å; L283-T287 PolarHBondContact O-OG1 2.76Å; L284-T287 WeakPolarHBondContact O-CB 3.49Å; L284-T287 PolarHBondContact O-N 3.19Å; L284-T287 VanDerWaalsContact O-N 3.16Å; A285-T287 VanDerWaalsContact C-N 3.31Å; A285-T287 PolarHBondContact O-N 3.46Å; T287-L290 WeakPolarHBondContact O-CB 3.5Å; T287-L290 PolarHBondContact O-N 3.38Å; T287-F291 PolarHBondContact O-N 3.02Å; T287-F291 VanDerWaalsContact O-N 3.1Å
288	V	86.9	Confident	80.9	Confident	80 Å²	80	61 Å²	61	49%	0.485	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-41.4	173.5	175.3	0	0	0	0	111.3	L284 A285 Q286 L290 F291 L292	L284-V288 PolarHBondContact O-N 3.46Å; L284-V288 VanDerWaalsContact O-N 3.08Å; A285-V288 WeakPolarHBondContact O-CB 3.32Å; A285-V288 PolarHBondContact O-N 2.91Å; Q286-V288 VanDerWaalsContact C-N 3.33Å; Q286-V288 PolarHBondContact O-N 2.74Å; V288-L290 PolarHBondContact O-N 2.98Å; V288-F291 WeakPolarHBondContact O-CB 3.19Å; V288-F291 PolarHBondContact O-N 2.86Å; V288-L292 PolarHBondContact O-N 2.97Å; V288-L292 VanDerWaalsContact O-N 3.08Å
289	F	79.9	Confident	80.3	Confident	55 Å²	55	67.1 Å²	67.1	24%	0.241	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-39.4	175.2	-84.7	-77.1	0	0	0	112.6	P253 I257 A285 Q286 F291 L292 I293	P253-F289 HydrophobicContact CB-CE1 4.02Å; P253-F289 HydrophobicContact CB-CZ 4.1Å; I257-F289 HydrophobicContact CD1-CD2 3.55Å; I257-F289 HydrophobicContact CD1-CE2 3.06Å; I257-F289 HydrophobicContact CD1-CZ 3.79Å; A285-F289 VanDerWaalsContact O-CD2 3.24Å; A285-F289 WeakPolarHBondContact O-CD2 3.13Å; A285-F289 PolarHBondContact O-N 3.45Å; Q286-F289 PolarHBondContact O-N 2.98Å; F289-F291 VanDerWaalsContact C-N 3.31Å; F289-F291 PolarHBondContact O-N 2.78Å; F289-L292 PolarHBondContact O-N 3.14Å; F289-I293 WeakPolarHBondContact O-CD1 3.48Å; F289-I293 VanDerWaalsContact O-CG1 3.32Å; F289-I293 WeakPolarHBondContact O-CG1 3.47Å; F289-I293 PolarHBondContact O-N 3.15Å
290	L	76.6	Confident	79.9	Confident	59 Å²	59	69.1 Å²	69.1	31%	0.309	37%	0.37	S	S	.	.	H	α-helix	trans	-58.4	-44.8	173	179.9	73.2	0	0	0	111.1	Q286 T287 V288 L292 I293 A294 L311 M315	Q286-L290 PolarHBondContact O-N 3.28Å; T287-L290 WeakPolarHBondContact O-CB 3.5Å; T287-L290 PolarHBondContact O-N 3.38Å; V288-L290 PolarHBondContact O-N 2.98Å; L290-L292 PolarHBondContact O-N 3.38Å; L290-I293 PolarHBondContact O-N 2.74Å; L290-I293 VanDerWaalsContact O-N 3.16Å; L290-A294 PolarHBondContact O-N 2.9Å; L290-L311 HydrophobicContact CD1-CB 3.88Å; L290-L311 HydrophobicContact CD1-CD1 3.61Å; L290-L311 HydrophobicContact CD1-CG 4.35Å; L290-M315 HydrophobicContact CB-SD 4.36Å; L290-M315 HydrophobicContact CD2-CE 4.31Å; L290-M315 HydrophobicContact CD2-SD 3.71Å; L290-M315 HydrophobicContact CG-SD 4.44Å
291	F	80.8	Confident	79.5	Confident	131 Å²	131	70.5 Å²	70.5	58%	0.575	39%	0.389	S	S	*	.	H	α-helix	trans	-61.8	-41.5	178.7	178.8	-102.4	0	0	0	112.5	T287 V288 F289 I293 A294 Q295	T287-F291 PolarHBondContact O-N 3.02Å; T287-F291 VanDerWaalsContact O-N 3.1Å; V288-F291 WeakPolarHBondContact O-CB 3.19Å; V288-F291 PolarHBondContact O-N 2.86Å; F289-F291 VanDerWaalsContact C-N 3.31Å; F289-F291 PolarHBondContact O-N 2.78Å; F291-I293 VanDerWaalsContact C-N 3.25Å; F291-I293 PolarHBondContact O-N 2.72Å; F291-A294 PolarHBondContact O-N 3.48Å; F291-Q295 VanDerWaalsContact CZ-NE2 3.29Å; F291-Q295 PolarHBondContact O-N 3.48Å
292	L	79.9	Confident	79.1	Confident	88 Å²	88	74.5 Å²	74.5	46%	0.461	40%	0.404	S	S	.	.	H	α-helix	trans	-61.1	-34.7	175.1	-73.8	174.8	0	0	0	112.7	V288 F289 L290	V288-L292 PolarHBondContact O-N 2.97Å; V288-L292 VanDerWaalsContact O-N 3.08Å; F289-L292 PolarHBondContact O-N 3.14Å; L290-L292 PolarHBondContact O-N 3.38Å
293	I	76.6	Confident	78.8	Confident	10 Å²	10	75.4 Å²	75.4	5%	0.051	41%	0.411	C	S	.	.	H	α-helix	trans	-77.2	-37.8	-179.1	-65.6	159.1	0	0	0	111	I250 F289 L290 F291 Q295 K296 V297 I307 L311	I250-I293 HydrophobicContact CD1-CG1 4.17Å; I250-I293 HydrophobicContact CG2-CD1 3.33Å; I250-I293 HydrophobicContact CG2-CG1 3.71Å; F289-I293 WeakPolarHBondContact O-CD1 3.48Å; F289-I293 VanDerWaalsContact O-CG1 3.32Å; F289-I293 WeakPolarHBondContact O-CG1 3.47Å; F289-I293 PolarHBondContact O-N 3.15Å; L290-I293 PolarHBondContact O-N 2.74Å; L290-I293 VanDerWaalsContact O-N 3.16Å; F291-I293 VanDerWaalsContact C-N 3.25Å; F291-I293 PolarHBondContact O-N 2.72Å; I293-Q295 PolarHBondContact O-N 3.1Å; I293-Q295 VanDerWaalsContact O-N 3.13Å; I293-K296 PolarHBondContact O-N 3.46Å; I293-V297 HydrophobicContact CG2-CG2 4.09Å; I293-V297 PolarHBondContact O-N 2.94Å; I293-I307 HydrophobicContact CG2-CG1 4.32Å; I293-I307 HydrophobicContact CG2-CG2 4.12Å; I293-L311 HydrophobicContact CB-CD1 4.15Å; I293-L311 HydrophobicContact CD1-CD1 3.3Å; I293-L311 HydrophobicContact CD1-CD2 3.85Å; I293-L311 HydrophobicContact CD1-CG 4.11Å; I293-L311 HydrophobicContact CG1-CD1 4.3Å; I293-L311 HydrophobicContact CG2-CD1 4.02Å
294	A	71.8	Confident	78.8	Confident	69 Å²	69	76.5 Å²	76.5	57%	0.57	42%	0.42	S	S	*	.	H	α-helix	trans	-57.8	-26.3	175.1	0	0	0	0	0	112.7	L290 F291 K296	L290-A294 PolarHBondContact O-N 2.9Å; F291-A294 PolarHBondContact O-N 3.48Å; A294-K296 VanDerWaalsContact C-N 3.32Å
295	Q	76.4	Confident	78.8	Confident	123 Å²	123	71.7 Å²	71.7	58%	0.575	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.7	174.9	-64.7	-177.6	-4.7	0	0	114.2	F291 I293	F291-Q295 VanDerWaalsContact CZ-NE2 3.29Å; F291-Q295 PolarHBondContact O-N 3.48Å; I293-Q295 PolarHBondContact O-N 3.1Å; I293-Q295 VanDerWaalsContact O-N 3.13Å
296	K	73.6	Confident	78.9	Confident	128 Å²	128	70.6 Å²	70.6	56%	0.557	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-22.4	-175.3	-64.8	-63.3	-173.5	177.7	0	113.6	I293 A294	I293-K296 PolarHBondContact O-N 3.46Å; A294-K296 VanDerWaalsContact C-N 3.32Å
297	V	74.3	Confident	79.1	Confident	27 Å²	27	70.5 Å²	70.5	16%	0.164	38%	0.384	C	S	.	.	S	Bend	trans	-91	138.9	178.5	179.8	0	0	0	0	108.7	I156 F159 I293 P305 I307	I156-V297 HydrophobicContact CD1-CG1 4.47Å; F159-V297 HydrophobicContact CD1-CG2 4.42Å; F159-V297 HydrophobicContact CE1-CG2 4.16Å; I293-V297 HydrophobicContact CG2-CG2 4.09Å; I293-V297 PolarHBondContact O-N 2.94Å; V297-P305 HydrophobicContact CG1-CG 3.98Å; V297-I307 HydrophobicContact CG2-CG2 4.42Å
298	P	70.9	Confident	79.1	Confident	7 Å²	7	68.1 Å²	68.1	5%	0.045	37%	0.372	C	S	.	.			trans	-63.7	152.8	174	30	-38.4	0	0	0	112.1	E69 I156 T300	E69-P298 HydrophobicContact CB-CG 4.16Å; E69-P298 VanDerWaalsContact O-CB 3.26Å; E69-P298 WeakPolarHBondContact O-CB 3.37Å; I156-P298 HydrophobicContact CG2-CG 3.78Å; P298-T300 HydrophobicContact CB-CG2 4.3Å; P298-T300 PolarHBondContact O-N 3.36Å
299	E	71.2	Confident	79.2	Confident	182 Å²	182	69 Å²	69	85%	0.85	37%	0.369	S	S	*	.			trans	-79.8	52.1	-179.1	-63.5	176.6	-166.4	0	0	112
300	T	74.1	Confident	79.6	Confident	44 Å²	44	66.4 Å²	66.4	27%	0.27	36%	0.358	S	S	.	.			trans	-98.5	142.2	179	63.3	0	0	0	0	112	I156 P298	I156-T300 WeakPolarHBondContact CD1-OG1 3.12Å; P298-T300 HydrophobicContact CB-CG2 4.3Å; P298-T300 PolarHBondContact O-N 3.36Å
301	S	76.9	Confident	80	Confident	125 Å²	125	63.9 Å²	63.9	87%	0.874	34%	0.344	S	S	*	.			trans	-104.4	3.5	-177.8	57.9	0	0	0	0	114
302	L	78.6	Confident	80.3	Confident	152 Å²	152	62.6 Å²	62.6	80%	0.796	34%	0.342	S	S	*	.	S	Bend	trans	-66.8	-37.4	-177.7	-66.9	173.1	0	0	0	112.4
303	S	80	Confident	80.7	Confident	32 Å²	32	60.5 Å²	60.5	22%	0.224	33%	0.33	C	S	.	.			trans	-156.3	155.8	177.6	64.8	0	0	0	0	111.3	I156 T157	I156-S303 VanDerWaalsContact CD1-O 3.3Å; I156-S303 WeakPolarHBondContact CD1-O 3.42Å; T157-S303 VanDerWaalsContact CG2-OG 3.29Å; T157-S303 WeakPolarHBondContact CG2-OG 3.23Å
304	V	84.4	Confident	81.2	Confident	73 Å²	73	60.1 Å²	60.1	44%	0.442	33%	0.328	S	S	.	.			trans	-88	127.7	173.1	-175.9	0	0	0	0	108.8	K309	V304-K309 HydrophobicContact CB-CG 4.28Å; V304-K309 HydrophobicContact CG1-CG 3.91Å; V304-K309 WeakPolarHBondContact O-CE 3.17Å; V304-K309 PolarHBondContact O-NZ 3.2Å
305	P	88.8	Confident	82	Confident	16 Å²	16	59 Å²	59	10%	0.104	31%	0.311	C	S	.	.			trans	-68.2	153.5	-177.6	30.1	-36.5	0	0	0	111.8	I156 F159 V297 I307 G308 K309	I156-P305 WeakPolarHBondContact O-CA 3.36Å; I156-P305 VanDerWaalsContact O-CB 3.32Å; I156-P305 WeakPolarHBondContact O-CB 3.44Å; F159-P305 HydrophobicContact CB-CB 4.09Å; V297-P305 HydrophobicContact CG1-CG 3.98Å; P305-I307 VanDerWaalsContact C-N 3.3Å; P305-I307 HydrophobicContact CB-CG2 4.26Å; P305-I307 HydrophobicContact CG-CG2 4.33Å; P305-I307 PolarHBondContact O-N 3.41Å; P305-G308 CarbonylContact O-C 3.59Å; P305-G308 WeakPolarHBondContact O-CA 3.42Å; P305-G308 PolarHBondContact O-N 2.71Å; P305-K309 PolarHBondContact O-N 3.42Å
306	L	88.4	Confident	82.6	Confident	11 Å²	11	55.8 Å²	55.8	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-56.9	-42.6	-178.9	-168.2	74.4	0	0	0	112.3	T157 F161 G308 K309 Y310 I492 G496	T157-L306 PolarHBondContact O-N 3.36Å; T157-L306 VanDerWaalsContact O-N 3.12Å; F161-L306 HydrophobicContact CD2-CD2 4.21Å; L306-G308 VanDerWaalsContact C-N 3.29Å; L306-G308 PolarHBondContact O-N 2.91Å; L306-K309 PolarHBondContact O-N 3.18Å; L306-Y310 PolarHBondContact O-N 3.24Å; L306-I492 HydrophobicContact CD1-CG2 3.69Å; L306-I492 HydrophobicContact CD2-CG2 4.39Å; L306-I492 HydrophobicContact CG-CG2 3.77Å; L306-G496 VanDerWaalsContact CD2-CA 3.48Å
307	I	86	Confident	83.3	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-39.4	173.6	-164.6	70.9	0	0	0	111.9	F159 I250 I251 I293 V297 P305 Y310 L311	F159-I307 HydrophobicContact CD1-CG2 3.8Å; F159-I307 HydrophobicContact CE1-CG2 4.24Å; F159-I307 PolarHBondContact O-N 3.32Å; I250-I307 HydrophobicContact CG2-CD1 4.08Å; I250-I307 HydrophobicContact CG2-CG1 4.4Å; I251-I307 HydrophobicContact CG1-CD1 3.87Å; I293-I307 HydrophobicContact CG2-CG1 4.32Å; I293-I307 HydrophobicContact CG2-CG2 4.12Å; V297-I307 HydrophobicContact CG2-CG2 4.42Å; P305-I307 VanDerWaalsContact C-N 3.3Å; P305-I307 HydrophobicContact CB-CG2 4.26Å; P305-I307 HydrophobicContact CG-CG2 4.33Å; P305-I307 PolarHBondContact O-N 3.41Å; I307-Y310 WeakPolarHBondContact O-CB 3.4Å; I307-Y310 PolarHBondContact O-N 3.38Å; I307-L311 HydrophobicContact CG1-CD1 4.45Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.23Å; I307-L311 PolarHBondContact O-N 3.42Å
308	G	85.8	Confident	83.9	Confident	12 Å²	12	49.1 Å²	49.1	12%	0.124	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-44	177.2	0	0	0	0	0	112	P305 L306 Y310 L311 I312	P305-G308 CarbonylContact O-C 3.59Å; P305-G308 WeakPolarHBondContact O-CA 3.42Å; P305-G308 PolarHBondContact O-N 2.71Å; L306-G308 VanDerWaalsContact C-N 3.29Å; L306-G308 PolarHBondContact O-N 2.91Å; G308-Y310 VanDerWaalsContact C-N 3.31Å; G308-Y310 PolarHBondContact O-N 3Å; G308-L311 PolarHBondContact O-N 3.43Å; G308-I312 VanDerWaalsContact O-CG1 3.31Å; G308-I312 WeakPolarHBondContact O-CG1 3.35Å; G308-I312 PolarHBondContact O-N 2.91Å
309	K	87.7	Confident	84.8	Confident	99 Å²	99	52 Å²	52	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-43.3	173.3	-69	174	-179.8	160.5	0	111.3	V304 P305 L306 F313	V304-K309 HydrophobicContact CB-CG 4.28Å; V304-K309 HydrophobicContact CG1-CG 3.91Å; V304-K309 WeakPolarHBondContact O-CE 3.17Å; V304-K309 PolarHBondContact O-NZ 3.2Å; P305-K309 PolarHBondContact O-N 3.42Å; L306-K309 PolarHBondContact O-N 3.18Å; K309-F313 VanDerWaalsContact O-CB 3.29Å; K309-F313 WeakPolarHBondContact O-CB 3.45Å; K309-F313 PolarHBondContact O-N 2.89Å
310	Y	87.9	Confident	85.6	Confident	1 Å²	1	48.1 Å²	48.1	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-46.5	176.1	176.8	-116.9	0	0	0	112.3	C254 S255 L306 I307 G308 F313 V314 T489 I492 F493	C254-Y310 HydrophobicContact CB-CE1 4.29Å; S255-Y310 PolarHBondContact OG-OH 3.01Å; L306-Y310 PolarHBondContact O-N 3.24Å; I307-Y310 WeakPolarHBondContact O-CB 3.4Å; I307-Y310 PolarHBondContact O-N 3.38Å; G308-Y310 VanDerWaalsContact C-N 3.31Å; G308-Y310 PolarHBondContact O-N 3Å; Y310-F313 HydrophobicContact CD2-CD1 4.47Å; Y310-F313 WeakPolarHBondContact O-CB 3.39Å; Y310-F313 PolarHBondContact O-N 3.36Å; Y310-V314 HydrophobicContact CD1-CG2 4.48Å; Y310-V314 HydrophobicContact CD2-CG2 3.99Å; Y310-V314 HydrophobicContact CE1-CG2 4.08Å; Y310-V314 HydrophobicContact CE2-CG2 3.51Å; Y310-V314 HydrophobicContact CG-CG2 4.45Å; Y310-V314 WeakPolarHBondContact O-CB 3.28Å; Y310-V314 WeakPolarHBondContact O-CG2 3.07Å; Y310-V314 PolarHBondContact O-N 3.04Å; Y310-T489 HydrophobicContact CE2-CG2 3.93Å; Y310-I492 HydrophobicContact CD2-CD1 4.2Å; Y310-F493 HydrophobicContact CD1-CZ 4.07Å; Y310-F493 HydrophobicContact CD2-CE2 4.26Å; Y310-F493 HydrophobicContact CD2-CZ 4.41Å; Y310-F493 HydrophobicContact CE1-CE2 4.31Å; Y310-F493 HydrophobicContact CE1-CZ 4.09Å; Y310-F493 HydrophobicContact CE2-CE2 4.02Å; Y310-F493 HydrophobicContact CE2-CZ 4.45Å; Y310-F493 HydrophobicContact CG-CZ 4.23Å
311	L	84.9	Confident	86.3	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-43	179.8	-65.5	162.9	0	0	0	112.3	L290 I293 I307 G308 F313 V314 M315	L290-L311 HydrophobicContact CD1-CB 3.88Å; L290-L311 HydrophobicContact CD1-CD1 3.61Å; L290-L311 HydrophobicContact CD1-CG 4.35Å; I293-L311 HydrophobicContact CB-CD1 4.15Å; I293-L311 HydrophobicContact CD1-CD1 3.3Å; I293-L311 HydrophobicContact CD1-CD2 3.85Å; I293-L311 HydrophobicContact CD1-CG 4.11Å; I293-L311 HydrophobicContact CG1-CD1 4.3Å; I293-L311 HydrophobicContact CG2-CD1 4.02Å; I307-L311 HydrophobicContact CG1-CD1 4.45Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.23Å; I307-L311 PolarHBondContact O-N 3.42Å; G308-L311 PolarHBondContact O-N 3.43Å; L311-F313 VanDerWaalsContact C-N 3.3Å; L311-F313 PolarHBondContact O-N 3.16Å; L311-V314 PolarHBondContact O-N 3.16Å; L311-M315 WeakPolarHBondContact O-CB 3.49Å; L311-M315 VanDerWaalsContact O-CG 3.27Å; L311-M315 WeakPolarHBondContact O-CG 3.41Å; L311-M315 PolarHBondContact O-N 3.44Å
312	I	87.3	Confident	86.8	Confident	104 Å²	104	41 Å²	41	53%	0.533	23%	0.227	S	C	.	.	H	α-helix	trans	-61.1	-43.6	175.9	-67.8	166.7	0	0	0	109.9	G308 M315 S316	G308-I312 VanDerWaalsContact O-CG1 3.31Å; G308-I312 WeakPolarHBondContact O-CG1 3.35Å; G308-I312 PolarHBondContact O-N 2.91Å; I312-M315 PolarHBondContact O-N 3.38Å; I312-S316 WeakPolarHBondContact O-CB 3.46Å; I312-S316 PolarHBondContact O-N 2.8Å; I312-S316 PolarHBondContact O-OG 3.44Å
313	F	89.3	Confident	87.3	Confident	45 Å²	45	37 Å²	37	20%	0.197	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-55.5	173.6	167.4	-104.3	0	0	0	110.9	K309 Y310 L311 M315 S316 V317 L484 I492	K309-F313 VanDerWaalsContact O-CB 3.29Å; K309-F313 WeakPolarHBondContact O-CB 3.45Å; K309-F313 PolarHBondContact O-N 2.89Å; Y310-F313 HydrophobicContact CD2-CD1 4.47Å; Y310-F313 WeakPolarHBondContact O-CB 3.39Å; Y310-F313 PolarHBondContact O-N 3.36Å; L311-F313 VanDerWaalsContact C-N 3.3Å; L311-F313 PolarHBondContact O-N 3.16Å; F313-M315 VanDerWaalsContact C-N 3.34Å; F313-M315 PolarHBondContact O-N 3.49Å; F313-S316 PolarHBondContact O-N 2.93Å; F313-S316 VanDerWaalsContact O-N 3.15Å; F313-S316 PolarHBondContact O-OG 3.31Å; F313-V317 HydrophobicContact CD2-CG2 4.11Å; F313-V317 HydrophobicContact CE1-CG2 4.3Å; F313-V317 HydrophobicContact CE2-CG2 3.72Å; F313-V317 HydrophobicContact CZ-CG2 3.81Å; F313-V317 VanDerWaalsContact O-CG2 3.31Å; F313-V317 WeakPolarHBondContact O-CG2 3.23Å; F313-V317 PolarHBondContact O-N 2.84Å; F313-L484 HydrophobicContact CE2-CD2 3.78Å; F313-L484 HydrophobicContact CZ-CD2 3.7Å; F313-I492 HydrophobicContact CB-CD1 4.26Å; F313-I492 HydrophobicContact CD1-CD1 4.16Å; F313-I492 HydrophobicContact CG-CD1 4.24Å
314	V	87.6	Confident	87.7	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-56.7	-45.8	179.3	166	0	0	0	0	111.7	S258 Y310 L311 S316 V317 T318 F485	S258-V314 WeakPolarHBondContact OG-CG1 3.21Å; Y310-V314 HydrophobicContact CD1-CG2 4.48Å; Y310-V314 HydrophobicContact CD2-CG2 3.99Å; Y310-V314 HydrophobicContact CE1-CG2 4.08Å; Y310-V314 HydrophobicContact CE2-CG2 3.51Å; Y310-V314 HydrophobicContact CG-CG2 4.45Å; Y310-V314 WeakPolarHBondContact O-CB 3.28Å; Y310-V314 WeakPolarHBondContact O-CG2 3.07Å; Y310-V314 PolarHBondContact O-N 3.04Å; L311-V314 PolarHBondContact O-N 3.16Å; V314-S316 PolarHBondContact O-N 3.2Å; V314-V317 PolarHBondContact O-N 2.85Å; V314-T318 HydrophobicContact CG1-CG2 4.38Å; V314-T318 WeakPolarHBondContact O-CG2 3.42Å; V314-T318 PolarHBondContact O-N 2.92Å; V314-T318 PolarHBondContact O-OG1 3.45Å; V314-F485 HydrophobicContact CG2-CE2 4.31Å
315	M	87.1	Confident	87.7	Confident	45 Å²	45	35 Å²	35	22%	0.222	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-38.4	178.5	-74.2	-178.7	72.1	0	0	112.8	L290 L311 I312 F313 V317 T318 T319	L290-M315 HydrophobicContact CB-SD 4.36Å; L290-M315 HydrophobicContact CD2-CE 4.31Å; L290-M315 HydrophobicContact CD2-SD 3.71Å; L290-M315 HydrophobicContact CG-SD 4.44Å; L311-M315 WeakPolarHBondContact O-CB 3.49Å; L311-M315 VanDerWaalsContact O-CG 3.27Å; L311-M315 WeakPolarHBondContact O-CG 3.41Å; L311-M315 PolarHBondContact O-N 3.44Å; I312-M315 PolarHBondContact O-N 3.38Å; F313-M315 VanDerWaalsContact C-N 3.34Å; F313-M315 PolarHBondContact O-N 3.49Å; M315-V317 VanDerWaalsContact C-N 3.34Å; M315-T318 WeakPolarHBondContact CA-OG1 3.37Å; M315-T318 PolarHBondContact O-OG1 3.11Å; M315-T318 VanDerWaalsContact O-OG1 3.11Å; M315-T319 WeakPolarHBondContact O-CB 3.32Å; M315-T319 PolarHBondContact O-N 3.02Å; M315-T319 PolarHBondContact O-OG1 2.95Å
316	S	89.6	Confident	87.7	Confident	55 Å²	55	38.8 Å²	38.8	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-64.2	-42.3	174.2	75.3	0	0	0	0	110.9	I312 F313 V314 T319 L320	I312-S316 WeakPolarHBondContact O-CB 3.46Å; I312-S316 PolarHBondContact O-N 2.8Å; I312-S316 PolarHBondContact O-OG 3.44Å; F313-S316 PolarHBondContact O-N 2.93Å; F313-S316 VanDerWaalsContact O-N 3.15Å; F313-S316 PolarHBondContact O-OG 3.31Å; V314-S316 PolarHBondContact O-N 3.2Å; S316-T319 PolarHBondContact O-N 3.2Å; S316-L320 WeakPolarHBondContact O-CG 3.26Å; S316-L320 PolarHBondContact O-N 3.07Å
317	V	89.1	Confident	87.7	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-43.5	178	173.7	0	0	0	0	111.1	F313 V314 M315 T319 L320 I321 L484	F313-V317 HydrophobicContact CD2-CG2 4.11Å; F313-V317 HydrophobicContact CE1-CG2 4.3Å; F313-V317 HydrophobicContact CE2-CG2 3.72Å; F313-V317 HydrophobicContact CZ-CG2 3.81Å; F313-V317 VanDerWaalsContact O-CG2 3.31Å; F313-V317 WeakPolarHBondContact O-CG2 3.23Å; F313-V317 PolarHBondContact O-N 2.84Å; V314-V317 PolarHBondContact O-N 2.85Å; M315-V317 VanDerWaalsContact C-N 3.34Å; V317-T319 VanDerWaalsContact C-N 3.34Å; V317-T319 PolarHBondContact O-N 3.06Å; V317-L320 PolarHBondContact O-N 3.06Å; V317-I321 HydrophobicContact CG1-CD1 3.79Å; V317-I321 HydrophobicContact CG1-CG1 4.39Å; V317-I321 VanDerWaalsContact O-CG1 3.27Å; V317-I321 WeakPolarHBondContact O-CG1 3.5Å; V317-I321 PolarHBondContact O-N 3.46Å; V317-L484 HydrophobicContact CB-CD2 4.29Å; V317-L484 HydrophobicContact CG1-CD2 4.05Å; V317-L484 HydrophobicContact CG2-CD2 3.21Å
318	T	86.6	Confident	87.7	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-32.6	178.7	56.2	0	0	0	0	112.7	V261 L283 Q286 V314 M315 I321 A322	V261-T318 HydrophobicContact CB-CG2 4.16Å; V261-T318 HydrophobicContact CG1-CG2 4.06Å; V261-T318 HydrophobicContact CG2-CG2 3.72Å; L283-T318 WeakPolarHBondContact CD1-OG1 3.01Å; Q286-T318 VanDerWaalsContact OE1-CB 3.31Å; Q286-T318 PolarHBondContact OE1-OG1 3.29Å; V314-T318 HydrophobicContact CG1-CG2 4.38Å; V314-T318 WeakPolarHBondContact O-CG2 3.42Å; V314-T318 PolarHBondContact O-N 2.92Å; V314-T318 PolarHBondContact O-OG1 3.45Å; M315-T318 WeakPolarHBondContact CA-OG1 3.37Å; M315-T318 PolarHBondContact O-OG1 3.11Å; M315-T318 VanDerWaalsContact O-OG1 3.11Å; T318-I321 PolarHBondContact O-N 2.9Å; T318-A322 VanDerWaalsContact O-CB 3.29Å; T318-A322 WeakPolarHBondContact O-CB 3.43Å; T318-A322 PolarHBondContact O-N 3.05Å
319	T	88.8	Confident	87.7	Confident	68 Å²	68	42.4 Å²	42.4	42%	0.417	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-43.8	170.8	-54.9	0	0	0	0	111	M315 S316 V317 I321 A322 T323	M315-T319 WeakPolarHBondContact O-CB 3.32Å; M315-T319 PolarHBondContact O-N 3.02Å; M315-T319 PolarHBondContact O-OG1 2.95Å; S316-T319 PolarHBondContact O-N 3.2Å; V317-T319 VanDerWaalsContact C-N 3.34Å; V317-T319 PolarHBondContact O-N 3.06Å; T319-I321 PolarHBondContact O-N 2.8Å; T319-A322 PolarHBondContact O-N 2.8Å; T319-T323 WeakPolarHBondContact O-CG2 3.12Å; T319-T323 PolarHBondContact O-N 2.59Å; T319-T323 PolarHBondContact O-OG1 2.8Å
320	L	89.9	Confident	87.7	Confident	101 Å²	101	41.7 Å²	41.7	53%	0.529	23%	0.231	S	C	.	.	H	α-helix	trans	-64.2	-37.7	174.6	-72.2	170.9	0	0	0	112.6	S316 V317 T323 N324	S316-L320 WeakPolarHBondContact O-CG 3.26Å; S316-L320 PolarHBondContact O-N 3.07Å; V317-L320 PolarHBondContact O-N 3.06Å; L320-T323 WeakPolarHBondContact CA-OG1 3.29Å; L320-T323 PolarHBondContact O-OG1 2.89Å; L320-N324 WeakPolarHBondContact O-CB 3.06Å; L320-N324 VanDerWaalsContact O-CG 3.25Å; L320-N324 PolarHBondContact O-N 3.25Å; L320-N324 PolarHBondContact O-ND2 2.81Å
321	I	88.6	Confident	87.5	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-45.8	174.7	-66.5	166.2	0	0	0	109.6	V261 V262 Y265 V317 T318 T319 T323 N324 Q325 A481	V261-I321 HydrophobicContact CB-CD1 4.44Å; V261-I321 HydrophobicContact CG1-CB 3.8Å; V261-I321 HydrophobicContact CG1-CD1 3.66Å; V261-I321 HydrophobicContact CG1-CG1 4.33Å; V261-I321 HydrophobicContact CG1-CG2 3.49Å; V261-I321 VanDerWaalsContact CG1-CG2 3.49Å; V262-I321 HydrophobicContact CG2-CD1 4.47Å; Y265-I321 HydrophobicContact CD2-CG2 4.36Å; Y265-I321 HydrophobicContact CE2-CB 4.32Å; Y265-I321 HydrophobicContact CE2-CD1 4.32Å; Y265-I321 HydrophobicContact CE2-CG1 3.99Å; Y265-I321 HydrophobicContact CE2-CG2 3.47Å; Y265-I321 VanDerWaalsContact CE2-CG2 3.47Å; Y265-I321 WeakPolarHBondContact OH-CG2 3.27Å; V317-I321 HydrophobicContact CG1-CD1 3.79Å; V317-I321 HydrophobicContact CG1-CG1 4.39Å; V317-I321 VanDerWaalsContact O-CG1 3.27Å; V317-I321 WeakPolarHBondContact O-CG1 3.5Å; V317-I321 PolarHBondContact O-N 3.46Å; T318-I321 PolarHBondContact O-N 2.9Å; T319-I321 PolarHBondContact O-N 2.8Å; I321-T323 PolarHBondContact O-N 3.49Å; I321-N324 CarbonylContact O-C 3.58Å; I321-N324 WeakPolarHBondContact O-CB 3.28Å; I321-N324 PolarHBondContact O-N 3.02Å; I321-N324 VanDerWaalsContact O-N 3.16Å; I321-Q325 HydrophobicContact CG2-CG 4.22Å; I321-Q325 VanDerWaalsContact O-CG 3.29Å; I321-Q325 WeakPolarHBondContact O-CG 3.45Å; I321-Q325 PolarHBondContact O-N 2.92Å; I321-A481 HydrophobicContact CD1-CB 4.13Å; I321-A481 HydrophobicContact CG1-CB 4.21Å
322	A	87.3	Confident	87.4	Confident	14 Å²	14	44.8 Å²	44.8	12%	0.116	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-43.8	178.7	0	0	0	0	0	112.3	S279 T318 T319 Q325 I326	S279-A322 WeakPolarHBondContact OG-CA 3.47Å; S279-A322 WeakPolarHBondContact OG-CB 3.36Å; T318-A322 VanDerWaalsContact O-CB 3.29Å; T318-A322 WeakPolarHBondContact O-CB 3.43Å; T318-A322 PolarHBondContact O-N 3.05Å; T319-A322 PolarHBondContact O-N 2.8Å; A322-Q325 PolarHBondContact O-N 2.8Å; A322-I326 WeakPolarHBondContact O-CG1 3.26Å; A322-I326 PolarHBondContact O-N 2.74Å; A322-I326 VanDerWaalsContact O-N 3.1Å
323	T	88.4	Confident	87.2	Confident	69 Å²	69	44.7 Å²	44.7	42%	0.423	24%	0.244	S	C	.	.	H	α-helix	trans	-64.6	-42.5	175	55.2	0	0	0	0	111.7	T319 L320 I321 Q325 I326 V327	T319-T323 WeakPolarHBondContact O-CG2 3.12Å; T319-T323 PolarHBondContact O-N 2.59Å; T319-T323 PolarHBondContact O-OG1 2.8Å; L320-T323 WeakPolarHBondContact CA-OG1 3.29Å; L320-T323 PolarHBondContact O-OG1 2.89Å; I321-T323 PolarHBondContact O-N 3.49Å; T323-Q325 VanDerWaalsContact C-N 3.29Å; T323-Q325 PolarHBondContact O-N 2.95Å; T323-I326 WeakPolarHBondContact O-CB 3.45Å; T323-I326 PolarHBondContact O-N 3.03Å; T323-V327 WeakPolarHBondContact O-CG2 3.29Å; T323-V327 PolarHBondContact O-N 2.99Å
324	N	88	Confident	87	Confident	60 Å²	60	44.7 Å²	44.7	32%	0.321	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-38.8	173	-76.5	-36.7	0	0	0	112.2	L320 I321 I326 V327 V328	L320-N324 WeakPolarHBondContact O-CB 3.06Å; L320-N324 VanDerWaalsContact O-CG 3.25Å; L320-N324 PolarHBondContact O-N 3.25Å; L320-N324 PolarHBondContact O-ND2 2.81Å; I321-N324 CarbonylContact O-C 3.58Å; I321-N324 WeakPolarHBondContact O-CB 3.28Å; I321-N324 PolarHBondContact O-N 3.02Å; I321-N324 VanDerWaalsContact O-N 3.16Å; N324-I326 VanDerWaalsContact C-N 3.35Å; N324-I326 PolarHBondContact O-N 2.99Å; N324-V327 WeakPolarHBondContact O-CB 3.4Å; N324-V327 PolarHBondContact O-N 3Å; N324-V328 WeakPolarHBondContact O-CG2 3.13Å; N324-V328 PolarHBondContact O-N 2.95Å
325	Q	85.6	Confident	86.5	Confident	3 Å²	3	46 Å²	46	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-38.1	176.3	-58.5	-44.5	-10	0	0	112.5	Y265 I321 A322 T323 V327 V328 L329 D474	Y265-Q325 VanDerWaalsContact CZ-NE2 3.34Å; I321-Q325 HydrophobicContact CG2-CG 4.22Å; I321-Q325 VanDerWaalsContact O-CG 3.29Å; I321-Q325 WeakPolarHBondContact O-CG 3.45Å; I321-Q325 PolarHBondContact O-N 2.92Å; A322-Q325 PolarHBondContact O-N 2.8Å; T323-Q325 VanDerWaalsContact C-N 3.29Å; T323-Q325 PolarHBondContact O-N 2.95Å; Q325-V327 VanDerWaalsContact C-N 3.3Å; Q325-V327 PolarHBondContact O-N 2.82Å; Q325-V328 PolarHBondContact O-N 3.17Å; Q325-L329 VanDerWaalsContact O-CB 3.28Å; Q325-L329 WeakPolarHBondContact O-CB 3.41Å; Q325-L329 PolarHBondContact O-N 3.37Å; Q325-D474 PolarHBondContact OE1-OD1 3.09Å
326	I	87.6	Confident	86	Confident	94 Å²	94	45.6 Å²	45.6	48%	0.482	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-41.2	173.9	-65.5	165.7	0	0	0	110.1	L276 A322 T323 N324 L329 N330	L276-I326 HydrophobicContact CD1-CD1 4.34Å; L276-I326 HydrophobicContact CD1-CG1 3.78Å; A322-I326 WeakPolarHBondContact O-CG1 3.26Å; A322-I326 PolarHBondContact O-N 2.74Å; A322-I326 VanDerWaalsContact O-N 3.1Å; T323-I326 WeakPolarHBondContact O-CB 3.45Å; T323-I326 PolarHBondContact O-N 3.03Å; N324-I326 VanDerWaalsContact C-N 3.35Å; N324-I326 PolarHBondContact O-N 2.99Å; I326-L329 PolarHBondContact O-N 3.34Å; I326-N330 WeakPolarHBondContact O-CB 3.37Å; I326-N330 PolarHBondContact O-N 3.35Å
327	V	88.1	Confident	85.3	Confident	66 Å²	66	48.2 Å²	48.2	40%	0.4	27%	0.271	S	S	.	.	H	α-helix	trans	-64.8	-49.3	176.2	174.7	0	0	0	0	111.1	T323 N324 Q325 L329 N330 Y331	T323-V327 WeakPolarHBondContact O-CG2 3.29Å; T323-V327 PolarHBondContact O-N 2.99Å; N324-V327 WeakPolarHBondContact O-CB 3.4Å; N324-V327 PolarHBondContact O-N 3Å; Q325-V327 VanDerWaalsContact C-N 3.3Å; Q325-V327 PolarHBondContact O-N 2.82Å; V327-L329 VanDerWaalsContact C-N 3.26Å; V327-L329 PolarHBondContact O-N 2.83Å; V327-N330 WeakPolarHBondContact O-CB 3.18Å; V327-N330 PolarHBondContact O-N 3.04Å; V327-N330 VanDerWaalsContact O-N 3.08Å; V327-Y331 HydrophobicContact CG1-CD2 3.79Å; V327-Y331 HydrophobicContact CG1-CE2 3.85Å; V327-Y331 WeakPolarHBondContact O-CD2 3.33Å; V327-Y331 PolarHBondContact O-N 3.37Å
328	V	87.2	Confident	85	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-40.8	177.9	170.9	0	0	0	0	111	A269 N324 Q325 Y331 S332 I473 D474	A269-V328 HydrophobicContact CB-CG1 4.35Å; N324-V328 WeakPolarHBondContact O-CG2 3.13Å; N324-V328 PolarHBondContact O-N 2.95Å; Q325-V328 PolarHBondContact O-N 3.17Å; V328-Y331 PolarHBondContact O-N 2.96Å; V328-S332 VanDerWaalsContact O-CB 3.32Å; V328-S332 WeakPolarHBondContact O-CB 3.37Å; V328-S332 PolarHBondContact O-N 3.16Å; V328-S332 PolarHBondContact O-OG 3.5Å; V328-I473 HydrophobicContact CG2-CB 4.25Å; V328-I473 HydrophobicContact CG2-CG2 3.66Å; V328-D474 HydrophobicContact CG1-CB 4.4Å
329	L	85.8	Confident	84.8	Confident	40 Å²	40	55.6 Å²	55.6	21%	0.209	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-43.4	175.5	-173.2	65.3	0	0	0	111.5	A269 Q325 I326 V327 Y331 S332 L333	A269-L329 HydrophobicContact CB-CD1 4.45Å; Q325-L329 VanDerWaalsContact O-CB 3.28Å; Q325-L329 WeakPolarHBondContact O-CB 3.41Å; Q325-L329 PolarHBondContact O-N 3.37Å; I326-L329 PolarHBondContact O-N 3.34Å; V327-L329 VanDerWaalsContact C-N 3.26Å; V327-L329 PolarHBondContact O-N 2.83Å; L329-Y331 VanDerWaalsContact C-N 3.34Å; L329-Y331 PolarHBondContact O-N 3.45Å; L329-S332 PolarHBondContact O-N 3.46Å; L329-L333 HydrophobicContact CD1-CD1 3.72Å; L329-L333 HydrophobicContact CD1-CG 4.05Å; L329-L333 HydrophobicContact CG-CD1 3.82Å; L329-L333 HydrophobicContact CG-CG 4.42Å; L329-L333 WeakPolarHBondContact O-CB 3.29Å; L329-L333 WeakPolarHBondContact O-CG 3.13Å; L329-L333 PolarHBondContact O-N 3.38Å; L329-L333 VanDerWaalsContact O-N 3.07Å
330	N	86.9	Confident	84.4	Confident	84 Å²	84	60.2 Å²	60.2	45%	0.449	33%	0.331	S	S	.	.	H	α-helix	trans	-58	-45.9	175.6	-176.3	-90.4	0	0	0	111.7	I326 V327 R334	I326-N330 WeakPolarHBondContact O-CB 3.37Å; I326-N330 PolarHBondContact O-N 3.35Å; V327-N330 WeakPolarHBondContact O-CB 3.18Å; V327-N330 PolarHBondContact O-N 3.04Å; V327-N330 VanDerWaalsContact O-N 3.08Å; N330-R334 WeakPolarHBondContact O-CG 3.39Å; N330-R334 PolarHBondContact OD1-NE 2.93Å; N330-R334 PolarHBondContact OD1-NH2 3.19Å
331	Y	84.4	Confident	83.7	Confident	62 Å²	62	56.9 Å²	56.9	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-40	178.7	-87.3	-88.3	0	0	0	112.8	V327 V328 L329 L333 R334 W466 I469 I473	V327-Y331 HydrophobicContact CG1-CD2 3.79Å; V327-Y331 HydrophobicContact CG1-CE2 3.85Å; V327-Y331 WeakPolarHBondContact O-CD2 3.33Å; V327-Y331 PolarHBondContact O-N 3.37Å; V328-Y331 PolarHBondContact O-N 2.96Å; L329-Y331 VanDerWaalsContact C-N 3.34Å; L329-Y331 PolarHBondContact O-N 3.45Å; Y331-L333 VanDerWaalsContact C-N 3.31Å; Y331-L333 PolarHBondContact O-N 3.23Å; Y331-R334 PolarHBondContact O-N 3.1Å; Y331-W466 HydrophobicContact CD1-CE3 4.09Å; Y331-W466 AromaticContact CD1-CZ3 3.65Å; Y331-W466 HydrophobicContact CD1-CZ3 3.65Å; Y331-W466 AromaticContact CE1-CZ3 3.93Å; Y331-W466 HydrophobicContact CE1-CZ3 3.93Å; Y331-I469 HydrophobicContact CD1-CG2 4.46Å; Y331-I473 HydrophobicContact CD1-CD1 4.36Å; Y331-I473 HydrophobicContact CD2-CD1 4.32Å; Y331-I473 HydrophobicContact CG-CD1 4.12Å
332	S	82.9	Confident	83.5	Confident	8 Å²	8	59.6 Å²	59.6	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-73.1	-22.9	-177	-54	0	0	0	0	113.4	A269 V328 L329	A269-S332 WeakPolarHBondContact CB-OG 3.44Å; V328-S332 VanDerWaalsContact O-CB 3.32Å; V328-S332 WeakPolarHBondContact O-CB 3.37Å; V328-S332 PolarHBondContact O-N 3.16Å; V328-S332 PolarHBondContact O-OG 3.5Å; L329-S332 PolarHBondContact O-N 3.46Å
333	L	82.5	Confident	83.1	Confident	102 Å²	102	66.9 Å²	66.9	53%	0.534	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.3	178.2	-64.8	177.7	0	0	0	113.5	L329 Y331	L329-L333 HydrophobicContact CD1-CD1 3.72Å; L329-L333 HydrophobicContact CD1-CG 4.05Å; L329-L333 HydrophobicContact CG-CD1 3.82Å; L329-L333 HydrophobicContact CG-CG 4.42Å; L329-L333 WeakPolarHBondContact O-CB 3.29Å; L329-L333 WeakPolarHBondContact O-CG 3.13Å; L329-L333 PolarHBondContact O-N 3.38Å; L329-L333 VanDerWaalsContact O-N 3.07Å; Y331-L333 VanDerWaalsContact C-N 3.31Å; Y331-L333 PolarHBondContact O-N 3.23Å
334	R	84.1	Confident	82.8	Confident	45 Å²	45	68.6 Å²	68.6	17%	0.17	38%	0.375	C	S	.	.			trans	-67.7	137	176.6	-82.6	173.1	-169.1	-165	1.3	111.1	N330 Y331 H339 W466	N330-R334 WeakPolarHBondContact O-CG 3.39Å; N330-R334 PolarHBondContact OD1-NE 2.93Å; N330-R334 PolarHBondContact OD1-NH2 3.19Å; Y331-R334 PolarHBondContact O-N 3.1Å; R334-H339 HydrophobicContact CG-CB 4.35Å; R334-W466 HydrophobicContact CB-CD2 3.87Å; R334-W466 HydrophobicContact CB-CE3 4.18Å; R334-W466 HydrophobicContact CB-CG 4.06Å
335	S	78.6	Confident	82.4	Confident	30 Å²	30	67.5 Å²	67.5	21%	0.21	37%	0.37	C	S	.	.			trans	-117.9	155.3	174	65.3	0	0	0	0	110.8	S337 T338 H339	S335-S337 PolarHBondContact O-N 3.31Å; S335-S337 VanDerWaalsContact O-N 3.12Å; S335-S337 PolarHBondContact OG-OG 3.48Å; S335-T338 PolarHBondContact O-N 3.23Å; S335-T338 PolarHBondContact O-OG1 3.08Å; S335-T338 PolarHBondContact OG-OG1 2.88Å; S335-H339 PolarHBondContact O-N 3.43Å; S335-H339 VanDerWaalsContact O-N 3.1Å
336	P	75.4	Confident	82.1	Confident	37 Å²	37	72 Å²	72	24%	0.24	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27	176.1	-26.5	36.2	0	0	0	113.8	T338 I459 E462 I463	P336-T338 VanDerWaalsContact C-N 3.27Å; P336-T338 PolarHBondContact O-N 3.08Å; P336-I459 HydrophobicContact CG-CG2 4.16Å; P336-E462 VanDerWaalsContact CB-OE2 3.29Å; P336-E462 WeakPolarHBondContact CB-OE2 3.41Å; P336-E462 HydrophobicContact CG-CB 3.8Å; P336-E462 WeakPolarHBondContact CG-OE2 3.32Å; P336-I463 HydrophobicContact CG-CG1 4.4Å
337	S	75.6	Confident	81.7	Confident	110 Å²	110	72 Å²	72	77%	0.769	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.7	176.9	50.6	0	0	0	0	114.4	S335	S335-S337 PolarHBondContact O-N 3.31Å; S335-S337 VanDerWaalsContact O-N 3.12Å; S335-S337 PolarHBondContact OG-OG 3.48Å
338	T	82.6	Confident	81.4	Confident	89 Å²	89	72.4 Å²	72.4	55%	0.546	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-35.4	-178	60.1	0	0	0	0	112.8	S335 P336	S335-T338 PolarHBondContact O-N 3.23Å; S335-T338 PolarHBondContact O-OG1 3.08Å; S335-T338 PolarHBondContact OG-OG1 2.88Å; P336-T338 VanDerWaalsContact C-N 3.27Å; P336-T338 PolarHBondContact O-N 3.08Å
339	H	82.5	Confident	80.9	Confident	81 Å²	81	74.4 Å²	74.4	38%	0.375	40%	0.396	S	S	.	.			trans	-140.9	137.6	-173.6	-67.7	77.9	0	0	0	111.6	R334 S335 W466	R334-H339 HydrophobicContact CG-CB 4.35Å; S335-H339 PolarHBondContact O-N 3.43Å; S335-H339 VanDerWaalsContact O-N 3.1Å; H339-W466 HydrophobicContact CB-CZ2 4.48Å
340	I	79.6	Confident	80.3	Confident	164 Å²	164	73.3 Å²	73.3	84%	0.841	39%	0.39	S	S	*	.			trans	-90	132.9	174.5	-59.8	165.1	0	0	0	108.8	S342	I340-S342 PolarHBondContact O-N 2.92Å
341	M	76.9	Confident	79.6	Confident	32 Å²	32	72.9 Å²	72.9	16%	0.158	39%	0.385	C	S	.	.			trans	-79.4	115.3	178	-168.7	164.8	70.3	0	0	110.8	K346 W466 I469	M341-K346 HydrophobicContact CE-CB 4.42Å; M341-K346 HydrophobicContact CE-CD 3.82Å; M341-K346 HydrophobicContact CE-CG 3.89Å; M341-W466 HydrophobicContact CB-CZ2 3.75Å; M341-W466 HydrophobicContact CG-CH2 4.39Å; M341-W466 HydrophobicContact CG-CZ2 4.01Å; M341-I469 HydrophobicContact SD-CD1 3.69Å
342	S	83.5	Confident	79.2	Confident	62 Å²	62	74.8 Å²	74.8	43%	0.434	40%	0.398	S	S	.	.			trans	-73.2	140.1	175	179.1	0	0	0	0	111.4	I340 T344 V345 K346	I340-S342 PolarHBondContact O-N 2.92Å; S342-T344 PolarHBondContact O-N 3.39Å; S342-V345 PolarHBondContact O-N 3.1Å; S342-V345 VanDerWaalsContact O-N 3.09Å; S342-K346 PolarHBondContact O-N 3.22Å
343	H	78.3	Confident	79	Confident	166 Å²	166	75.5 Å²	75.5	77%	0.769	40%	0.402	S	S	*	.	H	α-helix	trans	-56.5	-32.1	177.7	-72.9	-78.9	0	0	0	113	K346 H347	H343-K346 WeakPolarHBondContact O-CB 3.46Å; H343-K346 PolarHBondContact O-N 2.95Å; H343-H347 PolarHBondContact O-N 3.48Å
344	T	82.2	Confident	78.6	Confident	106 Å²	106	71 Å²	71	65%	0.65	38%	0.378	S	S	*	.	H	α-helix	trans	-66.3	-39.8	178.6	-35	0	0	0	0	112	S342 K346 L348	S342-T344 PolarHBondContact O-N 3.39Å; T344-K346 VanDerWaalsContact C-N 3.35Å; T344-L348 WeakPolarHBondContact O-CB 3.48Å; T344-L348 PolarHBondContact O-N 2.92Å
345	V	81	Confident	78.2	Confident	37 Å²	37	77.6 Å²	77.6	22%	0.224	40%	0.403	C	S	.	.	H	α-helix	trans	-68.5	-39.5	178.4	179	0	0	0	0	110	S342 L348 F349 I469	S342-V345 PolarHBondContact O-N 3.1Å; S342-V345 VanDerWaalsContact O-N 3.09Å; V345-L348 PolarHBondContact O-N 3.2Å; V345-F349 HydrophobicContact CG1-CD2 3.78Å; V345-F349 HydrophobicContact CG1-CE2 4.22Å; V345-F349 PolarHBondContact O-N 3.02Å; V345-I469 HydrophobicContact CG1-CD1 4.22Å
346	K	78.6	Confident	78	Confident	97 Å²	97	85 Å²	85	42%	0.422	43%	0.432	S	S	.	.	H	α-helix	trans	-59	-53.7	175.8	-155.5	-176.2	-176	176.4	0	110.7	M341 S342 H343 T344 L348 L350	M341-K346 HydrophobicContact CE-CB 4.42Å; M341-K346 HydrophobicContact CE-CD 3.82Å; M341-K346 HydrophobicContact CE-CG 3.89Å; S342-K346 PolarHBondContact O-N 3.22Å; H343-K346 WeakPolarHBondContact O-CB 3.46Å; H343-K346 PolarHBondContact O-N 2.95Å; T344-K346 VanDerWaalsContact C-N 3.35Å; K346-L348 PolarHBondContact O-N 2.99Å; K346-L350 HydrophobicContact CG-CD1 3.58Å; K346-L350 WeakPolarHBondContact O-CB 3.5Å; K346-L350 PolarHBondContact O-N 2.97Å
347	H	79.5	Confident	77.6	Confident	95 Å²	95	85.5 Å²	85.5	44%	0.44	43%	0.432	S	S	.	.	I	π-helix	trans	-64.9	-40.3	-179.6	-174.8	-89.9	0	0	0	112.6	H343 E351 M352	H343-H347 PolarHBondContact O-N 3.48Å; H347-E351 IonicContact CD2-OE1 2.67Å; H347-E351 IonicContact CD2-OE2 3.9Å; H347-E351 PolarHBondContact CD2-OE2 3.23Å; H347-E351 IonicContact NE2-OE2 3.35Å; H347-E351 PolarHBondContact NE2-OE2 2.83Å; H347-E351 WeakPolarHBondContact O-CB 3.3Å; H347-E351 PolarHBondContact O-N 2.84Å; H347-M352 PolarHBondContact O-N 2.98Å; H347-M352 VanDerWaalsContact O-N 3.12Å
348	L	80.5	Confident	77	Confident	74 Å²	74	83.7 Å²	83.7	39%	0.387	43%	0.431	S	S	.	.	I	π-helix	trans	-63.8	-53.9	179.2	-167.2	91.2	0	0	0	112	T344 V345 K346 M352 V353	T344-L348 WeakPolarHBondContact O-CB 3.48Å; T344-L348 PolarHBondContact O-N 2.92Å; V345-L348 PolarHBondContact O-N 3.2Å; K346-L348 PolarHBondContact O-N 2.99Å; L348-M352 HydrophobicContact CD1-CE 4.44Å; L348-M352 HydrophobicContact CD1-SD 4.11Å; L348-M352 WeakPolarHBondContact O-CB 3.39Å; L348-M352 PolarHBondContact O-N 3.39Å; L348-V353 WeakPolarHBondContact O-CG2 3.33Å; L348-V353 PolarHBondContact O-N 3.44Å
349	F	76.9	Confident	76	Confident	41 Å²	41	82.6 Å²	82.6	18%	0.18	42%	0.421	C	S	.	.	I	π-helix	trans	-88.9	-25.8	-170.6	-73.2	-72.6	0	0	0	114.6	V345 V353 P354 I469 I473	V345-F349 HydrophobicContact CG1-CD2 3.78Å; V345-F349 HydrophobicContact CG1-CE2 4.22Å; V345-F349 PolarHBondContact O-N 3.02Å; F349-V353 HydrophobicContact CD1-CG2 4.18Å; F349-P354 WeakPolarHBondContact O-CD 3.14Å; F349-I469 HydrophobicContact CB-CB 4.45Å; F349-I469 HydrophobicContact CB-CG1 4.04Å; F349-I469 HydrophobicContact CB-CG2 4.05Å; F349-I469 HydrophobicContact CD2-CG2 4Å; F349-I469 HydrophobicContact CG-CG2 3.96Å; F349-I473 HydrophobicContact CD1-CG1 3.85Å; F349-I473 HydrophobicContact CE1-CD1 4.1Å; F349-I473 HydrophobicContact CE1-CG1 3.37Å; F349-I473 HydrophobicContact CZ-CD1 4.06Å; F349-I473 HydrophobicContact CZ-CG1 3.82Å
350	L	72.9	Confident	74.5	Confident	18 Å²	18	83 Å²	83	9%	0.094	43%	0.432	C	S	.	.	I	π-helix	trans	-98.2	-23.1	-178.7	-62.2	169.3	0	0	0	113.5	K346 P354 L468 I469	K346-L350 HydrophobicContact CG-CD1 3.58Å; K346-L350 WeakPolarHBondContact O-CB 3.5Å; K346-L350 PolarHBondContact O-N 2.97Å; L350-P354 WeakPolarHBondContact O-CG 3.5Å; L350-L468 HydrophobicContact CD2-CB 4.27Å; L350-L468 HydrophobicContact CD2-CD2 3.37Å; L350-L468 HydrophobicContact CD2-CG 3.79Å; L350-I469 HydrophobicContact CD2-CG1 4.3Å; L350-I469 HydrophobicContact CG-CG1 4.22Å
351	E	74	Confident	72.9	Confident	75 Å²	75	80 Å²	80	35%	0.35	42%	0.424	S	S	.	.	I	π-helix	trans	-112.4	-46.6	-179.6	-65.8	179.5	-140.9	0	0	113.4	H347 R355	H347-E351 IonicContact CD2-OE1 2.67Å; H347-E351 IonicContact CD2-OE2 3.9Å; H347-E351 PolarHBondContact CD2-OE2 3.23Å; H347-E351 IonicContact NE2-OE2 3.35Å; H347-E351 PolarHBondContact NE2-OE2 2.83Å; H347-E351 WeakPolarHBondContact O-CB 3.3Å; H347-E351 PolarHBondContact O-N 2.84Å; E351-R355 WeakPolarHBondContact O-CD 3.47Å; E351-R355 VanDerWaalsContact O-CG 3.24Å; E351-R355 WeakPolarHBondContact O-CG 3.3Å; E351-R355 PolarHBondContact O-NE 2.87Å; E351-R355 VanDerWaalsContact O-NE 3.13Å; E351-R355 IonicContact OE2-NH2 3.41Å; E351-R355 PolarHBondContact OE2-NH2 2.93Å
352	M	75.3	Confident	71.6	Confident	102 Å²	102	83.9 Å²	83.9	50%	0.502	44%	0.444	S	S	.	.	I	π-helix	trans	-80.4	-50.5	-174.1	-173.9	-171.5	-66.3	0	0	112.8	H347 L348 R355 F356	H347-M352 PolarHBondContact O-N 2.98Å; H347-M352 VanDerWaalsContact O-N 3.12Å; L348-M352 HydrophobicContact CD1-CE 4.44Å; L348-M352 HydrophobicContact CD1-SD 4.11Å; L348-M352 WeakPolarHBondContact O-CB 3.39Å; L348-M352 PolarHBondContact O-N 3.39Å; M352-R355 PolarHBondContact O-N 3.29Å; M352-F356 PolarHBondContact O-N 2.77Å
353	V	77.8	Confident	69.8	Low	23 Å²	23	84.1 Å²	84.1	14%	0.139	44%	0.443	C	S	.	.	H	α-helix	trans	-61.8	-43.2	-177.3	168	0	0	0	0	113.4	L348 F349 R355 F356 L357 M472 V476	L348-V353 WeakPolarHBondContact O-CG2 3.33Å; L348-V353 PolarHBondContact O-N 3.44Å; F349-V353 HydrophobicContact CD1-CG2 4.18Å; V353-R355 PolarHBondContact O-N 2.92Å; V353-F356 PolarHBondContact O-N 2.81Å; V353-L357 HydrophobicContact CG1-CD1 3.6Å; V353-L357 PolarHBondContact O-N 2.66Å; V353-M472 HydrophobicContact CG1-CB 4.27Å; V353-V476 HydrophobicContact CG1-CG2 3.53Å
354	P	74.4	Confident	67.9	Low	7 Å²	7	82.1 Å²	82.1	5%	0.045	44%	0.438	C	S	.	.	H	α-helix	trans	-66.3	-35.1	178.8	-23.6	37	0	0	0	113.1	F349 L350 F356 L357 G358 M359 M472	F349-P354 WeakPolarHBondContact O-CD 3.14Å; L350-P354 WeakPolarHBondContact O-CG 3.5Å; P354-F356 VanDerWaalsContact C-N 3.33Å; P354-L357 PolarHBondContact O-N 2.88Å; P354-G358 PolarHBondContact O-N 2.61Å; P354-M359 PolarHBondContact O-N 2.72Å; P354-M472 HydrophobicContact CG-CE 4.15Å; P354-M472 HydrophobicContact CG-SD 4.08Å
355	R	75.1	Confident	65.8	Low	183 Å²	183	82.5 Å²	82.5	69%	0.691	44%	0.436	S	S	*	.	H	α-helix	trans	-62.9	-39.3	173.1	-71.9	-179.9	-144.5	170.1	7.6	111.6	E351 M352 V353	E351-R355 WeakPolarHBondContact O-CD 3.47Å; E351-R355 VanDerWaalsContact O-CG 3.24Å; E351-R355 WeakPolarHBondContact O-CG 3.3Å; E351-R355 PolarHBondContact O-NE 2.87Å; E351-R355 VanDerWaalsContact O-NE 3.13Å; E351-R355 IonicContact OE2-NH2 3.41Å; E351-R355 PolarHBondContact OE2-NH2 2.93Å; M352-R355 PolarHBondContact O-N 3.29Å; V353-R355 PolarHBondContact O-N 2.92Å
356	F	75.3	Confident	63.5	Low	187 Å²	187	83.4 Å²	83.4	82%	0.82	44%	0.444	S	S	*	.	H	α-helix	trans	-70.4	-35.9	177.1	-170.1	-97.7	0	0	0	112.7	M352 V353 P354 G358	M352-F356 PolarHBondContact O-N 2.77Å; V353-F356 PolarHBondContact O-N 2.81Å; P354-F356 VanDerWaalsContact C-N 3.33Å; F356-G358 VanDerWaalsContact C-N 3.32Å
357	L	67.4	Low	61.5	Low	46 Å²	46	87 Å²	87	24%	0.241	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.4	178.2	-77	158.1	0	0	0	114.1	V353 P354 M359 K475 V476	V353-L357 HydrophobicContact CG1-CD1 3.6Å; V353-L357 PolarHBondContact O-N 2.66Å; P354-L357 PolarHBondContact O-N 2.88Å; L357-M359 HydrophobicContact CB-CE 3.86Å; L357-M359 HydrophobicContact CB-CG 4.49Å; L357-M359 HydrophobicContact CD1-CE 3.72Å; L357-M359 HydrophobicContact CG-CE 4.35Å; L357-M359 PolarHBondContact O-N 2.76Å; L357-K475 HydrophobicContact CD1-CB 4.31Å; L357-V476 HydrophobicContact CD1-CG2 3.77Å
358	G	62.6	Low	59.3	Low	72 Å²	72	86.8 Å²	86.8	74%	0.742	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	19.5	-178	0	0	0	0	0	114.4	P354 F356	P354-G358 PolarHBondContact O-N 2.61Å; F356-G358 VanDerWaalsContact C-N 3.32Å
359	M	61.3	Low	56.8	Low	67 Å²	67	88.2 Å²	88.2	33%	0.33	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-84.2	140.7	176.8	-74.4	-168.5	-82.7	0	0	110.3	P354 L357 M472 K475	P354-M359 PolarHBondContact O-N 2.72Å; L357-M359 HydrophobicContact CB-CE 3.86Å; L357-M359 HydrophobicContact CB-CG 4.49Å; L357-M359 HydrophobicContact CD1-CE 3.72Å; L357-M359 HydrophobicContact CG-CE 4.35Å; L357-M359 PolarHBondContact O-N 2.76Å; M359-M472 HydrophobicContact CE-CE 4.01Å; M359-M472 HydrophobicContact CE-SD 3.48Å; M359-M472 WeakPolarHBondContact CE-SD 3.37Å; M359-M472 HydrophobicContact SD-CE 4.43Å; M359-K475 HydrophobicContact CE-CB 4.28Å; M359-K475 HydrophobicContact CE-CG 4.19Å
360	S	51.8	Low	54.6	Low	88 Å²	88	89.3 Å²	89.3	62%	0.615	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-57.1	136.2	173.3	51.2	0	0	0	0	110.2	L362	S360-L362 PolarHBondContact O-N 2.86Å; S360-L362 VanDerWaalsContact O-N 3.14Å
361	P	46.3	Very low	52.6	Low	103 Å²	103	97.4 Å²	97.4	67%	0.669	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-56.4	122.7	176.7	-11.6	21.6	0	0	0	109	V363	P361-V363 VanDerWaalsContact C-N 3.25Å
362	L	49	Very low	50.8	Low	112 Å²	112	101.5 Å²	101.5	59%	0.586	56%	0.564	S	S	*	*	S	Bend	trans	-84.8	-4.5	177.8	-73.8	165.9	0	0	0	112.4	S360 L468 M472	S360-L362 PolarHBondContact O-N 2.86Å; S360-L362 VanDerWaalsContact O-N 3.14Å; L362-L468 HydrophobicContact CB-CD1 4.48Å; L362-L468 HydrophobicContact CB-CD2 3.97Å; L362-L468 HydrophobicContact CD1-CD1 3.46Å; L362-L468 VanDerWaalsContact CD1-CD1 3.46Å; L362-L468 HydrophobicContact CD1-CD2 4.41Å; L362-M472 HydrophobicContact CD1-CE 3.92Å
363	V	45	Very low	48.7	Very low	67 Å²	67	102.7 Å²	102.7	41%	0.406	57%	0.573	S	S	.	*	S	Bend	trans	-98	103.3	168.8	-175.3	0	0	0	0	106.5	P361 D365	P361-V363 VanDerWaalsContact C-N 3.25Å; V363-D365 PolarHBondContact O-N 2.86Å
364	D	39.6	Very low	46.7	Very low	125 Å²	125	105.5 Å²	105.5	67%	0.668	61%	0.606	S	S	*	*			trans	-66.4	90	164.3	-124.1	-29.3	0	0	0	106	S366	D364-S366 WeakPolarHBondContact CB-OG 3.36Å; D364-S366 PolarHBondContact O-N 2.04Å; D364-S366 PolarHBondContact OD1-OG 3.3Å
365	D	37.2	Very low	44.6	Very low	114 Å²	114	113.2 Å²	113.2	61%	0.61	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	6	169.1	-81	-27.5	0	0	0	112.3	V363 E367 A368 T369	V363-D365 PolarHBondContact O-N 2.86Å; D365-E367 PolarHBondContact O-N 2.8Å; D365-A368 PolarHBondContact O-N 3.32Å; D365-T369 PolarHBondContact O-OG1 3.11Å
366	S	33	Very low	42.5	Very low	55 Å²	55	114.8 Å²	114.8	39%	0.385	66%	0.658	S	S	.	*	H	α-helix	trans	-68.5	-11.5	-178.9	49.1	0	0	0	0	113.9	D364 A370	D364-S366 WeakPolarHBondContact CB-OG 3.36Å; D364-S366 PolarHBondContact O-N 2.04Å; D364-S366 PolarHBondContact OD1-OG 3.3Å; S366-A370 WeakPolarHBondContact O-CB 3.3Å; S366-A370 PolarHBondContact O-N 3.4Å
367	E	36.1	Very low	40.2	Very low	172 Å²	172	115.2 Å²	115.2	80%	0.804	66%	0.663	S	S	*	*	H	α-helix	trans	-80.9	-29.4	172.2	-75.7	-171.5	168.5	0	0	113.4	D365	D365-E367 PolarHBondContact O-N 2.8Å
368	A	33	Very low	38.5	Very low	91 Å²	91	124.7 Å²	124.7	75%	0.752	70%	0.695	S	S	*	*	H	α-helix	trans	-81.2	-24.2	-178.3	0	0	0	0	0	113.6	D365	D365-A368 PolarHBondContact O-N 3.32Å
369	T	29.3	Very low	37.2	Very low	104 Å²	104	133.2 Å²	133.2	64%	0.638	71%	0.705	S	S	*	*	H	α-helix	trans	-100.7	-12.8	179.2	7.2	0	0	0	0	113.9	D365	D365-T369 PolarHBondContact O-OG1 3.11Å
370	A	29.6	Very low	35.9	Very low	64 Å²	64	139.9 Å²	139.9	53%	0.529	73%	0.726	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.8	-11.9	-178.8	0	0	0	0	0	114.8	S366 M372	S366-A370 WeakPolarHBondContact O-CB 3.3Å; S366-A370 PolarHBondContact O-N 3.4Å; A370-M372 PolarHBondContact O-N 3.21Å
371	E	32.1	Very low	35	Very low	188 Å²	188	140.8 Å²	140.8	88%	0.879	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-16.8	172.7	-73.8	-164.8	153.4	0	0	113
372	M	36.1	Very low	34.8	Very low	161 Å²	161	140.6 Å²	140.6	79%	0.793	73%	0.734	S	S	*	*	S	Bend	trans	-92.7	-23.9	-177	-162	158.7	81.6	0	0	114.6	A370	A370-M372 PolarHBondContact O-N 3.21Å
373	N	30.5	Very low	34.4	Very low	128 Å²	128	142.5 Å²	142.5	68%	0.684	74%	0.738	S	S	*	*			trans	-133.8	97.3	-176.4	-75	-33.2	0	0	0	111.5	L375	N373-L375 VanDerWaalsContact C-N 3.34Å; N373-L375 PolarHBondContact O-N 2.89Å
374	G	35.1	Very low	34.5	Very low	82 Å²	82	141.7 Å²	141.7	85%	0.845	74%	0.743	S	S	*	*			trans	-71.9	71.1	-178.1	0	0	0	0	0	115.3
375	L	31.1	Very low	34.9	Very low	169 Å²	169	140.7 Å²	140.7	89%	0.885	74%	0.737	S	S	*	*			trans	-135.9	109.4	167.3	-74	169.6	0	0	0	110.9	N373	N373-L375 VanDerWaalsContact C-N 3.34Å; N373-L375 PolarHBondContact O-N 2.89Å
376	K	30.8	Very low	35.2	Very low	215 Å²	215	141.2 Å²	141.2	94%	0.935	74%	0.737	S	S	*	*			trans	-83.2	116.4	174.5	-78.8	177.4	175.9	172.9	0	110
377	E	28.1	Very low	35.6	Very low	197 Å²	197	144.6 Å²	144.6	92%	0.921	75%	0.747	S	S	*	*			trans	-113.9	120.7	161.2	-128	174.6	-177.4	0	0	110.2
378	R	31.9	Very low	36.1	Very low	244 Å²	244	143.7 Å²	143.7	92%	0.921	74%	0.736	S	S	*	*			trans	-102.8	99.2	-167.5	-172.7	-177.6	-174	178.9	1.7	109.8
379	R	33.3	Very low	36.7	Very low	252 Å²	252	141.7 Å²	141.7	95%	0.951	72%	0.72	S	S	*	*			trans	-136.7	97.2	156.5	-103.2	-177.9	173.6	172.5	-1.5	109.3
380	R	35.9	Very low	37.5	Very low	206 Å²	206	143.3 Å²	143.3	78%	0.777	72%	0.72	S	S	*	*			trans	-110.5	128.9	173.4	-96.8	-176.9	173.8	178.9	-1	109.1
381	S	33	Very low	38.3	Very low	108 Å²	108	145.5 Å²	145.5	76%	0.755	72%	0.719	S	S	*	*			trans	-66.2	138.8	167.5	53.1	0	0	0	0	110	F383	S381-F383 PolarHBondContact O-N 3.13Å
382	S	40.5	Very low	39	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	71%	0.706	S	S	*	*	S	Bend	trans	-79.9	-8.5	-164.5	44.5	0	0	0	0	115.5	M386	S382-M386 PolarHBondContact O-N 3.07Å
383	F	42.2	Very low	39.5	Very low	152 Å²	152	140.7 Å²	140.7	67%	0.667	70%	0.696	S	S	*	*	H	α-helix	trans	-78.9	-43.6	-167.9	-166.5	-103.2	0	0	0	113.9	S381 L385 M386 Q387	S381-F383 PolarHBondContact O-N 3.13Å; F383-L385 VanDerWaalsContact C-N 3.28Å; F383-L385 PolarHBondContact O-N 3.45Å; F383-M386 PolarHBondContact O-N 3.35Å; F383-Q387 PolarHBondContact O-N 3.29Å
384	G	45.2	Very low	40.3	Very low	50 Å²	50	142 Å²	142	52%	0.515	70%	0.702	S	S	.	*	H	α-helix	trans	-68.8	-25.6	179.6	0	0	0	0	0	113.9	R388	G384-R388 PolarHBondContact O-N 3.4Å
385	L	48.2	Very low	40.8	Very low	104 Å²	104	145.5 Å²	145.5	55%	0.545	69%	0.694	S	S	.	*	H	α-helix	trans	-75.3	-33.3	175.9	-115.9	152.4	0	0	0	111.9	F383 A389	F383-L385 VanDerWaalsContact C-N 3.28Å; F383-L385 PolarHBondContact O-N 3.45Å; L385-A389 WeakPolarHBondContact O-CB 3.31Å; L385-A389 PolarHBondContact O-N 2.77Å
386	M	44.2	Very low	41.4	Very low	126 Å²	126	140 Å²	140	62%	0.621	66%	0.664	S	S	*	*	H	α-helix	trans	-68.5	-41.9	176.1	-116.5	167.7	75.1	0	0	111.8	S382 F383 A389 E390	S382-M386 PolarHBondContact O-N 3.07Å; F383-M386 PolarHBondContact O-N 3.35Å; M386-A389 PolarHBondContact O-N 2.94Å; M386-E390 PolarHBondContact O-N 3.27Å
387	Q	42.6	Very low	42.2	Very low	125 Å²	125	133.2 Å²	133.2	58%	0.584	64%	0.642	S	S	*	*	H	α-helix	trans	-70.4	-37.7	178.6	-163.7	167.2	7.8	0	0	112.3	F383 A389 E391	F383-Q387 PolarHBondContact O-N 3.29Å; Q387-A389 VanDerWaalsContact C-N 3.34Å; Q387-E391 PolarHBondContact O-N 3.22Å
388	R	46.4	Very low	43.1	Very low	153 Å²	153	133.9 Å²	133.9	58%	0.577	64%	0.636	S	S	*	*	H	α-helix	trans	-65.6	-36.2	169.8	-102.5	-174.1	170.3	138.3	-0.7	112.2	G384 Y392	G384-R388 PolarHBondContact O-N 3.4Å; R388-Y392 WeakPolarHBondContact O-CB 3.44Å; R388-Y392 VanDerWaalsContact O-CD2 3.32Å; R388-Y392 WeakPolarHBondContact O-CD2 3.49Å; R388-Y392 PolarHBondContact O-N 2.99Å
389	A	44.9	Very low	43.9	Very low	49 Å²	49	125.7 Å²	125.7	41%	0.405	62%	0.616	S	S	.	*	H	α-helix	trans	-68.2	-40.5	177.7	0	0	0	0	0	112.4	L385 M386 Q387 Y392 V393	L385-A389 WeakPolarHBondContact O-CB 3.31Å; L385-A389 PolarHBondContact O-N 2.77Å; M386-A389 PolarHBondContact O-N 2.94Å; Q387-A389 VanDerWaalsContact C-N 3.34Å; A389-Y392 PolarHBondContact O-N 2.81Å; A389-V393 WeakPolarHBondContact O-CB 3.37Å; A389-V393 WeakPolarHBondContact O-CG2 3.46Å; A389-V393 PolarHBondContact O-N 2.89Å
390	E	46	Very low	44.8	Very low	139 Å²	139	117 Å²	117	65%	0.65	59%	0.586	S	S	*	*	H	α-helix	trans	-64.7	-39.5	175	-81.9	-170.7	148.5	0	0	112.5	M386 V393 L394	M386-E390 PolarHBondContact O-N 3.27Å; E390-V393 PolarHBondContact O-N 2.93Å; E390-L394 PolarHBondContact O-N 2.84Å
391	E	47.2	Very low	45.7	Very low	110 Å²	110	111.4 Å²	111.4	51%	0.514	57%	0.57	S	S	.	*	H	α-helix	trans	-72.4	-33.3	178.5	-146.4	-172.4	159.5	0	0	112.6	Q387 K395	Q387-E391 PolarHBondContact O-N 3.22Å; E391-K395 PolarHBondContact O-N 3.43Å; E391-K395 IonicContact OE1-NZ 3.35Å; E391-K395 PolarHBondContact OE1-NZ 2.89Å
392	Y	46	Very low	46.7	Very low	152 Å²	152	112.4 Å²	112.4	60%	0.596	56%	0.564	S	S	*	*	H	α-helix	trans	-66.6	-40.5	171.9	-100.7	-96.1	0	0	0	112	R388 A389 L394 K395 Q396	R388-Y392 WeakPolarHBondContact O-CB 3.44Å; R388-Y392 VanDerWaalsContact O-CD2 3.32Å; R388-Y392 WeakPolarHBondContact O-CD2 3.49Å; R388-Y392 PolarHBondContact O-N 2.99Å; A389-Y392 PolarHBondContact O-N 2.81Å; Y392-L394 VanDerWaalsContact C-N 3.34Å; Y392-L394 PolarHBondContact O-N 3.13Å; Y392-K395 PolarHBondContact O-N 2.87Å; Y392-Q396 WeakPolarHBondContact O-CB 3.38Å; Y392-Q396 PolarHBondContact O-N 2.83Å
393	V	46.7	Very low	47.3	Very low	95 Å²	95	114.4 Å²	114.4	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-68	-31.7	-179.2	169.5	0	0	0	0	112.5	A389 E390	A389-V393 WeakPolarHBondContact O-CB 3.37Å; A389-V393 WeakPolarHBondContact O-CG2 3.46Å; A389-V393 PolarHBondContact O-N 2.89Å; E390-V393 PolarHBondContact O-N 2.93Å
394	L	46.5	Very low	47.8	Very low	156 Å²	156	111 Å²	111	82%	0.817	55%	0.55	S	S	*	.	H	α-helix	trans	-77.9	-26.1	178.2	-93.1	151.4	0	0	0	114.1	E390 Y392	E390-L394 PolarHBondContact O-N 2.84Å; Y392-L394 VanDerWaalsContact C-N 3.34Å; Y392-L394 PolarHBondContact O-N 3.13Å
395	K	46.7	Very low	48.1	Very low	156 Å²	156	115.6 Å²	115.6	68%	0.678	56%	0.555	S	S	*	*	H	α-helix	trans	-95.4	-10	-178.8	-78.1	171.7	177	161.3	0	113.8	E391 Y392	E391-K395 PolarHBondContact O-N 3.43Å; E391-K395 IonicContact OE1-NZ 3.35Å; E391-K395 PolarHBondContact OE1-NZ 2.89Å; Y392-K395 PolarHBondContact O-N 2.87Å
396	Q	42.6	Very low	48.2	Very low	53 Å²	53	115.6 Å²	115.6	25%	0.248	55%	0.553	C	S	.	*	S	Bend	trans	-84.3	122.6	-172.8	-142.4	172.6	9.8	0	0	112.6	Y392 E400	Y392-Q396 WeakPolarHBondContact O-CB 3.38Å; Y392-Q396 PolarHBondContact O-N 2.83Å; Q396-E400 HydrophobicContact CG-CB 3.94Å; Q396-E400 WeakPolarHBondContact CG-OE2 3.42Å; Q396-E400 PolarHBondContact NE2-OE2 2.81Å
397	P	48.8	Very low	48.5	Very low	73 Å²	73	118.8 Å²	118.8	47%	0.474	56%	0.558	S	S	.	*			trans	-64.7	140.7	175.2	24.9	-30.7	0	0	0	110.7	S399 E400	P397-S399 PolarHBondContact O-N 3.25Å; P397-E400 HydrophobicContact CG-CB 4.45Å; P397-E400 PolarHBondContact O-N 2.9Å
398	R	47	Very low	49	Very low	210 Å²	210	120.9 Å²	120.9	79%	0.792	57%	0.567	S	S	*	*	H	α-helix	trans	-55.8	-21.3	-174.1	-161.1	177.6	-178.2	135.6	-1.3	114.2
399	S	48.2	Very low	49.3	Very low	73 Å²	73	123.6 Å²	123.6	51%	0.51	58%	0.578	S	S	.	*	H	α-helix	trans	-69.3	-38.7	173.5	48.3	0	0	0	0	113	P397 M402 F403	P397-S399 PolarHBondContact O-N 3.25Å; S399-M402 PolarHBondContact O-N 3.39Å; S399-F403 WeakPolarHBondContact O-CD2 3.46Å; S399-F403 PolarHBondContact O-N 2.91Å; S399-F403 VanDerWaalsContact O-N 3.17Å
400	E	52.5	Low	49.2	Very low	68 Å²	68	128.1 Å²	128.1	32%	0.318	59%	0.59	S	S	.	*	H	α-helix	trans	-66.6	-39.3	-179.6	-120	-172.1	172.4	0	0	111.3	Q396 P397 M402 F403 D404 K453	Q396-E400 HydrophobicContact CG-CB 3.94Å; Q396-E400 WeakPolarHBondContact CG-OE2 3.42Å; Q396-E400 PolarHBondContact NE2-OE2 2.81Å; P397-E400 HydrophobicContact CG-CB 4.45Å; P397-E400 PolarHBondContact O-N 2.9Å; E400-M402 VanDerWaalsContact C-N 3.29Å; E400-M402 PolarHBondContact O-N 2.93Å; E400-F403 PolarHBondContact O-N 2.85Å; E400-D404 PolarHBondContact O-N 2.89Å; E400-D404 VanDerWaalsContact O-N 3.08Å; E400-K453 IonicContact OE1-NZ 3.22Å; E400-K453 PolarHBondContact OE1-NZ 2.91Å
401	M	55	Low	49.4	Very low	90 Å²	90	125 Å²	125	44%	0.443	60%	0.596	S	S	.	*	H	α-helix	trans	-63.8	-30.4	174.7	-79	-168.4	-81.3	0	0	113.6	K405	M401-K405 PolarHBondContact O-N 3.08Å
402	M	52.9	Low	49.2	Very low	128 Å²	128	127.8 Å²	127.8	63%	0.631	61%	0.613	S	S	*	*	H	α-helix	trans	-74.7	-36.7	175.2	-78	-119	-163.7	0	0	111.8	S399 E400 K405 Q406	S399-M402 PolarHBondContact O-N 3.39Å; E400-M402 VanDerWaalsContact C-N 3.29Å; E400-M402 PolarHBondContact O-N 2.93Å; M402-K405 PolarHBondContact O-N 3.44Å; M402-Q406 WeakPolarHBondContact O-CB 3.41Å; M402-Q406 PolarHBondContact O-N 2.92Å
403	F	53.3	Low	49	Very low	141 Å²	141	125 Å²	125	62%	0.618	61%	0.612	S	S	*	*	H	α-helix	trans	-66.6	-40.4	176.5	-89.8	-75.3	0	0	0	112.5	S399 E400 Q406 R407	S399-F403 WeakPolarHBondContact O-CD2 3.46Å; S399-F403 PolarHBondContact O-N 2.91Å; S399-F403 VanDerWaalsContact O-N 3.17Å; E400-F403 PolarHBondContact O-N 2.85Å; F403-Q406 PolarHBondContact O-N 2.96Å; F403-R407 WeakPolarHBondContact O-CB 3.47Å; F403-R407 PolarHBondContact O-N 2.83Å
404	D	53.1	Low	48.7	Very low	80 Å²	80	133 Å²	133	43%	0.428	63%	0.632	S	S	.	*	H	α-helix	trans	-65.8	-38.3	175.4	-87.3	-28.2	0	0	0	112.2	E400 Q406 R407 E408	E400-D404 PolarHBondContact O-N 2.89Å; E400-D404 VanDerWaalsContact O-N 3.08Å; D404-Q406 VanDerWaalsContact C-N 3.35Å; D404-Q406 PolarHBondContact O-N 2.83Å; D404-R407 WeakPolarHBondContact O-CB 3.08Å; D404-R407 PolarHBondContact O-N 3.45Å; D404-R407 IonicContact OD1-NH1 3.44Å; D404-E408 PolarHBondContact O-N 2.91Å; D404-E408 VanDerWaalsContact O-N 3.17Å
405	K	51.7	Low	48.3	Very low	146 Å²	146	130.6 Å²	130.6	64%	0.635	63%	0.628	S	S	*	*	H	α-helix	trans	-68.5	-30.1	173.3	-110.8	179	177.9	173.5	0	113.6	M401 M402 R409	M401-K405 PolarHBondContact O-N 3.08Å; M402-K405 PolarHBondContact O-N 3.44Å; K405-R409 PolarHBondContact O-N 3.16Å
406	Q	49.2	Very low	48.2	Very low	105 Å²	105	129.1 Å²	129.1	49%	0.491	63%	0.626	S	S	.	*	H	α-helix	trans	-75.4	-35.2	173.8	-85.5	178.8	-30.1	0	0	112.1	M402 F403 D404 E408 R409 H410	M402-Q406 WeakPolarHBondContact O-CB 3.41Å; M402-Q406 PolarHBondContact O-N 2.92Å; F403-Q406 PolarHBondContact O-N 2.96Å; D404-Q406 VanDerWaalsContact C-N 3.35Å; D404-Q406 PolarHBondContact O-N 2.83Å; Q406-E408 VanDerWaalsContact C-N 3.29Å; Q406-E408 PolarHBondContact O-N 2.77Å; Q406-R409 PolarHBondContact O-N 2.93Å; Q406-R409 VanDerWaalsContact O-N 3.12Å; Q406-H410 PolarHBondContact O-N 2.83Å
407	R	52.2	Low	48.2	Very low	192 Å²	192	132.1 Å²	132.1	73%	0.725	65%	0.648	S	S	*	*	H	α-helix	trans	-62.5	-34.1	173.3	177.2	-178.9	161.9	-166.8	-2.1	112.4	F403 D404	F403-R407 WeakPolarHBondContact O-CB 3.47Å; F403-R407 PolarHBondContact O-N 2.83Å; D404-R407 WeakPolarHBondContact O-CB 3.08Å; D404-R407 PolarHBondContact O-N 3.45Å; D404-R407 IonicContact OD1-NH1 3.44Å
408	E	52.1	Low	47.6	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	67%	0.666	S	S	*	*	H	α-helix	trans	-73.2	-28.3	172	-76.5	-175.1	157.2	0	0	113.5	D404 Q406	D404-E408 PolarHBondContact O-N 2.91Å; D404-E408 VanDerWaalsContact O-N 3.17Å; Q406-E408 VanDerWaalsContact C-N 3.29Å; Q406-E408 PolarHBondContact O-N 2.77Å
409	R	51.9	Low	47.3	Very low	211 Å²	211	134.1 Å²	134.1	80%	0.796	67%	0.67	S	S	*	*	H	α-helix	trans	-84.8	-34.9	179.1	-79.1	-173.1	-171.5	173.7	2.4	114.1	K405 Q406 G411	K405-R409 PolarHBondContact O-N 3.16Å; Q406-R409 PolarHBondContact O-N 2.93Å; Q406-R409 VanDerWaalsContact O-N 3.12Å; R409-G411 PolarHBondContact O-N 3.25Å
410	H	43.6	Very low	47.1	Very low	144 Å²	144	134.8 Å²	134.8	67%	0.667	67%	0.667	S	S	*	*	S	Bend	trans	-97.5	84.2	174.6	-71.7	-71.8	0	0	0	109.2	Q406 L412	Q406-H410 PolarHBondContact O-N 2.83Å; H410-L412 PolarHBondContact O-N 2.74Å
411	G	50.1	Low	46.6	Very low	74 Å²	74	138 Å²	138	76%	0.763	69%	0.686	S	S	*	*			trans	-63.9	80.2	173.4	0	0	0	0	0	112.1	R409 T413	R409-G411 PolarHBondContact O-N 3.25Å; G411-T413 VanDerWaalsContact C-N 3.31Å; G411-T413 PolarHBondContact O-N 2.71Å
412	L	43	Very low	46.3	Very low	167 Å²	167	139.7 Å²	139.7	87%	0.874	70%	0.701	S	S	*	*			trans	-78.4	84.5	173.4	-148.8	82.4	0	0	0	109.5	H410	H410-L412 PolarHBondContact O-N 2.74Å
413	T	42.4	Very low	46.1	Very low	94 Å²	94	138 Å²	138	58%	0.577	70%	0.702	S	S	*	*			trans	36.1	83.4	147.8	-23.8	0	0	0	0	118	G411 S415	G411-T413 VanDerWaalsContact C-N 3.31Å; G411-T413 PolarHBondContact O-N 2.71Å; T413-S415 PolarHBondContact O-N 3.29Å
414	R	39.8	Very low	45.9	Very low	264 Å²	264	133.5 Å²	133.5	100%	0.996	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	37.9	166.2	-161.4	-175.1	171.4	174.2	-2.7	113.3
415	S	37.3	Very low	46	Very low	104 Å²	104	133 Å²	133	73%	0.727	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	-1.7	-172.9	-169.4	0	0	0	0	115.9	T413	T413-S415 PolarHBondContact O-N 3.29Å
416	I	45.3	Very low	46.1	Very low	126 Å²	126	129 Å²	129	65%	0.646	68%	0.682	S	S	*	*	S	Bend	trans	-111.4	-7.6	-173.1	-62.1	178.7	0	0	0	114
417	V	42.5	Very low	46.3	Very low	115 Å²	115	129.2 Å²	129.2	70%	0.697	69%	0.687	S	S	*	*			trans	-117.8	50.1	-169.2	-162.8	0	0	0	0	113.1
418	N	37.1	Very low	46.5	Very low	161 Å²	161	124.6 Å²	124.6	86%	0.861	68%	0.676	S	S	*	*	S	Bend	trans	-119.3	3.7	169.7	-84.6	2.1	0	0	0	114.2
419	N	40.2	Very low	46.5	Very low	164 Å²	164	122.5 Å²	122.5	88%	0.877	66%	0.662	S	S	*	*	S	Bend	trans	-143.3	56.6	177.1	-85.2	-29.5	0	0	0	112.1
420	I	43.6	Very low	46.6	Very low	87 Å²	87	120.2 Å²	120.2	45%	0.446	66%	0.657	S	S	.	*			trans	-125.7	113.9	173.2	-54.4	179.7	0	0	0	108.8	S424 T425	I420-S424 VanDerWaalsContact CG2-OG 3.29Å; I420-S424 WeakPolarHBondContact CG2-OG 3.45Å; I420-T425 HydrophobicContact CG2-CG2 3.92Å
421	D	42.8	Very low	47.1	Very low	135 Å²	135	117 Å²	117	72%	0.722	65%	0.651	S	S	*	*			trans	-65.7	140.8	177	-111.3	-26.9	0	0	0	111.5	S423 S424	D421-S423 PolarHBondContact O-N 3.03Å; D421-S424 PolarHBondContact O-N 3.41Å; D421-S424 PolarHBondContact O-OG 3.18Å
422	V	49.1	Very low	47.3	Very low	126 Å²	126	117.5 Å²	117.5	76%	0.764	64%	0.636	S	S	*	*	H	α-helix	trans	-62	-15.9	-176.3	178.5	0	0	0	0	112.9	T425	V422-T425 PolarHBondContact O-OG1 3.21Å
423	S	48	Very low	47.8	Very low	92 Å²	92	111.2 Å²	111.2	64%	0.643	61%	0.608	S	S	*	*	H	α-helix	trans	-84.9	-21.2	175.7	-169.8	0	0	0	0	114.2	D421	D421-S423 PolarHBondContact O-N 3.03Å
424	S	50	Low	48.3	Very low	48 Å²	48	115.1 Å²	115.1	34%	0.336	62%	0.62	S	S	.	*	H	α-helix	trans	-86.5	-22.3	179.9	65.6	0	0	0	0	112.8	I420 D421 N427 L428	I420-S424 VanDerWaalsContact CG2-OG 3.29Å; I420-S424 WeakPolarHBondContact CG2-OG 3.45Å; D421-S424 PolarHBondContact O-N 3.41Å; D421-S424 PolarHBondContact O-OG 3.18Å; S424-N427 PolarHBondContact O-N 3.32Å; S424-L428 WeakPolarHBondContact O-CB 3.46Å; S424-L428 PolarHBondContact O-N 2.94Å
425	T	54.4	Low	49	Very low	70 Å²	70	106.6 Å²	106.6	43%	0.429	61%	0.606	S	S	.	*	H	α-helix	trans	-69	-37.3	177.3	54.3	0	0	0	0	112.4	I420 V422 N427 L428 Y429	I420-T425 HydrophobicContact CG2-CG2 3.92Å; V422-T425 PolarHBondContact O-OG1 3.21Å; T425-N427 VanDerWaalsContact C-N 3.35Å; T425-N427 PolarHBondContact O-N 2.83Å; T425-L428 PolarHBondContact O-N 2.67Å; T425-Y429 WeakPolarHBondContact O-CB 3.27Å; T425-Y429 PolarHBondContact O-N 3.34Å
426	A	53.1	Low	50.1	Low	60 Å²	60	102.9 Å²	102.9	50%	0.496	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-37.1	176.3	0	0	0	0	0	112.8	K430	A426-K430 PolarHBondContact O-N 2.67Å
427	N	54.2	Low	51.1	Low	111 Å²	111	101.2 Å²	101.2	59%	0.594	58%	0.579	S	S	*	*	H	α-helix	trans	-76.3	-36.9	177.3	-71.6	-28.1	0	0	0	112.3	S424 T425 K430 S431	S424-N427 PolarHBondContact O-N 3.32Å; T425-N427 VanDerWaalsContact C-N 3.35Å; T425-N427 PolarHBondContact O-N 2.83Å; N427-K430 PolarHBondContact O-N 3.22Å; N427-S431 WeakPolarHBondContact O-CB 3.39Å; N427-S431 PolarHBondContact O-N 3.14Å; N427-S431 VanDerWaalsContact O-N 3.1Å
428	L	55	Low	52.3	Low	94 Å²	94	103.2 Å²	103.2	49%	0.492	58%	0.581	S	S	.	*	H	α-helix	trans	-63.2	-40.2	171	-99.3	154.8	0	0	0	112.2	S424 T425 K430 S431 L432	S424-L428 WeakPolarHBondContact O-CB 3.46Å; S424-L428 PolarHBondContact O-N 2.94Å; T425-L428 PolarHBondContact O-N 2.67Å; L428-K430 VanDerWaalsContact C-N 3.34Å; L428-K430 PolarHBondContact O-N 3.21Å; L428-S431 PolarHBondContact O-N 3.31Å; L428-L432 HydrophobicContact CD2-CD1 3.72Å; L428-L432 WeakPolarHBondContact O-CB 3.32Å; L428-L432 PolarHBondContact O-N 2.88Å
429	Y	52.9	Low	54.1	Low	126 Å²	126	100 Å²	100	49%	0.494	56%	0.562	S	S	.	*	H	α-helix	trans	-61.5	-42.1	176.8	-159.2	-95.2	0	0	0	111.9	T425 A433 V443	T425-Y429 WeakPolarHBondContact O-CB 3.27Å; T425-Y429 PolarHBondContact O-N 3.34Å; Y429-A433 WeakPolarHBondContact O-CB 3.39Å; Y429-A433 PolarHBondContact O-N 2.78Å; Y429-A433 VanDerWaalsContact O-N 3.12Å; Y429-V443 HydrophobicContact CE2-CG1 4.49Å
430	K	54.8	Low	55.9	Low	162 Å²	162	96.5 Å²	96.5	70%	0.704	54%	0.54	S	S	*	.	H	α-helix	trans	-70.9	-33.3	179.6	-152.1	176.7	-173.7	179	0	112.7	A426 N427 L428	A426-K430 PolarHBondContact O-N 2.67Å; N427-K430 PolarHBondContact O-N 3.22Å; L428-K430 VanDerWaalsContact C-N 3.34Å; L428-K430 PolarHBondContact O-N 3.21Å
431	S	54	Low	57.5	Low	77 Å²	77	99 Å²	99	54%	0.538	55%	0.549	S	S	.	.	H	α-helix	trans	-82.3	-38.6	179.6	-168	0	0	0	0	113.1	N427 L428 A433 Q434	N427-S431 WeakPolarHBondContact O-CB 3.39Å; N427-S431 PolarHBondContact O-N 3.14Å; N427-S431 VanDerWaalsContact O-N 3.1Å; L428-S431 PolarHBondContact O-N 3.31Å; S431-A433 VanDerWaalsContact C-N 3.33Å; S431-A433 PolarHBondContact O-N 2.86Å; S431-Q434 PolarHBondContact O-N 2.61Å
432	L	53	Low	59.3	Low	84 Å²	84	96.2 Å²	96.2	44%	0.44	54%	0.54	S	S	.	.	H	α-helix	trans	-66.3	-33.8	171.1	-102.8	92.1	0	0	0	112.4	L428 Q434 A435 A436	L428-L432 HydrophobicContact CD2-CD1 3.72Å; L428-L432 WeakPolarHBondContact O-CB 3.32Å; L428-L432 PolarHBondContact O-N 2.88Å; L432-Q434 PolarHBondContact O-N 2.7Å; L432-A435 PolarHBondContact O-N 2.81Å; L432-A435 VanDerWaalsContact O-N 3.08Å; L432-A436 PolarHBondContact O-N 2.9Å
433	A	53.9	Low	60.9	Low	36 Å²	36	92.8 Å²	92.8	30%	0.298	52%	0.519	S	S	.	.	H	α-helix	trans	-62.5	-20	176.7	0	0	0	0	0	113.7	Y429 S431 K440	Y429-A433 WeakPolarHBondContact O-CB 3.39Å; Y429-A433 PolarHBondContact O-N 2.78Å; Y429-A433 VanDerWaalsContact O-N 3.12Å; S431-A433 VanDerWaalsContact C-N 3.33Å; S431-A433 PolarHBondContact O-N 2.86Å; A433-K440 HydrophobicContact CB-CD 4.15Å
434	Q	53.9	Low	62.5	Low	176 Å²	176	91.8 Å²	91.8	82%	0.822	51%	0.506	S	S	*	.	H	α-helix	trans	-92.8	-18.9	173.8	-80	-179.3	-27.1	0	0	113.6	S431 L432	S431-Q434 PolarHBondContact O-N 2.61Å; L432-Q434 PolarHBondContact O-N 2.7Å
435	A	54.4	Low	64.2	Low	85 Å²	85	91.8 Å²	91.8	70%	0.702	51%	0.509	S	S	*	.	H	α-helix	trans	-102.7	-22.4	-170	0	0	0	0	0	115.1	L432	L432-A435 PolarHBondContact O-N 2.81Å; L432-A435 VanDerWaalsContact O-N 3.08Å
436	A	60.6	Low	65.7	Low	26 Å²	26	91.9 Å²	91.9	22%	0.215	51%	0.512	C	S	.	.			trans	-152.1	95.4	-179.1	0	0	0	0	0	112.3	L432 E438 I439 K440	L432-A436 PolarHBondContact O-N 2.9Å; A436-E438 PolarHBondContact O-N 2.72Å; A436-I439 HydrophobicContact CB-CB 4.16Å; A436-I439 HydrophobicContact CB-CD1 3.68Å; A436-I439 HydrophobicContact CB-CG1 3.87Å; A436-I439 PolarHBondContact O-N 2.95Å; A436-K440 PolarHBondContact O-N 3.25Å
437	P	65.1	Low	67.3	Low	91 Å²	91	93 Å²	93	59%	0.591	51%	0.51	S	S	*	.	H	α-helix	trans	-63.1	-29.6	-179	24.4	-32.9	0	0	0	113.1	K440 Q441	P437-K440 PolarHBondContact O-N 3.24Å; P437-Q441 WeakPolarHBondContact O-CG 3.34Å; P437-Q441 PolarHBondContact O-N 2.9Å
438	E	68.2	Low	69.1	Low	157 Å²	157	94.6 Å²	94.6	73%	0.734	51%	0.512	S	S	*	.	H	α-helix	trans	-68.7	-38	-180	-62.3	175.7	-178.7	0	0	112.7	A436 Q441 C442	A436-E438 PolarHBondContact O-N 2.72Å; E438-Q441 PolarHBondContact O-N 2.98Å; E438-C442 PolarHBondContact O-N 2.82Å
439	I	75.3	Confident	70.8	Confident	92 Å²	92	95.4 Å²	95.4	47%	0.472	52%	0.515	S	S	.	.	H	α-helix	trans	-70	-38.9	177.8	-59.9	177.3	0	0	0	110	A436 C442 V443	A436-I439 HydrophobicContact CB-CB 4.16Å; A436-I439 HydrophobicContact CB-CD1 3.68Å; A436-I439 HydrophobicContact CB-CG1 3.87Å; A436-I439 PolarHBondContact O-N 2.95Å; I439-C442 WeakPolarHBondContact O-CB 3.36Å; I439-C442 PolarHBondContact O-N 2.89Å; I439-V443 HydrophobicContact CG2-CG2 4.5Å; I439-V443 WeakPolarHBondContact O-CG2 3.4Å; I439-V443 PolarHBondContact O-N 3.29Å
440	K	77	Confident	72.5	Confident	92 Å²	92	92.2 Å²	92.2	40%	0.4	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-45.3	174.9	-173.1	-179.3	176.6	-176	0	111.5	A433 A436 P437 C442 V443 D444	A433-K440 HydrophobicContact CB-CD 4.15Å; A436-K440 PolarHBondContact O-N 3.25Å; P437-K440 PolarHBondContact O-N 3.24Å; K440-C442 VanDerWaalsContact C-N 3.3Å; K440-C442 PolarHBondContact O-N 2.85Å; K440-V443 PolarHBondContact O-N 2.92Å; K440-D444 WeakPolarHBondContact O-CB 3.48Å; K440-D444 VanDerWaalsContact O-CG 3.27Å; K440-D444 PolarHBondContact O-N 2.9Å
441	Q	77.5	Confident	74.1	Confident	138 Å²	138	90 Å²	90	65%	0.645	51%	0.507	S	S	*	.	H	α-helix	trans	-60.6	-38.4	175	-73.9	176.7	1.2	0	0	112.6	P437 E438 A445	P437-Q441 WeakPolarHBondContact O-CG 3.34Å; P437-Q441 PolarHBondContact O-N 2.9Å; E438-Q441 PolarHBondContact O-N 2.98Å; Q441-A445 VanDerWaalsContact O-CB 3.31Å; Q441-A445 WeakPolarHBondContact O-CB 3.34Å; Q441-A445 PolarHBondContact O-N 2.97Å
442	C	80.9	Confident	75.7	Confident	78 Å²	78	88.7 Å²	88.7	53%	0.527	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-44.9	175.4	-174.1	0	0	0	0	112.1	E438 I439 K440 A445 C446	E438-C442 PolarHBondContact O-N 2.82Å; I439-C442 WeakPolarHBondContact O-CB 3.36Å; I439-C442 PolarHBondContact O-N 2.89Å; K440-C442 VanDerWaalsContact C-N 3.3Å; K440-C442 PolarHBondContact O-N 2.85Å; C442-A445 PolarHBondContact O-N 2.92Å; C442-C446 PolarHBondContact O-N 3.05Å; C442-C446 PolarHBondContact O-SG 2.99Å; C442-C446 VanDerWaalsContact O-SG 3.39Å
443	V	83.6	Confident	77.2	Confident	54 Å²	54	89.7 Å²	89.7	33%	0.327	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-43.1	176.4	172.3	0	0	0	0	111.3	Y429 I439 K440 A445 C446 N447	Y429-V443 HydrophobicContact CE2-CG1 4.49Å; I439-V443 HydrophobicContact CG2-CG2 4.5Å; I439-V443 WeakPolarHBondContact O-CG2 3.4Å; I439-V443 PolarHBondContact O-N 3.29Å; K440-V443 PolarHBondContact O-N 2.92Å; V443-A445 VanDerWaalsContact C-N 3.33Å; V443-A445 PolarHBondContact O-N 3.01Å; V443-C446 PolarHBondContact O-N 2.96Å; V443-N447 WeakPolarHBondContact O-CB 3.37Å; V443-N447 VanDerWaalsContact O-CG 3.31Å; V443-N447 PolarHBondContact O-N 2.59Å; V443-N447 PolarHBondContact O-ND2 3.1Å
444	D	81.5	Confident	78.8	Confident	71 Å²	71	96.6 Å²	96.6	38%	0.38	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-39.2	176.4	-69.9	-22.1	0	0	0	111.1	K440 N447 F448	K440-D444 WeakPolarHBondContact O-CB 3.48Å; K440-D444 VanDerWaalsContact O-CG 3.27Å; K440-D444 PolarHBondContact O-N 2.9Å; D444-N447 PolarHBondContact O-N 2.96Å; D444-F448 WeakPolarHBondContact O-CB 2.86Å; D444-F448 PolarHBondContact O-N 2.75Å
445	A	85.7	Confident	80.3	Confident	48 Å²	48	93.5 Å²	93.5	40%	0.397	50%	0.502	S	S	.	.	H	α-helix	trans	-66.4	-41.9	173.9	0	0	0	0	0	112.6	Q441 C442 V443 F448 I449	Q441-A445 VanDerWaalsContact O-CB 3.31Å; Q441-A445 WeakPolarHBondContact O-CB 3.34Å; Q441-A445 PolarHBondContact O-N 2.97Å; C442-A445 PolarHBondContact O-N 2.92Å; V443-A445 VanDerWaalsContact C-N 3.33Å; V443-A445 PolarHBondContact O-N 3.01Å; A445-F448 PolarHBondContact O-N 3.47Å; A445-I449 WeakPolarHBondContact O-CD1 3.4Å; A445-I449 VanDerWaalsContact O-CG1 3.24Å; A445-I449 WeakPolarHBondContact O-CG1 3.4Å; A445-I449 PolarHBondContact O-N 3.31Å
446	C	85.3	Confident	81.7	Confident	72 Å²	72	96 Å²	96	49%	0.486	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-40.8	174.4	-74	0	0	0	0	112.1	C442 V443 I449 A450	C442-C446 PolarHBondContact O-N 3.05Å; C442-C446 PolarHBondContact O-SG 2.99Å; C442-C446 VanDerWaalsContact O-SG 3.39Å; V443-C446 PolarHBondContact O-N 2.96Å; C446-I449 PolarHBondContact O-N 2.74Å; C446-A450 WeakPolarHBondContact O-CB 3.4Å; C446-A450 PolarHBondContact O-N 3.29Å
447	N	87.1	Confident	82.9	Confident	84 Å²	84	99.1 Å²	99.1	45%	0.449	51%	0.513	S	S	.	.	H	α-helix	trans	-63.8	-43.2	175	-75.8	-20.8	0	0	0	111.1	V443 D444 I449 A450 E451	V443-N447 WeakPolarHBondContact O-CB 3.37Å; V443-N447 VanDerWaalsContact O-CG 3.31Å; V443-N447 PolarHBondContact O-N 2.59Å; V443-N447 PolarHBondContact O-ND2 3.1Å; D444-N447 PolarHBondContact O-N 2.96Å; N447-I449 PolarHBondContact O-N 2.89Å; N447-A450 PolarHBondContact O-N 3.42Å; N447-E451 VanDerWaalsContact O-CB 3.29Å; N447-E451 WeakPolarHBondContact O-CB 3.27Å; N447-E451 PolarHBondContact O-N 2.77Å
448	F	91.3	Very high	83.7	Confident	144 Å²	144	98.9 Å²	98.9	63%	0.632	51%	0.507	S	S	*	.	H	α-helix	trans	-61.7	-42.9	174.8	179.9	-98.9	0	0	0	112.4	D444 A445 E451 S452	D444-F448 WeakPolarHBondContact O-CB 2.86Å; D444-F448 PolarHBondContact O-N 2.75Å; A445-F448 PolarHBondContact O-N 3.47Å; F448-E451 PolarHBondContact O-N 3.1Å; F448-S452 WeakPolarHBondContact O-CB 3.44Å; F448-S452 PolarHBondContact O-N 3.4Å
449	I	90.9	Very high	84.3	Confident	110 Å²	110	95.5 Å²	95.5	56%	0.564	49%	0.493	S	S	*	.	H	α-helix	trans	-64	-43.3	175.8	-68.1	163.4	0	0	0	110.6	A445 C446 N447 K453	A445-I449 WeakPolarHBondContact O-CD1 3.4Å; A445-I449 VanDerWaalsContact O-CG1 3.24Å; A445-I449 WeakPolarHBondContact O-CG1 3.4Å; A445-I449 PolarHBondContact O-N 3.31Å; C446-I449 PolarHBondContact O-N 2.74Å; N447-I449 PolarHBondContact O-N 2.89Å; I449-K453 WeakPolarHBondContact O-CB 3.46Å; I449-K453 PolarHBondContact O-N 2.88Å
450	A	87.9	Confident	84.6	Confident	59 Å²	59	92.5 Å²	92.5	49%	0.488	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-42.9	178.2	0	0	0	0	0	111.7	C446 N447 K453 R454	C446-A450 WeakPolarHBondContact O-CB 3.4Å; C446-A450 PolarHBondContact O-N 3.29Å; N447-A450 PolarHBondContact O-N 3.42Å; A450-K453 PolarHBondContact O-N 2.98Å; A450-R454 WeakPolarHBondContact O-CB 3.35Å; A450-R454 PolarHBondContact O-N 3.02Å
451	E	88.9	Confident	84.8	Confident	117 Å²	117	90.8 Å²	90.8	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-69	-43.1	178.1	-169.8	168.1	-164.3	0	0	111.8	N447 F448 K453 R454 Q455	N447-E451 VanDerWaalsContact O-CB 3.29Å; N447-E451 WeakPolarHBondContact O-CB 3.27Å; N447-E451 PolarHBondContact O-N 2.77Å; F448-E451 PolarHBondContact O-N 3.1Å; E451-K453 PolarHBondContact O-N 2.71Å; E451-R454 WeakPolarHBondContact O-CB 3.44Å; E451-R454 PolarHBondContact O-N 3.28Å; E451-Q455 WeakPolarHBondContact O-CG 3.33Å; E451-Q455 PolarHBondContact O-N 2.82Å
452	S	88	Confident	85	Confident	49 Å²	49	88 Å²	88	34%	0.343	47%	0.471	S	S	.	.	H	α-helix	trans	-61.6	-42.6	173.8	179.4	0	0	0	0	111.7	F448 R454 Q455 Q456	F448-S452 WeakPolarHBondContact O-CB 3.44Å; F448-S452 PolarHBondContact O-N 3.4Å; S452-R454 VanDerWaalsContact C-N 3.34Å; S452-R454 PolarHBondContact O-N 3.26Å; S452-Q455 PolarHBondContact O-N 3.44Å; S452-Q456 VanDerWaalsContact O-CB 3.31Å; S452-Q456 WeakPolarHBondContact O-CB 3.26Å; S452-Q456 PolarHBondContact O-N 2.89Å
453	K	84.4	Confident	85	Confident	104 Å²	104	87.3 Å²	87.3	45%	0.452	46%	0.461	S	S	.	.	H	α-helix	trans	-66.6	-35.9	176.1	-164.3	165.1	-170.1	164.8	0	111.6	E400 I449 A450 E451 Q456 N457	E400-K453 IonicContact OE1-NZ 3.22Å; E400-K453 PolarHBondContact OE1-NZ 2.91Å; I449-K453 WeakPolarHBondContact O-CB 3.46Å; I449-K453 PolarHBondContact O-N 2.88Å; A450-K453 PolarHBondContact O-N 2.98Å; E451-K453 PolarHBondContact O-N 2.71Å; K453-Q456 PolarHBondContact O-N 3.26Å; K453-N457 WeakPolarHBondContact O-CB 3.49Å; K453-N457 VanDerWaalsContact O-CG 3.26Å; K453-N457 PolarHBondContact O-N 3.23Å
454	R	87.3	Confident	85	Confident	181 Å²	181	90.4 Å²	90.4	68%	0.683	47%	0.472	S	S	*	.	H	α-helix	trans	-65.1	-50	174	-170.7	177.1	-176.1	164.8	3	111.3	A450 E451 S452 Q456 N457 D458	A450-R454 WeakPolarHBondContact O-CB 3.35Å; A450-R454 PolarHBondContact O-N 3.02Å; E451-R454 WeakPolarHBondContact O-CB 3.44Å; E451-R454 PolarHBondContact O-N 3.28Å; S452-R454 VanDerWaalsContact C-N 3.34Å; S452-R454 PolarHBondContact O-N 3.26Å; R454-Q456 VanDerWaalsContact C-N 3.28Å; R454-Q456 PolarHBondContact O-N 2.79Å; R454-N457 WeakPolarHBondContact O-CB 3.49Å; R454-N457 PolarHBondContact O-N 2.93Å; R454-N457 VanDerWaalsContact O-N 3.14Å; R454-D458 VanDerWaalsContact O-CG 3.23Å; R454-D458 PolarHBondContact O-N 2.81Å
455	Q	85.6	Confident	85.1	Confident	111 Å²	111	88.3 Å²	88.3	52%	0.519	46%	0.463	S	S	.	.	H	α-helix	trans	-58.9	-39.8	175.4	-72.2	177.8	-3.5	0	0	112	E451 S452 D458 I459	E451-Q455 WeakPolarHBondContact O-CG 3.33Å; E451-Q455 PolarHBondContact O-N 2.82Å; S452-Q455 PolarHBondContact O-N 3.44Å; Q455-D458 PolarHBondContact O-N 3.06Å; Q455-I459 WeakPolarHBondContact O-CB 3.3Å; Q455-I459 WeakPolarHBondContact O-CD1 3.49Å; Q455-I459 VanDerWaalsContact O-CG1 3.24Å; Q455-I459 WeakPolarHBondContact O-CG1 3.38Å; Q455-I459 PolarHBondContact O-N 2.66Å
456	Q	83.1	Confident	85	Confident	137 Å²	137	86.3 Å²	86.3	64%	0.64	45%	0.445	S	S	*	.	H	α-helix	trans	-68.2	-36.4	177.6	-166.5	166	8.6	0	0	112.5	S452 K453 R454 G460	S452-Q456 VanDerWaalsContact O-CB 3.31Å; S452-Q456 WeakPolarHBondContact O-CB 3.26Å; S452-Q456 PolarHBondContact O-N 2.89Å; K453-Q456 PolarHBondContact O-N 3.26Å; R454-Q456 VanDerWaalsContact C-N 3.28Å; R454-Q456 PolarHBondContact O-N 2.79Å; Q456-G460 PolarHBondContact O-N 3.47Å
457	N	86.2	Confident	84.9	Confident	93 Å²	93	85.1 Å²	85.1	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-67.1	-42.3	171.9	-75.9	-11.8	0	0	0	111.8	K453 R454 G460 S461	K453-N457 WeakPolarHBondContact O-CB 3.49Å; K453-N457 VanDerWaalsContact O-CG 3.26Å; K453-N457 PolarHBondContact O-N 3.23Å; R454-N457 WeakPolarHBondContact O-CB 3.49Å; R454-N457 PolarHBondContact O-N 2.93Å; R454-N457 VanDerWaalsContact O-N 3.14Å; N457-G460 PolarHBondContact O-N 2.89Å; N457-S461 WeakPolarHBondContact O-CB 3.24Å; N457-S461 PolarHBondContact O-N 3.4Å
458	D	81.9	Confident	84.7	Confident	86 Å²	86	82.7 Å²	82.7	46%	0.46	42%	0.423	S	S	.	.	H	α-helix	trans	-62.4	-47.4	178.7	-66.1	-21.1	0	0	0	110.3	R454 Q455 G460 S461 E462	R454-D458 VanDerWaalsContact O-CG 3.23Å; R454-D458 PolarHBondContact O-N 2.81Å; Q455-D458 PolarHBondContact O-N 3.06Å; D458-G460 VanDerWaalsContact C-N 3.32Å; D458-G460 PolarHBondContact O-N 3.44Å; D458-S461 PolarHBondContact O-N 3.15Å; D458-S461 PolarHBondContact O-OG 2.64Å; D458-E462 PolarHBondContact O-N 3.02Å; D458-E462 VanDerWaalsContact O-N 3.09Å
459	I	82	Confident	84.3	Confident	86 Å²	86	75.8 Å²	75.8	44%	0.441	39%	0.392	S	S	.	.	H	α-helix	trans	-59	-42.8	173.2	-69.3	165.9	0	0	0	111.1	P336 Q455 E462 I463	P336-I459 HydrophobicContact CG-CG2 4.16Å; Q455-I459 WeakPolarHBondContact O-CB 3.3Å; Q455-I459 WeakPolarHBondContact O-CD1 3.49Å; Q455-I459 VanDerWaalsContact O-CG1 3.24Å; Q455-I459 WeakPolarHBondContact O-CG1 3.38Å; Q455-I459 PolarHBondContact O-N 2.66Å; I459-E462 PolarHBondContact O-N 2.89Å; I459-I463 HydrophobicContact CG2-CD1 3.85Å; I459-I463 VanDerWaalsContact O-CG1 3.27Å; I459-I463 WeakPolarHBondContact O-CG1 3.4Å; I459-I463 PolarHBondContact O-N 3.26Å; I459-I463 VanDerWaalsContact O-N 3.09Å
460	G	80.3	Confident	84	Confident	28 Å²	28	70.6 Å²	70.6	29%	0.289	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-43.7	176.1	0	0	0	0	0	112.6	Q456 N457 D458 E462 I463 E464	Q456-G460 PolarHBondContact O-N 3.47Å; N457-G460 PolarHBondContact O-N 2.89Å; D458-G460 VanDerWaalsContact C-N 3.32Å; D458-G460 PolarHBondContact O-N 3.44Å; G460-E462 PolarHBondContact O-N 2.95Å; G460-I463 PolarHBondContact O-N 2.89Å; G460-E464 WeakPolarHBondContact O-CG 3.13Å; G460-E464 PolarHBondContact O-N 2.95Å
461	S	81.4	Confident	83.8	Confident	57 Å²	57	73.1 Å²	73.1	40%	0.399	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-35.7	179.9	77.3	0	0	0	0	113.1	N457 D458 E464 S465	N457-S461 WeakPolarHBondContact O-CB 3.24Å; N457-S461 PolarHBondContact O-N 3.4Å; D458-S461 PolarHBondContact O-N 3.15Å; D458-S461 PolarHBondContact O-OG 2.64Å; S461-E464 PolarHBondContact O-N 2.54Å; S461-S465 PolarHBondContact O-N 2.82Å; S461-S465 PolarHBondContact O-OG 3.09Å
462	E	81.1	Confident	83.6	Confident	79 Å²	79	67.9 Å²	67.9	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-69.7	-39.5	174.2	-73.4	-166.4	166.7	0	0	111.8	P336 D458 I459 G460 S465 W466	P336-E462 VanDerWaalsContact CB-OE2 3.29Å; P336-E462 WeakPolarHBondContact CB-OE2 3.41Å; P336-E462 HydrophobicContact CG-CB 3.8Å; P336-E462 WeakPolarHBondContact CG-OE2 3.32Å; D458-E462 PolarHBondContact O-N 3.02Å; D458-E462 VanDerWaalsContact O-N 3.09Å; I459-E462 PolarHBondContact O-N 2.89Å; G460-E462 PolarHBondContact O-N 2.95Å; E462-S465 WeakPolarHBondContact O-CB 3.16Å; E462-S465 PolarHBondContact O-N 2.92Å; E462-W466 VanDerWaalsContact O-CD1 3.23Å; E462-W466 PolarHBondContact O-N 3.09Å
463	I	82	Confident	83.5	Confident	64 Å²	64	66.5 Å²	66.5	33%	0.328	33%	0.33	S	S	.	.	H	α-helix	trans	-62.9	-43.6	174.4	-67.2	166.3	0	0	0	110.4	P336 I459 G460 S465 W466 V467	P336-I463 HydrophobicContact CG-CG1 4.4Å; I459-I463 HydrophobicContact CG2-CD1 3.85Å; I459-I463 VanDerWaalsContact O-CG1 3.27Å; I459-I463 WeakPolarHBondContact O-CG1 3.4Å; I459-I463 PolarHBondContact O-N 3.26Å; I459-I463 VanDerWaalsContact O-N 3.09Å; G460-I463 PolarHBondContact O-N 2.89Å; I463-S465 VanDerWaalsContact C-N 3.25Å; I463-S465 PolarHBondContact O-N 2.87Å; I463-W466 PolarHBondContact O-N 3.14Å; I463-V467 WeakPolarHBondContact O-CG2 3.49Å; I463-V467 PolarHBondContact O-N 3.06Å
464	E	82.5	Confident	83.7	Confident	118 Å²	118	62.1 Å²	62.1	55%	0.551	31%	0.312	S	S	*	.	H	α-helix	trans	-57.9	-40	173.9	-75.5	-176.9	-175.8	0	0	111.6	G460 S461 V467 L468	G460-E464 WeakPolarHBondContact O-CG 3.13Å; G460-E464 PolarHBondContact O-N 2.95Å; S461-E464 PolarHBondContact O-N 2.54Å; E464-V467 PolarHBondContact O-N 3.09Å; E464-L468 WeakPolarHBondContact O-CB 3.32Å; E464-L468 PolarHBondContact O-N 3.04Å
465	S	83.9	Confident	83.6	Confident	28 Å²	28	57.1 Å²	57.1	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-43.4	176.3	-60.2	0	0	0	0	112.4	S461 E462 I463 L468 I469	S461-S465 PolarHBondContact O-N 2.82Å; S461-S465 PolarHBondContact O-OG 3.09Å; E462-S465 WeakPolarHBondContact O-CB 3.16Å; E462-S465 PolarHBondContact O-N 2.92Å; I463-S465 VanDerWaalsContact C-N 3.25Å; I463-S465 PolarHBondContact O-N 2.87Å; S465-L468 PolarHBondContact O-N 2.83Å; S465-I469 VanDerWaalsContact O-CG1 3.31Å; S465-I469 WeakPolarHBondContact O-CG1 3.39Å; S465-I469 PolarHBondContact O-N 2.76Å
466	W	83.8	Confident	83.8	Confident	5 Å²	5	54.7 Å²	54.7	2%	0.019	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-42.4	175.3	-80.2	112.4	0	0	0	112.8	Y331 R334 H339 M341 E462 I463 L468 I469 G470	Y331-W466 HydrophobicContact CD1-CE3 4.09Å; Y331-W466 AromaticContact CD1-CZ3 3.65Å; Y331-W466 HydrophobicContact CD1-CZ3 3.65Å; Y331-W466 AromaticContact CE1-CZ3 3.93Å; Y331-W466 HydrophobicContact CE1-CZ3 3.93Å; R334-W466 HydrophobicContact CB-CD2 3.87Å; R334-W466 HydrophobicContact CB-CE3 4.18Å; R334-W466 HydrophobicContact CB-CG 4.06Å; H339-W466 HydrophobicContact CB-CZ2 4.48Å; M341-W466 HydrophobicContact CB-CZ2 3.75Å; M341-W466 HydrophobicContact CG-CH2 4.39Å; M341-W466 HydrophobicContact CG-CZ2 4.01Å; E462-W466 VanDerWaalsContact O-CD1 3.23Å; E462-W466 PolarHBondContact O-N 3.09Å; I463-W466 PolarHBondContact O-N 3.14Å; W466-L468 VanDerWaalsContact C-N 3.26Å; W466-L468 PolarHBondContact O-N 3.08Å; W466-I469 HydrophobicContact CE3-CD1 4.3Å; W466-I469 PolarHBondContact O-N 2.89Å; W466-G470 PolarHBondContact O-N 3.3Å
467	V	83.4	Confident	84.1	Confident	47 Å²	47	49.3 Å²	49.3	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-39.1	174.6	171.4	0	0	0	0	110.7	I463 E464 G470 K471	I463-V467 WeakPolarHBondContact O-CG2 3.49Å; I463-V467 PolarHBondContact O-N 3.06Å; E464-V467 PolarHBondContact O-N 3.09Å; V467-G470 PolarHBondContact O-N 3.06Å; V467-K471 WeakPolarHBondContact O-CG 3.34Å; V467-K471 PolarHBondContact O-N 3.49Å
468	L	82.1	Confident	84.3	Confident	33 Å²	33	46 Å²	46	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-67.5	-42	178	-172.9	64.5	0	0	0	112	L350 L362 E464 S465 W466 G470 K471 M472	L350-L468 HydrophobicContact CD2-CB 4.27Å; L350-L468 HydrophobicContact CD2-CD2 3.37Å; L350-L468 HydrophobicContact CD2-CG 3.79Å; L362-L468 HydrophobicContact CB-CD1 4.48Å; L362-L468 HydrophobicContact CB-CD2 3.97Å; L362-L468 HydrophobicContact CD1-CD1 3.46Å; L362-L468 VanDerWaalsContact CD1-CD1 3.46Å; L362-L468 HydrophobicContact CD1-CD2 4.41Å; E464-L468 WeakPolarHBondContact O-CB 3.32Å; E464-L468 PolarHBondContact O-N 3.04Å; S465-L468 PolarHBondContact O-N 2.83Å; W466-L468 VanDerWaalsContact C-N 3.26Å; W466-L468 PolarHBondContact O-N 3.08Å; L468-G470 VanDerWaalsContact C-N 3.32Å; L468-G470 PolarHBondContact O-N 3.29Å; L468-K471 WeakPolarHBondContact O-CB 3.43Å; L468-K471 PolarHBondContact O-N 2.93Å; L468-M472 HydrophobicContact CD1-CE 4.14Å; L468-M472 WeakPolarHBondContact O-CG 3.44Å; L468-M472 PolarHBondContact O-N 3.3Å
469	I	84.4	Confident	84.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-46.1	172.9	-69.4	163.7	0	0	0	110.4	Y331 M341 V345 F349 L350 S465 W466 K471 M472 I473	Y331-I469 HydrophobicContact CD1-CG2 4.46Å; M341-I469 HydrophobicContact SD-CD1 3.69Å; V345-I469 HydrophobicContact CG1-CD1 4.22Å; F349-I469 HydrophobicContact CB-CB 4.45Å; F349-I469 HydrophobicContact CB-CG1 4.04Å; F349-I469 HydrophobicContact CB-CG2 4.05Å; F349-I469 HydrophobicContact CD2-CG2 4Å; F349-I469 HydrophobicContact CG-CG2 3.96Å; L350-I469 HydrophobicContact CD2-CG1 4.3Å; L350-I469 HydrophobicContact CG-CG1 4.22Å; S465-I469 VanDerWaalsContact O-CG1 3.31Å; S465-I469 WeakPolarHBondContact O-CG1 3.39Å; S465-I469 PolarHBondContact O-N 2.76Å; W466-I469 HydrophobicContact CE3-CD1 4.3Å; W466-I469 PolarHBondContact O-N 2.89Å; I469-K471 VanDerWaalsContact C-N 3.34Å; I469-K471 PolarHBondContact O-N 3.35Å; I469-M472 PolarHBondContact O-N 3.34Å; I469-M472 VanDerWaalsContact O-N 3.12Å; I469-I473 HydrophobicContact CG2-CD1 3.95Å; I469-I473 WeakPolarHBondContact O-CG1 3.47Å; I469-I473 PolarHBondContact O-N 3.13Å
470	G	84.4	Confident	85.1	Confident	1 Å²	1	48 Å²	48	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-56.3	-45.4	175.4	0	0	0	0	0	112.7	W466 V467 L468 M472 I473 D474	W466-G470 PolarHBondContact O-N 3.3Å; V467-G470 PolarHBondContact O-N 3.06Å; L468-G470 VanDerWaalsContact C-N 3.32Å; L468-G470 PolarHBondContact O-N 3.29Å; G470-M472 VanDerWaalsContact C-N 3.35Å; G470-M472 PolarHBondContact O-N 3.04Å; G470-I473 PolarHBondContact O-N 3.15Å; G470-D474 WeakPolarHBondContact O-CB 3.5Å; G470-D474 PolarHBondContact O-N 3.17Å
471	K	83.3	Confident	85.5	Confident	112 Å²	112	47.2 Å²	47.2	49%	0.487	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-38.5	174.9	-73.4	177.2	-179.6	176.4	0	112.8	V467 L468 I469 D474 K475	V467-K471 WeakPolarHBondContact O-CG 3.34Å; V467-K471 PolarHBondContact O-N 3.49Å; L468-K471 WeakPolarHBondContact O-CB 3.43Å; L468-K471 PolarHBondContact O-N 2.93Å; I469-K471 VanDerWaalsContact C-N 3.34Å; I469-K471 PolarHBondContact O-N 3.35Å; K471-D474 VanDerWaalsContact O-CB 3.3Å; K471-D474 WeakPolarHBondContact O-CB 3.41Å; K471-D474 PolarHBondContact O-N 3.21Å; K471-K475 WeakPolarHBondContact O-CG 3.29Å; K471-K475 PolarHBondContact O-N 2.97Å
472	M	84.4	Confident	86	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.034	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-42.7	178.5	-69.9	-60.2	164.9	0	0	111.8	V353 P354 M359 L362 L468 I469 G470 D474 K475 V476	V353-M472 HydrophobicContact CG1-CB 4.27Å; P354-M472 HydrophobicContact CG-CE 4.15Å; P354-M472 HydrophobicContact CG-SD 4.08Å; M359-M472 HydrophobicContact CE-CE 4.01Å; M359-M472 HydrophobicContact CE-SD 3.48Å; M359-M472 WeakPolarHBondContact CE-SD 3.37Å; M359-M472 HydrophobicContact SD-CE 4.43Å; L362-M472 HydrophobicContact CD1-CE 3.92Å; L468-M472 HydrophobicContact CD1-CE 4.14Å; L468-M472 WeakPolarHBondContact O-CG 3.44Å; L468-M472 PolarHBondContact O-N 3.3Å; I469-M472 PolarHBondContact O-N 3.34Å; I469-M472 VanDerWaalsContact O-N 3.12Å; G470-M472 VanDerWaalsContact C-N 3.35Å; G470-M472 PolarHBondContact O-N 3.04Å; M472-D474 VanDerWaalsContact C-N 3.28Å; M472-D474 PolarHBondContact O-N 3.17Å; M472-K475 PolarHBondContact O-N 3.27Å; M472-V476 WeakPolarHBondContact O-CG2 3.34Å; M472-V476 PolarHBondContact O-N 2.79Å
473	I	86.1	Confident	86.5	Confident	19 Å²	19	50 Å²	50	10%	0.097	25%	0.251	C	S	.	.	H	α-helix	trans	-57.8	-45.9	172.5	-64.8	166.3	0	0	0	109.8	V328 Y331 F349 I469 G470 K475 V476 C477	V328-I473 HydrophobicContact CG2-CB 4.25Å; V328-I473 HydrophobicContact CG2-CG2 3.66Å; Y331-I473 HydrophobicContact CD1-CD1 4.36Å; Y331-I473 HydrophobicContact CD2-CD1 4.32Å; Y331-I473 HydrophobicContact CG-CD1 4.12Å; F349-I473 HydrophobicContact CD1-CG1 3.85Å; F349-I473 HydrophobicContact CE1-CD1 4.1Å; F349-I473 HydrophobicContact CE1-CG1 3.37Å; F349-I473 HydrophobicContact CZ-CD1 4.06Å; F349-I473 HydrophobicContact CZ-CG1 3.82Å; I469-I473 HydrophobicContact CG2-CD1 3.95Å; I469-I473 WeakPolarHBondContact O-CG1 3.47Å; I469-I473 PolarHBondContact O-N 3.13Å; G470-I473 PolarHBondContact O-N 3.15Å; I473-K475 VanDerWaalsContact C-N 3.31Å; I473-K475 PolarHBondContact O-N 2.96Å; I473-V476 PolarHBondContact O-N 3.11Å; I473-C477 WeakPolarHBondContact O-CB 3.47Å; I473-C477 PolarHBondContact O-N 3.45Å; I473-C477 PolarHBondContact O-SG 3.48Å; I473-C477 VanDerWaalsContact O-SG 3.35Å
474	D	87.9	Confident	86.9	Confident	13 Å²	13	50.8 Å²	50.8	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-55.3	-44.4	177.6	-134.4	21.4	0	0	0	112.4	Y265 K275 Q325 V328 G470 K471 M472 F478	Y265-D474 WeakPolarHBondContact CD1-O 3.33Å; Y265-D474 WeakPolarHBondContact CD1-OD1 3.27Å; K275-D474 IonicContact NZ-OD1 2.66Å; K275-D474 PolarHBondContact NZ-OD1 3.24Å; K275-D474 IonicContact NZ-OD2 3.44Å; K275-D474 PolarHBondContact NZ-OD2 2.84Å; Q325-D474 PolarHBondContact OE1-OD1 3.09Å; V328-D474 HydrophobicContact CG1-CB 4.4Å; G470-D474 WeakPolarHBondContact O-CB 3.5Å; G470-D474 PolarHBondContact O-N 3.17Å; K471-D474 VanDerWaalsContact O-CB 3.3Å; K471-D474 WeakPolarHBondContact O-CB 3.41Å; K471-D474 PolarHBondContact O-N 3.21Å; M472-D474 VanDerWaalsContact C-N 3.28Å; M472-D474 PolarHBondContact O-N 3.17Å; D474-F478 WeakPolarHBondContact O-CB 3.46Å; D474-F478 PolarHBondContact O-N 3.23Å
475	K	86.7	Confident	87.3	Confident	75 Å²	75	46.4 Å²	46.4	33%	0.326	23%	0.234	S	C	.	.	H	α-helix	trans	-68.7	-42.1	-180	-69.5	-67.3	179.4	-172.7	0	112.8	L357 M359 K471 M472 I473 F478 W479	L357-K475 HydrophobicContact CD1-CB 4.31Å; M359-K475 HydrophobicContact CE-CB 4.28Å; M359-K475 HydrophobicContact CE-CG 4.19Å; K471-K475 WeakPolarHBondContact O-CG 3.29Å; K471-K475 PolarHBondContact O-N 2.97Å; M472-K475 PolarHBondContact O-N 3.27Å; I473-K475 VanDerWaalsContact C-N 3.31Å; I473-K475 PolarHBondContact O-N 2.96Å; K475-F478 PolarHBondContact O-N 2.82Å; K475-W479 VanDerWaalsContact O-CD1 3.22Å; K475-W479 PolarHBondContact O-N 3.28Å
476	V	88.4	Confident	87.6	Confident	60 Å²	60	48.1 Å²	48.1	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-49.3	175.9	175.2	0	0	0	0	110	V353 L357 M472 I473 F478 W479 A480	V353-V476 HydrophobicContact CG1-CG2 3.53Å; L357-V476 HydrophobicContact CD1-CG2 3.77Å; M472-V476 WeakPolarHBondContact O-CG2 3.34Å; M472-V476 PolarHBondContact O-N 2.79Å; I473-V476 PolarHBondContact O-N 3.11Å; V476-F478 VanDerWaalsContact C-N 3.29Å; V476-F478 PolarHBondContact O-N 3.07Å; V476-W479 PolarHBondContact O-N 3.05Å; V476-A480 PolarHBondContact O-N 3.02Å
477	C	89.9	Confident	88	Confident	25 Å²	25	51.7 Å²	51.7	17%	0.169	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-35.6	179	-70.5	0	0	0	0	112.2	Y265 I473 A480 A481	Y265-C477 HydrophobicContact CD1-CB 4.34Å; Y265-C477 HydrophobicContact CE1-CB 3.53Å; I473-C477 WeakPolarHBondContact O-CB 3.47Å; I473-C477 PolarHBondContact O-N 3.45Å; I473-C477 PolarHBondContact O-SG 3.48Å; I473-C477 VanDerWaalsContact O-SG 3.35Å; C477-A480 PolarHBondContact O-N 3.01Å; C477-A481 WeakPolarHBondContact O-CB 3.47Å; C477-A481 PolarHBondContact O-N 2.85Å
478	F	90.4	Very high	88.4	Confident	22 Å²	22	50.2 Å²	50.2	10%	0.096	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-51.6	173.7	168.7	-97.7	0	0	0	112.2	V262 Y265 F266 D474 K475 V476 A480 A481 I482	V262-F478 HydrophobicContact CG1-CD2 3.82Å; V262-F478 HydrophobicContact CG1-CE2 3.57Å; Y265-F478 HydrophobicContact CD1-CB 4.3Å; Y265-F478 HydrophobicContact CD2-CB 4.34Å; Y265-F478 HydrophobicContact CD2-CD2 4.32Å; Y265-F478 HydrophobicContact CG-CB 3.95Å; Y265-F478 HydrophobicContact CG-CD2 4.34Å; F266-F478 HydrophobicContact CD2-CE2 4.36Å; F266-F478 HydrophobicContact CE2-CD2 4.18Å; F266-F478 AromaticContact CE2-CE2 3.4Å; F266-F478 HydrophobicContact CE2-CE2 3.4Å; F266-F478 VanDerWaalsContact CE2-CE2 3.4Å; F266-F478 AromaticContact CE2-CZ 3.76Å; F266-F478 HydrophobicContact CE2-CZ 3.76Å; F266-F478 HydrophobicContact CZ-CD2 4.27Å; F266-F478 HydrophobicContact CZ-CE1 4.11Å; F266-F478 AromaticContact CZ-CE2 3.54Å; F266-F478 HydrophobicContact CZ-CE2 3.54Å; F266-F478 AromaticContact CZ-CZ 3.46Å; F266-F478 HydrophobicContact CZ-CZ 3.46Å; F266-F478 VanDerWaalsContact CZ-CZ 3.46Å; D474-F478 WeakPolarHBondContact O-CB 3.46Å; D474-F478 PolarHBondContact O-N 3.23Å; K475-F478 PolarHBondContact O-N 2.82Å; V476-F478 VanDerWaalsContact C-N 3.29Å; V476-F478 PolarHBondContact O-N 3.07Å; F478-A480 VanDerWaalsContact C-N 3.32Å; F478-A480 PolarHBondContact O-N 2.71Å; F478-A481 PolarHBondContact O-N 2.81Å; F478-I482 HydrophobicContact CE2-CD1 4.49Å; F478-I482 HydrophobicContact CZ-CD1 4.03Å; F478-I482 WeakPolarHBondContact O-CG2 3.33Å; F478-I482 PolarHBondContact O-N 3.37Å
479	W	89.9	Confident	88.8	Confident	157 Å²	157	49.5 Å²	49.5	60%	0.595	26%	0.258	S	S	*	.	H	α-helix	trans	-64.8	-37.2	179.9	-78.5	113.8	0	0	0	112.2	K475 V476 I482 F483	K475-W479 VanDerWaalsContact O-CD1 3.22Å; K475-W479 PolarHBondContact O-N 3.28Å; V476-W479 PolarHBondContact O-N 3.05Å; W479-I482 HydrophobicContact CE3-CG2 4.03Å; W479-I482 WeakPolarHBondContact O-CG2 3.41Å; W479-F483 VanDerWaalsContact O-CB 3.31Å; W479-F483 WeakPolarHBondContact O-CB 3.19Å; W479-F483 PolarHBondContact O-N 2.89Å; W479-F483 VanDerWaalsContact O-N 3.17Å
480	A	90.6	Very high	89.1	Confident	59 Å²	59	53.8 Å²	53.8	49%	0.488	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-44.6	173.4	0	0	0	0	0	111.9	V476 C477 F478 L484	V476-A480 PolarHBondContact O-N 3.02Å; C477-A480 PolarHBondContact O-N 3.01Å; F478-A480 VanDerWaalsContact C-N 3.32Å; F478-A480 PolarHBondContact O-N 2.71Å; A480-L484 VanDerWaalsContact O-CB 3.28Å; A480-L484 WeakPolarHBondContact O-CB 3.45Å; A480-L484 PolarHBondContact O-N 2.94Å
481	A	90.1	Very high	89.5	Confident	10 Å²	10	55.3 Å²	55.3	8%	0.083	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-42.8	-178.8	0	0	0	0	0	112.3	Y265 I321 C477 F478 L484 F485	Y265-A481 HydrophobicContact CE2-CB 3.89Å; I321-A481 HydrophobicContact CD1-CB 4.13Å; I321-A481 HydrophobicContact CG1-CB 4.21Å; C477-A481 WeakPolarHBondContact O-CB 3.47Å; C477-A481 PolarHBondContact O-N 2.85Å; F478-A481 PolarHBondContact O-N 2.81Å; A481-L484 PolarHBondContact O-N 3.37Å; A481-F485 WeakPolarHBondContact O-CB 3.41Å; A481-F485 PolarHBondContact O-N 3.01Å
482	I	90.5	Very high	89.9	Confident	55 Å²	55	51.5 Å²	51.5	28%	0.282	28%	0.284	S	S	.	.	H	α-helix	trans	-67.8	-39.2	178.6	-160.5	166.3	0	0	0	111.4	V262 F478 W479 T486	V262-I482 HydrophobicContact CG1-CB 4.05Å; V262-I482 HydrophobicContact CG1-CD1 4.3Å; V262-I482 HydrophobicContact CG1-CG1 4.23Å; F478-I482 HydrophobicContact CE2-CD1 4.49Å; F478-I482 HydrophobicContact CZ-CD1 4.03Å; F478-I482 WeakPolarHBondContact O-CG2 3.33Å; F478-I482 PolarHBondContact O-N 3.37Å; W479-I482 HydrophobicContact CE3-CG2 4.03Å; W479-I482 WeakPolarHBondContact O-CG2 3.41Å; I482-T486 HydrophobicContact CG1-CG2 4.33Å; I482-T486 WeakPolarHBondContact O-CB 3.48Å; I482-T486 VanDerWaalsContact O-CG2 3.23Å; I482-T486 WeakPolarHBondContact O-CG2 3.27Å; I482-T486 PolarHBondContact O-N 3.48Å; I482-T486 PolarHBondContact O-OG1 3.43Å
483	F	91.4	Very high	90.1	Very high	141 Å²	141	53 Å²	53	62%	0.618	29%	0.29	S	S	*	.	H	α-helix	trans	-63.1	-49.4	174.6	177.5	-100.4	0	0	0	111	W479 F485 T486 V487	W479-F483 VanDerWaalsContact O-CB 3.31Å; W479-F483 WeakPolarHBondContact O-CB 3.19Å; W479-F483 PolarHBondContact O-N 2.89Å; W479-F483 VanDerWaalsContact O-N 3.17Å; F483-F485 PolarHBondContact O-N 3.23Å; F483-T486 PolarHBondContact O-N 3.38Å; F483-T486 PolarHBondContact O-OG1 3.18Å; F483-V487 HydrophobicContact CD1-CG2 4.47Å; F483-V487 HydrophobicContact CD2-CG2 4.01Å; F483-V487 HydrophobicContact CE1-CG2 4.16Å; F483-V487 HydrophobicContact CE2-CG2 3.67Å; F483-V487 HydrophobicContact CG-CG2 4.41Å; F483-V487 HydrophobicContact CZ-CG2 3.76Å; F483-V487 WeakPolarHBondContact O-CB 3.33Å; F483-V487 VanDerWaalsContact O-CG2 3.3Å; F483-V487 WeakPolarHBondContact O-CG2 3.46Å; F483-V487 PolarHBondContact O-N 3.32Å
484	L	91.6	Very high	90.4	Very high	79 Å²	79	56.1 Å²	56.1	41%	0.414	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-44.8	179.1	-174.4	149.2	0	0	0	111.5	F313 V317 A480 A481 G488	F313-L484 HydrophobicContact CE2-CD2 3.78Å; F313-L484 HydrophobicContact CZ-CD2 3.7Å; V317-L484 HydrophobicContact CB-CD2 4.29Å; V317-L484 HydrophobicContact CG1-CD2 4.05Å; V317-L484 HydrophobicContact CG2-CD2 3.21Å; A480-L484 VanDerWaalsContact O-CB 3.28Å; A480-L484 WeakPolarHBondContact O-CB 3.45Å; A480-L484 PolarHBondContact O-N 2.94Å; A481-L484 PolarHBondContact O-N 3.37Å; L484-G488 PolarHBondContact O-N 3.2Å
485	F	90.2	Very high	90.6	Very high	26 Å²	26	58.8 Å²	58.8	11%	0.114	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-46.6	178.5	178.4	-104.5	0	0	0	112.1	V314 A481 F483 T489	V314-F485 HydrophobicContact CG2-CE2 4.31Å; A481-F485 WeakPolarHBondContact O-CB 3.41Å; A481-F485 PolarHBondContact O-N 3.01Å; F483-F485 PolarHBondContact O-N 3.23Å; F485-T489 WeakPolarHBondContact O-CB 3.5Å; F485-T489 PolarHBondContact O-N 2.98Å; F485-T489 PolarHBondContact O-OG1 2.84Å
486	T	90.4	Very high	90.7	Very high	65 Å²	65	55.2 Å²	55.2	40%	0.399	31%	0.308	S	S	.	.	H	α-helix	trans	-66.5	-47.6	-179.1	50.4	0	0	0	0	111.9	I482 F483 T489 V490	I482-T486 HydrophobicContact CG1-CG2 4.33Å; I482-T486 WeakPolarHBondContact O-CB 3.48Å; I482-T486 VanDerWaalsContact O-CG2 3.23Å; I482-T486 WeakPolarHBondContact O-CG2 3.27Å; I482-T486 PolarHBondContact O-N 3.48Å; I482-T486 PolarHBondContact O-OG1 3.43Å; F483-T486 PolarHBondContact O-N 3.38Å; F483-T486 PolarHBondContact O-OG1 3.18Å; T486-T489 PolarHBondContact O-N 3.26Å; T486-V490 WeakPolarHBondContact O-CB 3.39Å; T486-V490 VanDerWaalsContact O-CG2 3.27Å; T486-V490 WeakPolarHBondContact O-CG2 3.49Å; T486-V490 PolarHBondContact O-N 2.94Å
487	V	92.7	Very high	90.8	Very high	79 Å²	79	57.6 Å²	57.6	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-44.4	178.6	173.5	0	0	0	0	111.2	F483 G491	F483-V487 HydrophobicContact CD1-CG2 4.47Å; F483-V487 HydrophobicContact CD2-CG2 4.01Å; F483-V487 HydrophobicContact CE1-CG2 4.16Å; F483-V487 HydrophobicContact CE2-CG2 3.67Å; F483-V487 HydrophobicContact CG-CG2 4.41Å; F483-V487 HydrophobicContact CZ-CG2 3.76Å; F483-V487 WeakPolarHBondContact O-CB 3.33Å; F483-V487 VanDerWaalsContact O-CG2 3.3Å; F483-V487 WeakPolarHBondContact O-CG2 3.46Å; F483-V487 PolarHBondContact O-N 3.32Å; V487-G491 PolarHBondContact O-N 3.16Å
488	G	91.3	Very high	90.9	Very high	17 Å²	17	63 Å²	63	18%	0.175	34%	0.336	C	S	.	.	H	α-helix	trans	-64.7	-45.4	178.3	0	0	0	0	0	112.6	L484 I492	L484-G488 PolarHBondContact O-N 3.2Å; G488-I492 WeakPolarHBondContact O-CB 3.33Å; G488-I492 WeakPolarHBondContact O-CD1 3.26Å; G488-I492 WeakPolarHBondContact O-CG1 3.47Å; G488-I492 PolarHBondContact O-N 2.81Å
489	T	90.4	Very high	91	Very high	18 Å²	18	63.1 Å²	63.1	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-50.3	179.6	-56.8	0	0	0	0	111.1	Y310 F485 T486 I492 F493	Y310-T489 HydrophobicContact CE2-CG2 3.93Å; F485-T489 WeakPolarHBondContact O-CB 3.5Å; F485-T489 PolarHBondContact O-N 2.98Å; F485-T489 PolarHBondContact O-OG1 2.84Å; T486-T489 PolarHBondContact O-N 3.26Å; T489-I492 PolarHBondContact O-N 3.41Å; T489-F493 HydrophobicContact CG2-CD2 3.73Å; T489-F493 HydrophobicContact CG2-CE2 3.7Å; T489-F493 WeakPolarHBondContact O-CD2 2.94Å; T489-F493 PolarHBondContact O-N 3.03Å; T489-F493 VanDerWaalsContact O-N 3.12Å
490	V	90.9	Very high	91	Very high	89 Å²	89	61.8 Å²	61.8	54%	0.539	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-45.1	179.2	173.5	0	0	0	0	110.6	T486 I492 F493 L494	T486-V490 WeakPolarHBondContact O-CB 3.39Å; T486-V490 VanDerWaalsContact O-CG2 3.27Å; T486-V490 WeakPolarHBondContact O-CG2 3.49Å; T486-V490 PolarHBondContact O-N 2.94Å; V490-I492 PolarHBondContact O-N 3.26Å; V490-F493 PolarHBondContact O-N 3Å; V490-L494 WeakPolarHBondContact O-CB 3.36Å; V490-L494 PolarHBondContact O-N 2.85Å
491	G	92.1	Very high	91	Very high	34 Å²	34	59.8 Å²	59.8	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-59.6	-44.1	-179.9	0	0	0	0	0	113	V487 T495	V487-G491 PolarHBondContact O-N 3.16Å; G491-T495 PolarHBondContact O-N 3.34Å; G491-T495 VanDerWaalsContact O-N 3.14Å; G491-T495 PolarHBondContact O-OG1 3.25Å
492	I	91.6	Very high	90.9	Very high	31 Å²	31	62.1 Å²	62.1	16%	0.159	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-48.1	179.2	-68	169.1	0	0	0	110.9	L306 Y310 F313 G488 T489 V490 T495 G496	L306-I492 HydrophobicContact CD1-CG2 3.69Å; L306-I492 HydrophobicContact CD2-CG2 4.39Å; L306-I492 HydrophobicContact CG-CG2 3.77Å; Y310-I492 HydrophobicContact CD2-CD1 4.2Å; F313-I492 HydrophobicContact CB-CD1 4.26Å; F313-I492 HydrophobicContact CD1-CD1 4.16Å; F313-I492 HydrophobicContact CG-CD1 4.24Å; G488-I492 WeakPolarHBondContact O-CB 3.33Å; G488-I492 WeakPolarHBondContact O-CD1 3.26Å; G488-I492 WeakPolarHBondContact O-CG1 3.47Å; G488-I492 PolarHBondContact O-N 2.81Å; T489-I492 PolarHBondContact O-N 3.41Å; V490-I492 PolarHBondContact O-N 3.26Å; I492-T495 WeakPolarHBondContact O-CB 3.19Å; I492-T495 PolarHBondContact O-N 3.07Å; I492-G496 PolarHBondContact O-N 3.06Å; I492-G496 VanDerWaalsContact O-N 3.15Å
493	F	89.1	Confident	90.7	Very high	39 Å²	39	68.1 Å²	68.1	17%	0.171	36%	0.363	C	S	.	.	H	α-helix	trans	-71.3	-32.3	-178.5	-73.9	-58.1	0	0	0	113.6	F161 I251 Y310 T489 V490 T495 G496 H497	F161-F493 AromaticContact CE2-CD1 3.95Å; F161-F493 HydrophobicContact CE2-CD1 3.95Å; F161-F493 HydrophobicContact CE2-CE1 4.32Å; F161-F493 HydrophobicContact CZ-CD1 4.39Å; I251-F493 HydrophobicContact CB-CE1 4.43Å; I251-F493 HydrophobicContact CB-CZ 4.17Å; I251-F493 HydrophobicContact CD1-CD1 4.32Å; I251-F493 HydrophobicContact CD1-CE1 3.47Å; I251-F493 VanDerWaalsContact CD1-CE1 3.47Å; I251-F493 HydrophobicContact CD1-CZ 4.08Å; I251-F493 HydrophobicContact CG1-CE1 3.77Å; I251-F493 HydrophobicContact CG1-CZ 3.86Å; I251-F493 HydrophobicContact CG2-CE1 3.79Å; I251-F493 HydrophobicContact CG2-CE2 3.82Å; I251-F493 HydrophobicContact CG2-CZ 3.3Å; Y310-F493 HydrophobicContact CD1-CZ 4.07Å; Y310-F493 HydrophobicContact CD2-CE2 4.26Å; Y310-F493 HydrophobicContact CD2-CZ 4.41Å; Y310-F493 HydrophobicContact CE1-CE2 4.31Å; Y310-F493 HydrophobicContact CE1-CZ 4.09Å; Y310-F493 HydrophobicContact CE2-CE2 4.02Å; Y310-F493 HydrophobicContact CE2-CZ 4.45Å; Y310-F493 HydrophobicContact CG-CZ 4.23Å; T489-F493 HydrophobicContact CG2-CD2 3.73Å; T489-F493 HydrophobicContact CG2-CE2 3.7Å; T489-F493 WeakPolarHBondContact O-CD2 2.94Å; T489-F493 PolarHBondContact O-N 3.03Å; T489-F493 VanDerWaalsContact O-N 3.12Å; V490-F493 PolarHBondContact O-N 3Å; F493-T495 VanDerWaalsContact C-N 3.3Å; F493-G496 PolarHBondContact O-N 3.45Å; F493-H497 WeakPolarHBondContact O-CB 3.2Å; F493-H497 PolarHBondContact O-N 2.95Å
494	L	91.6	Very high	90.6	Very high	84 Å²	84	64 Å²	64	44%	0.44	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-39.9	173.6	-163.4	105.5	0	0	0	110.8	V490 G496 H497 F498	V490-L494 WeakPolarHBondContact O-CB 3.36Å; V490-L494 PolarHBondContact O-N 2.85Å; L494-G496 VanDerWaalsContact C-N 3.34Å; L494-G496 PolarHBondContact O-N 2.98Å; L494-H497 PolarHBondContact O-N 2.86Å; L494-F498 HydrophobicContact CD1-CE2 4.37Å; L494-F498 HydrophobicContact CD1-CZ 4.18Å; L494-F498 HydrophobicContact CD2-CD2 4.02Å; L494-F498 HydrophobicContact CD2-CE2 3.27Å; L494-F498 HydrophobicContact CD2-CZ 3.86Å; L494-F498 HydrophobicContact CG-CD2 4.12Å; L494-F498 HydrophobicContact CG-CE2 3.55Å; L494-F498 HydrophobicContact CG-CZ 3.82Å; L494-F498 WeakPolarHBondContact O-CD2 3.48Å; L494-F498 WeakPolarHBondContact O-CG 3.37Å; L494-F498 PolarHBondContact O-N 3.46Å
495	T	91.9	Very high	90.4	Very high	69 Å²	69	60.7 Å²	60.7	42%	0.423	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-44	174.2	-51.6	0	0	0	0	111.1	Y158 G491 I492 F493 N499	Y158-T495 HydrophobicContact CE1-CG2 3.79Å; G491-T495 PolarHBondContact O-N 3.34Å; G491-T495 VanDerWaalsContact O-N 3.14Å; G491-T495 PolarHBondContact O-OG1 3.25Å; I492-T495 WeakPolarHBondContact O-CB 3.19Å; I492-T495 PolarHBondContact O-N 3.07Å; F493-T495 VanDerWaalsContact C-N 3.3Å; T495-N499 PolarHBondContact O-N 2.93Å
496	G	90.2	Very high	90.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-42.1	174.2	0	0	0	0	0	113	F161 L306 I492 F493 L494 F498 N499	F161-G496 VanDerWaalsContact CB-O 3.23Å; F161-G496 WeakPolarHBondContact CB-O 3.47Å; L306-G496 VanDerWaalsContact CD2-CA 3.48Å; I492-G496 PolarHBondContact O-N 3.06Å; I492-G496 VanDerWaalsContact O-N 3.15Å; F493-G496 PolarHBondContact O-N 3.45Å; L494-G496 VanDerWaalsContact C-N 3.34Å; L494-G496 PolarHBondContact O-N 2.98Å; G496-F498 VanDerWaalsContact C-N 3.31Å; G496-F498 PolarHBondContact O-N 3.44Å; G496-N499 WeakPolarHBondContact O-CB 3.45Å; G496-N499 PolarHBondContact O-N 3.42Å; G496-N499 VanDerWaalsContact O-N 3.08Å
497	H	89.8	Confident	89.8	Confident	111 Å²	111	63.6 Å²	63.6	51%	0.514	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-34.3	-179.2	-178.2	63.9	0	0	0	113.5	F493 L494 N499	F493-H497 WeakPolarHBondContact O-CB 3.2Å; F493-H497 PolarHBondContact O-N 2.95Å; L494-H497 PolarHBondContact O-N 2.86Å; H497-N499 VanDerWaalsContact C-N 3.27Å
498	F	92.3	Very high	89.1	Confident	139 Å²	139	63.7 Å²	63.7	61%	0.61	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.9	175.5	-64.6	-30.2	0	0	0	113.8	L494 G496 Q500	L494-F498 HydrophobicContact CD1-CE2 4.37Å; L494-F498 HydrophobicContact CD1-CZ 4.18Å; L494-F498 HydrophobicContact CD2-CD2 4.02Å; L494-F498 HydrophobicContact CD2-CE2 3.27Å; L494-F498 HydrophobicContact CD2-CZ 3.86Å; L494-F498 HydrophobicContact CG-CD2 4.12Å; L494-F498 HydrophobicContact CG-CE2 3.55Å; L494-F498 HydrophobicContact CG-CZ 3.82Å; L494-F498 WeakPolarHBondContact O-CD2 3.48Å; L494-F498 WeakPolarHBondContact O-CG 3.37Å; L494-F498 PolarHBondContact O-N 3.46Å; G496-F498 VanDerWaalsContact C-N 3.31Å; G496-F498 PolarHBondContact O-N 3.44Å; F498-Q500 VanDerWaalsContact C-N 3.26Å; F498-Q500 PolarHBondContact O-N 2.9Å
499	N	92	Very high	88.8	Confident	24 Å²	24	66.5 Å²	66.5	13%	0.128	38%	0.377	C	S	.	.			trans	-77.7	79.5	171.6	-171.8	64	0	0	0	110.3	Y158 F161 T495 G496 H497	Y158-N499 WeakPolarHBondContact CB-ND2 3.23Å; Y158-N499 HydrophobicContact CD1-CB 4.09Å; Y158-N499 HydrophobicContact CD2-CB 4Å; Y158-N499 WeakPolarHBondContact CD2-OD1 3.38Å; Y158-N499 WeakPolarHBondContact CE2-OD1 3.25Å; Y158-N499 HydrophobicContact CG-CB 3.73Å; Y158-N499 VanDerWaalsContact CG-CG 3.48Å; F161-N499 PolarHBondContact O-ND2 2.93Å; T495-N499 PolarHBondContact O-N 2.93Å; G496-N499 WeakPolarHBondContact O-CB 3.45Å; G496-N499 PolarHBondContact O-N 3.42Å; G496-N499 VanDerWaalsContact O-N 3.08Å; H497-N499 VanDerWaalsContact C-N 3.27Å
500	Q	90.7	Very high	88.3	Confident	128 Å²	128	73.3 Å²	73.3	60%	0.598	41%	0.412	S	S	*	.			trans	-104.9	147.7	174.1	-62.3	-176.6	-0.7	0	0	109.6	F498	F498-Q500 VanDerWaalsContact C-N 3.26Å; F498-Q500 PolarHBondContact O-N 2.9Å
501	A	89	Confident	87.9	Confident	18 Å²	18	73.8 Å²	73.8	15%	0.149	41%	0.407	C	S	.	.			trans	-52.5	139.6	170.9	0	0	0	0	0	110.6	Y163 V211 V238	Y163-A501 HydrophobicContact CD1-CB 4.45Å; Y163-A501 HydrophobicContact CD2-CB 4.46Å; Y163-A501 HydrophobicContact CG-CB 4.1Å; V211-A501 HydrophobicContact CB-CB 4.27Å; V211-A501 HydrophobicContact CG1-CB 4.07Å; V211-A501 HydrophobicContact CG2-CB 4.07Å; V238-A501 HydrophobicContact CG1-CB 4.11Å
502	P	89.1	Confident	87.3	Confident	59 Å²	59	79.3 Å²	79.3	38%	0.383	42%	0.422	S	S	.	.			trans	-61.2	152.8	-178.1	25.5	-34.3	0	0	0	111.4	H212 L504	H212-P502 PolarHBondContact NE2-O 2.92Å; P502-L504 WeakPolarHBondContact CG-O 3.49Å; P502-L504 PolarHBondContact O-N 3.11Å
503	E	86.9	Confident	86.9	Confident	180 Å²	180	79.2 Å²	79.2	84%	0.841	42%	0.419	S	S	*	.	S	Bend	trans	-63.5	-26.8	178.8	-69.5	-169	169.1	0	0	113.4	H212	H212-E503 PolarHBondContact CE1-O 2.88Å
504	L	88.4	Confident	86.4	Confident	54 Å²	54	80 Å²	80	28%	0.283	43%	0.433	S	S	.	.	S	Bend	trans	-116.7	139.3	178.1	-68.2	163.1	0	0	0	109.1	P502 F506 E509 K512	P502-L504 WeakPolarHBondContact CG-O 3.49Å; P502-L504 PolarHBondContact O-N 3.11Å; L504-F506 VanDerWaalsContact C-N 3.28Å; L504-F506 PolarHBondContact O-N 3.43Å; L504-E509 WeakPolarHBondContact CD1-O 3.37Å; L504-K512 HydrophobicContact CD2-CG 4.02Å
505	P	86.7	Confident	85.5	Confident	10 Å²	10	78.8 Å²	78.8	7%	0.065	43%	0.43	C	S	.	.	S	Bend	trans	-67.5	-29	-178.3	25.3	-33	0	0	0	113	H212 P214 Y513	H212-P505 HydrophobicContact CB-CB 3.95Å; P214-P505 HydrophobicContact CG-CB 3.92Å; P214-P505 HydrophobicContact CG-CG 4.37Å; P505-Y513 HydrophobicContact CG-CD2 3.78Å
506	F	87.6	Confident	84.1	Confident	18 Å²	18	81.4 Å²	81.4	8%	0.079	45%	0.446	C	S	.	.	S	Bend	trans	-124.5	127.9	-179.4	-56	-63.6	0	0	0	111.2	P214 R216 N236 L504 G508 E509 Y513	P214-F506 HydrophobicContact CB-CE2 3.74Å; P214-F506 HydrophobicContact CB-CZ 4.03Å; P214-F506 HydrophobicContact CG-CE2 3.8Å; P214-F506 HydrophobicContact CG-CZ 3.67Å; R216-F506 VanDerWaalsContact CZ-CE1 3.46Å; N236-F506 WeakPolarHBondContact ND2-CE1 3.33Å; N236-F506 WeakPolarHBondContact ND2-CZ 3.4Å; L504-F506 VanDerWaalsContact C-N 3.28Å; L504-F506 PolarHBondContact O-N 3.43Å; F506-G508 PolarHBondContact O-N 3.49Å; F506-E509 HydrophobicContact CB-CB 4.42Å; F506-E509 VanDerWaalsContact CD2-OE2 3.3Å; F506-E509 WeakPolarHBondContact CD2-OE2 3.25Å; F506-Y513 HydrophobicContact CD2-CD2 4.07Å; F506-Y513 AromaticContact CD2-CE2 3.6Å; F506-Y513 HydrophobicContact CD2-CE2 3.6Å; F506-Y513 HydrophobicContact CE2-CD2 4.1Å; F506-Y513 AromaticContact CE2-CE2 3.84Å; F506-Y513 HydrophobicContact CE2-CE2 3.84Å
507	P	80.4	Confident	82.2	Confident	134 Å²	134	90 Å²	90	87%	0.87	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	124	175.4	27.8	-32.2	0	0	0	110
508	G	79.1	Confident	81.8	Confident	82 Å²	82	89 Å²	89	85%	0.845	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	-6.4	177.3	0	0	0	0	0	115.4	F506	F506-G508 PolarHBondContact O-N 3.49Å
509	E	83.8	Confident	81.2	Confident	76 Å²	76	86.3 Å²	86.3	36%	0.355	50%	0.5	S	S	.	.			trans	-111.1	132.4	175	-68.6	175.6	179.5	0	0	110.6	L504 F506 K511 Y513	L504-E509 WeakPolarHBondContact CD1-O 3.37Å; F506-E509 HydrophobicContact CB-CB 4.42Å; F506-E509 VanDerWaalsContact CD2-OE2 3.3Å; F506-E509 WeakPolarHBondContact CD2-OE2 3.25Å; E509-K511 PolarHBondContact O-N 3.07Å; E509-Y513 WeakPolarHBondContact OE2-CE2 3.28Å; E509-Y513 PolarHBondContact OE2-OH 3.42Å
510	N	80.3	Confident	80.6	Confident	160 Å²	160	89.8 Å²	89.8	86%	0.856	52%	0.521	S	S	*	.			trans	-86.9	14.1	179.2	-68.5	-20.3	0	0	0	113.2
511	K	83.1	Confident	80	Confident	100 Å²	100	87.5 Å²	87.5	44%	0.435	52%	0.516	S	S	.	.			trans	-98.6	131.7	-177.4	-166.8	170.9	-172.7	174.8	0	109.9	E193 E509 Y513	E193-K511 IonicContact OE1-NZ 3.16Å; E193-K511 PolarHBondContact OE1-NZ 3.44Å; E193-K511 VanDerWaalsContact OE1-NZ 3.11Å; E193-K511 WeakPolarHBondContact OE2-CE 3.49Å; E193-K511 IonicContact OE2-NZ 3.67Å; E193-K511 PolarHBondContact OE2-NZ 3.08Å; E509-K511 PolarHBondContact O-N 3.07Å; K511-Y513 HydrophobicContact CB-CD2 4.1Å; K511-Y513 HydrophobicContact CB-CE2 3.71Å; K511-Y513 HydrophobicContact CD-CD1 4.39Å; K511-Y513 HydrophobicContact CD-CE1 4.05Å; K511-Y513 HydrophobicContact CD-CE2 4.31Å; K511-Y513 HydrophobicContact CG-CD2 4.14Å; K511-Y513 HydrophobicContact CG-CE2 4.05Å; K511-Y513 HydrophobicContact CG-CG 4.39Å; K511-Y513 VanDerWaalsContact O-CD2 3.24Å; K511-Y513 WeakPolarHBondContact O-CD2 3.49Å
512	K	79.7	Confident	79.5	Confident	149 Å²	149	91.9 Å²	91.9	65%	0.648	54%	0.539	S	S	*	.			trans	-84.5	-13.8	-179.7	-71.2	-172.8	176.4	-174.7	0	114	L504 A514	L504-K512 HydrophobicContact CD2-CG 4.02Å; K512-A514 VanDerWaalsContact C-N 3.26Å; K512-A514 HydrophobicContact CB-CB 4.46Å; K512-A514 PolarHBondContact O-N 3.46Å
513	Y	82.3	Confident	78.8	Confident	29 Å²	29	94.1 Å²	94.1	11%	0.114	55%	0.55	C	S	.	.			trans	50.4	48.7	-178.7	-64.1	-89.3	0	0	0	112.2	E193 W194 P214 P505 F506 E509 K511	E193-Y513 HydrophobicContact CB-CD1 3.75Å; E193-Y513 HydrophobicContact CB-CE1 4.15Å; E193-Y513 WeakPolarHBondContact O-CD1 3.42Å; E193-Y513 WeakPolarHBondContact OE2-CD1 3.35Å; E193-Y513 WeakPolarHBondContact OE2-CE1 3.23Å; W194-Y513 WeakPolarHBondContact CB-O 3.36Å; P214-Y513 VanDerWaalsContact CB-CB 3.5Å; P214-Y513 HydrophobicContact CB-CD1 4Å; P214-Y513 HydrophobicContact CB-CD2 4.17Å; P214-Y513 HydrophobicContact CB-CG 3.63Å; P505-Y513 HydrophobicContact CG-CD2 3.78Å; F506-Y513 HydrophobicContact CD2-CD2 4.07Å; F506-Y513 AromaticContact CD2-CE2 3.6Å; F506-Y513 HydrophobicContact CD2-CE2 3.6Å; F506-Y513 HydrophobicContact CE2-CD2 4.1Å; F506-Y513 AromaticContact CE2-CE2 3.84Å; F506-Y513 HydrophobicContact CE2-CE2 3.84Å; E509-Y513 WeakPolarHBondContact OE2-CE2 3.28Å; E509-Y513 PolarHBondContact OE2-OH 3.42Å; K511-Y513 HydrophobicContact CB-CD2 4.1Å; K511-Y513 HydrophobicContact CB-CE2 3.71Å; K511-Y513 HydrophobicContact CD-CD1 4.39Å; K511-Y513 HydrophobicContact CD-CE1 4.05Å; K511-Y513 HydrophobicContact CD-CE2 4.31Å; K511-Y513 HydrophobicContact CG-CD2 4.14Å; K511-Y513 HydrophobicContact CG-CE2 4.05Å; K511-Y513 HydrophobicContact CG-CG 4.39Å; K511-Y513 VanDerWaalsContact O-CD2 3.24Å; K511-Y513 WeakPolarHBondContact O-CD2 3.49Å
514	A	78.6	Confident	78.3	Confident	55 Å²	55	87.9 Å²	87.9	46%	0.455	53%	0.529	S	S	.	.	S	Bend	trans	-132.6	152.2	-178.3	0	0	0	0	0	108.6	K512 V516	K512-A514 VanDerWaalsContact C-N 3.26Å; K512-A514 HydrophobicContact CB-CB 4.46Å; K512-A514 PolarHBondContact O-N 3.46Å; A514-V516 PolarHBondContact O-N 3.45Å
515	P	73.5	Confident	77.5	Confident	60 Å²	60	90.5 Å²	90.5	39%	0.39	55%	0.548	S	S	.	.			trans	-56.3	138.2	175.2	24.5	-33.6	0	0	0	109.8	W194 S517	W194-P515 HydrophobicContact CH2-CB 4.46Å; W194-P515 HydrophobicContact CZ2-CB 3.8Å; P515-S517 PolarHBondContact O-N 3.48Å
516	V	63.2	Low	76.7	Confident	123 Å²	123	97.3 Å²	97.3	75%	0.745	59%	0.588	S	S	*	*			trans	-66.8	108	174.4	-171.9	0	0	0	0	106.6	A514	A514-V516 PolarHBondContact O-N 3.45Å
517	S	49.2	Very low	75.7	Confident	181 Å²	181	104.5 Å²	104.5	100%	1.266	63%	0.634	S	S	*	*			trans	-77.8	0	-178.9	61.8	0	0	0	0	112.8	P515	P515-S517 PolarHBondContact O-N 3.48Å

Retrieved 517 of 517 residues in 644.5 ms (Link to these results)

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