A0A3Q0KP76_SCHMA Loading...

Beta-1,4-galactosyltransferase

Catalyses the transfer of galactose onto proteins or lipids.

AlphaFold DB , UniProt , Accession A0A3Q0KP76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 384 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	56.4	Low	238 Å²	238	126.2 Å²	126.2	100%	1.172	70%	0.698	S	S	*	*				0	18.4	0	-106.1	177.9	166.3	0	0	114.6
2	L	43.1	Very low	57.7	Low	140 Å²	140	123.9 Å²	123.9	73%	0.733	68%	0.675	S	S	*	*			trans	-124.2	5.9	-172.6	-94	155.8	0	0	0	117
3	F	46	Very low	59.2	Low	184 Å²	184	120.6 Å²	120.6	81%	0.807	67%	0.665	S	S	*	*	S	Bend	trans	-111.4	-10.5	179.7	-83.8	-76.8	0	0	0	115.9
4	T	51.6	Low	60.8	Low	119 Å²	119	119.9 Å²	119.9	73%	0.73	66%	0.659	S	S	*	*	S	Bend	trans	-92.7	-10.7	-178.8	48.2	0	0	0	0	114.5
5	S	50.8	Low	62.3	Low	93 Å²	93	119.4 Å²	119.4	65%	0.65	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-4	178.9	77.9	0	0	0	0	114.8
6	L	44.7	Very low	63.5	Low	99 Å²	99	118.5 Å²	118.5	52%	0.518	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.7	4.9	-174.6	-87.1	154.5	0	0	0	114.9	K12	L6-K12 PolarHBondContact O-NZ 3.25Å; L6-K12 VanDerWaalsContact O-NZ 3.14Å
7	I	56	Low	64.7	Low	128 Å²	128	115.6 Å²	115.6	66%	0.656	63%	0.634	S	S	*	*	S	Bend	trans	-91.4	-20.1	-177.1	-64.5	173.2	0	0	0	112.6	S9	I7-S9 PolarHBondContact O-N 3.03Å
8	N	60.4	Low	65.8	Low	149 Å²	149	114.9 Å²	114.9	80%	0.797	63%	0.629	S	S	*	*			trans	-97.3	30.4	-169.4	-69.6	-13.1	0	0	0	115.6
9	S	75	Confident	66.9	Low	54 Å²	54	116.9 Å²	116.9	38%	0.378	63%	0.631	S	S	.	*			trans	-96.1	123.6	172.8	178.4	0	0	0	0	111.2	I7 S11 K12 C13	I7-S9 PolarHBondContact O-N 3.03Å; S9-S11 PolarHBondContact O-N 3.07Å; S9-S11 VanDerWaalsContact O-N 3.11Å; S9-K12 PolarHBondContact O-N 3.29Å; S9-C13 PolarHBondContact O-N 3.07Å
10	P	77.2	Confident	67.8	Low	111 Å²	111	116.1 Å²	116.1	72%	0.721	63%	0.626	S	S	*	*	H	α-helix	trans	-52.8	-33.8	177.2	-24.4	31.3	0	0	0	113.4	K12 C13 L14	P10-K12 PolarHBondContact O-N 3.14Å; P10-C13 PolarHBondContact O-N 3.45Å; P10-L14 PolarHBondContact O-N 3.11Å; P10-L14 VanDerWaalsContact O-N 3.07Å
11	S	77	Confident	68.4	Low	73 Å²	73	115 Å²	115	51%	0.51	62%	0.619	S	S	.	*	H	α-helix	trans	-61.1	-40.7	178.2	163.6	0	0	0	0	112.5	S9 L14 L15	S9-S11 PolarHBondContact O-N 3.07Å; S9-S11 VanDerWaalsContact O-N 3.11Å; S11-L14 PolarHBondContact O-N 3.42Å; S11-L15 PolarHBondContact O-N 2.92Å
12	K	72	Confident	70.3	Confident	99 Å²	99	105.3 Å²	105.3	43%	0.43	58%	0.58	S	S	.	*	H	α-helix	trans	-71.8	-35.1	177.7	-76.8	-173.9	-178.3	176	0	112.4	L6 S9 P10 L14 L15 I16	L6-K12 PolarHBondContact O-NZ 3.25Å; L6-K12 VanDerWaalsContact O-NZ 3.14Å; S9-K12 PolarHBondContact O-N 3.29Å; P10-K12 PolarHBondContact O-N 3.14Å; K12-L14 VanDerWaalsContact C-N 3.32Å; K12-L15 PolarHBondContact O-N 2.97Å; K12-I16 VanDerWaalsContact O-CG1 3.31Å; K12-I16 WeakPolarHBondContact O-CG1 3.31Å; K12-I16 PolarHBondContact O-N 3.35Å
13	C	77.9	Confident	72	Confident	81 Å²	81	101.7 Å²	101.7	55%	0.547	56%	0.563	S	S	.	*	H	α-helix	trans	-62.5	-43.5	175.3	-157.2	0	0	0	0	110.5	S9 P10 L15 I16 V17	S9-C13 PolarHBondContact O-N 3.07Å; P10-C13 PolarHBondContact O-N 3.45Å; C13-L15 VanDerWaalsContact C-N 3.35Å; C13-L15 PolarHBondContact O-N 3.32Å; C13-I16 PolarHBondContact O-N 3.44Å; C13-V17 VanDerWaalsContact O-CG2 3.28Å; C13-V17 WeakPolarHBondContact O-CG2 3.28Å; C13-V17 PolarHBondContact O-N 3.44Å
14	L	81.5	Confident	73.3	Confident	110 Å²	110	97.1 Å²	97.1	58%	0.576	55%	0.551	S	S	*	*	H	α-helix	trans	-59.9	-43.7	173.6	-173	68.5	0	0	0	112	P10 S11 K12 V17 L18	P10-L14 PolarHBondContact O-N 3.11Å; P10-L14 VanDerWaalsContact O-N 3.07Å; S11-L14 PolarHBondContact O-N 3.42Å; K12-L14 VanDerWaalsContact C-N 3.32Å; L14-V17 PolarHBondContact O-N 2.88Å; L14-L18 HydrophobicContact CG-CD1 4.12Å; L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 3.28Å
15	L	82.5	Confident	74.2	Confident	113 Å²	113	99.1 Å²	99.1	59%	0.592	55%	0.546	S	S	*	.	H	α-helix	trans	-63.1	-41.7	177.4	-110.1	140.4	0	0	0	112.9	S11 K12 C13 L18 F19	S11-L15 PolarHBondContact O-N 2.92Å; K12-L15 PolarHBondContact O-N 2.97Å; C13-L15 VanDerWaalsContact C-N 3.35Å; C13-L15 PolarHBondContact O-N 3.32Å; L15-L18 PolarHBondContact O-N 2.9Å; L15-F19 WeakPolarHBondContact O-CB 3.34Å; L15-F19 PolarHBondContact O-N 3.34Å
16	I	82.1	Confident	75.3	Confident	105 Å²	105	99.4 Å²	99.4	54%	0.538	54%	0.544	S	S	.	.	H	α-helix	trans	-65.1	-43.1	176.1	-68.2	165.4	0	0	0	110.4	K12 C13 F19 L20	K12-I16 VanDerWaalsContact O-CG1 3.31Å; K12-I16 WeakPolarHBondContact O-CG1 3.31Å; K12-I16 PolarHBondContact O-N 3.35Å; C13-I16 PolarHBondContact O-N 3.44Å; I16-F19 PolarHBondContact O-N 2.93Å; I16-L20 HydrophobicContact CG2-CD1 3.99Å; I16-L20 HydrophobicContact CG2-CG 4.5Å; I16-L20 WeakPolarHBondContact O-CG 3.26Å; I16-L20 PolarHBondContact O-N 3.44Å
17	V	83.4	Confident	76.5	Confident	70 Å²	70	101.1 Å²	101.1	42%	0.424	55%	0.547	S	S	.	.	H	α-helix	trans	-62.5	-45.9	176.6	171.3	0	0	0	0	110.9	C13 L14 F19 L20 I21	C13-V17 VanDerWaalsContact O-CG2 3.28Å; C13-V17 WeakPolarHBondContact O-CG2 3.28Å; C13-V17 PolarHBondContact O-N 3.44Å; L14-V17 PolarHBondContact O-N 2.88Å; V17-F19 VanDerWaalsContact C-N 3.31Å; V17-F19 PolarHBondContact O-N 2.88Å; V17-L20 PolarHBondContact O-N 3.22Å; V17-I21 HydrophobicContact CG1-CD1 3.78Å; V17-I21 HydrophobicContact CG1-CG1 4.48Å; V17-I21 VanDerWaalsContact O-CG1 3.26Å; V17-I21 WeakPolarHBondContact O-CG1 3.41Å; V17-I21 PolarHBondContact O-N 3.1Å
18	L	85.7	Confident	76.6	Confident	103 Å²	103	104 Å²	104	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-62.2	-38	176.1	-71.5	171.6	0	0	0	112	L14 L15 I21 G22	L14-L18 HydrophobicContact CG-CD1 4.12Å; L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 3.28Å; L15-L18 PolarHBondContact O-N 2.9Å; L18-I21 PolarHBondContact O-N 3.41Å; L18-G22 PolarHBondContact O-N 3.13Å
19	F	86	Confident	76.4	Confident	152 Å²	152	102.3 Å²	102.3	67%	0.667	54%	0.541	S	S	*	.	H	α-helix	trans	-66.3	-42	176.2	-163.3	-94.1	0	0	0	112	L15 I16 V17 G22 T23	L15-F19 WeakPolarHBondContact O-CB 3.34Å; L15-F19 PolarHBondContact O-N 3.34Å; I16-F19 PolarHBondContact O-N 2.93Å; V17-F19 VanDerWaalsContact C-N 3.31Å; V17-F19 PolarHBondContact O-N 2.88Å; F19-G22 PolarHBondContact O-N 3.28Å; F19-T23 HydrophobicContact CD1-CG2 3.99Å; F19-T23 HydrophobicContact CE1-CG2 3.75Å; F19-T23 HydrophobicContact CZ-CG2 4.34Å; F19-T23 WeakPolarHBondContact O-CG2 3.33Å; F19-T23 PolarHBondContact O-N 3.28Å; F19-T23 PolarHBondContact O-OG1 3.45Å
20	L	84.6	Confident	75.2	Confident	101 Å²	101	107.2 Å²	107.2	53%	0.529	55%	0.552	S	S	.	*	H	α-helix	trans	-66.3	-37.4	175.8	-71.5	168.3	0	0	0	112.6	I16 V17 T23 T24	I16-L20 HydrophobicContact CG2-CD1 3.99Å; I16-L20 HydrophobicContact CG2-CG 4.5Å; I16-L20 WeakPolarHBondContact O-CG 3.26Å; I16-L20 PolarHBondContact O-N 3.44Å; V17-L20 PolarHBondContact O-N 3.22Å; L20-T23 PolarHBondContact O-OG1 2.89Å; L20-T23 VanDerWaalsContact O-OG1 3.13Å; L20-T24 WeakPolarHBondContact O-CB 3.41Å; L20-T24 WeakPolarHBondContact O-CG2 3.26Å; L20-T24 PolarHBondContact O-N 2.94Å; L20-T24 VanDerWaalsContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 3.46Å
21	I	81.5	Confident	73.8	Confident	93 Å²	93	104.8 Å²	104.8	48%	0.477	54%	0.538	S	S	.	.	H	α-helix	trans	-65.8	-43.1	172.7	-66.1	165.2	0	0	0	110	V17 L18 T24 Y25	V17-I21 HydrophobicContact CG1-CD1 3.78Å; V17-I21 HydrophobicContact CG1-CG1 4.48Å; V17-I21 VanDerWaalsContact O-CG1 3.26Å; V17-I21 WeakPolarHBondContact O-CG1 3.41Å; V17-I21 PolarHBondContact O-N 3.1Å; L18-I21 PolarHBondContact O-N 3.41Å; I21-T24 WeakPolarHBondContact CA-OG1 3.39Å; I21-T24 PolarHBondContact O-OG1 3.31Å; I21-Y25 WeakPolarHBondContact O-CB 3.41Å; I21-Y25 PolarHBondContact O-N 3.01Å
22	G	78.5	Confident	72.2	Confident	34 Å²	34	103.9 Å²	103.9	35%	0.351	54%	0.54	S	S	.	.	H	α-helix	trans	-61.3	-47.5	177.1	0	0	0	0	0	112.9	L18 F19 Y25 V26	L18-G22 PolarHBondContact O-N 3.13Å; F19-G22 PolarHBondContact O-N 3.28Å; G22-Y25 PolarHBondContact O-N 2.97Å; G22-V26 WeakPolarHBondContact O-CG2 3.4Å; G22-V26 PolarHBondContact O-N 2.92Å
23	T	78.7	Confident	70.6	Confident	64 Å²	64	107.8 Å²	107.8	39%	0.393	56%	0.557	S	S	.	*	H	α-helix	trans	-67.2	-39.3	-179.5	55	0	0	0	0	112.3	F19 L20 V26 F27	F19-T23 HydrophobicContact CD1-CG2 3.99Å; F19-T23 HydrophobicContact CE1-CG2 3.75Å; F19-T23 HydrophobicContact CZ-CG2 4.34Å; F19-T23 WeakPolarHBondContact O-CG2 3.33Å; F19-T23 PolarHBondContact O-N 3.28Å; F19-T23 PolarHBondContact O-OG1 3.45Å; L20-T23 PolarHBondContact O-OG1 2.89Å; L20-T23 VanDerWaalsContact O-OG1 3.13Å; T23-V26 PolarHBondContact O-N 2.76Å; T23-F27 WeakPolarHBondContact O-CB 3.48Å; T23-F27 PolarHBondContact O-N 3.35Å
24	T	72.5	Confident	68.4	Low	89 Å²	89	111.4 Å²	111.4	55%	0.546	56%	0.563	S	S	.	*	H	α-helix	trans	-64.1	-40.1	174.1	45.9	0	0	0	0	111.9	L20 I21 F27 Y28	L20-T24 WeakPolarHBondContact O-CB 3.41Å; L20-T24 WeakPolarHBondContact O-CG2 3.26Å; L20-T24 PolarHBondContact O-N 2.94Å; L20-T24 VanDerWaalsContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 3.46Å; I21-T24 WeakPolarHBondContact CA-OG1 3.39Å; I21-T24 PolarHBondContact O-OG1 3.31Å; T24-F27 PolarHBondContact O-N 3.45Å; T24-Y28 WeakPolarHBondContact O-CB 3.47Å; T24-Y28 PolarHBondContact O-N 3.44Å
25	Y	70.8	Confident	66	Low	160 Å²	160	114.9 Å²	114.9	63%	0.627	57%	0.574	S	S	*	*	H	α-helix	trans	-66.7	-42	177.2	-143.6	-91.8	0	0	0	112.5	I21 G22 Y28 L29	I21-Y25 WeakPolarHBondContact O-CB 3.41Å; I21-Y25 PolarHBondContact O-N 3.01Å; G22-Y25 PolarHBondContact O-N 2.97Å; Y25-Y28 WeakPolarHBondContact O-CB 3.38Å; Y25-Y28 PolarHBondContact O-N 3.4Å; Y25-L29 HydrophobicContact CD1-CD1 3.92Å; Y25-L29 HydrophobicContact CD1-CG 4.23Å; Y25-L29 HydrophobicContact CE1-CD1 4.26Å; Y25-L29 HydrophobicContact CE1-CG 4.45Å; Y25-L29 WeakPolarHBondContact O-CG 3.43Å; Y25-L29 PolarHBondContact O-N 3.26Å
26	V	73.3	Confident	63.4	Low	99 Å²	99	117.6 Å²	117.6	60%	0.6	58%	0.584	S	S	*	*	H	α-helix	trans	-64.4	-40.7	175	173.1	0	0	0	0	110.9	G22 T23 Y28 L29 W30	G22-V26 WeakPolarHBondContact O-CG2 3.4Å; G22-V26 PolarHBondContact O-N 2.92Å; T23-V26 PolarHBondContact O-N 2.76Å; V26-Y28 VanDerWaalsContact C-N 3.33Å; V26-Y28 PolarHBondContact O-N 2.9Å; V26-L29 PolarHBondContact O-N 2.88Å; V26-W30 VanDerWaalsContact O-CB 3.27Å; V26-W30 WeakPolarHBondContact O-CB 3.48Å; V26-W30 PolarHBondContact O-N 2.82Å
27	F	69.3	Low	60.8	Low	136 Å²	136	117.1 Å²	117.1	60%	0.596	59%	0.586	S	S	*	*	H	α-helix	trans	-64.9	-38.1	174.9	-144.5	-88.1	0	0	0	111.6	T23 T24 W30 S31	T23-F27 WeakPolarHBondContact O-CB 3.48Å; T23-F27 PolarHBondContact O-N 3.35Å; T24-F27 PolarHBondContact O-N 3.45Å; F27-W30 HydrophobicContact CZ-CZ3 4.47Å; F27-W30 PolarHBondContact O-N 3.06Å; F27-S31 VanDerWaalsContact O-CB 3.27Å; F27-S31 WeakPolarHBondContact O-CB 3.27Å; F27-S31 PolarHBondContact O-N 3.39Å; F27-S31 PolarHBondContact O-OG 2.86Å; F27-S31 VanDerWaalsContact O-OG 3.06Å
28	Y	57.9	Low	58.1	Low	188 Å²	188	120.7 Å²	120.7	74%	0.737	60%	0.603	S	S	*	*	H	α-helix	trans	-63.5	-47.7	174.9	-138.5	-90.8	0	0	0	111.4	T24 Y25 V26 W30 S31 G32	T24-Y28 WeakPolarHBondContact O-CB 3.47Å; T24-Y28 PolarHBondContact O-N 3.44Å; Y25-Y28 WeakPolarHBondContact O-CB 3.38Å; Y25-Y28 PolarHBondContact O-N 3.4Å; V26-Y28 VanDerWaalsContact C-N 3.33Å; V26-Y28 PolarHBondContact O-N 2.9Å; Y28-W30 VanDerWaalsContact C-N 3.33Å; Y28-W30 PolarHBondContact O-N 2.93Å; Y28-S31 WeakPolarHBondContact CA-OG 3.27Å; Y28-S31 PolarHBondContact O-N 3.38Å; Y28-S31 PolarHBondContact O-OG 3.5Å; Y28-G32 PolarHBondContact O-N 3.35Å
29	L	56.1	Low	55.2	Low	113 Å²	113	120.6 Å²	120.6	59%	0.592	60%	0.602	S	S	*	*	H	α-helix	trans	-63.1	-37.7	175.4	-71.8	171.9	0	0	0	112.6	Y25 V26 K33	Y25-L29 HydrophobicContact CD1-CD1 3.92Å; Y25-L29 HydrophobicContact CD1-CG 4.23Å; Y25-L29 HydrophobicContact CE1-CD1 4.26Å; Y25-L29 HydrophobicContact CE1-CG 4.45Å; Y25-L29 WeakPolarHBondContact O-CG 3.43Å; Y25-L29 PolarHBondContact O-N 3.26Å; V26-L29 PolarHBondContact O-N 2.88Å; L29-K33 PolarHBondContact O-N 3.37Å
30	W	51.1	Low	52.2	Low	158 Å²	158	117.9 Å²	117.9	60%	0.598	60%	0.6	S	S	*	*	H	α-helix	trans	-71.7	-41	178.3	-169.2	60.4	0	0	0	112.1	V26 F27 Y28 G32 K33	V26-W30 VanDerWaalsContact O-CB 3.27Å; V26-W30 WeakPolarHBondContact O-CB 3.48Å; V26-W30 PolarHBondContact O-N 2.82Å; F27-W30 HydrophobicContact CZ-CZ3 4.47Å; F27-W30 PolarHBondContact O-N 3.06Å; Y28-W30 VanDerWaalsContact C-N 3.33Å; Y28-W30 PolarHBondContact O-N 2.93Å; W30-G32 VanDerWaalsContact C-N 3.35Å; W30-K33 PolarHBondContact O-N 3.33Å
31	S	47.8	Very low	49.4	Very low	60 Å²	60	118.7 Å²	118.7	42%	0.42	61%	0.609	S	S	.	*	H	α-helix	trans	-67	-34	173.5	69	0	0	0	0	112.6	F27 Y28 K33 F34	F27-S31 VanDerWaalsContact O-CB 3.27Å; F27-S31 WeakPolarHBondContact O-CB 3.27Å; F27-S31 PolarHBondContact O-N 3.39Å; F27-S31 PolarHBondContact O-OG 2.86Å; F27-S31 VanDerWaalsContact O-OG 3.06Å; Y28-S31 WeakPolarHBondContact CA-OG 3.27Å; Y28-S31 PolarHBondContact O-N 3.38Å; Y28-S31 PolarHBondContact O-OG 3.5Å; S31-K33 VanDerWaalsContact C-N 3.27Å; S31-K33 PolarHBondContact O-N 2.87Å; S31-F34 PolarHBondContact O-N 3.32Å
32	G	43.2	Very low	46.7	Very low	54 Å²	54	120.7 Å²	120.7	56%	0.557	62%	0.615	S	S	*	*	H	α-helix	trans	-66.8	-23.8	175.6	0	0	0	0	0	114.1	Y28 W30 F34	Y28-G32 PolarHBondContact O-N 3.35Å; W30-G32 VanDerWaalsContact C-N 3.35Å; G32-F34 VanDerWaalsContact C-N 3.32Å
33	K	37.6	Very low	44.1	Very low	181 Å²	181	122.8 Å²	122.8	79%	0.787	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-17.6	174	-92	-171.6	174.2	-176.5	0	113.8	L29 W30 S31	L29-K33 PolarHBondContact O-N 3.37Å; W30-K33 PolarHBondContact O-N 3.33Å; S31-K33 VanDerWaalsContact C-N 3.27Å; S31-K33 PolarHBondContact O-N 2.87Å
34	F	32.7	Very low	41.5	Very low	156 Å²	156	123.2 Å²	123.2	68%	0.684	62%	0.619	S	S	*	*	S	Bend	trans	-96.2	100.8	177.1	-90	-85.7	0	0	0	110.2	S31 G32	S31-F34 PolarHBondContact O-N 3.32Å; G32-F34 VanDerWaalsContact C-N 3.32Å
35	K	30.8	Very low	39.2	Very low	183 Å²	183	123 Å²	123	80%	0.796	62%	0.615	S	S	*	*			trans	94.4	53.5	171.7	-55.9	177.1	176.5	177.5	0	116.7	T37	K35-T37 PolarHBondContact O-N 3.2Å
36	E	28.8	Very low	37.2	Very low	171 Å²	171	119 Å²	119	80%	0.799	60%	0.599	S	S	*	*			trans	-66.8	82.4	134.4	-82.8	-177.1	158.7	0	0	108.2	N38	E36-N38 PolarHBondContact O-N 2.89Å
37	T	27	Very low	34.8	Very low	95 Å²	95	116.9 Å²	116.9	58%	0.583	59%	0.592	S	S	*	*			trans	-70.5	109.4	153	51.9	0	0	0	0	105.4	K35 N39	K35-T37 PolarHBondContact O-N 3.2Å; T37-N39 PolarHBondContact O-N 3.41Å
38	N	26.6	Very low	32.8	Very low	145 Å²	145	112.7 Å²	112.7	78%	0.775	58%	0.58	S	S	*	*			trans	-59.8	63.1	171.8	-81	-23.9	0	0	0	111.7	E36 P40	E36-N38 PolarHBondContact O-N 2.89Å; N38-P40 VanDerWaalsContact O-CD 3.24Å; N38-P40 WeakPolarHBondContact O-CD 3.28Å
39	N	24.4	Very low	31.1	Very low	100 Å²	100	108.7 Å²	108.7	54%	0.535	57%	0.57	S	S	.	*			trans	-95.2	101.6	167.2	-70.2	-23.3	0	0	0	105.9	T37 V41	T37-N39 PolarHBondContact O-N 3.41Å; N39-V41 PolarHBondContact O-N 3.16Å
40	P	24	Very low	29.8	Very low	96 Å²	96	108.1 Å²	108.1	62%	0.623	57%	0.568	S	S	*	*			trans	-56.9	118.6	172.8	22	-30.8	0	0	0	109	N38 F42	N38-P40 VanDerWaalsContact O-CD 3.24Å; N38-P40 WeakPolarHBondContact O-CD 3.28Å; P40-F42 HydrophobicContact CB-CE2 4.1Å; P40-F42 HydrophobicContact CB-CZ 4.29Å; P40-F42 HydrophobicContact CG-CE2 3.91Å; P40-F42 HydrophobicContact CG-CZ 4.22Å; P40-F42 WeakPolarHBondContact O-CD2 3.22Å; P40-F42 PolarHBondContact O-N 2.71Å
41	V	24.3	Very low	28.5	Very low	118 Å²	118	107.1 Å²	107.1	72%	0.715	57%	0.574	S	S	*	*			trans	-78.2	108	170.9	178.5	0	0	0	0	106.7	N39 V43	N39-V41 PolarHBondContact O-N 3.16Å; V41-V43 HydrophobicContact CG1-CG2 3.93Å; V41-V43 PolarHBondContact O-N 3.27Å
42	F	24.9	Very low	27.4	Very low	135 Å²	135	109 Å²	109	59%	0.592	59%	0.585	S	S	*	*			trans	-82	108.1	170	-64.5	-86.3	0	0	0	108.3	P40	P40-F42 HydrophobicContact CB-CE2 4.1Å; P40-F42 HydrophobicContact CB-CZ 4.29Å; P40-F42 HydrophobicContact CG-CE2 3.91Å; P40-F42 HydrophobicContact CG-CZ 4.22Å; P40-F42 WeakPolarHBondContact O-CD2 3.22Å; P40-F42 PolarHBondContact O-N 2.71Å
43	V	24.9	Very low	26.6	Very low	78 Å²	78	114.7 Å²	114.7	47%	0.473	60%	0.595	S	S	.	*			trans	-95.2	102.6	168	-178.3	0	0	0	0	107.2	V41 N45	V41-V43 HydrophobicContact CG1-CG2 3.93Å; V41-V43 PolarHBondContact O-N 3.27Å; V43-N45 PolarHBondContact O-N 3.24Å
44	I	24.4	Very low	25.9	Very low	72 Å²	72	111.4 Å²	111.4	37%	0.369	59%	0.594	S	S	.	*			trans	-85.7	112.2	172.9	-58	177.9	0	0	0	107.4	Y46 H180 L235	I44-Y46 HydrophobicContact CG2-CD2 4.17Å; I44-Y46 HydrophobicContact CG2-CE2 3.71Å; I44-H180 WeakPolarHBondContact CD1-ND1 3.27Å; I44-L235 HydrophobicContact CD1-CD1 4.17Å
45	N	23.3	Very low	25.5	Very low	85 Å²	85	111.7 Å²	111.7	46%	0.455	60%	0.598	S	S	.	*			trans	-99.8	97	-172.2	-153.5	-7.6	0	0	0	108.6	V43 A47 K84	V43-N45 PolarHBondContact O-N 3.24Å; N45-A47 PolarHBondContact O-N 3.32Å; N45-A47 VanDerWaalsContact O-N 3.08Å; N45-K84 PolarHBondContact ND2-O 3.43Å
46	Y	28.1	Very low	25.3	Very low	76 Å²	76	110.2 Å²	110.2	30%	0.298	60%	0.598	S	S	.	*			trans	-78.9	89.2	172.6	-69.6	-78.9	0	0	0	110.1	I44 H180	I44-Y46 HydrophobicContact CG2-CD2 4.17Å; I44-Y46 HydrophobicContact CG2-CE2 3.71Å; Y46-H180 PolarHBondContact OH-CD2 3.44Å; Y46-H180 VanDerWaalsContact OH-CD2 3.3Å; Y46-H180 PolarHBondContact OH-CE1 3.06Å; Y46-H180 VanDerWaalsContact OH-CG 3.27Å; Y46-H180 PolarHBondContact OH-ND1 3.49Å; Y46-H180 PolarHBondContact OH-NE2 3.4Å
47	A	23.6	Very low	25.2	Very low	55 Å²	55	112.4 Å²	112.4	46%	0.455	60%	0.599	S	S	.	*			trans	-93.8	76.9	156.2	0	0	0	0	0	108	N45	N45-A47 PolarHBondContact O-N 3.32Å; N45-A47 VanDerWaalsContact O-N 3.08Å
48	S	27	Very low	25.6	Very low	47 Å²	47	110.7 Å²	110.7	33%	0.329	59%	0.59	S	S	.	*			trans	-88.4	106.9	165	-179.5	0	0	0	0	107.5	D50 H187	S48-D50 PolarHBondContact O-N 3.25Å; S48-H187 VanDerWaalsContact CB-CE1 3.46Å; S48-H187 WeakPolarHBondContact CB-CE1 3.29Å
49	I	23.8	Very low	25.6	Very low	104 Å²	104	112 Å²	112	53%	0.533	60%	0.597	S	S	.	*			trans	-59	121.2	158.5	-67.2	166.7	0	0	0	104.9	N51 P88	I49-N51 PolarHBondContact O-N 2.68Å; I49-P88 HydrophobicContact CD1-CG 4.32Å; I49-P88 HydrophobicContact CG1-CG 3.96Å
50	D	27.5	Very low	25.7	Very low	102 Å²	102	118 Å²	118	55%	0.545	61%	0.612	S	S	.	*			trans	-54.7	85	167.4	-77.3	-55.1	0	0	0	108.6	S48 P52	S48-D50 PolarHBondContact O-N 3.25Å; D50-P52 WeakPolarHBondContact O-CD 3.24Å
51	N	24.1	Very low	26	Very low	136 Å²	136	121.4 Å²	121.4	73%	0.727	62%	0.624	S	S	*	*			trans	-94.3	101.9	162	-144.3	2.2	0	0	0	104.1	I49 F53	I49-N51 PolarHBondContact O-N 2.68Å; N51-F53 PolarHBondContact O-N 3.4Å
52	P	25.4	Very low	26.1	Very low	101 Å²	101	125.1 Å²	125.1	66%	0.656	63%	0.631	S	S	*	*			trans	-62.3	115.7	-175.5	25.6	-31.3	0	0	0	106.8	D50 S54	D50-P52 WeakPolarHBondContact O-CD 3.24Å; P52-S54 VanDerWaalsContact C-N 3.29Å; P52-S54 PolarHBondContact O-N 3.14Å
53	F	25.3	Very low	26.2	Very low	173 Å²	173	126.1 Å²	126.1	76%	0.759	63%	0.632	S	S	*	*			trans	-50.1	107.7	157.1	-83	-85.4	0	0	0	106.2	N51 E55 R240	N51-F53 PolarHBondContact O-N 3.4Å; F53-E55 VanDerWaalsContact C-N 3.25Å; F53-E55 PolarHBondContact O-N 3.31Å; F53-R240 HydrophobicContact CZ-CG 4.32Å
54	S	22.4	Very low	26.1	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	65%	0.648	S	S	*	*	S	Bend	trans	-68	90.3	173.5	51	0	0	0	0	106.7	P52	P52-S54 VanDerWaalsContact C-N 3.29Å; P52-S54 PolarHBondContact O-N 3.14Å
55	E	24	Very low	26.2	Very low	161 Å²	161	132.5 Å²	132.5	75%	0.752	66%	0.664	S	S	*	*			trans	150.3	129.2	143.8	-86.3	-176.4	165.5	0	0	111.7	F53	F53-E55 VanDerWaalsContact C-N 3.25Å; F53-E55 PolarHBondContact O-N 3.31Å
56	L	27.5	Very low	26.6	Very low	153 Å²	153	133.5 Å²	133.5	80%	0.801	67%	0.673	S	S	*	*			trans	71.1	118.6	150.1	-57.7	153.4	0	0	0	116.2
57	R	27.4	Very low	26.5	Very low	216 Å²	216	132.4 Å²	132.4	82%	0.815	69%	0.685	S	S	*	*	S	Bend	cis	-150.7	125.8	16	-76.7	176.5	172.8	171.7	-2.3	108.5
58	C	34.1	Very low	26.6	Very low	60 Å²	60	137 Å²	137	41%	0.405	70%	0.697	S	S	.	*	S	Bend	trans	-166.4	103.8	140.1	-95.5	0	0	0	0	105.7	R60 C155	C58-R60 PolarHBondContact O-N 2.99Å; C58-C155 HydrophobicContact CB-CB 3.54Å; C58-C155 WeakPolarHBondContact SG-CB 2.93Å
59	N	26.7	Very low	26.6	Very low	171 Å²	171	140.3 Å²	140.3	91%	0.914	72%	0.715	S	S	*	*			trans	-56.2	126.2	-169.5	-92.1	-25.6	0	0	0	112
60	R	27.1	Very low	26.6	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	73%	0.729	S	S	*	*			trans	-65.7	140.5	171	-71.3	175.4	173.2	173	-2.3	109.3	C58	C58-R60 PolarHBondContact O-N 2.99Å
61	L	29.9	Very low	26.8	Very low	166 Å²	166	145 Å²	145	87%	0.869	74%	0.736	S	S	*	*			trans	160.3	75.8	137.9	-82.9	164.8	0	0	0	107.9
62	K	26	Very low	26.9	Very low	197 Å²	197	144.2 Å²	144.2	86%	0.857	74%	0.738	S	S	*	*			trans	158.3	81.7	154.4	-88.3	164.1	-174.7	-174.6	0	110.6
63	Y	28.1	Very low	27	Very low	156 Å²	156	146.8 Å²	146.8	61%	0.612	75%	0.747	S	S	*	*			trans	-139.2	139.8	164.2	-66.4	-73	0	0	0	110.1	G154	Y63-G154 VanDerWaalsContact CE2-O 3.22Å; Y63-G154 WeakPolarHBondContact CE2-O 3.11Å; Y63-G154 VanDerWaalsContact CZ-C 3.43Å; Y63-G154 WeakPolarHBondContact OH-CA 3.28Å; Y63-G154 PolarHBondContact OH-O 3.04Å
64	T	23.5	Very low	27	Very low	134 Å²	134	147.4 Å²	147.4	82%	0.822	75%	0.749	S	S	*	*			trans	-122.8	131.7	172.7	-4.1	0	0	0	0	108.1	V66	T64-V66 WeakPolarHBondContact O-CG2 3.36Å
65	Q	26.3	Very low	27.2	Very low	150 Å²	150	148.7 Å²	148.7	70%	0.701	75%	0.752	S	S	*	*			trans	-69.8	132.2	-176.4	-172.5	177.6	10.9	0	0	111.1
66	V	30.4	Very low	27.4	Very low	105 Å²	105	147.8 Å²	147.8	64%	0.636	75%	0.751	S	S	*	*			trans	-128.4	68	-177.2	-149.5	0	0	0	0	111.4	T64 Y97	T64-V66 WeakPolarHBondContact O-CG2 3.36Å; V66-Y97 HydrophobicContact CG1-CE2 4.5Å
67	G	26.4	Very low	27.3	Very low	54 Å²	54	149.9 Å²	149.9	56%	0.557	75%	0.754	S	S	*	*			trans	91.8	161.4	159.9	0	0	0	0	0	118
68	H	24.9	Very low	27.3	Very low	152 Å²	152	150.5 Å²	150.5	70%	0.704	76%	0.757	S	S	*	*			trans	-111.4	126.6	-172.1	-64.9	-82.7	0	0	0	111.8
69	V	28.3	Very low	26.9	Very low	115 Å²	115	153.8 Å²	153.8	70%	0.697	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-86.8	117.5	168.5	-179.7	0	0	0	0	109.1
70	K	23.9	Very low	27	Very low	190 Å²	190	154.3 Å²	154.3	83%	0.826	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-73.9	134	174.2	-74.3	-176	177.4	-179.9	0	110.6
71	T	30.5	Very low	27.1	Very low	114 Å²	114	148.7 Å²	148.7	70%	0.699	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-59.7	134.8	172.5	47.9	0	0	0	0	110.9	N73	T71-N73 PolarHBondContact O-N 2.67Å; T71-N73 PolarHBondContact O-OD1 3.33Å
72	P	26.1	Very low	26.9	Very low	120 Å²	120	148 Å²	148	78%	0.779	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-67.6	129.1	174.7	-17.2	29.6	0	0	0	111.5	K74	P72-K74 VanDerWaalsContact C-N 3.28Å; P72-K74 PolarHBondContact O-N 3.01Å
73	N	29.1	Very low	27	Very low	156 Å²	156	147 Å²	147	83%	0.834	75%	0.745	S	S	*	*	S	Bend	trans	-84	12.9	-179.1	-70.1	0.5	0	0	0	114.4	T71	T71-N73 PolarHBondContact O-N 2.67Å; T71-N73 PolarHBondContact O-OD1 3.33Å
74	K	25.3	Very low	26.7	Very low	186 Å²	186	146.7 Å²	146.7	81%	0.809	75%	0.747	S	S	*	*	S	Bend	trans	-134.2	129.5	177.6	-78.9	-171.6	176.8	-179.1	0	112.1	P72	P72-K74 VanDerWaalsContact C-N 3.28Å; P72-K74 PolarHBondContact O-N 3.01Å
75	V	25.9	Very low	26.9	Very low	139 Å²	139	147.9 Å²	147.9	84%	0.842	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-71.9	125.8	-179.4	-174.1	0	0	0	0	109.4
76	L	27.4	Very low	26.8	Very low	141 Å²	141	146.9 Å²	146.9	74%	0.738	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-83.1	127.3	176.8	-71.7	163.1	0	0	0	110.3
77	F	25.3	Very low	26.6	Very low	197 Å²	197	146.8 Å²	146.8	86%	0.864	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-61.6	164.2	171.7	-100.2	-103	0	0	0	112.3
78	W	28.6	Very low	26.8	Very low	230 Å²	230	148.9 Å²	148.9	87%	0.871	74%	0.741	S	S	*	*	S	Bend		-145.3	7.6	-60.7	-146.2	85.3	0	0	0	112
79	P	25.9	Very low	26.8	Very low	129 Å²	129	147.2 Å²	147.2	84%	0.838	73%	0.733	S	S	*	*	S	Bend	trans	-97	10.6	168.1	-5	24.1	0	0	0	117.2
80	Q	27.2	Very low	26.7	Very low	181 Å²	181	145.8 Å²	145.8	85%	0.846	73%	0.728	S	S	*	*	S	Bend	trans	-128.6	-12.3	-172.2	-68.9	-154.4	-6.4	0	0	119.9
81	I	30.7	Very low	26.8	Very low	110 Å²	110	140.9 Å²	140.9	56%	0.564	71%	0.714	S	S	*	*			trans	-145.4	110.1	-172	-47.2	175.9	0	0	0	112.8	Y83	I81-Y83 HydrophobicContact CB-CD2 3.59Å; I81-Y83 HydrophobicContact CB-CE2 3.49Å; I81-Y83 VanDerWaalsContact CB-CE2 3.49Å; I81-Y83 HydrophobicContact CD1-CE2 3.62Å; I81-Y83 HydrophobicContact CG1-CE2 4.1Å; I81-Y83 HydrophobicContact CG2-CD1 4.26Å; I81-Y83 HydrophobicContact CG2-CD2 3.23Å; I81-Y83 HydrophobicContact CG2-CE1 4.27Å; I81-Y83 HydrophobicContact CG2-CE2 3.25Å; I81-Y83 HydrophobicContact CG2-CG 3.77Å; I81-Y83 PolarHBondContact O-N 3.08Å; I81-Y83 VanDerWaalsContact O-N 3.16Å
82	Q	25	Very low	26.6	Very low	153 Å²	153	140.9 Å²	140.9	72%	0.715	71%	0.71	S	S	*	*			trans	-73.8	92.5	159.2	-75.8	-168.2	-34.9	0	0	108.5
83	Y	27.5	Very low	26.6	Very low	174 Å²	174	140.9 Å²	140.9	68%	0.682	70%	0.698	S	S	*	*			trans	-86.7	128.6	174.3	-87.2	-80.4	0	0	0	111.6	I81	I81-Y83 HydrophobicContact CB-CD2 3.59Å; I81-Y83 HydrophobicContact CB-CE2 3.49Å; I81-Y83 VanDerWaalsContact CB-CE2 3.49Å; I81-Y83 HydrophobicContact CD1-CE2 3.62Å; I81-Y83 HydrophobicContact CG1-CE2 4.1Å; I81-Y83 HydrophobicContact CG2-CD1 4.26Å; I81-Y83 HydrophobicContact CG2-CD2 3.23Å; I81-Y83 HydrophobicContact CG2-CE1 4.27Å; I81-Y83 HydrophobicContact CG2-CE2 3.25Å; I81-Y83 HydrophobicContact CG2-CG 3.77Å; I81-Y83 PolarHBondContact O-N 3.08Å; I81-Y83 VanDerWaalsContact O-N 3.16Å
84	K	23	Very low	26.4	Very low	150 Å²	150	137.7 Å²	137.7	65%	0.652	68%	0.68	S	S	*	*			trans	-150.8	140.2	137.5	-153.5	167.9	-177.8	-179.7	0	107.3	N45	N45-K84 PolarHBondContact ND2-O 3.43Å
85	Y	26.2	Very low	26.5	Very low	159 Å²	159	131.8 Å²	131.8	62%	0.624	66%	0.659	S	S	*	*			trans	88	80.3	-171.9	-44.1	-61.7	0	0	0	115.5
86	T	25	Very low	26.4	Very low	129 Å²	129	128.2 Å²	128.2	79%	0.791	64%	0.639	S	S	*	*			trans	-53.5	127.1	152.1	43	0	0	0	0	110.7
87	L	26.9	Very low	26.4	Very low	104 Å²	104	131.4 Å²	131.4	55%	0.545	64%	0.643	S	S	.	*			trans	-54.7	133.6	168.5	-70.8	162.9	0	0	0	110.4	Q89	L87-Q89 VanDerWaalsContact C-N 3.28Å
88	P	30.1	Very low	26.7	Very low	98 Å²	98	127.7 Å²	127.7	64%	0.636	64%	0.641	S	S	*	*	S	Bend	trans	-80.2	-4	170.9	28.7	-30.7	0	0	0	113.8	I49	I49-P88 HydrophobicContact CD1-CG 4.32Å; I49-P88 HydrophobicContact CG1-CG 3.96Å
89	Q	24.6	Very low	26.9	Very low	117 Å²	117	118.6 Å²	118.6	55%	0.547	61%	0.613	S	S	.	*	S	Bend	trans	-132.5	139.9	179.6	-65.3	-172.8	8.9	0	0	113	L87	L87-Q89 VanDerWaalsContact C-N 3.28Å
90	S	25.6	Very low	27.3	Very low	85 Å²	85	117.6 Å²	117.6	59%	0.594	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-68.6	132.1	176.3	47.8	0	0	0	0	111
91	V	27.5	Very low	27.8	Very low	86 Å²	86	118.4 Å²	118.4	52%	0.521	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-81.9	122.8	172	-179.4	0	0	0	0	109	F93	V91-F93 HydrophobicContact CB-CE2 4.06Å; V91-F93 HydrophobicContact CB-CZ 4.21Å; V91-F93 HydrophobicContact CG1-CE1 4.37Å; V91-F93 HydrophobicContact CG1-CE2 4.1Å; V91-F93 HydrophobicContact CG1-CZ 3.92Å; V91-F93 WeakPolarHBondContact O-CD2 3.46Å; V91-F93 VanDerWaalsContact O-CE2 3.28Å; V91-F93 WeakPolarHBondContact O-CE2 3.39Å
92	D	24.7	Very low	28	Very low	115 Å²	115	121 Å²	121	62%	0.615	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-72.6	135.4	175.3	-70.1	-37.4	0	0	0	111.1
93	F	27.1	Very low	28.7	Very low	119 Å²	119	119.3 Å²	119.3	52%	0.522	61%	0.61	S	S	.	*			trans	-121.8	136	175.6	-63.8	-86.4	0	0	0	111.1	V91	V91-F93 HydrophobicContact CB-CE2 4.06Å; V91-F93 HydrophobicContact CB-CZ 4.21Å; V91-F93 HydrophobicContact CG1-CE1 4.37Å; V91-F93 HydrophobicContact CG1-CE2 4.1Å; V91-F93 HydrophobicContact CG1-CZ 3.92Å; V91-F93 WeakPolarHBondContact O-CD2 3.46Å; V91-F93 VanDerWaalsContact O-CE2 3.28Å; V91-F93 WeakPolarHBondContact O-CE2 3.39Å
94	I	25.1	Very low	28.8	Very low	90 Å²	90	115.1 Å²	115.1	46%	0.462	60%	0.6	S	S	.	*			trans	-101	126.6	178.5	-54	179.6	0	0	0	108.9	L153	I94-L153 HydrophobicContact CD1-CB 4.01Å
95	T	26.3	Very low	29.2	Very low	61 Å²	61	112.8 Å²	112.8	37%	0.374	60%	0.6	S	S	.	*			trans	-133.8	146.5	169.4	78.3	0	0	0	0	111.1	F112	T95-F112 HydrophobicContact CG2-CE1 3.89Å; T95-F112 HydrophobicContact CG2-CZ 4.19Å
96	P	24.6	Very low	29.4	Very low	65 Å²	65	112.2 Å²	112.2	42%	0.422	60%	0.603	S	S	.	*			trans	-67.5	137.9	169.9	-17.1	30.5	0	0	0	111.4	S98 Y116	P96-S98 PolarHBondContact O-N 3.36Å; P96-Y116 HydrophobicContact CG-CE2 3.85Å
97	Y	28.2	Very low	29.5	Very low	207 Å²	207	111.7 Å²	111.7	81%	0.812	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-49.3	-20.7	-170.4	-125.4	-94.8	0	0	0	116.5	V66 S99	V66-Y97 HydrophobicContact CG1-CE2 4.5Å; Y97-S99 PolarHBondContact O-N 2.86Å
98	S	30.8	Very low	29.8	Very low	119 Å²	119	108.7 Å²	108.7	83%	0.832	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-89.2	11.4	-165.4	61.7	0	0	0	0	116.6	P96	P96-S98 PolarHBondContact O-N 3.36Å
99	S	32.1	Very low	29.8	Very low	40 Å²	40	112.8 Å²	112.8	28%	0.28	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-131.6	25.7	-175	55.9	0	0	0	0	117	Y97 F103	Y97-S99 PolarHBondContact O-N 2.86Å; S99-F103 WeakPolarHBondContact O-CD2 3.24Å; S99-F103 WeakPolarHBondContact O-CE2 3.45Å
100	V	35.6	Very low	29.8	Very low	107 Å²	107	108.6 Å²	108.6	65%	0.648	57%	0.574	S	S	*	*			trans	-87	-8.8	-166.9	-173.3	0	0	0	0	115.7	N102	V100-N102 PolarHBondContact O-N 3.29Å
101	K	37.6	Very low	29.7	Very low	199 Å²	199	107.5 Å²	107.5	87%	0.865	57%	0.566	S	S	*	*	S	Bend	trans	-84.6	-6.3	-162.4	-84.3	-169.4	176.7	-176.9	0	119.3
102	N	34.9	Very low	29.6	Very low	164 Å²	164	107.2 Å²	107.2	88%	0.877	56%	0.558	S	S	*	*	S	Bend	trans	-154.6	72	177.3	-82.1	-34.1	0	0	0	113	V100	V100-N102 PolarHBondContact O-N 3.29Å
103	F	38.7	Very low	30.1	Very low	118 Å²	118	105.9 Å²	105.9	52%	0.518	55%	0.545	S	S	.	.			trans	-117.4	132	-169.6	-102.7	-94.1	0	0	0	115.4	S99 F112	S99-F103 WeakPolarHBondContact O-CD2 3.24Å; S99-F103 WeakPolarHBondContact O-CE2 3.45Å; F103-F112 HydrophobicContact CE1-CE2 4.36Å; F103-F112 HydrophobicContact CE1-CZ 4.13Å
104	N	31.4	Very low	30.1	Very low	86 Å²	86	103.8 Å²	103.8	46%	0.46	54%	0.542	S	S	.	.			trans	-105.5	125.8	175.8	-177.6	-22.9	0	0	0	111.2	Q106 Q107	N104-Q106 PolarHBondContact O-N 2.82Å; N104-Q106 PolarHBondContact OD1-N 2.97Å; N104-Q107 PolarHBondContact O-N 3.39Å
105	P	31	Very low	30.1	Very low	100 Å²	100	106.1 Å²	106.1	65%	0.649	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-58.4	-30.5	-174.4	-25.8	33.3	0	0	0	116.9	Q107 V108	P105-Q107 PolarHBondContact O-N 3.43Å; P105-V108 VanDerWaalsContact O-CB 3.29Å; P105-V108 WeakPolarHBondContact O-CB 3.23Å; P105-V108 VanDerWaalsContact O-CG2 3.27Å; P105-V108 WeakPolarHBondContact O-CG2 3.22Å; P105-V108 PolarHBondContact O-N 3.02Å; P105-V108 VanDerWaalsContact O-N 3.14Å
106	Q	30.4	Very low	30.2	Very low	148 Å²	148	110.5 Å²	110.5	69%	0.692	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-71.2	-20	-176.2	-72.9	-179.4	-9.3	0	0	113.2	N104 V108	N104-Q106 PolarHBondContact O-N 2.82Å; N104-Q106 PolarHBondContact OD1-N 2.97Å; Q106-V108 PolarHBondContact O-N 2.85Å
107	Q	27.2	Very low	30.3	Very low	117 Å²	117	109.6 Å²	109.6	55%	0.547	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-74.7	-12.4	174.3	-68.1	175.2	-28.6	0	0	112.6	N104 P105 S111	N104-Q107 PolarHBondContact O-N 3.39Å; P105-Q107 PolarHBondContact O-N 3.43Å; Q107-S111 VanDerWaalsContact O-CB 3.24Å; Q107-S111 WeakPolarHBondContact O-CB 3.5Å; Q107-S111 PolarHBondContact O-N 3.02Å
108	V	32	Very low	30.2	Very low	42 Å²	42	102.4 Å²	102.4	26%	0.255	53%	0.534	S	S	.	.	H	α-helix	trans	-73.3	-37.8	-171.9	179.3	0	0	0	0	113.1	P105 Q106 G110 F112	P105-V108 VanDerWaalsContact O-CB 3.29Å; P105-V108 WeakPolarHBondContact O-CB 3.23Å; P105-V108 VanDerWaalsContact O-CG2 3.27Å; P105-V108 WeakPolarHBondContact O-CG2 3.22Å; P105-V108 PolarHBondContact O-N 3.02Å; P105-V108 VanDerWaalsContact O-N 3.14Å; Q106-V108 PolarHBondContact O-N 2.85Å; V108-G110 VanDerWaalsContact C-N 3.26Å; V108-G110 PolarHBondContact O-N 3.3Å; V108-F112 HydrophobicContact CB-CD2 4.19Å; V108-F112 HydrophobicContact CB-CE2 4.24Å; V108-F112 HydrophobicContact CG1-CD2 3.73Å; V108-F112 HydrophobicContact CG1-CE2 3.97Å; V108-F112 HydrophobicContact CG2-CD2 4.45Å; V108-F112 HydrophobicContact CG2-CE2 3.99Å
109	F	29.8	Very low	29.9	Very low	183 Å²	183	101.5 Å²	101.5	80%	0.803	52%	0.524	S	S	*	.	H	α-helix	trans	-67.8	-26.7	-177.7	-98.2	-85.9	0	0	0	113.2	Y113	F109-Y113 VanDerWaalsContact O-CD2 3.23Å; F109-Y113 WeakPolarHBondContact O-CD2 3.22Å; F109-Y113 VanDerWaalsContact O-CE2 3.26Å; F109-Y113 WeakPolarHBondContact O-CE2 3.46Å
110	G	25	Very low	29.7	Very low	30 Å²	30	106.9 Å²	106.9	31%	0.309	54%	0.543	S	S	.	.	H	α-helix	trans	-102.3	-37.8	-179.5	0	0	0	0	0	115	V108	V108-G110 VanDerWaalsContact C-N 3.26Å; V108-G110 PolarHBondContact O-N 3.3Å
111	S	23.6	Very low	29.4	Very low	62 Å²	62	103.7 Å²	103.7	43%	0.434	52%	0.521	S	S	.	.	H	α-helix	trans	-88.5	-17.5	-168.1	-71.1	0	0	0	0	116	Q107 T114 K115	Q107-S111 VanDerWaalsContact O-CB 3.24Å; Q107-S111 WeakPolarHBondContact O-CB 3.5Å; Q107-S111 PolarHBondContact O-N 3.02Å; S111-T114 PolarHBondContact O-N 2.85Å; S111-T114 PolarHBondContact O-OG1 3.02Å; S111-K115 PolarHBondContact O-N 3.38Å
112	F	26.4	Very low	28.9	Very low	80 Å²	80	97.1 Å²	97.1	35%	0.351	50%	0.5	S	S	.	.	H	α-helix	trans	-79.8	-20.7	175.6	-76.3	-84.5	0	0	0	113.3	T95 F103 V108 T114	T95-F112 HydrophobicContact CG2-CE1 3.89Å; T95-F112 HydrophobicContact CG2-CZ 4.19Å; F103-F112 HydrophobicContact CE1-CE2 4.36Å; F103-F112 HydrophobicContact CE1-CZ 4.13Å; V108-F112 HydrophobicContact CB-CD2 4.19Å; V108-F112 HydrophobicContact CB-CE2 4.24Å; V108-F112 HydrophobicContact CG1-CD2 3.73Å; V108-F112 HydrophobicContact CG1-CE2 3.97Å; V108-F112 HydrophobicContact CG2-CD2 4.45Å; V108-F112 HydrophobicContact CG2-CE2 3.99Å; F112-T114 PolarHBondContact O-N 3.28Å
113	Y	33.9	Very low	28.6	Very low	87 Å²	87	92.5 Å²	92.5	34%	0.341	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-28.5	169	-73.3	-84	0	0	0	112.4	F109 H182	F109-Y113 VanDerWaalsContact O-CD2 3.23Å; F109-Y113 WeakPolarHBondContact O-CD2 3.22Å; F109-Y113 VanDerWaalsContact O-CE2 3.26Å; F109-Y113 WeakPolarHBondContact O-CE2 3.46Å; Y113-H182 PolarHBondContact OH-NE2 3.29Å
114	T	28.1	Very low	28.1	Very low	74 Å²	74	93.9 Å²	93.9	45%	0.454	48%	0.484	S	S	.	.	H	α-helix	trans	-92.9	-37.3	-175.5	58.1	0	0	0	0	113.5	S111 F112 A118	S111-T114 PolarHBondContact O-N 2.85Å; S111-T114 PolarHBondContact O-OG1 3.02Å; F112-T114 PolarHBondContact O-N 3.28Å; T114-A118 WeakPolarHBondContact O-CB 3.4Å; T114-A118 PolarHBondContact O-N 3.47Å
115	K	25.5	Very low	27.9	Very low	140 Å²	140	92.6 Å²	92.6	61%	0.609	48%	0.476	S	S	*	.	H	α-helix	trans	-77.6	-39.8	-166.9	-159.4	170.3	-177.1	178.6	0	115.1	S111 T119	S111-K115 PolarHBondContact O-N 3.38Å; K115-T119 PolarHBondContact O-N 3.2Å; K115-T119 PolarHBondContact O-OG1 3.29Å
116	Y	26.9	Very low	27.9	Very low	152 Å²	152	94.3 Å²	94.3	60%	0.596	48%	0.476	S	S	*	.	H	α-helix	trans	-77	-33.3	-176	-134.6	-89.5	0	0	0	112.6	P96	P96-Y116 HydrophobicContact CG-CE2 3.85Å
117	N	28	Very low	28.2	Very low	47 Å²	47	90.5 Å²	90.5	25%	0.251	47%	0.465	S	S	.	.	H	α-helix	trans	-79.7	-33.4	173	-90.3	-14	0	0	0	112.3	T119 K120 I121 I149	N117-T119 VanDerWaalsContact C-N 3.27Å; N117-T119 PolarHBondContact O-N 3.4Å; N117-K120 PolarHBondContact O-N 3.28Å; N117-I121 HydrophobicContact CB-CD1 4Å; N117-I121 WeakPolarHBondContact O-CB 3.26Å; N117-I121 WeakPolarHBondContact O-CD1 3.48Å; N117-I121 WeakPolarHBondContact O-CG1 3.2Å; N117-I121 PolarHBondContact O-N 2.96Å; N117-I149 PolarHBondContact ND2-O 3.32Å
118	A	25	Very low	28.3	Very low	55 Å²	55	87.4 Å²	87.4	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-60	-34	176.4	0	0	0	0	0	113.2	T114 S122	T114-A118 WeakPolarHBondContact O-CB 3.4Å; T114-A118 PolarHBondContact O-N 3.47Å; A118-S122 WeakPolarHBondContact O-CB 3.46Å; A118-S122 PolarHBondContact O-N 3.27Å
119	T	25.7	Very low	28.3	Very low	100 Å²	100	88.5 Å²	88.5	61%	0.613	46%	0.457	S	S	*	.	H	α-helix	trans	-72	-41.8	179	-8.8	0	0	0	0	112	K115 N117 S122 S123	K115-T119 PolarHBondContact O-N 3.2Å; K115-T119 PolarHBondContact O-OG1 3.29Å; N117-T119 VanDerWaalsContact C-N 3.27Å; N117-T119 PolarHBondContact O-N 3.4Å; T119-S122 PolarHBondContact O-N 3.16Å; T119-S123 PolarHBondContact O-N 3.36Å
120	K	28	Very low	28.2	Very low	154 Å²	154	86.7 Å²	86.7	67%	0.67	46%	0.456	S	S	*	.	H	α-helix	trans	-71.4	-37.1	176.6	-154.9	173.8	-175.5	-179.3	0	111.5	N117 S123 Y124	N117-K120 PolarHBondContact O-N 3.28Å; K120-S123 PolarHBondContact O-N 3.02Å; K120-S123 PolarHBondContact O-OG 3.38Å; K120-Y124 PolarHBondContact O-N 3.49Å
121	I	28.6	Very low	28.6	Very low	39 Å²	39	90.9 Å²	90.9	20%	0.2	47%	0.471	C	S	.	.	H	α-helix	trans	-65.6	-38.5	173	-69.5	167.7	0	0	0	110.6	N117 S123 Y124 I125	N117-I121 HydrophobicContact CB-CD1 4Å; N117-I121 WeakPolarHBondContact O-CB 3.26Å; N117-I121 WeakPolarHBondContact O-CD1 3.48Å; N117-I121 WeakPolarHBondContact O-CG1 3.2Å; N117-I121 PolarHBondContact O-N 2.96Å; I121-S123 VanDerWaalsContact C-N 3.33Å; I121-S123 PolarHBondContact O-N 3.29Å; I121-Y124 CarbonylContact O-C 3.56Å; I121-Y124 PolarHBondContact O-N 3.23Å; I121-I125 HydrophobicContact CG2-CD1 3.37Å; I121-I125 HydrophobicContact CG2-CG1 3.88Å; I121-I125 VanDerWaalsContact O-CB 3.28Å; I121-I125 WeakPolarHBondContact O-CB 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.27Å; I121-I125 PolarHBondContact O-N 3.41Å
122	S	26.7	Very low	29	Very low	61 Å²	61	96.4 Å²	96.4	43%	0.427	48%	0.482	S	S	.	.	H	α-helix	trans	-60.7	-43.1	174.9	-157.2	0	0	0	0	111.2	A118 T119 Y124 I125 E126	A118-S122 WeakPolarHBondContact O-CB 3.46Å; A118-S122 PolarHBondContact O-N 3.27Å; T119-S122 PolarHBondContact O-N 3.16Å; S122-Y124 PolarHBondContact O-N 3.47Å; S122-I125 PolarHBondContact O-N 3.01Å; S122-E126 WeakPolarHBondContact O-CB 3.26Å; S122-E126 WeakPolarHBondContact O-CG 3.31Å; S122-E126 PolarHBondContact O-N 3.23Å
123	S	27.8	Very low	29.3	Very low	67 Å²	67	100.2 Å²	100.2	47%	0.469	50%	0.5	S	S	.	.	H	α-helix	trans	-67.1	-33.5	175.5	65.5	0	0	0	0	113.5	T119 K120 I121 S127	T119-S123 PolarHBondContact O-N 3.36Å; K120-S123 PolarHBondContact O-N 3.02Å; K120-S123 PolarHBondContact O-OG 3.38Å; I121-S123 VanDerWaalsContact C-N 3.33Å; I121-S123 PolarHBondContact O-N 3.29Å; S123-S127 PolarHBondContact O-N 3.01Å; S123-S127 VanDerWaalsContact O-N 3.08Å
124	Y	28.2	Very low	28.9	Very low	148 Å²	148	103.3 Å²	103.3	58%	0.58	52%	0.523	S	S	*	.	H	α-helix	trans	-78.8	-29.5	178.1	-145.8	-104.1	0	0	0	112.4	K120 I121 S122 S127 N128	K120-Y124 PolarHBondContact O-N 3.49Å; I121-Y124 CarbonylContact O-C 3.56Å; I121-Y124 PolarHBondContact O-N 3.23Å; S122-Y124 PolarHBondContact O-N 3.47Å; Y124-S127 PolarHBondContact O-OG 3.46Å; Y124-S127 VanDerWaalsContact O-OG 3.09Å; Y124-N128 WeakPolarHBondContact CD1-ND2 3.04Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.26Å; Y124-N128 WeakPolarHBondContact O-CB 3.34Å; Y124-N128 VanDerWaalsContact O-CG 3.32Å; Y124-N128 PolarHBondContact O-N 3.36Å; Y124-N128 PolarHBondContact O-ND2 3.45Å; Y124-N128 VanDerWaalsContact O-ND2 3.1Å
125	I	28.9	Very low	29.4	Very low	58 Å²	58	107.1 Å²	107.1	30%	0.297	54%	0.539	S	S	.	.	H	α-helix	trans	-73.6	-39.1	171.6	-71	174.8	0	0	0	109.9	I121 S122 N128 N129	I121-I125 HydrophobicContact CG2-CD1 3.37Å; I121-I125 HydrophobicContact CG2-CG1 3.88Å; I121-I125 VanDerWaalsContact O-CB 3.28Å; I121-I125 WeakPolarHBondContact O-CB 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.27Å; I121-I125 PolarHBondContact O-N 3.41Å; S122-I125 PolarHBondContact O-N 3.01Å; I125-N128 CarbonylContact O-C 3.57Å; I125-N128 PolarHBondContact O-N 3.09Å; I125-N129 PolarHBondContact O-N 3.35Å; I125-N129 PolarHBondContact O-ND2 3.04Å; I125-N129 PolarHBondContact O-OD1 3.13Å
126	E	31	Very low	29.7	Very low	136 Å²	136	107.4 Å²	107.4	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-62.3	-42.5	173.3	-82.7	173.2	176.9	0	0	111.5	S122	S122-E126 WeakPolarHBondContact O-CB 3.26Å; S122-E126 WeakPolarHBondContact O-CG 3.31Å; S122-E126 PolarHBondContact O-N 3.23Å
127	S	35.5	Very low	30.1	Very low	68 Å²	68	110.6 Å²	110.6	48%	0.476	56%	0.564	S	S	.	*	H	α-helix	trans	-69.6	-32.3	174.8	73.1	0	0	0	0	113.1	S123 Y124	S123-S127 PolarHBondContact O-N 3.01Å; S123-S127 VanDerWaalsContact O-N 3.08Å; Y124-S127 PolarHBondContact O-OG 3.46Å; Y124-S127 VanDerWaalsContact O-OG 3.09Å
128	N	30.4	Very low	30.7	Very low	52 Å²	52	117 Å²	117	28%	0.278	59%	0.59	S	S	.	*	H	α-helix	trans	-94.2	3	-179.1	-72.9	-35	0	0	0	115	Y124 I125 N130 L131 R132	Y124-N128 WeakPolarHBondContact CD1-ND2 3.04Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.26Å; Y124-N128 WeakPolarHBondContact O-CB 3.34Å; Y124-N128 VanDerWaalsContact O-CG 3.32Å; Y124-N128 PolarHBondContact O-N 3.36Å; Y124-N128 PolarHBondContact O-ND2 3.45Å; Y124-N128 VanDerWaalsContact O-ND2 3.1Å; I125-N128 CarbonylContact O-C 3.57Å; I125-N128 PolarHBondContact O-N 3.09Å; N128-N130 PolarHBondContact O-N 3.4Å; N128-N130 VanDerWaalsContact O-N 3.1Å; N128-L131 HydrophobicContact CB-CB 4.42Å; N128-L131 WeakPolarHBondContact O-CA 3.17Å; N128-L131 WeakPolarHBondContact O-CB 3.41Å; N128-L131 PolarHBondContact O-N 2.9Å; N128-L131 VanDerWaalsContact OD1-CD1 3.32Å; N128-L131 WeakPolarHBondContact OD1-CD1 3.21Å; N128-R132 PolarHBondContact O-N 3.34Å
129	N	30.9	Very low	31.7	Very low	65 Å²	65	121.6 Å²	121.6	35%	0.348	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.3	-21.1	170	-85.2	-30.7	0	0	0	111.6	I125 R132	I125-N129 PolarHBondContact O-N 3.35Å; I125-N129 PolarHBondContact O-ND2 3.04Å; I125-N129 PolarHBondContact O-OD1 3.13Å; N129-R132 PolarHBondContact OD1-NH1 2.92Å
130	N	28.2	Very low	32.8	Very low	146 Å²	146	124.4 Å²	124.4	78%	0.781	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-22.7	169.9	-68.4	-25.4	0	0	0	114	N128	N128-N130 PolarHBondContact O-N 3.4Å; N128-N130 VanDerWaalsContact O-N 3.1Å
131	L	34.1	Very low	34.2	Very low	118 Å²	118	123.6 Å²	123.6	62%	0.618	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-17.2	174.7	-97.4	143.9	0	0	0	113	N128 H133	N128-L131 HydrophobicContact CB-CB 4.42Å; N128-L131 WeakPolarHBondContact O-CA 3.17Å; N128-L131 WeakPolarHBondContact O-CB 3.41Å; N128-L131 PolarHBondContact O-N 2.9Å; N128-L131 VanDerWaalsContact OD1-CD1 3.32Å; N128-L131 WeakPolarHBondContact OD1-CD1 3.21Å; L131-H133 PolarHBondContact O-N 3.49Å; L131-H133 VanDerWaalsContact O-N 3.17Å
132	R	31.5	Very low	36	Very low	178 Å²	178	124 Å²	124	67%	0.672	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-15.4	177.1	-106.4	178	169.4	158	-5.1	114.6	N128 N129	N128-R132 PolarHBondContact O-N 3.34Å; N129-R132 PolarHBondContact OD1-NH1 2.92Å
133	H	31.5	Very low	38.3	Very low	160 Å²	160	127.9 Å²	127.9	74%	0.741	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-4.3	-169.8	-89	-68.6	0	0	0	116.7	L131	L131-H133 PolarHBondContact O-N 3.49Å; L131-H133 VanDerWaalsContact O-N 3.17Å
134	N	27.3	Very low	40.6	Very low	152 Å²	152	129.1 Å²	129.1	81%	0.813	64%	0.639	S	S	*	*			trans	-132.1	29.5	-173.2	-80.3	-27.1	0	0	0	115.7
135	I	37.7	Very low	43	Very low	154 Å²	154	125 Å²	125	79%	0.79	63%	0.629	S	S	*	*	S	Bend	trans	-97.9	114.1	161.1	-59.1	178.9	0	0	0	107.4
136	D	33	Very low	45.4	Very low	146 Å²	146	125.3 Å²	125.3	78%	0.781	63%	0.634	S	S	*	*			trans	-29.9	126.4	-166.6	-88.4	-51.2	0	0	0	117.9	K138	D136-K138 PolarHBondContact O-N 2.65Å
137	K	33.7	Very low	47.8	Very low	219 Å²	219	119.2 Å²	119.2	95%	0.952	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	17.5	174.7	-103.3	-177.3	-179.6	177.6	0	115.5
138	K	41.7	Very low	49.9	Very low	181 Å²	181	117.5 Å²	117.5	79%	0.787	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	-2.1	-168.3	-126.9	179.8	-177.5	179.5	0	118.3	D136	D136-K138 PolarHBondContact O-N 2.65Å
139	N	45	Very low	52.6	Low	152 Å²	152	117 Å²	117	81%	0.813	59%	0.588	S	S	*	*	S	Bend	trans	-156.9	135.2	168.9	-85.5	-38.4	0	0	0	110.9	T141	N139-T141 PolarHBondContact O-N 3.21Å
140	N	49.3	Very low	55.1	Low	158 Å²	158	116.1 Å²	116.1	85%	0.845	58%	0.58	S	S	*	*			trans	8.4	99.3	173.6	-75	-14	0	0	0	116.2	I142	N140-I142 PolarHBondContact O-N 3.32Å
141	T	57.8	Low	57.7	Low	137 Å²	137	111.8 Å²	111.8	84%	0.84	56%	0.561	S	S	*	*			trans	-64.4	103.3	177.4	-23.5	0	0	0	0	110.3	N139 N143	N139-T141 PolarHBondContact O-N 3.21Å; T141-N143 PolarHBondContact O-N 2.88Å
142	I	65.8	Low	59.9	Low	47 Å²	47	106.9 Å²	106.9	24%	0.241	54%	0.536	C	S	.	.			trans	-74.2	126.3	171.1	-58.1	165.7	0	0	0	107.8	N140 Y144 V361	N140-I142 PolarHBondContact O-N 3.32Å; I142-Y144 HydrophobicContact CB-CD2 4.28Å; I142-Y144 HydrophobicContact CB-CE2 3.93Å; I142-Y144 HydrophobicContact CG2-CD2 4.28Å; I142-Y144 HydrophobicContact CG2-CE2 4.11Å; I142-Y144 WeakPolarHBondContact O-CD2 3.48Å; I142-Y144 PolarHBondContact O-N 3.35Å; I142-V361 HydrophobicContact CD1-CB 3.58Å; I142-V361 HydrophobicContact CD1-CG1 3.81Å; I142-V361 WeakPolarHBondContact CD1-O 3.5Å
143	N	74.2	Confident	61.9	Low	143 Å²	143	103.9 Å²	103.9	77%	0.765	53%	0.533	S	S	*	.			trans	-76.3	92.9	172	-77.7	-21.3	0	0	0	109.8	T141 T145	T141-N143 PolarHBondContact O-N 2.88Å; N143-T145 PolarHBondContact O-N 3.19Å
144	Y	78	Confident	63.6	Low	94 Å²	94	97.8 Å²	97.8	37%	0.369	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-67	126.3	170.5	-73.7	-91.4	0	0	0	110.4	I142 E217 F221 S364	I142-Y144 HydrophobicContact CB-CD2 4.28Å; I142-Y144 HydrophobicContact CB-CE2 3.93Å; I142-Y144 HydrophobicContact CG2-CD2 4.28Å; I142-Y144 HydrophobicContact CG2-CE2 4.11Å; I142-Y144 WeakPolarHBondContact O-CD2 3.48Å; I142-Y144 PolarHBondContact O-N 3.35Å; Y144-E217 PolarHBondContact OH-OE2 3Å; Y144-F221 AromaticContact CD1-CE1 3.85Å; Y144-F221 HydrophobicContact CD1-CE1 3.85Å; Y144-F221 AromaticContact CD1-CZ 3.66Å; Y144-F221 HydrophobicContact CD1-CZ 3.66Å; Y144-F221 HydrophobicContact CE1-CZ 4.23Å; Y144-S364 WeakPolarHBondContact CD1-OG 3.45Å
145	T	77.5	Confident	65.3	Low	60 Å²	60	91.9 Å²	91.9	37%	0.368	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-88.3	159.8	163.3	55.7	0	0	0	0	110.2	N143 F221 K365 S366 Y373	N143-T145 PolarHBondContact O-N 3.19Å; T145-F221 WeakPolarHBondContact O-CE1 3.11Å; T145-K365 WeakPolarHBondContact OG1-CA 3.49Å; T145-S366 PolarHBondContact OG1-N 2.89Å; T145-Y373 PolarHBondContact N-OH 3.41Å; T145-Y373 WeakPolarHBondContact O-CE2 3.26Å; T145-Y373 VanDerWaalsContact O-CZ 3.32Å; T145-Y373 PolarHBondContact O-OH 3.05Å; T145-Y373 WeakPolarHBondContact OG1-CE2 3.49Å; T145-Y373 PolarHBondContact OG1-OH 3.04Å
146	T	79.5	Confident	66.9	Low	66 Å²	66	89.9 Å²	89.9	41%	0.405	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-84.6	129	174.5	-49.6	0	0	0	0	109.5
147	P	80.8	Confident	68.7	Low	7 Å²	7	85 Å²	85	5%	0.045	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-61.9	141.5	173	22.3	-30.7	0	0	0	111.5	T193 F195 F221 Y373	P147-T193 HydrophobicContact CB-CG2 3.88Å; P147-F195 HydrophobicContact CB-CE1 3.93Å; P147-F195 HydrophobicContact CB-CZ 4.15Å; P147-F195 HydrophobicContact CG-CE1 4.14Å; P147-F195 HydrophobicContact CG-CZ 4.2Å; P147-F221 VanDerWaalsContact CD-CD1 3.5Å; P147-F221 HydrophobicContact CG-CB 3.75Å; P147-F221 HydrophobicContact CG-CD1 4.18Å; P147-F221 HydrophobicContact CG-CD2 3.92Å; P147-F221 HydrophobicContact CG-CG 3.7Å; P147-Y373 VanDerWaalsContact CA-CD2 3.42Å; P147-Y373 HydrophobicContact CB-CD2 3.58Å; P147-Y373 HydrophobicContact CB-CE2 4.14Å; P147-Y373 HydrophobicContact CB-CG 3.8Å; P147-Y373 HydrophobicContact CG-CD2 4.49Å
148	I	81.2	Confident	70.7	Confident	32 Å²	32	79 Å²	79	16%	0.164	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-82.7	124.9	170.2	-76.6	163.2	0	0	0	107.9	T193	I148-T193 PolarHBondContact O-OG1 2.92Å
149	I	85.5	Confident	72.8	Confident	41 Å²	41	74.1 Å²	74.1	21%	0.21	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-93.9	117.8	172.2	-57.3	160.8	0	0	0	106.2	N117 P191 T193 K222	N117-I149 PolarHBondContact ND2-O 3.32Å; I149-P191 HydrophobicContact CG2-CB 3.85Å; I149-T193 WeakPolarHBondContact CG1-OG1 3.33Å; I149-K222 HydrophobicContact CD1-CD 3.28Å; I149-K222 HydrophobicContact CG1-CD 4.4Å
150	W	85	Confident	74.9	Confident	48 Å²	48	67.1 Å²	67.1	18%	0.182	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-64.3	138.4	166.3	-176.8	86.8	0	0	0	108.1	P152 H182 R186 I190 P191 Y192	W150-P152 HydrophobicContact CH2-CB 3.95Å; W150-P152 HydrophobicContact CZ3-CB 4.3Å; W150-H182 AromaticContact CD1-CE1 3.96Å; W150-R186 HydrophobicContact CD2-CG 4.25Å; W150-R186 HydrophobicContact CH2-CB 4.13Å; W150-R186 HydrophobicContact CH2-CG 4.03Å; W150-R186 HydrophobicContact CZ2-CB 3.98Å; W150-R186 HydrophobicContact CZ2-CG 3.5Å; W150-R186 VanDerWaalsContact CZ2-CG 3.5Å; W150-I190 WeakPolarHBondContact CZ3-O 3.48Å; W150-P191 CarbonylContact O-C 3.5Å; W150-P191 WeakPolarHBondContact O-CA 3.5Å; W150-Y192 HydrophobicContact CB-CD1 4.4Å; W150-Y192 HydrophobicContact CB-CD2 4.29Å; W150-Y192 HydrophobicContact CB-CE1 4.04Å; W150-Y192 HydrophobicContact CB-CE2 3.93Å; W150-Y192 HydrophobicContact CB-CG 4.5Å; W150-Y192 HydrophobicContact CD2-CD1 4.32Å; W150-Y192 AromaticContact CD2-CE1 3.57Å; W150-Y192 HydrophobicContact CD2-CE1 3.57Å; W150-Y192 AromaticContact CD2-CZ 3.89Å; W150-Y192 AromaticContact CE3-CD1 3.61Å; W150-Y192 HydrophobicContact CE3-CD1 3.61Å; W150-Y192 AromaticContact CE3-CE1 3.17Å; W150-Y192 HydrophobicContact CE3-CE1 3.17Å; W150-Y192 AromaticContact CE3-CZ 3.98Å; W150-Y192 AromaticContact CG-CE1 3.94Å; W150-Y192 HydrophobicContact CG-CE1 3.94Å; W150-Y192 HydrophobicContact CG-CE2 4.43Å; W150-Y192 AromaticContact CG-CZ 3.8Å; W150-Y192 HydrophobicContact CZ3-CD1 4.29Å; W150-Y192 AromaticContact CZ3-CE1 3.84Å; W150-Y192 HydrophobicContact CZ3-CE1 3.84Å; W150-Y192 PolarHBondContact N-O 2.89Å; W150-Y192 PolarHBondContact O-N 3.17Å; W150-Y192 VanDerWaalsContact O-N 3.09Å
151	S	82.2	Confident	77.1	Confident	55 Å²	55	59.7 Å²	59.7	39%	0.385	35%	0.35	S	S	.	.			trans	-143.4	142	176	-67.2	0	0	0	0	109.6
152	P	79.5	Confident	79.1	Confident	14 Å²	14	53.1 Å²	53.1	9%	0.091	31%	0.31	C	S	.	.			trans	-62.8	143.9	176	30	-39.2	0	0	0	111.1	W150 C155 P157 R189	W150-P152 HydrophobicContact CH2-CB 3.95Å; W150-P152 HydrophobicContact CZ3-CB 4.3Å; P152-C155 WeakPolarHBondContact CB-SG 3.33Å; P152-C155 WeakPolarHBondContact CG-SG 3.5Å; P152-P157 HydrophobicContact CG-CG 4.1Å; P152-R189 HydrophobicContact CB-CB 4.06Å; P152-R189 HydrophobicContact CB-CG 4.49Å; P152-R189 HydrophobicContact CG-CB 4.34Å; P152-R189 WeakPolarHBondContact CG-O 3.32Å
153	L	74.6	Confident	80.6	Confident	116 Å²	116	50.9 Å²	50.9	61%	0.607	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	143.3	172.8	-64.6	179.7	0	0	0	110	I94 C155	I94-L153 HydrophobicContact CD1-CB 4.01Å; L153-C155 VanDerWaalsContact C-N 3.31Å; L153-C155 PolarHBondContact O-N 2.92Å
154	G	65.6	Low	81.8	Confident	31 Å²	31	44.1 Å²	44.1	32%	0.32	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	23.3	173.8	0	0	0	0	0	114.6	Y63	Y63-G154 VanDerWaalsContact CE2-O 3.22Å; Y63-G154 WeakPolarHBondContact CE2-O 3.11Å; Y63-G154 VanDerWaalsContact CZ-C 3.43Å; Y63-G154 WeakPolarHBondContact OH-CA 3.28Å; Y63-G154 PolarHBondContact OH-O 3.04Å
155	C	62.9	Low	82.8	Confident	28 Å²	28	39.6 Å²	39.6	19%	0.189	25%	0.245	C	C	.	.			trans	-151.3	159.7	165.6	68.1	0	0	0	0	113.3	C58 P152 L153 P157	C58-C155 HydrophobicContact CB-CB 3.54Å; C58-C155 WeakPolarHBondContact SG-CB 2.93Å; P152-C155 WeakPolarHBondContact CB-SG 3.33Å; P152-C155 WeakPolarHBondContact CG-SG 3.5Å; L153-C155 VanDerWaalsContact C-N 3.31Å; L153-C155 PolarHBondContact O-N 2.92Å; C155-P157 WeakPolarHBondContact O-CD 3.36Å
156	S	71.2	Confident	83.8	Confident	113 Å²	113	37 Å²	37	79%	0.79	23%	0.229	S	C	*	.			trans	-107.8	86.3	176.9	-66.3	0	0	0	0	109.5
157	P	70.9	Confident	84.7	Confident	43 Å²	43	34.5 Å²	34.5	28%	0.279	21%	0.212	S	C	.	.			trans	-64.7	141.2	179.1	25.1	-33.2	0	0	0	111.3	P152 C155 P191	P152-P157 HydrophobicContact CG-CG 4.1Å; C155-P157 WeakPolarHBondContact O-CD 3.36Å; P157-P191 HydrophobicContact CB-CG 3.59Å; P157-P191 HydrophobicContact CG-CG 3.06Å
158	S	75.8	Confident	85.5	Confident	94 Å²	94	35.2 Å²	35.2	66%	0.657	21%	0.214	S	C	*	.	S	Bend	trans	-91.4	-10.3	-178.6	61.8	0	0	0	0	114.1
159	L	86.8	Confident	86.2	Confident	78 Å²	78	39.9 Å²	39.9	41%	0.408	23%	0.233	S	C	.	.			trans	-133.8	154.2	-174.9	-65.1	172	0	0	0	109.8	P191 D225	L159-P191 VanDerWaalsContact O-CD 3.25Å; L159-P191 WeakPolarHBondContact O-CD 3.09Å; L159-D225 WeakPolarHBondContact CA-OD2 3.4Å; L159-D225 HydrophobicContact CB-CB 4.48Å; L159-D225 HydrophobicContact CD2-CB 3.77Å
160	S	89.5	Confident	86.5	Confident	5 Å²	5	39 Å²	39	4%	0.035	23%	0.227	C	C	.	.			trans	-141.2	140.8	178.8	56.6	0	0	0	0	111.4	P191 K222 D225 C226	S160-P191 CarbonylContact C-O 3.5Å; S160-P191 VanDerWaalsContact CA-O 3.3Å; S160-P191 WeakPolarHBondContact CA-O 3.15Å; S160-K222 VanDerWaalsContact OG-CE 3.23Å; S160-K222 WeakPolarHBondContact OG-CE 3.34Å; S160-K222 PolarHBondContact OG-NZ 2.99Å; S160-D225 PolarHBondContact N-OD2 3.09Å; S160-D225 PolarHBondContact O-N 3.45Å; S160-D225 PolarHBondContact OG-OD2 2.63Å; S160-C226 PolarHBondContact O-N 3.07Å
161	S	95.9	Very high	86.8	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.8	-174.6	-62.9	0	0	0	0	111.9	P191 Y192 T193 C226 Y243	S161-P191 PolarHBondContact N-O 3.02Å; S161-Y192 WeakPolarHBondContact O-CA 3.4Å; S161-T193 PolarHBondContact O-N 2.87Å; S161-T193 VanDerWaalsContact O-N 3.15Å; S161-C226 CarbonylContact C-O 3.57Å; S161-C226 WeakPolarHBondContact CA-O 3.34Å; S161-C226 WeakPolarHBondContact OG-CB 3.32Å; S161-Y243 WeakPolarHBondContact CB-O 3.47Å; S161-Y243 PolarHBondContact OG-O 2.83Å
162	A	97.7	Very high	87.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.4	165.5	0	0	0	0	0	108.9	I164 F195 V218 Y224 C226 F227 I228	A162-I164 HydrophobicContact CB-CG1 4.46Å; A162-F195 HydrophobicContact CB-CD2 4.06Å; A162-F195 HydrophobicContact CB-CE2 3.85Å; A162-V218 HydrophobicContact CB-CG2 4.23Å; A162-Y224 HydrophobicContact CB-CD1 3.9Å; A162-Y224 HydrophobicContact CB-CD2 3.89Å; A162-Y224 HydrophobicContact CB-CE1 4.3Å; A162-Y224 HydrophobicContact CB-CE2 4.3Å; A162-Y224 HydrophobicContact CB-CG 3.68Å; A162-C226 PolarHBondContact N-O 3.29Å; A162-F227 HydrophobicContact CB-CD1 4.08Å; A162-F227 HydrophobicContact CB-CE1 4.36Å; A162-F227 WeakPolarHBondContact O-CA 3.32Å; A162-I228 PolarHBondContact O-N 3.33Å
163	I	98.7	Very high	87.7	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.9	173.1	-59.1	83.3	0	0	0	106.9	I165 L181 L185 Y192 T193 I194 F195 I228 H230 Y243	I163-I165 HydrophobicContact CG2-CD1 4.06Å; I163-I165 HydrophobicContact CG2-CG1 4.06Å; I163-L181 HydrophobicContact CG2-CD1 4.33Å; I163-L185 HydrophobicContact CD1-CD1 3.85Å; I163-L185 HydrophobicContact CG1-CD1 4.21Å; I163-Y192 HydrophobicContact CD1-CD2 4.23Å; I163-Y192 HydrophobicContact CD1-CG 4.16Å; I163-T193 PolarHBondContact N-O 2.79Å; I163-I194 HydrophobicContact CB-CG1 4.49Å; I163-F195 PolarHBondContact O-N 2.51Å; I163-I228 CarbonylContact C-O 3.58Å; I163-I228 WeakPolarHBondContact CA-O 3.47Å; I163-I228 HydrophobicContact CG1-CB 4.17Å; I163-I228 HydrophobicContact CG1-CG1 4.22Å; I163-H230 HydrophobicContact CG2-CB 4.02Å; I163-Y243 HydrophobicContact CG1-CD1 4.02Å; I163-Y243 HydrophobicContact CG1-CE1 4.5Å
164	I	98.8	Very high	88.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.1	-176.5	-56.6	178.2	0	0	0	108.5	A162 I197 L211 F215 V218 F227 I228 L229 H230	A162-I164 HydrophobicContact CB-CG1 4.46Å; I164-I197 HydrophobicContact CG2-CD1 4.39Å; I164-I197 HydrophobicContact CG2-CG1 3.58Å; I164-L211 HydrophobicContact CB-CD2 4.41Å; I164-L211 HydrophobicContact CG2-CD2 3.96Å; I164-F215 HydrophobicContact CD1-CB 4.26Å; I164-V218 HydrophobicContact CD1-CG2 3.92Å; I164-V218 HydrophobicContact CG1-CG2 4.5Å; I164-F227 HydrophobicContact CD1-CD1 3.81Å; I164-F227 HydrophobicContact CD1-CE1 4.47Å; I164-I228 PolarHBondContact N-O 3.5Å; I164-L229 HydrophobicContact CB-CD2 4.3Å; I164-L229 HydrophobicContact CD1-CD2 4.22Å; I164-H230 PolarHBondContact O-N 3.15Å
165	I	98.9	Very high	89.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.3	-177.1	-62.6	157.8	0	0	0	108.9	I163 L177 L181 I194 F195 I196 I197 H230 V232	I163-I165 HydrophobicContact CG2-CD1 4.06Å; I163-I165 HydrophobicContact CG2-CG1 4.06Å; I165-L177 HydrophobicContact CD1-CD2 3.62Å; I165-L177 HydrophobicContact CG1-CD2 4.26Å; I165-L177 HydrophobicContact CG2-CD2 4.31Å; I165-L181 HydrophobicContact CD1-CD1 4.22Å; I165-I194 HydrophobicContact CD1-CG2 3.7Å; I165-F195 PolarHBondContact N-O 2.91Å; I165-I196 HydrophobicContact CB-CD1 3.85Å; I165-I196 HydrophobicContact CD1-CD1 3.72Å; I165-I196 HydrophobicContact CG1-CD1 4.37Å; I165-I196 HydrophobicContact CG2-CD1 4.26Å; I165-I197 PolarHBondContact O-N 3.05Å; I165-H230 WeakPolarHBondContact CA-O 3.46Å; I165-H230 HydrophobicContact CG1-CB 4Å; I165-V232 HydrophobicContact CG2-CB 3.81Å; I165-V232 HydrophobicContact CG2-CG2 4.09Å
166	P	98.7	Very high	90.8	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.032	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.2	172.4	32.5	-29.9	0	0	0	108.5	F205 R207 L210 L211 H230	P166-F205 HydrophobicContact CB-CZ 4.02Å; P166-R207 HydrophobicContact CB-CG 4.26Å; P166-R207 HydrophobicContact CG-CG 3.75Å; P166-L210 HydrophobicContact CB-CB 3.82Å; P166-L210 HydrophobicContact CB-CD1 3.94Å; P166-L211 HydrophobicContact CB-CD2 4.41Å; P166-L211 HydrophobicContact CB-CG 4.29Å; P166-L211 HydrophobicContact CG-CD1 4.32Å; P166-L211 HydrophobicContact CG-CD2 3.89Å; P166-L211 HydrophobicContact CG-CG 3.94Å; P166-H230 VanDerWaalsContact CD-O 3.3Å; P166-H230 WeakPolarHBondContact CD-O 3.17Å
167	Y	98.5	Very high	91.8	Very high	13 Å²	13	40.2 Å²	40.2	5%	0.051	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140.5	-167.5	173.9	-91.5	0	0	0	112.3	R170 I171 L174 I196 I197 E198 Q199 V232 W374	Y167-R170 HydrophobicContact CD2-CB 4.2Å; Y167-R170 HydrophobicContact CE2-CB 3.86Å; Y167-R170 PolarHBondContact OH-N 2.97Å; Y167-I171 WeakPolarHBondContact OH-CA 3.21Å; Y167-I171 PolarHBondContact OH-N 3.33Å; Y167-L174 HydrophobicContact CD2-CB 4.17Å; Y167-L174 HydrophobicContact CD2-CD2 3.96Å; Y167-L174 HydrophobicContact CD2-CG 4.47Å; Y167-L174 HydrophobicContact CE2-CB 3.77Å; Y167-L174 HydrophobicContact CE2-CD2 3.71Å; Y167-L174 HydrophobicContact CE2-CG 4.31Å; Y167-I196 HydrophobicContact CD1-CG2 4.18Å; Y167-I196 HydrophobicContact CD2-CG2 4.38Å; Y167-I196 HydrophobicContact CG-CG2 3.78Å; Y167-I197 PolarHBondContact N-O 3.16Å; Y167-E198 HydrophobicContact CD1-CB 3.98Å; Y167-E198 HydrophobicContact CD1-CG 4Å; Y167-E198 HydrophobicContact CE1-CG 4.44Å; Y167-E198 CarbonylContact O-C 3.58Å; Y167-E198 VanDerWaalsContact O-CA 3.26Å; Y167-E198 WeakPolarHBondContact O-CA 3.43Å; Y167-Q199 PolarHBondContact O-N 2.84Å; Y167-V232 HydrophobicContact CD2-CG2 4.14Å; Y167-W374 AromaticContact CD1-CH2 3.67Å; Y167-W374 HydrophobicContact CD1-CH2 3.67Å; Y167-W374 AromaticContact CD1-CZ2 3.79Å; Y167-W374 HydrophobicContact CD1-CZ2 3.79Å; Y167-W374 AromaticContact CE1-CH2 3.31Å; Y167-W374 HydrophobicContact CE1-CH2 3.31Å; Y167-W374 AromaticContact CE1-CZ2 3.62Å; Y167-W374 HydrophobicContact CE1-CZ2 3.62Å; Y167-W374 HydrophobicContact CE1-CZ3 4.44Å; Y167-W374 HydrophobicContact CG-CH2 4.43Å; Y167-W374 AromaticContact CZ-CH2 3.8Å
168	R	97.5	Very high	92.6	Very high	23 Å²	23	38.5 Å²	38.5	9%	0.087	19%	0.187	C	C	.	.	S	Bend	trans	-158.5	129.2	161.2	-172.2	177	67	-173.2	3.5	110.3	R170 R203 F205 E330 L331	R168-R170 WeakPolarHBondContact O-CG 3.29Å; R168-R170 PolarHBondContact O-N 2.85Å; R168-R203 PolarHBondContact NH1-O 2.78Å; R168-F205 HydrophobicContact CB-CD2 3.94Å; R168-F205 HydrophobicContact CB-CE2 3.88Å; R168-E330 PolarHBondContact NH2-O 3.13Å; R168-L331 PolarHBondContact NH2-O 3.44Å
169	K	95.1	Very high	93.1	Very high	130 Å²	130	39.1 Å²	39.1	57%	0.565	18%	0.183	S	C	*	.	S	Bend	trans	49.5	30.4	171.3	-64.2	177.4	-177.8	175.6	0	115.3	E202	K169-E202 IonicContact NZ-OE2 3.19Å
170	R	93.7	Very high	93	Very high	23 Å²	23	36.1 Å²	36.1	9%	0.087	17%	0.167	C	C	.	.			trans	-117.5	39.9	-176	-77.3	-73	-164.5	112.8	13.5	113	Y167 R168 Q172 H173 L174 V232 H326 D329	Y167-R170 HydrophobicContact CD2-CB 4.2Å; Y167-R170 HydrophobicContact CE2-CB 3.86Å; Y167-R170 PolarHBondContact OH-N 2.97Å; R168-R170 WeakPolarHBondContact O-CG 3.29Å; R168-R170 PolarHBondContact O-N 2.85Å; R170-Q172 VanDerWaalsContact C-N 3.26Å; R170-Q172 PolarHBondContact O-N 3.22Å; R170-H173 HydrophobicContact CB-CB 4.35Å; R170-H173 WeakPolarHBondContact CD-ND1 3.21Å; R170-H173 PolarHBondContact NH1-CD2 3.36Å; R170-H173 PolarHBondContact NH1-NE2 3.15Å; R170-H173 PolarHBondContact O-N 3.29Å; R170-L174 WeakPolarHBondContact O-CB 3.21Å; R170-L174 PolarHBondContact O-N 2.81Å; R170-V232 HydrophobicContact CB-CG1 4Å; R170-V232 HydrophobicContact CB-CG2 4.48Å; R170-V232 HydrophobicContact CG-CG1 4.17Å; R170-H326 VanDerWaalsContact NH1-CB 3.34Å; R170-H326 PolarHBondContact NH1-CD2 2.84Å; R170-H326 PolarHBondContact NH2-CD2 2.74Å; R170-H326 VanDerWaalsContact NH2-CD2 3.27Å; R170-H326 PolarHBondContact NH2-CE1 2.86Å; R170-H326 PolarHBondContact NH2-ND1 2.97Å; R170-H326 PolarHBondContact NH2-NE2 3.17Å; R170-H326 VanDerWaalsContact NH2-NE2 3.14Å; R170-D329 IonicContact CZ-OD1 3.31Å; R170-D329 VanDerWaalsContact CZ-OD1 3.29Å; R170-D329 IonicContact CZ-OD2 3.93Å; R170-D329 IonicContact NE-OD1 2.68Å; R170-D329 PolarHBondContact NE-OD1 3.32Å; R170-D329 IonicContact NE-OD2 3.47Å; R170-D329 VanDerWaalsContact NH2-CG 3.28Å; R170-D329 IonicContact NH2-OD1 3.09Å; R170-D329 PolarHBondContact NH2-OD1 2.9Å; R170-D329 VanDerWaalsContact NH2-OD1 3.15Å; R170-D329 IonicContact NH2-OD2 3.88Å; R170-D329 PolarHBondContact NH2-OD2 2.6Å
171	I	91.3	Very high	93.1	Very high	70 Å²	70	35.9 Å²	35.9	36%	0.359	17%	0.165	S	C	.	.	H	α-helix	trans	-60.3	-32.8	-169	-171.5	57.5	0	0	0	113.7	Y167 L174 R175	Y167-I171 WeakPolarHBondContact OH-CA 3.21Å; Y167-I171 PolarHBondContact OH-N 3.33Å; I171-L174 HydrophobicContact CD1-CD2 4.49Å; I171-R175 HydrophobicContact CD1-CG 4.4Å; I171-R175 VanDerWaalsContact O-CG 3.31Å; I171-R175 WeakPolarHBondContact O-CG 3.48Å; I171-R175 PolarHBondContact O-N 3.13Å
172	Q	88.8	Confident	92.8	Very high	129 Å²	129	37 Å²	37	60%	0.603	17%	0.171	S	C	*	.	H	α-helix	trans	-66.5	-50.8	177	-68.6	179.3	-13.6	0	0	110.9	R170 L174 R175 V176	R170-Q172 VanDerWaalsContact C-N 3.26Å; R170-Q172 PolarHBondContact O-N 3.22Å; Q172-L174 VanDerWaalsContact C-N 3.33Å; Q172-L174 PolarHBondContact O-N 2.85Å; Q172-R175 PolarHBondContact O-N 2.8Å; Q172-V176 WeakPolarHBondContact O-CG2 3.35Å; Q172-V176 PolarHBondContact O-N 3.45Å
173	H	92	Very high	92.1	Very high	23 Å²	23	37.3 Å²	37.3	11%	0.106	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-46.7	174.4	-58.9	72.5	0	0	0	111.5	R170 R175 V176 L177 V232 L324 S325	R170-H173 HydrophobicContact CB-CB 4.35Å; R170-H173 WeakPolarHBondContact CD-ND1 3.21Å; R170-H173 PolarHBondContact NH1-CD2 3.36Å; R170-H173 PolarHBondContact NH1-NE2 3.15Å; R170-H173 PolarHBondContact O-N 3.29Å; H173-R175 PolarHBondContact O-N 2.84Å; H173-V176 PolarHBondContact O-N 3.4Å; H173-L177 VanDerWaalsContact O-CB 3.31Å; H173-L177 WeakPolarHBondContact O-CB 3.45Å; H173-L177 PolarHBondContact O-N 2.82Å; H173-V232 HydrophobicContact CB-CG1 4.45Å; H173-V232 HydrophobicContact CB-CG2 4.21Å; H173-L324 HydrophobicContact CB-CD1 4.18Å; H173-S325 PolarHBondContact NE2-O 2.66Å
174	L	92.5	Very high	91.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-43.9	-178.9	179.7	63.7	0	0	0	112	Y167 R170 I171 Q172 L177 T178 I196 V232 W374	Y167-L174 HydrophobicContact CD2-CB 4.17Å; Y167-L174 HydrophobicContact CD2-CD2 3.96Å; Y167-L174 HydrophobicContact CD2-CG 4.47Å; Y167-L174 HydrophobicContact CE2-CB 3.77Å; Y167-L174 HydrophobicContact CE2-CD2 3.71Å; Y167-L174 HydrophobicContact CE2-CG 4.31Å; R170-L174 WeakPolarHBondContact O-CB 3.21Å; R170-L174 PolarHBondContact O-N 2.81Å; I171-L174 HydrophobicContact CD1-CD2 4.49Å; Q172-L174 VanDerWaalsContact C-N 3.33Å; Q172-L174 PolarHBondContact O-N 2.85Å; L174-L177 PolarHBondContact O-N 2.86Å; L174-T178 HydrophobicContact CD1-CG2 3.73Å; L174-T178 HydrophobicContact CG-CG2 4.18Å; L174-T178 WeakPolarHBondContact O-CB 3.5Å; L174-T178 VanDerWaalsContact O-CG2 3.28Å; L174-T178 WeakPolarHBondContact O-CG2 3.13Å; L174-T178 PolarHBondContact O-N 3.34Å; L174-T178 PolarHBondContact O-OG1 2.88Å; L174-I196 HydrophobicContact CD1-CD1 3.44Å; L174-I196 VanDerWaalsContact CD1-CD1 3.44Å; L174-I196 HydrophobicContact CD1-CG1 3.97Å; L174-I196 HydrophobicContact CD2-CG1 4.38Å; L174-I196 HydrophobicContact CD2-CG2 4.19Å; L174-V232 HydrophobicContact CB-CG2 3.99Å; L174-V232 HydrophobicContact CD1-CG2 4.2Å; L174-W374 HydrophobicContact CD2-CE3 4.47Å; L174-W374 HydrophobicContact CD2-CH2 3.99Å; L174-W374 HydrophobicContact CD2-CZ3 3.45Å; L174-W374 VanDerWaalsContact CD2-CZ3 3.45Å
175	R	88.9	Confident	91.1	Very high	161 Å²	161	37.6 Å²	37.6	61%	0.608	18%	0.175	S	C	*	.	H	α-helix	trans	-59.1	-50.2	177.5	-76.8	176.1	-179.6	-164.4	0.6	111.4	I171 Q172 H173 L177 T178 D179	I171-R175 HydrophobicContact CD1-CG 4.4Å; I171-R175 VanDerWaalsContact O-CG 3.31Å; I171-R175 WeakPolarHBondContact O-CG 3.48Å; I171-R175 PolarHBondContact O-N 3.13Å; Q172-R175 PolarHBondContact O-N 2.8Å; H173-R175 PolarHBondContact O-N 2.84Å; R175-L177 VanDerWaalsContact C-N 3.34Å; R175-L177 PolarHBondContact O-N 3.43Å; R175-T178 PolarHBondContact O-N 2.82Å; R175-T178 PolarHBondContact O-OG1 3.23Å; R175-D179 PolarHBondContact O-N 3.3Å
176	V	86.7	Confident	90.5	Very high	47 Å²	47	42.6 Å²	42.6	29%	0.285	19%	0.194	S	C	.	.	H	α-helix	trans	-59.5	-46.9	178	177.5	0	0	0	0	110.5	Q172 H173 T178 H180 L235 L324	Q172-V176 WeakPolarHBondContact O-CG2 3.35Å; Q172-V176 PolarHBondContact O-N 3.45Å; H173-V176 PolarHBondContact O-N 3.4Å; V176-T178 PolarHBondContact O-N 2.83Å; V176-H180 VanDerWaalsContact O-CB 3.26Å; V176-H180 WeakPolarHBondContact O-CB 3.15Å; V176-H180 PolarHBondContact O-N 2.89Å; V176-L235 HydrophobicContact CG1-CD1 3.89Å; V176-L235 HydrophobicContact CG1-CD2 4.43Å; V176-L324 HydrophobicContact CB-CD1 4.12Å; V176-L324 HydrophobicContact CG1-CD1 4.04Å; V176-L324 HydrophobicContact CG1-CD2 4.23Å
177	L	91.4	Very high	89.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-46.6	-179.9	179.7	67.2	0	0	0	112.3	I165 H173 L174 R175 D179 H180 L181 V232 K234 L235	I165-L177 HydrophobicContact CD1-CD2 3.62Å; I165-L177 HydrophobicContact CG1-CD2 4.26Å; I165-L177 HydrophobicContact CG2-CD2 4.31Å; H173-L177 VanDerWaalsContact O-CB 3.31Å; H173-L177 WeakPolarHBondContact O-CB 3.45Å; H173-L177 PolarHBondContact O-N 2.82Å; L174-L177 PolarHBondContact O-N 2.86Å; R175-L177 VanDerWaalsContact C-N 3.34Å; R175-L177 PolarHBondContact O-N 3.43Å; L177-D179 PolarHBondContact O-N 3.27Å; L177-H180 PolarHBondContact O-N 3.19Å; L177-L181 HydrophobicContact CD1-CD1 3.66Å; L177-L181 HydrophobicContact CD1-CD2 4.26Å; L177-L181 HydrophobicContact CD1-CG 3.63Å; L177-L181 HydrophobicContact CD2-CD1 4.22Å; L177-L181 HydrophobicContact CG-CD1 3.74Å; L177-L181 HydrophobicContact CG-CG 4.05Å; L177-L181 VanDerWaalsContact O-CB 3.32Å; L177-L181 WeakPolarHBondContact O-CB 3.38Å; L177-L181 WeakPolarHBondContact O-CG 3.32Å; L177-L181 PolarHBondContact O-N 3.42Å; L177-V232 HydrophobicContact CD2-CG2 4.3Å; L177-V232 WeakPolarHBondContact CD2-O 3.2Å; L177-K234 VanDerWaalsContact CD1-O 3.29Å; L177-K234 WeakPolarHBondContact CD1-O 3.38Å; L177-L235 HydrophobicContact CB-CD2 4.25Å; L177-L235 HydrophobicContact CD1-CD2 3.63Å
178	T	87.6	Confident	89.2	Confident	7 Å²	7	46 Å²	46	4%	0.043	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-37.8	-176.1	52	0	0	0	0	112.8	L174 R175 V176 H182 Y368 I372	L174-T178 HydrophobicContact CD1-CG2 3.73Å; L174-T178 HydrophobicContact CG-CG2 4.18Å; L174-T178 WeakPolarHBondContact O-CB 3.5Å; L174-T178 VanDerWaalsContact O-CG2 3.28Å; L174-T178 WeakPolarHBondContact O-CG2 3.13Å; L174-T178 PolarHBondContact O-N 3.34Å; L174-T178 PolarHBondContact O-OG1 2.88Å; R175-T178 PolarHBondContact O-N 2.82Å; R175-T178 PolarHBondContact O-OG1 3.23Å; V176-T178 PolarHBondContact O-N 2.83Å; T178-H182 WeakPolarHBondContact O-CB 3.2Å; T178-H182 PolarHBondContact O-N 3.39Å; T178-H182 VanDerWaalsContact O-N 3.15Å; T178-Y368 HydrophobicContact CG2-CE2 4.45Å; T178-I372 HydrophobicContact CG2-CG2 3.6Å
179	D	85.6	Confident	88.5	Confident	106 Å²	106	52.4 Å²	52.4	57%	0.567	23%	0.234	S	C	*	.	H	α-helix	trans	-68.1	-47.5	175.4	-171.4	58.5	0	0	0	110.9	R175 L177 H182 G183	R175-D179 PolarHBondContact O-N 3.3Å; L177-D179 PolarHBondContact O-N 3.27Å; D179-H182 PolarHBondContact O-N 3.28Å; D179-G183 PolarHBondContact O-N 3.01Å; D179-G183 VanDerWaalsContact O-N 3.16Å
180	H	86.3	Confident	88	Confident	15 Å²	15	47.4 Å²	47.4	7%	0.069	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-53.4	177.6	-171.7	103.3	0	0	0	112.3	I44 Y46 V176 L177 H182 G183 F184 L235 P236	I44-H180 WeakPolarHBondContact CD1-ND1 3.27Å; Y46-H180 PolarHBondContact OH-CD2 3.44Å; Y46-H180 VanDerWaalsContact OH-CD2 3.3Å; Y46-H180 PolarHBondContact OH-CE1 3.06Å; Y46-H180 VanDerWaalsContact OH-CG 3.27Å; Y46-H180 PolarHBondContact OH-ND1 3.49Å; Y46-H180 PolarHBondContact OH-NE2 3.4Å; V176-H180 VanDerWaalsContact O-CB 3.26Å; V176-H180 WeakPolarHBondContact O-CB 3.15Å; V176-H180 PolarHBondContact O-N 2.89Å; L177-H180 PolarHBondContact O-N 3.19Å; H180-H182 VanDerWaalsContact C-N 3.3Å; H180-H182 PolarHBondContact O-N 3.19Å; H180-G183 PolarHBondContact O-N 2.79Å; H180-F184 WeakPolarHBondContact O-CB 3.42Å; H180-F184 PolarHBondContact O-N 3.26Å; H180-L235 HydrophobicContact CB-CD2 4.01Å; H180-P236 PolarHBondContact CE1-O 3.49Å; H180-P236 PolarHBondContact NE2-O 2.83Å
181	L	91.1	Very high	87.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-35.8	-179.6	-74.3	-176.2	0	0	0	112.2	I163 I165 L177 F184 L185 I194 P236 Y243	I163-L181 HydrophobicContact CG2-CD1 4.33Å; I165-L181 HydrophobicContact CD1-CD1 4.22Å; L177-L181 HydrophobicContact CD1-CD1 3.66Å; L177-L181 HydrophobicContact CD1-CD2 4.26Å; L177-L181 HydrophobicContact CD1-CG 3.63Å; L177-L181 HydrophobicContact CD2-CD1 4.22Å; L177-L181 HydrophobicContact CG-CD1 3.74Å; L177-L181 HydrophobicContact CG-CG 4.05Å; L177-L181 VanDerWaalsContact O-CB 3.32Å; L177-L181 WeakPolarHBondContact O-CB 3.38Å; L177-L181 WeakPolarHBondContact O-CG 3.32Å; L177-L181 PolarHBondContact O-N 3.42Å; L181-F184 HydrophobicContact CD2-CD1 4.43Å; L181-F184 PolarHBondContact O-N 3.24Å; L181-L185 HydrophobicContact CB-CD1 4.24Å; L181-L185 VanDerWaalsContact O-CB 3.23Å; L181-L185 WeakPolarHBondContact O-CB 3.23Å; L181-L185 WeakPolarHBondContact O-CG 3.47Å; L181-L185 PolarHBondContact O-N 2.91Å; L181-I194 HydrophobicContact CB-CD1 4.11Å; L181-P236 HydrophobicContact CD2-CG 4.06Å; L181-Y243 HydrophobicContact CD2-CE1 3.94Å
182	H	88.6	Confident	87.6	Confident	26 Å²	26	43.7 Å²	43.7	12%	0.12	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-40.6	177.7	-172.3	55.2	0	0	0	112.5	Y113 W150 T178 D179 H180 R186 Y192 L371	Y113-H182 PolarHBondContact OH-NE2 3.29Å; W150-H182 AromaticContact CD1-CE1 3.96Å; T178-H182 WeakPolarHBondContact O-CB 3.2Å; T178-H182 PolarHBondContact O-N 3.39Å; T178-H182 VanDerWaalsContact O-N 3.15Å; D179-H182 PolarHBondContact O-N 3.28Å; H180-H182 VanDerWaalsContact C-N 3.3Å; H180-H182 PolarHBondContact O-N 3.19Å; H182-R186 WeakPolarHBondContact O-CG 3.5Å; H182-R186 PolarHBondContact O-NE 3.44Å; H182-Y192 PolarHBondContact CE1-OH 3.33Å; H182-Y192 AromaticContact ND1-CZ 3.94Å; H182-Y192 PolarHBondContact ND1-OH 3.05Å; H182-L371 HydrophobicContact CB-CD1 3.76Å; H182-L371 HydrophobicContact CB-CD2 4.45Å; H182-L371 VanDerWaalsContact CG-CD1 3.45Å; H182-L371 VanDerWaalsContact ND1-CD1 3.27Å; H182-L371 WeakPolarHBondContact ND1-CD1 3.36Å
183	G	84	Confident	87.7	Confident	6 Å²	6	37.7 Å²	37.7	6%	0.062	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-54.1	172	0	0	0	0	0	111	D179 H180	D179-G183 PolarHBondContact O-N 3.01Å; D179-G183 VanDerWaalsContact O-N 3.16Å; H180-G183 PolarHBondContact O-N 2.79Å
184	F	87.4	Confident	87.9	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-58.5	-52.4	-176.5	177.7	-100.5	0	0	0	114.1	H180 L181 R186 H187 Q188 P236 D238 D239 I241 Y243	H180-F184 WeakPolarHBondContact O-CB 3.42Å; H180-F184 PolarHBondContact O-N 3.26Å; L181-F184 HydrophobicContact CD2-CD1 4.43Å; L181-F184 PolarHBondContact O-N 3.24Å; F184-R186 VanDerWaalsContact C-N 3.31Å; F184-R186 PolarHBondContact O-N 3.45Å; F184-H187 PolarHBondContact O-N 2.89Å; F184-Q188 VanDerWaalsContact CZ-NE2 3.26Å; F184-P236 HydrophobicContact CD1-CB 4.49Å; F184-P236 HydrophobicContact CD1-CG 3.67Å; F184-P236 HydrophobicContact CD2-CB 4.32Å; F184-P236 HydrophobicContact CD2-CG 3.92Å; F184-P236 HydrophobicContact CE1-CB 4Å; F184-P236 HydrophobicContact CE1-CG 3.61Å; F184-P236 HydrophobicContact CE2-CB 3.79Å; F184-P236 HydrophobicContact CE2-CG 3.85Å; F184-P236 HydrophobicContact CG-CG 3.83Å; F184-P236 HydrophobicContact CZ-CB 3.63Å; F184-P236 HydrophobicContact CZ-CG 3.71Å; F184-D238 WeakPolarHBondContact CE2-O 3.42Å; F184-D239 VanDerWaalsContact CD2-OD1 3.22Å; F184-D239 WeakPolarHBondContact CD2-OD1 3.18Å; F184-D239 WeakPolarHBondContact CE2-OD1 3.36Å; F184-I241 HydrophobicContact CZ-CB 4.11Å; F184-I241 VanDerWaalsContact CZ-O 3.29Å; F184-I241 WeakPolarHBondContact CZ-O 3.31Å; F184-Y243 HydrophobicContact CD1-CE2 4.4Å; F184-Y243 AromaticContact CE1-CD2 3.71Å; F184-Y243 HydrophobicContact CE1-CD2 3.71Å; F184-Y243 AromaticContact CE1-CE2 3.46Å; F184-Y243 HydrophobicContact CE1-CE2 3.46Å; F184-Y243 VanDerWaalsContact CE1-CE2 3.46Å; F184-Y243 HydrophobicContact CE1-CG 4.47Å; F184-Y243 HydrophobicContact CZ-CD2 4.43Å; F184-Y243 HydrophobicContact CZ-CE2 4.12Å
185	L	89.2	Confident	88.2	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-69.3	-27.5	-173.7	-67.5	172	0	0	0	113.1	I163 L181 H187 Q188 Y192 I194 Y243	I163-L185 HydrophobicContact CD1-CD1 3.85Å; I163-L185 HydrophobicContact CG1-CD1 4.21Å; L181-L185 HydrophobicContact CB-CD1 4.24Å; L181-L185 VanDerWaalsContact O-CB 3.23Å; L181-L185 WeakPolarHBondContact O-CB 3.23Å; L181-L185 WeakPolarHBondContact O-CG 3.47Å; L181-L185 PolarHBondContact O-N 2.91Å; L185-H187 VanDerWaalsContact C-N 3.27Å; L185-H187 PolarHBondContact O-N 2.86Å; L185-Q188 WeakPolarHBondContact O-CB 3.48Å; L185-Q188 PolarHBondContact O-N 3.04Å; L185-Q188 VanDerWaalsContact O-N 3.13Å; L185-Y192 HydrophobicContact CB-CD1 3.63Å; L185-Y192 HydrophobicContact CB-CE1 3.29Å; L185-Y192 HydrophobicContact CB-CE2 4.24Å; L185-Y192 HydrophobicContact CB-CG 4.28Å; L185-Y192 HydrophobicContact CD1-CD1 4.12Å; L185-Y192 HydrophobicContact CD1-CD2 3.73Å; L185-Y192 HydrophobicContact CD1-CE1 4.26Å; L185-Y192 HydrophobicContact CD1-CE2 3.86Å; L185-Y192 HydrophobicContact CD1-CG 3.89Å; L185-Y192 HydrophobicContact CG-CD1 4.42Å; L185-Y192 HydrophobicContact CG-CE1 4.39Å; L185-I194 HydrophobicContact CD1-CD1 4.48Å; L185-Y243 HydrophobicContact CD2-CD1 3.52Å; L185-Y243 HydrophobicContact CD2-CD2 4.29Å; L185-Y243 HydrophobicContact CD2-CE1 4.19Å; L185-Y243 HydrophobicContact CD2-CG 3.58Å
186	R	85.5	Confident	88.7	Confident	106 Å²	106	28.9 Å²	28.9	40%	0.4	13%	0.134	S	C	.	.	H	α-helix	trans	-63.3	-34.4	177.1	-74.3	-169.9	-59.4	121	2.6	112.5	W150 H182 F184 Q188 R189 Y192	W150-R186 HydrophobicContact CD2-CG 4.25Å; W150-R186 HydrophobicContact CH2-CB 4.13Å; W150-R186 HydrophobicContact CH2-CG 4.03Å; W150-R186 HydrophobicContact CZ2-CB 3.98Å; W150-R186 HydrophobicContact CZ2-CG 3.5Å; W150-R186 VanDerWaalsContact CZ2-CG 3.5Å; H182-R186 WeakPolarHBondContact O-CG 3.5Å; H182-R186 PolarHBondContact O-NE 3.44Å; F184-R186 VanDerWaalsContact C-N 3.31Å; F184-R186 PolarHBondContact O-N 3.45Å; R186-Q188 PolarHBondContact O-N 2.95Å; R186-R189 PolarHBondContact O-N 2.82Å; R186-Y192 WeakPolarHBondContact CG-OH 3.28Å
187	H	83.4	Confident	89.2	Confident	63 Å²	63	26.7 Å²	26.7	29%	0.292	12%	0.12	S	C	.	.	H	α-helix	trans	-63.1	-28.4	177.2	-62.4	168.3	0	0	0	111.9	S48 F184 L185 R189 D239	S48-H187 VanDerWaalsContact CB-CE1 3.46Å; S48-H187 WeakPolarHBondContact CB-CE1 3.29Å; F184-H187 PolarHBondContact O-N 2.89Å; L185-H187 VanDerWaalsContact C-N 3.27Å; L185-H187 PolarHBondContact O-N 2.86Å; H187-R189 VanDerWaalsContact C-N 3.32Å; H187-R189 PolarHBondContact O-N 3.16Å; H187-D239 IonicContact CE1-OD2 3.96Å; H187-D239 IonicContact CG-OD2 3.02Å; H187-D239 IonicContact ND1-OD1 2.72Å; H187-D239 IonicContact ND1-OD2 3.26Å; H187-D239 PolarHBondContact ND1-OD2 2.88Å
188	Q	86.2	Confident	89.6	Confident	26 Å²	26	28.9 Å²	28.9	12%	0.121	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.4	-179.3	-46.9	-170.1	4.8	0	0	113.6	F184 L185 R186 I190 I241	F184-Q188 VanDerWaalsContact CZ-NE2 3.26Å; L185-Q188 WeakPolarHBondContact O-CB 3.48Å; L185-Q188 PolarHBondContact O-N 3.04Å; L185-Q188 VanDerWaalsContact O-N 3.13Å; R186-Q188 PolarHBondContact O-N 2.95Å; Q188-I190 HydrophobicContact CB-CD1 3.9Å; Q188-I190 HydrophobicContact CB-CG1 4.46Å; Q188-I190 PolarHBondContact O-N 2.78Å; Q188-I241 PolarHBondContact NE2-O 3.24Å
189	R	83	Confident	90.1	Very high	158 Å²	158	28.8 Å²	28.8	60%	0.596	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	38.1	-180	-56.5	-177.4	179.6	-175.5	-0.8	113.6	P152 R186 H187	P152-R189 HydrophobicContact CB-CB 4.06Å; P152-R189 HydrophobicContact CB-CG 4.49Å; P152-R189 HydrophobicContact CG-CB 4.34Å; P152-R189 WeakPolarHBondContact CG-O 3.32Å; R186-R189 PolarHBondContact O-N 2.82Å; H187-R189 VanDerWaalsContact C-N 3.32Å; H187-R189 PolarHBondContact O-N 3.16Å
190	I	84.2	Confident	90.6	Very high	24 Å²	24	26 Å²	26	12%	0.123	11%	0.114	C	C	.	.			trans	-109.1	135.6	174.8	-66.3	153.2	0	0	0	108.6	W150 Q188 Y192 I242 T244	W150-I190 WeakPolarHBondContact CZ3-O 3.48Å; Q188-I190 HydrophobicContact CB-CD1 3.9Å; Q188-I190 HydrophobicContact CB-CG1 4.46Å; Q188-I190 PolarHBondContact O-N 2.78Å; I190-Y192 WeakPolarHBondContact O-CD1 3.44Å; I190-Y192 PolarHBondContact O-N 2.95Å; I190-I242 HydrophobicContact CD1-CG2 3.94Å; I190-T244 HydrophobicContact CD1-CG2 3.36Å; I190-T244 HydrophobicContact CG1-CG2 4.3Å
191	P	86.8	Confident	91	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.058	13%	0.131	C	C	.	.			trans	-58.2	129.7	168.9	-26.5	30.1	0	0	0	112.2	I149 W150 P157 L159 S160 S161	I149-P191 HydrophobicContact CG2-CB 3.85Å; W150-P191 CarbonylContact O-C 3.5Å; W150-P191 WeakPolarHBondContact O-CA 3.5Å; P157-P191 HydrophobicContact CB-CG 3.59Å; P157-P191 HydrophobicContact CG-CG 3.06Å; L159-P191 VanDerWaalsContact O-CD 3.25Å; L159-P191 WeakPolarHBondContact O-CD 3.09Å; S160-P191 CarbonylContact C-O 3.5Å; S160-P191 VanDerWaalsContact CA-O 3.3Å; S160-P191 WeakPolarHBondContact CA-O 3.15Å; S161-P191 PolarHBondContact N-O 3.02Å
192	Y	91.3	Very high	91.2	Very high	6 Å²	6	33.8 Å²	33.8	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.1	178.5	65.6	-97.4	0	0	0	113.4	W150 S161 I163 H182 L185 R186 I190 I194	W150-Y192 HydrophobicContact CB-CD1 4.4Å; W150-Y192 HydrophobicContact CB-CD2 4.29Å; W150-Y192 HydrophobicContact CB-CE1 4.04Å; W150-Y192 HydrophobicContact CB-CE2 3.93Å; W150-Y192 HydrophobicContact CB-CG 4.5Å; W150-Y192 HydrophobicContact CD2-CD1 4.32Å; W150-Y192 AromaticContact CD2-CE1 3.57Å; W150-Y192 HydrophobicContact CD2-CE1 3.57Å; W150-Y192 AromaticContact CD2-CZ 3.89Å; W150-Y192 AromaticContact CE3-CD1 3.61Å; W150-Y192 HydrophobicContact CE3-CD1 3.61Å; W150-Y192 AromaticContact CE3-CE1 3.17Å; W150-Y192 HydrophobicContact CE3-CE1 3.17Å; W150-Y192 AromaticContact CE3-CZ 3.98Å; W150-Y192 AromaticContact CG-CE1 3.94Å; W150-Y192 HydrophobicContact CG-CE1 3.94Å; W150-Y192 HydrophobicContact CG-CE2 4.43Å; W150-Y192 AromaticContact CG-CZ 3.8Å; W150-Y192 HydrophobicContact CZ3-CD1 4.29Å; W150-Y192 AromaticContact CZ3-CE1 3.84Å; W150-Y192 HydrophobicContact CZ3-CE1 3.84Å; W150-Y192 PolarHBondContact N-O 2.89Å; W150-Y192 PolarHBondContact O-N 3.17Å; W150-Y192 VanDerWaalsContact O-N 3.09Å; S161-Y192 WeakPolarHBondContact O-CA 3.4Å; I163-Y192 HydrophobicContact CD1-CD2 4.23Å; I163-Y192 HydrophobicContact CD1-CG 4.16Å; H182-Y192 PolarHBondContact CE1-OH 3.33Å; H182-Y192 AromaticContact ND1-CZ 3.94Å; H182-Y192 PolarHBondContact ND1-OH 3.05Å; L185-Y192 HydrophobicContact CB-CD1 3.63Å; L185-Y192 HydrophobicContact CB-CE1 3.29Å; L185-Y192 HydrophobicContact CB-CE2 4.24Å; L185-Y192 HydrophobicContact CB-CG 4.28Å; L185-Y192 HydrophobicContact CD1-CD1 4.12Å; L185-Y192 HydrophobicContact CD1-CD2 3.73Å; L185-Y192 HydrophobicContact CD1-CE1 4.26Å; L185-Y192 HydrophobicContact CD1-CE2 3.86Å; L185-Y192 HydrophobicContact CD1-CG 3.89Å; L185-Y192 HydrophobicContact CG-CD1 4.42Å; L185-Y192 HydrophobicContact CG-CE1 4.39Å; R186-Y192 WeakPolarHBondContact CG-OH 3.28Å; I190-Y192 WeakPolarHBondContact O-CD1 3.44Å; I190-Y192 PolarHBondContact O-N 2.95Å; Y192-I194 HydrophobicContact CD2-CG1 4.1Å; Y192-I194 HydrophobicContact CE2-CD1 4.27Å; Y192-I194 HydrophobicContact CE2-CG1 4.26Å
193	T	90.4	Very high	91.5	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.4	167.2	-53.7	0	0	0	0	108.6	P147 I148 I149 S161 I163 F195 Y224	P147-T193 HydrophobicContact CB-CG2 3.88Å; I148-T193 PolarHBondContact O-OG1 2.92Å; I149-T193 WeakPolarHBondContact CG1-OG1 3.33Å; S161-T193 PolarHBondContact O-N 2.87Å; S161-T193 VanDerWaalsContact O-N 3.15Å; I163-T193 PolarHBondContact N-O 2.79Å; T193-F195 VanDerWaalsContact CB-CE2 3.45Å; T193-F195 HydrophobicContact CG2-CD1 4.21Å; T193-F195 HydrophobicContact CG2-CD2 3.92Å; T193-F195 HydrophobicContact CG2-CE1 3.77Å; T193-F195 HydrophobicContact CG2-CE2 3.47Å; T193-F195 VanDerWaalsContact CG2-CE2 3.47Å; T193-F195 HydrophobicContact CG2-CG 4.29Å; T193-F195 HydrophobicContact CG2-CZ 3.39Å; T193-Y224 WeakPolarHBondContact CB-OH 3.43Å; T193-Y224 PolarHBondContact OG1-OH 3.32Å
194	I	96	Very high	92.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.2	174.3	-57.7	174.9	0	0	0	108.3	I163 I165 L181 L185 Y192 I196 I372 Y373	I163-I194 HydrophobicContact CB-CG1 4.49Å; I165-I194 HydrophobicContact CD1-CG2 3.7Å; L181-I194 HydrophobicContact CB-CD1 4.11Å; L185-I194 HydrophobicContact CD1-CD1 4.48Å; Y192-I194 HydrophobicContact CD2-CG1 4.1Å; Y192-I194 HydrophobicContact CE2-CD1 4.27Å; Y192-I194 HydrophobicContact CE2-CG1 4.26Å; I194-I196 HydrophobicContact CG2-CD1 3.98Å; I194-I372 HydrophobicContact CB-CG2 4.06Å; I194-I372 HydrophobicContact CG2-CG2 3.89Å; I194-I372 CarbonylContact O-C 3.5Å; I194-I372 VanDerWaalsContact O-CA 3.32Å; I194-I372 WeakPolarHBondContact O-CA 3.24Å; I194-Y373 PolarHBondContact O-N 3.01Å
195	F	98.3	Very high	92.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.8	179.6	-66	-82.4	0	0	0	110.6	P147 A162 I163 I165 T193 I197 V218 F221 Y224 Y373	P147-F195 HydrophobicContact CB-CE1 3.93Å; P147-F195 HydrophobicContact CB-CZ 4.15Å; P147-F195 HydrophobicContact CG-CE1 4.14Å; P147-F195 HydrophobicContact CG-CZ 4.2Å; A162-F195 HydrophobicContact CB-CD2 4.06Å; A162-F195 HydrophobicContact CB-CE2 3.85Å; I163-F195 PolarHBondContact O-N 2.51Å; I165-F195 PolarHBondContact N-O 2.91Å; T193-F195 VanDerWaalsContact CB-CE2 3.45Å; T193-F195 HydrophobicContact CG2-CD1 4.21Å; T193-F195 HydrophobicContact CG2-CD2 3.92Å; T193-F195 HydrophobicContact CG2-CE1 3.77Å; T193-F195 HydrophobicContact CG2-CE2 3.47Å; T193-F195 VanDerWaalsContact CG2-CE2 3.47Å; T193-F195 HydrophobicContact CG2-CG 4.29Å; T193-F195 HydrophobicContact CG2-CZ 3.39Å; F195-I197 HydrophobicContact CB-CD1 4.23Å; F195-V218 HydrophobicContact CB-CG1 3.92Å; F195-V218 HydrophobicContact CD1-CB 4.33Å; F195-V218 HydrophobicContact CD1-CG1 3.35Å; F195-V218 HydrophobicContact CD2-CB 4.14Å; F195-V218 HydrophobicContact CD2-CG1 3.52Å; F195-V218 HydrophobicContact CE1-CB 4.05Å; F195-V218 HydrophobicContact CE1-CG1 3.55Å; F195-V218 HydrophobicContact CE2-CB 3.81Å; F195-V218 HydrophobicContact CE2-CG1 3.68Å; F195-V218 HydrophobicContact CG-CB 4.35Å; F195-V218 HydrophobicContact CG-CG1 3.32Å; F195-V218 HydrophobicContact CZ-CB 3.76Å; F195-V218 HydrophobicContact CZ-CG1 3.69Å; F195-F221 HydrophobicContact CE1-CD2 4.46Å; F195-Y224 HydrophobicContact CE2-CE1 4.45Å; F195-Y224 AromaticContact CE2-CE2 3.87Å; F195-Y224 HydrophobicContact CE2-CE2 3.87Å; F195-Y224 AromaticContact CE2-CZ 3.73Å; F195-Y224 AromaticContact CZ-CE2 3.87Å; F195-Y224 HydrophobicContact CZ-CE2 3.87Å; F195-Y224 AromaticContact CZ-CZ 3.81Å; F195-Y224 WeakPolarHBondContact CZ-OH 3.4Å; F195-Y373 CarbonylContact C-O 3.49Å; F195-Y373 WeakPolarHBondContact CA-O 3.29Å; F195-Y373 AromaticContact CD1-CD1 3.86Å; F195-Y373 HydrophobicContact CD1-CD1 3.86Å; F195-Y373 HydrophobicContact CD1-CG 4.11Å; F195-Y373 AromaticContact CE1-CD1 3.9Å; F195-Y373 HydrophobicContact CE1-CD1 3.9Å; F195-Y373 HydrophobicContact CE1-CG 4.04Å
196	I	98.7	Very high	93	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.9	174.4	-52.4	-48.6	0	0	0	108.1	I165 Y167 L174 I194 I372 Y373 W374 I375	I165-I196 HydrophobicContact CB-CD1 3.85Å; I165-I196 HydrophobicContact CD1-CD1 3.72Å; I165-I196 HydrophobicContact CG1-CD1 4.37Å; I165-I196 HydrophobicContact CG2-CD1 4.26Å; Y167-I196 HydrophobicContact CD1-CG2 4.18Å; Y167-I196 HydrophobicContact CD2-CG2 4.38Å; Y167-I196 HydrophobicContact CG-CG2 3.78Å; L174-I196 HydrophobicContact CD1-CD1 3.44Å; L174-I196 VanDerWaalsContact CD1-CD1 3.44Å; L174-I196 HydrophobicContact CD1-CG1 3.97Å; L174-I196 HydrophobicContact CD2-CG1 4.38Å; L174-I196 HydrophobicContact CD2-CG2 4.19Å; I194-I196 HydrophobicContact CG2-CD1 3.98Å; I196-I372 HydrophobicContact CG1-CB 4.22Å; I196-I372 HydrophobicContact CG1-CD1 3.75Å; I196-I372 HydrophobicContact CG1-CG1 4.49Å; I196-Y373 PolarHBondContact N-O 3.25Å; I196-W374 HydrophobicContact CB-CD2 4.27Å; I196-W374 HydrophobicContact CB-CE3 3.85Å; I196-W374 HydrophobicContact CB-CZ3 4.3Å; I196-W374 HydrophobicContact CG1-CE3 4.26Å; I196-W374 HydrophobicContact CG2-CD2 4.16Å; I196-W374 HydrophobicContact CG2-CE3 3.74Å; I196-W374 HydrophobicContact CG2-CH2 4.12Å; I196-W374 HydrophobicContact CG2-CZ2 4.48Å; I196-W374 HydrophobicContact CG2-CZ3 3.74Å; I196-I375 PolarHBondContact O-N 2.98Å
197	I	98.8	Very high	93.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	93	-178.3	-47	-56.9	0	0	0	108.3	I164 I165 Y167 F195 L210 I375 I377	I164-I197 HydrophobicContact CG2-CD1 4.39Å; I164-I197 HydrophobicContact CG2-CG1 3.58Å; I165-I197 PolarHBondContact O-N 3.05Å; Y167-I197 PolarHBondContact N-O 3.16Å; F195-I197 HydrophobicContact CB-CD1 4.23Å; I197-L210 HydrophobicContact CG2-CB 4.13Å; I197-L210 HydrophobicContact CG2-CD2 4.07Å; I197-L210 WeakPolarHBondContact CG2-O 3.38Å; I197-I375 CarbonylContact C-O 3.56Å; I197-I375 WeakPolarHBondContact CA-O 3.49Å; I197-I375 HydrophobicContact CD1-CB 4.04Å; I197-I375 HydrophobicContact CD1-CD1 4.07Å; I197-I375 HydrophobicContact CD1-CG1 4.3Å; I197-I377 HydrophobicContact CG2-CD1 3.39Å; I197-I377 HydrophobicContact CG2-CG1 3.98Å
198	E	98.6	Very high	94.4	Very high	46 Å²	46	33.4 Å²	33.4	22%	0.215	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.6	-176.9	175	-178.2	-132.7	0	0	111	Y167 I200 W374 I375 S376 I377	Y167-E198 HydrophobicContact CD1-CB 3.98Å; Y167-E198 HydrophobicContact CD1-CG 4Å; Y167-E198 HydrophobicContact CE1-CG 4.44Å; Y167-E198 CarbonylContact O-C 3.58Å; Y167-E198 VanDerWaalsContact O-CA 3.26Å; Y167-E198 WeakPolarHBondContact O-CA 3.43Å; E198-I200 HydrophobicContact CG-CG2 4.24Å; E198-W374 HydrophobicContact CB-CZ2 3.83Å; E198-W374 VanDerWaalsContact CD-CZ2 3.45Å; E198-W374 HydrophobicContact CG-CZ2 4.06Å; E198-W374 PolarHBondContact OE2-NE1 3.28Å; E198-I375 PolarHBondContact N-O 3.01Å; E198-S376 PolarHBondContact OE2-OG 2.94Å; E198-I377 PolarHBondContact O-N 3.26Å
199	Q	98.4	Very high	94.9	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.028	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.2	164.4	-167.9	174.3	-36.5	0	0	110.4	Y167 K204 F205 L210	Y167-Q199 PolarHBondContact O-N 2.84Å; Q199-K204 PolarHBondContact NE2-O 3.31Å; Q199-F205 HydrophobicContact CB-CD2 4.31Å; Q199-F205 HydrophobicContact CB-CE2 4.38Å; Q199-L210 HydrophobicContact CB-CD1 3.68Å; Q199-L210 HydrophobicContact CB-CD2 3.67Å; Q199-L210 HydrophobicContact CB-CG 4.17Å; Q199-L210 HydrophobicContact CG-CD2 4.19Å
200	I	97.3	Very high	95.7	Very high	47 Å²	47	24.7 Å²	24.7	24%	0.241	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-93	167.1	172.6	77	-179.6	0	0	0	111.3	E198 T362 I377 D378	E198-I200 HydrophobicContact CG-CG2 4.24Å; I200-T362 HydrophobicContact CD1-CG2 3.38Å; I200-T362 WeakPolarHBondContact CD1-OG1 3.47Å; I200-I377 PolarHBondContact N-O 3.49Å; I200-D378 HydrophobicContact CD1-CB 3.84Å; I200-D378 HydrophobicContact CG1-CB 3.84Å
201	G	94.3	Very high	96.4	Very high	41 Å²	41	23.5 Å²	23.5	42%	0.423	12%	0.117	S	C	.	.	S	Bend	trans	82.6	-177.9	177.4	0	0	0	0	0	114
202	E	94.4	Very high	97	Very high	138 Å²	138	23.1 Å²	23.1	65%	0.645	12%	0.115	S	C	*	.	S	Bend	trans	-104.1	14.8	-170.2	-59.4	-56.9	138.2	0	0	113.2	K169 L331	K169-E202 IonicContact NZ-OE2 3.19Å; E202-L331 HydrophobicContact CB-CD1 4.47Å; E202-L331 WeakPolarHBondContact O-CD1 3.46Å
203	R	95.3	Very high	97.3	Very high	76 Å²	76	22.8 Å²	22.8	29%	0.287	11%	0.113	S	C	.	.	S	Bend	trans	-75.6	159.2	173.2	-68.8	-174.9	66.6	-167.3	3	111	R168 E291 I379 H380	R168-R203 PolarHBondContact NH1-O 2.78Å; R203-E291 IonicContact CZ-OE1 2.99Å; R203-E291 IonicContact NE-OE1 3.43Å; R203-E291 IonicContact NH2-OE1 3.54Å; R203-E291 PolarHBondContact NH2-OE1 3.42Å; R203-I379 PolarHBondContact NH1-O 3.49Å; R203-H380 PolarHBondContact NH1-O 2.77Å
204	K	96.9	Very high	97.7	Very high	80 Å²	80	22.7 Å²	22.7	35%	0.348	11%	0.113	S	C	.	.	P	Polyproline II helix	trans	-57.7	145	172.1	-76.9	-177.4	177.4	179.6	0	111.3	Q199 N206 E291 L331 E333	Q199-K204 PolarHBondContact NE2-O 3.31Å; K204-N206 PolarHBondContact O-N 3.07Å; K204-E291 HydrophobicContact CB-CB 3.88Å; K204-L331 CarbonylContact C-O 3.59Å; K204-L331 VanDerWaalsContact CA-O 3.23Å; K204-L331 WeakPolarHBondContact CA-O 3.44Å; K204-E333 WeakPolarHBondContact CE-OE2 3.42Å
205	F	97.9	Very high	97.8	Very high	22 Å²	22	22.9 Å²	22.9	10%	0.096	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-60.5	131.4	-179.8	-167.9	-123.8	0	0	0	109	P166 R168 Q199 R207 L210 G292 L331 N332	P166-F205 HydrophobicContact CB-CZ 4.02Å; R168-F205 HydrophobicContact CB-CD2 3.94Å; R168-F205 HydrophobicContact CB-CE2 3.88Å; Q199-F205 HydrophobicContact CB-CD2 4.31Å; Q199-F205 HydrophobicContact CB-CE2 4.38Å; F205-R207 HydrophobicContact CD1-CB 4.04Å; F205-R207 HydrophobicContact CE1-CB 3.66Å; F205-R207 HydrophobicContact CE1-CG 4.12Å; F205-R207 HydrophobicContact CZ-CB 4.45Å; F205-L210 HydrophobicContact CD2-CD1 3.89Å; F205-L210 HydrophobicContact CE2-CD1 3.21Å; F205-L210 HydrophobicContact CZ-CD1 3.66Å; F205-G292 PolarHBondContact O-N 3.49Å; F205-L331 PolarHBondContact N-O 3.48Å; F205-N332 HydrophobicContact CB-CB 4.28Å
206	N	98	Very high	97.8	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	13%	0.127	C	C	.	.			trans	-123.4	80.6	177.7	-169.2	-30.6	0	0	0	108.4	K204 G208 A209 L210 N288 Y290	K204-N206 PolarHBondContact O-N 3.07Å; N206-G208 VanDerWaalsContact C-N 3.32Å; N206-G208 PolarHBondContact O-N 2.89Å; N206-A209 HydrophobicContact CB-CB 4.03Å; N206-A209 PolarHBondContact O-N 2.91Å; N206-A209 WeakPolarHBondContact OD1-CB 3.49Å; N206-A209 PolarHBondContact OD1-N 2.98Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 3.3Å; N206-N288 PolarHBondContact ND2-O 3.26Å; N206-Y290 PolarHBondContact OD1-O 3.37Å
207	R	98.3	Very high	97.7	Very high	16 Å²	16	25.6 Å²	25.6	6%	0.06	13%	0.128	C	C	.	.	H	α-helix	trans	-54.9	-47.3	-175.1	-177.2	173.9	154.8	-85.9	-0.9	112	P166 F205 L210 L211 D231 E296 D297	P166-R207 HydrophobicContact CB-CG 4.26Å; P166-R207 HydrophobicContact CG-CG 3.75Å; F205-R207 HydrophobicContact CD1-CB 4.04Å; F205-R207 HydrophobicContact CE1-CB 3.66Å; F205-R207 HydrophobicContact CE1-CG 4.12Å; F205-R207 HydrophobicContact CZ-CB 4.45Å; R207-L210 PolarHBondContact O-N 3.39Å; R207-L211 HydrophobicContact CG-CD1 4.11Å; R207-L211 WeakPolarHBondContact O-CG 3.29Å; R207-L211 PolarHBondContact O-N 3.09Å; R207-D231 IonicContact CZ-OD1 3.97Å; R207-D231 VanDerWaalsContact CZ-OD1 3.26Å; R207-D231 IonicContact NE-OD1 2.75Å; R207-D231 PolarHBondContact NE-OD1 3.02Å; R207-D231 IonicContact NH2-OD1 3.07Å; R207-D231 PolarHBondContact NH2-OD1 2.92Å; R207-E296 IonicContact CZ-OE1 3.51Å; R207-E296 IonicContact NH1-OE1 3.53Å; R207-E296 PolarHBondContact NH1-OE1 3.32Å; R207-E296 VanDerWaalsContact NH1-OE1 3.07Å; R207-D297 IonicContact CZ-OD1 2.66Å; R207-D297 VanDerWaalsContact CZ-OD1 3.31Å; R207-D297 IonicContact CZ-OD2 2.63Å; R207-D297 IonicContact NH1-OD1 3.56Å; R207-D297 PolarHBondContact NH1-OD1 2.87Å; R207-D297 IonicContact NH1-OD2 3.43Å; R207-D297 PolarHBondContact NH1-OD2 3.48Å; R207-D297 IonicContact NH2-OD1 3.62Å; R207-D297 PolarHBondContact NH2-OD1 3.24Å; R207-D297 VanDerWaalsContact NH2-OD1 3.09Å; R207-D297 IonicContact NH2-OD2 3.72Å
208	G	98.4	Very high	97.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-46.2	179.5	0	0	0	0	0	112.7	N206 L210 L211 N212 F286	N206-G208 VanDerWaalsContact C-N 3.32Å; N206-G208 PolarHBondContact O-N 2.89Å; G208-L210 VanDerWaalsContact C-N 3.33Å; G208-L210 PolarHBondContact O-N 3.14Å; G208-L211 PolarHBondContact O-N 3.12Å; G208-N212 WeakPolarHBondContact O-CB 3.24Å; G208-N212 PolarHBondContact O-N 2.93Å; G208-F286 VanDerWaalsContact CA-CB 3.47Å
209	A	98.5	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-36.6	177.1	0	0	0	0	0	112.6	N206 N212 A213 N288 L357 I379	N206-A209 HydrophobicContact CB-CB 4.03Å; N206-A209 PolarHBondContact O-N 2.91Å; N206-A209 WeakPolarHBondContact OD1-CB 3.49Å; N206-A209 PolarHBondContact OD1-N 2.98Å; A209-N212 PolarHBondContact O-N 3.15Å; A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 2.9Å; A209-N288 HydrophobicContact CB-CB 4.47Å; A209-L357 HydrophobicContact CB-CD1 3.8Å; A209-L357 WeakPolarHBondContact O-CD2 3.32Å; A209-I379 HydrophobicContact CB-CD1 3.91Å; A209-I379 HydrophobicContact CB-CG1 4.45Å; A209-I379 HydrophobicContact CB-CG2 4.36Å
210	L	98.8	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.6	-40.8	174.9	-66.1	166.5	0	0	0	112.4	P166 I197 Q199 F205 N206 R207 G208 N212 A213 G214 I377 I379	P166-L210 HydrophobicContact CB-CB 3.82Å; P166-L210 HydrophobicContact CB-CD1 3.94Å; I197-L210 HydrophobicContact CG2-CB 4.13Å; I197-L210 HydrophobicContact CG2-CD2 4.07Å; I197-L210 WeakPolarHBondContact CG2-O 3.38Å; Q199-L210 HydrophobicContact CB-CD1 3.68Å; Q199-L210 HydrophobicContact CB-CD2 3.67Å; Q199-L210 HydrophobicContact CB-CG 4.17Å; Q199-L210 HydrophobicContact CG-CD2 4.19Å; F205-L210 HydrophobicContact CD2-CD1 3.89Å; F205-L210 HydrophobicContact CE2-CD1 3.21Å; F205-L210 HydrophobicContact CZ-CD1 3.66Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 3.3Å; R207-L210 PolarHBondContact O-N 3.39Å; G208-L210 VanDerWaalsContact C-N 3.33Å; G208-L210 PolarHBondContact O-N 3.14Å; L210-N212 VanDerWaalsContact C-N 3.33Å; L210-A213 PolarHBondContact O-N 3.27Å; L210-G214 PolarHBondContact O-N 3.03Å; L210-I377 HydrophobicContact CD2-CB 4.3Å; L210-I379 HydrophobicContact CD2-CD1 4.27Å; L210-I379 HydrophobicContact CD2-CG1 4.29Å
211	L	98.9	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-41.6	175.9	-73.1	170.1	0	0	0	111.1	I164 P166 R207 G208 G214 F215 L229 F286	I164-L211 HydrophobicContact CB-CD2 4.41Å; I164-L211 HydrophobicContact CG2-CD2 3.96Å; P166-L211 HydrophobicContact CB-CD2 4.41Å; P166-L211 HydrophobicContact CB-CG 4.29Å; P166-L211 HydrophobicContact CG-CD1 4.32Å; P166-L211 HydrophobicContact CG-CD2 3.89Å; P166-L211 HydrophobicContact CG-CG 3.94Å; R207-L211 HydrophobicContact CG-CD1 4.11Å; R207-L211 WeakPolarHBondContact O-CG 3.29Å; R207-L211 PolarHBondContact O-N 3.09Å; G208-L211 PolarHBondContact O-N 3.12Å; L211-G214 PolarHBondContact O-N 2.69Å; L211-F215 WeakPolarHBondContact O-CB 3.46Å; L211-F215 PolarHBondContact O-N 2.84Å; L211-L229 HydrophobicContact CD1-CB 4.32Å; L211-L229 HydrophobicContact CD2-CB 3.94Å; L211-L229 HydrophobicContact CD2-CD2 4.24Å; L211-F286 HydrophobicContact CB-CD2 3.92Å; L211-F286 HydrophobicContact CB-CE2 3.87Å; L211-F286 HydrophobicContact CD1-CD2 4.06Å; L211-F286 HydrophobicContact CD1-CE1 4.45Å; L211-F286 HydrophobicContact CD1-CE2 3.33Å; L211-F286 HydrophobicContact CD1-CZ 3.54Å; L211-F286 HydrophobicContact CG-CE2 4.22Å
212	N	98.8	Very high	95.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-49.8	172	-77.8	-8.6	0	0	0	112.5	G208 A209 L210 G214 F215 L216 Y280 G285 F286 N288 L354 L357	G208-N212 WeakPolarHBondContact O-CB 3.24Å; G208-N212 PolarHBondContact O-N 2.93Å; A209-N212 PolarHBondContact O-N 3.15Å; L210-N212 VanDerWaalsContact C-N 3.33Å; N212-G214 VanDerWaalsContact C-N 3.31Å; N212-G214 PolarHBondContact O-N 3.46Å; N212-F215 WeakPolarHBondContact O-CB 3.17Å; N212-F215 PolarHBondContact O-N 3Å; N212-L216 WeakPolarHBondContact O-CG 3.29Å; N212-L216 PolarHBondContact O-N 2.73Å; N212-Y280 PolarHBondContact OD1-OH 2.04Å; N212-G285 WeakPolarHBondContact OD1-CA 2.89Å; N212-F286 PolarHBondContact ND2-N 2.78Å; N212-F286 PolarHBondContact ND2-O 2.99Å; N212-F286 PolarHBondContact OD1-N 3.37Å; N212-N288 PolarHBondContact ND2-OD1 2.82Å; N212-L354 HydrophobicContact CB-CD2 3.76Å; N212-L357 HydrophobicContact CB-CD2 3.44Å; N212-L357 VanDerWaalsContact CB-CD2 3.44Å
213	A	98.7	Very high	95.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-42.5	178.5	0	0	0	0	0	111.1	A209 L210 F215 L216 E217 L357 Y359 I377	A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 2.9Å; L210-A213 PolarHBondContact O-N 3.27Å; A213-F215 PolarHBondContact O-N 3.34Å; A213-L216 PolarHBondContact O-N 3.46Å; A213-E217 WeakPolarHBondContact O-CB 3.49Å; A213-E217 WeakPolarHBondContact O-CG 3.46Å; A213-E217 PolarHBondContact O-N 3.28Å; A213-L357 HydrophobicContact CB-CD2 3.93Å; A213-Y359 HydrophobicContact CB-CD1 4.07Å; A213-Y359 HydrophobicContact CB-CD2 4.14Å; A213-Y359 HydrophobicContact CB-CE1 3.94Å; A213-Y359 HydrophobicContact CB-CE2 4.02Å; A213-Y359 HydrophobicContact CB-CG 4.15Å; A213-I377 HydrophobicContact CB-CD1 3.41Å; A213-I377 VanDerWaalsContact CB-CD1 3.41Å; A213-I377 HydrophobicContact CB-CG2 4.34Å
214	G	98.5	Very high	95.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.5	-51.3	172.6	0	0	0	0	0	111.7	L210 L211 N212 L216 E217 V218	L210-G214 PolarHBondContact O-N 3.03Å; L211-G214 PolarHBondContact O-N 2.69Å; N212-G214 VanDerWaalsContact C-N 3.31Å; N212-G214 PolarHBondContact O-N 3.46Å; G214-L216 VanDerWaalsContact C-N 3.29Å; G214-L216 PolarHBondContact O-N 3.15Å; G214-E217 PolarHBondContact O-N 2.71Å; G214-V218 VanDerWaalsContact O-CG1 3.24Å; G214-V218 WeakPolarHBondContact O-CG1 3.3Å; G214-V218 WeakPolarHBondContact O-CG2 3.45Å; G214-V218 PolarHBondContact O-N 2.86Å
215	F	98.7	Very high	94.8	Very high	5 Å²	5	28 Å²	28	2%	0.022	13%	0.134	C	C	.	.	H	α-helix	trans	-55.3	-45.1	177.6	171.7	-90.9	0	0	0	112.2	I164 L211 N212 A213 S219 F227 R277 Y280 L281 L354	I164-F215 HydrophobicContact CD1-CB 4.26Å; L211-F215 WeakPolarHBondContact O-CB 3.46Å; L211-F215 PolarHBondContact O-N 2.84Å; N212-F215 WeakPolarHBondContact O-CB 3.17Å; N212-F215 PolarHBondContact O-N 3Å; A213-F215 PolarHBondContact O-N 3.34Å; F215-S219 VanDerWaalsContact O-CB 3.27Å; F215-S219 WeakPolarHBondContact O-CB 3.42Å; F215-S219 PolarHBondContact O-N 2.8Å; F215-S219 PolarHBondContact O-OG 2.74Å; F215-F227 AromaticContact CD2-CD1 3.49Å; F215-F227 HydrophobicContact CD2-CD1 3.49Å; F215-F227 VanDerWaalsContact CD2-CD1 3.49Å; F215-F227 HydrophobicContact CD2-CD2 4.16Å; F215-F227 AromaticContact CD2-CE1 3.38Å; F215-F227 HydrophobicContact CD2-CE1 3.38Å; F215-F227 HydrophobicContact CD2-CE2 4.12Å; F215-F227 AromaticContact CD2-CG 3.86Å; F215-F227 HydrophobicContact CD2-CG 3.86Å; F215-F227 AromaticContact CD2-CZ 3.71Å; F215-F227 HydrophobicContact CD2-CZ 3.71Å; F215-F227 AromaticContact CE2-CD1 3.99Å; F215-F227 HydrophobicContact CE2-CD1 3.99Å; F215-F227 AromaticContact CE2-CD2 3.86Å; F215-F227 HydrophobicContact CE2-CD2 3.86Å; F215-F227 AromaticContact CE2-CE1 3.65Å; F215-F227 HydrophobicContact CE2-CE1 3.65Å; F215-F227 AromaticContact CE2-CE2 3.57Å; F215-F227 HydrophobicContact CE2-CE2 3.57Å; F215-F227 HydrophobicContact CE2-CG 4.05Å; F215-F227 AromaticContact CE2-CZ 3.42Å; F215-F227 HydrophobicContact CE2-CZ 3.42Å; F215-F227 VanDerWaalsContact CE2-CZ 3.42Å; F215-F227 HydrophobicContact CG-CE1 4.34Å; F215-F227 HydrophobicContact CZ-CZ 4.35Å; F215-R277 HydrophobicContact CZ-CG 4.26Å; F215-Y280 HydrophobicContact CB-CD1 3.96Å; F215-Y280 HydrophobicContact CB-CE1 3.56Å; F215-Y280 AromaticContact CD1-CD1 3.7Å; F215-Y280 HydrophobicContact CD1-CD1 3.7Å; F215-Y280 AromaticContact CD1-CE1 3.95Å; F215-Y280 HydrophobicContact CD1-CE1 3.95Å; F215-Y280 AromaticContact CD2-CD1 3.28Å; F215-Y280 HydrophobicContact CD2-CD1 3.28Å; F215-Y280 AromaticContact CD2-CE1 3.82Å; F215-Y280 HydrophobicContact CD2-CE1 3.82Å; F215-Y280 HydrophobicContact CD2-CG 4.06Å; F215-Y280 AromaticContact CE1-CD1 3.99Å; F215-Y280 HydrophobicContact CE1-CD1 3.99Å; F215-Y280 AromaticContact CE2-CD1 3.59Å; F215-Y280 HydrophobicContact CE2-CD1 3.59Å; F215-Y280 HydrophobicContact CE2-CG 4.13Å; F215-Y280 AromaticContact CG-CD1 3.35Å; F215-Y280 HydrophobicContact CG-CD1 3.35Å; F215-Y280 AromaticContact CG-CE1 3.49Å; F215-Y280 HydrophobicContact CG-CE1 3.49Å; F215-Y280 VanDerWaalsContact CG-CE1 3.49Å; F215-Y280 HydrophobicContact CG-CG 4.5Å; F215-Y280 AromaticContact CZ-CD1 3.94Å; F215-Y280 HydrophobicContact CZ-CD1 3.94Å; F215-L281 HydrophobicContact CE1-CD2 3.64Å; F215-L281 HydrophobicContact CE1-CG 4.22Å; F215-L281 HydrophobicContact CZ-CD2 3.85Å; F215-L281 HydrophobicContact CZ-CG 3.9Å; F215-L354 HydrophobicContact CD1-CD1 4.13Å; F215-L354 HydrophobicContact CD1-CD2 3.8Å; F215-L354 HydrophobicContact CE1-CD1 4.07Å; F215-L354 HydrophobicContact CE1-CD2 4.49Å
216	L	98.1	Very high	94.8	Very high	54 Å²	54	27.1 Å²	27.1	28%	0.283	13%	0.131	S	C	.	.	H	α-helix	trans	-65.5	-45.2	178.6	-67.7	171	0	0	0	112	N212 A213 G214 L354 L357 Y359	N212-L216 WeakPolarHBondContact O-CG 3.29Å; N212-L216 PolarHBondContact O-N 2.73Å; A213-L216 PolarHBondContact O-N 3.46Å; G214-L216 VanDerWaalsContact C-N 3.29Å; G214-L216 PolarHBondContact O-N 3.15Å; L216-L354 HydrophobicContact CD1-CD2 4.25Å; L216-L354 HydrophobicContact CD2-CD2 4.2Å; L216-L354 HydrophobicContact CG-CD2 3.95Å; L216-L357 HydrophobicContact CD1-CD2 4.4Å; L216-Y359 WeakPolarHBondContact CB-OH 3.46Å; L216-Y359 HydrophobicContact CD1-CE1 4Å
217	E	96.3	Very high	94.9	Very high	3 Å²	3	27 Å²	27	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-68.5	-46.2	-179.4	-70.2	-50.6	129.1	0	0	112.6	Y144 A213 G214 S219 K220 F221 Y359 V361 I375	Y144-E217 PolarHBondContact OH-OE2 3Å; A213-E217 WeakPolarHBondContact O-CB 3.49Å; A213-E217 WeakPolarHBondContact O-CG 3.46Å; A213-E217 PolarHBondContact O-N 3.28Å; G214-E217 PolarHBondContact O-N 2.71Å; E217-S219 PolarHBondContact O-N 3.38Å; E217-K220 WeakPolarHBondContact O-CB 3.29Å; E217-K220 PolarHBondContact O-N 3.17Å; E217-K220 VanDerWaalsContact O-N 3.12Å; E217-K220 WeakPolarHBondContact OE1-CE 3.49Å; E217-K220 IonicContact OE1-NZ 2.79Å; E217-K220 PolarHBondContact OE1-NZ 3.26Å; E217-K220 WeakPolarHBondContact OE2-CE 3.25Å; E217-K220 IonicContact OE2-NZ 2.6Å; E217-K220 PolarHBondContact OE2-NZ 2.9Å; E217-F221 WeakPolarHBondContact O-CE2 3.37Å; E217-Y359 HydrophobicContact CG-CE2 4.01Å; E217-Y359 WeakPolarHBondContact OE1-CE2 3.2Å; E217-Y359 VanDerWaalsContact OE1-CZ 3.29Å; E217-Y359 PolarHBondContact OE1-OH 3.4Å; E217-V361 HydrophobicContact CG-CG2 3.97Å; E217-I375 HydrophobicContact CB-CD1 3.75Å; E217-I375 HydrophobicContact CG-CD1 4.43Å; E217-I375 HydrophobicContact CG-CG2 4.34Å
218	V	93.5	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.3	-29.5	-176.2	-53.9	0	0	0	0	111.9	A162 I164 F195 G214 K220 F221 F227	A162-V218 HydrophobicContact CB-CG2 4.23Å; I164-V218 HydrophobicContact CD1-CG2 3.92Å; I164-V218 HydrophobicContact CG1-CG2 4.5Å; F195-V218 HydrophobicContact CB-CG1 3.92Å; F195-V218 HydrophobicContact CD1-CB 4.33Å; F195-V218 HydrophobicContact CD1-CG1 3.35Å; F195-V218 HydrophobicContact CD2-CB 4.14Å; F195-V218 HydrophobicContact CD2-CG1 3.52Å; F195-V218 HydrophobicContact CE1-CB 4.05Å; F195-V218 HydrophobicContact CE1-CG1 3.55Å; F195-V218 HydrophobicContact CE2-CB 3.81Å; F195-V218 HydrophobicContact CE2-CG1 3.68Å; F195-V218 HydrophobicContact CG-CB 4.35Å; F195-V218 HydrophobicContact CG-CG1 3.32Å; F195-V218 HydrophobicContact CZ-CB 3.76Å; F195-V218 HydrophobicContact CZ-CG1 3.69Å; G214-V218 VanDerWaalsContact O-CG1 3.24Å; G214-V218 WeakPolarHBondContact O-CG1 3.3Å; G214-V218 WeakPolarHBondContact O-CG2 3.45Å; G214-V218 PolarHBondContact O-N 2.86Å; V218-K220 PolarHBondContact O-N 3.42Å; V218-F221 PolarHBondContact O-N 2.85Å; V218-F227 HydrophobicContact CG2-CD1 4.27Å; V218-F227 HydrophobicContact CG2-CE1 3.66Å
219	S	93.9	Very high	94.9	Very high	38 Å²	38	26.2 Å²	26.2	27%	0.266	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.8	176.3	-64.8	0	0	0	0	113.3	F215 E217	F215-S219 VanDerWaalsContact O-CB 3.27Å; F215-S219 WeakPolarHBondContact O-CB 3.42Å; F215-S219 PolarHBondContact O-N 2.8Å; F215-S219 PolarHBondContact O-OG 2.74Å; E217-S219 PolarHBondContact O-N 3.38Å
220	K	89.2	Confident	94.9	Very high	125 Å²	125	26.2 Å²	26.2	54%	0.543	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-26.4	175.2	-59.8	175	-171.7	172.7	0	113.2	E217 V218	E217-K220 WeakPolarHBondContact O-CB 3.29Å; E217-K220 PolarHBondContact O-N 3.17Å; E217-K220 VanDerWaalsContact O-N 3.12Å; E217-K220 WeakPolarHBondContact OE1-CE 3.49Å; E217-K220 IonicContact OE1-NZ 2.79Å; E217-K220 PolarHBondContact OE1-NZ 3.26Å; E217-K220 WeakPolarHBondContact OE2-CE 3.25Å; E217-K220 IonicContact OE2-NZ 2.6Å; E217-K220 PolarHBondContact OE2-NZ 2.9Å; V218-K220 PolarHBondContact O-N 3.42Å
221	F	82.7	Confident	94.9	Very high	44 Å²	44	27.3 Å²	27.3	19%	0.193	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-37.1	-175.7	-55.6	-73.2	0	0	0	113	Y144 T145 P147 F195 E217 V218 Y373 I375	Y144-F221 AromaticContact CD1-CE1 3.85Å; Y144-F221 HydrophobicContact CD1-CE1 3.85Å; Y144-F221 AromaticContact CD1-CZ 3.66Å; Y144-F221 HydrophobicContact CD1-CZ 3.66Å; Y144-F221 HydrophobicContact CE1-CZ 4.23Å; T145-F221 WeakPolarHBondContact O-CE1 3.11Å; P147-F221 VanDerWaalsContact CD-CD1 3.5Å; P147-F221 HydrophobicContact CG-CB 3.75Å; P147-F221 HydrophobicContact CG-CD1 4.18Å; P147-F221 HydrophobicContact CG-CD2 3.92Å; P147-F221 HydrophobicContact CG-CG 3.7Å; F195-F221 HydrophobicContact CE1-CD2 4.46Å; E217-F221 WeakPolarHBondContact O-CE2 3.37Å; V218-F221 PolarHBondContact O-N 2.85Å; F221-Y373 HydrophobicContact CE2-CE1 4.04Å; F221-Y373 AromaticContact CZ-CE1 3.75Å; F221-Y373 HydrophobicContact CZ-CE1 3.75Å; F221-Y373 AromaticContact CZ-CZ 3.98Å; F221-I375 HydrophobicContact CE2-CD1 4.39Å
222	K	81.5	Confident	94.8	Very high	71 Å²	71	28 Å²	28	31%	0.309	14%	0.137	S	C	.	.			trans	-159.8	146.7	-174.3	168.7	171.7	165.7	53.8	0	110.2	I149 S160 Y224	I149-K222 HydrophobicContact CD1-CD 3.28Å; I149-K222 HydrophobicContact CG1-CD 4.4Å; S160-K222 VanDerWaalsContact OG-CE 3.23Å; S160-K222 WeakPolarHBondContact OG-CE 3.34Å; S160-K222 PolarHBondContact OG-NZ 2.99Å; K222-Y224 HydrophobicContact CB-CD2 4.22Å; K222-Y224 HydrophobicContact CB-CE2 3.85Å; K222-Y224 HydrophobicContact CD-CD1 4.42Å; K222-Y224 HydrophobicContact CD-CE1 4.14Å; K222-Y224 HydrophobicContact CG-CD2 4.3Å; K222-Y224 HydrophobicContact CG-CE2 4.25Å; K222-Y224 WeakPolarHBondContact O-CD2 3.4Å; K222-Y224 PolarHBondContact O-N 3.41Å; K222-Y224 VanDerWaalsContact O-N 3.1Å
223	E	88.4	Confident	94.7	Very high	144 Å²	144	28.7 Å²	28.7	67%	0.673	14%	0.141	S	C	*	.			trans	-74.2	93.3	162.4	-158.5	171.5	-177.9	0	0	110	R277	E223-R277 VanDerWaalsContact CG-CZ 3.42Å; E223-R277 IonicContact OE1-NH1 3.31Å
224	Y	92.8	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.			trans	-78.1	140	168.2	-68.3	-86	0	0	0	110.5	A162 T193 F195 K222 R277	A162-Y224 HydrophobicContact CB-CD1 3.9Å; A162-Y224 HydrophobicContact CB-CD2 3.89Å; A162-Y224 HydrophobicContact CB-CE1 4.3Å; A162-Y224 HydrophobicContact CB-CE2 4.3Å; A162-Y224 HydrophobicContact CB-CG 3.68Å; T193-Y224 WeakPolarHBondContact CB-OH 3.43Å; T193-Y224 PolarHBondContact OG1-OH 3.32Å; F195-Y224 HydrophobicContact CE2-CE1 4.45Å; F195-Y224 AromaticContact CE2-CE2 3.87Å; F195-Y224 HydrophobicContact CE2-CE2 3.87Å; F195-Y224 AromaticContact CE2-CZ 3.73Å; F195-Y224 AromaticContact CZ-CE2 3.87Å; F195-Y224 HydrophobicContact CZ-CE2 3.87Å; F195-Y224 AromaticContact CZ-CZ 3.81Å; F195-Y224 WeakPolarHBondContact CZ-OH 3.4Å; K222-Y224 HydrophobicContact CB-CD2 4.22Å; K222-Y224 HydrophobicContact CB-CE2 3.85Å; K222-Y224 HydrophobicContact CD-CD1 4.42Å; K222-Y224 HydrophobicContact CD-CE1 4.14Å; K222-Y224 HydrophobicContact CG-CD2 4.3Å; K222-Y224 HydrophobicContact CG-CE2 4.25Å; K222-Y224 WeakPolarHBondContact O-CD2 3.4Å; K222-Y224 PolarHBondContact O-N 3.41Å; K222-Y224 VanDerWaalsContact O-N 3.1Å; Y224-R277 PolarHBondContact O-NH1 3.46Å; Y224-R277 PolarHBondContact O-NH2 2.86Å
225	D	91.7	Very high	94.4	Very high	61 Å²	61	29.9 Å²	29.9	33%	0.326	15%	0.146	S	C	.	.	S	Bend	trans	-76.1	-33.7	179.1	-51.9	-83.5	0	0	0	111.2	L159 S160	L159-D225 WeakPolarHBondContact CA-OD2 3.4Å; L159-D225 HydrophobicContact CB-CB 4.48Å; L159-D225 HydrophobicContact CD2-CB 3.77Å; S160-D225 PolarHBondContact N-OD2 3.09Å; S160-D225 PolarHBondContact O-N 3.45Å; S160-D225 PolarHBondContact OG-OD2 2.63Å
226	C	97.7	Very high	94.3	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.034	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.4	-173.4	-85.4	0	0	0	0	113.9	S160 S161 A162 C245	S160-C226 PolarHBondContact O-N 3.07Å; S161-C226 CarbonylContact C-O 3.57Å; S161-C226 WeakPolarHBondContact CA-O 3.34Å; S161-C226 WeakPolarHBondContact OG-CB 3.32Å; A162-C226 PolarHBondContact N-O 3.29Å; C226-C245 WeakPolarHBondContact CA-SG 3.39Å; C226-C245 HydrophobicContact CB-CB 4.39Å; C226-C245 WeakPolarHBondContact CB-SG 3.49Å; C226-C245 VanDerWaalsContact SG-CA 3.56Å; C226-C245 WeakPolarHBondContact SG-CB 3.32Å; C226-C245 PolarHBondContact SG-N 2.71Å; C226-C245 CovalentContact SG-SG 2.04Å; C226-C245 PolarHBondContact SG-SG 3.36Å
227	F	98.6	Very high	94.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.1	175.6	-64.3	-93.6	0	0	0	108.7	A162 I164 F215 V218 L229 T274 F275 R277	A162-F227 HydrophobicContact CB-CD1 4.08Å; A162-F227 HydrophobicContact CB-CE1 4.36Å; A162-F227 WeakPolarHBondContact O-CA 3.32Å; I164-F227 HydrophobicContact CD1-CD1 3.81Å; I164-F227 HydrophobicContact CD1-CE1 4.47Å; F215-F227 AromaticContact CD2-CD1 3.49Å; F215-F227 HydrophobicContact CD2-CD1 3.49Å; F215-F227 VanDerWaalsContact CD2-CD1 3.49Å; F215-F227 HydrophobicContact CD2-CD2 4.16Å; F215-F227 AromaticContact CD2-CE1 3.38Å; F215-F227 HydrophobicContact CD2-CE1 3.38Å; F215-F227 HydrophobicContact CD2-CE2 4.12Å; F215-F227 AromaticContact CD2-CG 3.86Å; F215-F227 HydrophobicContact CD2-CG 3.86Å; F215-F227 AromaticContact CD2-CZ 3.71Å; F215-F227 HydrophobicContact CD2-CZ 3.71Å; F215-F227 AromaticContact CE2-CD1 3.99Å; F215-F227 HydrophobicContact CE2-CD1 3.99Å; F215-F227 AromaticContact CE2-CD2 3.86Å; F215-F227 HydrophobicContact CE2-CD2 3.86Å; F215-F227 AromaticContact CE2-CE1 3.65Å; F215-F227 HydrophobicContact CE2-CE1 3.65Å; F215-F227 AromaticContact CE2-CE2 3.57Å; F215-F227 HydrophobicContact CE2-CE2 3.57Å; F215-F227 HydrophobicContact CE2-CG 4.05Å; F215-F227 AromaticContact CE2-CZ 3.42Å; F215-F227 HydrophobicContact CE2-CZ 3.42Å; F215-F227 VanDerWaalsContact CE2-CZ 3.42Å; F215-F227 HydrophobicContact CG-CE1 4.34Å; F215-F227 HydrophobicContact CZ-CZ 4.35Å; V218-F227 HydrophobicContact CG2-CD1 4.27Å; V218-F227 HydrophobicContact CG2-CE1 3.66Å; F227-L229 HydrophobicContact CB-CD2 4.34Å; F227-T274 WeakPolarHBondContact O-CA 3.43Å; F227-F275 PolarHBondContact N-O 2.73Å; F227-F275 PolarHBondContact O-N 3.34Å; F227-R277 HydrophobicContact CE2-CB 3.88Å; F227-R277 HydrophobicContact CE2-CG 4.48Å
228	I	98.8	Very high	93.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106.6	176.4	-41.8	-59.5	0	0	0	106.8	A162 I163 I164 Y243 L252 V272 T274	A162-I228 PolarHBondContact O-N 3.33Å; I163-I228 CarbonylContact C-O 3.58Å; I163-I228 WeakPolarHBondContact CA-O 3.47Å; I163-I228 HydrophobicContact CG1-CB 4.17Å; I163-I228 HydrophobicContact CG1-CG1 4.22Å; I164-I228 PolarHBondContact N-O 3.5Å; I228-Y243 HydrophobicContact CB-CD1 4.28Å; I228-Y243 HydrophobicContact CG1-CD1 4.08Å; I228-Y243 HydrophobicContact CG1-CG 4.4Å; I228-Y243 HydrophobicContact CG2-CD1 3.73Å; I228-Y243 HydrophobicContact CG2-CE1 3.92Å; I228-Y243 HydrophobicContact CG2-CG 4.33Å; I228-L252 HydrophobicContact CG2-CD1 4.4Å; I228-V272 HydrophobicContact CG2-CG1 3.77Å; I228-T274 HydrophobicContact CD1-CG2 3.52Å; I228-T274 HydrophobicContact CG2-CG2 4.43Å
229	L	98.8	Very high	93.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.7	-179.8	-46.3	-178.4	0	0	0	107	I164 L211 F227 V272 V273 F275 Y280 F286	I164-L229 HydrophobicContact CB-CD2 4.3Å; I164-L229 HydrophobicContact CD1-CD2 4.22Å; L211-L229 HydrophobicContact CD1-CB 4.32Å; L211-L229 HydrophobicContact CD2-CB 3.94Å; L211-L229 HydrophobicContact CD2-CD2 4.24Å; F227-L229 HydrophobicContact CB-CD2 4.34Å; L229-V272 VanDerWaalsContact O-CA 3.32Å; L229-V272 WeakPolarHBondContact O-CA 3.32Å; L229-V273 HydrophobicContact CB-CG2 3.93Å; L229-V273 HydrophobicContact CD1-CG2 4.17Å; L229-V273 HydrophobicContact CG-CG2 4.36Å; L229-V273 PolarHBondContact N-O 2.99Å; L229-V273 PolarHBondContact O-N 2.85Å; L229-F275 HydrophobicContact CD1-CD2 3.76Å; L229-F275 HydrophobicContact CD1-CE2 3.88Å; L229-F275 HydrophobicContact CG-CD2 4.35Å; L229-Y280 HydrophobicContact CD1-CD2 4.09Å; L229-Y280 HydrophobicContact CD1-CE2 3.36Å; L229-F286 HydrophobicContact CD1-CE2 3.72Å
230	H	98.8	Very high	93.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	119.3	-156.7	-169	-58.4	0	0	0	112.1	I163 I164 I165 P166 K234 Y243 V272	I163-H230 HydrophobicContact CG2-CB 4.02Å; I164-H230 PolarHBondContact O-N 3.15Å; I165-H230 WeakPolarHBondContact CA-O 3.46Å; I165-H230 HydrophobicContact CG1-CB 4Å; P166-H230 VanDerWaalsContact CD-O 3.3Å; P166-H230 WeakPolarHBondContact CD-O 3.17Å; H230-K234 PolarHBondContact CE1-O 2.93Å; H230-Y243 AromaticContact CD2-CE1 3.64Å; H230-Y243 AromaticContact CD2-CZ 3.85Å; H230-Y243 PolarHBondContact CD2-OH 2.79Å; H230-Y243 VanDerWaalsContact CD2-OH 3.3Å; H230-Y243 AromaticContact NE2-CZ 3.87Å; H230-Y243 PolarHBondContact NE2-OH 2.77Å; H230-V272 HydrophobicContact CB-CG1 4.31Å; H230-V272 VanDerWaalsContact CD2-CG1 3.49Å; H230-V272 WeakPolarHBondContact CD2-CG1 3.48Å
231	D	98.3	Very high	93.3	Very high	24 Å²	24	32.9 Å²	32.9	13%	0.128	15%	0.154	C	C	.	.			trans	-62.9	142.8	173.5	-76.9	6.8	0	0	0	112.3	R207 D233 K234 G271	R207-D231 IonicContact CZ-OD1 3.97Å; R207-D231 VanDerWaalsContact CZ-OD1 3.26Å; R207-D231 IonicContact NE-OD1 2.75Å; R207-D231 PolarHBondContact NE-OD1 3.02Å; R207-D231 IonicContact NH2-OD1 3.07Å; R207-D231 PolarHBondContact NH2-OD1 2.92Å; D231-D233 WeakPolarHBondContact CB-OD1 3.28Å; D231-D233 PolarHBondContact O-N 3.08Å; D231-D233 VanDerWaalsContact O-N 3.12Å; D231-K234 HydrophobicContact CB-CG 3.68Å; D231-K234 IonicContact OD2-NZ 2.88Å; D231-K234 PolarHBondContact OD2-NZ 3Å; D231-G271 WeakPolarHBondContact CB-O 3.18Å; D231-G271 VanDerWaalsContact CG-O 3.28Å; D231-G271 PolarHBondContact N-O 3.13Å; D231-G271 WeakPolarHBondContact OD2-CA 3.44Å
232	V	97.7	Very high	93.8	Very high	14 Å²	14	34.3 Å²	34.3	9%	0.085	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.2	-175.5	70.6	0	0	0	0	114.4	I165 Y167 R170 H173 L174 L177	I165-V232 HydrophobicContact CG2-CB 3.81Å; I165-V232 HydrophobicContact CG2-CG2 4.09Å; Y167-V232 HydrophobicContact CD2-CG2 4.14Å; R170-V232 HydrophobicContact CB-CG1 4Å; R170-V232 HydrophobicContact CB-CG2 4.48Å; R170-V232 HydrophobicContact CG-CG1 4.17Å; H173-V232 HydrophobicContact CB-CG1 4.45Å; H173-V232 HydrophobicContact CB-CG2 4.21Å; L174-V232 HydrophobicContact CB-CG2 3.99Å; L174-V232 HydrophobicContact CD1-CG2 4.2Å; L177-V232 HydrophobicContact CD2-CG2 4.3Å; L177-V232 WeakPolarHBondContact CD2-O 3.2Å
233	D	95.4	Very high	94.6	Very high	14 Å²	14	31 Å²	31	8%	0.075	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	10.5	-170.9	68.6	-31.1	0	0	0	113.7	D231 A323 L324 H326	D231-D233 WeakPolarHBondContact CB-OD1 3.28Å; D231-D233 PolarHBondContact O-N 3.08Å; D231-D233 VanDerWaalsContact O-N 3.12Å; D233-A323 CarbonylContact O-C 3.52Å; D233-A323 WeakPolarHBondContact O-CA 3.4Å; D233-L324 HydrophobicContact CB-CB 4.17Å; D233-L324 PolarHBondContact O-N 3.04Å; D233-H326 IonicContact OD2-CD2 3.35Å; D233-H326 IonicContact OD2-NE2 3.72Å
234	K	97.8	Very high	94.8	Very high	19 Å²	19	25.9 Å²	25.9	8%	0.083	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.4	-176.3	-55.2	-57.7	-170.8	-70.6	0	111.2	L177 H230 D231 L256 V272 Y321 A323	L177-K234 VanDerWaalsContact CD1-O 3.29Å; L177-K234 WeakPolarHBondContact CD1-O 3.38Å; H230-K234 PolarHBondContact CE1-O 2.93Å; D231-K234 HydrophobicContact CB-CG 3.68Å; D231-K234 IonicContact OD2-NZ 2.88Å; D231-K234 PolarHBondContact OD2-NZ 3Å; K234-L256 HydrophobicContact CD-CD2 3.68Å; K234-V272 HydrophobicContact CB-CG2 3.96Å; K234-V272 HydrophobicContact CG-CG2 4.42Å; K234-Y321 HydrophobicContact CB-CD1 3.82Å; K234-Y321 HydrophobicContact CB-CE1 4.47Å; K234-A323 HydrophobicContact CD-CB 3.92Å
235	L	94.3	Very high	95	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.7	178.6	-54.2	-177.4	0	0	0	110.1	I44 V176 L177 H180 Y321 Y322 L324	I44-L235 HydrophobicContact CD1-CD1 4.17Å; V176-L235 HydrophobicContact CG1-CD1 3.89Å; V176-L235 HydrophobicContact CG1-CD2 4.43Å; L177-L235 HydrophobicContact CB-CD2 4.25Å; L177-L235 HydrophobicContact CD1-CD2 3.63Å; H180-L235 HydrophobicContact CB-CD2 4.01Å; L235-Y321 VanDerWaalsContact C-CD1 3.44Å; L235-Y321 CarbonylContact O-C 3.47Å; L235-Y321 WeakPolarHBondContact O-CA 3.46Å; L235-Y322 HydrophobicContact CD1-CD1 4.42Å; L235-Y322 PolarHBondContact N-O 2.97Å; L235-Y322 PolarHBondContact O-N 3.02Å; L235-L324 HydrophobicContact CD1-CD1 4.39Å; L235-L324 HydrophobicContact CD1-CD2 3.88Å; L235-L324 HydrophobicContact CD1-CG 4.13Å; L235-L324 HydrophobicContact CD2-CD1 4.35Å; L235-L324 HydrophobicContact CG-CD1 4.37Å; L235-L324 HydrophobicContact CG-CD2 4.48Å; L235-L324 HydrophobicContact CG-CG 4.2Å
236	P	95.5	Very high	95.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.7	175.4	26.4	-33.9	0	0	0	110.7	H180 L181 F184 I241 Y243 Y321	H180-P236 PolarHBondContact CE1-O 3.49Å; H180-P236 PolarHBondContact NE2-O 2.83Å; L181-P236 HydrophobicContact CD2-CG 4.06Å; F184-P236 HydrophobicContact CD1-CB 4.49Å; F184-P236 HydrophobicContact CD1-CG 3.67Å; F184-P236 HydrophobicContact CD2-CB 4.32Å; F184-P236 HydrophobicContact CD2-CG 3.92Å; F184-P236 HydrophobicContact CE1-CB 4Å; F184-P236 HydrophobicContact CE1-CG 3.61Å; F184-P236 HydrophobicContact CE2-CB 3.79Å; F184-P236 HydrophobicContact CE2-CG 3.85Å; F184-P236 HydrophobicContact CG-CG 3.83Å; F184-P236 HydrophobicContact CZ-CB 3.63Å; F184-P236 HydrophobicContact CZ-CG 3.71Å; P236-I241 HydrophobicContact CB-CD1 3.83Å; P236-Y243 HydrophobicContact CB-CE2 4.47Å; P236-Y243 HydrophobicContact CG-CE2 4.4Å; P236-Y321 HydrophobicContact CB-CD1 4.2Å; P236-Y321 HydrophobicContact CB-CE1 3.69Å; P236-Y321 HydrophobicContact CB-CE2 4.33Å; P236-Y321 HydrophobicContact CG-CE1 4.19Å
237	E	93.4	Very high	95.1	Very high	77 Å²	77	30.9 Å²	30.9	36%	0.36	17%	0.168	S	C	.	.			trans	-97.4	-12	-178.1	-66.5	179.9	-169.2	0	0	113.9	Y261 R320 Y322	E237-Y261 VanDerWaalsContact CD-OH 3.3Å; E237-Y261 WeakPolarHBondContact OE1-CE1 3.16Å; E237-Y261 VanDerWaalsContact OE1-CZ 3.25Å; E237-Y261 PolarHBondContact OE1-OH 3.09Å; E237-Y261 WeakPolarHBondContact OE2-CE1 3.48Å; E237-Y261 PolarHBondContact OE2-OH 3.1Å; E237-R320 HydrophobicContact CB-CB 4.16Å; E237-R320 PolarHBondContact N-O 3.05Å; E237-R320 IonicContact OE2-CZ 2.65Å; E237-R320 IonicContact OE2-NE 3.21Å; E237-R320 PolarHBondContact OE2-NE 3.3Å; E237-R320 IonicContact OE2-NH2 3.86Å; E237-R320 PolarHBondContact OE2-NH2 3.24Å; E237-Y322 WeakPolarHBondContact OE1-CA 3.36Å; E237-Y322 WeakPolarHBondContact OE1-CB 3.33Å; E237-Y322 PolarHBondContact OE1-N 3.47Å; E237-Y322 VanDerWaalsContact OE1-N 3.16Å
238	D	88.6	Confident	95	Very high	33 Å²	33	32.9 Å²	32.9	18%	0.176	18%	0.179	C	C	.	.			trans	-134.4	123.1	-170.6	-164.8	-52.8	0	0	0	111.8	F184 R240 I241 I318	F184-D238 WeakPolarHBondContact CE2-O 3.42Å; D238-R240 PolarHBondContact O-N 3.11Å; D238-R240 WeakPolarHBondContact OD1-CB 3.5Å; D238-R240 VanDerWaalsContact OD1-CG 3.26Å; D238-R240 WeakPolarHBondContact OD1-CG 3.49Å; D238-R240 IonicContact OD1-CZ 2.85Å; D238-R240 PolarHBondContact OD1-N 3.45Å; D238-R240 IonicContact OD1-NE 3.79Å; D238-R240 PolarHBondContact OD1-NE 2.97Å; D238-R240 IonicContact OD1-NH2 3.75Å; D238-R240 IonicContact OD2-CZ 3.75Å; D238-R240 IonicContact OD2-NE 3.33Å; D238-R240 PolarHBondContact OD2-NE 3.01Å; D238-R240 IonicContact OD2-NH2 3.82Å; D238-R240 PolarHBondContact OD2-NH2 2.68Å; D238-I241 HydrophobicContact CB-CD1 4.08Å; D238-I241 HydrophobicContact CB-CG1 4.18Å; D238-I241 WeakPolarHBondContact O-CB 3.43Å; D238-I241 WeakPolarHBondContact O-CD1 3.45Å; D238-I241 VanDerWaalsContact O-CG1 3.28Å; D238-I241 WeakPolarHBondContact O-CG1 3.38Å; D238-I241 PolarHBondContact O-N 3.42Å; D238-I318 HydrophobicContact CB-CG2 4.49Å
239	D	88.5	Confident	95	Very high	54 Å²	54	32.9 Å²	32.9	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13	-179.1	-79.9	-8.2	0	0	0	113.5	F184 H187 I241	F184-D239 VanDerWaalsContact CD2-OD1 3.22Å; F184-D239 WeakPolarHBondContact CD2-OD1 3.18Å; F184-D239 WeakPolarHBondContact CE2-OD1 3.36Å; H187-D239 IonicContact CE1-OD2 3.96Å; H187-D239 IonicContact CG-OD2 3.02Å; H187-D239 IonicContact ND1-OD1 2.72Å; H187-D239 IonicContact ND1-OD2 3.26Å; H187-D239 PolarHBondContact ND1-OD2 2.88Å; D239-I241 VanDerWaalsContact C-N 3.26Å
240	R	88.8	Confident	95	Very high	123 Å²	123	33.7 Å²	33.7	46%	0.464	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.7	172.4	-56.9	171.7	-68.5	175.4	0.1	112.9	F53 D238 I242 I318	F53-R240 HydrophobicContact CZ-CG 4.32Å; D238-R240 PolarHBondContact O-N 3.11Å; D238-R240 WeakPolarHBondContact OD1-CB 3.5Å; D238-R240 VanDerWaalsContact OD1-CG 3.26Å; D238-R240 WeakPolarHBondContact OD1-CG 3.49Å; D238-R240 IonicContact OD1-CZ 2.85Å; D238-R240 PolarHBondContact OD1-N 3.45Å; D238-R240 IonicContact OD1-NE 3.79Å; D238-R240 PolarHBondContact OD1-NE 2.97Å; D238-R240 IonicContact OD1-NH2 3.75Å; D238-R240 IonicContact OD2-CZ 3.75Å; D238-R240 IonicContact OD2-NE 3.33Å; D238-R240 PolarHBondContact OD2-NE 3.01Å; D238-R240 IonicContact OD2-NH2 3.82Å; D238-R240 PolarHBondContact OD2-NH2 2.68Å; R240-I242 PolarHBondContact O-N 2.91Å; R240-I318 HydrophobicContact CB-CG2 3.78Å
241	I	91.7	Very high	95	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-76.2	87.9	170	-54.7	160.6	0	0	0	108.4	F184 Q188 P236 D238 D239 Y243 L252 I314 I318 R320 Y321	F184-I241 HydrophobicContact CZ-CB 4.11Å; F184-I241 VanDerWaalsContact CZ-O 3.29Å; F184-I241 WeakPolarHBondContact CZ-O 3.31Å; Q188-I241 PolarHBondContact NE2-O 3.24Å; P236-I241 HydrophobicContact CB-CD1 3.83Å; D238-I241 HydrophobicContact CB-CD1 4.08Å; D238-I241 HydrophobicContact CB-CG1 4.18Å; D238-I241 WeakPolarHBondContact O-CB 3.43Å; D238-I241 WeakPolarHBondContact O-CD1 3.45Å; D238-I241 VanDerWaalsContact O-CG1 3.28Å; D238-I241 WeakPolarHBondContact O-CG1 3.38Å; D238-I241 PolarHBondContact O-N 3.42Å; D239-I241 VanDerWaalsContact C-N 3.26Å; I241-Y243 HydrophobicContact CG2-CD2 4.34Å; I241-Y243 HydrophobicContact CG2-CE2 4.01Å; I241-Y243 WeakPolarHBondContact O-CD2 3.42Å; I241-Y243 PolarHBondContact O-N 2.85Å; I241-L252 HydrophobicContact CG2-CB 4.07Å; I241-L252 HydrophobicContact CG2-CD1 4.2Å; I241-L252 HydrophobicContact CG2-CD2 4.27Å; I241-L252 HydrophobicContact CG2-CG 4.41Å; I241-I314 HydrophobicContact CB-CD1 4.37Å; I241-I314 HydrophobicContact CG1-CD1 4.19Å; I241-I314 HydrophobicContact CG2-CD1 4.31Å; I241-I318 VanDerWaalsContact CD1-O 3.29Å; I241-I318 WeakPolarHBondContact CD1-O 3.31Å; I241-I318 HydrophobicContact CG1-CG2 3.98Å; I241-I318 VanDerWaalsContact CG1-O 3.24Å; I241-I318 WeakPolarHBondContact CG1-O 3.44Å; I241-R320 WeakPolarHBondContact CD1-O 3.49Å; I241-Y321 HydrophobicContact CD1-CD2 4.17Å; I241-Y321 HydrophobicContact CD1-CE2 3.76Å; I241-Y321 HydrophobicContact CG2-CE2 4.01Å; I241-Y321 WeakPolarHBondContact CG2-OH 3.14Å
242	I	93.4	Very high	95	Very high	74 Å²	74	32.8 Å²	32.8	38%	0.379	18%	0.179	S	C	.	.			trans	-77.7	125.2	-176.2	-51.9	-53.3	0	0	0	110.8	I190 R240 T244	I190-I242 HydrophobicContact CD1-CG2 3.94Å; R240-I242 PolarHBondContact O-N 2.91Å; I242-T244 HydrophobicContact CG2-CG2 3.77Å; I242-T244 WeakPolarHBondContact CG2-OG1 3.38Å; I242-T244 PolarHBondContact O-N 3.03Å
243	Y	96.5	Very high	94.9	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.008	18%	0.175	C	C	.	.			trans	-83.6	61.7	-179.9	-84.5	-140.8	0	0	0	110.5	S161 I163 L181 F184 L185 I228 H230 P236 I241 L252 Y321	S161-Y243 WeakPolarHBondContact CB-O 3.47Å; S161-Y243 PolarHBondContact OG-O 2.83Å; I163-Y243 HydrophobicContact CG1-CD1 4.02Å; I163-Y243 HydrophobicContact CG1-CE1 4.5Å; L181-Y243 HydrophobicContact CD2-CE1 3.94Å; F184-Y243 HydrophobicContact CD1-CE2 4.4Å; F184-Y243 AromaticContact CE1-CD2 3.71Å; F184-Y243 HydrophobicContact CE1-CD2 3.71Å; F184-Y243 AromaticContact CE1-CE2 3.46Å; F184-Y243 HydrophobicContact CE1-CE2 3.46Å; F184-Y243 VanDerWaalsContact CE1-CE2 3.46Å; F184-Y243 HydrophobicContact CE1-CG 4.47Å; F184-Y243 HydrophobicContact CZ-CD2 4.43Å; F184-Y243 HydrophobicContact CZ-CE2 4.12Å; L185-Y243 HydrophobicContact CD2-CD1 3.52Å; L185-Y243 HydrophobicContact CD2-CD2 4.29Å; L185-Y243 HydrophobicContact CD2-CE1 4.19Å; L185-Y243 HydrophobicContact CD2-CG 3.58Å; I228-Y243 HydrophobicContact CB-CD1 4.28Å; I228-Y243 HydrophobicContact CG1-CD1 4.08Å; I228-Y243 HydrophobicContact CG1-CG 4.4Å; I228-Y243 HydrophobicContact CG2-CD1 3.73Å; I228-Y243 HydrophobicContact CG2-CE1 3.92Å; I228-Y243 HydrophobicContact CG2-CG 4.33Å; H230-Y243 AromaticContact CD2-CE1 3.64Å; H230-Y243 AromaticContact CD2-CZ 3.85Å; H230-Y243 PolarHBondContact CD2-OH 2.79Å; H230-Y243 VanDerWaalsContact CD2-OH 3.3Å; H230-Y243 AromaticContact NE2-CZ 3.87Å; H230-Y243 PolarHBondContact NE2-OH 2.77Å; P236-Y243 HydrophobicContact CB-CE2 4.47Å; P236-Y243 HydrophobicContact CG-CE2 4.4Å; I241-Y243 HydrophobicContact CG2-CD2 4.34Å; I241-Y243 HydrophobicContact CG2-CE2 4.01Å; I241-Y243 WeakPolarHBondContact O-CD2 3.42Å; I241-Y243 PolarHBondContact O-N 2.85Å; Y243-L252 HydrophobicContact CD2-CD1 3.95Å; Y243-L252 HydrophobicContact CE2-CD1 4.06Å; Y243-Y321 WeakPolarHBondContact CE2-OH 3.5Å; Y243-Y321 WeakPolarHBondContact OH-CE1 3.34Å; Y243-Y321 PolarHBondContact OH-OH 3Å
244	T	94.4	Very high	94.8	Very high	37 Å²	37	31.5 Å²	31.5	23%	0.227	17%	0.171	C	C	.	.	S	Bend	trans	-132.1	-174.2	174.2	60	0	0	0	0	110	I190 I242 T274	I190-T244 HydrophobicContact CD1-CG2 3.36Å; I190-T244 HydrophobicContact CG1-CG2 4.3Å; I242-T244 HydrophobicContact CG2-CG2 3.77Å; I242-T244 WeakPolarHBondContact CG2-OG1 3.38Å; I242-T244 PolarHBondContact O-N 3.03Å; T244-T274 WeakPolarHBondContact O-CG2 3.32Å
245	C	96	Very high	94.7	Very high	29 Å²	29	30.7 Å²	30.7	20%	0.196	17%	0.168	C	C	.	.			trans	-119.7	146	-175.4	-43	0	0	0	0	110.3	C226 F275 T276	C226-C245 WeakPolarHBondContact CA-SG 3.39Å; C226-C245 HydrophobicContact CB-CB 4.39Å; C226-C245 WeakPolarHBondContact CB-SG 3.49Å; C226-C245 VanDerWaalsContact SG-CA 3.56Å; C226-C245 WeakPolarHBondContact SG-CB 3.32Å; C226-C245 PolarHBondContact SG-N 2.71Å; C226-C245 CovalentContact SG-SG 2.04Å; C226-C245 PolarHBondContact SG-SG 3.36Å; C245-F275 PolarHBondContact SG-O 2.99Å; C245-T276 HydrophobicContact CB-CG2 3.61Å
246	G	93.8	Very high	94.8	Very high	26 Å²	26	30.7 Å²	30.7	27%	0.268	17%	0.168	S	C	.	.			trans	-100.5	-174.8	169.7	0	0	0	0	0	112.9	N248 Q279	G246-N248 PolarHBondContact O-N 2.72Å; G246-Q279 PolarHBondContact O-NE2 3.01Å
247	P	96.9	Very high	94.7	Very high	116 Å²	116	31.7 Å²	31.7	75%	0.753	18%	0.175	S	C	*	.	S	Bend	trans	-63.8	-18.9	174.7	27.3	-35.3	0	0	0	113.3	Q279	P247-Q279 PolarHBondContact O-NE2 3.02Å
248	N	98.6	Very high	94.7	Very high	42 Å²	42	32.6 Å²	32.6	23%	0.225	19%	0.186	C	C	.	.	S	Bend	trans	-122.9	149.6	175.4	-73.8	-64.4	0	0	0	110.7	G246 T250 N310	G246-N248 PolarHBondContact O-N 2.72Å; N248-T250 PolarHBondContact O-N 2.97Å; N248-T250 PolarHBondContact O-OG1 2.75Å; N248-N310 WeakPolarHBondContact CB-O 3.05Å; N248-N310 PolarHBondContact OD1-N 2.86Å
249	P	98.5	Very high	94.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.			trans	-53.1	128.8	168.6	-28.2	39.2	0	0	0	111.1	F269 T274 F275 Q279 V304 Y309 S312	P249-F269 HydrophobicContact CB-CZ 3.88Å; P249-T274 WeakPolarHBondContact CA-O 3.48Å; P249-F275 HydrophobicContact CB-CD1 3.77Å; P249-F275 HydrophobicContact CB-CE1 3.47Å; P249-F275 VanDerWaalsContact CB-CE1 3.47Å; P249-F275 HydrophobicContact CB-CG 4.43Å; P249-F275 HydrophobicContact CB-CZ 3.9Å; P249-F275 HydrophobicContact CG-CD1 3.65Å; P249-F275 HydrophobicContact CG-CE1 3.5Å; P249-F275 HydrophobicContact CG-CZ 4.4Å; P249-Q279 HydrophobicContact CG-CB 4.31Å; P249-Q279 HydrophobicContact CG-CG 4.36Å; P249-V304 HydrophobicContact CB-CG1 4.14Å; P249-V304 HydrophobicContact CB-CG2 4.11Å; P249-V304 HydrophobicContact CG-CG1 3.91Å; P249-V304 HydrophobicContact CG-CG2 4.09Å; P249-Y309 HydrophobicContact CG-CD2 4.39Å; P249-Y309 HydrophobicContact CG-CG 4.34Å; P249-S312 WeakPolarHBondContact O-CB 3.44Å; P249-S312 PolarHBondContact O-N 3.02Å; P249-S312 VanDerWaalsContact O-N 3.1Å
250	T	98.3	Very high	95.2	Very high	16 Å²	16	39.2 Å²	39.2	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.3	-168.4	-60.3	0	0	0	0	111.2	N248 L252 V273 T274 S312	N248-T250 PolarHBondContact O-N 2.97Å; N248-T250 PolarHBondContact O-OG1 2.75Å; T250-L252 HydrophobicContact CG2-CD2 4.15Å; T250-V273 CarbonylContact O-C 3.55Å; T250-V273 VanDerWaalsContact O-CA 3.27Å; T250-V273 WeakPolarHBondContact O-CA 3.35Å; T250-T274 WeakPolarHBondContact CB-OG1 3.23Å; T250-T274 PolarHBondContact N-O 2.82Å; T250-T274 VanDerWaalsContact N-O 3.17Å; T250-T274 PolarHBondContact O-N 2.82Å; T250-S312 CarbonylContact C-O 3.58Å; T250-S312 VanDerWaalsContact CA-O 3.28Å; T250-S312 WeakPolarHBondContact CA-O 3.47Å; T250-S312 VanDerWaalsContact OG1-CB 3.25Å; T250-S312 WeakPolarHBondContact OG1-CB 3.2Å; T250-S312 PolarHBondContact OG1-OG 3.36Å
251	H	98.3	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.3	171.2	178.7	-136	0	0	0	110.5	S253 A254 F268 F269 G270 V272 V273 S312 R313 I314	H251-S253 PolarHBondContact CD2-OG 3.13Å; H251-S253 PolarHBondContact CE1-O 2.99Å; H251-S253 VanDerWaalsContact NE2-C 3.29Å; H251-S253 PolarHBondContact NE2-O 3.19Å; H251-S253 VanDerWaalsContact NE2-O 3.1Å; H251-S253 PolarHBondContact NE2-OG 3.49Å; H251-A254 VanDerWaalsContact CE1-CA 3.45Å; H251-A254 WeakPolarHBondContact CE1-CA 3.48Å; H251-A254 PolarHBondContact CE1-N 2.8Å; H251-F268 AromaticContact CE1-CD1 3.52Å; H251-F268 AromaticContact CE1-CE1 3.57Å; H251-F268 AromaticContact NE2-CE1 3.64Å; H251-F269 HydrophobicContact CB-CD2 3.64Å; H251-F269 HydrophobicContact CB-CE2 3.79Å; H251-G270 PolarHBondContact CD2-O 3.46Å; H251-G270 PolarHBondContact NE2-O 3.49Å; H251-V272 PolarHBondContact CD2-O 2.84Å; H251-V273 HydrophobicContact CB-CG1 4.29Å; H251-S312 PolarHBondContact N-O 3.32Å; H251-R313 PolarHBondContact CE1-NH1 3.2Å; H251-R313 VanDerWaalsContact CE1-NH1 3.34Å; H251-R313 PolarHBondContact ND1-NH1 2.98Å; H251-I314 PolarHBondContact O-N 3.37Å; H251-I314 VanDerWaalsContact O-N 3.15Å
252	L	98.3	Very high	95.6	Very high	5 Å²	5	43 Å²	43	3%	0.026	24%	0.236	C	C	.	.	S	Bend	trans	-86.7	-39	-179.4	-60.1	-175.9	0	0	0	111.8	I228 I241 Y243 T250 A254 V272 T274 I314 G319 Y321	I228-L252 HydrophobicContact CG2-CD1 4.4Å; I241-L252 HydrophobicContact CG2-CB 4.07Å; I241-L252 HydrophobicContact CG2-CD1 4.2Å; I241-L252 HydrophobicContact CG2-CD2 4.27Å; I241-L252 HydrophobicContact CG2-CG 4.41Å; Y243-L252 HydrophobicContact CD2-CD1 3.95Å; Y243-L252 HydrophobicContact CE2-CD1 4.06Å; T250-L252 HydrophobicContact CG2-CD2 4.15Å; L252-A254 PolarHBondContact O-N 2.68Å; L252-V272 HydrophobicContact CB-CB 4.3Å; L252-V272 HydrophobicContact CB-CG1 4.17Å; L252-V272 HydrophobicContact CD1-CG1 4.02Å; L252-V272 HydrophobicContact CG-CG1 4.49Å; L252-V272 PolarHBondContact N-O 3Å; L252-T274 HydrophobicContact CD1-CG2 3.49Å; L252-T274 VanDerWaalsContact CD1-CG2 3.49Å; L252-T274 HydrophobicContact CD2-CG2 4.1Å; L252-T274 HydrophobicContact CG-CG2 3.68Å; L252-I314 WeakPolarHBondContact O-CG2 3.42Å; L252-G319 WeakPolarHBondContact O-CA 3.38Å; L252-Y321 HydrophobicContact CB-CE2 4.06Å; L252-Y321 WeakPolarHBondContact O-CE2 3.3Å
253	S	97	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.228	C	C	.	.			trans	-84.2	48.3	-177.7	56.8	0	0	0	0	113.9	H251 S255 G270 G271 V272 Y321	H251-S253 PolarHBondContact CD2-OG 3.13Å; H251-S253 PolarHBondContact CE1-O 2.99Å; H251-S253 VanDerWaalsContact NE2-C 3.29Å; H251-S253 PolarHBondContact NE2-O 3.19Å; H251-S253 VanDerWaalsContact NE2-O 3.1Å; H251-S253 PolarHBondContact NE2-OG 3.49Å; S253-S255 PolarHBondContact O-N 2.91Å; S253-G270 PolarHBondContact OG-O 3.5Å; S253-G271 WeakPolarHBondContact OG-CA 3.37Å; S253-V272 PolarHBondContact N-O 2.85Å; S253-V272 PolarHBondContact OG-N 2.97Å; S253-Y321 VanDerWaalsContact CA-CD2 3.47Å
254	A	93	Very high	95.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	24%	0.244	C	C	.	.			trans	-58.7	-33.4	-177.2	0	0	0	0	0	113.5	H251 L252 R313 I314 E316 G319	H251-A254 VanDerWaalsContact CE1-CA 3.45Å; H251-A254 WeakPolarHBondContact CE1-CA 3.48Å; H251-A254 PolarHBondContact CE1-N 2.8Å; L252-A254 PolarHBondContact O-N 2.68Å; A254-R313 HydrophobicContact CB-CG 3.7Å; A254-I314 HydrophobicContact CB-CG2 4.18Å; A254-E316 HydrophobicContact CB-CG 4.25Å; A254-G319 PolarHBondContact N-O 2.75Å
255	S	95.2	Very high	95.5	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	104.3	-174.3	-67.6	0	0	0	0	110.8	S253 Y261 E316 G319 R320 Y321	S253-S255 PolarHBondContact O-N 2.91Å; S255-Y261 WeakPolarHBondContact O-CD1 3.2Å; S255-Y261 PolarHBondContact OG-O 3Å; S255-E316 WeakPolarHBondContact OG-CA 3.3Å; S255-E316 WeakPolarHBondContact OG-CB 3.23Å; S255-E316 PolarHBondContact OG-O 2.71Å; S255-G319 PolarHBondContact N-O 2.72Å; S255-R320 CarbonylContact O-C 3.59Å; S255-R320 WeakPolarHBondContact O-CA 3.34Å; S255-Y321 PolarHBondContact O-N 2.76Å
256	L	95.7	Very high	95.4	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.2	-176.4	-71.3	173.9	0	0	0	111.5	K234 T258 F259 Y261 I264 F268 Y321	K234-L256 HydrophobicContact CD-CD2 3.68Å; L256-T258 VanDerWaalsContact C-N 3.28Å; L256-T258 PolarHBondContact O-N 2.7Å; L256-F259 HydrophobicContact CB-CD2 3.89Å; L256-F259 HydrophobicContact CD1-CD2 4.2Å; L256-F259 HydrophobicContact CD1-CE2 4.17Å; L256-F259 PolarHBondContact O-N 3.22Å; L256-Y261 WeakPolarHBondContact O-CA 3.24Å; L256-Y261 PolarHBondContact O-N 2.75Å; L256-I264 HydrophobicContact CD1-CD1 4.48Å; L256-F268 HydrophobicContact CD1-CE1 3.93Å; L256-F268 HydrophobicContact CD1-CZ 3.97Å; L256-Y321 WeakPolarHBondContact CA-O 3.46Å
257	S	94	Very high	95.5	Very high	21 Å²	21	57.3 Å²	57.3	15%	0.147	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.2	-38.1	179.5	65.1	0	0	0	0	113.5	F259 N260 Y261 Y321 A323	S257-F259 PolarHBondContact O-N 2.82Å; S257-N260 PolarHBondContact O-N 2.98Å; S257-Y261 VanDerWaalsContact CB-CZ 3.48Å; S257-Y261 WeakPolarHBondContact CB-OH 3.26Å; S257-Y321 PolarHBondContact N-O 3.47Å; S257-A323 PolarHBondContact OG-N 2.84Å
258	T	93	Very high	95.5	Very high	96 Å²	96	52.7 Å²	52.7	59%	0.589	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-57.4	-23.7	177	-48.9	0	0	0	0	113.5	L256 A323	L256-T258 VanDerWaalsContact C-N 3.28Å; L256-T258 PolarHBondContact O-N 2.7Å; T258-A323 VanDerWaalsContact OG1-CB 3.29Å; T258-A323 WeakPolarHBondContact OG1-CB 3.38Å
259	F	93.5	Very high	95.4	Very high	89 Å²	89	50.7 Å²	50.7	39%	0.39	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-113	29.3	-179	-56.1	-77.1	0	0	0	111.9	L256 S257 Y261 K262 I264	L256-F259 HydrophobicContact CB-CD2 3.89Å; L256-F259 HydrophobicContact CD1-CD2 4.2Å; L256-F259 HydrophobicContact CD1-CE2 4.17Å; L256-F259 PolarHBondContact O-N 3.22Å; S257-F259 PolarHBondContact O-N 2.82Å; F259-Y261 PolarHBondContact O-N 3.1Å; F259-Y261 VanDerWaalsContact O-N 3.17Å; F259-K262 WeakPolarHBondContact O-CB 3.45Å; F259-K262 PolarHBondContact O-N 3.08Å; F259-I264 HydrophobicContact CB-CG1 4.25Å; F259-I264 HydrophobicContact CD1-CD1 4.33Å; F259-I264 HydrophobicContact CD1-CG1 4Å; F259-I264 HydrophobicContact CD1-CG2 4.29Å; F259-I264 HydrophobicContact CD2-CD1 3.46Å; F259-I264 VanDerWaalsContact CD2-CD1 3.46Å; F259-I264 HydrophobicContact CD2-CG1 3.51Å; F259-I264 HydrophobicContact CE1-CD1 4.07Å; F259-I264 HydrophobicContact CE1-CG1 4.21Å; F259-I264 HydrophobicContact CE1-CG2 4.18Å; F259-I264 HydrophobicContact CE2-CD1 3.16Å; F259-I264 HydrophobicContact CE2-CG1 3.76Å; F259-I264 HydrophobicContact CG-CD1 4.05Å; F259-I264 HydrophobicContact CG-CG1 3.64Å; F259-I264 HydrophobicContact CZ-CD1 3.5Å; F259-I264 VanDerWaalsContact CZ-CD1 3.5Å; F259-I264 HydrophobicContact CZ-CG1 4.09Å
260	N	94.9	Very high	95.3	Very high	138 Å²	138	50.7 Å²	50.7	74%	0.738	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	35.1	-176.1	-64.9	-37.7	0	0	0	112.7	S257 K262	S257-N260 PolarHBondContact O-N 2.98Å; N260-K262 PolarHBondContact O-N 2.97Å
261	Y	94.7	Very high	95.3	Very high	55 Å²	55	50 Å²	50	22%	0.216	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	30.7	-177.3	-57.1	-85.5	0	0	0	114	E237 S255 L256 S257 F259 R320	E237-Y261 VanDerWaalsContact CD-OH 3.3Å; E237-Y261 WeakPolarHBondContact OE1-CE1 3.16Å; E237-Y261 VanDerWaalsContact OE1-CZ 3.25Å; E237-Y261 PolarHBondContact OE1-OH 3.09Å; E237-Y261 WeakPolarHBondContact OE2-CE1 3.48Å; E237-Y261 PolarHBondContact OE2-OH 3.1Å; S255-Y261 WeakPolarHBondContact O-CD1 3.2Å; S255-Y261 PolarHBondContact OG-O 3Å; L256-Y261 WeakPolarHBondContact O-CA 3.24Å; L256-Y261 PolarHBondContact O-N 2.75Å; S257-Y261 VanDerWaalsContact CB-CZ 3.48Å; S257-Y261 WeakPolarHBondContact CB-OH 3.26Å; F259-Y261 PolarHBondContact O-N 3.1Å; F259-Y261 VanDerWaalsContact O-N 3.17Å; Y261-R320 HydrophobicContact CD1-CB 3.97Å; Y261-R320 HydrophobicContact CD1-CG 3.93Å; Y261-R320 HydrophobicContact CE1-CB 4.06Å; Y261-R320 HydrophobicContact CE1-CG 4.43Å; Y261-R320 VanDerWaalsContact CE1-NH2 3.28Å; Y261-R320 VanDerWaalsContact CG-CZ 3.41Å
262	K	94.2	Very high	95.3	Very high	148 Å²	148	50 Å²	50	64%	0.643	24%	0.238	S	C	*	.			trans	-103.6	144.8	169.7	-62.9	-175.9	179.5	-177.3	0	109.8	F259 N260 I264	F259-K262 WeakPolarHBondContact O-CB 3.45Å; F259-K262 PolarHBondContact O-N 3.08Å; N260-K262 PolarHBondContact O-N 2.97Å; K262-I264 PolarHBondContact O-N 2.85Å
263	L	94.3	Very high	95.3	Very high	40 Å²	40	49.8 Å²	49.8	21%	0.209	24%	0.236	C	C	.	.			trans	-60.2	127.3	168.2	-175.5	61.5	0	0	0	109.8	Y265 F268	L263-Y265 WeakPolarHBondContact CG-O 3.37Å; L263-F268 HydrophobicContact CD1-CB 4.04Å; L263-F268 HydrophobicContact CD1-CD1 4.02Å
264	I	91.9	Very high	95.4	Very high	67 Å²	67	49.8 Å²	49.8	34%	0.344	24%	0.236	S	C	.	.	S	Bend	trans	-67.6	-42.3	-173.6	-45.3	170.2	0	0	0	110.9	L256 F259 K262 F268	L256-I264 HydrophobicContact CD1-CD1 4.48Å; F259-I264 HydrophobicContact CB-CG1 4.25Å; F259-I264 HydrophobicContact CD1-CD1 4.33Å; F259-I264 HydrophobicContact CD1-CG1 4Å; F259-I264 HydrophobicContact CD1-CG2 4.29Å; F259-I264 HydrophobicContact CD2-CD1 3.46Å; F259-I264 VanDerWaalsContact CD2-CD1 3.46Å; F259-I264 HydrophobicContact CD2-CG1 3.51Å; F259-I264 HydrophobicContact CE1-CD1 4.07Å; F259-I264 HydrophobicContact CE1-CG1 4.21Å; F259-I264 HydrophobicContact CE1-CG2 4.18Å; F259-I264 HydrophobicContact CE2-CD1 3.16Å; F259-I264 HydrophobicContact CE2-CG1 3.76Å; F259-I264 HydrophobicContact CG-CD1 4.05Å; F259-I264 HydrophobicContact CG-CG1 3.64Å; F259-I264 HydrophobicContact CZ-CD1 3.5Å; F259-I264 VanDerWaalsContact CZ-CD1 3.5Å; F259-I264 HydrophobicContact CZ-CG1 4.09Å; K262-I264 PolarHBondContact O-N 2.85Å; I264-F268 HydrophobicContact CD1-CD1 4.21Å; I264-F268 HydrophobicContact CD1-CD2 4.2Å; I264-F268 HydrophobicContact CD1-CE1 4.07Å; I264-F268 HydrophobicContact CD1-CE2 4.06Å; I264-F268 HydrophobicContact CD1-CG 4.28Å; I264-F268 HydrophobicContact CD1-CZ 4Å; I264-F268 HydrophobicContact CG1-CD1 4.49Å
265	Y	94.9	Very high	95.6	Very high	93 Å²	93	49.8 Å²	49.8	37%	0.365	24%	0.236	S	C	.	.	S	Bend	trans	-160.5	155.2	173.3	53.6	-87.2	0	0	0	109.1	L263 R267 F268 D298	L263-Y265 WeakPolarHBondContact CG-O 3.37Å; Y265-R267 VanDerWaalsContact C-N 3.25Å; Y265-R267 HydrophobicContact CD2-CB 4.31Å; Y265-R267 HydrophobicContact CE2-CB 4.48Å; Y265-R267 PolarHBondContact O-N 3.33Å; Y265-R267 VanDerWaalsContact O-N 3.13Å; Y265-F268 HydrophobicContact CD1-CB 4.19Å; Y265-F268 HydrophobicContact CD2-CB 3.96Å; Y265-F268 VanDerWaalsContact CD2-N 3.35Å; Y265-F268 HydrophobicContact CE1-CB 3.99Å; Y265-F268 AromaticContact CE1-CD2 3.96Å; Y265-F268 HydrophobicContact CE1-CD2 3.96Å; Y265-F268 HydrophobicContact CE1-CG 4.33Å; Y265-F268 VanDerWaalsContact CE2-CA 3.44Å; Y265-F268 HydrophobicContact CE2-CB 3.78Å; Y265-F268 VanDerWaalsContact CE2-N 3.32Å; Y265-F268 HydrophobicContact CG-CB 4.17Å; Y265-F268 AromaticContact CZ-CD2 3.82Å; Y265-F268 VanDerWaalsContact O-CB 3.25Å; Y265-F268 WeakPolarHBondContact O-CB 3.28Å; Y265-F268 PolarHBondContact O-N 2.9Å; Y265-D298 WeakPolarHBondContact CE2-OD1 3.34Å; Y265-D298 PolarHBondContact OH-OD1 3.44Å; Y265-D298 PolarHBondContact OH-OD2 3.04Å
266	E	94.8	Very high	95.8	Very high	167 Å²	167	51.4 Å²	51.4	78%	0.78	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-40.7	-170.5	-175.2	178.4	-175	0	0	113.8	F268 R313	E266-F268 PolarHBondContact O-N 3Å; E266-R313 PolarHBondContact O-NH2 3.47Å
267	R	95.2	Very high	95.9	Very high	101 Å²	101	52.9 Å²	52.9	38%	0.381	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	13.7	-177.2	-60.9	-166.5	69.3	-164.1	-3.8	114.4	Y265 F269 L301 E305	Y265-R267 VanDerWaalsContact C-N 3.25Å; Y265-R267 HydrophobicContact CD2-CB 4.31Å; Y265-R267 HydrophobicContact CE2-CB 4.48Å; Y265-R267 PolarHBondContact O-N 3.33Å; Y265-R267 VanDerWaalsContact O-N 3.13Å; R267-F269 PolarHBondContact O-N 2.83Å; R267-L301 HydrophobicContact CB-CD2 3.78Å; R267-L301 HydrophobicContact CG-CD2 4.47Å; R267-L301 WeakPolarHBondContact O-CD2 3.48Å; R267-E305 IonicContact CZ-OE1 3.81Å; R267-E305 IonicContact CZ-OE2 3.7Å; R267-E305 IonicContact NE-OE1 3.52Å; R267-E305 IonicContact NH2-OE1 2.78Å; R267-E305 PolarHBondContact NH2-OE1 3.2Å; R267-E305 IonicContact NH2-OE2 3.22Å; R267-E305 PolarHBondContact NH2-OE2 2.95Å
268	F	96.3	Very high	96.1	Very high	19 Å²	19	57.4 Å²	57.4	8%	0.083	27%	0.274	C	S	.	.			trans	-67.8	125.3	178	175.8	-116.5	0	0	0	111.2	H251 L256 L263 I264 Y265 E266 R313	H251-F268 AromaticContact CE1-CD1 3.52Å; H251-F268 AromaticContact CE1-CE1 3.57Å; H251-F268 AromaticContact NE2-CE1 3.64Å; L256-F268 HydrophobicContact CD1-CE1 3.93Å; L256-F268 HydrophobicContact CD1-CZ 3.97Å; L263-F268 HydrophobicContact CD1-CB 4.04Å; L263-F268 HydrophobicContact CD1-CD1 4.02Å; I264-F268 HydrophobicContact CD1-CD1 4.21Å; I264-F268 HydrophobicContact CD1-CD2 4.2Å; I264-F268 HydrophobicContact CD1-CE1 4.07Å; I264-F268 HydrophobicContact CD1-CE2 4.06Å; I264-F268 HydrophobicContact CD1-CG 4.28Å; I264-F268 HydrophobicContact CD1-CZ 4Å; I264-F268 HydrophobicContact CG1-CD1 4.49Å; Y265-F268 HydrophobicContact CD1-CB 4.19Å; Y265-F268 HydrophobicContact CD2-CB 3.96Å; Y265-F268 VanDerWaalsContact CD2-N 3.35Å; Y265-F268 HydrophobicContact CE1-CB 3.99Å; Y265-F268 AromaticContact CE1-CD2 3.96Å; Y265-F268 HydrophobicContact CE1-CD2 3.96Å; Y265-F268 HydrophobicContact CE1-CG 4.33Å; Y265-F268 VanDerWaalsContact CE2-CA 3.44Å; Y265-F268 HydrophobicContact CE2-CB 3.78Å; Y265-F268 VanDerWaalsContact CE2-N 3.32Å; Y265-F268 HydrophobicContact CG-CB 4.17Å; Y265-F268 AromaticContact CZ-CD2 3.82Å; Y265-F268 VanDerWaalsContact O-CB 3.25Å; Y265-F268 WeakPolarHBondContact O-CB 3.28Å; Y265-F268 PolarHBondContact O-N 2.9Å; E266-F268 PolarHBondContact O-N 3Å; F268-R313 VanDerWaalsContact O-CZ 3.31Å; F268-R313 PolarHBondContact O-NH1 3.05Å; F268-R313 PolarHBondContact O-NH2 3.42Å
269	F	97.5	Very high	96.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.247	C	C	.	.			trans	-140.2	45.5	-175.8	-166.7	-112.5	0	0	0	112	P249 H251 R267 V273 F275 L300 L301 V304 L311	P249-F269 HydrophobicContact CB-CZ 3.88Å; H251-F269 HydrophobicContact CB-CD2 3.64Å; H251-F269 HydrophobicContact CB-CE2 3.79Å; R267-F269 PolarHBondContact O-N 2.83Å; F269-V273 HydrophobicContact CD1-CG1 4.02Å; F269-V273 HydrophobicContact CD2-CG1 3.93Å; F269-V273 HydrophobicContact CE1-CB 4.1Å; F269-V273 HydrophobicContact CE1-CG1 3.86Å; F269-V273 HydrophobicContact CE1-CG2 4.38Å; F269-V273 HydrophobicContact CE2-CB 4.31Å; F269-V273 HydrophobicContact CE2-CG1 3.8Å; F269-V273 HydrophobicContact CG-CG1 4.04Å; F269-V273 HydrophobicContact CZ-CB 3.87Å; F269-V273 HydrophobicContact CZ-CG1 3.75Å; F269-F275 HydrophobicContact CE1-CE2 4.11Å; F269-F275 AromaticContact CE1-CZ 3.78Å; F269-F275 HydrophobicContact CE1-CZ 3.78Å; F269-F275 HydrophobicContact CZ-CE2 4.33Å; F269-F275 HydrophobicContact CZ-CZ 4.12Å; F269-L300 HydrophobicContact CD1-CD2 3.86Å; F269-L300 HydrophobicContact CD1-CG 4.35Å; F269-L300 HydrophobicContact CE1-CD2 3.72Å; F269-L300 HydrophobicContact CE1-CG 4.28Å; F269-L301 HydrophobicContact CB-CB 3.91Å; F269-L301 HydrophobicContact CB-CD1 4.33Å; F269-L301 HydrophobicContact CB-CD2 4.22Å; F269-L301 HydrophobicContact CB-CG 4.38Å; F269-L301 HydrophobicContact CD1-CB 4.21Å; F269-L301 HydrophobicContact CD1-CD1 4.46Å; F269-L301 HydrophobicContact CD2-CD1 4.5Å; F269-L301 HydrophobicContact CG-CB 4.27Å; F269-L301 HydrophobicContact CG-CD1 4.19Å; F269-V304 HydrophobicContact CE1-CG2 4.12Å; F269-L311 HydrophobicContact CD2-CD1 3.19Å; F269-L311 HydrophobicContact CE2-CD1 3.54Å; F269-L311 HydrophobicContact CG-CD1 4.17Å
270	G	96.2	Very high	96.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.228	C	C	.	.			trans	-115	-165.6	-178.3	0	0	0	0	0	113.7	H251 S253 V272 D297	H251-G270 PolarHBondContact CD2-O 3.46Å; H251-G270 PolarHBondContact NE2-O 3.49Å; S253-G270 PolarHBondContact OG-O 3.5Å; G270-V272 PolarHBondContact O-N 2.83Å; G270-D297 WeakPolarHBondContact CA-OD2 3.46Å
271	G	97.4	Very high	96.7	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	73	-87.1	176.4	0	0	0	0	0	113.6	D231 S253	D231-G271 WeakPolarHBondContact CB-O 3.18Å; D231-G271 VanDerWaalsContact CG-O 3.28Å; D231-G271 PolarHBondContact N-O 3.13Å; D231-G271 WeakPolarHBondContact OD2-CA 3.44Å; S253-G271 WeakPolarHBondContact OG-CA 3.37Å
272	V	98.7	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	113.9	179.6	-170.1	0	0	0	0	110.2	I228 L229 H230 K234 H251 L252 S253 G270 Y321	I228-V272 HydrophobicContact CG2-CG1 3.77Å; L229-V272 VanDerWaalsContact O-CA 3.32Å; L229-V272 WeakPolarHBondContact O-CA 3.32Å; H230-V272 HydrophobicContact CB-CG1 4.31Å; H230-V272 VanDerWaalsContact CD2-CG1 3.49Å; H230-V272 WeakPolarHBondContact CD2-CG1 3.48Å; K234-V272 HydrophobicContact CB-CG2 3.96Å; K234-V272 HydrophobicContact CG-CG2 4.42Å; H251-V272 PolarHBondContact CD2-O 2.84Å; L252-V272 HydrophobicContact CB-CB 4.3Å; L252-V272 HydrophobicContact CB-CG1 4.17Å; L252-V272 HydrophobicContact CD1-CG1 4.02Å; L252-V272 HydrophobicContact CG-CG1 4.49Å; L252-V272 PolarHBondContact N-O 3Å; S253-V272 PolarHBondContact N-O 2.85Å; S253-V272 PolarHBondContact OG-N 2.97Å; G270-V272 PolarHBondContact O-N 2.83Å; V272-Y321 HydrophobicContact CB-CE1 4.26Å; V272-Y321 HydrophobicContact CG2-CD1 4.2Å; V272-Y321 HydrophobicContact CG2-CE1 3.68Å
273	V	98.7	Very high	97.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154	-179.4	-63.5	0	0	0	0	111.2	L229 T250 H251 F269 F275 L300	L229-V273 HydrophobicContact CB-CG2 3.93Å; L229-V273 HydrophobicContact CD1-CG2 4.17Å; L229-V273 HydrophobicContact CG-CG2 4.36Å; L229-V273 PolarHBondContact N-O 2.99Å; L229-V273 PolarHBondContact O-N 2.85Å; T250-V273 CarbonylContact O-C 3.55Å; T250-V273 VanDerWaalsContact O-CA 3.27Å; T250-V273 WeakPolarHBondContact O-CA 3.35Å; H251-V273 HydrophobicContact CB-CG1 4.29Å; F269-V273 HydrophobicContact CD1-CG1 4.02Å; F269-V273 HydrophobicContact CD2-CG1 3.93Å; F269-V273 HydrophobicContact CE1-CB 4.1Å; F269-V273 HydrophobicContact CE1-CG1 3.86Å; F269-V273 HydrophobicContact CE1-CG2 4.38Å; F269-V273 HydrophobicContact CE2-CB 4.31Å; F269-V273 HydrophobicContact CE2-CG1 3.8Å; F269-V273 HydrophobicContact CG-CG1 4.04Å; F269-V273 HydrophobicContact CZ-CB 3.87Å; F269-V273 HydrophobicContact CZ-CG1 3.75Å; V273-F275 HydrophobicContact CB-CE2 4.31Å; V273-F275 HydrophobicContact CG2-CD2 4.4Å; V273-F275 HydrophobicContact CG2-CE2 3.8Å; V273-L300 HydrophobicContact CG2-CD2 4.25Å
274	T	98.7	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.4	-176	73.2	0	0	0	0	112.2	F227 I228 T244 P249 T250 L252	F227-T274 WeakPolarHBondContact O-CA 3.43Å; I228-T274 HydrophobicContact CD1-CG2 3.52Å; I228-T274 HydrophobicContact CG2-CG2 4.43Å; T244-T274 WeakPolarHBondContact O-CG2 3.32Å; P249-T274 WeakPolarHBondContact CA-O 3.48Å; T250-T274 WeakPolarHBondContact CB-OG1 3.23Å; T250-T274 PolarHBondContact N-O 2.82Å; T250-T274 VanDerWaalsContact N-O 3.17Å; T250-T274 PolarHBondContact O-N 2.82Å; L252-T274 HydrophobicContact CD1-CG2 3.49Å; L252-T274 VanDerWaalsContact CD1-CG2 3.49Å; L252-T274 HydrophobicContact CD2-CG2 4.1Å; L252-T274 HydrophobicContact CG-CG2 3.68Å
275	F	98.7	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.5	174.8	-69.4	-97.5	0	0	0	111	F227 L229 C245 P249 F269 V273 Q279 Y280 I283 L300 V304	F227-F275 PolarHBondContact N-O 2.73Å; F227-F275 PolarHBondContact O-N 3.34Å; L229-F275 HydrophobicContact CD1-CD2 3.76Å; L229-F275 HydrophobicContact CD1-CE2 3.88Å; L229-F275 HydrophobicContact CG-CD2 4.35Å; C245-F275 PolarHBondContact SG-O 2.99Å; P249-F275 HydrophobicContact CB-CD1 3.77Å; P249-F275 HydrophobicContact CB-CE1 3.47Å; P249-F275 VanDerWaalsContact CB-CE1 3.47Å; P249-F275 HydrophobicContact CB-CG 4.43Å; P249-F275 HydrophobicContact CB-CZ 3.9Å; P249-F275 HydrophobicContact CG-CD1 3.65Å; P249-F275 HydrophobicContact CG-CE1 3.5Å; P249-F275 HydrophobicContact CG-CZ 4.4Å; F269-F275 HydrophobicContact CE1-CE2 4.11Å; F269-F275 AromaticContact CE1-CZ 3.78Å; F269-F275 HydrophobicContact CE1-CZ 3.78Å; F269-F275 HydrophobicContact CZ-CE2 4.33Å; F269-F275 HydrophobicContact CZ-CZ 4.12Å; V273-F275 HydrophobicContact CB-CE2 4.31Å; V273-F275 HydrophobicContact CG2-CD2 4.4Å; V273-F275 HydrophobicContact CG2-CE2 3.8Å; F275-Q279 HydrophobicContact CB-CB 4.5Å; F275-Q279 HydrophobicContact CD1-CB 4Å; F275-Y280 HydrophobicContact CB-CD2 4.03Å; F275-Y280 HydrophobicContact CB-CG 4.38Å; F275-Y280 AromaticContact CD1-CD2 3.94Å; F275-Y280 HydrophobicContact CD1-CD2 3.94Å; F275-Y280 AromaticContact CD2-CD2 3.86Å; F275-Y280 HydrophobicContact CD2-CD2 3.86Å; F275-Y280 HydrophobicContact CD2-CE2 4.31Å; F275-Y280 HydrophobicContact CE1-CD2 4.31Å; F275-Y280 HydrophobicContact CE2-CD2 4.25Å; F275-Y280 HydrophobicContact CE2-CE2 4.42Å; F275-Y280 AromaticContact CG-CD2 3.69Å; F275-Y280 HydrophobicContact CG-CD2 3.69Å; F275-Y280 HydrophobicContact CG-CG 4.47Å; F275-Y280 HydrophobicContact CZ-CD2 4.45Å; F275-I283 HydrophobicContact CD1-CD1 4.29Å; F275-I283 HydrophobicContact CE1-CD1 3.47Å; F275-I283 VanDerWaalsContact CE1-CD1 3.47Å; F275-I283 HydrophobicContact CE1-CG1 4.23Å; F275-I283 HydrophobicContact CZ-CD1 3.79Å; F275-L300 HydrophobicContact CE2-CD2 3.97Å; F275-L300 HydrophobicContact CZ-CD1 4.29Å; F275-L300 HydrophobicContact CZ-CD2 3.9Å; F275-L300 HydrophobicContact CZ-CG 4.16Å; F275-V304 HydrophobicContact CE1-CG2 3.74Å; F275-V304 HydrophobicContact CZ-CG2 3.85Å
276	T	98.3	Very high	97.8	Very high	37 Å²	37	33.6 Å²	33.6	23%	0.227	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	163.1	157	69.9	0	0	0	0	109.7	C245 D278 Q279 Y280	C245-T276 HydrophobicContact CB-CG2 3.61Å; T276-D278 VanDerWaalsContact C-N 3.32Å; T276-D278 PolarHBondContact O-N 2.98Å; T276-Q279 PolarHBondContact O-N 2.65Å; T276-Q279 WeakPolarHBondContact OG1-CB 3.36Å; T276-Q279 VanDerWaalsContact OG1-CD 3.26Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.25Å; T276-Q279 PolarHBondContact OG1-N 2.98Å; T276-Q279 PolarHBondContact OG1-OE1 3.35Å; T276-Y280 PolarHBondContact O-N 2.83Å
277	R	97.1	Very high	97.9	Very high	38 Å²	38	25.6 Å²	25.6	14%	0.143	12%	0.122	C	C	.	.	H	α-helix	trans	-51.4	-52.8	173.1	-178.7	173.5	-76	82.5	16.5	111.9	F215 E223 Y224 F227 Q279 Y280 L281	F215-R277 HydrophobicContact CZ-CG 4.26Å; E223-R277 VanDerWaalsContact CG-CZ 3.42Å; E223-R277 IonicContact OE1-NH1 3.31Å; Y224-R277 PolarHBondContact O-NH1 3.46Å; Y224-R277 PolarHBondContact O-NH2 2.86Å; F227-R277 HydrophobicContact CE2-CB 3.88Å; F227-R277 HydrophobicContact CE2-CG 4.48Å; R277-Q279 VanDerWaalsContact C-N 3.33Å; R277-Q279 PolarHBondContact O-N 3.47Å; R277-Y280 PolarHBondContact O-N 3.17Å; R277-L281 HydrophobicContact CG-CD1 3.74Å; R277-L281 HydrophobicContact CG-CG 4.29Å; R277-L281 WeakPolarHBondContact O-CG 3.34Å; R277-L281 PolarHBondContact O-N 2.84Å
278	D	98	Very high	98.1	Very high	115 Å²	115	21.9 Å²	21.9	62%	0.615	11%	0.109	S	C	*	.	H	α-helix	trans	-64.1	-40.1	-174.4	-64.2	-15.8	0	0	0	111.7	T276 K282	T276-D278 VanDerWaalsContact C-N 3.32Å; T276-D278 PolarHBondContact O-N 2.98Å; D278-K282 WeakPolarHBondContact O-CB 3.28Å; D278-K282 PolarHBondContact O-N 3.21Å
279	Q	98.6	Very high	98.1	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.028	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-49.1	174.8	-72.4	162.8	-3.8	0	0	110.7	G246 P247 P249 F275 T276 R277 K282 I283 Y309	G246-Q279 PolarHBondContact O-NE2 3.01Å; P247-Q279 PolarHBondContact O-NE2 3.02Å; P249-Q279 HydrophobicContact CG-CB 4.31Å; P249-Q279 HydrophobicContact CG-CG 4.36Å; F275-Q279 HydrophobicContact CB-CB 4.5Å; F275-Q279 HydrophobicContact CD1-CB 4Å; T276-Q279 PolarHBondContact O-N 2.65Å; T276-Q279 WeakPolarHBondContact OG1-CB 3.36Å; T276-Q279 VanDerWaalsContact OG1-CD 3.26Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.25Å; T276-Q279 PolarHBondContact OG1-N 2.98Å; T276-Q279 PolarHBondContact OG1-OE1 3.35Å; R277-Q279 VanDerWaalsContact C-N 3.33Å; R277-Q279 PolarHBondContact O-N 3.47Å; Q279-K282 PolarHBondContact O-N 3.47Å; Q279-I283 WeakPolarHBondContact O-CG1 3.38Å; Q279-I283 WeakPolarHBondContact O-CG2 3.45Å; Q279-I283 PolarHBondContact O-N 2.68Å; Q279-I283 VanDerWaalsContact O-N 3.08Å; Q279-Y309 HydrophobicContact CB-CE2 4.15Å; Q279-Y309 HydrophobicContact CG-CD1 4.42Å; Q279-Y309 HydrophobicContact CG-CE1 3.82Å; Q279-Y309 HydrophobicContact CG-CE2 4Å
280	Y	98.5	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.3	-39	-176.2	-158.1	-109.6	0	0	0	113	N212 F215 L229 F275 T276 R277 I283 N284 G285 F286 L354	N212-Y280 PolarHBondContact OD1-OH 2.04Å; F215-Y280 HydrophobicContact CB-CD1 3.96Å; F215-Y280 HydrophobicContact CB-CE1 3.56Å; F215-Y280 AromaticContact CD1-CD1 3.7Å; F215-Y280 HydrophobicContact CD1-CD1 3.7Å; F215-Y280 AromaticContact CD1-CE1 3.95Å; F215-Y280 HydrophobicContact CD1-CE1 3.95Å; F215-Y280 AromaticContact CD2-CD1 3.28Å; F215-Y280 HydrophobicContact CD2-CD1 3.28Å; F215-Y280 AromaticContact CD2-CE1 3.82Å; F215-Y280 HydrophobicContact CD2-CE1 3.82Å; F215-Y280 HydrophobicContact CD2-CG 4.06Å; F215-Y280 AromaticContact CE1-CD1 3.99Å; F215-Y280 HydrophobicContact CE1-CD1 3.99Å; F215-Y280 AromaticContact CE2-CD1 3.59Å; F215-Y280 HydrophobicContact CE2-CD1 3.59Å; F215-Y280 HydrophobicContact CE2-CG 4.13Å; F215-Y280 AromaticContact CG-CD1 3.35Å; F215-Y280 HydrophobicContact CG-CD1 3.35Å; F215-Y280 AromaticContact CG-CE1 3.49Å; F215-Y280 HydrophobicContact CG-CE1 3.49Å; F215-Y280 VanDerWaalsContact CG-CE1 3.49Å; F215-Y280 HydrophobicContact CG-CG 4.5Å; F215-Y280 AromaticContact CZ-CD1 3.94Å; F215-Y280 HydrophobicContact CZ-CD1 3.94Å; L229-Y280 HydrophobicContact CD1-CD2 4.09Å; L229-Y280 HydrophobicContact CD1-CE2 3.36Å; F275-Y280 HydrophobicContact CB-CD2 4.03Å; F275-Y280 HydrophobicContact CB-CG 4.38Å; F275-Y280 AromaticContact CD1-CD2 3.94Å; F275-Y280 HydrophobicContact CD1-CD2 3.94Å; F275-Y280 AromaticContact CD2-CD2 3.86Å; F275-Y280 HydrophobicContact CD2-CD2 3.86Å; F275-Y280 HydrophobicContact CD2-CE2 4.31Å; F275-Y280 HydrophobicContact CE1-CD2 4.31Å; F275-Y280 HydrophobicContact CE2-CD2 4.25Å; F275-Y280 HydrophobicContact CE2-CE2 4.42Å; F275-Y280 AromaticContact CG-CD2 3.69Å; F275-Y280 HydrophobicContact CG-CD2 3.69Å; F275-Y280 HydrophobicContact CG-CG 4.47Å; F275-Y280 HydrophobicContact CZ-CD2 4.45Å; T276-Y280 PolarHBondContact O-N 2.83Å; R277-Y280 PolarHBondContact O-N 3.17Å; Y280-I283 HydrophobicContact CD2-CD1 4.2Å; Y280-I283 HydrophobicContact CD2-CG1 4.5Å; Y280-I283 HydrophobicContact CE2-CD1 4.46Å; Y280-I283 WeakPolarHBondContact O-CG1 3.25Å; Y280-N284 PolarHBondContact O-N 2.71Å; Y280-G285 PolarHBondContact O-N 2.9Å; Y280-G285 VanDerWaalsContact O-N 3.14Å; Y280-F286 HydrophobicContact CE2-CD2 4.49Å; Y280-F286 VanDerWaalsContact OH-CD2 3.31Å; Y280-F286 WeakPolarHBondContact OH-CD2 3.2Å; Y280-L354 HydrophobicContact CD1-CD1 3.89Å; Y280-L354 HydrophobicContact CE1-CD1 4.07Å; Y280-L354 HydrophobicContact CE1-CD2 4.01Å; Y280-L354 HydrophobicContact CE1-CG 4.38Å
281	L	98.1	Very high	98.2	Very high	90 Å²	90	26 Å²	26	47%	0.471	13%	0.13	S	C	.	.	H	α-helix	trans	-62.9	-45.5	172.2	-71.2	174.4	0	0	0	111.4	F215 R277 I283 N284 L354	F215-L281 HydrophobicContact CE1-CD2 3.64Å; F215-L281 HydrophobicContact CE1-CG 4.22Å; F215-L281 HydrophobicContact CZ-CD2 3.85Å; F215-L281 HydrophobicContact CZ-CG 3.9Å; R277-L281 HydrophobicContact CG-CD1 3.74Å; R277-L281 HydrophobicContact CG-CG 4.29Å; R277-L281 WeakPolarHBondContact O-CG 3.34Å; R277-L281 PolarHBondContact O-N 2.84Å; L281-I283 VanDerWaalsContact C-N 3.34Å; L281-I283 PolarHBondContact O-N 2.93Å; L281-N284 PolarHBondContact O-N 2.85Å; L281-N284 VanDerWaalsContact O-N 3.09Å; L281-L354 HydrophobicContact CD2-CD1 4.3Å
282	K	98.4	Very high	98.1	Very high	113 Å²	113	26 Å²	26	49%	0.491	13%	0.13	S	C	.	.	H	α-helix	trans	-62.9	-39.1	-177.4	-169.3	-175.7	-173.4	-166.2	0	112.6	D278 Q279 N284 S307 Y309	D278-K282 WeakPolarHBondContact O-CB 3.28Å; D278-K282 PolarHBondContact O-N 3.21Å; Q279-K282 PolarHBondContact O-N 3.47Å; K282-N284 PolarHBondContact O-N 3.09Å; K282-S307 VanDerWaalsContact CE-O 3.24Å; K282-S307 WeakPolarHBondContact CE-O 3.44Å; K282-S307 PolarHBondContact NZ-O 3.45Å; K282-Y309 HydrophobicContact CB-CE2 4.3Å; K282-Y309 HydrophobicContact CD-CE2 3.64Å; K282-Y309 VanDerWaalsContact CD-OH 3.27Å; K282-Y309 WeakPolarHBondContact CD-OH 3.35Å; K282-Y309 HydrophobicContact CG-CE2 4.41Å
283	I	98.3	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-3	178.3	67.7	149.7	0	0	0	113.4	F275 Q279 Y280 L281 G285 L300 R303 V304 S307 Y309	F275-I283 HydrophobicContact CD1-CD1 4.29Å; F275-I283 HydrophobicContact CE1-CD1 3.47Å; F275-I283 VanDerWaalsContact CE1-CD1 3.47Å; F275-I283 HydrophobicContact CE1-CG1 4.23Å; F275-I283 HydrophobicContact CZ-CD1 3.79Å; Q279-I283 WeakPolarHBondContact O-CG1 3.38Å; Q279-I283 WeakPolarHBondContact O-CG2 3.45Å; Q279-I283 PolarHBondContact O-N 2.68Å; Q279-I283 VanDerWaalsContact O-N 3.08Å; Y280-I283 HydrophobicContact CD2-CD1 4.2Å; Y280-I283 HydrophobicContact CD2-CG1 4.5Å; Y280-I283 HydrophobicContact CE2-CD1 4.46Å; Y280-I283 WeakPolarHBondContact O-CG1 3.25Å; L281-I283 VanDerWaalsContact C-N 3.34Å; L281-I283 PolarHBondContact O-N 2.93Å; I283-G285 PolarHBondContact O-N 2.85Å; I283-L300 HydrophobicContact CD1-CD1 3.52Å; I283-L300 HydrophobicContact CD1-CG 4.37Å; I283-R303 HydrophobicContact CB-CB 4.11Å; I283-V304 HydrophobicContact CD1-CG2 4.32Å; I283-V304 HydrophobicContact CG2-CG2 4.36Å; I283-S307 WeakPolarHBondContact CG2-OG 3.27Å; I283-Y309 HydrophobicContact CG2-CD2 4.16Å; I283-Y309 HydrophobicContact CG2-CE2 4.3Å
284	N	98.6	Very high	97.9	Very high	17 Å²	17	33.2 Å²	33.2	9%	0.091	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	30.9	-172.8	-164.8	30.9	0	0	0	113.6	Y280 L281 K282 F349 G353 L354 N355	Y280-N284 PolarHBondContact O-N 2.71Å; L281-N284 PolarHBondContact O-N 2.85Å; L281-N284 VanDerWaalsContact O-N 3.09Å; K282-N284 PolarHBondContact O-N 3.09Å; N284-F349 WeakPolarHBondContact CB-O 3.33Å; N284-F349 PolarHBondContact ND2-O 3.18Å; N284-G353 CarbonylContact O-C 3.57Å; N284-G353 VanDerWaalsContact O-CA 3.24Å; N284-G353 WeakPolarHBondContact O-CA 3.33Å; N284-L354 PolarHBondContact O-N 3.22Å; N284-L354 WeakPolarHBondContact OD1-CB 3.24Å; N284-L354 PolarHBondContact OD1-N 3.07Å; N284-L354 VanDerWaalsContact OD1-N 3.09Å; N284-N355 PolarHBondContact ND2-OD1 2.92Å; N284-N355 PolarHBondContact OD1-N 3.1Å; N284-N355 VanDerWaalsContact OD1-N 3.08Å; N284-N355 PolarHBondContact OD1-OD1 3.11Å
285	G	98.5	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	55.6	-157.9	-177.5	0	0	0	0	0	115.1	N212 Y280 I283 R303	N212-G285 WeakPolarHBondContact OD1-CA 2.89Å; Y280-G285 PolarHBondContact O-N 2.9Å; Y280-G285 VanDerWaalsContact O-N 3.14Å; I283-G285 PolarHBondContact O-N 2.85Å; G285-R303 WeakPolarHBondContact O-CD 3.32Å; G285-R303 PolarHBondContact O-NH1 2.98Å
286	F	98.7	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-69.1	157.5	174.9	-77.2	-93.2	0	0	0	112	G208 L211 N212 L229 Y280 E296 L300 G353	G208-F286 VanDerWaalsContact CA-CB 3.47Å; L211-F286 HydrophobicContact CB-CD2 3.92Å; L211-F286 HydrophobicContact CB-CE2 3.87Å; L211-F286 HydrophobicContact CD1-CD2 4.06Å; L211-F286 HydrophobicContact CD1-CE1 4.45Å; L211-F286 HydrophobicContact CD1-CE2 3.33Å; L211-F286 HydrophobicContact CD1-CZ 3.54Å; L211-F286 HydrophobicContact CG-CE2 4.22Å; N212-F286 PolarHBondContact ND2-N 2.78Å; N212-F286 PolarHBondContact ND2-O 2.99Å; N212-F286 PolarHBondContact OD1-N 3.37Å; L229-F286 HydrophobicContact CD1-CE2 3.72Å; Y280-F286 HydrophobicContact CE2-CD2 4.49Å; Y280-F286 VanDerWaalsContact OH-CD2 3.31Å; Y280-F286 WeakPolarHBondContact OH-CD2 3.2Å; F286-E296 HydrophobicContact CD1-CB 4.37Å; F286-E296 HydrophobicContact CD1-CG 4.38Å; F286-E296 HydrophobicContact CE1-CG 4.3Å; F286-L300 HydrophobicContact CD1-CB 3.95Å; F286-L300 HydrophobicContact CD1-CD1 3.97Å; F286-L300 HydrophobicContact CD1-CD2 4.32Å; F286-L300 HydrophobicContact CD1-CG 4.3Å; F286-L300 HydrophobicContact CD2-CD1 3.92Å; F286-L300 HydrophobicContact CE1-CB 3.82Å; F286-L300 HydrophobicContact CE1-CD1 4.12Å; F286-L300 HydrophobicContact CE1-CD2 3.62Å; F286-L300 HydrophobicContact CE1-CG 4.06Å; F286-L300 HydrophobicContact CE2-CD1 4.03Å; F286-L300 HydrophobicContact CE2-CD2 3.86Å; F286-L300 HydrophobicContact CG-CD1 3.88Å; F286-L300 HydrophobicContact CZ-CB 4.44Å; F286-L300 HydrophobicContact CZ-CD1 4.16Å; F286-L300 HydrophobicContact CZ-CD2 3.36Å; F286-L300 HydrophobicContact CZ-CG 4.19Å; F286-G353 VanDerWaalsContact O-CA 3.3Å; F286-G353 WeakPolarHBondContact O-CA 2.97Å
287	S	98.2	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.			trans	-62.8	138.9	159.6	175.3	0	0	0	0	110.7	L289 Y290 R303 D352	S287-L289 VanDerWaalsContact C-N 3.25Å; S287-L289 PolarHBondContact O-N 3.29Å; S287-L289 WeakPolarHBondContact OG-CB 3.42Å; S287-L289 PolarHBondContact OG-N 3.28Å; S287-Y290 VanDerWaalsContact CB-CE2 3.49Å; S287-R303 VanDerWaalsContact CB-NH2 3.34Å; S287-D352 WeakPolarHBondContact CA-OD2 3.47Å; S287-D352 WeakPolarHBondContact CB-OD2 3.28Å; S287-D352 PolarHBondContact OG-OD2 3.18Å
288	N	97.9	Very high	97.9	Very high	22 Å²	22	33.5 Å²	33.5	12%	0.118	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.8	175.3	-56.3	-45.4	0	0	0	112.5	N206 A209 N212 D352 G353 L357	N206-N288 PolarHBondContact ND2-O 3.26Å; A209-N288 HydrophobicContact CB-CB 4.47Å; N212-N288 PolarHBondContact ND2-OD1 2.82Å; N288-D352 PolarHBondContact N-OD1 3.09Å; N288-G353 PolarHBondContact ND2-N 3.48Å; N288-G353 PolarHBondContact ND2-O 3.44Å; N288-L357 HydrophobicContact CB-CD1 4.47Å; N288-L357 WeakPolarHBondContact ND2-CA 3.5Å; N288-L357 PolarHBondContact ND2-N 3.03Å
289	L	97	Very high	97.9	Very high	39 Å²	39	28 Å²	28	20%	0.204	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-8.3	-169.3	-59.7	177.9	0	0	0	114.4	S287 E291 L341 K382	S287-L289 VanDerWaalsContact C-N 3.25Å; S287-L289 PolarHBondContact O-N 3.29Å; S287-L289 WeakPolarHBondContact OG-CB 3.42Å; S287-L289 PolarHBondContact OG-N 3.28Å; L289-E291 PolarHBondContact O-N 2.78Å; L289-L341 HydrophobicContact CB-CD1 4.37Å; L289-L341 HydrophobicContact CB-CD2 4.2Å; L289-L341 HydrophobicContact CD1-CD2 4.42Å; L289-L341 WeakPolarHBondContact O-CD1 3.2Å; L289-K382 HydrophobicContact CD2-CD 3.87Å
290	Y	97.7	Very high	97.9	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.008	13%	0.134	C	C	.	.			trans	-88.2	96.3	-178.9	-66	-91.8	0	0	0	110.6	N206 S287 G294 G295 E296 D299 R338 L341 L342	N206-Y290 PolarHBondContact OD1-O 3.37Å; S287-Y290 VanDerWaalsContact CB-CE2 3.49Å; Y290-G294 WeakPolarHBondContact CD1-O 3.36Å; Y290-G295 VanDerWaalsContact CE1-C 3.45Å; Y290-E296 HydrophobicContact CD1-CB 4.19Å; Y290-E296 HydrophobicContact CD2-CB 3.84Å; Y290-E296 HydrophobicContact CG-CB 3.62Å; Y290-D299 HydrophobicContact CE2-CB 3.63Å; Y290-D299 VanDerWaalsContact CE2-OD2 3.22Å; Y290-D299 WeakPolarHBondContact CE2-OD2 3.49Å; Y290-D299 WeakPolarHBondContact OH-CB 3.36Å; Y290-D299 PolarHBondContact OH-OD2 2.86Å; Y290-R338 HydrophobicContact CD1-CB 4.34Å; Y290-R338 HydrophobicContact CE1-CB 4.21Å; Y290-L341 HydrophobicContact CD1-CD1 3.95Å; Y290-L341 HydrophobicContact CE1-CB 3.78Å; Y290-L341 HydrophobicContact CE1-CD1 3.96Å; Y290-L341 HydrophobicContact CE2-CB 4.46Å; Y290-L341 HydrophobicContact CG-CD1 4.33Å; Y290-L342 WeakPolarHBondContact OH-CA 3.3Å; Y290-L342 PolarHBondContact OH-N 3.27Å; Y290-L342 VanDerWaalsContact OH-N 3.15Å
291	E	97.1	Very high	97.9	Very high	65 Å²	65	27.8 Å²	27.8	30%	0.304	13%	0.134	S	C	.	.			trans	-98.8	130	170.4	-66.7	-174.1	142	0	0	110.7	R203 K204 L289 N335	R203-E291 IonicContact CZ-OE1 2.99Å; R203-E291 IonicContact NE-OE1 3.43Å; R203-E291 IonicContact NH2-OE1 3.54Å; R203-E291 PolarHBondContact NH2-OE1 3.42Å; K204-E291 HydrophobicContact CB-CB 3.88Å; L289-E291 PolarHBondContact O-N 2.78Å; E291-N335 WeakPolarHBondContact O-CB 3.21Å; E291-N335 PolarHBondContact O-ND2 3.03Å
292	G	97	Very high	97.9	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	12%	0.124	C	C	.	.	S	Bend	trans	80.4	-164.3	-169.4	0	0	0	0	0	112.1	F205 E333	F205-G292 PolarHBondContact O-N 3.49Å; G292-E333 WeakPolarHBondContact CA-O 3.34Å
293	W	96.5	Very high	97.9	Very high	144 Å²	144	20.5 Å²	20.5	55%	0.545	10%	0.101	S	C	.	.	B	Isolated β-bridge	trans	-89.7	128.7	-169.7	-178.4	83.7	0	0	0	113.5	N332 E333 K334 N335	W293-N332 WeakPolarHBondContact CB-O 3.41Å; W293-E333 PolarHBondContact N-O 3.3Å; W293-K334 HydrophobicContact CE3-CB 4.12Å; W293-K334 HydrophobicContact CE3-CD 4.35Å; W293-K334 HydrophobicContact CE3-CG 3.95Å; W293-K334 HydrophobicContact CZ3-CD 4.15Å; W293-K334 HydrophobicContact CZ3-CG 4.2Å; W293-K334 WeakPolarHBondContact O-CA 3.29Å; W293-N335 PolarHBondContact O-N 2.91Å
294	G	96.5	Very high	97.9	Very high	7 Å²	7	20.5 Å²	20.5	7%	0.072	10%	0.101	C	C	.	.	S	Bend	trans	107.5	146.1	156	0	0	0	0	0	115.3	Y290 E296 R338	Y290-G294 WeakPolarHBondContact CD1-O 3.36Å; G294-E296 VanDerWaalsContact CA-OE2 3.28Å; G294-E296 WeakPolarHBondContact CA-OE2 3.41Å; G294-E296 PolarHBondContact N-OE2 3.22Å; G294-R338 WeakPolarHBondContact O-CB 3.41Å
295	G	97.4	Very high	97.9	Very high	10 Å²	10	23.5 Å²	23.5	10%	0.103	11%	0.114	C	C	.	.	S	Bend	trans	91	-16.2	174.5	0	0	0	0	0	114.8	Y290 D298 D299	Y290-G295 VanDerWaalsContact CE1-C 3.45Å; G295-D298 PolarHBondContact O-N 3.44Å; G295-D299 PolarHBondContact O-N 3.25Å
296	E	98.3	Very high	97.8	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-68.5	-35.1	-178.4	75.6	-79.2	-166.2	0	0	113	R207 F286 Y290 G294 L300	R207-E296 IonicContact CZ-OE1 3.51Å; R207-E296 IonicContact NH1-OE1 3.53Å; R207-E296 PolarHBondContact NH1-OE1 3.32Å; R207-E296 VanDerWaalsContact NH1-OE1 3.07Å; F286-E296 HydrophobicContact CD1-CB 4.37Å; F286-E296 HydrophobicContact CD1-CG 4.38Å; F286-E296 HydrophobicContact CE1-CG 4.3Å; Y290-E296 HydrophobicContact CD1-CB 4.19Å; Y290-E296 HydrophobicContact CD2-CB 3.84Å; Y290-E296 HydrophobicContact CG-CB 3.62Å; G294-E296 VanDerWaalsContact CA-OE2 3.28Å; G294-E296 WeakPolarHBondContact CA-OE2 3.41Å; G294-E296 PolarHBondContact N-OE2 3.22Å; E296-L300 PolarHBondContact O-N 3.25Å
297	D	98	Very high	97.8	Very high	20 Å²	20	28.5 Å²	28.5	11%	0.107	14%	0.139	C	C	.	.	H	α-helix	trans	-72	-35.8	177.1	-68.8	-38.5	0	0	0	111.8	R207 G270 L300 L301	R207-D297 IonicContact CZ-OD1 2.66Å; R207-D297 VanDerWaalsContact CZ-OD1 3.31Å; R207-D297 IonicContact CZ-OD2 2.63Å; R207-D297 IonicContact NH1-OD1 3.56Å; R207-D297 PolarHBondContact NH1-OD1 2.87Å; R207-D297 IonicContact NH1-OD2 3.43Å; R207-D297 PolarHBondContact NH1-OD2 3.48Å; R207-D297 IonicContact NH2-OD1 3.62Å; R207-D297 PolarHBondContact NH2-OD1 3.24Å; R207-D297 VanDerWaalsContact NH2-OD1 3.09Å; R207-D297 IonicContact NH2-OD2 3.72Å; G270-D297 WeakPolarHBondContact CA-OD2 3.46Å; D297-L300 WeakPolarHBondContact O-CB 3.27Å; D297-L300 PolarHBondContact O-N 3.32Å; D297-L301 PolarHBondContact O-N 3.25Å
298	D	98.3	Very high	97.8	Very high	38 Å²	38	31.6 Å²	31.6	20%	0.203	17%	0.17	C	C	.	.	H	α-helix	trans	-68.7	-40	175.5	-57.8	-56.8	0	0	0	110.8	Y265 G295 L300 L301 L302 L342	Y265-D298 WeakPolarHBondContact CE2-OD1 3.34Å; Y265-D298 PolarHBondContact OH-OD1 3.44Å; Y265-D298 PolarHBondContact OH-OD2 3.04Å; G295-D298 PolarHBondContact O-N 3.44Å; D298-L300 VanDerWaalsContact C-N 3.34Å; D298-L301 PolarHBondContact O-N 3.25Å; D298-L302 WeakPolarHBondContact O-CG 3.47Å; D298-L302 PolarHBondContact O-N 2.75Å; D298-L302 VanDerWaalsContact O-N 3.08Å; D298-L342 HydrophobicContact CB-CD1 3.81Å; D298-L342 HydrophobicContact CB-CD2 4.01Å
299	D	98.6	Very high	97.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-42.7	172.9	-162.1	-55.3	0	0	0	110.6	Y290 G295 L301 L302 R303 L342 S345 R348	Y290-D299 HydrophobicContact CE2-CB 3.63Å; Y290-D299 VanDerWaalsContact CE2-OD2 3.22Å; Y290-D299 WeakPolarHBondContact CE2-OD2 3.49Å; Y290-D299 WeakPolarHBondContact OH-CB 3.36Å; Y290-D299 PolarHBondContact OH-OD2 2.86Å; G295-D299 PolarHBondContact O-N 3.25Å; D299-L301 VanDerWaalsContact C-N 3.33Å; D299-L301 PolarHBondContact O-N 3.12Å; D299-L302 PolarHBondContact O-N 3.31Å; D299-R303 VanDerWaalsContact O-CG 3.3Å; D299-R303 WeakPolarHBondContact O-CG 3.35Å; D299-R303 PolarHBondContact O-N 3.28Å; D299-R303 VanDerWaalsContact O-N 3.11Å; D299-R303 IonicContact OD1-CZ 3.51Å; D299-R303 IonicContact OD1-NE 2.71Å; D299-R303 PolarHBondContact OD1-NE 3.1Å; D299-R303 IonicContact OD1-NH2 3.29Å; D299-R303 PolarHBondContact OD1-NH2 3.39Å; D299-L342 HydrophobicContact CB-CD1 4.06Å; D299-S345 VanDerWaalsContact CG-CB 3.45Å; D299-S345 WeakPolarHBondContact OD1-CB 3.44Å; D299-S345 PolarHBondContact OD1-OG 3.43Å; D299-S345 VanDerWaalsContact OD2-CB 3.26Å; D299-S345 WeakPolarHBondContact OD2-CB 3.18Å; D299-S345 PolarHBondContact OD2-OG 3.22Å; D299-R348 IonicContact OD2-NH2 2.69Å; D299-R348 PolarHBondContact OD2-NH2 2.95Å
300	L	98.7	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-45.6	174.8	-172.8	75.7	0	0	0	111.8	F269 V273 F275 I283 F286 E296 D297 D298 L302 R303 V304	F269-L300 HydrophobicContact CD1-CD2 3.86Å; F269-L300 HydrophobicContact CD1-CG 4.35Å; F269-L300 HydrophobicContact CE1-CD2 3.72Å; F269-L300 HydrophobicContact CE1-CG 4.28Å; V273-L300 HydrophobicContact CG2-CD2 4.25Å; F275-L300 HydrophobicContact CE2-CD2 3.97Å; F275-L300 HydrophobicContact CZ-CD1 4.29Å; F275-L300 HydrophobicContact CZ-CD2 3.9Å; F275-L300 HydrophobicContact CZ-CG 4.16Å; I283-L300 HydrophobicContact CD1-CD1 3.52Å; I283-L300 HydrophobicContact CD1-CG 4.37Å; F286-L300 HydrophobicContact CD1-CB 3.95Å; F286-L300 HydrophobicContact CD1-CD1 3.97Å; F286-L300 HydrophobicContact CD1-CD2 4.32Å; F286-L300 HydrophobicContact CD1-CG 4.3Å; F286-L300 HydrophobicContact CD2-CD1 3.92Å; F286-L300 HydrophobicContact CE1-CB 3.82Å; F286-L300 HydrophobicContact CE1-CD1 4.12Å; F286-L300 HydrophobicContact CE1-CD2 3.62Å; F286-L300 HydrophobicContact CE1-CG 4.06Å; F286-L300 HydrophobicContact CE2-CD1 4.03Å; F286-L300 HydrophobicContact CE2-CD2 3.86Å; F286-L300 HydrophobicContact CG-CD1 3.88Å; F286-L300 HydrophobicContact CZ-CB 4.44Å; F286-L300 HydrophobicContact CZ-CD1 4.16Å; F286-L300 HydrophobicContact CZ-CD2 3.36Å; F286-L300 HydrophobicContact CZ-CG 4.19Å; E296-L300 PolarHBondContact O-N 3.25Å; D297-L300 WeakPolarHBondContact O-CB 3.27Å; D297-L300 PolarHBondContact O-N 3.32Å; D298-L300 VanDerWaalsContact C-N 3.34Å; L300-L302 PolarHBondContact O-N 2.63Å; L300-R303 WeakPolarHBondContact O-CB 3.42Å; L300-R303 PolarHBondContact O-N 2.85Å; L300-R303 VanDerWaalsContact O-N 3.15Å; L300-V304 WeakPolarHBondContact O-CG2 3.43Å; L300-V304 PolarHBondContact O-N 2.99Å
301	L	98.4	Very high	97.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-40.8	178.2	178.9	61.1	0	0	0	112.2	R267 F269 D297 D298 D299 R303 V304 E305 L311	R267-L301 HydrophobicContact CB-CD2 3.78Å; R267-L301 HydrophobicContact CG-CD2 4.47Å; R267-L301 WeakPolarHBondContact O-CD2 3.48Å; F269-L301 HydrophobicContact CB-CB 3.91Å; F269-L301 HydrophobicContact CB-CD1 4.33Å; F269-L301 HydrophobicContact CB-CD2 4.22Å; F269-L301 HydrophobicContact CB-CG 4.38Å; F269-L301 HydrophobicContact CD1-CB 4.21Å; F269-L301 HydrophobicContact CD1-CD1 4.46Å; F269-L301 HydrophobicContact CD2-CD1 4.5Å; F269-L301 HydrophobicContact CG-CB 4.27Å; F269-L301 HydrophobicContact CG-CD1 4.19Å; D297-L301 PolarHBondContact O-N 3.25Å; D298-L301 PolarHBondContact O-N 3.25Å; D299-L301 VanDerWaalsContact C-N 3.33Å; D299-L301 PolarHBondContact O-N 3.12Å; L301-R303 PolarHBondContact O-N 2.81Å; L301-V304 HydrophobicContact CD1-CB 4.41Å; L301-V304 WeakPolarHBondContact O-CB 3.23Å; L301-V304 PolarHBondContact O-N 3.38Å; L301-V304 VanDerWaalsContact O-N 3.15Å; L301-E305 HydrophobicContact CD1-CG 4.39Å; L301-E305 PolarHBondContact O-N 2.85Å; L301-L311 HydrophobicContact CD1-CB 3.97Å; L301-L311 HydrophobicContact CD1-CD1 4.11Å; L301-L311 HydrophobicContact CD1-CD2 4.1Å; L301-L311 HydrophobicContact CD1-CG 4.28Å; L301-L311 HydrophobicContact CD2-CD2 4Å
302	L	98.3	Very high	97.8	Very high	49 Å²	49	37.1 Å²	37.1	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-58.1	-37.8	174.6	-69.8	174.1	0	0	0	111.5	D298 D299 L300 Q306 L342	D298-L302 WeakPolarHBondContact O-CG 3.47Å; D298-L302 PolarHBondContact O-N 2.75Å; D298-L302 VanDerWaalsContact O-N 3.08Å; D299-L302 PolarHBondContact O-N 3.31Å; L300-L302 PolarHBondContact O-N 2.63Å; L302-Q306 WeakPolarHBondContact O-CB 3.44Å; L302-Q306 PolarHBondContact O-N 2.59Å; L302-L342 HydrophobicContact CD1-CD1 3.56Å; L302-L342 HydrophobicContact CD1-CG 4.24Å
303	R	98.3	Very high	97.8	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-69	-37.8	176.9	-62.3	169.1	179.7	-112.7	-7.6	112.9	I283 G285 S287 D299 L300 L301 S307 F349 D352	I283-R303 HydrophobicContact CB-CB 4.11Å; G285-R303 WeakPolarHBondContact O-CD 3.32Å; G285-R303 PolarHBondContact O-NH1 2.98Å; S287-R303 VanDerWaalsContact CB-NH2 3.34Å; D299-R303 VanDerWaalsContact O-CG 3.3Å; D299-R303 WeakPolarHBondContact O-CG 3.35Å; D299-R303 PolarHBondContact O-N 3.28Å; D299-R303 VanDerWaalsContact O-N 3.11Å; D299-R303 IonicContact OD1-CZ 3.51Å; D299-R303 IonicContact OD1-NE 2.71Å; D299-R303 PolarHBondContact OD1-NE 3.1Å; D299-R303 IonicContact OD1-NH2 3.29Å; D299-R303 PolarHBondContact OD1-NH2 3.39Å; L300-R303 WeakPolarHBondContact O-CB 3.42Å; L300-R303 PolarHBondContact O-N 2.85Å; L300-R303 VanDerWaalsContact O-N 3.15Å; L301-R303 PolarHBondContact O-N 2.81Å; R303-S307 VanDerWaalsContact O-CB 3.27Å; R303-S307 WeakPolarHBondContact O-CB 3.2Å; R303-S307 PolarHBondContact O-N 3.22Å; R303-S307 PolarHBondContact O-OG 2.82Å; R303-F349 HydrophobicContact CB-CD2 4.5Å; R303-F349 HydrophobicContact CG-CB 3.73Å; R303-F349 HydrophobicContact CG-CD2 4.28Å; R303-F349 HydrophobicContact CG-CG 4.24Å; R303-D352 VanDerWaalsContact CZ-O 3.3Å; R303-D352 PolarHBondContact NH1-O 3.15Å; R303-D352 PolarHBondContact NH2-O 3.14Å; R303-D352 IonicContact NH2-OD2 3.15Å; R303-D352 PolarHBondContact NH2-OD2 3.1Å
304	V	98.5	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-53.6	173.5	167.4	0	0	0	0	109.8	P249 F269 F275 I283 L300 L301 S307 Y309	P249-V304 HydrophobicContact CB-CG1 4.14Å; P249-V304 HydrophobicContact CB-CG2 4.11Å; P249-V304 HydrophobicContact CG-CG1 3.91Å; P249-V304 HydrophobicContact CG-CG2 4.09Å; F269-V304 HydrophobicContact CE1-CG2 4.12Å; F275-V304 HydrophobicContact CE1-CG2 3.74Å; F275-V304 HydrophobicContact CZ-CG2 3.85Å; I283-V304 HydrophobicContact CD1-CG2 4.32Å; I283-V304 HydrophobicContact CG2-CG2 4.36Å; L300-V304 WeakPolarHBondContact O-CG2 3.43Å; L300-V304 PolarHBondContact O-N 2.99Å; L301-V304 HydrophobicContact CD1-CB 4.41Å; L301-V304 WeakPolarHBondContact O-CB 3.23Å; L301-V304 PolarHBondContact O-N 3.38Å; L301-V304 VanDerWaalsContact O-N 3.15Å; V304-S307 PolarHBondContact O-N 3.31Å; V304-Y309 WeakPolarHBondContact O-CB 3.34Å; V304-Y309 PolarHBondContact O-N 3.41Å; V304-Y309 VanDerWaalsContact O-N 3.13Å
305	E	98	Very high	97.6	Very high	79 Å²	79	38.6 Å²	38.6	37%	0.369	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-44.8	-179.6	-68.7	172.2	-172.9	0	0	112.2	R267 L301 S307 G308 Y309	R267-E305 IonicContact CZ-OE1 3.81Å; R267-E305 IonicContact CZ-OE2 3.7Å; R267-E305 IonicContact NE-OE1 3.52Å; R267-E305 IonicContact NH2-OE1 2.78Å; R267-E305 PolarHBondContact NH2-OE1 3.2Å; R267-E305 IonicContact NH2-OE2 3.22Å; R267-E305 PolarHBondContact NH2-OE2 2.95Å; L301-E305 HydrophobicContact CD1-CG 4.39Å; L301-E305 PolarHBondContact O-N 2.85Å; E305-S307 PolarHBondContact O-N 3.04Å; E305-G308 WeakPolarHBondContact O-CA 2.92Å; E305-G308 PolarHBondContact O-N 3.22Å; E305-Y309 WeakPolarHBondContact CA-O 3.33Å
306	Q	96.7	Very high	97.3	Very high	93 Å²	93	42.2 Å²	42.2	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-24.3	178.8	-170.4	68.4	-20.4	0	0	113	L302 G308 E346 F349	L302-Q306 WeakPolarHBondContact O-CB 3.44Å; L302-Q306 PolarHBondContact O-N 2.59Å; Q306-G308 PolarHBondContact O-N 3.05Å; Q306-E346 HydrophobicContact CG-CG 4.45Å; Q306-E346 PolarHBondContact NE2-OE1 2.78Å; Q306-F349 HydrophobicContact CB-CZ 4.48Å; Q306-F349 HydrophobicContact CG-CD1 4.31Å; Q306-F349 HydrophobicContact CG-CE1 3.56Å; Q306-F349 HydrophobicContact CG-CZ 3.76Å
307	S	97.7	Very high	96.9	Very high	12 Å²	12	48.2 Å²	48.2	8%	0.084	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	6.3	174.9	-58	0	0	0	0	113.1	K282 I283 R303 V304 E305	K282-S307 VanDerWaalsContact CE-O 3.24Å; K282-S307 WeakPolarHBondContact CE-O 3.44Å; K282-S307 PolarHBondContact NZ-O 3.45Å; I283-S307 WeakPolarHBondContact CG2-OG 3.27Å; R303-S307 VanDerWaalsContact O-CB 3.27Å; R303-S307 WeakPolarHBondContact O-CB 3.2Å; R303-S307 PolarHBondContact O-N 3.22Å; R303-S307 PolarHBondContact O-OG 2.82Å; V304-S307 PolarHBondContact O-N 3.31Å; E305-S307 PolarHBondContact O-N 3.04Å
308	G	97.9	Very high	96.6	Very high	65 Å²	65	49.1 Å²	49.1	67%	0.67	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	19.7	176.8	0	0	0	0	0	114.3	E305 Q306	E305-G308 WeakPolarHBondContact O-CA 2.92Å; E305-G308 PolarHBondContact O-N 3.22Å; Q306-G308 PolarHBondContact O-N 3.05Å
309	Y	98.5	Very high	96.3	Very high	39 Å²	39	47.3 Å²	47.3	15%	0.153	26%	0.255	C	S	.	.			trans	-98.8	152.7	171.8	-61.9	-65	0	0	0	110.7	P249 Q279 K282 I283 V304 E305	P249-Y309 HydrophobicContact CG-CD2 4.39Å; P249-Y309 HydrophobicContact CG-CG 4.34Å; Q279-Y309 HydrophobicContact CB-CE2 4.15Å; Q279-Y309 HydrophobicContact CG-CD1 4.42Å; Q279-Y309 HydrophobicContact CG-CE1 3.82Å; Q279-Y309 HydrophobicContact CG-CE2 4Å; K282-Y309 HydrophobicContact CB-CE2 4.3Å; K282-Y309 HydrophobicContact CD-CE2 3.64Å; K282-Y309 VanDerWaalsContact CD-OH 3.27Å; K282-Y309 WeakPolarHBondContact CD-OH 3.35Å; K282-Y309 HydrophobicContact CG-CE2 4.41Å; I283-Y309 HydrophobicContact CG2-CD2 4.16Å; I283-Y309 HydrophobicContact CG2-CE2 4.3Å; V304-Y309 WeakPolarHBondContact O-CB 3.34Å; V304-Y309 PolarHBondContact O-N 3.41Å; V304-Y309 VanDerWaalsContact O-N 3.13Å; E305-Y309 WeakPolarHBondContact CA-O 3.33Å
310	N	97.7	Very high	96.2	Very high	116 Å²	116	51.2 Å²	51.2	62%	0.62	27%	0.27	S	S	*	.			trans	-93.7	150.9	172.7	-65.1	-38.6	0	0	0	110.4	N248 S312	N248-N310 WeakPolarHBondContact CB-O 3.05Å; N248-N310 PolarHBondContact OD1-N 2.86Å; N310-S312 PolarHBondContact O-N 3.41Å; N310-S312 VanDerWaalsContact O-N 3.14Å
311	L	97	Very high	96.1	Very high	49 Å²	49	51.2 Å²	51.2	26%	0.257	27%	0.27	S	S	.	.			trans	-64	111.6	164.9	175	49.4	0	0	0	110	F269 L301 R313	F269-L311 HydrophobicContact CD2-CD1 3.19Å; F269-L311 HydrophobicContact CE2-CD1 3.54Å; F269-L311 HydrophobicContact CG-CD1 4.17Å; L301-L311 HydrophobicContact CD1-CB 3.97Å; L301-L311 HydrophobicContact CD1-CD1 4.11Å; L301-L311 HydrophobicContact CD1-CD2 4.1Å; L301-L311 HydrophobicContact CD1-CG 4.28Å; L301-L311 HydrophobicContact CD2-CD2 4Å; L311-R313 VanDerWaalsContact CD2-NH2 3.29Å
312	S	97.6	Very high	95.9	Very high	41 Å²	41	55.4 Å²	55.4	29%	0.287	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.7	166.5	174.7	0	0	0	0	109.5	P249 T250 H251 N310	P249-S312 WeakPolarHBondContact O-CB 3.44Å; P249-S312 PolarHBondContact O-N 3.02Å; P249-S312 VanDerWaalsContact O-N 3.1Å; T250-S312 CarbonylContact C-O 3.58Å; T250-S312 VanDerWaalsContact CA-O 3.28Å; T250-S312 WeakPolarHBondContact CA-O 3.47Å; T250-S312 VanDerWaalsContact OG1-CB 3.25Å; T250-S312 WeakPolarHBondContact OG1-CB 3.2Å; T250-S312 PolarHBondContact OG1-OG 3.36Å; H251-S312 PolarHBondContact N-O 3.32Å; N310-S312 PolarHBondContact O-N 3.41Å; N310-S312 VanDerWaalsContact O-N 3.14Å
313	R	97.1	Very high	95.6	Very high	57 Å²	57	53.4 Å²	53.4	22%	0.215	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.1	179.7	-168.7	-175.8	-58.1	-76.9	-9.5	108.3	H251 A254 E266 F268 L311	H251-R313 PolarHBondContact CE1-NH1 3.2Å; H251-R313 VanDerWaalsContact CE1-NH1 3.34Å; H251-R313 PolarHBondContact ND1-NH1 2.98Å; A254-R313 HydrophobicContact CB-CG 3.7Å; E266-R313 PolarHBondContact O-NH2 3.47Å; F268-R313 VanDerWaalsContact O-CZ 3.31Å; F268-R313 PolarHBondContact O-NH1 3.05Å; F268-R313 PolarHBondContact O-NH2 3.42Å; L311-R313 VanDerWaalsContact CD2-NH2 3.29Å
314	I	94.7	Very high	95.2	Very high	34 Å²	34	54.3 Å²	54.3	17%	0.174	28%	0.282	C	S	.	.			trans	-63.2	151.9	172	-166.3	169.4	0	0	0	109.7	I241 H251 L252 A254 E316 I318 G319	I241-I314 HydrophobicContact CB-CD1 4.37Å; I241-I314 HydrophobicContact CG1-CD1 4.19Å; I241-I314 HydrophobicContact CG2-CD1 4.31Å; H251-I314 PolarHBondContact O-N 3.37Å; H251-I314 VanDerWaalsContact O-N 3.15Å; L252-I314 WeakPolarHBondContact O-CG2 3.42Å; A254-I314 HydrophobicContact CB-CG2 4.18Å; I314-E316 PolarHBondContact O-N 2.93Å; I314-I318 HydrophobicContact CD1-CB 4.33Å; I314-I318 HydrophobicContact CD1-CG2 3.73Å; I314-I318 HydrophobicContact CG1-CB 4.37Å; I314-I318 HydrophobicContact CG1-CG2 4.29Å; I314-G319 VanDerWaalsContact CG2-CA 3.42Å
315	N	92.9	Very high	94.7	Very high	93 Å²	93	59.3 Å²	59.3	50%	0.497	32%	0.316	S	S	.	.			trans	-52.9	129.6	175.9	-175.5	-54.7	0	0	0	110.5	L317 I318 G319	N315-L317 PolarHBondContact O-N 3.34Å; N315-L317 VanDerWaalsContact O-N 3.16Å; N315-L317 VanDerWaalsContact OD1-CB 3.29Å; N315-L317 WeakPolarHBondContact OD1-CB 3.1Å; N315-L317 PolarHBondContact OD1-N 3.35Å; N315-I318 HydrophobicContact CB-CD1 4.38Å; N315-I318 HydrophobicContact CB-CG1 4.44Å; N315-I318 CarbonylContact O-C 3.58Å; N315-I318 WeakPolarHBondContact O-CA 3.38Å; N315-I318 PolarHBondContact O-N 2.9Å; N315-G319 PolarHBondContact O-N 3.4Å
316	E	91.9	Very high	94.1	Very high	86 Å²	86	59.6 Å²	59.6	40%	0.402	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.9	-177	-70	-178.8	-144.6	0	0	113.8	A254 S255 I314 I318	A254-E316 HydrophobicContact CB-CG 4.25Å; S255-E316 WeakPolarHBondContact OG-CA 3.3Å; S255-E316 WeakPolarHBondContact OG-CB 3.23Å; S255-E316 PolarHBondContact OG-O 2.71Å; I314-E316 PolarHBondContact O-N 2.93Å; E316-I318 VanDerWaalsContact C-N 3.28Å; E316-I318 PolarHBondContact O-N 3.5Å
317	L	90.2	Very high	93.8	Very high	138 Å²	138	62.2 Å²	62.2	72%	0.723	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-24.3	174.6	-60.1	176.6	0	0	0	112.9	N315	N315-L317 PolarHBondContact O-N 3.34Å; N315-L317 VanDerWaalsContact O-N 3.16Å; N315-L317 VanDerWaalsContact OD1-CB 3.29Å; N315-L317 WeakPolarHBondContact OD1-CB 3.1Å; N315-L317 PolarHBondContact OD1-N 3.35Å
318	I	91.1	Very high	93.4	Very high	39 Å²	39	67.2 Å²	67.2	20%	0.2	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-43.3	179.1	-60.5	176.5	0	0	0	110.7	D238 R240 I241 I314 N315 E316 R320	D238-I318 HydrophobicContact CB-CG2 4.49Å; R240-I318 HydrophobicContact CB-CG2 3.78Å; I241-I318 VanDerWaalsContact CD1-O 3.29Å; I241-I318 WeakPolarHBondContact CD1-O 3.31Å; I241-I318 HydrophobicContact CG1-CG2 3.98Å; I241-I318 VanDerWaalsContact CG1-O 3.24Å; I241-I318 WeakPolarHBondContact CG1-O 3.44Å; I314-I318 HydrophobicContact CD1-CB 4.33Å; I314-I318 HydrophobicContact CD1-CG2 3.73Å; I314-I318 HydrophobicContact CG1-CB 4.37Å; I314-I318 HydrophobicContact CG1-CG2 4.29Å; N315-I318 HydrophobicContact CB-CD1 4.38Å; N315-I318 HydrophobicContact CB-CG1 4.44Å; N315-I318 CarbonylContact O-C 3.58Å; N315-I318 WeakPolarHBondContact O-CA 3.38Å; N315-I318 PolarHBondContact O-N 2.9Å; E316-I318 VanDerWaalsContact C-N 3.28Å; E316-I318 PolarHBondContact O-N 3.5Å; I318-R320 PolarHBondContact O-N 2.91Å
319	G	93.3	Very high	93.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.343	C	S	.	.			trans	-72.1	39.1	-175.9	0	0	0	0	0	115.2	L252 A254 S255 I314 N315	L252-G319 WeakPolarHBondContact O-CA 3.38Å; A254-G319 PolarHBondContact N-O 2.75Å; S255-G319 PolarHBondContact N-O 2.72Å; I314-G319 VanDerWaalsContact CG2-CA 3.42Å; N315-G319 PolarHBondContact O-N 3.4Å
320	R	95.2	Very high	92.8	Very high	83 Å²	83	71.5 Å²	71.5	31%	0.313	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128	-179.5	-66.6	176.2	58.4	96.4	0.5	110.3	E237 I241 S255 Y261 I318	E237-R320 HydrophobicContact CB-CB 4.16Å; E237-R320 PolarHBondContact N-O 3.05Å; E237-R320 IonicContact OE2-CZ 2.65Å; E237-R320 IonicContact OE2-NE 3.21Å; E237-R320 PolarHBondContact OE2-NE 3.3Å; E237-R320 IonicContact OE2-NH2 3.86Å; E237-R320 PolarHBondContact OE2-NH2 3.24Å; I241-R320 WeakPolarHBondContact CD1-O 3.49Å; S255-R320 CarbonylContact O-C 3.59Å; S255-R320 WeakPolarHBondContact O-CA 3.34Å; Y261-R320 HydrophobicContact CD1-CB 3.97Å; Y261-R320 HydrophobicContact CD1-CG 3.93Å; Y261-R320 HydrophobicContact CE1-CB 4.06Å; Y261-R320 HydrophobicContact CE1-CG 4.43Å; Y261-R320 VanDerWaalsContact CE1-NH2 3.28Å; Y261-R320 VanDerWaalsContact CG-CZ 3.41Å; I318-R320 PolarHBondContact O-N 2.91Å
321	Y	97.5	Very high	92.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.8	176.2	-83.4	-107.1	0	0	0	110.4	K234 L235 P236 I241 Y243 L252 S253 S255 L256 S257 V272	K234-Y321 HydrophobicContact CB-CD1 3.82Å; K234-Y321 HydrophobicContact CB-CE1 4.47Å; L235-Y321 VanDerWaalsContact C-CD1 3.44Å; L235-Y321 CarbonylContact O-C 3.47Å; L235-Y321 WeakPolarHBondContact O-CA 3.46Å; P236-Y321 HydrophobicContact CB-CD1 4.2Å; P236-Y321 HydrophobicContact CB-CE1 3.69Å; P236-Y321 HydrophobicContact CB-CE2 4.33Å; P236-Y321 HydrophobicContact CG-CE1 4.19Å; I241-Y321 HydrophobicContact CD1-CD2 4.17Å; I241-Y321 HydrophobicContact CD1-CE2 3.76Å; I241-Y321 HydrophobicContact CG2-CE2 4.01Å; I241-Y321 WeakPolarHBondContact CG2-OH 3.14Å; Y243-Y321 WeakPolarHBondContact CE2-OH 3.5Å; Y243-Y321 WeakPolarHBondContact OH-CE1 3.34Å; Y243-Y321 PolarHBondContact OH-OH 3Å; L252-Y321 HydrophobicContact CB-CE2 4.06Å; L252-Y321 WeakPolarHBondContact O-CE2 3.3Å; S253-Y321 VanDerWaalsContact CA-CD2 3.47Å; S255-Y321 PolarHBondContact O-N 2.76Å; L256-Y321 WeakPolarHBondContact CA-O 3.46Å; S257-Y321 PolarHBondContact N-O 3.47Å; V272-Y321 HydrophobicContact CB-CE1 4.26Å; V272-Y321 HydrophobicContact CG2-CD1 4.2Å; V272-Y321 HydrophobicContact CG2-CE1 3.68Å
322	Y	93.9	Very high	92.7	Very high	90 Å²	90	66.8 Å²	66.8	35%	0.353	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.2	168.3	-171.7	-99.5	0	0	0	109.2	L235 E237 L324	L235-Y322 HydrophobicContact CD1-CD1 4.42Å; L235-Y322 PolarHBondContact N-O 2.97Å; L235-Y322 PolarHBondContact O-N 3.02Å; E237-Y322 WeakPolarHBondContact OE1-CA 3.36Å; E237-Y322 WeakPolarHBondContact OE1-CB 3.33Å; E237-Y322 PolarHBondContact OE1-N 3.47Å; E237-Y322 VanDerWaalsContact OE1-N 3.16Å; Y322-L324 HydrophobicContact CD1-CD2 4.07Å; Y322-L324 HydrophobicContact CE1-CD2 3.95Å
323	A	92.1	Very high	92.7	Very high	7 Å²	7	68.5 Å²	68.5	6%	0.058	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.6	172.1	0	0	0	0	0	110	D233 K234 S257 T258 S325	D233-A323 CarbonylContact O-C 3.52Å; D233-A323 WeakPolarHBondContact O-CA 3.4Å; K234-A323 HydrophobicContact CD-CB 3.92Å; S257-A323 PolarHBondContact OG-N 2.84Å; T258-A323 VanDerWaalsContact OG1-CB 3.29Å; T258-A323 WeakPolarHBondContact OG1-CB 3.38Å; A323-S325 PolarHBondContact O-N 2.85Å
324	L	89.4	Confident	92.7	Very high	20 Å²	20	71.8 Å²	71.8	11%	0.105	36%	0.364	C	S	.	.			trans	-64	119.7	176.3	-69.1	175.5	0	0	0	110.1	H173 V176 D233 L235 Y322	H173-L324 HydrophobicContact CB-CD1 4.18Å; V176-L324 HydrophobicContact CB-CD1 4.12Å; V176-L324 HydrophobicContact CG1-CD1 4.04Å; V176-L324 HydrophobicContact CG1-CD2 4.23Å; D233-L324 HydrophobicContact CB-CB 4.17Å; D233-L324 PolarHBondContact O-N 3.04Å; L235-L324 HydrophobicContact CD1-CD1 4.39Å; L235-L324 HydrophobicContact CD1-CD2 3.88Å; L235-L324 HydrophobicContact CD1-CG 4.13Å; L235-L324 HydrophobicContact CD2-CD1 4.35Å; L235-L324 HydrophobicContact CG-CD1 4.37Å; L235-L324 HydrophobicContact CG-CD2 4.48Å; L235-L324 HydrophobicContact CG-CG 4.2Å; Y322-L324 HydrophobicContact CD1-CD2 4.07Å; Y322-L324 HydrophobicContact CE1-CD2 3.95Å
325	S	88.8	Confident	92.8	Very high	104 Å²	104	70.8 Å²	70.8	73%	0.727	36%	0.359	S	S	*	.			trans	-57.3	142.9	179.9	58.4	0	0	0	0	112.4	H173 A323	H173-S325 PolarHBondContact NE2-O 2.66Å; A323-S325 PolarHBondContact O-N 2.85Å
326	H	85.9	Confident	93	Very high	86 Å²	86	70.9 Å²	70.9	40%	0.398	37%	0.365	S	S	.	.			trans	-155.7	157.3	174	64.2	84.1	0	0	0	111.1	R170 D233	R170-H326 VanDerWaalsContact NH1-CB 3.34Å; R170-H326 PolarHBondContact NH1-CD2 2.84Å; R170-H326 PolarHBondContact NH2-CD2 2.74Å; R170-H326 VanDerWaalsContact NH2-CD2 3.27Å; R170-H326 PolarHBondContact NH2-CE1 2.86Å; R170-H326 PolarHBondContact NH2-ND1 2.97Å; R170-H326 PolarHBondContact NH2-NE2 3.17Å; R170-H326 VanDerWaalsContact NH2-NE2 3.14Å; D233-H326 IonicContact OD2-CD2 3.35Å; D233-H326 IonicContact OD2-NE2 3.72Å
327	N	89.5	Confident	93.3	Very high	147 Å²	147	71 Å²	71	79%	0.786	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-76.1	165.2	167.1	-64.7	-30.6	0	0	0	110.2	D329	N327-D329 PolarHBondContact O-N 2.79Å
328	T	88.7	Confident	93.7	Very high	118 Å²	118	65.7 Å²	65.7	72%	0.724	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-53.8	128.3	169.2	-53.3	0	0	0	0	110
329	D	91.5	Very high	94	Very high	41 Å²	41	69.9 Å²	69.9	22%	0.219	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-79.6	141.3	177.3	-46	-73.2	0	0	0	110.9	R170 N327 L331 N332	R170-D329 IonicContact CZ-OD1 3.31Å; R170-D329 VanDerWaalsContact CZ-OD1 3.29Å; R170-D329 IonicContact CZ-OD2 3.93Å; R170-D329 IonicContact NE-OD1 2.68Å; R170-D329 PolarHBondContact NE-OD1 3.32Å; R170-D329 IonicContact NE-OD2 3.47Å; R170-D329 VanDerWaalsContact NH2-CG 3.28Å; R170-D329 IonicContact NH2-OD1 3.09Å; R170-D329 PolarHBondContact NH2-OD1 2.9Å; R170-D329 VanDerWaalsContact NH2-OD1 3.15Å; R170-D329 IonicContact NH2-OD2 3.88Å; R170-D329 PolarHBondContact NH2-OD2 2.6Å; N327-D329 PolarHBondContact O-N 2.79Å; D329-L331 PolarHBondContact O-N 2.9Å; D329-N332 HydrophobicContact CB-CB 3.87Å; D329-N332 PolarHBondContact O-N 3.22Å; D329-N332 VanDerWaalsContact O-N 3.13Å; D329-N332 PolarHBondContact OD2-ND2 2.79Å
330	E	93.5	Very high	94.2	Very high	152 Å²	152	76.4 Å²	76.4	71%	0.71	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	139.7	165.6	-65.4	177.8	174.7	0	0	110.3	R168 N332	R168-E330 PolarHBondContact NH2-O 3.13Å; E330-N332 PolarHBondContact O-N 3.08Å
331	L	96.1	Very high	94.3	Very high	40 Å²	40	73.8 Å²	73.8	21%	0.209	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	20.1	-179.2	-58	170.8	0	0	0	113	R168 E202 K204 F205 D329 E333	R168-L331 PolarHBondContact NH2-O 3.44Å; E202-L331 HydrophobicContact CB-CD1 4.47Å; E202-L331 WeakPolarHBondContact O-CD1 3.46Å; K204-L331 CarbonylContact C-O 3.59Å; K204-L331 VanDerWaalsContact CA-O 3.23Å; K204-L331 WeakPolarHBondContact CA-O 3.44Å; F205-L331 PolarHBondContact N-O 3.48Å; D329-L331 PolarHBondContact O-N 2.9Å; L331-E333 WeakPolarHBondContact CA-OE1 3.18Å; L331-E333 PolarHBondContact N-OE1 3.04Å
332	N	96.6	Very high	94.4	Very high	26 Å²	26	75.8 Å²	75.8	14%	0.139	38%	0.384	C	S	.	.			trans	-130.2	32.1	173	-162.9	26.3	0	0	0	111	F205 W293 D329 E330	F205-N332 HydrophobicContact CB-CB 4.28Å; W293-N332 WeakPolarHBondContact CB-O 3.41Å; D329-N332 HydrophobicContact CB-CB 3.87Å; D329-N332 PolarHBondContact O-N 3.22Å; D329-N332 VanDerWaalsContact O-N 3.13Å; D329-N332 PolarHBondContact OD2-ND2 2.79Å; E330-N332 PolarHBondContact O-N 3.08Å
333	E	96.5	Very high	94.5	Very high	77 Å²	77	80.4 Å²	80.4	36%	0.36	41%	0.405	S	S	.	.			trans	-66.7	155.4	-179.2	-49.7	79.1	-170.8	0	0	110.6	K204 G292 W293 L331 N335	K204-E333 WeakPolarHBondContact CE-OE2 3.42Å; G292-E333 WeakPolarHBondContact CA-O 3.34Å; W293-E333 PolarHBondContact N-O 3.3Å; L331-E333 WeakPolarHBondContact CA-OE1 3.18Å; L331-E333 PolarHBondContact N-OE1 3.04Å; E333-N335 PolarHBondContact O-N 3.15Å; E333-N335 VanDerWaalsContact O-N 3.11Å
334	K	97.3	Very high	94.8	Very high	126 Å²	126	82.7 Å²	82.7	55%	0.548	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-53.3	118.1	177.3	-179.6	169.6	-179.1	176.6	0	111	W293 P336	W293-K334 HydrophobicContact CE3-CB 4.12Å; W293-K334 HydrophobicContact CE3-CD 4.35Å; W293-K334 HydrophobicContact CE3-CG 3.95Å; W293-K334 HydrophobicContact CZ3-CD 4.15Å; W293-K334 HydrophobicContact CZ3-CG 4.2Å; W293-K334 WeakPolarHBondContact O-CA 3.29Å; K334-P336 VanDerWaalsContact O-CD 3.29Å; K334-P336 WeakPolarHBondContact O-CD 3.46Å
335	N	97.4	Very high	95.2	Very high	14 Å²	14	81.8 Å²	81.8	8%	0.075	41%	0.414	C	S	.	.			trans	-69.2	114	-177.5	-179.2	-19	0	0	0	110	E291 W293 E333 E337 R338	E291-N335 WeakPolarHBondContact O-CB 3.21Å; E291-N335 PolarHBondContact O-ND2 3.03Å; W293-N335 PolarHBondContact O-N 2.91Å; E333-N335 PolarHBondContact O-N 3.15Å; E333-N335 VanDerWaalsContact O-N 3.11Å; N335-E337 VanDerWaalsContact C-N 3.26Å; N335-E337 PolarHBondContact O-N 3.27Å; N335-E337 PolarHBondContact OD1-N 2.78Å; N335-R338 HydrophobicContact CB-CB 4.19Å; N335-R338 VanDerWaalsContact O-CD 3.3Å; N335-R338 WeakPolarHBondContact O-CD 3.5Å; N335-R338 VanDerWaalsContact O-CG 3.23Å; N335-R338 WeakPolarHBondContact O-CG 3.37Å; N335-R338 PolarHBondContact O-N 3.02Å; N335-R338 PolarHBondContact O-NH1 3.15Å; N335-R338 PolarHBondContact OD1-N 3.37Å
336	P	97.5	Very high	95.5	Very high	95 Å²	95	83 Å²	83	62%	0.617	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.3	-177.5	26.8	-33.8	0	0	0	112.8	K334	K334-P336 VanDerWaalsContact O-CD 3.29Å; K334-P336 WeakPolarHBondContact O-CD 3.46Å
337	E	97.3	Very high	96	Very high	87 Å²	87	83.4 Å²	83.4	41%	0.407	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-4	-176.7	-62.3	-62.9	105.2	0	0	113.1	N335 F339 K340 L341	N335-E337 VanDerWaalsContact C-N 3.26Å; N335-E337 PolarHBondContact O-N 3.27Å; N335-E337 PolarHBondContact OD1-N 2.78Å; E337-F339 VanDerWaalsContact C-N 3.26Å; E337-F339 PolarHBondContact O-N 3.11Å; E337-F339 VanDerWaalsContact O-N 3.1Å; E337-K340 WeakPolarHBondContact O-CA 3.27Å; E337-K340 WeakPolarHBondContact O-CB 3.27Å; E337-K340 PolarHBondContact O-N 3.36Å; E337-K340 WeakPolarHBondContact OE2-CD 3.34Å; E337-K340 IonicContact OE2-NZ 2.95Å; E337-K340 PolarHBondContact OE2-NZ 2.68Å; E337-L341 HydrophobicContact CB-CG 4.47Å; E337-L341 WeakPolarHBondContact O-CG 3.35Å; E337-L341 PolarHBondContact O-N 3.08Å
338	R	97.9	Very high	96.3	Very high	28 Å²	28	78 Å²	78	11%	0.106	39%	0.39	C	S	.	.	H	α-helix	trans	-52.5	-38.5	-173	68.4	-167	-179.1	-68.1	-16.6	114.5	Y290 G294 N335 L341 L342	Y290-R338 HydrophobicContact CD1-CB 4.34Å; Y290-R338 HydrophobicContact CE1-CB 4.21Å; G294-R338 WeakPolarHBondContact O-CB 3.41Å; N335-R338 HydrophobicContact CB-CB 4.19Å; N335-R338 VanDerWaalsContact O-CD 3.3Å; N335-R338 WeakPolarHBondContact O-CD 3.5Å; N335-R338 VanDerWaalsContact O-CG 3.23Å; N335-R338 WeakPolarHBondContact O-CG 3.37Å; N335-R338 PolarHBondContact O-N 3.02Å; N335-R338 PolarHBondContact O-NH1 3.15Å; N335-R338 PolarHBondContact OD1-N 3.37Å; R338-L341 PolarHBondContact O-N 3.42Å; R338-L342 WeakPolarHBondContact O-CB 3.39Å; R338-L342 PolarHBondContact O-N 2.91Å
339	F	98.1	Very high	96.6	Very high	127 Å²	127	73.3 Å²	73.3	56%	0.557	36%	0.359	S	S	*	.	H	α-helix	trans	-73	-33.7	178.2	-63.2	-54.2	0	0	0	112.7	E337 K343	E337-F339 VanDerWaalsContact C-N 3.26Å; E337-F339 PolarHBondContact O-N 3.11Å; E337-F339 VanDerWaalsContact O-N 3.1Å; F339-K343 WeakPolarHBondContact O-CG 3.48Å; F339-K343 PolarHBondContact O-N 3.45Å
340	K	98	Very high	96.8	Very high	136 Å²	136	79 Å²	79	59%	0.591	38%	0.382	S	S	*	.	H	α-helix	trans	-69.7	-40.1	174.1	-178.2	-169.4	178.9	179.5	0	110.5	E337	E337-K340 WeakPolarHBondContact O-CA 3.27Å; E337-K340 WeakPolarHBondContact O-CB 3.27Å; E337-K340 PolarHBondContact O-N 3.36Å; E337-K340 WeakPolarHBondContact OE2-CD 3.34Å; E337-K340 IonicContact OE2-NZ 2.95Å; E337-K340 PolarHBondContact OE2-NZ 2.68Å
341	L	97.9	Very high	97	Very high	29 Å²	29	75.7 Å²	75.7	15%	0.152	38%	0.376	C	S	.	.	H	α-helix	trans	-59.3	-51.7	172.2	-65.1	175.6	0	0	0	109.9	L289 Y290 E337 R338 K343 T344 S345 R348	L289-L341 HydrophobicContact CB-CD1 4.37Å; L289-L341 HydrophobicContact CB-CD2 4.2Å; L289-L341 HydrophobicContact CD1-CD2 4.42Å; L289-L341 WeakPolarHBondContact O-CD1 3.2Å; Y290-L341 HydrophobicContact CD1-CD1 3.95Å; Y290-L341 HydrophobicContact CE1-CB 3.78Å; Y290-L341 HydrophobicContact CE1-CD1 3.96Å; Y290-L341 HydrophobicContact CE2-CB 4.46Å; Y290-L341 HydrophobicContact CG-CD1 4.33Å; E337-L341 HydrophobicContact CB-CG 4.47Å; E337-L341 WeakPolarHBondContact O-CG 3.35Å; E337-L341 PolarHBondContact O-N 3.08Å; R338-L341 PolarHBondContact O-N 3.42Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 2.87Å; L341-T344 CarbonylContact O-C 3.58Å; L341-T344 WeakPolarHBondContact O-CA 3.44Å; L341-T344 PolarHBondContact O-N 2.91Å; L341-T344 PolarHBondContact O-OG1 2.99Å; L341-S345 PolarHBondContact O-N 2.91Å; L341-R348 PolarHBondContact O-NH1 3.09Å; L341-R348 PolarHBondContact O-NH2 2.53Å
342	L	98	Very high	97.1	Very high	41 Å²	41	74.4 Å²	74.4	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-56.1	-41.8	-177.3	-172.6	63.4	0	0	0	113	Y290 D298 D299 L302 R338 T344 S345	Y290-L342 WeakPolarHBondContact OH-CA 3.3Å; Y290-L342 PolarHBondContact OH-N 3.27Å; Y290-L342 VanDerWaalsContact OH-N 3.15Å; D298-L342 HydrophobicContact CB-CD1 3.81Å; D298-L342 HydrophobicContact CB-CD2 4.01Å; D299-L342 HydrophobicContact CB-CD1 4.06Å; L302-L342 HydrophobicContact CD1-CD1 3.56Å; L302-L342 HydrophobicContact CD1-CG 4.24Å; R338-L342 WeakPolarHBondContact O-CB 3.39Å; R338-L342 PolarHBondContact O-N 2.91Å; L342-T344 PolarHBondContact O-N 2.9Å; L342-S345 VanDerWaalsContact O-CB 3.31Å; L342-S345 WeakPolarHBondContact O-CB 3.45Å; L342-S345 PolarHBondContact O-N 3.15Å
343	K	97.7	Very high	97.2	Very high	187 Å²	187	73.2 Å²	73.2	81%	0.813	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.2	175.3	-75.3	176.9	-178.4	-174.4	0	114.2	F339 L341	F339-K343 WeakPolarHBondContact O-CG 3.48Å; F339-K343 PolarHBondContact O-N 3.45Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 2.87Å
344	T	97	Very high	97.2	Very high	55 Å²	55	70.3 Å²	70.3	34%	0.337	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	5.3	-179.4	58.5	0	0	0	0	112.8	L341 L342 E346 S347 R348	L341-T344 CarbonylContact O-C 3.58Å; L341-T344 WeakPolarHBondContact O-CA 3.44Å; L341-T344 PolarHBondContact O-N 2.91Å; L341-T344 PolarHBondContact O-OG1 2.99Å; L342-T344 PolarHBondContact O-N 2.9Å; T344-E346 PolarHBondContact O-N 3.02Å; T344-S347 PolarHBondContact O-N 2.71Å; T344-S347 PolarHBondContact O-OG 3.1Å; T344-R348 VanDerWaalsContact C-NE 3.34Å; T344-R348 WeakPolarHBondContact O-CB 3.35Å; T344-R348 WeakPolarHBondContact O-CD 3.37Å; T344-R348 WeakPolarHBondContact O-CG 3.49Å; T344-R348 PolarHBondContact O-N 3.41Å; T344-R348 PolarHBondContact O-NE 3.48Å; T344-R348 VanDerWaalsContact OG1-CD 3.27Å; T344-R348 WeakPolarHBondContact OG1-CD 3.22Å; T344-R348 PolarHBondContact OG1-NE 3.09Å; T344-R348 PolarHBondContact OG1-NH1 3.43Å
345	S	97.4	Very high	97.3	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.007	35%	0.349	C	S	.	.	H	α-helix	trans	-51.7	-51.1	-178.8	174.3	0	0	0	0	112.4	D299 L341 L342 S347 R348 F349	D299-S345 VanDerWaalsContact CG-CB 3.45Å; D299-S345 WeakPolarHBondContact OD1-CB 3.44Å; D299-S345 PolarHBondContact OD1-OG 3.43Å; D299-S345 VanDerWaalsContact OD2-CB 3.26Å; D299-S345 WeakPolarHBondContact OD2-CB 3.18Å; D299-S345 PolarHBondContact OD2-OG 3.22Å; L341-S345 PolarHBondContact O-N 2.91Å; L342-S345 VanDerWaalsContact O-CB 3.31Å; L342-S345 WeakPolarHBondContact O-CB 3.45Å; L342-S345 PolarHBondContact O-N 3.15Å; S345-S347 PolarHBondContact O-N 3.38Å; S345-R348 PolarHBondContact O-N 2.68Å; S345-F349 PolarHBondContact O-N 3.01Å
346	E	95	Very high	97.2	Very high	129 Å²	129	70.9 Å²	70.9	60%	0.603	36%	0.362	S	S	*	.	H	α-helix	trans	-60.9	-38.3	-173.5	-166.5	-174.6	170.8	0	0	113.7	Q306 T344 F349	Q306-E346 HydrophobicContact CG-CG 4.45Å; Q306-E346 PolarHBondContact NE2-OE1 2.78Å; T344-E346 PolarHBondContact O-N 3.02Å; E346-F349 WeakPolarHBondContact O-CD1 3.18Å
347	S	96.3	Very high	97.3	Very high	96 Å²	96	67.4 Å²	67.4	67%	0.671	34%	0.339	S	S	*	.	H	α-helix	trans	-78.8	-22.5	178.8	62.3	0	0	0	0	112.9	T344 S345	T344-S347 PolarHBondContact O-N 2.71Å; T344-S347 PolarHBondContact O-OG 3.1Å; S345-S347 PolarHBondContact O-N 3.38Å
348	R	96.4	Very high	97.2	Very high	33 Å²	33	68.5 Å²	68.5	13%	0.125	34%	0.342	C	S	.	.	H	α-helix	trans	-94.1	-28.8	-173.8	-63.6	176.5	-45.8	171.8	15.2	113.6	D299 L341 T344 S345 K350 S351 D352	D299-R348 IonicContact OD2-NH2 2.69Å; D299-R348 PolarHBondContact OD2-NH2 2.95Å; L341-R348 PolarHBondContact O-NH1 3.09Å; L341-R348 PolarHBondContact O-NH2 2.53Å; T344-R348 VanDerWaalsContact C-NE 3.34Å; T344-R348 WeakPolarHBondContact O-CB 3.35Å; T344-R348 WeakPolarHBondContact O-CD 3.37Å; T344-R348 WeakPolarHBondContact O-CG 3.49Å; T344-R348 PolarHBondContact O-N 3.41Å; T344-R348 PolarHBondContact O-NE 3.48Å; T344-R348 VanDerWaalsContact OG1-CD 3.27Å; T344-R348 WeakPolarHBondContact OG1-CD 3.22Å; T344-R348 PolarHBondContact OG1-NE 3.09Å; T344-R348 PolarHBondContact OG1-NH1 3.43Å; S345-R348 PolarHBondContact O-N 2.68Å; R348-K350 PolarHBondContact O-N 2.78Å; R348-S351 PolarHBondContact O-N 3.14Å; R348-S351 PolarHBondContact O-OG 2.96Å; R348-D352 HydrophobicContact CB-CB 4.23Å; R348-D352 PolarHBondContact O-N 3.08Å
349	F	95.9	Very high	97.2	Very high	19 Å²	19	69.2 Å²	69.2	8%	0.083	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.7	-163.4	91.4	-76.7	0	0	0	114.8	N284 R303 Q306 S345 E346 S351	N284-F349 WeakPolarHBondContact CB-O 3.33Å; N284-F349 PolarHBondContact ND2-O 3.18Å; R303-F349 HydrophobicContact CB-CD2 4.5Å; R303-F349 HydrophobicContact CG-CB 3.73Å; R303-F349 HydrophobicContact CG-CD2 4.28Å; R303-F349 HydrophobicContact CG-CG 4.24Å; Q306-F349 HydrophobicContact CB-CZ 4.48Å; Q306-F349 HydrophobicContact CG-CD1 4.31Å; Q306-F349 HydrophobicContact CG-CE1 3.56Å; Q306-F349 HydrophobicContact CG-CZ 3.76Å; S345-F349 PolarHBondContact O-N 3.01Å; E346-F349 WeakPolarHBondContact O-CD1 3.18Å; F349-S351 VanDerWaalsContact C-N 3.32Å; F349-S351 PolarHBondContact O-N 2.76Å
350	K	96.1	Very high	97.1	Very high	162 Å²	162	66.2 Å²	66.2	70%	0.704	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.7	175.5	-65	-176.3	179.6	176.7	0	113.7	R348 N355	R348-K350 PolarHBondContact O-N 2.78Å; K350-N355 PolarHBondContact O-ND2 2.8Å
351	S	97	Very high	97.1	Very high	82 Å²	82	60.2 Å²	60.2	57%	0.573	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-12	-177.6	58.2	0	0	0	0	114.2	R348 F349 S356	R348-S351 PolarHBondContact O-N 3.14Å; R348-S351 PolarHBondContact O-OG 2.96Å; F349-S351 VanDerWaalsContact C-N 3.32Å; F349-S351 PolarHBondContact O-N 2.76Å; S351-S356 WeakPolarHBondContact O-CB 3.4Å; S351-S356 PolarHBondContact O-OG 3.09Å
352	D	97.5	Very high	96.9	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.07	33%	0.325	C	S	.	.	S	Bend	trans	-116.7	109.3	176.3	167.3	45.3	0	0	0	110	S287 N288 R303 R348 S356	S287-D352 WeakPolarHBondContact CA-OD2 3.47Å; S287-D352 WeakPolarHBondContact CB-OD2 3.28Å; S287-D352 PolarHBondContact OG-OD2 3.18Å; N288-D352 PolarHBondContact N-OD1 3.09Å; R303-D352 VanDerWaalsContact CZ-O 3.3Å; R303-D352 PolarHBondContact NH1-O 3.15Å; R303-D352 PolarHBondContact NH2-O 3.14Å; R303-D352 IonicContact NH2-OD2 3.15Å; R303-D352 PolarHBondContact NH2-OD2 3.1Å; R348-D352 HydrophobicContact CB-CB 4.23Å; R348-D352 PolarHBondContact O-N 3.08Å; D352-S356 VanDerWaalsContact CA-OG 3.31Å; D352-S356 WeakPolarHBondContact CA-OG 3.3Å
353	G	98.2	Very high	96.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	161.5	-141.9	177.9	0	0	0	0	0	113.2	N284 F286 N288 N355 S356 L357	N284-G353 CarbonylContact O-C 3.57Å; N284-G353 VanDerWaalsContact O-CA 3.24Å; N284-G353 WeakPolarHBondContact O-CA 3.33Å; F286-G353 VanDerWaalsContact O-CA 3.3Å; F286-G353 WeakPolarHBondContact O-CA 2.97Å; N288-G353 PolarHBondContact ND2-N 3.48Å; N288-G353 PolarHBondContact ND2-O 3.44Å; G353-N355 PolarHBondContact O-N 3.36Å; G353-S356 PolarHBondContact N-OG 3.08Å; G353-S356 VanDerWaalsContact N-OG 3.08Å; G353-S356 PolarHBondContact O-N 3.42Å; G353-S356 VanDerWaalsContact O-N 3.15Å; G353-L357 WeakPolarHBondContact O-CB 3.24Å; G353-L357 PolarHBondContact O-N 2.9Å; G353-L357 VanDerWaalsContact O-N 3.09Å
354	L	98.3	Very high	96.5	Very high	17 Å²	17	55.3 Å²	55.3	9%	0.089	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-41.3	177.6	-69.8	169.4	0	0	0	112.4	N212 F215 L216 Y280 L281 N284 S356	N212-L354 HydrophobicContact CB-CD2 3.76Å; F215-L354 HydrophobicContact CD1-CD1 4.13Å; F215-L354 HydrophobicContact CD1-CD2 3.8Å; F215-L354 HydrophobicContact CE1-CD1 4.07Å; F215-L354 HydrophobicContact CE1-CD2 4.49Å; L216-L354 HydrophobicContact CD1-CD2 4.25Å; L216-L354 HydrophobicContact CD2-CD2 4.2Å; L216-L354 HydrophobicContact CG-CD2 3.95Å; Y280-L354 HydrophobicContact CD1-CD1 3.89Å; Y280-L354 HydrophobicContact CE1-CD1 4.07Å; Y280-L354 HydrophobicContact CE1-CD2 4.01Å; Y280-L354 HydrophobicContact CE1-CG 4.38Å; L281-L354 HydrophobicContact CD2-CD1 4.3Å; N284-L354 PolarHBondContact O-N 3.22Å; N284-L354 WeakPolarHBondContact OD1-CB 3.24Å; N284-L354 PolarHBondContact OD1-N 3.07Å; N284-L354 VanDerWaalsContact OD1-N 3.09Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 3.06Å
355	N	97.4	Very high	96	Very high	100 Å²	100	56.3 Å²	56.3	54%	0.535	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.9	-175.8	68.2	-5.4	0	0	0	116	N284 K350 G353	N284-N355 PolarHBondContact ND2-OD1 2.92Å; N284-N355 PolarHBondContact OD1-N 3.1Å; N284-N355 VanDerWaalsContact OD1-N 3.08Å; N284-N355 PolarHBondContact OD1-OD1 3.11Å; K350-N355 PolarHBondContact O-ND2 2.8Å; G353-N355 PolarHBondContact O-N 3.36Å
356	S	97.1	Very high	95.5	Very high	51 Å²	51	58.3 Å²	58.3	36%	0.357	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	0.3	-178.8	54.7	0	0	0	0	113.7	S351 D352 G353 L354 K358	S351-S356 WeakPolarHBondContact O-CB 3.4Å; S351-S356 PolarHBondContact O-OG 3.09Å; D352-S356 VanDerWaalsContact CA-OG 3.31Å; D352-S356 WeakPolarHBondContact CA-OG 3.3Å; G353-S356 PolarHBondContact N-OG 3.08Å; G353-S356 VanDerWaalsContact N-OG 3.08Å; G353-S356 PolarHBondContact O-N 3.42Å; G353-S356 VanDerWaalsContact O-N 3.15Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 3.06Å; S356-K358 PolarHBondContact O-N 3.49Å
357	L	97.9	Very high	94.9	Very high	22 Å²	22	54.6 Å²	54.6	12%	0.115	29%	0.292	C	S	.	.			trans	-67.4	126.6	178.3	178.5	59.1	0	0	0	111	A209 N212 A213 L216 N288 G353 Y359 I379	A209-L357 HydrophobicContact CB-CD1 3.8Å; A209-L357 WeakPolarHBondContact O-CD2 3.32Å; N212-L357 HydrophobicContact CB-CD2 3.44Å; N212-L357 VanDerWaalsContact CB-CD2 3.44Å; A213-L357 HydrophobicContact CB-CD2 3.93Å; L216-L357 HydrophobicContact CD1-CD2 4.4Å; N288-L357 HydrophobicContact CB-CD1 4.47Å; N288-L357 WeakPolarHBondContact ND2-CA 3.5Å; N288-L357 PolarHBondContact ND2-N 3.03Å; G353-L357 WeakPolarHBondContact O-CB 3.24Å; G353-L357 PolarHBondContact O-N 2.9Å; G353-L357 VanDerWaalsContact O-N 3.09Å; L357-Y359 HydrophobicContact CD2-CD1 4.02Å; L357-Y359 HydrophobicContact CD2-CE1 4.09Å; L357-Y359 HydrophobicContact CG-CD1 3.79Å; L357-Y359 HydrophobicContact CG-CE1 4.2Å; L357-I379 HydrophobicContact CD1-CD1 4.33Å
358	K	97	Very high	94.2	Very high	110 Å²	110	54 Å²	54	48%	0.478	28%	0.276	S	S	.	.			trans	-117.1	127.3	175	-64.3	-175.6	-176.8	-174.1	0	110.3	S356 H380 S384	S356-K358 PolarHBondContact O-N 3.49Å; K358-H380 HydrophobicContact CB-CB 3.83Å; K358-H380 WeakPolarHBondContact O-CB 3.16Å; K358-H380 PolarHBondContact O-N 2.81Å; K358-S384 PolarHBondContact NZ-O 3.3Å
359	Y	97	Very high	93.3	Very high	44 Å²	44	58.5 Å²	58.5	17%	0.173	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	167.4	179.8	65.6	-80.9	0	0	0	111.5	A213 L216 E217 L357 V361 I377 D378	A213-Y359 HydrophobicContact CB-CD1 4.07Å; A213-Y359 HydrophobicContact CB-CD2 4.14Å; A213-Y359 HydrophobicContact CB-CE1 3.94Å; A213-Y359 HydrophobicContact CB-CE2 4.02Å; A213-Y359 HydrophobicContact CB-CG 4.15Å; L216-Y359 WeakPolarHBondContact CB-OH 3.46Å; L216-Y359 HydrophobicContact CD1-CE1 4Å; E217-Y359 HydrophobicContact CG-CE2 4.01Å; E217-Y359 WeakPolarHBondContact OE1-CE2 3.2Å; E217-Y359 VanDerWaalsContact OE1-CZ 3.29Å; E217-Y359 PolarHBondContact OE1-OH 3.4Å; L357-Y359 HydrophobicContact CD2-CD1 4.02Å; L357-Y359 HydrophobicContact CD2-CE1 4.09Å; L357-Y359 HydrophobicContact CG-CD1 3.79Å; L357-Y359 HydrophobicContact CG-CE1 4.2Å; Y359-V361 HydrophobicContact CD2-CG2 4.26Å; Y359-V361 HydrophobicContact CE2-CG2 3.9Å; Y359-I377 HydrophobicContact CD2-CD1 4.21Å; Y359-I377 HydrophobicContact CD2-CG2 3.69Å; Y359-I377 HydrophobicContact CE2-CD1 4.26Å; Y359-I377 HydrophobicContact CG-CG2 3.98Å; Y359-D378 CarbonylContact C-O 3.55Å; Y359-D378 WeakPolarHBondContact CA-O 3.47Å; Y359-D378 WeakPolarHBondContact CB-O 3.31Å
360	T	96.6	Very high	92.4	Very high	63 Å²	63	58 Å²	58	39%	0.387	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.2	170.3	-66	0	0	0	0	109.6	D378 H380	T360-D378 PolarHBondContact N-O 3.05Å; T360-D378 PolarHBondContact O-N 2.98Å; T360-H380 PolarHBondContact OG1-CE1 2.95Å; T360-H380 PolarHBondContact OG1-NE2 2.8Å
361	V	96.3	Very high	91.7	Very high	10 Å²	10	52.2 Å²	52.2	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.3	167.5	-178.5	0	0	0	0	107.5	I142 E217 Y359 Q363 I375 S376	I142-V361 HydrophobicContact CD1-CB 3.58Å; I142-V361 HydrophobicContact CD1-CG1 3.81Å; I142-V361 WeakPolarHBondContact CD1-O 3.5Å; E217-V361 HydrophobicContact CG-CG2 3.97Å; Y359-V361 HydrophobicContact CD2-CG2 4.26Å; Y359-V361 HydrophobicContact CE2-CG2 3.9Å; V361-Q363 WeakPolarHBondContact CG1-O 3.05Å; V361-I375 HydrophobicContact CG1-CG2 3.84Å; V361-I375 HydrophobicContact CG2-CG2 4.27Å; V361-S376 CarbonylContact C-O 3.58Å; V361-S376 WeakPolarHBondContact CA-O 3.45Å
362	T	95.4	Very high	91.2	Very high	71 Å²	71	48.4 Å²	48.4	44%	0.436	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-22.3	177.4	58	0	0	0	0	112.6	I200 S376 D378	I200-T362 HydrophobicContact CD1-CG2 3.38Å; I200-T362 WeakPolarHBondContact CD1-OG1 3.47Å; T362-S376 PolarHBondContact N-O 2.86Å; T362-S376 WeakPolarHBondContact OG1-CB 3.06Å; T362-S376 PolarHBondContact OG1-O 2.87Å; T362-D378 HydrophobicContact CG2-CB 4.46Å
363	Q	93.7	Very high	90.9	Very high	76 Å²	76	47.8 Å²	47.8	36%	0.355	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	145.1	176.8	-175.3	168.5	97.6	0	0	110.2	V361 K365 I375 S376	V361-Q363 WeakPolarHBondContact CG1-O 3.05Å; Q363-K365 HydrophobicContact CG-CD 4.13Å; Q363-K365 HydrophobicContact CG-CG 4.41Å; Q363-I375 WeakPolarHBondContact O-CA 3.35Å; Q363-S376 PolarHBondContact O-N 3.25Å
364	S	92.7	Very high	90.7	Very high	7 Å²	7	48.6 Å²	48.6	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	112.4	177.5	-173.1	0	0	0	0	108.2	Y144 Y373 W374	Y144-S364 WeakPolarHBondContact CD1-OG 3.45Å; S364-Y373 VanDerWaalsContact OG-CE1 3.28Å; S364-Y373 WeakPolarHBondContact OG-CE1 3.31Å; S364-Y373 PolarHBondContact OG-OH 3.32Å; S364-W374 CarbonylContact C-O 3.54Å; S364-W374 WeakPolarHBondContact CA-O 3.27Å
365	K	87.8	Confident	90.7	Very high	76 Å²	76	47.8 Å²	47.8	33%	0.33	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	147.6	-175	70.3	-172.7	-173.3	-161.7	0	113.8	T145 Q363 M367 W374	T145-K365 WeakPolarHBondContact OG1-CA 3.49Å; Q363-K365 HydrophobicContact CG-CD 4.13Å; Q363-K365 HydrophobicContact CG-CG 4.41Å; K365-M367 HydrophobicContact CD-CG 4.37Å; K365-M367 WeakPolarHBondContact CE-SD 3.49Å; K365-M367 HydrophobicContact CG-CG 4.06Å; K365-W374 HydrophobicContact CG-CB 4.25Å; K365-W374 PolarHBondContact N-O 3.19Å; K365-W374 WeakPolarHBondContact O-CB 3.33Å; K365-W374 PolarHBondContact O-N 2.8Å
366	S	85.9	Confident	90.7	Very high	43 Å²	43	43.2 Å²	43.2	30%	0.301	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	137.2	164.8	-62.8	0	0	0	0	111.4	T145 Y373	T145-S366 PolarHBondContact OG1-N 2.89Å; S366-Y373 WeakPolarHBondContact OG-CD2 3.37Å
367	M	82.2	Confident	90.7	Very high	51 Å²	51	40.8 Å²	40.8	25%	0.251	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	167.7	174.4	-65.5	-176.4	62.8	0	0	111	K365 N369 G370 L371 I372 W374	K365-M367 HydrophobicContact CD-CG 4.37Å; K365-M367 WeakPolarHBondContact CE-SD 3.49Å; K365-M367 HydrophobicContact CG-CG 4.06Å; M367-N369 VanDerWaalsContact C-N 3.34Å; M367-N369 PolarHBondContact O-N 3.18Å; M367-G370 WeakPolarHBondContact O-CA 3.48Å; M367-G370 PolarHBondContact O-N 3.25Å; M367-L371 PolarHBondContact O-N 3.02Å; M367-I372 HydrophobicContact CB-CD1 4.01Å; M367-I372 HydrophobicContact CB-CG1 3.74Å; M367-I372 PolarHBondContact N-O 3.37Å; M367-I372 PolarHBondContact O-N 3.05Å; M367-W374 HydrophobicContact CE-CE3 4.46Å; M367-W374 HydrophobicContact CG-CB 4.16Å; M367-W374 HydrophobicContact SD-CB 3.75Å; M367-W374 HydrophobicContact SD-CD2 3.73Å; M367-W374 HydrophobicContact SD-CE3 3.56Å; M367-W374 VanDerWaalsContact SD-CE3 3.56Å; M367-W374 HydrophobicContact SD-CG 3.83Å; M367-W374 HydrophobicContact SD-CZ3 4.31Å
368	Y	81.1	Confident	90.7	Very high	83 Å²	83	42.7 Å²	42.7	33%	0.325	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	51.2	50.7	-178.8	-55.2	-32.5	0	0	0	112.6	T178 G370 L371 I372	T178-Y368 HydrophobicContact CG2-CE2 4.45Å; Y368-G370 PolarHBondContact O-N 3.18Å; Y368-G370 VanDerWaalsContact O-N 3.13Å; Y368-L371 WeakPolarHBondContact O-CB 3.49Å; Y368-L371 PolarHBondContact O-N 2.75Å; Y368-L371 VanDerWaalsContact O-N 3.09Å; Y368-I372 HydrophobicContact CD2-CD1 3.54Å; Y368-I372 HydrophobicContact CD2-CG1 3.72Å; Y368-I372 HydrophobicContact CD2-CG2 4.2Å; Y368-I372 HydrophobicContact CE2-CD1 3.49Å; Y368-I372 VanDerWaalsContact CE2-CD1 3.49Å; Y368-I372 HydrophobicContact CE2-CG1 4.22Å; Y368-I372 HydrophobicContact CG-CD1 4.45Å; Y368-I372 HydrophobicContact CG-CG1 4.39Å
369	N	77.4	Confident	90.7	Very high	129 Å²	129	37.9 Å²	37.9	69%	0.69	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	55.8	27.5	-176.8	-58.7	-29.1	0	0	0	114.3	M367	M367-N369 VanDerWaalsContact C-N 3.34Å; M367-N369 PolarHBondContact O-N 3.18Å
370	G	78.2	Confident	90.6	Very high	7 Å²	7	38.6 Å²	38.6	7%	0.072	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	94.9	0.9	179.5	0	0	0	0	0	114.9	M367 Y368 I372	M367-G370 WeakPolarHBondContact O-CA 3.48Å; M367-G370 PolarHBondContact O-N 3.25Å; Y368-G370 PolarHBondContact O-N 3.18Å; Y368-G370 VanDerWaalsContact O-N 3.13Å; G370-I372 VanDerWaalsContact C-N 3.27Å; G370-I372 PolarHBondContact O-N 3.34Å
371	L	80.2	Confident	90	Very high	41 Å²	41	39 Å²	39	22%	0.215	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-40.3	176	174.6	64	0	0	0	111.9	H182 M367 Y368	H182-L371 HydrophobicContact CB-CD1 3.76Å; H182-L371 HydrophobicContact CB-CD2 4.45Å; H182-L371 VanDerWaalsContact CG-CD1 3.45Å; H182-L371 VanDerWaalsContact ND1-CD1 3.27Å; H182-L371 WeakPolarHBondContact ND1-CD1 3.36Å; M367-L371 PolarHBondContact O-N 3.02Å; Y368-L371 WeakPolarHBondContact O-CB 3.49Å; Y368-L371 PolarHBondContact O-N 2.75Å; Y368-L371 VanDerWaalsContact O-N 3.09Å
372	I	87.8	Confident	88.8	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.9	177.6	69.6	171.5	0	0	0	111.1	T178 I194 I196 M367 Y368 G370 W374	T178-I372 HydrophobicContact CG2-CG2 3.6Å; I194-I372 HydrophobicContact CB-CG2 4.06Å; I194-I372 HydrophobicContact CG2-CG2 3.89Å; I194-I372 CarbonylContact O-C 3.5Å; I194-I372 VanDerWaalsContact O-CA 3.32Å; I194-I372 WeakPolarHBondContact O-CA 3.24Å; I196-I372 HydrophobicContact CG1-CB 4.22Å; I196-I372 HydrophobicContact CG1-CD1 3.75Å; I196-I372 HydrophobicContact CG1-CG1 4.49Å; M367-I372 HydrophobicContact CB-CD1 4.01Å; M367-I372 HydrophobicContact CB-CG1 3.74Å; M367-I372 PolarHBondContact N-O 3.37Å; M367-I372 PolarHBondContact O-N 3.05Å; Y368-I372 HydrophobicContact CD2-CD1 3.54Å; Y368-I372 HydrophobicContact CD2-CG1 3.72Å; Y368-I372 HydrophobicContact CD2-CG2 4.2Å; Y368-I372 HydrophobicContact CE2-CD1 3.49Å; Y368-I372 VanDerWaalsContact CE2-CD1 3.49Å; Y368-I372 HydrophobicContact CE2-CG1 4.22Å; Y368-I372 HydrophobicContact CG-CD1 4.45Å; Y368-I372 HydrophobicContact CG-CG1 4.39Å; G370-I372 VanDerWaalsContact C-N 3.27Å; G370-I372 PolarHBondContact O-N 3.34Å; I372-W374 HydrophobicContact CD1-CE3 3.98Å; I372-W374 HydrophobicContact CD1-CZ3 4.43Å
373	Y	90	Very high	87.3	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.5	170.1	-161.9	-91.5	0	0	0	110.1	T145 P147 I194 F195 I196 F221 S364 S366 I375	T145-Y373 PolarHBondContact N-OH 3.41Å; T145-Y373 WeakPolarHBondContact O-CE2 3.26Å; T145-Y373 VanDerWaalsContact O-CZ 3.32Å; T145-Y373 PolarHBondContact O-OH 3.05Å; T145-Y373 WeakPolarHBondContact OG1-CE2 3.49Å; T145-Y373 PolarHBondContact OG1-OH 3.04Å; P147-Y373 VanDerWaalsContact CA-CD2 3.42Å; P147-Y373 HydrophobicContact CB-CD2 3.58Å; P147-Y373 HydrophobicContact CB-CE2 4.14Å; P147-Y373 HydrophobicContact CB-CG 3.8Å; P147-Y373 HydrophobicContact CG-CD2 4.49Å; I194-Y373 PolarHBondContact O-N 3.01Å; F195-Y373 CarbonylContact C-O 3.49Å; F195-Y373 WeakPolarHBondContact CA-O 3.29Å; F195-Y373 AromaticContact CD1-CD1 3.86Å; F195-Y373 HydrophobicContact CD1-CD1 3.86Å; F195-Y373 HydrophobicContact CD1-CG 4.11Å; F195-Y373 AromaticContact CE1-CD1 3.9Å; F195-Y373 HydrophobicContact CE1-CD1 3.9Å; F195-Y373 HydrophobicContact CE1-CG 4.04Å; I196-Y373 PolarHBondContact N-O 3.25Å; F221-Y373 HydrophobicContact CE2-CE1 4.04Å; F221-Y373 AromaticContact CZ-CE1 3.75Å; F221-Y373 HydrophobicContact CZ-CE1 3.75Å; F221-Y373 AromaticContact CZ-CZ 3.98Å; S364-Y373 VanDerWaalsContact OG-CE1 3.28Å; S364-Y373 WeakPolarHBondContact OG-CE1 3.31Å; S364-Y373 PolarHBondContact OG-OH 3.32Å; S366-Y373 WeakPolarHBondContact OG-CD2 3.37Å; Y373-I375 HydrophobicContact CD1-CD1 4.09Å; Y373-I375 HydrophobicContact CD1-CG1 3.81Å; Y373-I375 HydrophobicContact CE1-CD1 4.11Å; Y373-I375 HydrophobicContact CE1-CG1 3.83Å
374	W	95.8	Very high	85.2	Confident	16 Å²	16	51.1 Å²	51.1	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.4	-174	-167.4	-76.8	0	0	0	111.2	Y167 L174 I196 E198 S364 K365 M367 I372 S376	Y167-W374 AromaticContact CD1-CH2 3.67Å; Y167-W374 HydrophobicContact CD1-CH2 3.67Å; Y167-W374 AromaticContact CD1-CZ2 3.79Å; Y167-W374 HydrophobicContact CD1-CZ2 3.79Å; Y167-W374 AromaticContact CE1-CH2 3.31Å; Y167-W374 HydrophobicContact CE1-CH2 3.31Å; Y167-W374 AromaticContact CE1-CZ2 3.62Å; Y167-W374 HydrophobicContact CE1-CZ2 3.62Å; Y167-W374 HydrophobicContact CE1-CZ3 4.44Å; Y167-W374 HydrophobicContact CG-CH2 4.43Å; Y167-W374 AromaticContact CZ-CH2 3.8Å; L174-W374 HydrophobicContact CD2-CE3 4.47Å; L174-W374 HydrophobicContact CD2-CH2 3.99Å; L174-W374 HydrophobicContact CD2-CZ3 3.45Å; L174-W374 VanDerWaalsContact CD2-CZ3 3.45Å; I196-W374 HydrophobicContact CB-CD2 4.27Å; I196-W374 HydrophobicContact CB-CE3 3.85Å; I196-W374 HydrophobicContact CB-CZ3 4.3Å; I196-W374 HydrophobicContact CG1-CE3 4.26Å; I196-W374 HydrophobicContact CG2-CD2 4.16Å; I196-W374 HydrophobicContact CG2-CE3 3.74Å; I196-W374 HydrophobicContact CG2-CH2 4.12Å; I196-W374 HydrophobicContact CG2-CZ2 4.48Å; I196-W374 HydrophobicContact CG2-CZ3 3.74Å; E198-W374 HydrophobicContact CB-CZ2 3.83Å; E198-W374 VanDerWaalsContact CD-CZ2 3.45Å; E198-W374 HydrophobicContact CG-CZ2 4.06Å; E198-W374 PolarHBondContact OE2-NE1 3.28Å; S364-W374 CarbonylContact C-O 3.54Å; S364-W374 WeakPolarHBondContact CA-O 3.27Å; K365-W374 HydrophobicContact CG-CB 4.25Å; K365-W374 PolarHBondContact N-O 3.19Å; K365-W374 WeakPolarHBondContact O-CB 3.33Å; K365-W374 PolarHBondContact O-N 2.8Å; M367-W374 HydrophobicContact CE-CE3 4.46Å; M367-W374 HydrophobicContact CG-CB 4.16Å; M367-W374 HydrophobicContact SD-CB 3.75Å; M367-W374 HydrophobicContact SD-CD2 3.73Å; M367-W374 HydrophobicContact SD-CE3 3.56Å; M367-W374 VanDerWaalsContact SD-CE3 3.56Å; M367-W374 HydrophobicContact SD-CG 3.83Å; M367-W374 HydrophobicContact SD-CZ3 4.31Å; I372-W374 HydrophobicContact CD1-CE3 3.98Å; I372-W374 HydrophobicContact CD1-CZ3 4.43Å; W374-S376 PolarHBondContact NE1-OG 2.89Å; W374-S376 VanDerWaalsContact NE1-OG 3.09Å
375	I	97.1	Very high	84.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	116	175.6	-52.9	-177.4	0	0	0	108.2	I196 I197 E198 E217 F221 V361 Q363 Y373 I377	I196-I375 PolarHBondContact O-N 2.98Å; I197-I375 CarbonylContact C-O 3.56Å; I197-I375 WeakPolarHBondContact CA-O 3.49Å; I197-I375 HydrophobicContact CD1-CB 4.04Å; I197-I375 HydrophobicContact CD1-CD1 4.07Å; I197-I375 HydrophobicContact CD1-CG1 4.3Å; E198-I375 PolarHBondContact N-O 3.01Å; E217-I375 HydrophobicContact CB-CD1 3.75Å; E217-I375 HydrophobicContact CG-CD1 4.43Å; E217-I375 HydrophobicContact CG-CG2 4.34Å; F221-I375 HydrophobicContact CE2-CD1 4.39Å; V361-I375 HydrophobicContact CG1-CG2 3.84Å; V361-I375 HydrophobicContact CG2-CG2 4.27Å; Q363-I375 WeakPolarHBondContact O-CA 3.35Å; Y373-I375 HydrophobicContact CD1-CD1 4.09Å; Y373-I375 HydrophobicContact CD1-CG1 3.81Å; Y373-I375 HydrophobicContact CE1-CD1 4.11Å; Y373-I375 HydrophobicContact CE1-CG1 3.83Å; I375-I377 HydrophobicContact CG2-CD1 4.08Å; I375-I377 HydrophobicContact CG2-CG1 3.85Å
376	S	98	Very high	84.6	Confident	4 Å²	4	52.2 Å²	52.2	3%	0.028	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.4	175.1	-56.7	0	0	0	0	109.7	E198 V361 T362 Q363 W374	E198-S376 PolarHBondContact OE2-OG 2.94Å; V361-S376 CarbonylContact C-O 3.58Å; V361-S376 WeakPolarHBondContact CA-O 3.45Å; T362-S376 PolarHBondContact N-O 2.86Å; T362-S376 WeakPolarHBondContact OG1-CB 3.06Å; T362-S376 PolarHBondContact OG1-O 2.87Å; Q363-S376 PolarHBondContact O-N 3.25Å; W374-S376 PolarHBondContact NE1-OG 2.89Å; W374-S376 VanDerWaalsContact NE1-OG 3.09Å
377	I	97.8	Very high	84.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.5	-170.1	-59.6	-164.3	0	0	0	110.5	I197 E198 I200 L210 A213 Y359 I375 I379	I197-I377 HydrophobicContact CG2-CD1 3.39Å; I197-I377 HydrophobicContact CG2-CG1 3.98Å; E198-I377 PolarHBondContact O-N 3.26Å; I200-I377 PolarHBondContact N-O 3.49Å; L210-I377 HydrophobicContact CD2-CB 4.3Å; A213-I377 HydrophobicContact CB-CD1 3.41Å; A213-I377 VanDerWaalsContact CB-CD1 3.41Å; A213-I377 HydrophobicContact CB-CG2 4.34Å; Y359-I377 HydrophobicContact CD2-CD1 4.21Å; Y359-I377 HydrophobicContact CD2-CG2 3.69Å; Y359-I377 HydrophobicContact CE2-CD1 4.26Å; Y359-I377 HydrophobicContact CG-CG2 3.98Å; I375-I377 HydrophobicContact CG2-CD1 4.08Å; I375-I377 HydrophobicContact CG2-CG1 3.85Å; I377-I379 HydrophobicContact CG2-CD1 3.73Å; I377-I379 HydrophobicContact CG2-CG1 4.3Å
378	D	97.3	Very high	84.7	Confident	63 Å²	63	52.8 Å²	52.8	34%	0.337	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	110.4	165.4	-171.6	8.3	0	0	0	109.5	I200 Y359 T360 T362	I200-D378 HydrophobicContact CD1-CB 3.84Å; I200-D378 HydrophobicContact CG1-CB 3.84Å; Y359-D378 CarbonylContact C-O 3.55Å; Y359-D378 WeakPolarHBondContact CA-O 3.47Å; Y359-D378 WeakPolarHBondContact CB-O 3.31Å; T360-D378 PolarHBondContact N-O 3.05Å; T360-D378 PolarHBondContact O-N 2.98Å; T362-D378 HydrophobicContact CG2-CB 4.46Å
379	I	96.6	Very high	84.9	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.046	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.5	177.7	-58.2	-68.4	0	0	0	108.4	R203 A209 L210 L357 I377	R203-I379 PolarHBondContact NH1-O 3.49Å; A209-I379 HydrophobicContact CB-CD1 3.91Å; A209-I379 HydrophobicContact CB-CG1 4.45Å; A209-I379 HydrophobicContact CB-CG2 4.36Å; L210-I379 HydrophobicContact CD2-CD1 4.27Å; L210-I379 HydrophobicContact CD2-CG1 4.29Å; L357-I379 HydrophobicContact CD1-CD1 4.33Å; I377-I379 HydrophobicContact CG2-CD1 3.73Å; I377-I379 HydrophobicContact CG2-CG1 4.3Å
380	H	94.3	Very high	85.5	Confident	58 Å²	58	45.7 Å²	45.7	27%	0.269	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-72.3	149.6	-177.5	-65.2	178.8	0	0	0	111.9	R203 K358 T360	R203-H380 PolarHBondContact NH1-O 2.77Å; K358-H380 HydrophobicContact CB-CB 3.83Å; K358-H380 WeakPolarHBondContact O-CB 3.16Å; K358-H380 PolarHBondContact O-N 2.81Å; T360-H380 PolarHBondContact OG1-CE1 2.95Å; T360-H380 PolarHBondContact OG1-NE2 2.8Å
381	P	84.6	Confident	86	Confident	71 Å²	71	48.4 Å²	48.4	46%	0.461	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-60.7	148	173	-22.2	33.7	0	0	0	111.1	N383 S384	P381-N383 PolarHBondContact O-N 2.65Å; P381-S384 PolarHBondContact O-N 2.87Å; P381-S384 VanDerWaalsContact O-N 3.09Å; P381-S384 PolarHBondContact O-OG 3.41Å
382	K	70.9	Confident	86.4	Confident	162 Å²	162	49 Å²	49	70%	0.704	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.4	178.7	-172.2	178	178.1	179.1	0	113.3	L289	L289-K382 HydrophobicContact CD2-CD 3.87Å
383	N	63.1	Low	86.3	Confident	159 Å²	159	52.9 Å²	52.9	85%	0.85	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	8.7	-176.9	-63.3	-10	0	0	0	114.2	P381	P381-N383 PolarHBondContact O-N 2.65Å
384	S	50.1	Low	86	Confident	92 Å²	92	57.6 Å²	57.6	64%	0.643	31%	0.309	S	S	*	.			trans	-85.3	0	177.6	67.1	0	0	0	0	113.5	K358 P381	K358-S384 PolarHBondContact NZ-O 3.3Å; P381-S384 PolarHBondContact O-N 2.87Å; P381-S384 VanDerWaalsContact O-N 3.09Å; P381-S384 PolarHBondContact O-OG 3.41Å

Retrieved 384 of 384 residues in 107.4 ms (Link to these results)

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