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Alpha-lactalbumin

Regulatory subunit of lactose synthase, changes the substrate specificity of galactosyltransferase in the mammary gland making glucose a good acceptor substrate for this enzyme. This enables LS to synthesize lactose, the major carbohydrate component of milk. In other tissues, galactosyltransferase transfers galactose onto the N-acetylglucosamine of the oligosaccharide chains in glycoproteins.

AlphaFold DB (P00709), UniProt , Accession A0A080YV01, Species HUMAN (Homo sapiens, Human), Gene LYZG, Length 142 aa.

						>A0A080YV01_HUMAN|A0A080YV01|LYZG
MRFFVPLFLVGILFPAILAKQFTKCELSQLLKDIDGYGGIALPELICTMFHTSGYDTQAIVENNESTEYGLFQISNKLWCKSSQVPQSRNICDISCDKFLDDDITDDIMCAKKILDIKGIDYWLAHKALCTEKLEQWLCEKL
					

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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	49	Very low	59.8	Low	208 Å²	208	153.2 Å²	153.2	100%	1.025	79%	0.786	S	S	*	*				0	104.8	0	-144.6	148.7	85.1	0	0	107.3	F3	M1-F3 HydrophobicContact CB-CE2 4.41Å; M1-F3 HydrophobicContact CE-CE2 3.88Å; M1-F3 HydrophobicContact CE-CZ 3.59Å; M1-F3 HydrophobicContact CG-CE2 4.41Å
2	R	53.7	Low	60.4	Low	228 Å²	228	150.3 Å²	150.3	86%	0.86	77%	0.77	S	S	*	*			trans	-90.8	110.1	-179.3	-70.4	-176.5	179	-167	-0.3	107.8	F4	R2-F4 PolarHBondContact O-N 3.23Å
3	F	51.4	Low	60.7	Low	168 Å²	168	151.5 Å²	151.5	74%	0.737	78%	0.778	S	S	*	*			trans	-82.4	108.6	175.2	-75.3	-87	0	0	0	108.8	M1 V5	M1-F3 HydrophobicContact CB-CE2 4.41Å; M1-F3 HydrophobicContact CE-CE2 3.88Å; M1-F3 HydrophobicContact CE-CZ 3.59Å; M1-F3 HydrophobicContact CG-CE2 4.41Å; F3-V5 PolarHBondContact O-N 3.12Å
4	F	61.5	Low	60.8	Low	187 Å²	187	151.9 Å²	151.9	82%	0.82	77%	0.772	S	S	*	*			trans	-78.5	106.5	164.1	-74.2	-90.9	0	0	0	107	R2 P6	R2-F4 PolarHBondContact O-N 3.23Å; F4-P6 WeakPolarHBondContact O-CD 3.46Å
5	V	67	Low	60.7	Low	127 Å²	127	149 Å²	149	77%	0.77	77%	0.767	S	S	*	*			trans	-91	110.4	171.4	-178.9	0	0	0	0	107.1	F3 L7	F3-V5 PolarHBondContact O-N 3.12Å; V5-L7 PolarHBondContact O-N 3.18Å
6	P	59.7	Low	60.6	Low	95 Å²	95	144.4 Å²	144.4	62%	0.617	76%	0.758	S	S	*	*			trans	-73.7	115.2	176.1	28.9	-29.5	0	0	0	108.7	F4 F8	F4-P6 WeakPolarHBondContact O-CD 3.46Å; P6-F8 HydrophobicContact CG-CD2 4.48Å; P6-F8 HydrophobicContact CG-CE2 4.42Å; P6-F8 PolarHBondContact O-N 2.04Å
7	L	63.6	Low	60.6	Low	154 Å²	154	143.9 Å²	143.9	81%	0.806	76%	0.755	S	S	*	*			trans	-71.4	92.1	172	-169.8	71.5	0	0	0	108	V5 L9	V5-L7 PolarHBondContact O-N 3.18Å; L7-L9 PolarHBondContact O-N 2.8Å
8	F	54.6	Low	60.7	Low	177 Å²	177	143.5 Å²	143.5	78%	0.776	75%	0.752	S	S	*	*			trans	-66.2	100.1	171.5	-96	-93.6	0	0	0	108.7	P6 V10	P6-F8 HydrophobicContact CG-CD2 4.48Å; P6-F8 HydrophobicContact CG-CE2 4.42Å; P6-F8 PolarHBondContact O-N 2.04Å; F8-V10 PolarHBondContact O-N 2.69Å
9	L	62.7	Low	61.1	Low	158 Å²	158	138.8 Å²	138.8	83%	0.827	74%	0.736	S	S	*	*			trans	-69.3	86.1	166.5	-72.9	166.4	0	0	0	108	L7 G11	L7-L9 PolarHBondContact O-N 2.8Å; L9-G11 PolarHBondContact O-N 3.24Å
10	V	67.5	Low	62.4	Low	114 Å²	114	135 Å²	135	69%	0.691	71%	0.713	S	S	*	*			trans	-68.7	100.3	167.7	173.7	0	0	0	0	106.8	F8 I12	F8-V10 PolarHBondContact O-N 2.69Å; V10-I12 PolarHBondContact O-N 3.35Å; V10-I12 VanDerWaalsContact O-N 3.12Å
11	G	67.6	Low	63.9	Low	69 Å²	69	134.4 Å²	134.4	71%	0.711	71%	0.707	S	S	*	*			trans	-65.3	107	168.4	0	0	0	0	0	108.4	L9 L13	L9-G11 PolarHBondContact O-N 3.24Å; G11-L13 PolarHBondContact O-N 2.89Å
12	I	66.8	Low	66.1	Low	118 Å²	118	125.5 Å²	125.5	61%	0.605	66%	0.662	S	S	*	*			trans	-72.3	102.1	174.3	-52.9	174.8	0	0	0	106.5	V10 F14	V10-I12 PolarHBondContact O-N 3.35Å; V10-I12 VanDerWaalsContact O-N 3.12Å; I12-F14 HydrophobicContact CB-CD2 3.98Å; I12-F14 HydrophobicContact CB-CE2 3.74Å; I12-F14 HydrophobicContact CB-CZ 4.49Å; I12-F14 HydrophobicContact CD1-CE2 4.2Å; I12-F14 HydrophobicContact CD1-CZ 4.49Å; I12-F14 HydrophobicContact CG2-CD1 4.36Å; I12-F14 HydrophobicContact CG2-CD2 3.48Å; I12-F14 VanDerWaalsContact CG2-CD2 3.48Å; I12-F14 HydrophobicContact CG2-CE1 4.18Å; I12-F14 HydrophobicContact CG2-CE2 3.27Å; I12-F14 HydrophobicContact CG2-CG 4.04Å; I12-F14 HydrophobicContact CG2-CZ 3.65Å; I12-F14 PolarHBondContact O-N 3.21Å
13	L	63.7	Low	68.2	Low	166 Å²	166	118.3 Å²	118.3	87%	0.869	64%	0.644	S	S	*	*			trans	-71.7	81.9	168.5	-164.4	79.9	0	0	0	106.8	G11 P15	G11-L13 PolarHBondContact O-N 2.89Å; L13-P15 WeakPolarHBondContact O-CD 2.95Å
14	F	62.5	Low	70.3	Confident	158 Å²	158	113.5 Å²	113.5	69%	0.693	62%	0.622	S	S	*	*			trans	-66.2	116.8	165.2	-75.9	-81.5	0	0	0	106.2	I12 A16	I12-F14 HydrophobicContact CB-CD2 3.98Å; I12-F14 HydrophobicContact CB-CE2 3.74Å; I12-F14 HydrophobicContact CB-CZ 4.49Å; I12-F14 HydrophobicContact CD1-CE2 4.2Å; I12-F14 HydrophobicContact CD1-CZ 4.49Å; I12-F14 HydrophobicContact CG2-CD1 4.36Å; I12-F14 HydrophobicContact CG2-CD2 3.48Å; I12-F14 VanDerWaalsContact CG2-CD2 3.48Å; I12-F14 HydrophobicContact CG2-CE1 4.18Å; I12-F14 HydrophobicContact CG2-CE2 3.27Å; I12-F14 HydrophobicContact CG2-CG 4.04Å; I12-F14 HydrophobicContact CG2-CZ 3.65Å; I12-F14 PolarHBondContact O-N 3.21Å; F14-A16 VanDerWaalsContact C-N 3.32Å; F14-A16 PolarHBondContact O-N 3.3Å
15	P	59.2	Low	72	Confident	108 Å²	108	106.5 Å²	106.5	70%	0.701	60%	0.596	S	S	*	*			trans	-59.7	107.8	163.7	25.5	-29.3	0	0	0	105.3	L13 I17	L13-P15 WeakPolarHBondContact O-CD 2.95Å; P15-I17 VanDerWaalsContact C-N 3.29Å; P15-I17 PolarHBondContact O-N 3.5Å
16	A	59.2	Low	73.4	Confident	75 Å²	75	103.8 Å²	103.8	62%	0.62	58%	0.575	S	S	*	*			trans	-61.7	104.1	166.7	0	0	0	0	0	104.9	F14 L18	F14-A16 VanDerWaalsContact C-N 3.32Å; F14-A16 PolarHBondContact O-N 3.3Å; A16-L18 HydrophobicContact CB-CG 4.42Å; A16-L18 PolarHBondContact O-N 3.44Å
17	I	60.5	Low	75.2	Confident	137 Å²	137	99.3 Å²	99.3	70%	0.703	55%	0.546	S	S	*	.			trans	-70.3	91.2	173.6	-34.5	174.4	0	0	0	103.9	P15	P15-I17 VanDerWaalsContact C-N 3.29Å; P15-I17 PolarHBondContact O-N 3.5Å
18	L	63.3	Low	76.8	Confident	136 Å²	136	92.4 Å²	92.4	71%	0.712	51%	0.51	S	S	*	.			trans	-80.3	127.6	176.1	-69.4	174.9	0	0	0	107	A16 K20 Q58	A16-L18 HydrophobicContact CB-CG 4.42Å; A16-L18 PolarHBondContact O-N 3.44Å; L18-K20 PolarHBondContact O-N 3.15Å; L18-Q58 PolarHBondContact O-NE2 2.85Å
19	A	68.1	Low	78.8	Confident	54 Å²	54	90.2 Å²	90.2	45%	0.446	50%	0.503	S	S	.	.			trans	-55.7	118	171.4	0	0	0	0	0	110.2	Q21 Q58	A19-Q21 PolarHBondContact O-N 3.39Å; A19-Q58 HydrophobicContact CB-CB 3.82Å; A19-Q58 HydrophobicContact CB-CG 3.96Å
20	K	86.3	Confident	80.4	Confident	62 Å²	62	86.6 Å²	86.6	27%	0.27	48%	0.484	S	S	.	.			trans	-81.8	111.4	172.4	178	59.2	174.9	158.5	0	108.2	L18 F22 E26 T57 D102	L18-K20 PolarHBondContact O-N 3.15Å; K20-F22 HydrophobicContact CG-CD1 4.23Å; K20-F22 HydrophobicContact CG-CE1 4.04Å; K20-F22 HydrophobicContact CG-CE2 4.35Å; K20-F22 HydrophobicContact CG-CG 4.47Å; K20-F22 HydrophobicContact CG-CZ 4.1Å; K20-E26 IonicContact NZ-OE1 2.88Å; K20-E26 PolarHBondContact NZ-OE1 2.88Å; K20-E26 IonicContact NZ-OE2 3.15Å; K20-E26 PolarHBondContact NZ-OE2 3.13Å; K20-E26 VanDerWaalsContact NZ-OE2 3.15Å; K20-T57 PolarHBondContact O-N 3.3Å; K20-T57 VanDerWaalsContact O-N 3.12Å; K20-T57 PolarHBondContact O-OG1 2.93Å; K20-T57 VanDerWaalsContact O-OG1 3.12Å; K20-D102 HydrophobicContact CB-CB 4.41Å; K20-D102 VanDerWaalsContact CB-CG 3.46Å; K20-D102 WeakPolarHBondContact CB-OD1 3.4Å
21	Q	93.6	Very high	81.9	Confident	124 Å²	124	81.2 Å²	81.2	58%	0.579	45%	0.451	S	S	*	.	B	Isolated β-bridge	trans	-90.2	114.8	161.1	-167.4	166.5	40	0	0	108.3	A19 G54 Y55	A19-Q21 PolarHBondContact O-N 3.39Å; Q21-G54 WeakPolarHBondContact CG-O 3.06Å; Q21-G54 PolarHBondContact NE2-O 2.79Å; Q21-Y55 WeakPolarHBondContact CA-O 3.43Å
22	F	96.3	Very high	83.2	Confident	20 Å²	20	83.7 Å²	83.7	9%	0.088	44%	0.442	C	S	.	.			trans	-71.1	148.3	173	-71.3	-70.8	0	0	0	110.6	K20 E26 L27 L30 Y55 T57 I104	K20-F22 HydrophobicContact CG-CD1 4.23Å; K20-F22 HydrophobicContact CG-CE1 4.04Å; K20-F22 HydrophobicContact CG-CE2 4.35Å; K20-F22 HydrophobicContact CG-CG 4.47Å; K20-F22 HydrophobicContact CG-CZ 4.1Å; F22-E26 HydrophobicContact CB-CB 4.4Å; F22-E26 HydrophobicContact CD1-CB 3.86Å; F22-L27 HydrophobicContact CB-CB 4.12Å; F22-L30 HydrophobicContact CD1-CD1 4.09Å; F22-L30 HydrophobicContact CE1-CD1 3.5Å; F22-L30 HydrophobicContact CE2-CD1 4.2Å; F22-L30 HydrophobicContact CZ-CD1 3.56Å; F22-Y55 PolarHBondContact N-O 2.96Å; F22-Y55 VanDerWaalsContact O-CB 3.26Å; F22-Y55 WeakPolarHBondContact O-CB 3.45Å; F22-Y55 WeakPolarHBondContact O-CD2 3.4Å; F22-T57 HydrophobicContact CD2-CG2 3.91Å; F22-T57 HydrophobicContact CE2-CG2 3.43Å; F22-T57 VanDerWaalsContact CE2-CG2 3.43Å; F22-T57 HydrophobicContact CZ-CG2 4.4Å; F22-I104 HydrophobicContact CE2-CD1 4.35Å; F22-I104 HydrophobicContact CE2-CG2 3.9Å
23	T	96.2	Very high	84.6	Confident	77 Å²	77	85.5 Å²	85.5	47%	0.472	45%	0.453	S	S	.	.			trans	-77.2	157.7	161.5	65.9	0	0	0	0	110	C25 E26 L27	T23-C25 PolarHBondContact O-N 3.25Å; T23-C25 VanDerWaalsContact O-N 3.12Å; T23-E26 PolarHBondContact N-OE2 3.4Å; T23-E26 PolarHBondContact O-N 3.3Å; T23-E26 WeakPolarHBondContact OG1-CB 3.45Å; T23-E26 VanDerWaalsContact OG1-CG 3.25Å; T23-E26 WeakPolarHBondContact OG1-CG 3.39Å; T23-E26 PolarHBondContact OG1-N 2.98Å; T23-E26 PolarHBondContact OG1-OE2 2.91Å; T23-E26 VanDerWaalsContact OG1-OE2 3.13Å; T23-L27 PolarHBondContact O-N 3.14Å
24	K	96.6	Very high	86.2	Confident	67 Å²	67	78.1 Å²	78.1	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-45.1	-45.5	172.4	-179.2	-173.9	56	162.8	0	112.2	S28 I46 Y55 Q136 W137 L138	K24-S28 VanDerWaalsContact O-CB 3.31Å; K24-S28 WeakPolarHBondContact O-CB 3.41Å; K24-S28 PolarHBondContact O-N 2.83Å; K24-S28 PolarHBondContact O-OG 3.18Å; K24-I46 HydrophobicContact CD-CG2 4.38Å; K24-I46 HydrophobicContact CG-CG2 3.59Å; K24-Y55 HydrophobicContact CB-CE2 4.03Å; K24-Q136 WeakPolarHBondContact CD-O 3.49Å; K24-Q136 PolarHBondContact NZ-O 3.18Å; K24-W137 HydrophobicContact CD-CE3 4.26Å; K24-L138 WeakPolarHBondContact CE-O 3.29Å; K24-L138 PolarHBondContact NZ-O 3.08Å
25	C	97.2	Very high	87.8	Confident	40 Å²	40	75 Å²	75	27%	0.27	41%	0.405	S	S	.	.	H	α-helix	trans	-76.6	-38.8	-175.9	-88.4	0	0	0	0	113.7	T23 L27 S28 Q29 C139	T23-C25 PolarHBondContact O-N 3.25Å; T23-C25 VanDerWaalsContact O-N 3.12Å; C25-L27 VanDerWaalsContact C-N 3.34Å; C25-S28 PolarHBondContact O-N 3.39Å; C25-Q29 WeakPolarHBondContact O-CG 3.47Å; C25-Q29 PolarHBondContact O-N 2.7Å; C25-Q29 VanDerWaalsContact O-N 3.08Å; C25-C139 WeakPolarHBondContact CA-SG 3.38Å; C25-C139 HydrophobicContact CB-CB 4.08Å; C25-C139 WeakPolarHBondContact CB-SG 3.16Å; C25-C139 WeakPolarHBondContact SG-CB 3.25Å; C25-C139 CovalentContact SG-SG 2.04Å; C25-C139 PolarHBondContact SG-SG 3.16Å
26	E	96.6	Very high	89.7	Confident	71 Å²	71	71.9 Å²	71.9	33%	0.332	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-48.5	172	-73.8	169.6	137.2	0	0	110.1	K20 F22 T23 S28 Q29 L30	K20-E26 IonicContact NZ-OE1 2.88Å; K20-E26 PolarHBondContact NZ-OE1 2.88Å; K20-E26 IonicContact NZ-OE2 3.15Å; K20-E26 PolarHBondContact NZ-OE2 3.13Å; K20-E26 VanDerWaalsContact NZ-OE2 3.15Å; F22-E26 HydrophobicContact CB-CB 4.4Å; F22-E26 HydrophobicContact CD1-CB 3.86Å; T23-E26 PolarHBondContact N-OE2 3.4Å; T23-E26 PolarHBondContact O-N 3.3Å; T23-E26 WeakPolarHBondContact OG1-CB 3.45Å; T23-E26 VanDerWaalsContact OG1-CG 3.25Å; T23-E26 WeakPolarHBondContact OG1-CG 3.39Å; T23-E26 PolarHBondContact OG1-N 2.98Å; T23-E26 PolarHBondContact OG1-OE2 2.91Å; T23-E26 VanDerWaalsContact OG1-OE2 3.13Å; E26-S28 PolarHBondContact O-N 3.29Å; E26-Q29 PolarHBondContact O-N 2.66Å; E26-L30 PolarHBondContact O-N 3.46Å; E26-L30 VanDerWaalsContact O-N 3.14Å
27	L	97.5	Very high	91.5	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-65.5	-40.2	179.1	-173.8	61.8	0	0	0	112.1	F22 T23 C25 Q29 L30 L31 I46 M49 Y55 L71 I104	F22-L27 HydrophobicContact CB-CB 4.12Å; T23-L27 PolarHBondContact O-N 3.14Å; C25-L27 VanDerWaalsContact C-N 3.34Å; L27-Q29 PolarHBondContact O-N 3.31Å; L27-L30 PolarHBondContact O-N 3.13Å; L27-L30 VanDerWaalsContact O-N 3.15Å; L27-L31 HydrophobicContact CD1-CD1 3.81Å; L27-L31 HydrophobicContact CD1-CD2 4.26Å; L27-L31 HydrophobicContact CD1-CG 3.77Å; L27-L31 HydrophobicContact CD2-CD1 4.18Å; L27-L31 HydrophobicContact CG-CD1 3.77Å; L27-L31 HydrophobicContact CG-CG 4.05Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 3.42Å; L27-I46 HydrophobicContact CB-CD1 4.01Å; L27-I46 HydrophobicContact CD2-CD1 3.93Å; L27-I46 HydrophobicContact CG-CD1 3.69Å; L27-M49 HydrophobicContact CD2-CB 3.92Å; L27-M49 HydrophobicContact CD2-CG 4.4Å; L27-Y55 HydrophobicContact CD2-CD1 3.26Å; L27-Y55 HydrophobicContact CD2-CE1 3.47Å; L27-Y55 VanDerWaalsContact CD2-CE1 3.47Å; L27-Y55 HydrophobicContact CD2-CG 4.09Å; L27-L71 HydrophobicContact CD1-CD2 3.56Å; L27-L71 HydrophobicContact CD2-CD1 4.05Å; L27-L71 HydrophobicContact CD2-CD2 4.39Å; L27-I104 HydrophobicContact CD1-CD1 3.87Å
28	S	97.7	Very high	93.1	Very high	9 Å²	9	68.1 Å²	68.1	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-57.1	-36.2	175.3	-62.4	0	0	0	0	112.3	K24 C25 E26 K32	K24-S28 VanDerWaalsContact O-CB 3.31Å; K24-S28 WeakPolarHBondContact O-CB 3.41Å; K24-S28 PolarHBondContact O-N 2.83Å; K24-S28 PolarHBondContact O-OG 3.18Å; C25-S28 PolarHBondContact O-N 3.39Å; E26-S28 PolarHBondContact O-N 3.29Å; S28-K32 PolarHBondContact O-N 3.43Å
29	Q	96.6	Very high	94.6	Very high	131 Å²	131	65 Å²	65	61%	0.612	37%	0.374	S	S	*	.	H	α-helix	trans	-72	-41.6	177.5	-71.2	174.7	14.3	0	0	111.9	C25 E26 L27 K32	C25-Q29 WeakPolarHBondContact O-CG 3.47Å; C25-Q29 PolarHBondContact O-N 2.7Å; C25-Q29 VanDerWaalsContact O-N 3.08Å; E26-Q29 PolarHBondContact O-N 2.66Å; L27-Q29 PolarHBondContact O-N 3.31Å; Q29-K32 WeakPolarHBondContact O-CB 3.26Å; Q29-K32 PolarHBondContact O-N 3.19Å
30	L	96.3	Very high	96	Very high	83 Å²	83	63 Å²	63	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-67.3	-36.5	178.4	-66.3	172.6	0	0	0	112.6	F22 E26 L27 K32 I104	F22-L30 HydrophobicContact CD1-CD1 4.09Å; F22-L30 HydrophobicContact CE1-CD1 3.5Å; F22-L30 HydrophobicContact CE2-CD1 4.2Å; F22-L30 HydrophobicContact CZ-CD1 3.56Å; E26-L30 PolarHBondContact O-N 3.46Å; E26-L30 VanDerWaalsContact O-N 3.14Å; L27-L30 PolarHBondContact O-N 3.13Å; L27-L30 VanDerWaalsContact O-N 3.15Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-I104 HydrophobicContact CB-CD1 3.98Å; L30-I104 HydrophobicContact CD1-CD1 3.73Å; L30-I104 HydrophobicContact CD1-CG1 4.25Å; L30-I104 HydrophobicContact CG-CD1 4.46Å
31	L	97.7	Very high	96.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.8	-179.8	-57.9	-173.5	0	0	0	113.7	L27 D33 I34 D35 L42 L45 I46 F72 I104 I108	L27-L31 HydrophobicContact CD1-CD1 3.81Å; L27-L31 HydrophobicContact CD1-CD2 4.26Å; L27-L31 HydrophobicContact CD1-CG 3.77Å; L27-L31 HydrophobicContact CD2-CD1 4.18Å; L27-L31 HydrophobicContact CG-CD1 3.77Å; L27-L31 HydrophobicContact CG-CG 4.05Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 3.42Å; L31-D33 VanDerWaalsContact C-N 3.26Å; L31-D33 PolarHBondContact O-N 3.49Å; L31-I34 HydrophobicContact CB-CD1 4.36Å; L31-I34 HydrophobicContact CB-CG1 4.04Å; L31-I34 HydrophobicContact CD2-CD1 4.03Å; L31-I34 HydrophobicContact CD2-CG1 4.47Å; L31-I34 WeakPolarHBondContact O-CG1 3.34Å; L31-I34 PolarHBondContact O-N 3.45Å; L31-D35 PolarHBondContact O-N 3.22Å; L31-L42 HydrophobicContact CB-CD1 3.68Å; L31-L45 HydrophobicContact CD1-CD2 3.84Å; L31-L45 HydrophobicContact CD1-CG 4.04Å; L31-I46 HydrophobicContact CD1-CD1 4.08Å; L31-F72 HydrophobicContact CD1-CZ 4.46Å; L31-F72 HydrophobicContact CD2-CZ 3.94Å; L31-I104 HydrophobicContact CD2-CD1 4.39Å; L31-I108 HydrophobicContact CD2-CD1 3.56Å; L31-I108 HydrophobicContact CD2-CG1 3.62Å
32	K	96.3	Very high	96.8	Very high	122 Å²	122	57 Å²	57	53%	0.53	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-60.3	-35.6	-175.6	-171.9	172.2	-178.5	176.6	0	113.3	S28 Q29 L30 I34 D35	S28-K32 PolarHBondContact O-N 3.43Å; Q29-K32 WeakPolarHBondContact O-CB 3.26Å; Q29-K32 PolarHBondContact O-N 3.19Å; L30-K32 VanDerWaalsContact C-N 3.32Å; K32-I34 PolarHBondContact O-N 3.43Å; K32-D35 WeakPolarHBondContact O-CB 3.13Å; K32-D35 PolarHBondContact O-N 2.95Å
33	D	95.6	Very high	96.8	Very high	155 Å²	155	57.2 Å²	57.2	83%	0.829	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-72.4	-8.5	-179.3	-68.8	-10.1	0	0	0	113.1	L31	L31-D33 VanDerWaalsContact C-N 3.26Å; L31-D33 PolarHBondContact O-N 3.49Å
34	I	96.7	Very high	96.9	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.056	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-114	11.8	176.6	72.2	163.5	0	0	0	112.6	L31 K32 G36 Y37 L45 I108 K112	L31-I34 HydrophobicContact CB-CD1 4.36Å; L31-I34 HydrophobicContact CB-CG1 4.04Å; L31-I34 HydrophobicContact CD2-CD1 4.03Å; L31-I34 HydrophobicContact CD2-CG1 4.47Å; L31-I34 WeakPolarHBondContact O-CG1 3.34Å; L31-I34 PolarHBondContact O-N 3.45Å; K32-I34 PolarHBondContact O-N 3.43Å; I34-G36 PolarHBondContact O-N 3.43Å; I34-Y37 WeakPolarHBondContact O-CB 3.18Å; I34-Y37 PolarHBondContact O-N 3.4Å; I34-L45 HydrophobicContact CD1-CD2 3.55Å; I34-L45 HydrophobicContact CG1-CD2 4.1Å; I34-I108 HydrophobicContact CD1-CG2 4.28Å; I34-I108 HydrophobicContact CG2-CG2 3.97Å; I34-K112 HydrophobicContact CG2-CD 4.31Å
35	D	97.2	Very high	97	Very high	94 Å²	94	52.5 Å²	52.5	50%	0.503	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	126.2	172.2	-173.2	14.4	0	0	0	110.7	L31 K32 Y37 L42	L31-D35 PolarHBondContact O-N 3.22Å; K32-D35 WeakPolarHBondContact O-CB 3.13Å; K32-D35 PolarHBondContact O-N 2.95Å; D35-Y37 PolarHBondContact O-N 3.34Å; D35-L42 HydrophobicContact CB-CB 3.9Å; D35-L42 VanDerWaalsContact OD1-CB 3.26Å; D35-L42 WeakPolarHBondContact OD1-CB 3.31Å; D35-L42 PolarHBondContact OD1-N 2.88Å
36	G	97.4	Very high	97.1	Very high	42 Å²	42	50.6 Å²	50.6	43%	0.433	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-1.7	-176.2	0	0	0	0	0	114.8	I34 G38 G39 I40	I34-G36 PolarHBondContact O-N 3.43Å; G36-G38 PolarHBondContact O-N 2.87Å; G36-G39 PolarHBondContact O-N 2.95Å; G36-I40 WeakPolarHBondContact CA-O 3.5Å; G36-I40 PolarHBondContact N-O 3.4Å
37	Y	98.1	Very high	97.2	Very high	71 Å²	71	47.2 Å²	47.2	28%	0.278	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-59.8	134.1	175.3	-167.8	-85.4	0	0	0	110.1	I34 D35 G39 I40 K112 L115 D116	I34-Y37 WeakPolarHBondContact O-CB 3.18Å; I34-Y37 PolarHBondContact O-N 3.4Å; D35-Y37 PolarHBondContact O-N 3.34Å; Y37-G39 PolarHBondContact O-N 3.17Å; Y37-G39 VanDerWaalsContact O-N 3.13Å; Y37-I40 PolarHBondContact O-N 2.87Å; Y37-K112 HydrophobicContact CD1-CG 4.15Å; Y37-K112 HydrophobicContact CD2-CG 4.45Å; Y37-K112 HydrophobicContact CE1-CB 4.05Å; Y37-K112 HydrophobicContact CE1-CG 3.87Å; Y37-K112 HydrophobicContact CE2-CD 4.18Å; Y37-K112 HydrophobicContact CE2-CG 4.16Å; Y37-K112 HydrophobicContact CG-CG 4.44Å; Y37-L115 HydrophobicContact CD1-CB 4.2Å; Y37-L115 HydrophobicContact CD1-CD1 3.79Å; Y37-L115 HydrophobicContact CE1-CB 4.02Å; Y37-L115 HydrophobicContact CE1-CD1 4.33Å; Y37-D116 VanDerWaalsContact CE1-OD1 3.29Å; Y37-D116 WeakPolarHBondContact CE1-OD1 3.44Å; Y37-D116 VanDerWaalsContact CZ-OD1 3.3Å; Y37-D116 PolarHBondContact OH-OD1 3.43Å; Y37-D116 PolarHBondContact OH-OD2 2.03Å
38	G	94.2	Very high	97.3	Very high	61 Å²	61	47.2 Å²	47.2	63%	0.629	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	63.5	13.6	-175.5	0	0	0	0	0	114.6	G36	G36-G38 PolarHBondContact O-N 2.87Å
39	G	95.4	Very high	97.3	Very high	71 Å²	71	46.8 Å²	46.8	73%	0.732	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	78	16.6	-176.1	0	0	0	0	0	114.4	G36 Y37	G36-G39 PolarHBondContact O-N 2.95Å; Y37-G39 PolarHBondContact O-N 3.17Å; Y37-G39 VanDerWaalsContact O-N 3.13Å
40	I	97	Very high	97.4	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.067	27%	0.271	C	S	.	.			trans	-105.1	122.5	-177.2	-57.5	134.8	0	0	0	108.8	G36 Y37 E44 L45 L115 I120	G36-I40 WeakPolarHBondContact CA-O 3.5Å; G36-I40 PolarHBondContact N-O 3.4Å; Y37-I40 PolarHBondContact O-N 2.87Å; I40-E44 HydrophobicContact CG2-CB 3.84Å; I40-L45 HydrophobicContact CG2-CB 4.29Å; I40-L115 HydrophobicContact CD1-CD1 4.37Å; I40-L115 HydrophobicContact CD1-CD2 3.36Å; I40-L115 HydrophobicContact CD1-CG 4.47Å; I40-I120 HydrophobicContact CD1-CB 3.62Å; I40-I120 HydrophobicContact CD1-CD1 4.03Å; I40-I120 HydrophobicContact CD1-CG1 4.05Å; I40-I120 HydrophobicContact CD1-CG2 4.41Å; I40-I120 HydrophobicContact CG1-CB 3.89Å; I40-I120 HydrophobicContact CG1-CD1 4.41Å; I40-I120 HydrophobicContact CG1-CG1 4.11Å; I40-I120 HydrophobicContact CG1-CG2 4.27Å; I40-I120 HydrophobicContact CG2-CD1 4.3Å; I40-I120 HydrophobicContact CG2-CG1 4.41Å
41	A	97.6	Very high	97.5	Very high	37 Å²	37	45 Å²	45	31%	0.306	27%	0.269	S	S	.	.			trans	-70.4	146.4	177.8	0	0	0	0	0	110.7	P43 E44 L45	A41-P43 VanDerWaalsContact C-CD 3.43Å; A41-P43 VanDerWaalsContact C-N 3.31Å; A41-E44 HydrophobicContact CB-CG 4.29Å; A41-E44 WeakPolarHBondContact CB-OE1 3.41Å; A41-E44 PolarHBondContact N-OE1 2.87Å; A41-E44 WeakPolarHBondContact O-CB 3.2Å; A41-E44 PolarHBondContact O-N 3.32Å; A41-L45 PolarHBondContact O-N 3.36Å; A41-L45 VanDerWaalsContact O-N 3.14Å
42	L	97.7	Very high	97.5	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.12	28%	0.279	C	S	.	.	H	α-helix	trans	-50.2	-43.1	178.8	178.3	66	0	0	0	113.5	L31 D35 E44 L45 I46	L31-L42 HydrophobicContact CB-CD1 3.68Å; D35-L42 HydrophobicContact CB-CB 3.9Å; D35-L42 VanDerWaalsContact OD1-CB 3.26Å; D35-L42 WeakPolarHBondContact OD1-CB 3.31Å; D35-L42 PolarHBondContact OD1-N 2.88Å; L42-E44 VanDerWaalsContact C-N 3.3Å; L42-E44 PolarHBondContact O-N 3.17Å; L42-L45 PolarHBondContact O-N 2.9Å; L42-I46 HydrophobicContact CD1-CD1 4.27Å; L42-I46 HydrophobicContact CD1-CG1 3.87Å; L42-I46 HydrophobicContact CG-CG1 4.09Å; L42-I46 WeakPolarHBondContact O-CB 3.41Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 2.88Å
43	P	98.1	Very high	97.6	Very high	24 Å²	24	41.7 Å²	41.7	16%	0.156	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-33.1	177.5	-24.5	37.2	0	0	0	113.8	A41 C47 L134 W137 L138	A41-P43 VanDerWaalsContact C-CD 3.43Å; A41-P43 VanDerWaalsContact C-N 3.31Å; P43-C47 WeakPolarHBondContact O-CB 3.19Å; P43-C47 PolarHBondContact O-N 3.12Å; P43-L134 HydrophobicContact CB-CB 4.06Å; P43-L134 HydrophobicContact CB-CD1 4.42Å; P43-W137 HydrophobicContact CB-CB 4.05Å; P43-W137 WeakPolarHBondContact O-CB 3.43Å; P43-L138 HydrophobicContact CB-CD2 4.35Å; P43-L138 HydrophobicContact CG-CD2 3.54Å; P43-L138 HydrophobicContact CG-CG 4.45Å
44	E	98.4	Very high	97.7	Very high	34 Å²	34	35.2 Å²	35.2	16%	0.159	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-44.8	174	-62.2	-179.3	-96.1	0	0	110.5	I40 A41 L42 I46 C47 T48 H126 C130 L134	I40-E44 HydrophobicContact CG2-CB 3.84Å; A41-E44 HydrophobicContact CB-CG 4.29Å; A41-E44 WeakPolarHBondContact CB-OE1 3.41Å; A41-E44 PolarHBondContact N-OE1 2.87Å; A41-E44 WeakPolarHBondContact O-CB 3.2Å; A41-E44 PolarHBondContact O-N 3.32Å; L42-E44 VanDerWaalsContact C-N 3.3Å; L42-E44 PolarHBondContact O-N 3.17Å; E44-I46 VanDerWaalsContact C-N 3.35Å; E44-C47 PolarHBondContact O-N 3.12Å; E44-T48 WeakPolarHBondContact O-CB 3.46Å; E44-T48 PolarHBondContact O-N 3.25Å; E44-T48 PolarHBondContact O-OG1 3.23Å; E44-H126 IonicContact OE2-CD2 3.94Å; E44-H126 IonicContact OE2-CE1 3Å; E44-H126 IonicContact OE2-NE2 2.85Å; E44-H126 PolarHBondContact OE2-NE2 3.13Å; E44-C130 WeakPolarHBondContact CG-O 3.5Å; E44-L134 HydrophobicContact CG-CD1 3.42Å; E44-L134 VanDerWaalsContact CG-CD1 3.42Å; E44-L134 HydrophobicContact CG-CD2 4.29Å
45	L	98.5	Very high	97.8	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-42	178.1	-175.8	57.9	0	0	0	111.3	L31 I34 I40 A41 L42 T48 M49 I120	L31-L45 HydrophobicContact CD1-CD2 3.84Å; L31-L45 HydrophobicContact CD1-CG 4.04Å; I34-L45 HydrophobicContact CD1-CD2 3.55Å; I34-L45 HydrophobicContact CG1-CD2 4.1Å; I40-L45 HydrophobicContact CG2-CB 4.29Å; A41-L45 PolarHBondContact O-N 3.36Å; A41-L45 VanDerWaalsContact O-N 3.14Å; L42-L45 PolarHBondContact O-N 2.9Å; L45-T48 PolarHBondContact O-N 3.44Å; L45-T48 VanDerWaalsContact O-N 3.17Å; L45-M49 HydrophobicContact CD1-CE 4.13Å; L45-M49 HydrophobicContact CD1-CG 4.25Å; L45-M49 WeakPolarHBondContact O-CG 3.02Å; L45-M49 PolarHBondContact O-N 2.86Å; L45-I120 HydrophobicContact CD1-CD1 4.49Å
46	I	98.5	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-41.4	177.8	-68.5	-66.1	0	0	0	111.5	K24 L27 L31 L42 E44 T48 F50 Y55 W137	K24-I46 HydrophobicContact CD-CG2 4.38Å; K24-I46 HydrophobicContact CG-CG2 3.59Å; L27-I46 HydrophobicContact CB-CD1 4.01Å; L27-I46 HydrophobicContact CD2-CD1 3.93Å; L27-I46 HydrophobicContact CG-CD1 3.69Å; L31-I46 HydrophobicContact CD1-CD1 4.08Å; L42-I46 HydrophobicContact CD1-CD1 4.27Å; L42-I46 HydrophobicContact CD1-CG1 3.87Å; L42-I46 HydrophobicContact CG-CG1 4.09Å; L42-I46 WeakPolarHBondContact O-CB 3.41Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 2.88Å; E44-I46 VanDerWaalsContact C-N 3.35Å; I46-T48 VanDerWaalsContact C-N 3.34Å; I46-F50 PolarHBondContact O-N 2.7Å; I46-Y55 WeakPolarHBondContact CG2-OH 3.38Å; I46-Y55 WeakPolarHBondContact O-CE1 3.09Å; I46-Y55 PolarHBondContact O-OH 3Å; I46-W137 HydrophobicContact CG2-CB 4.46Å; I46-W137 HydrophobicContact CG2-CE3 4.23Å
47	C	98.8	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-46.2	169.5	176.2	0	0	0	0	111.8	P43 E44 M49 F50 H51 C130 W137	P43-C47 WeakPolarHBondContact O-CB 3.19Å; P43-C47 PolarHBondContact O-N 3.12Å; E44-C47 PolarHBondContact O-N 3.12Å; C47-M49 PolarHBondContact O-N 3.41Å; C47-F50 WeakPolarHBondContact O-CB 2.95Å; C47-F50 PolarHBondContact O-N 3.25Å; C47-H51 PolarHBondContact O-CD2 2.91Å; C47-H51 PolarHBondContact O-N 3.24Å; C47-H51 VanDerWaalsContact O-N 3.13Å; C47-C130 HydrophobicContact CB-CB 3.48Å; C47-C130 VanDerWaalsContact CB-CB 3.48Å; C47-C130 WeakPolarHBondContact CB-SG 3.26Å; C47-C130 PolarHBondContact O-SG 3.15Å; C47-C130 WeakPolarHBondContact SG-CA 3.27Å; C47-C130 WeakPolarHBondContact SG-CB 3.35Å; C47-C130 CovalentContact SG-SG 2.03Å; C47-C130 PolarHBondContact SG-SG 3.15Å; C47-W137 HydrophobicContact CB-CB 4.49Å; C47-W137 HydrophobicContact CB-CD2 3.6Å; C47-W137 VanDerWaalsContact CB-CE2 3.49Å; C47-W137 HydrophobicContact CB-CE3 4.28Å; C47-W137 HydrophobicContact CB-CG 3.65Å; C47-W137 HydrophobicContact CB-CZ2 4.11Å; C47-W137 PolarHBondContact SG-NE1 3.49Å
48	T	98.7	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-44.2	-175.5	-57.4	0	0	0	0	110.6	E44 L45 I46 F50 H51 T52 I120 W123 A125 H126 C130	E44-T48 WeakPolarHBondContact O-CB 3.46Å; E44-T48 PolarHBondContact O-N 3.25Å; E44-T48 PolarHBondContact O-OG1 3.23Å; L45-T48 PolarHBondContact O-N 3.44Å; L45-T48 VanDerWaalsContact O-N 3.17Å; I46-T48 VanDerWaalsContact C-N 3.34Å; T48-F50 VanDerWaalsContact C-N 3.32Å; T48-F50 PolarHBondContact O-N 3.04Å; T48-H51 PolarHBondContact O-N 3.22Å; T48-T52 VanDerWaalsContact O-CB 3.25Å; T48-T52 WeakPolarHBondContact O-CB 3.39Å; T48-T52 PolarHBondContact O-N 3.05Å; T48-T52 PolarHBondContact O-OG1 3.32Å; T48-I120 HydrophobicContact CG2-CD1 4.44Å; T48-W123 HydrophobicContact CG2-CB 3.46Å; T48-W123 VanDerWaalsContact CG2-CB 3.46Å; T48-W123 HydrophobicContact CG2-CG 4.11Å; T48-A125 HydrophobicContact CG2-CB 4.45Å; T48-H126 HydrophobicContact CG2-CB 3.89Å; T48-H126 WeakPolarHBondContact OG1-CB 3.05Å; T48-C130 PolarHBondContact N-SG 3.25Å
49	M	98.5	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-33	179	-66.7	-55.2	98.3	0	0	112.1	L27 L45 C47 T52 S53 Y55 L71 F72 W123	L27-M49 HydrophobicContact CD2-CB 3.92Å; L27-M49 HydrophobicContact CD2-CG 4.4Å; L45-M49 HydrophobicContact CD1-CE 4.13Å; L45-M49 HydrophobicContact CD1-CG 4.25Å; L45-M49 WeakPolarHBondContact O-CG 3.02Å; L45-M49 PolarHBondContact O-N 2.86Å; C47-M49 PolarHBondContact O-N 3.41Å; M49-T52 PolarHBondContact O-N 2.68Å; M49-S53 PolarHBondContact O-N 2.95Å; M49-S53 PolarHBondContact O-OG 3.17Å; M49-Y55 HydrophobicContact CB-CD1 3.95Å; M49-Y55 HydrophobicContact CB-CE1 3.84Å; M49-L71 HydrophobicContact CB-CD1 4.48Å; M49-F72 HydrophobicContact CE-CD1 4.09Å; M49-F72 HydrophobicContact CG-CD1 4.46Å; M49-F72 HydrophobicContact CG-CE1 4.28Å; M49-F72 HydrophobicContact SD-CB 4.39Å; M49-F72 HydrophobicContact SD-CD1 3.26Å; M49-F72 WeakPolarHBondContact SD-CD1 3.5Å; M49-F72 HydrophobicContact SD-CE1 3.63Å; M49-F72 HydrophobicContact SD-CG 3.9Å; M49-W123 HydrophobicContact CE-CD2 4.12Å; M49-W123 HydrophobicContact CE-CG 3.92Å
50	F	98.5	Very high	98.1	Very high	91 Å²	91	28.5 Å²	28.5	40%	0.399	16%	0.156	S	C	.	.	H	α-helix	trans	-61.3	-48.1	173.5	179.4	-100.3	0	0	0	111.4	I46 C47 T48 T52 G54 Y55 W137	I46-F50 PolarHBondContact O-N 2.7Å; C47-F50 WeakPolarHBondContact O-CB 2.95Å; C47-F50 PolarHBondContact O-N 3.25Å; T48-F50 VanDerWaalsContact C-N 3.32Å; T48-F50 PolarHBondContact O-N 3.04Å; F50-T52 VanDerWaalsContact C-N 3.27Å; F50-T52 PolarHBondContact O-N 3.46Å; F50-G54 WeakPolarHBondContact O-CA 3.4Å; F50-G54 PolarHBondContact O-N 3.31Å; F50-Y55 VanDerWaalsContact CA-CE1 3.5Å; F50-Y55 HydrophobicContact CB-CD1 4.46Å; F50-Y55 HydrophobicContact CB-CE1 3.72Å; F50-Y55 HydrophobicContact CB-CE2 4.13Å; F50-Y55 WeakPolarHBondContact CB-OH 3.33Å; F50-Y55 HydrophobicContact CD2-CD2 4.18Å; F50-Y55 AromaticContact CD2-CE2 3.76Å; F50-Y55 HydrophobicContact CD2-CE2 3.76Å; F50-Y55 HydrophobicContact CG-CE2 4.42Å; F50-W137 HydrophobicContact CB-CH2 3.74Å; F50-W137 HydrophobicContact CB-CZ3 3.6Å; F50-W137 AromaticContact CD1-CH2 3.38Å; F50-W137 HydrophobicContact CD1-CH2 3.38Å; F50-W137 HydrophobicContact CD1-CZ2 4.37Å; F50-W137 HydrophobicContact CD1-CZ3 4.02Å; F50-W137 HydrophobicContact CD2-CH2 4.38Å; F50-W137 HydrophobicContact CD2-CZ3 4.25Å; F50-W137 HydrophobicContact CE1-CH2 4.02Å; F50-W137 AromaticContact CG-CH2 3.57Å; F50-W137 HydrophobicContact CG-CH2 3.57Å; F50-W137 AromaticContact CG-CZ3 3.69Å; F50-W137 HydrophobicContact CG-CZ3 3.69Å
51	H	98.5	Very high	98.2	Very high	85 Å²	85	30.9 Å²	30.9	39%	0.394	17%	0.172	S	C	.	.	H	α-helix	trans	-77.5	-12.6	-179.1	-75.1	-63.6	0	0	0	113.9	C47 T48 A125 L129 W137	C47-H51 PolarHBondContact O-CD2 2.91Å; C47-H51 PolarHBondContact O-N 3.24Å; C47-H51 VanDerWaalsContact O-N 3.13Å; T48-H51 PolarHBondContact O-N 3.22Å; H51-A125 HydrophobicContact CB-CB 3.6Å; H51-L129 HydrophobicContact CB-CD1 4.06Å; H51-W137 AromaticContact NE2-CZ2 3.89Å
52	T	98.5	Very high	98.2	Very high	36 Å²	36	36.7 Å²	36.7	22%	0.221	19%	0.193	C	C	.	.	H	α-helix	trans	-88.1	-46.5	178.6	-63.7	0	0	0	0	111.7	T48 M49 F50 Q73	T48-T52 VanDerWaalsContact O-CB 3.25Å; T48-T52 WeakPolarHBondContact O-CB 3.39Å; T48-T52 PolarHBondContact O-N 3.05Å; T48-T52 PolarHBondContact O-OG1 3.32Å; M49-T52 PolarHBondContact O-N 2.68Å; F50-T52 VanDerWaalsContact C-N 3.27Å; F50-T52 PolarHBondContact O-N 3.46Å; T52-Q73 HydrophobicContact CG2-CB 3.67Å; T52-Q73 HydrophobicContact CG2-CG 3.49Å; T52-Q73 VanDerWaalsContact CG2-CG 3.49Å
53	S	98.3	Very high	98.1	Very high	18 Å²	18	39.1 Å²	39.1	13%	0.126	21%	0.205	C	C	.	.	H	α-helix	trans	-138	-2.3	-173.2	58.2	0	0	0	0	113.9	M49 Y55 D56 L71	M49-S53 PolarHBondContact O-N 2.95Å; M49-S53 PolarHBondContact O-OG 3.17Å; S53-Y55 PolarHBondContact O-N 3.14Å; S53-Y55 PolarHBondContact OG-N 2.82Å; S53-D56 WeakPolarHBondContact O-CB 3.43Å; S53-D56 PolarHBondContact O-N 2.87Å; S53-L71 WeakPolarHBondContact CB-O 3.43Å; S53-L71 PolarHBondContact OG-O 2.89Å
54	G	98	Very high	97.8	Very high	19 Å²	19	46.2 Å²	46.2	20%	0.196	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	23.5	-170.5	0	0	0	0	0	113	Q21 F50 D56	Q21-G54 WeakPolarHBondContact CG-O 3.06Å; Q21-G54 PolarHBondContact NE2-O 2.79Å; F50-G54 WeakPolarHBondContact O-CA 3.4Å; F50-G54 PolarHBondContact O-N 3.31Å; G54-D56 VanDerWaalsContact C-N 3.27Å; G54-D56 PolarHBondContact O-N 2.69Å
55	Y	98.1	Very high	97.6	Very high	9 Å²	9	50.9 Å²	50.9	4%	0.035	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	21.6	-173.9	-47	-44.6	0	0	0	115.9	Q21 F22 K24 L27 I46 M49 F50 S53 L71	Q21-Y55 WeakPolarHBondContact CA-O 3.43Å; F22-Y55 PolarHBondContact N-O 2.96Å; F22-Y55 VanDerWaalsContact O-CB 3.26Å; F22-Y55 WeakPolarHBondContact O-CB 3.45Å; F22-Y55 WeakPolarHBondContact O-CD2 3.4Å; K24-Y55 HydrophobicContact CB-CE2 4.03Å; L27-Y55 HydrophobicContact CD2-CD1 3.26Å; L27-Y55 HydrophobicContact CD2-CE1 3.47Å; L27-Y55 VanDerWaalsContact CD2-CE1 3.47Å; L27-Y55 HydrophobicContact CD2-CG 4.09Å; I46-Y55 WeakPolarHBondContact CG2-OH 3.38Å; I46-Y55 WeakPolarHBondContact O-CE1 3.09Å; I46-Y55 PolarHBondContact O-OH 3Å; M49-Y55 HydrophobicContact CB-CD1 3.95Å; M49-Y55 HydrophobicContact CB-CE1 3.84Å; F50-Y55 VanDerWaalsContact CA-CE1 3.5Å; F50-Y55 HydrophobicContact CB-CD1 4.46Å; F50-Y55 HydrophobicContact CB-CE1 3.72Å; F50-Y55 HydrophobicContact CB-CE2 4.13Å; F50-Y55 WeakPolarHBondContact CB-OH 3.33Å; F50-Y55 HydrophobicContact CD2-CD2 4.18Å; F50-Y55 AromaticContact CD2-CE2 3.76Å; F50-Y55 HydrophobicContact CD2-CE2 3.76Å; F50-Y55 HydrophobicContact CG-CE2 4.42Å; S53-Y55 PolarHBondContact O-N 3.14Å; S53-Y55 PolarHBondContact OG-N 2.82Å; Y55-L71 HydrophobicContact CD1-CD1 4.36Å
56	D	97.8	Very high	97.6	Very high	43 Å²	43	51 Å²	51	23%	0.23	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-87.7	117.4	179.2	-176.7	-0.3	0	0	0	110.7	S53 G54 Q58 A59 L71	S53-D56 WeakPolarHBondContact O-CB 3.43Å; S53-D56 PolarHBondContact O-N 2.87Å; G54-D56 VanDerWaalsContact C-N 3.27Å; G54-D56 PolarHBondContact O-N 2.69Å; D56-Q58 PolarHBondContact O-N 2.99Å; D56-Q58 PolarHBondContact OD1-N 2.93Å; D56-A59 HydrophobicContact CB-CB 4.12Å; D56-A59 WeakPolarHBondContact O-CB 3.33Å; D56-A59 PolarHBondContact O-N 2.99Å; D56-L71 PolarHBondContact O-N 3.39Å
57	T	97.4	Very high	97.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-17.7	177.1	55.4	0	0	0	0	113	K20 F22 G70 F99 L100 D101 D102 I104	K20-T57 PolarHBondContact O-N 3.3Å; K20-T57 VanDerWaalsContact O-N 3.12Å; K20-T57 PolarHBondContact O-OG1 2.93Å; K20-T57 VanDerWaalsContact O-OG1 3.12Å; F22-T57 HydrophobicContact CD2-CG2 3.91Å; F22-T57 HydrophobicContact CE2-CG2 3.43Å; F22-T57 VanDerWaalsContact CE2-CG2 3.43Å; F22-T57 HydrophobicContact CZ-CG2 4.4Å; T57-G70 WeakPolarHBondContact O-CA 3.47Å; T57-F99 VanDerWaalsContact O-O 3.1Å; T57-L100 WeakPolarHBondContact O-CA 3Å; T57-D101 WeakPolarHBondContact CB-O 3.48Å; T57-D102 PolarHBondContact OG1-OD1 2.89Å; T57-I104 HydrophobicContact CG2-CG2 3.86Å
58	Q	96.9	Very high	97.6	Very high	53 Å²	53	54 Å²	54	25%	0.248	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	13.1	179	-63.1	-172.7	22.7	0	0	112.9	L18 A19 D56 I60 L100	L18-Q58 PolarHBondContact O-NE2 2.85Å; A19-Q58 HydrophobicContact CB-CB 3.82Å; A19-Q58 HydrophobicContact CB-CG 3.96Å; D56-Q58 PolarHBondContact O-N 2.99Å; D56-Q58 PolarHBondContact OD1-N 2.93Å; Q58-I60 PolarHBondContact O-N 3.36Å; Q58-L100 WeakPolarHBondContact CG-O 3.45Å
59	A	97.9	Very high	97.6	Very high	16 Å²	16	55.3 Å²	55.3	13%	0.132	29%	0.285	C	S	.	.			trans	-60.7	123.2	176.5	0	0	0	0	0	110.9	D56 Y69 G70 Q73	D56-A59 HydrophobicContact CB-CB 4.12Å; D56-A59 WeakPolarHBondContact O-CB 3.33Å; D56-A59 PolarHBondContact O-N 2.99Å; A59-Y69 CarbonylContact O-C 3.28Å; A59-G70 PolarHBondContact O-N 2.93Å; A59-Q73 PolarHBondContact O-NE2 3.24Å
60	I	98.3	Very high	97.6	Very high	87 Å²	87	55.3 Å²	55.3	45%	0.446	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127	175.3	-64.4	174.3	0	0	0	108.4	Q58 E62 T67 E68 L100	Q58-I60 PolarHBondContact O-N 3.36Å; I60-E62 HydrophobicContact CG2-CG 4.36Å; I60-T67 HydrophobicContact CG2-CG2 3.49Å; I60-T67 VanDerWaalsContact CG2-CG2 3.49Å; I60-E68 WeakPolarHBondContact CA-O 3.35Å; I60-L100 HydrophobicContact CD1-CD1 3.71Å; I60-L100 HydrophobicContact CD1-CD2 4.16Å; I60-L100 HydrophobicContact CG1-CD1 4.16Å; I60-L100 HydrophobicContact CG1-CD2 3.71Å
61	V	98.3	Very high	97.6	Very high	64 Å²	64	51 Å²	51	39%	0.388	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	108.7	172.6	177.1	0	0	0	0	109.3	N63 T67 E68	V61-N63 PolarHBondContact O-ND2 3Å; V61-T67 WeakPolarHBondContact O-CA 3.36Å; V61-E68 HydrophobicContact CB-CB 4.42Å; V61-E68 PolarHBondContact N-O 3.23Å; V61-E68 PolarHBondContact O-N 3.41Å
62	E	97.8	Very high	97.6	Very high	159 Å²	159	47 Å²	47	74%	0.743	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	127.7	173.5	-64	-171.8	166.6	0	0	110.4	I60 T67	I60-E62 HydrophobicContact CG2-CG 4.36Å; E62-T67 HydrophobicContact CG-CG2 4.33Å
63	N	95.6	Very high	97.6	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	24%	0.239	S	C	.	.			trans	-113.3	169.5	171	-58.2	-89.1	0	0	0	109.2	V61 E65 S66	V61-N63 PolarHBondContact O-ND2 3Å; N63-E65 PolarHBondContact O-N 3.28Å; N63-S66 CarbonylContact C-O 3.57Å; N63-S66 VanDerWaalsContact CA-O 3.29Å; N63-S66 WeakPolarHBondContact CA-O 3.4Å; N63-S66 VanDerWaalsContact CB-O 3.22Å; N63-S66 WeakPolarHBondContact CB-O 3.25Å; N63-S66 PolarHBondContact N-O 3.02Å; N63-S66 VanDerWaalsContact O-O 3.13Å
64	N	93.5	Very high	97.6	Very high	174 Å²	174	44.9 Å²	44.9	93%	0.93	23%	0.233	S	C	*	.	S	Bend	trans	-52.2	-35.3	-176.2	-68.5	-21	0	0	0	114.8
65	E	94.1	Very high	97.6	Very high	132 Å²	132	44.4 Å²	44.4	62%	0.617	23%	0.227	S	C	*	.	S	Bend	trans	-128.6	0.4	-174.4	-62.6	-177.7	164.7	0	0	113.9	N63 K77 V85	N63-E65 PolarHBondContact O-N 3.28Å; E65-K77 IonicContact OE2-NZ 3.66Å; E65-K77 PolarHBondContact OE2-NZ 3.21Å; E65-V85 WeakPolarHBondContact O-CG2 3.37Å
66	S	97.6	Very high	97.7	Very high	13 Å²	13	44 Å²	44	9%	0.091	23%	0.226	C	C	.	.			trans	-158.2	163.4	-172.8	56.9	0	0	0	0	110.8	N63 N76	N63-S66 CarbonylContact C-O 3.57Å; N63-S66 VanDerWaalsContact CA-O 3.29Å; N63-S66 WeakPolarHBondContact CA-O 3.4Å; N63-S66 VanDerWaalsContact CB-O 3.22Å; N63-S66 WeakPolarHBondContact CB-O 3.25Å; N63-S66 PolarHBondContact N-O 3.02Å; N63-S66 VanDerWaalsContact O-O 3.13Å; S66-N76 VanDerWaalsContact CA-OD1 3.26Å; S66-N76 WeakPolarHBondContact CA-OD1 3.12Å; S66-N76 VanDerWaalsContact CB-OD1 3.27Å; S66-N76 WeakPolarHBondContact CB-OD1 3.26Å
67	T	98.7	Very high	97.7	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.025	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.4	175.9	-58.6	0	0	0	0	108.6	I60 V61 E62 Y69 S75 N76 Q84	I60-T67 HydrophobicContact CG2-CG2 3.49Å; I60-T67 VanDerWaalsContact CG2-CG2 3.49Å; V61-T67 WeakPolarHBondContact O-CA 3.36Å; E62-T67 HydrophobicContact CG-CG2 4.33Å; T67-Y69 WeakPolarHBondContact CB-OH 3.45Å; T67-Y69 HydrophobicContact CG2-CD2 4.2Å; T67-Y69 HydrophobicContact CG2-CE1 3.99Å; T67-Y69 HydrophobicContact CG2-CE2 3.6Å; T67-Y69 VanDerWaalsContact CG2-CZ 3.5Å; T67-Y69 WeakPolarHBondContact O-CD2 3.17Å; T67-Y69 WeakPolarHBondContact O-CE2 3.48Å; T67-S75 WeakPolarHBondContact O-CA 3.49Å; T67-N76 PolarHBondContact N-ND2 2.78Å; T67-N76 PolarHBondContact N-OD1 2.93Å; T67-N76 PolarHBondContact O-N 3.04Å; T67-N76 PolarHBondContact O-OD1 3.04Å; T67-Q84 PolarHBondContact OG1-NE2 3.12Å; T67-Q84 PolarHBondContact OG1-OE1 2.92Å
68	E	98.7	Very high	97.7	Very high	57 Å²	57	49.4 Å²	49.4	27%	0.266	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.5	173.5	-70.1	175.3	165.5	0	0	109.3	I60 V61 Q73	I60-E68 WeakPolarHBondContact CA-O 3.35Å; V61-E68 HydrophobicContact CB-CB 4.42Å; V61-E68 PolarHBondContact N-O 3.23Å; V61-E68 PolarHBondContact O-N 3.41Å; E68-Q73 HydrophobicContact CB-CB 4.04Å
69	Y	98.7	Very high	97.8	Very high	29 Å²	29	47 Å²	47	11%	0.114	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.9	-167.4	-61.2	-100.8	0	0	0	111.2	A59 T67 Q73 I74 N76 C96 L100	A59-Y69 CarbonylContact O-C 3.28Å; T67-Y69 WeakPolarHBondContact CB-OH 3.45Å; T67-Y69 HydrophobicContact CG2-CD2 4.2Å; T67-Y69 HydrophobicContact CG2-CE1 3.99Å; T67-Y69 HydrophobicContact CG2-CE2 3.6Å; T67-Y69 VanDerWaalsContact CG2-CZ 3.5Å; T67-Y69 WeakPolarHBondContact O-CD2 3.17Å; T67-Y69 WeakPolarHBondContact O-CE2 3.48Å; Y69-Q73 CarbonylContact O-C 3.55Å; Y69-Q73 VanDerWaalsContact O-CA 3.28Å; Y69-Q73 WeakPolarHBondContact O-CA 3.33Å; Y69-Q73 PolarHBondContact O-N 2.61Å; Y69-I74 WeakPolarHBondContact CD2-O 3.2Å; Y69-I74 PolarHBondContact N-O 3.03Å; Y69-I74 VanDerWaalsContact N-O 3.13Å; Y69-I74 PolarHBondContact O-N 2.91Å; Y69-N76 HydrophobicContact CE2-CB 3.71Å; Y69-N76 PolarHBondContact OH-ND2 3.22Å; Y69-C96 HydrophobicContact CD1-CB 4.04Å; Y69-C96 HydrophobicContact CD2-CB 3.74Å; Y69-C96 HydrophobicContact CE1-CB 4Å; Y69-C96 HydrophobicContact CE2-CB 3.71Å; Y69-C96 HydrophobicContact CG-CB 3.92Å; Y69-L100 HydrophobicContact CD1-CD1 3.9Å; Y69-L100 HydrophobicContact CD1-CD2 4.19Å; Y69-L100 HydrophobicContact CD1-CG 4.09Å; Y69-L100 HydrophobicContact CE1-CD1 4.44Å
70	G	98.4	Very high	97.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-168.2	162.6	0	0	0	0	0	115.7	T57 A59 F72 Q73 F99	T57-G70 WeakPolarHBondContact O-CA 3.47Å; A59-G70 PolarHBondContact O-N 2.93Å; G70-F72 PolarHBondContact O-N 3.31Å; G70-F72 VanDerWaalsContact O-N 3.17Å; G70-Q73 PolarHBondContact O-N 3.39Å; G70-Q73 PolarHBondContact O-NE2 2.95Å; G70-F99 WeakPolarHBondContact CA-O 3.21Å
71	L	98.1	Very high	97.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-40.9	-176.9	173.7	66.7	0	0	0	112.6	L27 M49 S53 Y55 D56 I104	L27-L71 HydrophobicContact CD1-CD2 3.56Å; L27-L71 HydrophobicContact CD2-CD1 4.05Å; L27-L71 HydrophobicContact CD2-CD2 4.39Å; M49-L71 HydrophobicContact CB-CD1 4.48Å; S53-L71 WeakPolarHBondContact CB-O 3.43Å; S53-L71 PolarHBondContact OG-O 2.89Å; Y55-L71 HydrophobicContact CD1-CD1 4.36Å; D56-L71 PolarHBondContact O-N 3.39Å; L71-I104 HydrophobicContact CD2-CD1 3.91Å; L71-I104 HydrophobicContact CD2-CG2 4.12Å
72	F	98.6	Very high	97.8	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.7	-177.4	-65.5	-91	0	0	0	113.8	L31 M49 G70 I74 D107 I108 A111 W123	L31-F72 HydrophobicContact CD1-CZ 4.46Å; L31-F72 HydrophobicContact CD2-CZ 3.94Å; M49-F72 HydrophobicContact CE-CD1 4.09Å; M49-F72 HydrophobicContact CG-CD1 4.46Å; M49-F72 HydrophobicContact CG-CE1 4.28Å; M49-F72 HydrophobicContact SD-CB 4.39Å; M49-F72 HydrophobicContact SD-CD1 3.26Å; M49-F72 WeakPolarHBondContact SD-CD1 3.5Å; M49-F72 HydrophobicContact SD-CE1 3.63Å; M49-F72 HydrophobicContact SD-CG 3.9Å; G70-F72 PolarHBondContact O-N 3.31Å; G70-F72 VanDerWaalsContact O-N 3.17Å; F72-I74 HydrophobicContact CB-CD1 3.96Å; F72-I74 HydrophobicContact CB-CG1 3.74Å; F72-I74 PolarHBondContact O-N 3.5Å; F72-D107 HydrophobicContact CD2-CB 3.7Å; F72-D107 HydrophobicContact CE2-CB 3.83Å; F72-I108 HydrophobicContact CE2-CG1 4.08Å; F72-I108 HydrophobicContact CZ-CG1 3.98Å; F72-A111 HydrophobicContact CD1-CB 3.58Å; F72-A111 HydrophobicContact CD2-CB 4.44Å; F72-A111 HydrophobicContact CE1-CB 3.74Å; F72-A111 HydrophobicContact CG-CB 3.96Å; F72-A111 HydrophobicContact CZ-CB 4.21Å; F72-W123 HydrophobicContact CB-CZ2 4.32Å; F72-W123 HydrophobicContact CD1-CZ2 4.06Å; F72-W123 PolarHBondContact O-NE1 3.16Å
73	Q	98.8	Very high	97.6	Very high	9 Å²	9	44.5 Å²	44.5	4%	0.042	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	54.8	-179.2	-68.9	-64.1	-70.1	0	0	112.5	T52 A59 E68 Y69 G70 Y122	T52-Q73 HydrophobicContact CG2-CB 3.67Å; T52-Q73 HydrophobicContact CG2-CG 3.49Å; T52-Q73 VanDerWaalsContact CG2-CG 3.49Å; A59-Q73 PolarHBondContact O-NE2 3.24Å; E68-Q73 HydrophobicContact CB-CB 4.04Å; Y69-Q73 CarbonylContact O-C 3.55Å; Y69-Q73 VanDerWaalsContact O-CA 3.28Å; Y69-Q73 WeakPolarHBondContact O-CA 3.33Å; Y69-Q73 PolarHBondContact O-N 2.61Å; G70-Q73 PolarHBondContact O-N 3.39Å; G70-Q73 PolarHBondContact O-NE2 2.95Å; Q73-Y122 PolarHBondContact O-OH 3.49Å
74	I	98.8	Very high	97.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.1	-174.5	-60.8	177.9	0	0	0	109.5	Y69 F72 W79 F99 C110 I114	Y69-I74 WeakPolarHBondContact CD2-O 3.2Å; Y69-I74 PolarHBondContact N-O 3.03Å; Y69-I74 VanDerWaalsContact N-O 3.13Å; Y69-I74 PolarHBondContact O-N 2.91Å; F72-I74 HydrophobicContact CB-CD1 3.96Å; F72-I74 HydrophobicContact CB-CG1 3.74Å; F72-I74 PolarHBondContact O-N 3.5Å; I74-W79 HydrophobicContact CG2-CB 3.37Å; I74-W79 HydrophobicContact CG2-CG 3.92Å; I74-F99 HydrophobicContact CB-CD2 3.9Å; I74-F99 HydrophobicContact CB-CE2 3.78Å; I74-F99 HydrophobicContact CD1-CD1 4.41Å; I74-F99 HydrophobicContact CD1-CD2 4.25Å; I74-F99 HydrophobicContact CD1-CE1 4.2Å; I74-F99 HydrophobicContact CD1-CE2 4Å; I74-F99 HydrophobicContact CD1-CG 4.44Å; I74-F99 HydrophobicContact CD1-CZ 3.98Å; I74-F99 HydrophobicContact CG1-CE2 4.48Å; I74-F99 HydrophobicContact CG2-CD2 4.11Å; I74-F99 HydrophobicContact CG2-CE2 3.48Å; I74-F99 VanDerWaalsContact CG2-CE2 3.48Å; I74-F99 HydrophobicContact CG2-CZ 4.15Å; I74-C110 HydrophobicContact CD1-CB 3.84Å; I74-I114 HydrophobicContact CD1-CD1 4.31Å; I74-I114 HydrophobicContact CG1-CD1 3.96Å; I74-I114 HydrophobicContact CG2-CD1 4.13Å
75	S	98.6	Very high	97.7	Very high	10 Å²	10	37.3 Å²	37.3	7%	0.07	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.1	-173.3	-174.8	0	0	0	0	113.8	T67 K77 L78 W79 Y122	T67-S75 WeakPolarHBondContact O-CA 3.49Å; S75-K77 PolarHBondContact O-N 2.79Å; S75-K77 WeakPolarHBondContact OG-CB 3.49Å; S75-K77 PolarHBondContact OG-N 3.01Å; S75-L78 PolarHBondContact O-N 3.17Å; S75-W79 WeakPolarHBondContact O-CB 3.47Å; S75-W79 PolarHBondContact O-N 2.97Å; S75-Y122 PolarHBondContact N-OH 2.84Å
76	N	98.5	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.8	169.3	68.1	6.9	0	0	0	114.1	S66 T67 Y69 L78 S82 Q84 V85 S88 C96	S66-N76 VanDerWaalsContact CA-OD1 3.26Å; S66-N76 WeakPolarHBondContact CA-OD1 3.12Å; S66-N76 VanDerWaalsContact CB-OD1 3.27Å; S66-N76 WeakPolarHBondContact CB-OD1 3.26Å; T67-N76 PolarHBondContact N-ND2 2.78Å; T67-N76 PolarHBondContact N-OD1 2.93Å; T67-N76 PolarHBondContact O-N 3.04Å; T67-N76 PolarHBondContact O-OD1 3.04Å; Y69-N76 HydrophobicContact CE2-CB 3.71Å; Y69-N76 PolarHBondContact OH-ND2 3.22Å; N76-L78 PolarHBondContact O-N 2.93Å; N76-S82 PolarHBondContact ND2-OG 2.99Å; N76-Q84 PolarHBondContact ND2-OE1 3.26Å; N76-V85 WeakPolarHBondContact OD1-CG2 3.49Å; N76-S88 WeakPolarHBondContact O-CB 3.15Å; N76-S88 PolarHBondContact O-OG 3.5Å; N76-C96 WeakPolarHBondContact CB-SG 3.26Å
77	K	97.7	Very high	97.5	Very high	110 Å²	110	42.3 Å²	42.3	48%	0.478	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.6	177.4	-164.6	163.4	-172.7	154.3	0	112.2	E65 S75	E65-K77 IonicContact OE2-NZ 3.66Å; E65-K77 PolarHBondContact OE2-NZ 3.21Å; S75-K77 PolarHBondContact O-N 2.79Å; S75-K77 WeakPolarHBondContact OG-CB 3.49Å; S75-K77 PolarHBondContact OG-N 3.01Å
78	L	98	Very high	97.4	Very high	46 Å²	46	43 Å²	43	24%	0.241	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.8	-38.4	-171.5	-172.1	64.9	0	0	0	114.3	S75 N76 R89 N90 I91	S75-L78 PolarHBondContact O-N 3.17Å; N76-L78 PolarHBondContact O-N 2.93Å; L78-R89 HydrophobicContact CD1-CB 4.04Å; L78-R89 HydrophobicContact CD1-CG 4.03Å; L78-N90 PolarHBondContact O-N 3.3Å; L78-N90 VanDerWaalsContact O-N 3.16Å; L78-I91 HydrophobicContact CD1-CD1 3.85Å; L78-I91 HydrophobicContact CD2-CD1 4.12Å; L78-I91 HydrophobicContact CG-CD1 3.7Å; L78-I91 HydrophobicContact CG-CG1 4.44Å; L78-I91 PolarHBondContact O-N 3.29Å
79	W	98.8	Very high	97.3	Very high	3 Å²	3	50 Å²	50	1%	0.011	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-39.7	-161.3	-61	112.3	0	0	0	113.6	I74 S75 N90 I91 C92 I114 I117 K118 Y122	I74-W79 HydrophobicContact CG2-CB 3.37Å; I74-W79 HydrophobicContact CG2-CG 3.92Å; S75-W79 WeakPolarHBondContact O-CB 3.47Å; S75-W79 PolarHBondContact O-N 2.97Å; W79-N90 CarbonylContact O-C 3.57Å; W79-N90 VanDerWaalsContact O-C 3.28Å; W79-N90 PolarHBondContact O-OD1 2.99Å; W79-I91 HydrophobicContact CE3-CB 3.87Å; W79-I91 HydrophobicContact CE3-CD1 4.21Å; W79-I91 HydrophobicContact CE3-CG2 4.01Å; W79-I91 HydrophobicContact CZ3-CB 4.16Å; W79-I91 HydrophobicContact CZ3-CD1 4.02Å; W79-I91 HydrophobicContact CZ3-CG2 3.86Å; W79-I91 PolarHBondContact O-N 3.32Å; W79-I91 VanDerWaalsContact O-N 3.14Å; W79-C92 VanDerWaalsContact O-CB 3.29Å; W79-C92 WeakPolarHBondContact O-CB 3.4Å; W79-C92 PolarHBondContact O-N 2.79Å; W79-I114 HydrophobicContact CD2-CD1 4.02Å; W79-I114 HydrophobicContact CD2-CG1 3.62Å; W79-I114 HydrophobicContact CE3-CD1 4.49Å; W79-I114 HydrophobicContact CE3-CG1 3.7Å; W79-I114 HydrophobicContact CG-CD1 4.15Å; W79-I114 HydrophobicContact CG-CG1 4.27Å; W79-I114 HydrophobicContact CH2-CB 4.22Å; W79-I114 HydrophobicContact CH2-CG1 3.8Å; W79-I114 HydrophobicContact CH2-CG2 4.5Å; W79-I114 HydrophobicContact CZ2-CB 4.24Å; W79-I114 HydrophobicContact CZ2-CG1 3.71Å; W79-I114 HydrophobicContact CZ2-CG2 4.13Å; W79-I114 HydrophobicContact CZ3-CG1 3.78Å; W79-I117 HydrophobicContact CH2-CB 4.12Å; W79-I117 HydrophobicContact CH2-CD1 4.12Å; W79-I117 HydrophobicContact CH2-CG2 4.2Å; W79-I117 HydrophobicContact CZ3-CD1 3.92Å; W79-K118 HydrophobicContact CH2-CG 4.11Å; W79-K118 HydrophobicContact CZ2-CG 3.8Å; W79-Y122 HydrophobicContact CZ2-CE2 4.49Å; W79-Y122 AromaticContact NE1-CE2 3.3Å; W79-Y122 VanDerWaalsContact NE1-CE2 3.3Å; W79-Y122 AromaticContact NE1-CZ 3.6Å
80	C	98.8	Very high	97.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-127.9	167.3	-178.3	59.1	0	0	0	0	111.7	S88 N90 I94 C96 F99	C80-S88 WeakPolarHBondContact O-CB 3.4Å; C80-S88 PolarHBondContact O-OG 3.4Å; C80-N90 VanDerWaalsContact CA-OD1 3.27Å; C80-N90 WeakPolarHBondContact CA-OD1 3.18Å; C80-I94 WeakPolarHBondContact CA-O 3.45Å; C80-I94 HydrophobicContact CB-CG2 4.13Å; C80-I94 WeakPolarHBondContact CB-O 3.45Å; C80-C96 HydrophobicContact CB-CB 3.93Å; C80-C96 WeakPolarHBondContact CB-SG 3.15Å; C80-C96 VanDerWaalsContact SG-CA 3.51Å; C80-C96 WeakPolarHBondContact SG-CB 3.28Å; C80-C96 CovalentContact SG-SG 2.02Å; C80-C96 PolarHBondContact SG-SG 3.42Å; C80-F99 HydrophobicContact CB-CD2 4.38Å; C80-F99 HydrophobicContact CB-CE2 3.54Å; C80-F99 HydrophobicContact CB-CZ 4.2Å
81	K	98.5	Very high	97.3	Very high	133 Å²	133	52.7 Å²	52.7	58%	0.578	27%	0.265	S	S	*	.	B	Isolated β-bridge	trans	-93.2	134.1	178.5	-172.5	178	-178.6	-179.4	0	111.3	N90 I94 C96	K81-N90 HydrophobicContact CB-CB 4.33Å; K81-N90 PolarHBondContact N-OD1 3.2Å; K81-I94 PolarHBondContact N-O 3.39Å; K81-C96 VanDerWaalsContact C-SG 3.53Å; K81-C96 PolarHBondContact O-N 3.34Å; K81-C96 PolarHBondContact O-SG 3.13Å
82	S	97	Very high	97.3	Very high	19 Å²	19	53.4 Å²	53.4	13%	0.133	27%	0.27	C	S	.	.			trans	-141.8	164.2	167.7	72.6	0	0	0	0	110	N76 Q84 V85	N76-S82 PolarHBondContact ND2-OG 2.99Å; S82-Q84 VanDerWaalsContact C-N 3.29Å; S82-Q84 PolarHBondContact OG-N 3.41Å; S82-V85 PolarHBondContact OG-N 2.95Å
83	S	94.6	Very high	97.3	Very high	122 Å²	122	59.9 Å²	59.9	85%	0.853	30%	0.304	S	S	*	.	S	Bend	trans	-70.3	-25.1	172.5	53.7	0	0	0	0	113.1
84	Q	94.4	Very high	97.3	Very high	91 Å²	91	61.2 Å²	61.2	43%	0.425	31%	0.311	S	S	.	.	S	Bend	trans	-66.6	-39	179.8	-173.4	-171.2	24.2	0	0	111.9	T67 N76 S82 P86	T67-Q84 PolarHBondContact OG1-NE2 3.12Å; T67-Q84 PolarHBondContact OG1-OE1 2.92Å; N76-Q84 PolarHBondContact ND2-OE1 3.26Å; S82-Q84 VanDerWaalsContact C-N 3.29Å; S82-Q84 PolarHBondContact OG-N 3.41Å; Q84-P86 WeakPolarHBondContact O-CD 3.46Å
85	V	96.1	Very high	97.3	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.03	33%	0.328	C	S	.	.			trans	-123.8	73.7	-178.2	-168.7	0	0	0	0	109.7	E65 N76 S82 Q87 S88	E65-V85 WeakPolarHBondContact O-CG2 3.37Å; N76-V85 WeakPolarHBondContact OD1-CG2 3.49Å; S82-V85 PolarHBondContact OG-N 2.95Å; V85-Q87 HydrophobicContact CG1-CG 4.3Å; V85-Q87 PolarHBondContact O-N 3.04Å; V85-Q87 VanDerWaalsContact O-N 3.14Å; V85-S88 WeakPolarHBondContact O-CB 3.47Å; V85-S88 PolarHBondContact O-N 3.44Å; V85-S88 VanDerWaalsContact O-N 3.07Å
86	P	92.8	Very high	97.3	Very high	103 Å²	103	63.1 Å²	63.1	67%	0.669	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-175	25.9	-35.2	0	0	0	113.6	Q84 S88	Q84-P86 WeakPolarHBondContact O-CD 3.46Å; P86-S88 VanDerWaalsContact C-N 3.33Å
87	Q	94.7	Very high	97.2	Very high	147 Å²	147	67.4 Å²	67.4	69%	0.687	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	4.6	177.4	73.5	-81.1	12.6	0	0	114.5	V85	V85-Q87 HydrophobicContact CG1-CG 4.3Å; V85-Q87 PolarHBondContact O-N 3.04Å; V85-Q87 VanDerWaalsContact O-N 3.14Å
88	S	96.1	Very high	97.2	Very high	18 Å²	18	66.9 Å²	66.9	13%	0.126	35%	0.346	C	S	.	.			trans	-52.8	141.6	176	178.9	0	0	0	0	111.1	N76 C80 V85 P86 N90	N76-S88 WeakPolarHBondContact O-CB 3.15Å; N76-S88 PolarHBondContact O-OG 3.5Å; C80-S88 WeakPolarHBondContact O-CB 3.4Å; C80-S88 PolarHBondContact O-OG 3.4Å; V85-S88 WeakPolarHBondContact O-CB 3.47Å; V85-S88 PolarHBondContact O-N 3.44Å; V85-S88 VanDerWaalsContact O-N 3.07Å; P86-S88 VanDerWaalsContact C-N 3.33Å; S88-N90 PolarHBondContact O-N 3.22Å; S88-N90 PolarHBondContact OG-N 3.11Å; S88-N90 VanDerWaalsContact OG-N 3.15Å
89	R	97.4	Very high	97.3	Very high	203 Å²	203	64.7 Å²	64.7	77%	0.766	33%	0.334	S	S	*	.			trans	-71.2	-16	173.4	-64.7	-169.1	-179.3	179.2	-0.6	112.8	L78 I91	L78-R89 HydrophobicContact CD1-CB 4.04Å; L78-R89 HydrophobicContact CD1-CG 4.03Å; R89-I91 VanDerWaalsContact C-N 3.31Å; R89-I91 HydrophobicContact CB-CG1 4.09Å; R89-I91 PolarHBondContact O-N 2.9Å
90	N	98.4	Very high	97.2	Very high	30 Å²	30	66.4 Å²	66.4	16%	0.16	34%	0.343	C	S	.	.			trans	47	50.9	179.6	-171	28.7	0	0	0	112.6	L78 W79 C80 K81 S88 C92 D93 I94	L78-N90 PolarHBondContact O-N 3.3Å; L78-N90 VanDerWaalsContact O-N 3.16Å; W79-N90 CarbonylContact O-C 3.57Å; W79-N90 VanDerWaalsContact O-C 3.28Å; W79-N90 PolarHBondContact O-OD1 2.99Å; C80-N90 VanDerWaalsContact CA-OD1 3.27Å; C80-N90 WeakPolarHBondContact CA-OD1 3.18Å; K81-N90 HydrophobicContact CB-CB 4.33Å; K81-N90 PolarHBondContact N-OD1 3.2Å; S88-N90 PolarHBondContact O-N 3.22Å; S88-N90 PolarHBondContact OG-N 3.11Å; S88-N90 VanDerWaalsContact OG-N 3.15Å; N90-C92 PolarHBondContact O-N 3.29Å; N90-C92 VanDerWaalsContact O-N 3.16Å; N90-D93 WeakPolarHBondContact ND2-CA 3.39Å; N90-D93 PolarHBondContact ND2-OD1 3.26Å; N90-D93 WeakPolarHBondContact O-CA 3.18Å; N90-D93 PolarHBondContact O-N 3.06Å; N90-D93 PolarHBondContact OD1-N 3.19Å; N90-I94 PolarHBondContact OD1-N 2.66Å; N90-I94 PolarHBondContact OD1-O 3.13Å
91	I	98.7	Very high	97	Very high	57 Å²	57	68.9 Å²	68.9	29%	0.292	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.4	-173.7	-65.2	178.4	0	0	0	112.7	L78 W79 R89 D93 K113 I117	L78-I91 HydrophobicContact CD1-CD1 3.85Å; L78-I91 HydrophobicContact CD2-CD1 4.12Å; L78-I91 HydrophobicContact CG-CD1 3.7Å; L78-I91 HydrophobicContact CG-CG1 4.44Å; L78-I91 PolarHBondContact O-N 3.29Å; W79-I91 HydrophobicContact CE3-CB 3.87Å; W79-I91 HydrophobicContact CE3-CD1 4.21Å; W79-I91 HydrophobicContact CE3-CG2 4.01Å; W79-I91 HydrophobicContact CZ3-CB 4.16Å; W79-I91 HydrophobicContact CZ3-CD1 4.02Å; W79-I91 HydrophobicContact CZ3-CG2 3.86Å; W79-I91 PolarHBondContact O-N 3.32Å; W79-I91 VanDerWaalsContact O-N 3.14Å; R89-I91 VanDerWaalsContact C-N 3.31Å; R89-I91 HydrophobicContact CB-CG1 4.09Å; R89-I91 PolarHBondContact O-N 2.9Å; I91-D93 VanDerWaalsContact C-N 3.25Å; I91-D93 PolarHBondContact O-N 3.42Å; I91-K113 PolarHBondContact O-NZ 2.48Å; I91-I117 HydrophobicContact CG2-CD1 4.09Å
92	C	98.8	Very high	96.8	Very high	15 Å²	15	66.6 Å²	66.6	10%	0.101	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.9	177.3	-65.4	0	0	0	0	113.2	W79 N90 I94 C110 K113	W79-C92 VanDerWaalsContact O-CB 3.29Å; W79-C92 WeakPolarHBondContact O-CB 3.4Å; W79-C92 PolarHBondContact O-N 2.79Å; N90-C92 PolarHBondContact O-N 3.29Å; N90-C92 VanDerWaalsContact O-N 3.16Å; C92-I94 HydrophobicContact CB-CG2 3.79Å; C92-C110 HydrophobicContact CB-CB 3.74Å; C92-C110 WeakPolarHBondContact CB-SG 3.29Å; C92-C110 WeakPolarHBondContact SG-CA 3.42Å; C92-C110 WeakPolarHBondContact SG-CB 3.42Å; C92-C110 CovalentContact SG-SG 2.02Å; C92-C110 PolarHBondContact SG-SG 3.36Å; C92-K113 PolarHBondContact O-NZ 3.13Å
93	D	98.3	Very high	96.7	Very high	136 Å²	136	70.1 Å²	70.1	73%	0.727	37%	0.368	S	S	*	.			trans	56.2	49.9	-176.2	-163.1	29.3	0	0	0	113.2	N90 I91	N90-D93 WeakPolarHBondContact ND2-CA 3.39Å; N90-D93 PolarHBondContact ND2-OD1 3.26Å; N90-D93 WeakPolarHBondContact O-CA 3.18Å; N90-D93 PolarHBondContact O-N 3.06Å; N90-D93 PolarHBondContact OD1-N 3.19Å; I91-D93 VanDerWaalsContact C-N 3.25Å; I91-D93 PolarHBondContact O-N 3.42Å
94	I	98.5	Very high	96.8	Very high	37 Å²	37	64.6 Å²	64.6	19%	0.19	33%	0.329	C	S	.	.	S	Bend	trans	-148.9	154.3	-173	-163.7	165	0	0	0	111.9	C80 K81 N90 C92 K98 F99 D106	C80-I94 WeakPolarHBondContact CA-O 3.45Å; C80-I94 HydrophobicContact CB-CG2 4.13Å; C80-I94 WeakPolarHBondContact CB-O 3.45Å; K81-I94 PolarHBondContact N-O 3.39Å; N90-I94 PolarHBondContact OD1-N 2.66Å; N90-I94 PolarHBondContact OD1-O 3.13Å; C92-I94 HydrophobicContact CB-CG2 3.79Å; I94-K98 HydrophobicContact CD1-CB 3.77Å; I94-K98 HydrophobicContact CD1-CG 4.12Å; I94-K98 HydrophobicContact CG1-CB 3.94Å; I94-K98 HydrophobicContact CG1-CG 3.95Å; I94-F99 HydrophobicContact CD1-CE1 4.32Å; I94-F99 HydrophobicContact CG2-CE1 3.85Å; I94-F99 HydrophobicContact CG2-CE2 4.16Å; I94-F99 HydrophobicContact CG2-CZ 3.38Å; I94-D106 HydrophobicContact CD1-CB 3.62Å; I94-D106 WeakPolarHBondContact CD1-OD2 3.44Å
95	S	98.5	Very high	97	Very high	49 Å²	49	63.9 Å²	63.9	34%	0.343	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-78.1	136.6	173.3	-155.9	0	0	0	0	110.4	D97 K98	S95-D97 WeakPolarHBondContact CB-OD1 3.39Å; S95-D97 PolarHBondContact O-N 2.97Å; S95-D97 PolarHBondContact OG-OD1 3.18Å; S95-K98 WeakPolarHBondContact O-CB 3.34Å; S95-K98 PolarHBondContact O-N 3.49Å
96	C	98.6	Very high	97.1	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.007	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-63.8	-23.2	-175.3	-57.8	0	0	0	0	113.8	Y69 N76 C80 K81 K98 F99	Y69-C96 HydrophobicContact CD1-CB 4.04Å; Y69-C96 HydrophobicContact CD2-CB 3.74Å; Y69-C96 HydrophobicContact CE1-CB 4Å; Y69-C96 HydrophobicContact CE2-CB 3.71Å; Y69-C96 HydrophobicContact CG-CB 3.92Å; N76-C96 WeakPolarHBondContact CB-SG 3.26Å; C80-C96 HydrophobicContact CB-CB 3.93Å; C80-C96 WeakPolarHBondContact CB-SG 3.15Å; C80-C96 VanDerWaalsContact SG-CA 3.51Å; C80-C96 WeakPolarHBondContact SG-CB 3.28Å; C80-C96 CovalentContact SG-SG 2.02Å; C80-C96 PolarHBondContact SG-SG 3.42Å; K81-C96 VanDerWaalsContact C-SG 3.53Å; K81-C96 PolarHBondContact O-N 3.34Å; K81-C96 PolarHBondContact O-SG 3.13Å; C96-K98 PolarHBondContact O-N 2.94Å; C96-F99 PolarHBondContact O-N 2.77Å
97	D	97	Very high	97.4	Very high	91 Å²	91	60.2 Å²	60.2	49%	0.487	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-65.7	-18.2	175	56.3	-76.2	0	0	0	113.5	S95 F99 L100	S95-D97 WeakPolarHBondContact CB-OD1 3.39Å; S95-D97 PolarHBondContact O-N 2.97Å; S95-D97 PolarHBondContact OG-OD1 3.18Å; D97-F99 VanDerWaalsContact C-N 3.29Å; D97-F99 PolarHBondContact O-N 3.04Å; D97-L100 PolarHBondContact O-N 3.33Å
98	K	98.2	Very high	97.6	Very high	99 Å²	99	54.3 Å²	54.3	43%	0.43	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-68.9	-28.6	175.4	-66	-55.7	-164.3	173.2	0	113.3	I94 S95 C96 L100 D106	I94-K98 HydrophobicContact CD1-CB 3.77Å; I94-K98 HydrophobicContact CD1-CG 4.12Å; I94-K98 HydrophobicContact CG1-CB 3.94Å; I94-K98 HydrophobicContact CG1-CG 3.95Å; S95-K98 WeakPolarHBondContact O-CB 3.34Å; S95-K98 PolarHBondContact O-N 3.49Å; C96-K98 PolarHBondContact O-N 2.94Å; K98-L100 PolarHBondContact O-N 3.35Å; K98-L100 VanDerWaalsContact O-N 3.11Å; K98-D106 WeakPolarHBondContact CB-OD2 3.38Å
99	F	98.5	Very high	97.7	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-74.8	4.6	173.5	-52.3	-37.6	0	0	0	114	T57 G70 I74 C80 I94 C96 D97 D107 C110	T57-F99 VanDerWaalsContact O-O 3.1Å; G70-F99 WeakPolarHBondContact CA-O 3.21Å; I74-F99 HydrophobicContact CB-CD2 3.9Å; I74-F99 HydrophobicContact CB-CE2 3.78Å; I74-F99 HydrophobicContact CD1-CD1 4.41Å; I74-F99 HydrophobicContact CD1-CD2 4.25Å; I74-F99 HydrophobicContact CD1-CE1 4.2Å; I74-F99 HydrophobicContact CD1-CE2 4Å; I74-F99 HydrophobicContact CD1-CG 4.44Å; I74-F99 HydrophobicContact CD1-CZ 3.98Å; I74-F99 HydrophobicContact CG1-CE2 4.48Å; I74-F99 HydrophobicContact CG2-CD2 4.11Å; I74-F99 HydrophobicContact CG2-CE2 3.48Å; I74-F99 VanDerWaalsContact CG2-CE2 3.48Å; I74-F99 HydrophobicContact CG2-CZ 4.15Å; C80-F99 HydrophobicContact CB-CD2 4.38Å; C80-F99 HydrophobicContact CB-CE2 3.54Å; C80-F99 HydrophobicContact CB-CZ 4.2Å; I94-F99 HydrophobicContact CD1-CE1 4.32Å; I94-F99 HydrophobicContact CG2-CE1 3.85Å; I94-F99 HydrophobicContact CG2-CE2 4.16Å; I94-F99 HydrophobicContact CG2-CZ 3.38Å; C96-F99 PolarHBondContact O-N 2.77Å; D97-F99 VanDerWaalsContact C-N 3.29Å; D97-F99 PolarHBondContact O-N 3.04Å; F99-D107 WeakPolarHBondContact CA-OD1 3.29Å; F99-D107 WeakPolarHBondContact CB-OD1 3.22Å; F99-D107 HydrophobicContact CD1-CB 4.35Å; F99-C110 HydrophobicContact CE1-CB 3.96Å; F99-C110 HydrophobicContact CZ-CB 3.76Å
100	L	97.6	Very high	97.8	Very high	38 Å²	38	49.5 Å²	49.5	20%	0.199	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-110.5	14.7	-178.9	-60.1	177.8	0	0	0	113	T57 Q58 I60 Y69 D97 K98	T57-L100 WeakPolarHBondContact O-CA 3Å; Q58-L100 WeakPolarHBondContact CG-O 3.45Å; I60-L100 HydrophobicContact CD1-CD1 3.71Å; I60-L100 HydrophobicContact CD1-CD2 4.16Å; I60-L100 HydrophobicContact CG1-CD1 4.16Å; I60-L100 HydrophobicContact CG1-CD2 3.71Å; Y69-L100 HydrophobicContact CD1-CD1 3.9Å; Y69-L100 HydrophobicContact CD1-CD2 4.19Å; Y69-L100 HydrophobicContact CD1-CG 4.09Å; Y69-L100 HydrophobicContact CE1-CD1 4.44Å; D97-L100 PolarHBondContact O-N 3.33Å; K98-L100 PolarHBondContact O-N 3.35Å; K98-L100 VanDerWaalsContact O-N 3.11Å
101	D	94.9	Very high	97.8	Very high	53 Å²	53	48.1 Å²	48.1	28%	0.283	26%	0.257	S	S	.	.	S	Bend	trans	-110.1	176.7	173.1	74.7	50.7	0	0	0	111.9	T57 D103	T57-D101 WeakPolarHBondContact CB-O 3.48Å; D101-D103 VanDerWaalsContact C-N 3.35Å; D101-D103 WeakPolarHBondContact OD1-CA 3.46Å; D101-D103 WeakPolarHBondContact OD1-CB 3.2Å; D101-D103 PolarHBondContact OD1-N 2.77Å
102	D	93.3	Very high	97.8	Very high	84 Å²	84	48.4 Å²	48.4	45%	0.449	26%	0.256	S	S	.	.	S	Bend	trans	-85.3	-10	-173	-63.5	-13.1	0	0	0	112.7	K20 T57 I104	K20-D102 HydrophobicContact CB-CB 4.41Å; K20-D102 VanDerWaalsContact CB-CG 3.46Å; K20-D102 WeakPolarHBondContact CB-OD1 3.4Å; T57-D102 PolarHBondContact OG1-OD1 2.89Å; D102-I104 PolarHBondContact O-N 3.05Å
103	D	95.7	Very high	97.8	Very high	94 Å²	94	51.7 Å²	51.7	50%	0.503	27%	0.269	S	S	.	.			trans	-87.4	87.2	174.7	-178	7	0	0	0	110	D101 T105 D106	D101-D103 VanDerWaalsContact C-N 3.35Å; D101-D103 WeakPolarHBondContact OD1-CA 3.46Å; D101-D103 WeakPolarHBondContact OD1-CB 3.2Å; D101-D103 PolarHBondContact OD1-N 2.77Å; D103-T105 PolarHBondContact O-N 2.95Å; D103-T105 WeakPolarHBondContact OD1-CB 3.33Å; D103-T105 PolarHBondContact OD1-N 3.25Å; D103-T105 PolarHBondContact OD1-OG1 3.36Å; D103-D106 VanDerWaalsContact O-OD1 3.09Å
104	I	97.1	Very high	97.8	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	16.3	-177.7	65.1	168.5	0	0	0	114.5	F22 L27 L30 L31 T57 L71 D102 D107 I108	F22-I104 HydrophobicContact CE2-CD1 4.35Å; F22-I104 HydrophobicContact CE2-CG2 3.9Å; L27-I104 HydrophobicContact CD1-CD1 3.87Å; L30-I104 HydrophobicContact CB-CD1 3.98Å; L30-I104 HydrophobicContact CD1-CD1 3.73Å; L30-I104 HydrophobicContact CD1-CG1 4.25Å; L30-I104 HydrophobicContact CG-CD1 4.46Å; L31-I104 HydrophobicContact CD2-CD1 4.39Å; T57-I104 HydrophobicContact CG2-CG2 3.86Å; L71-I104 HydrophobicContact CD2-CD1 3.91Å; L71-I104 HydrophobicContact CD2-CG2 4.12Å; D102-I104 PolarHBondContact O-N 3.05Å; I104-D107 HydrophobicContact CB-CB 4.17Å; I104-D107 WeakPolarHBondContact O-CB 3.39Å; I104-D107 PolarHBondContact O-N 2.93Å; I104-I108 HydrophobicContact CD1-CD1 3.93Å; I104-I108 HydrophobicContact CD1-CG1 4.44Å; I104-I108 HydrophobicContact CG1-CD1 3.91Å; I104-I108 HydrophobicContact CG1-CG1 4.48Å; I104-I108 WeakPolarHBondContact O-CB 3.41Å; I104-I108 WeakPolarHBondContact O-CD1 3.07Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.35Å
105	T	98.3	Very high	97.8	Very high	76 Å²	76	44.2 Å²	44.2	47%	0.466	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-44.8	-175.5	-61.2	0	0	0	0	111.6	D103 M109	D103-T105 PolarHBondContact O-N 2.95Å; D103-T105 WeakPolarHBondContact OD1-CB 3.33Å; D103-T105 PolarHBondContact OD1-N 3.25Å; D103-T105 PolarHBondContact OD1-OG1 3.36Å; T105-M109 HydrophobicContact CG2-CE 3.93Å; T105-M109 WeakPolarHBondContact O-CG 3.46Å; T105-M109 PolarHBondContact O-N 3.43Å; T105-M109 VanDerWaalsContact O-N 3.13Å
106	D	98.3	Very high	97.8	Very high	30 Å²	30	47 Å²	47	16%	0.16	24%	0.24	C	C	.	.	H	α-helix	trans	-74	-32.6	175.8	58.4	-55.6	0	0	0	112.7	I94 K98 D103 M109 C110	I94-D106 HydrophobicContact CD1-CB 3.62Å; I94-D106 WeakPolarHBondContact CD1-OD2 3.44Å; K98-D106 WeakPolarHBondContact CB-OD2 3.38Å; D103-D106 VanDerWaalsContact O-OD1 3.09Å; D106-M109 PolarHBondContact O-N 3.19Å; D106-C110 PolarHBondContact O-N 3.39Å
107	D	98.6	Very high	97.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.1	-51.1	168.5	-61.2	-121	0	0	0	111.2	F72 F99 I104 M109 C110 A111	F72-D107 HydrophobicContact CD2-CB 3.7Å; F72-D107 HydrophobicContact CE2-CB 3.83Å; F99-D107 WeakPolarHBondContact CA-OD1 3.29Å; F99-D107 WeakPolarHBondContact CB-OD1 3.22Å; F99-D107 HydrophobicContact CD1-CB 4.35Å; I104-D107 HydrophobicContact CB-CB 4.17Å; I104-D107 WeakPolarHBondContact O-CB 3.39Å; I104-D107 PolarHBondContact O-N 2.93Å; D107-M109 VanDerWaalsContact C-N 3.32Å; D107-M109 PolarHBondContact O-N 2.86Å; D107-C110 PolarHBondContact O-N 3.45Å; D107-A111 WeakPolarHBondContact O-CB 3.4Å; D107-A111 PolarHBondContact O-N 2.75Å
108	I	98.7	Very high	97.8	Very high	24 Å²	24	52.6 Å²	52.6	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-41.3	178.9	-70.7	163.8	0	0	0	110.7	L31 I34 F72 I104 C110 A111 K112	L31-I108 HydrophobicContact CD2-CD1 3.56Å; L31-I108 HydrophobicContact CD2-CG1 3.62Å; I34-I108 HydrophobicContact CD1-CG2 4.28Å; I34-I108 HydrophobicContact CG2-CG2 3.97Å; F72-I108 HydrophobicContact CE2-CG1 4.08Å; F72-I108 HydrophobicContact CZ-CG1 3.98Å; I104-I108 HydrophobicContact CD1-CD1 3.93Å; I104-I108 HydrophobicContact CD1-CG1 4.44Å; I104-I108 HydrophobicContact CG1-CD1 3.91Å; I104-I108 HydrophobicContact CG1-CG1 4.48Å; I104-I108 WeakPolarHBondContact O-CB 3.41Å; I104-I108 WeakPolarHBondContact O-CD1 3.07Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.35Å; I108-C110 VanDerWaalsContact C-N 3.34Å; I108-C110 PolarHBondContact O-N 3.41Å; I108-A111 PolarHBondContact O-N 3.22Å; I108-K112 HydrophobicContact CG2-CD 4.46Å; I108-K112 WeakPolarHBondContact O-CG 3.19Å; I108-K112 PolarHBondContact O-N 2.92Å
109	M	98.7	Very high	97.8	Very high	116 Å²	116	49.2 Å²	49.2	57%	0.571	26%	0.256	S	S	*	.	H	α-helix	trans	-62.1	-41.8	176.2	-77.5	-166.3	-95.4	0	0	111.9	T105 D106 D107 K113	T105-M109 HydrophobicContact CG2-CE 3.93Å; T105-M109 WeakPolarHBondContact O-CG 3.46Å; T105-M109 PolarHBondContact O-N 3.43Å; T105-M109 VanDerWaalsContact O-N 3.13Å; D106-M109 PolarHBondContact O-N 3.19Å; D107-M109 VanDerWaalsContact C-N 3.32Å; D107-M109 PolarHBondContact O-N 2.86Å; M109-K113 PolarHBondContact O-N 2.91Å
110	C	98.9	Very high	97.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-70.8	-42.1	176.8	-172.2	0	0	0	0	111.7	I74 C92 F99 D106 D107 I108 K112 K113 I114	I74-C110 HydrophobicContact CD1-CB 3.84Å; C92-C110 HydrophobicContact CB-CB 3.74Å; C92-C110 WeakPolarHBondContact CB-SG 3.29Å; C92-C110 WeakPolarHBondContact SG-CA 3.42Å; C92-C110 WeakPolarHBondContact SG-CB 3.42Å; C92-C110 CovalentContact SG-SG 2.02Å; C92-C110 PolarHBondContact SG-SG 3.36Å; F99-C110 HydrophobicContact CE1-CB 3.96Å; F99-C110 HydrophobicContact CZ-CB 3.76Å; D106-C110 PolarHBondContact O-N 3.39Å; D107-C110 PolarHBondContact O-N 3.45Å; I108-C110 VanDerWaalsContact C-N 3.34Å; I108-C110 PolarHBondContact O-N 3.41Å; C110-K112 VanDerWaalsContact C-N 3.29Å; C110-K112 PolarHBondContact O-N 3.19Å; C110-K113 WeakPolarHBondContact O-CB 3.37Å; C110-K113 PolarHBondContact O-N 2.69Å; C110-I114 WeakPolarHBondContact O-CG1 3.46Å; C110-I114 PolarHBondContact O-N 2.92Å
111	A	98.7	Very high	97.5	Very high	2 Å²	2	53.1 Å²	53.1	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-38.8	175.2	0	0	0	0	0	112.1	F72 D107 I108 I114 L115 W123	F72-A111 HydrophobicContact CD1-CB 3.58Å; F72-A111 HydrophobicContact CD2-CB 4.44Å; F72-A111 HydrophobicContact CE1-CB 3.74Å; F72-A111 HydrophobicContact CG-CB 3.96Å; F72-A111 HydrophobicContact CZ-CB 4.21Å; D107-A111 WeakPolarHBondContact O-CB 3.4Å; D107-A111 PolarHBondContact O-N 2.75Å; I108-A111 PolarHBondContact O-N 3.22Å; A111-I114 WeakPolarHBondContact O-CB 3.03Å; A111-I114 PolarHBondContact O-N 2.93Å; A111-L115 WeakPolarHBondContact O-CG 3.45Å; A111-L115 PolarHBondContact O-N 3.43Å; A111-W123 HydrophobicContact CB-CH2 4.21Å; A111-W123 HydrophobicContact CB-CZ2 4.22Å
112	K	98.7	Very high	97.7	Very high	63 Å²	63	53.2 Å²	53.2	27%	0.274	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-45.3	171.4	-81.4	175	149.5	167.7	0	112.7	I34 Y37 I108 C110 I114 L115 D116	I34-K112 HydrophobicContact CG2-CD 4.31Å; Y37-K112 HydrophobicContact CD1-CG 4.15Å; Y37-K112 HydrophobicContact CD2-CG 4.45Å; Y37-K112 HydrophobicContact CE1-CB 4.05Å; Y37-K112 HydrophobicContact CE1-CG 3.87Å; Y37-K112 HydrophobicContact CE2-CD 4.18Å; Y37-K112 HydrophobicContact CE2-CG 4.16Å; Y37-K112 HydrophobicContact CG-CG 4.44Å; I108-K112 HydrophobicContact CG2-CD 4.46Å; I108-K112 WeakPolarHBondContact O-CG 3.19Å; I108-K112 PolarHBondContact O-N 2.92Å; C110-K112 VanDerWaalsContact C-N 3.29Å; C110-K112 PolarHBondContact O-N 3.19Å; K112-I114 VanDerWaalsContact C-N 3.29Å; K112-I114 PolarHBondContact O-N 3.27Å; K112-L115 WeakPolarHBondContact O-CB 3.44Å; K112-L115 PolarHBondContact O-N 3.37Å; K112-D116 VanDerWaalsContact O-CG 3.23Å; K112-D116 PolarHBondContact O-N 3.44Å
113	K	98.6	Very high	97.9	Very high	83 Å²	83	49.5 Å²	49.5	36%	0.361	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-38.4	174.4	-68.5	178	175.6	179.8	0	111.8	I91 C92 M109 C110 D116 I117	I91-K113 PolarHBondContact O-NZ 2.48Å; C92-K113 PolarHBondContact O-NZ 3.13Å; M109-K113 PolarHBondContact O-N 2.91Å; C110-K113 WeakPolarHBondContact O-CB 3.37Å; C110-K113 PolarHBondContact O-N 2.69Å; K113-D116 PolarHBondContact O-N 3.03Å; K113-I117 WeakPolarHBondContact O-CB 3.06Å; K113-I117 VanDerWaalsContact O-CG1 3.26Å; K113-I117 WeakPolarHBondContact O-CG1 3.35Å; K113-I117 PolarHBondContact O-N 3.41Å; K113-I117 VanDerWaalsContact O-N 3.13Å
114	I	98.7	Very high	98	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-47.3	175.1	-63.6	173.2	0	0	0	110	I74 W79 C110 A111 K112 D116 I117 K118 G119 Y122 W123	I74-I114 HydrophobicContact CD1-CD1 4.31Å; I74-I114 HydrophobicContact CG1-CD1 3.96Å; I74-I114 HydrophobicContact CG2-CD1 4.13Å; W79-I114 HydrophobicContact CD2-CD1 4.02Å; W79-I114 HydrophobicContact CD2-CG1 3.62Å; W79-I114 HydrophobicContact CE3-CD1 4.49Å; W79-I114 HydrophobicContact CE3-CG1 3.7Å; W79-I114 HydrophobicContact CG-CD1 4.15Å; W79-I114 HydrophobicContact CG-CG1 4.27Å; W79-I114 HydrophobicContact CH2-CB 4.22Å; W79-I114 HydrophobicContact CH2-CG1 3.8Å; W79-I114 HydrophobicContact CH2-CG2 4.5Å; W79-I114 HydrophobicContact CZ2-CB 4.24Å; W79-I114 HydrophobicContact CZ2-CG1 3.71Å; W79-I114 HydrophobicContact CZ2-CG2 4.13Å; W79-I114 HydrophobicContact CZ3-CG1 3.78Å; C110-I114 WeakPolarHBondContact O-CG1 3.46Å; C110-I114 PolarHBondContact O-N 2.92Å; A111-I114 WeakPolarHBondContact O-CB 3.03Å; A111-I114 PolarHBondContact O-N 2.93Å; K112-I114 VanDerWaalsContact C-N 3.29Å; K112-I114 PolarHBondContact O-N 3.27Å; I114-D116 VanDerWaalsContact C-N 3.33Å; I114-D116 PolarHBondContact O-N 3.37Å; I114-I117 PolarHBondContact O-N 2.92Å; I114-K118 HydrophobicContact CG2-CB 4.36Å; I114-K118 WeakPolarHBondContact O-CA 3Å; I114-K118 WeakPolarHBondContact O-CB 3.48Å; I114-K118 PolarHBondContact O-N 2.85Å; I114-G119 PolarHBondContact O-N 3Å; I114-Y122 HydrophobicContact CD1-CE1 4.22Å; I114-Y122 HydrophobicContact CG2-CD1 3.64Å; I114-Y122 HydrophobicContact CG2-CD2 3.92Å; I114-Y122 HydrophobicContact CG2-CE1 4.3Å; I114-Y122 HydrophobicContact CG2-CG 3.43Å; I114-Y122 VanDerWaalsContact CG2-CG 3.43Å; I114-W123 HydrophobicContact CB-CH2 3.92Å; I114-W123 HydrophobicContact CD1-CZ2 4.38Å; I114-W123 HydrophobicContact CG2-CH2 3.66Å; I114-W123 HydrophobicContact CG2-CZ2 4.22Å; I114-W123 HydrophobicContact CG2-CZ3 3.93Å
115	L	98.2	Very high	98	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-42.8	176.6	-73.7	171.1	0	0	0	112.2	Y37 I40 A111 K112 I117 G119 I120 W123	Y37-L115 HydrophobicContact CD1-CB 4.2Å; Y37-L115 HydrophobicContact CD1-CD1 3.79Å; Y37-L115 HydrophobicContact CE1-CB 4.02Å; Y37-L115 HydrophobicContact CE1-CD1 4.33Å; I40-L115 HydrophobicContact CD1-CD1 4.37Å; I40-L115 HydrophobicContact CD1-CD2 3.36Å; I40-L115 HydrophobicContact CD1-CG 4.47Å; A111-L115 WeakPolarHBondContact O-CG 3.45Å; A111-L115 PolarHBondContact O-N 3.43Å; K112-L115 WeakPolarHBondContact O-CB 3.44Å; K112-L115 PolarHBondContact O-N 3.37Å; L115-I117 VanDerWaalsContact C-N 3.32Å; L115-I117 PolarHBondContact O-N 2.85Å; L115-G119 WeakPolarHBondContact O-CA 3.27Å; L115-G119 PolarHBondContact O-N 2.02Å; L115-I120 HydrophobicContact CD2-CB 4.24Å; L115-I120 HydrophobicContact CD2-CD1 4.15Å; L115-W123 HydrophobicContact CD2-CE3 4.43Å; L115-W123 HydrophobicContact CD2-CH2 4.29Å; L115-W123 HydrophobicContact CD2-CZ3 3.55Å; L115-W123 HydrophobicContact CG-CH2 4.07Å; L115-W123 HydrophobicContact CG-CZ3 3.83Å
116	D	98.3	Very high	98.1	Very high	106 Å²	106	49.7 Å²	49.7	57%	0.567	25%	0.253	S	S	*	.	H	α-helix	trans	-65.7	-34	178.9	-64.7	-21.2	0	0	0	112.9	Y37 K112 K113 I114	Y37-D116 VanDerWaalsContact CE1-OD1 3.29Å; Y37-D116 WeakPolarHBondContact CE1-OD1 3.44Å; Y37-D116 VanDerWaalsContact CZ-OD1 3.3Å; Y37-D116 PolarHBondContact OH-OD1 3.43Å; Y37-D116 PolarHBondContact OH-OD2 2.03Å; K112-D116 VanDerWaalsContact O-CG 3.23Å; K112-D116 PolarHBondContact O-N 3.44Å; K113-D116 PolarHBondContact O-N 3.03Å; I114-D116 VanDerWaalsContact C-N 3.33Å; I114-D116 PolarHBondContact O-N 3.37Å
117	I	98	Very high	98	Very high	95 Å²	95	55.5 Å²	55.5	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-96.2	-36.5	-172.6	-64.1	170.5	0	0	0	112.7	W79 I91 K113 I114 L115	W79-I117 HydrophobicContact CH2-CB 4.12Å; W79-I117 HydrophobicContact CH2-CD1 4.12Å; W79-I117 HydrophobicContact CH2-CG2 4.2Å; W79-I117 HydrophobicContact CZ3-CD1 3.92Å; I91-I117 HydrophobicContact CG2-CD1 4.09Å; K113-I117 WeakPolarHBondContact O-CB 3.06Å; K113-I117 VanDerWaalsContact O-CG1 3.26Å; K113-I117 WeakPolarHBondContact O-CG1 3.35Å; K113-I117 PolarHBondContact O-N 3.41Å; K113-I117 VanDerWaalsContact O-N 3.13Å; I114-I117 PolarHBondContact O-N 2.92Å; L115-I117 VanDerWaalsContact C-N 3.32Å; L115-I117 PolarHBondContact O-N 2.85Å
118	K	97.8	Very high	97.9	Very high	116 Å²	116	59 Å²	59	50%	0.504	31%	0.306	S	S	.	.	H	α-helix	trans	-118.3	-18.1	-172.6	-62.3	-58.3	-175.6	179.4	0	113.6	W79 I114 Y122	W79-K118 HydrophobicContact CH2-CG 4.11Å; W79-K118 HydrophobicContact CZ2-CG 3.8Å; I114-K118 HydrophobicContact CG2-CB 4.36Å; I114-K118 WeakPolarHBondContact O-CA 3Å; I114-K118 WeakPolarHBondContact O-CB 3.48Å; I114-K118 PolarHBondContact O-N 2.85Å; K118-Y122 HydrophobicContact CG-CD2 4.44Å
119	G	97.4	Very high	97.9	Very high	27 Å²	27	62.4 Å²	62.4	28%	0.278	32%	0.324	S	S	.	.			trans	69.5	-176.3	-169.5	0	0	0	0	0	112.6	I114 L115 D121 Y122	I114-G119 PolarHBondContact O-N 3Å; L115-G119 WeakPolarHBondContact O-CA 3.27Å; L115-G119 PolarHBondContact O-N 2.02Å; G119-D121 PolarHBondContact O-N 2.81Å; G119-Y122 PolarHBondContact O-N 3.14Å
120	I	97.1	Very high	97.9	Very high	22 Å²	22	56.9 Å²	56.9	11%	0.113	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-65.5	-20.8	-179.4	-165.9	58.5	0	0	0	113.3	I40 L45 T48 L115 Y122 W123 H126	I40-I120 HydrophobicContact CD1-CB 3.62Å; I40-I120 HydrophobicContact CD1-CD1 4.03Å; I40-I120 HydrophobicContact CD1-CG1 4.05Å; I40-I120 HydrophobicContact CD1-CG2 4.41Å; I40-I120 HydrophobicContact CG1-CB 3.89Å; I40-I120 HydrophobicContact CG1-CD1 4.41Å; I40-I120 HydrophobicContact CG1-CG1 4.11Å; I40-I120 HydrophobicContact CG1-CG2 4.27Å; I40-I120 HydrophobicContact CG2-CD1 4.3Å; I40-I120 HydrophobicContact CG2-CG1 4.41Å; L45-I120 HydrophobicContact CD1-CD1 4.49Å; T48-I120 HydrophobicContact CG2-CD1 4.44Å; L115-I120 HydrophobicContact CD2-CB 4.24Å; L115-I120 HydrophobicContact CD2-CD1 4.15Å; I120-Y122 PolarHBondContact O-N 3.2Å; I120-W123 HydrophobicContact CD1-CE3 3.82Å; I120-W123 HydrophobicContact CD1-CZ3 4.3Å; I120-W123 PolarHBondContact O-N 3.23Å; I120-H126 HydrophobicContact CD1-CB 4.33Å; I120-H126 HydrophobicContact CG1-CB 3.62Å; I120-H126 WeakPolarHBondContact CG2-ND1 3.29Å
121	D	94.2	Very high	97.7	Very high	99 Å²	99	60.5 Å²	60.5	53%	0.529	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62.5	-12.4	177.6	-77.7	-19	0	0	0	113.6	G119 W123	G119-D121 PolarHBondContact O-N 2.81Å; D121-W123 PolarHBondContact O-N 2.02Å
122	Y	98.2	Very high	97.6	Very high	54 Å²	54	66.2 Å²	66.2	21%	0.212	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-57.7	-37.4	167.7	-179.5	-93.5	0	0	0	111.5	Q73 S75 W79 I114 K118 G119 I120	Q73-Y122 PolarHBondContact O-OH 3.49Å; S75-Y122 PolarHBondContact N-OH 2.84Å; W79-Y122 HydrophobicContact CZ2-CE2 4.49Å; W79-Y122 AromaticContact NE1-CE2 3.3Å; W79-Y122 VanDerWaalsContact NE1-CE2 3.3Å; W79-Y122 AromaticContact NE1-CZ 3.6Å; I114-Y122 HydrophobicContact CD1-CE1 4.22Å; I114-Y122 HydrophobicContact CG2-CD1 3.64Å; I114-Y122 HydrophobicContact CG2-CD2 3.92Å; I114-Y122 HydrophobicContact CG2-CE1 4.3Å; I114-Y122 HydrophobicContact CG2-CG 3.43Å; I114-Y122 VanDerWaalsContact CG2-CG 3.43Å; K118-Y122 HydrophobicContact CG-CD2 4.44Å; G119-Y122 PolarHBondContact O-N 3.14Å; I120-Y122 PolarHBondContact O-N 3.2Å
123	W	98.4	Very high	97.5	Very high	7 Å²	7	70.2 Å²	70.2	3%	0.027	36%	0.362	C	S	.	.	S	Bend	trans	-94.9	97.9	175.8	-62	-82.6	0	0	0	110	T48 M49 F72 A111 I114 L115 I120 D121 A125 H126	T48-W123 HydrophobicContact CG2-CB 3.46Å; T48-W123 VanDerWaalsContact CG2-CB 3.46Å; T48-W123 HydrophobicContact CG2-CG 4.11Å; M49-W123 HydrophobicContact CE-CD2 4.12Å; M49-W123 HydrophobicContact CE-CG 3.92Å; F72-W123 HydrophobicContact CB-CZ2 4.32Å; F72-W123 HydrophobicContact CD1-CZ2 4.06Å; F72-W123 PolarHBondContact O-NE1 3.16Å; A111-W123 HydrophobicContact CB-CH2 4.21Å; A111-W123 HydrophobicContact CB-CZ2 4.22Å; I114-W123 HydrophobicContact CB-CH2 3.92Å; I114-W123 HydrophobicContact CD1-CZ2 4.38Å; I114-W123 HydrophobicContact CG2-CH2 3.66Å; I114-W123 HydrophobicContact CG2-CZ2 4.22Å; I114-W123 HydrophobicContact CG2-CZ3 3.93Å; L115-W123 HydrophobicContact CD2-CE3 4.43Å; L115-W123 HydrophobicContact CD2-CH2 4.29Å; L115-W123 HydrophobicContact CD2-CZ3 3.55Å; L115-W123 HydrophobicContact CG-CH2 4.07Å; L115-W123 HydrophobicContact CG-CZ3 3.83Å; I120-W123 HydrophobicContact CD1-CE3 3.82Å; I120-W123 HydrophobicContact CD1-CZ3 4.3Å; I120-W123 PolarHBondContact O-N 3.23Å; D121-W123 PolarHBondContact O-N 2.02Å; W123-A125 PolarHBondContact O-N 3.34Å; W123-H126 WeakPolarHBondContact O-CB 3.35Å; W123-H126 PolarHBondContact O-N 3.18Å
124	L	97.5	Very high	97.4	Very high	148 Å²	148	67.9 Å²	67.9	78%	0.775	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.9	-174.2	-60.3	179.9	0	0	0	114	H126	L124-H126 VanDerWaalsContact C-N 3.25Å; L124-H126 PolarHBondContact O-N 3.06Å
125	A	97.8	Very high	97.3	Very high	16 Å²	16	74.7 Å²	74.7	13%	0.132	39%	0.386	C	S	.	.	H	α-helix	trans	-60.1	-33.5	176.1	0	0	0	0	0	112.9	T48 H51 W123 A128 L129	T48-A125 HydrophobicContact CG2-CB 4.45Å; H51-A125 HydrophobicContact CB-CB 3.6Å; W123-A125 PolarHBondContact O-N 3.34Å; A125-A128 PolarHBondContact O-N 3.43Å; A125-L129 WeakPolarHBondContact O-CB 3.41Å; A125-L129 PolarHBondContact O-N 3.17Å
126	H	98.3	Very high	97.2	Very high	15 Å²	15	80.1 Å²	80.1	7%	0.069	41%	0.41	C	S	.	.	H	α-helix	trans	-57.7	-59.5	-173.7	172.8	-99.7	0	0	0	111.4	E44 T48 I120 W123 L124 A128 L129 C130	E44-H126 IonicContact OE2-CD2 3.94Å; E44-H126 IonicContact OE2-CE1 3Å; E44-H126 IonicContact OE2-NE2 2.85Å; E44-H126 PolarHBondContact OE2-NE2 3.13Å; T48-H126 HydrophobicContact CG2-CB 3.89Å; T48-H126 WeakPolarHBondContact OG1-CB 3.05Å; I120-H126 HydrophobicContact CD1-CB 4.33Å; I120-H126 HydrophobicContact CG1-CB 3.62Å; I120-H126 WeakPolarHBondContact CG2-ND1 3.29Å; W123-H126 WeakPolarHBondContact O-CB 3.35Å; W123-H126 PolarHBondContact O-N 3.18Å; L124-H126 VanDerWaalsContact C-N 3.25Å; L124-H126 PolarHBondContact O-N 3.06Å; H126-A128 PolarHBondContact O-N 3Å; H126-L129 PolarHBondContact O-N 3.46Å; H126-C130 CarbonylContact O-C 3.5Å; H126-C130 WeakPolarHBondContact O-CA 3.26Å; H126-C130 PolarHBondContact O-N 3.01Å
127	K	96.8	Very high	97.1	Very high	152 Å²	152	76 Å²	76	66%	0.661	39%	0.387	S	S	*	.	H	α-helix	trans	-61.4	-32.5	-178.2	-175.3	172.6	-177.1	172.4	0	113.2
128	A	97.3	Very high	97.1	Very high	75 Å²	75	75.7 Å²	75.7	62%	0.62	39%	0.386	S	S	*	.	H	α-helix	trans	-81.9	-34	-175.3	0	0	0	0	0	113.3	A125 H126	A125-A128 PolarHBondContact O-N 3.43Å; H126-A128 PolarHBondContact O-N 3Å
129	L	97.8	Very high	96.9	Very high	95 Å²	95	72 Å²	72	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-134	-16	-163.1	-59.9	171	0	0	0	114.5	H51 A125 H126	H51-L129 HydrophobicContact CB-CD1 4.06Å; A125-L129 WeakPolarHBondContact O-CB 3.41Å; A125-L129 PolarHBondContact O-N 3.17Å; H126-L129 PolarHBondContact O-N 3.46Å
130	C	98.3	Very high	96.2	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	40%	0.398	C	S	.	.	S	Bend	trans	-129.6	23.8	-162.1	-56.5	0	0	0	0	114.7	E44 C47 T48 H126	E44-C130 WeakPolarHBondContact CG-O 3.5Å; C47-C130 HydrophobicContact CB-CB 3.48Å; C47-C130 VanDerWaalsContact CB-CB 3.48Å; C47-C130 WeakPolarHBondContact CB-SG 3.26Å; C47-C130 PolarHBondContact O-SG 3.15Å; C47-C130 WeakPolarHBondContact SG-CA 3.27Å; C47-C130 WeakPolarHBondContact SG-CB 3.35Å; C47-C130 CovalentContact SG-SG 2.03Å; C47-C130 PolarHBondContact SG-SG 3.15Å; T48-C130 PolarHBondContact N-SG 3.25Å; H126-C130 CarbonylContact O-C 3.5Å; H126-C130 WeakPolarHBondContact O-CA 3.26Å; H126-C130 PolarHBondContact O-N 3.01Å
131	T	96.7	Very high	94.7	Very high	78 Å²	78	85.9 Å²	85.9	48%	0.479	43%	0.429	S	S	.	.	S	Bend	trans	-97.8	-16.5	176.5	53.5	0	0	0	0	113.4
132	E	96	Very high	92.8	Very high	123 Å²	123	92.7 Å²	92.7	58%	0.575	46%	0.464	S	S	*	.	S	Bend	trans	-145.9	170.9	-178	61.3	169.1	-139.3	0	0	111.9	L134	E132-L134 PolarHBondContact O-N 3.36Å
133	K	95.4	Very high	92.5	Very high	146 Å²	146	94.6 Å²	94.6	64%	0.635	48%	0.476	S	S	*	.			trans	54	51.1	177.6	-59.5	174	-173.2	159.4	0	113	E135	K133-E135 VanDerWaalsContact C-N 3.34Å; K133-E135 VanDerWaalsContact CA-OE2 3.29Å; K133-E135 WeakPolarHBondContact CA-OE2 3.44Å; K133-E135 PolarHBondContact O-N 3.07Å
134	L	97.1	Very high	92.2	Very high	35 Å²	35	99.2 Å²	99.2	18%	0.183	50%	0.5	C	S	.	.			trans	-87.4	0.3	-169.2	-60.2	173.9	0	0	0	114.5	P43 E44 E132 Q136 W137	P43-L134 HydrophobicContact CB-CB 4.06Å; P43-L134 HydrophobicContact CB-CD1 4.42Å; E44-L134 HydrophobicContact CG-CD1 3.42Å; E44-L134 VanDerWaalsContact CG-CD1 3.42Å; E44-L134 HydrophobicContact CG-CD2 4.29Å; E132-L134 PolarHBondContact O-N 3.36Å; L134-Q136 PolarHBondContact O-N 3.14Å; L134-W137 WeakPolarHBondContact O-CA 3.47Å; L134-W137 WeakPolarHBondContact O-CB 3.4Å; L134-W137 PolarHBondContact O-N 3.27Å
135	E	96.5	Very high	91.9	Very high	142 Å²	142	96.5 Å²	96.5	66%	0.664	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-58.7	-37.7	-173.7	-60.9	78.2	-170.3	0	0	111.4	K133 W137 L138	K133-E135 VanDerWaalsContact C-N 3.34Å; K133-E135 VanDerWaalsContact CA-OE2 3.29Å; K133-E135 WeakPolarHBondContact CA-OE2 3.44Å; K133-E135 PolarHBondContact O-N 3.07Å; E135-W137 PolarHBondContact O-N 3.18Å; E135-L138 PolarHBondContact O-N 2.87Å
136	Q	96	Very high	91.6	Very high	131 Å²	131	101.2 Å²	101.2	61%	0.612	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-68.2	-16.6	177.4	74.6	-179.2	-61.1	0	0	113.8	K24 L134	K24-Q136 WeakPolarHBondContact CD-O 3.49Å; K24-Q136 PolarHBondContact NZ-O 3.18Å; L134-Q136 PolarHBondContact O-N 3.14Å
137	W	97.4	Very high	91.1	Very high	20 Å²	20	106.6 Å²	106.6	8%	0.076	53%	0.533	C	S	.	.	G	3₁₀ helix	trans	-95.5	-4.9	-178	-56.4	114.9	0	0	0	113.3	K24 P43 I46 C47 F50 H51 L134 E135	K24-W137 HydrophobicContact CD-CE3 4.26Å; P43-W137 HydrophobicContact CB-CB 4.05Å; P43-W137 WeakPolarHBondContact O-CB 3.43Å; I46-W137 HydrophobicContact CG2-CB 4.46Å; I46-W137 HydrophobicContact CG2-CE3 4.23Å; C47-W137 HydrophobicContact CB-CB 4.49Å; C47-W137 HydrophobicContact CB-CD2 3.6Å; C47-W137 VanDerWaalsContact CB-CE2 3.49Å; C47-W137 HydrophobicContact CB-CE3 4.28Å; C47-W137 HydrophobicContact CB-CG 3.65Å; C47-W137 HydrophobicContact CB-CZ2 4.11Å; C47-W137 PolarHBondContact SG-NE1 3.49Å; F50-W137 HydrophobicContact CB-CH2 3.74Å; F50-W137 HydrophobicContact CB-CZ3 3.6Å; F50-W137 AromaticContact CD1-CH2 3.38Å; F50-W137 HydrophobicContact CD1-CH2 3.38Å; F50-W137 HydrophobicContact CD1-CZ2 4.37Å; F50-W137 HydrophobicContact CD1-CZ3 4.02Å; F50-W137 HydrophobicContact CD2-CH2 4.38Å; F50-W137 HydrophobicContact CD2-CZ3 4.25Å; F50-W137 HydrophobicContact CE1-CH2 4.02Å; F50-W137 AromaticContact CG-CH2 3.57Å; F50-W137 HydrophobicContact CG-CH2 3.57Å; F50-W137 AromaticContact CG-CZ3 3.69Å; F50-W137 HydrophobicContact CG-CZ3 3.69Å; H51-W137 AromaticContact NE2-CZ2 3.89Å; L134-W137 WeakPolarHBondContact O-CA 3.47Å; L134-W137 WeakPolarHBondContact O-CB 3.4Å; L134-W137 PolarHBondContact O-N 3.27Å; E135-W137 PolarHBondContact O-N 3.18Å
138	L	96.7	Very high	90.8	Very high	88 Å²	88	103.6 Å²	103.6	46%	0.461	52%	0.524	S	S	.	.			trans	-69.3	143.8	171	-64.2	168.5	0	0	0	110.6	K24 P43 E135	K24-L138 WeakPolarHBondContact CE-O 3.29Å; K24-L138 PolarHBondContact NZ-O 3.08Å; P43-L138 HydrophobicContact CB-CD2 4.35Å; P43-L138 HydrophobicContact CG-CD2 3.54Å; P43-L138 HydrophobicContact CG-CG 4.45Å; E135-L138 PolarHBondContact O-N 2.87Å
139	C	93.4	Very high	90.3	Very high	40 Å²	40	105.6 Å²	105.6	27%	0.27	52%	0.517	S	S	.	.			trans	-106.6	104.4	167.9	-178.9	0	0	0	0	109.1	C25	C25-C139 WeakPolarHBondContact CA-SG 3.38Å; C25-C139 HydrophobicContact CB-CB 4.08Å; C25-C139 WeakPolarHBondContact CB-SG 3.16Å; C25-C139 WeakPolarHBondContact SG-CB 3.25Å; C25-C139 CovalentContact SG-SG 2.04Å; C25-C139 PolarHBondContact SG-SG 3.16Å
140	E	83.7	Confident	89.7	Confident	164 Å²	164	106.5 Å²	106.5	77%	0.766	52%	0.519	S	S	*	.			trans	-74.5	128.9	171.4	-65.4	179.1	-176.2	0	0	108.8	L142	E140-L142 PolarHBondContact O-N 3.49Å
141	K	65.1	Low	89	Confident	176 Å²	176	115.3 Å²	115.3	77%	0.765	56%	0.562	S	S	*	*			trans	-70.9	111.9	166.3	-72.4	-176.5	175.1	-171.4	0	107.2
142	L	54.1	Low	88.3	Confident	241 Å²	241	118.7 Å²	118.7	100%	1.262	57%	0.57	S	S	*	*			trans	-66.4	0	158.7	-73.3	169.3	0	0	0	109.9	E140	E140-L142 PolarHBondContact O-N 3.49Å

Retrieved 142 of 142 residues in 70.7 ms (Link to these results)

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