A0A087XVM3_POEFO Loading...

hydroxymethylglutaryl-CoA lyase

AlphaFold DB , UniProt , Accession A0A087XVM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 343 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	40.2	Very low	41.8	Very low	254 Å²	254	144.7 Å²	144.7	100%	1.251	83%	0.83	S	S	*	*				0	124.3	0	-66.8	178.6	-178.4	0	0	106.3
2	G	34.8	Very low	42.2	Very low	74 Å²	74	139.1 Å²	139.1	76%	0.763	80%	0.795	S	S	*	*			cis	-130	149.7	17.7	0	0	0	0	0	113.3
3	N	43.4	Very low	43.4	Very low	164 Å²	164	133.2 Å²	133.2	88%	0.877	77%	0.767	S	S	*	*			trans	-63	132.5	171.1	-68.7	-29.2	0	0	0	110.1
4	V	37.9	Very low	44.2	Very low	140 Å²	140	133.3 Å²	133.3	85%	0.848	75%	0.75	S	S	*	*			trans	-105.9	133.1	147.9	-177.4	0	0	0	0	106.7
5	P	39.1	Very low	44.9	Very low	90 Å²	90	137.3 Å²	137.3	58%	0.584	75%	0.749	S	S	*	*			trans	-82.4	166.6	-155.9	-10	29	0	0	0	114.2	T7	P5-T7 PolarHBondContact O-N 2.85Å
6	T	45.7	Very low	46	Very low	154 Å²	154	134.1 Å²	134.1	95%	0.945	73%	0.727	S	S	*	*	S	Bend	trans	-65.9	31	173.4	-11.5	0	0	0	0	114.6
7	T	43	Very low	46.9	Very low	109 Å²	109	129.4 Å²	129.4	67%	0.669	70%	0.701	S	S	*	*			trans	-137.4	63.8	-175.1	52.4	0	0	0	0	112	P5	P5-T7 PolarHBondContact O-N 2.85Å
8	V	44.4	Very low	47.4	Very low	113 Å²	113	124 Å²	124	69%	0.685	67%	0.671	S	S	*	*			trans	-141.8	61.9	140.2	-166.6	0	0	0	0	108.5	H10	V8-H10 HydrophobicContact CG1-CB 4.09Å; V8-H10 PolarHBondContact O-N 2.79Å
9	K	45	Very low	48.2	Very low	207 Å²	207	124.9 Å²	124.9	90%	0.9	67%	0.671	S	S	*	*			trans	-75.6	82.7	141.1	-106.7	-175.3	178.3	178.5	0	105.6
10	H	39.8	Very low	49.4	Very low	155 Å²	155	124.5 Å²	124.5	72%	0.718	66%	0.664	S	S	*	*			trans	-132.9	126.4	159.4	-87	-89.3	0	0	0	106.2	V8 L12	V8-H10 HydrophobicContact CG1-CB 4.09Å; V8-H10 PolarHBondContact O-N 2.79Å; H10-L12 PolarHBondContact O-N 3.04Å
11	C	46.5	Very low	50.3	Low	132 Å²	132	124 Å²	124	89%	0.892	65%	0.654	S	S	*	*			trans	-55.1	87.3	168.2	-62.8	0	0	0	0	108.6	S13	C11-S13 PolarHBondContact O-N 3.01Å
12	L	46.5	Very low	51.5	Low	77 Å²	77	116.3 Å²	116.3	40%	0.403	62%	0.623	S	S	.	*			trans	-62	112	155.5	-69.7	173.3	0	0	0	104	H10 Y14 Q16 I17	H10-L12 PolarHBondContact O-N 3.04Å; L12-Y14 PolarHBondContact O-N 3.14Å; L12-Q16 HydrophobicContact CB-CB 4.49Å; L12-Q16 HydrophobicContact CD2-CB 4.15Å; L12-I17 HydrophobicContact CB-CD1 4.08Å; L12-I17 HydrophobicContact CB-CG1 3.89Å; L12-I17 HydrophobicContact CD1-CD1 4.47Å; L12-I17 HydrophobicContact CD1-CG1 4.04Å
13	S	57.8	Low	53	Low	63 Å²	63	120.6 Å²	120.6	44%	0.441	62%	0.616	S	S	.	*			trans	-54.6	141.9	170.4	76.2	0	0	0	0	106.7	C11 R15 Q16	C11-S13 PolarHBondContact O-N 3.01Å; S13-R15 CarbonylContact O-C 3.56Å; S13-R15 PolarHBondContact O-N 3.28Å; S13-Q16 PolarHBondContact O-N 3Å
14	Y	54.6	Low	53.7	Low	134 Å²	134	115.3 Å²	115.3	53%	0.525	59%	0.585	S	S	.	*	H	α-helix	trans	-46.5	-26.5	179.2	-175.3	-104.6	0	0	0	113.2	L12 I18 L28	L12-Y14 PolarHBondContact O-N 3.14Å; Y14-I18 HydrophobicContact CD1-CD1 3.66Å; Y14-I18 HydrophobicContact CE1-CD1 3.29Å; Y14-I18 HydrophobicContact CE1-CG1 4.48Å; Y14-I18 HydrophobicContact CG-CD1 4.43Å; Y14-I18 WeakPolarHBondContact O-CG1 3.42Å; Y14-I18 PolarHBondContact O-N 3.03Å; Y14-L28 HydrophobicContact CE2-CD1 4.27Å
15	R	54.2	Low	54.8	Low	194 Å²	194	115.3 Å²	115.3	73%	0.732	57%	0.57	S	S	*	*	H	α-helix	trans	-61.3	-45.7	171.4	-100.6	-177.9	178.5	164.7	-0.5	114.9	S13 I17 I18 E19	S13-R15 CarbonylContact O-C 3.56Å; S13-R15 PolarHBondContact O-N 3.28Å; R15-I17 PolarHBondContact O-N 3.13Å; R15-I18 PolarHBondContact O-N 3.28Å; R15-E19 PolarHBondContact O-N 3.03Å; R15-E19 VanDerWaalsContact O-N 3.14Å
16	Q	62.6	Low	55.9	Low	85 Å²	85	113.7 Å²	113.7	40%	0.397	56%	0.561	S	S	.	*	H	α-helix	trans	-66.5	-38.5	-176.4	-89.1	174.6	-47.6	0	0	112.4	L12 S13 I18 E19 E20	L12-Q16 HydrophobicContact CB-CB 4.49Å; L12-Q16 HydrophobicContact CD2-CB 4.15Å; S13-Q16 PolarHBondContact O-N 3Å; Q16-I18 VanDerWaalsContact C-N 3.3Å; Q16-I18 PolarHBondContact O-N 3.06Å; Q16-E19 PolarHBondContact O-N 3.07Å; Q16-E20 PolarHBondContact O-N 2.81Å
17	I	61.2	Low	56.7	Low	55 Å²	55	111.6 Å²	111.6	28%	0.282	54%	0.536	S	S	.	.	H	α-helix	trans	-65.3	-36.7	177.4	-62.9	175.2	0	0	0	111.1	L12 R15 Y21 F24	L12-I17 HydrophobicContact CB-CD1 4.08Å; L12-I17 HydrophobicContact CB-CG1 3.89Å; L12-I17 HydrophobicContact CD1-CD1 4.47Å; L12-I17 HydrophobicContact CD1-CG1 4.04Å; R15-I17 PolarHBondContact O-N 3.13Å; I17-Y21 PolarHBondContact O-N 3.24Å; I17-Y21 VanDerWaalsContact O-N 3.17Å; I17-F24 HydrophobicContact CG2-CD1 3.62Å; I17-F24 HydrophobicContact CG2-CE1 3.69Å; I17-F24 HydrophobicContact CG2-CG 4.44Å
18	I	57.3	Low	57.4	Low	32 Å²	32	107.8 Å²	107.8	16%	0.164	51%	0.511	C	S	.	.	H	α-helix	trans	-70.6	-32.2	178.1	-73.9	177	0	0	0	112.2	Y14 R15 Q16 R25	Y14-I18 HydrophobicContact CD1-CD1 3.66Å; Y14-I18 HydrophobicContact CE1-CD1 3.29Å; Y14-I18 HydrophobicContact CE1-CG1 4.48Å; Y14-I18 HydrophobicContact CG-CD1 4.43Å; Y14-I18 WeakPolarHBondContact O-CG1 3.42Å; Y14-I18 PolarHBondContact O-N 3.03Å; R15-I18 PolarHBondContact O-N 3.28Å; Q16-I18 VanDerWaalsContact C-N 3.3Å; Q16-I18 PolarHBondContact O-N 3.06Å; I18-R25 HydrophobicContact CG2-CB 4.13Å; I18-R25 HydrophobicContact CG2-CG 4.02Å
19	E	62.8	Low	58.1	Low	142 Å²	142	107.6 Å²	107.6	66%	0.664	50%	0.503	S	S	*	.	H	α-helix	trans	-77.8	-41.6	178.5	-74.9	174.9	-179.9	0	0	112.5	R15 Q16	R15-E19 PolarHBondContact O-N 3.03Å; R15-E19 VanDerWaalsContact O-N 3.14Å; Q16-E19 PolarHBondContact O-N 3.07Å
20	E	70.4	Confident	58.8	Low	116 Å²	116	103 Å²	103	54%	0.542	49%	0.485	S	S	.	.	H	α-helix	trans	-76.5	-25.3	-179.3	-72.5	-178.8	174.4	0	0	113.4	Q16	Q16-E20 PolarHBondContact O-N 2.81Å
21	Y	68.3	Low	59.5	Low	114 Å²	114	99.8 Å²	99.8	45%	0.447	47%	0.47	S	S	.	.			trans	-128.2	80.3	-178.8	-58.2	-80.2	0	0	0	111.2	I17 W23 F24	I17-Y21 PolarHBondContact O-N 3.24Å; I17-Y21 VanDerWaalsContact O-N 3.17Å; Y21-W23 HydrophobicContact CD1-CZ2 4.16Å; Y21-W23 AromaticContact CD1-NE1 3.55Å; Y21-W23 PolarHBondContact O-N 2.89Å; Y21-W23 VanDerWaalsContact O-N 3.12Å; Y21-F24 WeakPolarHBondContact O-CB 3.33Å; Y21-F24 PolarHBondContact O-N 3.4Å
22	P	66.4	Low	59.9	Low	93 Å²	93	99.1 Å²	99.1	60%	0.604	45%	0.452	S	S	*	.	H	α-helix	trans	-57.6	-31.1	-178.1	-25.6	34	0	0	0	113.6	F24 R25 S26	P22-F24 VanDerWaalsContact C-N 3.28Å; P22-F24 PolarHBondContact O-N 2.76Å; P22-R25 WeakPolarHBondContact O-CB 3.15Å; P22-R25 PolarHBondContact O-N 3.39Å; P22-S26 PolarHBondContact O-N 3.48Å
23	W	65.5	Low	60.3	Low	163 Å²	163	99 Å²	99	62%	0.617	46%	0.457	S	S	*	.	H	α-helix	trans	-65.5	-29.7	175	64.5	-96.8	0	0	0	112.6	Y21 R25 S26 W27	Y21-W23 HydrophobicContact CD1-CZ2 4.16Å; Y21-W23 AromaticContact CD1-NE1 3.55Å; Y21-W23 PolarHBondContact O-N 2.89Å; Y21-W23 VanDerWaalsContact O-N 3.12Å; W23-R25 VanDerWaalsContact C-N 3.33Å; W23-R25 PolarHBondContact O-N 2.67Å; W23-S26 PolarHBondContact O-N 3.36Å; W23-W27 WeakPolarHBondContact O-CB 3.45Å; W23-W27 PolarHBondContact O-N 2.72Å
24	F	59.5	Low	60.1	Low	53 Å²	53	100 Å²	100	23%	0.232	46%	0.461	C	S	.	.	H	α-helix	trans	-69.5	-32.6	178.4	-170.4	-110.1	0	0	0	111.5	I17 Y21 P22 W27 L28	I17-F24 HydrophobicContact CG2-CD1 3.62Å; I17-F24 HydrophobicContact CG2-CE1 3.69Å; I17-F24 HydrophobicContact CG2-CG 4.44Å; Y21-F24 WeakPolarHBondContact O-CB 3.33Å; Y21-F24 PolarHBondContact O-N 3.4Å; P22-F24 VanDerWaalsContact C-N 3.28Å; P22-F24 PolarHBondContact O-N 2.76Å; F24-W27 AromaticContact CD2-CE3 3.92Å; F24-W27 HydrophobicContact CD2-CE3 3.92Å; F24-W27 HydrophobicContact CD2-CZ3 4.35Å; F24-W27 AromaticContact CE2-CE3 3.78Å; F24-W27 HydrophobicContact CE2-CE3 3.78Å; F24-W27 AromaticContact CE2-CZ3 3.74Å; F24-W27 HydrophobicContact CE2-CZ3 3.74Å; F24-W27 HydrophobicContact CZ-CZ3 4.41Å; F24-L28 HydrophobicContact CD1-CD1 3.56Å; F24-L28 HydrophobicContact CD1-CG 4.29Å; F24-L28 HydrophobicContact CE1-CD1 3.32Å; F24-L28 HydrophobicContact CE1-CG 4.05Å; F24-L28 HydrophobicContact CG-CD1 4.37Å; F24-L28 HydrophobicContact CZ-CD1 3.93Å; F24-L28 HydrophobicContact CZ-CD2 4.47Å; F24-L28 HydrophobicContact CZ-CG 4.2Å; F24-L28 VanDerWaalsContact O-CB 3.29Å; F24-L28 WeakPolarHBondContact O-CB 3.32Å; F24-L28 VanDerWaalsContact O-CG 3.31Å; F24-L28 WeakPolarHBondContact O-CG 3.5Å; F24-L28 PolarHBondContact O-N 2.71Å
25	R	59.8	Low	59.9	Low	140 Å²	140	98.6 Å²	98.6	53%	0.528	46%	0.462	S	S	.	.	H	α-helix	trans	-65.7	-44.2	172.1	-167	-175.5	-173.8	169.8	-0.7	111.8	I18 P22 W23 Q29	I18-R25 HydrophobicContact CG2-CB 4.13Å; I18-R25 HydrophobicContact CG2-CG 4.02Å; P22-R25 WeakPolarHBondContact O-CB 3.15Å; P22-R25 PolarHBondContact O-N 3.39Å; W23-R25 VanDerWaalsContact C-N 3.33Å; W23-R25 PolarHBondContact O-N 2.67Å; R25-Q29 WeakPolarHBondContact O-CB 3.37Å; R25-Q29 VanDerWaalsContact O-CG 3.3Å; R25-Q29 WeakPolarHBondContact O-CG 3.48Å; R25-Q29 PolarHBondContact O-N 2.72Å
26	S	62.1	Low	59.9	Low	56 Å²	56	93.7 Å²	93.7	39%	0.392	45%	0.449	S	S	.	.	H	α-helix	trans	-63.7	-45.4	176.2	-160.7	0	0	0	0	110.7	P22 W23 Q29 E30	P22-S26 PolarHBondContact O-N 3.48Å; W23-S26 PolarHBondContact O-N 3.36Å; S26-Q29 CarbonylContact O-C 3.55Å; S26-Q29 PolarHBondContact O-N 2.97Å; S26-E30 WeakPolarHBondContact O-CB 3.44Å; S26-E30 WeakPolarHBondContact O-CG 3.27Å; S26-E30 PolarHBondContact O-N 2.99Å
27	W	63.9	Low	59.2	Low	110 Å²	110	96.2 Å²	96.2	42%	0.417	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-43	177.9	-178.9	75.6	0	0	0	112.8	W23 F24 Q29 E30 E31	W23-W27 WeakPolarHBondContact O-CB 3.45Å; W23-W27 PolarHBondContact O-N 2.72Å; F24-W27 AromaticContact CD2-CE3 3.92Å; F24-W27 HydrophobicContact CD2-CE3 3.92Å; F24-W27 HydrophobicContact CD2-CZ3 4.35Å; F24-W27 AromaticContact CE2-CE3 3.78Å; F24-W27 HydrophobicContact CE2-CE3 3.78Å; F24-W27 AromaticContact CE2-CZ3 3.74Å; F24-W27 HydrophobicContact CE2-CZ3 3.74Å; F24-W27 HydrophobicContact CZ-CZ3 4.41Å; W27-Q29 VanDerWaalsContact C-N 3.34Å; W27-Q29 PolarHBondContact O-N 3.48Å; W27-E30 PolarHBondContact O-N 3.36Å; W27-E31 VanDerWaalsContact CH2-CD 3.48Å; W27-E31 HydrophobicContact CH2-CG 4.5Å; W27-E31 WeakPolarHBondContact CH2-OE1 3.36Å; W27-E31 WeakPolarHBondContact CH2-OE2 3.47Å; W27-E31 HydrophobicContact CZ2-CG 4.1Å; W27-E31 WeakPolarHBondContact CZ2-OE1 3.28Å; W27-E31 PolarHBondContact O-N 2.9Å
28	L	57.8	Low	58.5	Low	29 Å²	29	97.4 Å²	97.4	15%	0.152	47%	0.465	C	S	.	.	H	α-helix	trans	-66.3	-34.1	173.5	-80.3	169.5	0	0	0	112.9	Y14 F24 K32	Y14-L28 HydrophobicContact CE2-CD1 4.27Å; F24-L28 HydrophobicContact CD1-CD1 3.56Å; F24-L28 HydrophobicContact CD1-CG 4.29Å; F24-L28 HydrophobicContact CE1-CD1 3.32Å; F24-L28 HydrophobicContact CE1-CG 4.05Å; F24-L28 HydrophobicContact CG-CD1 4.37Å; F24-L28 HydrophobicContact CZ-CD1 3.93Å; F24-L28 HydrophobicContact CZ-CD2 4.47Å; F24-L28 HydrophobicContact CZ-CG 4.2Å; F24-L28 VanDerWaalsContact O-CB 3.29Å; F24-L28 WeakPolarHBondContact O-CB 3.32Å; F24-L28 VanDerWaalsContact O-CG 3.31Å; F24-L28 WeakPolarHBondContact O-CG 3.5Å; F24-L28 PolarHBondContact O-N 2.71Å; L28-K32 VanDerWaalsContact O-CB 3.29Å; L28-K32 WeakPolarHBondContact O-CB 3.48Å; L28-K32 WeakPolarHBondContact O-CG 3.49Å; L28-K32 PolarHBondContact O-N 3.05Å
29	Q	59.2	Low	57.8	Low	109 Å²	109	102.7 Å²	102.7	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-71.7	-37.5	173.9	-79.4	177.6	-36.7	0	0	111.1	R25 S26 W27 S33	R25-Q29 WeakPolarHBondContact O-CB 3.37Å; R25-Q29 VanDerWaalsContact O-CG 3.3Å; R25-Q29 WeakPolarHBondContact O-CG 3.48Å; R25-Q29 PolarHBondContact O-N 2.72Å; S26-Q29 CarbonylContact O-C 3.55Å; S26-Q29 PolarHBondContact O-N 2.97Å; W27-Q29 VanDerWaalsContact C-N 3.34Å; W27-Q29 PolarHBondContact O-N 3.48Å; Q29-S33 WeakPolarHBondContact O-CB 3.43Å; Q29-S33 PolarHBondContact O-N 2.96Å; Q29-S33 PolarHBondContact O-OG 3.38Å
30	E	57.9	Low	57	Low	112 Å²	112	101.6 Å²	101.6	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-66.6	-46	173	-79.1	168.2	-162.3	0	0	111.3	S26 W27 S33 V34	S26-E30 WeakPolarHBondContact O-CB 3.44Å; S26-E30 WeakPolarHBondContact O-CG 3.27Å; S26-E30 PolarHBondContact O-N 2.99Å; W27-E30 PolarHBondContact O-N 3.36Å; E30-S33 CarbonylContact O-C 3.54Å; E30-S33 PolarHBondContact O-N 2.91Å; E30-V34 WeakPolarHBondContact O-CB 3.4Å; E30-V34 WeakPolarHBondContact O-CG2 3.4Å; E30-V34 PolarHBondContact O-N 3.49Å
31	E	55.4	Low	55.7	Low	87 Å²	87	101.2 Å²	101.2	41%	0.407	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-42.3	174.6	-83	-160.4	153.2	0	0	112.5	W27 S33 V34 L35	W27-E31 VanDerWaalsContact CH2-CD 3.48Å; W27-E31 HydrophobicContact CH2-CG 4.5Å; W27-E31 WeakPolarHBondContact CH2-OE1 3.36Å; W27-E31 WeakPolarHBondContact CH2-OE2 3.47Å; W27-E31 HydrophobicContact CZ2-CG 4.1Å; W27-E31 WeakPolarHBondContact CZ2-OE1 3.28Å; W27-E31 PolarHBondContact O-N 2.9Å; E31-S33 VanDerWaalsContact C-N 3.33Å; E31-V34 PolarHBondContact O-N 3.44Å; E31-L35 VanDerWaalsContact O-CB 3.31Å; E31-L35 WeakPolarHBondContact O-CB 3.24Å; E31-L35 WeakPolarHBondContact O-CG 3.41Å; E31-L35 PolarHBondContact O-N 3.17Å
32	K	54.7	Low	54.6	Low	118 Å²	118	101 Å²	101	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-36.9	173.8	-79.7	-177.6	178.5	-179.3	0	111.9	L28 L35 I36	L28-K32 VanDerWaalsContact O-CB 3.29Å; L28-K32 WeakPolarHBondContact O-CB 3.48Å; L28-K32 WeakPolarHBondContact O-CG 3.49Å; L28-K32 PolarHBondContact O-N 3.05Å; K32-L35 PolarHBondContact O-N 3.11Å; K32-I36 VanDerWaalsContact O-CB 3.22Å; K32-I36 WeakPolarHBondContact O-CB 3.39Å; K32-I36 WeakPolarHBondContact O-CD1 3.34Å; K32-I36 WeakPolarHBondContact O-CG1 3.46Å; K32-I36 PolarHBondContact O-N 2.88Å
33	S	54.2	Low	53.8	Low	74 Å²	74	103.7 Å²	103.7	52%	0.517	50%	0.495	S	S	.	.	H	α-helix	trans	-67.7	-39.9	175.1	-60.3	0	0	0	0	110.2	Q29 E30 E31 I36 F37	Q29-S33 WeakPolarHBondContact O-CB 3.43Å; Q29-S33 PolarHBondContact O-N 2.96Å; Q29-S33 PolarHBondContact O-OG 3.38Å; E30-S33 CarbonylContact O-C 3.54Å; E30-S33 PolarHBondContact O-N 2.91Å; E31-S33 VanDerWaalsContact C-N 3.33Å; S33-I36 PolarHBondContact O-N 3.15Å; S33-F37 WeakPolarHBondContact O-CA 3.46Å; S33-F37 WeakPolarHBondContact O-CB 3.42Å; S33-F37 PolarHBondContact O-N 3.07Å
34	V	55.1	Low	53.3	Low	84 Å²	84	101.2 Å²	101.2	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-67.5	-38.8	174.6	169.2	0	0	0	0	111.1	E30 E31 L38	E30-V34 WeakPolarHBondContact O-CB 3.4Å; E30-V34 WeakPolarHBondContact O-CG2 3.4Å; E30-V34 PolarHBondContact O-N 3.49Å; E31-V34 PolarHBondContact O-N 3.44Å; V34-L38 HydrophobicContact CG1-CD1 3.67Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CA 3.37Å; V34-L38 WeakPolarHBondContact O-CB 3.47Å; V34-L38 WeakPolarHBondContact O-CD1 3.34Å; V34-L38 WeakPolarHBondContact O-CG 3.48Å; V34-L38 PolarHBondContact O-N 3.27Å
35	L	50.2	Low	54.1	Low	104 Å²	104	104.3 Å²	104.3	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-69.5	-39.8	174.6	-84	161.9	0	0	0	112.6	E31 K32 L38 Q39	E31-L35 VanDerWaalsContact O-CB 3.31Å; E31-L35 WeakPolarHBondContact O-CB 3.24Å; E31-L35 WeakPolarHBondContact O-CG 3.41Å; E31-L35 PolarHBondContact O-N 3.17Å; K32-L35 PolarHBondContact O-N 3.11Å; L35-L38 CarbonylContact O-C 3.53Å; L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.42Å; L35-Q39 PolarHBondContact O-N 2.99Å
36	I	54.3	Low	55.6	Low	92 Å²	92	100.2 Å²	100.2	47%	0.472	49%	0.494	S	S	.	.	H	α-helix	trans	-70.8	-39.4	174.3	-70.1	164.8	0	0	0	110	K32 S33 Q39 I40	K32-I36 VanDerWaalsContact O-CB 3.22Å; K32-I36 WeakPolarHBondContact O-CB 3.39Å; K32-I36 WeakPolarHBondContact O-CD1 3.34Å; K32-I36 WeakPolarHBondContact O-CG1 3.46Å; K32-I36 PolarHBondContact O-N 2.88Å; S33-I36 PolarHBondContact O-N 3.15Å; I36-Q39 CarbonylContact O-C 3.58Å; I36-Q39 PolarHBondContact O-N 3.34Å; I36-I40 HydrophobicContact CG2-CD1 3.69Å; I36-I40 HydrophobicContact CG2-CG1 4.4Å; I36-I40 VanDerWaalsContact O-CB 3.32Å; I36-I40 WeakPolarHBondContact O-CB 3.35Å; I36-I40 WeakPolarHBondContact O-CD1 3.49Å; I36-I40 WeakPolarHBondContact O-CG1 3.46Å; I36-I40 PolarHBondContact O-N 3.38Å
37	F	47.6	Very low	57.2	Low	137 Å²	137	98.6 Å²	98.6	60%	0.601	48%	0.482	S	S	*	.	H	α-helix	trans	-69.2	-35.6	175.1	-156.2	-101.1	0	0	0	110.7	S33 I40 I41	S33-F37 WeakPolarHBondContact O-CA 3.46Å; S33-F37 WeakPolarHBondContact O-CB 3.42Å; S33-F37 PolarHBondContact O-N 3.07Å; F37-I40 PolarHBondContact O-N 3.33Å; F37-I41 HydrophobicContact CD1-CD1 3.43Å; F37-I41 VanDerWaalsContact CD1-CD1 3.43Å; F37-I41 HydrophobicContact CD1-CG1 4.28Å; F37-I41 HydrophobicContact CE1-CD1 3.56Å; F37-I41 HydrophobicContact CE1-CG1 4.45Å; F37-I41 HydrophobicContact CG-CD1 4.42Å; F37-I41 WeakPolarHBondContact O-CB 3.43Å; F37-I41 WeakPolarHBondContact O-CG1 3.28Å; F37-I41 PolarHBondContact O-N 3.15Å
38	L	45.7	Very low	58.7	Low	80 Å²	80	97.4 Å²	97.4	42%	0.419	50%	0.496	S	S	.	.	H	α-helix	trans	-67.9	-38.1	168	-83.2	157.5	0	0	0	111.4	V34 L35 I40 I41 I42	V34-L38 HydrophobicContact CG1-CD1 3.67Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CA 3.37Å; V34-L38 WeakPolarHBondContact O-CB 3.47Å; V34-L38 WeakPolarHBondContact O-CD1 3.34Å; V34-L38 WeakPolarHBondContact O-CG 3.48Å; V34-L38 PolarHBondContact O-N 3.27Å; L35-L38 CarbonylContact O-C 3.53Å; L38-I40 VanDerWaalsContact C-N 3.33Å; L38-I41 CarbonylContact O-C 3.55Å; L38-I41 PolarHBondContact O-N 3.36Å; L38-I42 HydrophobicContact CB-CD1 4.42Å; L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 VanDerWaalsContact O-CB 3.29Å; L38-I42 WeakPolarHBondContact O-CB 3.28Å; L38-I42 WeakPolarHBondContact O-CD1 3.37Å; L38-I42 WeakPolarHBondContact O-CG1 3.22Å; L38-I42 PolarHBondContact O-N 3.39Å
39	Q	42.7	Very low	60.6	Low	144 Å²	144	100.3 Å²	100.3	67%	0.673	51%	0.508	S	S	*	.	H	α-helix	trans	-69.1	-30.9	174.1	-109.5	163.6	-8.7	0	0	112.8	L35 I36	L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.42Å; L35-Q39 PolarHBondContact O-N 2.99Å; I36-Q39 CarbonylContact O-C 3.58Å; I36-Q39 PolarHBondContact O-N 3.34Å
40	I	45.8	Very low	62.5	Low	119 Å²	119	95.1 Å²	95.1	61%	0.61	48%	0.483	S	S	*	.	H	α-helix	trans	-77.6	-33.2	173.2	-69.6	165.8	0	0	0	110.6	I36 F37 L38	I36-I40 HydrophobicContact CG2-CD1 3.69Å; I36-I40 HydrophobicContact CG2-CG1 4.4Å; I36-I40 VanDerWaalsContact O-CB 3.32Å; I36-I40 WeakPolarHBondContact O-CB 3.35Å; I36-I40 WeakPolarHBondContact O-CD1 3.49Å; I36-I40 WeakPolarHBondContact O-CG1 3.46Å; I36-I40 PolarHBondContact O-N 3.38Å; F37-I40 PolarHBondContact O-N 3.33Å; L38-I40 VanDerWaalsContact C-N 3.33Å
41	I	44.6	Very low	64.4	Low	107 Å²	107	92 Å²	92	55%	0.549	47%	0.468	S	S	.	.	H	α-helix	trans	-76.2	-29.9	174.2	-74.4	173.2	0	0	0	111.9	F37 L38 K43	F37-I41 HydrophobicContact CD1-CD1 3.43Å; F37-I41 VanDerWaalsContact CD1-CD1 3.43Å; F37-I41 HydrophobicContact CD1-CG1 4.28Å; F37-I41 HydrophobicContact CE1-CD1 3.56Å; F37-I41 HydrophobicContact CE1-CG1 4.45Å; F37-I41 HydrophobicContact CG-CD1 4.42Å; F37-I41 WeakPolarHBondContact O-CB 3.43Å; F37-I41 WeakPolarHBondContact O-CG1 3.28Å; F37-I41 PolarHBondContact O-N 3.15Å; L38-I41 CarbonylContact O-C 3.55Å; L38-I41 PolarHBondContact O-N 3.36Å; I41-K43 PolarHBondContact O-N 3.3Å
42	I	45.4	Very low	66.5	Low	111 Å²	111	88.1 Å²	88.1	57%	0.569	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	39.9	174.6	-51.1	159.1	0	0	0	109.5	L38 H44	L38-I42 HydrophobicContact CB-CD1 4.42Å; L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 VanDerWaalsContact O-CB 3.29Å; L38-I42 WeakPolarHBondContact O-CB 3.28Å; L38-I42 WeakPolarHBondContact O-CD1 3.37Å; L38-I42 WeakPolarHBondContact O-CG1 3.22Å; L38-I42 PolarHBondContact O-N 3.39Å; I42-H44 VanDerWaalsContact C-N 3.34Å
43	K	48	Very low	68.6	Low	148 Å²	148	82.5 Å²	82.5	64%	0.643	43%	0.425	S	S	*	.			trans	-95.7	80.2	152.7	-127.1	-170.7	174.1	-146.5	0	106.1	I41 D45	I41-K43 PolarHBondContact O-N 3.3Å; K43-D45 IonicContact NZ-OD1 3.36Å; K43-D45 PolarHBondContact O-N 2.84Å
44	H	56.6	Low	70.7	Confident	112 Å²	112	79 Å²	79	52%	0.519	40%	0.401	S	S	.	.			trans	-66.9	95.9	158.8	-73.9	-60	0	0	0	105.9	I42 Y46	I42-H44 VanDerWaalsContact C-N 3.34Å; H44-Y46 HydrophobicContact CB-CD2 3.52Å; H44-Y46 HydrophobicContact CB-CE2 3.2Å; H44-Y46 HydrophobicContact CB-CG 4.3Å; H44-Y46 AromaticContact CG-CE2 3.67Å; H44-Y46 AromaticContact CG-CZ 3.88Å; H44-Y46 PolarHBondContact O-N 3.41Å
45	D	74.8	Confident	72.8	Confident	118 Å²	118	75 Å²	75	63%	0.631	38%	0.377	S	S	*	.			trans	-72.7	65.2	172.5	-78.3	-24.5	0	0	0	108.1	K43	K43-D45 IonicContact NZ-OD1 3.36Å; K43-D45 PolarHBondContact O-N 2.84Å
46	Y	91.8	Very high	75.1	Confident	54 Å²	54	70 Å²	70	21%	0.212	35%	0.351	C	S	.	.			trans	-67.4	153.7	163.5	-63.3	-61.1	0	0	0	109	H44 A48 L263 L266 Q267 M305 I307	H44-Y46 HydrophobicContact CB-CD2 3.52Å; H44-Y46 HydrophobicContact CB-CE2 3.2Å; H44-Y46 HydrophobicContact CB-CG 4.3Å; H44-Y46 AromaticContact CG-CE2 3.67Å; H44-Y46 AromaticContact CG-CZ 3.88Å; H44-Y46 PolarHBondContact O-N 3.41Å; Y46-A48 PolarHBondContact O-N 2.95Å; Y46-L263 HydrophobicContact CE1-CD1 3.93Å; Y46-L266 HydrophobicContact CD1-CB 4.07Å; Y46-Q267 HydrophobicContact CD1-CG 4.44Å; Y46-Q267 HydrophobicContact CE1-CG 3.58Å; Y46-M305 HydrophobicContact CD1-CE 3.96Å; Y46-M305 HydrophobicContact CD2-CE 3.81Å; Y46-M305 HydrophobicContact CE1-CE 3.6Å; Y46-M305 HydrophobicContact CE2-CE 3.46Å; Y46-M305 VanDerWaalsContact CE2-CE 3.46Å; Y46-M305 HydrophobicContact CG-CE 4.06Å; Y46-I307 HydrophobicContact CG-CD1 4.14Å
47	P	95	Very high	77.2	Confident	22 Å²	22	65.7 Å²	65.7	14%	0.143	33%	0.329	C	S	.	.			trans	-54.2	133.5	167.2	-21	30.6	0	0	0	110.4	F49 V50 L266 V270 I307	P47-F49 WeakPolarHBondContact CB-O 3.35Å; P47-F49 PolarHBondContact O-N 3.49Å; P47-V50 HydrophobicContact CB-CG2 4.25Å; P47-L266 WeakPolarHBondContact CD-O 3.46Å; P47-L266 HydrophobicContact CG-CD2 4.48Å; P47-V270 WeakPolarHBondContact CG-O 3.33Å; P47-I307 WeakPolarHBondContact O-CG2 3.5Å
48	A	95.1	Very high	79.5	Confident	85 Å²	85	60 Å²	60	70%	0.702	30%	0.303	S	S	*	.	S	Bend	trans	-63.9	-30.4	175.5	0	0	0	0	0	111.8	Y46 E308	Y46-A48 PolarHBondContact O-N 2.95Å; A48-E308 WeakPolarHBondContact O-CB 3.27Å; A48-E308 PolarHBondContact O-N 3.28Å
49	F	98.1	Very high	81.9	Confident	90 Å²	90	57 Å²	57	40%	0.395	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-130.8	138.5	178.7	-176.5	-88.3	0	0	0	110.2	P47 K51 E308 T309	P47-F49 WeakPolarHBondContact CB-O 3.35Å; P47-F49 PolarHBondContact O-N 3.49Å; F49-K51 HydrophobicContact CE1-CB 4.18Å; F49-E308 CarbonylContact C-O 3.58Å; F49-E308 VanDerWaalsContact CA-O 3.27Å; F49-E308 WeakPolarHBondContact CA-O 3.19Å; F49-E308 HydrophobicContact CD2-CB 3.85Å; F49-E308 WeakPolarHBondContact CD2-O 3.46Å; F49-T309 WeakPolarHBondContact CZ-O 3.26Å
50	V	98.8	Very high	84.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.			trans	-121.5	122.9	172.7	170.4	0	0	0	0	109.7	P47 I52 L266 S271 V273 L302 I307 E308	P47-V50 HydrophobicContact CB-CG2 4.25Å; V50-I52 HydrophobicContact CG1-CD1 4.13Å; V50-L266 HydrophobicContact CG1-CD2 4.49Å; V50-L266 HydrophobicContact CG2-CD2 3.49Å; V50-L266 VanDerWaalsContact CG2-CD2 3.49Å; V50-S271 CarbonylContact C-O 3.38Å; V50-S271 WeakPolarHBondContact CA-O 3.32Å; V50-V273 HydrophobicContact CG1-CB 4.38Å; V50-V273 HydrophobicContact CG1-CG2 3.92Å; V50-L302 HydrophobicContact CB-CD1 4.06Å; V50-L302 HydrophobicContact CB-CD2 4.37Å; V50-L302 HydrophobicContact CG1-CD1 3.81Å; V50-L302 HydrophobicContact CG1-CD2 4.5Å; V50-L302 HydrophobicContact CG2-CD2 4.12Å; V50-I307 HydrophobicContact CB-CG2 4.01Å; V50-I307 HydrophobicContact CG2-CG2 3.57Å; V50-E308 PolarHBondContact N-O 3.35Å
51	K	98.8	Very high	86.7	Confident	46 Å²	46	44.7 Å²	44.7	20%	0.2	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	120	173	-174.8	-179.4	68	175.4	0	109.3	F49 V87 E216 S271 V272 V273	F49-K51 HydrophobicContact CE1-CB 4.18Å; K51-V87 HydrophobicContact CD-CG2 4.02Å; K51-V87 HydrophobicContact CG-CG2 4.5Å; K51-E216 IonicContact NZ-OE1 2.68Å; K51-E216 IonicContact NZ-OE2 3.33Å; K51-E216 PolarHBondContact NZ-OE2 3.31Å; K51-S271 PolarHBondContact N-O 3.49Å; K51-V272 HydrophobicContact CB-CG1 4.34Å; K51-V272 HydrophobicContact CB-CG2 4.2Å; K51-V272 WeakPolarHBondContact O-CA 3.36Å; K51-V273 PolarHBondContact O-N 2.97Å
52	I	98.9	Very high	88.9	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128	170.1	-57.2	-58.4	0	0	0	109.2	V50 L85 V273 S275 T295 V298 L299 L302 T309	V50-I52 HydrophobicContact CG1-CD1 4.13Å; I52-L85 HydrophobicContact CB-CD2 3.8Å; I52-L85 HydrophobicContact CG2-CD2 3.61Å; I52-V273 WeakPolarHBondContact CA-O 3.37Å; I52-V273 HydrophobicContact CD1-CB 4.33Å; I52-S275 WeakPolarHBondContact CG2-OG 3.43Å; I52-T295 HydrophobicContact CG2-CG2 4.06Å; I52-V298 HydrophobicContact CD1-CG1 3.79Å; I52-L299 HydrophobicContact CG1-CD2 4.08Å; I52-L302 HydrophobicContact CD1-CD1 3.77Å; I52-T309 HydrophobicContact CG1-CG2 4.46Å
53	V	98.9	Very high	90.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.1	167.7	-178.3	0	0	0	0	108.3	V55 V87 V272 V273 D274 S275	V53-V55 HydrophobicContact CG1-CG1 4.13Å; V53-V55 PolarHBondContact O-N 3Å; V53-V87 HydrophobicContact CB-CB 4.45Å; V53-V87 HydrophobicContact CB-CG1 4.47Å; V53-V87 HydrophobicContact CG1-CB 4.21Å; V53-V87 HydrophobicContact CG1-CG1 3.76Å; V53-V87 HydrophobicContact CG2-CB 4.11Å; V53-V87 HydrophobicContact CG2-CG1 4.24Å; V53-V87 HydrophobicContact CG2-CG2 4.45Å; V53-V272 HydrophobicContact CG2-CG1 3.82Å; V53-V273 PolarHBondContact N-O 3.36Å; V53-D274 WeakPolarHBondContact CB-OD1 3.33Å; V53-D274 WeakPolarHBondContact O-CA 3.39Å; V53-S275 PolarHBondContact O-N 3.13Å
54	E	98.8	Very high	92.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111.8	-178.6	173.1	57.1	-120.5	0	0	110.2	G56 L80 L85 V87 I88 E89 S275 A276 V277 T295	E54-G56 WeakPolarHBondContact OE1-CA 3.32Å; E54-G56 PolarHBondContact OE1-N 3.46Å; E54-L80 HydrophobicContact CG-CD1 3.63Å; E54-L80 HydrophobicContact CG-CD2 4.01Å; E54-L80 HydrophobicContact CG-CG 4.33Å; E54-L85 HydrophobicContact CB-CD1 3.59Å; E54-L85 HydrophobicContact CB-CD2 4.04Å; E54-L85 HydrophobicContact CB-CG 4.4Å; E54-L85 HydrophobicContact CG-CD1 3.82Å; E54-V87 PolarHBondContact N-O 2.97Å; E54-I88 HydrophobicContact CB-CG1 4.35Å; E54-I88 HydrophobicContact CG-CG2 4.44Å; E54-I88 CarbonylContact O-C 3.51Å; E54-I88 WeakPolarHBondContact O-CA 3.35Å; E54-E89 PolarHBondContact O-N 2.86Å; E54-S275 WeakPolarHBondContact CA-O 3.35Å; E54-A276 WeakPolarHBondContact OE1-CA 3.47Å; E54-V277 PolarHBondContact OE1-N 2.93Å; E54-V277 PolarHBondContact OE2-N 3.38Å; E54-V277 VanDerWaalsContact OE2-N 3.16Å; E54-T295 WeakPolarHBondContact OE2-CB 3.34Å; E54-T295 PolarHBondContact OE2-OG1 2.79Å
55	V	98.7	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.			trans	-104.3	2.4	-176.4	-58.7	0	0	0	0	113.5	V53 R58 D59 G60 E89 D274 S275 A276	V53-V55 HydrophobicContact CG1-CG1 4.13Å; V53-V55 PolarHBondContact O-N 3Å; V55-R58 CarbonylContact O-C 3.51Å; V55-R58 PolarHBondContact O-N 2.86Å; V55-D59 HydrophobicContact CB-CB 3.98Å; V55-D59 HydrophobicContact CG2-CB 4.02Å; V55-D59 PolarHBondContact O-N 3.4Å; V55-G60 PolarHBondContact O-N 3.14Å; V55-E89 HydrophobicContact CB-CB 4.48Å; V55-E89 HydrophobicContact CG1-CB 4.19Å; V55-D274 HydrophobicContact CG1-CB 4.28Å; V55-S275 WeakPolarHBondContact CG2-O 3.07Å; V55-S275 PolarHBondContact N-O 3.04Å; V55-A276 HydrophobicContact CG2-CB 4.27Å
56	G	98.1	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-52.4	-47.2	-178.7	0	0	0	0	0	114.8	E54 R58 G60 L61	E54-G56 WeakPolarHBondContact OE1-CA 3.32Å; E54-G56 PolarHBondContact OE1-N 3.46Å; G56-R58 VanDerWaalsContact C-N 3.29Å; G56-R58 PolarHBondContact O-N 3.15Å; G56-G60 CarbonylContact O-C 3.54Å; G56-G60 VanDerWaalsContact O-CA 3.25Å; G56-G60 WeakPolarHBondContact O-CA 3.22Å; G56-G60 PolarHBondContact O-N 3.2Å; G56-L61 PolarHBondContact O-N 3.24Å
57	P	98.3	Very high	94.4	Very high	2 Å²	2	40 Å²	40	1%	0.013	20%	0.203	C	C	.	.	I	π-helix	trans	-65.3	-27.9	-179.2	-23.1	34.5	0	0	0	114.6	L76 I77 L80 I88	P57-L76 HydrophobicContact CB-CD2 4.19Å; P57-L76 HydrophobicContact CG-CD2 3.98Å; P57-L76 HydrophobicContact CG-CG 4.22Å; P57-I77 HydrophobicContact CB-CD1 3.97Å; P57-I77 HydrophobicContact CB-CG1 3.59Å; P57-I77 HydrophobicContact CG-CG1 3.66Å; P57-L80 HydrophobicContact CG-CD1 3.56Å; P57-I88 HydrophobicContact CG-CG2 3.86Å
58	R	97.4	Very high	94.4	Very high	17 Å²	17	39.3 Å²	39.3	6%	0.064	20%	0.198	C	C	.	.	I	π-helix	trans	-99.2	-78.5	176.3	-168.1	-78.1	-67.4	170.7	1.6	111.2	V55 G56 G60 L61 Q62 E89 T91	V55-R58 CarbonylContact O-C 3.51Å; V55-R58 PolarHBondContact O-N 2.86Å; G56-R58 VanDerWaalsContact C-N 3.29Å; G56-R58 PolarHBondContact O-N 3.15Å; R58-G60 VanDerWaalsContact C-N 3.34Å; R58-G60 PolarHBondContact O-N 2.65Å; R58-L61 PolarHBondContact O-N 3.2Å; R58-Q62 WeakPolarHBondContact O-CB 3.5Å; R58-Q62 PolarHBondContact O-N 3.44Å; R58-E89 HydrophobicContact CB-CB 4.3Å; R58-E89 HydrophobicContact CB-CG 3.89Å; R58-E89 WeakPolarHBondContact CB-O 3.41Å; R58-E89 HydrophobicContact CG-CG 4.25Å; R58-E89 IonicContact CZ-OE1 3.9Å; R58-E89 IonicContact CZ-OE2 2.72Å; R58-E89 PolarHBondContact N-O 3.35Å; R58-E89 IonicContact NE-OE1 3.58Å; R58-E89 IonicContact NE-OE2 3.18Å; R58-E89 PolarHBondContact NE-OE2 2.66Å; R58-E89 VanDerWaalsContact NH2-CD 3.32Å; R58-E89 IonicContact NH2-OE1 3.59Å; R58-E89 PolarHBondContact NH2-OE1 2.67Å; R58-E89 IonicContact NH2-OE2 3.82Å; R58-E89 PolarHBondContact NH2-OE2 3.08Å; R58-T91 VanDerWaalsContact CG-C 3.42Å; R58-T91 WeakPolarHBondContact CG-O 3.41Å
59	D	95.3	Very high	94.6	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.091	19%	0.186	C	C	.	.	I	π-helix	trans	-65.6	-39	-171.4	-164.6	66.8	0	0	0	112.4	V55 N63 H250 H252 N292	V55-D59 HydrophobicContact CB-CB 3.98Å; V55-D59 HydrophobicContact CG2-CB 4.02Å; V55-D59 PolarHBondContact O-N 3.4Å; D59-N63 PolarHBondContact O-ND2 3.45Å; D59-H250 IonicContact OD2-CE1 2.91Å; D59-H252 IonicContact OD2-NE2 3.63Å; D59-N292 PolarHBondContact OD2-ND2 2.8Å; D59-N292 PolarHBondContact OD2-OD1 3.23Å
60	G	94.8	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-60.7	-59.3	174.8	0	0	0	0	0	111.8	V55 G56 R58 Q62 N63 G281	V55-G60 PolarHBondContact O-N 3.14Å; G56-G60 CarbonylContact O-C 3.54Å; G56-G60 VanDerWaalsContact O-CA 3.25Å; G56-G60 WeakPolarHBondContact O-CA 3.22Å; G56-G60 PolarHBondContact O-N 3.2Å; R58-G60 VanDerWaalsContact C-N 3.34Å; R58-G60 PolarHBondContact O-N 2.65Å; G60-Q62 VanDerWaalsContact C-N 3.31Å; G60-Q62 PolarHBondContact O-N 3.23Å; G60-N63 PolarHBondContact O-N 3.27Å; G60-G281 WeakPolarHBondContact O-CA 3.37Å; G60-G281 PolarHBondContact O-N 3.25Å
61	L	95.1	Very high	94.6	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-68.4	-26.1	-178.1	-65.8	-173.7	0	0	0	114.2	G56 R58 N63 E64 V68 K73 L76 M102 L280 I323 L327	G56-L61 PolarHBondContact O-N 3.24Å; R58-L61 PolarHBondContact O-N 3.2Å; L61-N63 PolarHBondContact O-N 3.5Å; L61-E64 HydrophobicContact CD2-CG 4.25Å; L61-E64 PolarHBondContact O-N 2.84Å; L61-V68 HydrophobicContact CD2-CG2 3.96Å; L61-K73 HydrophobicContact CD1-CD 4.35Å; L61-K73 HydrophobicContact CD1-CG 3.79Å; L61-L76 HydrophobicContact CD1-CD2 4.06Å; L61-M102 HydrophobicContact CB-CE 3.89Å; L61-L280 HydrophobicContact CD2-CD1 4.31Å; L61-L280 HydrophobicContact CD2-CD2 4.13Å; L61-I323 HydrophobicContact CD2-CD1 4.19Å; L61-I323 HydrophobicContact CD2-CG1 4.28Å; L61-L327 HydrophobicContact CD2-CD1 4.28Å
62	Q	90.7	Very high	94.6	Very high	44 Å²	44	43.1 Å²	43.1	21%	0.206	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-32.7	-179.1	174.1	169.1	-38.5	0	0	112.5	R58 G60 V99 M102	R58-Q62 WeakPolarHBondContact O-CB 3.5Å; R58-Q62 PolarHBondContact O-N 3.44Å; G60-Q62 VanDerWaalsContact C-N 3.31Å; G60-Q62 PolarHBondContact O-N 3.23Å; Q62-V99 HydrophobicContact CG-CG1 3.67Å; Q62-M102 HydrophobicContact CB-CE 4.33Å
63	N	83.8	Confident	94.6	Very high	57 Å²	57	43.2 Å²	43.2	31%	0.305	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.4	-178.4	-64.3	-58.4	0	0	0	113.4	D59 G60 L61	D59-N63 PolarHBondContact O-ND2 3.45Å; G60-N63 PolarHBondContact O-N 3.27Å; L61-N63 PolarHBondContact O-N 3.5Å
64	E	87.4	Confident	94.6	Very high	23 Å²	23	44.8 Å²	44.8	11%	0.107	21%	0.213	C	C	.	.			trans	-73.5	144.2	173.7	-70	-67.2	172.2	0	0	111.1	L61 Q101 L280 G281 L327 R329	L61-E64 HydrophobicContact CD2-CG 4.25Å; L61-E64 PolarHBondContact O-N 2.84Å; E64-Q101 PolarHBondContact O-NE2 3.32Å; E64-Q101 VanDerWaalsContact O-NE2 3.13Å; E64-L280 HydrophobicContact CG-CD2 4.4Å; E64-L280 WeakPolarHBondContact OE1-CD2 3.38Å; E64-G281 PolarHBondContact OE1-N 3.29Å; E64-L327 HydrophobicContact CB-CD2 4.25Å; E64-L327 HydrophobicContact CG-CD1 4.09Å; E64-L327 HydrophobicContact CG-CD2 4.26Å; E64-R329 IonicContact OE1-CZ 3.1Å; E64-R329 IonicContact OE1-NE 2.78Å; E64-R329 PolarHBondContact OE1-NE 3.18Å; E64-R329 IonicContact OE1-NH2 2.67Å; E64-R329 PolarHBondContact OE1-NH2 2.98Å; E64-R329 IonicContact OE2-NE 2.72Å
65	K	83.4	Confident	94.6	Very high	194 Å²	194	48.8 Å²	48.8	84%	0.843	23%	0.232	S	C	*	.	S	Bend	trans	-69.2	-40.2	-178.7	-66.7	-178.4	-179	177.1	0	112
66	E	86.1	Confident	94.6	Very high	131 Å²	131	48.8 Å²	48.8	61%	0.612	23%	0.232	S	C	*	.	S	Bend	trans	-90.4	136.4	-178.3	-61.6	-58.1	145.9	0	0	110.3	V68 L327	E66-V68 PolarHBondContact O-N 2.76Å; E66-L327 HydrophobicContact CB-CD2 4.39Å
67	I	91.9	Very high	94.6	Very high	103 Å²	103	48.8 Å²	48.8	53%	0.528	23%	0.232	S	C	.	.			trans	-79.3	110.6	174.4	-60.7	176.9	0	0	0	108.4	P100	I67-P100 HydrophobicContact CD1-CB 4.19Å
68	V	95.1	Very high	94.6	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.042	24%	0.239	C	C	.	.			trans	-70.4	130.5	175.7	178.8	0	0	0	0	110.1	L61 E66 V72 K73 I323 L327	L61-V68 HydrophobicContact CD2-CG2 3.96Å; E66-V68 PolarHBondContact O-N 2.76Å; V68-V72 HydrophobicContact CG1-CB 3.51Å; V68-V72 HydrophobicContact CG1-CG1 3.37Å; V68-K73 HydrophobicContact CB-CG 4.32Å; V68-K73 HydrophobicContact CG1-CG 4Å; V68-K73 WeakPolarHBondContact O-CE 3.35Å; V68-K73 PolarHBondContact O-NZ 3.35Å; V68-I323 HydrophobicContact CG1-CD1 4.25Å; V68-I323 HydrophobicContact CG2-CD1 4.48Å; V68-L327 HydrophobicContact CG2-CD2 3.33Å; V68-L327 HydrophobicContact CG2-CG 3.97Å
69	P	97.8	Very high	94.7	Very high	70 Å²	70	51 Å²	51	46%	0.455	24%	0.244	S	C	.	.			trans	-59.8	146.1	177.1	-24.6	34	0	0	0	112.9	R71 V72 K73	P69-R71 VanDerWaalsContact C-N 3.28Å; P69-R71 HydrophobicContact CB-CG 4.38Å; P69-R71 PolarHBondContact O-N 3.31Å; P69-R71 VanDerWaalsContact O-N 3.15Å; P69-V72 HydrophobicContact CB-CG2 4.33Å; P69-V72 HydrophobicContact CG-CG2 4.43Å; P69-V72 WeakPolarHBondContact O-CA 3.44Å; P69-V72 WeakPolarHBondContact O-CB 3.4Å; P69-V72 PolarHBondContact O-N 2.91Å; P69-K73 PolarHBondContact O-N 2.9Å
70	T	98.5	Very high	94.9	Very high	42 Å²	42	50.2 Å²	50.2	26%	0.258	24%	0.24	S	C	.	.	H	α-helix	trans	-50.1	-44.2	-178.8	-47	0	0	0	0	113.5	V72 K73 I74 D104 D107 V108	T70-V72 PolarHBondContact O-N 3.42Å; T70-K73 WeakPolarHBondContact O-CB 3.27Å; T70-K73 PolarHBondContact O-N 2.71Å; T70-K73 VanDerWaalsContact O-N 3.14Å; T70-I74 HydrophobicContact CG2-CD1 4Å; T70-I74 WeakPolarHBondContact O-CG1 3.27Å; T70-I74 PolarHBondContact O-N 3.33Å; T70-D104 WeakPolarHBondContact CA-OD2 3.5Å; T70-D104 VanDerWaalsContact CB-OD2 3.28Å; T70-D104 WeakPolarHBondContact CB-OD2 3.4Å; T70-D104 HydrophobicContact CG2-CB 4.07Å; T70-D104 WeakPolarHBondContact OG1-CB 3.37Å; T70-D104 PolarHBondContact OG1-OD2 3.28Å; T70-D107 HydrophobicContact CG2-CB 3.85Å; T70-V108 HydrophobicContact CG2-CG2 3.97Å
71	R	98.4	Very high	95	Very high	181 Å²	181	50.3 Å²	50.3	68%	0.683	24%	0.241	S	C	*	.	H	α-helix	trans	-59.2	-33.6	177.7	71.2	-177.8	179.5	91	0.4	113.4	P69 Q75	P69-R71 VanDerWaalsContact C-N 3.28Å; P69-R71 HydrophobicContact CB-CG 4.38Å; P69-R71 PolarHBondContact O-N 3.31Å; P69-R71 VanDerWaalsContact O-N 3.15Å; R71-Q75 WeakPolarHBondContact O-CB 3.48Å; R71-Q75 PolarHBondContact O-N 2.63Å
72	V	98.6	Very high	95.2	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-76.3	-37.9	179.6	175.7	0	0	0	0	109.8	V68 P69 T70 Q75 L76 F322 I323 A326	V68-V72 HydrophobicContact CG1-CB 3.51Å; V68-V72 HydrophobicContact CG1-CG1 3.37Å; P69-V72 HydrophobicContact CB-CG2 4.33Å; P69-V72 HydrophobicContact CG-CG2 4.43Å; P69-V72 WeakPolarHBondContact O-CA 3.44Å; P69-V72 WeakPolarHBondContact O-CB 3.4Å; P69-V72 PolarHBondContact O-N 2.91Å; T70-V72 PolarHBondContact O-N 3.42Å; V72-Q75 PolarHBondContact O-N 3.16Å; V72-L76 WeakPolarHBondContact O-CB 3.48Å; V72-L76 PolarHBondContact O-N 3.49Å; V72-F322 HydrophobicContact CG1-CE1 3.98Å; V72-F322 HydrophobicContact CG1-CZ 3.82Å; V72-I323 HydrophobicContact CG1-CD1 3.95Å; V72-A326 HydrophobicContact CG1-CB 3.67Å
73	K	98.8	Very high	95.5	Very high	7 Å²	7	52 Å²	52	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-45.6	173.4	-62.3	-179.4	-179.9	147.7	0	112.1	L61 V68 P69 T70 L76 I77 Q101 D104 V108	L61-K73 HydrophobicContact CD1-CD 4.35Å; L61-K73 HydrophobicContact CD1-CG 3.79Å; V68-K73 HydrophobicContact CB-CG 4.32Å; V68-K73 HydrophobicContact CG1-CG 4Å; V68-K73 WeakPolarHBondContact O-CE 3.35Å; V68-K73 PolarHBondContact O-NZ 3.35Å; P69-K73 PolarHBondContact O-N 2.9Å; T70-K73 WeakPolarHBondContact O-CB 3.27Å; T70-K73 PolarHBondContact O-N 2.71Å; T70-K73 VanDerWaalsContact O-N 3.14Å; K73-L76 WeakPolarHBondContact O-CB 3.47Å; K73-L76 PolarHBondContact O-N 2.94Å; K73-I77 WeakPolarHBondContact O-CG1 3.3Å; K73-I77 PolarHBondContact O-N 3.23Å; K73-Q101 WeakPolarHBondContact CE-O 3.3Å; K73-Q101 PolarHBondContact NZ-O 2.95Å; K73-D104 IonicContact NZ-OD1 3.94Å; K73-D104 PolarHBondContact NZ-OD1 3.14Å; K73-D104 IonicContact NZ-OD2 2.74Å; K73-D104 PolarHBondContact NZ-OD2 2.84Å; K73-V108 HydrophobicContact CB-CG2 4.04Å; K73-V108 HydrophobicContact CD-CG2 4.03Å
74	I	98.8	Very high	96.2	Very high	32 Å²	32	50.2 Å²	50.2	16%	0.164	25%	0.25	C	C	.	.	H	α-helix	trans	-58.5	-51.4	175.2	-69.2	164.1	0	0	0	109.7	T70 L76 I77 D78 G111 I112	T70-I74 HydrophobicContact CG2-CD1 4Å; T70-I74 WeakPolarHBondContact O-CG1 3.27Å; T70-I74 PolarHBondContact O-N 3.33Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 3.32Å; I74-I77 PolarHBondContact O-N 2.82Å; I74-I77 VanDerWaalsContact O-N 3.17Å; I74-D78 VanDerWaalsContact O-CG 3.32Å; I74-D78 PolarHBondContact O-N 3.21Å; I74-G111 WeakPolarHBondContact CG2-O 3.39Å; I74-I112 HydrophobicContact CB-CG2 4.49Å; I74-I112 HydrophobicContact CG1-CG2 4.39Å; I74-I112 HydrophobicContact CG2-CG2 4.3Å
75	Q	98.8	Very high	96.8	Very high	84 Å²	84	49.2 Å²	49.2	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-60.5	-38.7	179.1	-176.4	174.3	-2.5	0	0	112.5	R71 V72 D78 M79 F322	R71-Q75 WeakPolarHBondContact O-CB 3.48Å; R71-Q75 PolarHBondContact O-N 2.63Å; V72-Q75 PolarHBondContact O-N 3.16Å; Q75-D78 PolarHBondContact O-N 3.49Å; Q75-M79 HydrophobicContact CG-CG 4.39Å; Q75-M79 HydrophobicContact CG-SD 4.16Å; Q75-M79 WeakPolarHBondContact O-CB 3.42Å; Q75-M79 VanDerWaalsContact O-CG 3.24Å; Q75-M79 WeakPolarHBondContact O-CG 3.21Å; Q75-M79 PolarHBondContact O-N 3.06Å; Q75-F322 HydrophobicContact CB-CE1 4.17Å; Q75-F322 HydrophobicContact CB-CZ 3.81Å; Q75-F322 HydrophobicContact CG-CE1 3.99Å; Q75-F322 HydrophobicContact CG-CE2 4.06Å; Q75-F322 HydrophobicContact CG-CZ 3.56Å
76	L	98.8	Very high	97.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-50.8	174.5	168.5	65.2	0	0	0	111	P57 L61 V72 K73 I74 D78 M79 L80 V277 T319 F322 I323	P57-L76 HydrophobicContact CB-CD2 4.19Å; P57-L76 HydrophobicContact CG-CD2 3.98Å; P57-L76 HydrophobicContact CG-CG 4.22Å; L61-L76 HydrophobicContact CD1-CD2 4.06Å; V72-L76 WeakPolarHBondContact O-CB 3.48Å; V72-L76 PolarHBondContact O-N 3.49Å; K73-L76 WeakPolarHBondContact O-CB 3.47Å; K73-L76 PolarHBondContact O-N 2.94Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 3.32Å; L76-D78 VanDerWaalsContact C-N 3.35Å; L76-D78 PolarHBondContact O-N 2.96Å; L76-M79 PolarHBondContact O-N 2.92Å; L76-L80 HydrophobicContact CD1-CD1 3.92Å; L76-L80 HydrophobicContact CD1-CG 4.14Å; L76-L80 HydrophobicContact CG-CD1 4.02Å; L76-L80 WeakPolarHBondContact O-CB 3.24Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.3Å; L76-L80 PolarHBondContact O-N 2.81Å; L76-V277 HydrophobicContact CD1-CG1 4.11Å; L76-T319 HydrophobicContact CD1-CG2 3.59Å; L76-F322 HydrophobicContact CB-CE1 4.19Å; L76-I323 HydrophobicContact CD1-CB 4.04Å; L76-I323 HydrophobicContact CD1-CG1 4.42Å; L76-I323 HydrophobicContact CD1-CG2 4.21Å; L76-I323 HydrophobicContact CD2-CD1 4.12Å; L76-I323 HydrophobicContact CD2-CG1 4.05Å
77	I	98.8	Very high	98	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-41.1	-179.4	-65.3	161.4	0	0	0	110.9	P57 K73 I74 L80 S81 I88 A90 V108 I112 Y120	P57-I77 HydrophobicContact CB-CD1 3.97Å; P57-I77 HydrophobicContact CB-CG1 3.59Å; P57-I77 HydrophobicContact CG-CG1 3.66Å; K73-I77 WeakPolarHBondContact O-CG1 3.3Å; K73-I77 PolarHBondContact O-N 3.23Å; I74-I77 PolarHBondContact O-N 2.82Å; I74-I77 VanDerWaalsContact O-N 3.17Å; I77-L80 PolarHBondContact O-N 3.28Å; I77-S81 WeakPolarHBondContact O-CB 3.27Å; I77-S81 PolarHBondContact O-N 2.95Å; I77-S81 PolarHBondContact O-OG 3.15Å; I77-I88 HydrophobicContact CG2-CG2 4.26Å; I77-A90 HydrophobicContact CD1-CB 4Å; I77-V108 HydrophobicContact CD1-CG1 3.49Å; I77-V108 VanDerWaalsContact CD1-CG1 3.49Å; I77-I112 HydrophobicContact CB-CG2 3.76Å; I77-I112 HydrophobicContact CD1-CG2 3.78Å; I77-I112 HydrophobicContact CG1-CG2 4.39Å; I77-I112 HydrophobicContact CG2-CB 4.22Å; I77-I112 HydrophobicContact CG2-CD1 4.22Å; I77-I112 HydrophobicContact CG2-CG2 3.66Å; I77-Y120 HydrophobicContact CG2-CD1 3.91Å; I77-Y120 HydrophobicContact CG2-CE1 3.69Å
78	D	98.8	Very high	98.4	Very high	30 Å²	30	31.5 Å²	31.5	16%	0.16	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-44.1	177.7	-70.9	-8.7	0	0	0	111.1	I74 Q75 L76 S81 I112 Q113	I74-D78 VanDerWaalsContact O-CG 3.32Å; I74-D78 PolarHBondContact O-N 3.21Å; Q75-D78 PolarHBondContact O-N 3.49Å; L76-D78 VanDerWaalsContact C-N 3.35Å; L76-D78 PolarHBondContact O-N 2.96Å; D78-S81 WeakPolarHBondContact O-CB 3.41Å; D78-S81 PolarHBondContact O-N 3.42Å; D78-I112 WeakPolarHBondContact OD1-CA 3.45Å; D78-Q113 PolarHBondContact OD1-N 2.97Å
79	M	98.8	Very high	98.6	Very high	36 Å²	36	31.2 Å²	31.2	18%	0.177	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-48.7	175.4	-73.5	179.4	73.5	0	0	111.3	Q75 L76 S81 T82 E318 T319 F322	Q75-M79 HydrophobicContact CG-CG 4.39Å; Q75-M79 HydrophobicContact CG-SD 4.16Å; Q75-M79 WeakPolarHBondContact O-CB 3.42Å; Q75-M79 VanDerWaalsContact O-CG 3.24Å; Q75-M79 WeakPolarHBondContact O-CG 3.21Å; Q75-M79 PolarHBondContact O-N 3.06Å; L76-M79 PolarHBondContact O-N 2.92Å; M79-S81 PolarHBondContact O-N 2.85Å; M79-T82 PolarHBondContact O-N 2.92Å; M79-T82 PolarHBondContact O-OG1 3.07Å; M79-E318 HydrophobicContact CE-CG 4.16Å; M79-T319 HydrophobicContact CB-CG2 3.7Å; M79-F322 HydrophobicContact CE-CB 3.97Å; M79-F322 HydrophobicContact CE-CG 4.35Å; M79-F322 HydrophobicContact SD-CB 3.98Å; M79-F322 HydrophobicContact SD-CD1 3.73Å; M79-F322 HydrophobicContact SD-CD2 4.22Å; M79-F322 HydrophobicContact SD-CE1 4.29Å; M79-F322 HydrophobicContact SD-CG 3.69Å
80	L	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.7	-37.8	175.8	-72.2	170.7	0	0	0	111.9	E54 P57 L76 I77 T82 T83 L85 I88 V277 T319	E54-L80 HydrophobicContact CG-CD1 3.63Å; E54-L80 HydrophobicContact CG-CD2 4.01Å; E54-L80 HydrophobicContact CG-CG 4.33Å; P57-L80 HydrophobicContact CG-CD1 3.56Å; L76-L80 HydrophobicContact CD1-CD1 3.92Å; L76-L80 HydrophobicContact CD1-CG 4.14Å; L76-L80 HydrophobicContact CG-CD1 4.02Å; L76-L80 WeakPolarHBondContact O-CB 3.24Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.3Å; L76-L80 PolarHBondContact O-N 2.81Å; I77-L80 PolarHBondContact O-N 3.28Å; L80-T82 PolarHBondContact O-N 3.11Å; L80-T82 VanDerWaalsContact O-N 3.13Å; L80-T83 WeakPolarHBondContact O-CB 3.48Å; L80-T83 WeakPolarHBondContact O-CG2 3.44Å; L80-T83 PolarHBondContact O-N 3.45Å; L80-T83 VanDerWaalsContact O-N 3.07Å; L80-T83 PolarHBondContact O-OG1 2.93Å; L80-L85 HydrophobicContact CB-CD1 4.19Å; L80-L85 HydrophobicContact CD2-CD1 3.94Å; L80-I88 HydrophobicContact CB-CD1 3.61Å; L80-I88 HydrophobicContact CB-CG1 4.34Å; L80-I88 HydrophobicContact CD1-CG2 4.11Å; L80-V277 HydrophobicContact CD2-CB 4.14Å; L80-V277 HydrophobicContact CD2-CG1 4.32Å; L80-V277 HydrophobicContact CD2-CG2 4.29Å; L80-T319 HydrophobicContact CD2-CG2 3.69Å; L80-T319 HydrophobicContact CG-CG2 3.73Å
81	S	98.6	Very high	98.6	Very high	2 Å²	2	26 Å²	26	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-17.6	179.1	-57.9	0	0	0	0	113.6	I77 D78 M79 I88 Y120	I77-S81 WeakPolarHBondContact O-CB 3.27Å; I77-S81 PolarHBondContact O-N 2.95Å; I77-S81 PolarHBondContact O-OG 3.15Å; D78-S81 WeakPolarHBondContact O-CB 3.41Å; D78-S81 PolarHBondContact O-N 3.42Å; M79-S81 PolarHBondContact O-N 2.85Å; S81-I88 WeakPolarHBondContact OG-CD1 3.48Å; S81-Y120 WeakPolarHBondContact CB-OH 3.39Å; S81-Y120 WeakPolarHBondContact OG-CE1 3.5Å; S81-Y120 PolarHBondContact OG-OH 3.38Å
82	T	98	Very high	98.5	Very high	80 Å²	80	17.4 Å²	17.4	49%	0.491	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	0.3	177.8	73.5	0	0	0	0	114.1	M79 L80 K315	M79-T82 PolarHBondContact O-N 2.92Å; M79-T82 PolarHBondContact O-OG1 3.07Å; L80-T82 PolarHBondContact O-N 3.11Å; L80-T82 VanDerWaalsContact O-N 3.13Å; T82-K315 VanDerWaalsContact O-CD 3.27Å; T82-K315 WeakPolarHBondContact O-CD 3.4Å; T82-K315 PolarHBondContact O-NZ 3.45Å
83	T	98.4	Very high	98.5	Very high	4 Å²	4	17.2 Å²	17.2	3%	0.025	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-19.6	-178.1	66.5	0	0	0	0	112.8	L80 L85 V311 N312 K315 V316	L80-T83 WeakPolarHBondContact O-CB 3.48Å; L80-T83 WeakPolarHBondContact O-CG2 3.44Å; L80-T83 PolarHBondContact O-N 3.45Å; L80-T83 VanDerWaalsContact O-N 3.07Å; L80-T83 PolarHBondContact O-OG1 2.93Å; T83-L85 WeakPolarHBondContact OG1-CD1 3.41Å; T83-L85 VanDerWaalsContact OG1-CG 3.26Å; T83-L85 WeakPolarHBondContact OG1-CG 3.31Å; T83-L85 PolarHBondContact OG1-N 2.93Å; T83-V311 CarbonylContact O-C 3.46Å; T83-V311 WeakPolarHBondContact O-CA 3.48Å; T83-N312 WeakPolarHBondContact O-CB 3.27Å; T83-N312 PolarHBondContact O-N 3.46Å; T83-K315 HydrophobicContact CG2-CB 3.88Å; T83-V316 HydrophobicContact CG2-CG2 3.8Å
84	G	98.2	Very high	98.2	Very high	20 Å²	20	18 Å²	18	21%	0.206	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.1	1.8	-170.5	0	0	0	0	0	114	C86	G84-C86 PolarHBondContact O-N 3.24Å
85	L	98.6	Very high	97.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	12%	0.118	C	C	.	.			trans	-58	133.2	167.7	-75.2	164.8	0	0	0	111	I52 E54 L80 T83 I88 V118 V311	I52-L85 HydrophobicContact CB-CD2 3.8Å; I52-L85 HydrophobicContact CG2-CD2 3.61Å; E54-L85 HydrophobicContact CB-CD1 3.59Å; E54-L85 HydrophobicContact CB-CD2 4.04Å; E54-L85 HydrophobicContact CB-CG 4.4Å; E54-L85 HydrophobicContact CG-CD1 3.82Å; L80-L85 HydrophobicContact CB-CD1 4.19Å; L80-L85 HydrophobicContact CD2-CD1 3.94Å; T83-L85 WeakPolarHBondContact OG1-CD1 3.41Å; T83-L85 VanDerWaalsContact OG1-CG 3.26Å; T83-L85 WeakPolarHBondContact OG1-CG 3.31Å; T83-L85 PolarHBondContact OG1-N 2.93Å; L85-I88 HydrophobicContact CB-CD1 4.43Å; L85-I88 HydrophobicContact CB-CG1 4.15Å; L85-I88 HydrophobicContact CD1-CG1 4.3Å; L85-V118 WeakPolarHBondContact O-CG2 3.48Å; L85-V311 HydrophobicContact CD2-CG1 4.3Å; L85-V311 HydrophobicContact CD2-CG2 3.88Å; L85-V311 HydrophobicContact CG-CG1 4.09Å; L85-V311 HydrophobicContact CG-CG2 4.2Å
86	C	97.9	Very high	97.5	Very high	50 Å²	50	18.6 Å²	18.6	34%	0.338	12%	0.121	S	C	.	.	S	Bend	trans	-91.2	-18.1	177.5	-59.7	0	0	0	0	113.2	G84 V118 Q119	G84-C86 PolarHBondContact O-N 3.24Å; C86-V118 WeakPolarHBondContact O-CA 3.19Å; C86-Q119 PolarHBondContact O-N 3.21Å
87	V	98.8	Very high	97	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.7	-178.5	-170.6	0	0	0	0	109.6	K51 V53 E54 Q119 P121	K51-V87 HydrophobicContact CD-CG2 4.02Å; K51-V87 HydrophobicContact CG-CG2 4.5Å; V53-V87 HydrophobicContact CB-CB 4.45Å; V53-V87 HydrophobicContact CB-CG1 4.47Å; V53-V87 HydrophobicContact CG1-CB 4.21Å; V53-V87 HydrophobicContact CG1-CG1 3.76Å; V53-V87 HydrophobicContact CG2-CB 4.11Å; V53-V87 HydrophobicContact CG2-CG1 4.24Å; V53-V87 HydrophobicContact CG2-CG2 4.45Å; E54-V87 PolarHBondContact N-O 2.97Å; V87-Q119 WeakPolarHBondContact CA-O 3.38Å; V87-Q119 HydrophobicContact CG2-CB 4.47Å; V87-P121 HydrophobicContact CG1-CG 3.59Å
88	I	98.9	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	111.9	177.4	-57.6	167.9	0	0	0	108.4	E54 P57 I77 L80 S81 L85 A90 V118 Q119 Y120 P121	E54-I88 HydrophobicContact CB-CG1 4.35Å; E54-I88 HydrophobicContact CG-CG2 4.44Å; E54-I88 CarbonylContact O-C 3.51Å; E54-I88 WeakPolarHBondContact O-CA 3.35Å; P57-I88 HydrophobicContact CG-CG2 3.86Å; I77-I88 HydrophobicContact CG2-CG2 4.26Å; L80-I88 HydrophobicContact CB-CD1 3.61Å; L80-I88 HydrophobicContact CB-CG1 4.34Å; L80-I88 HydrophobicContact CD1-CG2 4.11Å; S81-I88 WeakPolarHBondContact OG-CD1 3.48Å; L85-I88 HydrophobicContact CB-CD1 4.43Å; L85-I88 HydrophobicContact CB-CG1 4.15Å; L85-I88 HydrophobicContact CD1-CG1 4.3Å; I88-A90 PolarHBondContact O-N 3.47Å; I88-V118 HydrophobicContact CD1-CG1 3.79Å; I88-V118 HydrophobicContact CG1-CG1 4.01Å; I88-Q119 PolarHBondContact N-O 3.31Å; I88-Y120 HydrophobicContact CB-CD1 4.25Å; I88-Y120 HydrophobicContact CB-CE1 4.44Å; I88-Y120 HydrophobicContact CD1-CE1 4.19Å; I88-Y120 VanDerWaalsContact O-CA 3.32Å; I88-Y120 WeakPolarHBondContact O-CA 3.47Å; I88-P121 WeakPolarHBondContact O-CD 3.21Å
89	E	98.8	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.			trans	-72.2	105.3	177	-163	179.8	-128.6	0	0	110.2	E54 V55 R58 P121 Y184	E54-E89 PolarHBondContact O-N 2.86Å; V55-E89 HydrophobicContact CB-CB 4.48Å; V55-E89 HydrophobicContact CG1-CB 4.19Å; R58-E89 HydrophobicContact CB-CB 4.3Å; R58-E89 HydrophobicContact CB-CG 3.89Å; R58-E89 WeakPolarHBondContact CB-O 3.41Å; R58-E89 HydrophobicContact CG-CG 4.25Å; R58-E89 IonicContact CZ-OE1 3.9Å; R58-E89 IonicContact CZ-OE2 2.72Å; R58-E89 PolarHBondContact N-O 3.35Å; R58-E89 IonicContact NE-OE1 3.58Å; R58-E89 IonicContact NE-OE2 3.18Å; R58-E89 PolarHBondContact NE-OE2 2.66Å; R58-E89 VanDerWaalsContact NH2-CD 3.32Å; R58-E89 IonicContact NH2-OE1 3.59Å; R58-E89 PolarHBondContact NH2-OE1 2.67Å; R58-E89 IonicContact NH2-OE2 3.82Å; R58-E89 PolarHBondContact NH2-OE2 3.08Å; E89-P121 CarbonylContact C-O 3.56Å; E89-P121 WeakPolarHBondContact CA-O 3.39Å; E89-P121 HydrophobicContact CB-CG 4.32Å; E89-P121 HydrophobicContact CG-CG 4.41Å; E89-Y184 VanDerWaalsContact OE1-CE2 3.31Å; E89-Y184 WeakPolarHBondContact OE1-CE2 3.44Å; E89-Y184 VanDerWaalsContact OE1-CZ 3.3Å; E89-Y184 PolarHBondContact OE1-OH 3.28Å
90	A	98.4	Very high	95.8	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	20%	0.199	C	C	.	.			trans	-80	-41.4	-161.4	0	0	0	0	0	112.9	I77 I88 P121 V122	I77-A90 HydrophobicContact CD1-CB 4Å; I88-A90 PolarHBondContact O-N 3.47Å; A90-P121 PolarHBondContact N-O 3.32Å; A90-V122 HydrophobicContact CB-CG1 4.22Å
91	T	98.4	Very high	95.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	-174.1	-176.2	-164.4	0	0	0	0	112.1	R58 F93 H105 V109 V122 L123	R58-T91 VanDerWaalsContact CG-C 3.42Å; R58-T91 WeakPolarHBondContact CG-O 3.41Å; T91-F93 HydrophobicContact CG2-CD2 4.38Å; T91-F93 HydrophobicContact CG2-CE2 3.92Å; T91-H105 HydrophobicContact CG2-CB 3.68Å; T91-H105 WeakPolarHBondContact OG1-CA 3.34Å; T91-H105 WeakPolarHBondContact OG1-CB 3.45Å; T91-V109 HydrophobicContact CG2-CG2 3.58Å; T91-V122 HydrophobicContact CG2-CB 4.31Å; T91-V122 HydrophobicContact CG2-CG1 3.78Å; T91-V122 VanDerWaalsContact O-CA 3.3Å; T91-V122 WeakPolarHBondContact O-CA 3.44Å; T91-L123 PolarHBondContact O-N 3.03Å
92	S	97.5	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124	-180	-178.9	0	0	0	0	111.6	V94 H105	S92-V94 PolarHBondContact O-N 3.35Å; S92-V94 WeakPolarHBondContact OG-CG1 3.22Å; S92-V94 WeakPolarHBondContact OG-CG2 3.35Å; S92-H105 WeakPolarHBondContact O-CB 3.43Å; S92-H105 PolarHBondContact O-CD2 2.96Å
93	F	97.4	Very high	95.5	Very high	5 Å²	5	37 Å²	37	2%	0.022	20%	0.204	C	C	.	.			trans	-84.5	62	173.2	-73.6	-100.7	0	0	0	110.2	T91 H105 V109 V122 L123 T124 P125 G129 D132 A133 A136	T91-F93 HydrophobicContact CG2-CD2 4.38Å; T91-F93 HydrophobicContact CG2-CE2 3.92Å; F93-H105 AromaticContact CD1-CE1 3.57Å; F93-H105 AromaticContact CD1-CG 3.92Å; F93-H105 AromaticContact CD1-ND1 3.21Å; F93-H105 WeakPolarHBondContact CD1-ND1 3.49Å; F93-H105 HydrophobicContact CD2-CB 4.42Å; F93-H105 HydrophobicContact CE1-CB 4.47Å; F93-H105 AromaticContact CE1-CE1 3.87Å; F93-H105 AromaticContact CE1-ND1 3.19Å; F93-H105 WeakPolarHBondContact CE1-ND1 3.28Å; F93-H105 HydrophobicContact CE2-CB 4.34Å; F93-H105 AromaticContact CG-ND1 3.92Å; F93-H105 HydrophobicContact CZ-CB 4.34Å; F93-H105 AromaticContact CZ-ND1 3.87Å; F93-V109 HydrophobicContact CE2-CG2 3.85Å; F93-V109 HydrophobicContact CZ-CG2 3.98Å; F93-V122 HydrophobicContact CD2-CB 4Å; F93-V122 HydrophobicContact CD2-CG2 3.81Å; F93-V122 HydrophobicContact CE2-CB 4.01Å; F93-V122 HydrophobicContact CE2-CG1 4.18Å; F93-V122 HydrophobicContact CE2-CG2 3.81Å; F93-L123 PolarHBondContact N-O 2.59Å; F93-T124 HydrophobicContact CB-CG2 4.4Å; F93-P125 WeakPolarHBondContact O-CD 3.17Å; F93-G129 WeakPolarHBondContact CB-O 3.28Å; F93-D132 HydrophobicContact CD1-CB 3.69Å; F93-D132 HydrophobicContact CE1-CB 4.11Å; F93-A133 HydrophobicContact CD1-CB 4.14Å; F93-A133 HydrophobicContact CD2-CB 3.56Å; F93-A133 HydrophobicContact CE1-CB 4.27Å; F93-A133 HydrophobicContact CE2-CB 3.72Å; F93-A133 HydrophobicContact CG-CB 3.81Å; F93-A133 HydrophobicContact CZ-CB 4.1Å; F93-A136 HydrophobicContact CE1-CB 4.07Å; F93-A136 HydrophobicContact CZ-CB 3.71Å
94	V	92.9	Very high	95.5	Very high	23 Å²	23	37.8 Å²	37.8	14%	0.139	21%	0.208	C	C	.	.			trans	-102.7	165.1	175	-74.6	0	0	0	0	110.3	S92 S96 V99 M102 P125	S92-V94 PolarHBondContact O-N 3.35Å; S92-V94 WeakPolarHBondContact OG-CG1 3.22Å; S92-V94 WeakPolarHBondContact OG-CG2 3.35Å; V94-S96 PolarHBondContact O-N 3.29Å; V94-V99 HydrophobicContact CB-CG2 4.46Å; V94-V99 HydrophobicContact CG2-CB 3.66Å; V94-V99 HydrophobicContact CG2-CG1 4.19Å; V94-V99 HydrophobicContact CG2-CG2 3.9Å; V94-M102 HydrophobicContact CG2-CB 4.05Å; V94-P125 HydrophobicContact CG1-CG 3.74Å
95	S	90.9	Very high	95.5	Very high	61 Å²	61	38 Å²	38	43%	0.427	20%	0.204	S	C	.	.			trans	-62.9	123.1	173.7	-176.6	0	0	0	0	111.1	K97 W98 V99	S95-K97 PolarHBondContact O-N 3.31Å; S95-K97 VanDerWaalsContact O-N 3.09Å; S95-K97 PolarHBondContact OG-N 2.98Å; S95-W98 PolarHBondContact O-N 3.27Å; S95-V99 PolarHBondContact O-N 2.87Å
96	S	91.1	Very high	95.4	Very high	67 Å²	67	40 Å²	40	47%	0.469	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.5	173.5	56.6	0	0	0	0	113.9	V94 P100 A103	V94-S96 PolarHBondContact O-N 3.29Å; S96-P100 VanDerWaalsContact O-CA 3.31Å; S96-P100 WeakPolarHBondContact O-CA 3.35Å; S96-A103 VanDerWaalsContact CB-CB 3.49Å
97	K	89.6	Confident	95.5	Very high	164 Å²	164	42.4 Å²	42.4	71%	0.713	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-38.5	173.3	-176.6	-178.4	176.5	-177	0	112.1	S95	S95-K97 PolarHBondContact O-N 3.31Å; S95-K97 VanDerWaalsContact O-N 3.09Å; S95-K97 PolarHBondContact OG-N 2.98Å
98	W	86.4	Confident	95.5	Very high	202 Å²	202	42.1 Å²	42.1	77%	0.765	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-34.7	-177.1	-61.7	122.3	0	0	0	111.8	S95	S95-W98 PolarHBondContact O-N 3.27Å
99	V	90.4	Very high	95.4	Very high	22 Å²	22	42.3 Å²	42.3	13%	0.133	23%	0.225	C	C	.	.			trans	-131.1	77.9	-178.5	-171.2	0	0	0	0	109.4	Q62 V94 S95 Q101 M102	Q62-V99 HydrophobicContact CG-CG1 3.67Å; V94-V99 HydrophobicContact CB-CG2 4.46Å; V94-V99 HydrophobicContact CG2-CB 3.66Å; V94-V99 HydrophobicContact CG2-CG1 4.19Å; V94-V99 HydrophobicContact CG2-CG2 3.9Å; S95-V99 PolarHBondContact O-N 2.87Å; V99-Q101 HydrophobicContact CG1-CB 4.49Å; V99-Q101 PolarHBondContact O-N 2.89Å; V99-M102 HydrophobicContact CG1-CB 4.01Å; V99-M102 HydrophobicContact CG1-CG 3.76Å; V99-M102 PolarHBondContact O-N 3.02Å; V99-M102 VanDerWaalsContact O-N 3.09Å
100	P	94.1	Very high	95.4	Very high	57 Å²	57	48.9 Å²	48.9	37%	0.37	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-63	-26.2	-177.3	24.6	-33.5	0	0	0	112.9	I67 S96 M102 A103	I67-P100 HydrophobicContact CD1-CB 4.19Å; S96-P100 VanDerWaalsContact O-CA 3.31Å; S96-P100 WeakPolarHBondContact O-CA 3.35Å; P100-M102 PolarHBondContact O-N 3Å; P100-M102 VanDerWaalsContact O-N 3.16Å; P100-A103 VanDerWaalsContact O-CB 3.3Å; P100-A103 WeakPolarHBondContact O-CB 3.24Å; P100-A103 PolarHBondContact O-N 3.02Å; P100-A103 VanDerWaalsContact O-N 3.16Å
101	Q	94.7	Very high	95.4	Very high	36 Å²	36	50.5 Å²	50.5	17%	0.168	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-56.5	-29.3	174.6	-70.6	79	-3.7	0	0	112.2	E64 K73 V99	E64-Q101 PolarHBondContact O-NE2 3.32Å; E64-Q101 VanDerWaalsContact O-NE2 3.13Å; K73-Q101 WeakPolarHBondContact CE-O 3.3Å; K73-Q101 PolarHBondContact NZ-O 2.95Å; V99-Q101 HydrophobicContact CG1-CB 4.49Å; V99-Q101 PolarHBondContact O-N 2.89Å
102	M	96.7	Very high	95.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-104.7	9.9	-176.7	-63.7	-66.1	118.7	0	0	113	L61 Q62 V94 V99 P100 D104 H105	L61-M102 HydrophobicContact CB-CE 3.89Å; Q62-M102 HydrophobicContact CB-CE 4.33Å; V94-M102 HydrophobicContact CG2-CB 4.05Å; V99-M102 HydrophobicContact CG1-CB 4.01Å; V99-M102 HydrophobicContact CG1-CG 3.76Å; V99-M102 PolarHBondContact O-N 3.02Å; V99-M102 VanDerWaalsContact O-N 3.09Å; P100-M102 PolarHBondContact O-N 3Å; P100-M102 VanDerWaalsContact O-N 3.16Å; M102-D104 PolarHBondContact O-N 3.38Å; M102-D104 VanDerWaalsContact O-N 3.08Å; M102-H105 WeakPolarHBondContact O-CB 3.36Å; M102-H105 PolarHBondContact O-CD2 3.31Å; M102-H105 PolarHBondContact O-N 2.97Å; M102-H105 VanDerWaalsContact O-N 3.07Å
103	A	96.9	Very high	95.4	Very high	53 Å²	53	57.8 Å²	57.8	44%	0.438	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.5	-174	0	0	0	0	0	114.7	S96 P100	S96-A103 VanDerWaalsContact CB-CB 3.49Å; P100-A103 VanDerWaalsContact O-CB 3.3Å; P100-A103 WeakPolarHBondContact O-CB 3.24Å; P100-A103 PolarHBondContact O-N 3.02Å; P100-A103 VanDerWaalsContact O-N 3.16Å
104	D	97.9	Very high	95.3	Very high	20 Å²	20	62.2 Å²	62.2	11%	0.107	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	17.5	179.5	60	-7.8	0	0	0	113.2	T70 K73 M102 T106 D107 V108	T70-D104 WeakPolarHBondContact CA-OD2 3.5Å; T70-D104 VanDerWaalsContact CB-OD2 3.28Å; T70-D104 WeakPolarHBondContact CB-OD2 3.4Å; T70-D104 HydrophobicContact CG2-CB 4.07Å; T70-D104 WeakPolarHBondContact OG1-CB 3.37Å; T70-D104 PolarHBondContact OG1-OD2 3.28Å; K73-D104 IonicContact NZ-OD1 3.94Å; K73-D104 PolarHBondContact NZ-OD1 3.14Å; K73-D104 IonicContact NZ-OD2 2.74Å; K73-D104 PolarHBondContact NZ-OD2 2.84Å; M102-D104 PolarHBondContact O-N 3.38Å; M102-D104 VanDerWaalsContact O-N 3.08Å; D104-T106 PolarHBondContact O-N 3.03Å; D104-T106 VanDerWaalsContact O-N 3.11Å; D104-D107 PolarHBondContact O-N 3.42Å; D104-V108 WeakPolarHBondContact O-CG2 3.43Å; D104-V108 PolarHBondContact O-N 2.92Å
105	H	98.1	Very high	95.5	Very high	26 Å²	26	63 Å²	63	12%	0.12	33%	0.326	C	S	.	.	H	α-helix	trans	-47.9	-42.1	-176.8	52.7	68.6	0	0	0	113.9	T91 S92 F93 M102 V108 V109	T91-H105 HydrophobicContact CG2-CB 3.68Å; T91-H105 WeakPolarHBondContact OG1-CA 3.34Å; T91-H105 WeakPolarHBondContact OG1-CB 3.45Å; S92-H105 WeakPolarHBondContact O-CB 3.43Å; S92-H105 PolarHBondContact O-CD2 2.96Å; F93-H105 AromaticContact CD1-CE1 3.57Å; F93-H105 AromaticContact CD1-CG 3.92Å; F93-H105 AromaticContact CD1-ND1 3.21Å; F93-H105 WeakPolarHBondContact CD1-ND1 3.49Å; F93-H105 HydrophobicContact CD2-CB 4.42Å; F93-H105 HydrophobicContact CE1-CB 4.47Å; F93-H105 AromaticContact CE1-CE1 3.87Å; F93-H105 AromaticContact CE1-ND1 3.19Å; F93-H105 WeakPolarHBondContact CE1-ND1 3.28Å; F93-H105 HydrophobicContact CE2-CB 4.34Å; F93-H105 AromaticContact CG-ND1 3.92Å; F93-H105 HydrophobicContact CZ-CB 4.34Å; F93-H105 AromaticContact CZ-ND1 3.87Å; M102-H105 WeakPolarHBondContact O-CB 3.36Å; M102-H105 PolarHBondContact O-CD2 3.31Å; M102-H105 PolarHBondContact O-N 2.97Å; M102-H105 VanDerWaalsContact O-N 3.07Å; H105-V108 PolarHBondContact O-N 3.3Å; H105-V109 WeakPolarHBondContact O-CG2 3.33Å; H105-V109 PolarHBondContact O-N 2.88Å
106	T	98.3	Very high	95.6	Very high	42 Å²	42	66.4 Å²	66.4	26%	0.258	35%	0.347	S	S	.	.	H	α-helix	trans	-66.9	-42.2	-179.7	-59.7	0	0	0	0	111.8	D104 K110 A136	D104-T106 PolarHBondContact O-N 3.03Å; D104-T106 VanDerWaalsContact O-N 3.11Å; T106-K110 HydrophobicContact CG2-CD 4.14Å; T106-K110 WeakPolarHBondContact O-CB 3.19Å; T106-K110 WeakPolarHBondContact O-CG 3.41Å; T106-K110 PolarHBondContact O-N 3.03Å; T106-K110 VanDerWaalsContact O-N 3.15Å; T106-A136 HydrophobicContact CG2-CB 4.24Å
107	D	98.5	Very high	95.7	Very high	100 Å²	100	68.4 Å²	68.4	54%	0.535	35%	0.349	S	S	.	.	H	α-helix	trans	-71.8	-35.5	-178.8	-65.2	-28.7	0	0	0	110.8	T70 D104 G111	T70-D107 HydrophobicContact CG2-CB 3.85Å; D104-D107 PolarHBondContact O-N 3.42Å; D107-G111 WeakPolarHBondContact O-CA 3.49Å; D107-G111 PolarHBondContact O-N 3.06Å
108	V	98.6	Very high	96.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-53.7	173.2	174.2	0	0	0	0	110.7	T70 K73 I77 D104 H105 K110 G111 I112	T70-V108 HydrophobicContact CG2-CG2 3.97Å; K73-V108 HydrophobicContact CB-CG2 4.04Å; K73-V108 HydrophobicContact CD-CG2 4.03Å; I77-V108 HydrophobicContact CD1-CG1 3.49Å; I77-V108 VanDerWaalsContact CD1-CG1 3.49Å; D104-V108 WeakPolarHBondContact O-CG2 3.43Å; D104-V108 PolarHBondContact O-N 2.92Å; H105-V108 PolarHBondContact O-N 3.3Å; V108-K110 VanDerWaalsContact C-N 3.27Å; V108-K110 PolarHBondContact O-N 3.44Å; V108-G111 PolarHBondContact O-N 3.46Å; V108-G111 VanDerWaalsContact O-N 3.07Å; V108-I112 HydrophobicContact CG1-CG2 4.35Å; V108-I112 WeakPolarHBondContact O-CG2 3.3Å; V108-I112 PolarHBondContact O-N 3.28Å; V108-I112 VanDerWaalsContact O-N 3.11Å
109	V	98.4	Very high	96.6	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-35.4	-177.4	174.2	0	0	0	0	112.5	T91 F93 H105 I112 V122 A136	T91-V109 HydrophobicContact CG2-CG2 3.58Å; F93-V109 HydrophobicContact CE2-CG2 3.85Å; F93-V109 HydrophobicContact CZ-CG2 3.98Å; H105-V109 WeakPolarHBondContact O-CG2 3.33Å; H105-V109 PolarHBondContact O-N 2.88Å; V109-I112 WeakPolarHBondContact O-CG1 3.38Å; V109-V122 HydrophobicContact CG2-CG1 3.84Å; V109-A136 HydrophobicContact CB-CB 4.16Å; V109-A136 HydrophobicContact CG1-CB 3.98Å; V109-A136 WeakPolarHBondContact CG1-O 3.44Å
110	K	98.4	Very high	97	Very high	138 Å²	138	54.2 Å²	54.2	60%	0.6	29%	0.292	S	S	*	.	H	α-helix	trans	-78.1	-26.4	176.8	-71.2	179.4	179.1	179.1	0	113.3	T106 V108	T106-K110 HydrophobicContact CG2-CD 4.14Å; T106-K110 WeakPolarHBondContact O-CB 3.19Å; T106-K110 WeakPolarHBondContact O-CG 3.41Å; T106-K110 PolarHBondContact O-N 3.03Å; T106-K110 VanDerWaalsContact O-N 3.15Å; V108-K110 VanDerWaalsContact C-N 3.27Å; V108-K110 PolarHBondContact O-N 3.44Å
111	G	98.3	Very high	97.2	Very high	36 Å²	36	51.5 Å²	51.5	37%	0.371	28%	0.275	S	S	.	.	H	α-helix	trans	-89.1	-23.6	-172.9	0	0	0	0	0	115	I74 D107 V108	I74-G111 WeakPolarHBondContact CG2-O 3.39Å; D107-G111 WeakPolarHBondContact O-CA 3.49Å; D107-G111 PolarHBondContact O-N 3.06Å; V108-G111 PolarHBondContact O-N 3.46Å; V108-G111 VanDerWaalsContact O-N 3.07Å
112	I	98.3	Very high	97.4	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.067	27%	0.267	C	S	.	.	S	Bend	trans	-68.6	146.6	-179.8	57.5	166.6	0	0	0	113	I74 I77 D78 V108 V109 R114 Y120	I74-I112 HydrophobicContact CB-CG2 4.49Å; I74-I112 HydrophobicContact CG1-CG2 4.39Å; I74-I112 HydrophobicContact CG2-CG2 4.3Å; I77-I112 HydrophobicContact CB-CG2 3.76Å; I77-I112 HydrophobicContact CD1-CG2 3.78Å; I77-I112 HydrophobicContact CG1-CG2 4.39Å; I77-I112 HydrophobicContact CG2-CB 4.22Å; I77-I112 HydrophobicContact CG2-CD1 4.22Å; I77-I112 HydrophobicContact CG2-CG2 3.66Å; D78-I112 WeakPolarHBondContact OD1-CA 3.45Å; V108-I112 HydrophobicContact CG1-CG2 4.35Å; V108-I112 WeakPolarHBondContact O-CG2 3.3Å; V108-I112 PolarHBondContact O-N 3.28Å; V108-I112 VanDerWaalsContact O-N 3.11Å; V109-I112 WeakPolarHBondContact O-CG1 3.38Å; I112-R114 PolarHBondContact O-N 3.4Å; I112-Y120 HydrophobicContact CD1-CD1 3.69Å; I112-Y120 HydrophobicContact CD1-CD2 4.32Å; I112-Y120 HydrophobicContact CD1-CE1 4.11Å; I112-Y120 HydrophobicContact CD1-CG 3.8Å
113	Q	97.2	Very high	97.5	Very high	142 Å²	142	50 Å²	50	66%	0.664	27%	0.268	S	S	*	.			trans	-83.7	105.5	171.7	-63.4	-173.3	8.2	0	0	109.8	D78 V115 Y120	D78-Q113 PolarHBondContact OD1-N 2.97Å; Q113-V115 PolarHBondContact O-N 3.29Å; Q113-Y120 PolarHBondContact O-OH 2.78Å
114	R	95.4	Very high	97.5	Very high	98 Å²	98	47.5 Å²	47.5	37%	0.37	25%	0.247	S	C	.	.			trans	-71.8	119.3	-179.9	-67.6	-172.7	175.4	-128.9	1.3	111.5	I112 Y120 G137 T139	I112-R114 PolarHBondContact O-N 3.4Å; R114-Y120 HydrophobicContact CB-CE2 4.18Å; R114-Y120 HydrophobicContact CG-CD2 4.28Å; R114-Y120 HydrophobicContact CG-CE2 4.12Å; R114-G137 VanDerWaalsContact CZ-O 3.28Å; R114-G137 PolarHBondContact NH1-O 3.33Å; R114-G137 PolarHBondContact NH2-O 2.88Å; R114-T139 PolarHBondContact NH1-OG1 2.99Å
115	V	96.6	Very high	97	Very high	38 Å²	38	47.5 Å²	47.5	23%	0.23	25%	0.248	C	C	.	.			trans	-93.5	129.6	174.2	-177.6	0	0	0	0	109.3	Q113 H117 V118 Y120	Q113-V115 PolarHBondContact O-N 3.29Å; V115-H117 WeakPolarHBondContact CG1-CE1 3.35Å; V115-H117 WeakPolarHBondContact CG1-ND1 3.27Å; V115-H117 PolarHBondContact O-N 3.21Å; V115-V118 HydrophobicContact CB-CB 4.36Å; V115-V118 HydrophobicContact CB-CG2 3.85Å; V115-V118 HydrophobicContact CG1-CG2 4.07Å; V115-V118 PolarHBondContact O-N 3.48Å; V115-Y120 PolarHBondContact N-OH 3.44Å; V115-Y120 VanDerWaalsContact N-OH 3.14Å
116	P	93.3	Very high	96.7	Very high	133 Å²	133	49.4 Å²	49.4	86%	0.864	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.6	-169.4	-30.2	35.6	0	0	0	117.2
117	H	92.8	Very high	96.5	Very high	110 Å²	110	49.9 Å²	49.9	51%	0.509	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	2.8	-179.3	62.3	-92.3	0	0	0	113.7	V115	V115-H117 WeakPolarHBondContact CG1-CE1 3.35Å; V115-H117 WeakPolarHBondContact CG1-ND1 3.27Å; V115-H117 PolarHBondContact O-N 3.21Å
118	V	98.1	Very high	96.4	Very high	6 Å²	6	50 Å²	50	4%	0.036	26%	0.257	C	S	.	.			trans	-113.7	129.4	-174.6	-171.9	0	0	0	0	109.7	L85 C86 I88 V115 Y120	L85-V118 WeakPolarHBondContact O-CG2 3.48Å; C86-V118 WeakPolarHBondContact O-CA 3.19Å; I88-V118 HydrophobicContact CD1-CG1 3.79Å; I88-V118 HydrophobicContact CG1-CG1 4.01Å; V115-V118 HydrophobicContact CB-CB 4.36Å; V115-V118 HydrophobicContact CB-CG2 3.85Å; V115-V118 HydrophobicContact CG1-CG2 4.07Å; V115-V118 PolarHBondContact O-N 3.48Å; V118-Y120 HydrophobicContact CB-CE1 4.45Å; V118-Y120 HydrophobicContact CB-CE2 3.92Å; V118-Y120 HydrophobicContact CG1-CD1 4.36Å; V118-Y120 HydrophobicContact CG1-CE1 3.78Å; V118-Y120 HydrophobicContact CG1-CE2 4.02Å; V118-Y120 WeakPolarHBondContact O-CD2 3.21Å; V118-Y120 WeakPolarHBondContact O-CE2 3.43Å
119	Q	98.4	Very high	96.3	Very high	80 Å²	80	50.1 Å²	50.1	37%	0.374	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-91	143.7	168.7	-61.2	-57.9	-22.6	0	0	110.7	C86 V87 I88 P121 E140	C86-Q119 PolarHBondContact O-N 3.21Å; V87-Q119 WeakPolarHBondContact CA-O 3.38Å; V87-Q119 HydrophobicContact CG2-CB 4.47Å; I88-Q119 PolarHBondContact N-O 3.31Å; Q119-P121 VanDerWaalsContact C-CD 3.41Å; Q119-P121 WeakPolarHBondContact O-CD 3.41Å; Q119-E140 WeakPolarHBondContact CB-OE2 3.3Å
120	Y	98.7	Very high	96.3	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.016	26%	0.257	C	S	.	.			trans	-122.3	68	-178	-58.5	-83.4	0	0	0	110.6	I77 S81 I88 I112 Q113 R114 V115 V118	I77-Y120 HydrophobicContact CG2-CD1 3.91Å; I77-Y120 HydrophobicContact CG2-CE1 3.69Å; S81-Y120 WeakPolarHBondContact CB-OH 3.39Å; S81-Y120 WeakPolarHBondContact OG-CE1 3.5Å; S81-Y120 PolarHBondContact OG-OH 3.38Å; I88-Y120 HydrophobicContact CB-CD1 4.25Å; I88-Y120 HydrophobicContact CB-CE1 4.44Å; I88-Y120 HydrophobicContact CD1-CE1 4.19Å; I88-Y120 VanDerWaalsContact O-CA 3.32Å; I88-Y120 WeakPolarHBondContact O-CA 3.47Å; I112-Y120 HydrophobicContact CD1-CD1 3.69Å; I112-Y120 HydrophobicContact CD1-CD2 4.32Å; I112-Y120 HydrophobicContact CD1-CE1 4.11Å; I112-Y120 HydrophobicContact CD1-CG 3.8Å; Q113-Y120 PolarHBondContact O-OH 2.78Å; R114-Y120 HydrophobicContact CB-CE2 4.18Å; R114-Y120 HydrophobicContact CG-CD2 4.28Å; R114-Y120 HydrophobicContact CG-CE2 4.12Å; V115-Y120 PolarHBondContact N-OH 3.44Å; V115-Y120 VanDerWaalsContact N-OH 3.14Å; V118-Y120 HydrophobicContact CB-CE1 4.45Å; V118-Y120 HydrophobicContact CB-CE2 3.92Å; V118-Y120 HydrophobicContact CG1-CD1 4.36Å; V118-Y120 HydrophobicContact CG1-CE1 3.78Å; V118-Y120 HydrophobicContact CG1-CE2 4.02Å; V118-Y120 WeakPolarHBondContact O-CD2 3.21Å; V118-Y120 WeakPolarHBondContact O-CE2 3.43Å
121	P	98.5	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.			trans	-59.9	146.8	178.4	23.4	-32.1	0	0	0	111.2	V87 I88 E89 A90 Q119 E140	V87-P121 HydrophobicContact CG1-CG 3.59Å; I88-P121 WeakPolarHBondContact O-CD 3.21Å; E89-P121 CarbonylContact C-O 3.56Å; E89-P121 WeakPolarHBondContact CA-O 3.39Å; E89-P121 HydrophobicContact CB-CG 4.32Å; E89-P121 HydrophobicContact CG-CG 4.41Å; A90-P121 PolarHBondContact N-O 3.32Å; Q119-P121 VanDerWaalsContact C-CD 3.41Å; Q119-P121 WeakPolarHBondContact O-CD 3.41Å; P121-E140 WeakPolarHBondContact CA-O 3.45Å; P121-E140 HydrophobicContact CB-CB 4.25Å; P121-E140 HydrophobicContact CB-CG 3.9Å
122	V	98.6	Very high	96.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.2	174.2	-59.7	0	0	0	0	110.8	A90 T91 F93 V109 T124 A133 A138 E140 V141 A142	A90-V122 HydrophobicContact CB-CG1 4.22Å; T91-V122 HydrophobicContact CG2-CB 4.31Å; T91-V122 HydrophobicContact CG2-CG1 3.78Å; T91-V122 VanDerWaalsContact O-CA 3.3Å; T91-V122 WeakPolarHBondContact O-CA 3.44Å; F93-V122 HydrophobicContact CD2-CB 4Å; F93-V122 HydrophobicContact CD2-CG2 3.81Å; F93-V122 HydrophobicContact CE2-CB 4.01Å; F93-V122 HydrophobicContact CE2-CG1 4.18Å; F93-V122 HydrophobicContact CE2-CG2 3.81Å; V109-V122 HydrophobicContact CG2-CG1 3.84Å; V122-T124 HydrophobicContact CG2-CG2 4.26Å; V122-A133 HydrophobicContact CG2-CB 3.78Å; V122-A138 HydrophobicContact CG2-CB 3.6Å; V122-E140 PolarHBondContact N-O 3.21Å; V122-V141 HydrophobicContact CG2-CG1 4.13Å; V122-V141 CarbonylContact O-C 3.58Å; V122-V141 VanDerWaalsContact O-CA 3.23Å; V122-V141 WeakPolarHBondContact O-CA 3.31Å; V122-A142 PolarHBondContact O-N 3Å
123	L	97.8	Very high	96.2	Very high	5 Å²	5	48 Å²	48	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.2	-179.4	-166.1	73.4	0	0	0	110.7	T91 F93 A142 F144 Y184	T91-L123 PolarHBondContact O-N 3.03Å; F93-L123 PolarHBondContact N-O 2.59Å; L123-A142 HydrophobicContact CD1-CB 3.99Å; L123-F144 HydrophobicContact CD1-CB 4.3Å; L123-F144 HydrophobicContact CD1-CD1 3.85Å; L123-F144 HydrophobicContact CD2-CD1 3.73Å; L123-F144 HydrophobicContact CD2-CE1 3.91Å; L123-F144 HydrophobicContact CG-CD1 3.97Å; L123-F144 HydrophobicContact CG-CE1 4.42Å; L123-Y184 HydrophobicContact CD1-CD2 4.42Å
124	T	96.5	Very high	96.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.			trans	-132.8	89.1	-179	58.8	0	0	0	0	110.2	F93 V122 N126 F130 A133 V141 A142	F93-T124 HydrophobicContact CB-CG2 4.4Å; V122-T124 HydrophobicContact CG2-CG2 4.26Å; T124-N126 PolarHBondContact O-N 3.03Å; T124-F130 HydrophobicContact CG2-CB 4.39Å; T124-A133 HydrophobicContact CG2-CB 3.63Å; T124-V141 HydrophobicContact CG2-CB 4Å; T124-V141 HydrophobicContact CG2-CG1 3.84Å; T124-A142 PolarHBondContact N-O 3.45Å; T124-A142 PolarHBondContact OG1-O 3.45Å
125	P	87.6	Confident	96.4	Very high	20 Å²	20	42.3 Å²	42.3	13%	0.13	24%	0.236	C	C	.	.			trans	-69.6	-15.1	-174.2	27.8	-37.9	0	0	0	115.3	F93 V94 F144	F93-P125 WeakPolarHBondContact O-CD 3.17Å; V94-P125 HydrophobicContact CG1-CG 3.74Å; P125-F144 HydrophobicContact CB-CE1 3.77Å; P125-F144 HydrophobicContact CB-CZ 4.47Å
126	N	91.9	Very high	96.5	Very high	66 Å²	66	41 Å²	41	35%	0.353	23%	0.229	S	C	.	.	S	Bend	trans	-154.8	169.8	-174.6	62.4	60.2	0	0	0	110.6	T124 Q128 G129 F130 V170	T124-N126 PolarHBondContact O-N 3.03Å; N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact O-N 2.87Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.48Å; N126-Q128 PolarHBondContact OD1-N 2.82Å; N126-Q128 VanDerWaalsContact OD1-N 3.12Å; N126-G129 PolarHBondContact O-N 3.16Å; N126-G129 PolarHBondContact OD1-N 3.36Å; N126-F130 PolarHBondContact O-N 2.8Å; N126-V170 VanDerWaalsContact C-CG2 3.41Å
127	I	95.4	Very high	96.7	Very high	52 Å²	52	36.3 Å²	36.3	27%	0.267	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-33.6	-175.2	-166.9	62.5	0	0	0	113.6	F130 Q131 A173	I127-F130 HydrophobicContact CD1-CD1 3.99Å; I127-F130 PolarHBondContact O-N 2.95Å; I127-Q131 VanDerWaalsContact O-CG 3.28Å; I127-Q131 WeakPolarHBondContact O-CG 3.25Å; I127-Q131 PolarHBondContact O-N 2.96Å; I127-A173 HydrophobicContact CD1-CB 3.73Å
128	Q	95.5	Very high	96.9	Very high	102 Å²	102	31.3 Å²	31.3	48%	0.477	18%	0.183	S	C	.	.	H	α-helix	trans	-66.9	-49.8	176.9	-177	62	58.3	0	0	110.5	N126 F130 Q131 D132	N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact O-N 2.87Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.48Å; N126-Q128 PolarHBondContact OD1-N 2.82Å; N126-Q128 VanDerWaalsContact OD1-N 3.12Å; Q128-F130 PolarHBondContact O-N 2.78Å; Q128-Q131 PolarHBondContact O-N 2.94Å; Q128-Q131 VanDerWaalsContact O-N 3.1Å; Q128-D132 PolarHBondContact NE2-OD1 2.96Å; Q128-D132 PolarHBondContact NE2-OD2 3.31Å; Q128-D132 VanDerWaalsContact O-CG 3.28Å; Q128-D132 PolarHBondContact O-N 3.1Å
129	G	96.4	Very high	96.9	Very high	3 Å²	3	34 Å²	34	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-36.6	176.3	0	0	0	0	0	112.3	F93 N126 A133	F93-G129 WeakPolarHBondContact CB-O 3.28Å; N126-G129 PolarHBondContact O-N 3.16Å; N126-G129 PolarHBondContact OD1-N 3.36Å; G129-A133 VanDerWaalsContact O-CB 3.27Å; G129-A133 WeakPolarHBondContact O-CB 3.08Å; G129-A133 PolarHBondContact O-N 2.96Å
130	F	98	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-47.2	172.1	171.9	-104.2	0	0	0	112.7	T124 N126 I127 Q128 D132 A133 V134 V141 V170 A173 A174 I179	T124-F130 HydrophobicContact CG2-CB 4.39Å; N126-F130 PolarHBondContact O-N 2.8Å; I127-F130 HydrophobicContact CD1-CD1 3.99Å; I127-F130 PolarHBondContact O-N 2.95Å; Q128-F130 PolarHBondContact O-N 2.78Å; F130-D132 VanDerWaalsContact C-N 3.32Å; F130-D132 PolarHBondContact O-N 2.99Å; F130-A133 WeakPolarHBondContact O-CB 3.45Å; F130-A133 PolarHBondContact O-N 2.91Å; F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE1-CG2 4.15Å; F130-V134 HydrophobicContact CE2-CG2 3.71Å; F130-V134 HydrophobicContact CZ-CG2 3.66Å; F130-V134 WeakPolarHBondContact O-CG2 3.36Å; F130-V134 PolarHBondContact O-N 3.24Å; F130-V141 HydrophobicContact CD2-CG1 4.07Å; F130-V141 HydrophobicContact CD2-CG2 4.06Å; F130-V141 HydrophobicContact CE2-CG1 4.27Å; F130-V141 HydrophobicContact CE2-CG2 4.14Å; F130-V170 HydrophobicContact CB-CG1 4.06Å; F130-V170 HydrophobicContact CB-CG2 4.44Å; F130-V170 HydrophobicContact CD2-CG1 4.14Å; F130-V170 HydrophobicContact CG-CG1 4.16Å; F130-A173 HydrophobicContact CD1-CB 4.07Å; F130-A173 HydrophobicContact CE1-CB 3.61Å; F130-A173 HydrophobicContact CZ-CB 4.42Å; F130-A174 HydrophobicContact CE2-CB 3.7Å; F130-A174 VanDerWaalsContact CZ-CA 3.48Å; F130-A174 HydrophobicContact CZ-CB 3.85Å; F130-I179 HydrophobicContact CE2-CD1 4.32Å; F130-I179 HydrophobicContact CZ-CD1 4.28Å
131	Q	97.9	Very high	96.9	Very high	86 Å²	86	30.3 Å²	30.3	40%	0.402	18%	0.182	S	C	.	.	H	α-helix	trans	-61	-42.6	177.7	-72	172.5	4.2	0	0	111.8	I127 Q128 V134 A135	I127-Q131 VanDerWaalsContact O-CG 3.28Å; I127-Q131 WeakPolarHBondContact O-CG 3.25Å; I127-Q131 PolarHBondContact O-N 2.96Å; Q128-Q131 PolarHBondContact O-N 2.94Å; Q128-Q131 VanDerWaalsContact O-N 3.1Å; Q131-V134 PolarHBondContact O-N 2.87Å; Q131-A135 WeakPolarHBondContact O-CB 3.24Å; Q131-A135 PolarHBondContact O-N 3.43Å
132	D	97.9	Very high	96.8	Very high	61 Å²	61	30.3 Å²	30.3	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-65.5	-40.3	177.5	-63.7	-21.6	0	0	0	111.5	F93 Q128 F130 A135 A136	F93-D132 HydrophobicContact CD1-CB 3.69Å; F93-D132 HydrophobicContact CE1-CB 4.11Å; Q128-D132 PolarHBondContact NE2-OD1 2.96Å; Q128-D132 PolarHBondContact NE2-OD2 3.31Å; Q128-D132 VanDerWaalsContact O-CG 3.28Å; Q128-D132 PolarHBondContact O-N 3.1Å; F130-D132 VanDerWaalsContact C-N 3.32Å; F130-D132 PolarHBondContact O-N 2.99Å; D132-A135 PolarHBondContact O-N 3.06Å; D132-A136 WeakPolarHBondContact O-CB 3.48Å; D132-A136 PolarHBondContact O-N 3.35Å
133	A	98.4	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-47.6	174.8	0	0	0	0	0	112	F93 V122 T124 G129 F130 A135 A136 G137 A138 V141	F93-A133 HydrophobicContact CD1-CB 4.14Å; F93-A133 HydrophobicContact CD2-CB 3.56Å; F93-A133 HydrophobicContact CE1-CB 4.27Å; F93-A133 HydrophobicContact CE2-CB 3.72Å; F93-A133 HydrophobicContact CG-CB 3.81Å; F93-A133 HydrophobicContact CZ-CB 4.1Å; V122-A133 HydrophobicContact CG2-CB 3.78Å; T124-A133 HydrophobicContact CG2-CB 3.63Å; G129-A133 VanDerWaalsContact O-CB 3.27Å; G129-A133 WeakPolarHBondContact O-CB 3.08Å; G129-A133 PolarHBondContact O-N 2.96Å; F130-A133 WeakPolarHBondContact O-CB 3.45Å; F130-A133 PolarHBondContact O-N 2.91Å; A133-A135 VanDerWaalsContact C-N 3.35Å; A133-A135 PolarHBondContact O-N 3.25Å; A133-A136 WeakPolarHBondContact O-CB 3.39Å; A133-A136 PolarHBondContact O-N 3.45Å; A133-A136 VanDerWaalsContact O-N 3.16Å; A133-G137 PolarHBondContact O-N 3Å; A133-G137 VanDerWaalsContact O-N 3.14Å; A133-A138 HydrophobicContact CB-CB 3.91Å; A133-A138 VanDerWaalsContact O-CB 3.22Å; A133-A138 WeakPolarHBondContact O-CB 3.4Å; A133-A138 PolarHBondContact O-N 3.02Å; A133-V141 HydrophobicContact CB-CG1 4.48Å
134	V	98.2	Very high	96.5	Very high	41 Å²	41	32.5 Å²	32.5	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-42.6	176.8	174	0	0	0	0	110.9	F130 Q131 A136 G137 I179	F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE1-CG2 4.15Å; F130-V134 HydrophobicContact CE2-CG2 3.71Å; F130-V134 HydrophobicContact CZ-CG2 3.66Å; F130-V134 WeakPolarHBondContact O-CG2 3.36Å; F130-V134 PolarHBondContact O-N 3.24Å; Q131-V134 PolarHBondContact O-N 2.87Å; V134-A136 PolarHBondContact O-N 2.99Å; V134-G137 WeakPolarHBondContact O-CA 3.1Å; V134-G137 PolarHBondContact O-N 2.83Å; V134-I179 HydrophobicContact CG1-CD1 4.42Å; V134-I179 HydrophobicContact CG2-CD1 3.49Å; V134-I179 VanDerWaalsContact CG2-CD1 3.49Å
135	A	98.1	Very high	96.4	Very high	81 Å²	81	32.6 Å²	32.6	67%	0.669	19%	0.192	S	C	*	.	H	α-helix	trans	-64.5	-27.7	176.4	0	0	0	0	0	112.9	Q131 D132 A133 G137	Q131-A135 WeakPolarHBondContact O-CB 3.24Å; Q131-A135 PolarHBondContact O-N 3.43Å; D132-A135 PolarHBondContact O-N 3.06Å; A133-A135 VanDerWaalsContact C-N 3.35Å; A133-A135 PolarHBondContact O-N 3.25Å; A135-G137 VanDerWaalsContact C-N 3.29Å
136	A	98	Very high	96.7	Very high	10 Å²	10	31.8 Å²	31.8	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-79.4	-11.2	171.9	0	0	0	0	0	113.4	F93 T106 V109 D132 A133 V134	F93-A136 HydrophobicContact CE1-CB 4.07Å; F93-A136 HydrophobicContact CZ-CB 3.71Å; T106-A136 HydrophobicContact CG2-CB 4.24Å; V109-A136 HydrophobicContact CB-CB 4.16Å; V109-A136 HydrophobicContact CG1-CB 3.98Å; V109-A136 WeakPolarHBondContact CG1-O 3.44Å; D132-A136 WeakPolarHBondContact O-CB 3.48Å; D132-A136 PolarHBondContact O-N 3.35Å; A133-A136 WeakPolarHBondContact O-CB 3.39Å; A133-A136 PolarHBondContact O-N 3.45Å; A133-A136 VanDerWaalsContact O-N 3.16Å; V134-A136 PolarHBondContact O-N 2.99Å
137	G	97.4	Very high	96.9	Very high	34 Å²	34	28.7 Å²	28.7	35%	0.351	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	17.1	178.7	0	0	0	0	0	114.6	R114 A133 V134 A135 T139	R114-G137 VanDerWaalsContact CZ-O 3.28Å; R114-G137 PolarHBondContact NH1-O 3.33Å; R114-G137 PolarHBondContact NH2-O 2.88Å; A133-G137 PolarHBondContact O-N 3Å; A133-G137 VanDerWaalsContact O-N 3.14Å; V134-G137 WeakPolarHBondContact O-CA 3.1Å; V134-G137 PolarHBondContact O-N 2.83Å; A135-G137 VanDerWaalsContact C-N 3.29Å; G137-T139 PolarHBondContact O-N 3.48Å
138	A	97.8	Very high	97	Very high	5 Å²	5	26.2 Å²	26.2	4%	0.041	16%	0.158	C	C	.	.			trans	-58.6	133.7	173.8	0	0	0	0	0	111.1	V122 A133 V141	V122-A138 HydrophobicContact CG2-CB 3.6Å; A133-A138 HydrophobicContact CB-CB 3.91Å; A133-A138 VanDerWaalsContact O-CB 3.22Å; A133-A138 WeakPolarHBondContact O-CB 3.4Å; A133-A138 PolarHBondContact O-N 3.02Å; A138-V141 HydrophobicContact CB-CG1 4.43Å
139	T	97.2	Very high	97	Very high	64 Å²	64	24.2 Å²	24.2	39%	0.393	15%	0.149	S	C	.	.	S	Bend	trans	-110.6	-6.6	-179	48.4	0	0	0	0	112.8	R114 G137 P180	R114-T139 PolarHBondContact NH1-OG1 2.99Å; G137-T139 PolarHBondContact O-N 3.48Å; T139-P180 WeakPolarHBondContact O-CD 3.11Å
140	E	98.4	Very high	96.9	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.028	16%	0.161	C	C	.	.	S	Bend	trans	-149.4	142.9	174.1	-176.7	174.7	155.2	0	0	107.3	Q119 P121 V122 P180 Y215	Q119-E140 WeakPolarHBondContact CB-OE2 3.3Å; P121-E140 WeakPolarHBondContact CA-O 3.45Å; P121-E140 HydrophobicContact CB-CB 4.25Å; P121-E140 HydrophobicContact CB-CG 3.9Å; V122-E140 PolarHBondContact N-O 3.21Å; E140-P180 HydrophobicContact CB-CG 4.04Å; E140-P180 HydrophobicContact CG-CB 4.32Å; E140-P180 HydrophobicContact CG-CG 3.92Å; E140-Y215 HydrophobicContact CG-CE1 4.49Å; E140-Y215 WeakPolarHBondContact OE1-CE1 3.06Å; E140-Y215 PolarHBondContact OE1-OH 3.29Å
141	V	98.6	Very high	96.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	164.7	179.1	-60.1	0	0	0	0	111.3	V122 T124 F130 A133 A138 I179 P180 V181 R182	V122-V141 HydrophobicContact CG2-CG1 4.13Å; V122-V141 CarbonylContact O-C 3.58Å; V122-V141 VanDerWaalsContact O-CA 3.23Å; V122-V141 WeakPolarHBondContact O-CA 3.31Å; T124-V141 HydrophobicContact CG2-CB 4Å; T124-V141 HydrophobicContact CG2-CG1 3.84Å; F130-V141 HydrophobicContact CD2-CG1 4.07Å; F130-V141 HydrophobicContact CD2-CG2 4.06Å; F130-V141 HydrophobicContact CE2-CG1 4.27Å; F130-V141 HydrophobicContact CE2-CG2 4.14Å; A133-V141 HydrophobicContact CB-CG1 4.48Å; A138-V141 HydrophobicContact CB-CG1 4.43Å; V141-I179 HydrophobicContact CG1-CG2 4.25Å; V141-I179 HydrophobicContact CG2-CG2 4.21Å; V141-P180 PolarHBondContact N-O 2.72Å; V141-P180 VanDerWaalsContact N-O 3.07Å; V141-V181 HydrophobicContact CG2-CB 4.41Å; V141-V181 HydrophobicContact CG2-CG1 4.28Å; V141-V181 HydrophobicContact CG2-CG2 3.83Å; V141-V181 CarbonylContact O-C 3.53Å; V141-V181 VanDerWaalsContact O-CA 3.3Å; V141-V181 WeakPolarHBondContact O-CA 3.25Å; V141-R182 PolarHBondContact O-N 3.18Å
142	A	98.3	Very high	96.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.3	175	0	0	0	0	0	112.9	V122 L123 T124 R182 Y184	V122-A142 PolarHBondContact O-N 3Å; L123-A142 HydrophobicContact CD1-CB 3.99Å; T124-A142 PolarHBondContact N-O 3.45Å; T124-A142 PolarHBondContact OG1-O 3.45Å; A142-R182 CarbonylContact C-O 3.55Å; A142-R182 WeakPolarHBondContact CA-O 3.49Å; A142-R182 HydrophobicContact CB-CB 4.11Å; A142-Y184 HydrophobicContact CB-CD2 4.02Å; A142-Y184 HydrophobicContact CB-CE2 3.6Å
143	V	97.1	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	154.2	169.7	-63.8	0	0	0	0	109.5	F167 V170 I171 V181 R182 Y184 L209	V143-F167 HydrophobicContact CB-CB 4.48Å; V143-F167 HydrophobicContact CB-CD1 3.77Å; V143-F167 HydrophobicContact CB-CE1 4.22Å; V143-F167 HydrophobicContact CB-CG 4.04Å; V143-F167 HydrophobicContact CG1-CB 4.45Å; V143-F167 HydrophobicContact CG1-CD1 3.94Å; V143-F167 HydrophobicContact CG1-CG 4.36Å; V143-F167 HydrophobicContact CG2-CB 4.45Å; V143-F167 HydrophobicContact CG2-CG 4.3Å; V143-V170 HydrophobicContact CG1-CB 4.31Å; V143-V170 HydrophobicContact CG1-CG1 3.91Å; V143-I171 HydrophobicContact CG2-CD1 4.4Å; V143-V181 HydrophobicContact CG1-CG1 4.17Å; V143-V181 HydrophobicContact CG2-CG1 4.1Å; V143-R182 PolarHBondContact N-O 2.81Å; V143-Y184 PolarHBondContact O-N 2.99Å; V143-L209 HydrophobicContact CG2-CD2 3.99Å
144	F	92.8	Very high	95.5	Very high	51 Å²	51	33.8 Å²	33.8	22%	0.224	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.1	-178.4	71.8	-88.9	0	0	0	112	L123 P125 I156 F167	L123-F144 HydrophobicContact CD1-CB 4.3Å; L123-F144 HydrophobicContact CD1-CD1 3.85Å; L123-F144 HydrophobicContact CD2-CD1 3.73Å; L123-F144 HydrophobicContact CD2-CE1 3.91Å; L123-F144 HydrophobicContact CG-CD1 3.97Å; L123-F144 HydrophobicContact CG-CE1 4.42Å; P125-F144 HydrophobicContact CB-CE1 3.77Å; P125-F144 HydrophobicContact CB-CZ 4.47Å; F144-I156 HydrophobicContact CE2-CG2 3.4Å; F144-I156 HydrophobicContact CZ-CG2 3.42Å; F144-I156 VanDerWaalsContact CZ-CG2 3.42Å; F144-F167 WeakPolarHBondContact O-CE2 3.44Å; F144-F167 WeakPolarHBondContact O-CZ 3.39Å
145	G	93.1	Very high	94.8	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-179.6	169	0	0	0	0	0	112.2	Y184 S186	G145-Y184 PolarHBondContact N-O 3.44Å; G145-S186 PolarHBondContact O-N 3.33Å; G145-S186 PolarHBondContact O-OG 2.88Å
146	S	94.8	Very high	94.1	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.028	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.7	178.1	173.7	0	0	0	0	109.8	S148 F151 I160 S186	S146-S148 PolarHBondContact OG-N 3.48Å; S146-S148 PolarHBondContact OG-O 3.34Å; S146-F151 WeakPolarHBondContact OG-CD1 3.35Å; S146-I160 VanDerWaalsContact O-CD1 3.25Å; S146-I160 WeakPolarHBondContact O-CD1 3.49Å; S146-I160 WeakPolarHBondContact O-CG1 3.23Å; S146-S186 VanDerWaalsContact CA-OG 3.31Å; S146-S186 WeakPolarHBondContact CA-OG 3.42Å; S146-S186 VanDerWaalsContact CB-OG 3.22Å; S146-S186 WeakPolarHBondContact CB-OG 3.32Å; S146-S186 PolarHBondContact OG-OG 2.89Å
147	A	96.4	Very high	93.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-81.8	-3.2	169.2	0	0	0	0	0	113.3	V185 S186 I197 V202	A147-V185 HydrophobicContact CB-CG1 4.08Å; A147-S186 PolarHBondContact N-O 3.23Å; A147-I197 HydrophobicContact CB-CG2 3.78Å; A147-V202 HydrophobicContact CB-CB 4.43Å; A147-V202 HydrophobicContact CB-CG2 3.83Å
148	S	96.6	Very high	93.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.184	C	C	.	.			trans	-116.2	127.4	178.7	172.1	0	0	0	0	112	S146 F151 S152 C191 E194	S146-S148 PolarHBondContact OG-N 3.48Å; S146-S148 PolarHBondContact OG-O 3.34Å; S148-F151 PolarHBondContact O-N 3.2Å; S148-F151 PolarHBondContact OG-N 2.93Å; S148-S152 WeakPolarHBondContact O-CB 3.36Å; S148-S152 PolarHBondContact O-N 3.33Å; S148-C191 PolarHBondContact OG-SG 3.2Å; S148-E194 WeakPolarHBondContact CA-OE2 3.35Å; S148-E194 VanDerWaalsContact CB-OE2 3.27Å; S148-E194 WeakPolarHBondContact CB-OE2 3.32Å; S148-E194 PolarHBondContact OG-OE1 3.09Å; S148-E194 PolarHBondContact OG-OE2 3.38Å
149	E	95.4	Very high	93	Very high	60 Å²	60	38.3 Å²	38.3	28%	0.28	18%	0.183	S	C	.	.	H	α-helix	trans	-65.1	-45.9	177.4	-89.2	-69.9	146.6	0	0	111.3	F151 S152 R153 S159 I160	E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 2.81Å; E149-S152 PolarHBondContact O-N 3.11Å; E149-R153 WeakPolarHBondContact O-CG 3.43Å; E149-R153 PolarHBondContact O-N 3.04Å; E149-R153 IonicContact OE2-CZ 3.66Å; E149-R153 IonicContact OE2-NE 3.27Å; E149-R153 PolarHBondContact OE2-NE 3.44Å; E149-R153 IonicContact OE2-NH2 3.18Å; E149-R153 PolarHBondContact OE2-NH2 3.05Å; E149-S159 WeakPolarHBondContact OE2-CA 3.37Å; E149-S159 WeakPolarHBondContact OE2-CB 3.21Å; E149-I160 HydrophobicContact CG-CD1 4.04Å; E149-I160 HydrophobicContact CG-CG1 4.34Å; E149-I160 WeakPolarHBondContact OE1-CB 3.31Å; E149-I160 WeakPolarHBondContact OE1-CG1 3.07Å; E149-I160 PolarHBondContact OE1-N 3.16Å
150	T	93.8	Very high	92.8	Very high	46 Å²	46	36.5 Å²	36.5	28%	0.282	17%	0.17	S	C	.	.	H	α-helix	trans	-64.6	-39.5	179.1	-57.4	0	0	0	0	111.2	R154 H193 E194	T150-R154 WeakPolarHBondContact O-CB 3.3Å; T150-R154 WeakPolarHBondContact O-CG 3.3Å; T150-R154 PolarHBondContact O-N 3.42Å; T150-H193 HydrophobicContact CG2-CB 3.63Å; T150-E194 WeakPolarHBondContact CB-OE1 3.44Å; T150-E194 PolarHBondContact N-OE1 3.01Å; T150-E194 PolarHBondContact OG1-OE1 2.82Å
151	F	92.7	Very high	92.6	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.039	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-45.5	175.4	-169.2	-91.5	0	0	0	111.4	S146 S148 E149 R153 R154 N155 S186 C187 P192 T222 Y285	S146-F151 WeakPolarHBondContact OG-CD1 3.35Å; S148-F151 PolarHBondContact O-N 3.2Å; S148-F151 PolarHBondContact OG-N 2.93Å; E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 2.81Å; F151-R153 PolarHBondContact O-N 3.09Å; F151-R154 PolarHBondContact O-N 2.82Å; F151-N155 HydrophobicContact CD1-CB 4.44Å; F151-N155 HydrophobicContact CE1-CB 4.3Å; F151-N155 WeakPolarHBondContact CE1-ND2 3.31Å; F151-N155 WeakPolarHBondContact CZ-ND2 3.23Å; F151-N155 WeakPolarHBondContact O-CB 3.17Å; F151-N155 PolarHBondContact O-N 2.91Å; F151-N155 PolarHBondContact O-OD1 3.26Å; F151-S186 WeakPolarHBondContact CD1-OG 3.38Å; F151-S186 VanDerWaalsContact CE1-OG 3.25Å; F151-S186 WeakPolarHBondContact CE1-OG 3.47Å; F151-C187 WeakPolarHBondContact CD2-SG 3.46Å; F151-C187 WeakPolarHBondContact CG-SG 3.46Å; F151-P192 HydrophobicContact CD2-CG 3.93Å; F151-P192 HydrophobicContact CE2-CG 4.08Å; F151-T222 HydrophobicContact CZ-CG2 4.03Å; F151-Y285 AromaticContact CE2-CE2 3.68Å; F151-Y285 HydrophobicContact CE2-CE2 3.68Å; F151-Y285 AromaticContact CE2-CZ 3.67Å; F151-Y285 WeakPolarHBondContact CE2-OH 3.36Å; F151-Y285 HydrophobicContact CZ-CE2 4.28Å
152	S	92.4	Very high	92.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-48.9	175.7	-176	0	0	0	0	111.6	S148 E149 R154 N155 I156 N157 C158 S159	S148-S152 WeakPolarHBondContact O-CB 3.36Å; S148-S152 PolarHBondContact O-N 3.33Å; E149-S152 PolarHBondContact O-N 3.11Å; S152-R154 VanDerWaalsContact C-N 3.32Å; S152-R154 PolarHBondContact O-N 3.39Å; S152-N155 PolarHBondContact O-N 3.36Å; S152-I156 WeakPolarHBondContact O-CG1 3.17Å; S152-I156 PolarHBondContact O-N 3.21Å; S152-N157 PolarHBondContact O-N 3.24Å; S152-C158 CarbonylContact C-O 3.22Å; S152-C158 WeakPolarHBondContact CB-O 3.38Å; S152-C158 PolarHBondContact OG-O 2.96Å; S152-S159 PolarHBondContact OG-O 3.36Å
153	R	91.8	Very high	92.1	Very high	132 Å²	132	43.9 Å²	43.9	50%	0.498	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-37	179.3	-70.6	175.1	-167.8	-93.4	-3.1	112.6	E149 F151 N157 C158	E149-R153 WeakPolarHBondContact O-CG 3.43Å; E149-R153 PolarHBondContact O-N 3.04Å; E149-R153 IonicContact OE2-CZ 3.66Å; E149-R153 IonicContact OE2-NE 3.27Å; E149-R153 PolarHBondContact OE2-NE 3.44Å; E149-R153 IonicContact OE2-NH2 3.18Å; E149-R153 PolarHBondContact OE2-NH2 3.05Å; F151-R153 PolarHBondContact O-N 3.09Å; R153-N157 WeakPolarHBondContact O-CA 3.47Å; R153-N157 PolarHBondContact O-N 3.16Å; R153-N157 VanDerWaalsContact O-N 3.14Å; R153-C158 WeakPolarHBondContact CA-O 3.4Å; R153-C158 PolarHBondContact N-O 3.09Å
154	R	87.1	Confident	91.9	Very high	164 Å²	164	44 Å²	44	62%	0.619	21%	0.214	S	C	*	.	H	α-helix	trans	-77.6	-33.3	179.5	-73.6	-179.6	178.9	-165.1	1	113.1	T150 F151 S152 H193	T150-R154 WeakPolarHBondContact O-CB 3.3Å; T150-R154 WeakPolarHBondContact O-CG 3.3Å; T150-R154 PolarHBondContact O-N 3.42Å; F151-R154 PolarHBondContact O-N 2.82Å; S152-R154 VanDerWaalsContact C-N 3.32Å; S152-R154 PolarHBondContact O-N 3.39Å; R154-H193 VanDerWaalsContact CD-CD2 3.44Å; R154-H193 WeakPolarHBondContact CD-CD2 3.44Å; R154-H193 VanDerWaalsContact CD-NE2 3.32Å; R154-H193 WeakPolarHBondContact CD-NE2 3.42Å; R154-H193 PolarHBondContact NH1-CE1 3.45Å; R154-H193 PolarHBondContact NH1-ND1 3.31Å; R154-H193 PolarHBondContact NH1-NE2 2.96Å
155	N	83.4	Confident	92	Very high	73 Å²	73	46.7 Å²	46.7	39%	0.39	23%	0.229	S	C	.	.	H	α-helix	trans	-89.7	-37	-175	-76.9	34.2	0	0	0	113.3	F151 S152 Y285	F151-N155 HydrophobicContact CD1-CB 4.44Å; F151-N155 HydrophobicContact CE1-CB 4.3Å; F151-N155 WeakPolarHBondContact CE1-ND2 3.31Å; F151-N155 WeakPolarHBondContact CZ-ND2 3.23Å; F151-N155 WeakPolarHBondContact O-CB 3.17Å; F151-N155 PolarHBondContact O-N 2.91Å; F151-N155 PolarHBondContact O-OD1 3.26Å; S152-N155 PolarHBondContact O-N 3.36Å; N155-Y285 PolarHBondContact ND2-OH 3.5Å; N155-Y285 PolarHBondContact OD1-OH 3.33Å
156	I	82.3	Confident	91.9	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.205	25%	0.248	C	C	.	.	H	α-helix	trans	-128.8	7.5	-175.5	58.7	170.2	0	0	0	114.1	F144 S152 C158	F144-I156 HydrophobicContact CE2-CG2 3.4Å; F144-I156 HydrophobicContact CZ-CG2 3.42Å; F144-I156 VanDerWaalsContact CZ-CG2 3.42Å; S152-I156 WeakPolarHBondContact O-CG1 3.17Å; S152-I156 PolarHBondContact O-N 3.21Å; I156-C158 VanDerWaalsContact C-N 3.26Å; I156-C158 VanDerWaalsContact CD1-SG 3.55Å; I156-C158 PolarHBondContact O-N 3.49Å
157	N	86.3	Confident	91.9	Very high	146 Å²	146	51.7 Å²	51.7	78%	0.781	25%	0.247	S	C	*	.	S	Bend	trans	56.6	36.8	173.4	-145.4	13.3	0	0	0	113.9	S152 R153	S152-N157 PolarHBondContact O-N 3.24Å; R153-N157 WeakPolarHBondContact O-CA 3.47Å; R153-N157 PolarHBondContact O-N 3.16Å; R153-N157 VanDerWaalsContact O-N 3.14Å
158	C	89.1	Confident	91.9	Very high	3 Å²	3	57 Å²	57	2%	0.02	27%	0.272	C	S	.	.	S	Bend	trans	-152.6	163.3	173.8	70	0	0	0	0	111.6	S152 R153 I156 E162 R166	S152-C158 CarbonylContact C-O 3.22Å; S152-C158 WeakPolarHBondContact CB-O 3.38Å; S152-C158 PolarHBondContact OG-O 2.96Å; R153-C158 WeakPolarHBondContact CA-O 3.4Å; R153-C158 PolarHBondContact N-O 3.09Å; I156-C158 VanDerWaalsContact C-N 3.26Å; I156-C158 VanDerWaalsContact CD1-SG 3.55Å; I156-C158 PolarHBondContact O-N 3.49Å; C158-E162 VanDerWaalsContact CA-OE2 3.24Å; C158-E162 WeakPolarHBondContact CA-OE2 3.45Å; C158-E162 HydrophobicContact CB-CB 3.77Å; C158-E162 WeakPolarHBondContact CB-OE2 3.48Å; C158-R166 PolarHBondContact SG-NH1 2.74Å
159	S	95.1	Very high	91.9	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.028	30%	0.298	C	S	.	.			trans	-67.5	169.7	170.8	69.9	0	0	0	0	111.8	E149 S152 S161 E162 S163	E149-S159 WeakPolarHBondContact OE2-CA 3.37Å; E149-S159 WeakPolarHBondContact OE2-CB 3.21Å; S152-S159 PolarHBondContact OG-O 3.36Å; S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact OG-N 3.23Å; S159-S161 PolarHBondContact OG-OG 3.21Å; S159-E162 PolarHBondContact N-OE2 2.8Å; S159-E162 PolarHBondContact O-N 3.13Å; S159-E162 WeakPolarHBondContact OG-CB 3.35Å; S159-E162 VanDerWaalsContact OG-CG 3.23Å; S159-E162 WeakPolarHBondContact OG-CG 3.45Å; S159-E162 PolarHBondContact OG-N 3.04Å; S159-E162 PolarHBondContact OG-OE2 3.34Å; S159-S163 PolarHBondContact O-N 3.33Å
160	I	93.8	Very high	91.9	Very high	25 Å²	25	59.6 Å²	59.6	13%	0.128	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-46.2	172.5	-62.5	171.6	0	0	0	109.1	S146 E149 E162 S163 M164 V205	S146-I160 VanDerWaalsContact O-CD1 3.25Å; S146-I160 WeakPolarHBondContact O-CD1 3.49Å; S146-I160 WeakPolarHBondContact O-CG1 3.23Å; E149-I160 HydrophobicContact CG-CD1 4.04Å; E149-I160 HydrophobicContact CG-CG1 4.34Å; E149-I160 WeakPolarHBondContact OE1-CB 3.31Å; E149-I160 WeakPolarHBondContact OE1-CG1 3.07Å; E149-I160 PolarHBondContact OE1-N 3.16Å; I160-E162 VanDerWaalsContact C-N 3.35Å; I160-E162 PolarHBondContact O-N 3.25Å; I160-S163 WeakPolarHBondContact O-CB 3.44Å; I160-S163 PolarHBondContact O-N 3.16Å; I160-S163 VanDerWaalsContact O-N 3.12Å; I160-S163 PolarHBondContact O-OG 3.03Å; I160-M164 HydrophobicContact CG2-CE 4.1Å; I160-M164 HydrophobicContact CG2-CG 4.42Å; I160-M164 VanDerWaalsContact O-CG 3.28Å; I160-M164 WeakPolarHBondContact O-CG 3.37Å; I160-M164 PolarHBondContact O-N 3.47Å; I160-V205 HydrophobicContact CG2-CG2 3.92Å
161	S	93.9	Very high	92.1	Very high	70 Å²	70	57.7 Å²	57.7	49%	0.49	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-42.4	179.4	55.8	0	0	0	0	113.3	S159 M164 L165	S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact OG-N 3.23Å; S159-S161 PolarHBondContact OG-OG 3.21Å; S161-M164 PolarHBondContact O-N 2.92Å; S161-L165 PolarHBondContact O-N 2.97Å
162	E	93.3	Very high	92.3	Very high	92 Å²	92	60.3 Å²	60.3	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-66.5	-38.6	175.5	-72	167.2	164	0	0	111.7	C158 S159 I160 M164 L165 R166	C158-E162 VanDerWaalsContact CA-OE2 3.24Å; C158-E162 WeakPolarHBondContact CA-OE2 3.45Å; C158-E162 HydrophobicContact CB-CB 3.77Å; C158-E162 WeakPolarHBondContact CB-OE2 3.48Å; S159-E162 PolarHBondContact N-OE2 2.8Å; S159-E162 PolarHBondContact O-N 3.13Å; S159-E162 WeakPolarHBondContact OG-CB 3.35Å; S159-E162 VanDerWaalsContact OG-CG 3.23Å; S159-E162 WeakPolarHBondContact OG-CG 3.45Å; S159-E162 PolarHBondContact OG-N 3.04Å; S159-E162 PolarHBondContact OG-OE2 3.34Å; I160-E162 VanDerWaalsContact C-N 3.35Å; I160-E162 PolarHBondContact O-N 3.25Å; E162-M164 VanDerWaalsContact C-N 3.3Å; E162-M164 PolarHBondContact O-N 3.17Å; E162-L165 PolarHBondContact O-N 3.47Å; E162-R166 PolarHBondContact O-N 3Å
163	S	92.9	Very high	92.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-39.2	175.6	77.8	0	0	0	0	111.7	S159 I160 L165 R166 F167	S159-S163 PolarHBondContact O-N 3.33Å; I160-S163 WeakPolarHBondContact O-CB 3.44Å; I160-S163 PolarHBondContact O-N 3.16Å; I160-S163 VanDerWaalsContact O-N 3.12Å; I160-S163 PolarHBondContact O-OG 3.03Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 2.84Å; S163-R166 WeakPolarHBondContact O-CB 3.47Å; S163-R166 PolarHBondContact O-N 3.06Å; S163-R166 VanDerWaalsContact O-N 3.13Å; S163-F167 WeakPolarHBondContact O-CD2 3.33Å; S163-F167 WeakPolarHBondContact O-CG 3.41Å; S163-F167 PolarHBondContact O-N 2.78Å
164	M	94	Very high	92.9	Very high	3 Å²	3	55 Å²	55	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-38	178.8	-65.4	-67.7	144.4	0	0	112.1	I160 S161 E162 R166 F167 E168 V205 K208 L209 M212	I160-M164 HydrophobicContact CG2-CE 4.1Å; I160-M164 HydrophobicContact CG2-CG 4.42Å; I160-M164 VanDerWaalsContact O-CG 3.28Å; I160-M164 WeakPolarHBondContact O-CG 3.37Å; I160-M164 PolarHBondContact O-N 3.47Å; S161-M164 PolarHBondContact O-N 2.92Å; E162-M164 VanDerWaalsContact C-N 3.3Å; E162-M164 PolarHBondContact O-N 3.17Å; M164-R166 VanDerWaalsContact C-N 3.32Å; M164-R166 PolarHBondContact O-N 3.18Å; M164-F167 HydrophobicContact CE-CD2 4.14Å; M164-F167 HydrophobicContact CE-CE2 4.15Å; M164-F167 PolarHBondContact O-N 2.59Å; M164-F167 HydrophobicContact SD-CD2 4.13Å; M164-E168 PolarHBondContact O-N 2.88Å; M164-V205 HydrophobicContact CE-CG1 3.68Å; M164-K208 HydrophobicContact CB-CD 4.2Å; M164-K208 HydrophobicContact CG-CD 3.91Å; M164-K208 HydrophobicContact SD-CD 4.13Å; M164-K208 HydrophobicContact SD-CG 4.21Å; M164-L209 HydrophobicContact CE-CD2 4.33Å; M164-L209 HydrophobicContact CE-CG 4.33Å; M164-L209 HydrophobicContact SD-CD2 4.18Å; M164-L209 HydrophobicContact SD-CG 4.34Å; M164-M212 HydrophobicContact SD-CE 3.66Å
165	L	93.1	Very high	93.4	Very high	106 Å²	106	54.7 Å²	54.7	56%	0.555	28%	0.279	S	S	*	.	H	α-helix	trans	-62.5	-40.1	173.9	-66.4	172.5	0	0	0	111.6	S161 E162 S163 F167 E168 E169	S161-L165 PolarHBondContact O-N 2.97Å; E162-L165 PolarHBondContact O-N 3.47Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 2.84Å; L165-F167 VanDerWaalsContact C-N 3.34Å; L165-E168 PolarHBondContact O-N 3.19Å; L165-E169 PolarHBondContact O-N 2.86Å
166	R	92.6	Very high	94	Very high	108 Å²	108	57.7 Å²	57.7	41%	0.408	30%	0.295	S	S	.	.	H	α-helix	trans	-66.4	-37.5	175.5	-63.6	174.2	-176.6	173.4	3.3	111.9	C158 E162 S163 M164 V170	C158-R166 PolarHBondContact SG-NH1 2.74Å; E162-R166 PolarHBondContact O-N 3Å; S163-R166 WeakPolarHBondContact O-CB 3.47Å; S163-R166 PolarHBondContact O-N 3.06Å; S163-R166 VanDerWaalsContact O-N 3.13Å; M164-R166 VanDerWaalsContact C-N 3.32Å; M164-R166 PolarHBondContact O-N 3.18Å; R166-V170 PolarHBondContact O-N 2.66Å
167	F	94.5	Very high	94.7	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-70.7	-34.9	177.2	-56.7	-31.2	0	0	0	112.1	V143 F144 S163 M164 L165 E169 V170 I171 L209 M212	V143-F167 HydrophobicContact CB-CB 4.48Å; V143-F167 HydrophobicContact CB-CD1 3.77Å; V143-F167 HydrophobicContact CB-CE1 4.22Å; V143-F167 HydrophobicContact CB-CG 4.04Å; V143-F167 HydrophobicContact CG1-CB 4.45Å; V143-F167 HydrophobicContact CG1-CD1 3.94Å; V143-F167 HydrophobicContact CG1-CG 4.36Å; V143-F167 HydrophobicContact CG2-CB 4.45Å; V143-F167 HydrophobicContact CG2-CG 4.3Å; F144-F167 WeakPolarHBondContact O-CE2 3.44Å; F144-F167 WeakPolarHBondContact O-CZ 3.39Å; S163-F167 WeakPolarHBondContact O-CD2 3.33Å; S163-F167 WeakPolarHBondContact O-CG 3.41Å; S163-F167 PolarHBondContact O-N 2.78Å; M164-F167 HydrophobicContact CE-CD2 4.14Å; M164-F167 HydrophobicContact CE-CE2 4.15Å; M164-F167 PolarHBondContact O-N 2.59Å; M164-F167 HydrophobicContact SD-CD2 4.13Å; L165-F167 VanDerWaalsContact C-N 3.34Å; F167-E169 VanDerWaalsContact C-N 3.28Å; F167-E169 PolarHBondContact O-N 2.88Å; F167-V170 PolarHBondContact O-N 3.07Å; F167-V170 VanDerWaalsContact O-N 3.13Å; F167-I171 HydrophobicContact CB-CD1 4.12Å; F167-I171 WeakPolarHBondContact O-CB 3.32Å; F167-I171 WeakPolarHBondContact O-CD1 3.31Å; F167-I171 WeakPolarHBondContact O-CG1 3.44Å; F167-I171 PolarHBondContact O-N 3.36Å; F167-L209 HydrophobicContact CD2-CD2 4.16Å; F167-M212 HydrophobicContact CB-CE 4.38Å
168	E	95.6	Very high	95.3	Very high	111 Å²	111	63.3 Å²	63.3	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-57.4	-42.1	175.3	-172.7	171.7	-165.7	0	0	111.6	M164 L165 V170 S172 M212	M164-E168 PolarHBondContact O-N 2.88Å; L165-E168 PolarHBondContact O-N 3.19Å; E168-V170 PolarHBondContact O-N 3.36Å; E168-S172 WeakPolarHBondContact O-CB 3.27Å; E168-S172 PolarHBondContact O-N 2.95Å; E168-M212 HydrophobicContact CB-SD 4.16Å
169	E	95.9	Very high	95.7	Very high	115 Å²	115	64.2 Å²	64.2	54%	0.537	32%	0.315	S	S	.	.	H	α-helix	trans	-60.1	-46.1	174.3	-65.9	179.2	-177.6	0	0	112.3	L165 F167 A173	L165-E169 PolarHBondContact O-N 2.86Å; F167-E169 VanDerWaalsContact C-N 3.28Å; F167-E169 PolarHBondContact O-N 2.88Å; E169-A173 WeakPolarHBondContact O-CB 3.2Å; E169-A173 PolarHBondContact O-N 3.12Å; E169-A173 VanDerWaalsContact O-N 3.09Å
170	V	97.1	Very high	95.9	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-48.5	179.3	173.9	0	0	0	0	111.1	N126 F130 V143 R166 F167 E168 A173 A174	N126-V170 VanDerWaalsContact C-CG2 3.41Å; F130-V170 HydrophobicContact CB-CG1 4.06Å; F130-V170 HydrophobicContact CB-CG2 4.44Å; F130-V170 HydrophobicContact CD2-CG1 4.14Å; F130-V170 HydrophobicContact CG-CG1 4.16Å; V143-V170 HydrophobicContact CG1-CB 4.31Å; V143-V170 HydrophobicContact CG1-CG1 3.91Å; R166-V170 PolarHBondContact O-N 2.66Å; F167-V170 PolarHBondContact O-N 3.07Å; F167-V170 VanDerWaalsContact O-N 3.13Å; E168-V170 PolarHBondContact O-N 3.36Å; V170-A173 PolarHBondContact O-N 3.26Å; V170-A174 VanDerWaalsContact O-CB 3.3Å; V170-A174 WeakPolarHBondContact O-CB 3.49Å; V170-A174 PolarHBondContact O-N 2.68Å
171	I	97.4	Very high	96.1	Very high	6 Å²	6	65.6 Å²	65.6	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-40.8	-176.7	-64.7	163.4	0	0	0	110.4	V143 F167 A174 K175 V181 M212	V143-I171 HydrophobicContact CG2-CD1 4.4Å; F167-I171 HydrophobicContact CB-CD1 4.12Å; F167-I171 WeakPolarHBondContact O-CB 3.32Å; F167-I171 WeakPolarHBondContact O-CD1 3.31Å; F167-I171 WeakPolarHBondContact O-CG1 3.44Å; F167-I171 PolarHBondContact O-N 3.36Å; I171-A174 PolarHBondContact O-N 3.06Å; I171-K175 WeakPolarHBondContact O-CB 3.12Å; I171-K175 PolarHBondContact O-N 2.92Å; I171-V181 HydrophobicContact CG1-CB 4.46Å; I171-V181 HydrophobicContact CG1-CG1 4.05Å; I171-V181 HydrophobicContact CG1-CG2 4.45Å; I171-M212 HydrophobicContact CD1-CB 3.73Å; I171-M212 HydrophobicContact CD1-CE 3.94Å; I171-M212 HydrophobicContact CD1-SD 4.31Å; I171-M212 HydrophobicContact CG2-CB 4.45Å; I171-M212 WeakPolarHBondContact CG2-O 3.35Å
172	S	97.3	Very high	96.3	Very high	63 Å²	63	62.2 Å²	62.2	44%	0.441	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-49.1	174.8	-172.4	0	0	0	0	111.4	E168 A174 K175 D176	E168-S172 WeakPolarHBondContact O-CB 3.27Å; E168-S172 PolarHBondContact O-N 2.95Å; S172-A174 VanDerWaalsContact C-N 3.31Å; S172-A174 PolarHBondContact O-N 2.89Å; S172-K175 WeakPolarHBondContact O-CB 3.2Å; S172-K175 PolarHBondContact O-N 3.07Å; S172-D176 PolarHBondContact O-N 2.91Å
173	A	97.7	Very high	96.6	Very high	21 Å²	21	57.9 Å²	57.9	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-32.5	178.1	0	0	0	0	0	113.3	I127 F130 E169 V170	I127-A173 HydrophobicContact CD1-CB 3.73Å; F130-A173 HydrophobicContact CD1-CB 4.07Å; F130-A173 HydrophobicContact CE1-CB 3.61Å; F130-A173 HydrophobicContact CZ-CB 4.42Å; E169-A173 WeakPolarHBondContact O-CB 3.2Å; E169-A173 PolarHBondContact O-N 3.12Å; E169-A173 VanDerWaalsContact O-N 3.09Å; V170-A173 PolarHBondContact O-N 3.26Å
174	A	98	Very high	96.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-42.8	173.5	0	0	0	0	0	111.6	F130 V170 I171 S172 D176 R177 Q178 I179 V181	F130-A174 HydrophobicContact CE2-CB 3.7Å; F130-A174 VanDerWaalsContact CZ-CA 3.48Å; F130-A174 HydrophobicContact CZ-CB 3.85Å; V170-A174 VanDerWaalsContact O-CB 3.3Å; V170-A174 WeakPolarHBondContact O-CB 3.49Å; V170-A174 PolarHBondContact O-N 2.68Å; I171-A174 PolarHBondContact O-N 3.06Å; S172-A174 VanDerWaalsContact C-N 3.31Å; S172-A174 PolarHBondContact O-N 2.89Å; A174-D176 PolarHBondContact O-N 2.87Å; A174-R177 CarbonylContact O-C 3.57Å; A174-R177 WeakPolarHBondContact O-CA 3.39Å; A174-R177 PolarHBondContact O-N 2.86Å; A174-Q178 PolarHBondContact O-N 3.13Å; A174-I179 HydrophobicContact CB-CB 4.27Å; A174-I179 PolarHBondContact O-N 2.66Å; A174-V181 HydrophobicContact CB-CG2 3.38Å
175	K	97.1	Very high	97	Very high	159 Å²	159	58.5 Å²	58.5	69%	0.691	28%	0.284	S	S	*	.	H	α-helix	trans	-60.5	-43.8	176.4	-173.6	177.9	-178.5	176.7	0	112.2	I171 S172 R177 Q178	I171-K175 WeakPolarHBondContact O-CB 3.12Å; I171-K175 PolarHBondContact O-N 2.92Å; S172-K175 WeakPolarHBondContact O-CB 3.2Å; S172-K175 PolarHBondContact O-N 3.07Å; K175-R177 PolarHBondContact O-N 3.4Å; K175-R177 VanDerWaalsContact O-N 3.16Å; K175-Q178 PolarHBondContact O-N 2.97Å
176	D	97.1	Very high	97.2	Very high	135 Å²	135	54.3 Å²	54.3	72%	0.722	26%	0.263	S	S	*	.	H	α-helix	trans	-59.1	-26.7	175.6	-73.6	-14.5	0	0	0	112.8	S172 A174	S172-D176 PolarHBondContact O-N 2.91Å; A174-D176 PolarHBondContact O-N 2.87Å
177	R	97.3	Very high	97.4	Very high	124 Å²	124	49.1 Å²	49.1	47%	0.468	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	3.8	178.8	-65.9	176.7	178.3	159.7	0.7	113.8	A174 K175 I179	A174-R177 CarbonylContact O-C 3.57Å; A174-R177 WeakPolarHBondContact O-CA 3.39Å; A174-R177 PolarHBondContact O-N 2.86Å; K175-R177 PolarHBondContact O-N 3.4Å; K175-R177 VanDerWaalsContact O-N 3.16Å; R177-I179 HydrophobicContact CB-CD1 3.95Å; R177-I179 HydrophobicContact CB-CG1 3.97Å; R177-I179 PolarHBondContact O-N 2.68Å
178	Q	97.6	Very high	97.5	Very high	180 Å²	180	49.1 Å²	49.1	84%	0.841	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	33.1	-175.4	-55.3	178.4	-23	0	0	113.4	A174 K175	A174-Q178 PolarHBondContact O-N 3.13Å; K175-Q178 PolarHBondContact O-N 2.97Å
179	I	98.4	Very high	97.7	Very high	22 Å²	22	44.5 Å²	44.5	11%	0.113	22%	0.223	C	C	.	.			trans	-94	118.8	176.7	-63.6	177.7	0	0	0	108.2	F130 V134 V141 A174 R177	F130-I179 HydrophobicContact CE2-CD1 4.32Å; F130-I179 HydrophobicContact CZ-CD1 4.28Å; V134-I179 HydrophobicContact CG1-CD1 4.42Å; V134-I179 HydrophobicContact CG2-CD1 3.49Å; V134-I179 VanDerWaalsContact CG2-CD1 3.49Å; V141-I179 HydrophobicContact CG1-CG2 4.25Å; V141-I179 HydrophobicContact CG2-CG2 4.21Å; A174-I179 HydrophobicContact CB-CB 4.27Å; A174-I179 PolarHBondContact O-N 2.66Å; R177-I179 HydrophobicContact CB-CD1 3.95Å; R177-I179 HydrophobicContact CB-CG1 3.97Å; R177-I179 PolarHBondContact O-N 2.68Å
180	P	98.4	Very high	97.7	Very high	53 Å²	53	39.2 Å²	39.2	34%	0.344	20%	0.199	S	C	.	.			trans	-62	142.6	175.5	22.1	-31	0	0	0	111.6	T139 E140 V141 Y215	T139-P180 WeakPolarHBondContact O-CD 3.11Å; E140-P180 HydrophobicContact CB-CG 4.04Å; E140-P180 HydrophobicContact CG-CB 4.32Å; E140-P180 HydrophobicContact CG-CG 3.92Å; V141-P180 PolarHBondContact N-O 2.72Å; V141-P180 VanDerWaalsContact N-O 3.07Å; P180-Y215 HydrophobicContact CB-CD1 3.78Å; P180-Y215 HydrophobicContact CB-CE1 3.96Å
181	V	98.7	Very high	97.6	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.4	176.6	-171	0	0	0	0	110	V141 V143 I171 A174 C214 Y215	V141-V181 HydrophobicContact CG2-CB 4.41Å; V141-V181 HydrophobicContact CG2-CG1 4.28Å; V141-V181 HydrophobicContact CG2-CG2 3.83Å; V141-V181 CarbonylContact O-C 3.53Å; V141-V181 VanDerWaalsContact O-CA 3.3Å; V141-V181 WeakPolarHBondContact O-CA 3.25Å; V143-V181 HydrophobicContact CG1-CG1 4.17Å; V143-V181 HydrophobicContact CG2-CG1 4.1Å; I171-V181 HydrophobicContact CG1-CB 4.46Å; I171-V181 HydrophobicContact CG1-CG1 4.05Å; I171-V181 HydrophobicContact CG1-CG2 4.45Å; A174-V181 HydrophobicContact CB-CG2 3.38Å; V181-C214 CarbonylContact O-C 3.59Å; V181-C214 WeakPolarHBondContact O-CA 3.14Å; V181-Y215 WeakPolarHBondContact O-CD1 3.34Å; V181-Y215 PolarHBondContact O-N 2.98Å
182	R	98.8	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.7	169.4	-164.9	178.8	-165.4	-134.7	-0.3	110	V141 A142 V143 Y184 Y215 E216 A248 D274	V141-R182 PolarHBondContact O-N 3.18Å; A142-R182 CarbonylContact C-O 3.55Å; A142-R182 WeakPolarHBondContact CA-O 3.49Å; A142-R182 HydrophobicContact CB-CB 4.11Å; V143-R182 PolarHBondContact N-O 2.81Å; R182-Y184 VanDerWaalsContact NH1-CZ 3.34Å; R182-Y184 PolarHBondContact NH1-OH 3.44Å; R182-Y215 HydrophobicContact CB-CE1 4.1Å; R182-E216 HydrophobicContact CG-CB 4.45Å; R182-E216 IonicContact CZ-OE1 3.06Å; R182-E216 IonicContact NE-OE1 3.52Å; R182-E216 PolarHBondContact NE-OE1 3.08Å; R182-E216 IonicContact NH2-OE1 3.63Å; R182-E216 PolarHBondContact NH2-OE1 2.69Å; R182-A248 VanDerWaalsContact NH2-CB 3.33Å; R182-D274 IonicContact CZ-OD1 2.91Å; R182-D274 IonicContact CZ-OD2 2.86Å; R182-D274 VanDerWaalsContact NH1-CG 3.31Å; R182-D274 IonicContact NH1-OD1 2.68Å; R182-D274 PolarHBondContact NH1-OD1 3.14Å; R182-D274 IonicContact NH1-OD2 3.43Å; R182-D274 PolarHBondContact NH1-OD2 2.81Å; R182-D274 IonicContact NH2-OD1 3.06Å; R182-D274 PolarHBondContact NH2-OD1 3.37Å; R182-D274 IonicContact NH2-OD2 2.66Å
183	G	98.4	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.5	175.5	0	0	0	0	0	111.5	E216 I217 S218	G183-E216 PolarHBondContact N-O 3.04Å; G183-I217 CarbonylContact O-C 3.49Å; G183-I217 VanDerWaalsContact O-CA 3.3Å; G183-I217 WeakPolarHBondContact O-CA 3.29Å; G183-S218 PolarHBondContact O-N 2.66Å
184	Y	98.4	Very high	96.8	Very high	16 Å²	16	43.7 Å²	43.7	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143	168.1	-69.3	-88.1	0	0	0	110.8	E89 L123 A142 V143 G145 R182 S218 D274	E89-Y184 VanDerWaalsContact OE1-CE2 3.31Å; E89-Y184 WeakPolarHBondContact OE1-CE2 3.44Å; E89-Y184 VanDerWaalsContact OE1-CZ 3.3Å; E89-Y184 PolarHBondContact OE1-OH 3.28Å; L123-Y184 HydrophobicContact CD1-CD2 4.42Å; A142-Y184 HydrophobicContact CB-CD2 4.02Å; A142-Y184 HydrophobicContact CB-CE2 3.6Å; V143-Y184 PolarHBondContact O-N 2.99Å; G145-Y184 PolarHBondContact N-O 3.44Å; R182-Y184 VanDerWaalsContact NH1-CZ 3.34Å; R182-Y184 PolarHBondContact NH1-OH 3.44Å; Y184-S218 WeakPolarHBondContact CA-O 3.47Å; Y184-S218 VanDerWaalsContact CD1-CB 3.48Å; Y184-D274 VanDerWaalsContact CE1-OD2 3.32Å; Y184-D274 WeakPolarHBondContact CE1-OD2 2.98Å
185	V	98.3	Very high	96.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	103.8	171.2	-174.6	0	0	0	0	109.1	A147 V202 V205 A206 L209 I217 S218 L219 G220	A147-V185 HydrophobicContact CB-CG1 4.08Å; V185-V202 HydrophobicContact CG1-CG1 4.22Å; V185-V205 HydrophobicContact CB-CG1 4.49Å; V185-V205 HydrophobicContact CG1-CB 4.28Å; V185-V205 HydrophobicContact CG1-CG1 3.9Å; V185-V205 HydrophobicContact CG2-CG1 3.84Å; V185-A206 HydrophobicContact CG2-CB 4.45Å; V185-L209 HydrophobicContact CG2-CD1 3.64Å; V185-I217 HydrophobicContact CG2-CG2 3.76Å; V185-S218 PolarHBondContact N-O 3.49Å; V185-L219 HydrophobicContact CB-CD2 4.32Å; V185-L219 HydrophobicContact CG2-CD2 4.44Å; V185-G220 WeakPolarHBondContact O-CA 3.47Å; V185-G220 PolarHBondContact O-N 3.15Å
186	S	96.2	Very high	96.6	Very high	17 Å²	17	44.1 Å²	44.1	12%	0.119	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	161.7	175	62.9	0	0	0	0	112.3	G145 S146 A147 F151 A188 T222	G145-S186 PolarHBondContact O-N 3.33Å; G145-S186 PolarHBondContact O-OG 2.88Å; S146-S186 VanDerWaalsContact CA-OG 3.31Å; S146-S186 WeakPolarHBondContact CA-OG 3.42Å; S146-S186 VanDerWaalsContact CB-OG 3.22Å; S146-S186 WeakPolarHBondContact CB-OG 3.32Å; S146-S186 PolarHBondContact OG-OG 2.89Å; A147-S186 PolarHBondContact N-O 3.23Å; F151-S186 WeakPolarHBondContact CD1-OG 3.38Å; F151-S186 VanDerWaalsContact CE1-OG 3.25Å; F151-S186 WeakPolarHBondContact CE1-OG 3.47Å; S186-A188 VanDerWaalsContact C-N 3.26Å; S186-A188 PolarHBondContact O-N 2.73Å; S186-T222 WeakPolarHBondContact CA-OG1 3.48Å; S186-T222 VanDerWaalsContact CB-OG1 3.3Å; S186-T222 WeakPolarHBondContact CB-OG1 3.28Å
187	C	96.6	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	29.4	178.9	-59.6	0	0	0	0	114.6	F151 L189 G190 C191 I197 G220 T222	F151-C187 WeakPolarHBondContact CD2-SG 3.46Å; F151-C187 WeakPolarHBondContact CG-SG 3.46Å; C187-L189 VanDerWaalsContact C-N 3.25Å; C187-L189 PolarHBondContact O-N 3.44Å; C187-G190 CarbonylContact C-O 3.6Å; C187-G190 WeakPolarHBondContact CA-O 3.19Å; C187-G190 VanDerWaalsContact CB-O 3.27Å; C187-G190 WeakPolarHBondContact CB-O 3.25Å; C187-G190 PolarHBondContact O-N 3.12Å; C187-C191 HydrophobicContact CB-CB 4.18Å; C187-I197 HydrophobicContact CB-CG1 4.48Å; C187-G220 PolarHBondContact N-O 3.2Å; C187-T222 PolarHBondContact N-OG1 3.29Å
188	A	98.1	Very high	96.7	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.025	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.9	-177.1	0	0	0	0	0	113.3	S186 V202 L219 G220 M234	S186-A188 VanDerWaalsContact C-N 3.26Å; S186-A188 PolarHBondContact O-N 2.73Å; A188-V202 HydrophobicContact CB-CG1 3.93Å; A188-V202 HydrophobicContact CB-CG2 4.4Å; A188-V202 WeakPolarHBondContact O-CG2 3.33Å; A188-L219 HydrophobicContact CB-CB 4.37Å; A188-G220 WeakPolarHBondContact CB-O 3.47Å; A188-G220 PolarHBondContact N-O 3.03Å; A188-M234 HydrophobicContact CB-CE 4.42Å
189	L	98	Very high	96.7	Very high	15 Å²	15	29.3 Å²	29.3	8%	0.079	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	6	-179.9	-59.6	-174	0	0	0	114.1	C187 D221 M231 M234	C187-L189 VanDerWaalsContact C-N 3.25Å; C187-L189 PolarHBondContact O-N 3.44Å; L189-D221 HydrophobicContact CB-CB 4.15Å; L189-D221 HydrophobicContact CD1-CB 3.88Å; L189-D221 HydrophobicContact CG-CB 4.14Å; L189-M231 HydrophobicContact CD1-CB 4.12Å; L189-M231 HydrophobicContact CD1-CE 3.83Å; L189-M231 HydrophobicContact CD1-SD 4.27Å; L189-M234 HydrophobicContact CD2-CB 3.6Å; L189-M234 HydrophobicContact CD2-CE 3.96Å; L189-M234 HydrophobicContact CD2-CG 3.89Å
190	G	96.2	Very high	96.7	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.031	18%	0.181	C	C	.	.			trans	154.5	157	-179.6	0	0	0	0	0	112.5	C187 G195	C187-G190 CarbonylContact C-O 3.6Å; C187-G190 WeakPolarHBondContact CA-O 3.19Å; C187-G190 VanDerWaalsContact CB-O 3.27Å; C187-G190 WeakPolarHBondContact CB-O 3.25Å; C187-G190 PolarHBondContact O-N 3.12Å; G190-G195 CarbonylContact C-O 3.57Å; G190-G195 WeakPolarHBondContact CA-O 3.13Å
191	C	95.3	Very high	96.7	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.027	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-121	138	179.8	172.7	0	0	0	0	110.6	S148 C187 H193 E194 G195 I197	S148-C191 PolarHBondContact OG-SG 3.2Å; C187-C191 HydrophobicContact CB-CB 4.18Å; C191-H193 PolarHBondContact O-N 3.02Å; C191-H193 PolarHBondContact SG-N 3.18Å; C191-E194 HydrophobicContact CB-CB 4.06Å; C191-E194 PolarHBondContact SG-N 2.82Å; C191-G195 PolarHBondContact N-O 3.26Å; C191-G195 VanDerWaalsContact O-CA 3.29Å; C191-G195 WeakPolarHBondContact O-CA 3.17Å; C191-G195 PolarHBondContact O-N 2.81Å; C191-I197 HydrophobicContact CB-CD1 3.73Å; C191-I197 HydrophobicContact CB-CG1 3.79Å
192	P	91.9	Very high	96.7	Very high	44 Å²	44	32.3 Å²	32.3	29%	0.286	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-4	176.8	28	-35.2	0	0	0	113.9	F151 I223 Y285	F151-P192 HydrophobicContact CD2-CG 3.93Å; F151-P192 HydrophobicContact CE2-CG 4.08Å; P192-I223 HydrophobicContact CB-CG2 4.16Å; P192-I223 HydrophobicContact CG-CG2 4.07Å; P192-Y285 HydrophobicContact CB-CD1 4.04Å; P192-Y285 HydrophobicContact CB-CD2 4.48Å; P192-Y285 HydrophobicContact CB-CG 3.92Å; P192-Y285 HydrophobicContact CG-CD1 3.95Å; P192-Y285 HydrophobicContact CG-CD2 4.1Å; P192-Y285 HydrophobicContact CG-CE1 4.14Å; P192-Y285 HydrophobicContact CG-CE2 4.3Å; P192-Y285 HydrophobicContact CG-CG 3.92Å
193	H	91.8	Very high	96.7	Very high	63 Å²	63	32.5 Å²	32.5	29%	0.292	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-42.8	-175.7	-54.8	-34.9	0	0	0	112.7	T150 R154 C191 Y285	T150-H193 HydrophobicContact CG2-CB 3.63Å; R154-H193 VanDerWaalsContact CD-CD2 3.44Å; R154-H193 WeakPolarHBondContact CD-CD2 3.44Å; R154-H193 VanDerWaalsContact CD-NE2 3.32Å; R154-H193 WeakPolarHBondContact CD-NE2 3.42Å; R154-H193 PolarHBondContact NH1-CE1 3.45Å; R154-H193 PolarHBondContact NH1-ND1 3.31Å; R154-H193 PolarHBondContact NH1-NE2 2.96Å; C191-H193 PolarHBondContact O-N 3.02Å; C191-H193 PolarHBondContact SG-N 3.18Å; H193-Y285 AromaticContact CE1-CE1 3.93Å; H193-Y285 AromaticContact NE2-CE1 3.83Å
194	E	92.3	Very high	96.6	Very high	73 Å²	73	39.2 Å²	39.2	34%	0.341	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-14.1	180	-68.9	170	-177.4	0	0	112.3	S148 T150 C191 H196 I197	S148-E194 WeakPolarHBondContact CA-OE2 3.35Å; S148-E194 VanDerWaalsContact CB-OE2 3.27Å; S148-E194 WeakPolarHBondContact CB-OE2 3.32Å; S148-E194 PolarHBondContact OG-OE1 3.09Å; S148-E194 PolarHBondContact OG-OE2 3.38Å; T150-E194 WeakPolarHBondContact CB-OE1 3.44Å; T150-E194 PolarHBondContact N-OE1 3.01Å; T150-E194 PolarHBondContact OG1-OE1 2.82Å; C191-E194 HydrophobicContact CB-CB 4.06Å; C191-E194 PolarHBondContact SG-N 2.82Å; E194-H196 PolarHBondContact O-N 2.74Å; E194-I197 HydrophobicContact CB-CD1 4.25Å
195	G	94.6	Very high	96.6	Very high	40 Å²	40	38.8 Å²	38.8	41%	0.412	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	75.4	-110.2	-176	0	0	0	0	0	110.9	G190 C191	G190-G195 CarbonylContact C-O 3.57Å; G190-G195 WeakPolarHBondContact CA-O 3.13Å; C191-G195 PolarHBondContact N-O 3.26Å; C191-G195 VanDerWaalsContact O-CA 3.29Å; C191-G195 WeakPolarHBondContact O-CA 3.17Å; C191-G195 PolarHBondContact O-N 2.81Å
196	H	96.3	Very high	96.6	Very high	129 Å²	129	38.8 Å²	38.8	60%	0.597	21%	0.211	S	C	*	.			trans	-68.8	137.6	-178.9	-172.6	57.8	0	0	0	111.2	E194 E198	E194-H196 PolarHBondContact O-N 2.74Å; H196-E198 IonicContact CD2-OE1 3.31Å; H196-E198 PolarHBondContact CD2-OE1 2.8Å; H196-E198 VanDerWaalsContact CD2-OE1 3.31Å; H196-E198 IonicContact NE2-OE1 3.36Å; H196-E198 PolarHBondContact NE2-OE1 3.39Å; H196-E198 IonicContact NE2-OE2 4Å
197	I	97.8	Very high	96.7	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	22%	0.219	C	C	.	.			trans	-118.4	127.4	172.1	-62.4	-61.6	0	0	0	107.3	A147 C187 C191 E194 Q201 V202	A147-I197 HydrophobicContact CB-CG2 3.78Å; C187-I197 HydrophobicContact CB-CG1 4.48Å; C191-I197 HydrophobicContact CB-CD1 3.73Å; C191-I197 HydrophobicContact CB-CG1 3.79Å; E194-I197 HydrophobicContact CB-CD1 4.25Å; I197-Q201 HydrophobicContact CG2-CB 4.38Å; I197-V202 HydrophobicContact CG2-CG2 3.97Å
198	E	98.1	Very high	96.8	Very high	99 Å²	99	45.4 Å²	45.4	46%	0.463	24%	0.238	S	C	.	.			trans	-71.7	135.3	-179.3	-71.1	-66	154.1	0	0	110.1	H196 S200 Q201	H196-E198 IonicContact CD2-OE1 3.31Å; H196-E198 PolarHBondContact CD2-OE1 2.8Å; H196-E198 VanDerWaalsContact CD2-OE1 3.31Å; H196-E198 IonicContact NE2-OE1 3.36Å; H196-E198 PolarHBondContact NE2-OE1 3.39Å; H196-E198 IonicContact NE2-OE2 4Å; E198-S200 PolarHBondContact O-N 2.86Å; E198-S200 VanDerWaalsContact O-N 3.07Å; E198-Q201 HydrophobicContact CB-CG 4.18Å; E198-Q201 VanDerWaalsContact N-OE1 3.09Å; E198-Q201 WeakPolarHBondContact O-CB 3.43Å; E198-Q201 PolarHBondContact O-N 3.24Å
199	P	98.4	Very high	96.8	Very high	23 Å²	23	45.3 Å²	45.3	15%	0.149	24%	0.236	C	C	.	.	H	α-helix	trans	-51	-32.8	176.6	-33.7	39.3	0	0	0	115.1	Q201 V202 A203 K233 T237	P199-Q201 VanDerWaalsContact C-N 3.32Å; P199-Q201 PolarHBondContact O-N 3.43Å; P199-V202 WeakPolarHBondContact O-CB 3.42Å; P199-V202 PolarHBondContact O-N 3.11Å; P199-A203 PolarHBondContact O-N 2.78Å; P199-K233 HydrophobicContact CG-CB 4.41Å; P199-T237 HydrophobicContact CB-CG2 3.95Å; P199-T237 VanDerWaalsContact CB-OG1 3.24Å; P199-T237 WeakPolarHBondContact CB-OG1 3.45Å
200	S	98.3	Very high	96.8	Very high	73 Å²	73	48.7 Å²	48.7	51%	0.51	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-33.4	177.9	53.3	0	0	0	0	112.9	E198 V202 A203 E204	E198-S200 PolarHBondContact O-N 2.86Å; E198-S200 VanDerWaalsContact O-N 3.07Å; S200-V202 VanDerWaalsContact C-N 3.34Å; S200-A203 PolarHBondContact O-N 2.88Å; S200-E204 PolarHBondContact O-N 3.06Å
201	Q	97.8	Very high	96.9	Very high	71 Å²	71	55.2 Å²	55.2	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-67	-39.4	175.5	-62.1	176.9	-91	0	0	110.8	I197 E198 P199 V205	I197-Q201 HydrophobicContact CG2-CB 4.38Å; E198-Q201 HydrophobicContact CB-CG 4.18Å; E198-Q201 VanDerWaalsContact N-OE1 3.09Å; E198-Q201 WeakPolarHBondContact O-CB 3.43Å; E198-Q201 PolarHBondContact O-N 3.24Å; P199-Q201 VanDerWaalsContact C-N 3.32Å; P199-Q201 PolarHBondContact O-N 3.43Å; Q201-V205 WeakPolarHBondContact O-CG2 3.29Å; Q201-V205 PolarHBondContact O-N 3.09Å
202	V	98.5	Very high	97	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-45.5	174.8	-170.8	0	0	0	0	110.3	A147 V185 A188 I197 P199 S200 E204 V205 A206 L219 M234 V238	A147-V202 HydrophobicContact CB-CB 4.43Å; A147-V202 HydrophobicContact CB-CG2 3.83Å; V185-V202 HydrophobicContact CG1-CG1 4.22Å; A188-V202 HydrophobicContact CB-CG1 3.93Å; A188-V202 HydrophobicContact CB-CG2 4.4Å; A188-V202 WeakPolarHBondContact O-CG2 3.33Å; I197-V202 HydrophobicContact CG2-CG2 3.97Å; P199-V202 WeakPolarHBondContact O-CB 3.42Å; P199-V202 PolarHBondContact O-N 3.11Å; S200-V202 VanDerWaalsContact C-N 3.34Å; V202-E204 PolarHBondContact O-N 2.87Å; V202-V205 PolarHBondContact O-N 3.34Å; V202-A206 VanDerWaalsContact O-CB 3.28Å; V202-A206 WeakPolarHBondContact O-CB 3.37Å; V202-A206 PolarHBondContact O-N 3.49Å; V202-L219 HydrophobicContact CG1-CD2 3.86Å; V202-M234 HydrophobicContact CB-CG 4.3Å; V202-M234 HydrophobicContact CG1-CG 4.1Å; V202-M234 HydrophobicContact CG1-SD 4.01Å; V202-M234 HydrophobicContact CG2-CG 4.23Å; V202-V238 HydrophobicContact CB-CG2 4.32Å; V202-V238 HydrophobicContact CG1-CG2 3.99Å
203	A	98.6	Very high	97.3	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-42.6	178.1	0	0	0	0	0	112.5	P199 S200 V205 A206 K207 T237 V238	P199-A203 PolarHBondContact O-N 2.78Å; S200-A203 PolarHBondContact O-N 2.88Å; A203-V205 PolarHBondContact O-N 3.01Å; A203-A206 PolarHBondContact O-N 3.34Å; A203-K207 WeakPolarHBondContact O-CB 3.35Å; A203-K207 PolarHBondContact O-N 2.65Å; A203-T237 HydrophobicContact CB-CG2 4.03Å; A203-V238 HydrophobicContact CB-CG2 4.13Å
204	E	98.2	Very high	97.6	Very high	140 Å²	140	53.8 Å²	53.8	65%	0.654	28%	0.28	S	S	*	.	H	α-helix	trans	-59.3	-47.5	177	-175.1	-178.3	167.6	0	0	111.8	S200 V202 K208	S200-E204 PolarHBondContact O-N 3.06Å; V202-E204 PolarHBondContact O-N 2.87Å; E204-K208 WeakPolarHBondContact O-CB 3.31Å; E204-K208 PolarHBondContact O-N 2.89Å
205	V	98.1	Very high	97.9	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-45.6	179.6	174.8	0	0	0	0	111.4	I160 M164 V185 Q201 V202 A203 K208 L209	I160-V205 HydrophobicContact CG2-CG2 3.92Å; M164-V205 HydrophobicContact CE-CG1 3.68Å; V185-V205 HydrophobicContact CB-CG1 4.49Å; V185-V205 HydrophobicContact CG1-CB 4.28Å; V185-V205 HydrophobicContact CG1-CG1 3.9Å; V185-V205 HydrophobicContact CG2-CG1 3.84Å; Q201-V205 WeakPolarHBondContact O-CG2 3.29Å; Q201-V205 PolarHBondContact O-N 3.09Å; V202-V205 PolarHBondContact O-N 3.34Å; A203-V205 PolarHBondContact O-N 3.01Å; V205-K208 PolarHBondContact O-N 2.79Å; V205-L209 HydrophobicContact CG1-CD1 4.16Å; V205-L209 WeakPolarHBondContact O-CG 3.29Å; V205-L209 PolarHBondContact O-N 2.87Å
206	A	98.6	Very high	98.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-45.9	179	0	0	0	0	0	111.7	V185 V202 A203 K208 L209 Y210 I217 L219 V238 V242	V185-A206 HydrophobicContact CG2-CB 4.45Å; V202-A206 VanDerWaalsContact O-CB 3.28Å; V202-A206 WeakPolarHBondContact O-CB 3.37Å; V202-A206 PolarHBondContact O-N 3.49Å; A203-A206 PolarHBondContact O-N 3.34Å; A206-K208 VanDerWaalsContact C-N 3.35Å; A206-K208 PolarHBondContact O-N 2.98Å; A206-L209 PolarHBondContact O-N 2.93Å; A206-Y210 WeakPolarHBondContact O-CB 3.43Å; A206-Y210 PolarHBondContact O-N 3.36Å; A206-I217 HydrophobicContact CB-CG2 3.98Å; A206-L219 HydrophobicContact CB-CD2 4.23Å; A206-V238 HydrophobicContact CB-CG1 4Å; A206-V242 HydrophobicContact CB-CG2 4.22Å
207	K	98.4	Very high	98.2	Very high	69 Å²	69	46.4 Å²	46.4	30%	0.3	23%	0.232	S	C	.	.	H	α-helix	trans	-56.8	-48.6	175.1	-179.3	-178.5	-169.2	155.2	0	111.1	A203 L209 Y210 E211 D241 V242	A203-K207 WeakPolarHBondContact O-CB 3.35Å; A203-K207 PolarHBondContact O-N 2.65Å; K207-L209 PolarHBondContact O-N 2.79Å; K207-Y210 PolarHBondContact O-N 3.13Å; K207-E211 WeakPolarHBondContact CE-OE1 3.22Å; K207-E211 HydrophobicContact CG-CG 4.26Å; K207-E211 WeakPolarHBondContact O-CB 3.31Å; K207-E211 WeakPolarHBondContact O-CG 3.12Å; K207-E211 PolarHBondContact O-N 3.13Å; K207-D241 HydrophobicContact CB-CB 4.01Å; K207-D241 HydrophobicContact CD-CB 3.87Å; K207-D241 WeakPolarHBondContact CE-OD1 3.43Å; K207-D241 HydrophobicContact CG-CB 4.03Å; K207-D241 IonicContact NZ-OD1 2.76Å; K207-D241 PolarHBondContact NZ-OD1 3.01Å; K207-V242 HydrophobicContact CB-CG2 4.48Å
208	K	98.1	Very high	98.2	Very high	88 Å²	88	46.2 Å²	46.2	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-44.1	-178.8	-169.8	165.6	-177.6	178	0	112.2	M164 E204 V205 A206 Y210 E211 M212	M164-K208 HydrophobicContact CB-CD 4.2Å; M164-K208 HydrophobicContact CG-CD 3.91Å; M164-K208 HydrophobicContact SD-CD 4.13Å; M164-K208 HydrophobicContact SD-CG 4.21Å; E204-K208 WeakPolarHBondContact O-CB 3.31Å; E204-K208 PolarHBondContact O-N 2.89Å; V205-K208 PolarHBondContact O-N 2.79Å; A206-K208 VanDerWaalsContact C-N 3.35Å; A206-K208 PolarHBondContact O-N 2.98Å; K208-Y210 VanDerWaalsContact C-N 3.32Å; K208-Y210 PolarHBondContact O-N 3.45Å; K208-E211 PolarHBondContact O-N 3.25Å; K208-M212 HydrophobicContact CG-CE 4.21Å; K208-M212 HydrophobicContact CG-SD 4.45Å; K208-M212 WeakPolarHBondContact O-CB 3.45Å; K208-M212 VanDerWaalsContact O-CG 3.24Å; K208-M212 WeakPolarHBondContact O-CG 3.32Å; K208-M212 PolarHBondContact O-N 3.25Å
209	L	98.3	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-42.4	175.1	-72.8	168.6	0	0	0	112	V143 M164 F167 V185 V205 A206 K207 M212 G213 C214 I217	V143-L209 HydrophobicContact CG2-CD2 3.99Å; M164-L209 HydrophobicContact CE-CD2 4.33Å; M164-L209 HydrophobicContact CE-CG 4.33Å; M164-L209 HydrophobicContact SD-CD2 4.18Å; M164-L209 HydrophobicContact SD-CG 4.34Å; F167-L209 HydrophobicContact CD2-CD2 4.16Å; V185-L209 HydrophobicContact CG2-CD1 3.64Å; V205-L209 HydrophobicContact CG1-CD1 4.16Å; V205-L209 WeakPolarHBondContact O-CG 3.29Å; V205-L209 PolarHBondContact O-N 2.87Å; A206-L209 PolarHBondContact O-N 2.93Å; K207-L209 PolarHBondContact O-N 2.79Å; L209-M212 HydrophobicContact CD2-CE 3.72Å; L209-M212 HydrophobicContact CG-CE 4.3Å; L209-M212 PolarHBondContact O-N 2.97Å; L209-G213 PolarHBondContact O-N 2.99Å; L209-C214 VanDerWaalsContact O-CB 3.27Å; L209-C214 WeakPolarHBondContact O-CB 3.37Å; L209-C214 PolarHBondContact O-N 2.83Å; L209-C214 PolarHBondContact O-SG 3.37Å; L209-C214 VanDerWaalsContact O-SG 3.34Å; L209-I217 HydrophobicContact CB-CD1 3.52Å; L209-I217 HydrophobicContact CD1-CD1 4.49Å
210	Y	98.4	Very high	98.3	Very high	87 Å²	87	40.6 Å²	40.6	34%	0.341	20%	0.204	S	C	.	.	H	α-helix	trans	-65.4	-47.5	177.8	-174.6	-107.2	0	0	0	111.9	A206 K207 K208 M212 G213 C214 V242 P243 A246	A206-Y210 WeakPolarHBondContact O-CB 3.43Å; A206-Y210 PolarHBondContact O-N 3.36Å; K207-Y210 PolarHBondContact O-N 3.13Å; K208-Y210 VanDerWaalsContact C-N 3.32Å; K208-Y210 PolarHBondContact O-N 3.45Å; Y210-M212 VanDerWaalsContact C-N 3.3Å; Y210-M212 PolarHBondContact O-N 3.39Å; Y210-G213 PolarHBondContact O-N 3.24Å; Y210-C214 WeakPolarHBondContact CD2-O 3.45Å; Y210-V242 HydrophobicContact CD1-CG1 4.49Å; Y210-V242 HydrophobicContact CD2-CG1 4.12Å; Y210-V242 HydrophobicContact CG-CG1 4.05Å; Y210-P243 HydrophobicContact CE1-CG 4.16Å; Y210-P243 HydrophobicContact CE2-CG 4.2Å; Y210-P243 WeakPolarHBondContact OH-CG 3.46Å; Y210-A246 HydrophobicContact CD2-CB 4.03Å; Y210-A246 HydrophobicContact CE2-CB 3.55Å
211	E	97.8	Very high	98.2	Very high	139 Å²	139	37.2 Å²	37.2	65%	0.65	18%	0.18	S	C	*	.	H	α-helix	trans	-62.8	-33.3	177.4	-74	178	168.7	0	0	113	K207 K208 G213	K207-E211 WeakPolarHBondContact CE-OE1 3.22Å; K207-E211 HydrophobicContact CG-CG 4.26Å; K207-E211 WeakPolarHBondContact O-CB 3.31Å; K207-E211 WeakPolarHBondContact O-CG 3.12Å; K207-E211 PolarHBondContact O-N 3.13Å; K208-E211 PolarHBondContact O-N 3.25Å; E211-G213 PolarHBondContact O-N 3.35Å
212	M	96.9	Very high	98	Very high	36 Å²	36	35.1 Å²	35.1	18%	0.177	17%	0.172	C	C	.	.	H	α-helix	trans	-67.2	-23.5	174	-74	-175.4	-59.1	0	0	112.6	M164 F167 E168 I171 K208 L209 Y210	M164-M212 HydrophobicContact SD-CE 3.66Å; F167-M212 HydrophobicContact CB-CE 4.38Å; E168-M212 HydrophobicContact CB-SD 4.16Å; I171-M212 HydrophobicContact CD1-CB 3.73Å; I171-M212 HydrophobicContact CD1-CE 3.94Å; I171-M212 HydrophobicContact CD1-SD 4.31Å; I171-M212 HydrophobicContact CG2-CB 4.45Å; I171-M212 WeakPolarHBondContact CG2-O 3.35Å; K208-M212 HydrophobicContact CG-CE 4.21Å; K208-M212 HydrophobicContact CG-SD 4.45Å; K208-M212 WeakPolarHBondContact O-CB 3.45Å; K208-M212 VanDerWaalsContact O-CG 3.24Å; K208-M212 WeakPolarHBondContact O-CG 3.32Å; K208-M212 PolarHBondContact O-N 3.25Å; L209-M212 HydrophobicContact CD2-CE 3.72Å; L209-M212 HydrophobicContact CG-CE 4.3Å; L209-M212 PolarHBondContact O-N 2.97Å; Y210-M212 VanDerWaalsContact C-N 3.3Å; Y210-M212 PolarHBondContact O-N 3.39Å
213	G	97.6	Very high	97.8	Very high	44 Å²	44	35.9 Å²	35.9	45%	0.454	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	122.9	13.2	175.7	0	0	0	0	0	115.3	L209 Y210 E211 Y215	L209-G213 PolarHBondContact O-N 2.99Å; Y210-G213 PolarHBondContact O-N 3.24Å; E211-G213 PolarHBondContact O-N 3.35Å; G213-Y215 PolarHBondContact O-N 3.2Å
214	C	98.5	Very high	97.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	18%	0.175	C	C	.	.			trans	-65.7	130	168.6	-63.4	0	0	0	0	109.6	V181 L209 Y210 I217	V181-C214 CarbonylContact O-C 3.59Å; V181-C214 WeakPolarHBondContact O-CA 3.14Å; L209-C214 VanDerWaalsContact O-CB 3.27Å; L209-C214 WeakPolarHBondContact O-CB 3.37Å; L209-C214 PolarHBondContact O-N 2.83Å; L209-C214 PolarHBondContact O-SG 3.37Å; L209-C214 VanDerWaalsContact O-SG 3.34Å; Y210-C214 WeakPolarHBondContact CD2-O 3.45Å; C214-I217 HydrophobicContact CB-CD1 3.55Å
215	Y	98.4	Very high	97.6	Very high	82 Å²	82	31.8 Å²	31.8	32%	0.322	16%	0.16	S	C	.	.	S	Bend	trans	-78.8	-25	-176.5	79.8	-92.2	0	0	0	112.7	E140 P180 V181 R182 G213 A246	E140-Y215 HydrophobicContact CG-CE1 4.49Å; E140-Y215 WeakPolarHBondContact OE1-CE1 3.06Å; E140-Y215 PolarHBondContact OE1-OH 3.29Å; P180-Y215 HydrophobicContact CB-CD1 3.78Å; P180-Y215 HydrophobicContact CB-CE1 3.96Å; V181-Y215 WeakPolarHBondContact O-CD1 3.34Å; V181-Y215 PolarHBondContact O-N 2.98Å; R182-Y215 HydrophobicContact CB-CE1 4.1Å; G213-Y215 PolarHBondContact O-N 3.2Å; Y215-A246 WeakPolarHBondContact O-CB 3.31Å
216	E	98.8	Very high	97.6	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.023	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	138.9	-179.1	-176.9	-179.5	101.8	0	0	109.8	K51 R182 G183 A246 A248	K51-E216 IonicContact NZ-OE1 2.68Å; K51-E216 IonicContact NZ-OE2 3.33Å; K51-E216 PolarHBondContact NZ-OE2 3.31Å; R182-E216 HydrophobicContact CG-CB 4.45Å; R182-E216 IonicContact CZ-OE1 3.06Å; R182-E216 IonicContact NE-OE1 3.52Å; R182-E216 PolarHBondContact NE-OE1 3.08Å; R182-E216 IonicContact NH2-OE1 3.63Å; R182-E216 PolarHBondContact NH2-OE1 2.69Å; G183-E216 PolarHBondContact N-O 3.04Å; E216-A246 CarbonylContact C-O 3.58Å; E216-A246 VanDerWaalsContact CA-O 3.31Å; E216-A246 WeakPolarHBondContact CA-O 3.37Å; E216-A248 HydrophobicContact CG-CB 4.19Å
217	I	98.8	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.5	179.7	-49.2	-57.2	0	0	0	109.6	G183 V185 A206 L209 C214 L219 V242 A246 L247 A248	G183-I217 CarbonylContact O-C 3.49Å; G183-I217 VanDerWaalsContact O-CA 3.3Å; G183-I217 WeakPolarHBondContact O-CA 3.29Å; V185-I217 HydrophobicContact CG2-CG2 3.76Å; A206-I217 HydrophobicContact CB-CG2 3.98Å; L209-I217 HydrophobicContact CB-CD1 3.52Å; L209-I217 HydrophobicContact CD1-CD1 4.49Å; C214-I217 HydrophobicContact CB-CD1 3.55Å; I217-L219 HydrophobicContact CG2-CD2 4.18Å; I217-V242 HydrophobicContact CG1-CG1 4.48Å; I217-A246 PolarHBondContact N-O 3.21Å; I217-L247 HydrophobicContact CB-CD2 4.29Å; I217-A248 PolarHBondContact O-N 2.98Å
218	S	98.8	Very high	97.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.2	174.2	-177.7	0	0	0	0	111.2	G183 Y184 V185 H250 D274	G183-S218 PolarHBondContact O-N 2.66Å; Y184-S218 WeakPolarHBondContact CA-O 3.47Å; Y184-S218 VanDerWaalsContact CD1-CB 3.48Å; V185-S218 PolarHBondContact N-O 3.49Å; S218-H250 WeakPolarHBondContact OG-CB 3.11Å; S218-D274 WeakPolarHBondContact CB-OD2 3.44Å; S218-D274 PolarHBondContact OG-OD2 3.27Å
219	L	98.8	Very high	97.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	108.8	-176.2	-59.2	167.7	0	0	0	109.4	V185 A188 V202 A206 I217 M234 L235 V238 L247 A248 H250	V185-L219 HydrophobicContact CB-CD2 4.32Å; V185-L219 HydrophobicContact CG2-CD2 4.44Å; A188-L219 HydrophobicContact CB-CB 4.37Å; V202-L219 HydrophobicContact CG1-CD2 3.86Å; A206-L219 HydrophobicContact CB-CD2 4.23Å; I217-L219 HydrophobicContact CG2-CD2 4.18Å; L219-M234 HydrophobicContact CB-CE 3.96Å; L219-M234 HydrophobicContact CB-SD 4.35Å; L219-M234 HydrophobicContact CD1-CE 3.99Å; L219-M234 HydrophobicContact CD1-SD 3.73Å; L219-M234 HydrophobicContact CD2-SD 4.46Å; L219-M234 HydrophobicContact CG-SD 4.41Å; L219-L235 HydrophobicContact CD1-CD2 3.65Å; L219-V238 HydrophobicContact CD1-CG1 4.2Å; L219-V238 HydrophobicContact CD1-CG2 4.44Å; L219-V238 HydrophobicContact CD2-CG2 4.5Å; L219-L247 HydrophobicContact CD1-CD2 4.1Å; L219-A248 PolarHBondContact N-O 3.47Å; L219-H250 PolarHBondContact O-N 3.37Å
220	G	97.8	Very high	97.6	Very high	4 Å²	4	33.1 Å²	33.1	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116	-168.4	0	0	0	0	0	114.6	V185 C187 A188 T222 H250	V185-G220 WeakPolarHBondContact O-CA 3.47Å; V185-G220 PolarHBondContact O-N 3.15Å; C187-G220 PolarHBondContact N-O 3.2Å; A188-G220 WeakPolarHBondContact CB-O 3.47Å; A188-G220 PolarHBondContact N-O 3.03Å; G220-T222 PolarHBondContact O-N 3.05Å; G220-T222 VanDerWaalsContact O-N 3.09Å; G220-T222 PolarHBondContact O-OG1 3.48Å; G220-H250 CarbonylContact C-O 3.57Å; G220-H250 VanDerWaalsContact CA-O 3.31Å; G220-H250 WeakPolarHBondContact CA-O 2.94Å
221	D	97.5	Very high	97.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	73	158.4	-175.4	9.4	0	0	0	109.8	L189 I223 G224 V225 G226 H250 H252	L189-D221 HydrophobicContact CB-CB 4.15Å; L189-D221 HydrophobicContact CD1-CB 3.88Å; L189-D221 HydrophobicContact CG-CB 4.14Å; D221-I223 PolarHBondContact O-N 3.46Å; D221-I223 VanDerWaalsContact O-N 3.1Å; D221-G224 VanDerWaalsContact CG-CA 3.47Å; D221-G224 PolarHBondContact O-N 3.14Å; D221-G224 VanDerWaalsContact O-N 3.09Å; D221-G224 WeakPolarHBondContact OD1-CA 3.46Å; D221-G224 PolarHBondContact OD1-N 2.98Å; D221-G224 VanDerWaalsContact OD2-C 3.28Å; D221-G224 VanDerWaalsContact OD2-CA 3.27Å; D221-G224 WeakPolarHBondContact OD2-CA 3.37Å; D221-V225 PolarHBondContact OD1-N 3.03Å; D221-V225 VanDerWaalsContact OD1-N 3.13Å; D221-V225 PolarHBondContact OD2-N 3.29Å; D221-G226 VanDerWaalsContact OD2-CA 3.32Å; D221-G226 WeakPolarHBondContact OD2-CA 3.35Å; D221-G226 PolarHBondContact OD2-N 3.43Å; D221-H250 PolarHBondContact N-O 3.02Å; D221-H252 WeakPolarHBondContact O-CB 3.47Å; D221-H252 PolarHBondContact O-N 3.31Å
222	T	93.5	Very high	97.7	Very high	27 Å²	27	26.9 Å²	26.9	17%	0.166	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-25	-170.1	-47.9	0	0	0	0	114.2	F151 S186 C187 G220 H252	F151-T222 HydrophobicContact CZ-CG2 4.03Å; S186-T222 WeakPolarHBondContact CA-OG1 3.48Å; S186-T222 VanDerWaalsContact CB-OG1 3.3Å; S186-T222 WeakPolarHBondContact CB-OG1 3.28Å; C187-T222 PolarHBondContact N-OG1 3.29Å; G220-T222 PolarHBondContact O-N 3.05Å; G220-T222 VanDerWaalsContact O-N 3.09Å; G220-T222 PolarHBondContact O-OG1 3.48Å; T222-H252 PolarHBondContact O-CE1 2.85Å; T222-H252 PolarHBondContact O-ND1 2.84Å
223	I	93.8	Very high	97.8	Very high	17 Å²	17	31.4 Å²	31.4	9%	0.087	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-1.6	-179	57.7	167.9	0	0	0	112.6	P192 D221 V225 T254 Y285	P192-I223 HydrophobicContact CB-CG2 4.16Å; P192-I223 HydrophobicContact CG-CG2 4.07Å; D221-I223 PolarHBondContact O-N 3.46Å; D221-I223 VanDerWaalsContact O-N 3.1Å; I223-V225 VanDerWaalsContact C-N 3.3Å; I223-V225 HydrophobicContact CB-CG1 4.38Å; I223-V225 HydrophobicContact CD1-CB 4.22Å; I223-V225 HydrophobicContact CD1-CG1 3.57Å; I223-V225 HydrophobicContact CD1-CG2 3.62Å; I223-V225 HydrophobicContact CG1-CB 4.25Å; I223-V225 HydrophobicContact CG1-CG1 3.75Å; I223-V225 HydrophobicContact CG1-CG2 3.7Å; I223-V225 PolarHBondContact O-N 3.34Å; I223-T254 WeakPolarHBondContact O-CB 3.49Å; I223-T254 WeakPolarHBondContact O-CG2 3.32Å; I223-T254 PolarHBondContact O-OG1 3.25Å; I223-Y285 HydrophobicContact CG2-CD2 4.1Å
224	G	95.9	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	68.8	24	175.7	0	0	0	0	0	114.2	D221 H252 Y255	D221-G224 VanDerWaalsContact CG-CA 3.47Å; D221-G224 PolarHBondContact O-N 3.14Å; D221-G224 VanDerWaalsContact O-N 3.09Å; D221-G224 WeakPolarHBondContact OD1-CA 3.46Å; D221-G224 PolarHBondContact OD1-N 2.98Å; D221-G224 VanDerWaalsContact OD2-C 3.28Å; D221-G224 VanDerWaalsContact OD2-CA 3.27Å; D221-G224 WeakPolarHBondContact OD2-CA 3.37Å; G224-H252 WeakPolarHBondContact CA-O 3.21Å; G224-Y255 WeakPolarHBondContact O-CB 3.37Å; G224-Y255 WeakPolarHBondContact O-CD2 3.48Å
225	V	96.6	Very high	97.8	Very high	58 Å²	58	29.3 Å²	29.3	35%	0.352	16%	0.162	S	C	.	.			trans	-91.3	-10.4	-177.3	-61.6	0	0	0	0	112.9	D221 I223 Y255	D221-V225 PolarHBondContact OD1-N 3.03Å; D221-V225 VanDerWaalsContact OD1-N 3.13Å; D221-V225 PolarHBondContact OD2-N 3.29Å; I223-V225 VanDerWaalsContact C-N 3.3Å; I223-V225 HydrophobicContact CB-CG1 4.38Å; I223-V225 HydrophobicContact CD1-CB 4.22Å; I223-V225 HydrophobicContact CD1-CG1 3.57Å; I223-V225 HydrophobicContact CD1-CG2 3.62Å; I223-V225 HydrophobicContact CG1-CB 4.25Å; I223-V225 HydrophobicContact CG1-CG1 3.75Å; I223-V225 HydrophobicContact CG1-CG2 3.7Å; I223-V225 PolarHBondContact O-N 3.34Å; V225-Y255 HydrophobicContact CG1-CD2 3.99Å; V225-Y255 HydrophobicContact CG1-CE2 3.64Å
226	G	97.9	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.			trans	-61.6	152	179.2	0	0	0	0	0	111.9	D221 Q257 N261	D221-G226 VanDerWaalsContact OD2-CA 3.32Å; D221-G226 WeakPolarHBondContact OD2-CA 3.35Å; D221-G226 PolarHBondContact OD2-N 3.43Å; G226-Q257 WeakPolarHBondContact O-CB 3.33Å; G226-Q257 VanDerWaalsContact O-CG 3.32Å; G226-Q257 WeakPolarHBondContact O-CG 3.49Å; G226-N261 VanDerWaalsContact C-ND2 3.27Å; G226-N261 PolarHBondContact O-ND2 2.9Å
227	T	98.7	Very high	97.8	Very high	65 Å²	65	32 Å²	32	40%	0.399	18%	0.18	S	C	.	.			trans	-127.1	164.9	173.5	60.4	0	0	0	0	108.7	G229 S230 M231 N261	T227-G229 PolarHBondContact O-N 2.77Å; T227-S230 PolarHBondContact N-OG 3.22Å; T227-S230 PolarHBondContact O-N 2.81Å; T227-S230 PolarHBondContact O-OG 2.78Å; T227-S230 VanDerWaalsContact O-OG 3.05Å; T227-M231 PolarHBondContact O-N 2.75Å; T227-N261 VanDerWaalsContact CA-OD1 3.29Å; T227-N261 WeakPolarHBondContact CA-OD1 3.25Å; T227-N261 PolarHBondContact O-OD1 3.27Å
228	P	98.6	Very high	97.8	Very high	49 Å²	49	32 Å²	32	32%	0.318	18%	0.18	S	C	.	.	H	α-helix	trans	-50	-39.2	179.2	-34.6	39.5	0	0	0	113.5	F232 P260 N261 T264	P228-F232 WeakPolarHBondContact O-CB 3.3Å; P228-F232 PolarHBondContact O-N 3.47Å; P228-P260 HydrophobicContact CG-CB 3.82Å; P228-N261 WeakPolarHBondContact CD-OD1 3.47Å; P228-T264 WeakPolarHBondContact CB-OG1 3.41Å
229	G	98.4	Very high	97.8	Very high	43 Å²	43	35.1 Å²	35.1	44%	0.443	20%	0.196	S	C	.	.	H	α-helix	trans	-67.2	-37.7	178.1	0	0	0	0	0	114.2	T227 K233	T227-G229 PolarHBondContact O-N 2.77Å; G229-K233 WeakPolarHBondContact O-CG 3.24Å; G229-K233 PolarHBondContact O-N 2.98Å
230	S	98.5	Very high	97.7	Very high	35 Å²	35	41.2 Å²	41.2	25%	0.245	23%	0.228	C	C	.	.	H	α-helix	trans	-77.2	-38.2	176.4	61.9	0	0	0	0	111.8	T227 F232 K233 M234	T227-S230 PolarHBondContact N-OG 3.22Å; T227-S230 PolarHBondContact O-N 2.81Å; T227-S230 PolarHBondContact O-OG 2.78Å; T227-S230 VanDerWaalsContact O-OG 3.05Å; S230-F232 VanDerWaalsContact C-N 3.34Å; S230-F232 PolarHBondContact O-N 3.44Å; S230-K233 PolarHBondContact O-N 3.08Å; S230-M234 VanDerWaalsContact O-CB 3.28Å; S230-M234 WeakPolarHBondContact O-CB 3.46Å; S230-M234 PolarHBondContact O-N 3.44Å
231	M	98.8	Very high	97.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-56.2	-49	172.4	178.2	58.6	88.5	0	0	111.1	L189 T227 K233 M234 L235 V249 C251 N261 T264	L189-M231 HydrophobicContact CD1-CB 4.12Å; L189-M231 HydrophobicContact CD1-CE 3.83Å; L189-M231 HydrophobicContact CD1-SD 4.27Å; T227-M231 PolarHBondContact O-N 2.75Å; M231-K233 PolarHBondContact O-N 3.33Å; M231-M234 PolarHBondContact O-N 2.75Å; M231-M234 HydrophobicContact SD-CE 3.53Å; M231-M234 VanDerWaalsContact SD-CE 3.53Å; M231-L235 HydrophobicContact CG-CD1 3.94Å; M231-L235 WeakPolarHBondContact O-CB 3.38Å; M231-L235 WeakPolarHBondContact O-CG 3.39Å; M231-L235 PolarHBondContact O-N 3.35Å; M231-L235 HydrophobicContact SD-CD1 3.64Å; M231-L235 HydrophobicContact SD-CG 3.82Å; M231-V249 HydrophobicContact CE-CB 4.31Å; M231-V249 HydrophobicContact CE-CG1 4Å; M231-V249 HydrophobicContact SD-CG1 4.18Å; M231-C251 VanDerWaalsContact CE-SG 3.59Å; M231-N261 HydrophobicContact CB-CB 4.45Å; M231-N261 HydrophobicContact CE-CB 3.88Å; M231-N261 HydrophobicContact CG-CB 4.46Å; M231-T264 HydrophobicContact CB-CG2 4.36Å; M231-T264 HydrophobicContact CG-CG2 4.16Å
232	F	98.7	Very high	97.7	Very high	94 Å²	94	44.3 Å²	44.3	41%	0.412	24%	0.244	S	C	.	.	H	α-helix	trans	-57.4	-50.7	178	177.9	-89.8	0	0	0	112.4	P228 S230 M234 L235 Q236 T264 M268	P228-F232 WeakPolarHBondContact O-CB 3.3Å; P228-F232 PolarHBondContact O-N 3.47Å; S230-F232 VanDerWaalsContact C-N 3.34Å; S230-F232 PolarHBondContact O-N 3.44Å; F232-M234 VanDerWaalsContact C-N 3.33Å; F232-M234 PolarHBondContact O-N 2.93Å; F232-L235 PolarHBondContact O-N 3.23Å; F232-Q236 WeakPolarHBondContact O-CB 3.39Å; F232-Q236 PolarHBondContact O-N 3.44Å; F232-T264 HydrophobicContact CB-CG2 4.01Å; F232-M268 HydrophobicContact CB-SD 4.23Å; F232-M268 HydrophobicContact CD2-CE 3.94Å; F232-M268 HydrophobicContact CD2-CG 4.15Å; F232-M268 HydrophobicContact CD2-SD 3.46Å; F232-M268 WeakPolarHBondContact CD2-SD 3.41Å; F232-M268 HydrophobicContact CE2-CE 4.03Å; F232-M268 HydrophobicContact CE2-CG 4.46Å; F232-M268 HydrophobicContact CE2-SD 4.08Å; F232-M268 HydrophobicContact CG-SD 4.08Å
233	K	98.6	Very high	97.9	Very high	132 Å²	132	45.4 Å²	45.4	57%	0.574	25%	0.251	S	S	*	.	H	α-helix	trans	-63	-40.1	-179.9	-72	175.6	-179.7	-177.4	0	112.1	P199 G229 S230 M231 T237	P199-K233 HydrophobicContact CG-CB 4.41Å; G229-K233 WeakPolarHBondContact O-CG 3.24Å; G229-K233 PolarHBondContact O-N 2.98Å; S230-K233 PolarHBondContact O-N 3.08Å; M231-K233 PolarHBondContact O-N 3.33Å; K233-T237 PolarHBondContact O-N 3.01Å; K233-T237 VanDerWaalsContact O-N 3.12Å; K233-T237 PolarHBondContact O-OG1 3.25Å
234	M	98.8	Very high	98.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-54.5	178.3	-177.6	-78.5	-68.4	0	0	110.4	A188 L189 V202 L219 S230 M231 F232 Q236 T237 V238	A188-M234 HydrophobicContact CB-CE 4.42Å; L189-M234 HydrophobicContact CD2-CB 3.6Å; L189-M234 HydrophobicContact CD2-CE 3.96Å; L189-M234 HydrophobicContact CD2-CG 3.89Å; V202-M234 HydrophobicContact CB-CG 4.3Å; V202-M234 HydrophobicContact CG1-CG 4.1Å; V202-M234 HydrophobicContact CG1-SD 4.01Å; V202-M234 HydrophobicContact CG2-CG 4.23Å; L219-M234 HydrophobicContact CB-CE 3.96Å; L219-M234 HydrophobicContact CB-SD 4.35Å; L219-M234 HydrophobicContact CD1-CE 3.99Å; L219-M234 HydrophobicContact CD1-SD 3.73Å; L219-M234 HydrophobicContact CD2-SD 4.46Å; L219-M234 HydrophobicContact CG-SD 4.41Å; S230-M234 VanDerWaalsContact O-CB 3.28Å; S230-M234 WeakPolarHBondContact O-CB 3.46Å; S230-M234 PolarHBondContact O-N 3.44Å; M231-M234 PolarHBondContact O-N 2.75Å; M231-M234 HydrophobicContact SD-CE 3.53Å; M231-M234 VanDerWaalsContact SD-CE 3.53Å; F232-M234 VanDerWaalsContact C-N 3.33Å; F232-M234 PolarHBondContact O-N 2.93Å; M234-Q236 PolarHBondContact O-N 2.83Å; M234-T237 PolarHBondContact O-N 3.36Å; M234-T237 VanDerWaalsContact O-N 3.11Å; M234-V238 WeakPolarHBondContact O-CG2 3.21Å; M234-V238 PolarHBondContact O-N 3.16Å; M234-V238 HydrophobicContact SD-CG2 3.83Å
235	L	98.7	Very high	98.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-44.6	178.8	-72.9	174	0	0	0	112.2	L219 M231 F232 T237 V238 M239 V249 A265 M268 V270	L219-L235 HydrophobicContact CD1-CD2 3.65Å; M231-L235 HydrophobicContact CG-CD1 3.94Å; M231-L235 WeakPolarHBondContact O-CB 3.38Å; M231-L235 WeakPolarHBondContact O-CG 3.39Å; M231-L235 PolarHBondContact O-N 3.35Å; M231-L235 HydrophobicContact SD-CD1 3.64Å; M231-L235 HydrophobicContact SD-CG 3.82Å; F232-L235 PolarHBondContact O-N 3.23Å; L235-T237 PolarHBondContact O-N 3.14Å; L235-V238 PolarHBondContact O-N 3.37Å; L235-M239 HydrophobicContact CB-SD 4.48Å; L235-M239 VanDerWaalsContact O-CB 3.31Å; L235-M239 WeakPolarHBondContact O-CB 3.37Å; L235-M239 WeakPolarHBondContact O-CG 3.29Å; L235-M239 PolarHBondContact O-N 3.07Å; L235-V249 HydrophobicContact CD2-CG1 4.28Å; L235-A265 HydrophobicContact CD1-CB 3.71Å; L235-M268 HydrophobicContact CB-CE 3.69Å; L235-M268 HydrophobicContact CB-SD 3.65Å; L235-M268 HydrophobicContact CD1-CB 4.38Å; L235-M268 HydrophobicContact CD1-SD 3.81Å; L235-M268 HydrophobicContact CG-SD 4.38Å; L235-V270 HydrophobicContact CD1-CG2 4.11Å; L235-V270 HydrophobicContact CD2-CG2 4.02Å
236	Q	98.3	Very high	98.3	Very high	103 Å²	103	49 Å²	49	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-55.5	-37.1	176.7	-179.5	176.9	56.7	0	0	111.7	F232 M234 N240 M268	F232-Q236 WeakPolarHBondContact O-CB 3.39Å; F232-Q236 PolarHBondContact O-N 3.44Å; M234-Q236 PolarHBondContact O-N 2.83Å; Q236-N240 PolarHBondContact O-ND2 3.49Å; Q236-N240 VanDerWaalsContact O-ND2 3.12Å; Q236-M268 HydrophobicContact CB-CE 4.02Å
237	T	98.6	Very high	98.3	Very high	39 Å²	39	49 Å²	49	24%	0.239	28%	0.277	C	S	.	.	H	α-helix	trans	-74	-49	179	-51.5	0	0	0	0	111.1	P199 A203 K233 M234 L235 M239 N240	P199-T237 HydrophobicContact CB-CG2 3.95Å; P199-T237 VanDerWaalsContact CB-OG1 3.24Å; P199-T237 WeakPolarHBondContact CB-OG1 3.45Å; A203-T237 HydrophobicContact CB-CG2 4.03Å; K233-T237 PolarHBondContact O-N 3.01Å; K233-T237 VanDerWaalsContact O-N 3.12Å; K233-T237 PolarHBondContact O-OG1 3.25Å; M234-T237 PolarHBondContact O-N 3.36Å; M234-T237 VanDerWaalsContact O-N 3.11Å; L235-T237 PolarHBondContact O-N 3.14Å; T237-M239 VanDerWaalsContact C-N 3.31Å; T237-M239 PolarHBondContact O-N 3.26Å; T237-N240 WeakPolarHBondContact O-CB 3.31Å; T237-N240 PolarHBondContact O-N 2.97Å; T237-N240 PolarHBondContact O-ND2 3.5Å
238	V	98.8	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-36.7	-178.3	176	0	0	0	0	112.1	V202 A203 A206 L219 M234 L235 N240 D241 V242 L247	V202-V238 HydrophobicContact CB-CG2 4.32Å; V202-V238 HydrophobicContact CG1-CG2 3.99Å; A203-V238 HydrophobicContact CB-CG2 4.13Å; A206-V238 HydrophobicContact CB-CG1 4Å; L219-V238 HydrophobicContact CD1-CG1 4.2Å; L219-V238 HydrophobicContact CD1-CG2 4.44Å; L219-V238 HydrophobicContact CD2-CG2 4.5Å; M234-V238 WeakPolarHBondContact O-CG2 3.21Å; M234-V238 PolarHBondContact O-N 3.16Å; M234-V238 HydrophobicContact SD-CG2 3.83Å; L235-V238 PolarHBondContact O-N 3.37Å; V238-N240 PolarHBondContact O-N 3.49Å; V238-N240 VanDerWaalsContact O-N 3.1Å; V238-D241 PolarHBondContact O-N 3.33Å; V238-V242 HydrophobicContact CG1-CB 4.24Å; V238-V242 HydrophobicContact CG1-CG2 4.33Å; V238-V242 PolarHBondContact O-N 2.87Å; V238-L247 HydrophobicContact CG1-CD1 4.01Å; V238-L247 HydrophobicContact CG1-CD2 3.8Å
239	M	98.2	Very high	98.4	Very high	67 Å²	67	43.6 Å²	43.6	33%	0.33	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11	-179.7	-73.3	172.3	70.3	0	0	114.2	L235 T237 D241 I244 L247 M268	L235-M239 HydrophobicContact CB-SD 4.48Å; L235-M239 VanDerWaalsContact O-CB 3.31Å; L235-M239 WeakPolarHBondContact O-CB 3.37Å; L235-M239 WeakPolarHBondContact O-CG 3.29Å; L235-M239 PolarHBondContact O-N 3.07Å; T237-M239 VanDerWaalsContact C-N 3.31Å; T237-M239 PolarHBondContact O-N 3.26Å; M239-D241 VanDerWaalsContact C-N 3.3Å; M239-I244 HydrophobicContact CE-CB 4.14Å; M239-I244 HydrophobicContact CE-CD1 3.92Å; M239-I244 HydrophobicContact CE-CG1 4.15Å; M239-I244 HydrophobicContact CG-CD1 4.23Å; M239-I244 HydrophobicContact SD-CD1 3.9Å; M239-L247 HydrophobicContact CG-CD1 3.81Å; M239-M268 HydrophobicContact SD-CE 4.04Å
240	N	97.8	Very high	98.4	Very high	129 Å²	129	42.2 Å²	42.2	69%	0.69	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-25	172	-61.7	-52.4	0	0	0	112.5	Q236 T237 V238	Q236-N240 PolarHBondContact O-ND2 3.49Å; Q236-N240 VanDerWaalsContact O-ND2 3.12Å; T237-N240 WeakPolarHBondContact O-CB 3.31Å; T237-N240 PolarHBondContact O-N 2.97Å; T237-N240 PolarHBondContact O-ND2 3.5Å; V238-N240 PolarHBondContact O-N 3.49Å; V238-N240 VanDerWaalsContact O-N 3.1Å
241	D	96.6	Very high	98.4	Very high	68 Å²	68	40.6 Å²	40.6	36%	0.364	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-27.9	-172.7	-69.2	-70.3	0	0	0	113.3	K207 V238 M239	K207-D241 HydrophobicContact CB-CB 4.01Å; K207-D241 HydrophobicContact CD-CB 3.87Å; K207-D241 WeakPolarHBondContact CE-OD1 3.43Å; K207-D241 HydrophobicContact CG-CB 4.03Å; K207-D241 IonicContact NZ-OD1 2.76Å; K207-D241 PolarHBondContact NZ-OD1 3.01Å; V238-D241 PolarHBondContact O-N 3.33Å; M239-D241 VanDerWaalsContact C-N 3.3Å
242	V	98.4	Very high	98.3	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.215	C	C	.	.	S	Bend	trans	-120.9	129.1	-178	-174.8	0	0	0	0	109.8	A206 K207 Y210 I217 V238 A246 L247	A206-V242 HydrophobicContact CB-CG2 4.22Å; K207-V242 HydrophobicContact CB-CG2 4.48Å; Y210-V242 HydrophobicContact CD1-CG1 4.49Å; Y210-V242 HydrophobicContact CD2-CG1 4.12Å; Y210-V242 HydrophobicContact CG-CG1 4.05Å; I217-V242 HydrophobicContact CG1-CG1 4.48Å; V238-V242 HydrophobicContact CG1-CB 4.24Å; V238-V242 HydrophobicContact CG1-CG2 4.33Å; V238-V242 PolarHBondContact O-N 2.87Å; V242-A246 HydrophobicContact CG1-CB 4.23Å; V242-L247 HydrophobicContact CB-CD2 3.97Å; V242-L247 HydrophobicContact CG1-CD2 3.54Å; V242-L247 HydrophobicContact CG1-CG 4.09Å
243	P	98.2	Very high	98.2	Very high	50 Å²	50	38.6 Å²	38.6	33%	0.325	21%	0.206	S	C	.	.			trans	-65.3	141.2	-179.2	26.6	-33.5	0	0	0	111.2	Y210 S245 A246	Y210-P243 HydrophobicContact CE1-CG 4.16Å; Y210-P243 HydrophobicContact CE2-CG 4.2Å; Y210-P243 WeakPolarHBondContact OH-CG 3.46Å; P243-S245 PolarHBondContact O-N 3.49Å; P243-S245 VanDerWaalsContact O-N 3.08Å; P243-A246 HydrophobicContact CG-CB 4.01Å; P243-A246 PolarHBondContact O-N 2.97Å
244	I	97.4	Very high	98	Very high	53 Å²	53	33.1 Å²	33.1	27%	0.272	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-55.1	-31.7	-178.2	-169.2	57.2	0	0	0	113.7	M239 A246 L247 G269 V270	M239-I244 HydrophobicContact CE-CB 4.14Å; M239-I244 HydrophobicContact CE-CD1 3.92Å; M239-I244 HydrophobicContact CE-CG1 4.15Å; M239-I244 HydrophobicContact CG-CD1 4.23Å; M239-I244 HydrophobicContact SD-CD1 3.9Å; I244-A246 PolarHBondContact O-N 3.46Å; I244-L247 HydrophobicContact CD1-CB 4.44Å; I244-L247 HydrophobicContact CD1-CD1 4.18Å; I244-L247 PolarHBondContact O-N 3.4Å; I244-L247 VanDerWaalsContact O-N 3.14Å; I244-G269 WeakPolarHBondContact CG1-O 3.21Å; I244-V270 HydrophobicContact CD1-CB 4.32Å; I244-V270 HydrophobicContact CD1-CG2 3.53Å
245	S	97.8	Very high	97.8	Very high	95 Å²	95	39.9 Å²	39.9	66%	0.664	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-67.5	-15.1	177	57.7	0	0	0	0	114	P243	P243-S245 PolarHBondContact O-N 3.49Å; P243-S245 VanDerWaalsContact O-N 3.08Å
246	A	98.6	Very high	97.7	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.033	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-106.2	10.7	176.2	0	0	0	0	0	112.2	Y210 Y215 E216 I217 V242 P243 I244	Y210-A246 HydrophobicContact CD2-CB 4.03Å; Y210-A246 HydrophobicContact CE2-CB 3.55Å; Y215-A246 WeakPolarHBondContact O-CB 3.31Å; E216-A246 CarbonylContact C-O 3.58Å; E216-A246 VanDerWaalsContact CA-O 3.31Å; E216-A246 WeakPolarHBondContact CA-O 3.37Å; I217-A246 PolarHBondContact N-O 3.21Å; V242-A246 HydrophobicContact CG1-CB 4.23Å; P243-A246 HydrophobicContact CG-CB 4.01Å; P243-A246 PolarHBondContact O-N 2.97Å; I244-A246 PolarHBondContact O-N 3.46Å
247	L	98.9	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138	178.9	-64.7	-179.7	0	0	0	111.1	I217 L219 V238 M239 V242 I244	I217-L247 HydrophobicContact CB-CD2 4.29Å; L219-L247 HydrophobicContact CD1-CD2 4.1Å; V238-L247 HydrophobicContact CG1-CD1 4.01Å; V238-L247 HydrophobicContact CG1-CD2 3.8Å; M239-L247 HydrophobicContact CG-CD1 3.81Å; V242-L247 HydrophobicContact CB-CD2 3.97Å; V242-L247 HydrophobicContact CG1-CD2 3.54Å; V242-L247 HydrophobicContact CG1-CG 4.09Å; I244-L247 HydrophobicContact CD1-CB 4.44Å; I244-L247 HydrophobicContact CD1-CD1 4.18Å; I244-L247 PolarHBondContact O-N 3.4Å; I244-L247 VanDerWaalsContact O-N 3.14Å
248	A	98.9	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	159.8	168.3	0	0	0	0	0	109.8	R182 E216 I217 L219 V272	R182-A248 VanDerWaalsContact NH2-CB 3.33Å; E216-A248 HydrophobicContact CG-CB 4.19Å; I217-A248 PolarHBondContact O-N 2.98Å; L219-A248 PolarHBondContact N-O 3.47Å; A248-V272 WeakPolarHBondContact CA-O 3.14Å; A248-V272 HydrophobicContact CB-CB 3.67Å; A248-V272 HydrophobicContact CB-CG1 3.64Å
249	V	98.9	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.2	171.8	-68.9	0	0	0	0	111.2	M231 L235 I262 A265 V270 V272 V273 D274	M231-V249 HydrophobicContact CE-CB 4.31Å; M231-V249 HydrophobicContact CE-CG1 4Å; M231-V249 HydrophobicContact SD-CG1 4.18Å; L235-V249 HydrophobicContact CD2-CG1 4.28Å; V249-I262 HydrophobicContact CG2-CG1 4.36Å; V249-A265 HydrophobicContact CB-CB 4.36Å; V249-A265 HydrophobicContact CG1-CB 3.7Å; V249-A265 HydrophobicContact CG2-CB 3.85Å; V249-V270 HydrophobicContact CG1-CG1 4.28Å; V249-V270 HydrophobicContact CG2-CG1 4.28Å; V249-V272 PolarHBondContact N-O 2.89Å; V249-V272 VanDerWaalsContact N-O 3.11Å; V249-V273 HydrophobicContact CG2-CG2 4.08Å; V249-D274 PolarHBondContact O-N 2.87Å
250	H	98.7	Very high	97.7	Very high	13 Å²	13	39.4 Å²	39.4	6%	0.06	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	109.2	176.3	175.2	102.8	0	0	0	108.3	D59 S218 L219 G220 D221 H252 D274 N292	D59-H250 IonicContact OD2-CE1 2.91Å; S218-H250 WeakPolarHBondContact OG-CB 3.11Å; L219-H250 PolarHBondContact O-N 3.37Å; G220-H250 CarbonylContact C-O 3.57Å; G220-H250 VanDerWaalsContact CA-O 3.31Å; G220-H250 WeakPolarHBondContact CA-O 2.94Å; D221-H250 PolarHBondContact N-O 3.02Å; H250-H252 AromaticContact CD2-CD2 3.89Å; H250-H252 AromaticContact NE2-CD2 3.35Å; H250-H252 PolarHBondContact NE2-CD2 3.03Å; H250-H252 VanDerWaalsContact NE2-CD2 3.35Å; H250-H252 AromaticContact NE2-NE2 3.25Å; H250-H252 PolarHBondContact NE2-NE2 3.23Å; H250-D274 HydrophobicContact CB-CB 3.8Å; H250-D274 WeakPolarHBondContact ND1-CB 3.18Å; H250-D274 IonicContact ND1-OD2 3.9Å; H250-N292 PolarHBondContact CE1-OD1 3.3Å; H250-N292 PolarHBondContact NE2-OD1 2.83Å
251	C	98.3	Very high	97.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124	-174.7	-60.9	0	0	0	0	110.8	M231 A258 I262 V293	M231-C251 VanDerWaalsContact CE-SG 3.59Å; C251-A258 HydrophobicContact CB-CB 3.78Å; C251-I262 HydrophobicContact CB-CD1 4.38Å; C251-I262 HydrophobicContact CB-CG1 4.32Å; C251-V293 WeakPolarHBondContact O-CB 3.4Å; C251-V293 PolarHBondContact O-N 3.03Å; C251-V293 VanDerWaalsContact O-N 3.13Å
252	H	97.1	Very high	97.8	Very high	9 Å²	9	30 Å²	30	4%	0.042	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-78.3	147.5	163.8	-77.5	-152.7	0	0	0	110.4	D59 D221 T222 G224 H250 G291 N292	D59-H252 IonicContact OD2-NE2 3.63Å; D221-H252 WeakPolarHBondContact O-CB 3.47Å; D221-H252 PolarHBondContact O-N 3.31Å; T222-H252 PolarHBondContact O-CE1 2.85Å; T222-H252 PolarHBondContact O-ND1 2.84Å; G224-H252 WeakPolarHBondContact CA-O 3.21Å; H250-H252 AromaticContact CD2-CD2 3.89Å; H250-H252 AromaticContact NE2-CD2 3.35Å; H250-H252 PolarHBondContact NE2-CD2 3.03Å; H250-H252 VanDerWaalsContact NE2-CD2 3.35Å; H250-H252 AromaticContact NE2-NE2 3.25Å; H250-H252 PolarHBondContact NE2-NE2 3.23Å; H252-G291 CarbonylContact C-O 3.52Å; H252-G291 WeakPolarHBondContact CA-O 3.13Å; H252-G291 VanDerWaalsContact CB-O 3.25Å; H252-G291 WeakPolarHBondContact CB-O 3.28Å; H252-N292 PolarHBondContact NE2-OD1 3.29Å
253	D	96.5	Very high	97.8	Very high	44 Å²	44	32.4 Å²	32.4	24%	0.235	18%	0.184	C	C	.	.			trans	-101.7	22.8	-179	-157.9	42.9	0	0	0	113	Y255 G256 Q257 A258 S290 G291	D253-Y255 PolarHBondContact O-N 2.95Å; D253-Y255 VanDerWaalsContact O-N 3.08Å; D253-G256 PolarHBondContact O-N 2.9Å; D253-G256 WeakPolarHBondContact OD1-CA 3.43Å; D253-Q257 PolarHBondContact OD1-N 2.9Å; D253-A258 HydrophobicContact CB-CB 3.71Å; D253-A258 WeakPolarHBondContact OD1-CB 3.27Å; D253-A258 PolarHBondContact OD1-N 3.41Å; D253-S290 VanDerWaalsContact C-OG 3.23Å; D253-S290 PolarHBondContact O-OG 2.88Å; D253-G291 PolarHBondContact N-O 2.77Å
254	T	94.3	Very high	97.9	Very high	18 Å²	18	30.6 Å²	30.6	11%	0.11	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-41	179.5	-46	0	0	0	0	113.2	I223 A286 S289 S290	I223-T254 WeakPolarHBondContact O-CB 3.49Å; I223-T254 WeakPolarHBondContact O-CG2 3.32Å; I223-T254 PolarHBondContact O-OG1 3.25Å; T254-A286 HydrophobicContact CG2-CB 3.86Å; T254-S289 WeakPolarHBondContact CG2-OG 3.12Å; T254-S290 WeakPolarHBondContact CA-O 3.37Å; T254-S290 PolarHBondContact OG1-O 3.48Å
255	Y	95.3	Very high	97.9	Very high	143 Å²	143	28.1 Å²	28.1	56%	0.561	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.4	19.7	-178	-65.4	-91.2	0	0	0	113.2	G224 V225 D253 Q257	G224-Y255 WeakPolarHBondContact O-CB 3.37Å; G224-Y255 WeakPolarHBondContact O-CD2 3.48Å; V225-Y255 HydrophobicContact CG1-CD2 3.99Å; V225-Y255 HydrophobicContact CG1-CE2 3.64Å; D253-Y255 PolarHBondContact O-N 2.95Å; D253-Y255 VanDerWaalsContact O-N 3.08Å; Y255-Q257 VanDerWaalsContact C-N 3.27Å; Y255-Q257 PolarHBondContact O-N 2.94Å; Y255-Q257 PolarHBondContact O-NE2 3.43Å
256	G	95.9	Very high	98	Very high	41 Å²	41	23.7 Å²	23.7	42%	0.423	13%	0.128	S	C	.	.	S	Bend	trans	68.5	23.5	179.4	0	0	0	0	0	114.2	D253	D253-G256 PolarHBondContact O-N 2.9Å; D253-G256 WeakPolarHBondContact OD1-CA 3.43Å
257	Q	97.9	Very high	97.9	Very high	59 Å²	59	28.4 Å²	28.4	28%	0.276	15%	0.149	S	C	.	.			trans	-102.7	-5.4	-174.7	-56.8	-54.1	-64.2	0	0	113.4	G226 D253 Y255 P260 N261	G226-Q257 WeakPolarHBondContact O-CB 3.33Å; G226-Q257 VanDerWaalsContact O-CG 3.32Å; G226-Q257 WeakPolarHBondContact O-CG 3.49Å; D253-Q257 PolarHBondContact OD1-N 2.9Å; Y255-Q257 VanDerWaalsContact C-N 3.27Å; Y255-Q257 PolarHBondContact O-N 2.94Å; Y255-Q257 PolarHBondContact O-NE2 3.43Å; Q257-P260 WeakPolarHBondContact O-CD 3.32Å; Q257-N261 VanDerWaalsContact O-CB 3.29Å; Q257-N261 WeakPolarHBondContact O-CB 3.33Å; Q257-N261 PolarHBondContact O-N 2.83Å; Q257-N261 PolarHBondContact O-ND2 3.47Å
258	A	98.3	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-50.9	-169.8	0	0	0	0	0	112.8	C251 D253 N261 I262 V293	C251-A258 HydrophobicContact CB-CB 3.78Å; D253-A258 HydrophobicContact CB-CB 3.71Å; D253-A258 WeakPolarHBondContact OD1-CB 3.27Å; D253-A258 PolarHBondContact OD1-N 3.41Å; A258-N261 PolarHBondContact O-N 2.99Å; A258-I262 WeakPolarHBondContact O-CB 3.22Å; A258-I262 WeakPolarHBondContact O-CD1 3.41Å; A258-I262 VanDerWaalsContact O-CG1 3.25Å; A258-I262 WeakPolarHBondContact O-CG1 3.49Å; A258-I262 PolarHBondContact O-N 3.46Å; A258-V293 HydrophobicContact CB-CB 3.61Å; A258-V293 HydrophobicContact CB-CG2 3.62Å
259	L	98.8	Very high	97.7	Very high	49 Å²	49	31.4 Å²	31.4	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-63.2	-44.4	178.7	-67.1	-178	0	0	0	113.2	N261 I262 L263 V293 D297 V298 M301	L259-N261 VanDerWaalsContact C-N 3.31Å; L259-N261 PolarHBondContact O-N 3.22Å; L259-I262 HydrophobicContact CD2-CD1 4.47Å; L259-I262 PolarHBondContact O-N 3.09Å; L259-L263 WeakPolarHBondContact O-CB 3.11Å; L259-L263 PolarHBondContact O-N 2.93Å; L259-V293 HydrophobicContact CD2-CG2 4.08Å; L259-V293 HydrophobicContact CG-CG2 4.39Å; L259-D297 HydrophobicContact CD1-CB 4.27Å; L259-V298 HydrophobicContact CD2-CB 4.45Å; L259-V298 HydrophobicContact CD2-CG2 3.83Å; L259-M301 HydrophobicContact CB-SD 4.14Å; L259-M301 HydrophobicContact CD2-CE 4.03Å; L259-M301 HydrophobicContact CD2-SD 4.11Å
260	P	98.7	Very high	97.7	Very high	50 Å²	50	31.4 Å²	31.4	33%	0.325	17%	0.172	S	C	.	.	H	α-helix	trans	-56.8	-40.5	171.6	-27.9	34.3	0	0	0	114.1	P228 Q257 T264	P228-P260 HydrophobicContact CG-CB 3.82Å; Q257-P260 WeakPolarHBondContact O-CD 3.32Å; P260-T264 PolarHBondContact O-N 3.13Å; P260-T264 PolarHBondContact O-OG1 2.95Å
261	N	98.8	Very high	97.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.9	-42.4	178	-70.9	-16.3	0	0	0	111.5	G226 T227 P228 M231 Q257 A258 L259 T264 A265	G226-N261 VanDerWaalsContact C-ND2 3.27Å; G226-N261 PolarHBondContact O-ND2 2.9Å; T227-N261 VanDerWaalsContact CA-OD1 3.29Å; T227-N261 WeakPolarHBondContact CA-OD1 3.25Å; T227-N261 PolarHBondContact O-OD1 3.27Å; P228-N261 WeakPolarHBondContact CD-OD1 3.47Å; M231-N261 HydrophobicContact CB-CB 4.45Å; M231-N261 HydrophobicContact CE-CB 3.88Å; M231-N261 HydrophobicContact CG-CB 4.46Å; Q257-N261 VanDerWaalsContact O-CB 3.29Å; Q257-N261 WeakPolarHBondContact O-CB 3.33Å; Q257-N261 PolarHBondContact O-N 2.83Å; Q257-N261 PolarHBondContact O-ND2 3.47Å; A258-N261 PolarHBondContact O-N 2.99Å; L259-N261 VanDerWaalsContact C-N 3.31Å; L259-N261 PolarHBondContact O-N 3.22Å; N261-T264 WeakPolarHBondContact O-CB 3.3Å; N261-T264 PolarHBondContact O-N 3.27Å; N261-A265 PolarHBondContact O-N 2.84Å
262	I	98.9	Very high	97.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-46	174.5	-69.6	161.4	0	0	0	110.2	V249 C251 A258 L259 T264 A265 L266 V273 V293 V298 M301	V249-I262 HydrophobicContact CG2-CG1 4.36Å; C251-I262 HydrophobicContact CB-CD1 4.38Å; C251-I262 HydrophobicContact CB-CG1 4.32Å; A258-I262 WeakPolarHBondContact O-CB 3.22Å; A258-I262 WeakPolarHBondContact O-CD1 3.41Å; A258-I262 VanDerWaalsContact O-CG1 3.25Å; A258-I262 WeakPolarHBondContact O-CG1 3.49Å; A258-I262 PolarHBondContact O-N 3.46Å; L259-I262 HydrophobicContact CD2-CD1 4.47Å; L259-I262 PolarHBondContact O-N 3.09Å; I262-T264 VanDerWaalsContact C-N 3.25Å; I262-T264 PolarHBondContact O-N 2.95Å; I262-A265 WeakPolarHBondContact O-CA 3.15Å; I262-A265 WeakPolarHBondContact O-CB 3.18Å; I262-A265 PolarHBondContact O-N 2.84Å; I262-L266 HydrophobicContact CG2-CD1 4.16Å; I262-L266 HydrophobicContact CG2-CG 4.28Å; I262-L266 VanDerWaalsContact O-CG 3.32Å; I262-L266 WeakPolarHBondContact O-CG 3.32Å; I262-L266 PolarHBondContact O-N 3.32Å; I262-V273 HydrophobicContact CD1-CG1 3.75Å; I262-V273 HydrophobicContact CG1-CG1 4Å; I262-V273 HydrophobicContact CG2-CG1 4.08Å; I262-V273 HydrophobicContact CG2-CG2 3.84Å; I262-V293 HydrophobicContact CD1-CB 4.49Å; I262-V293 HydrophobicContact CD1-CG1 3.96Å; I262-V293 HydrophobicContact CD1-CG2 4.3Å; I262-V298 HydrophobicContact CD1-CG2 3.96Å; I262-M301 HydrophobicContact CB-CE 4.38Å; I262-M301 HydrophobicContact CG2-CE 3.82Å
263	L	98.7	Very high	97.8	Very high	52 Å²	52	32.4 Å²	32.4	27%	0.272	18%	0.181	S	C	.	.	H	α-helix	trans	-56.1	-42.9	175.6	178.6	62.2	0	0	0	111.4	Y46 L259 A265 L266 Q267 M301 M305	Y46-L263 HydrophobicContact CE1-CD1 3.93Å; L259-L263 WeakPolarHBondContact O-CB 3.11Å; L259-L263 PolarHBondContact O-N 2.93Å; L263-A265 VanDerWaalsContact C-N 3.35Å; L263-A265 PolarHBondContact O-N 2.79Å; L263-L266 PolarHBondContact O-N 3.15Å; L263-Q267 VanDerWaalsContact O-CG 3.28Å; L263-Q267 WeakPolarHBondContact O-CG 3.14Å; L263-Q267 PolarHBondContact O-N 3.01Å; L263-M301 HydrophobicContact CB-SD 4.5Å; L263-M305 HydrophobicContact CD1-CE 3.52Å; L263-M305 HydrophobicContact CD1-SD 4.05Å
264	T	98.5	Very high	97.9	Very high	12 Å²	12	30.3 Å²	30.3	7%	0.074	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-43.8	175.2	-54.6	0	0	0	0	111.3	P228 M231 F232 P260 N261 I262 L266 Q267 M268	P228-T264 WeakPolarHBondContact CB-OG1 3.41Å; M231-T264 HydrophobicContact CB-CG2 4.36Å; M231-T264 HydrophobicContact CG-CG2 4.16Å; F232-T264 HydrophobicContact CB-CG2 4.01Å; P260-T264 PolarHBondContact O-N 3.13Å; P260-T264 PolarHBondContact O-OG1 2.95Å; N261-T264 WeakPolarHBondContact O-CB 3.3Å; N261-T264 PolarHBondContact O-N 3.27Å; I262-T264 VanDerWaalsContact C-N 3.25Å; I262-T264 PolarHBondContact O-N 2.95Å; T264-L266 PolarHBondContact O-N 3.37Å; T264-Q267 WeakPolarHBondContact O-CB 3.34Å; T264-Q267 PolarHBondContact O-N 3.09Å; T264-M268 WeakPolarHBondContact O-CG 3.47Å; T264-M268 PolarHBondContact O-N 3.13Å; T264-M268 VanDerWaalsContact O-N 3.16Å
265	A	98.6	Very high	98.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-41.8	177	0	0	0	0	0	112.5	L235 V249 N261 I262 L263 Q267 M268 G269 V270	L235-A265 HydrophobicContact CD1-CB 3.71Å; V249-A265 HydrophobicContact CB-CB 4.36Å; V249-A265 HydrophobicContact CG1-CB 3.7Å; V249-A265 HydrophobicContact CG2-CB 3.85Å; N261-A265 PolarHBondContact O-N 2.84Å; I262-A265 WeakPolarHBondContact O-CA 3.15Å; I262-A265 WeakPolarHBondContact O-CB 3.18Å; I262-A265 PolarHBondContact O-N 2.84Å; L263-A265 VanDerWaalsContact C-N 3.35Å; L263-A265 PolarHBondContact O-N 2.79Å; A265-Q267 VanDerWaalsContact C-N 3.35Å; A265-Q267 PolarHBondContact O-N 3.1Å; A265-M268 CarbonylContact O-C 3.58Å; A265-M268 WeakPolarHBondContact O-CA 3.48Å; A265-M268 PolarHBondContact O-N 3.01Å; A265-G269 PolarHBondContact O-N 3.47Å; A265-V270 HydrophobicContact CB-CB 3.99Å; A265-V270 HydrophobicContact CB-CG1 4.48Å; A265-V270 HydrophobicContact CB-CG2 4.03Å; A265-V270 WeakPolarHBondContact O-CB 3.3Å; A265-V270 PolarHBondContact O-N 3.23Å
266	L	98.5	Very high	98.3	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-41.7	174.6	-63.8	172.6	0	0	0	111.5	Y46 P47 V50 I262 L263 T264 M268 G269 V270 M301 L302 I307	Y46-L266 HydrophobicContact CD1-CB 4.07Å; P47-L266 WeakPolarHBondContact CD-O 3.46Å; P47-L266 HydrophobicContact CG-CD2 4.48Å; V50-L266 HydrophobicContact CG1-CD2 4.49Å; V50-L266 HydrophobicContact CG2-CD2 3.49Å; V50-L266 VanDerWaalsContact CG2-CD2 3.49Å; I262-L266 HydrophobicContact CG2-CD1 4.16Å; I262-L266 HydrophobicContact CG2-CG 4.28Å; I262-L266 VanDerWaalsContact O-CG 3.32Å; I262-L266 WeakPolarHBondContact O-CG 3.32Å; I262-L266 PolarHBondContact O-N 3.32Å; L263-L266 PolarHBondContact O-N 3.15Å; T264-L266 PolarHBondContact O-N 3.37Å; L266-M268 PolarHBondContact O-N 3.45Å; L266-G269 PolarHBondContact O-N 2.88Å; L266-V270 WeakPolarHBondContact CD2-O 3.05Å; L266-M301 HydrophobicContact CD1-CE 4.18Å; L266-L302 HydrophobicContact CD1-CD2 3.55Å; L266-L302 HydrophobicContact CD2-CD2 4.38Å; L266-I307 HydrophobicContact CD1-CD1 4.3Å
267	Q	97.3	Very high	98.4	Very high	103 Å²	103	20.7 Å²	20.7	48%	0.481	12%	0.118	S	C	.	.	H	α-helix	trans	-62.3	-24.3	174.9	-70.4	173	-36.2	0	0	112.7	Y46 L263 T264 A265	Y46-Q267 HydrophobicContact CD1-CG 4.44Å; Y46-Q267 HydrophobicContact CE1-CG 3.58Å; L263-Q267 VanDerWaalsContact O-CG 3.28Å; L263-Q267 WeakPolarHBondContact O-CG 3.14Å; L263-Q267 PolarHBondContact O-N 3.01Å; T264-Q267 WeakPolarHBondContact O-CB 3.34Å; T264-Q267 PolarHBondContact O-N 3.09Å; A265-Q267 VanDerWaalsContact C-N 3.35Å; A265-Q267 PolarHBondContact O-N 3.1Å
268	M	97.1	Very high	98.3	Very high	34 Å²	34	17.9 Å²	17.9	17%	0.167	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.5	175.2	-63.4	-173.4	73.7	0	0	113.3	F232 L235 Q236 M239 T264 A265 L266	F232-M268 HydrophobicContact CB-SD 4.23Å; F232-M268 HydrophobicContact CD2-CE 3.94Å; F232-M268 HydrophobicContact CD2-CG 4.15Å; F232-M268 HydrophobicContact CD2-SD 3.46Å; F232-M268 WeakPolarHBondContact CD2-SD 3.41Å; F232-M268 HydrophobicContact CE2-CE 4.03Å; F232-M268 HydrophobicContact CE2-CG 4.46Å; F232-M268 HydrophobicContact CE2-SD 4.08Å; F232-M268 HydrophobicContact CG-SD 4.08Å; L235-M268 HydrophobicContact CB-CE 3.69Å; L235-M268 HydrophobicContact CB-SD 3.65Å; L235-M268 HydrophobicContact CD1-CB 4.38Å; L235-M268 HydrophobicContact CD1-SD 3.81Å; L235-M268 HydrophobicContact CG-SD 4.38Å; Q236-M268 HydrophobicContact CB-CE 4.02Å; M239-M268 HydrophobicContact SD-CE 4.04Å; T264-M268 WeakPolarHBondContact O-CG 3.47Å; T264-M268 PolarHBondContact O-N 3.13Å; T264-M268 VanDerWaalsContact O-N 3.16Å; A265-M268 CarbonylContact O-C 3.58Å; A265-M268 WeakPolarHBondContact O-CA 3.48Å; A265-M268 PolarHBondContact O-N 3.01Å; L266-M268 PolarHBondContact O-N 3.45Å
269	G	96.9	Very high	98.2	Very high	30 Å²	30	18 Å²	18	31%	0.309	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	5.3	176.2	0	0	0	0	0	115.3	I244 A265 L266 S271	I244-G269 WeakPolarHBondContact CG1-O 3.21Å; A265-G269 PolarHBondContact O-N 3.47Å; L266-G269 PolarHBondContact O-N 2.88Å; G269-S271 PolarHBondContact O-N 2.87Å
270	V	98.5	Very high	98	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.093	C	C	.	.			trans	-62.6	131.4	170.5	177.8	0	0	0	0	108.1	P47 L235 I244 V249 A265 L266 V272	P47-V270 WeakPolarHBondContact CG-O 3.33Å; L235-V270 HydrophobicContact CD1-CG2 4.11Å; L235-V270 HydrophobicContact CD2-CG2 4.02Å; I244-V270 HydrophobicContact CD1-CB 4.32Å; I244-V270 HydrophobicContact CD1-CG2 3.53Å; V249-V270 HydrophobicContact CG1-CG1 4.28Å; V249-V270 HydrophobicContact CG2-CG1 4.28Å; A265-V270 HydrophobicContact CB-CB 3.99Å; A265-V270 HydrophobicContact CB-CG1 4.48Å; A265-V270 HydrophobicContact CB-CG2 4.03Å; A265-V270 WeakPolarHBondContact O-CB 3.3Å; A265-V270 PolarHBondContact O-N 3.23Å; L266-V270 WeakPolarHBondContact CD2-O 3.05Å; V270-V272 WeakPolarHBondContact CG1-O 3.38Å
271	S	98.6	Very high	97.4	Very high	37 Å²	37	13.7 Å²	13.7	26%	0.259	8%	0.082	S	C	.	.			trans	-122.3	14.2	-176.2	54.2	0	0	0	0	113.3	V50 K51 G269	V50-S271 CarbonylContact C-O 3.38Å; V50-S271 WeakPolarHBondContact CA-O 3.32Å; K51-S271 PolarHBondContact N-O 3.49Å; G269-S271 PolarHBondContact O-N 2.87Å
272	V	98.9	Very high	96.5	Very high	7 Å²	7	14.4 Å²	14.4	4%	0.042	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.7	178.3	-171.4	0	0	0	0	109.9	K51 V53 A248 V249 V270	K51-V272 HydrophobicContact CB-CG1 4.34Å; K51-V272 HydrophobicContact CB-CG2 4.2Å; K51-V272 WeakPolarHBondContact O-CA 3.36Å; V53-V272 HydrophobicContact CG2-CG1 3.82Å; A248-V272 WeakPolarHBondContact CA-O 3.14Å; A248-V272 HydrophobicContact CB-CB 3.67Å; A248-V272 HydrophobicContact CB-CG1 3.64Å; V249-V272 PolarHBondContact N-O 2.89Å; V249-V272 VanDerWaalsContact N-O 3.11Å; V270-V272 WeakPolarHBondContact CG1-O 3.38Å
273	V	98.9	Very high	95.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.7	-175.8	179.9	0	0	0	0	109.6	V50 K51 I52 V53 V249 I262 V298	V50-V273 HydrophobicContact CG1-CB 4.38Å; V50-V273 HydrophobicContact CG1-CG2 3.92Å; K51-V273 PolarHBondContact O-N 2.97Å; I52-V273 WeakPolarHBondContact CA-O 3.37Å; I52-V273 HydrophobicContact CD1-CB 4.33Å; V53-V273 PolarHBondContact N-O 3.36Å; V249-V273 HydrophobicContact CG2-CG2 4.08Å; I262-V273 HydrophobicContact CD1-CG1 3.75Å; I262-V273 HydrophobicContact CG1-CG1 4Å; I262-V273 HydrophobicContact CG2-CG1 4.08Å; I262-V273 HydrophobicContact CG2-CG2 3.84Å; V273-V298 HydrophobicContact CG1-CG1 4.17Å
274	D	98.9	Very high	93.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.9	173.5	-59.2	-2.2	0	0	0	109.8	V53 V55 R182 Y184 S218 V249 H250	V53-D274 WeakPolarHBondContact CB-OD1 3.33Å; V53-D274 WeakPolarHBondContact O-CA 3.39Å; V55-D274 HydrophobicContact CG1-CB 4.28Å; R182-D274 IonicContact CZ-OD1 2.91Å; R182-D274 IonicContact CZ-OD2 2.86Å; R182-D274 VanDerWaalsContact NH1-CG 3.31Å; R182-D274 IonicContact NH1-OD1 2.68Å; R182-D274 PolarHBondContact NH1-OD1 3.14Å; R182-D274 IonicContact NH1-OD2 3.43Å; R182-D274 PolarHBondContact NH1-OD2 2.81Å; R182-D274 IonicContact NH2-OD1 3.06Å; R182-D274 PolarHBondContact NH2-OD1 3.37Å; R182-D274 IonicContact NH2-OD2 2.66Å; Y184-D274 VanDerWaalsContact CE1-OD2 3.32Å; Y184-D274 WeakPolarHBondContact CE1-OD2 2.98Å; S218-D274 WeakPolarHBondContact CB-OD2 3.44Å; S218-D274 PolarHBondContact OG-OD2 3.27Å; V249-D274 PolarHBondContact O-N 2.87Å; H250-D274 HydrophobicContact CB-CB 3.8Å; H250-D274 WeakPolarHBondContact ND1-CB 3.18Å; H250-D274 IonicContact ND1-OD2 3.9Å
275	S	98.8	Very high	92.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	161	178.9	59.2	0	0	0	0	111.2	I52 V53 E54 V55 T295	I52-S275 WeakPolarHBondContact CG2-OG 3.43Å; V53-S275 PolarHBondContact O-N 3.13Å; E54-S275 WeakPolarHBondContact CA-O 3.35Å; V55-S275 WeakPolarHBondContact CG2-O 3.07Å; V55-S275 PolarHBondContact N-O 3.04Å; S275-T295 VanDerWaalsContact C-OG1 3.31Å; S275-T295 WeakPolarHBondContact CB-OG1 3.48Å; S275-T295 WeakPolarHBondContact OG-CA 3.35Å; S275-T295 WeakPolarHBondContact OG-CB 3.28Å; S275-T295 PolarHBondContact OG-OG1 3Å
276	A	98.4	Very high	90.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-119.8	130.7	177.5	0	0	0	0	0	111.6	E54 V55 A278 G279 L280 N292 V293 S294 T295	E54-A276 WeakPolarHBondContact OE1-CA 3.47Å; V55-A276 HydrophobicContact CG2-CB 4.27Å; A276-A278 PolarHBondContact O-N 2.87Å; A276-G279 WeakPolarHBondContact O-CA 3.33Å; A276-G279 PolarHBondContact O-N 3.43Å; A276-L280 HydrophobicContact CB-CB 4.19Å; A276-N292 HydrophobicContact CB-CB 3.42Å; A276-N292 VanDerWaalsContact CB-CB 3.42Å; A276-V293 PolarHBondContact N-O 3.17Å; A276-S294 VanDerWaalsContact O-CA 3.28Å; A276-S294 WeakPolarHBondContact O-CA 3.21Å; A276-T295 PolarHBondContact N-OG1 2.89Å; A276-T295 PolarHBondContact O-N 2.72Å
277	V	98.4	Very high	88.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-51.7	138.2	175.1	65.1	0	0	0	0	110.9	E54 L76 L80 G279 L280 T295 V316 I323	E54-V277 PolarHBondContact OE1-N 2.93Å; E54-V277 PolarHBondContact OE2-N 3.38Å; E54-V277 VanDerWaalsContact OE2-N 3.16Å; L76-V277 HydrophobicContact CD1-CG1 4.11Å; L80-V277 HydrophobicContact CD2-CB 4.14Å; L80-V277 HydrophobicContact CD2-CG1 4.32Å; L80-V277 HydrophobicContact CD2-CG2 4.29Å; V277-G279 PolarHBondContact O-N 3.12Å; V277-L280 HydrophobicContact CG1-CD1 3.61Å; V277-L280 WeakPolarHBondContact O-CB 3.11Å; V277-L280 WeakPolarHBondContact O-CG 3.2Å; V277-L280 PolarHBondContact O-N 2.88Å; V277-T295 PolarHBondContact N-OG1 3.38Å; V277-V316 HydrophobicContact CG2-CG1 3.93Å; V277-I323 HydrophobicContact CG1-CG2 4.46Å
278	A	96.9	Very high	86.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	54.5	18.5	-176.8	0	0	0	0	0	115.3	A276 L280 E296 C324 T331 N332	A276-A278 PolarHBondContact O-N 2.87Å; A278-L280 VanDerWaalsContact C-N 3.31Å; A278-L280 PolarHBondContact O-N 3.31Å; A278-E296 VanDerWaalsContact CA-OE1 3.27Å; A278-E296 WeakPolarHBondContact CA-OE1 3.28Å; A278-E296 VanDerWaalsContact N-CD 3.3Å; A278-E296 PolarHBondContact N-OE1 2.88Å; A278-E296 PolarHBondContact N-OE2 3.22Å; A278-C324 VanDerWaalsContact CB-SG 3.57Å; A278-T331 WeakPolarHBondContact CA-OG1 3.14Å; A278-T331 WeakPolarHBondContact CB-OG1 3.31Å; A278-N332 WeakPolarHBondContact O-CB 2.98Å; A278-N332 PolarHBondContact O-N 3.37Å
279	G	95.8	Very high	84.5	Confident	1 Å²	1	30 Å²	30	1%	0.01	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	56.1	45.6	-171.5	0	0	0	0	0	111.7	A276 V277 N332	A276-G279 WeakPolarHBondContact O-CA 3.33Å; A276-G279 PolarHBondContact O-N 3.43Å; V277-G279 PolarHBondContact O-N 3.12Å; G279-N332 PolarHBondContact O-ND2 3.28Å
280	L	94.3	Very high	83.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.194	C	C	.	.			trans	-59.3	147.3	175	-77.3	166.3	0	0	0	112.5	L61 E64 A276 V277 A278 N292 I323 L327 R329	L61-L280 HydrophobicContact CD2-CD1 4.31Å; L61-L280 HydrophobicContact CD2-CD2 4.13Å; E64-L280 HydrophobicContact CG-CD2 4.4Å; E64-L280 WeakPolarHBondContact OE1-CD2 3.38Å; A276-L280 HydrophobicContact CB-CB 4.19Å; V277-L280 HydrophobicContact CG1-CD1 3.61Å; V277-L280 WeakPolarHBondContact O-CB 3.11Å; V277-L280 WeakPolarHBondContact O-CG 3.2Å; V277-L280 PolarHBondContact O-N 2.88Å; A278-L280 VanDerWaalsContact C-N 3.31Å; A278-L280 PolarHBondContact O-N 3.31Å; L280-N292 PolarHBondContact O-ND2 2.73Å; L280-I323 HydrophobicContact CD1-CG1 4.09Å; L280-I323 HydrophobicContact CD1-CG2 4.05Å; L280-I323 HydrophobicContact CD2-CG1 4.2Å; L280-L327 HydrophobicContact CD2-CD1 3.42Å; L280-L327 VanDerWaalsContact CD2-CD1 3.42Å; L280-R329 VanDerWaalsContact CA-NH2 3.31Å
281	G	86.6	Confident	82.6	Confident	10 Å²	10	30.4 Å²	30.4	10%	0.103	19%	0.194	C	C	.	.			trans	102.3	-169.2	-179.6	0	0	0	0	0	112.9	G60 E64	G60-G281 WeakPolarHBondContact O-CA 3.37Å; G60-G281 PolarHBondContact O-N 3.25Å; E64-G281 PolarHBondContact OE1-N 3.29Å
282	G	79.4	Confident	82.4	Confident	15 Å²	15	28.8 Å²	28.8	16%	0.155	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-171.4	157.3	-178	0	0	0	0	0	109.1	P284	G282-P284 WeakPolarHBondContact O-CD 3.44Å
283	C	70.6	Confident	82.4	Confident	8 Å²	8	28.5 Å²	28.5	5%	0.054	18%	0.181	C	C	.	.			trans	-89.2	113.1	173.8	-176	0	0	0	0	109.2	Y285 A286 S289	C283-Y285 PolarHBondContact O-N 3.42Å; C283-A286 HydrophobicContact CB-CB 4.12Å; C283-A286 CarbonylContact O-C 3.51Å; C283-A286 PolarHBondContact O-N 2.94Å; C283-S289 WeakPolarHBondContact CB-OG 3.46Å
284	P	70	Confident	82.3	Confident	92 Å²	92	28.7 Å²	28.7	60%	0.597	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.5	177.3	23.7	-32	0	0	0	112.6	G282	G282-P284 WeakPolarHBondContact O-CD 3.44Å
285	Y	66.4	Low	82.3	Confident	87 Å²	87	28.7 Å²	28.7	34%	0.341	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.4	179	-49.2	-78.1	0	0	0	113.9	F151 N155 P192 H193 I223 C283	F151-Y285 AromaticContact CE2-CE2 3.68Å; F151-Y285 HydrophobicContact CE2-CE2 3.68Å; F151-Y285 AromaticContact CE2-CZ 3.67Å; F151-Y285 WeakPolarHBondContact CE2-OH 3.36Å; F151-Y285 HydrophobicContact CZ-CE2 4.28Å; N155-Y285 PolarHBondContact ND2-OH 3.5Å; N155-Y285 PolarHBondContact OD1-OH 3.33Å; P192-Y285 HydrophobicContact CB-CD1 4.04Å; P192-Y285 HydrophobicContact CB-CD2 4.48Å; P192-Y285 HydrophobicContact CB-CG 3.92Å; P192-Y285 HydrophobicContact CG-CD1 3.95Å; P192-Y285 HydrophobicContact CG-CD2 4.1Å; P192-Y285 HydrophobicContact CG-CE1 4.14Å; P192-Y285 HydrophobicContact CG-CE2 4.3Å; P192-Y285 HydrophobicContact CG-CG 3.92Å; H193-Y285 AromaticContact CE1-CE1 3.93Å; H193-Y285 AromaticContact NE2-CE1 3.83Å; I223-Y285 HydrophobicContact CG2-CD2 4.1Å; C283-Y285 PolarHBondContact O-N 3.42Å
286	A	58.5	Low	82.3	Confident	21 Å²	21	28.7 Å²	28.7	17%	0.174	18%	0.183	C	C	.	.	S	Bend	trans	-133.4	96.6	179.2	0	0	0	0	0	110.2	T254 C283 G288 S289	T254-A286 HydrophobicContact CG2-CB 3.86Å; C283-A286 HydrophobicContact CB-CB 4.12Å; C283-A286 CarbonylContact O-C 3.51Å; C283-A286 PolarHBondContact O-N 2.94Å; A286-G288 PolarHBondContact O-N 2.88Å; A286-S289 WeakPolarHBondContact CB-OG 3.49Å; A286-S289 WeakPolarHBondContact O-CB 3.49Å; A286-S289 PolarHBondContact O-N 2.8Å; A286-S289 VanDerWaalsContact O-N 3.15Å; A286-S289 PolarHBondContact O-OG 3.24Å
287	Q	54.7	Low	82.4	Confident	203 Å²	203	29.6 Å²	29.6	95%	0.949	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	121.7	-178.2	-73.6	-174.3	-13	0	0	111.5	S289	Q287-S289 VanDerWaalsContact C-N 3.32Å; Q287-S289 PolarHBondContact O-N 2.6Å
288	G	54.6	Low	82.4	Confident	91 Å²	91	29.6 Å²	29.6	94%	0.938	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	5.7	176.6	0	0	0	0	0	115.4	A286	A286-G288 PolarHBondContact O-N 2.88Å
289	S	60.6	Low	82.5	Confident	29 Å²	29	29.6 Å²	29.6	20%	0.203	19%	0.187	C	C	.	.			trans	-83.5	154	176.7	64.8	0	0	0	0	112.9	T254 C283 A286 Q287	T254-S289 WeakPolarHBondContact CG2-OG 3.12Å; C283-S289 WeakPolarHBondContact CB-OG 3.46Å; A286-S289 WeakPolarHBondContact CB-OG 3.49Å; A286-S289 WeakPolarHBondContact O-CB 3.49Å; A286-S289 PolarHBondContact O-N 2.8Å; A286-S289 VanDerWaalsContact O-N 3.15Å; A286-S289 PolarHBondContact O-OG 3.24Å; Q287-S289 VanDerWaalsContact C-N 3.32Å; Q287-S289 PolarHBondContact O-N 2.6Å
290	S	68	Low	82.6	Confident	37 Å²	37	36.5 Å²	36.5	26%	0.259	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-56.4	141.7	165.1	21.3	0	0	0	0	110.5	D253 T254	D253-S290 VanDerWaalsContact C-OG 3.23Å; D253-S290 PolarHBondContact O-OG 2.88Å; T254-S290 WeakPolarHBondContact CA-O 3.37Å; T254-S290 PolarHBondContact OG1-O 3.48Å
291	G	86.3	Confident	82.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.			trans	-87.4	-120	170.4	0	0	0	0	0	110.6	H252 D253	H252-G291 CarbonylContact C-O 3.52Å; H252-G291 WeakPolarHBondContact CA-O 3.13Å; H252-G291 VanDerWaalsContact CB-O 3.25Å; H252-G291 WeakPolarHBondContact CB-O 3.28Å; D253-G291 PolarHBondContact N-O 2.77Å
292	N	95.9	Very high	83.4	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.021	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-53.6	149.6	174.1	-68.7	-68.6	0	0	0	113.1	D59 H250 H252 A276 L280	D59-N292 PolarHBondContact OD2-ND2 2.8Å; D59-N292 PolarHBondContact OD2-OD1 3.23Å; H250-N292 PolarHBondContact CE1-OD1 3.3Å; H250-N292 PolarHBondContact NE2-OD1 2.83Å; H252-N292 PolarHBondContact NE2-OD1 3.29Å; A276-N292 HydrophobicContact CB-CB 3.42Å; A276-N292 VanDerWaalsContact CB-CB 3.42Å; L280-N292 PolarHBondContact O-ND2 2.73Å
293	V	97.9	Very high	84.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-58.5	142.2	162.7	70.7	0	0	0	0	110.4	C251 A258 L259 I262 A276 V298	C251-V293 WeakPolarHBondContact O-CB 3.4Å; C251-V293 PolarHBondContact O-N 3.03Å; C251-V293 VanDerWaalsContact O-N 3.13Å; A258-V293 HydrophobicContact CB-CB 3.61Å; A258-V293 HydrophobicContact CB-CG2 3.62Å; L259-V293 HydrophobicContact CD2-CG2 4.08Å; L259-V293 HydrophobicContact CG-CG2 4.39Å; I262-V293 HydrophobicContact CD1-CB 4.49Å; I262-V293 HydrophobicContact CD1-CG1 3.96Å; I262-V293 HydrophobicContact CD1-CG2 4.3Å; A276-V293 PolarHBondContact N-O 3.17Å; V293-V298 HydrophobicContact CB-CG2 4.36Å; V293-V298 HydrophobicContact CG1-CG2 3.74Å; V293-V298 HydrophobicContact CG2-CG2 3.69Å
294	S	98.3	Very high	85.6	Confident	4 Å²	4	43.4 Å²	43.4	3%	0.028	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-74.9	133.8	178.9	82.2	0	0	0	0	111.6	A276 E296 D297 V298 S333	A276-S294 VanDerWaalsContact O-CA 3.28Å; A276-S294 WeakPolarHBondContact O-CA 3.21Å; S294-E296 PolarHBondContact O-N 3.43Å; S294-D297 PolarHBondContact O-N 3.19Å; S294-D297 WeakPolarHBondContact OG-CB 3.4Å; S294-D297 PolarHBondContact OG-N 2.84Å; S294-D297 PolarHBondContact OG-OD1 3.04Å; S294-D297 PolarHBondContact OG-OD2 3.43Å; S294-V298 WeakPolarHBondContact O-CG2 3.29Å; S294-V298 PolarHBondContact O-N 3.47Å; S294-V298 VanDerWaalsContact O-N 3.13Å; S294-S333 WeakPolarHBondContact OG-CA 3.2Å; S294-S333 WeakPolarHBondContact OG-CB 3.24Å
295	T	98.8	Very high	86.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-38.9	178.4	-61	0	0	0	0	111.4	I52 E54 S275 A276 V277 D297 V298 L299 V316	I52-T295 HydrophobicContact CG2-CG2 4.06Å; E54-T295 WeakPolarHBondContact OE2-CB 3.34Å; E54-T295 PolarHBondContact OE2-OG1 2.79Å; S275-T295 VanDerWaalsContact C-OG1 3.31Å; S275-T295 WeakPolarHBondContact CB-OG1 3.48Å; S275-T295 WeakPolarHBondContact OG-CA 3.35Å; S275-T295 WeakPolarHBondContact OG-CB 3.28Å; S275-T295 PolarHBondContact OG-OG1 3Å; A276-T295 PolarHBondContact N-OG1 2.89Å; A276-T295 PolarHBondContact O-N 2.72Å; V277-T295 PolarHBondContact N-OG1 3.38Å; T295-D297 PolarHBondContact O-N 3.46Å; T295-V298 PolarHBondContact O-N 2.7Å; T295-L299 HydrophobicContact CG2-CD1 3.92Å; T295-L299 HydrophobicContact CG2-CG 4.22Å; T295-L299 WeakPolarHBondContact O-CB 3.44Å; T295-L299 WeakPolarHBondContact O-CG 3.25Å; T295-L299 PolarHBondContact O-N 3.33Å; T295-V316 HydrophobicContact CG2-CG1 4.05Å
296	E	98.8	Very high	88.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-43	178.2	-59.2	93.5	139.1	0	0	112.5	A278 S294 L299 Y300 L313 V316 I317 S333 V335	A278-E296 VanDerWaalsContact CA-OE1 3.27Å; A278-E296 WeakPolarHBondContact CA-OE1 3.28Å; A278-E296 VanDerWaalsContact N-CD 3.3Å; A278-E296 PolarHBondContact N-OE1 2.88Å; A278-E296 PolarHBondContact N-OE2 3.22Å; S294-E296 PolarHBondContact O-N 3.43Å; E296-L299 PolarHBondContact O-N 2.94Å; E296-Y300 WeakPolarHBondContact O-CB 3.45Å; E296-Y300 PolarHBondContact O-N 3.31Å; E296-L313 HydrophobicContact CB-CD1 3.96Å; E296-L313 HydrophobicContact CG-CD1 4.34Å; E296-V316 HydrophobicContact CG-CG1 3.85Å; E296-I317 HydrophobicContact CG-CG1 3.87Å; E296-S333 VanDerWaalsContact CB-OG 3.24Å; E296-S333 WeakPolarHBondContact CB-OG 3.43Å; E296-V335 HydrophobicContact CB-CB 4.33Å
297	D	98.8	Very high	90.2	Very high	18 Å²	18	40.2 Å²	40.2	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-72.6	-34.9	-178.8	-59.4	-17.1	0	0	0	110.9	L259 S294 T295 M301 S333 K334 V335	L259-D297 HydrophobicContact CD1-CB 4.27Å; S294-D297 PolarHBondContact O-N 3.19Å; S294-D297 WeakPolarHBondContact OG-CB 3.4Å; S294-D297 PolarHBondContact OG-N 2.84Å; S294-D297 PolarHBondContact OG-OD1 3.04Å; S294-D297 PolarHBondContact OG-OD2 3.43Å; T295-D297 PolarHBondContact O-N 3.46Å; D297-M301 PolarHBondContact O-N 2.9Å; D297-M301 VanDerWaalsContact O-N 3.12Å; D297-S333 PolarHBondContact OD1-OG 2.96Å; D297-K334 PolarHBondContact OD1-N 3.07Å; D297-K334 PolarHBondContact OD2-N 2.92Å; D297-V335 WeakPolarHBondContact OD1-CB 3.36Å; D297-V335 WeakPolarHBondContact OD1-CG2 3.39Å; D297-V335 PolarHBondContact OD1-N 3.33Å
298	V	98.9	Very high	92.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-49.2	171.5	175.1	0	0	0	0	110.7	I52 L259 I262 V273 V293 S294 T295 Y300 M301 L302	I52-V298 HydrophobicContact CD1-CG1 3.79Å; L259-V298 HydrophobicContact CD2-CB 4.45Å; L259-V298 HydrophobicContact CD2-CG2 3.83Å; I262-V298 HydrophobicContact CD1-CG2 3.96Å; V273-V298 HydrophobicContact CG1-CG1 4.17Å; V293-V298 HydrophobicContact CB-CG2 4.36Å; V293-V298 HydrophobicContact CG1-CG2 3.74Å; V293-V298 HydrophobicContact CG2-CG2 3.69Å; S294-V298 WeakPolarHBondContact O-CG2 3.29Å; S294-V298 PolarHBondContact O-N 3.47Å; S294-V298 VanDerWaalsContact O-N 3.13Å; T295-V298 PolarHBondContact O-N 2.7Å; V298-Y300 VanDerWaalsContact C-N 3.32Å; V298-Y300 PolarHBondContact O-N 2.92Å; V298-M301 PolarHBondContact O-N 2.9Å; V298-L302 HydrophobicContact CG1-CD1 3.72Å; V298-L302 HydrophobicContact CG1-CG 4.26Å; V298-L302 VanDerWaalsContact O-CG 3.31Å; V298-L302 WeakPolarHBondContact O-CG 3.31Å; V298-L302 PolarHBondContact O-N 3.38Å
299	L	98.9	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-43.5	178.3	-73.6	174.1	0	0	0	111.8	I52 T295 E296 M301 L302 H303 T309 V311 L313 V316	I52-L299 HydrophobicContact CG1-CD2 4.08Å; T295-L299 HydrophobicContact CG2-CD1 3.92Å; T295-L299 HydrophobicContact CG2-CG 4.22Å; T295-L299 WeakPolarHBondContact O-CB 3.44Å; T295-L299 WeakPolarHBondContact O-CG 3.25Å; T295-L299 PolarHBondContact O-N 3.33Å; E296-L299 PolarHBondContact O-N 2.94Å; L299-M301 VanDerWaalsContact C-N 3.34Å; L299-M301 PolarHBondContact O-N 3.47Å; L299-L302 PolarHBondContact O-N 3.46Å; L299-H303 VanDerWaalsContact O-CB 3.31Å; L299-H303 WeakPolarHBondContact O-CB 3.44Å; L299-H303 PolarHBondContact O-N 3.5Å; L299-T309 HydrophobicContact CD2-CG2 4.04Å; L299-T309 WeakPolarHBondContact CD2-OG1 3.48Å; L299-V311 HydrophobicContact CD1-CB 4.14Å; L299-V311 HydrophobicContact CD1-CG1 3.69Å; L299-V311 HydrophobicContact CD2-CB 3.74Å; L299-V311 HydrophobicContact CD2-CG1 4.2Å; L299-V311 HydrophobicContact CD2-CG2 4.18Å; L299-L313 HydrophobicContact CB-CD1 4.06Å; L299-L313 HydrophobicContact CD1-CD1 4.24Å; L299-V316 HydrophobicContact CD1-CB 4.34Å; L299-V316 HydrophobicContact CD1-CG1 4.49Å; L299-V316 HydrophobicContact CD1-CG2 3.9Å
300	Y	98.8	Very high	96.1	Very high	147 Å²	147	34.6 Å²	34.6	58%	0.576	22%	0.216	S	C	*	.	H	α-helix	trans	-60.1	-43.9	177.9	-174.7	-90.2	0	0	0	112.1	E296 V298 G304 L313 V335	E296-Y300 WeakPolarHBondContact O-CB 3.45Å; E296-Y300 PolarHBondContact O-N 3.31Å; V298-Y300 VanDerWaalsContact C-N 3.32Å; V298-Y300 PolarHBondContact O-N 2.92Å; Y300-G304 PolarHBondContact O-N 3.42Å; Y300-L313 HydrophobicContact CD2-CD2 4.38Å; Y300-V335 VanDerWaalsContact CB-CG2 3.47Å; Y300-V335 HydrophobicContact CD1-CG2 4.15Å; Y300-V335 HydrophobicContact CD2-CG1 4.12Å; Y300-V335 HydrophobicContact CD2-CG2 3.87Å; Y300-V335 HydrophobicContact CG-CG2 3.56Å
301	M	98.8	Very high	97.6	Very high	33 Å²	33	33.2 Å²	33.2	16%	0.163	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-51.9	174.4	-178.6	-178.2	72.2	0	0	111.3	L259 I262 L263 L266 D297 V298 L299 G304 M305	L259-M301 HydrophobicContact CB-SD 4.14Å; L259-M301 HydrophobicContact CD2-CE 4.03Å; L259-M301 HydrophobicContact CD2-SD 4.11Å; I262-M301 HydrophobicContact CB-CE 4.38Å; I262-M301 HydrophobicContact CG2-CE 3.82Å; L263-M301 HydrophobicContact CB-SD 4.5Å; L266-M301 HydrophobicContact CD1-CE 4.18Å; D297-M301 PolarHBondContact O-N 2.9Å; D297-M301 VanDerWaalsContact O-N 3.12Å; V298-M301 PolarHBondContact O-N 2.9Å; L299-M301 VanDerWaalsContact C-N 3.34Å; L299-M301 PolarHBondContact O-N 3.47Å; M301-G304 PolarHBondContact O-N 3.34Å; M301-M305 HydrophobicContact CG-SD 3.69Å; M301-M305 WeakPolarHBondContact O-CB 3.35Å; M301-M305 VanDerWaalsContact O-CG 3.23Å; M301-M305 WeakPolarHBondContact O-CG 3.35Å; M301-M305 PolarHBondContact O-N 3.05Å; M301-M305 HydrophobicContact SD-SD 4.4Å
302	L	98.7	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-47.2	-176.9	-68.4	173.8	0	0	0	112.3	V50 I52 L266 V298 L299 G304 M305 G306 I307 T309	V50-L302 HydrophobicContact CB-CD1 4.06Å; V50-L302 HydrophobicContact CB-CD2 4.37Å; V50-L302 HydrophobicContact CG1-CD1 3.81Å; V50-L302 HydrophobicContact CG1-CD2 4.5Å; V50-L302 HydrophobicContact CG2-CD2 4.12Å; I52-L302 HydrophobicContact CD1-CD1 3.77Å; L266-L302 HydrophobicContact CD1-CD2 3.55Å; L266-L302 HydrophobicContact CD2-CD2 4.38Å; V298-L302 HydrophobicContact CG1-CD1 3.72Å; V298-L302 HydrophobicContact CG1-CG 4.26Å; V298-L302 VanDerWaalsContact O-CG 3.31Å; V298-L302 WeakPolarHBondContact O-CG 3.31Å; V298-L302 PolarHBondContact O-N 3.38Å; L299-L302 PolarHBondContact O-N 3.46Å; L302-G304 VanDerWaalsContact C-N 3.35Å; L302-G304 PolarHBondContact O-N 3.23Å; L302-M305 CarbonylContact O-C 3.47Å; L302-M305 PolarHBondContact O-N 2.96Å; L302-G306 PolarHBondContact O-N 2.95Å; L302-I307 HydrophobicContact CB-CB 4.33Å; L302-I307 HydrophobicContact CD2-CB 4.24Å; L302-I307 HydrophobicContact CD2-CD1 3.83Å; L302-I307 HydrophobicContact CD2-CG2 4.14Å; L302-I307 PolarHBondContact O-N 3.06Å; L302-T309 HydrophobicContact CB-CG2 4.05Å; L302-T309 HydrophobicContact CD1-CG2 3.65Å; L302-T309 HydrophobicContact CG-CG2 4.5Å
303	H	98.3	Very high	98.3	Very high	73 Å²	73	37.5 Å²	37.5	34%	0.338	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-41.2	177.4	-66.1	172.4	0	0	0	111.6	L299 M305 G306 T309 V311	L299-H303 VanDerWaalsContact O-CB 3.31Å; L299-H303 WeakPolarHBondContact O-CB 3.44Å; L299-H303 PolarHBondContact O-N 3.5Å; H303-M305 VanDerWaalsContact C-N 3.26Å; H303-M305 PolarHBondContact O-N 3.35Å; H303-G306 PolarHBondContact O-N 3.29Å; H303-T309 PolarHBondContact NE2-OG1 3.39Å; H303-V311 PolarHBondContact CE1-O 2.99Å; H303-V311 VanDerWaalsContact CE1-O 3.28Å
304	G	97.8	Very high	98.3	Very high	71 Å²	71	41.6 Å²	41.6	73%	0.732	25%	0.251	S	S	*	.	H	α-helix	trans	-64.4	-29.4	175.5	0	0	0	0	0	113.6	Y300 M301 L302 G306	Y300-G304 PolarHBondContact O-N 3.42Å; M301-G304 PolarHBondContact O-N 3.34Å; L302-G304 VanDerWaalsContact C-N 3.35Å; L302-G304 PolarHBondContact O-N 3.23Å; G304-G306 VanDerWaalsContact C-N 3.29Å
305	M	96.7	Very high	98.3	Very high	61 Å²	61	45.3 Å²	45.3	30%	0.3	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.7	173	-68.4	170.3	67	0	0	113.4	Y46 L263 M301 L302 H303 I307	Y46-M305 HydrophobicContact CD1-CE 3.96Å; Y46-M305 HydrophobicContact CD2-CE 3.81Å; Y46-M305 HydrophobicContact CE1-CE 3.6Å; Y46-M305 HydrophobicContact CE2-CE 3.46Å; Y46-M305 VanDerWaalsContact CE2-CE 3.46Å; Y46-M305 HydrophobicContact CG-CE 4.06Å; L263-M305 HydrophobicContact CD1-CE 3.52Å; L263-M305 HydrophobicContact CD1-SD 4.05Å; M301-M305 HydrophobicContact CG-SD 3.69Å; M301-M305 WeakPolarHBondContact O-CB 3.35Å; M301-M305 VanDerWaalsContact O-CG 3.23Å; M301-M305 WeakPolarHBondContact O-CG 3.35Å; M301-M305 PolarHBondContact O-N 3.05Å; M301-M305 HydrophobicContact SD-SD 4.4Å; L302-M305 CarbonylContact O-C 3.47Å; L302-M305 PolarHBondContact O-N 2.96Å; H303-M305 VanDerWaalsContact C-N 3.26Å; H303-M305 PolarHBondContact O-N 3.35Å; M305-I307 HydrophobicContact CB-CD1 4.13Å; M305-I307 HydrophobicContact CB-CG1 4.21Å; M305-I307 HydrophobicContact CE-CD1 3.87Å; M305-I307 HydrophobicContact SD-CD1 4.44Å
306	G	96.3	Very high	98.3	Very high	65 Å²	65	45.3 Å²	45.3	67%	0.67	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	19.7	-176.4	0	0	0	0	0	114.4	L302 H303 G304	L302-G306 PolarHBondContact O-N 2.95Å; H303-G306 PolarHBondContact O-N 3.29Å; G304-G306 VanDerWaalsContact C-N 3.29Å
307	I	97.9	Very high	98.3	Very high	8 Å²	8	46 Å²	46	4%	0.041	27%	0.27	C	S	.	.			trans	-88.1	131	176.6	-62.5	170.5	0	0	0	109.3	Y46 P47 V50 L266 L302 M305	Y46-I307 HydrophobicContact CG-CD1 4.14Å; P47-I307 WeakPolarHBondContact O-CG2 3.5Å; V50-I307 HydrophobicContact CB-CG2 4.01Å; V50-I307 HydrophobicContact CG2-CG2 3.57Å; L266-I307 HydrophobicContact CD1-CD1 4.3Å; L302-I307 HydrophobicContact CB-CB 4.33Å; L302-I307 HydrophobicContact CD2-CB 4.24Å; L302-I307 HydrophobicContact CD2-CD1 3.83Å; L302-I307 HydrophobicContact CD2-CG2 4.14Å; L302-I307 PolarHBondContact O-N 3.06Å; M305-I307 HydrophobicContact CB-CD1 4.13Å; M305-I307 HydrophobicContact CB-CG1 4.21Å; M305-I307 HydrophobicContact CE-CD1 3.87Å; M305-I307 HydrophobicContact SD-CD1 4.44Å
308	E	98.3	Very high	98.3	Very high	138 Å²	138	51 Å²	51	65%	0.645	29%	0.293	S	S	*	.	B	Isolated β-bridge	trans	-77	140	179.8	-64.1	-174.2	-179.2	0	0	111.7	A48 F49 V50	A48-E308 WeakPolarHBondContact O-CB 3.27Å; A48-E308 PolarHBondContact O-N 3.28Å; F49-E308 CarbonylContact C-O 3.58Å; F49-E308 VanDerWaalsContact CA-O 3.27Å; F49-E308 WeakPolarHBondContact CA-O 3.19Å; F49-E308 HydrophobicContact CD2-CB 3.85Å; F49-E308 WeakPolarHBondContact CD2-O 3.46Å; V50-E308 PolarHBondContact N-O 3.35Å
309	T	98.6	Very high	98.2	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.031	29%	0.293	C	S	.	.			trans	-129.5	-18.7	172.8	67.9	0	0	0	0	113.5	F49 I52 L299 L302 H303 V311	F49-T309 WeakPolarHBondContact CZ-O 3.26Å; I52-T309 HydrophobicContact CG1-CG2 4.46Å; L299-T309 HydrophobicContact CD2-CG2 4.04Å; L299-T309 WeakPolarHBondContact CD2-OG1 3.48Å; L302-T309 HydrophobicContact CB-CG2 4.05Å; L302-T309 HydrophobicContact CD1-CG2 3.65Å; L302-T309 HydrophobicContact CG-CG2 4.5Å; H303-T309 PolarHBondContact NE2-OG1 3.39Å; T309-V311 PolarHBondContact O-N 2.97Å; T309-V311 PolarHBondContact OG1-N 2.65Å
310	G	97.9	Very high	98.2	Very high	61 Å²	61	51.1 Å²	51.1	63%	0.629	29%	0.293	S	S	*	.			trans	72.9	-1.4	-171.6	0	0	0	0	0	114.8
311	V	98.7	Very high	98.1	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.055	28%	0.28	C	S	.	.			trans	-96.8	133.2	-174.1	-170.7	0	0	0	0	111.7	T83 L85 L299 H303 T309 L313 V316	T83-V311 CarbonylContact O-C 3.46Å; T83-V311 WeakPolarHBondContact O-CA 3.48Å; L85-V311 HydrophobicContact CD2-CG1 4.3Å; L85-V311 HydrophobicContact CD2-CG2 3.88Å; L85-V311 HydrophobicContact CG-CG1 4.09Å; L85-V311 HydrophobicContact CG-CG2 4.2Å; L299-V311 HydrophobicContact CD1-CB 4.14Å; L299-V311 HydrophobicContact CD1-CG1 3.69Å; L299-V311 HydrophobicContact CD2-CB 3.74Å; L299-V311 HydrophobicContact CD2-CG1 4.2Å; L299-V311 HydrophobicContact CD2-CG2 4.18Å; H303-V311 PolarHBondContact CE1-O 2.99Å; H303-V311 VanDerWaalsContact CE1-O 3.28Å; T309-V311 PolarHBondContact O-N 2.97Å; T309-V311 PolarHBondContact OG1-N 2.65Å; V311-L313 PolarHBondContact O-N 3.02Å; V311-V316 HydrophobicContact CG1-CG2 3.6Å
312	N	98.6	Very high	98.1	Very high	73 Å²	73	47.2 Å²	47.2	39%	0.39	28%	0.281	S	S	.	.			trans	-83.8	106.4	175	-175.1	-52.1	0	0	0	110.9	T83 D314 K315 V316	T83-N312 WeakPolarHBondContact O-CB 3.27Å; T83-N312 PolarHBondContact O-N 3.46Å; N312-D314 VanDerWaalsContact C-N 3.31Å; N312-D314 PolarHBondContact O-N 3.35Å; N312-D314 WeakPolarHBondContact OD1-CB 3.22Å; N312-D314 PolarHBondContact OD1-N 2.99Å; N312-K315 HydrophobicContact CB-CB 4.3Å; N312-K315 HydrophobicContact CB-CD 4.26Å; N312-K315 HydrophobicContact CB-CG 4.24Å; N312-K315 PolarHBondContact O-N 2.98Å; N312-K315 PolarHBondContact OD1-N 3.37Å; N312-V316 WeakPolarHBondContact O-CG2 3.45Å; N312-V316 PolarHBondContact O-N 3.12Å
313	L	98.5	Very high	98.1	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-39.1	-179.2	176.8	59.7	0	0	0	113.5	E296 L299 Y300 V311 K315 V316 I317 V335	E296-L313 HydrophobicContact CB-CD1 3.96Å; E296-L313 HydrophobicContact CG-CD1 4.34Å; L299-L313 HydrophobicContact CB-CD1 4.06Å; L299-L313 HydrophobicContact CD1-CD1 4.24Å; Y300-L313 HydrophobicContact CD2-CD2 4.38Å; V311-L313 PolarHBondContact O-N 3.02Å; L313-K315 PolarHBondContact O-N 3.48Å; L313-V316 PolarHBondContact O-N 3.45Å; L313-I317 HydrophobicContact CD1-CD1 4.15Å; L313-I317 HydrophobicContact CD1-CG1 4.25Å; L313-I317 HydrophobicContact CG-CD1 4Å; L313-I317 WeakPolarHBondContact O-CG1 3.44Å; L313-I317 PolarHBondContact O-N 3.47Å; L313-V335 HydrophobicContact CD1-CG1 4.42Å; L313-V335 HydrophobicContact CD2-CG1 4.26Å
314	D	98.1	Very high	98	Very high	86 Å²	86	44 Å²	44	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-66.1	-40	-177.6	-66.3	-21.6	0	0	0	111.7	N312 V316 I317 E318 R339	N312-D314 VanDerWaalsContact C-N 3.31Å; N312-D314 PolarHBondContact O-N 3.35Å; N312-D314 WeakPolarHBondContact OD1-CB 3.22Å; N312-D314 PolarHBondContact OD1-N 2.99Å; D314-V316 VanDerWaalsContact C-N 3.35Å; D314-I317 PolarHBondContact O-N 3.45Å; D314-E318 PolarHBondContact O-N 3.43Å; D314-R339 IonicContact OD1-CZ 2.66Å; D314-R339 IonicContact OD1-NH1 3.18Å; D314-R339 PolarHBondContact OD1-NH1 2.82Å; D314-R339 IonicContact OD1-NH2 3.67Å; D314-R339 PolarHBondContact OD1-NH2 2.92Å; D314-R339 IonicContact OD2-NH2 3.65Å
315	K	98.5	Very high	97.9	Very high	82 Å²	82	46.7 Å²	46.7	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-67.9	-34.5	174.6	-68	-172.1	176.1	-167.8	0	112.6	T82 T83 N312 L313 E318 T319	T82-K315 VanDerWaalsContact O-CD 3.27Å; T82-K315 WeakPolarHBondContact O-CD 3.4Å; T82-K315 PolarHBondContact O-NZ 3.45Å; T83-K315 HydrophobicContact CG2-CB 3.88Å; N312-K315 HydrophobicContact CB-CB 4.3Å; N312-K315 HydrophobicContact CB-CD 4.26Å; N312-K315 HydrophobicContact CB-CG 4.24Å; N312-K315 PolarHBondContact O-N 2.98Å; N312-K315 PolarHBondContact OD1-N 3.37Å; L313-K315 PolarHBondContact O-N 3.48Å; K315-E318 PolarHBondContact O-N 2.97Å; K315-T319 WeakPolarHBondContact O-CB 3.24Å; K315-T319 PolarHBondContact O-N 2.99Å; K315-T319 PolarHBondContact O-OG1 3.08Å
316	V	98.7	Very high	97.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.8	-43.2	174.6	179.6	0	0	0	0	110	T83 V277 T295 E296 L299 V311 N312 L313 D314 E318 T319 G320	T83-V316 HydrophobicContact CG2-CG2 3.8Å; V277-V316 HydrophobicContact CG2-CG1 3.93Å; T295-V316 HydrophobicContact CG2-CG1 4.05Å; E296-V316 HydrophobicContact CG-CG1 3.85Å; L299-V316 HydrophobicContact CD1-CB 4.34Å; L299-V316 HydrophobicContact CD1-CG1 4.49Å; L299-V316 HydrophobicContact CD1-CG2 3.9Å; V311-V316 HydrophobicContact CG1-CG2 3.6Å; N312-V316 WeakPolarHBondContact O-CG2 3.45Å; N312-V316 PolarHBondContact O-N 3.12Å; L313-V316 PolarHBondContact O-N 3.45Å; D314-V316 VanDerWaalsContact C-N 3.35Å; V316-E318 PolarHBondContact O-N 2.78Å; V316-T319 WeakPolarHBondContact O-CB 3.5Å; V316-T319 PolarHBondContact O-N 3.3Å; V316-G320 PolarHBondContact O-N 2.82Å
317	I	98.4	Very high	97.7	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.082	25%	0.245	C	C	.	.	H	α-helix	trans	-59.5	-47.3	174.9	-67.9	165.6	0	0	0	111	E296 L313 D314 T319 G320 D321 V335 A336	E296-I317 HydrophobicContact CG-CG1 3.87Å; L313-I317 HydrophobicContact CD1-CD1 4.15Å; L313-I317 HydrophobicContact CD1-CG1 4.25Å; L313-I317 HydrophobicContact CG-CD1 4Å; L313-I317 WeakPolarHBondContact O-CG1 3.44Å; L313-I317 PolarHBondContact O-N 3.47Å; D314-I317 PolarHBondContact O-N 3.45Å; I317-T319 VanDerWaalsContact C-N 3.28Å; I317-T319 PolarHBondContact O-N 3.42Å; I317-G320 PolarHBondContact O-N 3.21Å; I317-G320 VanDerWaalsContact O-N 3.15Å; I317-D321 PolarHBondContact O-N 3.34Å; I317-V335 HydrophobicContact CD1-CG1 4.18Å; I317-A336 HydrophobicContact CG1-CB 4.45Å; I317-A336 HydrophobicContact CG2-CB 4.27Å
318	E	98.3	Very high	97.5	Very high	122 Å²	122	47.3 Å²	47.3	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-58	-41.8	176.2	-179.8	-177.1	177	0	0	112	M79 D314 K315 V316 D321 F322	M79-E318 HydrophobicContact CE-CG 4.16Å; D314-E318 PolarHBondContact O-N 3.43Å; K315-E318 PolarHBondContact O-N 2.97Å; V316-E318 PolarHBondContact O-N 2.78Å; E318-D321 PolarHBondContact O-N 3.28Å; E318-F322 PolarHBondContact O-N 3.22Å
319	T	98.5	Very high	97.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-39.1	177.4	-54	0	0	0	0	111.7	L76 M79 L80 K315 V316 I317 F322 I323	L76-T319 HydrophobicContact CD1-CG2 3.59Å; M79-T319 HydrophobicContact CB-CG2 3.7Å; L80-T319 HydrophobicContact CD2-CG2 3.69Å; L80-T319 HydrophobicContact CG-CG2 3.73Å; K315-T319 WeakPolarHBondContact O-CB 3.24Å; K315-T319 PolarHBondContact O-N 2.99Å; K315-T319 PolarHBondContact O-OG1 3.08Å; V316-T319 WeakPolarHBondContact O-CB 3.5Å; V316-T319 PolarHBondContact O-N 3.3Å; I317-T319 VanDerWaalsContact C-N 3.28Å; I317-T319 PolarHBondContact O-N 3.42Å; T319-F322 WeakPolarHBondContact O-CB 3.44Å; T319-F322 PolarHBondContact O-N 3.02Å; T319-I323 WeakPolarHBondContact O-CG2 3.23Å; T319-I323 PolarHBondContact O-N 3.36Å; T319-I323 VanDerWaalsContact O-N 3.15Å
320	G	98	Very high	96.9	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-45.3	172.4	0	0	0	0	0	112.6	V316 I317 F322 I323 C324	V316-G320 PolarHBondContact O-N 2.82Å; I317-G320 PolarHBondContact O-N 3.21Å; I317-G320 VanDerWaalsContact O-N 3.15Å; G320-F322 VanDerWaalsContact C-N 3.34Å; G320-F322 PolarHBondContact O-N 3.38Å; G320-I323 VanDerWaalsContact O-CG2 3.3Å; G320-I323 WeakPolarHBondContact O-CG2 3.44Å; G320-I323 PolarHBondContact O-N 3.04Å; G320-C324 VanDerWaalsContact O-CB 3.24Å; G320-C324 WeakPolarHBondContact O-CB 3.45Å; G320-C324 PolarHBondContact O-N 3.44Å; G320-C324 PolarHBondContact O-SG 2.74Å
321	D	97.8	Very high	96.8	Very high	57 Å²	57	51.8 Å²	51.8	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-42.8	175.7	-75.3	-19.9	0	0	0	111.3	I317 E318 N325	I317-D321 PolarHBondContact O-N 3.34Å; E318-D321 PolarHBondContact O-N 3.28Å; D321-N325 VanDerWaalsContact O-CB 3.28Å; D321-N325 WeakPolarHBondContact O-CB 3.38Å; D321-N325 PolarHBondContact O-N 3.09Å; D321-N325 PolarHBondContact O-ND2 3.35Å
322	F	98.4	Very high	96.6	Very high	42 Å²	42	54.6 Å²	54.6	18%	0.184	29%	0.286	C	S	.	.	H	α-helix	trans	-55.7	-53	175.6	163.5	-100.9	0	0	0	112.2	V72 Q75 L76 M79 E318 T319 G320 N325 A326	V72-F322 HydrophobicContact CG1-CE1 3.98Å; V72-F322 HydrophobicContact CG1-CZ 3.82Å; Q75-F322 HydrophobicContact CB-CE1 4.17Å; Q75-F322 HydrophobicContact CB-CZ 3.81Å; Q75-F322 HydrophobicContact CG-CE1 3.99Å; Q75-F322 HydrophobicContact CG-CE2 4.06Å; Q75-F322 HydrophobicContact CG-CZ 3.56Å; L76-F322 HydrophobicContact CB-CE1 4.19Å; M79-F322 HydrophobicContact CE-CB 3.97Å; M79-F322 HydrophobicContact CE-CG 4.35Å; M79-F322 HydrophobicContact SD-CB 3.98Å; M79-F322 HydrophobicContact SD-CD1 3.73Å; M79-F322 HydrophobicContact SD-CD2 4.22Å; M79-F322 HydrophobicContact SD-CE1 4.29Å; M79-F322 HydrophobicContact SD-CG 3.69Å; E318-F322 PolarHBondContact O-N 3.22Å; T319-F322 WeakPolarHBondContact O-CB 3.44Å; T319-F322 PolarHBondContact O-N 3.02Å; G320-F322 VanDerWaalsContact C-N 3.34Å; G320-F322 PolarHBondContact O-N 3.38Å; F322-N325 PolarHBondContact O-N 3.12Å; F322-A326 PolarHBondContact O-N 3.01Å
323	I	97.5	Very high	96.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-72.6	-36.5	-176	-171	58.8	0	0	0	112.3	L61 V68 V72 L76 V277 L280 T319 G320 N325 A326 L327	L61-I323 HydrophobicContact CD2-CD1 4.19Å; L61-I323 HydrophobicContact CD2-CG1 4.28Å; V68-I323 HydrophobicContact CG1-CD1 4.25Å; V68-I323 HydrophobicContact CG2-CD1 4.48Å; V72-I323 HydrophobicContact CG1-CD1 3.95Å; L76-I323 HydrophobicContact CD1-CB 4.04Å; L76-I323 HydrophobicContact CD1-CG1 4.42Å; L76-I323 HydrophobicContact CD1-CG2 4.21Å; L76-I323 HydrophobicContact CD2-CD1 4.12Å; L76-I323 HydrophobicContact CD2-CG1 4.05Å; V277-I323 HydrophobicContact CG1-CG2 4.46Å; L280-I323 HydrophobicContact CD1-CG1 4.09Å; L280-I323 HydrophobicContact CD1-CG2 4.05Å; L280-I323 HydrophobicContact CD2-CG1 4.2Å; T319-I323 WeakPolarHBondContact O-CG2 3.23Å; T319-I323 PolarHBondContact O-N 3.36Å; T319-I323 VanDerWaalsContact O-N 3.15Å; G320-I323 VanDerWaalsContact O-CG2 3.3Å; G320-I323 WeakPolarHBondContact O-CG2 3.44Å; G320-I323 PolarHBondContact O-N 3.04Å; I323-N325 VanDerWaalsContact C-N 3.33Å; I323-N325 PolarHBondContact O-N 3.24Å; I323-A326 HydrophobicContact CD1-CB 4.49Å; I323-A326 PolarHBondContact O-N 3.1Å; I323-L327 HydrophobicContact CD1-CD1 4.43Å; I323-L327 HydrophobicContact CD1-CG 4.5Å; I323-L327 HydrophobicContact CG1-CD1 4.03Å; I323-L327 WeakPolarHBondContact O-CB 3.32Å; I323-L327 WeakPolarHBondContact O-CG 3.33Å; I323-L327 PolarHBondContact O-N 2.76Å
324	C	96.1	Very high	96.5	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.027	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-41.9	173.1	-81.9	0	0	0	0	112	A278 G320 L327 G328 R329 T331	A278-C324 VanDerWaalsContact CB-SG 3.57Å; G320-C324 VanDerWaalsContact O-CB 3.24Å; G320-C324 WeakPolarHBondContact O-CB 3.45Å; G320-C324 PolarHBondContact O-N 3.44Å; G320-C324 PolarHBondContact O-SG 2.74Å; C324-L327 CarbonylContact O-C 3.52Å; C324-L327 PolarHBondContact O-N 3.47Å; C324-G328 PolarHBondContact O-N 3Å; C324-R329 CarbonylContact C-O 3.58Å; C324-R329 VanDerWaalsContact CB-O 3.3Å; C324-R329 WeakPolarHBondContact CB-O 3.5Å; C324-R329 PolarHBondContact O-N 3.31Å; C324-T331 VanDerWaalsContact SG-CA 3.54Å
325	N	95.9	Very high	96.5	Very high	129 Å²	129	53.4 Å²	53.4	69%	0.69	27%	0.274	S	S	*	.	H	α-helix	trans	-63.1	-42.1	174.1	-75.2	-34.8	0	0	0	111.9	D321 F322 I323 L327 G328	D321-N325 VanDerWaalsContact O-CB 3.28Å; D321-N325 WeakPolarHBondContact O-CB 3.38Å; D321-N325 PolarHBondContact O-N 3.09Å; D321-N325 PolarHBondContact O-ND2 3.35Å; F322-N325 PolarHBondContact O-N 3.12Å; I323-N325 VanDerWaalsContact C-N 3.33Å; I323-N325 PolarHBondContact O-N 3.24Å; N325-L327 VanDerWaalsContact C-N 3.3Å; N325-L327 PolarHBondContact O-N 3.12Å; N325-G328 PolarHBondContact O-N 3.11Å
326	A	96	Very high	96.4	Very high	53 Å²	53	49.6 Å²	49.6	44%	0.438	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-32.8	177.2	0	0	0	0	0	113.1	V72 F322 I323	V72-A326 HydrophobicContact CG1-CB 3.67Å; F322-A326 PolarHBondContact O-N 3.01Å; I323-A326 HydrophobicContact CD1-CB 4.49Å; I323-A326 PolarHBondContact O-N 3.1Å
327	L	93.9	Very high	96.3	Very high	21 Å²	21	54 Å²	54	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-83	-9.7	175.4	-76.2	168.2	0	0	0	113.7	L61 E64 E66 V68 L280 I323 C324 N325 R329	L61-L327 HydrophobicContact CD2-CD1 4.28Å; E64-L327 HydrophobicContact CB-CD2 4.25Å; E64-L327 HydrophobicContact CG-CD1 4.09Å; E64-L327 HydrophobicContact CG-CD2 4.26Å; E66-L327 HydrophobicContact CB-CD2 4.39Å; V68-L327 HydrophobicContact CG2-CD2 3.33Å; V68-L327 HydrophobicContact CG2-CG 3.97Å; L280-L327 HydrophobicContact CD2-CD1 3.42Å; L280-L327 VanDerWaalsContact CD2-CD1 3.42Å; I323-L327 HydrophobicContact CD1-CD1 4.43Å; I323-L327 HydrophobicContact CD1-CG 4.5Å; I323-L327 HydrophobicContact CG1-CD1 4.03Å; I323-L327 WeakPolarHBondContact O-CB 3.32Å; I323-L327 WeakPolarHBondContact O-CG 3.33Å; I323-L327 PolarHBondContact O-N 2.76Å; C324-L327 CarbonylContact O-C 3.52Å; C324-L327 PolarHBondContact O-N 3.47Å; N325-L327 VanDerWaalsContact C-N 3.3Å; N325-L327 PolarHBondContact O-N 3.12Å; L327-R329 HydrophobicContact CB-CG 3.91Å; L327-R329 PolarHBondContact O-N 2.91Å
328	G	93.4	Very high	96.2	Very high	73 Å²	73	57.5 Å²	57.5	75%	0.753	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	29.3	-174.3	0	0	0	0	0	113.6	C324 N325	C324-G328 PolarHBondContact O-N 3Å; N325-G328 PolarHBondContact O-N 3.11Å
329	R	91.3	Very high	95.8	Very high	53 Å²	53	57 Å²	57	20%	0.2	30%	0.302	C	S	.	.			trans	-124.4	160.1	-179.2	76.2	177.1	-169.1	74	3.1	112	E64 L280 C324 L327	E64-R329 IonicContact OE1-CZ 3.1Å; E64-R329 IonicContact OE1-NE 2.78Å; E64-R329 PolarHBondContact OE1-NE 3.18Å; E64-R329 IonicContact OE1-NH2 2.67Å; E64-R329 PolarHBondContact OE1-NH2 2.98Å; E64-R329 IonicContact OE2-NE 2.72Å; L280-R329 VanDerWaalsContact CA-NH2 3.31Å; C324-R329 CarbonylContact C-O 3.58Å; C324-R329 VanDerWaalsContact CB-O 3.3Å; C324-R329 WeakPolarHBondContact CB-O 3.5Å; C324-R329 PolarHBondContact O-N 3.31Å; L327-R329 HydrophobicContact CB-CG 3.91Å; L327-R329 PolarHBondContact O-N 2.91Å
330	R	92.8	Very high	94.6	Very high	229 Å²	229	59.4 Å²	59.4	86%	0.864	32%	0.319	S	S	*	.			trans	-78.8	150.8	171.5	-65.1	-175	179.7	-171.7	-1.8	110.6
331	T	94.7	Very high	92.7	Very high	15 Å²	15	71.6 Å²	71.6	9%	0.092	37%	0.365	C	S	.	.			trans	-64.2	142.9	171.5	-178.5	0	0	0	0	111.5	A278 C324 S333 A336 Q337	A278-T331 WeakPolarHBondContact CA-OG1 3.14Å; A278-T331 WeakPolarHBondContact CB-OG1 3.31Å; C324-T331 VanDerWaalsContact SG-CA 3.54Å; T331-S333 PolarHBondContact OG1-N 3.47Å; T331-S333 VanDerWaalsContact OG1-N 3.11Å; T331-A336 HydrophobicContact CG2-CB 3.74Å; T331-Q337 HydrophobicContact CG2-CG 3.99Å; T331-Q337 PolarHBondContact O-NE2 2.94Å
332	N	94.4	Very high	90.2	Very high	69 Å²	69	74.7 Å²	74.7	37%	0.369	39%	0.386	S	S	.	.			trans	-88.4	-11.8	170.8	-71.1	-31.8	0	0	0	112.3	A278 G279 K334	A278-N332 WeakPolarHBondContact O-CB 2.98Å; A278-N332 PolarHBondContact O-N 3.37Å; G279-N332 PolarHBondContact O-ND2 3.28Å; N332-K334 PolarHBondContact O-N 2.8Å
333	S	97.3	Very high	87.2	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	44%	0.439	C	S	.	.			trans	-65.7	125.9	174.6	164.9	0	0	0	0	110.8	S294 E296 D297 T331 V335 A336 Q337	S294-S333 WeakPolarHBondContact OG-CA 3.2Å; S294-S333 WeakPolarHBondContact OG-CB 3.24Å; E296-S333 VanDerWaalsContact CB-OG 3.24Å; E296-S333 WeakPolarHBondContact CB-OG 3.43Å; D297-S333 PolarHBondContact OD1-OG 2.96Å; T331-S333 PolarHBondContact OG1-N 3.47Å; T331-S333 VanDerWaalsContact OG1-N 3.11Å; S333-V335 PolarHBondContact OG-N 2.62Å; S333-A336 PolarHBondContact OG-N 3.12Å; S333-Q337 VanDerWaalsContact O-CG 3.24Å; S333-Q337 WeakPolarHBondContact O-CG 3.1Å; S333-Q337 PolarHBondContact O-N 3.18Å; S333-Q337 VanDerWaalsContact O-N 3.09Å
334	K	97.8	Very high	86.6	Confident	140 Å²	140	88.7 Å²	88.7	61%	0.609	46%	0.461	S	S	*	.	H	α-helix	trans	-70	-36.1	174.8	-61.2	-61.9	-178.1	166.1	0	111.6	D297 N332 Q337 A338	D297-K334 PolarHBondContact OD1-N 3.07Å; D297-K334 PolarHBondContact OD2-N 2.92Å; N332-K334 PolarHBondContact O-N 2.8Å; K334-Q337 PolarHBondContact O-N 3.31Å; K334-A338 WeakPolarHBondContact O-CB 3.36Å; K334-A338 PolarHBondContact O-N 2.58Å
335	V	98	Very high	86.1	Confident	15 Å²	15	93.1 Å²	93.1	9%	0.091	48%	0.483	C	S	.	.	H	α-helix	trans	-63.2	-48.5	175.4	173.3	0	0	0	0	110.6	E296 D297 Y300 L313 I317 S333 Q337 A338 R339	E296-V335 HydrophobicContact CB-CB 4.33Å; D297-V335 WeakPolarHBondContact OD1-CB 3.36Å; D297-V335 WeakPolarHBondContact OD1-CG2 3.39Å; D297-V335 PolarHBondContact OD1-N 3.33Å; Y300-V335 VanDerWaalsContact CB-CG2 3.47Å; Y300-V335 HydrophobicContact CD1-CG2 4.15Å; Y300-V335 HydrophobicContact CD2-CG1 4.12Å; Y300-V335 HydrophobicContact CD2-CG2 3.87Å; Y300-V335 HydrophobicContact CG-CG2 3.56Å; L313-V335 HydrophobicContact CD1-CG1 4.42Å; L313-V335 HydrophobicContact CD2-CG1 4.26Å; I317-V335 HydrophobicContact CD1-CG1 4.18Å; S333-V335 PolarHBondContact OG-N 2.62Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 2.81Å; V335-A338 PolarHBondContact O-N 3.26Å; V335-R339 HydrophobicContact CG1-CG 4.4Å; V335-R339 WeakPolarHBondContact O-CB 3.38Å; V335-R339 VanDerWaalsContact O-CG 3.27Å; V335-R339 WeakPolarHBondContact O-CG 3.29Å; V335-R339 PolarHBondContact O-N 3.45Å
336	A	97.1	Very high	85.6	Confident	1 Å²	1	91.1 Å²	91.1	1%	0.008	47%	0.472	C	S	.	.	H	α-helix	trans	-61.6	-42.6	177.5	0	0	0	0	0	111.4	I317 T331 S333 A338 R339 S340	I317-A336 HydrophobicContact CG1-CB 4.45Å; I317-A336 HydrophobicContact CG2-CB 4.27Å; T331-A336 HydrophobicContact CG2-CB 3.74Å; S333-A336 PolarHBondContact OG-N 3.12Å; A336-A338 PolarHBondContact O-N 3.27Å; A336-R339 PolarHBondContact O-N 2.95Å; A336-S340 VanDerWaalsContact O-CB 3.3Å; A336-S340 WeakPolarHBondContact O-CB 3.48Å; A336-S340 PolarHBondContact O-N 3.36Å
337	Q	96.6	Very high	85	Confident	94 Å²	94	93.4 Å²	93.4	44%	0.439	47%	0.474	S	S	.	.	H	α-helix	trans	-58.4	-44.6	174.6	-72.7	167.8	21.3	0	0	112.6	T331 S333 K334 V335 R339	T331-Q337 HydrophobicContact CG2-CG 3.99Å; T331-Q337 PolarHBondContact O-NE2 2.94Å; S333-Q337 VanDerWaalsContact O-CG 3.24Å; S333-Q337 WeakPolarHBondContact O-CG 3.1Å; S333-Q337 PolarHBondContact O-N 3.18Å; S333-Q337 VanDerWaalsContact O-N 3.09Å; K334-Q337 PolarHBondContact O-N 3.31Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 2.81Å; Q337-R339 VanDerWaalsContact C-N 3.34Å
338	A	96.6	Very high	84.4	Confident	88 Å²	88	97.9 Å²	97.9	73%	0.727	50%	0.497	S	S	*	.	H	α-helix	trans	-73	-26.2	-179	0	0	0	0	0	113.4	K334 V335 A336	K334-A338 WeakPolarHBondContact O-CB 3.36Å; K334-A338 PolarHBondContact O-N 2.58Å; V335-A338 PolarHBondContact O-N 3.26Å; A336-A338 PolarHBondContact O-N 3.27Å
339	R	90.4	Very high	83.8	Confident	113 Å²	113	99.5 Å²	99.5	43%	0.426	48%	0.48	S	S	.	.	H	α-helix	trans	-98.7	-13.5	-177.7	-63.9	-174.9	73.8	-158.8	-3.4	113.6	D314 V335 A336 Q337 R341	D314-R339 IonicContact OD1-CZ 2.66Å; D314-R339 IonicContact OD1-NH1 3.18Å; D314-R339 PolarHBondContact OD1-NH1 2.82Å; D314-R339 IonicContact OD1-NH2 3.67Å; D314-R339 PolarHBondContact OD1-NH2 2.92Å; D314-R339 IonicContact OD2-NH2 3.65Å; V335-R339 HydrophobicContact CG1-CG 4.4Å; V335-R339 WeakPolarHBondContact O-CB 3.38Å; V335-R339 VanDerWaalsContact O-CG 3.27Å; V335-R339 WeakPolarHBondContact O-CG 3.29Å; V335-R339 PolarHBondContact O-N 3.45Å; A336-R339 PolarHBondContact O-N 2.95Å; Q337-R339 VanDerWaalsContact C-N 3.34Å; R339-R341 PolarHBondContact O-N 3.03Å
340	S	73.4	Confident	83.3	Confident	52 Å²	52	102.9 Å²	102.9	36%	0.364	50%	0.5	S	S	.	.			trans	-62.9	126.4	176.1	-166.3	0	0	0	0	109.6	A336 T342	A336-S340 VanDerWaalsContact O-CB 3.3Å; A336-S340 WeakPolarHBondContact O-CB 3.48Å; A336-S340 PolarHBondContact O-N 3.36Å; S340-T342 PolarHBondContact O-N 3.31Å; S340-T342 VanDerWaalsContact O-N 3.13Å
341	R	57.4	Low	82.6	Confident	255 Å²	255	93.2 Å²	93.2	96%	0.962	47%	0.471	S	S	*	.			trans	-79.1	14.9	-176.2	-68.8	-176.4	177.1	176.7	0.5	113.6	R339	R339-R341 PolarHBondContact O-N 3.03Å
342	T	44.8	Very low	81.6	Confident	122 Å²	122	99.7 Å²	99.7	75%	0.748	50%	0.503	S	S	*	.			trans	-108.5	96.9	-175.1	-22.3	0	0	0	0	109.4	S340	S340-T342 PolarHBondContact O-N 3.31Å; S340-T342 VanDerWaalsContact O-N 3.13Å
343	L	34.9	Very low	80.4	Confident	247 Å²	247	102.5 Å²	102.5	100%	1.293	52%	0.515	S	S	*	.			trans	-85.9	0	162.3	-86.6	167.9	0	0	0	110.1

Retrieved 343 of 343 residues in 237 ms (Link to these results)

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