A0A096M3D7_POEFO Loading...

5'-AMP-activated protein kinase subunit gamma-1

AlphaFold DB (M3ZIH8), UniProt , Accession A0A096M3D7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 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	39.3	Very low	34.9	Very low	246 Å²	246	155.9 Å²	155.9	100%	1.212	86%	0.858	S	S	*	*				0	109.2	0	-117.1	166.7	177.1	0	0	105.9
2	E	29.5	Very low	34.9	Very low	187 Å²	187	157.3 Å²	157.3	87%	0.874	85%	0.854	S	S	*	*			trans	-81.1	148.8	-157.4	-69.1	163	142.4	0	0	112.4
3	C	32.7	Very low	35.4	Very low	130 Å²	130	151.4 Å²	151.4	88%	0.878	85%	0.852	S	S	*	*			trans	-80.6	135.3	166.4	-66.6	0	0	0	0	109.1
4	I	34.1	Very low	35.5	Very low	154 Å²	154	154.9 Å²	154.9	79%	0.79	85%	0.854	S	S	*	*			trans	-127.4	127.3	165.7	-57.7	178.6	0	0	0	107.5
5	P	36.1	Very low	35.9	Very low	112 Å²	112	153.2 Å²	153.2	73%	0.727	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-84.9	149.7	-178.2	33.9	-31.8	0	0	0	111.6
6	V	32.8	Very low	36.1	Very low	147 Å²	147	150.1 Å²	150.1	89%	0.891	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.9	121.3	166.1	-179.2	0	0	0	0	107.9
7	S	32	Very low	36.7	Very low	104 Å²	104	146.5 Å²	146.5	73%	0.727	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-62.3	136.3	-177	-41.8	0	0	0	0	112.3
8	I	42.4	Very low	37.4	Very low	159 Å²	159	144.6 Å²	144.6	82%	0.815	79%	0.79	S	S	*	*			trans	-78.8	107.9	157.9	-65.3	163.5	0	0	0	105.2
9	D	37.1	Very low	38.1	Very low	147 Å²	147	141.6 Å²	141.6	79%	0.786	77%	0.772	S	S	*	*			trans	-168.8	154.3	154.1	-90.8	-29	0	0	0	108.6
10	D	31.2	Very low	38.6	Very low	148 Å²	148	138.6 Å²	138.6	79%	0.791	75%	0.752	S	S	*	*			trans	85.8	48.3	-173.3	-53.8	-16.4	0	0	0	116.8	E12	D10-E12 PolarHBondContact O-N 3.36Å
11	L	36.4	Very low	39.1	Very low	181 Å²	181	139 Å²	139	95%	0.948	75%	0.749	S	S	*	*			trans	-88.2	63.2	144.6	-87.8	154.7	0	0	0	109
12	E	35.4	Very low	39.7	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.804	73%	0.727	S	S	*	*			trans	-89.2	115.3	160.2	-83	-167.9	159.1	0	0	108.7	D10 K14	D10-E12 PolarHBondContact O-N 3.36Å; E12-K14 PolarHBondContact O-N 2.72Å
13	G	41.2	Very low	40.8	Very low	81 Å²	81	130.3 Å²	130.3	84%	0.835	70%	0.697	S	S	*	*			trans	-62.9	94.1	-176.7	0	0	0	0	0	112.5	K15	G13-K15 PolarHBondContact O-N 2.6Å
14	K	37.3	Very low	42	Very low	201 Å²	201	126.7 Å²	126.7	87%	0.874	67%	0.668	S	S	*	*			trans	-74.4	107.8	153	-78.7	-178.7	176.3	172.7	0	107.6	E12 D16	E12-K14 PolarHBondContact O-N 2.72Å; K14-D16 PolarHBondContact O-N 2.93Å
15	K	40.6	Very low	43.7	Very low	129 Å²	129	122.5 Å²	122.5	56%	0.561	65%	0.647	S	S	*	*			trans	-59.4	134.5	168	-77.3	-178.6	175.4	-178.6	0	108.8	G13 E20	G13-K15 PolarHBondContact O-N 2.6Å; K15-E20 HydrophobicContact CB-CG 4.33Å; K15-E20 HydrophobicContact CD-CG 4.45Å; K15-E20 WeakPolarHBondContact CD-OE1 3.33Å
16	D	39.3	Very low	46	Very low	104 Å²	104	118.3 Å²	118.3	56%	0.556	62%	0.619	S	S	*	*			trans	-59.7	124	174.6	-94.4	-42.3	0	0	0	109.6	K14 I18 I19 E20	K14-D16 PolarHBondContact O-N 2.93Å; D16-I18 PolarHBondContact O-N 3.16Å; D16-I18 VanDerWaalsContact O-N 3.08Å; D16-I19 HydrophobicContact CB-CB 4.48Å; D16-I19 HydrophobicContact CB-CD1 3.92Å; D16-I19 HydrophobicContact CB-CG1 3.94Å; D16-I19 PolarHBondContact O-N 2.87Å; D16-E20 PolarHBondContact O-N 3.27Å
17	P	47.2	Very low	48.4	Very low	89 Å²	89	111.5 Å²	111.5	58%	0.578	58%	0.578	S	S	*	*	H	α-helix	trans	-60.8	-24.2	-177.4	20.2	-30.3	0	0	0	113.1	I19 E20 E21	P17-I19 VanDerWaalsContact C-N 3.31Å; P17-I19 PolarHBondContact O-N 2.86Å; P17-E20 PolarHBondContact O-N 3.2Å; P17-E21 PolarHBondContact O-N 3.36Å; P17-E21 VanDerWaalsContact O-N 3.11Å
18	I	49.4	Very low	51.1	Low	111 Å²	111	106.6 Å²	106.6	57%	0.569	54%	0.543	S	S	*	.	H	α-helix	trans	-69.7	-28.1	176.7	-57.8	169.6	0	0	0	111.8	D16 R22	D16-I18 PolarHBondContact O-N 3.16Å; D16-I18 VanDerWaalsContact O-N 3.08Å; I18-R22 WeakPolarHBondContact O-CG 3.42Å; I18-R22 PolarHBondContact O-N 2.78Å
19	I	50.5	Low	53.3	Low	88 Å²	88	108 Å²	108	45%	0.451	54%	0.538	S	S	.	.	H	α-helix	trans	-80.4	-39.5	178.1	-59.2	178.9	0	0	0	109.7	D16 P17 R22 E23	D16-I19 HydrophobicContact CB-CB 4.48Å; D16-I19 HydrophobicContact CB-CD1 3.92Å; D16-I19 HydrophobicContact CB-CG1 3.94Å; D16-I19 PolarHBondContact O-N 2.87Å; P17-I19 VanDerWaalsContact C-N 3.31Å; P17-I19 PolarHBondContact O-N 2.86Å; I19-R22 PolarHBondContact O-N 3.09Å; I19-E23 PolarHBondContact O-N 2.9Å
20	E	47.6	Very low	55.8	Low	81 Å²	81	102.1 Å²	102.1	38%	0.379	51%	0.506	S	S	.	.	H	α-helix	trans	-61.6	-45.5	174.9	-69.8	-174.9	161.5	0	0	111.6	K15 D16 P17 R22 E23 Q24	K15-E20 HydrophobicContact CB-CG 4.33Å; K15-E20 HydrophobicContact CD-CG 4.45Å; K15-E20 WeakPolarHBondContact CD-OE1 3.33Å; D16-E20 PolarHBondContact O-N 3.27Å; P17-E20 PolarHBondContact O-N 3.2Å; E20-R22 VanDerWaalsContact C-N 3.29Å; E20-R22 PolarHBondContact O-N 2.97Å; E20-E23 PolarHBondContact O-N 3Å; E20-Q24 WeakPolarHBondContact O-CB 3.44Å; E20-Q24 PolarHBondContact O-N 3.09Å; E20-Q24 PolarHBondContact O-OE1 2.8Å
21	E	48.1	Very low	58.7	Low	147 Å²	147	95 Å²	95	69%	0.687	47%	0.468	S	S	*	.	H	α-helix	trans	-59.3	-36.4	173	-94	-172.6	149.5	0	0	113.4	P17 N25	P17-E21 PolarHBondContact O-N 3.36Å; P17-E21 VanDerWaalsContact O-N 3.11Å; E21-N25 WeakPolarHBondContact O-CB 3.12Å; E21-N25 PolarHBondContact O-N 3.23Å
22	R	52	Low	61.4	Low	195 Å²	195	91.1 Å²	91.1	74%	0.736	44%	0.443	S	S	*	.	H	α-helix	trans	-72	-34.3	179	-81.9	179.6	173.8	-163.5	0.5	112.8	I18 I19 E20	I18-R22 WeakPolarHBondContact O-CG 3.42Å; I18-R22 PolarHBondContact O-N 2.78Å; I19-R22 PolarHBondContact O-N 3.09Å; E20-R22 VanDerWaalsContact C-N 3.29Å; E20-R22 PolarHBondContact O-N 2.97Å
23	E	53.1	Low	64.2	Low	56 Å²	56	86.9 Å²	86.9	26%	0.262	43%	0.432	S	S	.	.	H	α-helix	trans	-76.7	-38.6	177	-73.4	-176.7	-177.2	0	0	112.2	I19 E20 N25 V26 A184 S185	I19-E23 PolarHBondContact O-N 2.9Å; E20-E23 PolarHBondContact O-N 3Å; E23-N25 PolarHBondContact O-N 3.1Å; E23-V26 WeakPolarHBondContact O-CG2 3.24Å; E23-V26 PolarHBondContact O-N 3Å; E23-A184 WeakPolarHBondContact O-CB 3.4Å; E23-S185 VanDerWaalsContact OE2-CB 3.27Å; E23-S185 WeakPolarHBondContact OE2-CB 3.46Å; E23-S185 PolarHBondContact OE2-N 3.32Å; E23-S185 PolarHBondContact OE2-OG 3.25Å
24	Q	57.4	Low	66.8	Low	54 Å²	54	85 Å²	85	25%	0.252	40%	0.402	S	S	.	.	H	α-helix	trans	-64.1	-27.3	177.9	-128.6	96.2	-8.8	0	0	112.6	E20 F186 T323	E20-Q24 WeakPolarHBondContact O-CB 3.44Å; E20-Q24 PolarHBondContact O-N 3.09Å; E20-Q24 PolarHBondContact O-OE1 2.8Å; Q24-F186 HydrophobicContact CG-CD1 4.4Å; Q24-T323 VanDerWaalsContact CG-CB 3.43Å; Q24-T323 HydrophobicContact CG-CG2 3.61Å; Q24-T323 PolarHBondContact O-OG1 3.28Å
25	N	70.9	Confident	69.6	Low	67 Å²	67	81.8 Å²	81.8	36%	0.358	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.4	-177.9	-156.8	-43.5	0	0	0	113.6	E21 E23 Y27 T28 R29	E21-N25 WeakPolarHBondContact O-CB 3.12Å; E21-N25 PolarHBondContact O-N 3.23Å; E23-N25 PolarHBondContact O-N 3.1Å; N25-Y27 PolarHBondContact O-N 3.5Å; N25-T28 PolarHBondContact O-N 2.92Å; N25-R29 WeakPolarHBondContact O-CB 2.8Å; N25-R29 PolarHBondContact O-N 2.85Å
26	V	83.6	Confident	72.4	Confident	24 Å²	24	75.7 Å²	75.7	15%	0.145	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-46.3	-172.4	177.4	0	0	0	0	111.8	E23 F30 M181	E23-V26 WeakPolarHBondContact O-CG2 3.24Å; E23-V26 PolarHBondContact O-N 3Å; V26-F30 VanDerWaalsContact O-CB 3.25Å; V26-F30 WeakPolarHBondContact O-CB 3.28Å; V26-F30 PolarHBondContact O-N 3.14Å; V26-M181 HydrophobicContact CG1-CB 3.88Å; V26-M181 HydrophobicContact CG1-CG 4.18Å; V26-M181 HydrophobicContact CG1-SD 3.87Å
27	Y	84.9	Confident	75.1	Confident	4 Å²	4	77.3 Å²	77.3	2%	0.016	36%	0.357	C	S	.	.	H	α-helix	trans	-67.5	-45.3	178.6	-71.9	-82.2	0	0	0	112.6	N25 F30 M31 I178 A184 F186 L187 L320	N25-Y27 PolarHBondContact O-N 3.5Å; Y27-F30 PolarHBondContact O-N 3.19Å; Y27-M31 WeakPolarHBondContact O-CB 3.17Å; Y27-M31 WeakPolarHBondContact O-CE 3.5Å; Y27-M31 WeakPolarHBondContact O-CG 3.33Å; Y27-M31 PolarHBondContact O-N 3.11Å; Y27-I178 HydrophobicContact CE1-CD1 3.72Å; Y27-I178 HydrophobicContact CE1-CG1 3.57Å; Y27-I178 WeakPolarHBondContact OH-CD1 3.45Å; Y27-I178 WeakPolarHBondContact OH-CG1 3.22Å; Y27-A184 HydrophobicContact CD2-CB 4.42Å; Y27-A184 HydrophobicContact CE2-CB 3.92Å; Y27-F186 AromaticContact CD2-CE1 3.91Å; Y27-F186 HydrophobicContact CD2-CE1 3.91Å; Y27-F186 AromaticContact CD2-CZ 3.45Å; Y27-F186 HydrophobicContact CD2-CZ 3.45Å; Y27-F186 VanDerWaalsContact CD2-CZ 3.45Å; Y27-F186 HydrophobicContact CE2-CE1 4.03Å; Y27-F186 HydrophobicContact CE2-CE2 4.36Å; Y27-F186 AromaticContact CE2-CZ 3.49Å; Y27-F186 HydrophobicContact CE2-CZ 3.49Å; Y27-F186 VanDerWaalsContact CE2-CZ 3.49Å; Y27-F186 HydrophobicContact CG-CZ 4.5Å; Y27-L187 HydrophobicContact CE2-CD1 4.12Å; Y27-L187 HydrophobicContact CE2-CD2 4.19Å; Y27-L187 HydrophobicContact CE2-CG 4.3Å; Y27-L187 WeakPolarHBondContact OH-CD1 3.4Å; Y27-L187 WeakPolarHBondContact OH-CD2 3.32Å; Y27-L320 HydrophobicContact CD1-CD2 4.14Å; Y27-L320 HydrophobicContact CD2-CD2 4.13Å; Y27-L320 HydrophobicContact CE1-CD2 4.31Å; Y27-L320 HydrophobicContact CE2-CD2 4.3Å; Y27-L320 HydrophobicContact CG-CD2 4.02Å
28	T	87.5	Confident	77.4	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-48.3	176.7	-65.3	0	0	0	0	111.2	N25 F30 M31 K32 Y137	N25-T28 PolarHBondContact O-N 2.92Å; T28-F30 PolarHBondContact O-N 3.01Å; T28-M31 PolarHBondContact O-N 2.87Å; T28-K32 HydrophobicContact CG2-CD 3.87Å; T28-K32 VanDerWaalsContact CG2-CE 3.45Å; T28-K32 HydrophobicContact CG2-CG 4.47Å; T28-K32 VanDerWaalsContact CG2-NZ 3.28Å; T28-K32 WeakPolarHBondContact O-CB 3.46Å; T28-K32 VanDerWaalsContact O-CG 3.29Å; T28-K32 WeakPolarHBondContact O-CG 3.38Å; T28-K32 PolarHBondContact O-N 3.49Å; T28-Y137 HydrophobicContact CG2-CD2 3.86Å; T28-Y137 HydrophobicContact CG2-CE2 3.69Å
29	R	88.7	Confident	79.6	Confident	188 Å²	188	71.2 Å²	71.2	71%	0.709	32%	0.321	S	S	*	.	H	α-helix	trans	-62.1	-43.2	176.7	-175.3	175.1	176.6	173.8	-0.7	111.8	N25 K32 S33	N25-R29 WeakPolarHBondContact O-CB 2.8Å; N25-R29 PolarHBondContact O-N 2.85Å; R29-K32 PolarHBondContact O-N 2.99Å; R29-S33 WeakPolarHBondContact O-CB 3.3Å; R29-S33 PolarHBondContact O-N 3.23Å; R29-S33 PolarHBondContact O-OG 2.79Å
30	F	90.1	Very high	81.8	Confident	24 Å²	24	68.4 Å²	68.4	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-46	175.8	179.9	-89.7	0	0	0	111.4	V26 Y27 T28 K32 S33 H34 F173 L174 F177 M181	V26-F30 VanDerWaalsContact O-CB 3.25Å; V26-F30 WeakPolarHBondContact O-CB 3.28Å; V26-F30 PolarHBondContact O-N 3.14Å; Y27-F30 PolarHBondContact O-N 3.19Å; T28-F30 PolarHBondContact O-N 3.01Å; F30-K32 VanDerWaalsContact C-N 3.32Å; F30-K32 PolarHBondContact O-N 2.92Å; F30-S33 PolarHBondContact O-N 3.22Å; F30-S33 PolarHBondContact O-OG 2.92Å; F30-H34 AromaticContact CD1-ND1 3.84Å; F30-H34 AromaticContact CD2-CE1 3.4Å; F30-H34 VanDerWaalsContact CD2-CE1 3.4Å; F30-H34 WeakPolarHBondContact CD2-CE1 3.21Å; F30-H34 AromaticContact CD2-ND1 3.71Å; F30-H34 AromaticContact CE1-CE1 3.91Å; F30-H34 AromaticContact CE1-ND1 3.7Å; F30-H34 AromaticContact CE2-CE1 3.01Å; F30-H34 WeakPolarHBondContact CE2-CE1 3.22Å; F30-H34 AromaticContact CE2-ND1 3.59Å; F30-H34 AromaticContact CE2-NE2 3.67Å; F30-H34 AromaticContact CG-ND1 3.84Å; F30-H34 AromaticContact CZ-CE1 3.28Å; F30-H34 WeakPolarHBondContact CZ-CE1 3.09Å; F30-H34 AromaticContact CZ-ND1 3.58Å; F30-H34 AromaticContact CZ-NE2 3.66Å; F30-H34 PolarHBondContact O-N 3.3Å; F30-H34 PolarHBondContact O-ND1 2.89Å; F30-F173 HydrophobicContact CE1-CD1 4.08Å; F30-F173 AromaticContact CE1-CE1 3.66Å; F30-F173 HydrophobicContact CE1-CE1 3.66Å; F30-F173 HydrophobicContact CZ-CD1 4.49Å; F30-F173 AromaticContact CZ-CE1 3.81Å; F30-F173 HydrophobicContact CZ-CE1 3.81Å; F30-L174 HydrophobicContact CD1-CD2 3.68Å; F30-L174 HydrophobicContact CE1-CD2 3.79Å; F30-F177 HydrophobicContact CE1-CB 4.44Å; F30-F177 HydrophobicContact CE2-CB 3.75Å; F30-F177 HydrophobicContact CE2-CG 4.06Å; F30-F177 HydrophobicContact CZ-CB 3.54Å; F30-F177 HydrophobicContact CZ-CD1 4.41Å; F30-F177 AromaticContact CZ-CD2 3.75Å; F30-F177 HydrophobicContact CZ-CD2 3.75Å; F30-F177 AromaticContact CZ-CG 3.64Å; F30-F177 HydrophobicContact CZ-CG 3.64Å; F30-M181 HydrophobicContact CB-CE 4.1Å; F30-M181 HydrophobicContact CB-SD 3.84Å; F30-M181 HydrophobicContact CD1-CE 3.7Å; F30-M181 HydrophobicContact CD2-CE 3.11Å; F30-M181 HydrophobicContact CD2-SD 3.67Å; F30-M181 HydrophobicContact CE1-CE 3.83Å; F30-M181 HydrophobicContact CE2-CE 3.23Å; F30-M181 HydrophobicContact CE2-SD 4.35Å; F30-M181 HydrophobicContact CG-CE 3.35Å; F30-M181 HydrophobicContact CG-SD 3.77Å; F30-M181 HydrophobicContact CZ-CE 3.62Å
31	M	92.5	Very high	84	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-33.7	176.8	-73.4	-173.7	-72	0	0	112.6	Y27 T28 L136 Y137 V140 L174 V321	Y27-M31 WeakPolarHBondContact O-CB 3.17Å; Y27-M31 WeakPolarHBondContact O-CE 3.5Å; Y27-M31 WeakPolarHBondContact O-CG 3.33Å; Y27-M31 PolarHBondContact O-N 3.11Å; T28-M31 PolarHBondContact O-N 2.87Å; M31-L136 HydrophobicContact CB-CB 4.15Å; M31-L136 HydrophobicContact CG-CB 4.35Å; M31-L136 WeakPolarHBondContact O-CB 3.39Å; M31-L136 PolarHBondContact O-N 3.37Å; M31-Y137 PolarHBondContact O-N 3.16Å; M31-V140 HydrophobicContact SD-CG2 3.99Å; M31-L174 HydrophobicContact CG-CD2 3.86Å; M31-L174 HydrophobicContact SD-CD1 4.22Å; M31-L174 HydrophobicContact SD-CD2 4.44Å; M31-V321 HydrophobicContact CE-CG2 3.56Å; M31-V321 HydrophobicContact SD-CG2 4.25Å
32	K	93.5	Very high	86.3	Confident	99 Å²	99	67.1 Å²	67.1	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-70.7	-29.4	174.3	-74.8	173.2	-179.3	165	0	112.1	T28 R29 F30 Y137 D324	T28-K32 HydrophobicContact CG2-CD 3.87Å; T28-K32 VanDerWaalsContact CG2-CE 3.45Å; T28-K32 HydrophobicContact CG2-CG 4.47Å; T28-K32 VanDerWaalsContact CG2-NZ 3.28Å; T28-K32 WeakPolarHBondContact O-CB 3.46Å; T28-K32 VanDerWaalsContact O-CG 3.29Å; T28-K32 WeakPolarHBondContact O-CG 3.38Å; T28-K32 PolarHBondContact O-N 3.49Å; R29-K32 PolarHBondContact O-N 2.99Å; F30-K32 VanDerWaalsContact C-N 3.32Å; F30-K32 PolarHBondContact O-N 2.92Å; K32-Y137 HydrophobicContact CG-CD1 4.4Å; K32-Y137 HydrophobicContact CG-CD2 4.23Å; K32-Y137 HydrophobicContact CG-CG 3.87Å; K32-D324 IonicContact NZ-OD2 2.85Å; K32-D324 PolarHBondContact NZ-OD2 2.75Å
33	S	93	Very high	88.4	Confident	82 Å²	82	63.1 Å²	63.1	57%	0.573	32%	0.318	S	S	*	.	H	α-helix	trans	-85.6	-16.4	-179.8	72.1	0	0	0	0	114.6	R29 F30	R29-S33 WeakPolarHBondContact O-CB 3.3Å; R29-S33 PolarHBondContact O-N 3.23Å; R29-S33 PolarHBondContact O-OG 2.79Å; F30-S33 PolarHBondContact O-N 3.22Å; F30-S33 PolarHBondContact O-OG 2.92Å
34	H	95.1	Very high	90.3	Very high	43 Å²	43	63.1 Å²	63.1	20%	0.199	32%	0.324	C	S	.	.	S	Bend	trans	-103.7	146	179.3	-70.9	78.7	0	0	0	111.5	F30 D38 S135 L136 F173	F30-H34 AromaticContact CD1-ND1 3.84Å; F30-H34 AromaticContact CD2-CE1 3.4Å; F30-H34 VanDerWaalsContact CD2-CE1 3.4Å; F30-H34 WeakPolarHBondContact CD2-CE1 3.21Å; F30-H34 AromaticContact CD2-ND1 3.71Å; F30-H34 AromaticContact CE1-CE1 3.91Å; F30-H34 AromaticContact CE1-ND1 3.7Å; F30-H34 AromaticContact CE2-CE1 3.01Å; F30-H34 WeakPolarHBondContact CE2-CE1 3.22Å; F30-H34 AromaticContact CE2-ND1 3.59Å; F30-H34 AromaticContact CE2-NE2 3.67Å; F30-H34 AromaticContact CG-ND1 3.84Å; F30-H34 AromaticContact CZ-CE1 3.28Å; F30-H34 WeakPolarHBondContact CZ-CE1 3.09Å; F30-H34 AromaticContact CZ-ND1 3.58Å; F30-H34 AromaticContact CZ-NE2 3.66Å; F30-H34 PolarHBondContact O-N 3.3Å; F30-H34 PolarHBondContact O-ND1 2.89Å; H34-D38 WeakPolarHBondContact CA-OD2 3.05Å; H34-D38 IonicContact CD2-OD2 3.99Å; H34-D38 IonicContact CG-OD2 3.65Å; H34-S135 CarbonylContact O-C 3.54Å; H34-S135 VanDerWaalsContact O-CA 3.29Å; H34-S135 WeakPolarHBondContact O-CA 3.44Å; H34-L136 HydrophobicContact CB-CD1 3.57Å; H34-L136 HydrophobicContact CB-CG 3.99Å; H34-L136 PolarHBondContact O-N 3.24Å; H34-F173 AromaticContact CD2-CZ 3.91Å
35	R	97.6	Very high	92.1	Very high	133 Å²	133	66.5 Å²	66.5	50%	0.502	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-95.1	156.5	-179.6	-63.1	-179.6	-176.8	-170.9	5.7	110.8	Y37 D38 N133 A134	R35-Y37 PolarHBondContact O-N 3.11Å; R35-D38 PolarHBondContact N-OD2 3.3Å; R35-D38 WeakPolarHBondContact O-CB 3.27Å; R35-D38 PolarHBondContact O-N 2.93Å; R35-N133 PolarHBondContact NH1-OD1 3.14Å; R35-A134 CarbonylContact C-O 3.56Å; R35-A134 WeakPolarHBondContact CA-O 3.27Å
36	C	97.8	Very high	93.3	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-55.7	-34.2	171.9	-71.3	0	0	0	0	112.6	D38 L39 I130 P132 A134 V153	C36-D38 PolarHBondContact O-N 2.9Å; C36-L39 PolarHBondContact O-N 3.26Å; C36-I130 VanDerWaalsContact SG-CD1 3.59Å; C36-P132 PolarHBondContact N-O 3.02Å; C36-A134 PolarHBondContact N-O 3.31Å; C36-A134 PolarHBondContact SG-O 3.22Å; C36-V153 HydrophobicContact CB-CG1 4.38Å; C36-V153 HydrophobicContact CB-CG2 4.41Å
37	Y	97.1	Very high	93.9	Very high	139 Å²	139	65.8 Å²	65.8	55%	0.545	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-59.1	-32.7	176.8	-170.3	-100.8	0	0	0	113.3	R35 L39 V40 P132	R35-Y37 PolarHBondContact O-N 3.11Å; Y37-L39 PolarHBondContact O-N 3.1Å; Y37-L39 VanDerWaalsContact O-N 3.1Å; Y37-V40 HydrophobicContact CD2-CG2 4.5Å; Y37-V40 VanDerWaalsContact O-CB 3.3Å; Y37-V40 WeakPolarHBondContact O-CB 3.13Å; Y37-V40 PolarHBondContact O-N 3.43Å; Y37-P132 WeakPolarHBondContact CB-O 3.43Å; Y37-P132 HydrophobicContact CD2-CB 4.15Å; Y37-P132 PolarHBondContact N-O 3.14Å
38	D	96.1	Very high	94.5	Very high	72 Å²	72	68.6 Å²	68.6	39%	0.385	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-64.7	-20.5	-176.9	-55.1	-23.8	0	0	0	112.4	H34 R35 C36 F173	H34-D38 WeakPolarHBondContact CA-OD2 3.05Å; H34-D38 IonicContact CD2-OD2 3.99Å; H34-D38 IonicContact CG-OD2 3.65Å; R35-D38 PolarHBondContact N-OD2 3.3Å; R35-D38 WeakPolarHBondContact O-CB 3.27Å; R35-D38 PolarHBondContact O-N 2.93Å; C36-D38 PolarHBondContact O-N 2.9Å; D38-F173 HydrophobicContact CB-CZ 4.29Å
39	L	95.8	Very high	95.1	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-92.2	-13.5	177.9	-86.1	61.8	0	0	0	113.2	C36 Y37 P41 L136 L165 R169 I170 F173	C36-L39 PolarHBondContact O-N 3.26Å; Y37-L39 PolarHBondContact O-N 3.1Å; Y37-L39 VanDerWaalsContact O-N 3.1Å; L39-P41 WeakPolarHBondContact O-CD 3.26Å; L39-L136 HydrophobicContact CD1-CD1 3.44Å; L39-L136 VanDerWaalsContact CD1-CD1 3.44Å; L39-L136 HydrophobicContact CD1-CD2 3.67Å; L39-L136 HydrophobicContact CD1-CG 4.13Å; L39-L136 HydrophobicContact CD2-CD1 4.32Å; L39-L136 HydrophobicContact CD2-CD2 3.8Å; L39-L136 HydrophobicContact CG-CD2 4.25Å; L39-L165 HydrophobicContact CB-CD1 3.79Å; L39-L165 HydrophobicContact CD2-CD1 3.76Å; L39-L165 HydrophobicContact CG-CD1 4.43Å; L39-R169 HydrophobicContact CD2-CG 4.47Å; L39-R169 PolarHBondContact O-NE 3.46Å; L39-R169 PolarHBondContact O-NH2 2.98Å; L39-I170 HydrophobicContact CD2-CB 4.3Å; L39-I170 HydrophobicContact CD2-CG1 3.79Å; L39-F173 HydrophobicContact CD1-CB 4.12Å; L39-F173 HydrophobicContact CD1-CD1 3.48Å; L39-F173 VanDerWaalsContact CD1-CD1 3.48Å; L39-F173 HydrophobicContact CD1-CD2 3.5Å; L39-F173 VanDerWaalsContact CD1-CD2 3.5Å; L39-F173 HydrophobicContact CD1-CE1 3.6Å; L39-F173 HydrophobicContact CD1-CE2 3.61Å; L39-F173 HydrophobicContact CD1-CG 3.42Å; L39-F173 VanDerWaalsContact CD1-CG 3.42Å; L39-F173 HydrophobicContact CD1-CZ 3.67Å; L39-F173 HydrophobicContact CD2-CB 4.03Å; L39-F173 HydrophobicContact CD2-CG 4.25Å; L39-F173 HydrophobicContact CG-CB 3.89Å; L39-F173 HydrophobicContact CG-CD1 4.21Å; L39-F173 HydrophobicContact CG-CD2 3.84Å; L39-F173 HydrophobicContact CG-CE2 4.38Å; L39-F173 HydrophobicContact CG-CG 3.73Å
40	V	95.2	Very high	95.5	Very high	29 Å²	29	62.4 Å²	62.4	18%	0.176	33%	0.332	C	S	.	.	S	Bend	trans	-69.5	120.1	178.6	-178.5	0	0	0	0	108.1	Y37 Y163	Y37-V40 HydrophobicContact CD2-CG2 4.5Å; Y37-V40 VanDerWaalsContact O-CB 3.3Å; Y37-V40 WeakPolarHBondContact O-CB 3.13Å; Y37-V40 PolarHBondContact O-N 3.43Å; V40-Y163 HydrophobicContact CG1-CG 4.43Å; V40-Y163 HydrophobicContact CG2-CD1 4.32Å; V40-Y163 HydrophobicContact CG2-CG 4.28Å
41	P	95	Very high	95.8	Very high	40 Å²	40	61.5 Å²	61.5	26%	0.26	33%	0.328	S	S	.	.			trans	-61.9	151.8	177.4	-20.7	32.6	0	0	0	111.7	L39 S43 Y163	L39-P41 WeakPolarHBondContact O-CD 3.26Å; P41-S43 WeakPolarHBondContact CB-O 3.35Å; P41-S43 PolarHBondContact O-N 3.24Å; P41-S43 VanDerWaalsContact O-N 3.12Å; P41-Y163 HydrophobicContact CG-CE2 4.01Å
42	T	95	Very high	96	Very high	161 Å²	161	64.2 Å²	64.2	99%	0.988	35%	0.347	S	S	*	.	S	Bend	trans	-53.8	-33.8	174.6	-48.1	0	0	0	0	112.7
43	S	96	Very high	96.2	Very high	110 Å²	110	62 Å²	62	77%	0.769	34%	0.34	S	S	*	.	S	Bend	trans	-137.8	131.1	172	-175	0	0	0	0	109.4	P41	P41-S43 WeakPolarHBondContact CB-O 3.35Å; P41-S43 PolarHBondContact O-N 3.24Å; P41-S43 VanDerWaalsContact O-N 3.12Å
44	S	93.8	Very high	96.4	Very high	56 Å²	56	61.1 Å²	61.1	39%	0.392	33%	0.326	S	S	.	.			trans	-145.8	156.1	175.8	73.8	0	0	0	0	110.9
45	K	94.6	Very high	96.3	Very high	126 Å²	126	59.1 Å²	59.1	55%	0.548	32%	0.317	S	S	.	.			trans	-102.3	129	174.1	-179.1	178.1	66.6	172.2	0	108.9	N65	K45-N65 PolarHBondContact NZ-O 3.46Å; K45-N65 PolarHBondContact NZ-OD1 3.36Å
46	L	95.8	Very high	96.1	Very high	56 Å²	56	55.4 Å²	55.4	29%	0.293	31%	0.305	S	S	.	.			trans	-115.5	130.1	171.7	-171.3	73.3	0	0	0	109.6	V48 P71 T161 I164	L46-V48 HydrophobicContact CD2-CG2 3.91Å; L46-V48 HydrophobicContact CG-CG2 4.15Å; L46-P71 HydrophobicContact CD1-CG 4.24Å; L46-T161 HydrophobicContact CD1-CG2 4.28Å; L46-T161 HydrophobicContact CD2-CG2 3.6Å; L46-T161 WeakPolarHBondContact CD2-O 3.39Å; L46-I164 HydrophobicContact CD1-CD1 3.79Å; L46-I164 HydrophobicContact CD1-CG1 3.84Å
47	V	97.5	Very high	95.9	Very high	20 Å²	20	61.2 Å²	61.2	12%	0.121	33%	0.33	C	S	.	.			trans	-103.8	126.8	172.2	179.4	0	0	0	0	107.6	F49 N65 V67 A70 P71	V47-F49 HydrophobicContact CG1-CD1 4.1Å; V47-F49 HydrophobicContact CG1-CE1 3.39Å; V47-F49 HydrophobicContact CG1-CE2 4.44Å; V47-F49 HydrophobicContact CG1-CZ 3.6Å; V47-N65 HydrophobicContact CG2-CB 3.81Å; V47-V67 HydrophobicContact CB-CG2 4.16Å; V47-V67 HydrophobicContact CG2-CG1 4.22Å; V47-V67 HydrophobicContact CG2-CG2 3.88Å; V47-A70 HydrophobicContact CG1-CB 4.44Å; V47-A70 VanDerWaalsContact O-CB 3.26Å; V47-A70 WeakPolarHBondContact O-CB 3.45Å; V47-P71 WeakPolarHBondContact O-CD 3.39Å
48	V	97.9	Very high	95.9	Very high	62 Å²	62	54.6 Å²	54.6	38%	0.376	30%	0.304	S	S	.	.			trans	-120.7	138.2	176.9	177.9	0	0	0	0	108.2	L46 P71 W73 F80	L46-V48 HydrophobicContact CD2-CG2 3.91Å; L46-V48 HydrophobicContact CG-CG2 4.15Å; V48-P71 HydrophobicContact CG2-CG 4.45Å; V48-W73 HydrophobicContact CG1-CB 3.87Å; V48-F80 HydrophobicContact CG1-CE1 3.79Å; V48-F80 HydrophobicContact CG2-CE1 4.22Å
49	F	98.3	Very high	95.8	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.048	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135	175.2	-59.5	-44.2	0	0	0	111.1	V47 L53 A58 A61 L62 A70 P71 L72 W73 L84 I112	V47-F49 HydrophobicContact CG1-CD1 4.1Å; V47-F49 HydrophobicContact CG1-CE1 3.39Å; V47-F49 HydrophobicContact CG1-CE2 4.44Å; V47-F49 HydrophobicContact CG1-CZ 3.6Å; F49-L53 HydrophobicContact CB-CD2 4.06Å; F49-L53 HydrophobicContact CD1-CD2 3.59Å; F49-L53 HydrophobicContact CE1-CD2 4.21Å; F49-L53 HydrophobicContact CG-CD2 3.89Å; F49-A58 HydrophobicContact CD2-CB 3.92Å; F49-A58 HydrophobicContact CE2-CB 3.95Å; F49-A58 HydrophobicContact CG-CB 4.38Å; F49-A58 HydrophobicContact CZ-CB 4.43Å; F49-A58 WeakPolarHBondContact CZ-O 3.27Å; F49-A61 HydrophobicContact CE1-CB 3.62Å; F49-A61 HydrophobicContact CZ-CB 3.67Å; F49-L62 HydrophobicContact CE2-CD2 3.68Å; F49-L62 HydrophobicContact CE2-CG 3.82Å; F49-L62 HydrophobicContact CZ-CD2 3.96Å; F49-L62 HydrophobicContact CZ-CG 4.08Å; F49-A70 HydrophobicContact CD2-CB 3.53Å; F49-A70 HydrophobicContact CE2-CB 3.47Å; F49-A70 VanDerWaalsContact CE2-CB 3.47Å; F49-A70 HydrophobicContact CG-CB 4.29Å; F49-A70 HydrophobicContact CZ-CB 4.2Å; F49-P71 PolarHBondContact N-O 2.9Å; F49-L72 HydrophobicContact CB-CD2 3.98Å; F49-L72 WeakPolarHBondContact O-CA 3.25Å; F49-W73 PolarHBondContact O-N 3.29Å; F49-L84 HydrophobicContact CD2-CD2 3.93Å; F49-L84 HydrophobicContact CE2-CD2 4.1Å; F49-I112 HydrophobicContact CB-CD1 3.84Å; F49-I112 HydrophobicContact CD2-CD1 4.46Å; F49-I112 HydrophobicContact CG-CD1 4.46Å
50	D	98.1	Very high	95.6	Very high	47 Å²	47	53.5 Å²	53.5	25%	0.251	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.7	164.1	-171.7	-81.6	0	0	0	109.4	S52 L53 W73 S75	D50-S52 PolarHBondContact O-N 3.1Å; D50-S52 VanDerWaalsContact O-N 3.14Å; D50-S52 WeakPolarHBondContact OD1-CB 3.16Å; D50-S52 PolarHBondContact OD1-N 2.77Å; D50-S52 PolarHBondContact OD1-OG 3.22Å; D50-L53 WeakPolarHBondContact O-CB 3.01Å; D50-L53 PolarHBondContact O-N 3.33Å; D50-W73 WeakPolarHBondContact CA-O 3.42Å; D50-S75 WeakPolarHBondContact OD2-CB 3.33Å; D50-S75 PolarHBondContact OD2-OG 3Å
51	T	96.9	Very high	95.6	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.037	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.5	-179.2	51.9	0	0	0	0	114.2	L53 L72 W73 D74 V81 I112 E113	T51-L53 VanDerWaalsContact C-N 3.3Å; T51-L72 HydrophobicContact CG2-CB 4.15Å; T51-W73 WeakPolarHBondContact CG2-O 3.25Å; T51-W73 PolarHBondContact N-O 3.19Å; T51-W73 PolarHBondContact OG1-O 3.31Å; T51-D74 HydrophobicContact CG2-CB 4.4Å; T51-V81 HydrophobicContact CG2-CG2 3.63Å; T51-I112 CarbonylContact O-C 3.57Å; T51-I112 WeakPolarHBondContact O-CB 3.48Å; T51-I112 PolarHBondContact O-N 3.32Å; T51-E113 PolarHBondContact O-N 3.3Å
52	S	96.9	Very high	95.5	Very high	57 Å²	57	51.4 Å²	51.4	40%	0.399	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.4	173.7	70.8	0	0	0	0	114.1	D50 K111	D50-S52 PolarHBondContact O-N 3.1Å; D50-S52 VanDerWaalsContact O-N 3.14Å; D50-S52 WeakPolarHBondContact OD1-CB 3.16Å; D50-S52 PolarHBondContact OD1-N 2.77Å; D50-S52 PolarHBondContact OD1-OG 3.22Å; S52-K111 VanDerWaalsContact O-CD 3.32Å; S52-K111 WeakPolarHBondContact O-CD 3.13Å; S52-K111 WeakPolarHBondContact O-CG 3.2Å
53	L	97.4	Very high	95.4	Very high	52 Å²	52	46 Å²	46	27%	0.272	25%	0.251	S	S	.	.	S	Bend	trans	-65.1	140.5	177.1	-175.9	63.6	0	0	0	110.8	F49 D50 T51 K57 A58 K111 I112	F49-L53 HydrophobicContact CB-CD2 4.06Å; F49-L53 HydrophobicContact CD1-CD2 3.59Å; F49-L53 HydrophobicContact CE1-CD2 4.21Å; F49-L53 HydrophobicContact CG-CD2 3.89Å; D50-L53 WeakPolarHBondContact O-CB 3.01Å; D50-L53 PolarHBondContact O-N 3.33Å; T51-L53 VanDerWaalsContact C-N 3.3Å; L53-K57 HydrophobicContact CD1-CB 4.08Å; L53-K57 HydrophobicContact CD1-CD 4.41Å; L53-K57 HydrophobicContact CG-CB 4.42Å; L53-A58 HydrophobicContact CD2-CB 3.9Å; L53-A58 HydrophobicContact CG-CB 4.43Å; L53-K111 WeakPolarHBondContact O-CA 3.35Å; L53-I112 HydrophobicContact CB-CD1 4.1Å; L53-I112 WeakPolarHBondContact O-CG1 3.42Å; L53-I112 PolarHBondContact O-N 3.35Å
54	Q	96.2	Very high	95.2	Very high	63 Å²	63	45.5 Å²	45.5	29%	0.294	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-62.1	135.2	173	-75.6	173.7	-28	0	0	111.1	K56 K57 A58 H110	Q54-K56 PolarHBondContact O-N 3.47Å; Q54-K57 HydrophobicContact CB-CB 4.31Å; Q54-K57 HydrophobicContact CB-CD 4.23Å; Q54-K57 HydrophobicContact CB-CG 4.21Å; Q54-K57 PolarHBondContact O-N 3.34Å; Q54-K57 VanDerWaalsContact O-N 3.11Å; Q54-A58 PolarHBondContact O-N 3.1Å; Q54-H110 WeakPolarHBondContact CA-O 3.41Å
55	V	94.1	Very high	95.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-46	-175.3	174.1	0	0	0	0	111.5	K57 A58 F59 I92 L107 H110 K111 I112 W115	V55-K57 PolarHBondContact O-N 3.28Å; V55-A58 WeakPolarHBondContact O-CB 3.44Å; V55-A58 PolarHBondContact O-N 3.35Å; V55-A58 VanDerWaalsContact O-N 3.16Å; V55-F59 HydrophobicContact CG1-CD2 3.75Å; V55-F59 HydrophobicContact CG1-CE2 3.33Å; V55-F59 HydrophobicContact CG1-CZ 4.38Å; V55-F59 VanDerWaalsContact O-CD2 3.28Å; V55-F59 WeakPolarHBondContact O-CD2 3.36Å; V55-F59 PolarHBondContact O-N 2.9Å; V55-F59 VanDerWaalsContact O-N 3.09Å; V55-I92 HydrophobicContact CG1-CD1 3.51Å; V55-L107 HydrophobicContact CG1-CD1 3.81Å; V55-H110 HydrophobicContact CG2-CB 4.16Å; V55-H110 WeakPolarHBondContact CG2-O 3.42Å; V55-H110 PolarHBondContact N-O 2.94Å; V55-K111 VanDerWaalsContact CG2-C 3.48Å; V55-K111 WeakPolarHBondContact CG2-O 3.35Å; V55-I112 HydrophobicContact CG2-CG1 4.23Å; V55-W115 HydrophobicContact CG2-CB 4.06Å
56	K	92.4	Very high	95	Very high	56 Å²	56	43 Å²	43	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-48.9	-57.8	171.5	-179.6	170.5	172.4	171.3	0	110.8	Q54 A58 F59 F60 L107 E108 Y253	Q54-K56 PolarHBondContact O-N 3.47Å; K56-A58 VanDerWaalsContact C-N 3.26Å; K56-A58 PolarHBondContact O-N 3.28Å; K56-F59 PolarHBondContact O-N 3.32Å; K56-F59 VanDerWaalsContact O-N 3.14Å; K56-F60 HydrophobicContact CG-CD2 3.89Å; K56-F60 HydrophobicContact CG-CE2 3.72Å; K56-F60 VanDerWaalsContact O-CD2 3.25Å; K56-F60 WeakPolarHBondContact O-CD2 3.44Å; K56-F60 PolarHBondContact O-N 3.47Å; K56-L107 WeakPolarHBondContact CB-O 3.49Å; K56-L107 PolarHBondContact N-O 3.15Å; K56-E108 HydrophobicContact CD-CB 4.33Å; K56-E108 HydrophobicContact CD-CG 4.1Å; K56-E108 IonicContact NZ-OE1 2.74Å; K56-E108 PolarHBondContact NZ-OE1 3.03Å; K56-E108 IonicContact NZ-OE2 2.71Å; K56-E108 PolarHBondContact NZ-OE2 3.18Å; K56-Y253 WeakPolarHBondContact CE-OH 3.45Å
57	K	94.3	Very high	94.8	Very high	122 Å²	122	41.9 Å²	41.9	53%	0.53	25%	0.248	S	C	.	.	H	α-helix	trans	-57.6	-37.9	-179.2	-69.3	-178.9	177.3	155.4	0	112.7	L53 Q54 V55 F60 A61	L53-K57 HydrophobicContact CD1-CB 4.08Å; L53-K57 HydrophobicContact CD1-CD 4.41Å; L53-K57 HydrophobicContact CG-CB 4.42Å; Q54-K57 HydrophobicContact CB-CB 4.31Å; Q54-K57 HydrophobicContact CB-CD 4.23Å; Q54-K57 HydrophobicContact CB-CG 4.21Å; Q54-K57 PolarHBondContact O-N 3.34Å; Q54-K57 VanDerWaalsContact O-N 3.11Å; V55-K57 PolarHBondContact O-N 3.28Å; K57-F60 PolarHBondContact O-N 3.17Å; K57-A61 VanDerWaalsContact O-CB 3.32Å; K57-A61 WeakPolarHBondContact O-CB 3.49Å; K57-A61 PolarHBondContact O-N 3.07Å
58	A	95.9	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-45.9	177.4	0	0	0	0	0	112.1	F49 L53 Q54 V55 K56 A61 L62 L84 I112	F49-A58 HydrophobicContact CD2-CB 3.92Å; F49-A58 HydrophobicContact CE2-CB 3.95Å; F49-A58 HydrophobicContact CG-CB 4.38Å; F49-A58 HydrophobicContact CZ-CB 4.43Å; F49-A58 WeakPolarHBondContact CZ-O 3.27Å; L53-A58 HydrophobicContact CD2-CB 3.9Å; L53-A58 HydrophobicContact CG-CB 4.43Å; Q54-A58 PolarHBondContact O-N 3.1Å; V55-A58 WeakPolarHBondContact O-CB 3.44Å; V55-A58 PolarHBondContact O-N 3.35Å; V55-A58 VanDerWaalsContact O-N 3.16Å; K56-A58 VanDerWaalsContact C-N 3.26Å; K56-A58 PolarHBondContact O-N 3.28Å; A58-A61 PolarHBondContact O-N 3.42Å; A58-L62 WeakPolarHBondContact O-CG 3.39Å; A58-L62 PolarHBondContact O-N 2.57Å; A58-L84 HydrophobicContact CB-CD2 3.54Å; A58-I112 HydrophobicContact CB-CD1 3.86Å; A58-I112 HydrophobicContact CB-CG1 4.36Å
59	F	94.4	Very high	94.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-39	176.8	-70.1	-59.3	0	0	0	113	V55 K56 A61 L62 V63 L84 D88 F89 I92 L107 I245 A248	V55-F59 HydrophobicContact CG1-CD2 3.75Å; V55-F59 HydrophobicContact CG1-CE2 3.33Å; V55-F59 HydrophobicContact CG1-CZ 4.38Å; V55-F59 VanDerWaalsContact O-CD2 3.28Å; V55-F59 WeakPolarHBondContact O-CD2 3.36Å; V55-F59 PolarHBondContact O-N 2.9Å; V55-F59 VanDerWaalsContact O-N 3.09Å; K56-F59 PolarHBondContact O-N 3.32Å; K56-F59 VanDerWaalsContact O-N 3.14Å; F59-A61 VanDerWaalsContact C-N 3.31Å; F59-A61 PolarHBondContact O-N 2.87Å; F59-L62 HydrophobicContact CD1-CD1 3.92Å; F59-L62 HydrophobicContact CE1-CD1 4.3Å; F59-L62 WeakPolarHBondContact O-CB 3.47Å; F59-L62 PolarHBondContact O-N 3.23Å; F59-V63 PolarHBondContact O-N 3.32Å; F59-V63 VanDerWaalsContact O-N 3.14Å; F59-L84 HydrophobicContact CE1-CD1 4.17Å; F59-L84 HydrophobicContact CE1-CD2 4.23Å; F59-L84 HydrophobicContact CE1-CG 4.07Å; F59-L84 HydrophobicContact CZ-CD1 3.85Å; F59-L84 HydrophobicContact CZ-CD2 4.41Å; F59-L84 HydrophobicContact CZ-CG 4.24Å; F59-D88 HydrophobicContact CZ-CB 4.29Å; F59-F89 HydrophobicContact CD1-CB 3.92Å; F59-F89 HydrophobicContact CD1-CD2 4.15Å; F59-F89 HydrophobicContact CD1-CG 4.14Å; F59-F89 HydrophobicContact CD2-CB 4.46Å; F59-F89 AromaticContact CD2-CD2 3.48Å; F59-F89 HydrophobicContact CD2-CD2 3.48Å; F59-F89 VanDerWaalsContact CD2-CD2 3.48Å; F59-F89 HydrophobicContact CD2-CE2 4.09Å; F59-F89 HydrophobicContact CD2-CG 4.26Å; F59-F89 HydrophobicContact CE1-CB 3.49Å; F59-F89 VanDerWaalsContact CE1-CB 3.49Å; F59-F89 HydrophobicContact CE1-CD2 4.3Å; F59-F89 HydrophobicContact CE1-CG 4.18Å; F59-F89 HydrophobicContact CE2-CB 4.01Å; F59-F89 AromaticContact CE2-CD2 3.57Å; F59-F89 HydrophobicContact CE2-CD2 3.57Å; F59-F89 HydrophobicContact CE2-CG 4.21Å; F59-F89 HydrophobicContact CG-CB 4.42Å; F59-F89 AromaticContact CG-CD2 3.79Å; F59-F89 HydrophobicContact CG-CD2 3.79Å; F59-F89 HydrophobicContact CG-CE2 4.37Å; F59-F89 HydrophobicContact CG-CG 4.23Å; F59-F89 VanDerWaalsContact CZ-CA 3.48Å; F59-F89 HydrophobicContact CZ-CB 3.53Å; F59-F89 HydrophobicContact CZ-CD2 4.03Å; F59-F89 HydrophobicContact CZ-CG 4.2Å; F59-I92 HydrophobicContact CE2-CD1 3.67Å; F59-I92 HydrophobicContact CZ-CD1 4.08Å; F59-L107 HydrophobicContact CD2-CD1 4.18Å; F59-L107 HydrophobicContact CE2-CD1 4.28Å; F59-I245 HydrophobicContact CD1-CD1 4.1Å; F59-A248 HydrophobicContact CB-CB 4.37Å
60	F	92.5	Very high	94.3	Very high	47 Å²	47	41.7 Å²	41.7	21%	0.206	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-43.9	170.8	-84.2	-87.4	0	0	0	111.3	K56 K57 L62 V63 S64 A248 K251 Y253	K56-F60 HydrophobicContact CG-CD2 3.89Å; K56-F60 HydrophobicContact CG-CE2 3.72Å; K56-F60 VanDerWaalsContact O-CD2 3.25Å; K56-F60 WeakPolarHBondContact O-CD2 3.44Å; K56-F60 PolarHBondContact O-N 3.47Å; K57-F60 PolarHBondContact O-N 3.17Å; F60-L62 VanDerWaalsContact C-N 3.32Å; F60-L62 PolarHBondContact O-N 3.15Å; F60-V63 PolarHBondContact O-N 2.93Å; F60-S64 PolarHBondContact O-N 3.44Å; F60-S64 PolarHBondContact O-OG 2.77Å; F60-S64 VanDerWaalsContact O-OG 3.1Å; F60-A248 VanDerWaalsContact CE1-O 3.28Å; F60-A248 WeakPolarHBondContact CE1-O 3.37Å; F60-A248 VanDerWaalsContact CZ-O 3.31Å; F60-A248 WeakPolarHBondContact CZ-O 3.47Å; F60-K251 HydrophobicContact CE1-CD 4.22Å; F60-K251 HydrophobicContact CE1-CG 3.95Å; F60-K251 HydrophobicContact CZ-CD 4Å; F60-K251 HydrophobicContact CZ-CG 3.74Å; F60-Y253 HydrophobicContact CE2-CE1 4.32Å; F60-Y253 HydrophobicContact CZ-CE1 4.36Å
61	A	94.7	Very high	94.2	Very high	25 Å²	25	39.5 Å²	39.5	21%	0.207	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-33.8	178	0	0	0	0	0	112.8	F49 K57 A58 F59 N65	F49-A61 HydrophobicContact CE1-CB 3.62Å; F49-A61 HydrophobicContact CZ-CB 3.67Å; K57-A61 VanDerWaalsContact O-CB 3.32Å; K57-A61 WeakPolarHBondContact O-CB 3.49Å; K57-A61 PolarHBondContact O-N 3.07Å; A58-A61 PolarHBondContact O-N 3.42Å; F59-A61 VanDerWaalsContact C-N 3.31Å; F59-A61 PolarHBondContact O-N 2.87Å; A61-N65 VanDerWaalsContact O-CB 3.28Å; A61-N65 WeakPolarHBondContact O-CB 3.44Å; A61-N65 PolarHBondContact O-N 2.88Å; A61-N65 PolarHBondContact O-ND2 3.17Å
62	L	93.9	Very high	94.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-49.2	172	-70.9	179.6	0	0	0	110.9	F49 A58 F59 F60 N65 G66 V67 A70	F49-L62 HydrophobicContact CE2-CD2 3.68Å; F49-L62 HydrophobicContact CE2-CG 3.82Å; F49-L62 HydrophobicContact CZ-CD2 3.96Å; F49-L62 HydrophobicContact CZ-CG 4.08Å; A58-L62 WeakPolarHBondContact O-CG 3.39Å; A58-L62 PolarHBondContact O-N 2.57Å; F59-L62 HydrophobicContact CD1-CD1 3.92Å; F59-L62 HydrophobicContact CE1-CD1 4.3Å; F59-L62 WeakPolarHBondContact O-CB 3.47Å; F59-L62 PolarHBondContact O-N 3.23Å; F60-L62 VanDerWaalsContact C-N 3.32Å; F60-L62 PolarHBondContact O-N 3.15Å; L62-N65 PolarHBondContact O-N 3.39Å; L62-G66 PolarHBondContact O-N 3.09Å; L62-G66 VanDerWaalsContact O-N 3.09Å; L62-V67 CarbonylContact C-O 3.58Å; L62-V67 HydrophobicContact CB-CG2 4.39Å; L62-V67 HydrophobicContact CD2-CG2 3.58Å; L62-V67 PolarHBondContact O-N 3.28Å; L62-A70 HydrophobicContact CD2-CB 3.84Å
63	V	91.3	Very high	94.3	Very high	46 Å²	46	39.7 Å²	39.7	28%	0.279	22%	0.219	S	C	.	.	H	α-helix	trans	-60.5	-53.5	177.4	173.4	0	0	0	0	111	F59 F60 N65 G66 I245 A248 A249	F59-V63 PolarHBondContact O-N 3.32Å; F59-V63 VanDerWaalsContact O-N 3.14Å; F60-V63 PolarHBondContact O-N 2.93Å; V63-N65 PolarHBondContact O-N 3.33Å; V63-N65 VanDerWaalsContact O-N 3.16Å; V63-G66 PolarHBondContact O-N 2.97Å; V63-I245 HydrophobicContact CG2-CD1 4.42Å; V63-I245 HydrophobicContact CG2-CG1 3.73Å; V63-A248 HydrophobicContact CG2-CB 4.32Å; V63-A249 HydrophobicContact CB-CB 4.49Å; V63-A249 HydrophobicContact CG1-CB 3.51Å; V63-A249 HydrophobicContact CG2-CB 4.21Å
64	S	92	Very high	94.2	Very high	100 Å²	100	38 Å²	38	70%	0.699	21%	0.21	S	C	*	.	H	α-helix	trans	-61.6	-26.8	-177.2	-60.1	0	0	0	0	113	F60	F60-S64 PolarHBondContact O-N 3.44Å; F60-S64 PolarHBondContact O-OG 2.77Å; F60-S64 VanDerWaalsContact O-OG 3.1Å
65	N	93.6	Very high	94.2	Very high	61 Å²	61	37.6 Å²	37.6	33%	0.326	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-3	175.9	-79.2	-77.9	0	0	0	114.1	K45 V47 A61 L62 V63 V67	K45-N65 PolarHBondContact NZ-O 3.46Å; K45-N65 PolarHBondContact NZ-OD1 3.36Å; V47-N65 HydrophobicContact CG2-CB 3.81Å; A61-N65 VanDerWaalsContact O-CB 3.28Å; A61-N65 WeakPolarHBondContact O-CB 3.44Å; A61-N65 PolarHBondContact O-N 2.88Å; A61-N65 PolarHBondContact O-ND2 3.17Å; L62-N65 PolarHBondContact O-N 3.39Å; V63-N65 PolarHBondContact O-N 3.33Å; V63-N65 VanDerWaalsContact O-N 3.16Å; N65-V67 HydrophobicContact CB-CG1 4.42Å; N65-V67 HydrophobicContact CB-CG2 3.91Å; N65-V67 PolarHBondContact O-N 3.06Å
66	G	90.6	Very high	94.3	Very high	69 Å²	69	45.4 Å²	45.4	71%	0.711	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	25.4	-176.3	0	0	0	0	0	113.5	L62 V63	L62-G66 PolarHBondContact O-N 3.09Å; L62-G66 VanDerWaalsContact O-N 3.09Å; V63-G66 PolarHBondContact O-N 2.97Å
67	V	92.1	Very high	94.3	Very high	32 Å²	32	49.7 Å²	49.7	19%	0.194	27%	0.267	C	S	.	.			trans	-107.9	150.5	-179.1	-64.9	0	0	0	0	110.8	V47 L62 N65	V47-V67 HydrophobicContact CB-CG2 4.16Å; V47-V67 HydrophobicContact CG2-CG1 4.22Å; V47-V67 HydrophobicContact CG2-CG2 3.88Å; L62-V67 CarbonylContact C-O 3.58Å; L62-V67 HydrophobicContact CB-CG2 4.39Å; L62-V67 HydrophobicContact CD2-CG2 3.58Å; L62-V67 PolarHBondContact O-N 3.28Å; N65-V67 HydrophobicContact CB-CG1 4.42Å; N65-V67 HydrophobicContact CB-CG2 3.91Å; N65-V67 PolarHBondContact O-N 3.06Å
68	R	89.9	Confident	94.3	Very high	83 Å²	83	49.9 Å²	49.9	31%	0.313	27%	0.27	S	S	.	.	S	Bend	trans	-105.7	-7.5	-173.4	-60.9	178.7	-174.6	-178.5	-1.1	113.8	I86 F242 H296	R68-I86 HydrophobicContact CB-CD1 4.2Å; R68-I86 HydrophobicContact CG-CD1 4.41Å; R68-F242 HydrophobicContact CG-CD2 4.19Å; R68-F242 HydrophobicContact CG-CE2 4.17Å; R68-F242 VanDerWaalsContact NE-CD2 3.34Å; R68-H296 PolarHBondContact NH1-NE2 2.97Å
69	A	95.1	Very high	94.1	Very high	7 Å²	7	52.4 Å²	52.4	6%	0.058	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	155.2	177.5	0	0	0	0	0	109.7	M83 L84 T85 R150	A69-M83 HydrophobicContact CB-CE 4.03Å; A69-L84 CarbonylContact C-O 3.52Å; A69-L84 WeakPolarHBondContact CA-O 3.4Å; A69-T85 HydrophobicContact CB-CG2 4.02Å; A69-R150 HydrophobicContact CB-CG 3.87Å
70	A	97.5	Very high	94.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.5	175.7	0	0	0	0	0	110.1	V47 F49 L62 M83 L84	V47-A70 HydrophobicContact CG1-CB 4.44Å; V47-A70 VanDerWaalsContact O-CB 3.26Å; V47-A70 WeakPolarHBondContact O-CB 3.45Å; F49-A70 HydrophobicContact CD2-CB 3.53Å; F49-A70 HydrophobicContact CE2-CB 3.47Å; F49-A70 VanDerWaalsContact CE2-CB 3.47Å; F49-A70 HydrophobicContact CG-CB 4.29Å; F49-A70 HydrophobicContact CZ-CB 4.2Å; L62-A70 HydrophobicContact CD2-CB 3.84Å; A70-M83 WeakPolarHBondContact O-CA 3.17Å; A70-L84 PolarHBondContact N-O 3.26Å; A70-L84 PolarHBondContact O-N 3.07Å
71	P	97.4	Very high	94.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	150.2	167.1	-17.5	33.5	0	0	0	110.8	L46 V47 V48 F49 F80 M83 T161 I164	L46-P71 HydrophobicContact CD1-CG 4.24Å; V47-P71 WeakPolarHBondContact O-CD 3.39Å; V48-P71 HydrophobicContact CG2-CG 4.45Å; F49-P71 PolarHBondContact N-O 2.9Å; P71-F80 HydrophobicContact CB-CD1 3.69Å; P71-F80 HydrophobicContact CB-CE1 3.73Å; P71-M83 HydrophobicContact CB-SD 4.05Å; P71-M83 HydrophobicContact CG-CE 4.3Å; P71-M83 HydrophobicContact CG-SD 4.07Å; P71-T161 HydrophobicContact CG-CG2 4Å; P71-I164 HydrophobicContact CG-CD1 4.39Å
72	L	97.2	Very high	94.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.6	-179.6	-62.9	-179.7	0	0	0	110.5	F49 T51 F80 V81 G82 L84 I112	F49-L72 HydrophobicContact CB-CD2 3.98Å; F49-L72 WeakPolarHBondContact O-CA 3.25Å; T51-L72 HydrophobicContact CG2-CB 4.15Å; L72-F80 CarbonylContact O-C 3.48Å; L72-F80 VanDerWaalsContact O-CA 3.29Å; L72-F80 WeakPolarHBondContact O-CA 3.47Å; L72-V81 HydrophobicContact CB-CG2 4.1Å; L72-V81 PolarHBondContact O-N 3.43Å; L72-G82 WeakPolarHBondContact CB-O 3.3Å; L72-G82 PolarHBondContact N-O 2.88Å; L72-L84 HydrophobicContact CD1-CB 4.28Å; L72-L84 HydrophobicContact CD2-CB 3.84Å; L72-L84 HydrophobicContact CG-CB 4.22Å; L72-I112 HydrophobicContact CD1-CG2 3.58Å; L72-I112 HydrophobicContact CD2-CD1 3.89Å; L72-I112 HydrophobicContact CD2-CG2 3.86Å; L72-I112 HydrophobicContact CG-CG2 4.32Å
73	W	97.3	Very high	94.3	Very high	66 Å²	66	53.5 Å²	53.5	25%	0.25	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127	177.3	179.9	-99.9	0	0	0	110.7	V48 F49 D50 T51 S75 Q78 F80	V48-W73 HydrophobicContact CG1-CB 3.87Å; F49-W73 PolarHBondContact O-N 3.29Å; D50-W73 WeakPolarHBondContact CA-O 3.42Å; T51-W73 WeakPolarHBondContact CG2-O 3.25Å; T51-W73 PolarHBondContact N-O 3.19Å; T51-W73 PolarHBondContact OG1-O 3.31Å; W73-S75 PolarHBondContact NE1-OG 2.64Å; W73-Q78 HydrophobicContact CH2-CB 4.45Å; W73-Q78 VanDerWaalsContact CH2-O 3.23Å; W73-Q78 WeakPolarHBondContact CH2-O 3.26Å; W73-Q78 HydrophobicContact CZ2-CB 4.15Å; W73-F80 HydrophobicContact CB-CE1 4.48Å; W73-F80 HydrophobicContact CE3-CD1 4.18Å; W73-F80 HydrophobicContact CE3-CD2 4.06Å; W73-F80 HydrophobicContact CE3-CE1 4.11Å; W73-F80 AromaticContact CE3-CE2 3.98Å; W73-F80 HydrophobicContact CE3-CE2 3.98Å; W73-F80 HydrophobicContact CE3-CG 4.15Å; W73-F80 HydrophobicContact CE3-CZ 4.01Å; W73-F80 HydrophobicContact CZ3-CD2 4.12Å; W73-F80 HydrophobicContact CZ3-CE2 4.04Å; W73-F80 HydrophobicContact CZ3-CZ 4.47Å
74	D	95.9	Very high	94.5	Very high	16 Å²	16	51.3 Å²	51.3	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	104.5	172.2	-176.3	-28.1	0	0	0	108.9	T51 K76 K77 Q78 C79 V81	T51-D74 HydrophobicContact CG2-CB 4.4Å; D74-K76 PolarHBondContact O-N 2.82Å; D74-K76 WeakPolarHBondContact OD1-CA 3.13Å; D74-K76 WeakPolarHBondContact OD1-CB 3.33Å; D74-K76 PolarHBondContact OD1-N 3.11Å; D74-K77 HydrophobicContact CB-CB 4.18Å; D74-K77 PolarHBondContact O-N 2.95Å; D74-K77 PolarHBondContact OD1-N 3.27Å; D74-K77 VanDerWaalsContact OD2-CD 3.24Å; D74-K77 WeakPolarHBondContact OD2-CD 3.43Å; D74-K77 WeakPolarHBondContact OD2-CE 3.45Å; D74-K77 WeakPolarHBondContact OD2-CG 3.44Å; D74-K77 IonicContact OD2-NZ 3.62Å; D74-Q78 WeakPolarHBondContact O-CA 3.3Å; D74-Q78 PolarHBondContact O-N 3.08Å; D74-C79 PolarHBondContact N-O 2.82Å; D74-C79 PolarHBondContact O-N 2.77Å; D74-V81 HydrophobicContact CB-CB 4.44Å; D74-V81 HydrophobicContact CB-CG1 3.47Å; D74-V81 VanDerWaalsContact CB-CG1 3.47Å; D74-V81 HydrophobicContact CB-CG2 4.1Å
75	S	96.3	Very high	94.6	Very high	56 Å²	56	47.8 Å²	47.8	39%	0.392	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.8	179.3	-74.2	0	0	0	0	114.1	D50 W73 Q78	D50-S75 WeakPolarHBondContact OD2-CB 3.33Å; D50-S75 PolarHBondContact OD2-OG 3Å; W73-S75 PolarHBondContact NE1-OG 2.64Å; S75-Q78 PolarHBondContact O-NE2 3.02Å
76	K	95.4	Very high	94.7	Very high	165 Å²	165	45.6 Å²	45.6	72%	0.717	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-40.1	176.2	-60.6	167.4	-174.1	155.5	0	110.5	D74 E113	D74-K76 PolarHBondContact O-N 2.82Å; D74-K76 WeakPolarHBondContact OD1-CA 3.13Å; D74-K76 WeakPolarHBondContact OD1-CB 3.33Å; D74-K76 PolarHBondContact OD1-N 3.11Å; K76-E113 IonicContact NZ-OE2 4Å; K76-E113 PolarHBondContact NZ-OE2 3.46Å
77	K	92.8	Very high	94.8	Very high	145 Å²	145	44.8 Å²	44.8	63%	0.63	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.8	179.2	-62.3	179.1	-170.1	159.2	0	114	D74 C79 V81	D74-K77 HydrophobicContact CB-CB 4.18Å; D74-K77 PolarHBondContact O-N 2.95Å; D74-K77 PolarHBondContact OD1-N 3.27Å; D74-K77 VanDerWaalsContact OD2-CD 3.24Å; D74-K77 WeakPolarHBondContact OD2-CD 3.43Å; D74-K77 WeakPolarHBondContact OD2-CE 3.45Å; D74-K77 WeakPolarHBondContact OD2-CG 3.44Å; D74-K77 IonicContact OD2-NZ 3.62Å; K77-C79 VanDerWaalsContact C-N 3.29Å; K77-C79 PolarHBondContact O-N 2.95Å; K77-V81 HydrophobicContact CD-CG1 4.5Å
78	Q	93.8	Very high	94.9	Very high	127 Å²	127	44.1 Å²	44.1	59%	0.593	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	44.7	-175.3	-66.2	-70.9	-59.2	0	0	112.3	W73 D74 S75	W73-Q78 HydrophobicContact CH2-CB 4.45Å; W73-Q78 VanDerWaalsContact CH2-O 3.23Å; W73-Q78 WeakPolarHBondContact CH2-O 3.26Å; W73-Q78 HydrophobicContact CZ2-CB 4.15Å; D74-Q78 WeakPolarHBondContact O-CA 3.3Å; D74-Q78 PolarHBondContact O-N 3.08Å; S75-Q78 PolarHBondContact O-NE2 3.02Å
79	C	93.4	Very high	95.1	Very high	53 Å²	53	40.3 Å²	40.3	36%	0.358	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	163	179.6	71	0	0	0	0	113.2	D74 K77	D74-C79 PolarHBondContact N-O 2.82Å; D74-C79 PolarHBondContact O-N 2.77Å; K77-C79 VanDerWaalsContact C-N 3.29Å; K77-C79 PolarHBondContact O-N 2.95Å
80	F	95.1	Very high	95.1	Very high	39 Å²	39	40 Å²	40	17%	0.171	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124	170.3	-70.8	-76.3	0	0	0	110.5	V48 P71 L72 W73 L127 I154 G159 T161	V48-F80 HydrophobicContact CG1-CE1 3.79Å; V48-F80 HydrophobicContact CG2-CE1 4.22Å; P71-F80 HydrophobicContact CB-CD1 3.69Å; P71-F80 HydrophobicContact CB-CE1 3.73Å; L72-F80 CarbonylContact O-C 3.48Å; L72-F80 VanDerWaalsContact O-CA 3.29Å; L72-F80 WeakPolarHBondContact O-CA 3.47Å; W73-F80 HydrophobicContact CB-CE1 4.48Å; W73-F80 HydrophobicContact CE3-CD1 4.18Å; W73-F80 HydrophobicContact CE3-CD2 4.06Å; W73-F80 HydrophobicContact CE3-CE1 4.11Å; W73-F80 AromaticContact CE3-CE2 3.98Å; W73-F80 HydrophobicContact CE3-CE2 3.98Å; W73-F80 HydrophobicContact CE3-CG 4.15Å; W73-F80 HydrophobicContact CE3-CZ 4.01Å; W73-F80 HydrophobicContact CZ3-CD2 4.12Å; W73-F80 HydrophobicContact CZ3-CE2 4.04Å; W73-F80 HydrophobicContact CZ3-CZ 4.47Å; F80-L127 HydrophobicContact CB-CD2 3.56Å; F80-I154 HydrophobicContact CB-CD1 4.42Å; F80-I154 HydrophobicContact CD2-CD1 4.17Å; F80-I154 HydrophobicContact CG-CD1 4.46Å; F80-G159 WeakPolarHBondContact CE2-O 3.28Å; F80-T161 VanDerWaalsContact CE2-OG1 3.24Å; F80-T161 WeakPolarHBondContact CE2-OG1 3.22Å; F80-T161 VanDerWaalsContact CZ-OG1 3.25Å; F80-T161 WeakPolarHBondContact CZ-OG1 3.46Å
81	V	93.9	Very high	94.9	Very high	29 Å²	29	40.5 Å²	40.5	18%	0.176	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-8.8	-172.3	-64.4	0	0	0	0	114.2	T51 L72 D74 K77 R116	T51-V81 HydrophobicContact CG2-CG2 3.63Å; L72-V81 HydrophobicContact CB-CG2 4.1Å; L72-V81 PolarHBondContact O-N 3.43Å; D74-V81 HydrophobicContact CB-CB 4.44Å; D74-V81 HydrophobicContact CB-CG1 3.47Å; D74-V81 VanDerWaalsContact CB-CG1 3.47Å; D74-V81 HydrophobicContact CB-CG2 4.1Å; K77-V81 HydrophobicContact CD-CG1 4.5Å; V81-R116 PolarHBondContact O-NH2 3.35Å
82	G	94.3	Very high	94.7	Very high	4 Å²	4	40.6 Å²	40.6	4%	0.041	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-172.7	-176.2	0	0	0	0	0	114	L72	L72-G82 WeakPolarHBondContact CB-O 3.3Å; L72-G82 PolarHBondContact N-O 2.88Å
83	M	95.6	Very high	94.5	Very high	25 Å²	25	40.6 Å²	40.6	12%	0.123	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.9	171.4	-63.4	-64.5	-65.2	0	0	108.7	A69 A70 P71 T85 L127 R150 P152 I164	A69-M83 HydrophobicContact CB-CE 4.03Å; A70-M83 WeakPolarHBondContact O-CA 3.17Å; P71-M83 HydrophobicContact CB-SD 4.05Å; P71-M83 HydrophobicContact CG-CE 4.3Å; P71-M83 HydrophobicContact CG-SD 4.07Å; M83-T85 HydrophobicContact CB-CG2 4.15Å; M83-L127 HydrophobicContact CG-CD1 3.91Å; M83-L127 HydrophobicContact SD-CD1 4.41Å; M83-R150 HydrophobicContact CE-CB 4.31Å; M83-P152 HydrophobicContact SD-CB 4.34Å; M83-P152 HydrophobicContact SD-CG 4.01Å; M83-I164 HydrophobicContact CE-CD1 3.87Å; M83-I164 HydrophobicContact CE-CG1 4.27Å; M83-I164 HydrophobicContact CE-CG2 4.34Å
84	L	95.9	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.2	162.4	-174.4	72.2	0	0	0	108.7	F49 A58 F59 A69 A70 L72 D88 I112 W115	F49-L84 HydrophobicContact CD2-CD2 3.93Å; F49-L84 HydrophobicContact CE2-CD2 4.1Å; A58-L84 HydrophobicContact CB-CD2 3.54Å; F59-L84 HydrophobicContact CE1-CD1 4.17Å; F59-L84 HydrophobicContact CE1-CD2 4.23Å; F59-L84 HydrophobicContact CE1-CG 4.07Å; F59-L84 HydrophobicContact CZ-CD1 3.85Å; F59-L84 HydrophobicContact CZ-CD2 4.41Å; F59-L84 HydrophobicContact CZ-CG 4.24Å; A69-L84 CarbonylContact C-O 3.52Å; A69-L84 WeakPolarHBondContact CA-O 3.4Å; A70-L84 PolarHBondContact N-O 3.26Å; A70-L84 PolarHBondContact O-N 3.07Å; L72-L84 HydrophobicContact CD1-CB 4.28Å; L72-L84 HydrophobicContact CD2-CB 3.84Å; L72-L84 HydrophobicContact CG-CB 4.22Å; L84-D88 HydrophobicContact CD1-CB 3.86Å; L84-I112 HydrophobicContact CD2-CD1 4.22Å; L84-W115 HydrophobicContact CD1-CZ3 4.32Å
85	T	94.9	Very high	94.2	Very high	26 Å²	26	44.3 Å²	44.3	16%	0.16	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	169.9	-172.1	71.8	0	0	0	0	110.9	A69 M83 T87 D88 F89	A69-T85 HydrophobicContact CB-CG2 4.02Å; M83-T85 HydrophobicContact CB-CG2 4.15Å; T85-T87 PolarHBondContact O-N 3.11Å; T85-T87 PolarHBondContact OG1-N 2.87Å; T85-D88 WeakPolarHBondContact CA-OD2 3.42Å; T85-D88 PolarHBondContact N-OD2 3.28Å; T85-D88 WeakPolarHBondContact O-CB 3.46Å; T85-D88 PolarHBondContact O-N 2.96Å; T85-D88 PolarHBondContact OG1-OD2 3.04Å; T85-F89 PolarHBondContact O-N 3.35Å
86	I	93.8	Very high	94	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.077	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-25.1	176	-46.4	170	0	0	0	112.1	R68 D88 F89 I90 K241 F242 V244 I245	R68-I86 HydrophobicContact CB-CD1 4.2Å; R68-I86 HydrophobicContact CG-CD1 4.41Å; I86-D88 PolarHBondContact O-N 3.12Å; I86-F89 WeakPolarHBondContact O-CB 3.39Å; I86-F89 PolarHBondContact O-N 3.27Å; I86-I90 HydrophobicContact CG2-CD1 4.5Å; I86-I90 WeakPolarHBondContact O-CG1 3.4Å; I86-I90 PolarHBondContact O-N 3.47Å; I86-K241 WeakPolarHBondContact CG2-O 3.36Å; I86-F242 HydrophobicContact CD1-CD2 4.3Å; I86-V244 HydrophobicContact CG2-CB 4.39Å; I86-I245 HydrophobicContact CD1-CB 4.18Å; I86-I245 HydrophobicContact CD1-CG2 4.46Å; I86-I245 HydrophobicContact CG1-CB 4.33Å; I86-I245 HydrophobicContact CG1-CD1 4.31Å; I86-I245 HydrophobicContact CG1-CG1 4.43Å; I86-I245 HydrophobicContact CG2-CB 4.14Å; I86-I245 HydrophobicContact CG2-CD1 4.32Å
87	T	93.6	Very high	93.9	Very high	51 Å²	51	35.9 Å²	35.9	31%	0.313	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-36.8	173.6	-56.3	0	0	0	0	111.2	T85 F89 I90 N91	T85-T87 PolarHBondContact O-N 3.11Å; T85-T87 PolarHBondContact OG1-N 2.87Å; T87-F89 VanDerWaalsContact C-N 3.32Å; T87-I90 WeakPolarHBondContact O-CB 3.32Å; T87-I90 PolarHBondContact O-N 3.11Å; T87-N91 PolarHBondContact O-N 3.45Å; T87-N91 PolarHBondContact O-ND2 2.94Å
88	D	93.7	Very high	93.7	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.102	18%	0.176	C	C	.	.	H	α-helix	trans	-67.3	-38.3	178.4	-53.7	-52.4	0	0	0	110.7	F59 L84 T85 I86 N91 I92 W115	F59-D88 HydrophobicContact CZ-CB 4.29Å; L84-D88 HydrophobicContact CD1-CB 3.86Å; T85-D88 WeakPolarHBondContact CA-OD2 3.42Å; T85-D88 PolarHBondContact N-OD2 3.28Å; T85-D88 WeakPolarHBondContact O-CB 3.46Å; T85-D88 PolarHBondContact O-N 2.96Å; T85-D88 PolarHBondContact OG1-OD2 3.04Å; I86-D88 PolarHBondContact O-N 3.12Å; D88-N91 PolarHBondContact O-N 3.16Å; D88-I92 WeakPolarHBondContact O-CD1 3.46Å; D88-I92 VanDerWaalsContact O-CG1 3.26Å; D88-I92 WeakPolarHBondContact O-CG1 3.39Å; D88-I92 PolarHBondContact O-N 3.49Å; D88-W115 HydrophobicContact CB-CH2 3.38Å; D88-W115 HydrophobicContact CB-CZ2 3.8Å; D88-W115 HydrophobicContact CB-CZ3 3.92Å; D88-W115 VanDerWaalsContact CG-CH2 3.44Å; D88-W115 WeakPolarHBondContact OD1-CH2 3.32Å
89	F	94.1	Very high	93.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-48.3	173	-168.3	-132.1	0	0	0	111.8	F59 T85 I86 T87 N91 I92 L93 L107 V244 I245 L247 A248 Y253	F59-F89 HydrophobicContact CD1-CB 3.92Å; F59-F89 HydrophobicContact CD1-CD2 4.15Å; F59-F89 HydrophobicContact CD1-CG 4.14Å; F59-F89 HydrophobicContact CD2-CB 4.46Å; F59-F89 AromaticContact CD2-CD2 3.48Å; F59-F89 HydrophobicContact CD2-CD2 3.48Å; F59-F89 VanDerWaalsContact CD2-CD2 3.48Å; F59-F89 HydrophobicContact CD2-CE2 4.09Å; F59-F89 HydrophobicContact CD2-CG 4.26Å; F59-F89 HydrophobicContact CE1-CB 3.49Å; F59-F89 VanDerWaalsContact CE1-CB 3.49Å; F59-F89 HydrophobicContact CE1-CD2 4.3Å; F59-F89 HydrophobicContact CE1-CG 4.18Å; F59-F89 HydrophobicContact CE2-CB 4.01Å; F59-F89 AromaticContact CE2-CD2 3.57Å; F59-F89 HydrophobicContact CE2-CD2 3.57Å; F59-F89 HydrophobicContact CE2-CG 4.21Å; F59-F89 HydrophobicContact CG-CB 4.42Å; F59-F89 AromaticContact CG-CD2 3.79Å; F59-F89 HydrophobicContact CG-CD2 3.79Å; F59-F89 HydrophobicContact CG-CE2 4.37Å; F59-F89 HydrophobicContact CG-CG 4.23Å; F59-F89 VanDerWaalsContact CZ-CA 3.48Å; F59-F89 HydrophobicContact CZ-CB 3.53Å; F59-F89 HydrophobicContact CZ-CD2 4.03Å; F59-F89 HydrophobicContact CZ-CG 4.2Å; T85-F89 PolarHBondContact O-N 3.35Å; I86-F89 WeakPolarHBondContact O-CB 3.39Å; I86-F89 PolarHBondContact O-N 3.27Å; T87-F89 VanDerWaalsContact C-N 3.32Å; F89-N91 VanDerWaalsContact C-N 3.3Å; F89-N91 PolarHBondContact O-N 3.1Å; F89-I92 PolarHBondContact O-N 3.37Å; F89-L93 HydrophobicContact CD1-CD1 4.02Å; F89-L93 HydrophobicContact CD2-CG 4.33Å; F89-L93 HydrophobicContact CE1-CD1 3.63Å; F89-L93 HydrophobicContact CE1-CG 4.38Å; F89-L93 HydrophobicContact CE2-CD1 4.2Å; F89-L93 HydrophobicContact CE2-CD2 4.05Å; F89-L93 HydrophobicContact CE2-CG 4.09Å; F89-L93 HydrophobicContact CG-CD1 4.46Å; F89-L93 HydrophobicContact CZ-CD1 3.72Å; F89-L93 HydrophobicContact CZ-CD2 4.13Å; F89-L93 HydrophobicContact CZ-CG 4.11Å; F89-L93 WeakPolarHBondContact O-CG 3.46Å; F89-L93 PolarHBondContact O-N 3.07Å; F89-L107 HydrophobicContact CD2-CD1 4.28Å; F89-L107 HydrophobicContact CE2-CD1 4.11Å; F89-L107 HydrophobicContact CE2-CD2 4Å; F89-V244 HydrophobicContact CD1-CG1 4.02Å; F89-V244 HydrophobicContact CE1-CG1 4.27Å; F89-I245 HydrophobicContact CD1-CD1 4.17Å; F89-L247 HydrophobicContact CE1-CB 4.36Å; F89-A248 HydrophobicContact CE1-CB 3.95Å; F89-A248 HydrophobicContact CE2-CB 4.41Å; F89-A248 HydrophobicContact CZ-CB 3.74Å; F89-Y253 HydrophobicContact CZ-CD1 4.36Å; F89-Y253 HydrophobicContact CZ-CG 4.43Å
90	I	94.8	Very high	93.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-56.6	-45.9	176.4	-68.5	163.8	0	0	0	110.7	I86 T87 I92 L93 H94 L215 F218 V219 K241 V244	I86-I90 HydrophobicContact CG2-CD1 4.5Å; I86-I90 WeakPolarHBondContact O-CG1 3.4Å; I86-I90 PolarHBondContact O-N 3.47Å; T87-I90 WeakPolarHBondContact O-CB 3.32Å; T87-I90 PolarHBondContact O-N 3.11Å; I90-I92 VanDerWaalsContact C-N 3.35Å; I90-I92 PolarHBondContact O-N 3.5Å; I90-L93 PolarHBondContact O-N 3.36Å; I90-H94 WeakPolarHBondContact O-CB 3.45Å; I90-H94 PolarHBondContact O-N 3.45Å; I90-L215 HydrophobicContact CB-CD2 4.39Å; I90-L215 HydrophobicContact CG1-CD2 3.95Å; I90-L215 HydrophobicContact CG2-CB 4.3Å; I90-L215 HydrophobicContact CG2-CD2 3.98Å; I90-F218 HydrophobicContact CD1-CD2 4.2Å; I90-F218 HydrophobicContact CD1-CG 4.5Å; I90-F218 HydrophobicContact CG2-CB 4.04Å; I90-V219 HydrophobicContact CG2-CG2 3.89Å; I90-K241 HydrophobicContact CD1-CB 3.81Å; I90-K241 HydrophobicContact CD1-CD 3.8Å; I90-K241 HydrophobicContact CD1-CG 3.46Å; I90-K241 VanDerWaalsContact CD1-CG 3.46Å; I90-V244 HydrophobicContact CD1-CB 4.39Å; I90-V244 HydrophobicContact CD1-CG2 4.02Å; I90-V244 HydrophobicContact CG1-CB 4.08Å; I90-V244 HydrophobicContact CG1-CG1 3.77Å; I90-V244 HydrophobicContact CG1-CG2 4Å
91	N	93.6	Very high	92.9	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.059	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-41.1	179.6	-67.7	-26.3	0	0	0	112.1	T87 D88 F89 R95 Y119	T87-N91 PolarHBondContact O-N 3.45Å; T87-N91 PolarHBondContact O-ND2 2.94Å; D88-N91 PolarHBondContact O-N 3.16Å; F89-N91 VanDerWaalsContact C-N 3.3Å; F89-N91 PolarHBondContact O-N 3.1Å; N91-R95 WeakPolarHBondContact O-CB 3.45Å; N91-R95 PolarHBondContact O-N 3.3Å; N91-Y119 HydrophobicContact CB-CE2 4.03Å; N91-Y119 VanDerWaalsContact ND2-CZ 3.34Å; N91-Y119 PolarHBondContact ND2-OH 3.15Å; N91-Y119 VanDerWaalsContact ND2-OH 3.1Å
92	I	93	Very high	92.5	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-50.6	177.3	-67.1	156.9	0	0	0	110.4	V55 F59 D88 F89 I90 H94 R95 Y96 L107 W115	V55-I92 HydrophobicContact CG1-CD1 3.51Å; F59-I92 HydrophobicContact CE2-CD1 3.67Å; F59-I92 HydrophobicContact CZ-CD1 4.08Å; D88-I92 WeakPolarHBondContact O-CD1 3.46Å; D88-I92 VanDerWaalsContact O-CG1 3.26Å; D88-I92 WeakPolarHBondContact O-CG1 3.39Å; D88-I92 PolarHBondContact O-N 3.49Å; F89-I92 PolarHBondContact O-N 3.37Å; I90-I92 VanDerWaalsContact C-N 3.35Å; I90-I92 PolarHBondContact O-N 3.5Å; I92-H94 PolarHBondContact O-N 3.33Å; I92-R95 PolarHBondContact O-N 3.26Å; I92-Y96 HydrophobicContact CG2-CD2 4.02Å; I92-Y96 WeakPolarHBondContact O-CD2 3.43Å; I92-Y96 PolarHBondContact O-N 2.92Å; I92-Y96 VanDerWaalsContact O-N 3.1Å; I92-L107 HydrophobicContact CB-CD1 4.46Å; I92-L107 HydrophobicContact CD1-CD1 4.35Å; I92-L107 HydrophobicContact CG2-CB 4.02Å; I92-L107 HydrophobicContact CG2-CD1 3.65Å; I92-L107 HydrophobicContact CG2-CG 4.38Å; I92-W115 HydrophobicContact CD1-CD2 4.07Å; I92-W115 HydrophobicContact CD1-CG 4.14Å; I92-W115 VanDerWaalsContact CG1-CD1 3.46Å; I92-W115 HydrophobicContact CG1-CD2 4.26Å; I92-W115 HydrophobicContact CG1-CG 4.16Å; I92-W115 HydrophobicContact CG1-CZ2 4.41Å
93	L	93.6	Very high	92.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-51	179.9	-68.1	-176.1	0	0	0	111	F89 I90 R95 Y97 I104 L107 L215 V244 L247 Y253 L256	F89-L93 HydrophobicContact CD1-CD1 4.02Å; F89-L93 HydrophobicContact CD2-CG 4.33Å; F89-L93 HydrophobicContact CE1-CD1 3.63Å; F89-L93 HydrophobicContact CE1-CG 4.38Å; F89-L93 HydrophobicContact CE2-CD1 4.2Å; F89-L93 HydrophobicContact CE2-CD2 4.05Å; F89-L93 HydrophobicContact CE2-CG 4.09Å; F89-L93 HydrophobicContact CG-CD1 4.46Å; F89-L93 HydrophobicContact CZ-CD1 3.72Å; F89-L93 HydrophobicContact CZ-CD2 4.13Å; F89-L93 HydrophobicContact CZ-CG 4.11Å; F89-L93 WeakPolarHBondContact O-CG 3.46Å; F89-L93 PolarHBondContact O-N 3.07Å; I90-L93 PolarHBondContact O-N 3.36Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 3.28Å; L93-Y97 WeakPolarHBondContact O-CB 3.43Å; L93-Y97 PolarHBondContact O-N 3.18Å; L93-I104 HydrophobicContact CD2-CD1 3.66Å; L93-L107 HydrophobicContact CD2-CD2 4.18Å; L93-L215 HydrophobicContact CB-CD1 4.05Å; L93-L215 HydrophobicContact CD1-CD1 4.26Å; L93-V244 HydrophobicContact CD1-CG1 4.21Å; L93-L247 HydrophobicContact CD1-CD1 4.2Å; L93-Y253 HydrophobicContact CD2-CG 4.47Å; L93-L256 HydrophobicContact CB-CD1 3.98Å; L93-L256 HydrophobicContact CD1-CD2 4.47Å
94	H	93.9	Very high	91.8	Very high	40 Å²	40	43.1 Å²	43.1	19%	0.185	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-35	-178.2	-174.8	-106.1	0	0	0	113	I90 I92 Y212 L215 G216 V219	I90-H94 WeakPolarHBondContact O-CB 3.45Å; I90-H94 PolarHBondContact O-N 3.45Å; I92-H94 PolarHBondContact O-N 3.33Å; H94-Y212 AromaticContact CD2-CE2 3.65Å; H94-Y212 AromaticContact CD2-CZ 3.96Å; H94-Y212 AromaticContact NE2-CZ 3.91Å; H94-L215 HydrophobicContact CB-CB 4.41Å; H94-G216 VanDerWaalsContact CD2-CA 3.47Å; H94-G216 WeakPolarHBondContact CD2-CA 3.14Å; H94-G216 PolarHBondContact CD2-N 2.94Å; H94-G216 VanDerWaalsContact NE2-CA 3.25Å; H94-G216 WeakPolarHBondContact NE2-CA 3.5Å; H94-V219 HydrophobicContact CB-CG2 4.06Å
95	R	92.4	Very high	91.3	Very high	120 Å²	120	50 Å²	50	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-73.1	-40.8	-178.4	-174.7	171.2	-174.6	131.7	-4.1	113.2	N91 I92 L93	N91-R95 WeakPolarHBondContact O-CB 3.45Å; N91-R95 PolarHBondContact O-N 3.3Å; I92-R95 PolarHBondContact O-N 3.26Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 3.28Å
96	Y	91.9	Very high	91	Very high	32 Å²	32	51.8 Å²	51.8	13%	0.125	25%	0.25	C	C	.	.	H	α-helix	trans	-106.1	-12.5	-170.3	-63.6	-68.2	0	0	0	114.2	I92 K98 E106	I92-Y96 HydrophobicContact CG2-CD2 4.02Å; I92-Y96 WeakPolarHBondContact O-CD2 3.43Å; I92-Y96 PolarHBondContact O-N 2.92Å; I92-Y96 VanDerWaalsContact O-N 3.1Å; Y96-K98 PolarHBondContact O-N 3.47Å; Y96-E106 HydrophobicContact CD1-CB 3.95Å; Y96-E106 HydrophobicContact CD1-CG 3.56Å; Y96-E106 VanDerWaalsContact CD1-OE1 3.29Å; Y96-E106 WeakPolarHBondContact CD1-OE1 3.39Å; Y96-E106 HydrophobicContact CD2-CB 3.85Å; Y96-E106 HydrophobicContact CD2-CG 4.39Å; Y96-E106 HydrophobicContact CE1-CB 4.01Å; Y96-E106 HydrophobicContact CE1-CG 3.54Å; Y96-E106 HydrophobicContact CE2-CB 3.9Å; Y96-E106 HydrophobicContact CE2-CG 4.36Å; Y96-E106 HydrophobicContact CG-CB 3.87Å; Y96-E106 HydrophobicContact CG-CG 4.01Å
97	Y	93.3	Very high	90.6	Very high	11 Å²	11	51.2 Å²	51.2	4%	0.043	25%	0.246	C	C	.	.			trans	-60.8	129.7	173.7	-176.1	-104.2	0	0	0	111.4	L93 P100 I104 Y212 N254 L256 D257	L93-Y97 WeakPolarHBondContact O-CB 3.43Å; L93-Y97 PolarHBondContact O-N 3.18Å; Y97-P100 WeakPolarHBondContact OH-CD 3.04Å; Y97-P100 WeakPolarHBondContact OH-CG 3.08Å; Y97-I104 HydrophobicContact CD2-CD1 4.39Å; Y97-Y212 AromaticContact CD1-CD2 3.41Å; Y97-Y212 HydrophobicContact CD1-CD2 3.41Å; Y97-Y212 VanDerWaalsContact CD1-CD2 3.41Å; Y97-Y212 AromaticContact CD1-CE2 3.91Å; Y97-Y212 HydrophobicContact CD1-CE2 3.91Å; Y97-Y212 AromaticContact CD1-CG 3.97Å; Y97-Y212 HydrophobicContact CD1-CG 3.97Å; Y97-Y212 HydrophobicContact CE1-CD2 4.18Å; Y97-Y212 HydrophobicContact CE1-CG 4.3Å; Y97-Y212 HydrophobicContact CG-CD2 4.12Å; Y97-N254 WeakPolarHBondContact CE2-O 3.38Å; Y97-L256 HydrophobicContact CD1-CB 4.18Å; Y97-L256 HydrophobicContact CD1-CD1 4.23Å; Y97-L256 HydrophobicContact CD2-CB 3.96Å; Y97-L256 HydrophobicContact CD2-CD1 3.55Å; Y97-L256 HydrophobicContact CD2-CG 3.61Å; Y97-L256 HydrophobicContact CE1-CB 3.92Å; Y97-L256 HydrophobicContact CE2-CB 3.71Å; Y97-L256 HydrophobicContact CE2-CD1 4.17Å; Y97-L256 HydrophobicContact CE2-CG 3.71Å; Y97-L256 HydrophobicContact CG-CB 4.17Å; Y97-L256 HydrophobicContact CG-CD1 3.57Å; Y97-L256 HydrophobicContact CG-CG 4.04Å; Y97-L256 PolarHBondContact OH-N 3.06Å; Y97-D257 WeakPolarHBondContact CE1-OD1 3.4Å; Y97-D257 PolarHBondContact OH-N 3.24Å; Y97-D257 PolarHBondContact OH-OD1 3.05Å; Y97-D257 PolarHBondContact OH-OD2 3.14Å
98	K	89.8	Confident	90.1	Very high	160 Å²	160	51 Å²	51	70%	0.696	24%	0.242	S	C	*	.			trans	-120	-53.3	176.8	-59.8	-58.7	178.1	-167.4	0	111.7	Y96	Y96-K98 PolarHBondContact O-N 3.47Å
99	S	90.1	Very high	89.8	Confident	36 Å²	36	56.5 Å²	56.5	25%	0.252	27%	0.267	S	S	.	.			trans	-160.4	163.5	177.7	74.6	0	0	0	0	110.4	L101 V102	S99-L101 PolarHBondContact O-N 3.19Å; S99-L101 VanDerWaalsContact O-N 3.11Å; S99-L101 PolarHBondContact OG-N 3.31Å; S99-V102 PolarHBondContact O-N 2.83Å
100	P	88.1	Confident	89.8	Confident	48 Å²	48	58.4 Å²	58.4	31%	0.312	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.2	177.4	-23.2	33.1	0	0	0	115.1	Y97 N254 N255 D257	Y97-P100 WeakPolarHBondContact OH-CD 3.04Å; Y97-P100 WeakPolarHBondContact OH-CG 3.08Å; P100-N254 WeakPolarHBondContact CA-O 3.49Å; P100-N255 HydrophobicContact CB-CB 4.24Å; P100-D257 WeakPolarHBondContact CD-OD2 3.48Å; P100-D257 HydrophobicContact CG-CB 4.17Å; P100-D257 WeakPolarHBondContact CG-OD2 3.23Å
101	L	86.4	Confident	89.8	Confident	167 Å²	167	62.5 Å²	62.5	87%	0.874	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.8	-176	-60.2	176.9	0	0	0	112.8	S99	S99-L101 PolarHBondContact O-N 3.19Å; S99-L101 VanDerWaalsContact O-N 3.11Å; S99-L101 PolarHBondContact OG-N 3.31Å
102	V	87	Confident	89.9	Confident	66 Å²	66	62 Å²	62	40%	0.4	29%	0.291	S	S	.	.	S	Bend	trans	-110.1	120.5	-176.3	-179.5	0	0	0	0	108.4	S99 Y105	S99-V102 PolarHBondContact O-N 2.83Å; V102-Y105 HydrophobicContact CG1-CE2 4.41Å
103	Q	85.1	Confident	90	Very high	96 Å²	96	63.7 Å²	63.7	45%	0.449	30%	0.299	S	S	.	.			trans	-65.2	147	174.4	-65.5	-179.7	6.9	0	0	110.5	Y105	Q103-Y105 VanDerWaalsContact C-N 3.28Å; Q103-Y105 HydrophobicContact CB-CE1 4.48Å; Q103-Y105 VanDerWaalsContact O-CD2 3.28Å; Q103-Y105 WeakPolarHBondContact O-CD2 3.28Å; Q103-Y105 PolarHBondContact O-N 2.73Å
104	I	88.6	Confident	89.9	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	31%	0.314	C	S	.	.			trans	-81.9	79.3	175.5	-51.7	178.3	0	0	0	108.2	L93 Y97 E106 L107 E108	L93-I104 HydrophobicContact CD2-CD1 3.66Å; Y97-I104 HydrophobicContact CD2-CD1 4.39Å; I104-E106 PolarHBondContact O-N 3.46Å; I104-L107 HydrophobicContact CB-CB 4.18Å; I104-L107 HydrophobicContact CG2-CB 3.76Å; I104-L107 WeakPolarHBondContact O-CB 3.26Å; I104-L107 PolarHBondContact O-N 3.08Å; I104-E108 PolarHBondContact O-N 2.75Å
105	Y	86.1	Confident	89.8	Confident	144 Å²	144	64.4 Å²	64.4	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-55.9	-36.9	-176.1	-66.8	-76.2	0	0	0	112.4	V102 Q103 L107 E108 E109	V102-Y105 HydrophobicContact CG1-CE2 4.41Å; Q103-Y105 VanDerWaalsContact C-N 3.28Å; Q103-Y105 HydrophobicContact CB-CE1 4.48Å; Q103-Y105 VanDerWaalsContact O-CD2 3.28Å; Q103-Y105 WeakPolarHBondContact O-CD2 3.28Å; Q103-Y105 PolarHBondContact O-N 2.73Å; Y105-L107 VanDerWaalsContact C-N 3.28Å; Y105-L107 PolarHBondContact O-N 3.14Å; Y105-E108 PolarHBondContact O-N 2.91Å; Y105-E109 WeakPolarHBondContact O-CB 3.32Å; Y105-E109 PolarHBondContact O-N 3.18Å
106	E	87.4	Confident	89.7	Confident	64 Å²	64	60.5 Å²	60.5	30%	0.299	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-32.7	179.9	-60.8	90.5	159.2	0	0	112.1	Y96 I104 E108 H110	Y96-E106 HydrophobicContact CD1-CB 3.95Å; Y96-E106 HydrophobicContact CD1-CG 3.56Å; Y96-E106 VanDerWaalsContact CD1-OE1 3.29Å; Y96-E106 WeakPolarHBondContact CD1-OE1 3.39Å; Y96-E106 HydrophobicContact CD2-CB 3.85Å; Y96-E106 HydrophobicContact CD2-CG 4.39Å; Y96-E106 HydrophobicContact CE1-CB 4.01Å; Y96-E106 HydrophobicContact CE1-CG 3.54Å; Y96-E106 HydrophobicContact CE2-CB 3.9Å; Y96-E106 HydrophobicContact CE2-CG 4.36Å; Y96-E106 HydrophobicContact CG-CB 3.87Å; Y96-E106 HydrophobicContact CG-CG 4.01Å; I104-E106 PolarHBondContact O-N 3.46Å; E106-E108 VanDerWaalsContact C-N 3.31Å; E106-H110 WeakPolarHBondContact O-CB 3.38Å; E106-H110 PolarHBondContact O-N 2.91Å
107	L	85.6	Confident	89.5	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-33.8	174.9	-179.9	69.1	0	0	0	111.3	V55 K56 F59 F89 I92 L93 I104 Y105 Y253	V55-L107 HydrophobicContact CG1-CD1 3.81Å; K56-L107 WeakPolarHBondContact CB-O 3.49Å; K56-L107 PolarHBondContact N-O 3.15Å; F59-L107 HydrophobicContact CD2-CD1 4.18Å; F59-L107 HydrophobicContact CE2-CD1 4.28Å; F89-L107 HydrophobicContact CD2-CD1 4.28Å; F89-L107 HydrophobicContact CE2-CD1 4.11Å; F89-L107 HydrophobicContact CE2-CD2 4Å; I92-L107 HydrophobicContact CB-CD1 4.46Å; I92-L107 HydrophobicContact CD1-CD1 4.35Å; I92-L107 HydrophobicContact CG2-CB 4.02Å; I92-L107 HydrophobicContact CG2-CD1 3.65Å; I92-L107 HydrophobicContact CG2-CG 4.38Å; L93-L107 HydrophobicContact CD2-CD2 4.18Å; I104-L107 HydrophobicContact CB-CB 4.18Å; I104-L107 HydrophobicContact CG2-CB 3.76Å; I104-L107 WeakPolarHBondContact O-CB 3.26Å; I104-L107 PolarHBondContact O-N 3.08Å; Y105-L107 VanDerWaalsContact C-N 3.28Å; Y105-L107 PolarHBondContact O-N 3.14Å; L107-Y253 HydrophobicContact CD2-CD2 3.7Å; L107-Y253 HydrophobicContact CD2-CE2 3.64Å; L107-Y253 HydrophobicContact CD2-CG 4.24Å
108	E	83.4	Confident	89.1	Confident	46 Å²	46	66.3 Å²	66.3	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-77.9	-45.6	-177.8	-54	-133	158	0	0	112.3	K56 I104 Y105 E106	K56-E108 HydrophobicContact CD-CB 4.33Å; K56-E108 HydrophobicContact CD-CG 4.1Å; K56-E108 IonicContact NZ-OE1 2.74Å; K56-E108 PolarHBondContact NZ-OE1 3.03Å; K56-E108 IonicContact NZ-OE2 2.71Å; K56-E108 PolarHBondContact NZ-OE2 3.18Å; I104-E108 PolarHBondContact O-N 2.75Å; Y105-E108 PolarHBondContact O-N 2.91Å; E106-E108 VanDerWaalsContact C-N 3.31Å
109	E	88.8	Confident	88.7	Confident	135 Å²	135	62.2 Å²	62.2	63%	0.631	30%	0.303	S	S	*	.	H	α-helix	trans	-89.9	-33.5	-171.2	-67.5	-59.7	140.6	0	0	113.2	Y105 K111	Y105-E109 WeakPolarHBondContact O-CB 3.32Å; Y105-E109 PolarHBondContact O-N 3.18Å; E109-K111 PolarHBondContact O-N 3.42Å
110	H	92.4	Very high	88.2	Confident	43 Å²	43	62.3 Å²	62.3	20%	0.199	30%	0.301	C	S	.	.			trans	-64.2	143	-176.5	-73.4	-171.7	0	0	0	112	Q54 V55 E106 W115	Q54-H110 WeakPolarHBondContact CA-O 3.41Å; V55-H110 HydrophobicContact CG2-CB 4.16Å; V55-H110 WeakPolarHBondContact CG2-O 3.42Å; V55-H110 PolarHBondContact N-O 2.94Å; E106-H110 WeakPolarHBondContact O-CB 3.38Å; E106-H110 PolarHBondContact O-N 2.91Å; H110-W115 HydrophobicContact CB-CB 4.39Å
111	K	95.5	Very high	87.3	Confident	87 Å²	87	67.1 Å²	67.1	38%	0.378	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-86	160.7	161	-60.5	178.5	176.5	-178.3	0	110.1	S52 L53 V55 E109 E113 T114 W115	S52-K111 VanDerWaalsContact O-CD 3.32Å; S52-K111 WeakPolarHBondContact O-CD 3.13Å; S52-K111 WeakPolarHBondContact O-CG 3.2Å; L53-K111 WeakPolarHBondContact O-CA 3.35Å; V55-K111 VanDerWaalsContact CG2-C 3.48Å; V55-K111 WeakPolarHBondContact CG2-O 3.35Å; E109-K111 PolarHBondContact O-N 3.42Å; K111-E113 VanDerWaalsContact C-N 3.26Å; K111-E113 HydrophobicContact CB-CG 4.05Å; K111-E113 HydrophobicContact CD-CG 4.49Å; K111-E113 WeakPolarHBondContact CD-OE1 3.43Å; K111-E113 IonicContact NZ-OE1 3.99Å; K111-E113 PolarHBondContact O-N 2.98Å; K111-T114 PolarHBondContact N-OG1 3.4Å; K111-T114 PolarHBondContact O-N 2.6Å; K111-T114 PolarHBondContact O-OG1 2.75Å; K111-W115 PolarHBondContact O-N 3.46Å
112	I	95.5	Very high	86.3	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.3	-42.5	176.1	-64.9	166	0	0	0	110.5	F49 T51 L53 V55 A58 L72 L84 W115 R116	F49-I112 HydrophobicContact CB-CD1 3.84Å; F49-I112 HydrophobicContact CD2-CD1 4.46Å; F49-I112 HydrophobicContact CG-CD1 4.46Å; T51-I112 CarbonylContact O-C 3.57Å; T51-I112 WeakPolarHBondContact O-CB 3.48Å; T51-I112 PolarHBondContact O-N 3.32Å; L53-I112 HydrophobicContact CB-CD1 4.1Å; L53-I112 WeakPolarHBondContact O-CG1 3.42Å; L53-I112 PolarHBondContact O-N 3.35Å; V55-I112 HydrophobicContact CG2-CG1 4.23Å; A58-I112 HydrophobicContact CB-CD1 3.86Å; A58-I112 HydrophobicContact CB-CG1 4.36Å; L72-I112 HydrophobicContact CD1-CG2 3.58Å; L72-I112 HydrophobicContact CD2-CD1 3.89Å; L72-I112 HydrophobicContact CD2-CG2 3.86Å; L72-I112 HydrophobicContact CG-CG2 4.32Å; L84-I112 HydrophobicContact CD2-CD1 4.22Å; I112-W115 PolarHBondContact O-N 2.91Å; I112-R116 HydrophobicContact CG2-CG 4.3Å; I112-R116 WeakPolarHBondContact O-CB 3.34Å; I112-R116 VanDerWaalsContact O-CG 3.24Å; I112-R116 WeakPolarHBondContact O-CG 3.26Å; I112-R116 PolarHBondContact O-N 3.49Å
113	E	94.4	Very high	85.4	Confident	39 Å²	39	65.1 Å²	65.1	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-51.7	177	66.4	-173.5	154.6	0	0	111.5	T51 K76 K111 W115 R116 E117	T51-E113 PolarHBondContact O-N 3.3Å; K76-E113 IonicContact NZ-OE2 4Å; K76-E113 PolarHBondContact NZ-OE2 3.46Å; K111-E113 VanDerWaalsContact C-N 3.26Å; K111-E113 HydrophobicContact CB-CG 4.05Å; K111-E113 HydrophobicContact CD-CG 4.49Å; K111-E113 WeakPolarHBondContact CD-OE1 3.43Å; K111-E113 IonicContact NZ-OE1 3.99Å; K111-E113 PolarHBondContact O-N 2.98Å; E113-W115 PolarHBondContact O-N 3.44Å; E113-R116 PolarHBondContact O-N 3.1Å; E113-E117 WeakPolarHBondContact O-CG 3.31Å; E113-E117 PolarHBondContact O-N 3.24Å
114	T	93.1	Very high	84.8	Confident	50 Å²	50	69.2 Å²	69.2	31%	0.307	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-39	-177.4	50.8	0	0	0	0	112.5	K111 V118	K111-T114 PolarHBondContact N-OG1 3.4Å; K111-T114 PolarHBondContact O-N 2.6Å; K111-T114 PolarHBondContact O-OG1 2.75Å; T114-V118 WeakPolarHBondContact O-CG2 3.27Å; T114-V118 PolarHBondContact O-N 3.46Å
115	W	90.8	Very high	84.3	Confident	5 Å²	5	74 Å²	74	2%	0.019	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-41.4	176.4	168.1	72.9	0	0	0	111.5	V55 L84 D88 I92 H110 K111 I112 E113 E117 V118 Y119	V55-W115 HydrophobicContact CG2-CB 4.06Å; L84-W115 HydrophobicContact CD1-CZ3 4.32Å; D88-W115 HydrophobicContact CB-CH2 3.38Å; D88-W115 HydrophobicContact CB-CZ2 3.8Å; D88-W115 HydrophobicContact CB-CZ3 3.92Å; D88-W115 VanDerWaalsContact CG-CH2 3.44Å; D88-W115 WeakPolarHBondContact OD1-CH2 3.32Å; I92-W115 HydrophobicContact CD1-CD2 4.07Å; I92-W115 HydrophobicContact CD1-CG 4.14Å; I92-W115 VanDerWaalsContact CG1-CD1 3.46Å; I92-W115 HydrophobicContact CG1-CD2 4.26Å; I92-W115 HydrophobicContact CG1-CG 4.16Å; I92-W115 HydrophobicContact CG1-CZ2 4.41Å; H110-W115 HydrophobicContact CB-CB 4.39Å; K111-W115 PolarHBondContact O-N 3.46Å; I112-W115 PolarHBondContact O-N 2.91Å; E113-W115 PolarHBondContact O-N 3.44Å; W115-E117 VanDerWaalsContact C-N 3.33Å; W115-E117 PolarHBondContact O-N 3.32Å; W115-V118 PolarHBondContact O-N 3.15Å; W115-Y119 HydrophobicContact CH2-CD1 4.29Å; W115-Y119 HydrophobicContact CH2-CG 4.48Å; W115-Y119 HydrophobicContact CZ2-CD1 4.12Å; W115-Y119 HydrophobicContact CZ2-CD2 4.36Å; W115-Y119 AromaticContact CZ2-CG 3.9Å; W115-Y119 HydrophobicContact CZ2-CG 3.9Å; W115-Y119 WeakPolarHBondContact O-CB 3.36Å; W115-Y119 PolarHBondContact O-N 3.48Å
116	R	89.8	Confident	84.3	Confident	37 Å²	37	71.1 Å²	71.1	14%	0.14	35%	0.346	C	S	.	.	H	α-helix	trans	-63	-40.5	177.7	-77.4	177.1	65.6	75.3	1.3	111.8	V81 I112 E113 Y119 L120	V81-R116 PolarHBondContact O-NH2 3.35Å; I112-R116 HydrophobicContact CG2-CG 4.3Å; I112-R116 WeakPolarHBondContact O-CB 3.34Å; I112-R116 VanDerWaalsContact O-CG 3.24Å; I112-R116 WeakPolarHBondContact O-CG 3.26Å; I112-R116 PolarHBondContact O-N 3.49Å; E113-R116 PolarHBondContact O-N 3.1Å; R116-Y119 PolarHBondContact O-N 3.13Å; R116-L120 HydrophobicContact CB-CD1 4.21Å; R116-L120 WeakPolarHBondContact O-CA 3.44Å; R116-L120 WeakPolarHBondContact O-CB 3.45Å; R116-L120 VanDerWaalsContact O-CG 3.28Å; R116-L120 WeakPolarHBondContact O-CG 3.38Å; R116-L120 PolarHBondContact O-N 3.42Å
117	E	87.6	Confident	84.6	Confident	124 Å²	124	70 Å²	70	58%	0.579	34%	0.342	S	S	*	.	H	α-helix	trans	-60.2	-49	175.8	-73.9	173.7	179.1	0	0	111.1	E113 W115 Y119 Q121	E113-E117 WeakPolarHBondContact O-CG 3.31Å; E113-E117 PolarHBondContact O-N 3.24Å; W115-E117 VanDerWaalsContact C-N 3.33Å; W115-E117 PolarHBondContact O-N 3.32Å; E117-Y119 VanDerWaalsContact C-N 3.33Å; E117-Y119 PolarHBondContact O-N 3.48Å; E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 WeakPolarHBondContact O-CG 3.33Å; E117-Q121 PolarHBondContact O-N 2.95Å
118	V	86.6	Confident	85.1	Confident	41 Å²	41	71.4 Å²	71.4	25%	0.248	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-37.8	178.2	174.7	0	0	0	0	112.5	T114 W115	T114-V118 WeakPolarHBondContact O-CG2 3.27Å; T114-V118 PolarHBondContact O-N 3.46Å; W115-V118 PolarHBondContact O-N 3.15Å
119	Y	81.6	Confident	85.7	Confident	74 Å²	74	72.3 Å²	72.3	29%	0.29	36%	0.362	S	S	.	.	H	α-helix	trans	-83.1	-32.6	-176.9	-174.8	-100	0	0	0	113.6	N91 W115 R116 E117	N91-Y119 HydrophobicContact CB-CE2 4.03Å; N91-Y119 VanDerWaalsContact ND2-CZ 3.34Å; N91-Y119 PolarHBondContact ND2-OH 3.15Å; N91-Y119 VanDerWaalsContact ND2-OH 3.1Å; W115-Y119 HydrophobicContact CH2-CD1 4.29Å; W115-Y119 HydrophobicContact CH2-CG 4.48Å; W115-Y119 HydrophobicContact CZ2-CD1 4.12Å; W115-Y119 HydrophobicContact CZ2-CD2 4.36Å; W115-Y119 AromaticContact CZ2-CG 3.9Å; W115-Y119 HydrophobicContact CZ2-CG 3.9Å; W115-Y119 WeakPolarHBondContact O-CB 3.36Å; W115-Y119 PolarHBondContact O-N 3.48Å; R116-Y119 PolarHBondContact O-N 3.13Å; E117-Y119 VanDerWaalsContact C-N 3.33Å; E117-Y119 PolarHBondContact O-N 3.48Å
120	L	77.8	Confident	86.2	Confident	39 Å²	39	66.7 Å²	66.7	20%	0.204	34%	0.336	C	S	.	.	H	α-helix	trans	-96.1	-0.5	-177.5	-60.3	173.3	0	0	0	113.3	R116 D122 S123 K125	R116-L120 HydrophobicContact CB-CD1 4.21Å; R116-L120 WeakPolarHBondContact O-CA 3.44Å; R116-L120 WeakPolarHBondContact O-CB 3.45Å; R116-L120 VanDerWaalsContact O-CG 3.28Å; R116-L120 WeakPolarHBondContact O-CG 3.38Å; R116-L120 PolarHBondContact O-N 3.42Å; L120-D122 PolarHBondContact O-N 3.08Å; L120-D122 VanDerWaalsContact O-N 3.15Å; L120-S123 CarbonylContact O-C 3.46Å; L120-S123 VanDerWaalsContact O-C 3.25Å; L120-S123 PolarHBondContact O-N 3.17Å; L120-S123 VanDerWaalsContact O-O 3.11Å; L120-K125 HydrophobicContact CD2-CB 4.41Å
121	Q	70.3	Confident	86.5	Confident	149 Å²	149	66.4 Å²	66.4	70%	0.696	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-36.8	172.2	-98.8	166.7	13.6	0	0	112.1	E117	E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 WeakPolarHBondContact O-CG 3.33Å; E117-Q121 PolarHBondContact O-N 2.95Å
122	D	64.1	Low	86.6	Confident	144 Å²	144	62.6 Å²	62.6	77%	0.77	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.3	-178.9	-58.1	-37.6	0	0	0	113.9	L120	L120-D122 PolarHBondContact O-N 3.08Å; L120-D122 VanDerWaalsContact O-N 3.15Å
123	S	69.5	Low	86.7	Confident	46 Å²	46	67.3 Å²	67.3	32%	0.322	35%	0.348	S	S	.	.			trans	-161.3	118.3	177.7	58.7	0	0	0	0	113.1	L120 K125	L120-S123 CarbonylContact O-C 3.46Å; L120-S123 VanDerWaalsContact O-C 3.25Å; L120-S123 PolarHBondContact O-N 3.17Å; L120-S123 VanDerWaalsContact O-O 3.11Å; S123-K125 PolarHBondContact O-N 2.98Å; S123-K125 WeakPolarHBondContact OG-CE 3.48Å
124	F	71.2	Confident	86.9	Confident	182 Å²	182	66.6 Å²	66.6	80%	0.798	35%	0.349	S	S	*	.			trans	-70.2	117.8	169.3	-176.6	-101	0	0	0	110	P126	F124-P126 HydrophobicContact CD1-CG 4.48Å; F124-P126 HydrophobicContact CE1-CB 3.81Å; F124-P126 HydrophobicContact CE1-CG 4.05Å; F124-P126 HydrophobicContact CZ-CB 4.27Å
125	K	79.4	Confident	87.1	Confident	103 Å²	103	65 Å²	65	45%	0.448	34%	0.34	S	S	.	.			trans	-120.9	97.8	176.3	-69.3	179.3	-177.2	166.8	0	109.3	L120 S123	L120-K125 HydrophobicContact CD2-CB 4.41Å; S123-K125 PolarHBondContact O-N 2.98Å; S123-K125 WeakPolarHBondContact OG-CE 3.48Å
126	P	86.1	Confident	87.3	Confident	83 Å²	83	64.8 Å²	64.8	54%	0.539	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-63.7	154.5	177.2	26.8	-32	0	0	0	110.3	F124 V128	F124-P126 HydrophobicContact CD1-CG 4.48Å; F124-P126 HydrophobicContact CE1-CB 3.81Å; F124-P126 HydrophobicContact CE1-CG 4.05Å; F124-P126 HydrophobicContact CZ-CB 4.27Å; P126-V128 PolarHBondContact O-N 3.34Å
127	L	92.9	Very high	87.6	Confident	40 Å²	40	65.4 Å²	65.4	21%	0.209	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-62.2	124.7	172	176.9	61.2	0	0	0	109.4	F80 M83 P152 I154	F80-L127 HydrophobicContact CB-CD2 3.56Å; M83-L127 HydrophobicContact CG-CD1 3.91Å; M83-L127 HydrophobicContact SD-CD1 4.41Å; L127-P152 HydrophobicContact CD1-CG 3.96Å; L127-P152 HydrophobicContact CG-CG 4.5Å; L127-I154 HydrophobicContact CD2-CD1 4.27Å
128	V	96.1	Very high	88.1	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.2	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-90.7	121.7	168.8	-176.8	0	0	0	0	107.5	P126 S142 H146 I148 L151 P152	P126-V128 PolarHBondContact O-N 3.34Å; V128-S142 WeakPolarHBondContact CG1-OG 3.4Å; V128-H146 HydrophobicContact CG2-CB 4.22Å; V128-I148 HydrophobicContact CB-CD1 3.9Å; V128-I148 HydrophobicContact CG1-CD1 4Å; V128-L151 HydrophobicContact CG1-CD1 3.88Å; V128-P152 VanDerWaalsContact O-CD 3.31Å; V128-P152 WeakPolarHBondContact O-CD 3.5Å
129	C	96.9	Very high	88.6	Confident	64 Å²	64	61.3 Å²	61.3	43%	0.432	32%	0.322	S	S	.	.			trans	-134.1	169.6	176.9	63	0	0	0	0	110.4	P152 I154	C129-P152 WeakPolarHBondContact CA-O 3.36Å; C129-P152 HydrophobicContact CB-CG 4.02Å; C129-P152 WeakPolarHBondContact CB-O 3.37Å; C129-I154 HydrophobicContact CB-CB 4.47Å; C129-I154 HydrophobicContact CB-CD1 3.64Å; C129-I154 HydrophobicContact CB-CG1 3.96Å
130	I	98.2	Very high	89.3	Confident	17 Å²	17	57.8 Å²	57.8	9%	0.087	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-136.7	145.8	179	-166.3	160.4	0	0	0	111.7	C36 A134 D138 A139 L151 P152 V153 I154	C36-I130 VanDerWaalsContact SG-CD1 3.59Å; I130-A134 HydrophobicContact CD1-CB 3.85Å; I130-A134 HydrophobicContact CG1-CB 3.58Å; I130-D138 HydrophobicContact CD1-CB 4.05Å; I130-A139 VanDerWaalsContact CD1-CA 3.45Å; I130-A139 HydrophobicContact CD1-CB 3.65Å; I130-L151 HydrophobicContact CB-CD1 4.39Å; I130-L151 HydrophobicContact CB-CD2 4.01Å; I130-L151 HydrophobicContact CB-CG 4.2Å; I130-L151 HydrophobicContact CD1-CD2 4.22Å; I130-L151 HydrophobicContact CG2-CD1 4.45Å; I130-L151 HydrophobicContact CG2-CD2 3.73Å; I130-L151 HydrophobicContact CG2-CG 3.78Å; I130-P152 PolarHBondContact N-O 2.93Å; I130-V153 HydrophobicContact CG2-CB 4.46Å; I130-V153 HydrophobicContact CG2-CG2 3.96Å; I130-V153 CarbonylContact O-C 3.52Å; I130-V153 VanDerWaalsContact O-CA 3.28Å; I130-V153 WeakPolarHBondContact O-CA 3.46Å; I130-I154 PolarHBondContact O-N 3.22Å
131	S	98.3	Very high	90.2	Very high	37 Å²	37	57.6 Å²	57.6	26%	0.259	31%	0.31	S	S	.	.			trans	-71	143.7	174.3	172.4	0	0	0	0	110.7	N133 A134	S131-N133 PolarHBondContact O-N 3.28Å; S131-N133 VanDerWaalsContact O-N 3.14Å; S131-N133 PolarHBondContact OG-N 2.84Å; S131-A134 WeakPolarHBondContact O-CB 3.28Å; S131-A134 PolarHBondContact O-N 3.4Å; S131-A134 VanDerWaalsContact O-N 3.07Å
132	P	97.9	Very high	91.4	Very high	8 Å²	8	51.4 Å²	51.4	5%	0.052	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.2	172.5	24	-34.2	0	0	0	113	C36 Y37 V153 I154 D155 L162	C36-P132 PolarHBondContact N-O 3.02Å; Y37-P132 WeakPolarHBondContact CB-O 3.43Å; Y37-P132 HydrophobicContact CD2-CB 4.15Å; Y37-P132 PolarHBondContact N-O 3.14Å; P132-V153 HydrophobicContact CB-CG1 3.87Å; P132-I154 WeakPolarHBondContact CD-O 3.24Å; P132-D155 HydrophobicContact CG-CB 4.48Å; P132-L162 HydrophobicContact CB-CD1 3.98Å; P132-L162 HydrophobicContact CG-CD1 4.01Å
133	N	97.8	Very high	92.9	Very high	98 Å²	98	44.6 Å²	44.6	52%	0.524	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.1	179.4	-68.9	-43.3	0	0	0	114	R35 S131	R35-N133 PolarHBondContact NH1-OD1 3.14Å; S131-N133 PolarHBondContact O-N 3.28Å; S131-N133 VanDerWaalsContact O-N 3.14Å; S131-N133 PolarHBondContact OG-N 2.84Å
134	A	98.3	Very high	94.1	Very high	24 Å²	24	44.1 Å²	44.1	20%	0.198	24%	0.241	C	C	.	.	S	Bend	trans	-71.9	157.6	176	0	0	0	0	0	110.9	R35 C36 I130 S131	R35-A134 CarbonylContact C-O 3.56Å; R35-A134 WeakPolarHBondContact CA-O 3.27Å; C36-A134 PolarHBondContact N-O 3.31Å; C36-A134 PolarHBondContact SG-O 3.22Å; I130-A134 HydrophobicContact CD1-CB 3.85Å; I130-A134 HydrophobicContact CG1-CB 3.58Å; S131-A134 WeakPolarHBondContact O-CB 3.28Å; S131-A134 PolarHBondContact O-N 3.4Å; S131-A134 VanDerWaalsContact O-N 3.07Å
135	S	97.8	Very high	95.1	Very high	17 Å²	17	45.5 Å²	45.5	12%	0.119	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-72.8	158.9	-176.8	73.6	0	0	0	0	112.1	H34 Y137 D138 A139	H34-S135 CarbonylContact O-C 3.54Å; H34-S135 VanDerWaalsContact O-CA 3.29Å; H34-S135 WeakPolarHBondContact O-CA 3.44Å; S135-Y137 PolarHBondContact O-N 3.29Å; S135-Y137 PolarHBondContact OG-N 3.41Å; S135-D138 WeakPolarHBondContact CB-OD2 3.3Å; S135-D138 PolarHBondContact N-OD2 2.75Å; S135-D138 PolarHBondContact O-N 3.35Å; S135-D138 PolarHBondContact OG-N 3.48Å; S135-D138 VanDerWaalsContact OG-N 3.09Å; S135-D138 PolarHBondContact OG-OD2 2.69Å; S135-A139 PolarHBondContact O-N 3.11Å
136	L	96.4	Very high	95.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-29.4	170.6	-65.2	-179.7	0	0	0	112.2	M31 H34 L39 D138 A139 V140 F173	M31-L136 HydrophobicContact CB-CB 4.15Å; M31-L136 HydrophobicContact CG-CB 4.35Å; M31-L136 WeakPolarHBondContact O-CB 3.39Å; M31-L136 PolarHBondContact O-N 3.37Å; H34-L136 HydrophobicContact CB-CD1 3.57Å; H34-L136 HydrophobicContact CB-CG 3.99Å; H34-L136 PolarHBondContact O-N 3.24Å; L39-L136 HydrophobicContact CD1-CD1 3.44Å; L39-L136 VanDerWaalsContact CD1-CD1 3.44Å; L39-L136 HydrophobicContact CD1-CD2 3.67Å; L39-L136 HydrophobicContact CD1-CG 4.13Å; L39-L136 HydrophobicContact CD2-CD1 4.32Å; L39-L136 HydrophobicContact CD2-CD2 3.8Å; L39-L136 HydrophobicContact CG-CD2 4.25Å; L136-D138 VanDerWaalsContact C-N 3.35Å; L136-A139 WeakPolarHBondContact O-CB 3.36Å; L136-A139 PolarHBondContact O-N 3.1Å; L136-V140 WeakPolarHBondContact O-CG2 3.49Å; L136-V140 PolarHBondContact O-N 3.47Å; L136-F173 HydrophobicContact CD1-CD1 3.97Å; L136-F173 HydrophobicContact CD1-CE1 3.8Å
137	Y	95.7	Very high	96.1	Very high	51 Å²	51	49.6 Å²	49.6	20%	0.2	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-45.7	174.5	-179.8	-88.6	0	0	0	111.1	T28 M31 K32 S135 A139 V140 S141 V321	T28-Y137 HydrophobicContact CG2-CD2 3.86Å; T28-Y137 HydrophobicContact CG2-CE2 3.69Å; M31-Y137 PolarHBondContact O-N 3.16Å; K32-Y137 HydrophobicContact CG-CD1 4.4Å; K32-Y137 HydrophobicContact CG-CD2 4.23Å; K32-Y137 HydrophobicContact CG-CG 3.87Å; S135-Y137 PolarHBondContact O-N 3.29Å; S135-Y137 PolarHBondContact OG-N 3.41Å; Y137-A139 VanDerWaalsContact C-N 3.25Å; Y137-A139 PolarHBondContact O-N 3.23Å; Y137-V140 PolarHBondContact O-N 3.41Å; Y137-S141 WeakPolarHBondContact CE1-OG 3.08Å; Y137-S141 VanDerWaalsContact O-CB 3.28Å; Y137-S141 WeakPolarHBondContact O-CB 3.36Å; Y137-S141 PolarHBondContact O-N 3.37Å; Y137-S141 PolarHBondContact O-OG 3.47Å; Y137-V321 HydrophobicContact CD2-CG1 4.4Å; Y137-V321 HydrophobicContact CD2-CG2 4.45Å; Y137-V321 HydrophobicContact CE2-CB 4.48Å; Y137-V321 HydrophobicContact CE2-CG1 3.65Å; Y137-V321 HydrophobicContact CE2-CG2 4.42Å
138	D	97	Very high	96.1	Very high	79 Å²	79	50 Å²	50	42%	0.422	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-37	175.6	-59	-43.7	0	0	0	111.1	I130 S135 L136 S142	I130-D138 HydrophobicContact CD1-CB 4.05Å; S135-D138 WeakPolarHBondContact CB-OD2 3.3Å; S135-D138 PolarHBondContact N-OD2 2.75Å; S135-D138 PolarHBondContact O-N 3.35Å; S135-D138 PolarHBondContact OG-N 3.48Å; S135-D138 VanDerWaalsContact OG-N 3.09Å; S135-D138 PolarHBondContact OG-OD2 2.69Å; L136-D138 VanDerWaalsContact C-N 3.35Å; D138-S142 WeakPolarHBondContact O-CB 3.36Å; D138-S142 PolarHBondContact O-N 2.94Å
139	A	97.6	Very high	96	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-47.2	178.3	0	0	0	0	0	112.4	I130 S135 L136 Y137 S142 L143 L151 L165	I130-A139 VanDerWaalsContact CD1-CA 3.45Å; I130-A139 HydrophobicContact CD1-CB 3.65Å; S135-A139 PolarHBondContact O-N 3.11Å; L136-A139 WeakPolarHBondContact O-CB 3.36Å; L136-A139 PolarHBondContact O-N 3.1Å; Y137-A139 VanDerWaalsContact C-N 3.25Å; Y137-A139 PolarHBondContact O-N 3.23Å; A139-S142 PolarHBondContact O-N 3.31Å; A139-L143 WeakPolarHBondContact O-CG 3.39Å; A139-L143 PolarHBondContact O-N 3.08Å; A139-L151 HydrophobicContact CB-CD2 3.98Å; A139-L165 HydrophobicContact CB-CD2 3.55Å
140	V	96.6	Very high	96	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-47	175.7	177.8	0	0	0	0	110.2	M31 L136 Y137 S142 L143 L144 I170 L317 V321	M31-V140 HydrophobicContact SD-CG2 3.99Å; L136-V140 WeakPolarHBondContact O-CG2 3.49Å; L136-V140 PolarHBondContact O-N 3.47Å; Y137-V140 PolarHBondContact O-N 3.41Å; V140-S142 VanDerWaalsContact C-N 3.27Å; V140-S142 PolarHBondContact O-N 3.19Å; V140-L143 PolarHBondContact O-N 3.21Å; V140-L143 VanDerWaalsContact O-N 3.17Å; V140-L144 HydrophobicContact CG1-CD1 3.76Å; V140-L144 HydrophobicContact CG1-CG 4.19Å; V140-L144 VanDerWaalsContact O-CG 3.32Å; V140-L144 WeakPolarHBondContact O-CG 3.19Å; V140-L144 PolarHBondContact O-N 3.21Å; V140-I170 HydrophobicContact CG2-CD1 3.88Å; V140-I170 HydrophobicContact CG2-CG2 3.8Å; V140-L317 HydrophobicContact CG1-CB 3.95Å; V140-L317 HydrophobicContact CG2-CD2 4.33Å; V140-V321 HydrophobicContact CB-CG2 4.11Å; V140-V321 HydrophobicContact CG1-CG2 3.55Å
141	S	95.8	Very high	95.9	Very high	34 Å²	34	51.1 Å²	51.1	24%	0.238	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-42.4	177.4	-60.5	0	0	0	0	111.7	Y137 L144 R145	Y137-S141 WeakPolarHBondContact CE1-OG 3.08Å; Y137-S141 VanDerWaalsContact O-CB 3.28Å; Y137-S141 WeakPolarHBondContact O-CB 3.36Å; Y137-S141 PolarHBondContact O-N 3.37Å; Y137-S141 PolarHBondContact O-OG 3.47Å; S141-L144 PolarHBondContact O-N 3.04Å; S141-R145 WeakPolarHBondContact O-CB 3.29Å; S141-R145 PolarHBondContact O-N 2.67Å
142	S	96.4	Very high	95.9	Very high	19 Å²	19	49.4 Å²	49.4	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-45.6	176.5	-175.9	0	0	0	0	112.4	V128 D138 A139 V140 L144 H146	V128-S142 WeakPolarHBondContact CG1-OG 3.4Å; D138-S142 WeakPolarHBondContact O-CB 3.36Å; D138-S142 PolarHBondContact O-N 2.94Å; A139-S142 PolarHBondContact O-N 3.31Å; V140-S142 VanDerWaalsContact C-N 3.27Å; V140-S142 PolarHBondContact O-N 3.19Å; S142-L144 VanDerWaalsContact C-N 3.35Å; S142-L144 PolarHBondContact O-N 2.98Å; S142-H146 WeakPolarHBondContact O-CB 3.37Å; S142-H146 PolarHBondContact O-CD2 3.08Å; S142-H146 VanDerWaalsContact O-CD2 3.27Å; S142-H146 PolarHBondContact O-N 3.43Å
143	L	96	Very high	95.9	Very high	1 Å²	1	49 Å²	49	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-57.5	-46.7	175.9	-73.8	166.5	0	0	0	111.8	A139 V140 K147 I148 L151 I170	A139-L143 WeakPolarHBondContact O-CG 3.39Å; A139-L143 PolarHBondContact O-N 3.08Å; V140-L143 PolarHBondContact O-N 3.21Å; V140-L143 VanDerWaalsContact O-N 3.17Å; L143-K147 WeakPolarHBondContact O-CA 3.15Å; L143-K147 PolarHBondContact O-N 2.99Å; L143-K147 VanDerWaalsContact O-N 3.09Å; L143-I148 HydrophobicContact CD2-CG1 4.18Å; L143-I148 VanDerWaalsContact CD2-O 3.3Å; L143-I148 WeakPolarHBondContact CD2-O 3.39Å; L143-I148 PolarHBondContact O-N 3.49Å; L143-L151 HydrophobicContact CD2-CB 3.64Å; L143-L151 HydrophobicContact CG-CB 4.12Å; L143-L151 HydrophobicContact CG-CD2 4.28Å; L143-I170 HydrophobicContact CD1-CD1 3.52Å
144	L	93.8	Very high	95.9	Very high	37 Å²	37	45.4 Å²	45.4	19%	0.194	21%	0.213	C	C	.	.	H	α-helix	trans	-70.2	-51.2	-178.2	-64.5	175.8	0	0	0	111.9	V140 S141 S142 H146 K147 Q318	V140-L144 HydrophobicContact CG1-CD1 3.76Å; V140-L144 HydrophobicContact CG1-CG 4.19Å; V140-L144 VanDerWaalsContact O-CG 3.32Å; V140-L144 WeakPolarHBondContact O-CG 3.19Å; V140-L144 PolarHBondContact O-N 3.21Å; S141-L144 PolarHBondContact O-N 3.04Å; S142-L144 VanDerWaalsContact C-N 3.35Å; S142-L144 PolarHBondContact O-N 2.98Å; L144-H146 PolarHBondContact O-N 3.39Å; L144-K147 PolarHBondContact O-N 3.01Å; L144-K147 VanDerWaalsContact O-N 3.1Å; L144-Q318 HydrophobicContact CD1-CB 3.86Å; L144-Q318 HydrophobicContact CD1-CG 4.36Å; L144-Q318 HydrophobicContact CD2-CB 4.11Å
145	R	93.4	Very high	95.8	Very high	211 Å²	211	45.6 Å²	45.6	80%	0.796	21%	0.21	S	C	*	.	H	α-helix	trans	-60	-44.5	-178.2	-177.7	179.4	-179.6	176.8	1.3	112	S141 K147	S141-R145 WeakPolarHBondContact O-CB 3.29Å; S141-R145 PolarHBondContact O-N 2.67Å; R145-K147 VanDerWaalsContact C-N 3.3Å
146	H	92.4	Very high	95.6	Very high	90 Å²	90	49.1 Å²	49.1	42%	0.417	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2	-179.6	-64.7	-73.3	0	0	0	113.2	V128 S142 L144 I148	V128-H146 HydrophobicContact CG2-CB 4.22Å; S142-H146 WeakPolarHBondContact O-CB 3.37Å; S142-H146 PolarHBondContact O-CD2 3.08Å; S142-H146 VanDerWaalsContact O-CD2 3.27Å; S142-H146 PolarHBondContact O-N 3.43Å; L144-H146 PolarHBondContact O-N 3.39Å; H146-I148 HydrophobicContact CB-CD1 4.12Å; H146-I148 HydrophobicContact CB-CG1 4Å; H146-I148 HydrophobicContact CB-CG2 4.29Å; H146-I148 WeakPolarHBondContact O-CG2 3.49Å; H146-I148 PolarHBondContact O-N 3Å
147	K	92	Very high	95.5	Very high	182 Å²	182	56.7 Å²	56.7	79%	0.791	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	43.7	-178.2	-57.5	-176.6	-179.7	-176.3	0	112.1	L143 L144 R145	L143-K147 WeakPolarHBondContact O-CA 3.15Å; L143-K147 PolarHBondContact O-N 2.99Å; L143-K147 VanDerWaalsContact O-N 3.09Å; L144-K147 PolarHBondContact O-N 3.01Å; L144-K147 VanDerWaalsContact O-N 3.1Å; R145-K147 VanDerWaalsContact C-N 3.3Å
148	I	93.9	Very high	95.4	Very high	48 Å²	48	58.2 Å²	58.2	25%	0.246	29%	0.287	C	S	.	.			trans	-114.1	151.6	-178.6	56.8	174.1	0	0	0	110.9	V128 L143 H146 L151 H167	V128-I148 HydrophobicContact CB-CD1 3.9Å; V128-I148 HydrophobicContact CG1-CD1 4Å; L143-I148 HydrophobicContact CD2-CG1 4.18Å; L143-I148 VanDerWaalsContact CD2-O 3.3Å; L143-I148 WeakPolarHBondContact CD2-O 3.39Å; L143-I148 PolarHBondContact O-N 3.49Å; H146-I148 HydrophobicContact CB-CD1 4.12Å; H146-I148 HydrophobicContact CB-CG1 4Å; H146-I148 HydrophobicContact CB-CG2 4.29Å; H146-I148 WeakPolarHBondContact O-CG2 3.49Å; H146-I148 PolarHBondContact O-N 3Å; I148-L151 HydrophobicContact CD1-CD1 4.23Å; I148-H167 PolarHBondContact O-CE1 3.19Å
149	H	94	Very high	95.2	Very high	81 Å²	81	56.2 Å²	56.2	38%	0.375	29%	0.285	S	S	.	.	S	Bend	trans	-105.7	-6.1	-176.5	-66.3	-127.5	0	0	0	113.2
150	R	95.8	Very high	95	Very high	56 Å²	56	60.7 Å²	60.7	21%	0.211	31%	0.309	C	S	.	.			trans	-138.4	114.9	-172.4	-55.8	-64.7	176.6	-176.6	-6.1	107.5	A69 M83 I164	A69-R150 HydrophobicContact CB-CG 3.87Å; M83-R150 HydrophobicContact CE-CB 4.31Å; R150-I164 HydrophobicContact CB-CG2 3.81Å; R150-I164 HydrophobicContact CG-CG2 4.44Å
151	L	97.9	Very high	95	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	105	179.6	179.6	64.5	0	0	0	108.9	V128 I130 A139 L143 I148 V153 L165	V128-L151 HydrophobicContact CG1-CD1 3.88Å; I130-L151 HydrophobicContact CB-CD1 4.39Å; I130-L151 HydrophobicContact CB-CD2 4.01Å; I130-L151 HydrophobicContact CB-CG 4.2Å; I130-L151 HydrophobicContact CD1-CD2 4.22Å; I130-L151 HydrophobicContact CG2-CD1 4.45Å; I130-L151 HydrophobicContact CG2-CD2 3.73Å; I130-L151 HydrophobicContact CG2-CG 3.78Å; A139-L151 HydrophobicContact CB-CD2 3.98Å; L143-L151 HydrophobicContact CD2-CB 3.64Å; L143-L151 HydrophobicContact CG-CB 4.12Å; L143-L151 HydrophobicContact CG-CD2 4.28Å; I148-L151 HydrophobicContact CD1-CD1 4.23Å; L151-V153 PolarHBondContact O-N 2.98Å; L151-L165 HydrophobicContact CB-CB 4.36Å; L151-L165 PolarHBondContact N-O 3.32Å; L151-L165 WeakPolarHBondContact O-CB 2.97Å; L151-L165 PolarHBondContact O-N 2.7Å
152	P	97.9	Very high	95	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.3	177.1	25.8	-31.6	0	0	0	111.1	M83 L127 V128 C129 I130 I154 T161 Y163	M83-P152 HydrophobicContact SD-CB 4.34Å; M83-P152 HydrophobicContact SD-CG 4.01Å; L127-P152 HydrophobicContact CD1-CG 3.96Å; L127-P152 HydrophobicContact CG-CG 4.5Å; V128-P152 VanDerWaalsContact O-CD 3.31Å; V128-P152 WeakPolarHBondContact O-CD 3.5Å; C129-P152 WeakPolarHBondContact CA-O 3.36Å; C129-P152 HydrophobicContact CB-CG 4.02Å; C129-P152 WeakPolarHBondContact CB-O 3.37Å; I130-P152 PolarHBondContact N-O 2.93Å; P152-I154 HydrophobicContact CB-CD1 4.45Å; P152-I154 HydrophobicContact CB-CG1 4.23Å; P152-T161 HydrophobicContact CB-CG2 4.1Å; P152-Y163 WeakPolarHBondContact CA-O 3.49Å
153	V	98.1	Very high	95.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.5	170.8	-174.9	0	0	0	0	107.1	C36 I130 P132 L151 L162 Y163 L165	C36-V153 HydrophobicContact CB-CG1 4.38Å; C36-V153 HydrophobicContact CB-CG2 4.41Å; I130-V153 HydrophobicContact CG2-CB 4.46Å; I130-V153 HydrophobicContact CG2-CG2 3.96Å; I130-V153 CarbonylContact O-C 3.52Å; I130-V153 VanDerWaalsContact O-CA 3.28Å; I130-V153 WeakPolarHBondContact O-CA 3.46Å; P132-V153 HydrophobicContact CB-CG1 3.87Å; L151-V153 PolarHBondContact O-N 2.98Å; V153-L162 PolarHBondContact O-N 3.08Å; V153-Y163 PolarHBondContact N-O 2.99Å; V153-L165 HydrophobicContact CG2-CB 4.23Å
154	I	97.2	Very high	95.2	Very high	23 Å²	23	64.6 Å²	64.6	12%	0.118	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.7	-176	-57.8	-175.5	0	0	0	108.5	F80 L127 C129 I130 P132 P152 P156 N160 T161	F80-I154 HydrophobicContact CB-CD1 4.42Å; F80-I154 HydrophobicContact CD2-CD1 4.17Å; F80-I154 HydrophobicContact CG-CD1 4.46Å; L127-I154 HydrophobicContact CD2-CD1 4.27Å; C129-I154 HydrophobicContact CB-CB 4.47Å; C129-I154 HydrophobicContact CB-CD1 3.64Å; C129-I154 HydrophobicContact CB-CG1 3.96Å; I130-I154 PolarHBondContact O-N 3.22Å; P132-I154 WeakPolarHBondContact CD-O 3.24Å; P152-I154 HydrophobicContact CB-CD1 4.45Å; P152-I154 HydrophobicContact CB-CG1 4.23Å; I154-P156 WeakPolarHBondContact O-CD 3.34Å; I154-N160 WeakPolarHBondContact CA-O 3.33Å; I154-T161 HydrophobicContact CG1-CG2 4.43Å
155	D	96.3	Very high	95.3	Very high	27 Å²	27	62.9 Å²	62.9	14%	0.144	31%	0.314	C	S	.	.			trans	-71.9	117.6	173.4	172.8	27.7	0	0	0	109.9	P132 L157 T158 G159 N160 L162	P132-D155 HydrophobicContact CG-CB 4.48Å; D155-L157 PolarHBondContact O-N 3.36Å; D155-L157 PolarHBondContact OD1-N 3.4Å; D155-L157 VanDerWaalsContact OD1-N 3.1Å; D155-T158 WeakPolarHBondContact OD2-CB 3.3Å; D155-T158 VanDerWaalsContact OD2-CG2 3.26Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.4Å; D155-T158 PolarHBondContact OD2-N 3.4Å; D155-T158 VanDerWaalsContact OD2-N 3.1Å; D155-T158 PolarHBondContact OD2-OG1 3.47Å; D155-G159 VanDerWaalsContact O-CA 3.24Å; D155-G159 WeakPolarHBondContact O-CA 3.4Å; D155-G159 PolarHBondContact O-N 2.64Å; D155-N160 PolarHBondContact N-O 2.94Å; D155-L162 HydrophobicContact CB-CD1 4.15Å; D155-L162 HydrophobicContact CB-CD2 4.34Å; D155-L162 HydrophobicContact CB-CG 4.26Å
156	P	94.4	Very high	95.5	Very high	91 Å²	91	53.8 Å²	53.8	59%	0.591	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.3	-179.5	28.3	-36.4	0	0	0	113.5	I154	I154-P156 WeakPolarHBondContact O-CD 3.34Å
157	L	93.7	Very high	95.6	Very high	160 Å²	160	50 Å²	50	84%	0.838	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-47.2	-179.3	-63.1	177.1	0	0	0	111.8	D155	D155-L157 PolarHBondContact O-N 3.36Å; D155-L157 PolarHBondContact OD1-N 3.4Å; D155-L157 VanDerWaalsContact OD1-N 3.1Å
158	T	93.6	Very high	95.7	Very high	83 Å²	83	43.5 Å²	43.5	51%	0.509	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-18.2	-178.4	60	0	0	0	0	113.8	D155 N160	D155-T158 WeakPolarHBondContact OD2-CB 3.3Å; D155-T158 VanDerWaalsContact OD2-CG2 3.26Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.4Å; D155-T158 PolarHBondContact OD2-N 3.4Å; D155-T158 VanDerWaalsContact OD2-N 3.1Å; D155-T158 PolarHBondContact OD2-OG1 3.47Å; T158-N160 WeakPolarHBondContact CB-ND2 3.37Å; T158-N160 PolarHBondContact O-N 2.67Å; T158-N160 WeakPolarHBondContact OG1-CB 3.3Å; T158-N160 PolarHBondContact OG1-N 3.49Å; T158-N160 PolarHBondContact OG1-ND2 3.24Å
159	G	92.3	Very high	95.8	Very high	36 Å²	36	44.8 Å²	44.8	37%	0.371	24%	0.238	S	C	.	.			trans	74.1	1.9	-170	0	0	0	0	0	113.8	F80 D155	F80-G159 WeakPolarHBondContact CE2-O 3.28Å; D155-G159 VanDerWaalsContact O-CA 3.24Å; D155-G159 WeakPolarHBondContact O-CA 3.4Å; D155-G159 PolarHBondContact O-N 2.64Å
160	N	94.4	Very high	95.8	Very high	95 Å²	95	41 Å²	41	51%	0.508	22%	0.22	S	C	.	.			trans	-74.7	135.6	-177.4	-70.5	-35	0	0	0	111.5	I154 D155 T158 L162	I154-N160 WeakPolarHBondContact CA-O 3.33Å; D155-N160 PolarHBondContact N-O 2.94Å; T158-N160 WeakPolarHBondContact CB-ND2 3.37Å; T158-N160 PolarHBondContact O-N 2.67Å; T158-N160 WeakPolarHBondContact OG1-CB 3.3Å; T158-N160 PolarHBondContact OG1-N 3.49Å; T158-N160 PolarHBondContact OG1-ND2 3.24Å; N160-L162 HydrophobicContact CB-CD2 4.36Å; N160-L162 PolarHBondContact O-N 3.09Å
161	T	95.9	Very high	95.7	Very high	15 Å²	15	38.3 Å²	38.3	9%	0.092	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	119.6	165.7	-59.9	0	0	0	0	108.7	L46 P71 F80 P152 I154	L46-T161 HydrophobicContact CD1-CG2 4.28Å; L46-T161 HydrophobicContact CD2-CG2 3.6Å; L46-T161 WeakPolarHBondContact CD2-O 3.39Å; P71-T161 HydrophobicContact CG-CG2 4Å; F80-T161 VanDerWaalsContact CE2-OG1 3.24Å; F80-T161 WeakPolarHBondContact CE2-OG1 3.22Å; F80-T161 VanDerWaalsContact CZ-OG1 3.25Å; F80-T161 WeakPolarHBondContact CZ-OG1 3.46Å; P152-T161 HydrophobicContact CB-CG2 4.1Å; I154-T161 HydrophobicContact CG1-CG2 4.43Å
162	L	96.4	Very high	95.5	Very high	55 Å²	55	41.6 Å²	41.6	29%	0.288	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-41.7	-177	-56.1	-177.3	0	0	0	111.9	P132 V153 D155 N160	P132-L162 HydrophobicContact CB-CD1 3.98Å; P132-L162 HydrophobicContact CG-CD1 4.01Å; V153-L162 PolarHBondContact O-N 3.08Å; D155-L162 HydrophobicContact CB-CD1 4.15Å; D155-L162 HydrophobicContact CB-CD2 4.34Å; D155-L162 HydrophobicContact CB-CG 4.26Å; N160-L162 HydrophobicContact CB-CD2 4.36Å; N160-L162 PolarHBondContact O-N 3.09Å
163	Y	97.4	Very high	95.3	Very high	43 Å²	43	42.6 Å²	42.6	17%	0.169	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	164.2	-172.8	-170.6	-118.7	0	0	0	111.8	V40 P41 P152 V153 L165 R169	V40-Y163 HydrophobicContact CG1-CG 4.43Å; V40-Y163 HydrophobicContact CG2-CD1 4.32Å; V40-Y163 HydrophobicContact CG2-CG 4.28Å; P41-Y163 HydrophobicContact CG-CE2 4.01Å; P152-Y163 WeakPolarHBondContact CA-O 3.49Å; V153-Y163 PolarHBondContact N-O 2.99Å; Y163-L165 HydrophobicContact CD1-CD1 4.27Å; Y163-L165 HydrophobicContact CE1-CD1 4.16Å; Y163-R169 HydrophobicContact CE1-CG 4.29Å
164	I	97.8	Very high	94.9	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.118	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	107.9	172.4	-57.6	166.9	0	0	0	108.5	L46 P71 M83 R150	L46-I164 HydrophobicContact CD1-CD1 3.79Å; L46-I164 HydrophobicContact CD1-CG1 3.84Å; P71-I164 HydrophobicContact CG-CD1 4.39Å; M83-I164 HydrophobicContact CE-CD1 3.87Å; M83-I164 HydrophobicContact CE-CG1 4.27Å; M83-I164 HydrophobicContact CE-CG2 4.34Å; R150-I164 HydrophobicContact CB-CG2 3.81Å; R150-I164 HydrophobicContact CG-CG2 4.44Å
165	L	97.4	Very high	94.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	146.5	178.1	-153.1	68.7	0	0	0	111.2	L39 A139 L151 V153 Y163 I170	L39-L165 HydrophobicContact CB-CD1 3.79Å; L39-L165 HydrophobicContact CD2-CD1 3.76Å; L39-L165 HydrophobicContact CG-CD1 4.43Å; A139-L165 HydrophobicContact CB-CD2 3.55Å; L151-L165 HydrophobicContact CB-CB 4.36Å; L151-L165 PolarHBondContact N-O 3.32Å; L151-L165 WeakPolarHBondContact O-CB 2.97Å; L151-L165 PolarHBondContact O-N 2.7Å; V153-L165 HydrophobicContact CG2-CB 4.23Å; Y163-L165 HydrophobicContact CD1-CD1 4.27Å; Y163-L165 HydrophobicContact CE1-CD1 4.16Å; L165-I170 HydrophobicContact CD1-CG1 4.34Å; L165-I170 HydrophobicContact CD2-CD1 3.73Å; L165-I170 HydrophobicContact CD2-CG1 3.95Å; L165-I170 HydrophobicContact CG-CD1 3.97Å; L165-I170 HydrophobicContact CG-CG1 3.93Å
166	T	96.3	Very high	94	Very high	20 Å²	20	47.8 Å²	47.8	12%	0.123	25%	0.254	C	S	.	.			trans	-143.5	152	-175.1	70.9	0	0	0	0	110.2	K168 R169 I170	T166-K168 PolarHBondContact O-N 3.06Å; T166-R169 PolarHBondContact O-N 2.9Å; T166-R169 VanDerWaalsContact O-N 3.1Å; T166-R169 WeakPolarHBondContact OG1-CB 3.43Å; T166-R169 PolarHBondContact OG1-N 3.1Å; T166-R169 VanDerWaalsContact OG1-N 3.12Å; T166-I170 WeakPolarHBondContact O-CG1 3.41Å; T166-I170 PolarHBondContact O-N 3.2Å
167	H	95.8	Very high	93.4	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.046	24%	0.239	C	C	.	.	H	α-helix	trans	-50.2	-43.9	173.1	-60.8	100.3	0	0	0	112.4	I148 R169 I170 L171 L313 S314 L317	I148-H167 PolarHBondContact O-CE1 3.19Å; H167-R169 PolarHBondContact O-N 3.4Å; H167-I170 PolarHBondContact O-N 3.34Å; H167-L171 PolarHBondContact O-N 3.38Å; H167-L313 HydrophobicContact CB-CB 3.8Å; H167-L313 HydrophobicContact CB-CD1 4.24Å; H167-S314 PolarHBondContact CD2-OG 2.56Å; H167-S314 PolarHBondContact CE1-OG 2.8Å; H167-S314 VanDerWaalsContact CE1-OG 3.25Å; H167-S314 PolarHBondContact NE2-OG 3.14Å; H167-S314 VanDerWaalsContact NE2-OG 3.11Å; H167-L317 HydrophobicContact CB-CD1 3.67Å
168	K	93.6	Very high	92.4	Very high	46 Å²	46	39.3 Å²	39.3	20%	0.2	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-44.6	179.9	-178.8	178	170.2	-179.4	0	111.9	T166 K172 E294 L313	T166-K168 PolarHBondContact O-N 3.06Å; K168-K172 VanDerWaalsContact O-CB 3.3Å; K168-K172 WeakPolarHBondContact O-CB 3.41Å; K168-K172 PolarHBondContact O-N 3.48Å; K168-E294 VanDerWaalsContact CE-O 3.31Å; K168-E294 WeakPolarHBondContact CE-O 3.16Å; K168-E294 PolarHBondContact NZ-O 2.98Å; K168-E294 IonicContact NZ-OE2 2.72Å; K168-E294 PolarHBondContact NZ-OE2 2.91Å; K168-L313 HydrophobicContact CB-CD1 3.71Å; K168-L313 HydrophobicContact CG-CD1 4.45Å
169	R	95.1	Very high	91.1	Very high	76 Å²	76	40.4 Å²	40.4	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-66.6	-40.7	179.7	-175.8	60.3	172.9	171.6	3.8	111.3	L39 Y163 T166 H167 F173	L39-R169 HydrophobicContact CD2-CG 4.47Å; L39-R169 PolarHBondContact O-NE 3.46Å; L39-R169 PolarHBondContact O-NH2 2.98Å; Y163-R169 HydrophobicContact CE1-CG 4.29Å; T166-R169 PolarHBondContact O-N 2.9Å; T166-R169 VanDerWaalsContact O-N 3.1Å; T166-R169 WeakPolarHBondContact OG1-CB 3.43Å; T166-R169 PolarHBondContact OG1-N 3.1Å; T166-R169 VanDerWaalsContact OG1-N 3.12Å; H167-R169 PolarHBondContact O-N 3.4Å; R169-F173 WeakPolarHBondContact O-CB 2.93Å; R169-F173 PolarHBondContact O-N 2.95Å
170	I	95.6	Very high	90.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-51.4	177.5	-62.4	166.8	0	0	0	110.1	L39 V140 L143 L165 T166 H167 K172 F173 L174 L317	L39-I170 HydrophobicContact CD2-CB 4.3Å; L39-I170 HydrophobicContact CD2-CG1 3.79Å; V140-I170 HydrophobicContact CG2-CD1 3.88Å; V140-I170 HydrophobicContact CG2-CG2 3.8Å; L143-I170 HydrophobicContact CD1-CD1 3.52Å; L165-I170 HydrophobicContact CD1-CG1 4.34Å; L165-I170 HydrophobicContact CD2-CD1 3.73Å; L165-I170 HydrophobicContact CD2-CG1 3.95Å; L165-I170 HydrophobicContact CG-CD1 3.97Å; L165-I170 HydrophobicContact CG-CG1 3.93Å; T166-I170 WeakPolarHBondContact O-CG1 3.41Å; T166-I170 PolarHBondContact O-N 3.2Å; H167-I170 PolarHBondContact O-N 3.34Å; I170-K172 VanDerWaalsContact C-N 3.34Å; I170-K172 PolarHBondContact O-N 3.03Å; I170-F173 WeakPolarHBondContact O-CB 3.32Å; I170-F173 PolarHBondContact O-N 3.3Å; I170-F173 VanDerWaalsContact O-N 3.12Å; I170-L174 HydrophobicContact CG2-CD1 4.14Å; I170-L174 HydrophobicContact CG2-CG 4.39Å; I170-L174 WeakPolarHBondContact O-CG 3.35Å; I170-L174 PolarHBondContact O-N 3Å; I170-L317 HydrophobicContact CB-CD1 4.43Å; I170-L317 HydrophobicContact CG2-CD1 4.48Å; I170-L317 HydrophobicContact CG2-CD2 3.83Å
171	L	93.4	Very high	89	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-39.2	-178.9	-167.8	68.1	0	0	0	112.3	H167 F173 L174 K175 I287 V291 L313 I316 L317 L320	H167-L171 PolarHBondContact O-N 3.38Å; L171-F173 VanDerWaalsContact C-N 3.33Å; L171-F173 PolarHBondContact O-N 2.96Å; L171-L174 PolarHBondContact O-N 3.3Å; L171-K175 PolarHBondContact O-N 3.31Å; L171-I287 HydrophobicContact CD1-CG2 4.21Å; L171-I287 HydrophobicContact CD2-CG2 4.34Å; L171-I287 HydrophobicContact CG-CG2 4.31Å; L171-V291 HydrophobicContact CD2-CG2 4.11Å; L171-V291 HydrophobicContact CG-CG2 4.04Å; L171-L313 HydrophobicContact CB-CD2 4.29Å; L171-L313 HydrophobicContact CD2-CD2 3.26Å; L171-L313 HydrophobicContact CG-CD2 4.39Å; L171-I316 HydrophobicContact CD1-CG2 3.88Å; L171-I316 HydrophobicContact CD2-CG2 4.34Å; L171-L317 HydrophobicContact CD1-CD2 4.37Å; L171-L320 HydrophobicContact CD1-CD1 4.01Å
172	K	93.1	Very high	87.9	Confident	69 Å²	69	46.6 Å²	46.6	30%	0.3	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-40.7	174	-172.4	169	-173	171.5	0	111.6	K168 I170 K175 L176 V291 E294	K168-K172 VanDerWaalsContact O-CB 3.3Å; K168-K172 WeakPolarHBondContact O-CB 3.41Å; K168-K172 PolarHBondContact O-N 3.48Å; I170-K172 VanDerWaalsContact C-N 3.34Å; I170-K172 PolarHBondContact O-N 3.03Å; K172-K175 PolarHBondContact O-N 3.19Å; K172-L176 WeakPolarHBondContact O-CG 3.44Å; K172-L176 PolarHBondContact O-N 2.92Å; K172-V291 HydrophobicContact CB-CG1 4.34Å; K172-V291 HydrophobicContact CG-CG1 4.08Å; K172-E294 IonicContact NZ-OE1 3.01Å; K172-E294 PolarHBondContact NZ-OE1 3.09Å
173	F	92.8	Very high	86.7	Confident	21 Å²	21	52.6 Å²	52.6	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-51.1	174.2	-177.1	-95.7	0	0	0	110.8	F30 H34 D38 L39 L136 R169 I170 L171 K175 L176 F177	F30-F173 HydrophobicContact CE1-CD1 4.08Å; F30-F173 AromaticContact CE1-CE1 3.66Å; F30-F173 HydrophobicContact CE1-CE1 3.66Å; F30-F173 HydrophobicContact CZ-CD1 4.49Å; F30-F173 AromaticContact CZ-CE1 3.81Å; F30-F173 HydrophobicContact CZ-CE1 3.81Å; H34-F173 AromaticContact CD2-CZ 3.91Å; D38-F173 HydrophobicContact CB-CZ 4.29Å; L39-F173 HydrophobicContact CD1-CB 4.12Å; L39-F173 HydrophobicContact CD1-CD1 3.48Å; L39-F173 VanDerWaalsContact CD1-CD1 3.48Å; L39-F173 HydrophobicContact CD1-CD2 3.5Å; L39-F173 VanDerWaalsContact CD1-CD2 3.5Å; L39-F173 HydrophobicContact CD1-CE1 3.6Å; L39-F173 HydrophobicContact CD1-CE2 3.61Å; L39-F173 HydrophobicContact CD1-CG 3.42Å; L39-F173 VanDerWaalsContact CD1-CG 3.42Å; L39-F173 HydrophobicContact CD1-CZ 3.67Å; L39-F173 HydrophobicContact CD2-CB 4.03Å; L39-F173 HydrophobicContact CD2-CG 4.25Å; L39-F173 HydrophobicContact CG-CB 3.89Å; L39-F173 HydrophobicContact CG-CD1 4.21Å; L39-F173 HydrophobicContact CG-CD2 3.84Å; L39-F173 HydrophobicContact CG-CE2 4.38Å; L39-F173 HydrophobicContact CG-CG 3.73Å; L136-F173 HydrophobicContact CD1-CD1 3.97Å; L136-F173 HydrophobicContact CD1-CE1 3.8Å; R169-F173 WeakPolarHBondContact O-CB 2.93Å; R169-F173 PolarHBondContact O-N 2.95Å; I170-F173 WeakPolarHBondContact O-CB 3.32Å; I170-F173 PolarHBondContact O-N 3.3Å; I170-F173 VanDerWaalsContact O-N 3.12Å; L171-F173 VanDerWaalsContact C-N 3.33Å; L171-F173 PolarHBondContact O-N 2.96Å; F173-K175 VanDerWaalsContact C-N 3.32Å; F173-K175 PolarHBondContact O-N 3.37Å; F173-L176 WeakPolarHBondContact O-CB 3.48Å; F173-L176 PolarHBondContact O-N 3.39Å; F173-L176 VanDerWaalsContact O-N 3.11Å; F173-F177 HydrophobicContact CD1-CD2 4.16Å; F173-F177 HydrophobicContact CD1-CE2 4.25Å; F173-F177 HydrophobicContact CD2-CD2 4.37Å; F173-F177 AromaticContact CD2-CE2 3.73Å; F173-F177 HydrophobicContact CD2-CE2 3.73Å; F173-F177 AromaticContact CE1-CD2 3.94Å; F173-F177 HydrophobicContact CE1-CD2 3.94Å; F173-F177 AromaticContact CE1-CE2 3.89Å; F173-F177 HydrophobicContact CE1-CE2 3.89Å; F173-F177 HydrophobicContact CE2-CD2 4.18Å; F173-F177 AromaticContact CE2-CE2 3.33Å; F173-F177 HydrophobicContact CE2-CE2 3.33Å; F173-F177 HydrophobicContact CE2-CZ 4.06Å; F173-F177 HydrophobicContact CG-CD2 4.37Å; F173-F177 HydrophobicContact CG-CE2 4.18Å; F173-F177 AromaticContact CZ-CD2 3.95Å; F173-F177 HydrophobicContact CZ-CD2 3.95Å; F173-F177 AromaticContact CZ-CE2 3.42Å; F173-F177 HydrophobicContact CZ-CE2 3.42Å; F173-F177 VanDerWaalsContact CZ-CE2 3.42Å; F173-F177 HydrophobicContact CZ-CZ 4.12Å; F173-F177 VanDerWaalsContact O-CD2 3.23Å; F173-F177 WeakPolarHBondContact O-CD2 3.13Å
174	L	90	Very high	85.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-53.9	-48.4	177.1	-65.1	174	0	0	0	111.2	F30 M31 I170 L171 L176 F177 I178 L317 L320	F30-L174 HydrophobicContact CD1-CD2 3.68Å; F30-L174 HydrophobicContact CE1-CD2 3.79Å; M31-L174 HydrophobicContact CG-CD2 3.86Å; M31-L174 HydrophobicContact SD-CD1 4.22Å; M31-L174 HydrophobicContact SD-CD2 4.44Å; I170-L174 HydrophobicContact CG2-CD1 4.14Å; I170-L174 HydrophobicContact CG2-CG 4.39Å; I170-L174 WeakPolarHBondContact O-CG 3.35Å; I170-L174 PolarHBondContact O-N 3Å; L171-L174 PolarHBondContact O-N 3.3Å; L174-L176 VanDerWaalsContact C-N 3.26Å; L174-L176 PolarHBondContact O-N 3.42Å; L174-F177 CarbonylContact O-C 3.55Å; L174-F177 PolarHBondContact O-N 3.24Å; L174-I178 VanDerWaalsContact O-CG1 3.28Å; L174-I178 WeakPolarHBondContact O-CG1 3.39Å; L174-I178 PolarHBondContact O-N 3.09Å; L174-L317 HydrophobicContact CD1-CD2 3.84Å; L174-L320 HydrophobicContact CD1-CD1 4.09Å
175	K	87.9	Confident	85	Confident	44 Å²	44	50.5 Å²	50.5	19%	0.191	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-32.5	-179.8	-178.6	59.8	-179	179	0	114.1	L171 K172 F173 F177 I178 I287 T288 V291	L171-K175 PolarHBondContact O-N 3.31Å; K172-K175 PolarHBondContact O-N 3.19Å; F173-K175 VanDerWaalsContact C-N 3.32Å; F173-K175 PolarHBondContact O-N 3.37Å; K175-F177 VanDerWaalsContact C-N 3.29Å; K175-F177 PolarHBondContact O-N 2.99Å; K175-I178 HydrophobicContact CD-CD1 4.32Å; K175-I287 HydrophobicContact CD-CG2 4.41Å; K175-T288 PolarHBondContact NZ-OG1 3.1Å; K175-V291 HydrophobicContact CB-CG1 4.27Å; K175-V291 HydrophobicContact CB-CG2 4.11Å; K175-V291 HydrophobicContact CG-CB 4.44Å; K175-V291 HydrophobicContact CG-CG1 4.16Å; K175-V291 HydrophobicContact CG-CG2 4.39Å
176	L	86.9	Confident	84.4	Confident	116 Å²	116	50.7 Å²	50.7	61%	0.607	25%	0.25	S	C	*	.	H	α-helix	trans	-65.8	-33.3	176.5	-69.5	170	0	0	0	112.3	K172 F173 L174	K172-L176 WeakPolarHBondContact O-CG 3.44Å; K172-L176 PolarHBondContact O-N 2.92Å; F173-L176 WeakPolarHBondContact O-CB 3.48Å; F173-L176 PolarHBondContact O-N 3.39Å; F173-L176 VanDerWaalsContact O-N 3.11Å; L174-L176 VanDerWaalsContact C-N 3.26Å; L174-L176 PolarHBondContact O-N 3.42Å
177	F	81.9	Confident	84	Confident	62 Å²	62	50 Å²	50	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-99.4	-10.2	-178.8	-62	-80.5	0	0	0	113.4	F30 F173 L174 K175 S179 E180 M181	F30-F177 HydrophobicContact CE1-CB 4.44Å; F30-F177 HydrophobicContact CE2-CB 3.75Å; F30-F177 HydrophobicContact CE2-CG 4.06Å; F30-F177 HydrophobicContact CZ-CB 3.54Å; F30-F177 HydrophobicContact CZ-CD1 4.41Å; F30-F177 AromaticContact CZ-CD2 3.75Å; F30-F177 HydrophobicContact CZ-CD2 3.75Å; F30-F177 AromaticContact CZ-CG 3.64Å; F30-F177 HydrophobicContact CZ-CG 3.64Å; F173-F177 HydrophobicContact CD1-CD2 4.16Å; F173-F177 HydrophobicContact CD1-CE2 4.25Å; F173-F177 HydrophobicContact CD2-CD2 4.37Å; F173-F177 AromaticContact CD2-CE2 3.73Å; F173-F177 HydrophobicContact CD2-CE2 3.73Å; F173-F177 AromaticContact CE1-CD2 3.94Å; F173-F177 HydrophobicContact CE1-CD2 3.94Å; F173-F177 AromaticContact CE1-CE2 3.89Å; F173-F177 HydrophobicContact CE1-CE2 3.89Å; F173-F177 HydrophobicContact CE2-CD2 4.18Å; F173-F177 AromaticContact CE2-CE2 3.33Å; F173-F177 HydrophobicContact CE2-CE2 3.33Å; F173-F177 HydrophobicContact CE2-CZ 4.06Å; F173-F177 HydrophobicContact CG-CD2 4.37Å; F173-F177 HydrophobicContact CG-CE2 4.18Å; F173-F177 AromaticContact CZ-CD2 3.95Å; F173-F177 HydrophobicContact CZ-CD2 3.95Å; F173-F177 AromaticContact CZ-CE2 3.42Å; F173-F177 HydrophobicContact CZ-CE2 3.42Å; F173-F177 VanDerWaalsContact CZ-CE2 3.42Å; F173-F177 HydrophobicContact CZ-CZ 4.12Å; F173-F177 VanDerWaalsContact O-CD2 3.23Å; F173-F177 WeakPolarHBondContact O-CD2 3.13Å; L174-F177 CarbonylContact O-C 3.55Å; L174-F177 PolarHBondContact O-N 3.24Å; K175-F177 VanDerWaalsContact C-N 3.29Å; K175-F177 PolarHBondContact O-N 2.99Å; F177-S179 PolarHBondContact O-N 2.75Å; F177-E180 PolarHBondContact O-N 3.03Å; F177-M181 HydrophobicContact CB-CE 3.48Å; F177-M181 VanDerWaalsContact CB-CE 3.48Å; F177-M181 WeakPolarHBondContact O-CE 3.47Å; F177-M181 WeakPolarHBondContact O-CG 3.29Å; F177-M181 PolarHBondContact O-N 2.92Å
178	I	73.1	Confident	83.7	Confident	11 Å²	11	54 Å²	54	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-55.1	-38	178.2	-85	174.5	0	0	0	111.8	Y27 L174 K175 E180 M181	Y27-I178 HydrophobicContact CE1-CD1 3.72Å; Y27-I178 HydrophobicContact CE1-CG1 3.57Å; Y27-I178 WeakPolarHBondContact OH-CD1 3.45Å; Y27-I178 WeakPolarHBondContact OH-CG1 3.22Å; L174-I178 VanDerWaalsContact O-CG1 3.28Å; L174-I178 WeakPolarHBondContact O-CG1 3.39Å; L174-I178 PolarHBondContact O-N 3.09Å; K175-I178 HydrophobicContact CD-CD1 4.32Å; I178-E180 PolarHBondContact O-N 3.1Å; I178-M181 PolarHBondContact O-N 3.04Å
179	S	66.8	Low	83.7	Confident	106 Å²	106	55.3 Å²	55.3	74%	0.741	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-21.1	-179.8	-54.6	0	0	0	0	113.5	F177	F177-S179 PolarHBondContact O-N 2.75Å
180	E	69.8	Low	83.7	Confident	155 Å²	155	52.8 Å²	52.8	72%	0.724	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-8.5	179.6	-59.8	-176.5	169.7	0	0	112.3	F177 I178	F177-E180 PolarHBondContact O-N 3.03Å; I178-E180 PolarHBondContact O-N 3.1Å
181	M	72.6	Confident	83.7	Confident	25 Å²	25	52.8 Å²	52.8	12%	0.123	27%	0.267	C	S	.	.	S	Bend	trans	-95.8	150.8	179.8	-68.6	-175.2	-129.7	0	0	111.5	V26 F30 F177 I178 R183	V26-M181 HydrophobicContact CG1-CB 3.88Å; V26-M181 HydrophobicContact CG1-CG 4.18Å; V26-M181 HydrophobicContact CG1-SD 3.87Å; F30-M181 HydrophobicContact CB-CE 4.1Å; F30-M181 HydrophobicContact CB-SD 3.84Å; F30-M181 HydrophobicContact CD1-CE 3.7Å; F30-M181 HydrophobicContact CD2-CE 3.11Å; F30-M181 HydrophobicContact CD2-SD 3.67Å; F30-M181 HydrophobicContact CE1-CE 3.83Å; F30-M181 HydrophobicContact CE2-CE 3.23Å; F30-M181 HydrophobicContact CE2-SD 4.35Å; F30-M181 HydrophobicContact CG-CE 3.35Å; F30-M181 HydrophobicContact CG-SD 3.77Å; F30-M181 HydrophobicContact CZ-CE 3.62Å; F177-M181 HydrophobicContact CB-CE 3.48Å; F177-M181 VanDerWaalsContact CB-CE 3.48Å; F177-M181 WeakPolarHBondContact O-CE 3.47Å; F177-M181 WeakPolarHBondContact O-CG 3.29Å; F177-M181 PolarHBondContact O-N 2.92Å; I178-M181 PolarHBondContact O-N 3.04Å; M181-R183 PolarHBondContact O-N 2.95Å
182	P	72.7	Confident	83.7	Confident	95 Å²	95	57.3 Å²	57.3	62%	0.617	29%	0.288	S	S	*	.			trans	-52.9	127	166.7	-23.2	33.2	0	0	0	110	A184	P182-A184 PolarHBondContact O-N 3.01Å
183	R	70.8	Confident	83.7	Confident	181 Å²	181	60.2 Å²	60.2	68%	0.683	30%	0.303	S	S	*	.			trans	-64.9	111.2	-179	-79.6	-174.3	174.1	168.4	-3.5	109.7	M181 S185	M181-R183 PolarHBondContact O-N 2.95Å; R183-S185 PolarHBondContact O-N 3.11Å
184	A	77.8	Confident	83.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.			trans	-68	128.3	173	0	0	0	0	0	109.9	E23 Y27 P182 F186 L187	E23-A184 WeakPolarHBondContact O-CB 3.4Å; Y27-A184 HydrophobicContact CD2-CB 4.42Å; Y27-A184 HydrophobicContact CE2-CB 3.92Å; P182-A184 PolarHBondContact O-N 3.01Å; A184-F186 HydrophobicContact CB-CD1 3.5Å; A184-F186 HydrophobicContact CB-CE1 3.24Å; A184-F186 HydrophobicContact CB-CG 4.46Å; A184-F186 HydrophobicContact CB-CZ 4.03Å; A184-F186 PolarHBondContact O-N 3.49Å; A184-F186 VanDerWaalsContact O-N 3.16Å; A184-L187 HydrophobicContact CB-CG 4.5Å; A184-L187 WeakPolarHBondContact O-CB 3.47Å; A184-L187 WeakPolarHBondContact O-CG 3.36Å; A184-L187 PolarHBondContact O-N 3.42Å; A184-L187 VanDerWaalsContact O-N 3.1Å
185	S	81.8	Confident	83.9	Confident	23 Å²	23	67.3 Å²	67.3	16%	0.161	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-59.5	-27.9	-175.1	46.5	0	0	0	0	114.1	E23 R183 L187 N188	E23-S185 VanDerWaalsContact OE2-CB 3.27Å; E23-S185 WeakPolarHBondContact OE2-CB 3.46Å; E23-S185 PolarHBondContact OE2-N 3.32Å; E23-S185 PolarHBondContact OE2-OG 3.25Å; R183-S185 PolarHBondContact O-N 3.11Å; S185-L187 PolarHBondContact O-N 2.98Å; S185-N188 PolarHBondContact O-N 2.87Å
186	F	85.3	Confident	84.2	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.018	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-64.5	-20.5	177.4	74.4	-100.1	0	0	0	114	Q24 Y27 A184 N188 Q189 L194 L283 L320	Q24-F186 HydrophobicContact CG-CD1 4.4Å; Y27-F186 AromaticContact CD2-CE1 3.91Å; Y27-F186 HydrophobicContact CD2-CE1 3.91Å; Y27-F186 AromaticContact CD2-CZ 3.45Å; Y27-F186 HydrophobicContact CD2-CZ 3.45Å; Y27-F186 VanDerWaalsContact CD2-CZ 3.45Å; Y27-F186 HydrophobicContact CE2-CE1 4.03Å; Y27-F186 HydrophobicContact CE2-CE2 4.36Å; Y27-F186 AromaticContact CE2-CZ 3.49Å; Y27-F186 HydrophobicContact CE2-CZ 3.49Å; Y27-F186 VanDerWaalsContact CE2-CZ 3.49Å; Y27-F186 HydrophobicContact CG-CZ 4.5Å; A184-F186 HydrophobicContact CB-CD1 3.5Å; A184-F186 HydrophobicContact CB-CE1 3.24Å; A184-F186 HydrophobicContact CB-CG 4.46Å; A184-F186 HydrophobicContact CB-CZ 4.03Å; A184-F186 PolarHBondContact O-N 3.49Å; A184-F186 VanDerWaalsContact O-N 3.16Å; F186-N188 PolarHBondContact O-N 3.15Å; F186-Q189 WeakPolarHBondContact O-CB 3.39Å; F186-Q189 PolarHBondContact O-N 2.99Å; F186-Q189 VanDerWaalsContact O-N 3.12Å; F186-L194 HydrophobicContact CB-CD2 4.37Å; F186-L283 HydrophobicContact CD2-CD2 3.93Å; F186-L283 HydrophobicContact CE2-CD2 3.89Å; F186-L320 HydrophobicContact CE2-CD2 3.74Å; F186-L320 HydrophobicContact CZ-CD2 3.82Å
187	L	87.3	Confident	84.6	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.021	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-65.7	-25	176.7	-65.4	171.7	0	0	0	113.1	Y27 A184 S185 Q189 L283 E284 I287	Y27-L187 HydrophobicContact CE2-CD1 4.12Å; Y27-L187 HydrophobicContact CE2-CD2 4.19Å; Y27-L187 HydrophobicContact CE2-CG 4.3Å; Y27-L187 WeakPolarHBondContact OH-CD1 3.4Å; Y27-L187 WeakPolarHBondContact OH-CD2 3.32Å; A184-L187 HydrophobicContact CB-CG 4.5Å; A184-L187 WeakPolarHBondContact O-CB 3.47Å; A184-L187 WeakPolarHBondContact O-CG 3.36Å; A184-L187 PolarHBondContact O-N 3.42Å; A184-L187 VanDerWaalsContact O-N 3.1Å; S185-L187 PolarHBondContact O-N 2.98Å; L187-Q189 VanDerWaalsContact C-N 3.35Å; L187-L283 HydrophobicContact CD2-CD2 4.21Å; L187-L283 HydrophobicContact CD2-CG 4.48Å; L187-L283 PolarHBondContact O-N 3.2Å; L187-E284 HydrophobicContact CB-CB 4.28Å; L187-E284 PolarHBondContact O-N 3.09Å; L187-I287 HydrophobicContact CD2-CD1 4.26Å
188	N	90.2	Very high	85.3	Confident	94 Å²	94	61.6 Å²	61.6	50%	0.503	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-86.4	-9.4	177.7	-64.1	-36.7	0	0	0	112.5	S185 F186 T282	S185-N188 PolarHBondContact O-N 2.87Å; F186-N188 PolarHBondContact O-N 3.15Å; N188-T282 VanDerWaalsContact O-CG2 3.3Å; N188-T282 WeakPolarHBondContact O-CG2 3.48Å
189	Q	92.9	Very high	86.3	Confident	74 Å²	74	64 Å²	64	35%	0.346	33%	0.334	S	S	.	.	S	Bend	trans	-76	152.2	173.5	-63.1	179.7	27.2	0	0	110	F186 L187 E193 L194 T282 L283	F186-Q189 WeakPolarHBondContact O-CB 3.39Å; F186-Q189 PolarHBondContact O-N 2.99Å; F186-Q189 VanDerWaalsContact O-N 3.12Å; L187-Q189 VanDerWaalsContact C-N 3.35Å; Q189-E193 WeakPolarHBondContact CA-OE2 3.26Å; Q189-E193 HydrophobicContact CB-CB 4.33Å; Q189-E193 WeakPolarHBondContact CB-OE2 3.36Å; Q189-L194 HydrophobicContact CB-CD1 4.03Å; Q189-L194 HydrophobicContact CB-CD2 3.99Å; Q189-L194 HydrophobicContact CB-CG 3.79Å; Q189-T282 WeakPolarHBondContact O-CA 3.12Å; Q189-L283 PolarHBondContact O-N 3.1Å
190	T	95.8	Very high	87.6	Confident	23 Å²	23	67.2 Å²	67.2	14%	0.141	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-78	161.8	-178.3	65.6	0	0	0	0	112.1	E192 E193 L194 H280 E281	T190-E192 PolarHBondContact O-N 2.87Å; T190-E193 PolarHBondContact N-OE2 3.21Å; T190-E193 PolarHBondContact O-N 3.43Å; T190-E193 VanDerWaalsContact OG1-CD 3.32Å; T190-E193 VanDerWaalsContact OG1-CG 3.25Å; T190-E193 WeakPolarHBondContact OG1-CG 3.17Å; T190-E193 PolarHBondContact OG1-N 3.34Å; T190-E193 PolarHBondContact OG1-OE2 3.46Å; T190-E193 VanDerWaalsContact OG1-OE2 3.1Å; T190-L194 WeakPolarHBondContact O-CG 3.44Å; T190-L194 PolarHBondContact O-N 3.09Å; T190-L194 VanDerWaalsContact O-N 3.11Å; T190-H280 VanDerWaalsContact CG2-O 3.26Å; T190-H280 WeakPolarHBondContact CG2-O 3.41Å; T190-E281 VanDerWaalsContact CA-O 3.28Å; T190-E281 WeakPolarHBondContact CA-O 3.43Å
191	L	94.3	Very high	88.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-57.9	-34.4	173.3	-70.6	179	0	0	0	112.6	N195 I196 R279 E281 I286 V300 V311	L191-N195 WeakPolarHBondContact O-CA 3.36Å; L191-N195 PolarHBondContact O-N 3.4Å; L191-I196 HydrophobicContact CD2-CB 4.17Å; L191-I196 HydrophobicContact CD2-CG2 4.4Å; L191-I196 PolarHBondContact O-N 3.04Å; L191-R279 PolarHBondContact N-O 3.44Å; L191-E281 PolarHBondContact N-O 3.36Å; L191-I286 HydrophobicContact CD1-CD1 3.79Å; L191-I286 HydrophobicContact CD1-CG1 3.83Å; L191-I286 HydrophobicContact CD2-CG1 4.04Å; L191-I286 HydrophobicContact CD2-CG2 4.47Å; L191-I286 HydrophobicContact CG-CD1 4.4Å; L191-I286 HydrophobicContact CG-CG1 3.91Å; L191-V300 HydrophobicContact CD1-CG2 4.48Å; L191-V311 HydrophobicContact CD1-CG1 4.22Å; L191-V311 HydrophobicContact CD2-CG2 4.23Å
192	E	94.4	Very high	89.9	Confident	96 Å²	96	68.1 Å²	68.1	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-68.4	-46.8	178.2	-173.6	164.6	-133.6	0	0	112	T190 L194 N195 R279 H280	T190-E192 PolarHBondContact O-N 2.87Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 2.97Å; E192-N195 PolarHBondContact O-N 3.5Å; E192-R279 HydrophobicContact CB-CB 4.25Å; E192-R279 HydrophobicContact CB-CG 4.31Å; E192-R279 PolarHBondContact N-O 2.79Å; E192-R279 VanDerWaalsContact N-O 3.1Å; E192-R279 VanDerWaalsContact OE1-CD 3.28Å; E192-R279 WeakPolarHBondContact OE1-CD 3.46Å; E192-R279 IonicContact OE1-NH1 2.6Å; E192-H280 IonicContact OE2-CE1 3.91Å; E192-H280 PolarHBondContact OE2-CE1 2.89Å; E192-H280 IonicContact OE2-ND1 2.72Å; E192-H280 PolarHBondContact OE2-ND1 3.05Å; E192-H280 VanDerWaalsContact OE2-ND1 3.14Å
193	E	93.4	Very high	91	Very high	130 Å²	130	64.1 Å²	64.1	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-62	-40.1	177.9	-72.1	164	158.2	0	0	112.1	Q189 T190 N195	Q189-E193 WeakPolarHBondContact CA-OE2 3.26Å; Q189-E193 HydrophobicContact CB-CB 4.33Å; Q189-E193 WeakPolarHBondContact CB-OE2 3.36Å; T190-E193 PolarHBondContact N-OE2 3.21Å; T190-E193 PolarHBondContact O-N 3.43Å; T190-E193 VanDerWaalsContact OG1-CD 3.32Å; T190-E193 VanDerWaalsContact OG1-CG 3.25Å; T190-E193 WeakPolarHBondContact OG1-CG 3.17Å; T190-E193 PolarHBondContact OG1-N 3.34Å; T190-E193 PolarHBondContact OG1-OE2 3.46Å; T190-E193 VanDerWaalsContact OG1-OE2 3.1Å; E193-N195 VanDerWaalsContact C-N 3.35Å
194	L	91.9	Very high	92.2	Very high	46 Å²	46	58.2 Å²	58.2	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-84.4	-9.7	-179.7	-62.6	172	0	0	0	113.6	F186 Q189 T190 E192 I196 L283	F186-L194 HydrophobicContact CB-CD2 4.37Å; Q189-L194 HydrophobicContact CB-CD1 4.03Å; Q189-L194 HydrophobicContact CB-CD2 3.99Å; Q189-L194 HydrophobicContact CB-CG 3.79Å; T190-L194 WeakPolarHBondContact O-CG 3.44Å; T190-L194 PolarHBondContact O-N 3.09Å; T190-L194 VanDerWaalsContact O-N 3.11Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 2.97Å; L194-I196 HydrophobicContact CB-CD1 3.6Å; L194-I196 HydrophobicContact CB-CG1 3.67Å; L194-I196 HydrophobicContact CD1-CD1 3.67Å; L194-I196 HydrophobicContact CG-CD1 4.27Å; L194-I196 PolarHBondContact O-N 2.91Å; L194-L283 HydrophobicContact CD1-CB 3.87Å; L194-L283 HydrophobicContact CD1-CD2 3.87Å; L194-L283 HydrophobicContact CD1-CG 4.41Å
195	N	94	Very high	93.2	Very high	125 Å²	125	58.5 Å²	58.5	67%	0.668	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	42.9	-173.6	-171.3	39.7	0	0	0	113.1	L191 E192 E193	L191-N195 WeakPolarHBondContact O-CA 3.36Å; L191-N195 PolarHBondContact O-N 3.4Å; E192-N195 PolarHBondContact O-N 3.5Å; E193-N195 VanDerWaalsContact C-N 3.35Å
196	I	94.9	Very high	93.9	Very high	11 Å²	11	62.7 Å²	62.7	6%	0.056	32%	0.317	C	S	.	.			trans	-92.3	122.4	-178.4	-63.7	171.4	0	0	0	110.3	L191 L194 F199 L283 V311 D315 I316 A319	L191-I196 HydrophobicContact CD2-CB 4.17Å; L191-I196 HydrophobicContact CD2-CG2 4.4Å; L191-I196 PolarHBondContact O-N 3.04Å; L194-I196 HydrophobicContact CB-CD1 3.6Å; L194-I196 HydrophobicContact CB-CG1 3.67Å; L194-I196 HydrophobicContact CD1-CD1 3.67Å; L194-I196 HydrophobicContact CG-CD1 4.27Å; L194-I196 PolarHBondContact O-N 2.91Å; I196-F199 WeakPolarHBondContact O-CE2 3.35Å; I196-F199 WeakPolarHBondContact O-CZ 3.31Å; I196-L283 HydrophobicContact CD1-CD1 3.96Å; I196-L283 HydrophobicContact CD1-CD2 3.96Å; I196-V311 HydrophobicContact CG2-CG2 4.03Å; I196-D315 HydrophobicContact CG2-CB 3.95Å; I196-I316 HydrophobicContact CG2-CG1 4.45Å; I196-A319 HydrophobicContact CD1-CB 3.37Å; I196-A319 HydrophobicContact CG1-CB 3.77Å
197	G	94.8	Very high	94.3	Very high	20 Å²	20	64.5 Å²	64.5	21%	0.206	33%	0.333	C	S	.	.	S	Bend	trans	116.3	-177.5	177.9	0	0	0	0	0	112.4	I310	G197-I310 WeakPolarHBondContact CA-O 3.39Å
198	T	96	Very high	94.6	Very high	70 Å²	70	69.1 Å²	69.1	43%	0.429	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-107.5	124.5	176.2	-54.7	0	0	0	0	109.2	I202 G309 I310	T198-I202 HydrophobicContact CG2-CD1 3.84Å; T198-I202 WeakPolarHBondContact O-CD1 3.49Å; T198-G309 CarbonylContact O-C 3.53Å; T198-G309 WeakPolarHBondContact O-CA 3.24Å; T198-I310 PolarHBondContact N-O 3.2Å; T198-I310 PolarHBondContact O-N 3.06Å
199	F	95.8	Very high	95	Very high	63 Å²	63	65.8 Å²	65.8	28%	0.276	34%	0.341	S	S	.	.			trans	-121.8	4	-176.3	-59.4	-79.7	0	0	0	114.2	I196 V300	I196-F199 WeakPolarHBondContact O-CE2 3.35Å; I196-F199 WeakPolarHBondContact O-CZ 3.31Å; F199-V300 HydrophobicContact CE1-CB 4.25Å; F199-V300 HydrophobicContact CE1-CG1 4.11Å; F199-V300 HydrophobicContact CE1-CG2 4.02Å
200	K	93.8	Very high	95.2	Very high	172 Å²	172	64.7 Å²	64.7	75%	0.748	34%	0.34	S	S	*	.	S	Bend	trans	-128.3	147.5	179.5	-64.8	-178.6	-179.1	176.3	0	109.7	I202	K200-I202 VanDerWaalsContact C-N 3.29Å; K200-I202 PolarHBondContact O-N 3.23Å
201	N	93	Very high	95.2	Very high	161 Å²	161	63.6 Å²	63.6	86%	0.861	33%	0.333	S	S	*	.	S	Bend	trans	51.2	46.6	177.1	-56.4	-27.8	0	0	0	112.8	A203	N201-A203 PolarHBondContact O-N 3.49Å
202	I	96.1	Very high	95.3	Very high	38 Å²	38	67.7 Å²	67.7	20%	0.195	35%	0.349	C	S	.	.			trans	-70.1	117.6	-179.2	-48.9	-55.6	0	0	0	109.2	T198 K200 V204 V307 I310	T198-I202 HydrophobicContact CG2-CD1 3.84Å; T198-I202 WeakPolarHBondContact O-CD1 3.49Å; K200-I202 VanDerWaalsContact C-N 3.29Å; K200-I202 PolarHBondContact O-N 3.23Å; I202-V204 HydrophobicContact CG2-CG1 4.12Å; I202-V204 PolarHBondContact O-N 3.31Å; I202-V307 HydrophobicContact CG2-CG1 4.03Å; I202-I310 HydrophobicContact CG2-CD1 3.87Å; I202-I310 HydrophobicContact CG2-CG1 4.03Å
203	A	96.4	Very high	95.4	Very high	11 Å²	11	66.3 Å²	66.3	9%	0.091	35%	0.348	C	S	.	.			trans	-66.8	114.6	173.9	0	0	0	0	0	109.8	N201 I217 V223 L226 P227	N201-A203 PolarHBondContact O-N 3.49Å; A203-I217 HydrophobicContact CB-CG2 3.74Å; A203-V223 HydrophobicContact CB-CG2 4.36Å; A203-L226 HydrophobicContact CB-CD2 3.6Å; A203-P227 VanDerWaalsContact O-CD 3.26Å; A203-P227 WeakPolarHBondContact O-CD 3.46Å
204	V	97.1	Very high	95.6	Very high	58 Å²	58	60.1 Å²	60.1	35%	0.352	32%	0.319	S	S	.	.			trans	-126.3	159.1	177.1	-60.6	0	0	0	0	110.3	I202 P227 V229 V307	I202-V204 HydrophobicContact CG2-CG1 4.12Å; I202-V204 PolarHBondContact O-N 3.31Å; V204-P227 WeakPolarHBondContact CA-O 3.44Å; V204-P227 HydrophobicContact CG1-CB 4.18Å; V204-P227 HydrophobicContact CG1-CG 4.33Å; V204-V229 HydrophobicContact CB-CG1 4.19Å; V204-V229 HydrophobicContact CB-CG2 4.18Å; V204-V229 HydrophobicContact CG1-CG1 4.18Å; V204-V229 HydrophobicContact CG2-CG2 4.06Å; V204-V307 HydrophobicContact CG1-CG1 4.37Å
205	V	97.6	Very high	95.8	Very high	5 Å²	5	58 Å²	58	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	161.8	175.3	-65	0	0	0	0	110.2	T209 A214 I217 L226 P227 V228 V229 V260	V205-T209 HydrophobicContact CB-CG2 4.13Å; V205-T209 HydrophobicContact CG1-CG2 4.12Å; V205-A214 HydrophobicContact CG1-CB 4.33Å; V205-I217 HydrophobicContact CG1-CD1 3.67Å; V205-L226 HydrophobicContact CG1-CB 4.25Å; V205-L226 HydrophobicContact CG1-CD1 3.73Å; V205-L226 HydrophobicContact CG2-CB 4.09Å; V205-P227 PolarHBondContact N-O 3.39Å; V205-V228 HydrophobicContact CG2-CB 4.45Å; V205-V228 HydrophobicContact CG2-CG2 3.92Å; V205-V228 CarbonylContact O-C 3.25Å; V205-V228 VanDerWaalsContact O-CA 3.27Å; V205-V228 WeakPolarHBondContact O-CA 3.49Å; V205-V229 PolarHBondContact O-N 3.48Å; V205-V260 HydrophobicContact CG2-CG1 4.48Å; V205-V260 HydrophobicContact CG2-CG2 4.27Å
206	R	97.1	Very high	96	Very high	111 Å²	111	52.2 Å²	52.2	42%	0.419	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	161.8	172.6	-65.1	-179.9	76.8	165.1	-4.5	110.6	D208 T209 D231	R206-D208 WeakPolarHBondContact CB-OD1 3.41Å; R206-D208 PolarHBondContact O-N 2.95Å; R206-T209 PolarHBondContact N-OG1 3Å; R206-T209 WeakPolarHBondContact O-CB 3.16Å; R206-T209 PolarHBondContact O-N 3.25Å; R206-T209 PolarHBondContact O-OG1 3.2Å; R206-T209 VanDerWaalsContact O-OG1 3.11Å; R206-D231 IonicContact CZ-OD1 3.47Å; R206-D231 IonicContact NE-OD1 3.55Å; R206-D231 IonicContact NH2-OD1 3.08Å; R206-D231 PolarHBondContact NH2-OD1 3.22Å; R206-D231 IonicContact NH2-OD2 3.11Å; R206-D231 PolarHBondContact NH2-OD2 3.38Å
207	A	92.7	Very high	96.1	Very high	43 Å²	43	53 Å²	53	36%	0.355	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.9	179.1	0	0	0	0	0	113.6	V228 T259 T261	A207-V228 HydrophobicContact CB-CG1 4.45Å; A207-T259 WeakPolarHBondContact O-CB 3.35Å; A207-T259 PolarHBondContact O-OG1 3.4Å; A207-T261 VanDerWaalsContact CA-OG1 3.27Å; A207-T261 WeakPolarHBondContact CA-OG1 3.4Å; A207-T261 WeakPolarHBondContact CB-OG1 3.4Å; A207-T261 PolarHBondContact O-N 3.09Å; A207-T261 PolarHBondContact O-OG1 3.3Å; A207-T261 VanDerWaalsContact O-OG1 3.1Å
208	D	95.4	Very high	96.1	Very high	101 Å²	101	52.1 Å²	52.1	54%	0.54	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.9	179.9	64.9	-20.3	0	0	0	113.9	R206 T259	R206-D208 WeakPolarHBondContact CB-OD1 3.41Å; R206-D208 PolarHBondContact O-N 2.95Å; D208-T259 WeakPolarHBondContact O-CG2 3.48Å
209	T	97.4	Very high	96	Very high	23 Å²	23	50.9 Å²	50.9	14%	0.141	26%	0.264	C	S	.	.			trans	-60.2	129.7	178	-61	0	0	0	0	109.9	V205 R206 T213 T259 V260	V205-T209 HydrophobicContact CB-CG2 4.13Å; V205-T209 HydrophobicContact CG1-CG2 4.12Å; R206-T209 PolarHBondContact N-OG1 3Å; R206-T209 WeakPolarHBondContact O-CB 3.16Å; R206-T209 PolarHBondContact O-N 3.25Å; R206-T209 PolarHBondContact O-OG1 3.2Å; R206-T209 VanDerWaalsContact O-OG1 3.11Å; T209-T213 HydrophobicContact CG2-CG2 4Å; T209-T259 CarbonylContact O-C 3.53Å; T209-T259 WeakPolarHBondContact O-CA 3.22Å; T209-V260 WeakPolarHBondContact O-CG2 3.01Å; T209-V260 PolarHBondContact O-N 3.42Å
210	P	96.9	Very high	95.9	Very high	51 Å²	51	54.8 Å²	54.8	33%	0.331	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-61.9	146.2	174.9	-24.2	34.7	0	0	0	111.9	Y212 T213 A214	P210-Y212 VanDerWaalsContact C-N 3.26Å; P210-Y212 PolarHBondContact O-N 3.42Å; P210-T213 WeakPolarHBondContact O-CB 3.45Å; P210-T213 PolarHBondContact O-N 3.3Å; P210-T213 VanDerWaalsContact O-N 3.15Å; P210-A214 PolarHBondContact O-N 3.01Å; P210-A214 VanDerWaalsContact O-N 3.17Å
211	L	95.9	Very high	95.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-41.2	175.9	-76.4	-172.9	0	0	0	111.9	T213 A214 L215 Y239 L247 L256 V258 V260 A263	L211-T213 VanDerWaalsContact C-N 3.26Å; L211-T213 PolarHBondContact O-N 2.98Å; L211-A214 PolarHBondContact O-N 3.3Å; L211-A214 VanDerWaalsContact O-N 3.07Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.09Å; L211-Y239 HydrophobicContact CD2-CE1 3.9Å; L211-Y239 HydrophobicContact CD2-CE2 4.06Å; L211-Y239 WeakPolarHBondContact CD2-OH 3.3Å; L211-L247 HydrophobicContact CD1-CD1 4.01Å; L211-L247 HydrophobicContact CD1-CD2 3.85Å; L211-L256 HydrophobicContact CB-CB 4.42Å; L211-L256 WeakPolarHBondContact CB-O 3.43Å; L211-L256 PolarHBondContact N-O 3.31Å; L211-V258 HydrophobicContact CD1-CG2 3.52Å; L211-V258 HydrophobicContact CG-CG2 3.92Å; L211-V258 WeakPolarHBondContact CG-O 3.43Å; L211-V258 PolarHBondContact N-O 3.07Å; L211-V260 HydrophobicContact CD2-CG2 4.16Å; L211-A263 HydrophobicContact CD1-CB 3.79Å; L211-A263 HydrophobicContact CD2-CB 3.68Å; L211-A263 HydrophobicContact CG-CB 4.09Å
212	Y	96.4	Very high	95.7	Very high	87 Å²	87	52.5 Å²	52.5	34%	0.341	26%	0.262	S	S	.	.	H	α-helix	trans	-52.6	-45.6	177.1	178.6	-103.9	0	0	0	112.2	H94 Y97 P210 L215 G216 L256	H94-Y212 AromaticContact CD2-CE2 3.65Å; H94-Y212 AromaticContact CD2-CZ 3.96Å; H94-Y212 AromaticContact NE2-CZ 3.91Å; Y97-Y212 AromaticContact CD1-CD2 3.41Å; Y97-Y212 HydrophobicContact CD1-CD2 3.41Å; Y97-Y212 VanDerWaalsContact CD1-CD2 3.41Å; Y97-Y212 AromaticContact CD1-CE2 3.91Å; Y97-Y212 HydrophobicContact CD1-CE2 3.91Å; Y97-Y212 AromaticContact CD1-CG 3.97Å; Y97-Y212 HydrophobicContact CD1-CG 3.97Å; Y97-Y212 HydrophobicContact CE1-CD2 4.18Å; Y97-Y212 HydrophobicContact CE1-CG 4.3Å; Y97-Y212 HydrophobicContact CG-CD2 4.12Å; P210-Y212 VanDerWaalsContact C-N 3.26Å; P210-Y212 PolarHBondContact O-N 3.42Å; Y212-L215 PolarHBondContact O-N 3.34Å; Y212-G216 PolarHBondContact O-N 3Å; Y212-L256 PolarHBondContact N-O 3.2Å
213	T	97.2	Very high	95.5	Very high	67 Å²	67	52.5 Å²	52.5	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-44.9	176.5	-52.5	0	0	0	0	111.6	T209 P210 L211 L215 G216 I217	T209-T213 HydrophobicContact CG2-CG2 4Å; P210-T213 WeakPolarHBondContact O-CB 3.45Å; P210-T213 PolarHBondContact O-N 3.3Å; P210-T213 VanDerWaalsContact O-N 3.15Å; L211-T213 VanDerWaalsContact C-N 3.26Å; L211-T213 PolarHBondContact O-N 2.98Å; T213-L215 VanDerWaalsContact C-N 3.32Å; T213-L215 PolarHBondContact O-N 2.71Å; T213-G216 PolarHBondContact O-N 3.3Å; T213-I217 WeakPolarHBondContact O-CG1 3.17Å; T213-I217 PolarHBondContact O-N 3.03Å; T213-I217 VanDerWaalsContact O-N 3.09Å
214	A	97.2	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-38.9	176.8	0	0	0	0	0	112.5	V205 P210 L211 I217 F218 L226 Y239 V260	V205-A214 HydrophobicContact CG1-CB 4.33Å; P210-A214 PolarHBondContact O-N 3.01Å; P210-A214 VanDerWaalsContact O-N 3.17Å; L211-A214 PolarHBondContact O-N 3.3Å; L211-A214 VanDerWaalsContact O-N 3.07Å; A214-I217 PolarHBondContact O-N 3.34Å; A214-F218 WeakPolarHBondContact O-CD2 3.4Å; A214-F218 PolarHBondContact O-N 3.31Å; A214-F218 VanDerWaalsContact O-N 3.15Å; A214-L226 HydrophobicContact CB-CD1 4.01Å; A214-Y239 HydrophobicContact CB-CD1 4.22Å; A214-Y239 HydrophobicContact CB-CE1 4.34Å; A214-V260 HydrophobicContact CB-CG2 3.98Å
215	L	96.6	Very high	95.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-40.4	173.9	-63.9	177.2	0	0	0	111.4	I90 L93 H94 L211 Y212 T213 I217 F218 V219 V244 L256	I90-L215 HydrophobicContact CB-CD2 4.39Å; I90-L215 HydrophobicContact CG1-CD2 3.95Å; I90-L215 HydrophobicContact CG2-CB 4.3Å; I90-L215 HydrophobicContact CG2-CD2 3.98Å; L93-L215 HydrophobicContact CB-CD1 4.05Å; L93-L215 HydrophobicContact CD1-CD1 4.26Å; H94-L215 HydrophobicContact CB-CB 4.41Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.09Å; Y212-L215 PolarHBondContact O-N 3.34Å; T213-L215 VanDerWaalsContact C-N 3.32Å; T213-L215 PolarHBondContact O-N 2.71Å; L215-I217 VanDerWaalsContact C-N 3.35Å; L215-I217 PolarHBondContact O-N 3.47Å; L215-F218 HydrophobicContact CD2-CD2 4.31Å; L215-F218 WeakPolarHBondContact O-CB 3.48Å; L215-F218 PolarHBondContact O-N 3.13Å; L215-F218 VanDerWaalsContact O-N 3.14Å; L215-V219 WeakPolarHBondContact O-CG2 3.28Å; L215-V219 PolarHBondContact O-N 3.2Å; L215-V219 VanDerWaalsContact O-N 3.08Å; L215-V244 HydrophobicContact CD2-CB 4.39Å; L215-V244 HydrophobicContact CD2-CG1 3.7Å; L215-V244 HydrophobicContact CD2-CG2 3.7Å; L215-L256 HydrophobicContact CD1-CD1 3.87Å; L215-L256 HydrophobicContact CD1-CD2 4.4Å
216	G	97	Very high	95.2	Very high	4 Å²	4	50.1 Å²	50.1	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-56.8	-46.5	173.5	0	0	0	0	0	112.4	H94 Y212 T213 F218 V219 E220	H94-G216 VanDerWaalsContact CD2-CA 3.47Å; H94-G216 WeakPolarHBondContact CD2-CA 3.14Å; H94-G216 PolarHBondContact CD2-N 2.94Å; H94-G216 VanDerWaalsContact NE2-CA 3.25Å; H94-G216 WeakPolarHBondContact NE2-CA 3.5Å; Y212-G216 PolarHBondContact O-N 3Å; T213-G216 PolarHBondContact O-N 3.3Å; G216-F218 VanDerWaalsContact C-N 3.3Å; G216-F218 PolarHBondContact O-N 3.26Å; G216-V219 PolarHBondContact O-N 3.23Å; G216-E220 WeakPolarHBondContact O-CG 3.49Å; G216-E220 PolarHBondContact O-N 3.07Å
217	I	97.2	Very high	95.2	Very high	27 Å²	27	44.9 Å²	44.9	14%	0.138	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-39.8	176.1	-60.2	167.9	0	0	0	111.3	A203 V205 T213 A214 L215 V219 Q221 L226	A203-I217 HydrophobicContact CB-CG2 3.74Å; V205-I217 HydrophobicContact CG1-CD1 3.67Å; T213-I217 WeakPolarHBondContact O-CG1 3.17Å; T213-I217 PolarHBondContact O-N 3.03Å; T213-I217 VanDerWaalsContact O-N 3.09Å; A214-I217 PolarHBondContact O-N 3.34Å; L215-I217 VanDerWaalsContact C-N 3.35Å; L215-I217 PolarHBondContact O-N 3.47Å; I217-V219 VanDerWaalsContact C-N 3.31Å; I217-V219 PolarHBondContact O-N 3.37Å; I217-Q221 HydrophobicContact CG2-CG 4.26Å; I217-Q221 WeakPolarHBondContact O-CB 3.36Å; I217-Q221 PolarHBondContact O-N 3.21Å; I217-L226 HydrophobicContact CB-CD1 4.11Å; I217-L226 HydrophobicContact CB-CD2 4.38Å; I217-L226 HydrophobicContact CD1-CD1 4.4Å; I217-L226 HydrophobicContact CG2-CD1 4.17Å; I217-L226 HydrophobicContact CG2-CD2 3.54Å
218	F	96.2	Very high	95.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-35.3	175.5	-76	-45.9	0	0	0	113.9	I90 A214 L215 G216 R222 V223 L226 Y239 K241 V244	I90-F218 HydrophobicContact CD1-CD2 4.2Å; I90-F218 HydrophobicContact CD1-CG 4.5Å; I90-F218 HydrophobicContact CG2-CB 4.04Å; A214-F218 WeakPolarHBondContact O-CD2 3.4Å; A214-F218 PolarHBondContact O-N 3.31Å; A214-F218 VanDerWaalsContact O-N 3.15Å; L215-F218 HydrophobicContact CD2-CD2 4.31Å; L215-F218 WeakPolarHBondContact O-CB 3.48Å; L215-F218 PolarHBondContact O-N 3.13Å; L215-F218 VanDerWaalsContact O-N 3.14Å; G216-F218 VanDerWaalsContact C-N 3.3Å; G216-F218 PolarHBondContact O-N 3.26Å; F218-R222 WeakPolarHBondContact O-CA 3.34Å; F218-R222 PolarHBondContact O-N 3.37Å; F218-V223 HydrophobicContact CD1-CG2 3.98Å; F218-V223 WeakPolarHBondContact CD1-O 3.3Å; F218-V223 HydrophobicContact CE1-CG2 4.33Å; F218-L226 HydrophobicContact CD1-CD1 4.41Å; F218-L226 HydrophobicContact CD1-CG 4.27Å; F218-L226 HydrophobicContact CE1-CD1 4.04Å; F218-L226 HydrophobicContact CE1-CD2 4.26Å; F218-L226 HydrophobicContact CE1-CG 3.65Å; F218-L226 HydrophobicContact CE2-CD1 4.22Å; F218-L226 HydrophobicContact CZ-CD1 3.94Å; F218-L226 HydrophobicContact CZ-CG 3.83Å; F218-Y239 AromaticContact CE2-CD1 3.81Å; F218-Y239 HydrophobicContact CE2-CD1 3.81Å; F218-Y239 AromaticContact CE2-CE1 3.88Å; F218-Y239 HydrophobicContact CE2-CE1 3.88Å; F218-Y239 HydrophobicContact CZ-CD1 4.12Å; F218-Y239 WeakPolarHBondContact CZ-O 3.31Å; F218-K241 HydrophobicContact CD1-CG 3.92Å; F218-K241 HydrophobicContact CD2-CG 4.39Å; F218-K241 HydrophobicContact CE1-CG 3.97Å; F218-K241 HydrophobicContact CE2-CG 4.43Å; F218-K241 HydrophobicContact CG-CG 4.16Å; F218-K241 HydrophobicContact CZ-CG 4.23Å; F218-V244 HydrophobicContact CE2-CG2 4.16Å
219	V	93.4	Very high	95.4	Very high	45 Å²	45	38.7 Å²	38.7	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-73.5	-49.4	179.1	174.8	0	0	0	0	110.1	I90 H94 L215 G216 I217	I90-V219 HydrophobicContact CG2-CG2 3.89Å; H94-V219 HydrophobicContact CB-CG2 4.06Å; L215-V219 WeakPolarHBondContact O-CG2 3.28Å; L215-V219 PolarHBondContact O-N 3.2Å; L215-V219 VanDerWaalsContact O-N 3.08Å; G216-V219 PolarHBondContact O-N 3.23Å; I217-V219 VanDerWaalsContact C-N 3.31Å; I217-V219 PolarHBondContact O-N 3.37Å
220	E	93.3	Very high	95.4	Very high	145 Å²	145	39.2 Å²	39.2	68%	0.678	19%	0.193	S	C	*	.	H	α-helix	trans	-70.2	-52.8	-174.7	-69.5	172.6	-174.8	0	0	112.3	G216	G216-E220 WeakPolarHBondContact O-CG 3.49Å; G216-E220 PolarHBondContact O-N 3.07Å
221	Q	92.8	Very high	95.3	Very high	95 Å²	95	43.3 Å²	43.3	44%	0.444	21%	0.212	S	C	.	.	S	Bend	trans	-90.9	-4.9	-172.7	-54.5	-167.5	21	0	0	112.9	I217 V223	I217-Q221 HydrophobicContact CG2-CG 4.26Å; I217-Q221 WeakPolarHBondContact O-CB 3.36Å; I217-Q221 PolarHBondContact O-N 3.21Å; Q221-V223 HydrophobicContact CB-CG1 4.17Å; Q221-V223 HydrophobicContact CB-CG2 4.49Å; Q221-V223 PolarHBondContact O-N 3.49Å
222	R	90.1	Very high	95.3	Very high	190 Å²	190	50.8 Å²	50.8	72%	0.717	25%	0.245	S	C	*	.			trans	53.3	24.2	179.1	-59	-175	178.6	177.6	4.7	114.7	F218	F218-R222 WeakPolarHBondContact O-CA 3.34Å; F218-R222 PolarHBondContact O-N 3.37Å
223	V	92.8	Very high	95.2	Very high	38 Å²	38	47.8 Å²	47.8	23%	0.23	24%	0.24	C	C	.	.			trans	-76.9	162.9	177.1	-62.8	0	0	0	0	111.8	A203 F218 Q221 L226 K241	A203-V223 HydrophobicContact CB-CG2 4.36Å; F218-V223 HydrophobicContact CD1-CG2 3.98Å; F218-V223 WeakPolarHBondContact CD1-O 3.3Å; F218-V223 HydrophobicContact CE1-CG2 4.33Å; Q221-V223 HydrophobicContact CB-CG1 4.17Å; Q221-V223 HydrophobicContact CB-CG2 4.49Å; Q221-V223 PolarHBondContact O-N 3.49Å; V223-L226 HydrophobicContact CG2-CD2 3.58Å; V223-K241 WeakPolarHBondContact O-CE 3.41Å; V223-K241 PolarHBondContact O-NZ 3.06Å
224	S	91.9	Very high	95.2	Very high	22 Å²	22	49.5 Å²	49.5	15%	0.154	24%	0.239	C	C	.	.	S	Bend	trans	-101.7	-13.2	-177.3	59.7	0	0	0	0	114.9	K241 R297	S224-K241 PolarHBondContact O-N 3.31Å; S224-R297 PolarHBondContact OG-NE 2.81Å; S224-R297 PolarHBondContact OG-NH1 3.3Å; S224-R297 PolarHBondContact OG-NH2 3.25Å
225	A	94.8	Very high	95.2	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	158.4	174.7	0	0	0	0	0	110.5	I238 Y239 R297	A225-I238 HydrophobicContact CB-CD1 3.95Å; A225-I238 HydrophobicContact CB-CG1 3.96Å; A225-Y239 CarbonylContact C-O 3.55Å; A225-Y239 VanDerWaalsContact CA-O 3.26Å; A225-Y239 WeakPolarHBondContact CA-O 3.28Å; A225-R297 PolarHBondContact O-NH1 3.07Å
226	L	96.9	Very high	95	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.1	-178.3	-56.2	173.7	0	0	0	107.6	A203 V205 A214 I217 F218 V223 V228 Y239	A203-L226 HydrophobicContact CB-CD2 3.6Å; V205-L226 HydrophobicContact CG1-CB 4.25Å; V205-L226 HydrophobicContact CG1-CD1 3.73Å; V205-L226 HydrophobicContact CG2-CB 4.09Å; A214-L226 HydrophobicContact CB-CD1 4.01Å; I217-L226 HydrophobicContact CB-CD1 4.11Å; I217-L226 HydrophobicContact CB-CD2 4.38Å; I217-L226 HydrophobicContact CD1-CD1 4.4Å; I217-L226 HydrophobicContact CG2-CD1 4.17Å; I217-L226 HydrophobicContact CG2-CD2 3.54Å; F218-L226 HydrophobicContact CD1-CD1 4.41Å; F218-L226 HydrophobicContact CD1-CG 4.27Å; F218-L226 HydrophobicContact CE1-CD1 4.04Å; F218-L226 HydrophobicContact CE1-CD2 4.26Å; F218-L226 HydrophobicContact CE1-CG 3.65Å; F218-L226 HydrophobicContact CE2-CD1 4.22Å; F218-L226 HydrophobicContact CZ-CD1 3.94Å; F218-L226 HydrophobicContact CZ-CG 3.83Å; V223-L226 HydrophobicContact CG2-CD2 3.58Å; L226-V228 PolarHBondContact O-N 3.5Å; L226-Y239 PolarHBondContact N-O 3.22Å; L226-Y239 PolarHBondContact O-N 3.32Å
227	P	96.9	Very high	94.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	134.3	166.3	-21.1	33.9	0	0	0	109.6	A203 V204 V205 V235 V299 V307 I310	A203-P227 VanDerWaalsContact O-CD 3.26Å; A203-P227 WeakPolarHBondContact O-CD 3.46Å; V204-P227 WeakPolarHBondContact CA-O 3.44Å; V204-P227 HydrophobicContact CG1-CB 4.18Å; V204-P227 HydrophobicContact CG1-CG 4.33Å; V205-P227 PolarHBondContact N-O 3.39Å; P227-V235 HydrophobicContact CB-CG2 4.3Å; P227-V299 HydrophobicContact CB-CG1 4.36Å; P227-V299 HydrophobicContact CB-CG2 4.37Å; P227-V299 HydrophobicContact CG-CG1 4.2Å; P227-V299 HydrophobicContact CG-CG2 4.07Å; P227-V307 HydrophobicContact CB-CG2 4.11Å; P227-V307 HydrophobicContact CG-CG1 4.38Å; P227-I310 HydrophobicContact CG-CD1 3.82Å; P227-I310 HydrophobicContact CG-CG1 4.28Å
228	V	96.7	Very high	94.7	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.2	171.2	-171.1	0	0	0	0	107	V205 A207 L226 V236 D237 V260 L264	V205-V228 HydrophobicContact CG2-CB 4.45Å; V205-V228 HydrophobicContact CG2-CG2 3.92Å; V205-V228 CarbonylContact O-C 3.25Å; V205-V228 VanDerWaalsContact O-CA 3.27Å; V205-V228 WeakPolarHBondContact O-CA 3.49Å; A207-V228 HydrophobicContact CB-CG1 4.45Å; L226-V228 PolarHBondContact O-N 3.5Å; V228-V236 HydrophobicContact CB-CG2 4.23Å; V228-V236 HydrophobicContact CG1-CG2 3.95Å; V228-V236 WeakPolarHBondContact O-CG2 3.42Å; V228-V236 PolarHBondContact O-N 2.81Å; V228-D237 HydrophobicContact CB-CB 3.84Å; V228-D237 WeakPolarHBondContact CB-O 3.35Å; V228-D237 HydrophobicContact CG1-CB 4.5Å; V228-D237 HydrophobicContact CG2-CB 3.93Å; V228-D237 PolarHBondContact N-O 2.8Å; V228-D237 PolarHBondContact O-N 3.35Å; V228-V260 HydrophobicContact CG2-CG1 3.8Å; V228-L264 HydrophobicContact CG2-CD1 4.16Å
229	V	96.9	Very high	94.6	Very high	14 Å²	14	54.9 Å²	54.9	9%	0.085	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.9	-175.1	-59.2	0	0	0	0	112.6	V204 V205 R234 V307	V204-V229 HydrophobicContact CB-CG1 4.19Å; V204-V229 HydrophobicContact CB-CG2 4.18Å; V204-V229 HydrophobicContact CG1-CG1 4.18Å; V204-V229 HydrophobicContact CG2-CG2 4.06Å; V205-V229 PolarHBondContact O-N 3.48Å; V229-R234 CarbonylContact C-O 3.57Å; V229-R234 WeakPolarHBondContact CA-O 3.18Å; V229-R234 WeakPolarHBondContact CB-O 3.15Å; V229-V307 HydrophobicContact CG1-CB 4.5Å; V229-V307 HydrophobicContact CG1-CG2 3.62Å
230	D	95.8	Very high	94.6	Very high	35 Å²	35	53.7 Å²	53.7	19%	0.187	26%	0.264	C	S	.	.			trans	-83	-178	168.8	78.1	3.1	0	0	0	112.6	K232 G233 R234 V236	D230-K232 PolarHBondContact O-N 2.96Å; D230-K232 VanDerWaalsContact O-N 3.16Å; D230-K232 WeakPolarHBondContact OD1-CA 3.28Å; D230-K232 WeakPolarHBondContact OD1-CB 3.43Å; D230-K232 PolarHBondContact OD1-N 3.47Å; D230-G233 PolarHBondContact O-N 3.34Å; D230-G233 PolarHBondContact OD1-N 2.69Å; D230-G233 VanDerWaalsContact OD1-N 3.09Å; D230-R234 PolarHBondContact N-O 2.91Å; D230-R234 WeakPolarHBondContact OD1-CB 3.48Å; D230-R234 PolarHBondContact OD1-N 2.85Å; D230-R234 IonicContact OD1-NE 2.67Å; D230-R234 IonicContact OD2-CZ 3.58Å; D230-R234 IonicContact OD2-NE 2.98Å; D230-R234 PolarHBondContact OD2-NE 2.99Å; D230-R234 IonicContact OD2-NH2 3.36Å; D230-R234 PolarHBondContact OD2-NH2 3.46Å; D230-V236 HydrophobicContact CB-CG1 4.08Å
231	D	95.4	Very high	94.5	Very high	136 Å²	136	48.2 Å²	48.2	73%	0.727	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21	-178.8	-61.4	17.9	0	0	0	113.6	R206	R206-D231 IonicContact CZ-OD1 3.47Å; R206-D231 IonicContact NE-OD1 3.55Å; R206-D231 IonicContact NH2-OD1 3.08Å; R206-D231 PolarHBondContact NH2-OD1 3.22Å; R206-D231 IonicContact NH2-OD2 3.11Å; R206-D231 PolarHBondContact NH2-OD2 3.38Å
232	K	95.8	Very high	94.3	Very high	158 Å²	158	47.6 Å²	47.6	69%	0.687	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	3.1	177	-61	-176.3	179.8	-176.5	0	111.9	D230 R234	D230-K232 PolarHBondContact O-N 2.96Å; D230-K232 VanDerWaalsContact O-N 3.16Å; D230-K232 WeakPolarHBondContact OD1-CA 3.28Å; D230-K232 WeakPolarHBondContact OD1-CB 3.43Å; D230-K232 PolarHBondContact OD1-N 3.47Å; K232-R234 VanDerWaalsContact C-N 3.3Å; K232-R234 HydrophobicContact CB-CG 4.17Å
233	G	95.2	Very high	94.3	Very high	24 Å²	24	38.8 Å²	38.8	25%	0.247	20%	0.201	C	C	.	.	S	Bend	trans	77.7	12.9	-177.7	0	0	0	0	0	114.1	D230 V306 V307	D230-G233 PolarHBondContact O-N 3.34Å; D230-G233 PolarHBondContact OD1-N 2.69Å; D230-G233 VanDerWaalsContact OD1-N 3.09Å; G233-V306 WeakPolarHBondContact O-CA 3.29Å; G233-V307 PolarHBondContact O-N 3.32Å
234	R	96.8	Very high	94.2	Very high	103 Å²	103	37 Å²	37	39%	0.389	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-79.9	138.4	179.1	-56.3	-178.1	-65.4	168.9	6.8	110.5	V229 D230 K232 V236 N304 E305 V306	V229-R234 CarbonylContact C-O 3.57Å; V229-R234 WeakPolarHBondContact CA-O 3.18Å; V229-R234 WeakPolarHBondContact CB-O 3.15Å; D230-R234 PolarHBondContact N-O 2.91Å; D230-R234 WeakPolarHBondContact OD1-CB 3.48Å; D230-R234 PolarHBondContact OD1-N 2.85Å; D230-R234 IonicContact OD1-NE 2.67Å; D230-R234 IonicContact OD2-CZ 3.58Å; D230-R234 IonicContact OD2-NE 2.98Å; D230-R234 PolarHBondContact OD2-NE 2.99Å; D230-R234 IonicContact OD2-NH2 3.36Å; D230-R234 PolarHBondContact OD2-NH2 3.46Å; K232-R234 VanDerWaalsContact C-N 3.3Å; K232-R234 HydrophobicContact CB-CG 4.17Å; R234-V236 PolarHBondContact O-N 3.38Å; R234-N304 WeakPolarHBondContact CD-O 3.42Å; R234-N304 WeakPolarHBondContact CG-O 3.45Å; R234-E305 CarbonylContact C-O 3.56Å; R234-E305 VanDerWaalsContact CA-O 3.24Å; R234-E305 WeakPolarHBondContact CA-O 3.39Å; R234-E305 HydrophobicContact CB-CB 4.28Å; R234-V306 HydrophobicContact CG-CG2 3.97Å
235	V	95.9	Very high	94	Very high	17 Å²	17	36.6 Å²	36.6	10%	0.103	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.9	179.1	68.3	0	0	0	0	110.7	P227 V274 T276 V299 V301 E305 V307	P227-V235 HydrophobicContact CB-CG2 4.3Å; V235-V274 HydrophobicContact CG2-CB 4.25Å; V235-V274 HydrophobicContact CG2-CG1 3.92Å; V235-V274 HydrophobicContact CG2-CG2 4.17Å; V235-T276 HydrophobicContact CG1-CG2 3.78Å; V235-V299 HydrophobicContact CB-CG1 4.5Å; V235-V299 HydrophobicContact CG2-CG1 4.28Å; V235-V301 HydrophobicContact CB-CG1 4.5Å; V235-V301 HydrophobicContact CG1-CG1 3.72Å; V235-E305 PolarHBondContact N-O 3.03Å; V235-V307 HydrophobicContact CB-CG2 3.77Å; V235-V307 HydrophobicContact CG2-CG2 4.34Å
236	V	93.8	Very high	93.5	Very high	76 Å²	76	38.4 Å²	38.4	46%	0.461	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	-29.6	178.9	-62.9	0	0	0	0	112.7	V228 D230 R234	V228-V236 HydrophobicContact CB-CG2 4.23Å; V228-V236 HydrophobicContact CG1-CG2 3.95Å; V228-V236 WeakPolarHBondContact O-CG2 3.42Å; V228-V236 PolarHBondContact O-N 2.81Å; D230-V236 HydrophobicContact CB-CG1 4.08Å; R234-V236 PolarHBondContact O-N 3.38Å
237	D	93.5	Very high	93	Very high	28 Å²	28	38.8 Å²	38.8	15%	0.15	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	179.5	176.3	-147.6	-36.4	0	0	0	110.5	V228 L264 R267 F271	V228-D237 HydrophobicContact CB-CB 3.84Å; V228-D237 WeakPolarHBondContact CB-O 3.35Å; V228-D237 HydrophobicContact CG1-CB 4.5Å; V228-D237 HydrophobicContact CG2-CB 3.93Å; V228-D237 PolarHBondContact N-O 2.8Å; V228-D237 PolarHBondContact O-N 3.35Å; D237-L264 HydrophobicContact CB-CD1 4.05Å; D237-L264 WeakPolarHBondContact OD2-CD1 3.45Å; D237-R267 IonicContact OD1-NH1 3.17Å; D237-R267 PolarHBondContact OD1-NH1 2.95Å; D237-F271 WeakPolarHBondContact OD1-CZ 3.47Å
238	I	93.6	Very high	92.4	Very high	24 Å²	24	38.8 Å²	38.8	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	119.3	174.3	-170.7	171.1	0	0	0	110.5	A225 R267 V274 R297 V299	A225-I238 HydrophobicContact CB-CD1 3.95Å; A225-I238 HydrophobicContact CB-CG1 3.96Å; I238-R267 PolarHBondContact O-NH1 3.12Å; I238-R267 PolarHBondContact O-NH2 3.39Å; I238-V274 HydrophobicContact CB-CG1 4.14Å; I238-V274 HydrophobicContact CB-CG2 4.26Å; I238-V274 HydrophobicContact CG2-CG1 4.22Å; I238-V274 HydrophobicContact CG2-CG2 4.22Å; I238-R297 HydrophobicContact CD1-CG 4.28Å; I238-V299 HydrophobicContact CD1-CG2 4.1Å
239	Y	94.6	Very high	91.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.5	174.3	-167.7	-114.6	0	0	0	110.1	L211 A214 F218 A225 L226 D243 V244 V260 A263 L264	L211-Y239 HydrophobicContact CD2-CE1 3.9Å; L211-Y239 HydrophobicContact CD2-CE2 4.06Å; L211-Y239 WeakPolarHBondContact CD2-OH 3.3Å; A214-Y239 HydrophobicContact CB-CD1 4.22Å; A214-Y239 HydrophobicContact CB-CE1 4.34Å; F218-Y239 AromaticContact CE2-CD1 3.81Å; F218-Y239 HydrophobicContact CE2-CD1 3.81Å; F218-Y239 AromaticContact CE2-CE1 3.88Å; F218-Y239 HydrophobicContact CE2-CE1 3.88Å; F218-Y239 HydrophobicContact CZ-CD1 4.12Å; F218-Y239 WeakPolarHBondContact CZ-O 3.31Å; A225-Y239 CarbonylContact C-O 3.55Å; A225-Y239 VanDerWaalsContact CA-O 3.26Å; A225-Y239 WeakPolarHBondContact CA-O 3.28Å; L226-Y239 PolarHBondContact N-O 3.22Å; L226-Y239 PolarHBondContact O-N 3.32Å; Y239-D243 HydrophobicContact CD2-CB 3.85Å; Y239-D243 HydrophobicContact CE2-CB 3.53Å; Y239-V244 HydrophobicContact CE1-CG2 3.96Å; Y239-V260 HydrophobicContact CD2-CG1 3.96Å; Y239-V260 HydrophobicContact CG-CG1 3.82Å; Y239-A263 HydrophobicContact CE2-CB 4.21Å; Y239-L264 HydrophobicContact CD2-CD1 4.29Å; Y239-L264 HydrophobicContact CD2-CD2 3.82Å; Y239-L264 HydrophobicContact CD2-CG 3.88Å
240	S	93.2	Very high	91	Very high	21 Å²	21	43.7 Å²	43.7	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	161.9	-176.4	75.9	0	0	0	0	112.1	F242 D243	S240-F242 PolarHBondContact O-N 3.01Å; S240-F242 VanDerWaalsContact O-N 3.08Å; S240-F242 WeakPolarHBondContact OG-CB 3.49Å; S240-F242 PolarHBondContact OG-N 2.88Å; S240-D243 WeakPolarHBondContact CA-OD2 3.25Å; S240-D243 WeakPolarHBondContact CB-OD2 3.46Å; S240-D243 PolarHBondContact N-OD2 2.9Å; S240-D243 WeakPolarHBondContact O-CB 3.28Å; S240-D243 PolarHBondContact O-N 3.22Å; S240-D243 PolarHBondContact OG-N 3.31Å; S240-D243 PolarHBondContact OG-OD2 3Å
241	K	91.8	Very high	90.5	Very high	29 Å²	29	48.5 Å²	48.5	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-54.8	-28.2	169.6	-68.6	-170.5	163.7	160.1	0	111.9	I86 I90 F218 V223 S224 D243 V244	I86-K241 WeakPolarHBondContact CG2-O 3.36Å; I90-K241 HydrophobicContact CD1-CB 3.81Å; I90-K241 HydrophobicContact CD1-CD 3.8Å; I90-K241 HydrophobicContact CD1-CG 3.46Å; I90-K241 VanDerWaalsContact CD1-CG 3.46Å; F218-K241 HydrophobicContact CD1-CG 3.92Å; F218-K241 HydrophobicContact CD2-CG 4.39Å; F218-K241 HydrophobicContact CE1-CG 3.97Å; F218-K241 HydrophobicContact CE2-CG 4.43Å; F218-K241 HydrophobicContact CG-CG 4.16Å; F218-K241 HydrophobicContact CZ-CG 4.23Å; V223-K241 WeakPolarHBondContact O-CE 3.41Å; V223-K241 PolarHBondContact O-NZ 3.06Å; S224-K241 PolarHBondContact O-N 3.31Å; K241-D243 VanDerWaalsContact C-N 3.3Å; K241-D243 PolarHBondContact O-N 3.31Å; K241-V244 PolarHBondContact O-N 2.92Å
242	F	87.4	Confident	90.1	Very high	82 Å²	82	44.7 Å²	44.7	36%	0.36	23%	0.228	S	C	.	.	H	α-helix	trans	-65	-34	176.5	177.9	-107.2	0	0	0	112.2	R68 I86 S240 V244 I245	R68-F242 HydrophobicContact CG-CD2 4.19Å; R68-F242 HydrophobicContact CG-CE2 4.17Å; R68-F242 VanDerWaalsContact NE-CD2 3.34Å; I86-F242 HydrophobicContact CD1-CD2 4.3Å; S240-F242 PolarHBondContact O-N 3.01Å; S240-F242 VanDerWaalsContact O-N 3.08Å; S240-F242 WeakPolarHBondContact OG-CB 3.49Å; S240-F242 PolarHBondContact OG-N 2.88Å; F242-V244 VanDerWaalsContact C-N 3.28Å; F242-V244 PolarHBondContact O-N 3.37Å; F242-I245 WeakPolarHBondContact O-CG2 3.39Å; F242-I245 PolarHBondContact O-N 3.42Å
243	D	90.1	Very high	89.6	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.032	20%	0.196	C	C	.	.	H	α-helix	trans	-72.2	-25.3	-179.2	-54.4	-62.4	0	0	0	112.5	Y239 S240 K241 I245 N246 R267	Y239-D243 HydrophobicContact CD2-CB 3.85Å; Y239-D243 HydrophobicContact CE2-CB 3.53Å; S240-D243 WeakPolarHBondContact CA-OD2 3.25Å; S240-D243 WeakPolarHBondContact CB-OD2 3.46Å; S240-D243 PolarHBondContact N-OD2 2.9Å; S240-D243 WeakPolarHBondContact O-CB 3.28Å; S240-D243 PolarHBondContact O-N 3.22Å; S240-D243 PolarHBondContact OG-N 3.31Å; S240-D243 PolarHBondContact OG-OD2 3Å; K241-D243 VanDerWaalsContact C-N 3.3Å; K241-D243 PolarHBondContact O-N 3.31Å; D243-I245 PolarHBondContact O-N 3.25Å; D243-N246 WeakPolarHBondContact O-CB 3.48Å; D243-N246 PolarHBondContact O-N 3.28Å; D243-R267 IonicContact OD1-CZ 3.88Å; D243-R267 IonicContact OD1-NE 2.67Å; D243-R267 PolarHBondContact OD1-NE 3.27Å; D243-R267 IonicContact OD1-NH2 3.59Å; D243-R267 PolarHBondContact OD1-NH2 3.17Å; D243-R267 IonicContact OD2-CZ 2.82Å; D243-R267 IonicContact OD2-NE 3.99Å; D243-R267 IonicContact OD2-NH2 3.2Å; D243-R267 PolarHBondContact OD2-NH2 3.31Å
244	V	91.6	Very high	89.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-32.7	177.7	-172.8	0	0	0	0	111.4	I86 F89 I90 L93 L215 F218 Y239 K241 F242 N246 L247	I86-V244 HydrophobicContact CG2-CB 4.39Å; F89-V244 HydrophobicContact CD1-CG1 4.02Å; F89-V244 HydrophobicContact CE1-CG1 4.27Å; I90-V244 HydrophobicContact CD1-CB 4.39Å; I90-V244 HydrophobicContact CD1-CG2 4.02Å; I90-V244 HydrophobicContact CG1-CB 4.08Å; I90-V244 HydrophobicContact CG1-CG1 3.77Å; I90-V244 HydrophobicContact CG1-CG2 4Å; L93-V244 HydrophobicContact CD1-CG1 4.21Å; L215-V244 HydrophobicContact CD2-CB 4.39Å; L215-V244 HydrophobicContact CD2-CG1 3.7Å; L215-V244 HydrophobicContact CD2-CG2 3.7Å; F218-V244 HydrophobicContact CE2-CG2 4.16Å; Y239-V244 HydrophobicContact CE1-CG2 3.96Å; K241-V244 PolarHBondContact O-N 2.92Å; F242-V244 VanDerWaalsContact C-N 3.28Å; F242-V244 PolarHBondContact O-N 3.37Å; V244-N246 PolarHBondContact O-N 2.8Å; V244-L247 HydrophobicContact CG1-CD1 4.05Å; V244-L247 VanDerWaalsContact O-CB 3.3Å; V244-L247 WeakPolarHBondContact O-CB 3.48Å; V244-L247 WeakPolarHBondContact O-CG 3.14Å; V244-L247 PolarHBondContact O-N 3.37Å; V244-L247 VanDerWaalsContact O-N 3.09Å
245	I	86.9	Confident	88.9	Confident	13 Å²	13	36.6 Å²	36.6	7%	0.067	19%	0.194	C	C	.	.	H	α-helix	trans	-66.6	-21.5	-179	-155.2	61.6	0	0	0	112.4	F59 V63 I86 F89 F242 D243 L247 A248 A249	F59-I245 HydrophobicContact CD1-CD1 4.1Å; V63-I245 HydrophobicContact CG2-CD1 4.42Å; V63-I245 HydrophobicContact CG2-CG1 3.73Å; I86-I245 HydrophobicContact CD1-CB 4.18Å; I86-I245 HydrophobicContact CD1-CG2 4.46Å; I86-I245 HydrophobicContact CG1-CB 4.33Å; I86-I245 HydrophobicContact CG1-CD1 4.31Å; I86-I245 HydrophobicContact CG1-CG1 4.43Å; I86-I245 HydrophobicContact CG2-CB 4.14Å; I86-I245 HydrophobicContact CG2-CD1 4.32Å; F89-I245 HydrophobicContact CD1-CD1 4.17Å; F242-I245 WeakPolarHBondContact O-CG2 3.39Å; F242-I245 PolarHBondContact O-N 3.42Å; D243-I245 PolarHBondContact O-N 3.25Å; I245-L247 PolarHBondContact O-N 2.85Å; I245-A248 HydrophobicContact CD1-CB 4.37Å; I245-A248 WeakPolarHBondContact O-CB 3.24Å; I245-A248 PolarHBondContact O-N 3.3Å; I245-A249 PolarHBondContact O-N 2.85Å
246	N	85	Confident	88.8	Confident	40 Å²	40	35.8 Å²	35.8	21%	0.214	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-27.2	176.3	-63.5	-21.9	0	0	0	111.5	D243 V244 A248 A249 E250	D243-N246 WeakPolarHBondContact O-CB 3.48Å; D243-N246 PolarHBondContact O-N 3.28Å; V244-N246 PolarHBondContact O-N 2.8Å; N246-A248 PolarHBondContact O-N 3.49Å; N246-A249 WeakPolarHBondContact O-CB 3.05Å; N246-A249 PolarHBondContact O-N 2.88Å; N246-A249 VanDerWaalsContact O-N 3.13Å; N246-E250 WeakPolarHBondContact O-CG 3.41Å; N246-E250 PolarHBondContact O-N 3.41Å
247	L	86.6	Confident	88.8	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-60	-36.1	172.5	-56.9	175.9	0	0	0	111.6	F89 L93 L211 V244 I245 K251 T252 Y253 L256	F89-L247 HydrophobicContact CE1-CB 4.36Å; L93-L247 HydrophobicContact CD1-CD1 4.2Å; L211-L247 HydrophobicContact CD1-CD1 4.01Å; L211-L247 HydrophobicContact CD1-CD2 3.85Å; V244-L247 HydrophobicContact CG1-CD1 4.05Å; V244-L247 VanDerWaalsContact O-CB 3.3Å; V244-L247 WeakPolarHBondContact O-CB 3.48Å; V244-L247 WeakPolarHBondContact O-CG 3.14Å; V244-L247 PolarHBondContact O-N 3.37Å; V244-L247 VanDerWaalsContact O-N 3.09Å; I245-L247 PolarHBondContact O-N 2.85Å; L247-K251 WeakPolarHBondContact O-CA 3.39Å; L247-K251 PolarHBondContact O-N 3.33Å; L247-K251 VanDerWaalsContact O-N 3.07Å; L247-T252 PolarHBondContact O-N 3.4Å; L247-Y253 WeakPolarHBondContact O-CD1 3.47Å; L247-L256 HydrophobicContact CD1-CD2 3.95Å
248	A	84.5	Confident	88.8	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-69.3	-44.1	174.3	0	0	0	0	0	111.5	F59 F60 V63 F89 I245 N246 E250 K251	F59-A248 HydrophobicContact CB-CB 4.37Å; F60-A248 VanDerWaalsContact CE1-O 3.28Å; F60-A248 WeakPolarHBondContact CE1-O 3.37Å; F60-A248 VanDerWaalsContact CZ-O 3.31Å; F60-A248 WeakPolarHBondContact CZ-O 3.47Å; V63-A248 HydrophobicContact CG2-CB 4.32Å; F89-A248 HydrophobicContact CE1-CB 3.95Å; F89-A248 HydrophobicContact CE2-CB 4.41Å; F89-A248 HydrophobicContact CZ-CB 3.74Å; I245-A248 HydrophobicContact CD1-CB 4.37Å; I245-A248 WeakPolarHBondContact O-CB 3.24Å; I245-A248 PolarHBondContact O-N 3.3Å; N246-A248 PolarHBondContact O-N 3.49Å; A248-E250 VanDerWaalsContact C-N 3.27Å; A248-E250 PolarHBondContact O-N 2.86Å; A248-K251 PolarHBondContact O-N 2.81Å
249	A	81.9	Confident	88.8	Confident	43 Å²	43	37.2 Å²	37.2	36%	0.355	20%	0.197	S	C	.	.	H	α-helix	trans	-56.6	-42.9	178.9	0	0	0	0	0	112.1	V63 I245 N246	V63-A249 HydrophobicContact CB-CB 4.49Å; V63-A249 HydrophobicContact CG1-CB 3.51Å; V63-A249 HydrophobicContact CG2-CB 4.21Å; I245-A249 PolarHBondContact O-N 2.85Å; N246-A249 WeakPolarHBondContact O-CB 3.05Å; N246-A249 PolarHBondContact O-N 2.88Å; N246-A249 VanDerWaalsContact O-N 3.13Å
250	E	82.4	Confident	88.7	Confident	73 Å²	73	37.2 Å²	37.2	34%	0.341	20%	0.197	S	C	.	.	H	α-helix	trans	-94.2	-5	-174.5	-61.2	-176.9	164.8	0	0	113.8	N246 A248 T252 H266	N246-E250 WeakPolarHBondContact O-CG 3.41Å; N246-E250 PolarHBondContact O-N 3.41Å; A248-E250 VanDerWaalsContact C-N 3.27Å; A248-E250 PolarHBondContact O-N 2.86Å; E250-T252 HydrophobicContact CB-CG2 3.78Å; E250-T252 PolarHBondContact O-N 2.91Å; E250-H266 WeakPolarHBondContact OE1-CB 3.32Å; E250-H266 IonicContact OE1-CE1 3.8Å; E250-H266 IonicContact OE1-CG 2.64Å; E250-H266 IonicContact OE1-ND1 3Å; E250-H266 PolarHBondContact OE1-ND1 3.22Å; E250-H266 IonicContact OE2-CD2 3.14Å; E250-H266 IonicContact OE2-CE1 2.78Å; E250-H266 PolarHBondContact OE2-CE1 3.35Å; E250-H266 IonicContact OE2-CG 3.17Å; E250-H266 IonicContact OE2-ND1 3.78Å; E250-H266 PolarHBondContact OE2-ND1 3.27Å; E250-H266 IonicContact OE2-NE2 2.8Å
251	K	84.7	Confident	88.5	Confident	137 Å²	137	38.9 Å²	38.9	60%	0.596	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	29.4	-173.8	-35.6	-165.4	174.4	166	0	113	F60 L247 A248 Y253	F60-K251 HydrophobicContact CE1-CD 4.22Å; F60-K251 HydrophobicContact CE1-CG 3.95Å; F60-K251 HydrophobicContact CZ-CD 4Å; F60-K251 HydrophobicContact CZ-CG 3.74Å; L247-K251 WeakPolarHBondContact O-CA 3.39Å; L247-K251 PolarHBondContact O-N 3.33Å; L247-K251 VanDerWaalsContact O-N 3.07Å; A248-K251 PolarHBondContact O-N 2.81Å; K251-Y253 HydrophobicContact CB-CE1 4.38Å
252	T	86.4	Confident	88.4	Confident	55 Å²	55	43 Å²	43	34%	0.337	22%	0.224	S	C	.	.			trans	-94.8	2.1	-178.2	50.5	0	0	0	0	113.1	L247 E250 N254 N255	L247-T252 PolarHBondContact O-N 3.4Å; E250-T252 HydrophobicContact CB-CG2 3.78Å; E250-T252 PolarHBondContact O-N 2.91Å; T252-N254 PolarHBondContact O-N 2.85Å; T252-N255 PolarHBondContact O-N 2.71Å
253	Y	86.3	Confident	88.4	Confident	7 Å²	7	39.7 Å²	39.7	3%	0.027	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.4	-179.8	55.3	-101.9	0	0	0	115.7	K56 F60 F89 L93 L107 L247 K251 N255 L256	K56-Y253 WeakPolarHBondContact CE-OH 3.45Å; F60-Y253 HydrophobicContact CE2-CE1 4.32Å; F60-Y253 HydrophobicContact CZ-CE1 4.36Å; F89-Y253 HydrophobicContact CZ-CD1 4.36Å; F89-Y253 HydrophobicContact CZ-CG 4.43Å; L93-Y253 HydrophobicContact CD2-CG 4.47Å; L107-Y253 HydrophobicContact CD2-CD2 3.7Å; L107-Y253 HydrophobicContact CD2-CE2 3.64Å; L107-Y253 HydrophobicContact CD2-CG 4.24Å; L247-Y253 WeakPolarHBondContact O-CD1 3.47Å; K251-Y253 HydrophobicContact CB-CE1 4.38Å; Y253-N255 VanDerWaalsContact C-N 3.33Å; Y253-L256 WeakPolarHBondContact O-CD2 3.39Å
254	N	87.5	Confident	88.2	Confident	44 Å²	44	40 Å²	40	24%	0.235	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-19.6	175.9	-69.9	-26.9	0	0	0	113.1	Y97 P100 T252	Y97-N254 WeakPolarHBondContact CE2-O 3.38Å; P100-N254 WeakPolarHBondContact CA-O 3.49Å; T252-N254 PolarHBondContact O-N 2.85Å
255	N	90.2	Very high	87.8	Confident	64 Å²	64	47.8 Å²	47.8	34%	0.342	25%	0.247	S	C	.	.			trans	-120	95.9	178.8	-176.6	-4.3	0	0	0	109.8	P100 T252 Y253 D257 V258	P100-N255 HydrophobicContact CB-CB 4.24Å; T252-N255 PolarHBondContact O-N 2.71Å; Y253-N255 VanDerWaalsContact C-N 3.33Å; N255-D257 PolarHBondContact OD1-N 2.89Å; N255-D257 VanDerWaalsContact OD1-N 3.16Å; N255-V258 WeakPolarHBondContact O-CG2 3.31Å
256	L	92.9	Very high	87	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.			trans	-97.3	5.6	178.2	-51.3	-178.8	0	0	0	112.4	L93 Y97 L211 Y212 L215 L247 Y253 V258	L93-L256 HydrophobicContact CB-CD1 3.98Å; L93-L256 HydrophobicContact CD1-CD2 4.47Å; Y97-L256 HydrophobicContact CD1-CB 4.18Å; Y97-L256 HydrophobicContact CD1-CD1 4.23Å; Y97-L256 HydrophobicContact CD2-CB 3.96Å; Y97-L256 HydrophobicContact CD2-CD1 3.55Å; Y97-L256 HydrophobicContact CD2-CG 3.61Å; Y97-L256 HydrophobicContact CE1-CB 3.92Å; Y97-L256 HydrophobicContact CE2-CB 3.71Å; Y97-L256 HydrophobicContact CE2-CD1 4.17Å; Y97-L256 HydrophobicContact CE2-CG 3.71Å; Y97-L256 HydrophobicContact CG-CB 4.17Å; Y97-L256 HydrophobicContact CG-CD1 3.57Å; Y97-L256 HydrophobicContact CG-CG 4.04Å; Y97-L256 PolarHBondContact OH-N 3.06Å; L211-L256 HydrophobicContact CB-CB 4.42Å; L211-L256 WeakPolarHBondContact CB-O 3.43Å; L211-L256 PolarHBondContact N-O 3.31Å; Y212-L256 PolarHBondContact N-O 3.2Å; L215-L256 HydrophobicContact CD1-CD1 3.87Å; L215-L256 HydrophobicContact CD1-CD2 4.4Å; L247-L256 HydrophobicContact CD1-CD2 3.95Å; Y253-L256 WeakPolarHBondContact O-CD2 3.39Å; L256-V258 VanDerWaalsContact C-N 3.28Å
257	D	93.4	Very high	86.3	Confident	86 Å²	86	52.2 Å²	52.2	46%	0.46	26%	0.263	S	S	.	.			trans	-82.5	-11.8	173.7	-63.4	-4.6	0	0	0	111.7	Y97 P100 N255	Y97-D257 WeakPolarHBondContact CE1-OD1 3.4Å; Y97-D257 PolarHBondContact OH-N 3.24Å; Y97-D257 PolarHBondContact OH-OD1 3.05Å; Y97-D257 PolarHBondContact OH-OD2 3.14Å; P100-D257 WeakPolarHBondContact CD-OD2 3.48Å; P100-D257 HydrophobicContact CG-CB 4.17Å; P100-D257 WeakPolarHBondContact CG-OD2 3.23Å; N255-D257 PolarHBondContact OD1-N 2.89Å; N255-D257 VanDerWaalsContact OD1-N 3.16Å
258	V	93.3	Very high	84.5	Confident	26 Å²	26	56.5 Å²	56.5	16%	0.158	29%	0.294	C	S	.	.	S	Bend	trans	-61.9	150.5	171.4	-59.6	0	0	0	0	110.7	L211 N255 L256 K262	L211-V258 HydrophobicContact CD1-CG2 3.52Å; L211-V258 HydrophobicContact CG-CG2 3.92Å; L211-V258 WeakPolarHBondContact CG-O 3.43Å; L211-V258 PolarHBondContact N-O 3.07Å; N255-V258 WeakPolarHBondContact O-CG2 3.31Å; L256-V258 VanDerWaalsContact C-N 3.28Å; V258-K262 HydrophobicContact CB-CD 4.17Å; V258-K262 HydrophobicContact CG1-CD 4.16Å
259	T	94.6	Very high	82.8	Confident	47 Å²	47	65.8 Å²	65.8	29%	0.288	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-78.3	157	-177.4	71.5	0	0	0	0	112.1	A207 D208 T209 T261 K262 A263	A207-T259 WeakPolarHBondContact O-CB 3.35Å; A207-T259 PolarHBondContact O-OG1 3.4Å; D208-T259 WeakPolarHBondContact O-CG2 3.48Å; T209-T259 CarbonylContact O-C 3.53Å; T209-T259 WeakPolarHBondContact O-CA 3.22Å; T259-T261 VanDerWaalsContact C-N 3.28Å; T259-T261 PolarHBondContact O-N 3.44Å; T259-K262 PolarHBondContact O-N 3.46Å; T259-K262 PolarHBondContact OG1-N 3.16Å; T259-A263 PolarHBondContact O-N 3.49Å; T259-A263 VanDerWaalsContact O-N 3.1Å
260	V	92.6	Very high	81.1	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-52.5	-45.6	174.2	171.3	0	0	0	0	111.6	V205 T209 L211 A214 V228 Y239 K262 A263 L264	V205-V260 HydrophobicContact CG2-CG1 4.48Å; V205-V260 HydrophobicContact CG2-CG2 4.27Å; T209-V260 WeakPolarHBondContact O-CG2 3.01Å; T209-V260 PolarHBondContact O-N 3.42Å; L211-V260 HydrophobicContact CD2-CG2 4.16Å; A214-V260 HydrophobicContact CB-CG2 3.98Å; V228-V260 HydrophobicContact CG2-CG1 3.8Å; Y239-V260 HydrophobicContact CD2-CG1 3.96Å; Y239-V260 HydrophobicContact CG-CG1 3.82Å; V260-K262 VanDerWaalsContact C-N 3.31Å; V260-K262 PolarHBondContact O-N 3.26Å; V260-A263 WeakPolarHBondContact O-CB 3.25Å; V260-A263 PolarHBondContact O-N 2.91Å; V260-A263 VanDerWaalsContact O-N 3.15Å; V260-L264 HydrophobicContact CG1-CD1 3.61Å; V260-L264 HydrophobicContact CG1-CG 4.31Å; V260-L264 WeakPolarHBondContact O-CG 3.28Å; V260-L264 PolarHBondContact O-N 2.72Å
261	T	89.4	Confident	79.9	Confident	55 Å²	55	74.3 Å²	74.3	34%	0.337	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-38	178.5	-62.7	0	0	0	0	112.5	A207 T259 A263 L264 K265	A207-T261 VanDerWaalsContact CA-OG1 3.27Å; A207-T261 WeakPolarHBondContact CA-OG1 3.4Å; A207-T261 WeakPolarHBondContact CB-OG1 3.4Å; A207-T261 PolarHBondContact O-N 3.09Å; A207-T261 PolarHBondContact O-OG1 3.3Å; A207-T261 VanDerWaalsContact O-OG1 3.1Å; T259-T261 VanDerWaalsContact C-N 3.28Å; T259-T261 PolarHBondContact O-N 3.44Å; T261-A263 VanDerWaalsContact C-N 3.32Å; T261-A263 PolarHBondContact O-N 2.89Å; T261-L264 PolarHBondContact O-N 3.2Å; T261-K265 PolarHBondContact O-N 2.98Å
262	K	88.6	Confident	78.4	Confident	117 Å²	117	76.5 Å²	76.5	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-65.2	-39.6	177	-171.8	171.8	177.3	-177	0	111	V258 T259 V260 K265 H266	V258-K262 HydrophobicContact CB-CD 4.17Å; V258-K262 HydrophobicContact CG1-CD 4.16Å; T259-K262 PolarHBondContact O-N 3.46Å; T259-K262 PolarHBondContact OG1-N 3.16Å; V260-K262 VanDerWaalsContact C-N 3.31Å; V260-K262 PolarHBondContact O-N 3.26Å; K262-K265 PolarHBondContact O-N 3.14Å; K262-H266 PolarHBondContact O-CD2 2.74Å
263	A	87.4	Confident	77.5	Confident	12 Å²	12	75.4 Å²	75.4	10%	0.099	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-36.3	176	0	0	0	0	0	112.9	L211 Y239 T259 V260 T261 K265 H266	L211-A263 HydrophobicContact CD1-CB 3.79Å; L211-A263 HydrophobicContact CD2-CB 3.68Å; L211-A263 HydrophobicContact CG-CB 4.09Å; Y239-A263 HydrophobicContact CE2-CB 4.21Å; T259-A263 PolarHBondContact O-N 3.49Å; T259-A263 VanDerWaalsContact O-N 3.1Å; V260-A263 WeakPolarHBondContact O-CB 3.25Å; V260-A263 PolarHBondContact O-N 2.91Å; V260-A263 VanDerWaalsContact O-N 3.15Å; T261-A263 VanDerWaalsContact C-N 3.32Å; T261-A263 PolarHBondContact O-N 2.89Å; A263-K265 VanDerWaalsContact C-N 3.33Å; A263-K265 PolarHBondContact O-N 3Å; A263-H266 WeakPolarHBondContact O-CB 3.32Å; A263-H266 PolarHBondContact O-CD2 2.8Å; A263-H266 PolarHBondContact O-N 3.06Å
264	L	86.5	Confident	77.5	Confident	11 Å²	11	76.3 Å²	76.3	6%	0.058	38%	0.38	C	S	.	.	H	α-helix	trans	-71.7	-22.8	-179.3	-76.2	166.7	0	0	0	113.8	V228 D237 Y239 V260 T261 H266 R267	V228-L264 HydrophobicContact CG2-CD1 4.16Å; D237-L264 HydrophobicContact CB-CD1 4.05Å; D237-L264 WeakPolarHBondContact OD2-CD1 3.45Å; Y239-L264 HydrophobicContact CD2-CD1 4.29Å; Y239-L264 HydrophobicContact CD2-CD2 3.82Å; Y239-L264 HydrophobicContact CD2-CG 3.88Å; V260-L264 HydrophobicContact CG1-CD1 3.61Å; V260-L264 HydrophobicContact CG1-CG 4.31Å; V260-L264 WeakPolarHBondContact O-CG 3.28Å; V260-L264 PolarHBondContact O-N 2.72Å; T261-L264 PolarHBondContact O-N 3.2Å; L264-H266 PolarHBondContact O-N 3.4Å; L264-R267 WeakPolarHBondContact O-CB 3.48Å; L264-R267 PolarHBondContact O-N 2.86Å
265	K	81.9	Confident	77.7	Confident	165 Å²	165	77 Å²	77	72%	0.717	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.9	173.6	-72.7	-178.8	179.8	-173.6	0	113.6	T261 K262 A263 R267	T261-K265 PolarHBondContact O-N 2.98Å; K262-K265 PolarHBondContact O-N 3.14Å; A263-K265 VanDerWaalsContact C-N 3.33Å; A263-K265 PolarHBondContact O-N 3Å; K265-R267 VanDerWaalsContact C-N 3.31Å
266	H	69.9	Low	78	Confident	84 Å²	84	75.7 Å²	75.7	39%	0.389	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.2	179.1	-63.9	-82.4	0	0	0	113.6	E250 K262 A263 L264 S268	E250-H266 WeakPolarHBondContact OE1-CB 3.32Å; E250-H266 IonicContact OE1-CE1 3.8Å; E250-H266 IonicContact OE1-CG 2.64Å; E250-H266 IonicContact OE1-ND1 3Å; E250-H266 PolarHBondContact OE1-ND1 3.22Å; E250-H266 IonicContact OE2-CD2 3.14Å; E250-H266 IonicContact OE2-CE1 2.78Å; E250-H266 PolarHBondContact OE2-CE1 3.35Å; E250-H266 IonicContact OE2-CG 3.17Å; E250-H266 IonicContact OE2-ND1 3.78Å; E250-H266 PolarHBondContact OE2-ND1 3.27Å; E250-H266 IonicContact OE2-NE2 2.8Å; K262-H266 PolarHBondContact O-CD2 2.74Å; A263-H266 WeakPolarHBondContact O-CB 3.32Å; A263-H266 PolarHBondContact O-CD2 2.8Å; A263-H266 PolarHBondContact O-N 3.06Å; L264-H266 PolarHBondContact O-N 3.4Å; H266-S268 VanDerWaalsContact C-N 3.35Å; H266-S268 PolarHBondContact O-N 3.48Å
267	R	70.8	Confident	78.1	Confident	61 Å²	61	75.9 Å²	75.9	23%	0.23	38%	0.378	C	S	.	.	S	Bend	trans	-68.4	93.5	161.9	-75.8	-175.8	175.1	161.6	1.4	108.3	D237 I238 D243 L264 K265 Q269	D237-R267 IonicContact OD1-NH1 3.17Å; D237-R267 PolarHBondContact OD1-NH1 2.95Å; I238-R267 PolarHBondContact O-NH1 3.12Å; I238-R267 PolarHBondContact O-NH2 3.39Å; D243-R267 IonicContact OD1-CZ 3.88Å; D243-R267 IonicContact OD1-NE 2.67Å; D243-R267 PolarHBondContact OD1-NE 3.27Å; D243-R267 IonicContact OD1-NH2 3.59Å; D243-R267 PolarHBondContact OD1-NH2 3.17Å; D243-R267 IonicContact OD2-CZ 2.82Å; D243-R267 IonicContact OD2-NE 3.99Å; D243-R267 IonicContact OD2-NH2 3.2Å; D243-R267 PolarHBondContact OD2-NH2 3.31Å; L264-R267 WeakPolarHBondContact O-CB 3.48Å; L264-R267 PolarHBondContact O-N 2.86Å; K265-R267 VanDerWaalsContact C-N 3.31Å; R267-Q269 PolarHBondContact O-N 3.1Å
268	S	49.8	Very low	78.3	Confident	99 Å²	99	73.7 Å²	73.7	69%	0.692	37%	0.367	S	S	*	.			trans	-49	130.2	177.2	54.4	0	0	0	0	113.6	H266 Y270	H266-S268 VanDerWaalsContact C-N 3.35Å; H266-S268 PolarHBondContact O-N 3.48Å; S268-Y270 PolarHBondContact O-N 2.98Å
269	Q	47.5	Very low	78.4	Confident	196 Å²	196	76.1 Å²	76.1	92%	0.916	37%	0.373	S	S	*	.	S	Bend	trans	39.4	-14.1	157.3	-78.3	178.3	-4.7	0	0	123	R267	R267-Q269 PolarHBondContact O-N 3.1Å
270	Y	46.7	Very low	78.4	Confident	207 Å²	207	79.2 Å²	79.2	81%	0.812	38%	0.384	S	S	*	.			trans	-125.1	46.1	-174.9	-77.2	-87.3	0	0	0	111.7	S268 E272	S268-Y270 PolarHBondContact O-N 2.98Å; Y270-E272 PolarHBondContact O-N 3.44Å
271	F	56.6	Low	78.6	Confident	87 Å²	87	81.5 Å²	81.5	38%	0.382	40%	0.395	S	S	.	.			trans	-89.1	101.1	167.6	-172.9	-110.5	0	0	0	109	D237 G273 V274	D237-F271 WeakPolarHBondContact OD1-CZ 3.47Å; F271-G273 VanDerWaalsContact CE1-CA 3.44Å; F271-G273 PolarHBondContact O-N 3.12Å; F271-V274 HydrophobicContact CZ-CG2 4.12Å
272	E	54.8	Low	78.9	Confident	184 Å²	184	81 Å²	81	86%	0.86	39%	0.392	S	S	*	.			trans	-79.1	9	176.8	-71.9	-175.5	160.5	0	0	113.5	Y270	Y270-E272 PolarHBondContact O-N 3.44Å
273	G	67.9	Low	79.1	Confident	32 Å²	32	75.5 Å²	75.5	33%	0.33	37%	0.368	S	S	.	.			trans	101	177.5	-176.1	0	0	0	0	0	113.4	F271	F271-G273 VanDerWaalsContact CE1-CA 3.44Å; F271-G273 PolarHBondContact O-N 3.12Å
274	V	84.3	Confident	79.3	Confident	26 Å²	26	77.2 Å²	77.2	16%	0.158	37%	0.374	C	S	.	.			trans	-79.1	127.4	171.6	-174.4	0	0	0	0	108.5	V235 I238 F271 T276 V299	V235-V274 HydrophobicContact CG2-CB 4.25Å; V235-V274 HydrophobicContact CG2-CG1 3.92Å; V235-V274 HydrophobicContact CG2-CG2 4.17Å; I238-V274 HydrophobicContact CB-CG1 4.14Å; I238-V274 HydrophobicContact CB-CG2 4.26Å; I238-V274 HydrophobicContact CG2-CG1 4.22Å; I238-V274 HydrophobicContact CG2-CG2 4.22Å; F271-V274 HydrophobicContact CZ-CG2 4.12Å; V274-T276 HydrophobicContact CG1-CG2 4.4Å; V274-T276 PolarHBondContact O-N 3.5Å; V274-V299 HydrophobicContact CG1-CB 4.39Å; V274-V299 HydrophobicContact CG1-CG2 3.79Å
275	L	92.5	Very high	79.7	Confident	57 Å²	57	78.3 Å²	78.3	30%	0.298	38%	0.384	S	S	.	.			trans	-78.3	121.1	174	-62.3	169.2	0	0	0	109.9	A293 V295 L298 V299	L275-A293 HydrophobicContact CD1-CB 3.28Å; L275-V295 HydrophobicContact CD1-CB 4.27Å; L275-V295 HydrophobicContact CD1-CG1 3.59Å; L275-V295 HydrophobicContact CD1-CG2 3.71Å; L275-L298 HydrophobicContact CB-CD2 3.51Å; L275-V299 PolarHBondContact O-N 3.28Å
276	T	95.9	Very high	80.4	Confident	38 Å²	38	70.4 Å²	70.4	23%	0.233	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	168.2	-178	59.5	0	0	0	0	111.5	V235 V274 R289 V299 V301	V235-T276 HydrophobicContact CG1-CG2 3.78Å; V274-T276 HydrophobicContact CG1-CG2 4.4Å; V274-T276 PolarHBondContact O-N 3.5Å; T276-R289 PolarHBondContact O-NH1 3.11Å; T276-V299 CarbonylContact C-O 3.54Å; T276-V299 WeakPolarHBondContact CA-O 3.28Å; T276-V299 WeakPolarHBondContact CB-O 3.32Å; T276-V299 HydrophobicContact CG2-CB 4.43Å; T276-V301 HydrophobicContact CG2-CG1 3.93Å; T276-V301 HydrophobicContact CG2-CG2 4.31Å
277	C	96.7	Very high	81.5	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	165.1	165.8	61.6	0	0	0	0	111.2	E281 I286 L298 V299 V300 V301	C277-E281 WeakPolarHBondContact CA-OE1 3.45Å; C277-E281 VanDerWaalsContact CB-OE1 3.3Å; C277-E281 WeakPolarHBondContact CB-OE1 3.33Å; C277-I286 HydrophobicContact CB-CD1 3.28Å; C277-L298 HydrophobicContact CB-CB 4.34Å; C277-L298 HydrophobicContact CB-CD1 3.91Å; C277-V299 PolarHBondContact N-O 3.01Å; C277-V300 CarbonylContact O-C 3.59Å; C277-V300 VanDerWaalsContact O-CA 3.27Å; C277-V300 WeakPolarHBondContact O-CA 3.39Å; C277-V301 PolarHBondContact O-N 2.92Å
278	N	96.2	Very high	82.5	Confident	41 Å²	41	65 Å²	65	22%	0.219	33%	0.329	C	S	.	.			trans	-102	152.9	171.4	-170	-66.2	0	0	0	110.5	H280 E281	N278-H280 PolarHBondContact O-N 2.96Å; N278-H280 PolarHBondContact OD1-CD2 2.97Å; N278-H280 PolarHBondContact OD1-N 2.97Å; N278-E281 HydrophobicContact CB-CG 4.15Å; N278-E281 PolarHBondContact N-OE1 3.21Å; N278-E281 WeakPolarHBondContact O-CB 3.37Å; N278-E281 PolarHBondContact O-N 3.01Å
279	R	95.3	Very high	84.7	Confident	77 Å²	77	63.7 Å²	63.7	29%	0.291	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.6	178.3	74.1	-178.3	70.8	160.5	4	113.5	L191 E192 E281 V300	L191-R279 PolarHBondContact N-O 3.44Å; E192-R279 HydrophobicContact CB-CB 4.25Å; E192-R279 HydrophobicContact CB-CG 4.31Å; E192-R279 PolarHBondContact N-O 2.79Å; E192-R279 VanDerWaalsContact N-O 3.1Å; E192-R279 VanDerWaalsContact OE1-CD 3.28Å; E192-R279 WeakPolarHBondContact OE1-CD 3.46Å; E192-R279 IonicContact OE1-NH1 2.6Å; R279-E281 VanDerWaalsContact C-N 3.28Å; R279-V300 HydrophobicContact CB-CG1 4.32Å
280	H	95.8	Very high	86.9	Confident	112 Å²	112	54.5 Å²	54.5	52%	0.519	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	2.8	-179.8	-51.6	-57.2	0	0	0	112.8	T190 E192 N278	T190-H280 VanDerWaalsContact CG2-O 3.26Å; T190-H280 WeakPolarHBondContact CG2-O 3.41Å; E192-H280 IonicContact OE2-CE1 3.91Å; E192-H280 PolarHBondContact OE2-CE1 2.89Å; E192-H280 IonicContact OE2-ND1 2.72Å; E192-H280 PolarHBondContact OE2-ND1 3.05Å; E192-H280 VanDerWaalsContact OE2-ND1 3.14Å; N278-H280 PolarHBondContact O-N 2.96Å; N278-H280 PolarHBondContact OD1-CD2 2.97Å; N278-H280 PolarHBondContact OD1-N 2.97Å
281	E	96.4	Very high	89	Confident	48 Å²	48	45.7 Å²	45.7	22%	0.224	23%	0.234	C	C	.	.	S	Bend	trans	-80	146.2	173.1	-65.5	-172.3	-116.7	0	0	111.6	T190 L191 C277 N278 R279 I286 R289	T190-E281 VanDerWaalsContact CA-O 3.28Å; T190-E281 WeakPolarHBondContact CA-O 3.43Å; L191-E281 PolarHBondContact N-O 3.36Å; C277-E281 WeakPolarHBondContact CA-OE1 3.45Å; C277-E281 VanDerWaalsContact CB-OE1 3.3Å; C277-E281 WeakPolarHBondContact CB-OE1 3.33Å; N278-E281 HydrophobicContact CB-CG 4.15Å; N278-E281 PolarHBondContact N-OE1 3.21Å; N278-E281 WeakPolarHBondContact O-CB 3.37Å; N278-E281 PolarHBondContact O-N 3.01Å; R279-E281 VanDerWaalsContact C-N 3.28Å; E281-I286 HydrophobicContact CB-CD1 4.05Å; E281-I286 HydrophobicContact CB-CG1 4.39Å; E281-R289 IonicContact OE1-CZ 2.98Å; E281-R289 IonicContact OE1-NH1 2.7Å; E281-R289 PolarHBondContact OE1-NH1 3.27Å; E281-R289 VanDerWaalsContact OE1-NH1 3.11Å; E281-R289 IonicContact OE1-NH2 3.21Å; E281-R289 IonicContact OE2-CZ 3.71Å; E281-R289 IonicContact OE2-NH1 3.21Å; E281-R289 PolarHBondContact OE2-NH1 3.18Å; E281-R289 IonicContact OE2-NH2 3.37Å; E281-R289 PolarHBondContact OE2-NH2 3.22Å
282	T	95.4	Very high	90.7	Very high	45 Å²	45	48.6 Å²	48.6	28%	0.276	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-71.5	150.2	-179.9	67.7	0	0	0	0	112	N188 Q189 E284 A285 I286	N188-T282 VanDerWaalsContact O-CG2 3.3Å; N188-T282 WeakPolarHBondContact O-CG2 3.48Å; Q189-T282 WeakPolarHBondContact O-CA 3.12Å; T282-E284 PolarHBondContact O-N 2.65Å; T282-A285 PolarHBondContact O-N 3.32Å; T282-A285 VanDerWaalsContact O-N 3.1Å; T282-A285 PolarHBondContact OG1-N 3.47Å; T282-I286 WeakPolarHBondContact O-CG1 3.42Å; T282-I286 PolarHBondContact O-N 3.06Å; T282-I286 VanDerWaalsContact O-N 3.15Å
283	L	93.2	Very high	92.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-36.4	176.4	-179.7	61.3	0	0	0	112.2	F186 L187 Q189 L194 I196 A285 I286 I287 I316	F186-L283 HydrophobicContact CD2-CD2 3.93Å; F186-L283 HydrophobicContact CE2-CD2 3.89Å; L187-L283 HydrophobicContact CD2-CD2 4.21Å; L187-L283 HydrophobicContact CD2-CG 4.48Å; L187-L283 PolarHBondContact O-N 3.2Å; Q189-L283 PolarHBondContact O-N 3.1Å; L194-L283 HydrophobicContact CD1-CB 3.87Å; L194-L283 HydrophobicContact CD1-CD2 3.87Å; L194-L283 HydrophobicContact CD1-CG 4.41Å; I196-L283 HydrophobicContact CD1-CD1 3.96Å; I196-L283 HydrophobicContact CD1-CD2 3.96Å; L283-A285 PolarHBondContact O-N 3.41Å; L283-I286 PolarHBondContact O-N 3.22Å; L283-I287 HydrophobicContact CD1-CD1 4.09Å; L283-I287 HydrophobicContact CD1-CG1 4.14Å; L283-I287 HydrophobicContact CD2-CD1 4.39Å; L283-I287 HydrophobicContact CG-CD1 3.83Å; L283-I287 HydrophobicContact CG-CG1 4.32Å; L283-I287 VanDerWaalsContact O-CG1 3.32Å; L283-I287 WeakPolarHBondContact O-CG1 3.26Å; L283-I287 PolarHBondContact O-N 3.26Å; L283-I316 HydrophobicContact CD1-CG1 4.25Å
284	E	91.9	Very high	93.4	Very high	48 Å²	48	44.5 Å²	44.5	22%	0.224	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-44.3	175.6	-174.9	172.4	-148.5	0	0	112.6	L187 T282 I286 I287 T288	L187-E284 HydrophobicContact CB-CB 4.28Å; L187-E284 PolarHBondContact O-N 3.09Å; T282-E284 PolarHBondContact O-N 2.65Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 2.91Å; E284-I287 PolarHBondContact O-N 3.17Å; E284-T288 VanDerWaalsContact O-CB 3.3Å; E284-T288 WeakPolarHBondContact O-CB 3.29Å; E284-T288 PolarHBondContact O-N 2.96Å; E284-T288 PolarHBondContact O-OG1 2.86Å
285	A	94.7	Very high	93.7	Very high	34 Å²	34	45.3 Å²	45.3	28%	0.281	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-41.7	178.3	0	0	0	0	0	111	T282 L283 T288 R289	T282-A285 PolarHBondContact O-N 3.32Å; T282-A285 VanDerWaalsContact O-N 3.1Å; T282-A285 PolarHBondContact OG1-N 3.47Å; L283-A285 PolarHBondContact O-N 3.41Å; A285-T288 PolarHBondContact O-N 3.19Å; A285-R289 WeakPolarHBondContact O-CB 3.28Å; A285-R289 PolarHBondContact O-N 2.93Å
286	I	95.5	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-48.5	177.6	-61	-62.8	0	0	0	111.8	L191 C277 E281 T282 L283 E284 T288 R289 L290 L298 V311 I316	L191-I286 HydrophobicContact CD1-CD1 3.79Å; L191-I286 HydrophobicContact CD1-CG1 3.83Å; L191-I286 HydrophobicContact CD2-CG1 4.04Å; L191-I286 HydrophobicContact CD2-CG2 4.47Å; L191-I286 HydrophobicContact CG-CD1 4.4Å; L191-I286 HydrophobicContact CG-CG1 3.91Å; C277-I286 HydrophobicContact CB-CD1 3.28Å; E281-I286 HydrophobicContact CB-CD1 4.05Å; E281-I286 HydrophobicContact CB-CG1 4.39Å; T282-I286 WeakPolarHBondContact O-CG1 3.42Å; T282-I286 PolarHBondContact O-N 3.06Å; T282-I286 VanDerWaalsContact O-N 3.15Å; L283-I286 PolarHBondContact O-N 3.22Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 2.91Å; I286-T288 VanDerWaalsContact C-N 3.31Å; I286-T288 PolarHBondContact O-N 3.45Å; I286-R289 PolarHBondContact O-N 3.16Å; I286-L290 HydrophobicContact CG2-CD1 4.01Å; I286-L290 WeakPolarHBondContact O-CB 3.36Å; I286-L290 WeakPolarHBondContact O-CG 3.37Å; I286-L290 PolarHBondContact O-N 2.94Å; I286-L298 HydrophobicContact CD1-CD1 3.99Å; I286-L298 HydrophobicContact CG2-CD1 4.1Å; I286-V311 HydrophobicContact CG2-CG1 4.1Å; I286-V311 HydrophobicContact CG2-CG2 4.33Å; I286-I316 HydrophobicContact CG2-CD1 3.96Å
287	I	93.4	Very high	93.7	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-45.6	177	-70.8	171.2	0	0	0	110.2	L171 K175 L187 L283 E284 L290 V291 I316	L171-I287 HydrophobicContact CD1-CG2 4.21Å; L171-I287 HydrophobicContact CD2-CG2 4.34Å; L171-I287 HydrophobicContact CG-CG2 4.31Å; K175-I287 HydrophobicContact CD-CG2 4.41Å; L187-I287 HydrophobicContact CD2-CD1 4.26Å; L283-I287 HydrophobicContact CD1-CD1 4.09Å; L283-I287 HydrophobicContact CD1-CG1 4.14Å; L283-I287 HydrophobicContact CD2-CD1 4.39Å; L283-I287 HydrophobicContact CG-CD1 3.83Å; L283-I287 HydrophobicContact CG-CG1 4.32Å; L283-I287 VanDerWaalsContact O-CG1 3.32Å; L283-I287 WeakPolarHBondContact O-CG1 3.26Å; L283-I287 PolarHBondContact O-N 3.26Å; E284-I287 PolarHBondContact O-N 3.17Å; I287-L290 PolarHBondContact O-N 3.41Å; I287-V291 HydrophobicContact CG2-CG2 4.36Å; I287-V291 WeakPolarHBondContact O-CB 3.49Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.49Å; I287-V291 PolarHBondContact O-N 3.11Å; I287-I316 HydrophobicContact CD1-CG2 3.96Å; I287-I316 HydrophobicContact CG1-CD1 4.22Å; I287-I316 HydrophobicContact CG1-CG2 3.8Å
288	T	93	Very high	93.7	Very high	28 Å²	28	45.1 Å²	45.1	17%	0.172	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-49.6	-179	-58.6	0	0	0	0	110.6	K175 E284 A285 I286 L290 V291 E292	K175-T288 PolarHBondContact NZ-OG1 3.1Å; E284-T288 VanDerWaalsContact O-CB 3.3Å; E284-T288 WeakPolarHBondContact O-CB 3.29Å; E284-T288 PolarHBondContact O-N 2.96Å; E284-T288 PolarHBondContact O-OG1 2.86Å; A285-T288 PolarHBondContact O-N 3.19Å; I286-T288 VanDerWaalsContact C-N 3.31Å; I286-T288 PolarHBondContact O-N 3.45Å; T288-L290 PolarHBondContact O-N 3.22Å; T288-V291 PolarHBondContact O-N 3.23Å; T288-E292 HydrophobicContact CG2-CG 4.28Å; T288-E292 VanDerWaalsContact CG2-OE1 3.24Å; T288-E292 WeakPolarHBondContact CG2-OE1 3.41Å; T288-E292 WeakPolarHBondContact O-CB 3.5Å; T288-E292 WeakPolarHBondContact O-CG 3.48Å; T288-E292 PolarHBondContact O-N 3.41Å
289	R	94.8	Very high	93.7	Very high	73 Å²	73	43.2 Å²	43.2	28%	0.275	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-43.1	177.3	-170.8	176.8	-57.9	128.8	16.7	112.8	T276 E281 A285 I286 A293 L298	T276-R289 PolarHBondContact O-NH1 3.11Å; E281-R289 IonicContact OE1-CZ 2.98Å; E281-R289 IonicContact OE1-NH1 2.7Å; E281-R289 PolarHBondContact OE1-NH1 3.27Å; E281-R289 VanDerWaalsContact OE1-NH1 3.11Å; E281-R289 IonicContact OE1-NH2 3.21Å; E281-R289 IonicContact OE2-CZ 3.71Å; E281-R289 IonicContact OE2-NH1 3.21Å; E281-R289 PolarHBondContact OE2-NH1 3.18Å; E281-R289 IonicContact OE2-NH2 3.37Å; E281-R289 PolarHBondContact OE2-NH2 3.22Å; A285-R289 WeakPolarHBondContact O-CB 3.28Å; A285-R289 PolarHBondContact O-N 2.93Å; I286-R289 PolarHBondContact O-N 3.16Å; R289-A293 WeakPolarHBondContact O-CB 3.29Å; R289-A293 PolarHBondContact O-N 2.95Å; R289-L298 HydrophobicContact CB-CD1 4.34Å; R289-L298 HydrophobicContact CG-CD1 4.3Å; R289-L298 HydrophobicContact CG-CD2 4.29Å
290	L	93.6	Very high	93.9	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-40.5	178.2	-78.2	170.8	0	0	0	112.9	I286 I287 T288 E294 V295 L298 L313 I316	I286-L290 HydrophobicContact CG2-CD1 4.01Å; I286-L290 WeakPolarHBondContact O-CB 3.36Å; I286-L290 WeakPolarHBondContact O-CG 3.37Å; I286-L290 PolarHBondContact O-N 2.94Å; I287-L290 PolarHBondContact O-N 3.41Å; T288-L290 PolarHBondContact O-N 3.22Å; L290-E294 WeakPolarHBondContact O-CA 3.38Å; L290-E294 PolarHBondContact O-N 2.98Å; L290-E294 VanDerWaalsContact O-N 3.09Å; L290-V295 HydrophobicContact CD2-CG2 3.7Å; L290-V295 PolarHBondContact O-N 3.35Å; L290-L298 HydrophobicContact CD2-CD1 4.41Å; L290-L298 HydrophobicContact CD2-CD2 3.98Å; L290-L298 HydrophobicContact CD2-CG 3.67Å; L290-L298 HydrophobicContact CG-CD1 4.18Å; L290-L298 HydrophobicContact CG-CD2 4.49Å; L290-L298 HydrophobicContact CG-CG 3.98Å; L290-L313 HydrophobicContact CB-CD2 4.28Å; L290-L313 HydrophobicContact CD1-CD2 4.17Å; L290-I316 HydrophobicContact CD1-CD1 3.14Å
291	V	91.8	Very high	94	Very high	23 Å²	23	34.5 Å²	34.5	14%	0.139	18%	0.18	C	C	.	.	H	α-helix	trans	-73.6	-44.7	-178.8	172.8	0	0	0	0	111	L171 K172 K175 I287 T288 E294	L171-V291 HydrophobicContact CD2-CG2 4.11Å; L171-V291 HydrophobicContact CG-CG2 4.04Å; K172-V291 HydrophobicContact CB-CG1 4.34Å; K172-V291 HydrophobicContact CG-CG1 4.08Å; K175-V291 HydrophobicContact CB-CG1 4.27Å; K175-V291 HydrophobicContact CB-CG2 4.11Å; K175-V291 HydrophobicContact CG-CB 4.44Å; K175-V291 HydrophobicContact CG-CG1 4.16Å; K175-V291 HydrophobicContact CG-CG2 4.39Å; I287-V291 HydrophobicContact CG2-CG2 4.36Å; I287-V291 WeakPolarHBondContact O-CB 3.49Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.49Å; I287-V291 PolarHBondContact O-N 3.11Å; T288-V291 PolarHBondContact O-N 3.23Å; V291-E294 WeakPolarHBondContact O-CG 3.49Å; V291-E294 PolarHBondContact O-N 3.07Å
292	E	91.2	Very high	93.9	Very high	148 Å²	148	33.8 Å²	33.8	69%	0.692	18%	0.178	S	C	*	.	H	α-helix	trans	-66.8	-47.9	-179.7	-72.5	176.9	175.7	0	0	111.9	T288 E294	T288-E292 HydrophobicContact CG2-CG 4.28Å; T288-E292 VanDerWaalsContact CG2-OE1 3.24Å; T288-E292 WeakPolarHBondContact CG2-OE1 3.41Å; T288-E292 WeakPolarHBondContact O-CB 3.5Å; T288-E292 WeakPolarHBondContact O-CG 3.48Å; T288-E292 PolarHBondContact O-N 3.41Å; E292-E294 PolarHBondContact O-N 2.87Å
293	A	90.3	Very high	93.9	Very high	43 Å²	43	40.3 Å²	40.3	36%	0.355	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.4	178.4	0	0	0	0	0	113.2	L275 R289 V295	L275-A293 HydrophobicContact CD1-CB 3.28Å; R289-A293 WeakPolarHBondContact O-CB 3.29Å; R289-A293 PolarHBondContact O-N 2.95Å; A293-V295 HydrophobicContact CB-CG2 4.45Å; A293-V295 WeakPolarHBondContact O-CG1 3.2Å; A293-V295 PolarHBondContact O-N 3.4Å; A293-V295 VanDerWaalsContact O-N 3.09Å
294	E	89.8	Confident	94.1	Very high	86 Å²	86	45.7 Å²	45.7	40%	0.402	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	26.1	171.7	-81.5	-141.5	171.5	0	0	114.8	K168 K172 L290 V291 E292	K168-E294 VanDerWaalsContact CE-O 3.31Å; K168-E294 WeakPolarHBondContact CE-O 3.16Å; K168-E294 PolarHBondContact NZ-O 2.98Å; K168-E294 IonicContact NZ-OE2 2.72Å; K168-E294 PolarHBondContact NZ-OE2 2.91Å; K172-E294 IonicContact NZ-OE1 3.01Å; K172-E294 PolarHBondContact NZ-OE1 3.09Å; L290-E294 WeakPolarHBondContact O-CA 3.38Å; L290-E294 PolarHBondContact O-N 2.98Å; L290-E294 VanDerWaalsContact O-N 3.09Å; V291-E294 WeakPolarHBondContact O-CG 3.49Å; V291-E294 PolarHBondContact O-N 3.07Å; E292-E294 PolarHBondContact O-N 2.87Å
295	V	91.3	Very high	94.2	Very high	44 Å²	44	47.5 Å²	47.5	27%	0.267	24%	0.242	S	C	.	.			trans	-99.3	166.8	-179.2	-61	0	0	0	0	112.9	L275 L290 A293 L298	L275-V295 HydrophobicContact CD1-CB 4.27Å; L275-V295 HydrophobicContact CD1-CG1 3.59Å; L275-V295 HydrophobicContact CD1-CG2 3.71Å; L290-V295 HydrophobicContact CD2-CG2 3.7Å; L290-V295 PolarHBondContact O-N 3.35Å; A293-V295 HydrophobicContact CB-CG2 4.45Å; A293-V295 WeakPolarHBondContact O-CG1 3.2Å; A293-V295 PolarHBondContact O-N 3.4Å; A293-V295 VanDerWaalsContact O-N 3.09Å; V295-L298 HydrophobicContact CG2-CD2 4.2Å
296	H	91.9	Very high	94.4	Very high	61 Å²	61	47.4 Å²	47.4	28%	0.282	24%	0.238	S	C	.	.	S	Bend	trans	-94.3	-12.2	-175.3	-72.4	-160.5	0	0	0	114.2	R68 L313	R68-H296 PolarHBondContact NH1-NE2 2.97Å; H296-L313 HydrophobicContact CB-CD1 4.25Å; H296-L313 WeakPolarHBondContact O-CG 3.34Å; H296-L313 PolarHBondContact O-N 2.81Å
297	R	95	Very high	94.5	Very high	33 Å²	33	48.5 Å²	48.5	13%	0.125	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	160.6	-175.7	66.7	-145.9	-24.4	-145.1	-2.2	111.4	S224 A225 I238 I310 V311	S224-R297 PolarHBondContact OG-NE 2.81Å; S224-R297 PolarHBondContact OG-NH1 3.3Å; S224-R297 PolarHBondContact OG-NH2 3.25Å; A225-R297 PolarHBondContact O-NH1 3.07Å; I238-R297 HydrophobicContact CD1-CG 4.28Å; R297-I310 HydrophobicContact CB-CG2 4.07Å; R297-I310 HydrophobicContact CG-CG2 4.28Å; R297-V311 CarbonylContact C-O 3.53Å; R297-V311 WeakPolarHBondContact CA-O 3.42Å; R297-V311 WeakPolarHBondContact CB-O 3.22Å
298	L	96.9	Very high	94.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.9	167.7	-56.5	176.3	0	0	0	109.1	L275 C277 I286 R289 L290 V295 V311	L275-L298 HydrophobicContact CB-CD2 3.51Å; C277-L298 HydrophobicContact CB-CB 4.34Å; C277-L298 HydrophobicContact CB-CD1 3.91Å; I286-L298 HydrophobicContact CD1-CD1 3.99Å; I286-L298 HydrophobicContact CG2-CD1 4.1Å; R289-L298 HydrophobicContact CB-CD1 4.34Å; R289-L298 HydrophobicContact CG-CD1 4.3Å; R289-L298 HydrophobicContact CG-CD2 4.29Å; L290-L298 HydrophobicContact CD2-CD1 4.41Å; L290-L298 HydrophobicContact CD2-CD2 3.98Å; L290-L298 HydrophobicContact CD2-CG 3.67Å; L290-L298 HydrophobicContact CG-CD1 4.18Å; L290-L298 HydrophobicContact CG-CD2 4.49Å; L290-L298 HydrophobicContact CG-CG 3.98Å; V295-L298 HydrophobicContact CG2-CD2 4.2Å; L298-V311 HydrophobicContact CB-CG1 3.89Å; L298-V311 PolarHBondContact N-O 3.26Å; L298-V311 PolarHBondContact O-N 3.38Å; L298-V311 VanDerWaalsContact O-N 3.08Å
299	V	97.6	Very high	94.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122	171	-176	0	0	0	0	108	P227 V235 I238 V274 L275 T276 C277 V301 V307	P227-V299 HydrophobicContact CB-CG1 4.36Å; P227-V299 HydrophobicContact CB-CG2 4.37Å; P227-V299 HydrophobicContact CG-CG1 4.2Å; P227-V299 HydrophobicContact CG-CG2 4.07Å; V235-V299 HydrophobicContact CB-CG1 4.5Å; V235-V299 HydrophobicContact CG2-CG1 4.28Å; I238-V299 HydrophobicContact CD1-CG2 4.1Å; V274-V299 HydrophobicContact CG1-CB 4.39Å; V274-V299 HydrophobicContact CG1-CG2 3.79Å; L275-V299 PolarHBondContact O-N 3.28Å; T276-V299 CarbonylContact C-O 3.54Å; T276-V299 WeakPolarHBondContact CA-O 3.28Å; T276-V299 WeakPolarHBondContact CB-O 3.32Å; T276-V299 HydrophobicContact CG2-CB 4.43Å; C277-V299 PolarHBondContact N-O 3.01Å; V299-V301 HydrophobicContact CG1-CG1 4.1Å; V299-V307 HydrophobicContact CG1-CB 4.37Å; V299-V307 HydrophobicContact CG1-CG1 3.87Å; V299-V307 HydrophobicContact CG1-CG2 3.84Å
300	V	97.9	Very high	95	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.3	176.4	-169.5	0	0	0	0	108.4	L191 F199 C277 R279 K308 G309 V311	L191-V300 HydrophobicContact CD1-CG2 4.48Å; F199-V300 HydrophobicContact CE1-CB 4.25Å; F199-V300 HydrophobicContact CE1-CG1 4.11Å; F199-V300 HydrophobicContact CE1-CG2 4.02Å; C277-V300 CarbonylContact O-C 3.59Å; C277-V300 VanDerWaalsContact O-CA 3.27Å; C277-V300 WeakPolarHBondContact O-CA 3.39Å; R279-V300 HydrophobicContact CB-CG1 4.32Å; V300-K308 PolarHBondContact O-N 3.42Å; V300-G309 PolarHBondContact N-O 3.04Å; V300-G309 PolarHBondContact O-N 2.87Å; V300-G309 VanDerWaalsContact O-N 3.11Å; V300-V311 HydrophobicContact CG2-CB 4.44Å; V300-V311 HydrophobicContact CG2-CG1 4.22Å
301	V	97.6	Very high	95.2	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	162.2	-177.5	-61.6	0	0	0	0	112	V235 T276 C277 V299 V306	V235-V301 HydrophobicContact CB-CG1 4.5Å; V235-V301 HydrophobicContact CG1-CG1 3.72Å; T276-V301 HydrophobicContact CG2-CG1 3.93Å; T276-V301 HydrophobicContact CG2-CG2 4.31Å; C277-V301 PolarHBondContact O-N 2.92Å; V299-V301 HydrophobicContact CG1-CG1 4.1Å; V301-V306 VanDerWaalsContact CA-O 3.3Å; V301-V306 WeakPolarHBondContact CA-O 3.34Å
302	D	96	Very high	95.4	Very high	34 Å²	34	46.8 Å²	46.8	18%	0.182	24%	0.236	C	C	.	.			trans	-91	-176.2	165.3	68.8	13.5	0	0	0	112	N304 E305 V306 K308	D302-N304 PolarHBondContact O-N 3.1Å; D302-N304 VanDerWaalsContact O-N 3.09Å; D302-N304 WeakPolarHBondContact OD1-CA 3.36Å; D302-N304 WeakPolarHBondContact OD1-CB 3.24Å; D302-N304 PolarHBondContact OD1-N 2.8Å; D302-E305 PolarHBondContact O-N 2.97Å; D302-E305 PolarHBondContact OD1-N 2.99Å; D302-V306 PolarHBondContact N-O 3.43Å; D302-V306 VanDerWaalsContact N-O 3.1Å; D302-V306 WeakPolarHBondContact OD1-CB 3.45Å; D302-V306 PolarHBondContact OD1-N 2.89Å; D302-K308 HydrophobicContact CB-CG 4.18Å; D302-K308 WeakPolarHBondContact OD2-CE 3.25Å; D302-K308 IonicContact OD2-NZ 3.55Å; D302-K308 PolarHBondContact OD2-NZ 2.87Å
303	E	95.3	Very high	95.6	Very high	181 Å²	181	40.1 Å²	40.1	85%	0.846	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.1	178.6	-60.6	176.7	170.7	0	0	114
304	N	96.1	Very high	95.8	Very high	113 Å²	113	39.3 Å²	39.3	60%	0.604	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	13.5	178.6	-63.9	-64	0	0	0	112.5	R234 D302 V306	R234-N304 WeakPolarHBondContact CD-O 3.42Å; R234-N304 WeakPolarHBondContact CG-O 3.45Å; D302-N304 PolarHBondContact O-N 3.1Å; D302-N304 VanDerWaalsContact O-N 3.09Å; D302-N304 WeakPolarHBondContact OD1-CA 3.36Å; D302-N304 WeakPolarHBondContact OD1-CB 3.24Å; D302-N304 PolarHBondContact OD1-N 2.8Å; N304-V306 HydrophobicContact CB-CG2 4.16Å; N304-V306 PolarHBondContact O-N 3.29Å
305	E	95.6	Very high	96	Very high	87 Å²	87	36.7 Å²	36.7	41%	0.407	19%	0.186	S	C	.	.			trans	63.9	15.4	-174.9	-62.7	-66.5	149.4	0	0	114.1	R234 V235 D302	R234-E305 CarbonylContact C-O 3.56Å; R234-E305 VanDerWaalsContact CA-O 3.24Å; R234-E305 WeakPolarHBondContact CA-O 3.39Å; R234-E305 HydrophobicContact CB-CB 4.28Å; V235-E305 PolarHBondContact N-O 3.03Å; D302-E305 PolarHBondContact O-N 2.97Å; D302-E305 PolarHBondContact OD1-N 2.99Å
306	V	97.6	Very high	96.2	Very high	32 Å²	32	34.6 Å²	34.6	19%	0.194	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-76.4	130.1	179	178.7	0	0	0	0	109.9	G233 R234 V301 D302 N304 K308	G233-V306 WeakPolarHBondContact O-CA 3.29Å; R234-V306 HydrophobicContact CG-CG2 3.97Å; V301-V306 VanDerWaalsContact CA-O 3.3Å; V301-V306 WeakPolarHBondContact CA-O 3.34Å; D302-V306 PolarHBondContact N-O 3.43Å; D302-V306 VanDerWaalsContact N-O 3.1Å; D302-V306 WeakPolarHBondContact OD1-CB 3.45Å; D302-V306 PolarHBondContact OD1-N 2.89Å; N304-V306 HydrophobicContact CB-CG2 4.16Å; N304-V306 PolarHBondContact O-N 3.29Å; V306-K308 PolarHBondContact O-N 3.33Å
307	V	97.7	Very high	96.3	Very high	22 Å²	22	31.7 Å²	31.7	13%	0.133	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	121.6	-179.8	-178.7	0	0	0	0	110.7	I202 V204 P227 V229 G233 V235 V299	I202-V307 HydrophobicContact CG2-CG1 4.03Å; V204-V307 HydrophobicContact CG1-CG1 4.37Å; P227-V307 HydrophobicContact CB-CG2 4.11Å; P227-V307 HydrophobicContact CG-CG1 4.38Å; V229-V307 HydrophobicContact CG1-CB 4.5Å; V229-V307 HydrophobicContact CG1-CG2 3.62Å; G233-V307 PolarHBondContact O-N 3.32Å; V235-V307 HydrophobicContact CB-CG2 3.77Å; V235-V307 HydrophobicContact CG2-CG2 4.34Å; V299-V307 HydrophobicContact CG1-CB 4.37Å; V299-V307 HydrophobicContact CG1-CG1 3.87Å; V299-V307 HydrophobicContact CG1-CG2 3.84Å
308	K	97.4	Very high	96.1	Very high	67 Å²	67	34.2 Å²	34.2	29%	0.291	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-23.4	174.4	-58.7	-54.2	-179.9	-166.9	0	113.1	V300 D302 V306	V300-K308 PolarHBondContact O-N 3.42Å; D302-K308 HydrophobicContact CB-CG 4.18Å; D302-K308 WeakPolarHBondContact OD2-CE 3.25Å; D302-K308 IonicContact OD2-NZ 3.55Å; D302-K308 PolarHBondContact OD2-NZ 2.87Å; V306-K308 PolarHBondContact O-N 3.33Å
309	G	97	Very high	95.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	-176.7	-176.9	0	0	0	0	0	114	T198 V300	T198-G309 CarbonylContact O-C 3.53Å; T198-G309 WeakPolarHBondContact O-CA 3.24Å; V300-G309 PolarHBondContact N-O 3.04Å; V300-G309 PolarHBondContact O-N 2.87Å; V300-G309 VanDerWaalsContact O-N 3.11Å
310	I	97.1	Very high	95.3	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.072	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.5	172.5	-62.2	177.4	0	0	0	107.9	G197 T198 I202 P227 R297	G197-I310 WeakPolarHBondContact CA-O 3.39Å; T198-I310 PolarHBondContact N-O 3.2Å; T198-I310 PolarHBondContact O-N 3.06Å; I202-I310 HydrophobicContact CG2-CD1 3.87Å; I202-I310 HydrophobicContact CG2-CG1 4.03Å; P227-I310 HydrophobicContact CG-CD1 3.82Å; P227-I310 HydrophobicContact CG-CG1 4.28Å; R297-I310 HydrophobicContact CB-CG2 4.07Å; R297-I310 HydrophobicContact CG-CG2 4.28Å
311	V	97.4	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.3	168.2	59.8	0	0	0	0	109.1	L191 I196 I286 R297 L298 V300 I316	L191-V311 HydrophobicContact CD1-CG1 4.22Å; L191-V311 HydrophobicContact CD2-CG2 4.23Å; I196-V311 HydrophobicContact CG2-CG2 4.03Å; I286-V311 HydrophobicContact CG2-CG1 4.1Å; I286-V311 HydrophobicContact CG2-CG2 4.33Å; R297-V311 CarbonylContact C-O 3.53Å; R297-V311 WeakPolarHBondContact CA-O 3.42Å; R297-V311 WeakPolarHBondContact CB-O 3.22Å; L298-V311 HydrophobicContact CB-CG1 3.89Å; L298-V311 PolarHBondContact N-O 3.26Å; L298-V311 PolarHBondContact O-N 3.38Å; L298-V311 VanDerWaalsContact O-N 3.08Å; V300-V311 HydrophobicContact CG2-CB 4.44Å; V300-V311 HydrophobicContact CG2-CG1 4.22Å; V311-I316 HydrophobicContact CG2-CD1 4.27Å; V311-I316 HydrophobicContact CG2-CG1 4.06Å
312	S	95.8	Very high	93.3	Very high	11 Å²	11	39.9 Å²	39.9	8%	0.077	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	163.6	-178.3	75.5	0	0	0	0	112.6	S314 D315 I316	S312-S314 PolarHBondContact O-N 2.81Å; S312-S314 PolarHBondContact OG-N 3.07Å; S312-D315 WeakPolarHBondContact CA-OD2 3.3Å; S312-D315 VanDerWaalsContact CB-OD2 3.26Å; S312-D315 WeakPolarHBondContact CB-OD2 3.41Å; S312-D315 PolarHBondContact N-OD2 2.79Å; S312-D315 PolarHBondContact O-N 2.91Å; S312-D315 VanDerWaalsContact O-N 3.08Å; S312-D315 VanDerWaalsContact OG-CG 3.29Å; S312-D315 PolarHBondContact OG-N 3.14Å; S312-D315 PolarHBondContact OG-OD2 3.2Å; S312-I316 PolarHBondContact O-N 3.12Å; S312-I316 VanDerWaalsContact O-N 3.13Å
313	L	95.6	Very high	91.6	Very high	8 Å²	8	40 Å²	40	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-31.1	174	-64.2	172.1	0	0	0	112.9	H167 K168 L171 L290 H296 L317	H167-L313 HydrophobicContact CB-CB 3.8Å; H167-L313 HydrophobicContact CB-CD1 4.24Å; K168-L313 HydrophobicContact CB-CD1 3.71Å; K168-L313 HydrophobicContact CG-CD1 4.45Å; L171-L313 HydrophobicContact CB-CD2 4.29Å; L171-L313 HydrophobicContact CD2-CD2 3.26Å; L171-L313 HydrophobicContact CG-CD2 4.39Å; L290-L313 HydrophobicContact CB-CD2 4.28Å; L290-L313 HydrophobicContact CD1-CD2 4.17Å; H296-L313 HydrophobicContact CB-CD1 4.25Å; H296-L313 WeakPolarHBondContact O-CG 3.34Å; H296-L313 PolarHBondContact O-N 2.81Å; L313-L317 WeakPolarHBondContact O-CB 3.2Å; L313-L317 WeakPolarHBondContact O-CG 3.44Å; L313-L317 PolarHBondContact O-N 3.28Å
314	S	94.7	Very high	89.1	Confident	26 Å²	26	33.7 Å²	33.7	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-70	-41.1	177.5	-60.4	0	0	0	0	111.4	H167 S312 I316 L317 Q318	H167-S314 PolarHBondContact CD2-OG 2.56Å; H167-S314 PolarHBondContact CE1-OG 2.8Å; H167-S314 VanDerWaalsContact CE1-OG 3.25Å; H167-S314 PolarHBondContact NE2-OG 3.14Å; H167-S314 VanDerWaalsContact NE2-OG 3.11Å; S312-S314 PolarHBondContact O-N 2.81Å; S312-S314 PolarHBondContact OG-N 3.07Å; S314-I316 VanDerWaalsContact C-N 3.33Å; S314-I316 PolarHBondContact O-N 2.88Å; S314-L317 PolarHBondContact O-N 3.03Å; S314-Q318 VanDerWaalsContact O-CB 3.22Å; S314-Q318 WeakPolarHBondContact O-CB 3.36Å; S314-Q318 PolarHBondContact O-N 2.98Å
315	D	95.3	Very high	86.3	Confident	32 Å²	32	32.1 Å²	32.1	17%	0.171	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-42.3	176.9	-51.8	-54.5	0	0	0	110.7	I196 S312 Q318 A319	I196-D315 HydrophobicContact CG2-CB 3.95Å; S312-D315 WeakPolarHBondContact CA-OD2 3.3Å; S312-D315 VanDerWaalsContact CB-OD2 3.26Å; S312-D315 WeakPolarHBondContact CB-OD2 3.41Å; S312-D315 PolarHBondContact N-OD2 2.79Å; S312-D315 PolarHBondContact O-N 2.91Å; S312-D315 VanDerWaalsContact O-N 3.08Å; S312-D315 VanDerWaalsContact OG-CG 3.29Å; S312-D315 PolarHBondContact OG-N 3.14Å; S312-D315 PolarHBondContact OG-OD2 3.2Å; D315-Q318 PolarHBondContact O-N 2.56Å; D315-A319 PolarHBondContact O-N 2.87Å
316	I	94.3	Very high	83.4	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-49.9	177.3	-66.7	173.5	0	0	0	111	L171 I196 L283 I286 I287 L290 V311 S312 S314 Q318 A319 L320	L171-I316 HydrophobicContact CD1-CG2 3.88Å; L171-I316 HydrophobicContact CD2-CG2 4.34Å; I196-I316 HydrophobicContact CG2-CG1 4.45Å; L283-I316 HydrophobicContact CD1-CG1 4.25Å; I286-I316 HydrophobicContact CG2-CD1 3.96Å; I287-I316 HydrophobicContact CD1-CG2 3.96Å; I287-I316 HydrophobicContact CG1-CD1 4.22Å; I287-I316 HydrophobicContact CG1-CG2 3.8Å; L290-I316 HydrophobicContact CD1-CD1 3.14Å; V311-I316 HydrophobicContact CG2-CD1 4.27Å; V311-I316 HydrophobicContact CG2-CG1 4.06Å; S312-I316 PolarHBondContact O-N 3.12Å; S312-I316 VanDerWaalsContact O-N 3.13Å; S314-I316 VanDerWaalsContact C-N 3.33Å; S314-I316 PolarHBondContact O-N 2.88Å; I316-Q318 PolarHBondContact O-N 3.43Å; I316-A319 PolarHBondContact O-N 3.43Å; I316-A319 VanDerWaalsContact O-N 3.14Å; I316-L320 HydrophobicContact CG2-CD1 3.96Å; I316-L320 HydrophobicContact CG2-CG 4.36Å; I316-L320 VanDerWaalsContact O-CG 3.29Å; I316-L320 WeakPolarHBondContact O-CG 3.26Å; I316-L320 PolarHBondContact O-N 2.92Å
317	L	93.4	Very high	80.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-31.7	179.8	-76.1	168.6	0	0	0	112	V140 H167 I170 L171 L174 L313 S314 L320 V321	V140-L317 HydrophobicContact CG1-CB 3.95Å; V140-L317 HydrophobicContact CG2-CD2 4.33Å; H167-L317 HydrophobicContact CB-CD1 3.67Å; I170-L317 HydrophobicContact CB-CD1 4.43Å; I170-L317 HydrophobicContact CG2-CD1 4.48Å; I170-L317 HydrophobicContact CG2-CD2 3.83Å; L171-L317 HydrophobicContact CD1-CD2 4.37Å; L174-L317 HydrophobicContact CD1-CD2 3.84Å; L313-L317 WeakPolarHBondContact O-CB 3.2Å; L313-L317 WeakPolarHBondContact O-CG 3.44Å; L313-L317 PolarHBondContact O-N 3.28Å; S314-L317 PolarHBondContact O-N 3.03Å; L317-L320 HydrophobicContact CD2-CD1 4.4Å; L317-L320 PolarHBondContact O-N 2.77Å; L317-V321 WeakPolarHBondContact O-CB 3.44Å; L317-V321 WeakPolarHBondContact O-CG2 3.23Å; L317-V321 PolarHBondContact O-N 3.29Å
318	Q	92.5	Very high	77.1	Confident	86 Å²	86	45.6 Å²	45.6	40%	0.402	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-46.6	171.4	-179.8	172.7	2.6	0	0	111.3	L144 S314 D315 I316 L320 V321 L322	L144-Q318 HydrophobicContact CD1-CB 3.86Å; L144-Q318 HydrophobicContact CD1-CG 4.36Å; L144-Q318 HydrophobicContact CD2-CB 4.11Å; S314-Q318 VanDerWaalsContact O-CB 3.22Å; S314-Q318 WeakPolarHBondContact O-CB 3.36Å; S314-Q318 PolarHBondContact O-N 2.98Å; D315-Q318 PolarHBondContact O-N 2.56Å; I316-Q318 PolarHBondContact O-N 3.43Å; Q318-L320 VanDerWaalsContact C-N 3.29Å; Q318-L320 PolarHBondContact O-N 2.95Å; Q318-V321 PolarHBondContact O-N 3.43Å; Q318-V321 VanDerWaalsContact O-N 3.14Å; Q318-L322 HydrophobicContact CG-CD1 3.38Å; Q318-L322 HydrophobicContact CG-CG 3.92Å; Q318-L322 VanDerWaalsContact NE2-CD1 3.3Å; Q318-L322 WeakPolarHBondContact O-CB 3.4Å; Q318-L322 WeakPolarHBondContact O-CG 3.24Å; Q318-L322 PolarHBondContact O-N 2.8Å
319	A	89.7	Confident	73.7	Confident	23 Å²	23	48.5 Å²	48.5	19%	0.19	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-36.5	176.1	0	0	0	0	0	112.7	I196 D315 I316 V321 T323	I196-A319 HydrophobicContact CD1-CB 3.37Å; I196-A319 HydrophobicContact CG1-CB 3.77Å; D315-A319 PolarHBondContact O-N 2.87Å; I316-A319 PolarHBondContact O-N 3.43Å; I316-A319 VanDerWaalsContact O-N 3.14Å; A319-V321 PolarHBondContact O-N 3.39Å; A319-T323 VanDerWaalsContact O-CG2 3.31Å; A319-T323 WeakPolarHBondContact O-CG2 3.34Å
320	L	87.3	Confident	70.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-72.3	-14.9	176.9	-65.5	174.4	0	0	0	114	Y27 L171 L174 F186 I316 L317 Q318	Y27-L320 HydrophobicContact CD1-CD2 4.14Å; Y27-L320 HydrophobicContact CD2-CD2 4.13Å; Y27-L320 HydrophobicContact CE1-CD2 4.31Å; Y27-L320 HydrophobicContact CE2-CD2 4.3Å; Y27-L320 HydrophobicContact CG-CD2 4.02Å; L171-L320 HydrophobicContact CD1-CD1 4.01Å; L174-L320 HydrophobicContact CD1-CD1 4.09Å; F186-L320 HydrophobicContact CE2-CD2 3.74Å; F186-L320 HydrophobicContact CZ-CD2 3.82Å; I316-L320 HydrophobicContact CG2-CD1 3.96Å; I316-L320 HydrophobicContact CG2-CG 4.36Å; I316-L320 VanDerWaalsContact O-CG 3.29Å; I316-L320 WeakPolarHBondContact O-CG 3.26Å; I316-L320 PolarHBondContact O-N 2.92Å; L317-L320 HydrophobicContact CD2-CD1 4.4Å; L317-L320 PolarHBondContact O-N 2.77Å; Q318-L320 VanDerWaalsContact C-N 3.29Å; Q318-L320 PolarHBondContact O-N 2.95Å
321	V	83.6	Confident	67.3	Low	5 Å²	5	62.5 Å²	62.5	3%	0.03	37%	0.373	C	S	.	.	H	α-helix	trans	-104.9	-43.1	-179.6	165.3	0	0	0	0	112.3	M31 Y137 V140 L317 Q318 A319 T323	M31-V321 HydrophobicContact CE-CG2 3.56Å; M31-V321 HydrophobicContact SD-CG2 4.25Å; Y137-V321 HydrophobicContact CD2-CG1 4.4Å; Y137-V321 HydrophobicContact CD2-CG2 4.45Å; Y137-V321 HydrophobicContact CE2-CB 4.48Å; Y137-V321 HydrophobicContact CE2-CG1 3.65Å; Y137-V321 HydrophobicContact CE2-CG2 4.42Å; V140-V321 HydrophobicContact CB-CG2 4.11Å; V140-V321 HydrophobicContact CG1-CG2 3.55Å; L317-V321 WeakPolarHBondContact O-CB 3.44Å; L317-V321 WeakPolarHBondContact O-CG2 3.23Å; L317-V321 PolarHBondContact O-N 3.29Å; Q318-V321 PolarHBondContact O-N 3.43Å; Q318-V321 VanDerWaalsContact O-N 3.14Å; A319-V321 PolarHBondContact O-N 3.39Å; V321-T323 PolarHBondContact O-N 3.25Å
322	L	70.3	Confident	63.9	Low	96 Å²	96	65.4 Å²	65.4	50%	0.503	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	5.9	-176.6	-67.2	-175.6	0	0	0	114.2	Q318 D324	Q318-L322 HydrophobicContact CG-CD1 3.38Å; Q318-L322 HydrophobicContact CG-CG 3.92Å; Q318-L322 VanDerWaalsContact NE2-CD1 3.3Å; Q318-L322 WeakPolarHBondContact O-CB 3.4Å; Q318-L322 WeakPolarHBondContact O-CG 3.24Å; Q318-L322 PolarHBondContact O-N 2.8Å; L322-D324 PolarHBondContact O-N 2.99Å; L322-D324 VanDerWaalsContact O-O 3.09Å
323	T	60.5	Low	60.7	Low	37 Å²	37	70.2 Å²	70.2	23%	0.227	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-2	169.5	39.1	0	0	0	0	113.8	Q24 A319 V321	Q24-T323 VanDerWaalsContact CG-CB 3.43Å; Q24-T323 HydrophobicContact CG-CG2 3.61Å; Q24-T323 PolarHBondContact O-OG1 3.28Å; A319-T323 VanDerWaalsContact O-CG2 3.31Å; A319-T323 WeakPolarHBondContact O-CG2 3.34Å; V321-T323 PolarHBondContact O-N 3.25Å
324	D	42.2	Very low	57.6	Low	48 Å²	48	81.4 Å²	81.4	26%	0.257	50%	0.496	S	S	.	.	S	Bend	trans	-74.7	116.5	154.3	-78.8	-6.8	0	0	0	106.8	K32 L322 E326	K32-D324 IonicContact NZ-OD2 2.85Å; K32-D324 PolarHBondContact NZ-OD2 2.75Å; L322-D324 PolarHBondContact O-N 2.99Å; L322-D324 VanDerWaalsContact O-O 3.09Å; D324-E326 VanDerWaalsContact C-N 3.25Å; D324-E326 PolarHBondContact O-N 3.43Å
325	G	37.4	Very low	55.8	Low	81 Å²	81	84.2 Å²	84.2	84%	0.835	51%	0.512	S	S	*	.			trans	-59.6	71.8	-175.6	0	0	0	0	0	115.6	E327	G325-E327 PolarHBondContact O-N 3.24Å
326	E	33.8	Very low	53.7	Low	167 Å²	167	86.9 Å²	86.9	78%	0.78	53%	0.53	S	S	*	.			trans	-82.3	90.5	156.8	-72.1	-167.9	166.7	0	0	107.7	D324 G328	D324-E326 VanDerWaalsContact C-N 3.25Å; D324-E326 PolarHBondContact O-N 3.43Å; E326-G328 PolarHBondContact O-N 3.35Å
327	E	32.2	Very low	51.4	Low	184 Å²	184	91.8 Å²	91.8	86%	0.86	56%	0.559	S	S	*	*			trans	-44.9	131.8	159.1	-72.3	-174.1	152.7	0	0	109.5	G325 T329	G325-E327 PolarHBondContact O-N 3.24Å; E327-T329 PolarHBondContact O-N 3.32Å
328	G	32.3	Very low	48.9	Very low	73 Å²	73	97.2 Å²	97.2	75%	0.753	59%	0.592	S	S	*	*			trans	-46	112.4	-172.9	0	0	0	0	0	113.8	E326 T330	E326-G328 PolarHBondContact O-N 3.35Å; G328-T330 PolarHBondContact O-N 2.82Å
329	T	25.1	Very low	46.2	Very low	128 Å²	128	97.9 Å²	97.9	79%	0.785	60%	0.604	S	S	*	*			trans	-78.8	100.7	145.8	-4.5	0	0	0	0	106.5	E327 L331	E327-T329 PolarHBondContact O-N 3.32Å; T329-L331 PolarHBondContact O-N 2.62Å
330	T	29.2	Very low	43.3	Very low	130 Å²	130	102.9 Å²	102.9	80%	0.798	63%	0.631	S	S	*	*			trans	-39.7	107.1	158.8	44.3	0	0	0	0	109.5	G328 G332	G328-T330 PolarHBondContact O-N 2.82Å; T330-G332 PolarHBondContact O-N 3.1Å
331	L	30.6	Very low	40.2	Very low	178 Å²	178	110.2 Å²	110.2	93%	0.932	68%	0.676	S	S	*	*			trans	-67.9	89.2	159	-86.5	153.5	0	0	0	106.1	T329 S333	T329-L331 PolarHBondContact O-N 2.62Å; L331-S333 PolarHBondContact O-N 3.27Å
332	G	26.3	Very low	36.8	Very low	61 Å²	61	118.3 Å²	118.3	63%	0.629	73%	0.726	S	S	*	*			trans	-53.1	127.7	170.6	0	0	0	0	0	109.5	T330 N334	T330-G332 PolarHBondContact O-N 3.1Å; G332-N334 PolarHBondContact O-N 3.1Å
333	S	29.2	Very low	34.1	Very low	112 Å²	112	120.2 Å²	120.2	78%	0.783	75%	0.745	S	S	*	*			trans	-39	119.4	152.1	40.6	0	0	0	0	111.1	L331	L331-S333 PolarHBondContact O-N 3.27Å
334	N	29.9	Very low	31.7	Very low	243 Å²	243	127.7 Å²	127.7	100%	1.299	79%	0.792	S	S	*	*			trans	-144.1	0	139.7	-90.3	-20	0	0	0	108.1	G332	G332-N334 PolarHBondContact O-N 3.1Å

Retrieved 334 of 334 residues in 234.4 ms (Link to these results)

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