A0A2K6ASN2_MACNE Loading...

Peroxiredoxin-6

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively.

AlphaFold DB , UniProt , Accession A0A2K6ASN2, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene PRDX6, Length 224 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	42.8	Very low	84.3	Confident	236 Å²	236	88.5 Å²	88.5	100%	1.163	53%	0.528	S	S	*	.				0	133	0	-69.4	-173.1	-98.8	0	0	107	G3	M1-G3 PolarHBondContact O-N 2.66Å
2	P	51.6	Low	85.4	Confident	141 Å²	141	83.8 Å²	83.8	92%	0.916	50%	0.501	S	S	*	.			trans	-74.5	101.6	-178.1	29.4	-29.3	0	0	0	109.8
3	G	69.9	Low	86.4	Confident	52 Å²	52	82.6 Å²	82.6	54%	0.536	49%	0.491	S	S	.	.	S	Bend	trans	70.2	115.9	156.3	0	0	0	0	0	118.8	M1	M1-G3 PolarHBondContact O-N 2.66Å
4	G	81.6	Confident	87.2	Confident	43 Å²	43	78 Å²	78	44%	0.443	46%	0.462	S	S	.	.			trans	106.2	147.5	161.8	0	0	0	0	0	115.2
5	L	93.6	Very high	88	Confident	29 Å²	29	78.2 Å²	78.2	15%	0.152	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-98.6	139.9	172.6	-68.9	175.4	0	0	0	110.6	D9 L114 F135 F137 L143	L5-D9 HydrophobicContact CD2-CB 4.12Å; L5-L114 HydrophobicContact CD1-CD2 3.66Å; L5-L114 HydrophobicContact CG-CD2 4.15Å; L5-F135 HydrophobicContact CB-CE1 4.37Å; L5-F135 HydrophobicContact CD1-CE1 4.48Å; L5-F137 HydrophobicContact CD1-CE1 3.95Å; L5-F137 HydrophobicContact CD1-CZ 3.91Å; L5-L143 HydrophobicContact CB-CD2 3.78Å
6	L	96.8	Very high	88.6	Confident	126 Å²	126	73.9 Å²	73.9	66%	0.66	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-99.9	160.7	171.8	-58.4	179	0	0	0	111.2	G8 D9 L143	L6-G8 PolarHBondContact O-N 3.46Å; L6-D9 WeakPolarHBondContact CB-OD2 3.48Å; L6-D9 PolarHBondContact N-OD2 2.79Å; L6-D9 VanDerWaalsContact O-CB 3.29Å; L6-D9 WeakPolarHBondContact O-CB 3.45Å; L6-D9 PolarHBondContact O-N 3.21Å; L6-L143 WeakPolarHBondContact O-CD2 3.16Å
7	L	98.2	Very high	89.2	Confident	123 Å²	123	74.7 Å²	74.7	64%	0.644	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	128.3	175.6	-69.6	-179	0	0	0	110.8	D9 L143 K144	L7-D9 VanDerWaalsContact C-N 3.34Å; L7-L143 HydrophobicContact CD2-CG 4.42Å; L7-K144 WeakPolarHBondContact CD2-O 3.32Å
8	G	97.6	Very high	89.7	Confident	36 Å²	36	70.8 Å²	70.8	37%	0.371	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-9.7	-177.8	0	0	0	0	0	115	L6 K142 L143	L6-G8 PolarHBondContact O-N 3.46Å; G8-K142 VanDerWaalsContact O-CD 3.32Å; G8-K142 WeakPolarHBondContact O-CD 3.37Å; G8-K142 WeakPolarHBondContact O-CG 3.21Å; G8-L143 PolarHBondContact N-O 3.17Å
9	D	98.3	Very high	90.2	Very high	63 Å²	63	68.6 Å²	68.6	34%	0.337	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-64.6	140.6	172.6	-71.7	-12.1	0	0	0	110.2	L5 L6 L7 K142 L143	L5-D9 HydrophobicContact CD2-CB 4.12Å; L6-D9 WeakPolarHBondContact CB-OD2 3.48Å; L6-D9 PolarHBondContact N-OD2 2.79Å; L6-D9 VanDerWaalsContact O-CB 3.29Å; L6-D9 WeakPolarHBondContact O-CB 3.45Å; L6-D9 PolarHBondContact O-N 3.21Å; L7-D9 VanDerWaalsContact C-N 3.34Å; D9-K142 CarbonylContact O-C 3.58Å; D9-K142 VanDerWaalsContact O-CA 3.25Å; D9-K142 WeakPolarHBondContact O-CA 3.39Å; D9-L143 PolarHBondContact O-N 3.34Å
10	E	98.4	Very high	90.6	Very high	122 Å²	122	70.3 Å²	70.3	57%	0.57	41%	0.411	S	S	*	.	B	Isolated β-bridge	trans	-72.1	133.4	173	-168.2	174.8	166.9	0	0	110	H26 K141	E10-H26 IonicContact OE1-CE1 2.68Å; E10-H26 PolarHBondContact OE1-CE1 3.18Å; E10-H26 VanDerWaalsContact OE1-CE1 3.3Å; E10-K141 HydrophobicContact CG-CB 4.01Å
11	A	98.2	Very high	91	Very high	2 Å²	2	68.7 Å²	68.7	2%	0.017	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-59	136.6	176.2	0	0	0	0	0	110.1	N13 F25 H26 F137 K141	A11-N13 PolarHBondContact O-N 3.35Å; A11-F25 HydrophobicContact CB-CD1 4.01Å; A11-F25 HydrophobicContact CB-CE1 3.74Å; A11-H26 PolarHBondContact O-NE2 3.13Å; A11-F137 HydrophobicContact CB-CD1 3.71Å; A11-F137 HydrophobicContact CB-CE1 3.55Å; A11-F137 HydrophobicContact CB-CE2 4.39Å; A11-F137 HydrophobicContact CB-CG 4.21Å; A11-F137 HydrophobicContact CB-CZ 3.91Å; A11-K141 WeakPolarHBondContact CB-O 3.26Å; A11-K141 PolarHBondContact N-O 3.06Å
12	P	97.6	Very high	93.6	Very high	32 Å²	32	65.8 Å²	65.8	21%	0.208	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-58.5	131.2	172.9	-22.7	33.2	0	0	0	110.8	F14 L113 L114	P12-F14 HydrophobicContact CB-CD1 4.43Å; P12-F14 VanDerWaalsContact O-CD1 3.24Å; P12-F14 WeakPolarHBondContact O-CD1 3.44Å; P12-F14 PolarHBondContact O-N 2.93Å; P12-L113 HydrophobicContact CB-CD2 3.8Å; P12-L113 HydrophobicContact CG-CD2 4.01Å; P12-L113 HydrophobicContact CG-CG 4.21Å; P12-L114 HydrophobicContact CG-CD2 3.84Å
13	N	98.2	Very high	95.9	Very high	69 Å²	69	60.1 Å²	60.1	37%	0.369	35%	0.347	S	S	.	.			trans	-83	60.4	177.3	-162.9	9.5	0	0	0	111.3	A11 R24 F25 H26	A11-N13 PolarHBondContact O-N 3.35Å; N13-R24 WeakPolarHBondContact OD1-CG 3.33Å; N13-F25 PolarHBondContact OD1-N 3.08Å; N13-H26 VanDerWaalsContact OD1-CB 3.27Å; N13-H26 WeakPolarHBondContact OD1-CB 3.32Å; N13-H26 VanDerWaalsContact OD1-CG 3.3Å; N13-H26 PolarHBondContact OD1-N 2.64Å
14	F	98.2	Very high	97.2	Very high	18 Å²	18	63 Å²	63	8%	0.079	34%	0.342	C	S	.	.			trans	-71.7	161.2	-176.6	61.5	-99.5	0	0	0	112	P12 A16 R24 F25 L36 I103 L110	P12-F14 HydrophobicContact CB-CD1 4.43Å; P12-F14 VanDerWaalsContact O-CD1 3.24Å; P12-F14 WeakPolarHBondContact O-CD1 3.44Å; P12-F14 PolarHBondContact O-N 2.93Å; F14-A16 HydrophobicContact CD2-CB 4.02Å; F14-A16 HydrophobicContact CE2-CB 4.13Å; F14-R24 WeakPolarHBondContact O-CA 3.27Å; F14-F25 HydrophobicContact CD1-CB 3.95Å; F14-F25 HydrophobicContact CD1-CD1 4.39Å; F14-F25 HydrophobicContact CD1-CG 4.16Å; F14-F25 HydrophobicContact CD2-CB 4.14Å; F14-F25 HydrophobicContact CE1-CB 3.74Å; F14-F25 AromaticContact CE1-CD1 3.74Å; F14-F25 HydrophobicContact CE1-CD1 3.74Å; F14-F25 AromaticContact CE1-CD2 3.8Å; F14-F25 HydrophobicContact CE1-CD2 3.8Å; F14-F25 HydrophobicContact CE1-CE1 4.28Å; F14-F25 HydrophobicContact CE1-CE2 4.32Å; F14-F25 AromaticContact CE1-CG 3.48Å; F14-F25 HydrophobicContact CE1-CG 3.48Å; F14-F25 VanDerWaalsContact CE1-CG 3.48Å; F14-F25 HydrophobicContact CE2-CB 3.94Å; F14-F25 HydrophobicContact CE2-CD2 4.04Å; F14-F25 HydrophobicContact CE2-CG 4.17Å; F14-F25 HydrophobicContact CG-CB 4.15Å; F14-F25 HydrophobicContact CZ-CB 3.74Å; F14-F25 HydrophobicContact CZ-CD1 4.18Å; F14-F25 AromaticContact CZ-CD2 3.34Å; F14-F25 HydrophobicContact CZ-CD2 3.34Å; F14-F25 AromaticContact CZ-CE2 3.93Å; F14-F25 HydrophobicContact CZ-CE2 3.93Å; F14-F25 AromaticContact CZ-CG 3.49Å; F14-F25 HydrophobicContact CZ-CG 3.49Å; F14-F25 VanDerWaalsContact CZ-CG 3.49Å; F14-F25 PolarHBondContact O-N 2.82Å; F14-L36 HydrophobicContact CE1-CD1 4.12Å; F14-L36 HydrophobicContact CZ-CD1 4Å; F14-I103 HydrophobicContact CE2-CD1 4.01Å; F14-I103 HydrophobicContact CZ-CD1 4Å; F14-L110 HydrophobicContact CB-CD2 3.59Å; F14-L110 HydrophobicContact CD1-CD2 3.87Å; F14-L110 HydrophobicContact CD2-CD1 3.77Å; F14-L110 HydrophobicContact CD2-CD2 3.87Å; F14-L110 HydrophobicContact CE2-CD1 3.76Å; F14-L110 HydrophobicContact CG-CD1 4.23Å; F14-L110 HydrophobicContact CG-CD2 3.51Å; F14-L110 HydrophobicContact CZ-CD1 4.2Å
15	E	98.4	Very high	98.1	Very high	81 Å²	81	61 Å²	61	38%	0.379	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135	166	-66.6	-178.4	-170.2	0	0	109.5	R22 I23 R24	E15-R22 IonicContact OE2-CZ 3.95Å; E15-R22 VanDerWaalsContact OE2-CZ 3.27Å; E15-R22 IonicContact OE2-NE 2.73Å; E15-R22 PolarHBondContact OE2-NE 3.28Å; E15-R22 IonicContact OE2-NH2 2.69Å; E15-R22 PolarHBondContact OE2-NH2 2.72Å; E15-I23 WeakPolarHBondContact CA-O 3.49Å; E15-R24 HydrophobicContact CG-CB 4.11Å; E15-R24 HydrophobicContact CG-CG 4.31Å; E15-R24 IonicContact OE1-CZ 2.84Å; E15-R24 VanDerWaalsContact OE1-CZ 3.29Å; E15-R24 IonicContact OE1-NE 3.29Å; E15-R24 PolarHBondContact OE1-NE 2.86Å; E15-R24 VanDerWaalsContact OE1-NE 3.08Å; E15-R24 IonicContact OE1-NH2 2.86Å; E15-R24 PolarHBondContact OE1-NH2 2.68Å
16	A	98.3	Very high	98.3	Very high	10 Å²	10	60.9 Å²	60.9	8%	0.083	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.1	-179.9	0	0	0	0	0	111.4	F14 R22 I23 I103 L110	F14-A16 HydrophobicContact CD2-CB 4.02Å; F14-A16 HydrophobicContact CE2-CB 4.13Å; A16-R22 WeakPolarHBondContact O-CA 3.44Å; A16-I23 PolarHBondContact N-O 2.76Å; A16-I23 VanDerWaalsContact N-O 3.14Å; A16-I23 PolarHBondContact O-N 2.75Å; A16-I103 HydrophobicContact CB-CG2 3.65Å; A16-L110 HydrophobicContact CB-CD1 4.09Å
17	N	98.6	Very high	98.4	Very high	87 Å²	87	60.1 Å²	60.1	47%	0.465	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	143	168	-66.1	-44.7	0	0	0	109.2	V76 D104	N17-V76 HydrophobicContact CB-CG2 4.09Å; N17-D104 PolarHBondContact O-N 3.05Å
18	T	98.8	Very high	98.4	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	172	179.6	75.9	0	0	0	0	110.3	V20 G21 I23 I102 I103	T18-V20 PolarHBondContact O-N 3.08Å; T18-V20 WeakPolarHBondContact OG1-CG2 3.44Å; T18-V20 PolarHBondContact OG1-N 3.37Å; T18-G21 WeakPolarHBondContact CB-O 3.42Å; T18-G21 PolarHBondContact N-O 3.32Å; T18-G21 PolarHBondContact O-N 3.1Å; T18-G21 PolarHBondContact OG1-O 2.94Å; T18-I23 HydrophobicContact CG2-CD1 3.85Å; T18-I23 HydrophobicContact CG2-CG1 3.83Å; T18-I23 HydrophobicContact CG2-CG2 4.18Å; T18-I102 WeakPolarHBondContact CA-O 3.27Å; T18-I102 WeakPolarHBondContact CB-O 3.41Å; T18-I103 HydrophobicContact CG2-CB 4.47Å; T18-I103 HydrophobicContact CG2-CG1 3.88Å
19	T	98.7	Very high	98.5	Very high	29 Å²	29	54.6 Å²	54.6	18%	0.178	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-12.5	172.7	53.8	0	0	0	0	114.9	H79 L80 P101 I102	T19-H79 HydrophobicContact CG2-CB 3.43Å; T19-H79 VanDerWaalsContact CG2-CB 3.43Å; T19-L80 HydrophobicContact CG2-CD2 4.03Å; T19-L80 HydrophobicContact CG2-CG 4.18Å; T19-P101 WeakPolarHBondContact OG1-CA 3.13Å; T19-I102 HydrophobicContact CG2-CB 4.01Å; T19-I102 HydrophobicContact CG2-CG1 4.36Å; T19-I102 PolarHBondContact N-O 3.03Å; T19-I102 VanDerWaalsContact N-O 3.1Å; T19-I102 PolarHBondContact OG1-N 2.65Å; T19-I102 VanDerWaalsContact OG1-N 3.11Å
20	V	98.3	Very high	98.5	Very high	102 Å²	102	52.8 Å²	52.8	62%	0.618	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	16.5	175.9	-54.2	0	0	0	0	113.2	T18 P101	T18-V20 PolarHBondContact O-N 3.08Å; T18-V20 WeakPolarHBondContact OG1-CG2 3.44Å; T18-V20 PolarHBondContact OG1-N 3.37Å; V20-P101 HydrophobicContact CG1-CB 4.38Å; V20-P101 HydrophobicContact CG2-CB 3.85Å; V20-P101 HydrophobicContact CG2-CG 4.43Å
21	G	98.3	Very high	98.5	Very high	37 Å²	37	53.5 Å²	53.5	38%	0.381	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	101.8	-173	-177.6	0	0	0	0	0	113.3	T18	T18-G21 WeakPolarHBondContact CB-O 3.42Å; T18-G21 PolarHBondContact N-O 3.32Å; T18-G21 PolarHBondContact O-N 3.1Å; T18-G21 PolarHBondContact OG1-O 2.94Å
22	R	98.5	Very high	98.5	Very high	174 Å²	174	54 Å²	54	66%	0.657	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.9	-179.2	-171.4	174.4	178.1	168.5	1.7	110.5	E15 A16	E15-R22 IonicContact OE2-CZ 3.95Å; E15-R22 VanDerWaalsContact OE2-CZ 3.27Å; E15-R22 IonicContact OE2-NE 2.73Å; E15-R22 PolarHBondContact OE2-NE 3.28Å; E15-R22 IonicContact OE2-NH2 2.69Å; E15-R22 PolarHBondContact OE2-NH2 2.72Å; A16-R22 WeakPolarHBondContact O-CA 3.44Å
23	I	98.7	Very high	98.6	Very high	22 Å²	22	53.8 Å²	53.8	11%	0.113	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.8	176.8	69.7	169.9	0	0	0	110.9	E15 A16 T18 F28 I69	E15-I23 WeakPolarHBondContact CA-O 3.49Å; A16-I23 PolarHBondContact N-O 2.76Å; A16-I23 VanDerWaalsContact N-O 3.14Å; A16-I23 PolarHBondContact O-N 2.75Å; T18-I23 HydrophobicContact CG2-CD1 3.85Å; T18-I23 HydrophobicContact CG2-CG1 3.83Å; T18-I23 HydrophobicContact CG2-CG2 4.18Å; I23-F28 HydrophobicContact CB-CB 4.34Å; I23-F28 HydrophobicContact CD1-CB 4.07Å; I23-F28 HydrophobicContact CD1-CD2 4.49Å; I23-F28 HydrophobicContact CD1-CG 4.1Å; I23-I69 HydrophobicContact CD1-CD1 3.43Å; I23-I69 VanDerWaalsContact CD1-CD1 3.43Å
24	R	98.8	Very high	98.6	Very high	112 Å²	112	50.5 Å²	50.5	42%	0.423	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.9	158.3	177	174.5	-73.8	-172.4	-2.6	107.6	N13 F14 E15 H26 D27 F28	N13-R24 WeakPolarHBondContact OD1-CG 3.33Å; F14-R24 WeakPolarHBondContact O-CA 3.27Å; E15-R24 HydrophobicContact CG-CB 4.11Å; E15-R24 HydrophobicContact CG-CG 4.31Å; E15-R24 IonicContact OE1-CZ 2.84Å; E15-R24 VanDerWaalsContact OE1-CZ 3.29Å; E15-R24 IonicContact OE1-NE 3.29Å; E15-R24 PolarHBondContact OE1-NE 2.86Å; E15-R24 VanDerWaalsContact OE1-NE 3.08Å; E15-R24 IonicContact OE1-NH2 2.86Å; E15-R24 PolarHBondContact OE1-NH2 2.68Å; R24-H26 PolarHBondContact O-N 3.08Å; R24-D27 HydrophobicContact CB-CB 4.24Å; R24-D27 WeakPolarHBondContact CD-OD2 3.36Å; R24-D27 PolarHBondContact O-N 3.07Å; R24-D27 VanDerWaalsContact O-N 3.13Å; R24-F28 PolarHBondContact O-N 2.84Å
25	F	98.8	Very high	98.6	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-43.2	-162.4	-170.5	-123.1	0	0	0	113.6	A11 N13 F14 D27 F28 L29 L36 I69 F137	A11-F25 HydrophobicContact CB-CD1 4.01Å; A11-F25 HydrophobicContact CB-CE1 3.74Å; N13-F25 PolarHBondContact OD1-N 3.08Å; F14-F25 HydrophobicContact CD1-CB 3.95Å; F14-F25 HydrophobicContact CD1-CD1 4.39Å; F14-F25 HydrophobicContact CD1-CG 4.16Å; F14-F25 HydrophobicContact CD2-CB 4.14Å; F14-F25 HydrophobicContact CE1-CB 3.74Å; F14-F25 AromaticContact CE1-CD1 3.74Å; F14-F25 HydrophobicContact CE1-CD1 3.74Å; F14-F25 AromaticContact CE1-CD2 3.8Å; F14-F25 HydrophobicContact CE1-CD2 3.8Å; F14-F25 HydrophobicContact CE1-CE1 4.28Å; F14-F25 HydrophobicContact CE1-CE2 4.32Å; F14-F25 AromaticContact CE1-CG 3.48Å; F14-F25 HydrophobicContact CE1-CG 3.48Å; F14-F25 VanDerWaalsContact CE1-CG 3.48Å; F14-F25 HydrophobicContact CE2-CB 3.94Å; F14-F25 HydrophobicContact CE2-CD2 4.04Å; F14-F25 HydrophobicContact CE2-CG 4.17Å; F14-F25 HydrophobicContact CG-CB 4.15Å; F14-F25 HydrophobicContact CZ-CB 3.74Å; F14-F25 HydrophobicContact CZ-CD1 4.18Å; F14-F25 AromaticContact CZ-CD2 3.34Å; F14-F25 HydrophobicContact CZ-CD2 3.34Å; F14-F25 AromaticContact CZ-CE2 3.93Å; F14-F25 HydrophobicContact CZ-CE2 3.93Å; F14-F25 AromaticContact CZ-CG 3.49Å; F14-F25 HydrophobicContact CZ-CG 3.49Å; F14-F25 VanDerWaalsContact CZ-CG 3.49Å; F14-F25 PolarHBondContact O-N 2.82Å; F25-D27 VanDerWaalsContact C-N 3.34Å; F25-D27 PolarHBondContact O-N 3.4Å; F25-F28 HydrophobicContact CD2-CD1 4.47Å; F25-F28 HydrophobicContact CE2-CD1 4.5Å; F25-F28 PolarHBondContact O-N 3.21Å; F25-L29 HydrophobicContact CD1-CD1 4.12Å; F25-L29 HydrophobicContact CE1-CD1 3.67Å; F25-L29 HydrophobicContact CE1-CG 4.36Å; F25-L29 HydrophobicContact CE2-CD1 4.49Å; F25-L29 HydrophobicContact CE2-CD2 4.38Å; F25-L29 HydrophobicContact CE2-CG 4.34Å; F25-L29 HydrophobicContact CZ-CD1 3.88Å; F25-L29 HydrophobicContact CZ-CD2 4.28Å; F25-L29 HydrophobicContact CZ-CG 4.2Å; F25-L29 WeakPolarHBondContact O-CG 3.07Å; F25-L29 PolarHBondContact O-N 3.04Å; F25-L36 HydrophobicContact CE2-CD1 4.07Å; F25-L36 HydrophobicContact CZ-CB 4.29Å; F25-L36 HydrophobicContact CZ-CD1 3.98Å; F25-I69 HydrophobicContact CE2-CG2 4.01Å; F25-F137 AromaticContact CE1-CD2 3.95Å; F25-F137 HydrophobicContact CE1-CD2 3.95Å; F25-F137 AromaticContact CE1-CE2 3.86Å; F25-F137 HydrophobicContact CE1-CE2 3.86Å; F25-F137 AromaticContact CZ-CD2 3.89Å; F25-F137 HydrophobicContact CZ-CD2 3.89Å; F25-F137 AromaticContact CZ-CE2 3.85Å; F25-F137 HydrophobicContact CZ-CE2 3.85Å
26	H	98.8	Very high	98.7	Very high	27 Å²	27	45.9 Å²	45.9	13%	0.125	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-36.7	178.9	-69.2	-166.8	0	0	0	112.4	E10 A11 N13 R24 L29 G30 K141	E10-H26 IonicContact OE1-CE1 2.68Å; E10-H26 PolarHBondContact OE1-CE1 3.18Å; E10-H26 VanDerWaalsContact OE1-CE1 3.3Å; A11-H26 PolarHBondContact O-NE2 3.13Å; N13-H26 VanDerWaalsContact OD1-CB 3.27Å; N13-H26 WeakPolarHBondContact OD1-CB 3.32Å; N13-H26 VanDerWaalsContact OD1-CG 3.3Å; N13-H26 PolarHBondContact OD1-N 2.64Å; R24-H26 PolarHBondContact O-N 3.08Å; H26-L29 PolarHBondContact O-N 2.94Å; H26-G30 PolarHBondContact O-N 3.24Å; H26-K141 HydrophobicContact CB-CD 4.17Å; H26-K141 WeakPolarHBondContact O-CE 3.44Å
27	D	98.8	Very high	98.7	Very high	111 Å²	111	45.5 Å²	45.5	59%	0.594	24%	0.237	S	C	*	.	H	α-helix	trans	-67.8	-40.8	177.3	-58.1	-3.7	0	0	0	110.3	R24 F25 G30	R24-D27 HydrophobicContact CB-CB 4.24Å; R24-D27 WeakPolarHBondContact CD-OD2 3.36Å; R24-D27 PolarHBondContact O-N 3.07Å; R24-D27 VanDerWaalsContact O-N 3.13Å; F25-D27 VanDerWaalsContact C-N 3.34Å; F25-D27 PolarHBondContact O-N 3.4Å; D27-G30 PolarHBondContact O-N 2.83Å
28	F	98.8	Very high	98.7	Very high	42 Å²	42	41.3 Å²	41.3	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-46.8	173.4	167.3	-99.4	0	0	0	111.5	I23 R24 F25 K67 I69 P101	I23-F28 HydrophobicContact CB-CB 4.34Å; I23-F28 HydrophobicContact CD1-CB 4.07Å; I23-F28 HydrophobicContact CD1-CD2 4.49Å; I23-F28 HydrophobicContact CD1-CG 4.1Å; R24-F28 PolarHBondContact O-N 2.84Å; F25-F28 HydrophobicContact CD2-CD1 4.47Å; F25-F28 HydrophobicContact CE2-CD1 4.5Å; F25-F28 PolarHBondContact O-N 3.21Å; F28-K67 HydrophobicContact CE1-CB 4.12Å; F28-K67 HydrophobicContact CZ-CB 4.1Å; F28-K67 HydrophobicContact CZ-CD 4.46Å; F28-K67 VanDerWaalsContact O-CD 3.23Å; F28-K67 WeakPolarHBondContact O-CD 3.44Å; F28-K67 PolarHBondContact O-NZ 3.14Å; F28-I69 HydrophobicContact CD1-CD1 4.12Å; F28-I69 HydrophobicContact CE1-CB 3.84Å; F28-I69 HydrophobicContact CE1-CD1 3.88Å; F28-I69 HydrophobicContact CE1-CG1 4.48Å; F28-I69 HydrophobicContact CE1-CG2 3.91Å; F28-I69 HydrophobicContact CZ-CB 4.02Å; F28-I69 HydrophobicContact CZ-CD1 4.13Å; F28-P101 HydrophobicContact CE2-CG 3.78Å; F28-P101 HydrophobicContact CZ-CG 3.94Å
29	L	98.6	Very high	98.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-45.3	176.8	-69.1	-177.8	0	0	0	111.1	F25 H26 D31 S32 G34 K67 F137 K141	F25-L29 HydrophobicContact CD1-CD1 4.12Å; F25-L29 HydrophobicContact CE1-CD1 3.67Å; F25-L29 HydrophobicContact CE1-CG 4.36Å; F25-L29 HydrophobicContact CE2-CD1 4.49Å; F25-L29 HydrophobicContact CE2-CD2 4.38Å; F25-L29 HydrophobicContact CE2-CG 4.34Å; F25-L29 HydrophobicContact CZ-CD1 3.88Å; F25-L29 HydrophobicContact CZ-CD2 4.28Å; F25-L29 HydrophobicContact CZ-CG 4.2Å; F25-L29 WeakPolarHBondContact O-CG 3.07Å; F25-L29 PolarHBondContact O-N 3.04Å; H26-L29 PolarHBondContact O-N 2.94Å; L29-D31 PolarHBondContact O-N 2.75Å; L29-S32 WeakPolarHBondContact O-CB 3.31Å; L29-S32 PolarHBondContact O-N 3.3Å; L29-G34 VanDerWaalsContact CD2-CA 3.49Å; L29-K67 PolarHBondContact O-NZ 2.94Å; L29-F137 HydrophobicContact CD1-CB 4.43Å; L29-K141 HydrophobicContact CB-CD 4.33Å; L29-K141 HydrophobicContact CD1-CD 3.87Å
30	G	98.6	Very high	98.4	Very high	25 Å²	25	40.2 Å²	40.2	26%	0.258	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-134	-171.8	0	0	0	0	0	110.2	H26 D27 S32 K141	H26-G30 PolarHBondContact O-N 3.24Å; D27-G30 PolarHBondContact O-N 2.83Å; G30-S32 VanDerWaalsContact C-N 3.33Å; G30-K141 WeakPolarHBondContact O-CE 3.2Å; G30-K141 PolarHBondContact O-NZ 2.79Å
31	D	98.4	Very high	98.3	Very high	138 Å²	138	39.1 Å²	39.1	74%	0.738	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	11.6	177.3	-57.2	-46.6	0	0	0	113.5	L29 P139	L29-D31 PolarHBondContact O-N 2.75Å; D31-P139 WeakPolarHBondContact O-CB 3.39Å
32	S	98.7	Very high	98.3	Very high	12 Å²	12	37.6 Å²	37.6	8%	0.084	18%	0.176	C	C	.	.	S	Bend	trans	-85.2	158.6	177.9	-56.9	0	0	0	0	111.8	L29 G30 N65 K67	L29-S32 WeakPolarHBondContact O-CB 3.31Å; L29-S32 PolarHBondContact O-N 3.3Å; G30-S32 VanDerWaalsContact C-N 3.33Å; S32-N65 WeakPolarHBondContact CB-O 3.27Å; S32-N65 WeakPolarHBondContact CB-OD1 3.44Å; S32-N65 PolarHBondContact OG-OD1 3.07Å; S32-K67 WeakPolarHBondContact OG-CE 3.36Å
33	W	98.9	Very high	98.2	Very high	27 Å²	27	34.3 Å²	34.3	10%	0.102	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	155.1	158.1	-72.4	77.4	0	0	0	109.8	N65 V66 K67 V136 F137 P139 K144 L167 Q168 A171	W33-N65 PolarHBondContact N-O 3.32Å; W33-V66 HydrophobicContact CB-CB 4.26Å; W33-V66 HydrophobicContact CB-CG1 4.23Å; W33-V66 HydrophobicContact CB-CG2 3.87Å; W33-V66 WeakPolarHBondContact O-CA 3.5Å; W33-K67 PolarHBondContact O-N 2.78Å; W33-V136 HydrophobicContact CE3-CG1 4.17Å; W33-V136 HydrophobicContact CZ3-CG1 4.41Å; W33-F137 WeakPolarHBondContact CA-O 3.46Å; W33-P139 HydrophobicContact CG-CG 4.35Å; W33-K144 HydrophobicContact CH2-CG 4.19Å; W33-K144 HydrophobicContact CZ3-CB 4.19Å; W33-K144 HydrophobicContact CZ3-CG 3.71Å; W33-L167 HydrophobicContact CH2-CB 3.88Å; W33-L167 HydrophobicContact CZ3-CB 3.93Å; W33-L167 HydrophobicContact CZ3-CD1 4.29Å; W33-Q168 VanDerWaalsContact CD1-NE2 3.28Å; W33-Q168 HydrophobicContact CD2-CG 4.29Å; W33-Q168 HydrophobicContact CZ2-CG 3.88Å; W33-A171 HydrophobicContact CZ2-CB 4.41Å
34	G	98.8	Very high	98.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.4	-179.3	0	0	0	0	0	112.6	L29 K67 V136 F137	L29-G34 VanDerWaalsContact CD2-CA 3.49Å; G34-K67 CarbonylContact C-O 3.52Å; G34-K67 WeakPolarHBondContact CA-O 3.37Å; G34-V136 CarbonylContact O-C 3.57Å; G34-V136 WeakPolarHBondContact O-CA 3.45Å; G34-F137 PolarHBondContact N-O 2.78Å; G34-F137 PolarHBondContact O-N 2.89Å
35	I	98.9	Very high	98	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	110.9	167.5	-59.4	173.7	0	0	0	108.2	F37 F61 V66 K67 L68 I69 V134 F135 V136 I160 V164	I35-F37 HydrophobicContact CG2-CD1 4.12Å; I35-F61 HydrophobicContact CD1-CD1 3.65Å; I35-F61 HydrophobicContact CD1-CE1 3.44Å; I35-F61 VanDerWaalsContact CD1-CE1 3.44Å; I35-F61 HydrophobicContact CD1-CZ 4.23Å; I35-V66 HydrophobicContact CD1-CG1 3.71Å; I35-V66 HydrophobicContact CG1-CG1 3.67Å; I35-K67 PolarHBondContact N-O 3Å; I35-L68 HydrophobicContact CB-CD2 3.93Å; I35-L68 HydrophobicContact CD1-CD2 4.04Å; I35-L68 HydrophobicContact CG2-CD2 4.13Å; I35-I69 WeakPolarHBondContact O-CG2 3.45Å; I35-I69 PolarHBondContact O-N 2.86Å; I35-V134 HydrophobicContact CG2-CG1 3.81Å; I35-F135 VanDerWaalsContact CA-O 3.32Å; I35-F135 WeakPolarHBondContact CA-O 3.35Å; I35-V136 HydrophobicContact CG1-CG1 4.41Å; I35-V136 HydrophobicContact CG1-CG2 4.33Å; I35-I160 HydrophobicContact CD1-CG2 3.91Å; I35-V164 HydrophobicContact CD1-CG2 3.85Å
36	L	98.9	Very high	97.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.5	168.5	-171	165.9	0	0	0	107.8	F14 F25 I69 L71 L114 M116 V134 F135 F137	F14-L36 HydrophobicContact CE1-CD1 4.12Å; F14-L36 HydrophobicContact CZ-CD1 4Å; F25-L36 HydrophobicContact CE2-CD1 4.07Å; F25-L36 HydrophobicContact CZ-CB 4.29Å; F25-L36 HydrophobicContact CZ-CD1 3.98Å; L36-I69 WeakPolarHBondContact CA-O 3.31Å; L36-I69 HydrophobicContact CB-CG2 4.1Å; L36-I69 HydrophobicContact CG-CG2 4.32Å; L36-L71 HydrophobicContact CD2-CB 4.41Å; L36-L114 HydrophobicContact CD1-CD1 4.07Å; L36-M116 HydrophobicContact CD2-SD 4.12Å; L36-V134 WeakPolarHBondContact O-CA 3.26Å; L36-F135 HydrophobicContact CD2-CD2 4.27Å; L36-F135 PolarHBondContact N-O 2.69Å; L36-F135 PolarHBondContact O-N 3.05Å; L36-F137 HydrophobicContact CB-CE2 4.06Å
37	F	98.7	Very high	97.8	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.2	178.8	62.2	-82.1	0	0	0	111.3	I35 L51 A54 L68 I69 A70 L71 F100 V133 V134 F157	I35-F37 HydrophobicContact CG2-CD1 4.12Å; F37-L51 HydrophobicContact CE2-CD1 4.11Å; F37-L51 HydrophobicContact CE2-CG 4.11Å; F37-A54 HydrophobicContact CE2-CB 4.42Å; F37-A54 HydrophobicContact CZ-CB 4.1Å; F37-L68 HydrophobicContact CD1-CD2 4.27Å; F37-L68 HydrophobicContact CE1-CB 4.14Å; F37-L68 HydrophobicContact CE1-CD2 3.86Å; F37-I69 VanDerWaalsContact CD1-O 3.25Å; F37-I69 WeakPolarHBondContact CD1-O 3.43Å; F37-I69 WeakPolarHBondContact CE1-O 3.3Å; F37-I69 PolarHBondContact N-O 2.86Å; F37-A70 HydrophobicContact CD2-CB 4.25Å; F37-A70 HydrophobicContact CE1-CB 4.24Å; F37-A70 HydrophobicContact CE2-CB 3.63Å; F37-A70 HydrophobicContact CZ-CB 3.64Å; F37-A70 CarbonylContact O-C 3.47Å; F37-A70 VanDerWaalsContact O-CA 3.25Å; F37-A70 WeakPolarHBondContact O-CA 3.49Å; F37-L71 PolarHBondContact O-N 2.96Å; F37-F100 HydrophobicContact CZ-CD2 4.1Å; F37-F100 HydrophobicContact CZ-CE1 4.49Å; F37-F100 AromaticContact CZ-CE2 3.83Å; F37-F100 HydrophobicContact CZ-CE2 3.83Å; F37-F100 HydrophobicContact CZ-CZ 4.05Å; F37-V133 CarbonylContact C-O 3.53Å; F37-V133 VanDerWaalsContact CA-O 3.26Å; F37-V133 WeakPolarHBondContact CA-O 3.45Å; F37-V134 HydrophobicContact CB-CG2 4.09Å; F37-F157 HydrophobicContact CD2-CZ 4.39Å; F37-F157 HydrophobicContact CE2-CZ 4.46Å
38	S	98.4	Very high	97.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	156.3	179	63.5	0	0	0	0	111.8	L71 A131 V133 R155	S38-L71 CarbonylContact C-O 3.49Å; S38-L71 WeakPolarHBondContact CA-O 3.42Å; S38-A131 PolarHBondContact OG-O 2.82Å; S38-V133 PolarHBondContact N-O 2.97Å; S38-V133 PolarHBondContact OG-N 2.82Å; S38-R155 PolarHBondContact O-NH1 3.14Å; S38-R155 PolarHBondContact O-NH2 3.03Å
39	H	97.6	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.			trans	-136.7	148.9	167.1	64.8	-84.4	0	0	0	110.4	R41 D42 C47 L51 L71 S72 W82 T130	H39-R41 PolarHBondContact O-N 2.93Å; H39-D42 IonicContact CD2-OD1 3.49Å; H39-D42 IonicContact CE1-OD1 3.69Å; H39-D42 IonicContact NE2-OD1 3.81Å; H39-D42 PolarHBondContact NE2-OD1 3.1Å; H39-C47 HydrophobicContact CB-CB 4.19Å; H39-L51 HydrophobicContact CB-CD1 4.32Å; H39-L71 PolarHBondContact N-O 2.99Å; H39-L71 PolarHBondContact ND1-O 2.97Å; H39-S72 VanDerWaalsContact CE1-CB 3.42Å; H39-S72 WeakPolarHBondContact CE1-CB 3.36Å; H39-S72 PolarHBondContact CE1-OG 3.06Å; H39-S72 VanDerWaalsContact NE2-CB 3.27Å; H39-S72 WeakPolarHBondContact NE2-CB 3.32Å; H39-S72 PolarHBondContact NE2-OG 2.8Å; H39-S72 VanDerWaalsContact O-CB 3.31Å; H39-S72 WeakPolarHBondContact O-CB 3.34Å; H39-W82 AromaticContact CD2-CH2 3.91Å; H39-W82 AromaticContact CD2-CZ3 3.94Å; H39-W82 AromaticContact CE1-CZ3 3.73Å; H39-W82 AromaticContact NE2-CH2 3.72Å; H39-W82 AromaticContact NE2-CZ3 3.26Å; H39-W82 VanDerWaalsContact NE2-CZ3 3.26Å; H39-W82 WeakPolarHBondContact NE2-CZ3 3.23Å; H39-T130 PolarHBondContact O-OG1 2.81Å
40	P	94.3	Very high	97.8	Very high	10 Å²	10	32.6 Å²	32.6	7%	0.065	18%	0.181	C	C	.	.	S	Bend	trans	-57.1	-49.4	-172.9	-28.1	30.9	0	0	0	115.8	V129 T130 R132 A151	P40-V129 HydrophobicContact CB-CG2 3.86Å; P40-T130 WeakPolarHBondContact CA-O 3.45Å; P40-T130 WeakPolarHBondContact CB-O 3.24Å; P40-T130 WeakPolarHBondContact CG-O 3.39Å; P40-R132 HydrophobicContact CG-CG 4.32Å; P40-A151 HydrophobicContact CB-CB 4.37Å; P40-A151 HydrophobicContact CG-CB 3.62Å
41	R	95.8	Very high	97.8	Very high	80 Å²	80	31.4 Å²	31.4	30%	0.302	17%	0.169	S	C	.	.			trans	-160.4	146.7	-176.1	-155.1	168.9	-175.8	-178.5	-11.5	111.7	H39 T44 C47 D74 E124	H39-R41 PolarHBondContact O-N 2.93Å; R41-T44 HydrophobicContact CB-CG2 3.98Å; R41-T44 PolarHBondContact O-OG1 3.28Å; R41-C47 PolarHBondContact O-SG 2.99Å; R41-D74 VanDerWaalsContact CA-OD2 3.25Å; R41-D74 WeakPolarHBondContact CA-OD2 3.37Å; R41-D74 WeakPolarHBondContact CG-OD1 3.38Å; R41-D74 VanDerWaalsContact CG-OD2 3.27Å; R41-D74 WeakPolarHBondContact CG-OD2 3.49Å; R41-D74 IonicContact NE-OD1 3.92Å; R41-D74 PolarHBondContact NE-OD1 2.82Å; R41-E124 IonicContact CZ-OE1 3.43Å; R41-E124 IonicContact NH1-OE1 3.08Å; R41-E124 PolarHBondContact NH1-OE1 3.47Å; R41-E124 VanDerWaalsContact NH1-OE1 3.08Å; R41-E124 IonicContact NH2-OE1 2.87Å; R41-E124 PolarHBondContact NH2-OE1 3.49Å
42	D	97.9	Very high	97.8	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	161.8	168.4	-69.3	17	0	0	0	110.7	H39 T44 S72 D74 H79 W82	H39-D42 IonicContact CD2-OD1 3.49Å; H39-D42 IonicContact CE1-OD1 3.69Å; H39-D42 IonicContact NE2-OD1 3.81Å; H39-D42 PolarHBondContact NE2-OD1 3.1Å; D42-T44 PolarHBondContact O-N 3.2Å; D42-S72 PolarHBondContact OD1-OG 3.23Å; D42-D74 HydrophobicContact CB-CB 4.24Å; D42-D74 PolarHBondContact N-OD2 3.32Å; D42-H79 IonicContact OD1-CE1 3.26Å; D42-H79 IonicContact OD1-ND1 3.71Å; D42-H79 PolarHBondContact OD1-ND1 3.27Å; D42-H79 VanDerWaalsContact OD2-CA 3.25Å; D42-H79 WeakPolarHBondContact OD2-CA 3.34Å; D42-H79 IonicContact OD2-CE1 2.72Å; D42-H79 IonicContact OD2-CG 3.71Å; D42-H79 PolarHBondContact OD2-N 3.36Å; D42-H79 IonicContact OD2-ND1 2.87Å; D42-H79 PolarHBondContact OD2-ND1 3.4Å; D42-W82 HydrophobicContact CB-CB 4.26Å; D42-W82 HydrophobicContact CB-CD2 3.91Å; D42-W82 HydrophobicContact CB-CE3 3.81Å; D42-W82 HydrophobicContact CB-CG 4.1Å; D42-W82 HydrophobicContact CB-CZ3 4.43Å; D42-W82 VanDerWaalsContact CG-CE3 3.4Å
43	F	97.6	Very high	97.8	Very high	106 Å²	106	29.3 Å²	29.3	47%	0.465	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	30.6	-179.7	-50.5	-77.6	0	0	0	114.7	D78 A81 W82	F43-D78 HydrophobicContact CE2-CB 4.1Å; F43-A81 HydrophobicContact CZ-CB 4.06Å; F43-W82 HydrophobicContact CD1-CB 4.03Å; F43-W82 AromaticContact CD1-CD1 3.48Å; F43-W82 VanDerWaalsContact CD1-CD1 3.48Å; F43-W82 HydrophobicContact CD1-CG 4.01Å; F43-W82 HydrophobicContact CD2-CB 4.45Å; F43-W82 HydrophobicContact CE1-CB 3.59Å; F43-W82 AromaticContact CE1-CD1 3.87Å; F43-W82 HydrophobicContact CE1-CG 4.07Å; F43-W82 HydrophobicContact CE2-CB 4.05Å; F43-W82 HydrophobicContact CG-CB 4.44Å; F43-W82 AromaticContact CG-CD1 3.94Å; F43-W82 HydrophobicContact CG-CG 4.3Å; F43-W82 HydrophobicContact CZ-CB 3.6Å; F43-W82 HydrophobicContact CZ-CG 4.41Å
44	T	95	Very high	97.8	Very high	39 Å²	39	28 Å²	28	24%	0.239	14%	0.144	C	C	.	.			trans	-118	144.7	176.2	62.2	0	0	0	0	111.8	R41 D42 V46 C47 T48	R41-T44 HydrophobicContact CB-CG2 3.98Å; R41-T44 PolarHBondContact O-OG1 3.28Å; D42-T44 PolarHBondContact O-N 3.2Å; T44-V46 PolarHBondContact O-N 3.36Å; T44-C47 PolarHBondContact O-N 2.96Å; T44-C47 VanDerWaalsContact OG1-CB 3.31Å; T44-C47 WeakPolarHBondContact OG1-CB 3.25Å; T44-C47 PolarHBondContact OG1-SG 2.91Å; T44-T48 PolarHBondContact O-N 3.22Å; T44-T48 PolarHBondContact O-OG1 2.82Å; T44-T48 VanDerWaalsContact O-OG1 3.08Å
45	P	96.7	Very high	97.8	Very high	107 Å²	107	28.5 Å²	28.5	70%	0.695	15%	0.147	S	C	*	.	H	α-helix	trans	-62	-49.3	-163.8	21.6	-33.7	0	0	0	113.4	C47 T48 T49	P45-C47 VanDerWaalsContact C-N 3.34Å; P45-C47 PolarHBondContact O-N 2.97Å; P45-T48 PolarHBondContact O-N 3.49Å; P45-T49 WeakPolarHBondContact O-CG2 3.32Å; P45-T49 PolarHBondContact O-N 2.66Å
46	V	97.1	Very high	97.8	Very high	48 Å²	48	32.9 Å²	32.9	29%	0.291	17%	0.166	S	C	.	.	H	α-helix	trans	-68	-35.7	-178.4	179.5	0	0	0	0	111.2	T44 T48 T49 E50 R132	T44-V46 PolarHBondContact O-N 3.36Å; V46-T48 VanDerWaalsContact C-N 3.32Å; V46-T48 PolarHBondContact O-N 2.71Å; V46-T49 PolarHBondContact O-N 3.24Å; V46-T49 PolarHBondContact O-OG1 2.89Å; V46-E50 HydrophobicContact CG1-CG 4.45Å; V46-E50 WeakPolarHBondContact O-CG 3.48Å; V46-E50 PolarHBondContact O-N 3.47Å; V46-R132 VanDerWaalsContact CG1-CZ 3.45Å
47	C	97.1	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-38.8	177.2	-57.4	0	0	0	0	111	H39 R41 T44 P45 T49 E50 L51 W82 R132	H39-C47 HydrophobicContact CB-CB 4.19Å; R41-C47 PolarHBondContact O-SG 2.99Å; T44-C47 PolarHBondContact O-N 2.96Å; T44-C47 VanDerWaalsContact OG1-CB 3.31Å; T44-C47 WeakPolarHBondContact OG1-CB 3.25Å; T44-C47 PolarHBondContact OG1-SG 2.91Å; P45-C47 VanDerWaalsContact C-N 3.34Å; P45-C47 PolarHBondContact O-N 2.97Å; C47-T49 PolarHBondContact O-N 3.36Å; C47-E50 PolarHBondContact O-N 2.88Å; C47-L51 WeakPolarHBondContact O-CD1 3.44Å; C47-L51 PolarHBondContact O-N 2.89Å; C47-W82 HydrophobicContact CB-CH2 3.72Å; C47-W82 HydrophobicContact CB-CZ2 3.84Å; C47-R132 PolarHBondContact SG-NH1 2.72Å; C47-R132 PolarHBondContact SG-NH2 2.7Å
48	T	98.6	Very high	97.8	Very high	21 Å²	21	34 Å²	34	13%	0.129	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-42.9	178.1	-56.3	0	0	0	0	110.8	T44 P45 V46 G52 W82 I86 Y89	T44-T48 PolarHBondContact O-N 3.22Å; T44-T48 PolarHBondContact O-OG1 2.82Å; T44-T48 VanDerWaalsContact O-OG1 3.08Å; P45-T48 PolarHBondContact O-N 3.49Å; V46-T48 VanDerWaalsContact C-N 3.32Å; V46-T48 PolarHBondContact O-N 2.71Å; T48-G52 PolarHBondContact O-N 2.99Å; T48-W82 WeakPolarHBondContact OG1-CZ2 3.27Å; T48-W82 PolarHBondContact OG1-NE1 3.5Å; T48-W82 VanDerWaalsContact OG1-NE1 3.13Å; T48-I86 HydrophobicContact CG2-CG1 4.33Å; T48-Y89 HydrophobicContact CG2-CG 4.1Å
49	T	98.7	Very high	97.8	Very high	58 Å²	58	38 Å²	38	36%	0.356	20%	0.2	S	C	.	.	H	α-helix	trans	-66.3	-38.8	177.7	67.1	0	0	0	0	112.2	P45 V46 C47 R53 Y89	P45-T49 WeakPolarHBondContact O-CG2 3.32Å; P45-T49 PolarHBondContact O-N 2.66Å; V46-T49 PolarHBondContact O-N 3.24Å; V46-T49 PolarHBondContact O-OG1 2.89Å; C47-T49 PolarHBondContact O-N 3.36Å; T49-R53 WeakPolarHBondContact O-CB 3.43Å; T49-R53 PolarHBondContact O-N 2.92Å; T49-Y89 HydrophobicContact CG2-CE1 4.49Å; T49-Y89 HydrophobicContact CG2-CE2 3.97Å; T49-Y89 WeakPolarHBondContact CG2-OH 3.41Å
50	E	98.6	Very high	97.8	Very high	6 Å²	6	41 Å²	41	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-51.7	178.3	-76	-175.2	143.6	0	0	112.8	V46 C47 G52 R53 A54 R132 R155 F157	V46-E50 HydrophobicContact CG1-CG 4.45Å; V46-E50 WeakPolarHBondContact O-CG 3.48Å; V46-E50 PolarHBondContact O-N 3.47Å; C47-E50 PolarHBondContact O-N 2.88Å; E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 3.38Å; E50-R53 PolarHBondContact O-N 3.13Å; E50-A54 WeakPolarHBondContact O-CB 3.48Å; E50-A54 PolarHBondContact O-N 3.22Å; E50-R132 IonicContact OE1-NH1 3.99Å; E50-R132 IonicContact OE2-CZ 3.69Å; E50-R132 IonicContact OE2-NH1 2.66Å; E50-R132 PolarHBondContact OE2-NH1 2.87Å; E50-R155 WeakPolarHBondContact OE1-CB 3.3Å; E50-R155 WeakPolarHBondContact OE1-CG 3.48Å; E50-R155 IonicContact OE1-CZ 2.74Å; E50-R155 PolarHBondContact OE1-N 3.31Å; E50-R155 IonicContact OE1-NE 3.69Å; E50-R155 PolarHBondContact OE1-NE 2.9Å; E50-R155 IonicContact OE1-NH2 3.7Å; E50-R155 IonicContact OE2-CZ 2.8Å; E50-R155 IonicContact OE2-NE 3.91Å; E50-R155 PolarHBondContact OE2-NE 3.44Å; E50-R155 IonicContact OE2-NH2 3.67Å; E50-R155 PolarHBondContact OE2-NH2 3.26Å; E50-F157 HydrophobicContact CB-CE2 3.96Å; E50-F157 HydrophobicContact CG-CE2 4.19Å
51	L	98.7	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.6	-31.4	179.3	-85.5	72.4	0	0	0	111.3	F37 H39 C47 A54 A55 A70 W82 I86 F100 I102	F37-L51 HydrophobicContact CE2-CD1 4.11Å; F37-L51 HydrophobicContact CE2-CG 4.11Å; H39-L51 HydrophobicContact CB-CD1 4.32Å; C47-L51 WeakPolarHBondContact O-CD1 3.44Å; C47-L51 PolarHBondContact O-N 2.89Å; L51-A54 PolarHBondContact O-N 3.39Å; L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 3.3Å; L51-A70 HydrophobicContact CD2-CB 4.31Å; L51-W82 HydrophobicContact CB-CH2 4.41Å; L51-W82 HydrophobicContact CD1-CH2 4.06Å; L51-W82 HydrophobicContact CD2-CE3 4.44Å; L51-W82 HydrophobicContact CD2-CH2 3.7Å; L51-W82 HydrophobicContact CD2-CZ3 3.44Å; L51-W82 VanDerWaalsContact CD2-CZ3 3.44Å; L51-W82 HydrophobicContact CG-CH2 4.26Å; L51-W82 HydrophobicContact CG-CZ3 4.45Å; L51-I86 HydrophobicContact CB-CD1 3.78Å; L51-I86 HydrophobicContact CB-CG1 4.32Å; L51-I86 HydrophobicContact CB-CG2 4.29Å; L51-I86 HydrophobicContact CD2-CD1 3.78Å; L51-I86 HydrophobicContact CG-CD1 4.45Å; L51-F100 HydrophobicContact CB-CZ 4.5Å; L51-F100 HydrophobicContact CD2-CE2 4.32Å; L51-F100 HydrophobicContact CG-CE2 4.37Å; L51-F100 HydrophobicContact CG-CZ 4.46Å; L51-I102 HydrophobicContact CD2-CD1 3.82Å; L51-I102 HydrophobicContact CD2-CG1 4.48Å
52	G	98.7	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-49.1	169	0	0	0	0	0	112	T48 E50 A55 K56 N90	T48-G52 PolarHBondContact O-N 2.99Å; E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 3.38Å; G52-A55 PolarHBondContact O-N 3.01Å; G52-K56 PolarHBondContact O-N 3.26Å; G52-K56 VanDerWaalsContact O-N 3.09Å; G52-N90 VanDerWaalsContact CA-ND2 3.34Å; G52-N90 WeakPolarHBondContact CA-ND2 3.29Å; G52-N90 PolarHBondContact O-ND2 3.48Å; G52-N90 PolarHBondContact O-OD1 2.92Å
53	R	98.8	Very high	98.2	Very high	106 Å²	106	45.9 Å²	45.9	40%	0.4	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-41.3	176.3	-178.8	57.1	176.3	168.2	0.2	112.3	T49 E50 A55 K56 L57 F157 D158	T49-R53 WeakPolarHBondContact O-CB 3.43Å; T49-R53 PolarHBondContact O-N 2.92Å; E50-R53 PolarHBondContact O-N 3.13Å; R53-A55 VanDerWaalsContact C-N 3.3Å; R53-A55 PolarHBondContact O-N 2.99Å; R53-K56 PolarHBondContact O-N 2.84Å; R53-L57 HydrophobicContact CG-CD1 4.11Å; R53-L57 WeakPolarHBondContact O-CB 3.36Å; R53-L57 PolarHBondContact O-N 2.91Å; R53-F157 HydrophobicContact CG-CB 3.86Å; R53-F157 HydrophobicContact CG-CD2 4.37Å; R53-F157 HydrophobicContact CG-CG 4.2Å; R53-D158 IonicContact CZ-OD1 2.73Å; R53-D158 IonicContact NE-OD1 2.66Å; R53-D158 IonicContact NH2-OD1 3.66Å; R53-D158 PolarHBondContact NH2-OD1 3.35Å; R53-D158 IonicContact NH2-OD2 3.48Å
54	A	98.8	Very high	98.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-42.4	175.3	0	0	0	0	0	111.2	F37 E50 L51 L57 A58 F100 F157	F37-A54 HydrophobicContact CE2-CB 4.42Å; F37-A54 HydrophobicContact CZ-CB 4.1Å; E50-A54 WeakPolarHBondContact O-CB 3.48Å; E50-A54 PolarHBondContact O-N 3.22Å; L51-A54 PolarHBondContact O-N 3.39Å; A54-L57 CarbonylContact O-C 3.53Å; A54-L57 PolarHBondContact O-N 2.95Å; A54-A58 PolarHBondContact O-N 3.31Å; A54-F100 HydrophobicContact CB-CE1 3.71Å; A54-F100 HydrophobicContact CB-CZ 3.81Å; A54-F157 HydrophobicContact CB-CD1 4.16Å; A54-F157 HydrophobicContact CB-CE1 3.5Å; A54-F157 VanDerWaalsContact CB-CE1 3.5Å; A54-F157 HydrophobicContact CB-CZ 3.85Å
55	A	98.8	Very high	98.5	Very high	10 Å²	10	45.2 Å²	45.2	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-45.6	179	0	0	0	0	0	111.6	L51 G52 R53 L57 A58 L98 P99 F100	L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 3.3Å; G52-A55 PolarHBondContact O-N 3.01Å; R53-A55 VanDerWaalsContact C-N 3.3Å; R53-A55 PolarHBondContact O-N 2.99Å; A55-L57 VanDerWaalsContact C-N 3.27Å; A55-L57 PolarHBondContact O-N 3.47Å; A55-A58 WeakPolarHBondContact O-CB 3.34Å; A55-A58 PolarHBondContact O-N 3.42Å; A55-L98 HydrophobicContact CB-CD2 4.36Å; A55-P99 HydrophobicContact CB-CG 3.95Å; A55-F100 HydrophobicContact CB-CE1 4.15Å; A55-F100 HydrophobicContact CB-CZ 4.45Å
56	K	98.7	Very high	98.6	Very high	94 Å²	94	40.4 Å²	40.4	41%	0.409	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-33.6	174.9	-68.7	-61.1	-166.3	-167.1	0	113.1	G52 R53 N90 E92	G52-K56 PolarHBondContact O-N 3.26Å; G52-K56 VanDerWaalsContact O-N 3.09Å; R53-K56 PolarHBondContact O-N 2.84Å; K56-N90 PolarHBondContact NZ-O 3.41Å; K56-E92 WeakPolarHBondContact CE-OE1 3.44Å; K56-E92 IonicContact NZ-OE1 2.66Å; K56-E92 PolarHBondContact NZ-OE1 3.17Å
57	L	98.7	Very high	98.7	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-89	-7.8	179.3	-74.9	177.1	0	0	0	114	R53 A54 A55 P59 E60 F61 F157	R53-L57 HydrophobicContact CG-CD1 4.11Å; R53-L57 WeakPolarHBondContact O-CB 3.36Å; R53-L57 PolarHBondContact O-N 2.91Å; A54-L57 CarbonylContact O-C 3.53Å; A54-L57 PolarHBondContact O-N 2.95Å; A55-L57 VanDerWaalsContact C-N 3.27Å; A55-L57 PolarHBondContact O-N 3.47Å; L57-P59 VanDerWaalsContact C-N 3.28Å; L57-P59 VanDerWaalsContact O-N 3.16Å; L57-E60 HydrophobicContact CD2-CB 4.47Å; L57-E60 HydrophobicContact CD2-CG 4.15Å; L57-E60 WeakPolarHBondContact O-CA 3.5Å; L57-E60 VanDerWaalsContact O-CB 3.3Å; L57-E60 WeakPolarHBondContact O-CB 3.4Å; L57-E60 PolarHBondContact O-N 2.7Å; L57-F61 HydrophobicContact CB-CD2 4.14Å; L57-F61 HydrophobicContact CB-CE2 3.82Å; L57-F61 HydrophobicContact CD1-CE2 4.49Å; L57-F61 VanDerWaalsContact O-CD2 3.29Å; L57-F61 WeakPolarHBondContact O-CD2 3.42Å; L57-F61 PolarHBondContact O-N 3.39Å; L57-F157 HydrophobicContact CD1-CB 3.71Å
58	A	98.8	Very high	98.7	Very high	11 Å²	11	42.1 Å²	42.1	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-52.4	-38.3	-178.5	0	0	0	0	0	113.8	A54 A55 E60 F61 A62 L68 P99	A54-A58 PolarHBondContact O-N 3.31Å; A55-A58 WeakPolarHBondContact O-CB 3.34Å; A55-A58 PolarHBondContact O-N 3.42Å; A58-E60 VanDerWaalsContact C-N 3.3Å; A58-E60 PolarHBondContact O-N 2.94Å; A58-F61 PolarHBondContact O-N 2.87Å; A58-A62 WeakPolarHBondContact O-CB 3.37Å; A58-A62 PolarHBondContact O-N 2.89Å; A58-L68 HydrophobicContact CB-CD1 4.03Å; A58-P99 HydrophobicContact CB-CB 3.59Å; A58-P99 HydrophobicContact CB-CG 3.46Å; A58-P99 VanDerWaalsContact CB-CG 3.46Å
59	P	98.8	Very high	98.8	Very high	86 Å²	86	41.1 Å²	41.1	56%	0.558	21%	0.211	S	C	*	.	H	α-helix	trans	-60.6	-34.9	173.2	-24.9	35.9	0	0	0	114.1	L57 A62 K63	L57-P59 VanDerWaalsContact C-N 3.28Å; L57-P59 VanDerWaalsContact O-N 3.16Å; P59-A62 PolarHBondContact O-N 2.76Å; P59-K63 WeakPolarHBondContact O-CG 3.48Å; P59-K63 PolarHBondContact O-N 2.85Å
60	E	98.8	Very high	98.8	Very high	61 Å²	61	38.4 Å²	38.4	29%	0.285	19%	0.194	S	C	.	.	H	α-helix	trans	-69	-33.8	177.7	-71.1	-64.2	124.4	0	0	112.5	L57 A58 K63 R64 L161	L57-E60 HydrophobicContact CD2-CB 4.47Å; L57-E60 HydrophobicContact CD2-CG 4.15Å; L57-E60 WeakPolarHBondContact O-CA 3.5Å; L57-E60 VanDerWaalsContact O-CB 3.3Å; L57-E60 WeakPolarHBondContact O-CB 3.4Å; L57-E60 PolarHBondContact O-N 2.7Å; A58-E60 VanDerWaalsContact C-N 3.3Å; A58-E60 PolarHBondContact O-N 2.94Å; E60-K63 VanDerWaalsContact CD-CE 3.42Å; E60-K63 WeakPolarHBondContact O-CG 3.42Å; E60-K63 WeakPolarHBondContact OE1-CE 3.37Å; E60-K63 IonicContact OE1-NZ 2.66Å; E60-K63 PolarHBondContact OE1-NZ 2.8Å; E60-K63 WeakPolarHBondContact OE2-CE 3.24Å; E60-K63 IonicContact OE2-NZ 2.97Å; E60-K63 PolarHBondContact OE2-NZ 2.89Å; E60-R64 PolarHBondContact O-NH1 2.89Å; E60-R64 IonicContact OE2-CZ 3.5Å; E60-R64 IonicContact OE2-NH1 3.79Å; E60-R64 PolarHBondContact OE2-NH1 3.47Å; E60-R64 IonicContact OE2-NH2 2.75Å; E60-L161 HydrophobicContact CB-CD1 4.32Å; E60-L161 HydrophobicContact CB-CD2 4.01Å; E60-L161 HydrophobicContact CG-CD2 4.4Å
61	F	98.9	Very high	98.8	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-75.9	-44.9	173.4	-70.8	-72.4	0	0	0	111.2	I35 L57 A58 K63 R64 N65 V66 L68 I160 L161 V164	I35-F61 HydrophobicContact CD1-CD1 3.65Å; I35-F61 HydrophobicContact CD1-CE1 3.44Å; I35-F61 VanDerWaalsContact CD1-CE1 3.44Å; I35-F61 HydrophobicContact CD1-CZ 4.23Å; L57-F61 HydrophobicContact CB-CD2 4.14Å; L57-F61 HydrophobicContact CB-CE2 3.82Å; L57-F61 HydrophobicContact CD1-CE2 4.49Å; L57-F61 VanDerWaalsContact O-CD2 3.29Å; L57-F61 WeakPolarHBondContact O-CD2 3.42Å; L57-F61 PolarHBondContact O-N 3.39Å; A58-F61 PolarHBondContact O-N 2.87Å; F61-K63 PolarHBondContact O-N 2.79Å; F61-R64 CarbonylContact O-C 3.48Å; F61-R64 WeakPolarHBondContact O-CA 3.4Å; F61-R64 WeakPolarHBondContact O-CB 3.47Å; F61-R64 PolarHBondContact O-N 3.07Å; F61-N65 PolarHBondContact O-N 3.37Å; F61-V66 CarbonylContact C-O 3.54Å; F61-V66 HydrophobicContact CB-CB 4.04Å; F61-V66 HydrophobicContact CB-CG1 4.43Å; F61-V66 HydrophobicContact CD1-CB 4.32Å; F61-V66 HydrophobicContact CD1-CG1 4.15Å; F61-V66 WeakPolarHBondContact O-CB 3.1Å; F61-V66 PolarHBondContact O-N 3.43Å; F61-L68 HydrophobicContact CB-CD1 4.3Å; F61-L68 HydrophobicContact CB-CG 4.32Å; F61-L68 HydrophobicContact CD2-CD1 3.69Å; F61-L68 HydrophobicContact CD2-CD2 4.22Å; F61-L68 HydrophobicContact CD2-CG 4.2Å; F61-L68 HydrophobicContact CE2-CD1 4.33Å; F61-L68 HydrophobicContact CE2-CD2 4.4Å; F61-L68 HydrophobicContact CG-CD1 4.19Å; F61-L68 HydrophobicContact CG-CD2 4.36Å; F61-L68 HydrophobicContact CG-CG 4.26Å; F61-I160 HydrophobicContact CE1-CG2 4.18Å; F61-I160 HydrophobicContact CZ-CG2 4.06Å; F61-L161 HydrophobicContact CD1-CD1 4.09Å; F61-L161 HydrophobicContact CE1-CB 4.23Å; F61-L161 HydrophobicContact CE1-CD1 3.87Å; F61-L161 HydrophobicContact CZ-CB 4.03Å; F61-L161 HydrophobicContact CZ-CD1 4.23Å; F61-V164 HydrophobicContact CE1-CG2 4.18Å
62	A	98.7	Very high	98.7	Very high	67 Å²	67	38.1 Å²	38.1	55%	0.554	19%	0.193	S	C	*	.	H	α-helix	trans	-59.7	-43.9	-179.8	0	0	0	0	0	112.3	A58 P59 R64 N65	A58-A62 WeakPolarHBondContact O-CB 3.37Å; A58-A62 PolarHBondContact O-N 2.89Å; P59-A62 PolarHBondContact O-N 2.76Å; A62-R64 PolarHBondContact O-N 2.89Å; A62-R64 VanDerWaalsContact O-N 3.09Å; A62-N65 PolarHBondContact O-N 2.94Å
63	K	98.6	Very high	98.6	Very high	129 Å²	129	38.7 Å²	38.7	56%	0.561	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.3	177.1	76.4	-178.9	-173.5	-171.8	0	113.9	P59 E60 F61	P59-K63 WeakPolarHBondContact O-CG 3.48Å; P59-K63 PolarHBondContact O-N 2.85Å; E60-K63 VanDerWaalsContact CD-CE 3.42Å; E60-K63 WeakPolarHBondContact O-CG 3.42Å; E60-K63 WeakPolarHBondContact OE1-CE 3.37Å; E60-K63 IonicContact OE1-NZ 2.66Å; E60-K63 PolarHBondContact OE1-NZ 2.8Å; E60-K63 WeakPolarHBondContact OE2-CE 3.24Å; E60-K63 IonicContact OE2-NZ 2.97Å; E60-K63 PolarHBondContact OE2-NZ 2.89Å; F61-K63 PolarHBondContact O-N 2.79Å
64	R	98.6	Very high	98.5	Very high	48 Å²	48	34.4 Å²	34.4	18%	0.181	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	14.8	174.9	-67.2	176.9	176.4	87.7	-4.1	112.2	E60 F61 A62 V66 Q168	E60-R64 PolarHBondContact O-NH1 2.89Å; E60-R64 IonicContact OE2-CZ 3.5Å; E60-R64 IonicContact OE2-NH1 3.79Å; E60-R64 PolarHBondContact OE2-NH1 3.47Å; E60-R64 IonicContact OE2-NH2 2.75Å; F61-R64 CarbonylContact O-C 3.48Å; F61-R64 WeakPolarHBondContact O-CA 3.4Å; F61-R64 WeakPolarHBondContact O-CB 3.47Å; F61-R64 PolarHBondContact O-N 3.07Å; A62-R64 PolarHBondContact O-N 2.89Å; A62-R64 VanDerWaalsContact O-N 3.09Å; R64-V66 VanDerWaalsContact C-N 3.28Å; R64-V66 HydrophobicContact CB-CG2 4.03Å; R64-V66 PolarHBondContact O-N 3.09Å; R64-Q168 PolarHBondContact O-NE2 3.02Å
65	N	98.8	Very high	98.4	Very high	83 Å²	83	35.4 Å²	35.4	44%	0.444	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	42.4	-176.1	-171	32.1	0	0	0	112.6	S32 W33 F61 A62	S32-N65 WeakPolarHBondContact CB-O 3.27Å; S32-N65 WeakPolarHBondContact CB-OD1 3.44Å; S32-N65 PolarHBondContact OG-OD1 3.07Å; W33-N65 PolarHBondContact N-O 3.32Å; F61-N65 PolarHBondContact O-N 3.37Å; A62-N65 PolarHBondContact O-N 2.94Å
66	V	98.9	Very high	98.4	Very high	7 Å²	7	36 Å²	36	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.5	176.3	-172.7	0	0	0	0	109.7	W33 I35 F61 R64 V164	W33-V66 HydrophobicContact CB-CB 4.26Å; W33-V66 HydrophobicContact CB-CG1 4.23Å; W33-V66 HydrophobicContact CB-CG2 3.87Å; W33-V66 WeakPolarHBondContact O-CA 3.5Å; I35-V66 HydrophobicContact CD1-CG1 3.71Å; I35-V66 HydrophobicContact CG1-CG1 3.67Å; F61-V66 CarbonylContact C-O 3.54Å; F61-V66 HydrophobicContact CB-CB 4.04Å; F61-V66 HydrophobicContact CB-CG1 4.43Å; F61-V66 HydrophobicContact CD1-CB 4.32Å; F61-V66 HydrophobicContact CD1-CG1 4.15Å; F61-V66 WeakPolarHBondContact O-CB 3.1Å; F61-V66 PolarHBondContact O-N 3.43Å; R64-V66 VanDerWaalsContact C-N 3.28Å; R64-V66 HydrophobicContact CB-CG2 4.03Å; R64-V66 PolarHBondContact O-N 3.09Å; V66-V164 HydrophobicContact CG2-CG1 3.72Å
67	K	98.9	Very high	98.4	Very high	73 Å²	73	37.8 Å²	37.8	32%	0.317	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.2	172.3	-69.7	175.8	179.3	165.6	0	110.2	F28 L29 S32 W33 G34 I35	F28-K67 HydrophobicContact CE1-CB 4.12Å; F28-K67 HydrophobicContact CZ-CB 4.1Å; F28-K67 HydrophobicContact CZ-CD 4.46Å; F28-K67 VanDerWaalsContact O-CD 3.23Å; F28-K67 WeakPolarHBondContact O-CD 3.44Å; F28-K67 PolarHBondContact O-NZ 3.14Å; L29-K67 PolarHBondContact O-NZ 2.94Å; S32-K67 WeakPolarHBondContact OG-CE 3.36Å; W33-K67 PolarHBondContact O-N 2.78Å; G34-K67 CarbonylContact C-O 3.52Å; G34-K67 WeakPolarHBondContact CA-O 3.37Å; I35-K67 PolarHBondContact N-O 3Å
68	L	98.9	Very high	98.4	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.058	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.9	172.1	-74.5	168.9	0	0	0	109.8	I35 F37 A58 F61 F100	I35-L68 HydrophobicContact CB-CD2 3.93Å; I35-L68 HydrophobicContact CD1-CD2 4.04Å; I35-L68 HydrophobicContact CG2-CD2 4.13Å; F37-L68 HydrophobicContact CD1-CD2 4.27Å; F37-L68 HydrophobicContact CE1-CB 4.14Å; F37-L68 HydrophobicContact CE1-CD2 3.86Å; A58-L68 HydrophobicContact CB-CD1 4.03Å; F61-L68 HydrophobicContact CB-CD1 4.3Å; F61-L68 HydrophobicContact CB-CG 4.32Å; F61-L68 HydrophobicContact CD2-CD1 3.69Å; F61-L68 HydrophobicContact CD2-CD2 4.22Å; F61-L68 HydrophobicContact CD2-CG 4.2Å; F61-L68 HydrophobicContact CE2-CD1 4.33Å; F61-L68 HydrophobicContact CE2-CD2 4.4Å; F61-L68 HydrophobicContact CG-CD1 4.19Å; F61-L68 HydrophobicContact CG-CD2 4.36Å; F61-L68 HydrophobicContact CG-CG 4.26Å; L68-F100 HydrophobicContact CB-CB 3.7Å; L68-F100 HydrophobicContact CB-CD1 3.95Å; L68-F100 HydrophobicContact CB-CG 4.01Å; L68-F100 HydrophobicContact CD1-CD1 3.93Å; L68-F100 HydrophobicContact CD1-CE1 4.4Å; L68-F100 VanDerWaalsContact O-CB 3.23Å; L68-F100 WeakPolarHBondContact O-CB 3.27Å
69	I	98.9	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	126.4	170.3	-178.1	159.1	0	0	0	110.1	I23 F25 F28 I35 L36 F37 P101 I103	I23-I69 HydrophobicContact CD1-CD1 3.43Å; I23-I69 VanDerWaalsContact CD1-CD1 3.43Å; F25-I69 HydrophobicContact CE2-CG2 4.01Å; F28-I69 HydrophobicContact CD1-CD1 4.12Å; F28-I69 HydrophobicContact CE1-CB 3.84Å; F28-I69 HydrophobicContact CE1-CD1 3.88Å; F28-I69 HydrophobicContact CE1-CG1 4.48Å; F28-I69 HydrophobicContact CE1-CG2 3.91Å; F28-I69 HydrophobicContact CZ-CB 4.02Å; F28-I69 HydrophobicContact CZ-CD1 4.13Å; I35-I69 WeakPolarHBondContact O-CG2 3.45Å; I35-I69 PolarHBondContact O-N 2.86Å; L36-I69 WeakPolarHBondContact CA-O 3.31Å; L36-I69 HydrophobicContact CB-CG2 4.1Å; L36-I69 HydrophobicContact CG-CG2 4.32Å; F37-I69 VanDerWaalsContact CD1-O 3.25Å; F37-I69 WeakPolarHBondContact CD1-O 3.43Å; F37-I69 WeakPolarHBondContact CE1-O 3.3Å; F37-I69 PolarHBondContact N-O 2.86Å; I69-P101 HydrophobicContact CB-CG 4.28Å; I69-P101 HydrophobicContact CD1-CG 3.82Å; I69-P101 HydrophobicContact CG1-CG 3.88Å; I69-I103 HydrophobicContact CD1-CD1 3.55Å; I69-I103 HydrophobicContact CD1-CG1 3.67Å; I69-I103 HydrophobicContact CG1-CD1 3.64Å; I69-I103 HydrophobicContact CG1-CG1 3.77Å
70	A	98.9	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	162.1	179.2	0	0	0	0	0	111	F37 L51 F100 P101 I102 I103	F37-A70 HydrophobicContact CD2-CB 4.25Å; F37-A70 HydrophobicContact CE1-CB 4.24Å; F37-A70 HydrophobicContact CE2-CB 3.63Å; F37-A70 HydrophobicContact CZ-CB 3.64Å; F37-A70 CarbonylContact O-C 3.47Å; F37-A70 VanDerWaalsContact O-CA 3.25Å; F37-A70 WeakPolarHBondContact O-CA 3.49Å; L51-A70 HydrophobicContact CD2-CB 4.31Å; A70-F100 HydrophobicContact CB-CD2 4.23Å; A70-F100 HydrophobicContact CB-CE2 4.18Å; A70-P101 PolarHBondContact N-O 2.76Å; A70-I102 HydrophobicContact CB-CB 4.31Å; A70-I102 HydrophobicContact CB-CG1 4.08Å; A70-I102 HydrophobicContact CB-CG2 4.08Å; A70-I103 WeakPolarHBondContact O-CB 3.27Å; A70-I103 WeakPolarHBondContact O-CG1 3.43Å; A70-I103 PolarHBondContact O-N 2.89Å
71	L	98.7	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	135.8	175.3	-177.9	151.8	0	0	0	111	L36 F37 S38 H39 I103 D105 L110 M116 T130	L36-L71 HydrophobicContact CD2-CB 4.41Å; F37-L71 PolarHBondContact O-N 2.96Å; S38-L71 CarbonylContact C-O 3.49Å; S38-L71 WeakPolarHBondContact CA-O 3.42Å; H39-L71 PolarHBondContact N-O 2.99Å; H39-L71 PolarHBondContact ND1-O 2.97Å; L71-I103 HydrophobicContact CB-CB 4.07Å; L71-I103 HydrophobicContact CB-CD1 4.31Å; L71-I103 HydrophobicContact CD1-CB 4.08Å; L71-I103 HydrophobicContact CD1-CD1 4.02Å; L71-I103 HydrophobicContact CD1-CG2 3.91Å; L71-I103 HydrophobicContact CG-CB 4.02Å; L71-I103 HydrophobicContact CG-CG2 4.19Å; L71-D105 HydrophobicContact CD1-CB 4.25Å; L71-D105 HydrophobicContact CD2-CB 4Å; L71-D105 HydrophobicContact CG-CB 4.13Å; L71-L110 HydrophobicContact CD1-CB 3.94Å; L71-L110 HydrophobicContact CD1-CD1 3.76Å; L71-M116 HydrophobicContact CD1-CE 4.04Å; L71-M116 HydrophobicContact CD2-CE 3.9Å; L71-T130 HydrophobicContact CD2-CG2 3.99Å
72	S	97.7	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	175.7	162.8	63.6	0	0	0	0	110.9	H39 D42 D74 H79 I103 D105	H39-S72 VanDerWaalsContact CE1-CB 3.42Å; H39-S72 WeakPolarHBondContact CE1-CB 3.36Å; H39-S72 PolarHBondContact CE1-OG 3.06Å; H39-S72 VanDerWaalsContact NE2-CB 3.27Å; H39-S72 WeakPolarHBondContact NE2-CB 3.32Å; H39-S72 PolarHBondContact NE2-OG 2.8Å; H39-S72 VanDerWaalsContact O-CB 3.31Å; H39-S72 WeakPolarHBondContact O-CB 3.34Å; D42-S72 PolarHBondContact OD1-OG 3.23Å; S72-D74 PolarHBondContact O-N 3.46Å; S72-D74 PolarHBondContact OG-OD2 3.31Å; S72-H79 PolarHBondContact OG-CE1 2.88Å; S72-I103 PolarHBondContact N-O 2.92Å; S72-D105 WeakPolarHBondContact O-CB 3.5Å; S72-D105 PolarHBondContact O-N 2.72Å
73	I	95.8	Very high	98.4	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.062	17%	0.171	C	C	.	.	S	Bend	trans	-86.9	10.5	179	59.6	149	0	0	0	112.9	K106 R108 V129 T130	I73-K106 WeakPolarHBondContact O-CA 3.38Å; I73-R108 HydrophobicContact CG2-CG 3.76Å; I73-V129 HydrophobicContact CD1-CB 3.8Å; I73-V129 HydrophobicContact CD1-CG1 3.49Å; I73-V129 VanDerWaalsContact CD1-CG1 3.49Å; I73-V129 HydrophobicContact CG1-CB 4.35Å; I73-V129 HydrophobicContact CG1-CG1 4.46Å; I73-T130 HydrophobicContact CG2-CG2 4.13Å
74	D	96.9	Very high	98.4	Very high	16 Å²	16	31.4 Å²	31.4	9%	0.086	16%	0.161	C	C	.	.	S	Bend	trans	-90.6	173.3	177	-58.1	-74.9	0	0	0	111	R41 D42 S72 D78 H79	R41-D74 VanDerWaalsContact CA-OD2 3.25Å; R41-D74 WeakPolarHBondContact CA-OD2 3.37Å; R41-D74 WeakPolarHBondContact CG-OD1 3.38Å; R41-D74 VanDerWaalsContact CG-OD2 3.27Å; R41-D74 WeakPolarHBondContact CG-OD2 3.49Å; R41-D74 IonicContact NE-OD1 3.92Å; R41-D74 PolarHBondContact NE-OD1 2.82Å; D42-D74 HydrophobicContact CB-CB 4.24Å; D42-D74 PolarHBondContact N-OD2 3.32Å; S72-D74 PolarHBondContact O-N 3.46Å; S72-D74 PolarHBondContact OG-OD2 3.31Å; D74-D78 HydrophobicContact CB-CB 4.14Å; D74-H79 PolarHBondContact O-CE1 3.25Å; D74-H79 PolarHBondContact O-NE2 3.15Å
75	S	97.6	Very high	98.4	Very high	22 Å²	22	33 Å²	33	15%	0.154	17%	0.173	C	C	.	.			trans	-82.6	159.2	-177.4	69.4	0	0	0	0	112.8	E77 D78 H79	S75-E77 WeakPolarHBondContact CB-OE2 3.5Å; S75-E77 PolarHBondContact O-N 3.43Å; S75-D78 PolarHBondContact N-OD2 2.73Å; S75-D78 PolarHBondContact O-N 2.87Å; S75-D78 VanDerWaalsContact O-N 3.13Å; S75-D78 PolarHBondContact OG-N 3.31Å; S75-D78 VanDerWaalsContact OG-N 3.13Å; S75-D78 PolarHBondContact OG-OD2 3.1Å; S75-H79 PolarHBondContact O-CD2 3.33Å; S75-H79 PolarHBondContact O-N 2.98Å; S75-H79 PolarHBondContact O-ND1 3.05Å
76	V	98.3	Very high	98.4	Very high	23 Å²	23	29.1 Å²	29.1	14%	0.139	15%	0.152	C	C	.	.	H	α-helix	trans	-56.3	-37.3	171.2	178.3	0	0	0	0	111.6	N17 H79 L80 D104	N17-V76 HydrophobicContact CB-CG2 4.09Å; V76-H79 PolarHBondContact O-N 3.16Å; V76-L80 HydrophobicContact CG1-CD1 4.06Å; V76-L80 HydrophobicContact CG1-CG 4.37Å; V76-L80 WeakPolarHBondContact O-CG 3.49Å; V76-L80 PolarHBondContact O-N 2.96Å; V76-D104 HydrophobicContact CG2-CB 3.5Å; V76-D104 PolarHBondContact N-OD2 2.96Å
77	E	98.3	Very high	98.4	Very high	130 Å²	130	29 Å²	29	61%	0.607	15%	0.152	S	C	*	.	H	α-helix	trans	-62.1	-43.8	177.5	-65.3	75.7	-164.5	0	0	111.7	S75 L80 A81	S75-E77 WeakPolarHBondContact CB-OE2 3.5Å; S75-E77 PolarHBondContact O-N 3.43Å; E77-L80 PolarHBondContact O-N 3.41Å; E77-A81 WeakPolarHBondContact O-CB 3.35Å; E77-A81 PolarHBondContact O-N 2.81Å
78	D	98.3	Very high	98.4	Very high	65 Å²	65	28 Å²	28	35%	0.348	16%	0.157	S	C	.	.	H	α-helix	trans	-64.6	-43.6	175	-65.9	-43.5	0	0	0	111.2	F43 D74 S75 L80 A81 W82	F43-D78 HydrophobicContact CE2-CB 4.1Å; D74-D78 HydrophobicContact CB-CB 4.14Å; S75-D78 PolarHBondContact N-OD2 2.73Å; S75-D78 PolarHBondContact O-N 2.87Å; S75-D78 VanDerWaalsContact O-N 3.13Å; S75-D78 PolarHBondContact OG-N 3.31Å; S75-D78 VanDerWaalsContact OG-N 3.13Å; S75-D78 PolarHBondContact OG-OD2 3.1Å; D78-L80 VanDerWaalsContact C-N 3.32Å; D78-L80 PolarHBondContact O-N 3.14Å; D78-A81 PolarHBondContact O-N 3Å; D78-W82 VanDerWaalsContact O-CB 3.25Å; D78-W82 WeakPolarHBondContact O-CB 3.33Å; D78-W82 PolarHBondContact O-N 3.2Å
79	H	98.7	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-43.9	177.8	-61.2	-18.5	0	0	0	112.2	T19 D42 S72 D74 S75 V76 S83 I102 I103	T19-H79 HydrophobicContact CG2-CB 3.43Å; T19-H79 VanDerWaalsContact CG2-CB 3.43Å; D42-H79 IonicContact OD1-CE1 3.26Å; D42-H79 IonicContact OD1-ND1 3.71Å; D42-H79 PolarHBondContact OD1-ND1 3.27Å; D42-H79 VanDerWaalsContact OD2-CA 3.25Å; D42-H79 WeakPolarHBondContact OD2-CA 3.34Å; D42-H79 IonicContact OD2-CE1 2.72Å; D42-H79 IonicContact OD2-CG 3.71Å; D42-H79 PolarHBondContact OD2-N 3.36Å; D42-H79 IonicContact OD2-ND1 2.87Å; D42-H79 PolarHBondContact OD2-ND1 3.4Å; S72-H79 PolarHBondContact OG-CE1 2.88Å; D74-H79 PolarHBondContact O-CE1 3.25Å; D74-H79 PolarHBondContact O-NE2 3.15Å; S75-H79 PolarHBondContact O-CD2 3.33Å; S75-H79 PolarHBondContact O-N 2.98Å; S75-H79 PolarHBondContact O-ND1 3.05Å; V76-H79 PolarHBondContact O-N 3.16Å; H79-S83 WeakPolarHBondContact O-CB 3.45Å; H79-S83 PolarHBondContact O-N 2.83Å; H79-S83 PolarHBondContact O-OG 3.36Å; H79-I102 HydrophobicContact CB-CB 4.1Å; H79-I102 HydrophobicContact CB-CD1 4.18Å; H79-I102 HydrophobicContact CB-CG2 4.28Å; H79-I103 PolarHBondContact NE2-O 2.87Å; H79-I103 VanDerWaalsContact NE2-O 3.14Å
80	L	98.7	Very high	98.3	Very high	47 Å²	47	34.2 Å²	34.2	25%	0.246	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-45.9	178.5	-70.8	169.6	0	0	0	110.8	T19 V76 E77 D78 S83 E96	T19-L80 HydrophobicContact CG2-CD2 4.03Å; T19-L80 HydrophobicContact CG2-CG 4.18Å; V76-L80 HydrophobicContact CG1-CD1 4.06Å; V76-L80 HydrophobicContact CG1-CG 4.37Å; V76-L80 WeakPolarHBondContact O-CG 3.49Å; V76-L80 PolarHBondContact O-N 2.96Å; E77-L80 PolarHBondContact O-N 3.41Å; D78-L80 VanDerWaalsContact C-N 3.32Å; D78-L80 PolarHBondContact O-N 3.14Å; L80-S83 WeakPolarHBondContact O-CB 3.21Å; L80-S83 PolarHBondContact O-N 3.19Å; L80-E96 HydrophobicContact CB-CB 4.33Å; L80-E96 HydrophobicContact CB-CG 4.46Å; L80-E96 HydrophobicContact CD2-CB 4.04Å; L80-E96 WeakPolarHBondContact O-CG 3.18Å
81	A	98.6	Very high	98.3	Very high	41 Å²	41	40.1 Å²	40.1	34%	0.339	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-46.8	177.3	0	0	0	0	0	111.7	F43 E77 D78 S83 K84	F43-A81 HydrophobicContact CZ-CB 4.06Å; E77-A81 WeakPolarHBondContact O-CB 3.35Å; E77-A81 PolarHBondContact O-N 2.81Å; D78-A81 PolarHBondContact O-N 3Å; A81-S83 VanDerWaalsContact C-N 3.33Å; A81-S83 PolarHBondContact O-N 3.4Å; A81-K84 WeakPolarHBondContact O-CB 3.42Å; A81-K84 PolarHBondContact O-N 3.24Å
82	W	98.8	Very high	98.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.7	-27.4	-180	-176.4	49.8	0	0	0	113.4	H39 D42 F43 C47 T48 L51 D78 K84 D85 I86 I102	H39-W82 AromaticContact CD2-CH2 3.91Å; H39-W82 AromaticContact CD2-CZ3 3.94Å; H39-W82 AromaticContact CE1-CZ3 3.73Å; H39-W82 AromaticContact NE2-CH2 3.72Å; H39-W82 AromaticContact NE2-CZ3 3.26Å; H39-W82 VanDerWaalsContact NE2-CZ3 3.26Å; H39-W82 WeakPolarHBondContact NE2-CZ3 3.23Å; D42-W82 HydrophobicContact CB-CB 4.26Å; D42-W82 HydrophobicContact CB-CD2 3.91Å; D42-W82 HydrophobicContact CB-CE3 3.81Å; D42-W82 HydrophobicContact CB-CG 4.1Å; D42-W82 HydrophobicContact CB-CZ3 4.43Å; D42-W82 VanDerWaalsContact CG-CE3 3.4Å; F43-W82 HydrophobicContact CD1-CB 4.03Å; F43-W82 AromaticContact CD1-CD1 3.48Å; F43-W82 VanDerWaalsContact CD1-CD1 3.48Å; F43-W82 HydrophobicContact CD1-CG 4.01Å; F43-W82 HydrophobicContact CD2-CB 4.45Å; F43-W82 HydrophobicContact CE1-CB 3.59Å; F43-W82 AromaticContact CE1-CD1 3.87Å; F43-W82 HydrophobicContact CE1-CG 4.07Å; F43-W82 HydrophobicContact CE2-CB 4.05Å; F43-W82 HydrophobicContact CG-CB 4.44Å; F43-W82 AromaticContact CG-CD1 3.94Å; F43-W82 HydrophobicContact CG-CG 4.3Å; F43-W82 HydrophobicContact CZ-CB 3.6Å; F43-W82 HydrophobicContact CZ-CG 4.41Å; C47-W82 HydrophobicContact CB-CH2 3.72Å; C47-W82 HydrophobicContact CB-CZ2 3.84Å; T48-W82 WeakPolarHBondContact OG1-CZ2 3.27Å; T48-W82 PolarHBondContact OG1-NE1 3.5Å; T48-W82 VanDerWaalsContact OG1-NE1 3.13Å; L51-W82 HydrophobicContact CB-CH2 4.41Å; L51-W82 HydrophobicContact CD1-CH2 4.06Å; L51-W82 HydrophobicContact CD2-CE3 4.44Å; L51-W82 HydrophobicContact CD2-CH2 3.7Å; L51-W82 HydrophobicContact CD2-CZ3 3.44Å; L51-W82 VanDerWaalsContact CD2-CZ3 3.44Å; L51-W82 HydrophobicContact CG-CH2 4.26Å; L51-W82 HydrophobicContact CG-CZ3 4.45Å; D78-W82 VanDerWaalsContact O-CB 3.25Å; D78-W82 WeakPolarHBondContact O-CB 3.33Å; D78-W82 PolarHBondContact O-N 3.2Å; W82-K84 PolarHBondContact O-N 3.02Å; W82-K84 VanDerWaalsContact O-N 3.15Å; W82-D85 WeakPolarHBondContact O-CA 3.29Å; W82-D85 WeakPolarHBondContact O-CB 3.49Å; W82-D85 PolarHBondContact O-N 3.02Å; W82-I86 HydrophobicContact CD2-CD1 3.71Å; W82-I86 HydrophobicContact CD2-CG1 4.16Å; W82-I86 HydrophobicContact CE3-CD1 3.6Å; W82-I86 HydrophobicContact CG-CD1 4.46Å; W82-I86 HydrophobicContact CH2-CD1 3.84Å; W82-I86 HydrophobicContact CH2-CG1 4.44Å; W82-I86 HydrophobicContact CZ2-CD1 3.95Å; W82-I86 HydrophobicContact CZ2-CG1 4.09Å; W82-I86 HydrophobicContact CZ3-CD1 3.67Å; W82-I86 PolarHBondContact O-N 2.86Å; W82-I86 VanDerWaalsContact O-N 3.07Å; W82-I102 HydrophobicContact CE3-CD1 4.48Å; W82-I102 HydrophobicContact CZ3-CD1 4.49Å
83	S	98.8	Very high	98.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-28.7	174.1	-67.4	0	0	0	0	112.6	H79 L80 A81 I86 N87 T95 E96 L98	H79-S83 WeakPolarHBondContact O-CB 3.45Å; H79-S83 PolarHBondContact O-N 2.83Å; H79-S83 PolarHBondContact O-OG 3.36Å; L80-S83 WeakPolarHBondContact O-CB 3.21Å; L80-S83 PolarHBondContact O-N 3.19Å; A81-S83 VanDerWaalsContact C-N 3.33Å; A81-S83 PolarHBondContact O-N 3.4Å; S83-I86 PolarHBondContact O-N 2.67Å; S83-N87 PolarHBondContact O-N 3.01Å; S83-N87 PolarHBondContact O-ND2 3.01Å; S83-T95 CarbonylContact C-O 3.57Å; S83-E96 WeakPolarHBondContact CB-O 3.31Å; S83-L98 WeakPolarHBondContact OG-CD1 3.37Å
84	K	98.7	Very high	98.3	Very high	80 Å²	80	55 Å²	55	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-43.1	172.4	-58.7	-179.5	-175.4	168.4	0	111.7	A81 W82 N87 A88 P94 T95 E96	A81-K84 WeakPolarHBondContact O-CB 3.42Å; A81-K84 PolarHBondContact O-N 3.24Å; W82-K84 PolarHBondContact O-N 3.02Å; W82-K84 VanDerWaalsContact O-N 3.15Å; K84-N87 PolarHBondContact O-N 2.68Å; K84-A88 VanDerWaalsContact O-CB 3.31Å; K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 2.82Å; K84-P94 HydrophobicContact CB-CB 4.33Å; K84-P94 WeakPolarHBondContact CG-O 3.23Å; K84-T95 WeakPolarHBondContact CA-O 3.36Å; K84-T95 PolarHBondContact N-O 3.45Å; K84-E96 HydrophobicContact CD-CG 4.27Å; K84-E96 WeakPolarHBondContact CE-OE1 3.48Å; K84-E96 HydrophobicContact CG-CG 3.99Å; K84-E96 IonicContact NZ-OE1 2.72Å; K84-E96 PolarHBondContact NZ-OE1 2.97Å
85	D	98.8	Very high	98.4	Very high	83 Å²	83	56.6 Å²	56.6	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-68.3	-38.8	178.5	-71	0.9	0	0	0	111.3	W82 A88 Y89	W82-D85 WeakPolarHBondContact O-CA 3.29Å; W82-D85 WeakPolarHBondContact O-CB 3.49Å; W82-D85 PolarHBondContact O-N 3.02Å; D85-A88 PolarHBondContact O-N 3Å; D85-Y89 VanDerWaalsContact O-CB 3.29Å; D85-Y89 WeakPolarHBondContact O-CB 3.32Å; D85-Y89 PolarHBondContact O-N 2.79Å
86	I	98.8	Very high	98.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-45.9	175.4	-66.5	163.7	0	0	0	110.6	T48 L51 W82 S83 Y89 N90 L98	T48-I86 HydrophobicContact CG2-CG1 4.33Å; L51-I86 HydrophobicContact CB-CD1 3.78Å; L51-I86 HydrophobicContact CB-CG1 4.32Å; L51-I86 HydrophobicContact CB-CG2 4.29Å; L51-I86 HydrophobicContact CD2-CD1 3.78Å; L51-I86 HydrophobicContact CG-CD1 4.45Å; W82-I86 HydrophobicContact CD2-CD1 3.71Å; W82-I86 HydrophobicContact CD2-CG1 4.16Å; W82-I86 HydrophobicContact CE3-CD1 3.6Å; W82-I86 HydrophobicContact CG-CD1 4.46Å; W82-I86 HydrophobicContact CH2-CD1 3.84Å; W82-I86 HydrophobicContact CH2-CG1 4.44Å; W82-I86 HydrophobicContact CZ2-CD1 3.95Å; W82-I86 HydrophobicContact CZ2-CG1 4.09Å; W82-I86 HydrophobicContact CZ3-CD1 3.67Å; W82-I86 PolarHBondContact O-N 2.86Å; W82-I86 VanDerWaalsContact O-N 3.07Å; S83-I86 PolarHBondContact O-N 2.67Å; I86-Y89 PolarHBondContact O-N 2.67Å; I86-N90 PolarHBondContact O-N 3.46Å; I86-L98 HydrophobicContact CB-CD2 4.39Å; I86-L98 HydrophobicContact CD1-CD1 4.05Å; I86-L98 HydrophobicContact CG2-CD2 3.87Å
87	N	98.7	Very high	98.2	Very high	6 Å²	6	67 Å²	67	3%	0.032	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-43	176.5	-77.5	-35.9	0	0	0	111.5	S83 K84 Y89 N90 C91 E92 E93 T95 K97	S83-N87 PolarHBondContact O-N 3.01Å; S83-N87 PolarHBondContact O-ND2 3.01Å; K84-N87 PolarHBondContact O-N 2.68Å; N87-Y89 PolarHBondContact O-N 2.91Å; N87-N90 CarbonylContact O-C 3.52Å; N87-N90 WeakPolarHBondContact O-CB 3.41Å; N87-N90 PolarHBondContact O-N 2.93Å; N87-N90 VanDerWaalsContact O-N 3.13Å; N87-C91 PolarHBondContact O-N 3.27Å; N87-E92 HydrophobicContact CB-CB 4.42Å; N87-E92 PolarHBondContact O-N 3.23Å; N87-E93 WeakPolarHBondContact CB-O 3.22Å; N87-T95 PolarHBondContact ND2-O 2.93Å; N87-K97 PolarHBondContact ND2-O 2.83Å
88	A	98.6	Very high	98.2	Very high	52 Å²	52	62 Å²	62	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-41.8	175.7	0	0	0	0	0	112.6	K84 D85 N90 C91 P94	K84-A88 VanDerWaalsContact O-CB 3.31Å; K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 2.82Å; D85-A88 PolarHBondContact O-N 3Å; A88-N90 PolarHBondContact O-N 2.97Å; A88-C91 WeakPolarHBondContact O-CA 3.31Å; A88-C91 PolarHBondContact O-N 2.91Å; A88-P94 HydrophobicContact CB-CB 4.46Å
89	Y	98.6	Very high	98.2	Very high	122 Å²	122	62.9 Å²	62.9	48%	0.478	34%	0.337	S	S	.	.	H	α-helix	trans	-56.9	-37.2	174.1	167.8	-99.9	0	0	0	112	T48 T49 D85 I86 N87 C91	T48-Y89 HydrophobicContact CG2-CG 4.1Å; T49-Y89 HydrophobicContact CG2-CE1 4.49Å; T49-Y89 HydrophobicContact CG2-CE2 3.97Å; T49-Y89 WeakPolarHBondContact CG2-OH 3.41Å; D85-Y89 VanDerWaalsContact O-CB 3.29Å; D85-Y89 WeakPolarHBondContact O-CB 3.32Å; D85-Y89 PolarHBondContact O-N 2.79Å; I86-Y89 PolarHBondContact O-N 2.67Å; N87-Y89 PolarHBondContact O-N 2.91Å; Y89-C91 PolarHBondContact O-N 2.87Å
90	N	98.4	Very high	98.2	Very high	19 Å²	19	63.1 Å²	63.1	10%	0.102	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	5.7	176.8	-87.2	-16.9	0	0	0	114.4	G52 K56 I86 N87 A88 E92	G52-N90 VanDerWaalsContact CA-ND2 3.34Å; G52-N90 WeakPolarHBondContact CA-ND2 3.29Å; G52-N90 PolarHBondContact O-ND2 3.48Å; G52-N90 PolarHBondContact O-OD1 2.92Å; K56-N90 PolarHBondContact NZ-O 3.41Å; I86-N90 PolarHBondContact O-N 3.46Å; N87-N90 CarbonylContact O-C 3.52Å; N87-N90 WeakPolarHBondContact O-CB 3.41Å; N87-N90 PolarHBondContact O-N 2.93Å; N87-N90 VanDerWaalsContact O-N 3.13Å; A88-N90 PolarHBondContact O-N 2.97Å; N90-E92 HydrophobicContact CB-CG 4.3Å; N90-E92 PolarHBondContact O-N 3.4Å
91	C	98.1	Very high	98.2	Very high	123 Å²	123	61.3 Å²	61.3	83%	0.831	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	35.2	-173.9	-55.9	0	0	0	0	113.2	N87 A88 Y89	N87-C91 PolarHBondContact O-N 3.27Å; A88-C91 WeakPolarHBondContact O-CA 3.31Å; A88-C91 PolarHBondContact O-N 2.91Å; Y89-C91 PolarHBondContact O-N 2.87Å
92	E	97.8	Very high	98.2	Very high	91 Å²	91	59.3 Å²	59.3	43%	0.425	31%	0.313	S	S	.	.	S	Bend	trans	-103.7	172.2	174.2	-65.1	-178	-153.1	0	0	111	K56 N87 N90	K56-E92 WeakPolarHBondContact CE-OE1 3.44Å; K56-E92 IonicContact NZ-OE1 2.66Å; K56-E92 PolarHBondContact NZ-OE1 3.17Å; N87-E92 HydrophobicContact CB-CB 4.42Å; N87-E92 PolarHBondContact O-N 3.23Å; N90-E92 HydrophobicContact CB-CG 4.3Å; N90-E92 PolarHBondContact O-N 3.4Å
93	E	97.8	Very high	98.2	Very high	154 Å²	154	59.3 Å²	59.3	72%	0.72	31%	0.313	S	S	*	.			trans	-60.1	130.7	173.6	-171.9	179.5	-178.9	0	0	109.6	N87 T95	N87-E93 WeakPolarHBondContact CB-O 3.22Å; E93-T95 HydrophobicContact CB-CG2 4.09Å; E93-T95 HydrophobicContact CG-CG2 3.8Å; E93-T95 PolarHBondContact O-N 2.92Å
94	P	97.3	Very high	98.2	Very high	80 Å²	80	60.1 Å²	60.1	52%	0.519	32%	0.317	S	S	.	.			trans	-76.5	65.4	-173.3	32.4	-36.6	0	0	0	111.6	K84 A88	K84-P94 HydrophobicContact CB-CB 4.33Å; K84-P94 WeakPolarHBondContact CG-O 3.23Å; A88-P94 HydrophobicContact CB-CB 4.46Å
95	T	97.9	Very high	98.2	Very high	50 Å²	50	56.7 Å²	56.7	31%	0.307	30%	0.302	S	S	.	.			trans	-90.6	165.2	175.8	80.9	0	0	0	0	110.9	S83 K84 N87 E93 K97	S83-T95 CarbonylContact C-O 3.57Å; K84-T95 WeakPolarHBondContact CA-O 3.36Å; K84-T95 PolarHBondContact N-O 3.45Å; N87-T95 PolarHBondContact ND2-O 2.93Å; E93-T95 HydrophobicContact CB-CG2 4.09Å; E93-T95 HydrophobicContact CG-CG2 3.8Å; E93-T95 PolarHBondContact O-N 2.92Å; T95-K97 VanDerWaalsContact C-N 3.26Å; T95-K97 PolarHBondContact O-N 3.49Å; T95-K97 PolarHBondContact OG1-N 3.07Å
96	E	96.8	Very high	97.9	Very high	86 Å²	86	57.3 Å²	57.3	40%	0.402	30%	0.301	S	S	.	.	S	Bend	trans	-83.4	-3.9	177.3	-60.2	173.3	179.1	0	0	112.5	L80 S83 K84	L80-E96 HydrophobicContact CB-CB 4.33Å; L80-E96 HydrophobicContact CB-CG 4.46Å; L80-E96 HydrophobicContact CD2-CB 4.04Å; L80-E96 WeakPolarHBondContact O-CG 3.18Å; S83-E96 WeakPolarHBondContact CB-O 3.31Å; K84-E96 HydrophobicContact CD-CG 4.27Å; K84-E96 WeakPolarHBondContact CE-OE1 3.48Å; K84-E96 HydrophobicContact CG-CG 3.99Å; K84-E96 IonicContact NZ-OE1 2.72Å; K84-E96 PolarHBondContact NZ-OE1 2.97Å
97	K	95.5	Very high	97.6	Very high	176 Å²	176	62.5 Å²	62.5	77%	0.765	33%	0.329	S	S	*	.			trans	-91.7	131.1	-174.5	-66.6	-174.7	-179	179.9	0	110.4	N87 T95	N87-K97 PolarHBondContact ND2-O 2.83Å; T95-K97 VanDerWaalsContact C-N 3.26Å; T95-K97 PolarHBondContact O-N 3.49Å; T95-K97 PolarHBondContact OG1-N 3.07Å
98	L	98.6	Very high	97.3	Very high	26 Å²	26	63.4 Å²	63.4	14%	0.136	33%	0.332	C	S	.	.			trans	-116.9	159	169.3	-70.7	176.1	0	0	0	109.7	A55 S83 I86 F100 I102	A55-L98 HydrophobicContact CB-CD2 4.36Å; S83-L98 WeakPolarHBondContact OG-CD1 3.37Å; I86-L98 HydrophobicContact CB-CD2 4.39Å; I86-L98 HydrophobicContact CD1-CD1 4.05Å; I86-L98 HydrophobicContact CG2-CD2 3.87Å; L98-F100 WeakPolarHBondContact CB-O 3.49Å; L98-F100 HydrophobicContact CD1-CE2 4.08Å; L98-F100 HydrophobicContact CD1-CZ 4.45Å; L98-F100 PolarHBondContact O-N 3.03Å; L98-F100 VanDerWaalsContact O-N 3.1Å; L98-I102 HydrophobicContact CD1-CD1 3.82Å; L98-I102 HydrophobicContact CD1-CG1 4.3Å
99	P	98.5	Very high	97.1	Very high	83 Å²	83	65.7 Å²	65.7	54%	0.539	34%	0.337	S	S	.	.	S	Bend	trans	-72.1	1.8	177.7	30.3	-35.4	0	0	0	113.6	A55 A58	A55-P99 HydrophobicContact CB-CG 3.95Å; A58-P99 HydrophobicContact CB-CB 3.59Å; A58-P99 HydrophobicContact CB-CG 3.46Å; A58-P99 VanDerWaalsContact CB-CG 3.46Å
100	F	98.8	Very high	97	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.022	32%	0.317	C	S	.	.	S	Bend	trans	-145	153.3	174.9	48.3	-99.1	0	0	0	110.3	F37 L51 A54 A55 L68 A70 L98	F37-F100 HydrophobicContact CZ-CD2 4.1Å; F37-F100 HydrophobicContact CZ-CE1 4.49Å; F37-F100 AromaticContact CZ-CE2 3.83Å; F37-F100 HydrophobicContact CZ-CE2 3.83Å; F37-F100 HydrophobicContact CZ-CZ 4.05Å; L51-F100 HydrophobicContact CB-CZ 4.5Å; L51-F100 HydrophobicContact CD2-CE2 4.32Å; L51-F100 HydrophobicContact CG-CE2 4.37Å; L51-F100 HydrophobicContact CG-CZ 4.46Å; A54-F100 HydrophobicContact CB-CE1 3.71Å; A54-F100 HydrophobicContact CB-CZ 3.81Å; A55-F100 HydrophobicContact CB-CE1 4.15Å; A55-F100 HydrophobicContact CB-CZ 4.45Å; L68-F100 HydrophobicContact CB-CB 3.7Å; L68-F100 HydrophobicContact CB-CD1 3.95Å; L68-F100 HydrophobicContact CB-CG 4.01Å; L68-F100 HydrophobicContact CD1-CD1 3.93Å; L68-F100 HydrophobicContact CD1-CE1 4.4Å; L68-F100 VanDerWaalsContact O-CB 3.23Å; L68-F100 WeakPolarHBondContact O-CB 3.27Å; A70-F100 HydrophobicContact CB-CD2 4.23Å; A70-F100 HydrophobicContact CB-CE2 4.18Å; L98-F100 WeakPolarHBondContact CB-O 3.49Å; L98-F100 HydrophobicContact CD1-CE2 4.08Å; L98-F100 HydrophobicContact CD1-CZ 4.45Å; L98-F100 PolarHBondContact O-N 3.03Å; L98-F100 VanDerWaalsContact O-N 3.1Å
101	P	98.8	Very high	96.8	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.058	31%	0.312	C	S	.	.			trans	-75.6	154.7	173.9	28.6	-31.2	0	0	0	112.6	T19 V20 F28 I69 A70	T19-P101 WeakPolarHBondContact OG1-CA 3.13Å; V20-P101 HydrophobicContact CG1-CB 4.38Å; V20-P101 HydrophobicContact CG2-CB 3.85Å; V20-P101 HydrophobicContact CG2-CG 4.43Å; F28-P101 HydrophobicContact CE2-CG 3.78Å; F28-P101 HydrophobicContact CZ-CG 3.94Å; I69-P101 HydrophobicContact CB-CG 4.28Å; I69-P101 HydrophobicContact CD1-CG 3.82Å; I69-P101 HydrophobicContact CG1-CG 3.88Å; A70-P101 PolarHBondContact N-O 2.76Å
102	I	98.9	Very high	96.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.6	167.1	-46	-177.9	0	0	0	107.8	T18 T19 L51 A70 H79 W82 L98	T18-I102 WeakPolarHBondContact CA-O 3.27Å; T18-I102 WeakPolarHBondContact CB-O 3.41Å; T19-I102 HydrophobicContact CG2-CB 4.01Å; T19-I102 HydrophobicContact CG2-CG1 4.36Å; T19-I102 PolarHBondContact N-O 3.03Å; T19-I102 VanDerWaalsContact N-O 3.1Å; T19-I102 PolarHBondContact OG1-N 2.65Å; T19-I102 VanDerWaalsContact OG1-N 3.11Å; L51-I102 HydrophobicContact CD2-CD1 3.82Å; L51-I102 HydrophobicContact CD2-CG1 4.48Å; A70-I102 HydrophobicContact CB-CB 4.31Å; A70-I102 HydrophobicContact CB-CG1 4.08Å; A70-I102 HydrophobicContact CB-CG2 4.08Å; H79-I102 HydrophobicContact CB-CB 4.1Å; H79-I102 HydrophobicContact CB-CD1 4.18Å; H79-I102 HydrophobicContact CB-CG2 4.28Å; W82-I102 HydrophobicContact CE3-CD1 4.48Å; W82-I102 HydrophobicContact CZ3-CD1 4.49Å; L98-I102 HydrophobicContact CD1-CD1 3.82Å; L98-I102 HydrophobicContact CD1-CG1 4.3Å
103	I	98.9	Very high	96.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130.7	179.2	-63	164.4	0	0	0	110.4	F14 A16 T18 I69 A70 L71 S72 H79 L110	F14-I103 HydrophobicContact CE2-CD1 4.01Å; F14-I103 HydrophobicContact CZ-CD1 4Å; A16-I103 HydrophobicContact CB-CG2 3.65Å; T18-I103 HydrophobicContact CG2-CB 4.47Å; T18-I103 HydrophobicContact CG2-CG1 3.88Å; I69-I103 HydrophobicContact CD1-CD1 3.55Å; I69-I103 HydrophobicContact CD1-CG1 3.67Å; I69-I103 HydrophobicContact CG1-CD1 3.64Å; I69-I103 HydrophobicContact CG1-CG1 3.77Å; A70-I103 WeakPolarHBondContact O-CB 3.27Å; A70-I103 WeakPolarHBondContact O-CG1 3.43Å; A70-I103 PolarHBondContact O-N 2.89Å; L71-I103 HydrophobicContact CB-CB 4.07Å; L71-I103 HydrophobicContact CB-CD1 4.31Å; L71-I103 HydrophobicContact CD1-CB 4.08Å; L71-I103 HydrophobicContact CD1-CD1 4.02Å; L71-I103 HydrophobicContact CD1-CG2 3.91Å; L71-I103 HydrophobicContact CG-CB 4.02Å; L71-I103 HydrophobicContact CG-CG2 4.19Å; S72-I103 PolarHBondContact N-O 2.92Å; H79-I103 PolarHBondContact NE2-O 2.87Å; H79-I103 VanDerWaalsContact NE2-O 3.14Å; I103-L110 HydrophobicContact CG2-CD1 3.83Å
104	D	98.4	Very high	96.2	Very high	18 Å²	18	51.2 Å²	51.2	10%	0.096	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	113.4	166.7	172.4	-20.6	0	0	0	109.4	N17 V76 K106	N17-D104 PolarHBondContact O-N 3.05Å; V76-D104 HydrophobicContact CG2-CB 3.5Å; V76-D104 PolarHBondContact N-OD2 2.96Å; D104-K106 WeakPolarHBondContact OD1-CB 3.35Å; D104-K106 WeakPolarHBondContact OD1-CG 3.39Å; D104-K106 PolarHBondContact OD1-N 2.75Å; D104-K106 IonicContact OD1-NZ 2.75Å; D104-K106 IonicContact OD2-NZ 3.72Å; D104-K106 PolarHBondContact OD2-NZ 2.74Å
105	D	97.6	Very high	96.1	Very high	7 Å²	7	49 Å²	49	4%	0.037	26%	0.257	C	S	.	.			trans	-122.7	43.6	173.2	-170.5	38.3	0	0	0	111.6	L71 S72 N107 R108 D109 L110 A111	L71-D105 HydrophobicContact CD1-CB 4.25Å; L71-D105 HydrophobicContact CD2-CB 4Å; L71-D105 HydrophobicContact CG-CB 4.13Å; S72-D105 WeakPolarHBondContact O-CB 3.5Å; S72-D105 PolarHBondContact O-N 2.72Å; D105-N107 PolarHBondContact O-N 3.1Å; D105-R108 WeakPolarHBondContact O-CA 3.42Å; D105-R108 PolarHBondContact O-N 3.26Å; D105-R108 PolarHBondContact OD1-N 2.99Å; D105-R108 WeakPolarHBondContact OD2-CA 3.49Å; D105-D109 PolarHBondContact OD1-N 3.32Å; D105-L110 PolarHBondContact OD1-N 3.27Å; D105-L110 PolarHBondContact OD2-N 2.74Å; D105-A111 VanDerWaalsContact OD2-CB 3.26Å; D105-A111 WeakPolarHBondContact OD2-CB 2.93Å; D105-A111 PolarHBondContact OD2-N 3.39Å
106	K	93.4	Very high	95.9	Very high	96 Å²	96	46.6 Å²	46.6	42%	0.417	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.8	-179.5	69.2	-170.9	143.9	-135.5	0	114.8	I73 D104 R108	I73-K106 WeakPolarHBondContact O-CA 3.38Å; D104-K106 WeakPolarHBondContact OD1-CB 3.35Å; D104-K106 WeakPolarHBondContact OD1-CG 3.39Å; D104-K106 PolarHBondContact OD1-N 2.75Å; D104-K106 IonicContact OD1-NZ 2.75Å; D104-K106 IonicContact OD2-NZ 3.72Å; D104-K106 PolarHBondContact OD2-NZ 2.74Å; K106-R108 VanDerWaalsContact C-N 3.29Å; K106-R108 PolarHBondContact O-NH1 2.82Å
107	N	91.6	Very high	95.5	Very high	109 Å²	109	45.1 Å²	45.1	58%	0.583	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-11.7	177.7	-65.7	-19.7	0	0	0	113	D105 D109	D105-N107 PolarHBondContact O-N 3.1Å; N107-D109 VanDerWaalsContact CB-OD2 3.23Å; N107-D109 WeakPolarHBondContact CB-OD2 3.23Å; N107-D109 PolarHBondContact O-N 3.11Å
108	R	93.6	Very high	95	Very high	25 Å²	25	37.4 Å²	37.4	9%	0.094	20%	0.204	C	C	.	.			trans	63.2	19.1	-175.3	-58.9	147.6	171.8	92.1	-2.9	113.5	I73 D105 K106 L110 A111 I112 L117 D123 M127 P128	I73-R108 HydrophobicContact CG2-CG 3.76Å; D105-R108 WeakPolarHBondContact O-CA 3.42Å; D105-R108 PolarHBondContact O-N 3.26Å; D105-R108 PolarHBondContact OD1-N 2.99Å; D105-R108 WeakPolarHBondContact OD2-CA 3.49Å; K106-R108 VanDerWaalsContact C-N 3.29Å; K106-R108 PolarHBondContact O-NH1 2.82Å; R108-L110 VanDerWaalsContact C-N 3.29Å; R108-L110 PolarHBondContact O-N 3.37Å; R108-A111 HydrophobicContact CB-CB 4.18Å; R108-A111 PolarHBondContact O-N 2.87Å; R108-I112 HydrophobicContact CB-CD1 4.25Å; R108-I112 HydrophobicContact CB-CG1 4.37Å; R108-I112 WeakPolarHBondContact O-CB 3.47Å; R108-I112 WeakPolarHBondContact O-CD1 3.37Å; R108-I112 WeakPolarHBondContact O-CG1 3.2Å; R108-I112 PolarHBondContact O-N 3.38Å; R108-L117 HydrophobicContact CG-CD2 4.41Å; R108-D123 IonicContact CZ-OD2 3.62Å; R108-D123 IonicContact NH1-OD2 3.69Å; R108-D123 VanDerWaalsContact NH2-CG 3.33Å; R108-D123 IonicContact NH2-OD2 3.51Å; R108-D123 PolarHBondContact NH2-OD2 3.1Å; R108-M127 VanDerWaalsContact NH2-CB 3.32Å; R108-P128 PolarHBondContact NE-O 2.8Å
109	D	94.1	Very high	94.1	Very high	100 Å²	100	41.6 Å²	41.6	54%	0.535	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-44.5	-178.3	-67.2	-38.6	0	0	0	109.5	D105 N107 L113	D105-D109 PolarHBondContact OD1-N 3.32Å; N107-D109 VanDerWaalsContact CB-OD2 3.23Å; N107-D109 WeakPolarHBondContact CB-OD2 3.23Å; N107-D109 PolarHBondContact O-N 3.11Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 PolarHBondContact O-N 2.89Å
110	L	95.8	Very high	93.3	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-76.4	-39.3	178.2	-59	-178.8	0	0	0	112	F14 A16 L71 I103 D105 R108 I112 L113 L114	F14-L110 HydrophobicContact CB-CD2 3.59Å; F14-L110 HydrophobicContact CD1-CD2 3.87Å; F14-L110 HydrophobicContact CD2-CD1 3.77Å; F14-L110 HydrophobicContact CD2-CD2 3.87Å; F14-L110 HydrophobicContact CE2-CD1 3.76Å; F14-L110 HydrophobicContact CG-CD1 4.23Å; F14-L110 HydrophobicContact CG-CD2 3.51Å; F14-L110 HydrophobicContact CZ-CD1 4.2Å; A16-L110 HydrophobicContact CB-CD1 4.09Å; L71-L110 HydrophobicContact CD1-CB 3.94Å; L71-L110 HydrophobicContact CD1-CD1 3.76Å; I103-L110 HydrophobicContact CG2-CD1 3.83Å; D105-L110 PolarHBondContact OD1-N 3.27Å; D105-L110 PolarHBondContact OD2-N 2.74Å; R108-L110 VanDerWaalsContact C-N 3.29Å; R108-L110 PolarHBondContact O-N 3.37Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 3.34Å; L110-L113 HydrophobicContact CD2-CD2 4.22Å; L110-L113 PolarHBondContact O-N 3.14Å; L110-L114 VanDerWaalsContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CB 3.29Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.31Å
111	A	94.4	Very high	92.5	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-40.8	176.5	0	0	0	0	0	112	D105 R108 G115 M116 L117 T130	D105-A111 VanDerWaalsContact OD2-CB 3.26Å; D105-A111 WeakPolarHBondContact OD2-CB 2.93Å; D105-A111 PolarHBondContact OD2-N 3.39Å; R108-A111 HydrophobicContact CB-CB 4.18Å; R108-A111 PolarHBondContact O-N 2.87Å; A111-G115 PolarHBondContact O-N 3.41Å; A111-G115 VanDerWaalsContact O-N 3.14Å; A111-M116 PolarHBondContact O-N 3.04Å; A111-L117 HydrophobicContact CB-CD2 3.59Å; A111-L117 HydrophobicContact CB-CG 4.03Å; A111-T130 HydrophobicContact CB-CG2 3.49Å; A111-T130 VanDerWaalsContact CB-CG2 3.49Å
112	I	93	Very high	91.9	Very high	103 Å²	103	50.6 Å²	50.6	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-70.8	-48.6	174.1	-66	166.1	0	0	0	110.3	R108 L110 L114 G115 L117	R108-I112 HydrophobicContact CB-CD1 4.25Å; R108-I112 HydrophobicContact CB-CG1 4.37Å; R108-I112 WeakPolarHBondContact O-CB 3.47Å; R108-I112 WeakPolarHBondContact O-CD1 3.37Å; R108-I112 WeakPolarHBondContact O-CG1 3.2Å; R108-I112 PolarHBondContact O-N 3.38Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 3.34Å; I112-L114 VanDerWaalsContact C-N 3.29Å; I112-L114 PolarHBondContact O-N 3.01Å; I112-G115 PolarHBondContact O-N 3.01Å; I112-L117 HydrophobicContact CG1-CD1 3.68Å
113	L	93.7	Very high	91.1	Very high	89 Å²	89	51.9 Å²	51.9	47%	0.466	29%	0.285	S	S	.	.	H	α-helix	trans	-56.7	-43.2	-178.4	176.8	63.6	0	0	0	112.2	P12 D109 L110	P12-L113 HydrophobicContact CB-CD2 3.8Å; P12-L113 HydrophobicContact CG-CD2 4.01Å; P12-L113 HydrophobicContact CG-CG 4.21Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 PolarHBondContact O-N 2.89Å; L110-L113 HydrophobicContact CD2-CD2 4.22Å; L110-L113 PolarHBondContact O-N 3.14Å
114	L	95.4	Very high	90.3	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.9	-176.4	-60.9	173	0	0	0	113	L5 P12 L36 L110 I112 M116 F135	L5-L114 HydrophobicContact CD1-CD2 3.66Å; L5-L114 HydrophobicContact CG-CD2 4.15Å; P12-L114 HydrophobicContact CG-CD2 3.84Å; L36-L114 HydrophobicContact CD1-CD1 4.07Å; L110-L114 VanDerWaalsContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CB 3.29Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.31Å; I112-L114 VanDerWaalsContact C-N 3.29Å; I112-L114 PolarHBondContact O-N 3.01Å; L114-M116 HydrophobicContact CB-CE 3.93Å; L114-M116 HydrophobicContact CB-CG 3.78Å; L114-M116 HydrophobicContact CB-SD 4.05Å; L114-M116 HydrophobicContact CD1-CE 3.62Å; L114-M116 HydrophobicContact CD1-SD 4.09Å; L114-M116 HydrophobicContact CG-CE 4.34Å; L114-F135 HydrophobicContact CB-CE2 3.96Å; L114-F135 HydrophobicContact CB-CZ 4.35Å; L114-F135 HydrophobicContact CD1-CE2 4.42Å
115	G	93.9	Very high	89.4	Confident	33 Å²	33	67.6 Å²	67.6	34%	0.34	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	39.5	180	0	0	0	0	0	113.6	A111 I112	A111-G115 PolarHBondContact O-N 3.41Å; A111-G115 VanDerWaalsContact O-N 3.14Å; I112-G115 PolarHBondContact O-N 3.01Å
116	M	93.8	Very high	88.7	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.371	C	S	.	.			trans	-101.1	4.2	-174.2	-59	-174.2	-62.7	0	0	114.3	L36 L71 A111 L114 T130 A131 V133 F135	L36-M116 HydrophobicContact CD2-SD 4.12Å; L71-M116 HydrophobicContact CD1-CE 4.04Å; L71-M116 HydrophobicContact CD2-CE 3.9Å; A111-M116 PolarHBondContact O-N 3.04Å; L114-M116 HydrophobicContact CB-CE 3.93Å; L114-M116 HydrophobicContact CB-CG 3.78Å; L114-M116 HydrophobicContact CB-SD 4.05Å; L114-M116 HydrophobicContact CD1-CE 3.62Å; L114-M116 HydrophobicContact CD1-SD 4.09Å; L114-M116 HydrophobicContact CG-CE 4.34Å; M116-T130 HydrophobicContact CB-CG2 4.23Å; M116-T130 CarbonylContact O-C 3.52Å; M116-T130 VanDerWaalsContact O-CA 3.31Å; M116-T130 WeakPolarHBondContact O-CA 3.45Å; M116-A131 PolarHBondContact O-N 3.48Å; M116-V133 HydrophobicContact CB-CB 4.38Å; M116-V133 HydrophobicContact CB-CG2 3.9Å; M116-V133 HydrophobicContact CG-CB 3.99Å; M116-V133 HydrophobicContact CG-CG1 4.14Å; M116-V133 HydrophobicContact CG-CG2 3.94Å; M116-V133 HydrophobicContact SD-CB 4.18Å; M116-V133 HydrophobicContact SD-CG1 4.44Å; M116-F135 HydrophobicContact CG-CE2 3.71Å; M116-F135 HydrophobicContact CG-CZ 4.13Å; M116-F135 HydrophobicContact SD-CD2 4.21Å; M116-F135 HydrophobicContact SD-CE2 3.54Å; M116-F135 VanDerWaalsContact SD-CE2 3.54Å
117	L	89.9	Confident	88.1	Confident	54 Å²	54	68.9 Å²	68.9	28%	0.283	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.6	-178	-68.6	176	0	0	0	111.9	R108 A111 I112 P128 V129	R108-L117 HydrophobicContact CG-CD2 4.41Å; A111-L117 HydrophobicContact CB-CD2 3.59Å; A111-L117 HydrophobicContact CB-CG 4.03Å; I112-L117 HydrophobicContact CG1-CD1 3.68Å; L117-P128 HydrophobicContact CB-CB 4.26Å; L117-P128 HydrophobicContact CD1-CB 4.29Å; L117-P128 HydrophobicContact CD2-CB 4.14Å; L117-P128 HydrophobicContact CG-CB 4.47Å; L117-V129 WeakPolarHBondContact CA-O 3.5Å
118	D	83.3	Confident	87.9	Confident	15 Å²	15	65.4 Å²	65.4	8%	0.08	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.4	166.5	-167.1	-49.6	0	0	0	108.3	A120 E121 V129 A131	D118-A120 VanDerWaalsContact C-N 3.27Å; D118-A120 PolarHBondContact O-N 2.95Å; D118-A120 PolarHBondContact OD1-N 3.47Å; D118-E121 HydrophobicContact CB-CB 4.07Å; D118-E121 HydrophobicContact CB-CG 4.42Å; D118-E121 PolarHBondContact OD1-N 3.37Å; D118-V129 PolarHBondContact N-O 2.73Å; D118-A131 HydrophobicContact CB-CB 4.01Å
119	P	80.6	Confident	87.6	Confident	113 Å²	113	64.6 Å²	64.6	73%	0.734	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	-21.4	-175.6	29	-34.9	0	0	0	113.4
120	A	80.9	Confident	87.1	Confident	77 Å²	77	59.9 Å²	59.9	64%	0.636	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	-36.1	-175.8	0	0	0	0	0	112.1	D118	D118-A120 VanDerWaalsContact C-N 3.27Å; D118-A120 PolarHBondContact O-N 2.95Å; D118-A120 PolarHBondContact OD1-N 3.47Å
121	E	82	Confident	86.9	Confident	82 Å²	82	59.5 Å²	59.5	38%	0.383	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129	-177.8	-62.3	-63.8	147.6	0	0	111.7	D118 P128 V129 A151	D118-E121 HydrophobicContact CB-CB 4.07Å; D118-E121 HydrophobicContact CB-CG 4.42Å; D118-E121 PolarHBondContact OD1-N 3.37Å; E121-P128 WeakPolarHBondContact O-CA 3.32Å; E121-V129 HydrophobicContact CB-CG2 3.53Å; E121-V129 PolarHBondContact O-N 2.78Å; E121-A151 HydrophobicContact CG-CB 3.7Å
122	K	86.9	Confident	87	Confident	127 Å²	127	59.9 Å²	59.9	55%	0.552	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	149.2	-174.2	-68.8	173.3	172.1	-168.5	0	111.2	G126 M127	K122-G126 VanDerWaalsContact CD-O 3.25Å; K122-G126 WeakPolarHBondContact CD-O 3.25Å; K122-M127 CarbonylContact C-O 3.58Å; K122-M127 VanDerWaalsContact CA-O 3.28Å; K122-M127 WeakPolarHBondContact CA-O 3.22Å
123	D	83.1	Confident	87.2	Confident	27 Å²	27	55.1 Å²	55.1	14%	0.144	31%	0.305	C	S	.	.			trans	-73.1	179.4	169.4	75.3	2	0	0	0	111.6	R108 K125 G126 M127 V129	R108-D123 IonicContact CZ-OD2 3.62Å; R108-D123 IonicContact NH1-OD2 3.69Å; R108-D123 VanDerWaalsContact NH2-CG 3.33Å; R108-D123 IonicContact NH2-OD2 3.51Å; R108-D123 PolarHBondContact NH2-OD2 3.1Å; D123-K125 PolarHBondContact O-N 3.28Å; D123-K125 VanDerWaalsContact O-N 3.09Å; D123-K125 VanDerWaalsContact OD1-CA 3.31Å; D123-K125 WeakPolarHBondContact OD1-CA 3.46Å; D123-K125 WeakPolarHBondContact OD1-CB 3.49Å; D123-K125 PolarHBondContact OD1-N 3.43Å; D123-G126 PolarHBondContact O-N 2.91Å; D123-G126 PolarHBondContact OD1-N 3.45Å; D123-G126 VanDerWaalsContact OD1-N 3.08Å; D123-M127 PolarHBondContact N-O 2.85Å; D123-M127 WeakPolarHBondContact OD1-CB 3.36Å; D123-M127 PolarHBondContact OD1-N 2.81Å; D123-V129 HydrophobicContact CB-CG1 4.21Å
124	E	80.3	Confident	87.4	Confident	164 Å²	164	51 Å²	51	77%	0.766	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.7	178.9	-70.9	156.2	-127.2	0	0	113.8	R41 G126	R41-E124 IonicContact CZ-OE1 3.43Å; R41-E124 IonicContact NH1-OE1 3.08Å; R41-E124 PolarHBondContact NH1-OE1 3.47Å; R41-E124 VanDerWaalsContact NH1-OE1 3.08Å; R41-E124 IonicContact NH2-OE1 2.87Å; R41-E124 PolarHBondContact NH2-OE1 3.49Å; E124-G126 VanDerWaalsContact C-N 3.34Å
125	K	80.8	Confident	87.6	Confident	185 Å²	185	51.3 Å²	51.3	80%	0.804	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	4	177.4	-57.9	180	-176.7	172.5	0	111.9	D123 M127	D123-K125 PolarHBondContact O-N 3.28Å; D123-K125 VanDerWaalsContact O-N 3.09Å; D123-K125 VanDerWaalsContact OD1-CA 3.31Å; D123-K125 WeakPolarHBondContact OD1-CA 3.46Å; D123-K125 WeakPolarHBondContact OD1-CB 3.49Å; D123-K125 PolarHBondContact OD1-N 3.43Å; K125-M127 VanDerWaalsContact C-N 3.3Å; K125-M127 HydrophobicContact CB-CG 4.48Å
126	G	83.1	Confident	87.8	Confident	36 Å²	36	49.7 Å²	49.7	37%	0.371	27%	0.268	S	S	.	.	S	Bend	trans	77.6	12.4	-178.8	0	0	0	0	0	114.1	K122 D123 E124	K122-G126 VanDerWaalsContact CD-O 3.25Å; K122-G126 WeakPolarHBondContact CD-O 3.25Å; D123-G126 PolarHBondContact O-N 2.91Å; D123-G126 PolarHBondContact OD1-N 3.45Å; D123-G126 VanDerWaalsContact OD1-N 3.08Å; E124-G126 VanDerWaalsContact C-N 3.34Å
127	M	80.8	Confident	88.1	Confident	93 Å²	93	49.8 Å²	49.8	46%	0.458	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-89.2	134.9	-179.5	-68.7	-66.1	-66.4	0	0	110.6	R108 K122 D123 K125	R108-M127 VanDerWaalsContact NH2-CB 3.32Å; K122-M127 CarbonylContact C-O 3.58Å; K122-M127 VanDerWaalsContact CA-O 3.28Å; K122-M127 WeakPolarHBondContact CA-O 3.22Å; D123-M127 PolarHBondContact N-O 2.85Å; D123-M127 WeakPolarHBondContact OD1-CB 3.36Å; D123-M127 PolarHBondContact OD1-N 2.81Å; K125-M127 VanDerWaalsContact C-N 3.3Å; K125-M127 HydrophobicContact CB-CG 4.48Å
128	P	86.1	Confident	88.5	Confident	37 Å²	37	47.2 Å²	47.2	24%	0.24	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	143.4	177.5	-29.1	36.8	0	0	0	113.2	R108 L117 E121	R108-P128 PolarHBondContact NE-O 2.8Å; L117-P128 HydrophobicContact CB-CB 4.26Å; L117-P128 HydrophobicContact CD1-CB 4.29Å; L117-P128 HydrophobicContact CD2-CB 4.14Å; L117-P128 HydrophobicContact CG-CB 4.47Å; E121-P128 WeakPolarHBondContact O-CA 3.32Å
129	V	87.4	Confident	89.2	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	170.9	172.2	-49.7	0	0	0	0	110.1	P40 I73 L117 D118 E121 D123	P40-V129 HydrophobicContact CB-CG2 3.86Å; I73-V129 HydrophobicContact CD1-CB 3.8Å; I73-V129 HydrophobicContact CD1-CG1 3.49Å; I73-V129 VanDerWaalsContact CD1-CG1 3.49Å; I73-V129 HydrophobicContact CG1-CB 4.35Å; I73-V129 HydrophobicContact CG1-CG1 4.46Å; L117-V129 WeakPolarHBondContact CA-O 3.5Å; D118-V129 PolarHBondContact N-O 2.73Å; E121-V129 HydrophobicContact CB-CG2 3.53Å; E121-V129 PolarHBondContact O-N 2.78Å; D123-V129 HydrophobicContact CB-CG1 4.21Å
130	T	84.6	Confident	90.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.8	175.3	39.6	0	0	0	0	112	H39 P40 L71 I73 A111 M116	H39-T130 PolarHBondContact O-OG1 2.81Å; P40-T130 WeakPolarHBondContact CA-O 3.45Å; P40-T130 WeakPolarHBondContact CB-O 3.24Å; P40-T130 WeakPolarHBondContact CG-O 3.39Å; L71-T130 HydrophobicContact CD2-CG2 3.99Å; I73-T130 HydrophobicContact CG2-CG2 4.13Å; A111-T130 HydrophobicContact CB-CG2 3.49Å; A111-T130 VanDerWaalsContact CB-CG2 3.49Å; M116-T130 HydrophobicContact CB-CG2 4.23Å; M116-T130 CarbonylContact O-C 3.52Å; M116-T130 VanDerWaalsContact O-CA 3.31Å; M116-T130 WeakPolarHBondContact O-CA 3.45Å
131	A	90.9	Very high	90.9	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	23%	0.226	C	C	.	.			trans	-69.1	179.1	162.9	0	0	0	0	0	110.6	S38 M116 D118 V133	S38-A131 PolarHBondContact OG-O 2.82Å; M116-A131 PolarHBondContact O-N 3.48Å; D118-A131 HydrophobicContact CB-CB 4.01Å; A131-V133 HydrophobicContact CB-CG2 4.1Å; A131-V133 PolarHBondContact O-N 3.48Å
132	R	96.4	Very high	91.7	Very high	8 Å²	8	45.1 Å²	45.1	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	72.7	174.2	-64	-178.9	-170	-64.8	-14.8	109.9	P40 V46 C47 E50 Y149 P150 A151 T153 R155	P40-R132 HydrophobicContact CG-CG 4.32Å; V46-R132 VanDerWaalsContact CG1-CZ 3.45Å; C47-R132 PolarHBondContact SG-NH1 2.72Å; C47-R132 PolarHBondContact SG-NH2 2.7Å; E50-R132 IonicContact OE1-NH1 3.99Å; E50-R132 IonicContact OE2-CZ 3.69Å; E50-R132 IonicContact OE2-NH1 2.66Å; E50-R132 PolarHBondContact OE2-NH1 2.87Å; R132-Y149 WeakPolarHBondContact CA-O 3.39Å; R132-Y149 WeakPolarHBondContact CB-O 3.45Å; R132-Y149 PolarHBondContact N-O 3.34Å; R132-Y149 PolarHBondContact O-N 3.27Å; R132-P150 WeakPolarHBondContact CD-O 3.43Å; R132-A151 VanDerWaalsContact CZ-O 3.29Å; R132-A151 PolarHBondContact NE-O 2.66Å; R132-A151 PolarHBondContact NH2-O 3.37Å; R132-T153 WeakPolarHBondContact CD-O 3.45Å; R132-R155 HydrophobicContact CB-CG 4.37Å
133	V	97.6	Very high	92.3	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.8	-179.9	-173.3	0	0	0	0	110.2	F37 S38 M116 A131 F135 I147 L148 R155	F37-V133 CarbonylContact C-O 3.53Å; F37-V133 VanDerWaalsContact CA-O 3.26Å; F37-V133 WeakPolarHBondContact CA-O 3.45Å; S38-V133 PolarHBondContact N-O 2.97Å; S38-V133 PolarHBondContact OG-N 2.82Å; M116-V133 HydrophobicContact CB-CB 4.38Å; M116-V133 HydrophobicContact CB-CG2 3.9Å; M116-V133 HydrophobicContact CG-CB 3.99Å; M116-V133 HydrophobicContact CG-CG1 4.14Å; M116-V133 HydrophobicContact CG-CG2 3.94Å; M116-V133 HydrophobicContact SD-CB 4.18Å; M116-V133 HydrophobicContact SD-CG1 4.44Å; A131-V133 HydrophobicContact CB-CG2 4.1Å; A131-V133 PolarHBondContact O-N 3.48Å; V133-F135 HydrophobicContact CG1-CD1 4.38Å; V133-F135 HydrophobicContact CG1-CD2 4.07Å; V133-F135 HydrophobicContact CG1-CE1 3.95Å; V133-F135 HydrophobicContact CG1-CE2 3.61Å; V133-F135 HydrophobicContact CG1-CG 4.45Å; V133-F135 HydrophobicContact CG1-CZ 3.54Å; V133-I147 CarbonylContact C-O 3.47Å; V133-I147 VanDerWaalsContact CA-O 3.28Å; V133-I147 WeakPolarHBondContact CA-O 3.47Å; V133-L148 HydrophobicContact CG2-CD1 4.1Å; V133-L148 HydrophobicContact CG2-CG 4.2Å; V133-R155 PolarHBondContact O-NH1 3.26Å
134	V	98.7	Very high	93	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.4	169.5	-178.8	0	0	0	0	107.6	I35 L36 F37 V136 S146 I147 I160	I35-V134 HydrophobicContact CG2-CG1 3.81Å; L36-V134 WeakPolarHBondContact O-CA 3.26Å; F37-V134 HydrophobicContact CB-CG2 4.09Å; V134-V136 HydrophobicContact CG1-CG2 4.37Å; V134-S146 CarbonylContact O-C 3.56Å; V134-S146 WeakPolarHBondContact O-CA 3.38Å; V134-I147 HydrophobicContact CB-CB 4.31Å; V134-I147 PolarHBondContact N-O 3.31Å; V134-I147 PolarHBondContact O-N 3.24Å; V134-I160 HydrophobicContact CG1-CD1 4.39Å; V134-I160 HydrophobicContact CG2-CD1 3.94Å
135	F	98.9	Very high	93.9	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.039	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.7	168.5	-63	-65	0	0	0	109.6	L5 I35 L36 L114 M116 V133 F137 L143	L5-F135 HydrophobicContact CB-CE1 4.37Å; L5-F135 HydrophobicContact CD1-CE1 4.48Å; I35-F135 VanDerWaalsContact CA-O 3.32Å; I35-F135 WeakPolarHBondContact CA-O 3.35Å; L36-F135 HydrophobicContact CD2-CD2 4.27Å; L36-F135 PolarHBondContact N-O 2.69Å; L36-F135 PolarHBondContact O-N 3.05Å; L114-F135 HydrophobicContact CB-CE2 3.96Å; L114-F135 HydrophobicContact CB-CZ 4.35Å; L114-F135 HydrophobicContact CD1-CE2 4.42Å; M116-F135 HydrophobicContact CG-CE2 3.71Å; M116-F135 HydrophobicContact CG-CZ 4.13Å; M116-F135 HydrophobicContact SD-CD2 4.21Å; M116-F135 HydrophobicContact SD-CE2 3.54Å; M116-F135 VanDerWaalsContact SD-CE2 3.54Å; V133-F135 HydrophobicContact CG1-CD1 4.38Å; V133-F135 HydrophobicContact CG1-CD2 4.07Å; V133-F135 HydrophobicContact CG1-CE1 3.95Å; V133-F135 HydrophobicContact CG1-CE2 3.61Å; V133-F135 HydrophobicContact CG1-CG 4.45Å; V133-F135 HydrophobicContact CG1-CZ 3.54Å; F135-F137 HydrophobicContact CB-CD2 4.32Å; F135-F137 HydrophobicContact CB-CE1 4.35Å; F135-F137 HydrophobicContact CB-CE2 3.52Å; F135-F137 HydrophobicContact CB-CZ 3.54Å; F135-F137 HydrophobicContact CD2-CZ 4.5Å; F135-F137 HydrophobicContact CG-CE2 4.41Å; F135-F137 HydrophobicContact CG-CZ 4.06Å; F135-L143 HydrophobicContact CB-CD1 3.8Å; F135-L143 HydrophobicContact CD1-CD1 3.63Å; F135-L143 HydrophobicContact CD1-CD2 4.2Å; F135-L143 HydrophobicContact CG-CD1 4.15Å
136	V	98.9	Very high	94.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.1	173.2	-172.3	0	0	0	0	108.7	W33 G34 I35 V134 K144 L145 V164 L167	W33-V136 HydrophobicContact CE3-CG1 4.17Å; W33-V136 HydrophobicContact CZ3-CG1 4.41Å; G34-V136 CarbonylContact O-C 3.57Å; G34-V136 WeakPolarHBondContact O-CA 3.45Å; I35-V136 HydrophobicContact CG1-CG1 4.41Å; I35-V136 HydrophobicContact CG1-CG2 4.33Å; V134-V136 HydrophobicContact CG1-CG2 4.37Å; V136-K144 PolarHBondContact O-N 3.49Å; V136-L145 HydrophobicContact CB-CB 4.22Å; V136-L145 HydrophobicContact CG2-CB 4.29Å; V136-L145 HydrophobicContact CG2-CD2 4.03Å; V136-L145 PolarHBondContact N-O 3.47Å; V136-L145 PolarHBondContact O-N 3.07Å; V136-V164 HydrophobicContact CG1-CG2 4.43Å; V136-L167 HydrophobicContact CB-CD1 4.35Å; V136-L167 HydrophobicContact CG1-CD1 3.9Å
137	F	98.9	Very high	95.5	Very high	1 Å²	1	29 Å²	29	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.4	179.3	-58.4	-72.7	0	0	0	111	L5 A11 F25 L29 W33 G34 L36 F135 K142 L143	L5-F137 HydrophobicContact CD1-CE1 3.95Å; L5-F137 HydrophobicContact CD1-CZ 3.91Å; A11-F137 HydrophobicContact CB-CD1 3.71Å; A11-F137 HydrophobicContact CB-CE1 3.55Å; A11-F137 HydrophobicContact CB-CE2 4.39Å; A11-F137 HydrophobicContact CB-CG 4.21Å; A11-F137 HydrophobicContact CB-CZ 3.91Å; F25-F137 AromaticContact CE1-CD2 3.95Å; F25-F137 HydrophobicContact CE1-CD2 3.95Å; F25-F137 AromaticContact CE1-CE2 3.86Å; F25-F137 HydrophobicContact CE1-CE2 3.86Å; F25-F137 AromaticContact CZ-CD2 3.89Å; F25-F137 HydrophobicContact CZ-CD2 3.89Å; F25-F137 AromaticContact CZ-CE2 3.85Å; F25-F137 HydrophobicContact CZ-CE2 3.85Å; L29-F137 HydrophobicContact CD1-CB 4.43Å; W33-F137 WeakPolarHBondContact CA-O 3.46Å; G34-F137 PolarHBondContact N-O 2.78Å; G34-F137 PolarHBondContact O-N 2.89Å; L36-F137 HydrophobicContact CB-CE2 4.06Å; F135-F137 HydrophobicContact CB-CD2 4.32Å; F135-F137 HydrophobicContact CB-CE1 4.35Å; F135-F137 HydrophobicContact CB-CE2 3.52Å; F135-F137 HydrophobicContact CB-CZ 3.54Å; F135-F137 HydrophobicContact CD2-CZ 4.5Å; F135-F137 HydrophobicContact CG-CE2 4.41Å; F135-F137 HydrophobicContact CG-CZ 4.06Å; F137-K142 WeakPolarHBondContact CA-O 3.16Å; F137-L143 HydrophobicContact CD1-CB 4.19Å; F137-L143 HydrophobicContact CD1-CD1 4.14Å; F137-L143 HydrophobicContact CE1-CB 4Å; F137-L143 HydrophobicContact CE1-CD1 3.76Å; F137-L143 HydrophobicContact CE1-CG 4.5Å; F137-L143 HydrophobicContact CZ-CD1 4.27Å
138	G	98.8	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.			trans	-79.3	170.7	171.2	0	0	0	0	0	112.5	D140 K141 K142	G138-D140 PolarHBondContact O-N 3.2Å; G138-D140 VanDerWaalsContact O-N 3.14Å; G138-K141 WeakPolarHBondContact O-CA 3.5Å; G138-K141 PolarHBondContact O-N 2.92Å; G138-K142 PolarHBondContact N-O 2.66Å
139	P	98.6	Very high	96.7	Very high	49 Å²	49	32.2 Å²	32.2	32%	0.318	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.7	172	-26.6	36.3	0	0	0	113.3	D31 W33 K141	D31-P139 WeakPolarHBondContact O-CB 3.39Å; W33-P139 HydrophobicContact CG-CG 4.35Å; P139-K141 PolarHBondContact O-N 2.88Å; P139-K141 PolarHBondContact O-NZ 3.05Å
140	D	98.5	Very high	97	Very high	76 Å²	76	34.6 Å²	34.6	41%	0.406	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	10.2	173.2	68.4	-18.8	0	0	0	114	G138 K142 K144	G138-D140 PolarHBondContact O-N 3.2Å; G138-D140 VanDerWaalsContact O-N 3.14Å; D140-K142 PolarHBondContact O-N 3.39Å; D140-K142 PolarHBondContact OD1-N 2.95Å; D140-K144 WeakPolarHBondContact OD1-CE 3.31Å; D140-K144 IonicContact OD1-NZ 3.3Å; D140-K144 PolarHBondContact OD1-NZ 3.34Å; D140-K144 IonicContact OD2-NZ 3.08Å; D140-K144 PolarHBondContact OD2-NZ 3.23Å
141	K	98.7	Very high	97.3	Very high	27 Å²	27	35.3 Å²	35.3	12%	0.117	19%	0.186	C	C	.	.	S	Bend	trans	62.8	6.1	-178.9	-50.6	-63.9	174.8	-72.6	0	114.5	E10 A11 H26 L29 G30 G138 P139	E10-K141 HydrophobicContact CG-CB 4.01Å; A11-K141 WeakPolarHBondContact CB-O 3.26Å; A11-K141 PolarHBondContact N-O 3.06Å; H26-K141 HydrophobicContact CB-CD 4.17Å; H26-K141 WeakPolarHBondContact O-CE 3.44Å; L29-K141 HydrophobicContact CB-CD 4.33Å; L29-K141 HydrophobicContact CD1-CD 3.87Å; G30-K141 WeakPolarHBondContact O-CE 3.2Å; G30-K141 PolarHBondContact O-NZ 2.79Å; G138-K141 WeakPolarHBondContact O-CA 3.5Å; G138-K141 PolarHBondContact O-N 2.92Å; P139-K141 PolarHBondContact O-N 2.88Å; P139-K141 PolarHBondContact O-NZ 3.05Å
142	K	98.8	Very high	97.3	Very high	91 Å²	91	40.3 Å²	40.3	40%	0.396	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-90.1	143.9	-177.2	-68.6	179.9	176.3	-175	0	112.4	G8 D9 F137 G138 D140 K144	G8-K142 VanDerWaalsContact O-CD 3.32Å; G8-K142 WeakPolarHBondContact O-CD 3.37Å; G8-K142 WeakPolarHBondContact O-CG 3.21Å; D9-K142 CarbonylContact O-C 3.58Å; D9-K142 VanDerWaalsContact O-CA 3.25Å; D9-K142 WeakPolarHBondContact O-CA 3.39Å; F137-K142 WeakPolarHBondContact CA-O 3.16Å; G138-K142 PolarHBondContact N-O 2.66Å; D140-K142 PolarHBondContact O-N 3.39Å; D140-K142 PolarHBondContact OD1-N 2.95Å; K142-K144 WeakPolarHBondContact O-CE 3.28Å; K142-K144 PolarHBondContact O-N 2.96Å
143	L	98.8	Very high	97.3	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	125.9	174.5	-175.5	66.9	0	0	0	110.4	L5 L6 L7 G8 D9 F135 F137 L145	L5-L143 HydrophobicContact CB-CD2 3.78Å; L6-L143 WeakPolarHBondContact O-CD2 3.16Å; L7-L143 HydrophobicContact CD2-CG 4.42Å; G8-L143 PolarHBondContact N-O 3.17Å; D9-L143 PolarHBondContact O-N 3.34Å; F135-L143 HydrophobicContact CB-CD1 3.8Å; F135-L143 HydrophobicContact CD1-CD1 3.63Å; F135-L143 HydrophobicContact CD1-CD2 4.2Å; F135-L143 HydrophobicContact CG-CD1 4.15Å; F137-L143 HydrophobicContact CD1-CB 4.19Å; F137-L143 HydrophobicContact CD1-CD1 4.14Å; F137-L143 HydrophobicContact CE1-CB 4Å; F137-L143 HydrophobicContact CE1-CD1 3.76Å; F137-L143 HydrophobicContact CE1-CG 4.5Å; F137-L143 HydrophobicContact CZ-CD1 4.27Å; L143-L145 VanDerWaalsContact CD1-O 3.32Å; L143-L145 WeakPolarHBondContact CD1-O 3.43Å
144	K	98.8	Very high	97.3	Very high	64 Å²	64	44.6 Å²	44.6	28%	0.278	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-29.7	179.9	-53.5	-55.2	179.2	-176	0	112.8	L7 W33 V136 D140 K142 L167	L7-K144 WeakPolarHBondContact CD2-O 3.32Å; W33-K144 HydrophobicContact CH2-CG 4.19Å; W33-K144 HydrophobicContact CZ3-CB 4.19Å; W33-K144 HydrophobicContact CZ3-CG 3.71Å; V136-K144 PolarHBondContact O-N 3.49Å; D140-K144 WeakPolarHBondContact OD1-CE 3.31Å; D140-K144 IonicContact OD1-NZ 3.3Å; D140-K144 PolarHBondContact OD1-NZ 3.34Å; D140-K144 IonicContact OD2-NZ 3.08Å; D140-K144 PolarHBondContact OD2-NZ 3.23Å; K142-K144 WeakPolarHBondContact O-CE 3.28Å; K142-K144 PolarHBondContact O-N 2.96Å; K144-L167 HydrophobicContact CB-CD1 4Å; K144-L167 HydrophobicContact CB-CD2 4.02Å
145	L	98.8	Very high	97.3	Very high	38 Å²	38	45.6 Å²	45.6	20%	0.199	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	144.2	179.4	-178.3	147.2	0	0	0	109.8	V136 L143 I147 V163 L167	V136-L145 HydrophobicContact CB-CB 4.22Å; V136-L145 HydrophobicContact CG2-CB 4.29Å; V136-L145 HydrophobicContact CG2-CD2 4.03Å; V136-L145 PolarHBondContact N-O 3.47Å; V136-L145 PolarHBondContact O-N 3.07Å; L143-L145 VanDerWaalsContact CD1-O 3.32Å; L143-L145 WeakPolarHBondContact CD1-O 3.43Å; L145-I147 HydrophobicContact CD2-CD1 4.02Å; L145-I147 HydrophobicContact CD2-CG1 3.68Å; L145-V163 HydrophobicContact CD1-CB 3.79Å; L145-V163 HydrophobicContact CD1-CG1 4.02Å; L145-V163 HydrophobicContact CD1-CG2 3.84Å; L145-V163 HydrophobicContact CD2-CG2 4.25Å; L145-L167 HydrophobicContact CB-CD1 4Å
146	S	98.4	Very high	97.2	Very high	59 Å²	59	49.2 Å²	49.2	41%	0.413	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147	169.9	60.8	0	0	0	0	111.8	V134	V134-S146 CarbonylContact O-C 3.56Å; V134-S146 WeakPolarHBondContact O-CA 3.38Å
147	I	97.7	Very high	97.2	Very high	37 Å²	37	49.5 Å²	49.5	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.6	173.6	-54.4	176.3	0	0	0	107.8	V133 V134 L145 Y149 I160	V133-I147 CarbonylContact C-O 3.47Å; V133-I147 VanDerWaalsContact CA-O 3.28Å; V133-I147 WeakPolarHBondContact CA-O 3.47Å; V134-I147 HydrophobicContact CB-CB 4.31Å; V134-I147 PolarHBondContact N-O 3.31Å; V134-I147 PolarHBondContact O-N 3.24Å; L145-I147 HydrophobicContact CD2-CD1 4.02Å; L145-I147 HydrophobicContact CD2-CG1 3.68Å; I147-Y149 HydrophobicContact CG2-CD1 3.32Å; I147-Y149 HydrophobicContact CG2-CE1 3.2Å; I147-Y149 HydrophobicContact CG2-CG 4.39Å; I147-I160 HydrophobicContact CD1-CG1 4.49Å
148	L	96.9	Very high	97.2	Very high	120 Å²	120	53.5 Å²	53.5	63%	0.628	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	108.6	175.4	-175.9	143.7	0	0	0	109.1	V133	V133-L148 HydrophobicContact CG2-CD1 4.1Å; V133-L148 HydrophobicContact CG2-CG 4.2Å
149	Y	96.9	Very high	97.2	Very high	78 Å²	78	56.6 Å²	56.6	31%	0.306	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.4	174.5	-81.9	29.7	0	0	0	109.5	R132 I147 T153 R155	R132-Y149 WeakPolarHBondContact CA-O 3.39Å; R132-Y149 WeakPolarHBondContact CB-O 3.45Å; R132-Y149 PolarHBondContact N-O 3.34Å; R132-Y149 PolarHBondContact O-N 3.27Å; I147-Y149 HydrophobicContact CG2-CD1 3.32Å; I147-Y149 HydrophobicContact CG2-CE1 3.2Å; I147-Y149 HydrophobicContact CG2-CG 4.39Å; Y149-T153 HydrophobicContact CD2-CG2 3.86Å; Y149-T153 HydrophobicContact CE2-CG2 4.15Å; Y149-R155 HydrophobicContact CD2-CB 4.45Å; Y149-R155 HydrophobicContact CD2-CG 3.74Å; Y149-R155 HydrophobicContact CE2-CG 4.3Å; Y149-R155 HydrophobicContact CG-CG 4.05Å
150	P	93.4	Very high	97.2	Very high	59 Å²	59	54.5 Å²	54.5	38%	0.383	30%	0.297	S	S	.	.			trans	-70.4	162.4	173.1	32.1	-36.1	0	0	0	110.8	R132 T152 T153	R132-P150 WeakPolarHBondContact CD-O 3.43Å; P150-T152 PolarHBondContact O-N 3.02Å; P150-T153 PolarHBondContact O-N 3.36Å; P150-T153 VanDerWaalsContact O-N 3.12Å
151	A	89.6	Confident	97.2	Very high	14 Å²	14	51.9 Å²	51.9	12%	0.116	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.2	176.7	0	0	0	0	0	113.7	P40 E121 R132 T153	P40-A151 HydrophobicContact CB-CB 4.37Å; P40-A151 HydrophobicContact CG-CB 3.62Å; E121-A151 HydrophobicContact CG-CB 3.7Å; R132-A151 VanDerWaalsContact CZ-O 3.29Å; R132-A151 PolarHBondContact NE-O 2.66Å; R132-A151 PolarHBondContact NH2-O 3.37Å; A151-T153 VanDerWaalsContact C-N 3.33Å; A151-T153 PolarHBondContact O-N 2.93Å
152	T	91.3	Very high	97.2	Very high	109 Å²	109	53.3 Å²	53.3	67%	0.669	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.4	-177.5	57.9	0	0	0	0	114.7	P150	P150-T152 PolarHBondContact O-N 3.02Å
153	T	96.6	Very high	97.2	Very high	65 Å²	65	49.5 Å²	49.5	40%	0.399	27%	0.272	S	S	.	.	S	Bend	trans	-120	107.8	-173.9	-53.5	0	0	0	0	111.1	R132 Y149 P150 A151	R132-T153 WeakPolarHBondContact CD-O 3.45Å; Y149-T153 HydrophobicContact CD2-CG2 3.86Å; Y149-T153 HydrophobicContact CE2-CG2 4.15Å; P150-T153 PolarHBondContact O-N 3.36Å; P150-T153 VanDerWaalsContact O-N 3.12Å; A151-T153 VanDerWaalsContact C-N 3.33Å; A151-T153 PolarHBondContact O-N 2.93Å
154	G	96.8	Very high	97.2	Very high	38 Å²	38	49.4 Å²	49.4	39%	0.392	27%	0.272	S	S	.	.			trans	-63.5	142	173.9	0	0	0	0	0	112.3
155	R	98.6	Very high	97.2	Very high	21 Å²	21	47.4 Å²	47.4	8%	0.079	26%	0.264	C	S	.	.			trans	-79.3	151.5	-177	-69.6	166.4	-73.3	-162.7	-4.5	112.4	S38 E50 R132 V133 Y149 F157	S38-R155 PolarHBondContact O-NH1 3.14Å; S38-R155 PolarHBondContact O-NH2 3.03Å; E50-R155 WeakPolarHBondContact OE1-CB 3.3Å; E50-R155 WeakPolarHBondContact OE1-CG 3.48Å; E50-R155 IonicContact OE1-CZ 2.74Å; E50-R155 PolarHBondContact OE1-N 3.31Å; E50-R155 IonicContact OE1-NE 3.69Å; E50-R155 PolarHBondContact OE1-NE 2.9Å; E50-R155 IonicContact OE1-NH2 3.7Å; E50-R155 IonicContact OE2-CZ 2.8Å; E50-R155 IonicContact OE2-NE 3.91Å; E50-R155 PolarHBondContact OE2-NE 3.44Å; E50-R155 IonicContact OE2-NH2 3.67Å; E50-R155 PolarHBondContact OE2-NH2 3.26Å; R132-R155 HydrophobicContact CB-CG 4.37Å; V133-R155 PolarHBondContact O-NH1 3.26Å; Y149-R155 HydrophobicContact CD2-CB 4.45Å; Y149-R155 HydrophobicContact CD2-CG 3.74Å; Y149-R155 HydrophobicContact CE2-CG 4.3Å; Y149-R155 HydrophobicContact CG-CG 4.05Å; R155-F157 HydrophobicContact CB-CE2 4.38Å
156	N	98.6	Very high	97.2	Very high	85 Å²	85	46.2 Å²	46.2	46%	0.455	26%	0.259	S	S	.	.			trans	-91.4	103.8	170.9	-175.7	-11	0	0	0	110.4	D158 E159 I160	N156-D158 VanDerWaalsContact C-N 3.31Å; N156-D158 PolarHBondContact O-N 3.01Å; N156-D158 WeakPolarHBondContact OD1-CB 3.32Å; N156-D158 PolarHBondContact OD1-N 3.37Å; N156-E159 HydrophobicContact CB-CB 4.1Å; N156-E159 WeakPolarHBondContact O-CB 3.47Å; N156-E159 PolarHBondContact O-N 3.09Å; N156-E159 PolarHBondContact OD1-N 2.85Å; N156-I160 PolarHBondContact O-N 3.49Å
157	F	98.4	Very high	97.3	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-73.1	-19.8	178	-84.3	-101.1	0	0	0	114.2	F37 E50 R53 A54 L57 R155 E159 I160 L161	F37-F157 HydrophobicContact CD2-CZ 4.39Å; F37-F157 HydrophobicContact CE2-CZ 4.46Å; E50-F157 HydrophobicContact CB-CE2 3.96Å; E50-F157 HydrophobicContact CG-CE2 4.19Å; R53-F157 HydrophobicContact CG-CB 3.86Å; R53-F157 HydrophobicContact CG-CD2 4.37Å; R53-F157 HydrophobicContact CG-CG 4.2Å; A54-F157 HydrophobicContact CB-CD1 4.16Å; A54-F157 HydrophobicContact CB-CE1 3.5Å; A54-F157 VanDerWaalsContact CB-CE1 3.5Å; A54-F157 HydrophobicContact CB-CZ 3.85Å; L57-F157 HydrophobicContact CD1-CB 3.71Å; R155-F157 HydrophobicContact CB-CE2 4.38Å; F157-E159 VanDerWaalsContact C-N 3.31Å; F157-I160 HydrophobicContact CD1-CD1 4.03Å; F157-I160 HydrophobicContact CD2-CD1 4.36Å; F157-I160 HydrophobicContact CE1-CD1 4.17Å; F157-I160 HydrophobicContact CE2-CD1 4.49Å; F157-I160 HydrophobicContact CG-CD1 4.14Å; F157-I160 HydrophobicContact CZ-CD1 4.41Å; F157-I160 PolarHBondContact O-N 3.41Å; F157-L161 PolarHBondContact O-N 2.85Å
158	D	98.4	Very high	97.3	Very high	85 Å²	85	44.5 Å²	44.5	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-68.9	-36.8	172.4	-60.4	-21.8	0	0	0	109.9	R53 N156 L161 R162	R53-D158 IonicContact CZ-OD1 2.73Å; R53-D158 IonicContact NE-OD1 2.66Å; R53-D158 IonicContact NH2-OD1 3.66Å; R53-D158 PolarHBondContact NH2-OD1 3.35Å; R53-D158 IonicContact NH2-OD2 3.48Å; N156-D158 VanDerWaalsContact C-N 3.31Å; N156-D158 PolarHBondContact O-N 3.01Å; N156-D158 WeakPolarHBondContact OD1-CB 3.32Å; N156-D158 PolarHBondContact OD1-N 3.37Å; D158-L161 PolarHBondContact O-N 2.72Å; D158-R162 WeakPolarHBondContact O-CB 3.42Å; D158-R162 PolarHBondContact O-N 2.95Å
159	E	98.8	Very high	97.4	Very high	66 Å²	66	39.7 Å²	39.7	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-42.5	172.2	177.8	58.1	-162.9	0	0	111.6	N156 F157 L161 R162 V163	N156-E159 HydrophobicContact CB-CB 4.1Å; N156-E159 WeakPolarHBondContact O-CB 3.47Å; N156-E159 PolarHBondContact O-N 3.09Å; N156-E159 PolarHBondContact OD1-N 2.85Å; F157-E159 VanDerWaalsContact C-N 3.31Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.67Å; E159-R162 VanDerWaalsContact CD-NE 3.34Å; E159-R162 WeakPolarHBondContact O-CB 3.46Å; E159-R162 PolarHBondContact O-N 3.24Å; E159-R162 VanDerWaalsContact O-N 3.17Å; E159-R162 IonicContact OE1-CZ 3.24Å; E159-R162 IonicContact OE1-NE 3.45Å; E159-R162 PolarHBondContact OE1-NE 3.49Å; E159-R162 IonicContact OE1-NH2 2.67Å; E159-R162 PolarHBondContact OE1-NH2 2.73Å; E159-R162 WeakPolarHBondContact OE2-CD 3.35Å; E159-R162 IonicContact OE2-CZ 3.27Å; E159-R162 IonicContact OE2-NE 3.65Å; E159-R162 PolarHBondContact OE2-NE 3.13Å; E159-R162 IonicContact OE2-NH2 2.67Å; E159-V163 WeakPolarHBondContact O-CG2 3.16Å; E159-V163 PolarHBondContact O-N 3.5Å; E159-V163 WeakPolarHBondContact OE1-CG1 3.31Å
160	I	98.8	Very high	97.5	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-44.5	176	-63.2	170.9	0	0	0	110.4	I35 F61 V134 I147 N156 F157 V163 V164	I35-I160 HydrophobicContact CD1-CG2 3.91Å; F61-I160 HydrophobicContact CE1-CG2 4.18Å; F61-I160 HydrophobicContact CZ-CG2 4.06Å; V134-I160 HydrophobicContact CG1-CD1 4.39Å; V134-I160 HydrophobicContact CG2-CD1 3.94Å; I147-I160 HydrophobicContact CD1-CG1 4.49Å; N156-I160 PolarHBondContact O-N 3.49Å; F157-I160 HydrophobicContact CD1-CD1 4.03Å; F157-I160 HydrophobicContact CD2-CD1 4.36Å; F157-I160 HydrophobicContact CE1-CD1 4.17Å; F157-I160 HydrophobicContact CE2-CD1 4.49Å; F157-I160 HydrophobicContact CG-CD1 4.14Å; F157-I160 HydrophobicContact CZ-CD1 4.41Å; F157-I160 PolarHBondContact O-N 3.41Å; I160-V163 VanDerWaalsContact O-CG2 3.22Å; I160-V163 WeakPolarHBondContact O-CG2 3.25Å; I160-V164 VanDerWaalsContact O-CG2 3.31Å; I160-V164 WeakPolarHBondContact O-CG2 3.32Å; I160-V164 PolarHBondContact O-N 3.44Å; I160-V164 VanDerWaalsContact O-N 3.15Å
161	L	98.8	Very high	97.6	Very high	21 Å²	21	39 Å²	39	11%	0.11	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-42.7	175.4	-177	60	0	0	0	111.8	E60 F61 F157 D158 E159 V163 V164 I165	E60-L161 HydrophobicContact CB-CD1 4.32Å; E60-L161 HydrophobicContact CB-CD2 4.01Å; E60-L161 HydrophobicContact CG-CD2 4.4Å; F61-L161 HydrophobicContact CD1-CD1 4.09Å; F61-L161 HydrophobicContact CE1-CB 4.23Å; F61-L161 HydrophobicContact CE1-CD1 3.87Å; F61-L161 HydrophobicContact CZ-CB 4.03Å; F61-L161 HydrophobicContact CZ-CD1 4.23Å; F157-L161 PolarHBondContact O-N 2.85Å; D158-L161 PolarHBondContact O-N 2.72Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.67Å; L161-V163 PolarHBondContact O-N 3.13Å; L161-V164 WeakPolarHBondContact O-CB 3.41Å; L161-V164 PolarHBondContact O-N 2.95Å; L161-I165 HydrophobicContact CG-CD1 4.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.49Å; L161-I165 PolarHBondContact O-N 3.31Å; L161-I165 VanDerWaalsContact O-N 3.1Å
162	R	98.8	Very high	98	Very high	57 Å²	57	45.4 Å²	45.4	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-45.9	178.7	-169.5	-160.2	75.1	73.8	5.4	111.8	D158 E159 I165 S166 W181	D158-R162 WeakPolarHBondContact O-CB 3.42Å; D158-R162 PolarHBondContact O-N 2.95Å; E159-R162 VanDerWaalsContact CD-NE 3.34Å; E159-R162 WeakPolarHBondContact O-CB 3.46Å; E159-R162 PolarHBondContact O-N 3.24Å; E159-R162 VanDerWaalsContact O-N 3.17Å; E159-R162 IonicContact OE1-CZ 3.24Å; E159-R162 IonicContact OE1-NE 3.45Å; E159-R162 PolarHBondContact OE1-NE 3.49Å; E159-R162 IonicContact OE1-NH2 2.67Å; E159-R162 PolarHBondContact OE1-NH2 2.73Å; E159-R162 WeakPolarHBondContact OE2-CD 3.35Å; E159-R162 IonicContact OE2-CZ 3.27Å; E159-R162 IonicContact OE2-NE 3.65Å; E159-R162 PolarHBondContact OE2-NE 3.13Å; E159-R162 IonicContact OE2-NH2 2.67Å; R162-I165 PolarHBondContact O-N 3.06Å; R162-S166 PolarHBondContact O-N 3.48Å; R162-W181 WeakPolarHBondContact CD-O 3.32Å; R162-W181 HydrophobicContact CG-CE3 4.41Å; R162-W181 HydrophobicContact CG-CZ3 4.47Å; R162-W181 PolarHBondContact NH1-O 3.3Å
163	V	98.8	Very high	98.3	Very high	11 Å²	11	44.4 Å²	44.4	7%	0.067	24%	0.244	C	C	.	.	H	α-helix	trans	-70.1	-31.7	178.7	-62	0	0	0	0	112.5	L145 E159 I160 L161 I165 S166 L167	L145-V163 HydrophobicContact CD1-CB 3.79Å; L145-V163 HydrophobicContact CD1-CG1 4.02Å; L145-V163 HydrophobicContact CD1-CG2 3.84Å; L145-V163 HydrophobicContact CD2-CG2 4.25Å; E159-V163 WeakPolarHBondContact O-CG2 3.16Å; E159-V163 PolarHBondContact O-N 3.5Å; E159-V163 WeakPolarHBondContact OE1-CG1 3.31Å; I160-V163 VanDerWaalsContact O-CG2 3.22Å; I160-V163 WeakPolarHBondContact O-CG2 3.25Å; L161-V163 PolarHBondContact O-N 3.13Å; V163-I165 VanDerWaalsContact C-N 3.34Å; V163-S166 PolarHBondContact O-N 2.92Å; V163-L167 WeakPolarHBondContact O-CB 3.42Å; V163-L167 WeakPolarHBondContact O-CG 3.27Å; V163-L167 PolarHBondContact O-N 2.75Å
164	V	98.8	Very high	98.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-46.3	171.3	162.4	0	0	0	0	110.9	I35 F61 V66 V136 I160 L161 S166 L167 Q168	I35-V164 HydrophobicContact CD1-CG2 3.85Å; F61-V164 HydrophobicContact CE1-CG2 4.18Å; V66-V164 HydrophobicContact CG2-CG1 3.72Å; V136-V164 HydrophobicContact CG1-CG2 4.43Å; I160-V164 VanDerWaalsContact O-CG2 3.31Å; I160-V164 WeakPolarHBondContact O-CG2 3.32Å; I160-V164 PolarHBondContact O-N 3.44Å; I160-V164 VanDerWaalsContact O-N 3.15Å; L161-V164 WeakPolarHBondContact O-CB 3.41Å; L161-V164 PolarHBondContact O-N 2.95Å; V164-S166 VanDerWaalsContact C-N 3.33Å; V164-S166 PolarHBondContact O-N 2.94Å; V164-L167 PolarHBondContact O-N 3.2Å; V164-Q168 WeakPolarHBondContact O-CG 3.14Å; V164-Q168 PolarHBondContact O-N 2.78Å
165	I	98.8	Very high	98.4	Very high	22 Å²	22	45.1 Å²	45.1	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-43.9	178.5	-60	164.8	0	0	0	110	L161 R162 V163 Q168 L169 W181 D183	L161-I165 HydrophobicContact CG-CD1 4.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.49Å; L161-I165 PolarHBondContact O-N 3.31Å; L161-I165 VanDerWaalsContact O-N 3.1Å; R162-I165 PolarHBondContact O-N 3.06Å; V163-I165 VanDerWaalsContact C-N 3.34Å; I165-Q168 PolarHBondContact O-N 2.73Å; I165-L169 VanDerWaalsContact O-CB 3.3Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.16Å; I165-W181 HydrophobicContact CB-CH2 4.36Å; I165-W181 HydrophobicContact CB-CZ3 4.42Å; I165-W181 HydrophobicContact CG2-CH2 3.72Å; I165-W181 HydrophobicContact CG2-CZ3 4.26Å; I165-D183 HydrophobicContact CD1-CB 4.27Å; I165-D183 HydrophobicContact CG2-CB 4.3Å
166	S	98.9	Very high	98.4	Very high	14 Å²	14	45.9 Å²	45.9	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-47.6	175	172.1	0	0	0	0	112.5	R162 V163 V164 Q168 L169 T170 T177	R162-S166 PolarHBondContact O-N 3.48Å; V163-S166 PolarHBondContact O-N 2.92Å; V164-S166 VanDerWaalsContact C-N 3.33Å; V164-S166 PolarHBondContact O-N 2.94Å; S166-Q168 VanDerWaalsContact C-N 3.35Å; S166-Q168 PolarHBondContact O-N 3.5Å; S166-L169 PolarHBondContact O-N 2.66Å; S166-T170 WeakPolarHBondContact O-CB 3.5Å; S166-T170 VanDerWaalsContact O-CG2 3.27Å; S166-T170 WeakPolarHBondContact O-CG2 3.43Å; S166-T170 PolarHBondContact O-N 2.73Å; S166-T170 PolarHBondContact O-OG1 3.44Å; S166-T177 VanDerWaalsContact OG-CG2 3.31Å; S166-T177 WeakPolarHBondContact OG-CG2 3.32Å; S166-T177 PolarHBondContact OG-OG1 2.95Å
167	L	98.8	Very high	98.4	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.162	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-41.8	-179.7	-75.1	170.3	0	0	0	112	W33 V136 K144 L145 V163 V164 T170 A171	W33-L167 HydrophobicContact CH2-CB 3.88Å; W33-L167 HydrophobicContact CZ3-CB 3.93Å; W33-L167 HydrophobicContact CZ3-CD1 4.29Å; V136-L167 HydrophobicContact CB-CD1 4.35Å; V136-L167 HydrophobicContact CG1-CD1 3.9Å; K144-L167 HydrophobicContact CB-CD1 4Å; K144-L167 HydrophobicContact CB-CD2 4.02Å; L145-L167 HydrophobicContact CB-CD1 4Å; V163-L167 WeakPolarHBondContact O-CB 3.42Å; V163-L167 WeakPolarHBondContact O-CG 3.27Å; V163-L167 PolarHBondContact O-N 2.75Å; V164-L167 PolarHBondContact O-N 3.2Å; L167-T170 PolarHBondContact O-OG1 3.49Å; L167-A171 VanDerWaalsContact O-CB 3.31Å; L167-A171 WeakPolarHBondContact O-CB 3.37Å; L167-A171 PolarHBondContact O-N 3.12Å
168	Q	98.8	Very high	98.4	Very high	29 Å²	29	45 Å²	45	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-46	176.2	-70.8	-177.2	-21.8	0	0	111.7	W33 R64 V164 I165 S166 T170 A171 E172	W33-Q168 VanDerWaalsContact CD1-NE2 3.28Å; W33-Q168 HydrophobicContact CD2-CG 4.29Å; W33-Q168 HydrophobicContact CZ2-CG 3.88Å; R64-Q168 PolarHBondContact O-NE2 3.02Å; V164-Q168 WeakPolarHBondContact O-CG 3.14Å; V164-Q168 PolarHBondContact O-N 2.78Å; I165-Q168 PolarHBondContact O-N 2.73Å; S166-Q168 VanDerWaalsContact C-N 3.35Å; S166-Q168 PolarHBondContact O-N 3.5Å; Q168-T170 VanDerWaalsContact C-N 3.31Å; Q168-T170 PolarHBondContact O-N 2.97Å; Q168-A171 PolarHBondContact O-N 3.49Å; Q168-E172 PolarHBondContact O-N 2.83Å; Q168-E172 VanDerWaalsContact O-N 3.13Å
169	L	98.6	Very high	98.4	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.099	25%	0.251	C	S	.	.	H	α-helix	trans	-57.6	-45	177.6	177.6	62	0	0	0	111.8	I165 S166 E172 K173 V175 T177 W181 V187 Q223	I165-L169 VanDerWaalsContact O-CB 3.3Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.16Å; S166-L169 PolarHBondContact O-N 2.66Å; L169-E172 PolarHBondContact O-N 2.9Å; L169-K173 HydrophobicContact CD1-CB 4.31Å; L169-K173 HydrophobicContact CD1-CG 3.86Å; L169-K173 WeakPolarHBondContact O-CA 3.49Å; L169-K173 WeakPolarHBondContact O-CB 3.34Å; L169-K173 PolarHBondContact O-N 3.06Å; L169-V175 HydrophobicContact CD2-CG2 4.42Å; L169-V175 HydrophobicContact CG-CG2 4.1Å; L169-T177 HydrophobicContact CD2-CG2 4.29Å; L169-W181 HydrophobicContact CD2-CH2 4.44Å; L169-W181 HydrophobicContact CD2-CZ2 3.95Å; L169-V187 HydrophobicContact CD2-CG1 3.95Å; L169-Q223 HydrophobicContact CD1-CG 4.25Å; L169-Q223 HydrophobicContact CD2-CG 4Å
170	T	98.3	Very high	98.4	Very high	50 Å²	50	50.1 Å²	50.1	31%	0.307	27%	0.271	S	S	.	.	H	α-helix	trans	-78.3	-19.2	-177.4	57.6	0	0	0	0	113.5	S166 L167 Q168 K173 V175	S166-T170 WeakPolarHBondContact O-CB 3.5Å; S166-T170 VanDerWaalsContact O-CG2 3.27Å; S166-T170 WeakPolarHBondContact O-CG2 3.43Å; S166-T170 PolarHBondContact O-N 2.73Å; S166-T170 PolarHBondContact O-OG1 3.44Å; L167-T170 PolarHBondContact O-OG1 3.49Å; Q168-T170 VanDerWaalsContact C-N 3.31Å; Q168-T170 PolarHBondContact O-N 2.97Å; T170-K173 CarbonylContact C-O 3.5Å; T170-V175 VanDerWaalsContact CG2-O 3.31Å; T170-V175 WeakPolarHBondContact CG2-O 3.36Å
171	A	97.3	Very high	98.4	Very high	73 Å²	73	50 Å²	50	60%	0.603	27%	0.27	S	S	*	.	H	α-helix	trans	-73.7	-36.7	169.1	0	0	0	0	0	111.9	W33 L167 Q168	W33-A171 HydrophobicContact CZ2-CB 4.41Å; L167-A171 VanDerWaalsContact O-CB 3.31Å; L167-A171 WeakPolarHBondContact O-CB 3.37Å; L167-A171 PolarHBondContact O-N 3.12Å; Q168-A171 PolarHBondContact O-N 3.49Å
172	E	96.6	Very high	98.4	Very high	148 Å²	148	55.7 Å²	55.7	69%	0.692	29%	0.294	S	S	*	.	H	α-helix	trans	-90.7	-32.2	-176.9	-67.3	179.6	-164.3	0	0	113.8	Q168 L169	Q168-E172 PolarHBondContact O-N 2.83Å; Q168-E172 VanDerWaalsContact O-N 3.13Å; L169-E172 PolarHBondContact O-N 2.9Å
173	K	97.4	Very high	98.3	Very high	88 Å²	88	57.2 Å²	57.2	38%	0.383	31%	0.307	S	S	.	.	S	Bend	trans	-119.8	142.1	-175.8	-53.1	-60.6	179.6	-172.9	0	109.9	L169 T170 V175 P224	L169-K173 HydrophobicContact CD1-CB 4.31Å; L169-K173 HydrophobicContact CD1-CG 3.86Å; L169-K173 WeakPolarHBondContact O-CA 3.49Å; L169-K173 WeakPolarHBondContact O-CB 3.34Å; L169-K173 PolarHBondContact O-N 3.06Å; T170-K173 CarbonylContact C-O 3.5Å; K173-V175 HydrophobicContact CB-CG2 3.93Å; K173-V175 PolarHBondContact O-N 2.91Å; K173-P224 HydrophobicContact CB-CG 4.4Å; K173-P224 HydrophobicContact CD-CB 4.13Å; K173-P224 HydrophobicContact CG-CB 4.17Å; K173-P224 HydrophobicContact CG-CG 4.35Å
174	R	97.4	Very high	98.3	Very high	113 Å²	113	59.4 Å²	59.4	43%	0.426	33%	0.331	S	S	.	.	S	Bend	trans	-78.2	58.9	179	-61.7	-178.2	66.8	-166.3	-2.8	112	L190 I193 E197 F202	R174-L190 HydrophobicContact CB-CD1 4.03Å; R174-L190 WeakPolarHBondContact O-CG 3.48Å; R174-I193 HydrophobicContact CB-CD1 3.78Å; R174-I193 WeakPolarHBondContact O-CD1 3.38Å; R174-E197 IonicContact CZ-OE1 3.67Å; R174-E197 IonicContact NH1-OE1 2.66Å; R174-E197 PolarHBondContact NH1-OE1 3.08Å; R174-F202 WeakPolarHBondContact O-CZ 3.48Å
175	V	98.5	Very high	98.3	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.024	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	171.1	-179.5	-60.8	0	0	0	0	110.4	L169 T170 K173 V187 M188 F202 T221 P224	L169-V175 HydrophobicContact CD2-CG2 4.42Å; L169-V175 HydrophobicContact CG-CG2 4.1Å; T170-V175 VanDerWaalsContact CG2-O 3.31Å; T170-V175 WeakPolarHBondContact CG2-O 3.36Å; K173-V175 HydrophobicContact CB-CG2 3.93Å; K173-V175 PolarHBondContact O-N 2.91Å; V175-V187 HydrophobicContact CB-CB 4.14Å; V175-V187 HydrophobicContact CB-CG2 3.73Å; V175-V187 HydrophobicContact CG1-CG2 3.74Å; V175-V187 HydrophobicContact CG2-CB 4.3Å; V175-V187 HydrophobicContact CG2-CG2 3.99Å; V175-M188 CarbonylContact C-O 3.53Å; V175-M188 VanDerWaalsContact CA-O 3.27Å; V175-M188 WeakPolarHBondContact CA-O 3.34Å; V175-M188 WeakPolarHBondContact CB-O 3.25Å; V175-F202 HydrophobicContact CG1-CD1 4.38Å; V175-F202 HydrophobicContact CG1-CE1 3.38Å; V175-F202 HydrophobicContact CG1-CZ 3.64Å; V175-T221 HydrophobicContact CG1-CG2 4.32Å; V175-P224 HydrophobicContact CG1-CG 4.1Å
176	A	98.7	Very high	98.3	Very high	38 Å²	38	64.6 Å²	64.6	31%	0.314	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.9	168.7	0	0	0	0	0	110	M188 L190	A176-M188 HydrophobicContact CB-CB 4.45Å; A176-M188 PolarHBondContact N-O 2.88Å; A176-M188 WeakPolarHBondContact O-CA 3.38Å; A176-M188 WeakPolarHBondContact O-CB 3.34Å; A176-M188 PolarHBondContact O-N 3.09Å; A176-L190 HydrophobicContact CB-CD2 4.01Å
177	T	98.8	Very high	98.3	Very high	32 Å²	32	63.9 Å²	63.9	20%	0.196	36%	0.359	C	S	.	.			trans	-81.2	131.2	177.4	57.5	0	0	0	0	110.7	S166 L169 W181 V187	S166-T177 VanDerWaalsContact OG-CG2 3.31Å; S166-T177 WeakPolarHBondContact OG-CG2 3.32Å; S166-T177 PolarHBondContact OG-OG1 2.95Å; L169-T177 HydrophobicContact CD2-CG2 4.29Å; T177-W181 HydrophobicContact CG2-CD2 3.48Å; T177-W181 VanDerWaalsContact CG2-CD2 3.48Å; T177-W181 HydrophobicContact CG2-CE3 3.71Å; T177-W181 HydrophobicContact CG2-CG 3.91Å; T177-W181 HydrophobicContact CG2-CH2 4.29Å; T177-W181 HydrophobicContact CG2-CZ2 4.06Å; T177-W181 HydrophobicContact CG2-CZ3 4.13Å; T177-V187 HydrophobicContact CG2-CG1 4.29Å
178	P	98.7	Very high	98.3	Very high	39 Å²	39	63.9 Å²	63.9	25%	0.253	36%	0.359	S	S	.	.			trans	-69.6	176.7	177.2	29.2	-35.2	0	0	0	112.8	W181 S186 M188	P178-W181 HydrophobicContact CG-CB 4.05Å; P178-W181 HydrophobicContact CG-CG 4.48Å; P178-W181 WeakPolarHBondContact O-CB 3.25Å; P178-W181 PolarHBondContact O-N 2.83Å; P178-S186 WeakPolarHBondContact CD-O 3.35Å; P178-S186 WeakPolarHBondContact CG-O 3.46Å; P178-M188 HydrophobicContact CB-CG 4.08Å; P178-M188 HydrophobicContact CB-SD 4.12Å; P178-M188 HydrophobicContact CG-SD 4.49Å
179	V	98.5	Very high	98.3	Very high	124 Å²	124	62.7 Å²	62.7	75%	0.752	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	141.7	171	67	0	0	0	0	110.6	W181	V179-W181 PolarHBondContact O-N 2.84Å
180	D	98.3	Very high	98.2	Very high	135 Å²	135	64.1 Å²	64.1	72%	0.722	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	16.1	-180	-54.6	-29	0	0	0	115.8	K182	D180-K182 PolarHBondContact O-N 2.72Å
181	W	98.8	Very high	98.2	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.008	38%	0.377	C	S	.	.			trans	-57.2	133.7	-179.7	173.1	87.4	0	0	0	112.2	R162 I165 L169 T177 P178 V179 D183 D185	R162-W181 WeakPolarHBondContact CD-O 3.32Å; R162-W181 HydrophobicContact CG-CE3 4.41Å; R162-W181 HydrophobicContact CG-CZ3 4.47Å; R162-W181 PolarHBondContact NH1-O 3.3Å; I165-W181 HydrophobicContact CB-CH2 4.36Å; I165-W181 HydrophobicContact CB-CZ3 4.42Å; I165-W181 HydrophobicContact CG2-CH2 3.72Å; I165-W181 HydrophobicContact CG2-CZ3 4.26Å; L169-W181 HydrophobicContact CD2-CH2 4.44Å; L169-W181 HydrophobicContact CD2-CZ2 3.95Å; T177-W181 HydrophobicContact CG2-CD2 3.48Å; T177-W181 VanDerWaalsContact CG2-CD2 3.48Å; T177-W181 HydrophobicContact CG2-CE3 3.71Å; T177-W181 HydrophobicContact CG2-CG 3.91Å; T177-W181 HydrophobicContact CG2-CH2 4.29Å; T177-W181 HydrophobicContact CG2-CZ2 4.06Å; T177-W181 HydrophobicContact CG2-CZ3 4.13Å; P178-W181 HydrophobicContact CG-CB 4.05Å; P178-W181 HydrophobicContact CG-CG 4.48Å; P178-W181 WeakPolarHBondContact O-CB 3.25Å; P178-W181 PolarHBondContact O-N 2.83Å; V179-W181 PolarHBondContact O-N 2.84Å; W181-D183 HydrophobicContact CH2-CB 4.16Å; W181-D185 HydrophobicContact CG-CB 4.39Å; W181-D185 PolarHBondContact NE1-O 3.34Å; W181-D185 VanDerWaalsContact NE1-O 3.16Å
182	K	98.4	Very high	98.1	Very high	141 Å²	141	68.1 Å²	68.1	61%	0.613	38%	0.38	S	S	*	.			trans	-110.3	155.8	171.5	-54.5	-179.8	-175.8	-173.6	0	110.6	D180 G184 D185	D180-K182 PolarHBondContact O-N 2.72Å; K182-G184 PolarHBondContact O-N 2.74Å; K182-D185 WeakPolarHBondContact CB-OD2 3.26Å; K182-D185 PolarHBondContact N-OD2 3.43Å; K182-D185 VanDerWaalsContact O-CB 3.24Å; K182-D185 WeakPolarHBondContact O-CB 3.38Å; K182-D185 PolarHBondContact O-N 2.81Å
183	D	98.3	Very high	98.1	Very high	88 Å²	88	61.2 Å²	61.2	47%	0.471	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	125.6	175.6	-169.8	21.2	0	0	0	110.8	I165 W181 Q223	I165-D183 HydrophobicContact CD1-CB 4.27Å; I165-D183 HydrophobicContact CG2-CB 4.3Å; W181-D183 HydrophobicContact CH2-CB 4.16Å; D183-Q223 PolarHBondContact OD1-NE2 2.8Å
184	G	98	Very high	98.1	Very high	57 Å²	57	60.7 Å²	60.7	59%	0.588	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	-17.2	-172.2	0	0	0	0	0	115.1	K182 Q223	K182-G184 PolarHBondContact O-N 2.74Å; G184-Q223 VanDerWaalsContact CA-OE1 3.24Å
185	D	98.7	Very high	97.9	Very high	73 Å²	73	58.7 Å²	58.7	39%	0.39	35%	0.349	S	S	.	.	S	Bend	trans	-70.7	161	179.1	-72.2	-19.8	0	0	0	112.1	W181 K182	W181-D185 HydrophobicContact CG-CB 4.39Å; W181-D185 PolarHBondContact NE1-O 3.34Å; W181-D185 VanDerWaalsContact NE1-O 3.16Å; K182-D185 WeakPolarHBondContact CB-OD2 3.26Å; K182-D185 PolarHBondContact N-OD2 3.43Å; K182-D185 VanDerWaalsContact O-CB 3.24Å; K182-D185 WeakPolarHBondContact O-CB 3.38Å; K182-D185 PolarHBondContact O-N 2.81Å
186	S	98.6	Very high	97.7	Very high	58 Å²	58	64.1 Å²	64.1	41%	0.406	37%	0.373	S	S	.	.			trans	-60.8	145.2	173	-68.1	0	0	0	0	112.1	P178	P178-S186 WeakPolarHBondContact CD-O 3.35Å; P178-S186 WeakPolarHBondContact CG-O 3.46Å
187	V	98.8	Very high	97.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	165.5	179.6	-63.8	0	0	0	0	111.3	L169 V175 T177 Y220 T221	L169-V187 HydrophobicContact CD2-CG1 3.95Å; V175-V187 HydrophobicContact CB-CB 4.14Å; V175-V187 HydrophobicContact CB-CG2 3.73Å; V175-V187 HydrophobicContact CG1-CG2 3.74Å; V175-V187 HydrophobicContact CG2-CB 4.3Å; V175-V187 HydrophobicContact CG2-CG2 3.99Å; T177-V187 HydrophobicContact CG2-CG1 4.29Å; V187-Y220 CarbonylContact O-C 3.51Å; V187-Y220 WeakPolarHBondContact O-CA 3.27Å; V187-T221 HydrophobicContact CG2-CG2 3.72Å; V187-T221 WeakPolarHBondContact CG2-O 3.5Å; V187-T221 PolarHBondContact N-O 3.37Å; V187-T221 PolarHBondContact O-N 2.87Å
188	M	98.8	Very high	97.5	Very high	31 Å²	31	64 Å²	64	15%	0.153	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.8	178.4	-51.9	-54	-64.7	0	0	110.6	V175 A176 P178 L218 R219 Y220	V175-M188 CarbonylContact C-O 3.53Å; V175-M188 VanDerWaalsContact CA-O 3.27Å; V175-M188 WeakPolarHBondContact CA-O 3.34Å; V175-M188 WeakPolarHBondContact CB-O 3.25Å; A176-M188 HydrophobicContact CB-CB 4.45Å; A176-M188 PolarHBondContact N-O 2.88Å; A176-M188 WeakPolarHBondContact O-CA 3.38Å; A176-M188 WeakPolarHBondContact O-CB 3.34Å; A176-M188 PolarHBondContact O-N 3.09Å; P178-M188 HydrophobicContact CB-CG 4.08Å; P178-M188 HydrophobicContact CB-SD 4.12Å; P178-M188 HydrophobicContact CG-SD 4.49Å; M188-L218 HydrophobicContact CE-CD1 3.6Å; M188-L218 HydrophobicContact CE-CG 4.31Å; M188-R219 WeakPolarHBondContact CA-O 3.25Å; M188-R219 WeakPolarHBondContact CE-O 3.49Å; M188-Y220 HydrophobicContact CE-CD1 4.21Å; M188-Y220 HydrophobicContact CE-CD2 4.44Å; M188-Y220 HydrophobicContact CE-CE1 3.93Å; M188-Y220 HydrophobicContact CE-CE2 4.19Å; M188-Y220 HydrophobicContact CE-CG 4.45Å; M188-Y220 HydrophobicContact SD-CD1 3.5Å; M188-Y220 WeakPolarHBondContact SD-CD1 3.31Å; M188-Y220 HydrophobicContact SD-CE1 3.35Å; M188-Y220 WeakPolarHBondContact SD-CE1 3.34Å; M188-Y220 HydrophobicContact SD-CG 4.22Å
189	V	98.5	Very high	97.2	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.024	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.2	168.9	-180	0	0	0	0	108.7	I193 A198 F202 V206 R219 T221	V189-I193 HydrophobicContact CG1-CB 4.21Å; V189-I193 HydrophobicContact CG1-CD1 4.08Å; V189-A198 HydrophobicContact CG1-CB 4.06Å; V189-F202 HydrophobicContact CB-CE2 4.35Å; V189-F202 HydrophobicContact CG1-CD2 4.22Å; V189-F202 HydrophobicContact CG1-CE2 3.67Å; V189-F202 HydrophobicContact CG2-CD2 3.9Å; V189-F202 HydrophobicContact CG2-CE2 3.94Å; V189-V206 HydrophobicContact CG2-CG1 4.07Å; V189-V206 HydrophobicContact CG2-CG2 4.33Å; V189-R219 HydrophobicContact CB-CB 3.93Å; V189-R219 HydrophobicContact CG2-CB 4.22Å; V189-R219 PolarHBondContact N-O 3.27Å; V189-T221 HydrophobicContact CG2-CG2 3.82Å
190	L	98.1	Very high	97.1	Very high	49 Å²	49	69.7 Å²	69.7	26%	0.257	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-54.7	136.1	-179.2	-64.3	178.4	0	0	0	111.3	R174 A176 T192 I193 R219	R174-L190 HydrophobicContact CB-CD1 4.03Å; R174-L190 WeakPolarHBondContact O-CG 3.48Å; A176-L190 HydrophobicContact CB-CD2 4.01Å; L190-T192 PolarHBondContact O-N 2.66Å; L190-I193 HydrophobicContact CB-CD1 3.91Å; L190-I193 HydrophobicContact CB-CG1 4.09Å; L190-I193 HydrophobicContact CG-CD1 4.46Å; L190-I193 PolarHBondContact O-N 2.92Å; L190-I193 VanDerWaalsContact O-N 3.08Å; L190-R219 PolarHBondContact O-NH2 3.47Å
191	P	96.4	Very high	97	Very high	99 Å²	99	67 Å²	67	64%	0.643	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.7	-174.4	26.6	-35.4	0	0	0	113.2	I193	P191-I193 VanDerWaalsContact C-N 3.33Å
192	T	96.6	Very high	97	Very high	107 Å²	107	67.5 Å²	67.5	66%	0.656	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.2	177.8	52.6	0	0	0	0	114	L190 P194	L190-T192 PolarHBondContact O-N 2.66Å; T192-P194 WeakPolarHBondContact O-CD 3.47Å
193	I	97.1	Very high	96.9	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.015	37%	0.369	C	S	.	.	S	Bend	trans	-87.4	120.3	-178.8	-58.8	172.6	0	0	0	109.6	R174 V189 L190 P191 E197 A198 L201 F202 R219	R174-I193 HydrophobicContact CB-CD1 3.78Å; R174-I193 WeakPolarHBondContact O-CD1 3.38Å; V189-I193 HydrophobicContact CG1-CB 4.21Å; V189-I193 HydrophobicContact CG1-CD1 4.08Å; L190-I193 HydrophobicContact CB-CD1 3.91Å; L190-I193 HydrophobicContact CB-CG1 4.09Å; L190-I193 HydrophobicContact CG-CD1 4.46Å; L190-I193 PolarHBondContact O-N 2.92Å; L190-I193 VanDerWaalsContact O-N 3.08Å; P191-I193 VanDerWaalsContact C-N 3.33Å; I193-E197 HydrophobicContact CG2-CB 3.92Å; I193-E197 HydrophobicContact CG2-CG 4.05Å; I193-A198 HydrophobicContact CG2-CB 3.97Å; I193-L201 HydrophobicContact CD1-CD1 4.28Å; I193-L201 HydrophobicContact CG2-CD1 4.16Å; I193-F202 HydrophobicContact CD1-CE2 4.19Å; I193-F202 HydrophobicContact CD1-CZ 4.38Å; I193-R219 PolarHBondContact O-NH1 3.31Å; I193-R219 PolarHBondContact O-NH2 2.87Å
194	P	96.8	Very high	96.8	Very high	77 Å²	77	68 Å²	68	50%	0.5	37%	0.373	S	S	.	.			trans	-62.1	157.9	174.9	-23.1	35.5	0	0	0	113.4	T192 E196 E197 A198	T192-P194 WeakPolarHBondContact O-CD 3.47Å; P194-E196 VanDerWaalsContact C-N 3.35Å; P194-E196 PolarHBondContact O-N 3.47Å; P194-E197 WeakPolarHBondContact CD-OE2 3.22Å; P194-E197 PolarHBondContact O-N 2.97Å; P194-A198 PolarHBondContact O-N 3.23Å
195	E	93.1	Very high	96.8	Very high	72 Å²	72	67 Å²	67	34%	0.336	36%	0.361	S	S	.	.	H	α-helix	trans	-58	-43.2	-176.1	-161.5	-174.5	116.5	0	0	112.9	E197 A198 K199 K216	E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.39Å; E195-A198 PolarHBondContact O-N 3.15Å; E195-K199 WeakPolarHBondContact O-CG 3.28Å; E195-K199 PolarHBondContact O-N 3.29Å; E195-K199 VanDerWaalsContact O-N 3.1Å; E195-K199 WeakPolarHBondContact OE1-CE 3.25Å; E195-K199 IonicContact OE1-NZ 3.69Å; E195-K199 PolarHBondContact OE1-NZ 3.07Å; E195-K216 IonicContact OE2-NZ 2.79Å; E195-K216 PolarHBondContact OE2-NZ 3.18Å
196	E	94.2	Very high	96.8	Very high	117 Å²	117	65.7 Å²	65.7	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-68.1	-32.5	-179.9	-63.7	-52.9	118.9	0	0	113.2	P194 K199	P194-E196 VanDerWaalsContact C-N 3.35Å; P194-E196 PolarHBondContact O-N 3.47Å; E196-K199 IonicContact OE1-NZ 2.72Å; E196-K199 PolarHBondContact OE1-NZ 3.13Å
197	E	97	Very high	96.7	Very high	67 Å²	67	68.8 Å²	68.8	31%	0.313	36%	0.363	S	S	.	.	H	α-helix	trans	-74.4	-41.2	174.4	-170.4	-177.2	161.9	0	0	110.7	R174 I193 P194 E195 K199 K200 L201	R174-E197 IonicContact CZ-OE1 3.67Å; R174-E197 IonicContact NH1-OE1 2.66Å; R174-E197 PolarHBondContact NH1-OE1 3.08Å; I193-E197 HydrophobicContact CG2-CB 3.92Å; I193-E197 HydrophobicContact CG2-CG 4.05Å; P194-E197 WeakPolarHBondContact CD-OE2 3.22Å; P194-E197 PolarHBondContact O-N 2.97Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.39Å; E197-K199 VanDerWaalsContact C-N 3.33Å; E197-K199 PolarHBondContact O-N 3.45Å; E197-K200 PolarHBondContact O-N 2.94Å; E197-K200 VanDerWaalsContact O-N 3.08Å; E197-L201 HydrophobicContact CG-CD1 3.85Å; E197-L201 HydrophobicContact CG-CG 4.18Å; E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.43Å
198	A	96.1	Very high	96.7	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.008	37%	0.372	C	S	.	.	H	α-helix	trans	-59.3	-41.5	178.1	0	0	0	0	0	112.1	V189 I193 P194 E195 K200 L201 F202 V206	V189-A198 HydrophobicContact CG1-CB 4.06Å; I193-A198 HydrophobicContact CG2-CB 3.97Å; P194-A198 PolarHBondContact O-N 3.23Å; E195-A198 PolarHBondContact O-N 3.15Å; A198-K200 PolarHBondContact O-N 2.8Å; A198-L201 PolarHBondContact O-N 3.01Å; A198-F202 HydrophobicContact CB-CD2 4.22Å; A198-F202 WeakPolarHBondContact O-CB 3.4Å; A198-F202 VanDerWaalsContact O-CD2 3.27Å; A198-F202 WeakPolarHBondContact O-CD2 3.31Å; A198-F202 PolarHBondContact O-N 3.42Å; A198-V206 HydrophobicContact CB-CG2 4.31Å
199	K	93.3	Very high	96.7	Very high	106 Å²	106	73.9 Å²	73.9	46%	0.461	39%	0.387	S	S	.	.	H	α-helix	trans	-58.9	-33.5	175.9	-71.7	169.1	-171.9	158.8	0	112.8	E195 E196 E197	E195-K199 WeakPolarHBondContact O-CG 3.28Å; E195-K199 PolarHBondContact O-N 3.29Å; E195-K199 VanDerWaalsContact O-N 3.1Å; E195-K199 WeakPolarHBondContact OE1-CE 3.25Å; E195-K199 IonicContact OE1-NZ 3.69Å; E195-K199 PolarHBondContact OE1-NZ 3.07Å; E196-K199 IonicContact OE1-NZ 2.72Å; E196-K199 PolarHBondContact OE1-NZ 3.13Å; E197-K199 VanDerWaalsContact C-N 3.33Å; E197-K199 PolarHBondContact O-N 3.45Å
200	K	95.9	Very high	96.7	Very high	177 Å²	177	79.9 Å²	79.9	77%	0.77	42%	0.415	S	S	*	.	H	α-helix	trans	-81.1	-42.5	178.4	-65.1	177.8	-177	178.7	0	112.2	E197 A198 F202	E197-K200 PolarHBondContact O-N 2.94Å; E197-K200 VanDerWaalsContact O-N 3.08Å; A198-K200 PolarHBondContact O-N 2.8Å; K200-F202 VanDerWaalsContact C-N 3.33Å
201	L	96.3	Very high	96.7	Very high	78 Å²	78	79.7 Å²	79.7	41%	0.408	41%	0.413	S	S	.	.	H	α-helix	trans	-69.9	-29.7	-179.3	-71.3	178	0	0	0	112.8	I193 E197 A198 P203	I193-L201 HydrophobicContact CD1-CD1 4.28Å; I193-L201 HydrophobicContact CG2-CD1 4.16Å; E197-L201 HydrophobicContact CG-CD1 3.85Å; E197-L201 HydrophobicContact CG-CG 4.18Å; E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.43Å; A198-L201 PolarHBondContact O-N 3.01Å; L201-P203 VanDerWaalsContact O-CD 3.32Å; L201-P203 WeakPolarHBondContact O-CD 2.92Å
202	F	97.6	Very high	96.8	Very high	12 Å²	12	81.8 Å²	81.8	5%	0.053	43%	0.427	C	S	.	.			trans	-122.6	74.6	-173.2	-54.7	-64.4	0	0	0	111.9	R174 V175 V189 I193 A198 K200 K204 G205 V206 T221 P224	R174-F202 WeakPolarHBondContact O-CZ 3.48Å; V175-F202 HydrophobicContact CG1-CD1 4.38Å; V175-F202 HydrophobicContact CG1-CE1 3.38Å; V175-F202 HydrophobicContact CG1-CZ 3.64Å; V189-F202 HydrophobicContact CB-CE2 4.35Å; V189-F202 HydrophobicContact CG1-CD2 4.22Å; V189-F202 HydrophobicContact CG1-CE2 3.67Å; V189-F202 HydrophobicContact CG2-CD2 3.9Å; V189-F202 HydrophobicContact CG2-CE2 3.94Å; I193-F202 HydrophobicContact CD1-CE2 4.19Å; I193-F202 HydrophobicContact CD1-CZ 4.38Å; A198-F202 HydrophobicContact CB-CD2 4.22Å; A198-F202 WeakPolarHBondContact O-CB 3.4Å; A198-F202 VanDerWaalsContact O-CD2 3.27Å; A198-F202 WeakPolarHBondContact O-CD2 3.31Å; A198-F202 PolarHBondContact O-N 3.42Å; K200-F202 VanDerWaalsContact C-N 3.33Å; F202-K204 PolarHBondContact O-N 3.3Å; F202-G205 PolarHBondContact O-N 3.21Å; F202-V206 HydrophobicContact CB-CG2 3.71Å; F202-V206 HydrophobicContact CD2-CG2 4.13Å; F202-V206 HydrophobicContact CG-CG2 4.33Å; F202-T221 HydrophobicContact CB-CG2 4.45Å; F202-T221 WeakPolarHBondContact CB-OG1 3.42Å; F202-T221 HydrophobicContact CD1-CG2 3.84Å; F202-T221 HydrophobicContact CE1-CG2 4.25Å; F202-T221 HydrophobicContact CG-CG2 4.01Å; F202-P224 HydrophobicContact CD1-CG 4.06Å; F202-P224 HydrophobicContact CE1-CG 4.01Å
203	P	96.3	Very high	96.8	Very high	117 Å²	117	80 Å²	80	76%	0.76	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18	-175.5	28.1	-36.3	0	0	0	113.8	L201 G205	L201-P203 VanDerWaalsContact O-CD 3.32Å; L201-P203 WeakPolarHBondContact O-CD 2.92Å; P203-G205 PolarHBondContact O-N 3.08Å
204	K	97.3	Very high	96.8	Very high	124 Å²	124	82.4 Å²	82.4	54%	0.539	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.6	172.4	-62.9	-177.8	-172.6	166.7	0	113	F202 P222 Q223 P224	F202-K204 PolarHBondContact O-N 3.3Å; K204-P222 HydrophobicContact CB-CB 4.18Å; K204-P222 HydrophobicContact CB-CG 4.04Å; K204-P222 HydrophobicContact CD-CB 4.2Å; K204-Q223 PolarHBondContact NZ-O 3.45Å; K204-P224 WeakPolarHBondContact CE-OXT 3.49Å; K204-P224 PolarHBondContact NZ-OXT 3.13Å
205	G	97.1	Very high	96.8	Very high	34 Å²	34	85.7 Å²	85.7	35%	0.351	45%	0.451	S	S	.	.			trans	109.4	150.2	175.7	0	0	0	0	0	113.1	F202 P203 T221 P222	F202-G205 PolarHBondContact O-N 3.21Å; P203-G205 PolarHBondContact O-N 3.08Å; G205-T221 WeakPolarHBondContact O-CB 3.46Å; G205-T221 PolarHBondContact O-OG1 2.96Å; G205-P222 WeakPolarHBondContact O-CD 3.47Å
206	V	98.3	Very high	97	Very high	47 Å²	47	87.7 Å²	87.7	29%	0.285	46%	0.459	S	S	.	.			trans	-125.2	123.3	174.8	-179.7	0	0	0	0	108.4	V189 A198 F202 R219 Y220	V189-V206 HydrophobicContact CG2-CG1 4.07Å; V189-V206 HydrophobicContact CG2-CG2 4.33Å; A198-V206 HydrophobicContact CB-CG2 4.31Å; F202-V206 HydrophobicContact CB-CG2 3.71Å; F202-V206 HydrophobicContact CD2-CG2 4.13Å; F202-V206 HydrophobicContact CG-CG2 4.33Å; V206-R219 HydrophobicContact CG1-CB 4.17Å; V206-Y220 CarbonylContact C-O 3.52Å; V206-Y220 WeakPolarHBondContact CA-O 3.37Å
207	F	98.1	Very high	97.2	Very high	122 Å²	122	88 Å²	88	54%	0.535	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.7	175.3	170.6	-104.1	0	0	0	109.8	K209 R219 Y220	F207-K209 HydrophobicContact CE1-CB 3.96Å; F207-K209 HydrophobicContact CE1-CD 4.23Å; F207-K209 HydrophobicContact CZ-CB 4.45Å; F207-K209 HydrophobicContact CZ-CD 4.23Å; F207-R219 CarbonylContact O-C 3.53Å; F207-R219 VanDerWaalsContact O-CA 3.29Å; F207-R219 WeakPolarHBondContact O-CA 3.39Å; F207-Y220 AromaticContact CD1-CD2 3.86Å; F207-Y220 HydrophobicContact CD1-CD2 3.86Å; F207-Y220 HydrophobicContact CE1-CD2 4.37Å; F207-Y220 PolarHBondContact N-O 3.36Å; F207-Y220 PolarHBondContact O-N 3.08Å
208	T	98.3	Very high	97.2	Very high	34 Å²	34	86.7 Å²	86.7	21%	0.209	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.7	173.7	-53.9	0	0	0	0	109.2	K216 R219	T208-K216 HydrophobicContact CG2-CB 3.9Å; T208-K216 HydrophobicContact CG2-CG 4.17Å; T208-R219 HydrophobicContact CG2-CG 4Å; T208-R219 WeakPolarHBondContact OG1-CG 3.39Å
209	K	98	Very high	97.3	Very high	105 Å²	105	87.3 Å²	87.3	46%	0.457	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-83.4	121	174.9	180	68.9	175.5	177.7	0	109.3	F207 L211 L218 Y220	F207-K209 HydrophobicContact CE1-CB 3.96Å; F207-K209 HydrophobicContact CE1-CD 4.23Å; F207-K209 HydrophobicContact CZ-CB 4.45Å; F207-K209 HydrophobicContact CZ-CD 4.23Å; K209-L211 HydrophobicContact CG-CD2 4.33Å; K209-L218 HydrophobicContact CB-CB 4.31Å; K209-L218 HydrophobicContact CB-CD2 3.76Å; K209-L218 HydrophobicContact CB-CG 4.12Å; K209-L218 HydrophobicContact CG-CD2 3.79Å; K209-L218 PolarHBondContact N-O 2.94Å; K209-Y220 HydrophobicContact CB-CE2 4.32Å
210	E	98.2	Very high	97.6	Very high	130 Å²	130	86 Å²	86	61%	0.607	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-66.7	135.8	173.4	-68.2	-57.4	140.7	0	0	111.1
211	L	98.3	Very high	97.7	Very high	44 Å²	44	77.7 Å²	77.7	23%	0.23	41%	0.41	C	S	.	.			trans	-134.4	155.5	-176.6	-66.4	178.1	0	0	0	110.6	K209 S213 G214 Y217 L218	K209-L211 HydrophobicContact CG-CD2 4.33Å; L211-S213 PolarHBondContact O-N 3.04Å; L211-G214 PolarHBondContact O-N 3.48Å; L211-Y217 HydrophobicContact CD1-CE1 3.66Å; L211-Y217 HydrophobicContact CD1-CE2 4.25Å; L211-Y217 VanDerWaalsContact CD1-CZ 3.47Å; L211-Y217 VanDerWaalsContact CD1-OH 3.27Å; L211-Y217 WeakPolarHBondContact CD1-OH 3.47Å; L211-L218 HydrophobicContact CD1-CB 3.82Å; L211-L218 HydrophobicContact CD1-CD2 3.89Å; L211-L218 HydrophobicContact CD1-CG 4.45Å; L211-L218 HydrophobicContact CD2-CD2 4.05Å; L211-L218 HydrophobicContact CG-CD2 4.25Å
212	P	98.4	Very high	97.8	Very high	143 Å²	143	76.5 Å²	76.5	93%	0.929	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.8	-178.4	-28	35.6	0	0	0	115.3	G214	P212-G214 PolarHBondContact O-N 3.31Å
213	S	97.6	Very high	97.9	Very high	69 Å²	69	78 Å²	78	48%	0.483	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.2	177.8	70.4	0	0	0	0	114.8	L211 K215	L211-S213 PolarHBondContact O-N 3.04Å; S213-K215 PolarHBondContact O-N 3.4Å; S213-K215 VanDerWaalsContact O-N 3.1Å; S213-K215 WeakPolarHBondContact OG-CB 3.44Å; S213-K215 PolarHBondContact OG-N 3.21Å
214	G	97.2	Very high	97.8	Very high	55 Å²	55	75.8 Å²	75.8	57%	0.567	40%	0.4	S	S	*	.			trans	67.4	-0.9	-170.5	0	0	0	0	0	114.8	L211 P212	L211-G214 PolarHBondContact O-N 3.48Å; P212-G214 PolarHBondContact O-N 3.31Å
215	K	96.9	Very high	97.8	Very high	145 Å²	145	73.4 Å²	73.4	63%	0.63	39%	0.393	S	S	*	.			trans	-81.5	132.6	178.7	-62	-177.9	-179.4	-179.4	0	110.9	S213 Y217	S213-K215 PolarHBondContact O-N 3.4Å; S213-K215 VanDerWaalsContact O-N 3.1Å; S213-K215 WeakPolarHBondContact OG-CB 3.44Å; S213-K215 PolarHBondContact OG-N 3.21Å; K215-Y217 VanDerWaalsContact C-N 3.32Å; K215-Y217 HydrophobicContact CB-CD1 3.71Å; K215-Y217 HydrophobicContact CB-CE1 4.19Å; K215-Y217 PolarHBondContact O-N 3.25Å
216	K	97.1	Very high	97.8	Very high	115 Å²	115	75.5 Å²	75.5	50%	0.5	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	41.7	-178.2	-64.6	-178.8	169.1	-174	0	114.4	E195 T208 R219	E195-K216 IonicContact OE2-NZ 2.79Å; E195-K216 PolarHBondContact OE2-NZ 3.18Å; T208-K216 HydrophobicContact CG2-CB 3.9Å; T208-K216 HydrophobicContact CG2-CG 4.17Å; K216-R219 WeakPolarHBondContact O-CD 3.48Å; K216-R219 WeakPolarHBondContact O-CG 3.31Å
217	Y	97.3	Very high	97.8	Very high	124 Å²	124	77.1 Å²	77.1	49%	0.486	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-26.3	-176.9	69.1	-86.5	0	0	0	113.2	L211 K215 R219	L211-Y217 HydrophobicContact CD1-CE1 3.66Å; L211-Y217 HydrophobicContact CD1-CE2 4.25Å; L211-Y217 VanDerWaalsContact CD1-CZ 3.47Å; L211-Y217 VanDerWaalsContact CD1-OH 3.27Å; L211-Y217 WeakPolarHBondContact CD1-OH 3.47Å; K215-Y217 VanDerWaalsContact C-N 3.32Å; K215-Y217 HydrophobicContact CB-CD1 3.71Å; K215-Y217 HydrophobicContact CB-CE1 4.19Å; K215-Y217 PolarHBondContact O-N 3.25Å; Y217-R219 VanDerWaalsContact C-N 3.34Å; Y217-R219 PolarHBondContact O-N 3.4Å
218	L	98.4	Very high	97.8	Very high	39 Å²	39	74.4 Å²	74.4	20%	0.204	39%	0.393	C	S	.	.			trans	-84.4	79.4	-175.3	-165.1	69	0	0	0	110.3	M188 K209 L211 Y220	M188-L218 HydrophobicContact CE-CD1 3.6Å; M188-L218 HydrophobicContact CE-CG 4.31Å; K209-L218 HydrophobicContact CB-CB 4.31Å; K209-L218 HydrophobicContact CB-CD2 3.76Å; K209-L218 HydrophobicContact CB-CG 4.12Å; K209-L218 HydrophobicContact CG-CD2 3.79Å; K209-L218 PolarHBondContact N-O 2.94Å; L211-L218 HydrophobicContact CD1-CB 3.82Å; L211-L218 HydrophobicContact CD1-CD2 3.89Å; L211-L218 HydrophobicContact CD1-CG 4.45Å; L211-L218 HydrophobicContact CD2-CD2 4.05Å; L211-L218 HydrophobicContact CG-CD2 4.25Å; L218-Y220 HydrophobicContact CD1-CE2 4.44Å; L218-Y220 HydrophobicContact CD2-CE2 4.38Å; L218-Y220 HydrophobicContact CG-CE2 3.9Å
219	R	98.5	Very high	97.7	Very high	13 Å²	13	76.9 Å²	76.9	5%	0.049	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.3	-173.5	-62.9	-176.5	-60.5	178.5	-2.4	111.4	M188 V189 L190 I193 V206 F207 T208 K216 Y217	M188-R219 WeakPolarHBondContact CA-O 3.25Å; M188-R219 WeakPolarHBondContact CE-O 3.49Å; V189-R219 HydrophobicContact CB-CB 3.93Å; V189-R219 HydrophobicContact CG2-CB 4.22Å; V189-R219 PolarHBondContact N-O 3.27Å; L190-R219 PolarHBondContact O-NH2 3.47Å; I193-R219 PolarHBondContact O-NH1 3.31Å; I193-R219 PolarHBondContact O-NH2 2.87Å; V206-R219 HydrophobicContact CG1-CB 4.17Å; F207-R219 CarbonylContact O-C 3.53Å; F207-R219 VanDerWaalsContact O-CA 3.29Å; F207-R219 WeakPolarHBondContact O-CA 3.39Å; T208-R219 HydrophobicContact CG2-CG 4Å; T208-R219 WeakPolarHBondContact OG1-CG 3.39Å; K216-R219 WeakPolarHBondContact O-CD 3.48Å; K216-R219 WeakPolarHBondContact O-CG 3.31Å; Y217-R219 VanDerWaalsContact C-N 3.34Å; Y217-R219 PolarHBondContact O-N 3.4Å
220	Y	98.6	Very high	97.7	Very high	80 Å²	80	75.1 Å²	75.1	31%	0.314	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	148	178.2	-60.9	-95.1	0	0	0	110.6	V187 M188 V206 F207 K209 L218	V187-Y220 CarbonylContact O-C 3.51Å; V187-Y220 WeakPolarHBondContact O-CA 3.27Å; M188-Y220 HydrophobicContact CE-CD1 4.21Å; M188-Y220 HydrophobicContact CE-CD2 4.44Å; M188-Y220 HydrophobicContact CE-CE1 3.93Å; M188-Y220 HydrophobicContact CE-CE2 4.19Å; M188-Y220 HydrophobicContact CE-CG 4.45Å; M188-Y220 HydrophobicContact SD-CD1 3.5Å; M188-Y220 WeakPolarHBondContact SD-CD1 3.31Å; M188-Y220 HydrophobicContact SD-CE1 3.35Å; M188-Y220 WeakPolarHBondContact SD-CE1 3.34Å; M188-Y220 HydrophobicContact SD-CG 4.22Å; V206-Y220 CarbonylContact C-O 3.52Å; V206-Y220 WeakPolarHBondContact CA-O 3.37Å; F207-Y220 AromaticContact CD1-CD2 3.86Å; F207-Y220 HydrophobicContact CD1-CD2 3.86Å; F207-Y220 HydrophobicContact CE1-CD2 4.37Å; F207-Y220 PolarHBondContact N-O 3.36Å; F207-Y220 PolarHBondContact O-N 3.08Å; K209-Y220 HydrophobicContact CB-CE2 4.32Å; L218-Y220 HydrophobicContact CD1-CE2 4.44Å; L218-Y220 HydrophobicContact CD2-CE2 4.38Å; L218-Y220 HydrophobicContact CG-CE2 3.9Å
221	T	98.6	Very high	97.7	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.012	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	146.7	166.7	-171.4	0	0	0	0	109.3	V175 V187 V189 F202 G205	V175-T221 HydrophobicContact CG1-CG2 4.32Å; V187-T221 HydrophobicContact CG2-CG2 3.72Å; V187-T221 WeakPolarHBondContact CG2-O 3.5Å; V187-T221 PolarHBondContact N-O 3.37Å; V187-T221 PolarHBondContact O-N 2.87Å; V189-T221 HydrophobicContact CG2-CG2 3.82Å; F202-T221 HydrophobicContact CB-CG2 4.45Å; F202-T221 WeakPolarHBondContact CB-OG1 3.42Å; F202-T221 HydrophobicContact CD1-CG2 3.84Å; F202-T221 HydrophobicContact CE1-CG2 4.25Å; F202-T221 HydrophobicContact CG-CG2 4.01Å; G205-T221 WeakPolarHBondContact O-CB 3.46Å; G205-T221 PolarHBondContact O-OG1 2.96Å
222	P	98.5	Very high	97.6	Very high	53 Å²	53	73.2 Å²	73.2	34%	0.344	40%	0.398	S	S	.	.			trans	-55.4	149.2	170.1	-24.5	35.5	0	0	0	110.9	K204 G205 P224	K204-P222 HydrophobicContact CB-CB 4.18Å; K204-P222 HydrophobicContact CB-CG 4.04Å; K204-P222 HydrophobicContact CD-CB 4.2Å; G205-P222 WeakPolarHBondContact O-CD 3.47Å; P222-P224 WeakPolarHBondContact O-CD 3.29Å; P222-P224 VanDerWaalsContact O-N 3.14Å
223	Q	98	Very high	97.6	Very high	44 Å²	44	67.4 Å²	67.4	21%	0.206	35%	0.354	C	S	.	.			trans	-50.3	121.7	176.3	-174.8	167.2	-28.9	0	0	110.6	L169 D183 G184 K204	L169-Q223 HydrophobicContact CD1-CG 4.25Å; L169-Q223 HydrophobicContact CD2-CG 4Å; D183-Q223 PolarHBondContact OD1-NE2 2.8Å; G184-Q223 VanDerWaalsContact CA-OE1 3.24Å; K204-Q223 PolarHBondContact NZ-O 3.45Å
224	P	94.1	Very high	97.6	Very high	70 Å²	70	67.3 Å²	67.3	46%	0.455	34%	0.342	S	S	.	.			trans	-60.2	0	-175.8	-26.8	35.4	0	0	0	113.9	K173 V175 F202 K204 P222	K173-P224 HydrophobicContact CB-CG 4.4Å; K173-P224 HydrophobicContact CD-CB 4.13Å; K173-P224 HydrophobicContact CG-CB 4.17Å; K173-P224 HydrophobicContact CG-CG 4.35Å; V175-P224 HydrophobicContact CG1-CG 4.1Å; F202-P224 HydrophobicContact CD1-CG 4.06Å; F202-P224 HydrophobicContact CE1-CG 4.01Å; K204-P224 WeakPolarHBondContact CE-OXT 3.49Å; K204-P224 PolarHBondContact NZ-OXT 3.13Å; P222-P224 WeakPolarHBondContact O-CD 3.29Å; P222-P224 VanDerWaalsContact O-N 3.14Å

Retrieved 224 of 224 residues in 99.6 ms (Link to these results)

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