LALBA_RABIT Loading...

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 , UniProt , Accession P00716, Species RABIT (Oryctolagus cuniculus, Rabbit), Gene LALBA, Length 141 aa.

						>LALBA_RABIT|P00716|LALBA
MMPLVPLLLVSIVFPGIQATQLTRCELTEKLKELDGYRDISMSEWICTLFHTSGLDTKITVNNNGSTEYGIFQISDKLWCVSKQNPQSKNICDTPCENFLDDNLTDDVKCAMKILDKEGIDHWLAHKPLCSENLEQWVCKK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	53.9	Low	65.4	Low	239 Å²	239	149.4 Å²	149.4	100%	1.177	83%	0.83	S	S	*	*				0	118.2	0	-71.7	166.1	61.5	0	0	107.5
2	M	56	Low	65.9	Low	184 Å²	184	147.1 Å²	147.1	91%	0.906	81%	0.813	S	S	*	*			trans	-67.1	136.4	175.1	-84.3	169.3	132.5	0	0	110.3
3	P	62	Low	66.3	Low	116 Å²	116	145 Å²	145	75%	0.753	81%	0.807	S	S	*	*			trans	-87.9	119.2	159.5	30.8	-22.5	0	0	0	109	V5	P3-V5 PolarHBondContact O-N 3.32Å
4	L	65.9	Low	66.5	Low	170 Å²	170	146.4 Å²	146.4	89%	0.89	80%	0.8	S	S	*	*			trans	-79.1	101.6	173	-146.3	85.1	0	0	0	107.5
5	V	69.6	Low	66.2	Low	117 Å²	117	143.7 Å²	143.7	71%	0.709	79%	0.793	S	S	*	*			trans	-88.8	119.8	171	-178.5	0	0	0	0	107.7	P3 L7	P3-V5 PolarHBondContact O-N 3.32Å; V5-L7 PolarHBondContact O-N 3.18Å
6	P	60.4	Low	65.8	Low	110 Å²	110	139.3 Å²	139.3	71%	0.714	79%	0.79	S	S	*	*			trans	-72.6	117.7	-175.2	28.1	-32.2	0	0	0	110.4	L8	P6-L8 PolarHBondContact O-N 3.2Å
7	L	69.1	Low	65.5	Low	158 Å²	158	140.5 Å²	140.5	83%	0.827	79%	0.792	S	S	*	*			trans	-74.1	103.3	170.7	-117.1	85.6	0	0	0	108.7	V5 L9	V5-L7 PolarHBondContact O-N 3.18Å; L7-L9 PolarHBondContact O-N 3.29Å
8	L	65.6	Low	65.1	Low	161 Å²	161	142.1 Å²	142.1	84%	0.843	79%	0.792	S	S	*	*			trans	-66.1	108.8	165.9	-86.5	151.5	0	0	0	108.6	P6 V10	P6-L8 PolarHBondContact O-N 3.2Å; L8-V10 PolarHBondContact O-N 3.05Å
9	L	70.6	Confident	64.9	Low	161 Å²	161	138.5 Å²	138.5	84%	0.843	78%	0.783	S	S	*	*			trans	-69.4	97.2	172.3	-72.3	163.8	0	0	0	108.6	L7 S11	L7-L9 PolarHBondContact O-N 3.29Å; L9-S11 PolarHBondContact O-N 3.1Å; L9-S11 VanDerWaalsContact O-N 3.09Å
10	V	74	Confident	64.9	Low	126 Å²	126	133 Å²	133	76%	0.764	75%	0.752	S	S	*	*			trans	-72.1	101.1	169.3	179.1	0	0	0	0	107.4	L8 I12	L8-V10 PolarHBondContact O-N 3.05Å; V10-I12 PolarHBondContact O-N 3.09Å; V10-I12 VanDerWaalsContact O-N 3.1Å
11	S	72.2	Confident	65.7	Low	101 Å²	101	130.7 Å²	130.7	71%	0.706	74%	0.735	S	S	*	*			trans	-70.2	100.3	171.8	50.9	0	0	0	0	109.1	L9 V13	L9-S11 PolarHBondContact O-N 3.1Å; L9-S11 VanDerWaalsContact O-N 3.09Å; S11-V13 PolarHBondContact O-N 3.03Å
12	I	72.2	Confident	67.3	Low	122 Å²	122	120.4 Å²	120.4	63%	0.626	69%	0.685	S	S	*	*			trans	-70.6	99.1	170.6	-57.1	172.6	0	0	0	106.8	V10 F14	V10-I12 PolarHBondContact O-N 3.09Å; V10-I12 VanDerWaalsContact O-N 3.1Å; I12-F14 HydrophobicContact CB-CD2 4.43Å; I12-F14 HydrophobicContact CB-CE2 4.13Å; I12-F14 HydrophobicContact CG2-CD2 3.78Å; I12-F14 HydrophobicContact CG2-CE1 4.38Å; I12-F14 HydrophobicContact CG2-CE2 3.56Å; I12-F14 HydrophobicContact CG2-CG 4.29Å; I12-F14 HydrophobicContact CG2-CZ 3.89Å; I12-F14 PolarHBondContact O-N 2.94Å; I12-F14 VanDerWaalsContact O-N 3.1Å
13	V	71.3	Confident	68.9	Low	120 Å²	120	115.2 Å²	115.2	73%	0.727	66%	0.663	S	S	*	*			trans	-72.7	99.6	165.8	-177.3	0	0	0	0	105.7	S11 P15	S11-V13 PolarHBondContact O-N 3.03Å; V13-P15 WeakPolarHBondContact O-CD 3.08Å
14	F	68.9	Low	70.3	Confident	164 Å²	164	114.8 Å²	114.8	72%	0.719	65%	0.647	S	S	*	*			trans	-69.8	109.4	162.8	-73.1	-88.4	0	0	0	106.1	I12 G16	I12-F14 HydrophobicContact CB-CD2 4.43Å; I12-F14 HydrophobicContact CB-CE2 4.13Å; I12-F14 HydrophobicContact CG2-CD2 3.78Å; I12-F14 HydrophobicContact CG2-CE1 4.38Å; I12-F14 HydrophobicContact CG2-CE2 3.56Å; I12-F14 HydrophobicContact CG2-CG 4.29Å; I12-F14 HydrophobicContact CG2-CZ 3.89Å; I12-F14 PolarHBondContact O-N 2.94Å; I12-F14 VanDerWaalsContact O-N 3.1Å; F14-G16 PolarHBondContact O-N 2.04Å
15	P	61.7	Low	71.5	Confident	107 Å²	107	109.6 Å²	109.6	70%	0.695	62%	0.624	S	S	*	*			trans	-59.5	111.8	162.9	25.6	-30.1	0	0	0	105.2	V13 I17	V13-P15 WeakPolarHBondContact O-CD 3.08Å; P15-I17 PolarHBondContact O-N 3.21Å
16	G	59.2	Low	72.6	Confident	72 Å²	72	108.7 Å²	108.7	74%	0.742	61%	0.612	S	S	*	*			trans	-54.8	109.6	177.9	0	0	0	0	0	107.6	F14 Q18	F14-G16 PolarHBondContact O-N 2.04Å; G16-Q18 PolarHBondContact O-N 3.1Å
17	I	61.2	Low	74.2	Confident	161 Å²	161	103.4 Å²	103.4	83%	0.826	58%	0.578	S	S	*	*			trans	-68.5	96.5	170.1	-60.2	172.9	0	0	0	104.1	P15 A19	P15-I17 PolarHBondContact O-N 3.21Å; I17-A19 PolarHBondContact O-N 3.39Å
18	Q	58	Low	75.4	Confident	169 Å²	169	97.9 Å²	97.9	79%	0.79	55%	0.55	S	S	*	*			trans	-70.9	90.6	172.9	-171.8	174.2	-20.5	0	0	106.4	G16 T20	G16-Q18 PolarHBondContact O-N 3.1Å; Q18-T20 PolarHBondContact O-N 3.48Å
19	A	61.4	Low	76.7	Confident	74 Å²	74	98 Å²	98	61%	0.612	55%	0.547	S	S	*	.			trans	-62.6	114.1	166.1	0	0	0	0	0	107	I17 Q21	I17-A19 PolarHBondContact O-N 3.39Å; A19-Q21 PolarHBondContact O-N 2.65Å
20	T	65.5	Low	77.8	Confident	27 Å²	27	94.7 Å²	94.7	17%	0.166	53%	0.526	C	S	.	.			trans	-80.5	62.1	-177.3	46	0	0	0	0	110.6	Q18 L22 K58	Q18-T20 PolarHBondContact O-N 3.48Å; T20-L22 PolarHBondContact O-N 3.31Å; T20-K58 WeakPolarHBondContact OG1-CD 2.98Å; T20-K58 WeakPolarHBondContact OG1-CE 3.2Å; T20-K58 PolarHBondContact OG1-NZ 3.22Å
21	Q	81.3	Confident	78.9	Confident	85 Å²	85	88.7 Å²	88.7	40%	0.397	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-79	117	164.4	-60.1	-51.2	92	0	0	107.9	A19 G54 D56	A19-Q21 PolarHBondContact O-N 2.65Å; Q21-G54 PolarHBondContact NE2-O 3.31Å; Q21-D56 VanDerWaalsContact OE1-CA 3.25Å; Q21-D56 PolarHBondContact OE1-OD2 3.34Å
22	L	87.1	Confident	80	Confident	24 Å²	24	91.7 Å²	91.7	13%	0.126	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-68	138.6	171.5	-70.2	174.6	0	0	0	109.4	T20 E26 L27 K30 L55 T57 I71 L104	T20-L22 PolarHBondContact O-N 3.31Å; L22-E26 HydrophobicContact CD2-CB 4.43Å; L22-L27 HydrophobicContact CD1-CD1 3.88Å; L22-K30 HydrophobicContact CD1-CD 3.78Å; L22-K30 HydrophobicContact CD2-CD 4.33Å; L22-L55 PolarHBondContact N-O 3.44Å; L22-L55 VanDerWaalsContact N-O 3.1Å; L22-L55 WeakPolarHBondContact O-CB 3.49Å; L22-L55 WeakPolarHBondContact O-CD1 3.05Å; L22-T57 HydrophobicContact CD1-CG2 3.52Å; L22-T57 HydrophobicContact CG-CG2 3.97Å; L22-I71 HydrophobicContact CD1-CD1 4.45Å; L22-L104 HydrophobicContact CD1-CD1 3.97Å
23	T	90.4	Very high	81.1	Confident	74 Å²	74	91.7 Å²	91.7	45%	0.454	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-72.5	156.1	167.6	67.6	0	0	0	0	110.1	C25 E26 L27	T23-C25 PolarHBondContact O-N 2.93Å; T23-E26 VanDerWaalsContact CB-OE2 3.3Å; T23-E26 WeakPolarHBondContact CB-OE2 3.49Å; T23-E26 VanDerWaalsContact CG2-OE2 3.31Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.46Å; T23-E26 PolarHBondContact N-OE2 2.89Å; T23-E26 PolarHBondContact O-N 3.18Å; T23-E26 WeakPolarHBondContact OG1-CB 3.36Å; T23-E26 WeakPolarHBondContact OG1-CG 3.46Å; T23-E26 PolarHBondContact OG1-N 2.92Å; T23-E26 PolarHBondContact OG1-OE2 3.45Å; T23-L27 WeakPolarHBondContact O-CB 3.31Å; T23-L27 PolarHBondContact O-N 3.1Å
24	R	90.5	Very high	82.4	Confident	107 Å²	107	86 Å²	86	40%	0.404	45%	0.452	S	S	.	.	H	α-helix	trans	-51.6	-40.8	176.9	-63.7	-179	-63.5	175.8	10.2	112.9	T28 I46 L55 Q136	R24-T28 PolarHBondContact O-N 3.3Å; R24-T28 PolarHBondContact O-OG1 2.89Å; R24-I46 HydrophobicContact CB-CG2 3.81Å; R24-I46 HydrophobicContact CG-CG2 3.71Å; R24-L55 HydrophobicContact CG-CD1 4.07Å; R24-Q136 PolarHBondContact NH1-O 2.89Å
25	C	92.5	Very high	83.7	Confident	61 Å²	61	82.6 Å²	82.6	41%	0.412	44%	0.442	S	S	.	.	H	α-helix	trans	-75.7	-39.1	-178.4	-76.1	0	0	0	0	113.3	T23 L27 T28 C139	T23-C25 PolarHBondContact O-N 2.93Å; C25-L27 PolarHBondContact O-N 2.69Å; C25-T28 PolarHBondContact O-N 2.84Å; C25-C139 VanDerWaalsContact CA-SG 3.54Å; C25-C139 HydrophobicContact CB-CB 4.08Å; C25-C139 WeakPolarHBondContact CB-SG 3.3Å; C25-C139 WeakPolarHBondContact SG-CB 3.42Å; C25-C139 CovalentContact SG-SG 2.04Å; C25-C139 PolarHBondContact SG-SG 3.18Å
26	E	92.2	Very high	85.4	Confident	98 Å²	98	79.6 Å²	79.6	46%	0.458	43%	0.43	S	S	.	.	H	α-helix	trans	-62.5	-37.4	173.2	-71.5	163.1	145.4	0	0	111	L22 T23 E29 K30	L22-E26 HydrophobicContact CD2-CB 4.43Å; T23-E26 VanDerWaalsContact CB-OE2 3.3Å; T23-E26 WeakPolarHBondContact CB-OE2 3.49Å; T23-E26 VanDerWaalsContact CG2-OE2 3.31Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.46Å; T23-E26 PolarHBondContact N-OE2 2.89Å; T23-E26 PolarHBondContact O-N 3.18Å; T23-E26 WeakPolarHBondContact OG1-CB 3.36Å; T23-E26 WeakPolarHBondContact OG1-CG 3.46Å; T23-E26 PolarHBondContact OG1-N 2.92Å; T23-E26 PolarHBondContact OG1-OE2 3.45Å; E26-E29 PolarHBondContact O-N 3.38Å; E26-K30 PolarHBondContact O-N 2.7Å
27	L	93.4	Very high	87.3	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-68.1	-35.4	179.2	-173.1	61.1	0	0	0	112.4	L22 T23 C25 E29 K30 L31 I46 L49 L55 I71 L104	L22-L27 HydrophobicContact CD1-CD1 3.88Å; T23-L27 WeakPolarHBondContact O-CB 3.31Å; T23-L27 PolarHBondContact O-N 3.1Å; C25-L27 PolarHBondContact O-N 2.69Å; L27-E29 PolarHBondContact O-N 3.46Å; L27-K30 PolarHBondContact O-N 2.9Å; L27-K30 VanDerWaalsContact O-N 3.11Å; L27-L31 HydrophobicContact CD1-CD1 3.72Å; L27-L31 HydrophobicContact CD1-CD2 4Å; L27-L31 HydrophobicContact CD1-CG 3.59Å; L27-L31 HydrophobicContact CD2-CD1 3.98Å; L27-L31 HydrophobicContact CG-CD1 3.56Å; L27-L31 HydrophobicContact CG-CG 3.8Å; L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.45Å; L27-I46 HydrophobicContact CB-CD1 3.73Å; L27-I46 HydrophobicContact CD2-CD1 3.54Å; L27-I46 HydrophobicContact CG-CD1 3.55Å; L27-L49 HydrophobicContact CD2-CD1 4.14Å; L27-L55 HydrophobicContact CD2-CD1 4.23Å; L27-L55 HydrophobicContact CD2-CD2 3.56Å; L27-L55 HydrophobicContact CD2-CG 4.35Å; L27-I71 HydrophobicContact CD1-CD1 3.63Å; L27-I71 HydrophobicContact CD2-CD1 3.71Å; L27-I71 HydrophobicContact CG-CD1 4.36Å; L27-L104 HydrophobicContact CD1-CD1 3.55Å
28	T	94	Very high	89	Confident	41 Å²	41	78.2 Å²	78.2	25%	0.252	39%	0.393	S	S	.	.	H	α-helix	trans	-55.2	-39.1	175.5	-62.9	0	0	0	0	112.8	R24 C25 M42	R24-T28 PolarHBondContact O-N 3.3Å; R24-T28 PolarHBondContact O-OG1 2.89Å; C25-T28 PolarHBondContact O-N 2.84Å; T28-M42 HydrophobicContact CG2-CE 4.3Å; T28-M42 HydrophobicContact CG2-CG 3.82Å; T28-M42 HydrophobicContact CG2-SD 4.16Å
29	E	92.6	Very high	90.8	Very high	164 Å²	164	77.6 Å²	77.6	77%	0.766	40%	0.395	S	S	*	.	H	α-helix	trans	-69	-42.8	177.6	-174.9	173.5	-171.2	0	0	111.7	E26 L27 L31	E26-E29 PolarHBondContact O-N 3.38Å; L27-E29 PolarHBondContact O-N 3.46Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 2.9Å
30	K	95.2	Very high	92.5	Very high	91 Å²	91	74.9 Å²	74.9	40%	0.396	37%	0.37	S	S	.	.	H	α-helix	trans	-68.7	-29	179.5	-70.1	174.8	175	-81.3	0	113.3	L22 E26 L27 D102 L104	L22-K30 HydrophobicContact CD1-CD 3.78Å; L22-K30 HydrophobicContact CD2-CD 4.33Å; E26-K30 PolarHBondContact O-N 2.7Å; L27-K30 PolarHBondContact O-N 2.9Å; L27-K30 VanDerWaalsContact O-N 3.11Å; K30-D102 PolarHBondContact NZ-O 3.11Å; K30-L104 HydrophobicContact CB-CD1 4.05Å; K30-L104 HydrophobicContact CD-CD1 3.99Å; K30-L104 HydrophobicContact CD-CG 4.36Å
31	L	96.3	Very high	94	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	16.2	-177.3	-59.8	-170.5	0	0	0	114.1	L27 E29 E33 L34 M42 I46 L49 F72 L104 V108	L27-L31 HydrophobicContact CD1-CD1 3.72Å; L27-L31 HydrophobicContact CD1-CD2 4Å; L27-L31 HydrophobicContact CD1-CG 3.59Å; L27-L31 HydrophobicContact CD2-CD1 3.98Å; L27-L31 HydrophobicContact CG-CD1 3.56Å; L27-L31 HydrophobicContact CG-CG 3.8Å; L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.45Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 2.9Å; L31-E33 PolarHBondContact O-N 3.39Å; L31-L34 HydrophobicContact CB-CD1 4.5Å; L31-L34 HydrophobicContact CD2-CD1 4.19Å; L31-L34 WeakPolarHBondContact O-CB 3.27Å; L31-L34 PolarHBondContact O-N 3.22Å; L31-M42 HydrophobicContact CB-CE 3.9Å; L31-M42 HydrophobicContact CB-SD 4.04Å; L31-M42 VanDerWaalsContact O-CE 3.27Å; L31-M42 WeakPolarHBondContact O-CE 3.28Å; L31-I46 HydrophobicContact CD1-CD1 4.34Å; L31-L49 HydrophobicContact CD1-CD1 3.41Å; L31-L49 VanDerWaalsContact CD1-CD1 3.41Å; L31-F72 HydrophobicContact CD2-CE2 4.18Å; L31-F72 HydrophobicContact CD2-CZ 3.78Å; L31-L104 HydrophobicContact CD2-CD1 4.14Å; L31-V108 HydrophobicContact CD2-CG2 3.54Å
32	K	95	Very high	94.8	Very high	165 Å²	165	72.2 Å²	72.2	72%	0.717	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-54.4	-31.5	-173.5	-171.3	177.9	-179.6	-176.4	0	114.2	L34 D35	K32-L34 VanDerWaalsContact C-N 3.26Å; K32-L34 PolarHBondContact O-N 3Å; K32-D35 PolarHBondContact O-N 3.25Å
33	E	96.4	Very high	95.3	Very high	121 Å²	121	72.1 Å²	72.1	57%	0.565	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-69.7	-20.7	177.4	-64.9	-175.1	-164.9	0	0	113.6	L31 V108	L31-E33 PolarHBondContact O-N 3.39Å; E33-V108 HydrophobicContact CB-CG1 4.07Å
34	L	97.5	Very high	95.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-88.3	-16.4	177.6	-66	179.4	0	0	0	113.3	L31 K32 G36 Y37 W45 F72 V108 M112	L31-L34 HydrophobicContact CB-CD1 4.5Å; L31-L34 HydrophobicContact CD2-CD1 4.19Å; L31-L34 WeakPolarHBondContact O-CB 3.27Å; L31-L34 PolarHBondContact O-N 3.22Å; K32-L34 VanDerWaalsContact C-N 3.26Å; K32-L34 PolarHBondContact O-N 3Å; L34-G36 PolarHBondContact O-N 3.18Å; L34-G36 VanDerWaalsContact O-N 3.14Å; L34-Y37 HydrophobicContact CD2-CD1 4.49Å; L34-Y37 WeakPolarHBondContact O-CB 3.33Å; L34-Y37 PolarHBondContact O-N 3.17Å; L34-W45 HydrophobicContact CB-CD2 4.47Å; L34-W45 HydrophobicContact CB-CG 4.37Å; L34-W45 HydrophobicContact CD1-CD2 4.07Å; L34-W45 HydrophobicContact CD1-CE3 4.31Å; L34-W45 HydrophobicContact CD1-CH2 4.48Å; L34-W45 HydrophobicContact CD1-CZ2 4.27Å; L34-W45 HydrophobicContact CD2-CZ2 4.2Å; L34-W45 PolarHBondContact O-NE1 2.91Å; L34-F72 HydrophobicContact CD1-CE1 3.82Å; L34-F72 HydrophobicContact CD1-CZ 3.65Å; L34-V108 HydrophobicContact CD1-CG1 4.46Å; L34-V108 HydrophobicContact CD1-CG2 4.27Å; L34-V108 HydrophobicContact CD2-CG1 4.18Å; L34-V108 HydrophobicContact CG-CG1 3.97Å; L34-M112 HydrophobicContact CD2-CG 3.47Å; L34-M112 VanDerWaalsContact CD2-CG 3.47Å; L34-M112 HydrophobicContact CD2-SD 4.43Å
35	D	96.8	Very high	96	Very high	94 Å²	94	65 Å²	65	50%	0.503	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	114.3	-177.7	-165.3	16.2	0	0	0	111.2	K32 Y37 M42	K32-D35 PolarHBondContact O-N 3.25Å; D35-Y37 PolarHBondContact O-N 3.39Å; D35-M42 HydrophobicContact CB-CB 4.31Å; D35-M42 HydrophobicContact CB-CE 3.67Å; D35-M42 WeakPolarHBondContact OD1-CB 3.43Å; D35-M42 PolarHBondContact OD1-N 3.48Å
36	G	97.1	Very high	96.2	Very high	44 Å²	44	62.2 Å²	62.2	45%	0.454	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	1	-176.3	0	0	0	0	0	114.2	L34 R38 D39 I40	L34-G36 PolarHBondContact O-N 3.18Å; L34-G36 VanDerWaalsContact O-N 3.14Å; G36-R38 PolarHBondContact O-N 3.1Å; G36-D39 PolarHBondContact O-N 2.9Å; G36-I40 WeakPolarHBondContact CA-O 3.42Å; G36-I40 PolarHBondContact N-O 3.48Å
37	Y	98.1	Very high	96.5	Very high	59 Å²	59	57.5 Å²	57.5	23%	0.231	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-68.5	124.2	174.7	-173.7	-114.1	0	0	0	109.6	L34 D35 D39 I40 M112 L115 D116	L34-Y37 HydrophobicContact CD2-CD1 4.49Å; L34-Y37 WeakPolarHBondContact O-CB 3.33Å; L34-Y37 PolarHBondContact O-N 3.17Å; D35-Y37 PolarHBondContact O-N 3.39Å; Y37-D39 PolarHBondContact O-N 3.24Å; Y37-I40 PolarHBondContact O-N 3.1Å; Y37-M112 HydrophobicContact CD1-CB 4.45Å; Y37-M112 HydrophobicContact CD1-CE 3.98Å; Y37-M112 HydrophobicContact CD1-CG 3.98Å; Y37-M112 HydrophobicContact CD2-CE 3.8Å; Y37-M112 HydrophobicContact CE1-CB 3.79Å; Y37-M112 HydrophobicContact CE1-CE 3.74Å; Y37-M112 HydrophobicContact CE1-CG 3.79Å; Y37-M112 HydrophobicContact CE2-CE 3.54Å; Y37-M112 HydrophobicContact CG-CE 4.01Å; Y37-M112 VanDerWaalsContact CZ-CE 3.5Å; Y37-L115 HydrophobicContact CD1-CD2 3.43Å; Y37-L115 VanDerWaalsContact CD1-CD2 3.43Å; Y37-L115 HydrophobicContact CE1-CD2 3.79Å; Y37-D116 VanDerWaalsContact OH-CG 3.23Å; Y37-D116 PolarHBondContact OH-OD1 3.33Å; Y37-D116 PolarHBondContact OH-OD2 3.06Å; Y37-D116 VanDerWaalsContact OH-OD2 3.05Å
38	R	97.2	Very high	96.8	Very high	145 Å²	145	57.5 Å²	57.5	55%	0.547	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	55.1	36	-172.3	-57.2	-65.5	-172.4	176.4	-0.2	113.5	G36 I40 L115 D116	G36-R38 PolarHBondContact O-N 3.1Å; R38-I40 PolarHBondContact O-N 3.15Å; R38-L115 HydrophobicContact CB-CD2 3.72Å; R38-L115 HydrophobicContact CB-CG 4.22Å; R38-L115 HydrophobicContact CG-CD2 3.63Å; R38-L115 HydrophobicContact CG-CG 4.02Å; R38-D116 IonicContact CZ-OD1 3.13Å; R38-D116 IonicContact NE-OD1 2.75Å; R38-D116 PolarHBondContact NE-OD1 3.02Å; R38-D116 IonicContact NH2-OD1 2.69Å; R38-D116 PolarHBondContact NH2-OD1 2.61Å; R38-D116 IonicContact NH2-OD2 3.71Å
39	D	96.6	Very high	97	Very high	155 Å²	155	55.6 Å²	55.6	83%	0.829	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	62.2	19.7	178.7	-55.7	-52.2	0	0	0	114.5	G36 Y37	G36-D39 PolarHBondContact O-N 2.9Å; Y37-D39 PolarHBondContact O-N 3.24Å
40	I	97.9	Very high	97.2	Very high	17 Å²	17	52.1 Å²	52.1	9%	0.087	26%	0.257	C	S	.	.			trans	-95.4	121	174.5	-51.4	-55.1	0	0	0	109.2	G36 Y37 R38 E44 W45 L115 I120	G36-I40 WeakPolarHBondContact CA-O 3.42Å; G36-I40 PolarHBondContact N-O 3.48Å; Y37-I40 PolarHBondContact O-N 3.1Å; R38-I40 PolarHBondContact O-N 3.15Å; I40-E44 HydrophobicContact CG2-CB 3.65Å; I40-E44 HydrophobicContact CG2-CG 4.5Å; I40-W45 HydrophobicContact CG2-CD2 4.41Å; I40-W45 HydrophobicContact CG2-CG 4.24Å; I40-L115 HydrophobicContact CG1-CD1 4.48Å; I40-I120 HydrophobicContact CD1-CB 3.96Å; I40-I120 HydrophobicContact CD1-CG1 4.18Å; I40-I120 HydrophobicContact CD1-CG2 3.78Å; I40-I120 HydrophobicContact CG1-CB 4.2Å; I40-I120 HydrophobicContact CG1-CD1 4.37Å; I40-I120 HydrophobicContact CG1-CG1 4.28Å; I40-I120 HydrophobicContact CG2-CD1 4.04Å; I40-I120 HydrophobicContact CG2-CG1 4.27Å
41	S	97	Very high	97.3	Very high	40 Å²	40	51.9 Å²	51.9	28%	0.28	26%	0.257	S	S	.	.			trans	-73.9	156.9	-179.7	67.4	0	0	0	0	112.7	S43 E44 W45	S41-S43 PolarHBondContact O-N 3.3Å; S41-E44 VanDerWaalsContact CB-OE1 3.28Å; S41-E44 WeakPolarHBondContact CB-OE1 3.31Å; S41-E44 PolarHBondContact N-OE1 3.36Å; S41-E44 WeakPolarHBondContact O-CB 3.47Å; S41-E44 PolarHBondContact O-N 2.76Å; S41-E44 VanDerWaalsContact O-N 3.1Å; S41-E44 WeakPolarHBondContact OG-CG 3.32Å; S41-E44 PolarHBondContact OG-N 2.89Å; S41-E44 PolarHBondContact OG-OE1 3.4Å; S41-W45 PolarHBondContact O-N 3.25Å; S41-W45 VanDerWaalsContact O-N 3.15Å
42	M	97.3	Very high	97.4	Very high	16 Å²	16	53.7 Å²	53.7	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-52.2	-41.7	171.7	-178.7	60.1	59.6	0	0	112.7	T28 L31 D35 E44 W45 I46	T28-M42 HydrophobicContact CG2-CE 4.3Å; T28-M42 HydrophobicContact CG2-CG 3.82Å; T28-M42 HydrophobicContact CG2-SD 4.16Å; L31-M42 HydrophobicContact CB-CE 3.9Å; L31-M42 HydrophobicContact CB-SD 4.04Å; L31-M42 VanDerWaalsContact O-CE 3.27Å; L31-M42 WeakPolarHBondContact O-CE 3.28Å; D35-M42 HydrophobicContact CB-CB 4.31Å; D35-M42 HydrophobicContact CB-CE 3.67Å; D35-M42 WeakPolarHBondContact OD1-CB 3.43Å; D35-M42 PolarHBondContact OD1-N 3.48Å; M42-E44 VanDerWaalsContact C-N 3.31Å; M42-E44 PolarHBondContact O-N 3.3Å; M42-W45 WeakPolarHBondContact O-CB 3.4Å; M42-W45 PolarHBondContact O-N 2.99Å; M42-W45 VanDerWaalsContact O-N 3.17Å; M42-I46 HydrophobicContact CG-CG1 4.16Å; M42-I46 VanDerWaalsContact O-CG1 3.31Å; M42-I46 WeakPolarHBondContact O-CG1 3.05Å; M42-I46 PolarHBondContact O-N 3.42Å; M42-I46 HydrophobicContact SD-CD1 4.01Å; M42-I46 HydrophobicContact SD-CG1 4.03Å
43	S	97.2	Very high	97.5	Very high	22 Å²	22	46.2 Å²	46.2	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-36.3	179.7	-63.2	0	0	0	0	112.8	S41 C47 V138	S41-S43 PolarHBondContact O-N 3.3Å; S43-C47 WeakPolarHBondContact O-CB 3.25Å; S43-C47 PolarHBondContact O-N 3.32Å; S43-V138 WeakPolarHBondContact OG-CG2 3.28Å
44	E	97.8	Very high	97.5	Very high	33 Å²	33	41.9 Å²	41.9	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-45	173.1	-72	166.3	-97.7	0	0	110.8	I40 S41 M42 C47 T48 H126 L134	I40-E44 HydrophobicContact CG2-CB 3.65Å; I40-E44 HydrophobicContact CG2-CG 4.5Å; S41-E44 VanDerWaalsContact CB-OE1 3.28Å; S41-E44 WeakPolarHBondContact CB-OE1 3.31Å; S41-E44 PolarHBondContact N-OE1 3.36Å; S41-E44 WeakPolarHBondContact O-CB 3.47Å; S41-E44 PolarHBondContact O-N 2.76Å; S41-E44 VanDerWaalsContact O-N 3.1Å; S41-E44 WeakPolarHBondContact OG-CG 3.32Å; S41-E44 PolarHBondContact OG-N 2.89Å; S41-E44 PolarHBondContact OG-OE1 3.4Å; M42-E44 VanDerWaalsContact C-N 3.31Å; M42-E44 PolarHBondContact O-N 3.3Å; E44-C47 PolarHBondContact O-N 3.44Å; E44-T48 VanDerWaalsContact O-CB 3.28Å; E44-T48 WeakPolarHBondContact O-CB 3.34Å; E44-T48 PolarHBondContact O-N 3.42Å; E44-T48 PolarHBondContact O-OG1 3.24Å; E44-H126 IonicContact OE2-NE2 3.84Å; E44-L134 HydrophobicContact CB-CD1 4.27Å; E44-L134 HydrophobicContact CG-CD1 3.26Å
45	W	98.2	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-49	176.4	-82.5	113.4	0	0	0	112.7	L34 I40 S41 M42 C47 T48 L49 F72 L115 I120 W123	L34-W45 HydrophobicContact CB-CD2 4.47Å; L34-W45 HydrophobicContact CB-CG 4.37Å; L34-W45 HydrophobicContact CD1-CD2 4.07Å; L34-W45 HydrophobicContact CD1-CE3 4.31Å; L34-W45 HydrophobicContact CD1-CH2 4.48Å; L34-W45 HydrophobicContact CD1-CZ2 4.27Å; L34-W45 HydrophobicContact CD2-CZ2 4.2Å; L34-W45 PolarHBondContact O-NE1 2.91Å; I40-W45 HydrophobicContact CG2-CD2 4.41Å; I40-W45 HydrophobicContact CG2-CG 4.24Å; S41-W45 PolarHBondContact O-N 3.25Å; S41-W45 VanDerWaalsContact O-N 3.15Å; M42-W45 WeakPolarHBondContact O-CB 3.4Å; M42-W45 PolarHBondContact O-N 2.99Å; M42-W45 VanDerWaalsContact O-N 3.17Å; W45-C47 VanDerWaalsContact C-N 3.33Å; W45-C47 PolarHBondContact O-N 3.03Å; W45-T48 PolarHBondContact O-N 2.73Å; W45-L49 HydrophobicContact CE3-CG 4.45Å; W45-L49 WeakPolarHBondContact O-CB 3.48Å; W45-L49 VanDerWaalsContact O-CG 3.3Å; W45-L49 WeakPolarHBondContact O-CG 3.36Å; W45-L49 PolarHBondContact O-N 2.67Å; W45-F72 HydrophobicContact CE3-CE1 4.1Å; W45-F72 HydrophobicContact CZ3-CD1 4.22Å; W45-F72 AromaticContact CZ3-CE1 3.8Å; W45-F72 HydrophobicContact CZ3-CE1 3.8Å; W45-L115 HydrophobicContact CH2-CD1 4.49Å; W45-L115 HydrophobicContact CZ2-CD1 4.29Å; W45-L115 HydrophobicContact CZ2-CD2 3.9Å; W45-I120 HydrophobicContact CD2-CD1 4.31Å; W45-I120 HydrophobicContact CE3-CD1 4.15Å; W45-I120 HydrophobicContact CH2-CD1 3.53Å; W45-I120 HydrophobicContact CZ2-CD1 3.68Å; W45-I120 HydrophobicContact CZ3-CD1 3.77Å; W45-W123 HydrophobicContact CH2-CE3 4.05Å; W45-W123 AromaticContact CH2-CH2 3.56Å; W45-W123 HydrophobicContact CH2-CH2 3.56Å; W45-W123 HydrophobicContact CH2-CZ2 4.22Å; W45-W123 AromaticContact CH2-CZ3 3.47Å; W45-W123 HydrophobicContact CH2-CZ3 3.47Å; W45-W123 VanDerWaalsContact CH2-CZ3 3.47Å; W45-W123 HydrophobicContact CZ3-CD2 4.28Å; W45-W123 HydrophobicContact CZ3-CE3 4.05Å; W45-W123 AromaticContact CZ3-CH2 3.93Å; W45-W123 HydrophobicContact CZ3-CH2 3.93Å; W45-W123 HydrophobicContact CZ3-CZ2 4.15Å; W45-W123 AromaticContact CZ3-CZ3 3.88Å; W45-W123 HydrophobicContact CZ3-CZ3 3.88Å
46	I	97.5	Very high	97.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-43.2	179.5	-60.6	-59.1	0	0	0	110.8	R24 L27 L31 M42 F50 W137	R24-I46 HydrophobicContact CB-CG2 3.81Å; R24-I46 HydrophobicContact CG-CG2 3.71Å; L27-I46 HydrophobicContact CB-CD1 3.73Å; L27-I46 HydrophobicContact CD2-CD1 3.54Å; L27-I46 HydrophobicContact CG-CD1 3.55Å; L31-I46 HydrophobicContact CD1-CD1 4.34Å; M42-I46 HydrophobicContact CG-CG1 4.16Å; M42-I46 VanDerWaalsContact O-CG1 3.31Å; M42-I46 WeakPolarHBondContact O-CG1 3.05Å; M42-I46 PolarHBondContact O-N 3.42Å; M42-I46 HydrophobicContact SD-CD1 4.01Å; M42-I46 HydrophobicContact SD-CG1 4.03Å; I46-F50 VanDerWaalsContact O-CB 3.25Å; I46-F50 WeakPolarHBondContact O-CB 3.19Å; I46-F50 PolarHBondContact O-N 3.36Å; I46-W137 HydrophobicContact CG2-CE3 3.89Å
47	C	98.2	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-49.8	174.8	178.7	0	0	0	0	111.6	S43 E44 W45 L49 F50 H51 C130 L134 W137	S43-C47 WeakPolarHBondContact O-CB 3.25Å; S43-C47 PolarHBondContact O-N 3.32Å; E44-C47 PolarHBondContact O-N 3.44Å; W45-C47 VanDerWaalsContact C-N 3.33Å; W45-C47 PolarHBondContact O-N 3.03Å; C47-L49 PolarHBondContact O-N 2.92Å; C47-F50 PolarHBondContact O-N 3.36Å; C47-H51 PolarHBondContact O-CD2 3.04Å; C47-H51 PolarHBondContact O-N 2.7Å; C47-C130 HydrophobicContact CB-CB 3.6Å; C47-C130 WeakPolarHBondContact CB-SG 3.37Å; C47-C130 WeakPolarHBondContact SG-CA 2.99Å; C47-C130 WeakPolarHBondContact SG-CB 3.43Å; C47-C130 CovalentContact SG-SG 2.04Å; C47-C130 PolarHBondContact SG-SG 3.32Å; C47-L134 HydrophobicContact CB-CD2 4.03Å; C47-W137 HydrophobicContact CB-CD2 3.71Å; C47-W137 HydrophobicContact CB-CE3 4.41Å; C47-W137 HydrophobicContact CB-CG 3.76Å; C47-W137 HydrophobicContact CB-CZ2 4.18Å; C47-W137 VanDerWaalsContact SG-CE2 3.59Å; C47-W137 PolarHBondContact SG-NE1 3.43Å
48	T	98.5	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-50.8	-176	-60.6	0	0	0	0	110.1	E44 W45 F50 H51 T52 W123 H126 C130	E44-T48 VanDerWaalsContact O-CB 3.28Å; E44-T48 WeakPolarHBondContact O-CB 3.34Å; E44-T48 PolarHBondContact O-N 3.42Å; E44-T48 PolarHBondContact O-OG1 3.24Å; W45-T48 PolarHBondContact O-N 2.73Å; T48-F50 VanDerWaalsContact C-N 3.34Å; T48-F50 PolarHBondContact O-N 2.82Å; T48-H51 PolarHBondContact O-N 3.33Å; T48-T52 VanDerWaalsContact O-CB 3.31Å; T48-T52 WeakPolarHBondContact O-CB 3.27Å; T48-T52 PolarHBondContact O-N 3.46Å; T48-T52 PolarHBondContact O-OG1 2.76Å; T48-T52 VanDerWaalsContact O-OG1 3.05Å; T48-W123 HydrophobicContact CG2-CB 3.39Å; T48-W123 HydrophobicContact CG2-CG 3.96Å; T48-H126 HydrophobicContact CG2-CB 4.12Å; T48-C130 PolarHBondContact N-SG 3.37Å
49	L	98.3	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.6	-35	-179.7	-63.5	175.9	0	0	0	112.5	L27 L31 W45 C47 H51 T52 S53 L55 I71 F72	L27-L49 HydrophobicContact CD2-CD1 4.14Å; L31-L49 HydrophobicContact CD1-CD1 3.41Å; L31-L49 VanDerWaalsContact CD1-CD1 3.41Å; W45-L49 HydrophobicContact CE3-CG 4.45Å; W45-L49 WeakPolarHBondContact O-CB 3.48Å; W45-L49 VanDerWaalsContact O-CG 3.3Å; W45-L49 WeakPolarHBondContact O-CG 3.36Å; W45-L49 PolarHBondContact O-N 2.67Å; C47-L49 PolarHBondContact O-N 2.92Å; L49-H51 VanDerWaalsContact C-N 3.32Å; L49-H51 PolarHBondContact O-N 3.22Å; L49-T52 PolarHBondContact O-N 3.06Å; L49-S53 PolarHBondContact O-N 2.04Å; L49-S53 PolarHBondContact O-OG 2.86Å; L49-L55 VanDerWaalsContact C-CD2 3.49Å; L49-L55 HydrophobicContact CB-CD2 3.74Å; L49-I71 HydrophobicContact CB-CG1 4.32Å; L49-I71 HydrophobicContact CD1-CD1 4.43Å; L49-I71 HydrophobicContact CD1-CG1 4.46Å; L49-I71 WeakPolarHBondContact CD2-O 3.3Å; L49-F72 HydrophobicContact CD1-CD1 4.42Å; L49-F72 HydrophobicContact CD1-CE1 3.86Å; L49-F72 HydrophobicContact CD1-CZ 3.96Å; L49-F72 HydrophobicContact CD2-CB 4.49Å; L49-F72 HydrophobicContact CD2-CD1 3.44Å; L49-F72 VanDerWaalsContact CD2-CD1 3.44Å; L49-F72 HydrophobicContact CD2-CE1 3.7Å; L49-F72 HydrophobicContact CD2-CG 3.96Å; L49-F72 HydrophobicContact CD2-CZ 4.42Å; L49-F72 HydrophobicContact CG-CE1 4.33Å
50	F	97.4	Very high	97.5	Very high	91 Å²	91	29.7 Å²	29.7	40%	0.399	16%	0.162	S	C	.	.	H	α-helix	trans	-61.1	-44.9	175	176.9	-87.7	0	0	0	110.9	I46 C47 T48 G54 L55 W137	I46-F50 VanDerWaalsContact O-CB 3.25Å; I46-F50 WeakPolarHBondContact O-CB 3.19Å; I46-F50 PolarHBondContact O-N 3.36Å; C47-F50 PolarHBondContact O-N 3.36Å; T48-F50 VanDerWaalsContact C-N 3.34Å; T48-F50 PolarHBondContact O-N 2.82Å; F50-G54 WeakPolarHBondContact O-CA 3.34Å; F50-G54 PolarHBondContact O-N 3.43Å; F50-L55 VanDerWaalsContact CA-CD2 3.48Å; F50-L55 HydrophobicContact CB-CD2 3.94Å; F50-L55 HydrophobicContact CB-CG 4.17Å; F50-L55 HydrophobicContact CD2-CD1 4.32Å; F50-L55 HydrophobicContact CD2-CG 4.15Å; F50-L55 VanDerWaalsContact N-CD2 3.25Å; F50-W137 HydrophobicContact CB-CH2 3.75Å; F50-W137 HydrophobicContact CB-CZ3 3.63Å; F50-W137 AromaticContact CD1-CH2 3.36Å; F50-W137 HydrophobicContact CD1-CH2 3.36Å; F50-W137 HydrophobicContact CD1-CZ2 4.34Å; F50-W137 HydrophobicContact CD1-CZ3 4.01Å; F50-W137 HydrophobicContact CD2-CH2 4.25Å; F50-W137 HydrophobicContact CD2-CZ3 4.1Å; F50-W137 AromaticContact CE1-CH2 3.97Å; F50-W137 HydrophobicContact CE1-CH2 3.97Å; F50-W137 AromaticContact CG-CH2 3.51Å; F50-W137 HydrophobicContact CG-CH2 3.51Å; F50-W137 AromaticContact CG-CZ3 3.64Å; F50-W137 HydrophobicContact CG-CZ3 3.64Å
51	H	97.9	Very high	97.5	Very high	87 Å²	87	31.3 Å²	31.3	40%	0.403	17%	0.172	S	C	.	.	H	α-helix	trans	-77.4	-20.2	178.7	-76.2	-64	0	0	0	113.9	C47 T48 L49 A125 L129 W137	C47-H51 PolarHBondContact O-CD2 3.04Å; C47-H51 PolarHBondContact O-N 2.7Å; T48-H51 PolarHBondContact O-N 3.33Å; L49-H51 VanDerWaalsContact C-N 3.32Å; L49-H51 PolarHBondContact O-N 3.22Å; H51-A125 HydrophobicContact CB-CB 3.56Å; H51-L129 HydrophobicContact CB-CD1 3.97Å; H51-W137 AromaticContact NE2-CZ2 3.78Å
52	T	98.1	Very high	97.5	Very high	37 Å²	37	35.2 Å²	35.2	23%	0.227	19%	0.19	C	C	.	.	H	α-helix	trans	-82	-45	176.6	-72.2	0	0	0	0	112.9	T48 L49 Q73	T48-T52 VanDerWaalsContact O-CB 3.31Å; T48-T52 WeakPolarHBondContact O-CB 3.27Å; T48-T52 PolarHBondContact O-N 3.46Å; T48-T52 PolarHBondContact O-OG1 2.76Å; T48-T52 VanDerWaalsContact O-OG1 3.05Å; L49-T52 PolarHBondContact O-N 3.06Å; T52-Q73 HydrophobicContact CG2-CB 3.74Å; T52-Q73 HydrophobicContact CG2-CG 3.46Å; T52-Q73 VanDerWaalsContact CG2-CG 3.46Å
53	S	97.3	Very high	97.4	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-134.9	-1.7	-169.9	59.6	0	0	0	0	114.3	L49 L55 D56 I71	L49-S53 PolarHBondContact O-N 2.04Å; L49-S53 PolarHBondContact O-OG 2.86Å; S53-L55 PolarHBondContact O-N 3.42Å; S53-L55 PolarHBondContact OG-N 2.86Å; S53-D56 WeakPolarHBondContact O-CB 3.27Å; S53-D56 PolarHBondContact O-N 3.41Å; S53-I71 VanDerWaalsContact CB-O 3.26Å; S53-I71 WeakPolarHBondContact CB-O 3.45Å; S53-I71 WeakPolarHBondContact OG-CA 3.34Å; S53-I71 WeakPolarHBondContact OG-CG1 3.31Å; S53-I71 PolarHBondContact OG-O 3.02Å
54	G	96.5	Very high	97.2	Very high	30 Å²	30	45 Å²	45	31%	0.309	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	13.9	-171.1	0	0	0	0	0	113.8	Q21 F50 D56	Q21-G54 PolarHBondContact NE2-O 3.31Å; F50-G54 WeakPolarHBondContact O-CA 3.34Å; F50-G54 PolarHBondContact O-N 3.43Å; G54-D56 VanDerWaalsContact C-N 3.27Å
55	L	96.3	Very high	97.1	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	24.7	-170.9	-44	-175.7	0	0	0	114	L22 R24 L27 L49 F50 S53 I71	L22-L55 PolarHBondContact N-O 3.44Å; L22-L55 VanDerWaalsContact N-O 3.1Å; L22-L55 WeakPolarHBondContact O-CB 3.49Å; L22-L55 WeakPolarHBondContact O-CD1 3.05Å; R24-L55 HydrophobicContact CG-CD1 4.07Å; L27-L55 HydrophobicContact CD2-CD1 4.23Å; L27-L55 HydrophobicContact CD2-CD2 3.56Å; L27-L55 HydrophobicContact CD2-CG 4.35Å; L49-L55 VanDerWaalsContact C-CD2 3.49Å; L49-L55 HydrophobicContact CB-CD2 3.74Å; F50-L55 VanDerWaalsContact CA-CD2 3.48Å; F50-L55 HydrophobicContact CB-CD2 3.94Å; F50-L55 HydrophobicContact CB-CG 4.17Å; F50-L55 HydrophobicContact CD2-CD1 4.32Å; F50-L55 HydrophobicContact CD2-CG 4.15Å; F50-L55 VanDerWaalsContact N-CD2 3.25Å; S53-L55 PolarHBondContact O-N 3.42Å; S53-L55 PolarHBondContact OG-N 2.86Å; L55-I71 HydrophobicContact CB-CD1 4.35Å; L55-I71 HydrophobicContact CD2-CD1 4.34Å
56	D	96.5	Very high	97.1	Very high	37 Å²	37	46.1 Å²	46.1	20%	0.198	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-80.9	120.5	172	-166.6	-21.8	0	0	0	109.8	Q21 S53 G54 K58 I59 I71	Q21-D56 VanDerWaalsContact OE1-CA 3.25Å; Q21-D56 PolarHBondContact OE1-OD2 3.34Å; S53-D56 WeakPolarHBondContact O-CB 3.27Å; S53-D56 PolarHBondContact O-N 3.41Å; G54-D56 VanDerWaalsContact C-N 3.27Å; D56-K58 VanDerWaalsContact C-N 3.28Å; D56-K58 WeakPolarHBondContact OD1-CA 3.19Å; D56-K58 PolarHBondContact OD1-N 3.33Å; D56-I59 HydrophobicContact CB-CB 3.8Å; D56-I59 HydrophobicContact CB-CG2 3.77Å; D56-I59 WeakPolarHBondContact O-CG2 3.46Å; D56-I59 PolarHBondContact OD1-N 3.05Å; D56-I71 WeakPolarHBondContact O-CA 3.47Å; D56-I71 PolarHBondContact O-N 2.74Å
57	T	97.1	Very high	97.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-77.3	-13.6	176.7	54.6	0	0	0	0	113.1	L22 L100 D102 L104	L22-T57 HydrophobicContact CD1-CG2 3.52Å; L22-T57 HydrophobicContact CG-CG2 3.97Å; T57-L100 WeakPolarHBondContact O-CA 3.31Å; T57-D102 PolarHBondContact OG1-OD1 2.02Å; T57-L104 HydrophobicContact CG2-CD2 3.93Å
58	K	97.2	Very high	97.2	Very high	86 Å²	86	49.2 Å²	49.2	37%	0.374	28%	0.275	S	S	.	.	S	Bend	trans	-119.6	5.6	-169.8	-48.8	-168.2	175.2	157	0	113.1	T20 D56 L100 D102	T20-K58 WeakPolarHBondContact OG1-CD 2.98Å; T20-K58 WeakPolarHBondContact OG1-CE 3.2Å; T20-K58 PolarHBondContact OG1-NZ 3.22Å; D56-K58 VanDerWaalsContact C-N 3.28Å; D56-K58 WeakPolarHBondContact OD1-CA 3.19Å; D56-K58 PolarHBondContact OD1-N 3.33Å; K58-L100 WeakPolarHBondContact CG-O 3.44Å; K58-D102 VanDerWaalsContact CE-OD1 3.27Å; K58-D102 WeakPolarHBondContact CE-OD1 3.18Å; K58-D102 IonicContact NZ-OD1 2.83Å; K58-D102 PolarHBondContact NZ-OD1 3.34Å; K58-D102 IonicContact NZ-OD2 3.74Å; K58-D102 PolarHBondContact NZ-OD2 2.83Å
59	I	97	Very high	97.2	Very high	50 Å²	50	50.1 Å²	50.1	26%	0.256	28%	0.278	S	S	.	.			trans	-72	137.1	180	-171.7	167.5	0	0	0	111.6	D56 V61 G70	D56-I59 HydrophobicContact CB-CB 3.8Å; D56-I59 HydrophobicContact CB-CG2 3.77Å; D56-I59 WeakPolarHBondContact O-CG2 3.46Å; D56-I59 PolarHBondContact OD1-N 3.05Å; I59-V61 HydrophobicContact CD1-CG2 4.45Å; I59-V61 HydrophobicContact CG1-CG2 4.36Å; I59-G70 PolarHBondContact O-N 3.37Å
60	T	98.2	Very high	97.2	Very high	63 Å²	63	50.1 Å²	50.1	39%	0.387	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133	168.7	57.7	0	0	0	0	110	E68 Y69 L100	T60-E68 CarbonylContact C-O 3.54Å; T60-E68 VanDerWaalsContact CA-O 3.26Å; T60-E68 WeakPolarHBondContact CA-O 3.33Å; T60-Y69 HydrophobicContact CG2-CD1 3.92Å; T60-Y69 HydrophobicContact CG2-CE1 4.25Å; T60-L100 HydrophobicContact CG2-CD1 3.75Å; T60-L100 HydrophobicContact CG2-CD2 3.66Å; T60-L100 HydrophobicContact CG2-CG 4.36Å
61	V	98.1	Very high	97.2	Very high	51 Å²	51	45.8 Å²	45.8	31%	0.309	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.2	174.5	177.1	0	0	0	0	109.3	I59 T67 E68 Q73	I59-V61 HydrophobicContact CD1-CG2 4.45Å; I59-V61 HydrophobicContact CG1-CG2 4.36Å; V61-T67 WeakPolarHBondContact O-CA 3.43Å; V61-E68 HydrophobicContact CB-CB 4.48Å; V61-E68 PolarHBondContact N-O 2.86Å; V61-E68 PolarHBondContact O-N 2.79Å; V61-Q73 VanDerWaalsContact CB-OE1 3.31Å
62	N	97.8	Very high	97.3	Very high	122 Å²	122	41.7 Å²	41.7	65%	0.652	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	119.8	176.7	-65.7	-70.4	0	0	0	109.6	T67	N62-T67 PolarHBondContact OD1-OG1 3.14Å; N62-T67 VanDerWaalsContact OD1-OG1 3.12Å
63	N	94.9	Very high	97.3	Very high	67 Å²	67	40.7 Å²	40.7	36%	0.358	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	166.2	172.5	-67.3	-65.4	0	0	0	109.8	G65 S66 E68	N63-G65 PolarHBondContact O-N 2.9Å; N63-S66 CarbonylContact C-O 3.32Å; N63-S66 VanDerWaalsContact CA-O 3.3Å; N63-S66 WeakPolarHBondContact CA-O 3.49Å; N63-S66 WeakPolarHBondContact CB-O 3.4Å; N63-S66 PolarHBondContact N-O 3.22Å; N63-S66 PolarHBondContact O-N 3.39Å; N63-E68 PolarHBondContact ND2-OE2 3.22Å
64	N	93.1	Very high	97.4	Very high	176 Å²	176	40.3 Å²	40.3	94%	0.941	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	98.6	177.9	-175.4	33.2	0	0	0	111.1
65	G	95.6	Very high	97.5	Very high	46 Å²	46	39.5 Å²	39.5	47%	0.474	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	1.5	178.4	0	0	0	0	0	115.7	N63 N85	N63-G65 PolarHBondContact O-N 2.9Å; G65-N85 PolarHBondContact O-ND2 3.34Å; G65-N85 PolarHBondContact O-OD1 2.87Å
66	S	97.8	Very high	97.6	Very high	12 Å²	12	39.3 Å²	39.3	8%	0.084	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	162.4	175.5	59.5	0	0	0	0	111.7	N63 D76 N85	N63-S66 CarbonylContact C-O 3.32Å; N63-S66 VanDerWaalsContact CA-O 3.3Å; N63-S66 WeakPolarHBondContact CA-O 3.49Å; N63-S66 WeakPolarHBondContact CB-O 3.4Å; N63-S66 PolarHBondContact N-O 3.22Å; N63-S66 PolarHBondContact O-N 3.39Å; S66-D76 VanDerWaalsContact CA-OD1 3.24Å; S66-D76 WeakPolarHBondContact CA-OD1 3.45Å; S66-D76 VanDerWaalsContact CB-OD1 3.23Å; S66-D76 WeakPolarHBondContact CB-OD1 3.28Å; S66-N85 WeakPolarHBondContact CA-ND2 3.4Å
67	T	98.6	Very high	97.6	Very high	4 Å²	4	45 Å²	45	3%	0.025	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.1	176.2	-60.8	0	0	0	0	109.6	V61 N62 Y69 S75 D76 Q84	V61-T67 WeakPolarHBondContact O-CA 3.43Å; N62-T67 PolarHBondContact OD1-OG1 3.14Å; N62-T67 VanDerWaalsContact OD1-OG1 3.12Å; T67-Y69 VanDerWaalsContact C-CE2 3.48Å; T67-Y69 VanDerWaalsContact CB-CE2 3.47Å; T67-Y69 HydrophobicContact CG2-CD2 4.11Å; T67-Y69 HydrophobicContact CG2-CE1 4.1Å; T67-Y69 HydrophobicContact CG2-CE2 3.51Å; T67-Y69 WeakPolarHBondContact O-CD2 3.45Å; T67-Y69 WeakPolarHBondContact O-CE2 3.45Å; T67-S75 WeakPolarHBondContact O-CA 3.42Å; T67-D76 PolarHBondContact N-OD1 3.33Å; T67-D76 PolarHBondContact O-N 3.32Å; T67-Q84 PolarHBondContact OG1-OE1 3.24Å
68	E	98.6	Very high	97.6	Very high	62 Å²	62	47.2 Å²	47.2	29%	0.29	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.6	175.4	-72	171.8	172.4	0	0	109.5	T60 V61 N63 Q73 I74	T60-E68 CarbonylContact C-O 3.54Å; T60-E68 VanDerWaalsContact CA-O 3.26Å; T60-E68 WeakPolarHBondContact CA-O 3.33Å; V61-E68 HydrophobicContact CB-CB 4.48Å; V61-E68 PolarHBondContact N-O 2.86Å; V61-E68 PolarHBondContact O-N 2.79Å; N63-E68 PolarHBondContact ND2-OE2 3.22Å; E68-Q73 HydrophobicContact CB-CB 4.02Å; E68-I74 WeakPolarHBondContact CA-O 3.38Å
69	Y	98.7	Very high	97.7	Very high	19 Å²	19	43.3 Å²	43.3	8%	0.075	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.9	-166	-62.5	-105.9	0	0	0	111.5	T60 T67 Q73 I74 D76 S82 C96 L100	T60-Y69 HydrophobicContact CG2-CD1 3.92Å; T60-Y69 HydrophobicContact CG2-CE1 4.25Å; T67-Y69 VanDerWaalsContact C-CE2 3.48Å; T67-Y69 VanDerWaalsContact CB-CE2 3.47Å; T67-Y69 HydrophobicContact CG2-CD2 4.11Å; T67-Y69 HydrophobicContact CG2-CE1 4.1Å; T67-Y69 HydrophobicContact CG2-CE2 3.51Å; T67-Y69 WeakPolarHBondContact O-CD2 3.45Å; T67-Y69 WeakPolarHBondContact O-CE2 3.45Å; Y69-Q73 CarbonylContact O-C 3.6Å; Y69-Q73 WeakPolarHBondContact O-CA 3.35Å; Y69-Q73 PolarHBondContact O-N 2.9Å; Y69-I74 WeakPolarHBondContact CD2-O 3.26Å; Y69-I74 PolarHBondContact N-O 3.05Å; Y69-I74 PolarHBondContact O-N 3.3Å; Y69-D76 HydrophobicContact CE2-CB 3.78Å; Y69-D76 PolarHBondContact OH-OD2 2.83Å; Y69-S82 WeakPolarHBondContact OH-CB 3.3Å; Y69-C96 HydrophobicContact CD1-CB 3.79Å; Y69-C96 HydrophobicContact CD2-CB 3.6Å; Y69-C96 HydrophobicContact CE1-CB 3.79Å; Y69-C96 HydrophobicContact CE2-CB 3.61Å; Y69-C96 HydrophobicContact CG-CB 3.72Å; Y69-L100 HydrophobicContact CD1-CD1 3.94Å; Y69-L100 HydrophobicContact CD1-CD2 4.17Å; Y69-L100 HydrophobicContact CD1-CG 4.1Å; Y69-L100 HydrophobicContact CE1-CD1 4.48Å
70	G	98.3	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-169.4	166.3	0	0	0	0	0	114.7	I59 F72 Q73 F99	I59-G70 PolarHBondContact O-N 3.37Å; G70-F72 PolarHBondContact O-N 3.29Å; G70-Q73 PolarHBondContact O-N 3.5Å; G70-Q73 PolarHBondContact O-NE2 2.9Å; G70-F99 WeakPolarHBondContact CA-O 3.27Å
71	I	97.9	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.8	-172.9	-165.8	172.2	0	0	0	113	L22 L27 L49 S53 L55 D56 L104	L22-I71 HydrophobicContact CD1-CD1 4.45Å; L27-I71 HydrophobicContact CD1-CD1 3.63Å; L27-I71 HydrophobicContact CD2-CD1 3.71Å; L27-I71 HydrophobicContact CG-CD1 4.36Å; L49-I71 HydrophobicContact CB-CG1 4.32Å; L49-I71 HydrophobicContact CD1-CD1 4.43Å; L49-I71 HydrophobicContact CD1-CG1 4.46Å; L49-I71 WeakPolarHBondContact CD2-O 3.3Å; S53-I71 VanDerWaalsContact CB-O 3.26Å; S53-I71 WeakPolarHBondContact CB-O 3.45Å; S53-I71 WeakPolarHBondContact OG-CA 3.34Å; S53-I71 WeakPolarHBondContact OG-CG1 3.31Å; S53-I71 PolarHBondContact OG-O 3.02Å; L55-I71 HydrophobicContact CB-CD1 4.35Å; L55-I71 HydrophobicContact CD2-CD1 4.34Å; D56-I71 WeakPolarHBondContact O-CA 3.47Å; D56-I71 PolarHBondContact O-N 2.74Å; I71-L104 HydrophobicContact CD1-CD1 4.45Å; I71-L104 HydrophobicContact CG2-CD1 4.27Å; I71-L104 HydrophobicContact CG2-CD2 3.82Å
72	F	98.7	Very high	97.8	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.7	177.4	-70	-86.2	0	0	0	113.8	L31 L34 W45 L49 G70 I74 D107 V108 A111 W123	L31-F72 HydrophobicContact CD2-CE2 4.18Å; L31-F72 HydrophobicContact CD2-CZ 3.78Å; L34-F72 HydrophobicContact CD1-CE1 3.82Å; L34-F72 HydrophobicContact CD1-CZ 3.65Å; W45-F72 HydrophobicContact CE3-CE1 4.1Å; W45-F72 HydrophobicContact CZ3-CD1 4.22Å; W45-F72 AromaticContact CZ3-CE1 3.8Å; W45-F72 HydrophobicContact CZ3-CE1 3.8Å; L49-F72 HydrophobicContact CD1-CD1 4.42Å; L49-F72 HydrophobicContact CD1-CE1 3.86Å; L49-F72 HydrophobicContact CD1-CZ 3.96Å; L49-F72 HydrophobicContact CD2-CB 4.49Å; L49-F72 HydrophobicContact CD2-CD1 3.44Å; L49-F72 VanDerWaalsContact CD2-CD1 3.44Å; L49-F72 HydrophobicContact CD2-CE1 3.7Å; L49-F72 HydrophobicContact CD2-CG 3.96Å; L49-F72 HydrophobicContact CD2-CZ 4.42Å; L49-F72 HydrophobicContact CG-CE1 4.33Å; G70-F72 PolarHBondContact O-N 3.29Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 HydrophobicContact CB-CD1 3.97Å; F72-I74 HydrophobicContact CB-CG1 3.74Å; F72-I74 PolarHBondContact O-N 3.46Å; F72-D107 HydrophobicContact CD2-CB 3.74Å; F72-D107 HydrophobicContact CE2-CB 3.83Å; F72-V108 HydrophobicContact CE2-CG2 4.35Å; F72-V108 HydrophobicContact CZ-CG2 4.29Å; F72-A111 HydrophobicContact CD1-CB 3.52Å; F72-A111 HydrophobicContact CD2-CB 4.45Å; F72-A111 HydrophobicContact CE1-CB 3.48Å; F72-A111 VanDerWaalsContact CE1-CB 3.48Å; F72-A111 HydrophobicContact CE2-CB 4.41Å; F72-A111 HydrophobicContact CG-CB 4.03Å; F72-A111 HydrophobicContact CZ-CB 3.96Å; F72-W123 AromaticContact CD1-CZ2 3.91Å; F72-W123 HydrophobicContact CD1-CZ2 3.91Å; F72-W123 PolarHBondContact O-NE1 3.21Å
73	Q	98.7	Very high	97.8	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.075	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	49.1	-175.9	-68.3	-66.4	-84.7	0	0	112.6	T52 V61 E68 Y69 G70 S75	T52-Q73 HydrophobicContact CG2-CB 3.74Å; T52-Q73 HydrophobicContact CG2-CG 3.46Å; T52-Q73 VanDerWaalsContact CG2-CG 3.46Å; V61-Q73 VanDerWaalsContact CB-OE1 3.31Å; E68-Q73 HydrophobicContact CB-CB 4.02Å; Y69-Q73 CarbonylContact O-C 3.6Å; Y69-Q73 WeakPolarHBondContact O-CA 3.35Å; Y69-Q73 PolarHBondContact O-N 2.9Å; G70-Q73 PolarHBondContact O-N 3.5Å; G70-Q73 PolarHBondContact O-NE2 2.9Å; Q73-S75 PolarHBondContact O-N 2.86Å
74	I	98.8	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	122.9	-176.5	-62.9	162.3	0	0	0	109.3	E68 Y69 F72 W79 F99 C110 I114	E68-I74 WeakPolarHBondContact CA-O 3.38Å; Y69-I74 WeakPolarHBondContact CD2-O 3.26Å; Y69-I74 PolarHBondContact N-O 3.05Å; Y69-I74 PolarHBondContact O-N 3.3Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 HydrophobicContact CB-CD1 3.97Å; F72-I74 HydrophobicContact CB-CG1 3.74Å; F72-I74 PolarHBondContact O-N 3.46Å; I74-W79 HydrophobicContact CG2-CB 3.42Å; I74-W79 VanDerWaalsContact CG2-CB 3.42Å; I74-W79 HydrophobicContact CG2-CG 4.18Å; I74-F99 HydrophobicContact CB-CD2 3.89Å; I74-F99 HydrophobicContact CB-CE2 3.81Å; I74-F99 HydrophobicContact CD1-CD1 4.01Å; I74-F99 HydrophobicContact CD1-CD2 3.83Å; I74-F99 HydrophobicContact CD1-CE1 3.89Å; I74-F99 HydrophobicContact CD1-CE2 3.69Å; I74-F99 HydrophobicContact CD1-CG 3.97Å; I74-F99 HydrophobicContact CD1-CZ 3.7Å; I74-F99 HydrophobicContact CG1-CD2 4.46Å; I74-F99 HydrophobicContact CG1-CE2 4.35Å; I74-F99 HydrophobicContact CG2-CD2 4.05Å; I74-F99 HydrophobicContact CG2-CE2 3.47Å; I74-F99 VanDerWaalsContact CG2-CE2 3.47Å; I74-F99 HydrophobicContact CG2-CZ 4.18Å; I74-C110 HydrophobicContact CD1-CB 3.89Å; I74-I114 HydrophobicContact CG1-CD1 4.11Å; I74-I114 HydrophobicContact CG2-CD1 4.41Å
75	S	98.5	Very high	98	Very high	14 Å²	14	36.1 Å²	36.1	10%	0.098	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.9	-173.8	-173.2	0	0	0	0	114.1	T67 Q73 K77 L78 W79	T67-S75 WeakPolarHBondContact O-CA 3.42Å; Q73-S75 PolarHBondContact O-N 2.86Å; S75-K77 PolarHBondContact O-N 3.31Å; S75-K77 VanDerWaalsContact OG-CB 3.3Å; S75-K77 WeakPolarHBondContact OG-CB 3.36Å; S75-K77 PolarHBondContact OG-N 3.12Å; S75-L78 PolarHBondContact O-N 2.87Å; S75-W79 PolarHBondContact O-N 3.16Å
76	D	98.5	Very high	98.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-4.3	170	71.6	2.6	0	0	0	114.3	S66 T67 Y69 L78 C80 S82 N85 S88 C96	S66-D76 VanDerWaalsContact CA-OD1 3.24Å; S66-D76 WeakPolarHBondContact CA-OD1 3.45Å; S66-D76 VanDerWaalsContact CB-OD1 3.23Å; S66-D76 WeakPolarHBondContact CB-OD1 3.28Å; T67-D76 PolarHBondContact N-OD1 3.33Å; T67-D76 PolarHBondContact O-N 3.32Å; Y69-D76 HydrophobicContact CE2-CB 3.78Å; Y69-D76 PolarHBondContact OH-OD2 2.83Å; D76-L78 PolarHBondContact O-N 2.91Å; D76-C80 WeakPolarHBondContact CA-O 3.23Å; D76-S82 WeakPolarHBondContact OD2-CB 3.42Å; D76-S82 PolarHBondContact OD2-OG 2.79Å; D76-N85 HydrophobicContact CB-CB 4.3Å; D76-N85 VanDerWaalsContact CG-ND2 3.27Å; D76-N85 WeakPolarHBondContact O-CB 3.13Å; D76-N85 PolarHBondContact OD1-ND2 3.29Å; D76-N85 PolarHBondContact OD2-ND2 3.41Å; D76-S88 WeakPolarHBondContact O-CB 3.32Å; D76-S88 PolarHBondContact O-OG 2.8Å; D76-S88 VanDerWaalsContact O-OG 3.14Å; D76-C96 WeakPolarHBondContact CB-SG 3.5Å
77	K	97.5	Very high	98	Very high	155 Å²	155	45.8 Å²	45.8	67%	0.674	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.1	174	-169.8	172.2	-179.8	176.9	0	112.3	S75	S75-K77 PolarHBondContact O-N 3.31Å; S75-K77 VanDerWaalsContact OG-CB 3.3Å; S75-K77 WeakPolarHBondContact OG-CB 3.36Å; S75-K77 PolarHBondContact OG-N 3.12Å
78	L	98.1	Very high	98	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.246	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.5	-40	-171.3	-171.7	66.9	0	0	0	114.3	S75 D76 K89 N90 I91	S75-L78 PolarHBondContact O-N 2.87Å; D76-L78 PolarHBondContact O-N 2.91Å; L78-K89 HydrophobicContact CD1-CB 4.03Å; L78-K89 HydrophobicContact CD1-CD 3.65Å; L78-K89 HydrophobicContact CD1-CG 3.94Å; L78-N90 PolarHBondContact O-N 3.01Å; L78-I91 HydrophobicContact CD1-CD1 3.91Å; L78-I91 HydrophobicContact CD2-CD1 4.04Å; L78-I91 HydrophobicContact CG-CD1 3.68Å; L78-I91 HydrophobicContact CG-CG1 4.43Å; L78-I91 PolarHBondContact O-N 3.14Å
79	W	98.8	Very high	98	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.019	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-39.7	-161.9	-63.9	112.7	0	0	0	113	I74 S75 N90 I91 C92 I114 K117 E118 H122	I74-W79 HydrophobicContact CG2-CB 3.42Å; I74-W79 VanDerWaalsContact CG2-CB 3.42Å; I74-W79 HydrophobicContact CG2-CG 4.18Å; S75-W79 PolarHBondContact O-N 3.16Å; W79-N90 CarbonylContact O-C 3.56Å; W79-N90 VanDerWaalsContact O-C 3.32Å; W79-I91 HydrophobicContact CE3-CB 3.79Å; W79-I91 HydrophobicContact CE3-CD1 4.18Å; W79-I91 HydrophobicContact CE3-CG2 3.89Å; W79-I91 HydrophobicContact CH2-CD1 4.42Å; W79-I91 HydrophobicContact CZ3-CB 4.05Å; W79-I91 HydrophobicContact CZ3-CD1 3.99Å; W79-I91 HydrophobicContact CZ3-CG2 3.68Å; W79-I91 PolarHBondContact O-N 3.42Å; W79-I91 VanDerWaalsContact O-N 3.13Å; W79-C92 VanDerWaalsContact O-CB 3.24Å; W79-C92 WeakPolarHBondContact O-CB 3.41Å; W79-C92 PolarHBondContact O-N 2.93Å; W79-I114 HydrophobicContact CD2-CD1 3.99Å; W79-I114 HydrophobicContact CD2-CG1 3.54Å; W79-I114 HydrophobicContact CE3-CD1 4.39Å; W79-I114 HydrophobicContact CE3-CG1 3.57Å; W79-I114 HydrophobicContact CG-CD1 4.07Å; W79-I114 HydrophobicContact CG-CG1 4.17Å; W79-I114 HydrophobicContact CH2-CB 4.24Å; W79-I114 HydrophobicContact CH2-CG1 3.84Å; W79-I114 HydrophobicContact CZ2-CB 4.29Å; W79-I114 HydrophobicContact CZ2-CG1 3.79Å; W79-I114 HydrophobicContact CZ2-CG2 4.2Å; W79-I114 HydrophobicContact CZ3-CB 4.44Å; W79-I114 HydrophobicContact CZ3-CG1 3.71Å; W79-K117 HydrophobicContact CH2-CB 4.07Å; W79-K117 HydrophobicContact CH2-CD 3.82Å; W79-K117 HydrophobicContact CZ3-CD 3.89Å; W79-E118 HydrophobicContact CH2-CG 4.15Å; W79-E118 HydrophobicContact CZ2-CG 3.81Å; W79-H122 AromaticContact NE1-CE1 3.6Å; W79-H122 AromaticContact NE1-NE2 3.7Å
80	C	98.8	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-129.1	168.3	177.6	57.9	0	0	0	0	110.9	D76 S88 N90 T94 C96 F99	D76-C80 WeakPolarHBondContact CA-O 3.23Å; C80-S88 WeakPolarHBondContact O-CB 3.33Å; C80-S88 PolarHBondContact O-OG 3.38Å; C80-N90 WeakPolarHBondContact CA-OD1 3.28Å; C80-T94 WeakPolarHBondContact CA-O 3.44Å; C80-T94 HydrophobicContact CB-CG2 4.34Å; C80-T94 VanDerWaalsContact CB-O 3.26Å; C80-T94 WeakPolarHBondContact CB-O 3.45Å; C80-C96 HydrophobicContact CB-CB 3.92Å; C80-C96 WeakPolarHBondContact CB-SG 3.39Å; C80-C96 WeakPolarHBondContact SG-CA 3.37Å; C80-C96 WeakPolarHBondContact SG-CB 3.47Å; C80-C96 CovalentContact SG-SG 2.02Å; C80-C96 PolarHBondContact SG-SG 3.28Å; C80-F99 HydrophobicContact CB-CD2 4.37Å; C80-F99 HydrophobicContact CB-CE2 3.57Å; C80-F99 HydrophobicContact CB-CZ 4.36Å
81	V	98.4	Very high	97.9	Very high	42 Å²	42	54.5 Å²	54.5	26%	0.255	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-102.1	139.1	176.1	64.3	0	0	0	0	110.8	N90 T94 P95 C96	V81-N90 HydrophobicContact CB-CB 4.24Å; V81-N90 PolarHBondContact N-OD1 2.91Å; V81-T94 PolarHBondContact N-O 3.19Å; V81-P95 WeakPolarHBondContact O-CA 3.46Å; V81-C96 VanDerWaalsContact C-SG 3.51Å; V81-C96 PolarHBondContact O-N 2.93Å; V81-C96 PolarHBondContact O-SG 3.49Å; V81-C96 VanDerWaalsContact O-SG 3.33Å
82	S	98.1	Very high	98	Very high	7 Å²	7	55.1 Å²	55.1	5%	0.049	27%	0.27	C	S	.	.			trans	-132.4	169	173.8	77.5	0	0	0	0	110	Y69 D76 Q84 N85	Y69-S82 WeakPolarHBondContact OH-CB 3.3Å; D76-S82 WeakPolarHBondContact OD2-CB 3.42Å; D76-S82 PolarHBondContact OD2-OG 2.79Å; S82-Q84 PolarHBondContact O-N 2.9Å; S82-Q84 PolarHBondContact OG-N 2.9Å; S82-N85 CarbonylContact O-C 3.4Å; S82-N85 VanDerWaalsContact O-C 3.24Å; S82-N85 PolarHBondContact O-N 3.13Å; S82-N85 PolarHBondContact OG-N 3.37Å
83	K	96.7	Very high	98	Very high	195 Å²	195	61.4 Å²	61.4	85%	0.848	30%	0.303	S	S	*	.	S	Bend	trans	-61.5	-31.4	171.2	-67.7	-179.2	-176.8	172.4	0	113
84	Q	96	Very high	97.9	Very high	92 Å²	92	61.5 Å²	61.5	43%	0.43	31%	0.305	S	S	.	.	S	Bend	trans	-71.5	-39.6	178.7	-179.9	-179.6	-0.3	0	0	111.2	T67 S82 P86	T67-Q84 PolarHBondContact OG1-OE1 3.24Å; S82-Q84 PolarHBondContact O-N 2.9Å; S82-Q84 PolarHBondContact OG-N 2.9Å; Q84-P86 VanDerWaalsContact C-CD 3.4Å; Q84-P86 VanDerWaalsContact O-CD 3.32Å; Q84-P86 WeakPolarHBondContact O-CD 3.31Å
85	N	97.5	Very high	97.9	Very high	41 Å²	41	64.1 Å²	64.1	22%	0.219	32%	0.322	C	S	.	.			trans	-122.3	67.4	-177.6	-76.5	-49.6	0	0	0	112	G65 S66 D76 S82 Q87 S88	G65-N85 PolarHBondContact O-ND2 3.34Å; G65-N85 PolarHBondContact O-OD1 2.87Å; S66-N85 WeakPolarHBondContact CA-ND2 3.4Å; D76-N85 HydrophobicContact CB-CB 4.3Å; D76-N85 VanDerWaalsContact CG-ND2 3.27Å; D76-N85 WeakPolarHBondContact O-CB 3.13Å; D76-N85 PolarHBondContact OD1-ND2 3.29Å; D76-N85 PolarHBondContact OD2-ND2 3.41Å; S82-N85 CarbonylContact O-C 3.4Å; S82-N85 VanDerWaalsContact O-C 3.24Å; S82-N85 PolarHBondContact O-N 3.13Å; S82-N85 PolarHBondContact OG-N 3.37Å; N85-Q87 PolarHBondContact O-N 3.38Å; N85-Q87 VanDerWaalsContact O-N 3.15Å; N85-S88 WeakPolarHBondContact O-CB 3.26Å; N85-S88 PolarHBondContact O-N 3.37Å; N85-S88 VanDerWaalsContact O-N 3.12Å
86	P	96.7	Very high	97.9	Very high	83 Å²	83	63.5 Å²	63.5	54%	0.539	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.7	-179	29.1	-35.9	0	0	0	113.2	Q84	Q84-P86 VanDerWaalsContact C-CD 3.4Å; Q84-P86 VanDerWaalsContact O-CD 3.32Å; Q84-P86 WeakPolarHBondContact O-CD 3.31Å
87	Q	97	Very high	97.9	Very high	179 Å²	179	67.5 Å²	67.5	84%	0.836	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	9.6	177.7	-56.3	-58.7	-33.8	0	0	113	N85	N85-Q87 PolarHBondContact O-N 3.38Å; N85-Q87 VanDerWaalsContact O-N 3.15Å
88	S	97.5	Very high	97.9	Very high	18 Å²	18	63.4 Å²	63.4	13%	0.126	32%	0.322	C	S	.	.			trans	-52.7	145.6	173.2	179.2	0	0	0	0	110.9	D76 C80 N85 N90	D76-S88 WeakPolarHBondContact O-CB 3.32Å; D76-S88 PolarHBondContact O-OG 2.8Å; D76-S88 VanDerWaalsContact O-OG 3.14Å; C80-S88 WeakPolarHBondContact O-CB 3.33Å; C80-S88 PolarHBondContact O-OG 3.38Å; N85-S88 WeakPolarHBondContact O-CB 3.26Å; N85-S88 PolarHBondContact O-N 3.37Å; N85-S88 VanDerWaalsContact O-N 3.12Å; S88-N90 PolarHBondContact O-N 3.25Å; S88-N90 PolarHBondContact OG-N 3.23Å; S88-N90 VanDerWaalsContact OG-N 3.17Å
89	K	98.1	Very high	98	Very high	165 Å²	165	61.1 Å²	61.1	72%	0.717	31%	0.31	S	S	*	.			trans	-64.9	-17.5	172.8	-62.9	-167	-171.1	171.8	0	112.4	L78 I91	L78-K89 HydrophobicContact CD1-CB 4.03Å; L78-K89 HydrophobicContact CD1-CD 3.65Å; L78-K89 HydrophobicContact CD1-CG 3.94Å; K89-I91 VanDerWaalsContact C-N 3.3Å; K89-I91 HydrophobicContact CB-CG1 4.11Å; K89-I91 PolarHBondContact O-N 3.17Å
90	N	98.3	Very high	97.9	Very high	35 Å²	35	63.1 Å²	63.1	19%	0.187	32%	0.321	C	S	.	.			trans	48.3	50.1	177.1	-169.9	24.2	0	0	0	112.3	L78 W79 C80 V81 S88 C92 D93 T94	L78-N90 PolarHBondContact O-N 3.01Å; W79-N90 CarbonylContact O-C 3.56Å; W79-N90 VanDerWaalsContact O-C 3.32Å; C80-N90 WeakPolarHBondContact CA-OD1 3.28Å; V81-N90 HydrophobicContact CB-CB 4.24Å; V81-N90 PolarHBondContact N-OD1 2.91Å; S88-N90 PolarHBondContact O-N 3.25Å; S88-N90 PolarHBondContact OG-N 3.23Å; S88-N90 VanDerWaalsContact OG-N 3.17Å; N90-C92 PolarHBondContact O-N 2.91Å; N90-C92 VanDerWaalsContact O-N 3.17Å; N90-D93 WeakPolarHBondContact O-CA 3.19Å; N90-D93 PolarHBondContact O-N 3.34Å; N90-D93 PolarHBondContact OD1-N 3.41Å; N90-T94 PolarHBondContact OD1-N 3.26Å; N90-T94 PolarHBondContact OD1-O 3.25Å
91	I	98.6	Very high	97.7	Very high	50 Å²	50	66.3 Å²	66.3	26%	0.256	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.6	-174.6	-64.2	178.4	0	0	0	112.2	L78 W79 K89 D93 K113 K117	L78-I91 HydrophobicContact CD1-CD1 3.91Å; L78-I91 HydrophobicContact CD2-CD1 4.04Å; L78-I91 HydrophobicContact CG-CD1 3.68Å; L78-I91 HydrophobicContact CG-CG1 4.43Å; L78-I91 PolarHBondContact O-N 3.14Å; W79-I91 HydrophobicContact CE3-CB 3.79Å; W79-I91 HydrophobicContact CE3-CD1 4.18Å; W79-I91 HydrophobicContact CE3-CG2 3.89Å; W79-I91 HydrophobicContact CH2-CD1 4.42Å; W79-I91 HydrophobicContact CZ3-CB 4.05Å; W79-I91 HydrophobicContact CZ3-CD1 3.99Å; W79-I91 HydrophobicContact CZ3-CG2 3.68Å; W79-I91 PolarHBondContact O-N 3.42Å; W79-I91 VanDerWaalsContact O-N 3.13Å; K89-I91 VanDerWaalsContact C-N 3.3Å; K89-I91 HydrophobicContact CB-CG1 4.11Å; K89-I91 PolarHBondContact O-N 3.17Å; I91-D93 VanDerWaalsContact C-N 3.26Å; I91-D93 PolarHBondContact O-N 3.38Å; I91-K113 PolarHBondContact O-NZ 3.37Å; I91-K117 HydrophobicContact CG2-CD 4.3Å
92	C	98.7	Very high	97.4	Very high	13 Å²	13	67.3 Å²	67.3	9%	0.088	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-15	177.1	-66.3	0	0	0	0	113.2	W79 N90 T94 F99 C110 K113	W79-C92 VanDerWaalsContact O-CB 3.24Å; W79-C92 WeakPolarHBondContact O-CB 3.41Å; W79-C92 PolarHBondContact O-N 2.93Å; N90-C92 PolarHBondContact O-N 2.91Å; N90-C92 VanDerWaalsContact O-N 3.17Å; C92-T94 HydrophobicContact CB-CG2 3.98Å; C92-F99 HydrophobicContact CB-CZ 4.43Å; C92-C110 HydrophobicContact CB-CB 3.7Å; C92-C110 WeakPolarHBondContact CB-SG 3.36Å; C92-C110 WeakPolarHBondContact SG-CA 3.42Å; C92-C110 WeakPolarHBondContact SG-CB 3.26Å; C92-C110 CovalentContact SG-SG 2.02Å; C92-C110 PolarHBondContact SG-SG 3.12Å; C92-K113 PolarHBondContact O-NZ 3Å
93	D	98.1	Very high	97.3	Very high	133 Å²	133	71 Å²	71	71%	0.711	36%	0.361	S	S	*	.			trans	59.5	48.4	-177.8	-164.6	30.7	0	0	0	112.4	N90 I91	N90-D93 WeakPolarHBondContact O-CA 3.19Å; N90-D93 PolarHBondContact O-N 3.34Å; N90-D93 PolarHBondContact OD1-N 3.41Å; I91-D93 VanDerWaalsContact C-N 3.26Å; I91-D93 PolarHBondContact O-N 3.38Å
94	T	97.9	Very high	97.3	Very high	17 Å²	17	62 Å²	62	10%	0.104	32%	0.322	C	S	.	.	S	Bend	trans	-152.1	144.8	-176.7	-167.6	0	0	0	0	111.6	C80 V81 N90 C92 N98 F99	C80-T94 WeakPolarHBondContact CA-O 3.44Å; C80-T94 HydrophobicContact CB-CG2 4.34Å; C80-T94 VanDerWaalsContact CB-O 3.26Å; C80-T94 WeakPolarHBondContact CB-O 3.45Å; V81-T94 PolarHBondContact N-O 3.19Å; N90-T94 PolarHBondContact OD1-N 3.26Å; N90-T94 PolarHBondContact OD1-O 3.25Å; C92-T94 HydrophobicContact CB-CG2 3.98Å; T94-N98 PolarHBondContact OG1-ND2 2.75Å; T94-F99 HydrophobicContact CG2-CE1 3.65Å; T94-F99 HydrophobicContact CG2-CE2 3.86Å; T94-F99 HydrophobicContact CG2-CZ 3.15Å
95	P	98.4	Very high	97.4	Very high	56 Å²	56	60.8 Å²	60.8	36%	0.364	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-59.9	138.6	166.6	-20.5	32.7	0	0	0	111.4	V81 E97 N98	V81-P95 WeakPolarHBondContact O-CA 3.46Å; P95-E97 WeakPolarHBondContact CB-OE2 3.07Å; P95-E97 PolarHBondContact O-N 3.24Å; P95-N98 PolarHBondContact O-N 3.04Å
96	C	98.7	Very high	97.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-63.4	-26.4	179.2	-60	0	0	0	0	112.8	Y69 D76 C80 V81 N98 F99	Y69-C96 HydrophobicContact CD1-CB 3.79Å; Y69-C96 HydrophobicContact CD2-CB 3.6Å; Y69-C96 HydrophobicContact CE1-CB 3.79Å; Y69-C96 HydrophobicContact CE2-CB 3.61Å; Y69-C96 HydrophobicContact CG-CB 3.72Å; D76-C96 WeakPolarHBondContact CB-SG 3.5Å; C80-C96 HydrophobicContact CB-CB 3.92Å; C80-C96 WeakPolarHBondContact CB-SG 3.39Å; C80-C96 WeakPolarHBondContact SG-CA 3.37Å; C80-C96 WeakPolarHBondContact SG-CB 3.47Å; C80-C96 CovalentContact SG-SG 2.02Å; C80-C96 PolarHBondContact SG-SG 3.28Å; V81-C96 VanDerWaalsContact C-SG 3.51Å; V81-C96 PolarHBondContact O-N 2.93Å; V81-C96 PolarHBondContact O-SG 3.49Å; V81-C96 VanDerWaalsContact O-SG 3.33Å; C96-N98 PolarHBondContact O-N 3.05Å; C96-F99 PolarHBondContact O-N 2.69Å
97	E	98.1	Very high	97.5	Very high	85 Å²	85	56.7 Å²	56.7	40%	0.397	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-64	-21.5	178.6	-63.6	81.4	179.9	0	0	113.2	P95 F99 L100	P95-E97 WeakPolarHBondContact CB-OE2 3.07Å; P95-E97 PolarHBondContact O-N 3.24Å; E97-F99 VanDerWaalsContact C-N 3.28Å; E97-F99 PolarHBondContact O-N 3.48Å; E97-L100 PolarHBondContact O-N 3.19Å
98	N	98.4	Very high	97.6	Very high	68 Å²	68	48.4 Å²	48.4	36%	0.364	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-70.8	-26	177.1	-68	-3.9	0	0	0	112.3	T94 P95 C96 L100 D106	T94-N98 PolarHBondContact OG1-ND2 2.75Å; P95-N98 PolarHBondContact O-N 3.04Å; C96-N98 PolarHBondContact O-N 3.05Å; N98-L100 PolarHBondContact O-N 2.91Å; N98-L100 VanDerWaalsContact O-N 3.12Å; N98-D106 WeakPolarHBondContact CB-OD2 3.34Å
99	F	98.5	Very high	97.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-76.5	8.5	176.6	-53.9	-43.6	0	0	0	113.9	G70 I74 C80 C92 T94 C96 E97 D106 D107 C110	G70-F99 WeakPolarHBondContact CA-O 3.27Å; I74-F99 HydrophobicContact CB-CD2 3.89Å; I74-F99 HydrophobicContact CB-CE2 3.81Å; I74-F99 HydrophobicContact CD1-CD1 4.01Å; I74-F99 HydrophobicContact CD1-CD2 3.83Å; I74-F99 HydrophobicContact CD1-CE1 3.89Å; I74-F99 HydrophobicContact CD1-CE2 3.69Å; I74-F99 HydrophobicContact CD1-CG 3.97Å; I74-F99 HydrophobicContact CD1-CZ 3.7Å; I74-F99 HydrophobicContact CG1-CD2 4.46Å; I74-F99 HydrophobicContact CG1-CE2 4.35Å; I74-F99 HydrophobicContact CG2-CD2 4.05Å; I74-F99 HydrophobicContact CG2-CE2 3.47Å; I74-F99 VanDerWaalsContact CG2-CE2 3.47Å; I74-F99 HydrophobicContact CG2-CZ 4.18Å; C80-F99 HydrophobicContact CB-CD2 4.37Å; C80-F99 HydrophobicContact CB-CE2 3.57Å; C80-F99 HydrophobicContact CB-CZ 4.36Å; C92-F99 HydrophobicContact CB-CZ 4.43Å; T94-F99 HydrophobicContact CG2-CE1 3.65Å; T94-F99 HydrophobicContact CG2-CE2 3.86Å; T94-F99 HydrophobicContact CG2-CZ 3.15Å; C96-F99 PolarHBondContact O-N 2.69Å; E97-F99 VanDerWaalsContact C-N 3.28Å; E97-F99 PolarHBondContact O-N 3.48Å; F99-D106 HydrophobicContact CE1-CB 4.49Å; F99-D107 HydrophobicContact CD1-CB 4.31Å; F99-C110 HydrophobicContact CE1-CB 3.99Å; F99-C110 HydrophobicContact CZ-CB 3.73Å
100	L	97.8	Very high	97.7	Very high	46 Å²	46	45.5 Å²	45.5	24%	0.241	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-108.2	17.6	-179	-60.1	-179.6	0	0	0	112.9	T57 K58 T60 Y69 E97 N98	T57-L100 WeakPolarHBondContact O-CA 3.31Å; K58-L100 WeakPolarHBondContact CG-O 3.44Å; T60-L100 HydrophobicContact CG2-CD1 3.75Å; T60-L100 HydrophobicContact CG2-CD2 3.66Å; T60-L100 HydrophobicContact CG2-CG 4.36Å; Y69-L100 HydrophobicContact CD1-CD1 3.94Å; Y69-L100 HydrophobicContact CD1-CD2 4.17Å; Y69-L100 HydrophobicContact CD1-CG 4.1Å; Y69-L100 HydrophobicContact CE1-CD1 4.48Å; E97-L100 PolarHBondContact O-N 3.19Å; N98-L100 PolarHBondContact O-N 2.91Å; N98-L100 VanDerWaalsContact O-N 3.12Å
101	D	94.9	Very high	97.7	Very high	67 Å²	67	43.8 Å²	43.8	36%	0.358	23%	0.233	S	C	.	.	S	Bend	trans	-114.3	175.4	177	78.2	36.3	0	0	0	112.4	N103	D101-N103 VanDerWaalsContact C-N 3.26Å; D101-N103 PolarHBondContact O-N 3.46Å; D101-N103 VanDerWaalsContact OD1-CA 3.31Å; D101-N103 WeakPolarHBondContact OD1-CA 3.43Å; D101-N103 VanDerWaalsContact OD1-CB 3.27Å; D101-N103 WeakPolarHBondContact OD1-CB 3.36Å; D101-N103 PolarHBondContact OD1-N 3.25Å
102	D	92.2	Very high	97.7	Very high	64 Å²	64	43.2 Å²	43.2	34%	0.342	23%	0.229	S	C	.	.	S	Bend	trans	-83.6	-2.2	-175.8	-61.6	-45.5	0	0	0	112.8	K30 T57 K58	K30-D102 PolarHBondContact NZ-O 3.11Å; T57-D102 PolarHBondContact OG1-OD1 2.02Å; K58-D102 VanDerWaalsContact CE-OD1 3.27Å; K58-D102 WeakPolarHBondContact CE-OD1 3.18Å; K58-D102 IonicContact NZ-OD1 2.83Å; K58-D102 PolarHBondContact NZ-OD1 3.34Å; K58-D102 IonicContact NZ-OD2 3.74Å; K58-D102 PolarHBondContact NZ-OD2 2.83Å
103	N	95.2	Very high	97.7	Very high	84 Å²	84	46.5 Å²	46.5	45%	0.449	24%	0.242	S	C	.	.			trans	-95.9	90.8	177.8	172	28.3	0	0	0	111	D101 T105	D101-N103 VanDerWaalsContact C-N 3.26Å; D101-N103 PolarHBondContact O-N 3.46Å; D101-N103 VanDerWaalsContact OD1-CA 3.31Å; D101-N103 WeakPolarHBondContact OD1-CA 3.43Å; D101-N103 VanDerWaalsContact OD1-CB 3.27Å; D101-N103 WeakPolarHBondContact OD1-CB 3.36Å; D101-N103 PolarHBondContact OD1-N 3.25Å; N103-T105 PolarHBondContact O-N 3.35Å; N103-T105 WeakPolarHBondContact OD1-CB 3.5Å; N103-T105 PolarHBondContact OD1-N 2.93Å; N103-T105 PolarHBondContact OD1-OG1 2.91Å
104	L	97.2	Very high	97.8	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	14.5	-177.2	-54.4	-176.9	0	0	0	115.5	L22 L27 K30 L31 T57 I71 D107 V108	L22-L104 HydrophobicContact CD1-CD1 3.97Å; L27-L104 HydrophobicContact CD1-CD1 3.55Å; K30-L104 HydrophobicContact CB-CD1 4.05Å; K30-L104 HydrophobicContact CD-CD1 3.99Å; K30-L104 HydrophobicContact CD-CG 4.36Å; L31-L104 HydrophobicContact CD2-CD1 4.14Å; T57-L104 HydrophobicContact CG2-CD2 3.93Å; I71-L104 HydrophobicContact CD1-CD1 4.45Å; I71-L104 HydrophobicContact CG2-CD1 4.27Å; I71-L104 HydrophobicContact CG2-CD2 3.82Å; L104-D107 HydrophobicContact CB-CB 4.27Å; L104-D107 HydrophobicContact CD2-CB 4.38Å; L104-V108 HydrophobicContact CB-CG2 4.42Å; L104-V108 VanDerWaalsContact O-CB 3.3Å; L104-V108 WeakPolarHBondContact O-CB 3.41Å; L104-V108 WeakPolarHBondContact O-CG2 3.45Å; L104-V108 PolarHBondContact O-N 2.92Å
105	T	97.9	Very high	97.8	Very high	68 Å²	68	39.9 Å²	39.9	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-67	-44.3	-173.1	-59.7	0	0	0	0	111.9	N103 K109	N103-T105 PolarHBondContact O-N 3.35Å; N103-T105 WeakPolarHBondContact OD1-CB 3.5Å; N103-T105 PolarHBondContact OD1-N 2.93Å; N103-T105 PolarHBondContact OD1-OG1 2.91Å; T105-K109 WeakPolarHBondContact O-CG 3.43Å; T105-K109 PolarHBondContact O-N 3.33Å
106	D	98.1	Very high	97.8	Very high	38 Å²	38	40.9 Å²	40.9	20%	0.203	21%	0.208	C	C	.	.	H	α-helix	trans	-78.2	-33.2	176.7	55.8	-43.2	0	0	0	112.3	N98 F99 K109 C110	N98-D106 WeakPolarHBondContact CB-OD2 3.34Å; F99-D106 HydrophobicContact CE1-CB 4.49Å; D106-K109 PolarHBondContact O-N 2.8Å; D106-C110 WeakPolarHBondContact O-CB 3.28Å; D106-C110 PolarHBondContact O-N 3.21Å
107	D	98.7	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-54.4	-53.4	168.7	-61.3	-122.1	0	0	0	111.6	F72 F99 L104 K109 C110 A111	F72-D107 HydrophobicContact CD2-CB 3.74Å; F72-D107 HydrophobicContact CE2-CB 3.83Å; F99-D107 HydrophobicContact CD1-CB 4.31Å; L104-D107 HydrophobicContact CB-CB 4.27Å; L104-D107 HydrophobicContact CD2-CB 4.38Å; D107-K109 VanDerWaalsContact C-N 3.35Å; D107-K109 PolarHBondContact O-N 3.33Å; D107-C110 CarbonylContact O-C 3.48Å; D107-C110 PolarHBondContact O-N 3.32Å; D107-C110 VanDerWaalsContact O-N 3.13Å; D107-A111 WeakPolarHBondContact O-CB 3.33Å; D107-A111 PolarHBondContact O-N 2.98Å
108	V	98.7	Very high	97.8	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.03	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-45.3	-179.9	164.5	0	0	0	0	110.7	L31 E33 L34 F72 L104 C110 A111 M112	L31-V108 HydrophobicContact CD2-CG2 3.54Å; E33-V108 HydrophobicContact CB-CG1 4.07Å; L34-V108 HydrophobicContact CD1-CG1 4.46Å; L34-V108 HydrophobicContact CD1-CG2 4.27Å; L34-V108 HydrophobicContact CD2-CG1 4.18Å; L34-V108 HydrophobicContact CG-CG1 3.97Å; F72-V108 HydrophobicContact CE2-CG2 4.35Å; F72-V108 HydrophobicContact CZ-CG2 4.29Å; L104-V108 HydrophobicContact CB-CG2 4.42Å; L104-V108 VanDerWaalsContact O-CB 3.3Å; L104-V108 WeakPolarHBondContact O-CB 3.41Å; L104-V108 WeakPolarHBondContact O-CG2 3.45Å; L104-V108 PolarHBondContact O-N 2.92Å; V108-C110 VanDerWaalsContact C-N 3.3Å; V108-C110 PolarHBondContact O-N 3.36Å; V108-A111 PolarHBondContact O-N 2.98Å; V108-M112 HydrophobicContact CG1-SD 4.26Å; V108-M112 VanDerWaalsContact O-CG 3.31Å; V108-M112 WeakPolarHBondContact O-CG 3.42Å; V108-M112 PolarHBondContact O-N 2.94Å
109	K	98.5	Very high	97.8	Very high	118 Å²	118	46.4 Å²	46.4	51%	0.513	24%	0.237	S	C	.	.	H	α-helix	trans	-60.8	-39.7	176.4	-73.9	172.1	-175.9	173.4	0	112.2	T105 D106 D107 K113	T105-K109 WeakPolarHBondContact O-CG 3.43Å; T105-K109 PolarHBondContact O-N 3.33Å; D106-K109 PolarHBondContact O-N 2.8Å; D107-K109 VanDerWaalsContact C-N 3.35Å; D107-K109 PolarHBondContact O-N 3.33Å; K109-K113 PolarHBondContact O-N 3.02Å
110	C	98.8	Very high	97.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-69.2	-43.6	176.3	-173.9	0	0	0	0	111.4	I74 C92 F99 D106 D107 V108 M112 K113 I114	I74-C110 HydrophobicContact CD1-CB 3.89Å; C92-C110 HydrophobicContact CB-CB 3.7Å; C92-C110 WeakPolarHBondContact CB-SG 3.36Å; C92-C110 WeakPolarHBondContact SG-CA 3.42Å; C92-C110 WeakPolarHBondContact SG-CB 3.26Å; C92-C110 CovalentContact SG-SG 2.02Å; C92-C110 PolarHBondContact SG-SG 3.12Å; F99-C110 HydrophobicContact CE1-CB 3.99Å; F99-C110 HydrophobicContact CZ-CB 3.73Å; D106-C110 WeakPolarHBondContact O-CB 3.28Å; D106-C110 PolarHBondContact O-N 3.21Å; D107-C110 CarbonylContact O-C 3.48Å; D107-C110 PolarHBondContact O-N 3.32Å; D107-C110 VanDerWaalsContact O-N 3.13Å; V108-C110 VanDerWaalsContact C-N 3.3Å; V108-C110 PolarHBondContact O-N 3.36Å; C110-M112 VanDerWaalsContact C-N 3.3Å; C110-M112 PolarHBondContact O-N 2.93Å; C110-K113 WeakPolarHBondContact O-CA 3.24Å; C110-K113 WeakPolarHBondContact O-CB 3.06Å; C110-K113 PolarHBondContact O-N 3.23Å; C110-I114 WeakPolarHBondContact O-CG1 2.97Å; C110-I114 PolarHBondContact O-N 3.2Å
111	A	98.8	Very high	97.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-39.5	175.5	0	0	0	0	0	112.2	F72 D107 V108 K113 I114 L115 W123	F72-A111 HydrophobicContact CD1-CB 3.52Å; F72-A111 HydrophobicContact CD2-CB 4.45Å; F72-A111 HydrophobicContact CE1-CB 3.48Å; F72-A111 VanDerWaalsContact CE1-CB 3.48Å; F72-A111 HydrophobicContact CE2-CB 4.41Å; F72-A111 HydrophobicContact CG-CB 4.03Å; F72-A111 HydrophobicContact CZ-CB 3.96Å; D107-A111 WeakPolarHBondContact O-CB 3.33Å; D107-A111 PolarHBondContact O-N 2.98Å; V108-A111 PolarHBondContact O-N 2.98Å; A111-K113 PolarHBondContact O-N 2.98Å; A111-I114 WeakPolarHBondContact O-CB 3.31Å; A111-I114 PolarHBondContact O-N 3.5Å; A111-L115 WeakPolarHBondContact O-CB 3.45Å; A111-L115 PolarHBondContact O-N 2.02Å; A111-W123 HydrophobicContact CB-CH2 4.2Å; A111-W123 HydrophobicContact CB-CZ2 4.06Å
112	M	98.7	Very high	97.9	Very high	38 Å²	38	48.5 Å²	48.5	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-42.7	173	-68	174.2	81.9	0	0	112.1	L34 Y37 V108 C110 I114 L115 D116	L34-M112 HydrophobicContact CD2-CG 3.47Å; L34-M112 VanDerWaalsContact CD2-CG 3.47Å; L34-M112 HydrophobicContact CD2-SD 4.43Å; Y37-M112 HydrophobicContact CD1-CB 4.45Å; Y37-M112 HydrophobicContact CD1-CE 3.98Å; Y37-M112 HydrophobicContact CD1-CG 3.98Å; Y37-M112 HydrophobicContact CD2-CE 3.8Å; Y37-M112 HydrophobicContact CE1-CB 3.79Å; Y37-M112 HydrophobicContact CE1-CE 3.74Å; Y37-M112 HydrophobicContact CE1-CG 3.79Å; Y37-M112 HydrophobicContact CE2-CE 3.54Å; Y37-M112 HydrophobicContact CG-CE 4.01Å; Y37-M112 VanDerWaalsContact CZ-CE 3.5Å; V108-M112 HydrophobicContact CG1-SD 4.26Å; V108-M112 VanDerWaalsContact O-CG 3.31Å; V108-M112 WeakPolarHBondContact O-CG 3.42Å; V108-M112 PolarHBondContact O-N 2.94Å; C110-M112 VanDerWaalsContact C-N 3.3Å; C110-M112 PolarHBondContact O-N 2.93Å; M112-I114 VanDerWaalsContact C-N 3.32Å; M112-I114 PolarHBondContact O-N 2.88Å; M112-L115 PolarHBondContact O-N 2.87Å; M112-D116 WeakPolarHBondContact O-CB 3.45Å; M112-D116 PolarHBondContact O-N 3.35Å
113	K	98.6	Very high	98.2	Very high	82 Å²	82	45.9 Å²	45.9	36%	0.357	23%	0.232	S	C	.	.	H	α-helix	trans	-63	-38.4	175.1	-70.2	176	176.9	-177.1	0	112.1	I91 C92 K109 C110 A111 K117	I91-K113 PolarHBondContact O-NZ 3.37Å; C92-K113 PolarHBondContact O-NZ 3Å; K109-K113 PolarHBondContact O-N 3.02Å; C110-K113 WeakPolarHBondContact O-CA 3.24Å; C110-K113 WeakPolarHBondContact O-CB 3.06Å; C110-K113 PolarHBondContact O-N 3.23Å; A111-K113 PolarHBondContact O-N 2.98Å; K113-K117 WeakPolarHBondContact O-CG 3.38Å; K113-K117 PolarHBondContact O-N 3.46Å
114	I	98.8	Very high	98.3	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-51.2	175.2	-66.9	171.5	0	0	0	109.4	I74 W79 C110 A111 M112 D116 K117 E118 H122 W123	I74-I114 HydrophobicContact CG1-CD1 4.11Å; I74-I114 HydrophobicContact CG2-CD1 4.41Å; W79-I114 HydrophobicContact CD2-CD1 3.99Å; W79-I114 HydrophobicContact CD2-CG1 3.54Å; W79-I114 HydrophobicContact CE3-CD1 4.39Å; W79-I114 HydrophobicContact CE3-CG1 3.57Å; W79-I114 HydrophobicContact CG-CD1 4.07Å; W79-I114 HydrophobicContact CG-CG1 4.17Å; W79-I114 HydrophobicContact CH2-CB 4.24Å; W79-I114 HydrophobicContact CH2-CG1 3.84Å; W79-I114 HydrophobicContact CZ2-CB 4.29Å; W79-I114 HydrophobicContact CZ2-CG1 3.79Å; W79-I114 HydrophobicContact CZ2-CG2 4.2Å; W79-I114 HydrophobicContact CZ3-CB 4.44Å; W79-I114 HydrophobicContact CZ3-CG1 3.71Å; C110-I114 WeakPolarHBondContact O-CG1 2.97Å; C110-I114 PolarHBondContact O-N 3.2Å; A111-I114 WeakPolarHBondContact O-CB 3.31Å; A111-I114 PolarHBondContact O-N 3.5Å; M112-I114 VanDerWaalsContact C-N 3.32Å; M112-I114 PolarHBondContact O-N 2.88Å; I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.13Å; I114-K117 PolarHBondContact O-N 3.22Å; I114-E118 PolarHBondContact O-N 3.33Å; I114-H122 HydrophobicContact CG2-CB 3.88Å; I114-H122 WeakPolarHBondContact CG2-CD2 3.4Å; I114-H122 VanDerWaalsContact CG2-CG 3.45Å; I114-W123 HydrophobicContact CB-CH2 3.96Å; I114-W123 HydrophobicContact CB-CZ2 4.35Å; I114-W123 HydrophobicContact CD1-CZ2 4.39Å; I114-W123 HydrophobicContact CG2-CH2 3.65Å; I114-W123 HydrophobicContact CG2-CZ2 4.03Å; I114-W123 HydrophobicContact CG2-CZ3 4.14Å
115	L	98.5	Very high	98.4	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-42.2	180	-173.2	69.8	0	0	0	112	Y37 R38 I40 W45 A111 M112 K117 G119 I120 W123	Y37-L115 HydrophobicContact CD1-CD2 3.43Å; Y37-L115 VanDerWaalsContact CD1-CD2 3.43Å; Y37-L115 HydrophobicContact CE1-CD2 3.79Å; R38-L115 HydrophobicContact CB-CD2 3.72Å; R38-L115 HydrophobicContact CB-CG 4.22Å; R38-L115 HydrophobicContact CG-CD2 3.63Å; R38-L115 HydrophobicContact CG-CG 4.02Å; I40-L115 HydrophobicContact CG1-CD1 4.48Å; W45-L115 HydrophobicContact CH2-CD1 4.49Å; W45-L115 HydrophobicContact CZ2-CD1 4.29Å; W45-L115 HydrophobicContact CZ2-CD2 3.9Å; A111-L115 WeakPolarHBondContact O-CB 3.45Å; A111-L115 PolarHBondContact O-N 2.02Å; M112-L115 PolarHBondContact O-N 2.87Å; L115-K117 PolarHBondContact O-N 2.69Å; L115-G119 VanDerWaalsContact O-CA 3.27Å; L115-G119 WeakPolarHBondContact O-CA 3.04Å; L115-G119 PolarHBondContact O-N 2.8Å; L115-I120 HydrophobicContact CD1-CB 3.72Å; L115-I120 HydrophobicContact CD1-CD1 4.08Å; L115-W123 HydrophobicContact CB-CZ3 4.5Å; L115-W123 HydrophobicContact CD1-CZ3 4.27Å
116	D	98.4	Very high	98.4	Very high	77 Å²	77	46.7 Å²	46.7	41%	0.412	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-26.7	176.8	-85.1	-9.2	0	0	0	114	Y37 R38 M112 I114	Y37-D116 VanDerWaalsContact OH-CG 3.23Å; Y37-D116 PolarHBondContact OH-OD1 3.33Å; Y37-D116 PolarHBondContact OH-OD2 3.06Å; Y37-D116 VanDerWaalsContact OH-OD2 3.05Å; R38-D116 IonicContact CZ-OD1 3.13Å; R38-D116 IonicContact NE-OD1 2.75Å; R38-D116 PolarHBondContact NE-OD1 3.02Å; R38-D116 IonicContact NH2-OD1 2.69Å; R38-D116 PolarHBondContact NH2-OD1 2.61Å; R38-D116 IonicContact NH2-OD2 3.71Å; M112-D116 WeakPolarHBondContact O-CB 3.45Å; M112-D116 PolarHBondContact O-N 3.35Å; I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.13Å
117	K	98.3	Very high	98.3	Very high	129 Å²	129	51.8 Å²	51.8	56%	0.561	26%	0.255	S	S	*	.	H	α-helix	trans	-99.5	-41.9	-175.4	-76	-179.2	172.7	-63.2	0	113.4	W79 I91 K113 I114 L115	W79-K117 HydrophobicContact CH2-CB 4.07Å; W79-K117 HydrophobicContact CH2-CD 3.82Å; W79-K117 HydrophobicContact CZ3-CD 3.89Å; I91-K117 HydrophobicContact CG2-CD 4.3Å; K113-K117 WeakPolarHBondContact O-CG 3.38Å; K113-K117 PolarHBondContact O-N 3.46Å; I114-K117 PolarHBondContact O-N 3.22Å; L115-K117 PolarHBondContact O-N 2.69Å
118	E	98.1	Very high	98.3	Very high	112 Å²	112	56.3 Å²	56.3	52%	0.523	28%	0.284	S	S	.	.	H	α-helix	trans	-118.2	-13.3	-168.4	-55.9	-61.6	150.4	0	0	112.7	W79 I114 H122	W79-E118 HydrophobicContact CH2-CG 4.15Å; W79-E118 HydrophobicContact CZ2-CG 3.81Å; I114-E118 PolarHBondContact O-N 3.33Å; E118-H122 HydrophobicContact CB-CB 3.97Å
119	G	98.1	Very high	98.3	Very high	28 Å²	28	60.4 Å²	60.4	29%	0.289	31%	0.305	S	S	.	.			trans	75.1	176.5	-174	0	0	0	0	0	113.6	L115 D121 H122	L115-G119 VanDerWaalsContact O-CA 3.27Å; L115-G119 WeakPolarHBondContact O-CA 3.04Å; L115-G119 PolarHBondContact O-N 2.8Å; G119-D121 PolarHBondContact O-N 3.38Å; G119-H122 WeakPolarHBondContact O-CB 3.43Å; G119-H122 PolarHBondContact O-N 3.39Å
120	I	98.1	Very high	98.2	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.097	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-69.2	-23.5	-174.2	-170.5	67.1	0	0	0	112.4	I40 W45 L115 H122 W123 H126	I40-I120 HydrophobicContact CD1-CB 3.96Å; I40-I120 HydrophobicContact CD1-CG1 4.18Å; I40-I120 HydrophobicContact CD1-CG2 3.78Å; I40-I120 HydrophobicContact CG1-CB 4.2Å; I40-I120 HydrophobicContact CG1-CD1 4.37Å; I40-I120 HydrophobicContact CG1-CG1 4.28Å; I40-I120 HydrophobicContact CG2-CD1 4.04Å; I40-I120 HydrophobicContact CG2-CG1 4.27Å; W45-I120 HydrophobicContact CD2-CD1 4.31Å; W45-I120 HydrophobicContact CE3-CD1 4.15Å; W45-I120 HydrophobicContact CH2-CD1 3.53Å; W45-I120 HydrophobicContact CZ2-CD1 3.68Å; W45-I120 HydrophobicContact CZ3-CD1 3.77Å; L115-I120 HydrophobicContact CD1-CB 3.72Å; L115-I120 HydrophobicContact CD1-CD1 4.08Å; I120-H122 PolarHBondContact O-N 2.8Å; I120-H122 VanDerWaalsContact O-N 3.14Å; I120-W123 HydrophobicContact CD1-CE3 3.87Å; I120-W123 HydrophobicContact CD1-CZ3 4.09Å; I120-W123 PolarHBondContact O-N 2.83Å; I120-W123 VanDerWaalsContact O-N 3.17Å; I120-H126 HydrophobicContact CG1-CB 4.15Å; I120-H126 WeakPolarHBondContact CG1-CD2 3.2Å; I120-H126 WeakPolarHBondContact CG2-CE1 3.39Å; I120-H126 WeakPolarHBondContact CG2-ND1 3.42Å
121	D	97.3	Very high	98.1	Very high	74 Å²	74	57.6 Å²	57.6	40%	0.396	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-71.9	-2.7	176.4	-73.4	-8.7	0	0	0	113.3	G119 W123 H126	G119-D121 PolarHBondContact O-N 3.38Å; D121-W123 PolarHBondContact O-N 3.19Å; D121-H126 IonicContact OD1-CE1 2.9Å; D121-H126 IonicContact OD1-CG 3.67Å; D121-H126 IonicContact OD1-ND1 3.43Å; D121-H126 PolarHBondContact OD1-ND1 2.84Å
122	H	98.4	Very high	97.9	Very high	65 Å²	65	64.3 Å²	64.3	30%	0.301	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-54.7	-39.5	164.3	-175.7	75	0	0	0	111.3	W79 I114 E118 G119 I120 L124	W79-H122 AromaticContact NE1-CE1 3.6Å; W79-H122 AromaticContact NE1-NE2 3.7Å; I114-H122 HydrophobicContact CG2-CB 3.88Å; I114-H122 WeakPolarHBondContact CG2-CD2 3.4Å; I114-H122 VanDerWaalsContact CG2-CG 3.45Å; E118-H122 HydrophobicContact CB-CB 3.97Å; G119-H122 WeakPolarHBondContact O-CB 3.43Å; G119-H122 PolarHBondContact O-N 3.39Å; I120-H122 PolarHBondContact O-N 2.8Å; I120-H122 VanDerWaalsContact O-N 3.14Å; H122-L124 PolarHBondContact O-N 3.4Å
123	W	98.5	Very high	97.7	Very high	8 Å²	8	68.7 Å²	68.7	3%	0.03	36%	0.356	C	S	.	.	S	Bend	trans	-83.7	102.9	171.3	-63.2	-83.5	0	0	0	109	W45 T48 F72 A111 I114 L115 I120 D121 A125 H126	W45-W123 HydrophobicContact CH2-CE3 4.05Å; W45-W123 AromaticContact CH2-CH2 3.56Å; W45-W123 HydrophobicContact CH2-CH2 3.56Å; W45-W123 HydrophobicContact CH2-CZ2 4.22Å; W45-W123 AromaticContact CH2-CZ3 3.47Å; W45-W123 HydrophobicContact CH2-CZ3 3.47Å; W45-W123 VanDerWaalsContact CH2-CZ3 3.47Å; W45-W123 HydrophobicContact CZ3-CD2 4.28Å; W45-W123 HydrophobicContact CZ3-CE3 4.05Å; W45-W123 AromaticContact CZ3-CH2 3.93Å; W45-W123 HydrophobicContact CZ3-CH2 3.93Å; W45-W123 HydrophobicContact CZ3-CZ2 4.15Å; W45-W123 AromaticContact CZ3-CZ3 3.88Å; W45-W123 HydrophobicContact CZ3-CZ3 3.88Å; T48-W123 HydrophobicContact CG2-CB 3.39Å; T48-W123 HydrophobicContact CG2-CG 3.96Å; F72-W123 AromaticContact CD1-CZ2 3.91Å; F72-W123 HydrophobicContact CD1-CZ2 3.91Å; F72-W123 PolarHBondContact O-NE1 3.21Å; A111-W123 HydrophobicContact CB-CH2 4.2Å; A111-W123 HydrophobicContact CB-CZ2 4.06Å; I114-W123 HydrophobicContact CB-CH2 3.96Å; I114-W123 HydrophobicContact CB-CZ2 4.35Å; I114-W123 HydrophobicContact CD1-CZ2 4.39Å; I114-W123 HydrophobicContact CG2-CH2 3.65Å; I114-W123 HydrophobicContact CG2-CZ2 4.03Å; I114-W123 HydrophobicContact CG2-CZ3 4.14Å; L115-W123 HydrophobicContact CB-CZ3 4.5Å; L115-W123 HydrophobicContact CD1-CZ3 4.27Å; I120-W123 HydrophobicContact CD1-CE3 3.87Å; I120-W123 HydrophobicContact CD1-CZ3 4.09Å; I120-W123 PolarHBondContact O-N 2.83Å; I120-W123 VanDerWaalsContact O-N 3.17Å; D121-W123 PolarHBondContact O-N 3.19Å; W123-A125 PolarHBondContact O-N 3Å; W123-H126 VanDerWaalsContact O-CB 3.28Å; W123-H126 WeakPolarHBondContact O-CB 3.3Å; W123-H126 PolarHBondContact O-N 2.77Å
124	L	98.1	Very high	97.6	Very high	150 Å²	150	66.1 Å²	66.1	79%	0.785	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.7	-171.2	-60.9	179.4	0	0	0	114.8	H122 H126 P128	H122-L124 PolarHBondContact O-N 3.4Å; L124-H126 VanDerWaalsContact C-N 3.34Å; L124-P128 VanDerWaalsContact O-CD 3.23Å; L124-P128 WeakPolarHBondContact O-CD 3.47Å; L124-P128 WeakPolarHBondContact O-CG 3.36Å
125	A	98	Very high	97.4	Very high	13 Å²	13	74.2 Å²	74.2	11%	0.107	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.5	174.5	0	0	0	0	0	113.4	H51 W123 P128 L129	H51-A125 HydrophobicContact CB-CB 3.56Å; W123-A125 PolarHBondContact O-N 3Å; A125-P128 WeakPolarHBondContact O-CD 3.24Å; A125-L129 HydrophobicContact CB-CD1 4.43Å; A125-L129 WeakPolarHBondContact O-CB 3.23Å; A125-L129 PolarHBondContact O-N 2.77Å; A125-L129 VanDerWaalsContact O-N 3.16Å
126	H	98.5	Very high	97.2	Very high	11 Å²	11	79.9 Å²	79.9	5%	0.051	41%	0.41	C	S	.	.	H	α-helix	trans	-58.5	-62.6	-169.1	171.9	-99.1	0	0	0	112.8	E44 T48 I120 D121 W123 L124 L129 C130 S131	E44-H126 IonicContact OE2-NE2 3.84Å; T48-H126 HydrophobicContact CG2-CB 4.12Å; I120-H126 HydrophobicContact CG1-CB 4.15Å; I120-H126 WeakPolarHBondContact CG1-CD2 3.2Å; I120-H126 WeakPolarHBondContact CG2-CE1 3.39Å; I120-H126 WeakPolarHBondContact CG2-ND1 3.42Å; D121-H126 IonicContact OD1-CE1 2.9Å; D121-H126 IonicContact OD1-CG 3.67Å; D121-H126 IonicContact OD1-ND1 3.43Å; D121-H126 PolarHBondContact OD1-ND1 2.84Å; W123-H126 VanDerWaalsContact O-CB 3.28Å; W123-H126 WeakPolarHBondContact O-CB 3.3Å; W123-H126 PolarHBondContact O-N 2.77Å; L124-H126 VanDerWaalsContact C-N 3.34Å; H126-L129 PolarHBondContact O-N 3.3Å; H126-C130 CarbonylContact O-C 3.24Å; H126-C130 WeakPolarHBondContact O-CA 3.3Å; H126-C130 WeakPolarHBondContact O-CB 3.32Å; H126-C130 PolarHBondContact O-N 3.17Å; H126-S131 PolarHBondContact O-N 3.35Å; H126-S131 PolarHBondContact O-OG 3.18Å
127	K	97.4	Very high	97	Very high	146 Å²	146	76.8 Å²	76.8	64%	0.635	39%	0.392	S	S	*	.	H	α-helix	trans	-57.4	-46.8	-176.1	-171.7	171.9	-170.4	162.4	0	114.7	S131	K127-S131 WeakPolarHBondContact CA-OG 3.4Å; K127-S131 PolarHBondContact O-OG 3.17Å
128	P	97.6	Very high	96.8	Very high	95 Å²	95	74 Å²	74	62%	0.617	39%	0.387	S	S	*	.	H	α-helix	trans	-77.8	-24.8	-178.1	26.8	-34	0	0	0	114.8	L124 A125	L124-P128 VanDerWaalsContact O-CD 3.23Å; L124-P128 WeakPolarHBondContact O-CD 3.47Å; L124-P128 WeakPolarHBondContact O-CG 3.36Å; A125-P128 WeakPolarHBondContact O-CD 3.24Å
129	L	98	Very high	96.4	Very high	90 Å²	90	70.7 Å²	70.7	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-123.3	-22.9	-166.8	-57.4	173.3	0	0	0	114.5	H51 A125 H126	H51-L129 HydrophobicContact CB-CD1 3.97Å; A125-L129 HydrophobicContact CB-CD1 4.43Å; A125-L129 WeakPolarHBondContact O-CB 3.23Å; A125-L129 PolarHBondContact O-N 2.77Å; A125-L129 VanDerWaalsContact O-N 3.16Å; H126-L129 PolarHBondContact O-N 3.3Å
130	C	98.1	Very high	95.7	Very high	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.398	C	S	.	.	S	Bend	trans	-129.7	12.5	-162.6	-56.5	0	0	0	0	114.4	C47 T48 H126 L134	C47-C130 HydrophobicContact CB-CB 3.6Å; C47-C130 WeakPolarHBondContact CB-SG 3.37Å; C47-C130 WeakPolarHBondContact SG-CA 2.99Å; C47-C130 WeakPolarHBondContact SG-CB 3.43Å; C47-C130 CovalentContact SG-SG 2.04Å; C47-C130 PolarHBondContact SG-SG 3.32Å; T48-C130 PolarHBondContact N-SG 3.37Å; H126-C130 CarbonylContact O-C 3.24Å; H126-C130 WeakPolarHBondContact O-CA 3.3Å; H126-C130 WeakPolarHBondContact O-CB 3.32Å; H126-C130 PolarHBondContact O-N 3.17Å; C130-L134 HydrophobicContact CB-CD2 4.45Å
131	S	94.9	Very high	94.2	Very high	62 Å²	62	90 Å²	90	43%	0.434	45%	0.45	S	S	.	.	S	Bend	trans	-87.2	-15.6	177.2	-56.1	0	0	0	0	113.8	H126 K127	H126-S131 PolarHBondContact O-N 3.35Å; H126-S131 PolarHBondContact O-OG 3.18Å; K127-S131 WeakPolarHBondContact CA-OG 3.4Å; K127-S131 PolarHBondContact O-OG 3.17Å
132	E	94.8	Very high	94	Very high	141 Å²	141	90.9 Å²	90.9	66%	0.659	45%	0.453	S	S	*	.	S	Bend	trans	-153.7	172.3	-177.1	57.5	174.5	-154.3	0	0	111.5	L134	E132-L134 PolarHBondContact O-N 3.18Å
133	N	95.1	Very high	93.8	Very high	131 Å²	131	92.2 Å²	92.2	70%	0.701	46%	0.461	S	S	*	.			trans	55.9	45.4	175.5	-58.5	-52.2	0	0	0	114.3	E135	N133-E135 PolarHBondContact O-N 3.22Å
134	L	96.2	Very high	93.5	Very high	28 Å²	28	96.9 Å²	96.9	15%	0.147	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-90.5	8.1	-169.4	-62	172.9	0	0	0	115.7	E44 C47 C130 E132 Q136 W137	E44-L134 HydrophobicContact CB-CD1 4.27Å; E44-L134 HydrophobicContact CG-CD1 3.26Å; C47-L134 HydrophobicContact CB-CD2 4.03Å; C130-L134 HydrophobicContact CB-CD2 4.45Å; E132-L134 PolarHBondContact O-N 3.18Å; L134-Q136 PolarHBondContact O-N 3.25Å; L134-Q136 VanDerWaalsContact O-N 3.1Å; L134-W137 WeakPolarHBondContact O-CB 3.2Å; L134-W137 PolarHBondContact O-N 3.14Å
135	E	95.1	Very high	93.2	Very high	171 Å²	171	93.8 Å²	93.8	80%	0.799	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-55.6	-34.2	-175.3	-63.3	-173.1	172	0	0	113	N133 W137 V138	N133-E135 PolarHBondContact O-N 3.22Å; E135-W137 PolarHBondContact O-N 3.15Å; E135-V138 PolarHBondContact O-N 3.12Å
136	Q	94.2	Very high	92.9	Very high	127 Å²	127	98.8 Å²	98.8	59%	0.593	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21.1	178.5	68.3	178.9	-44.2	0	0	113.3	R24 L134	R24-Q136 PolarHBondContact NH1-O 2.89Å; L134-Q136 PolarHBondContact O-N 3.25Å; L134-Q136 VanDerWaalsContact O-N 3.1Å
137	W	95.2	Very high	92.6	Very high	12 Å²	12	104.7 Å²	104.7	5%	0.045	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-92.9	-6.7	-175.3	-57.7	110.5	0	0	0	113.7	I46 C47 F50 H51 L134 E135 C139	I46-W137 HydrophobicContact CG2-CE3 3.89Å; C47-W137 HydrophobicContact CB-CD2 3.71Å; C47-W137 HydrophobicContact CB-CE3 4.41Å; C47-W137 HydrophobicContact CB-CG 3.76Å; C47-W137 HydrophobicContact CB-CZ2 4.18Å; C47-W137 VanDerWaalsContact SG-CE2 3.59Å; C47-W137 PolarHBondContact SG-NE1 3.43Å; F50-W137 HydrophobicContact CB-CH2 3.75Å; F50-W137 HydrophobicContact CB-CZ3 3.63Å; F50-W137 AromaticContact CD1-CH2 3.36Å; F50-W137 HydrophobicContact CD1-CH2 3.36Å; F50-W137 HydrophobicContact CD1-CZ2 4.34Å; F50-W137 HydrophobicContact CD1-CZ3 4.01Å; F50-W137 HydrophobicContact CD2-CH2 4.25Å; F50-W137 HydrophobicContact CD2-CZ3 4.1Å; F50-W137 AromaticContact CE1-CH2 3.97Å; F50-W137 HydrophobicContact CE1-CH2 3.97Å; F50-W137 AromaticContact CG-CH2 3.51Å; F50-W137 HydrophobicContact CG-CH2 3.51Å; F50-W137 AromaticContact CG-CZ3 3.64Å; F50-W137 HydrophobicContact CG-CZ3 3.64Å; H51-W137 AromaticContact NE2-CZ2 3.78Å; L134-W137 WeakPolarHBondContact O-CB 3.2Å; L134-W137 PolarHBondContact O-N 3.14Å; E135-W137 PolarHBondContact O-N 3.15Å; W137-C139 PolarHBondContact O-N 3.44Å
138	V	93.8	Very high	92.2	Very high	72 Å²	72	101.7 Å²	101.7	44%	0.436	51%	0.511	S	S	.	.			trans	-70.6	122.7	175.7	179.9	0	0	0	0	110	S43 E135 K140	S43-V138 WeakPolarHBondContact OG-CG2 3.28Å; E135-V138 PolarHBondContact O-N 3.12Å; V138-K140 PolarHBondContact O-N 2.92Å
139	C	89.7	Confident	91.8	Very high	41 Å²	41	102.2 Å²	102.2	28%	0.277	50%	0.503	S	S	.	.			trans	-72.8	107.2	168	180	0	0	0	0	109.8	C25 W137	C25-C139 VanDerWaalsContact CA-SG 3.54Å; C25-C139 HydrophobicContact CB-CB 4.08Å; C25-C139 WeakPolarHBondContact CB-SG 3.3Å; C25-C139 WeakPolarHBondContact SG-CB 3.42Å; C25-C139 CovalentContact SG-SG 2.04Å; C25-C139 PolarHBondContact SG-SG 3.18Å; W137-C139 PolarHBondContact O-N 3.44Å
140	K	82.8	Confident	91.3	Very high	179 Å²	179	103.3 Å²	103.3	78%	0.778	51%	0.505	S	S	*	.			trans	-80.8	122.9	173.6	-63.1	-178.8	-178	178.8	0	108.8	V138	V138-K140 PolarHBondContact O-N 2.92Å
141	K	65.7	Low	90.7	Very high	275 Å²	275	112.6 Å²	112.6	100%	1.196	55%	0.551	S	S	*	*			trans	-77.2	0	170.8	-68.9	-175.1	179.4	177.6	0	111.2

Retrieved 141 of 141 residues in 72.4 ms (Link to these results)

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