A0A077S2X9_DASNO Loading...

Lactose synthase B protein

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 A0A077S2X9, Species DASNO (Dasypus novemcinctus, Nine-banded armadillo), Gene LYZG, Length 142 aa.

						>A0A077S2X9_DASNO|A0A077S2X9|LYZG
MMSYLPLLLVGILFPVIQASQLTKCELPQKLKDIDGYRNVTLPEWICTTFHISGFDTQTIVNNNDSIEYGLFQISNKCWCRDDQNPLSKNICNTTCNKFLDDDLTDDIMCVKKILDIEGIGYWSAHKALCSDKLEQWLCKTS
					

Structure Viewer

Loading PAE data...

(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	48.6	Very low	59.7	Low	243 Å²	243	149.4 Å²	149.4	100%	1.197	82%	0.817	S	S	*	*				0	102.1	0	-163.1	154.6	71	0	0	106.4	S3	M1-S3 PolarHBondContact O-N 3.48Å
2	M	50.6	Low	60.4	Low	159 Å²	159	147.5 Å²	147.5	78%	0.783	80%	0.803	S	S	*	*			trans	-80.7	115.8	-175.3	-69.8	-60.5	177.9	0	0	108.9	Y4	M2-Y4 HydrophobicContact CB-CE2 3.84Å
3	S	56.7	Low	61	Low	115 Å²	115	149 Å²	149	80%	0.804	81%	0.808	S	S	*	*			trans	-91.9	113.2	176.9	-169.3	0	0	0	0	108.6	M1	M1-S3 PolarHBondContact O-N 3.48Å
4	Y	59.1	Low	61.3	Low	200 Å²	200	150.4 Å²	150.4	78%	0.784	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-94.1	117.1	176.1	-62.7	-86	0	0	0	108.6	M2	M2-Y4 HydrophobicContact CB-CE2 3.84Å
5	L	59.3	Low	61.3	Low	155 Å²	155	147.3 Å²	147.3	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-84.9	118.8	170.5	-134.3	84.3	0	0	0	108.3	L7	L5-L7 PolarHBondContact O-N 3.29Å
6	P	61.6	Low	61.2	Low	110 Å²	110	146.6 Å²	146.6	71%	0.714	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73.6	117.4	175.8	27.8	-29.9	0	0	0	109.5	L8	P6-L8 PolarHBondContact O-N 3.16Å; P6-L8 VanDerWaalsContact O-N 3.09Å
7	L	60.6	Low	61.3	Low	163 Å²	163	146.8 Å²	146.8	85%	0.853	80%	0.795	S	S	*	*			trans	-67.9	102.3	167.4	-112.4	106	0	0	0	108.2	L5 L9	L5-L7 PolarHBondContact O-N 3.29Å; L7-L9 PolarHBondContact O-N 3.09Å; L7-L9 VanDerWaalsContact O-N 3.16Å
8	L	62.5	Low	61.3	Low	153 Å²	153	146.2 Å²	146.2	80%	0.801	79%	0.786	S	S	*	*			trans	-72.6	100.8	167.5	-89.6	158.9	0	0	0	108.6	P6 V10	P6-L8 PolarHBondContact O-N 3.16Å; P6-L8 VanDerWaalsContact O-N 3.09Å; L8-V10 PolarHBondContact O-N 3.32Å; L8-V10 VanDerWaalsContact O-N 3.13Å
9	L	62.7	Low	61.8	Low	157 Å²	157	142.1 Å²	142.1	82%	0.822	78%	0.775	S	S	*	*			trans	-71.2	98.3	166.3	-112.1	114.6	0	0	0	108.4	L7 G11	L7-L9 PolarHBondContact O-N 3.09Å; L7-L9 VanDerWaalsContact O-N 3.16Å; L9-G11 PolarHBondContact O-N 3.21Å
10	V	66.6	Low	62.8	Low	124 Å²	124	136.4 Å²	136.4	75%	0.752	75%	0.745	S	S	*	*			trans	-77.8	98.7	167.6	178.6	0	0	0	0	107.2	L8 I12	L8-V10 PolarHBondContact O-N 3.32Å; L8-V10 VanDerWaalsContact O-N 3.13Å; V10-I12 PolarHBondContact O-N 3.13Å
11	G	68.4	Low	64.2	Low	64 Å²	64	134.8 Å²	134.8	66%	0.66	73%	0.733	S	S	*	*			trans	-71.3	112.4	171.9	0	0	0	0	0	110.1	L9 L13	L9-G11 PolarHBondContact O-N 3.21Å; G11-L13 PolarHBondContact O-N 3.17Å
12	I	68.6	Low	66.3	Low	127 Å²	127	123.7 Å²	123.7	65%	0.651	68%	0.678	S	S	*	*			trans	-73.5	104.7	172.8	-59.7	173.1	0	0	0	107.4	V10 F14	V10-I12 PolarHBondContact O-N 3.13Å; I12-F14 HydrophobicContact CB-CE2 4.24Å; I12-F14 HydrophobicContact CG2-CD1 4.47Å; I12-F14 HydrophobicContact CG2-CD2 3.99Å; I12-F14 HydrophobicContact CG2-CE1 4.19Å; I12-F14 HydrophobicContact CG2-CE2 3.68Å; I12-F14 HydrophobicContact CG2-CG 4.37Å; I12-F14 HydrophobicContact CG2-CZ 3.8Å; I12-F14 PolarHBondContact O-N 3.27Å
13	L	67.5	Low	68.3	Low	167 Å²	167	119.4 Å²	119.4	87%	0.874	66%	0.661	S	S	*	*			trans	-76.2	101.3	166	-77.7	160.4	0	0	0	107.4	G11 P15	G11-L13 PolarHBondContact O-N 3.17Å; L13-P15 WeakPolarHBondContact O-CD 2.98Å
14	F	65.2	Low	70.1	Confident	169 Å²	169	117.2 Å²	117.2	74%	0.741	64%	0.637	S	S	*	*			trans	-70	120	164.5	-68.7	-84.8	0	0	0	107.4	I12 V16	I12-F14 HydrophobicContact CB-CE2 4.24Å; I12-F14 HydrophobicContact CG2-CD1 4.47Å; I12-F14 HydrophobicContact CG2-CD2 3.99Å; I12-F14 HydrophobicContact CG2-CE1 4.19Å; I12-F14 HydrophobicContact CG2-CE2 3.68Å; I12-F14 HydrophobicContact CG2-CG 4.37Å; I12-F14 HydrophobicContact CG2-CZ 3.8Å; I12-F14 PolarHBondContact O-N 3.27Å; F14-V16 PolarHBondContact O-N 2.04Å
15	P	61.4	Low	71.7	Confident	104 Å²	104	110.3 Å²	110.3	68%	0.675	62%	0.618	S	S	*	*			trans	-59.8	130.6	167.9	25.6	-30.7	0	0	0	107.4	L13 I17	L13-P15 WeakPolarHBondContact O-CD 2.98Å; P15-I17 PolarHBondContact O-N 3.44Å
16	V	60.5	Low	73.3	Confident	136 Å²	136	107.2 Å²	107.2	82%	0.824	60%	0.599	S	S	*	*			trans	-65.2	104.9	169.2	179.6	0	0	0	0	106.2	F14 Q18	F14-V16 PolarHBondContact O-N 2.04Å; V16-Q18 PolarHBondContact O-N 3.25Å
17	I	61.6	Low	74.9	Confident	150 Å²	150	102 Å²	102	77%	0.769	57%	0.565	S	S	*	*			trans	-78.4	102.5	170.3	-58.2	172.3	0	0	0	105.4	P15	P15-I17 PolarHBondContact O-N 3.44Å
18	Q	62.5	Low	76.5	Confident	136 Å²	136	95.4 Å²	95.4	64%	0.636	53%	0.532	S	S	*	.			trans	-68.8	127.3	167.2	-110	172.5	-72.6	0	0	108.4	V16 D102	V16-Q18 PolarHBondContact O-N 3.25Å; Q18-D102 WeakPolarHBondContact CB-OD2 3.41Å; Q18-D102 VanDerWaalsContact CG-OD2 3.31Å; Q18-D102 WeakPolarHBondContact CG-OD2 3.33Å; Q18-D102 PolarHBondContact NE2-OD2 3.28Å
19	A	70.6	Confident	78	Confident	68 Å²	68	96 Å²	96	56%	0.562	53%	0.531	S	S	*	.			trans	-86.6	116.5	175.7	0	0	0	0	0	108.7	Q21	A19-Q21 PolarHBondContact O-N 2.97Å
20	S	81.8	Confident	79.6	Confident	27 Å²	27	92.5 Å²	92.5	19%	0.189	51%	0.509	C	S	.	.			trans	-70.8	-21.7	174.5	70.2	0	0	0	0	112.8	L22 D56 T57 Q58	S20-L22 PolarHBondContact O-N 3.28Å; S20-D56 WeakPolarHBondContact CB-OD1 3.38Å; S20-D56 WeakPolarHBondContact O-CA 3.5Å; S20-D56 PolarHBondContact OG-OD1 3.26Å; S20-T57 WeakPolarHBondContact CA-OG1 3.46Å; S20-T57 PolarHBondContact O-N 3.12Å; S20-T57 PolarHBondContact O-OG1 2.79Å; S20-T57 VanDerWaalsContact O-OG1 3.12Å; S20-Q58 VanDerWaalsContact CB-NE2 3.28Å
21	Q	91.6	Very high	81	Confident	103 Å²	103	86.6 Å²	86.6	48%	0.481	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-84.3	105.2	-179	-175.2	68.4	50.9	0	0	110.4	A19 G54	A19-Q21 PolarHBondContact O-N 2.97Å; Q21-G54 PolarHBondContact NE2-O 3.26Å
22	L	92.7	Very high	82.3	Confident	11 Å²	11	90.9 Å²	90.9	6%	0.058	47%	0.474	C	S	.	.			trans	-79.8	157.2	173.6	-58.8	173.4	0	0	0	111.2	S20 L27 K30 F55 T57 L71 L104	S20-L22 PolarHBondContact O-N 3.28Å; L22-L27 HydrophobicContact CB-CD2 4.4Å; L22-L27 HydrophobicContact CB-CG 4.22Å; L22-L27 HydrophobicContact CD1-CD2 3.63Å; L22-L27 HydrophobicContact CD1-CG 4.32Å; L22-K30 HydrophobicContact CD1-CD 4.01Å; L22-K30 HydrophobicContact CD2-CD 4Å; L22-F55 HydrophobicContact CB-CB 4.19Å; L22-F55 WeakPolarHBondContact CB-O 3.38Å; L22-F55 PolarHBondContact N-O 3.43Å; L22-F55 WeakPolarHBondContact O-CB 3.34Å; L22-T57 HydrophobicContact CD1-CG2 3.81Å; L22-T57 HydrophobicContact CG-CG2 4.09Å; L22-L71 HydrophobicContact CD1-CD2 4.15Å; L22-L104 HydrophobicContact CD1-CD1 4.14Å
23	T	92.8	Very high	83.6	Confident	69 Å²	69	90.5 Å²	90.5	42%	0.423	47%	0.473	S	S	.	.			trans	-100.3	158.3	172.5	69.2	0	0	0	0	112	C25 E26 L27	T23-C25 PolarHBondContact O-N 2.81Å; T23-E26 VanDerWaalsContact CB-OE2 3.28Å; T23-E26 WeakPolarHBondContact CB-OE2 3.5Å; T23-E26 VanDerWaalsContact CG2-OE2 3.29Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.13Å; T23-E26 PolarHBondContact N-OE2 3.13Å; T23-E26 PolarHBondContact O-N 3.12Å; T23-E26 VanDerWaalsContact O-N 3.1Å; T23-E26 VanDerWaalsContact OG1-CD 3.22Å; T23-E26 VanDerWaalsContact OG1-CG 3.27Å; T23-E26 WeakPolarHBondContact OG1-CG 3.34Å; T23-E26 PolarHBondContact OG1-N 3.36Å; T23-E26 PolarHBondContact OG1-OE2 3.22Å; T23-L27 PolarHBondContact O-N 3.26Å
24	K	93.9	Very high	85	Confident	68 Å²	68	82.6 Å²	82.6	30%	0.296	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-28.3	174.3	-162.8	-176.4	75.5	167.7	0	113.6	P28 I46 F55 Q136 W137 L138	K24-P28 WeakPolarHBondContact O-CD 3.08Å; K24-I46 HydrophobicContact CD-CG2 4.47Å; K24-I46 HydrophobicContact CG-CG2 3.6Å; K24-F55 HydrophobicContact CB-CE2 4.04Å; K24-F55 HydrophobicContact CB-CZ 4.36Å; K24-F55 HydrophobicContact CG-CE2 4.5Å; K24-F55 HydrophobicContact CG-CZ 4.36Å; K24-Q136 PolarHBondContact NZ-O 3.13Å; K24-W137 HydrophobicContact CD-CE3 4.4Å; K24-L138 WeakPolarHBondContact CE-O 3.34Å; K24-L138 PolarHBondContact NZ-O 2.89Å
25	C	93.8	Very high	86.5	Confident	56 Å²	56	78.6 Å²	78.6	38%	0.378	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-16.2	-176.2	-78.1	0	0	0	0	114.3	T23 C139	T23-C25 PolarHBondContact O-N 2.81Å; C25-C139 HydrophobicContact CB-CB 3.97Å; C25-C139 WeakPolarHBondContact CB-SG 3.46Å; C25-C139 WeakPolarHBondContact SG-CB 3.32Å; C25-C139 CovalentContact SG-SG 2.04Å; C25-C139 PolarHBondContact SG-SG 2.81Å
26	E	93.4	Very high	88.2	Confident	89 Å²	89	75.6 Å²	75.6	42%	0.416	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-35.9	172.7	-71.5	161.7	140.5	0	0	111.7	T23 Q29 K30	T23-E26 VanDerWaalsContact CB-OE2 3.28Å; T23-E26 WeakPolarHBondContact CB-OE2 3.5Å; T23-E26 VanDerWaalsContact CG2-OE2 3.29Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.13Å; T23-E26 PolarHBondContact N-OE2 3.13Å; T23-E26 PolarHBondContact O-N 3.12Å; T23-E26 VanDerWaalsContact O-N 3.1Å; T23-E26 VanDerWaalsContact OG1-CD 3.22Å; T23-E26 VanDerWaalsContact OG1-CG 3.27Å; T23-E26 WeakPolarHBondContact OG1-CG 3.34Å; T23-E26 PolarHBondContact OG1-N 3.36Å; T23-E26 PolarHBondContact OG1-OE2 3.22Å; E26-Q29 PolarHBondContact O-N 3.04Å; E26-K30 PolarHBondContact O-N 3.41Å
27	L	93.9	Very high	90	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-55.7	-43.1	-179.2	-79.9	168.2	0	0	0	114.8	L22 T23 Q29 K30 L31 I46 F55 L71	L22-L27 HydrophobicContact CB-CD2 4.4Å; L22-L27 HydrophobicContact CB-CG 4.22Å; L22-L27 HydrophobicContact CD1-CD2 3.63Å; L22-L27 HydrophobicContact CD1-CG 4.32Å; T23-L27 PolarHBondContact O-N 3.26Å; L27-Q29 PolarHBondContact O-N 3.42Å; L27-Q29 VanDerWaalsContact O-N 3.13Å; L27-K30 PolarHBondContact O-N 3.04Å; L27-K30 VanDerWaalsContact O-N 3.12Å; L27-L31 HydrophobicContact CB-CD1 4.46Å; L27-L31 HydrophobicContact CD2-CD1 3.97Å; L27-L31 HydrophobicContact CD2-CG 4.06Å; L27-L31 WeakPolarHBondContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 2.77Å; L27-I46 HydrophobicContact CB-CG1 4.28Å; L27-F55 HydrophobicContact CD1-CB 4.16Å; L27-F55 HydrophobicContact CD1-CD1 3.11Å; L27-F55 HydrophobicContact CD1-CD2 4.31Å; L27-F55 HydrophobicContact CD1-CE1 3.26Å; L27-F55 HydrophobicContact CD1-CE2 4.46Å; L27-F55 HydrophobicContact CD1-CG 3.65Å; L27-F55 HydrophobicContact CD1-CZ 3.97Å; L27-L71 HydrophobicContact CD2-CD1 4.28Å; L27-L71 HydrophobicContact CD2-CD2 3.7Å
28	P	94.4	Very high	91.7	Very high	26 Å²	26	71.6 Å²	71.6	17%	0.169	37%	0.366	C	S	.	.	H	α-helix	trans	-51.3	-39.6	177.9	-26.8	27.5	0	0	0	114.2	K24 K32 L42 I46 C139	K24-P28 WeakPolarHBondContact O-CD 3.08Å; P28-K32 PolarHBondContact O-N 3.34Å; P28-L42 HydrophobicContact CB-CD2 3.67Å; P28-L42 HydrophobicContact CB-CG 4.39Å; P28-I46 HydrophobicContact CG-CD1 3.72Å; P28-C139 HydrophobicContact CG-CB 4.36Å
29	Q	94.3	Very high	93.4	Very high	165 Å²	165	72.2 Å²	72.2	77%	0.771	37%	0.374	S	S	*	.	H	α-helix	trans	-74.1	-42.9	-179.4	-66.3	-175.1	-10	0	0	111.5	E26 L27 L31	E26-Q29 PolarHBondContact O-N 3.04Å; L27-Q29 PolarHBondContact O-N 3.42Å; L27-Q29 VanDerWaalsContact O-N 3.13Å; Q29-L31 VanDerWaalsContact C-N 3.34Å
30	K	95.6	Very high	94.7	Very high	84 Å²	84	69.1 Å²	69.1	37%	0.365	35%	0.348	S	S	.	.	H	α-helix	trans	-68.4	-32	178.5	-74.1	178.8	167.1	-86.4	0	113	L22 E26 L27 D102 L104 I108	L22-K30 HydrophobicContact CD1-CD 4.01Å; L22-K30 HydrophobicContact CD2-CD 4Å; E26-K30 PolarHBondContact O-N 3.41Å; L27-K30 PolarHBondContact O-N 3.04Å; L27-K30 VanDerWaalsContact O-N 3.12Å; K30-D102 PolarHBondContact NZ-O 2.7Å; K30-L104 HydrophobicContact CB-CD1 4.03Å; K30-L104 HydrophobicContact CD-CD1 4.04Å; K30-I108 WeakPolarHBondContact O-CD1 3.33Å
31	L	96.5	Very high	95.4	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	9.1	-175.5	-57.9	-166.7	0	0	0	113.7	L27 Q29 D33 I34 D35 L42 W45 L71 F72 L104 I108	L27-L31 HydrophobicContact CB-CD1 4.46Å; L27-L31 HydrophobicContact CD2-CD1 3.97Å; L27-L31 HydrophobicContact CD2-CG 4.06Å; L27-L31 WeakPolarHBondContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 2.77Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; L31-D33 PolarHBondContact O-N 2.76Å; L31-D33 VanDerWaalsContact O-N 3.12Å; L31-I34 HydrophobicContact CB-CD1 4.22Å; L31-I34 HydrophobicContact CB-CG1 4.06Å; L31-I34 HydrophobicContact CD1-CD1 4.45Å; L31-I34 HydrophobicContact CD2-CD1 4.22Å; L31-I34 WeakPolarHBondContact O-CG1 3.31Å; L31-I34 PolarHBondContact O-N 3.44Å; L31-I34 VanDerWaalsContact O-N 3.09Å; L31-D35 PolarHBondContact O-N 3.24Å; L31-L42 HydrophobicContact CB-CD1 3.61Å; L31-W45 HydrophobicContact CD1-CB 4.02Å; L31-L71 HydrophobicContact CD2-CD2 4.45Å; L31-F72 HydrophobicContact CD1-CZ 4.39Å; L31-F72 HydrophobicContact CD2-CE1 4.47Å; L31-F72 HydrophobicContact CD2-CE2 4.33Å; L31-F72 HydrophobicContact CD2-CZ 3.58Å; L31-L104 HydrophobicContact CD2-CD1 3.98Å; L31-I108 HydrophobicContact CD2-CD1 4.12Å; L31-I108 HydrophobicContact CD2-CG1 4.42Å
32	K	95.2	Very high	95.7	Very high	153 Å²	153	66.8 Å²	66.8	67%	0.665	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-55.4	-33.8	-177.6	-172.4	179.9	178.2	-175.5	0	113.1	P28 I34 D35	P28-K32 PolarHBondContact O-N 3.34Å; K32-I34 PolarHBondContact O-N 3.1Å; K32-D35 WeakPolarHBondContact O-CB 3.29Å; K32-D35 PolarHBondContact O-N 3Å
33	D	95.4	Very high	95.9	Very high	120 Å²	120	67.3 Å²	67.3	64%	0.642	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-73.2	-9.5	-176.8	-73.1	-3.8	0	0	0	114.5	L31 K112	L31-D33 PolarHBondContact O-N 2.76Å; L31-D33 VanDerWaalsContact O-N 3.12Å; D33-K112 WeakPolarHBondContact O-CE 3.43Å; D33-K112 PolarHBondContact O-NZ 3.4Å
34	I	97.1	Very high	96.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-114.3	2.4	175.1	56.9	171.9	0	0	0	112.8	L31 K32 G36 Y37 W45 F72 I108 V111 K112	L31-I34 HydrophobicContact CB-CD1 4.22Å; L31-I34 HydrophobicContact CB-CG1 4.06Å; L31-I34 HydrophobicContact CD1-CD1 4.45Å; L31-I34 HydrophobicContact CD2-CD1 4.22Å; L31-I34 WeakPolarHBondContact O-CG1 3.31Å; L31-I34 PolarHBondContact O-N 3.44Å; L31-I34 VanDerWaalsContact O-N 3.09Å; K32-I34 PolarHBondContact O-N 3.1Å; I34-G36 PolarHBondContact O-N 3.1Å; I34-Y37 WeakPolarHBondContact O-CB 3.27Å; I34-Y37 PolarHBondContact O-N 3.09Å; I34-Y37 VanDerWaalsContact O-N 3.1Å; I34-W45 HydrophobicContact CD1-CD2 3.84Å; I34-W45 HydrophobicContact CD1-CE3 4.46Å; I34-W45 HydrophobicContact CD1-CG 3.96Å; I34-F72 HydrophobicContact CD1-CE1 4.02Å; I34-F72 HydrophobicContact CD1-CZ 4.02Å; I34-I108 HydrophobicContact CG2-CB 4.45Å; I34-I108 HydrophobicContact CG2-CG1 4.44Å; I34-I108 HydrophobicContact CG2-CG2 3.53Å; I34-V111 HydrophobicContact CD1-CG1 4.45Å; I34-K112 HydrophobicContact CG2-CD 4.45Å; I34-K112 HydrophobicContact CG2-CG 4.08Å
35	D	97.3	Very high	96.3	Very high	86 Å²	86	62 Å²	62	46%	0.46	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	121.3	174.8	-172.4	21.1	0	0	0	110.8	L31 K32 Y37 L42	L31-D35 PolarHBondContact O-N 3.24Å; K32-D35 WeakPolarHBondContact O-CB 3.29Å; K32-D35 PolarHBondContact O-N 3Å; D35-Y37 PolarHBondContact O-N 3.26Å; D35-L42 HydrophobicContact CB-CB 4.23Å; D35-L42 HydrophobicContact CB-CD1 4.36Å; D35-L42 PolarHBondContact OD1-N 3.28Å
36	G	97.6	Very high	96.5	Very high	40 Å²	40	59.6 Å²	59.6	41%	0.412	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-1.5	-176.6	0	0	0	0	0	114.4	I34 R38 N39 V40	I34-G36 PolarHBondContact O-N 3.1Å; G36-R38 PolarHBondContact O-N 3.46Å; G36-N39 PolarHBondContact O-N 2.61Å; G36-N39 VanDerWaalsContact O-N 3.1Å; G36-V40 VanDerWaalsContact CA-O 3.3Å; G36-V40 WeakPolarHBondContact CA-O 3.48Å; G36-V40 PolarHBondContact N-O 2.87Å
37	Y	98.4	Very high	96.8	Very high	68 Å²	68	55.3 Å²	55.3	27%	0.267	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-63.5	123.5	177.6	-167.7	-94.7	0	0	0	109.5	I34 D35 N39 V40 K112 L115 D116	I34-Y37 WeakPolarHBondContact O-CB 3.27Å; I34-Y37 PolarHBondContact O-N 3.09Å; I34-Y37 VanDerWaalsContact O-N 3.1Å; D35-Y37 PolarHBondContact O-N 3.26Å; Y37-N39 PolarHBondContact O-N 3.15Å; Y37-V40 PolarHBondContact O-N 2.89Å; Y37-V40 VanDerWaalsContact O-N 3.15Å; Y37-K112 HydrophobicContact CD1-CG 4.05Å; Y37-K112 HydrophobicContact CD2-CD 4.44Å; Y37-K112 HydrophobicContact CD2-CG 4.41Å; Y37-K112 HydrophobicContact CE1-CB 3.91Å; Y37-K112 HydrophobicContact CE1-CG 3.87Å; Y37-K112 HydrophobicContact CE2-CD 4.23Å; Y37-K112 HydrophobicContact CE2-CG 4.25Å; Y37-K112 HydrophobicContact CG-CG 4.31Å; Y37-L115 HydrophobicContact CD1-CB 4.16Å; Y37-L115 HydrophobicContact CD1-CD1 3.63Å; Y37-L115 HydrophobicContact CE1-CB 4.09Å; Y37-L115 HydrophobicContact CE1-CD1 4.27Å; Y37-D116 VanDerWaalsContact OH-CG 3.24Å; Y37-D116 PolarHBondContact OH-OD1 2.86Å; Y37-D116 VanDerWaalsContact OH-OD1 3.09Å; Y37-D116 PolarHBondContact OH-OD2 2.88Å
38	R	97.8	Very high	97	Very high	134 Å²	134	55.3 Å²	55.3	51%	0.506	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	52.9	36.4	-175.6	-59.6	-72.9	-75.8	-125.9	-2.6	113	G36 V40 L115 D116	G36-R38 PolarHBondContact O-N 3.46Å; R38-V40 VanDerWaalsContact C-N 3.29Å; R38-V40 PolarHBondContact O-N 2.7Å; R38-L115 HydrophobicContact CB-CB 4.37Å; R38-L115 HydrophobicContact CG-CB 4.08Å; R38-L115 PolarHBondContact NH2-O 3.22Å; R38-D116 IonicContact CZ-OD1 3.49Å; R38-D116 IonicContact NE-OD1 3.8Å; R38-D116 IonicContact NH1-OD1 2.79Å; R38-D116 PolarHBondContact NH1-OD1 3.39Å; R38-D116 PolarHBondContact NH2-O 3.48Å
39	N	96.9	Very high	97.1	Very high	150 Å²	150	54.1 Å²	54.1	80%	0.802	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	63.7	26.2	179.5	-53.2	-42.3	0	0	0	114.6	G36 Y37	G36-N39 PolarHBondContact O-N 2.61Å; G36-N39 VanDerWaalsContact O-N 3.1Å; Y37-N39 PolarHBondContact O-N 3.15Å
40	V	97.8	Very high	97.3	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.252	C	S	.	.			trans	-104.8	118.3	172.7	-171	0	0	0	0	108.9	G36 Y37 R38 E44 W45 L115 I120	G36-V40 VanDerWaalsContact CA-O 3.3Å; G36-V40 WeakPolarHBondContact CA-O 3.48Å; G36-V40 PolarHBondContact N-O 2.87Å; Y37-V40 PolarHBondContact O-N 2.89Å; Y37-V40 VanDerWaalsContact O-N 3.15Å; R38-V40 VanDerWaalsContact C-N 3.29Å; R38-V40 PolarHBondContact O-N 2.7Å; V40-E44 HydrophobicContact CG1-CB 3.95Å; V40-W45 HydrophobicContact CB-CZ2 4.33Å; V40-W45 HydrophobicContact CG1-CD2 4.24Å; V40-W45 HydrophobicContact CG1-CG 4.32Å; V40-W45 HydrophobicContact CG1-CZ2 3.97Å; V40-L115 HydrophobicContact CG2-CD2 4.18Å; V40-I120 HydrophobicContact CB-CD1 4.45Å; V40-I120 HydrophobicContact CG1-CD1 3.78Å; V40-I120 HydrophobicContact CG1-CG1 4.2Å; V40-I120 HydrophobicContact CG2-CB 3.78Å; V40-I120 HydrophobicContact CG2-CD1 3.85Å; V40-I120 HydrophobicContact CG2-CG1 3.77Å; V40-I120 HydrophobicContact CG2-CG2 4.49Å
41	T	97.4	Very high	97.4	Very high	53 Å²	53	50.3 Å²	50.3	33%	0.325	25%	0.252	S	S	.	.			trans	-84.9	159.3	-175.3	64.1	0	0	0	0	112.2	E44 W45	T41-E44 WeakPolarHBondContact CB-OE2 3.3Å; T41-E44 PolarHBondContact N-OE2 2.81Å; T41-E44 WeakPolarHBondContact O-CB 3.2Å; T41-E44 PolarHBondContact O-N 2.92Å; T41-E44 VanDerWaalsContact O-N 3.09Å; T41-E44 WeakPolarHBondContact OG1-CG 3.41Å; T41-E44 PolarHBondContact OG1-OE2 3.2Å; T41-W45 PolarHBondContact O-N 3.45Å; T41-W45 VanDerWaalsContact O-N 3.08Å
42	L	96.7	Very high	97.4	Very high	27 Å²	27	52 Å²	52	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-42.3	177.9	-159	62.1	0	0	0	114.2	P28 L31 D35 E44 W45 I46	P28-L42 HydrophobicContact CB-CD2 3.67Å; P28-L42 HydrophobicContact CB-CG 4.39Å; L31-L42 HydrophobicContact CB-CD1 3.61Å; D35-L42 HydrophobicContact CB-CB 4.23Å; D35-L42 HydrophobicContact CB-CD1 4.36Å; D35-L42 PolarHBondContact OD1-N 3.28Å; L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 3.39Å; L42-W45 PolarHBondContact O-N 2.92Å; L42-I46 HydrophobicContact CG-CD1 4.27Å; L42-I46 VanDerWaalsContact O-CG1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.33Å; L42-I46 PolarHBondContact O-N 3.08Å
43	P	97.4	Very high	97.6	Very high	23 Å²	23	45.2 Å²	45.2	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-34.2	175.2	-24.2	36.9	0	0	0	113.4	I46 C47 L134 W137 L138	P43-I46 PolarHBondContact O-N 3.09Å; P43-C47 WeakPolarHBondContact O-CB 3.39Å; P43-C47 PolarHBondContact O-N 2.96Å; P43-L134 HydrophobicContact CB-CB 4.02Å; P43-W137 HydrophobicContact CB-CB 4.23Å; P43-L138 HydrophobicContact CB-CD2 4.44Å; P43-L138 HydrophobicContact CG-CD2 3.65Å
44	E	98.1	Very high	97.6	Very high	26 Å²	26	40.8 Å²	40.8	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-41	174.2	-65.4	172.8	91.6	0	0	111.2	V40 T41 L42 C47 T48 H126 L134	V40-E44 HydrophobicContact CG1-CB 3.95Å; T41-E44 WeakPolarHBondContact CB-OE2 3.3Å; T41-E44 PolarHBondContact N-OE2 2.81Å; T41-E44 WeakPolarHBondContact O-CB 3.2Å; T41-E44 PolarHBondContact O-N 2.92Å; T41-E44 VanDerWaalsContact O-N 3.09Å; T41-E44 WeakPolarHBondContact OG1-CG 3.41Å; T41-E44 PolarHBondContact OG1-OE2 3.2Å; L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 3.39Å; E44-C47 PolarHBondContact O-N 3.17Å; E44-T48 VanDerWaalsContact O-CB 3.3Å; E44-T48 WeakPolarHBondContact O-CB 3.19Å; E44-T48 PolarHBondContact O-N 3.45Å; E44-T48 PolarHBondContact O-OG1 3.16Å; E44-H126 IonicContact OE1-CD2 3.96Å; E44-H126 IonicContact OE1-CE1 3.45Å; E44-H126 PolarHBondContact OE1-CE1 2.9Å; E44-H126 IonicContact OE1-NE2 2.78Å; E44-H126 PolarHBondContact OE1-NE2 3.36Å; E44-L134 HydrophobicContact CG-CD1 3.52Å; E44-L134 HydrophobicContact CG-CD2 3.99Å; E44-L134 HydrophobicContact CG-CG 4.42Å
45	W	97.9	Very high	97.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-43.5	173.7	-80.8	116.8	0	0	0	112.8	L31 I34 V40 T41 L42 C47 T48 T49 F72 V111 L115 I120 W123	L31-W45 HydrophobicContact CD1-CB 4.02Å; I34-W45 HydrophobicContact CD1-CD2 3.84Å; I34-W45 HydrophobicContact CD1-CE3 4.46Å; I34-W45 HydrophobicContact CD1-CG 3.96Å; V40-W45 HydrophobicContact CB-CZ2 4.33Å; V40-W45 HydrophobicContact CG1-CD2 4.24Å; V40-W45 HydrophobicContact CG1-CG 4.32Å; V40-W45 HydrophobicContact CG1-CZ2 3.97Å; T41-W45 PolarHBondContact O-N 3.45Å; T41-W45 VanDerWaalsContact O-N 3.08Å; L42-W45 PolarHBondContact O-N 2.92Å; W45-C47 VanDerWaalsContact C-N 3.34Å; W45-C47 PolarHBondContact O-N 2.86Å; W45-T48 PolarHBondContact O-N 2.93Å; W45-T49 WeakPolarHBondContact O-CB 3.33Å; W45-T49 WeakPolarHBondContact O-CG2 3.42Å; W45-T49 PolarHBondContact O-N 3.21Å; W45-T49 PolarHBondContact O-OG1 3.35Å; W45-F72 HydrophobicContact CE3-CD1 4.17Å; W45-F72 AromaticContact CE3-CE1 3.84Å; W45-F72 HydrophobicContact CE3-CE1 3.84Å; W45-F72 AromaticContact CZ3-CD1 3.92Å; W45-F72 HydrophobicContact CZ3-CD1 3.92Å; W45-F72 AromaticContact CZ3-CE1 3.98Å; W45-F72 HydrophobicContact CZ3-CE1 3.98Å; W45-V111 HydrophobicContact CH2-CG1 3.66Å; W45-V111 HydrophobicContact CZ2-CG1 3.92Å; W45-V111 HydrophobicContact CZ3-CG1 4.31Å; W45-L115 HydrophobicContact CH2-CD1 4.25Å; W45-L115 HydrophobicContact CH2-CD2 4.23Å; W45-L115 HydrophobicContact CH2-CG 4.5Å; W45-L115 HydrophobicContact CZ2-CD1 3.61Å; W45-L115 HydrophobicContact CZ2-CD2 3.96Å; W45-L115 HydrophobicContact CZ2-CG 4.22Å; W45-I120 HydrophobicContact CH2-CD1 3.79Å; W45-I120 HydrophobicContact CZ2-CD1 3.95Å; W45-I120 HydrophobicContact CZ3-CD1 4.38Å; W45-W123 HydrophobicContact CH2-CD2 4.24Å; W45-W123 AromaticContact CH2-CE3 3.96Å; W45-W123 HydrophobicContact CH2-CE3 3.96Å; W45-W123 AromaticContact CH2-CH2 3.72Å; W45-W123 HydrophobicContact CH2-CH2 3.72Å; W45-W123 HydrophobicContact CH2-CZ2 4.02Å; W45-W123 AromaticContact CH2-CZ3 3.7Å; W45-W123 HydrophobicContact CH2-CZ3 3.7Å; W45-W123 HydrophobicContact CZ3-CD2 4.22Å; W45-W123 HydrophobicContact CZ3-CE3 4.39Å; W45-W123 HydrophobicContact CZ3-CH2 4.36Å; W45-W123 HydrophobicContact CZ3-CZ2 4.21Å; W45-W123 HydrophobicContact CZ3-CZ3 4.46Å
46	I	97.6	Very high	97.7	Very high	4 Å²	4	39 Å²	39	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-43.2	176.8	-65.2	164.6	0	0	0	110	K24 L27 P28 L42 P43 T49 F50 F55 W137	K24-I46 HydrophobicContact CD-CG2 4.47Å; K24-I46 HydrophobicContact CG-CG2 3.6Å; L27-I46 HydrophobicContact CB-CG1 4.28Å; P28-I46 HydrophobicContact CG-CD1 3.72Å; L42-I46 HydrophobicContact CG-CD1 4.27Å; L42-I46 VanDerWaalsContact O-CG1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.33Å; L42-I46 PolarHBondContact O-N 3.08Å; P43-I46 PolarHBondContact O-N 3.09Å; I46-T49 PolarHBondContact O-OG1 2.98Å; I46-F50 WeakPolarHBondContact O-CB 3.46Å; I46-F50 PolarHBondContact O-N 2.86Å; I46-F50 VanDerWaalsContact O-N 3.16Å; I46-F55 HydrophobicContact CG2-CE1 4.18Å; I46-F55 HydrophobicContact CG2-CZ 3.86Å; I46-F55 WeakPolarHBondContact O-CE1 3.21Å; I46-W137 HydrophobicContact CB-CB 4.38Å; I46-W137 HydrophobicContact CG2-CB 4.22Å; I46-W137 HydrophobicContact CG2-CE3 4.02Å
47	C	98.4	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-47	173.5	178.6	0	0	0	0	112.3	P43 E44 W45 F50 H51 C130 W137	P43-C47 WeakPolarHBondContact O-CB 3.39Å; P43-C47 PolarHBondContact O-N 2.96Å; E44-C47 PolarHBondContact O-N 3.17Å; W45-C47 VanDerWaalsContact C-N 3.34Å; W45-C47 PolarHBondContact O-N 2.86Å; C47-F50 WeakPolarHBondContact O-CB 3.11Å; C47-F50 PolarHBondContact O-N 3.12Å; C47-H51 PolarHBondContact O-CD2 2.74Å; C47-H51 VanDerWaalsContact O-CD2 3.22Å; C47-H51 PolarHBondContact O-N 3.39Å; C47-H51 VanDerWaalsContact O-N 3.16Å; C47-C130 HydrophobicContact CB-CB 3.53Å; C47-C130 WeakPolarHBondContact CB-SG 3.25Å; C47-C130 WeakPolarHBondContact SG-CA 3.33Å; C47-C130 WeakPolarHBondContact SG-CB 3.28Å; C47-C130 CovalentContact SG-SG 2.03Å; C47-C130 PolarHBondContact SG-SG 2.9Å; C47-W137 HydrophobicContact CB-CD2 3.72Å; C47-W137 HydrophobicContact CB-CE3 4.47Å; C47-W137 HydrophobicContact CB-CG 3.76Å; C47-W137 HydrophobicContact CB-CZ2 4.11Å; C47-W137 VanDerWaalsContact SG-CE2 3.53Å; C47-W137 PolarHBondContact SG-NE1 2.94Å
48	T	98.2	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-49.5	-173.5	-58.1	0	0	0	0	110.7	E44 W45 F50 H51 I52 W123 H126 C130	E44-T48 VanDerWaalsContact O-CB 3.3Å; E44-T48 WeakPolarHBondContact O-CB 3.19Å; E44-T48 PolarHBondContact O-N 3.45Å; E44-T48 PolarHBondContact O-OG1 3.16Å; W45-T48 PolarHBondContact O-N 2.93Å; T48-F50 VanDerWaalsContact C-N 3.29Å; T48-F50 PolarHBondContact O-N 2.69Å; T48-H51 PolarHBondContact O-N 3.09Å; T48-I52 HydrophobicContact CG2-CD1 4.23Å; T48-I52 HydrophobicContact CG2-CG2 4.42Å; T48-I52 WeakPolarHBondContact O-CG1 3.46Å; T48-I52 WeakPolarHBondContact O-CG2 3.39Å; T48-I52 PolarHBondContact O-N 3.1Å; T48-W123 HydrophobicContact CG2-CB 3.68Å; T48-W123 HydrophobicContact CG2-CG 3.94Å; T48-H126 HydrophobicContact CG2-CB 4.25Å; T48-C130 PolarHBondContact N-SG 2.67Å; T48-C130 VanDerWaalsContact N-SG 3.41Å
49	T	98	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-33.2	178.6	52.1	0	0	0	0	112.6	W45 I46 S53 G54 F55 L71 F72	W45-T49 WeakPolarHBondContact O-CB 3.33Å; W45-T49 WeakPolarHBondContact O-CG2 3.42Å; W45-T49 PolarHBondContact O-N 3.21Å; W45-T49 PolarHBondContact O-OG1 3.35Å; I46-T49 PolarHBondContact O-OG1 2.98Å; T49-S53 PolarHBondContact O-N 3.2Å; T49-S53 VanDerWaalsContact O-N 3.12Å; T49-S53 PolarHBondContact O-OG 3.15Å; T49-G54 PolarHBondContact O-N 2.76Å; T49-F55 PolarHBondContact O-N 2.78Å; T49-F55 WeakPolarHBondContact OG1-CE1 3.27Å; T49-L71 HydrophobicContact CG2-CD1 4.09Å; T49-L71 HydrophobicContact CG2-CD2 4.44Å; T49-L71 HydrophobicContact CG2-CG 3.9Å; T49-F72 HydrophobicContact CG2-CD1 4Å; T49-F72 HydrophobicContact CG2-CE1 3.94Å
50	F	97.7	Very high	97.7	Very high	89 Å²	89	30.4 Å²	30.4	39%	0.39	16%	0.161	S	C	.	.	H	α-helix	trans	-60.4	-46.1	170.7	179.9	-100.5	0	0	0	111.8	I46 C47 T48 G54 F55 W137	I46-F50 WeakPolarHBondContact O-CB 3.46Å; I46-F50 PolarHBondContact O-N 2.86Å; I46-F50 VanDerWaalsContact O-N 3.16Å; C47-F50 WeakPolarHBondContact O-CB 3.11Å; C47-F50 PolarHBondContact O-N 3.12Å; T48-F50 VanDerWaalsContact C-N 3.29Å; T48-F50 PolarHBondContact O-N 2.69Å; F50-G54 WeakPolarHBondContact O-CA 3.38Å; F50-G54 PolarHBondContact O-N 3.45Å; F50-F55 VanDerWaalsContact CA-CE1 3.47Å; F50-F55 HydrophobicContact CB-CD1 4.15Å; F50-F55 HydrophobicContact CB-CE1 3.48Å; F50-F55 VanDerWaalsContact CB-CE1 3.48Å; F50-F55 HydrophobicContact CB-CE2 4.23Å; F50-F55 HydrophobicContact CB-CZ 3.52Å; F50-F55 HydrophobicContact CD2-CD2 4.11Å; F50-F55 HydrophobicContact CD2-CE1 4.38Å; F50-F55 AromaticContact CD2-CE2 3.64Å; F50-F55 HydrophobicContact CD2-CE2 3.64Å; F50-F55 AromaticContact CD2-CZ 3.82Å; F50-F55 HydrophobicContact CD2-CZ 3.82Å; F50-F55 HydrophobicContact CG-CE1 4.44Å; F50-F55 HydrophobicContact CG-CE2 4.39Å; F50-F55 HydrophobicContact CG-CZ 4.11Å; F50-F55 VanDerWaalsContact N-CE1 3.26Å; F50-W137 HydrophobicContact CB-CH2 3.89Å; F50-W137 HydrophobicContact CB-CZ3 3.69Å; F50-W137 AromaticContact CD1-CH2 3.36Å; F50-W137 HydrophobicContact CD1-CH2 3.36Å; F50-W137 HydrophobicContact CD1-CZ2 4.41Å; F50-W137 AromaticContact CD1-CZ3 3.88Å; F50-W137 HydrophobicContact CD1-CZ3 3.88Å; F50-W137 HydrophobicContact CD2-CH2 4.48Å; F50-W137 HydrophobicContact CD2-CZ3 4.22Å; F50-W137 AromaticContact CE1-CH2 3.95Å; F50-W137 HydrophobicContact CE1-CH2 3.95Å; F50-W137 AromaticContact CG-CH2 3.64Å; F50-W137 HydrophobicContact CG-CH2 3.64Å; F50-W137 AromaticContact CG-CZ3 3.65Å; F50-W137 HydrophobicContact CG-CZ3 3.65Å
51	H	97.8	Very high	97.7	Very high	80 Å²	80	32.7 Å²	32.7	37%	0.37	18%	0.175	S	C	.	.	H	α-helix	trans	-77.6	-27.6	-173.9	-78.8	-61.5	0	0	0	114.1	C47 T48 A125 L129 W137	C47-H51 PolarHBondContact O-CD2 2.74Å; C47-H51 VanDerWaalsContact O-CD2 3.22Å; C47-H51 PolarHBondContact O-N 3.39Å; C47-H51 VanDerWaalsContact O-N 3.16Å; T48-H51 PolarHBondContact O-N 3.09Å; H51-A125 HydrophobicContact CB-CB 3.96Å; H51-L129 HydrophobicContact CB-CD1 4.13Å; H51-W137 AromaticContact NE2-CZ2 3.77Å
52	I	97.4	Very high	97.6	Very high	35 Å²	35	35.8 Å²	35.8	18%	0.179	19%	0.19	C	C	.	.	H	α-helix	trans	-93.4	-32.7	-176.7	69.4	-175.1	0	0	0	113.3	T48 Q73 W123 A125	T48-I52 HydrophobicContact CG2-CD1 4.23Å; T48-I52 HydrophobicContact CG2-CG2 4.42Å; T48-I52 WeakPolarHBondContact O-CG1 3.46Å; T48-I52 WeakPolarHBondContact O-CG2 3.39Å; T48-I52 PolarHBondContact O-N 3.1Å; I52-Q73 HydrophobicContact CB-CB 4.37Å; I52-Q73 HydrophobicContact CB-CG 3.8Å; I52-Q73 HydrophobicContact CD1-CB 4.24Å; I52-Q73 HydrophobicContact CD1-CG 4.24Å; I52-Q73 HydrophobicContact CG1-CB 4.41Å; I52-Q73 HydrophobicContact CG1-CG 3.89Å; I52-Q73 WeakPolarHBondContact O-CG 3.3Å; I52-W123 VanDerWaalsContact CD1-CD1 3.5Å; I52-A125 HydrophobicContact CG2-CB 3.68Å
53	S	97.8	Very high	97.2	Very high	11 Å²	11	37.7 Å²	37.7	8%	0.077	20%	0.2	C	C	.	.	H	α-helix	trans	-133.3	-2.3	-178	76.4	0	0	0	0	113.9	T49 F55 D56 T59 L71	T49-S53 PolarHBondContact O-N 3.2Å; T49-S53 VanDerWaalsContact O-N 3.12Å; T49-S53 PolarHBondContact O-OG 3.15Å; S53-F55 PolarHBondContact O-N 2.98Å; S53-F55 PolarHBondContact OG-N 3.37Å; S53-D56 PolarHBondContact O-N 3.03Å; S53-D56 VanDerWaalsContact O-N 3.14Å; S53-T59 PolarHBondContact O-OG1 3.38Å; S53-L71 PolarHBondContact OG-O 3.41Å
54	G	97.1	Very high	96.8	Very high	28 Å²	28	44.7 Å²	44.7	29%	0.289	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	21.2	-174.1	0	0	0	0	0	113.4	Q21 T49 F50 D56	Q21-G54 PolarHBondContact NE2-O 3.26Å; T49-G54 PolarHBondContact O-N 2.76Å; F50-G54 WeakPolarHBondContact O-CA 3.38Å; F50-G54 PolarHBondContact O-N 3.45Å; G54-D56 VanDerWaalsContact C-N 3.3Å
55	F	97.2	Very high	96.4	Very high	14 Å²	14	49.3 Å²	49.3	6%	0.061	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	10.6	-172.4	-48.4	-41.1	0	0	0	116.4	L22 K24 L27 I46 T49 F50 S53	L22-F55 HydrophobicContact CB-CB 4.19Å; L22-F55 WeakPolarHBondContact CB-O 3.38Å; L22-F55 PolarHBondContact N-O 3.43Å; L22-F55 WeakPolarHBondContact O-CB 3.34Å; K24-F55 HydrophobicContact CB-CE2 4.04Å; K24-F55 HydrophobicContact CB-CZ 4.36Å; K24-F55 HydrophobicContact CG-CE2 4.5Å; K24-F55 HydrophobicContact CG-CZ 4.36Å; L27-F55 HydrophobicContact CD1-CB 4.16Å; L27-F55 HydrophobicContact CD1-CD1 3.11Å; L27-F55 HydrophobicContact CD1-CD2 4.31Å; L27-F55 HydrophobicContact CD1-CE1 3.26Å; L27-F55 HydrophobicContact CD1-CE2 4.46Å; L27-F55 HydrophobicContact CD1-CG 3.65Å; L27-F55 HydrophobicContact CD1-CZ 3.97Å; I46-F55 HydrophobicContact CG2-CE1 4.18Å; I46-F55 HydrophobicContact CG2-CZ 3.86Å; I46-F55 WeakPolarHBondContact O-CE1 3.21Å; T49-F55 PolarHBondContact O-N 2.78Å; T49-F55 WeakPolarHBondContact OG1-CE1 3.27Å; F50-F55 VanDerWaalsContact CA-CE1 3.47Å; F50-F55 HydrophobicContact CB-CD1 4.15Å; F50-F55 HydrophobicContact CB-CE1 3.48Å; F50-F55 VanDerWaalsContact CB-CE1 3.48Å; F50-F55 HydrophobicContact CB-CE2 4.23Å; F50-F55 HydrophobicContact CB-CZ 3.52Å; F50-F55 HydrophobicContact CD2-CD2 4.11Å; F50-F55 HydrophobicContact CD2-CE1 4.38Å; F50-F55 AromaticContact CD2-CE2 3.64Å; F50-F55 HydrophobicContact CD2-CE2 3.64Å; F50-F55 AromaticContact CD2-CZ 3.82Å; F50-F55 HydrophobicContact CD2-CZ 3.82Å; F50-F55 HydrophobicContact CG-CE1 4.44Å; F50-F55 HydrophobicContact CG-CE2 4.39Å; F50-F55 HydrophobicContact CG-CZ 4.11Å; F50-F55 VanDerWaalsContact N-CE1 3.26Å; S53-F55 PolarHBondContact O-N 2.98Å; S53-F55 PolarHBondContact OG-N 3.37Å
56	D	97.6	Very high	96.2	Very high	33 Å²	33	50.1 Å²	50.1	18%	0.176	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-87.5	123.1	177.1	177	21.4	0	0	0	110.7	S20 S53 G54 Q58 T59	S20-D56 WeakPolarHBondContact CB-OD1 3.38Å; S20-D56 WeakPolarHBondContact O-CA 3.5Å; S20-D56 PolarHBondContact OG-OD1 3.26Å; S53-D56 PolarHBondContact O-N 3.03Å; S53-D56 VanDerWaalsContact O-N 3.14Å; G54-D56 VanDerWaalsContact C-N 3.3Å; D56-Q58 PolarHBondContact O-N 3.37Å; D56-Q58 PolarHBondContact OD1-N 2.71Å; D56-T59 WeakPolarHBondContact CB-OG1 3.49Å; D56-T59 PolarHBondContact OD2-OG1 3.38Å
57	T	97.9	Very high	96.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.2	177	58.1	0	0	0	0	112.2	S20 L22 G70 F99 L100 D101 D102 L104	S20-T57 WeakPolarHBondContact CA-OG1 3.46Å; S20-T57 PolarHBondContact O-N 3.12Å; S20-T57 PolarHBondContact O-OG1 2.79Å; S20-T57 VanDerWaalsContact O-OG1 3.12Å; L22-T57 HydrophobicContact CD1-CG2 3.81Å; L22-T57 HydrophobicContact CG-CG2 4.09Å; T57-G70 WeakPolarHBondContact O-CA 3.44Å; T57-F99 VanDerWaalsContact O-O 3.11Å; T57-L100 WeakPolarHBondContact O-CA 3.42Å; T57-D101 WeakPolarHBondContact CB-O 3.06Å; T57-D102 PolarHBondContact OG1-OD1 3.23Å; T57-L104 HydrophobicContact CG2-CD2 4.06Å
58	Q	97.7	Very high	96.2	Very high	102 Å²	102	53.1 Å²	53.1	48%	0.477	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	10.5	-177.7	-70	179.3	42.6	0	0	113.7	S20 D56 I60 L100	S20-Q58 VanDerWaalsContact CB-NE2 3.28Å; D56-Q58 PolarHBondContact O-N 3.37Å; D56-Q58 PolarHBondContact OD1-N 2.71Å; Q58-I60 PolarHBondContact O-N 2.85Å; Q58-L100 VanDerWaalsContact CG-O 3.29Å; Q58-L100 WeakPolarHBondContact CG-O 3.22Å
59	T	97.9	Very high	96.2	Very high	26 Å²	26	53.7 Å²	53.7	16%	0.16	28%	0.284	C	S	.	.			trans	-64.8	127.5	178.2	-67.3	0	0	0	0	111.4	S53 D56 V61 G70 Q73	S53-T59 PolarHBondContact O-OG1 3.38Å; D56-T59 WeakPolarHBondContact CB-OG1 3.49Å; D56-T59 PolarHBondContact OD2-OG1 3.38Å; T59-V61 HydrophobicContact CG2-CG2 3.96Å; T59-G70 PolarHBondContact O-N 3.5Å; T59-Q73 PolarHBondContact O-NE2 3.16Å
60	I	97.9	Very high	96.3	Very high	84 Å²	84	53.7 Å²	53.7	43%	0.431	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.2	172.9	-60.3	174.4	0	0	0	108.5	Q58 I67 E68 Y69 L100	Q58-I60 PolarHBondContact O-N 2.85Å; I60-I67 HydrophobicContact CG2-CG2 3.46Å; I60-I67 VanDerWaalsContact CG2-CG2 3.46Å; I60-E68 WeakPolarHBondContact CA-O 3.44Å; I60-Y69 HydrophobicContact CG1-CD1 4.39Å; I60-L100 HydrophobicContact CD1-CD1 3.76Å; I60-L100 HydrophobicContact CD1-CD2 4.3Å; I60-L100 HydrophobicContact CG1-CD1 4.15Å; I60-L100 HydrophobicContact CG1-CD2 3.78Å
61	V	97.5	Very high	96.3	Very high	51 Å²	51	49.4 Å²	49.4	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.7	176.5	177.8	0	0	0	0	109.6	T59 I67 E68	T59-V61 HydrophobicContact CG2-CG2 3.96Å; V61-I67 WeakPolarHBondContact O-CA 3.41Å; V61-E68 HydrophobicContact CB-CB 4.5Å; V61-E68 PolarHBondContact N-O 3.34Å; V61-E68 PolarHBondContact O-N 2.73Å
62	N	96.3	Very high	96.3	Very high	118 Å²	118	45.6 Å²	45.6	63%	0.631	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	111.9	174.1	-66.7	-84.1	0	0	0	109	I67	N62-I67 WeakPolarHBondContact OD1-CG1 3.15Å
63	N	88.7	Confident	96.4	Very high	67 Å²	67	44.2 Å²	44.2	36%	0.358	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	152	166.6	-65	-45.1	0	0	0	108.4	D65 S66 E68	N63-D65 PolarHBondContact O-N 3.39Å; N63-S66 CarbonylContact C-O 3.39Å; N63-S66 VanDerWaalsContact CA-O 3.32Å; N63-S66 WeakPolarHBondContact CA-O 3.44Å; N63-S66 WeakPolarHBondContact CB-O 3.18Å; N63-S66 PolarHBondContact N-O 3.12Å; N63-S66 PolarHBondContact O-N 3.37Å; N63-E68 PolarHBondContact ND2-OE1 2.89Å; N63-E68 PolarHBondContact ND2-OE2 3.26Å
64	N	87.1	Confident	96.4	Very high	170 Å²	170	43.7 Å²	43.7	91%	0.909	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-42.9	-41.3	-171.3	-67.3	-15.5	0	0	0	114.9
65	D	89.9	Confident	96.5	Very high	123 Å²	123	42.7 Å²	42.7	66%	0.658	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	2.8	-175.9	-51.6	-30.3	0	0	0	114	N63	N63-D65 PolarHBondContact O-N 3.39Å
66	S	95.1	Very high	96.5	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.119	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	157.6	-173.9	62.5	0	0	0	0	112.9	N63 S75 N76	N63-S66 CarbonylContact C-O 3.39Å; N63-S66 VanDerWaalsContact CA-O 3.32Å; N63-S66 WeakPolarHBondContact CA-O 3.44Å; N63-S66 WeakPolarHBondContact CB-O 3.18Å; N63-S66 PolarHBondContact N-O 3.12Å; N63-S66 PolarHBondContact O-N 3.37Å; S66-S75 WeakPolarHBondContact CB-OG 3.34Å; S66-N76 WeakPolarHBondContact CA-OD1 3.38Å; S66-N76 WeakPolarHBondContact CB-OD1 3.44Å
67	I	97.8	Very high	96.4	Very high	18 Å²	18	45.6 Å²	45.6	9%	0.092	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139	175	-52.9	175.9	0	0	0	108.3	I60 V61 N62 Y69 S75 N76 Q84	I60-I67 HydrophobicContact CG2-CG2 3.46Å; I60-I67 VanDerWaalsContact CG2-CG2 3.46Å; V61-I67 WeakPolarHBondContact O-CA 3.41Å; N62-I67 WeakPolarHBondContact OD1-CG1 3.15Å; I67-Y69 HydrophobicContact CB-CE2 3.6Å; I67-Y69 WeakPolarHBondContact CB-OH 3.43Å; I67-Y69 HydrophobicContact CG2-CD2 4.26Å; I67-Y69 HydrophobicContact CG2-CE1 4.02Å; I67-Y69 HydrophobicContact CG2-CE2 3.52Å; I67-Y69 WeakPolarHBondContact CG2-OH 3.47Å; I67-Y69 VanDerWaalsContact O-CE2 3.26Å; I67-Y69 WeakPolarHBondContact O-CE2 3.42Å; I67-S75 CarbonylContact O-C 3.41Å; I67-S75 WeakPolarHBondContact O-CA 3.48Å; I67-N76 PolarHBondContact N-OD1 3.31Å; I67-N76 PolarHBondContact O-N 3.15Å; I67-N76 PolarHBondContact O-OD1 3.15Å; I67-Q84 HydrophobicContact CD1-CB 4.12Å; I67-Q84 HydrophobicContact CD1-CG 3.86Å
68	E	98.2	Very high	96.4	Very high	50 Å²	50	47.7 Å²	47.7	23%	0.234	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.8	175.9	-75.3	169.1	-163.1	0	0	110.3	I60 V61 N63 Q73	I60-E68 WeakPolarHBondContact CA-O 3.44Å; V61-E68 HydrophobicContact CB-CB 4.5Å; V61-E68 PolarHBondContact N-O 3.34Å; V61-E68 PolarHBondContact O-N 2.73Å; N63-E68 PolarHBondContact ND2-OE1 2.89Å; N63-E68 PolarHBondContact ND2-OE2 3.26Å; E68-Q73 HydrophobicContact CB-CB 3.99Å
69	Y	98.6	Very high	96.4	Very high	11 Å²	11	43.3 Å²	43.3	4%	0.043	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.2	-167.3	-60.9	-100.4	0	0	0	111.7	I60 I67 Q73 I74 N76 D82 C96 L100	I60-Y69 HydrophobicContact CG1-CD1 4.39Å; I67-Y69 HydrophobicContact CB-CE2 3.6Å; I67-Y69 WeakPolarHBondContact CB-OH 3.43Å; I67-Y69 HydrophobicContact CG2-CD2 4.26Å; I67-Y69 HydrophobicContact CG2-CE1 4.02Å; I67-Y69 HydrophobicContact CG2-CE2 3.52Å; I67-Y69 WeakPolarHBondContact CG2-OH 3.47Å; I67-Y69 VanDerWaalsContact O-CE2 3.26Å; I67-Y69 WeakPolarHBondContact O-CE2 3.42Å; Y69-Q73 CarbonylContact O-C 3.38Å; Y69-Q73 VanDerWaalsContact O-CA 3.27Å; Y69-Q73 WeakPolarHBondContact O-CA 3.37Å; Y69-Q73 PolarHBondContact O-N 3.37Å; Y69-Q73 VanDerWaalsContact O-N 3.13Å; Y69-I74 WeakPolarHBondContact CD2-O 3.3Å; Y69-I74 PolarHBondContact N-O 3.14Å; Y69-I74 PolarHBondContact O-N 2.03Å; Y69-N76 HydrophobicContact CE2-CB 3.8Å; Y69-D82 PolarHBondContact OH-OD2 2.97Å; Y69-C96 HydrophobicContact CD1-CB 3.88Å; Y69-C96 HydrophobicContact CD2-CB 3.71Å; Y69-C96 HydrophobicContact CE1-CB 3.82Å; Y69-C96 HydrophobicContact CE2-CB 3.68Å; Y69-C96 HydrophobicContact CG-CB 3.83Å; Y69-L100 HydrophobicContact CD1-CD1 4.04Å; Y69-L100 HydrophobicContact CD1-CD2 4.18Å; Y69-L100 HydrophobicContact CD1-CG 4.19Å
70	G	98.3	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-168.6	161.1	0	0	0	0	0	115.3	T57 T59 F72 Q73 F99	T57-G70 WeakPolarHBondContact O-CA 3.44Å; T59-G70 PolarHBondContact O-N 3.5Å; G70-F72 PolarHBondContact O-N 3.16Å; G70-F72 VanDerWaalsContact O-N 3.12Å; G70-Q73 PolarHBondContact O-N 3.22Å; G70-Q73 VanDerWaalsContact O-N 3.14Å; G70-Q73 PolarHBondContact O-NE2 3.31Å; G70-F99 WeakPolarHBondContact CA-O 3.06Å
71	L	98.4	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.6	-178.7	-180	65.5	0	0	0	112.8	L22 L27 L31 T49 S53 L104	L22-L71 HydrophobicContact CD1-CD2 4.15Å; L27-L71 HydrophobicContact CD2-CD1 4.28Å; L27-L71 HydrophobicContact CD2-CD2 3.7Å; L31-L71 HydrophobicContact CD2-CD2 4.45Å; T49-L71 HydrophobicContact CG2-CD1 4.09Å; T49-L71 HydrophobicContact CG2-CD2 4.44Å; T49-L71 HydrophobicContact CG2-CG 3.9Å; S53-L71 PolarHBondContact OG-O 3.41Å; L71-L104 HydrophobicContact CB-CD2 4.28Å; L71-L104 HydrophobicContact CD2-CD1 3.47Å; L71-L104 VanDerWaalsContact CD2-CD1 3.47Å; L71-L104 HydrophobicContact CD2-CD2 3.91Å; L71-L104 HydrophobicContact CD2-CG 4.36Å
72	F	98.6	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3.4	-175.1	-63.5	-80.6	0	0	0	114.2	L31 I34 W45 T49 G70 I74 D107 I108 V111 W123	L31-F72 HydrophobicContact CD1-CZ 4.39Å; L31-F72 HydrophobicContact CD2-CE1 4.47Å; L31-F72 HydrophobicContact CD2-CE2 4.33Å; L31-F72 HydrophobicContact CD2-CZ 3.58Å; I34-F72 HydrophobicContact CD1-CE1 4.02Å; I34-F72 HydrophobicContact CD1-CZ 4.02Å; W45-F72 HydrophobicContact CE3-CD1 4.17Å; W45-F72 AromaticContact CE3-CE1 3.84Å; W45-F72 HydrophobicContact CE3-CE1 3.84Å; W45-F72 AromaticContact CZ3-CD1 3.92Å; W45-F72 HydrophobicContact CZ3-CD1 3.92Å; W45-F72 AromaticContact CZ3-CE1 3.98Å; W45-F72 HydrophobicContact CZ3-CE1 3.98Å; T49-F72 HydrophobicContact CG2-CD1 4Å; T49-F72 HydrophobicContact CG2-CE1 3.94Å; G70-F72 PolarHBondContact O-N 3.16Å; G70-F72 VanDerWaalsContact O-N 3.12Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 HydrophobicContact CB-CD1 4.13Å; F72-I74 HydrophobicContact CB-CG1 3.86Å; F72-I74 PolarHBondContact O-N 3.16Å; F72-D107 HydrophobicContact CD2-CB 3.74Å; F72-D107 HydrophobicContact CE2-CB 3.81Å; F72-I108 HydrophobicContact CE2-CG1 4.41Å; F72-I108 HydrophobicContact CZ-CG1 4.36Å; F72-V111 HydrophobicContact CB-CG2 3.8Å; F72-V111 HydrophobicContact CD1-CG2 3.56Å; F72-V111 HydrophobicContact CD2-CG2 3.78Å; F72-V111 HydrophobicContact CE1-CG2 3.95Å; F72-V111 HydrophobicContact CE2-CG2 4.13Å; F72-V111 HydrophobicContact CG-CG2 3.43Å; F72-V111 VanDerWaalsContact CG-CG2 3.43Å; F72-V111 HydrophobicContact CZ-CG2 4.19Å; F72-W123 PolarHBondContact O-NE1 3.11Å
73	Q	98.6	Very high	96.2	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.028	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	53.8	-178.9	-65.6	-60.5	-70.7	0	0	112.1	I52 T59 E68 Y69 G70 Y122	I52-Q73 HydrophobicContact CB-CB 4.37Å; I52-Q73 HydrophobicContact CB-CG 3.8Å; I52-Q73 HydrophobicContact CD1-CB 4.24Å; I52-Q73 HydrophobicContact CD1-CG 4.24Å; I52-Q73 HydrophobicContact CG1-CB 4.41Å; I52-Q73 HydrophobicContact CG1-CG 3.89Å; I52-Q73 WeakPolarHBondContact O-CG 3.3Å; T59-Q73 PolarHBondContact O-NE2 3.16Å; E68-Q73 HydrophobicContact CB-CB 3.99Å; Y69-Q73 CarbonylContact O-C 3.38Å; Y69-Q73 VanDerWaalsContact O-CA 3.27Å; Y69-Q73 WeakPolarHBondContact O-CA 3.37Å; Y69-Q73 PolarHBondContact O-N 3.37Å; Y69-Q73 VanDerWaalsContact O-N 3.13Å; G70-Q73 PolarHBondContact O-N 3.22Å; G70-Q73 VanDerWaalsContact O-N 3.14Å; G70-Q73 PolarHBondContact O-NE2 3.31Å; Q73-Y122 PolarHBondContact O-OH 2.72Å; Q73-Y122 VanDerWaalsContact O-OH 3.11Å
74	I	98.6	Very high	96.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.5	-178.2	-60.4	170.2	0	0	0	108.8	Y69 F72 W79 F99 C110 V111 I114	Y69-I74 WeakPolarHBondContact CD2-O 3.3Å; Y69-I74 PolarHBondContact N-O 3.14Å; Y69-I74 PolarHBondContact O-N 2.03Å; F72-I74 VanDerWaalsContact C-N 3.33Å; F72-I74 HydrophobicContact CB-CD1 4.13Å; F72-I74 HydrophobicContact CB-CG1 3.86Å; F72-I74 PolarHBondContact O-N 3.16Å; I74-W79 HydrophobicContact CG2-CB 3.46Å; I74-W79 VanDerWaalsContact CG2-CB 3.46Å; I74-W79 HydrophobicContact CG2-CG 4.07Å; I74-F99 HydrophobicContact CB-CD2 3.81Å; I74-F99 HydrophobicContact CB-CE2 3.76Å; I74-F99 HydrophobicContact CD1-CD1 4.08Å; I74-F99 HydrophobicContact CD1-CD2 3.95Å; I74-F99 HydrophobicContact CD1-CE1 3.99Å; I74-F99 HydrophobicContact CD1-CE2 3.82Å; I74-F99 HydrophobicContact CD1-CG 4.06Å; I74-F99 HydrophobicContact CD1-CZ 3.86Å; I74-F99 HydrophobicContact CG1-CD2 4.44Å; I74-F99 HydrophobicContact CG1-CE2 4.4Å; I74-F99 HydrophobicContact CG2-CD2 4.01Å; I74-F99 HydrophobicContact CG2-CE2 3.42Å; I74-F99 VanDerWaalsContact CG2-CE2 3.42Å; I74-F99 HydrophobicContact CG2-CZ 4.12Å; I74-C110 HydrophobicContact CD1-CB 3.99Å; I74-V111 HydrophobicContact CD1-CG2 4.4Å; I74-I114 HydrophobicContact CG1-CD1 4.18Å; I74-I114 HydrophobicContact CG2-CD1 4.19Å
75	S	98	Very high	96.5	Very high	7 Å²	7	42 Å²	42	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.5	-171.3	-178.8	0	0	0	0	114	S66 I67 K77 W79 Y122	S66-S75 WeakPolarHBondContact CB-OG 3.34Å; I67-S75 CarbonylContact O-C 3.41Å; I67-S75 WeakPolarHBondContact O-CA 3.48Å; S75-K77 PolarHBondContact O-N 3.12Å; S75-K77 VanDerWaalsContact O-N 3.17Å; S75-K77 VanDerWaalsContact OG-CB 3.28Å; S75-K77 WeakPolarHBondContact OG-CB 3.45Å; S75-K77 PolarHBondContact OG-N 3.38Å; S75-K77 VanDerWaalsContact OG-N 3.13Å; S75-W79 WeakPolarHBondContact O-CB 3.39Å; S75-W79 PolarHBondContact O-N 3.22Å; S75-W79 VanDerWaalsContact O-N 3.11Å; S75-Y122 WeakPolarHBondContact CB-OH 3.36Å; S75-Y122 PolarHBondContact N-OH 3.28Å
76	N	97.8	Very high	96.4	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.011	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-7.9	168.8	70.9	-0.3	0	0	0	113.5	S66 I67 Y69 C78 D82 N85 S88 C96	S66-N76 WeakPolarHBondContact CA-OD1 3.38Å; S66-N76 WeakPolarHBondContact CB-OD1 3.44Å; I67-N76 PolarHBondContact N-OD1 3.31Å; I67-N76 PolarHBondContact O-N 3.15Å; I67-N76 PolarHBondContact O-OD1 3.15Å; Y69-N76 HydrophobicContact CE2-CB 3.8Å; N76-C78 VanDerWaalsContact C-N 3.28Å; N76-C78 PolarHBondContact O-N 3.37Å; N76-D82 VanDerWaalsContact ND2-CG 3.25Å; N76-D82 PolarHBondContact ND2-OD1 3.12Å; N76-D82 VanDerWaalsContact ND2-OD1 3.1Å; N76-D82 PolarHBondContact ND2-OD2 3.27Å; N76-N85 HydrophobicContact CB-CB 4.46Å; N76-S88 WeakPolarHBondContact O-CB 3.33Å; N76-S88 PolarHBondContact O-OG 2.96Å; N76-C96 VanDerWaalsContact CB-SG 3.53Å
77	K	96.7	Very high	96.2	Very high	106 Å²	106	47.3 Å²	47.3	46%	0.461	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-37	179.2	-165.6	167.3	-176	164.4	0	112.6	S75	S75-K77 PolarHBondContact O-N 3.12Å; S75-K77 VanDerWaalsContact O-N 3.17Å; S75-K77 VanDerWaalsContact OG-CB 3.28Å; S75-K77 WeakPolarHBondContact OG-CB 3.45Å; S75-K77 PolarHBondContact OG-N 3.38Å; S75-K77 VanDerWaalsContact OG-N 3.13Å
78	C	96.7	Very high	96.1	Very high	43 Å²	43	47 Å²	47	29%	0.291	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.1	-30.6	-174.3	-69	0	0	0	0	114	N76 N90 I91	N76-C78 VanDerWaalsContact C-N 3.28Å; N76-C78 PolarHBondContact O-N 3.37Å; C78-N90 PolarHBondContact O-N 3.22Å; C78-N90 VanDerWaalsContact O-N 3.14Å; C78-I91 HydrophobicContact CB-CD1 4.3Å; C78-I91 WeakPolarHBondContact O-CG1 3.29Å; C78-I91 PolarHBondContact O-N 3.17Å
79	W	98.4	Very high	96.1	Very high	10 Å²	10	52.6 Å²	52.6	4%	0.038	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-43.3	-160.2	-59.9	106.8	0	0	0	113.5	I74 S75 N90 I91 C92 I114 I117 E118 Y122	I74-W79 HydrophobicContact CG2-CB 3.46Å; I74-W79 VanDerWaalsContact CG2-CB 3.46Å; I74-W79 HydrophobicContact CG2-CG 4.07Å; S75-W79 WeakPolarHBondContact O-CB 3.39Å; S75-W79 PolarHBondContact O-N 3.22Å; S75-W79 VanDerWaalsContact O-N 3.11Å; W79-N90 CarbonylContact O-C 3.57Å; W79-N90 PolarHBondContact O-OD1 3.44Å; W79-I91 HydrophobicContact CE3-CB 3.94Å; W79-I91 HydrophobicContact CE3-CD1 4.21Å; W79-I91 HydrophobicContact CE3-CG2 4.02Å; W79-I91 HydrophobicContact CH2-CD1 4.45Å; W79-I91 HydrophobicContact CZ3-CB 4.21Å; W79-I91 HydrophobicContact CZ3-CD1 4.09Å; W79-I91 HydrophobicContact CZ3-CG2 3.84Å; W79-I91 PolarHBondContact O-N 3.48Å; W79-C92 WeakPolarHBondContact O-CB 3.37Å; W79-C92 PolarHBondContact O-N 3.05Å; W79-I114 HydrophobicContact CD2-CD1 4Å; W79-I114 HydrophobicContact CD2-CG1 3.54Å; W79-I114 HydrophobicContact CE3-CD1 4.28Å; W79-I114 HydrophobicContact CE3-CG1 3.45Å; W79-I114 VanDerWaalsContact CE3-CG1 3.45Å; W79-I114 HydrophobicContact CG-CD1 4.21Å; W79-I114 HydrophobicContact CG-CG1 4.27Å; W79-I114 HydrophobicContact CH2-CB 4.13Å; W79-I114 HydrophobicContact CH2-CG1 3.72Å; W79-I114 HydrophobicContact CH2-CG2 4.38Å; W79-I114 HydrophobicContact CZ2-CB 4.32Å; W79-I114 HydrophobicContact CZ2-CG1 3.8Å; W79-I114 HydrophobicContact CZ2-CG2 4.19Å; W79-I114 HydrophobicContact CZ3-CB 4.26Å; W79-I114 HydrophobicContact CZ3-CG1 3.53Å; W79-I117 HydrophobicContact CH2-CB 4.19Å; W79-I117 HydrophobicContact CH2-CD1 4.26Å; W79-I117 HydrophobicContact CH2-CG2 4.3Å; W79-I117 HydrophobicContact CZ3-CD1 4.1Å; W79-E118 HydrophobicContact CH2-CG 3.95Å; W79-E118 HydrophobicContact CZ2-CG 3.61Å; W79-Y122 AromaticContact CD1-CE2 3.92Å; W79-Y122 HydrophobicContact CZ2-CD2 4.49Å; W79-Y122 AromaticContact NE1-CD2 3.91Å; W79-Y122 AromaticContact NE1-CE2 3.21Å; W79-Y122 AromaticContact NE1-CZ 3.8Å
80	C	98.5	Very high	96	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-126.1	167.5	178.7	59.4	0	0	0	0	111.7	S88 N90 T94 C96 F99	C80-S88 WeakPolarHBondContact O-CB 3.43Å; C80-S88 PolarHBondContact O-OG 2.95Å; C80-N90 WeakPolarHBondContact CA-OD1 3.13Å; C80-T94 HydrophobicContact CB-CG2 4.38Å; C80-C96 HydrophobicContact CB-CB 3.93Å; C80-C96 WeakPolarHBondContact CB-SG 3.42Å; C80-C96 WeakPolarHBondContact SG-CA 3Å; C80-C96 WeakPolarHBondContact SG-CB 3.41Å; C80-C96 CovalentContact SG-SG 2.03Å; C80-C96 PolarHBondContact SG-SG 3.18Å; C80-F99 HydrophobicContact CB-CD2 4.3Å; C80-F99 HydrophobicContact CB-CE2 3.51Å; C80-F99 HydrophobicContact CB-CZ 4.2Å
81	R	97.7	Very high	96	Very high	128 Å²	128	55.7 Å²	55.7	48%	0.483	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-102.9	135	176.4	-168.4	98.6	66.4	86.9	4.4	111.3	N90 T94 T95 C96	R81-N90 HydrophobicContact CB-CB 4.25Å; R81-T94 PolarHBondContact N-O 3.19Å; R81-T95 CarbonylContact O-C 3.57Å; R81-T95 VanDerWaalsContact O-CA 3.28Å; R81-T95 WeakPolarHBondContact O-CA 3.46Å; R81-C96 VanDerWaalsContact C-SG 3.54Å; R81-C96 PolarHBondContact O-N 3.41Å
82	D	95.4	Very high	96	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.107	28%	0.282	C	S	.	.			trans	-139.3	179.8	163.8	74	-24.4	0	0	0	110.1	Y69 N76 Q84 N85 C96	Y69-D82 PolarHBondContact OH-OD2 2.97Å; N76-D82 VanDerWaalsContact ND2-CG 3.25Å; N76-D82 PolarHBondContact ND2-OD1 3.12Å; N76-D82 VanDerWaalsContact ND2-OD1 3.1Å; N76-D82 PolarHBondContact ND2-OD2 3.27Å; D82-Q84 VanDerWaalsContact C-N 3.32Å; D82-Q84 PolarHBondContact OD1-N 3.14Å; D82-Q84 VanDerWaalsContact OD2-CB 3.31Å; D82-Q84 WeakPolarHBondContact OD2-CB 3.15Å; D82-N85 PolarHBondContact OD1-N 3.21Å; D82-C96 HydrophobicContact CB-CB 4.22Å
83	D	92.6	Very high	96	Very high	160 Å²	160	62.7 Å²	62.7	86%	0.856	32%	0.316	S	S	*	.	S	Bend	trans	-76.6	-20.5	-179.7	-65.2	-27.3	0	0	0	112.7
84	Q	91.3	Very high	96	Very high	148 Å²	148	63.9 Å²	63.9	69%	0.692	32%	0.323	S	S	*	.	S	Bend	trans	-79.3	-30.2	-177.3	-54.6	-73	53.5	0	0	112.3	I67 D82 P86	I67-Q84 HydrophobicContact CD1-CB 4.12Å; I67-Q84 HydrophobicContact CD1-CG 3.86Å; D82-Q84 VanDerWaalsContact C-N 3.32Å; D82-Q84 PolarHBondContact OD1-N 3.14Å; D82-Q84 VanDerWaalsContact OD2-CB 3.31Å; D82-Q84 WeakPolarHBondContact OD2-CB 3.15Å; Q84-P86 WeakPolarHBondContact O-CD 3.38Å
85	N	90.6	Very high	96	Very high	32 Å²	32	67.4 Å²	67.4	17%	0.171	35%	0.345	C	S	.	.			trans	-125	75.7	176.8	-161.1	-17	0	0	0	112.5	N76 D82 L87 S88	N76-N85 HydrophobicContact CB-CB 4.46Å; D82-N85 PolarHBondContact OD1-N 3.21Å; N85-L87 PolarHBondContact O-N 2.79Å; N85-L87 VanDerWaalsContact O-N 3.1Å; N85-S88 WeakPolarHBondContact O-CB 3.07Å; N85-S88 PolarHBondContact O-N 3.31Å; N85-S88 VanDerWaalsContact O-N 3.08Å
86	P	87.8	Confident	96	Very high	95 Å²	95	67 Å²	67	62%	0.617	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.2	-177.5	27.1	-35.3	0	0	0	113.5	Q84 S88	Q84-P86 WeakPolarHBondContact O-CD 3.38Å; P86-S88 VanDerWaalsContact C-N 3.33Å
87	L	92.1	Very high	96	Very high	158 Å²	158	72.4 Å²	72.4	83%	0.827	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	0.1	178.4	-61.1	179.1	0	0	0	113.2	N85 K89	N85-L87 PolarHBondContact O-N 2.79Å; N85-L87 VanDerWaalsContact O-N 3.1Å; L87-K89 PolarHBondContact O-N 3.4Å
88	S	95.9	Very high	96	Very high	11 Å²	11	71.9 Å²	71.9	8%	0.077	37%	0.369	C	S	.	.			trans	-53	135.8	174.8	179.2	0	0	0	0	111.7	N76 C80 N85 P86 N90	N76-S88 WeakPolarHBondContact O-CB 3.33Å; N76-S88 PolarHBondContact O-OG 2.96Å; C80-S88 WeakPolarHBondContact O-CB 3.43Å; C80-S88 PolarHBondContact O-OG 2.95Å; N85-S88 WeakPolarHBondContact O-CB 3.07Å; N85-S88 PolarHBondContact O-N 3.31Å; N85-S88 VanDerWaalsContact O-N 3.08Å; P86-S88 VanDerWaalsContact C-N 3.33Å; S88-N90 PolarHBondContact O-N 3.29Å; S88-N90 PolarHBondContact OG-N 3.28Å; S88-N90 VanDerWaalsContact OG-N 3.16Å
89	K	96.9	Very high	96.1	Very high	168 Å²	168	69.8 Å²	69.8	73%	0.73	36%	0.355	S	S	*	.			trans	-65.9	-19.9	173.6	-66.3	-176.6	-177.5	176.3	0	112.6	L87 I91	L87-K89 PolarHBondContact O-N 3.4Å; K89-I91 VanDerWaalsContact C-N 3.35Å; K89-I91 HydrophobicContact CB-CG1 4.04Å; K89-I91 PolarHBondContact O-N 2.93Å
90	N	97.9	Very high	96.1	Very high	17 Å²	17	71 Å²	71	9%	0.091	36%	0.362	C	S	.	.			trans	47.5	53.8	-177.1	-170.5	18.1	0	0	0	112.7	C78 W79 C80 R81 S88 C92 N93 T94	C78-N90 PolarHBondContact O-N 3.22Å; C78-N90 VanDerWaalsContact O-N 3.14Å; W79-N90 CarbonylContact O-C 3.57Å; W79-N90 PolarHBondContact O-OD1 3.44Å; C80-N90 WeakPolarHBondContact CA-OD1 3.13Å; R81-N90 HydrophobicContact CB-CB 4.25Å; S88-N90 PolarHBondContact O-N 3.29Å; S88-N90 PolarHBondContact OG-N 3.28Å; S88-N90 VanDerWaalsContact OG-N 3.16Å; N90-C92 PolarHBondContact O-N 3.18Å; N90-N93 WeakPolarHBondContact O-CA 3.31Å; N90-N93 PolarHBondContact O-N 3.33Å; N90-N93 WeakPolarHBondContact OD1-CA 3.5Å; N90-N93 PolarHBondContact OD1-N 2.87Å; N90-T94 PolarHBondContact ND2-N 2.99Å; N90-T94 PolarHBondContact OD1-N 3.47Å; N90-T94 PolarHBondContact OD1-O 3.1Å
91	I	98.5	Very high	95.9	Very high	59 Å²	59	73.5 Å²	73.5	30%	0.303	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.7	-176	-65.4	167.9	0	0	0	111.8	C78 W79 K89 N93 K113 I117	C78-I91 HydrophobicContact CB-CD1 4.3Å; C78-I91 WeakPolarHBondContact O-CG1 3.29Å; C78-I91 PolarHBondContact O-N 3.17Å; W79-I91 HydrophobicContact CE3-CB 3.94Å; W79-I91 HydrophobicContact CE3-CD1 4.21Å; W79-I91 HydrophobicContact CE3-CG2 4.02Å; W79-I91 HydrophobicContact CH2-CD1 4.45Å; W79-I91 HydrophobicContact CZ3-CB 4.21Å; W79-I91 HydrophobicContact CZ3-CD1 4.09Å; W79-I91 HydrophobicContact CZ3-CG2 3.84Å; W79-I91 PolarHBondContact O-N 3.48Å; K89-I91 VanDerWaalsContact C-N 3.35Å; K89-I91 HydrophobicContact CB-CG1 4.04Å; K89-I91 PolarHBondContact O-N 2.93Å; I91-N93 PolarHBondContact O-N 3.17Å; I91-K113 PolarHBondContact O-NZ 3.09Å; I91-K113 VanDerWaalsContact O-NZ 3.1Å; I91-I117 HydrophobicContact CG2-CD1 3.99Å
92	C	98.6	Very high	95.7	Very high	14 Å²	14	68.3 Å²	68.3	10%	0.095	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-13.9	176.8	-64.5	0	0	0	0	112.9	W79 N90 T94 F99 C110 K113	W79-C92 WeakPolarHBondContact O-CB 3.37Å; W79-C92 PolarHBondContact O-N 3.05Å; N90-C92 PolarHBondContact O-N 3.18Å; C92-T94 HydrophobicContact CB-CG2 4.1Å; C92-F99 HydrophobicContact CB-CZ 4.46Å; C92-C110 HydrophobicContact CB-CB 3.7Å; C92-C110 WeakPolarHBondContact CB-SG 3.26Å; C92-C110 WeakPolarHBondContact SG-CA 3.36Å; C92-C110 WeakPolarHBondContact SG-CB 3.49Å; C92-C110 CovalentContact SG-SG 2.02Å; C92-C110 PolarHBondContact SG-SG 3.41Å; C92-K113 PolarHBondContact O-NZ 3.24Å
93	N	97.9	Very high	95.6	Very high	133 Å²	133	71.8 Å²	71.8	71%	0.711	38%	0.376	S	S	*	.			trans	58	45.7	-179.2	-167.3	44	0	0	0	112.4	N90 I91	N90-N93 WeakPolarHBondContact O-CA 3.31Å; N90-N93 PolarHBondContact O-N 3.33Å; N90-N93 WeakPolarHBondContact OD1-CA 3.5Å; N90-N93 PolarHBondContact OD1-N 2.87Å; I91-N93 PolarHBondContact O-N 3.17Å
94	T	97.8	Very high	95.9	Very high	30 Å²	30	64.5 Å²	64.5	18%	0.184	34%	0.337	C	S	.	.	S	Bend	trans	-145.6	166.3	-179.1	-166.4	0	0	0	0	111.2	C80 R81 N90 C92 F99	C80-T94 HydrophobicContact CB-CG2 4.38Å; R81-T94 PolarHBondContact N-O 3.19Å; N90-T94 PolarHBondContact ND2-N 2.99Å; N90-T94 PolarHBondContact OD1-N 3.47Å; N90-T94 PolarHBondContact OD1-O 3.1Å; C92-T94 HydrophobicContact CB-CG2 4.1Å; T94-F99 HydrophobicContact CG2-CE1 3.74Å; T94-F99 HydrophobicContact CG2-CE2 4.2Å; T94-F99 HydrophobicContact CG2-CZ 3.39Å
95	T	98.1	Very high	96.2	Very high	74 Å²	74	61.4 Å²	61.4	45%	0.454	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-84.1	144.8	172.6	53.9	0	0	0	0	110.3	R81 N97 K98	R81-T95 CarbonylContact O-C 3.57Å; R81-T95 VanDerWaalsContact O-CA 3.28Å; R81-T95 WeakPolarHBondContact O-CA 3.46Å; T95-N97 PolarHBondContact O-N 2.87Å; T95-K98 WeakPolarHBondContact O-CB 3.42Å; T95-K98 PolarHBondContact O-N 2.02Å; T95-K98 VanDerWaalsContact O-N 3.09Å
96	C	98.4	Very high	96.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-63.7	-27.7	-178.3	-59.3	0	0	0	0	113.1	Y69 N76 C80 R81 D82 K98 F99	Y69-C96 HydrophobicContact CD1-CB 3.88Å; Y69-C96 HydrophobicContact CD2-CB 3.71Å; Y69-C96 HydrophobicContact CE1-CB 3.82Å; Y69-C96 HydrophobicContact CE2-CB 3.68Å; Y69-C96 HydrophobicContact CG-CB 3.83Å; N76-C96 VanDerWaalsContact CB-SG 3.53Å; C80-C96 HydrophobicContact CB-CB 3.93Å; C80-C96 WeakPolarHBondContact CB-SG 3.42Å; C80-C96 WeakPolarHBondContact SG-CA 3Å; C80-C96 WeakPolarHBondContact SG-CB 3.41Å; C80-C96 CovalentContact SG-SG 2.03Å; C80-C96 PolarHBondContact SG-SG 3.18Å; R81-C96 VanDerWaalsContact C-SG 3.54Å; R81-C96 PolarHBondContact O-N 3.41Å; D82-C96 HydrophobicContact CB-CB 4.22Å; C96-K98 PolarHBondContact O-N 3.44Å; C96-K98 VanDerWaalsContact O-N 3.15Å; C96-F99 PolarHBondContact O-N 2.84Å; C96-F99 VanDerWaalsContact O-N 3.12Å
97	N	97.6	Very high	97	Very high	114 Å²	114	56.7 Å²	56.7	61%	0.61	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-62.7	-18.4	176	-68.6	-10.1	0	0	0	113.7	T95 F99 L100	T95-N97 PolarHBondContact O-N 2.87Å; N97-F99 VanDerWaalsContact C-N 3.27Å; N97-L100 PolarHBondContact O-N 3.33Å
98	K	98.1	Very high	97.3	Very high	95 Å²	95	49.8 Å²	49.8	41%	0.413	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-68	-29.9	175.6	-80	-72.5	-179.3	-179.8	0	112.8	T95 C96 L100 D106	T95-K98 WeakPolarHBondContact O-CB 3.42Å; T95-K98 PolarHBondContact O-N 2.02Å; T95-K98 VanDerWaalsContact O-N 3.09Å; C96-K98 PolarHBondContact O-N 3.44Å; C96-K98 VanDerWaalsContact O-N 3.15Å; K98-L100 PolarHBondContact O-N 3.47Å; K98-L100 VanDerWaalsContact O-N 3.14Å; K98-D106 WeakPolarHBondContact CB-OD2 3.28Å; K98-D106 WeakPolarHBondContact CD-OD2 3.4Å
99	F	98.5	Very high	97.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-76.7	5.4	175.4	-51.8	-36.9	0	0	0	113.7	T57 G70 I74 C80 C92 T94 C96 N97 D107 C110	T57-F99 VanDerWaalsContact O-O 3.11Å; G70-F99 WeakPolarHBondContact CA-O 3.06Å; I74-F99 HydrophobicContact CB-CD2 3.81Å; I74-F99 HydrophobicContact CB-CE2 3.76Å; I74-F99 HydrophobicContact CD1-CD1 4.08Å; I74-F99 HydrophobicContact CD1-CD2 3.95Å; I74-F99 HydrophobicContact CD1-CE1 3.99Å; I74-F99 HydrophobicContact CD1-CE2 3.82Å; I74-F99 HydrophobicContact CD1-CG 4.06Å; I74-F99 HydrophobicContact CD1-CZ 3.86Å; I74-F99 HydrophobicContact CG1-CD2 4.44Å; I74-F99 HydrophobicContact CG1-CE2 4.4Å; I74-F99 HydrophobicContact CG2-CD2 4.01Å; I74-F99 HydrophobicContact CG2-CE2 3.42Å; I74-F99 VanDerWaalsContact CG2-CE2 3.42Å; I74-F99 HydrophobicContact CG2-CZ 4.12Å; C80-F99 HydrophobicContact CB-CD2 4.3Å; C80-F99 HydrophobicContact CB-CE2 3.51Å; C80-F99 HydrophobicContact CB-CZ 4.2Å; C92-F99 HydrophobicContact CB-CZ 4.46Å; T94-F99 HydrophobicContact CG2-CE1 3.74Å; T94-F99 HydrophobicContact CG2-CE2 4.2Å; T94-F99 HydrophobicContact CG2-CZ 3.39Å; C96-F99 PolarHBondContact O-N 2.84Å; C96-F99 VanDerWaalsContact O-N 3.12Å; N97-F99 VanDerWaalsContact C-N 3.27Å; F99-D107 WeakPolarHBondContact CA-OD1 3.27Å; F99-D107 WeakPolarHBondContact CB-OD1 3.38Å; F99-D107 HydrophobicContact CD1-CB 4.36Å; F99-C110 HydrophobicContact CE1-CB 3.99Å; F99-C110 HydrophobicContact CZ-CB 3.77Å
100	L	97.9	Very high	97.6	Very high	35 Å²	35	46.7 Å²	46.7	18%	0.183	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-108.5	13.6	-179.2	-59.5	177.8	0	0	0	112.7	T57 Q58 I60 Y69 N97 K98	T57-L100 WeakPolarHBondContact O-CA 3.42Å; Q58-L100 VanDerWaalsContact CG-O 3.29Å; Q58-L100 WeakPolarHBondContact CG-O 3.22Å; I60-L100 HydrophobicContact CD1-CD1 3.76Å; I60-L100 HydrophobicContact CD1-CD2 4.3Å; I60-L100 HydrophobicContact CG1-CD1 4.15Å; I60-L100 HydrophobicContact CG1-CD2 3.78Å; Y69-L100 HydrophobicContact CD1-CD1 4.04Å; Y69-L100 HydrophobicContact CD1-CD2 4.18Å; Y69-L100 HydrophobicContact CD1-CG 4.19Å; N97-L100 PolarHBondContact O-N 3.33Å; K98-L100 PolarHBondContact O-N 3.47Å; K98-L100 VanDerWaalsContact O-N 3.14Å
101	D	95.2	Very high	97.6	Very high	52 Å²	52	45.9 Å²	45.9	28%	0.278	25%	0.246	S	C	.	.	S	Bend	trans	-111	176	173.7	73.3	45	0	0	0	111.5	T57 D103	T57-D101 WeakPolarHBondContact CB-O 3.06Å; D101-D103 VanDerWaalsContact C-N 3.32Å; D101-D103 WeakPolarHBondContact OD1-CA 3.44Å; D101-D103 WeakPolarHBondContact OD1-CB 2.95Å; D101-D103 PolarHBondContact OD1-N 3.04Å
102	D	91.8	Very high	97.6	Very high	20 Å²	20	45.9 Å²	45.9	11%	0.107	24%	0.244	C	C	.	.	S	Bend	trans	-87.5	-3.1	-176.2	-60.4	-27	0	0	0	113.3	Q18 K30 T57 L104	Q18-D102 WeakPolarHBondContact CB-OD2 3.41Å; Q18-D102 VanDerWaalsContact CG-OD2 3.31Å; Q18-D102 WeakPolarHBondContact CG-OD2 3.33Å; Q18-D102 PolarHBondContact NE2-OD2 3.28Å; K30-D102 PolarHBondContact NZ-O 2.7Å; T57-D102 PolarHBondContact OG1-OD1 3.23Å; D102-L104 PolarHBondContact O-N 3.35Å
103	D	94.9	Very high	97.6	Very high	92 Å²	92	49.1 Å²	49.1	49%	0.492	26%	0.256	S	S	.	.			trans	-87.9	87.1	175	-179	13.3	0	0	0	110.5	D101 T105	D101-D103 VanDerWaalsContact C-N 3.32Å; D101-D103 WeakPolarHBondContact OD1-CA 3.44Å; D101-D103 WeakPolarHBondContact OD1-CB 2.95Å; D101-D103 PolarHBondContact OD1-N 3.04Å; D103-T105 PolarHBondContact O-N 3.09Å; D103-T105 WeakPolarHBondContact OD1-CB 3.37Å; D103-T105 PolarHBondContact OD1-N 2.79Å; D103-T105 VanDerWaalsContact OD1-N 3.16Å; D103-T105 PolarHBondContact OD1-OG1 3.13Å
104	L	97.3	Very high	97.7	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.037	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	6.7	-178.9	-55.1	-178.9	0	0	0	114.6	L22 K30 L31 T57 L71 D102 D106 D107 I108	L22-L104 HydrophobicContact CD1-CD1 4.14Å; K30-L104 HydrophobicContact CB-CD1 4.03Å; K30-L104 HydrophobicContact CD-CD1 4.04Å; L31-L104 HydrophobicContact CD2-CD1 3.98Å; T57-L104 HydrophobicContact CG2-CD2 4.06Å; L71-L104 HydrophobicContact CB-CD2 4.28Å; L71-L104 HydrophobicContact CD2-CD1 3.47Å; L71-L104 VanDerWaalsContact CD2-CD1 3.47Å; L71-L104 HydrophobicContact CD2-CD2 3.91Å; L71-L104 HydrophobicContact CD2-CG 4.36Å; D102-L104 PolarHBondContact O-N 3.35Å; L104-D106 PolarHBondContact O-N 3.02Å; L104-D107 WeakPolarHBondContact CA-OD2 3.33Å; L104-D107 HydrophobicContact CB-CB 4.43Å; L104-I108 HydrophobicContact CB-CD1 4.18Å; L104-I108 HydrophobicContact CB-CG1 4.47Å; L104-I108 VanDerWaalsContact O-CB 3.25Å; L104-I108 WeakPolarHBondContact O-CB 3.37Å; L104-I108 WeakPolarHBondContact O-CD1 3.4Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 2.95Å
105	T	97.6	Very high	97.7	Very high	83 Å²	83	41.3 Å²	41.3	51%	0.509	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-45.1	-176.1	-58.1	0	0	0	0	111.1	D103 M109	D103-T105 PolarHBondContact O-N 3.09Å; D103-T105 WeakPolarHBondContact OD1-CB 3.37Å; D103-T105 PolarHBondContact OD1-N 2.79Å; D103-T105 VanDerWaalsContact OD1-N 3.16Å; D103-T105 PolarHBondContact OD1-OG1 3.13Å; T105-M109 HydrophobicContact CG2-CE 4.24Å; T105-M109 WeakPolarHBondContact O-CG 3.4Å; T105-M109 PolarHBondContact O-N 3.14Å; T105-M109 VanDerWaalsContact O-N 3.15Å
106	D	98.1	Very high	97.7	Very high	29 Å²	29	41 Å²	41	16%	0.155	21%	0.208	C	C	.	.	H	α-helix	trans	-81.1	-30.5	-179.8	63.9	20.4	0	0	0	113.6	K98 L104 M109 C110	K98-D106 WeakPolarHBondContact CB-OD2 3.28Å; K98-D106 WeakPolarHBondContact CD-OD2 3.4Å; L104-D106 PolarHBondContact O-N 3.02Å; D106-M109 HydrophobicContact CB-CE 3.83Å; D106-M109 PolarHBondContact O-N 3.06Å; D106-C110 PolarHBondContact O-N 3.37Å
107	D	98.6	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-53.3	-54.3	164.6	-63.9	-102	0	0	0	111	F72 F99 L104 M109 C110 V111	F72-D107 HydrophobicContact CD2-CB 3.74Å; F72-D107 HydrophobicContact CE2-CB 3.81Å; F99-D107 WeakPolarHBondContact CA-OD1 3.27Å; F99-D107 WeakPolarHBondContact CB-OD1 3.38Å; F99-D107 HydrophobicContact CD1-CB 4.36Å; L104-D107 WeakPolarHBondContact CA-OD2 3.33Å; L104-D107 HydrophobicContact CB-CB 4.43Å; D107-M109 VanDerWaalsContact C-N 3.31Å; D107-M109 PolarHBondContact O-N 2.87Å; D107-C110 CarbonylContact O-C 3.56Å; D107-C110 WeakPolarHBondContact O-CA 3.47Å; D107-C110 WeakPolarHBondContact O-CB 3.35Å; D107-C110 PolarHBondContact O-N 2.74Å; D107-V111 VanDerWaalsContact O-CG2 3.3Å; D107-V111 WeakPolarHBondContact O-CG2 3.37Å; D107-V111 PolarHBondContact O-N 3.36Å
108	I	98.6	Very high	97.7	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.067	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-40.6	-178.3	-76.9	167.6	0	0	0	111	K30 L31 I34 F72 L104 C110 V111 K112	K30-I108 WeakPolarHBondContact O-CD1 3.33Å; L31-I108 HydrophobicContact CD2-CD1 4.12Å; L31-I108 HydrophobicContact CD2-CG1 4.42Å; I34-I108 HydrophobicContact CG2-CB 4.45Å; I34-I108 HydrophobicContact CG2-CG1 4.44Å; I34-I108 HydrophobicContact CG2-CG2 3.53Å; F72-I108 HydrophobicContact CE2-CG1 4.41Å; F72-I108 HydrophobicContact CZ-CG1 4.36Å; L104-I108 HydrophobicContact CB-CD1 4.18Å; L104-I108 HydrophobicContact CB-CG1 4.47Å; L104-I108 VanDerWaalsContact O-CB 3.25Å; L104-I108 WeakPolarHBondContact O-CB 3.37Å; L104-I108 WeakPolarHBondContact O-CD1 3.4Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 2.95Å; I108-C110 VanDerWaalsContact C-N 3.29Å; I108-C110 PolarHBondContact O-N 3.23Å; I108-V111 PolarHBondContact O-N 2.9Å; I108-K112 WeakPolarHBondContact O-CG 3.45Å; I108-K112 PolarHBondContact O-N 3.33Å
109	M	98.6	Very high	97.7	Very high	111 Å²	111	42.5 Å²	42.5	55%	0.547	22%	0.221	S	C	.	.	H	α-helix	trans	-60.7	-40.4	174.2	-75.8	-171.6	-70.6	0	0	111.7	T105 D106 D107 K113	T105-M109 HydrophobicContact CG2-CE 4.24Å; T105-M109 WeakPolarHBondContact O-CG 3.4Å; T105-M109 PolarHBondContact O-N 3.14Å; T105-M109 VanDerWaalsContact O-N 3.15Å; D106-M109 HydrophobicContact CB-CE 3.83Å; D106-M109 PolarHBondContact O-N 3.06Å; D107-M109 VanDerWaalsContact C-N 3.31Å; D107-M109 PolarHBondContact O-N 2.87Å; M109-K113 PolarHBondContact O-N 2.83Å
110	C	98.8	Very high	97.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-70.7	-42.6	177.1	-171.7	0	0	0	0	112	I74 C92 F99 D106 D107 I108 K112 K113 I114	I74-C110 HydrophobicContact CD1-CB 3.99Å; C92-C110 HydrophobicContact CB-CB 3.7Å; C92-C110 WeakPolarHBondContact CB-SG 3.26Å; C92-C110 WeakPolarHBondContact SG-CA 3.36Å; C92-C110 WeakPolarHBondContact SG-CB 3.49Å; C92-C110 CovalentContact SG-SG 2.02Å; C92-C110 PolarHBondContact SG-SG 3.41Å; F99-C110 HydrophobicContact CE1-CB 3.99Å; F99-C110 HydrophobicContact CZ-CB 3.77Å; D106-C110 PolarHBondContact O-N 3.37Å; D107-C110 CarbonylContact O-C 3.56Å; D107-C110 WeakPolarHBondContact O-CA 3.47Å; D107-C110 WeakPolarHBondContact O-CB 3.35Å; D107-C110 PolarHBondContact O-N 2.74Å; I108-C110 VanDerWaalsContact C-N 3.29Å; I108-C110 PolarHBondContact O-N 3.23Å; C110-K112 VanDerWaalsContact C-N 3.3Å; C110-K112 PolarHBondContact O-N 3.22Å; C110-K113 WeakPolarHBondContact O-CA 3.02Å; C110-K113 WeakPolarHBondContact O-CB 3.34Å; C110-K113 PolarHBondContact O-N 3.14Å; C110-I114 WeakPolarHBondContact O-CG1 3.35Å; C110-I114 PolarHBondContact O-N 2.89Å
111	V	98.7	Very high	97.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.7	-43.9	174.6	166.8	0	0	0	0	111.3	I34 W45 F72 I74 D107 I108 K113 I114 L115 W123	I34-V111 HydrophobicContact CD1-CG1 4.45Å; W45-V111 HydrophobicContact CH2-CG1 3.66Å; W45-V111 HydrophobicContact CZ2-CG1 3.92Å; W45-V111 HydrophobicContact CZ3-CG1 4.31Å; F72-V111 HydrophobicContact CB-CG2 3.8Å; F72-V111 HydrophobicContact CD1-CG2 3.56Å; F72-V111 HydrophobicContact CD2-CG2 3.78Å; F72-V111 HydrophobicContact CE1-CG2 3.95Å; F72-V111 HydrophobicContact CE2-CG2 4.13Å; F72-V111 HydrophobicContact CG-CG2 3.43Å; F72-V111 VanDerWaalsContact CG-CG2 3.43Å; F72-V111 HydrophobicContact CZ-CG2 4.19Å; I74-V111 HydrophobicContact CD1-CG2 4.4Å; D107-V111 VanDerWaalsContact O-CG2 3.3Å; D107-V111 WeakPolarHBondContact O-CG2 3.37Å; D107-V111 PolarHBondContact O-N 3.36Å; I108-V111 PolarHBondContact O-N 2.9Å; V111-K113 VanDerWaalsContact C-N 3.34Å; V111-K113 PolarHBondContact O-N 2.77Å; V111-I114 WeakPolarHBondContact O-CB 3.04Å; V111-I114 PolarHBondContact O-N 3.33Å; V111-I114 VanDerWaalsContact O-N 3.17Å; V111-L115 HydrophobicContact CG1-CD1 3.79Å; V111-L115 HydrophobicContact CG1-CG 4.35Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.31Å; V111-L115 PolarHBondContact O-N 2.84Å; V111-W123 HydrophobicContact CG1-CH2 3.97Å; V111-W123 HydrophobicContact CG1-CZ2 4.27Å; V111-W123 HydrophobicContact CG2-CZ2 4.12Å
112	K	98.8	Very high	97.7	Very high	60 Å²	60	45.9 Å²	45.9	26%	0.261	25%	0.249	S	C	.	.	H	α-helix	trans	-58.5	-44.1	175.1	-74.3	179	177.7	178.4	0	112	D33 I34 Y37 I108 C110 I114 L115 D116	D33-K112 WeakPolarHBondContact O-CE 3.43Å; D33-K112 PolarHBondContact O-NZ 3.4Å; I34-K112 HydrophobicContact CG2-CD 4.45Å; I34-K112 HydrophobicContact CG2-CG 4.08Å; Y37-K112 HydrophobicContact CD1-CG 4.05Å; Y37-K112 HydrophobicContact CD2-CD 4.44Å; Y37-K112 HydrophobicContact CD2-CG 4.41Å; Y37-K112 HydrophobicContact CE1-CB 3.91Å; Y37-K112 HydrophobicContact CE1-CG 3.87Å; Y37-K112 HydrophobicContact CE2-CD 4.23Å; Y37-K112 HydrophobicContact CE2-CG 4.25Å; Y37-K112 HydrophobicContact CG-CG 4.31Å; I108-K112 WeakPolarHBondContact O-CG 3.45Å; I108-K112 PolarHBondContact O-N 3.33Å; C110-K112 VanDerWaalsContact C-N 3.3Å; C110-K112 PolarHBondContact O-N 3.22Å; K112-I114 PolarHBondContact O-N 3.23Å; K112-L115 PolarHBondContact O-N 3.12Å; K112-D116 VanDerWaalsContact O-CG 3.3Å; K112-D116 PolarHBondContact O-N 3.37Å
113	K	98.8	Very high	98	Very high	81 Å²	81	45.2 Å²	45.2	35%	0.352	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-42.5	174.9	-67.3	176.4	173.8	-176.7	0	112.1	I91 C92 M109 C110 V111 D116 I117	I91-K113 PolarHBondContact O-NZ 3.09Å; I91-K113 VanDerWaalsContact O-NZ 3.1Å; C92-K113 PolarHBondContact O-NZ 3.24Å; M109-K113 PolarHBondContact O-N 2.83Å; C110-K113 WeakPolarHBondContact O-CA 3.02Å; C110-K113 WeakPolarHBondContact O-CB 3.34Å; C110-K113 PolarHBondContact O-N 3.14Å; V111-K113 VanDerWaalsContact C-N 3.34Å; V111-K113 PolarHBondContact O-N 2.77Å; K113-D116 PolarHBondContact O-N 3.11Å; K113-I117 WeakPolarHBondContact O-CG1 3.38Å; K113-I117 PolarHBondContact O-N 3.18Å; K113-I117 VanDerWaalsContact O-N 3.12Å
114	I	98.8	Very high	98	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-48.1	176.8	-65	168.2	0	0	0	110.1	I74 W79 C110 V111 K112 D116 I117 E118 G119 Y122 W123	I74-I114 HydrophobicContact CG1-CD1 4.18Å; I74-I114 HydrophobicContact CG2-CD1 4.19Å; W79-I114 HydrophobicContact CD2-CD1 4Å; W79-I114 HydrophobicContact CD2-CG1 3.54Å; W79-I114 HydrophobicContact CE3-CD1 4.28Å; W79-I114 HydrophobicContact CE3-CG1 3.45Å; W79-I114 VanDerWaalsContact CE3-CG1 3.45Å; W79-I114 HydrophobicContact CG-CD1 4.21Å; W79-I114 HydrophobicContact CG-CG1 4.27Å; W79-I114 HydrophobicContact CH2-CB 4.13Å; W79-I114 HydrophobicContact CH2-CG1 3.72Å; W79-I114 HydrophobicContact CH2-CG2 4.38Å; W79-I114 HydrophobicContact CZ2-CB 4.32Å; W79-I114 HydrophobicContact CZ2-CG1 3.8Å; W79-I114 HydrophobicContact CZ2-CG2 4.19Å; W79-I114 HydrophobicContact CZ3-CB 4.26Å; W79-I114 HydrophobicContact CZ3-CG1 3.53Å; C110-I114 WeakPolarHBondContact O-CG1 3.35Å; C110-I114 PolarHBondContact O-N 2.89Å; V111-I114 WeakPolarHBondContact O-CB 3.04Å; V111-I114 PolarHBondContact O-N 3.33Å; V111-I114 VanDerWaalsContact O-N 3.17Å; K112-I114 PolarHBondContact O-N 3.23Å; I114-D116 VanDerWaalsContact C-N 3.25Å; I114-D116 PolarHBondContact O-N 3.14Å; I114-I117 PolarHBondContact O-N 3.38Å; I114-E118 HydrophobicContact CG2-CB 4.43Å; I114-E118 PolarHBondContact O-N 3.17Å; I114-G119 PolarHBondContact O-N 3.11Å; I114-G119 VanDerWaalsContact O-N 3.14Å; I114-Y122 HydrophobicContact CD1-CE1 4.32Å; I114-Y122 HydrophobicContact CG2-CD1 3.78Å; I114-Y122 HydrophobicContact CG2-CD2 4.01Å; I114-Y122 HydrophobicContact CG2-CE1 4.5Å; I114-Y122 HydrophobicContact CG2-CG 3.5Å; I114-W123 HydrophobicContact CB-CH2 3.84Å; I114-W123 HydrophobicContact CD1-CH2 4.37Å; I114-W123 HydrophobicContact CD1-CZ2 4.23Å; I114-W123 HydrophobicContact CG2-CH2 3.46Å; I114-W123 VanDerWaalsContact CG2-CH2 3.46Å; I114-W123 HydrophobicContact CG2-CZ2 4.16Å; I114-W123 HydrophobicContact CG2-CZ3 3.77Å
115	L	98.4	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-32.9	178	-69.2	164.1	0	0	0	112.8	Y37 R38 V40 W45 V111 K112 G119 I120 W123	Y37-L115 HydrophobicContact CD1-CB 4.16Å; Y37-L115 HydrophobicContact CD1-CD1 3.63Å; Y37-L115 HydrophobicContact CE1-CB 4.09Å; Y37-L115 HydrophobicContact CE1-CD1 4.27Å; R38-L115 HydrophobicContact CB-CB 4.37Å; R38-L115 HydrophobicContact CG-CB 4.08Å; R38-L115 PolarHBondContact NH2-O 3.22Å; V40-L115 HydrophobicContact CG2-CD2 4.18Å; W45-L115 HydrophobicContact CH2-CD1 4.25Å; W45-L115 HydrophobicContact CH2-CD2 4.23Å; W45-L115 HydrophobicContact CH2-CG 4.5Å; W45-L115 HydrophobicContact CZ2-CD1 3.61Å; W45-L115 HydrophobicContact CZ2-CD2 3.96Å; W45-L115 HydrophobicContact CZ2-CG 4.22Å; V111-L115 HydrophobicContact CG1-CD1 3.79Å; V111-L115 HydrophobicContact CG1-CG 4.35Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.31Å; V111-L115 PolarHBondContact O-N 2.84Å; K112-L115 PolarHBondContact O-N 3.12Å; L115-G119 VanDerWaalsContact O-CA 3.26Å; L115-G119 WeakPolarHBondContact O-CA 3.38Å; L115-G119 PolarHBondContact O-N 3.05Å; L115-I120 HydrophobicContact CD2-CB 4.16Å; L115-I120 HydrophobicContact CD2-CD1 4.11Å; L115-W123 HydrophobicContact CD2-CH2 4.36Å; L115-W123 HydrophobicContact CD2-CZ3 3.69Å; L115-W123 HydrophobicContact CG-CH2 4.24Å; L115-W123 HydrophobicContact CG-CZ3 4.05Å
116	D	98.5	Very high	97.7	Very high	66 Å²	66	42.7 Å²	42.7	35%	0.353	24%	0.237	S	C	.	.	H	α-helix	trans	-71.6	-35.2	177.9	-73.7	-34.6	0	0	0	113.1	Y37 R38 K112 K113 I114	Y37-D116 VanDerWaalsContact OH-CG 3.24Å; Y37-D116 PolarHBondContact OH-OD1 2.86Å; Y37-D116 VanDerWaalsContact OH-OD1 3.09Å; Y37-D116 PolarHBondContact OH-OD2 2.88Å; R38-D116 IonicContact CZ-OD1 3.49Å; R38-D116 IonicContact NE-OD1 3.8Å; R38-D116 IonicContact NH1-OD1 2.79Å; R38-D116 PolarHBondContact NH1-OD1 3.39Å; R38-D116 PolarHBondContact NH2-O 3.48Å; K112-D116 VanDerWaalsContact O-CG 3.3Å; K112-D116 PolarHBondContact O-N 3.37Å; K113-D116 PolarHBondContact O-N 3.11Å; I114-D116 VanDerWaalsContact C-N 3.25Å; I114-D116 PolarHBondContact O-N 3.14Å
117	I	98.3	Very high	97.5	Very high	101 Å²	101	49.6 Å²	49.6	52%	0.518	27%	0.266	S	S	.	.	H	α-helix	trans	-94	-54.8	-174.4	-63.7	169.4	0	0	0	112	W79 I91 K113 I114	W79-I117 HydrophobicContact CH2-CB 4.19Å; W79-I117 HydrophobicContact CH2-CD1 4.26Å; W79-I117 HydrophobicContact CH2-CG2 4.3Å; W79-I117 HydrophobicContact CZ3-CD1 4.1Å; I91-I117 HydrophobicContact CG2-CD1 3.99Å; K113-I117 WeakPolarHBondContact O-CG1 3.38Å; K113-I117 PolarHBondContact O-N 3.18Å; K113-I117 VanDerWaalsContact O-N 3.12Å; I114-I117 PolarHBondContact O-N 3.38Å
118	E	98	Very high	97.3	Very high	121 Å²	121	53.2 Å²	53.2	57%	0.565	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-22.5	-175.4	-60.2	-62.2	155	0	0	112.7	W79 I114	W79-E118 HydrophobicContact CH2-CG 3.95Å; W79-E118 HydrophobicContact CZ2-CG 3.61Å; I114-E118 HydrophobicContact CG2-CB 4.43Å; I114-E118 PolarHBondContact O-N 3.17Å
119	G	98	Very high	97.2	Very high	19 Å²	19	57 Å²	57	20%	0.196	32%	0.316	C	S	.	.			trans	74.5	-175.6	-172.6	0	0	0	0	0	113.4	I114 L115 G121 Y122	I114-G119 PolarHBondContact O-N 3.11Å; I114-G119 VanDerWaalsContact O-N 3.14Å; L115-G119 VanDerWaalsContact O-CA 3.26Å; L115-G119 WeakPolarHBondContact O-CA 3.38Å; L115-G119 PolarHBondContact O-N 3.05Å; G119-G121 PolarHBondContact O-N 3.4Å; G119-G121 VanDerWaalsContact O-N 3.09Å; G119-Y122 PolarHBondContact O-N 2.91Å
120	I	97.4	Very high	97.2	Very high	41 Å²	41	51.7 Å²	51.7	21%	0.21	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-63.7	-16.7	-178	-166.1	55.6	0	0	0	113	V40 W45 L115 Y122 W123 H126	V40-I120 HydrophobicContact CB-CD1 4.45Å; V40-I120 HydrophobicContact CG1-CD1 3.78Å; V40-I120 HydrophobicContact CG1-CG1 4.2Å; V40-I120 HydrophobicContact CG2-CB 3.78Å; V40-I120 HydrophobicContact CG2-CD1 3.85Å; V40-I120 HydrophobicContact CG2-CG1 3.77Å; V40-I120 HydrophobicContact CG2-CG2 4.49Å; W45-I120 HydrophobicContact CH2-CD1 3.79Å; W45-I120 HydrophobicContact CZ2-CD1 3.95Å; W45-I120 HydrophobicContact CZ3-CD1 4.38Å; L115-I120 HydrophobicContact CD2-CB 4.16Å; L115-I120 HydrophobicContact CD2-CD1 4.11Å; I120-Y122 PolarHBondContact O-N 3.35Å; I120-W123 HydrophobicContact CD1-CE3 3.77Å; I120-W123 HydrophobicContact CD1-CZ3 4.24Å; I120-W123 PolarHBondContact O-N 2.87Å; I120-H126 HydrophobicContact CD1-CB 4.3Å; I120-H126 HydrophobicContact CG1-CB 4Å; I120-H126 WeakPolarHBondContact CG1-ND1 3.39Å
121	G	96.7	Very high	96.9	Very high	60 Å²	60	54.3 Å²	54.3	62%	0.619	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-64.8	-13.7	176.3	0	0	0	0	0	115	G119 W123	G119-G121 PolarHBondContact O-N 3.4Å; G119-G121 VanDerWaalsContact O-N 3.09Å; G121-W123 PolarHBondContact O-N 3.17Å
122	Y	97.6	Very high	96.6	Very high	58 Å²	58	60.3 Å²	60.3	23%	0.227	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-57.6	-38.3	170.5	175.1	-92.7	0	0	0	111.5	Q73 S75 W79 I114 G119 I120 S124	Q73-Y122 PolarHBondContact O-OH 2.72Å; Q73-Y122 VanDerWaalsContact O-OH 3.11Å; S75-Y122 WeakPolarHBondContact CB-OH 3.36Å; S75-Y122 PolarHBondContact N-OH 3.28Å; W79-Y122 AromaticContact CD1-CE2 3.92Å; W79-Y122 HydrophobicContact CZ2-CD2 4.49Å; W79-Y122 AromaticContact NE1-CD2 3.91Å; W79-Y122 AromaticContact NE1-CE2 3.21Å; W79-Y122 AromaticContact NE1-CZ 3.8Å; I114-Y122 HydrophobicContact CD1-CE1 4.32Å; I114-Y122 HydrophobicContact CG2-CD1 3.78Å; I114-Y122 HydrophobicContact CG2-CD2 4.01Å; I114-Y122 HydrophobicContact CG2-CE1 4.5Å; I114-Y122 HydrophobicContact CG2-CG 3.5Å; G119-Y122 PolarHBondContact O-N 2.91Å; I120-Y122 PolarHBondContact O-N 3.35Å; Y122-S124 PolarHBondContact O-N 2.03Å
123	W	97.5	Very high	96.4	Very high	6 Å²	6	65.3 Å²	65.3	2%	0.023	36%	0.362	C	S	.	.	S	Bend	trans	-91.3	95.2	176.4	-61	-85	0	0	0	110.2	W45 T48 I52 F72 V111 I114 L115 I120 G121 A125 H126	W45-W123 HydrophobicContact CH2-CD2 4.24Å; W45-W123 AromaticContact CH2-CE3 3.96Å; W45-W123 HydrophobicContact CH2-CE3 3.96Å; W45-W123 AromaticContact CH2-CH2 3.72Å; W45-W123 HydrophobicContact CH2-CH2 3.72Å; W45-W123 HydrophobicContact CH2-CZ2 4.02Å; W45-W123 AromaticContact CH2-CZ3 3.7Å; W45-W123 HydrophobicContact CH2-CZ3 3.7Å; W45-W123 HydrophobicContact CZ3-CD2 4.22Å; W45-W123 HydrophobicContact CZ3-CE3 4.39Å; W45-W123 HydrophobicContact CZ3-CH2 4.36Å; W45-W123 HydrophobicContact CZ3-CZ2 4.21Å; W45-W123 HydrophobicContact CZ3-CZ3 4.46Å; T48-W123 HydrophobicContact CG2-CB 3.68Å; T48-W123 HydrophobicContact CG2-CG 3.94Å; I52-W123 VanDerWaalsContact CD1-CD1 3.5Å; F72-W123 PolarHBondContact O-NE1 3.11Å; V111-W123 HydrophobicContact CG1-CH2 3.97Å; V111-W123 HydrophobicContact CG1-CZ2 4.27Å; V111-W123 HydrophobicContact CG2-CZ2 4.12Å; I114-W123 HydrophobicContact CB-CH2 3.84Å; I114-W123 HydrophobicContact CD1-CH2 4.37Å; I114-W123 HydrophobicContact CD1-CZ2 4.23Å; I114-W123 HydrophobicContact CG2-CH2 3.46Å; I114-W123 VanDerWaalsContact CG2-CH2 3.46Å; I114-W123 HydrophobicContact CG2-CZ2 4.16Å; I114-W123 HydrophobicContact CG2-CZ3 3.77Å; L115-W123 HydrophobicContact CD2-CH2 4.36Å; L115-W123 HydrophobicContact CD2-CZ3 3.69Å; L115-W123 HydrophobicContact CG-CH2 4.24Å; L115-W123 HydrophobicContact CG-CZ3 4.05Å; I120-W123 HydrophobicContact CD1-CE3 3.77Å; I120-W123 HydrophobicContact CD1-CZ3 4.24Å; I120-W123 PolarHBondContact O-N 2.87Å; G121-W123 PolarHBondContact O-N 3.17Å; W123-A125 PolarHBondContact O-N 2.96Å; W123-A125 VanDerWaalsContact O-N 3.11Å; W123-H126 HydrophobicContact CB-CB 4.37Å; W123-H126 WeakPolarHBondContact O-CB 3.41Å; W123-H126 PolarHBondContact O-N 3.03Å
124	S	94.3	Very high	96.3	Very high	102 Å²	102	63.1 Å²	63.1	71%	0.713	35%	0.354	S	S	*	.	H	α-helix	trans	-55.1	-32.7	-178.5	61.6	0	0	0	0	113.7	Y122 H126 A128	Y122-S124 PolarHBondContact O-N 2.03Å; S124-H126 VanDerWaalsContact C-N 3.27Å; S124-H126 PolarHBondContact O-N 2.75Å; S124-A128 PolarHBondContact O-N 2.89Å
125	A	93.7	Very high	96.1	Very high	12 Å²	12	69.7 Å²	69.7	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-33	174.9	0	0	0	0	0	113.1	H51 I52 W123 A128 L129	H51-A125 HydrophobicContact CB-CB 3.96Å; I52-A125 HydrophobicContact CG2-CB 3.68Å; W123-A125 PolarHBondContact O-N 2.96Å; W123-A125 VanDerWaalsContact O-N 3.11Å; A125-A128 PolarHBondContact O-N 3.38Å; A125-L129 WeakPolarHBondContact O-CB 3.26Å; A125-L129 PolarHBondContact O-N 2.98Å
126	H	96.6	Very high	95.9	Very high	14 Å²	14	75.3 Å²	75.3	7%	0.065	41%	0.411	C	S	.	.	H	α-helix	trans	-60.5	-54.1	-178.2	172.4	-85.5	0	0	0	111.2	E44 T48 I120 W123 S124 A128 L129 C130 S131	E44-H126 IonicContact OE1-CD2 3.96Å; E44-H126 IonicContact OE1-CE1 3.45Å; E44-H126 PolarHBondContact OE1-CE1 2.9Å; E44-H126 IonicContact OE1-NE2 2.78Å; E44-H126 PolarHBondContact OE1-NE2 3.36Å; T48-H126 HydrophobicContact CG2-CB 4.25Å; I120-H126 HydrophobicContact CD1-CB 4.3Å; I120-H126 HydrophobicContact CG1-CB 4Å; I120-H126 WeakPolarHBondContact CG1-ND1 3.39Å; W123-H126 HydrophobicContact CB-CB 4.37Å; W123-H126 WeakPolarHBondContact O-CB 3.41Å; W123-H126 PolarHBondContact O-N 3.03Å; S124-H126 VanDerWaalsContact C-N 3.27Å; S124-H126 PolarHBondContact O-N 2.75Å; H126-A128 VanDerWaalsContact C-N 3.27Å; H126-A128 PolarHBondContact O-N 2.85Å; H126-L129 PolarHBondContact O-N 2.99Å; H126-C130 CarbonylContact O-C 3.52Å; H126-C130 WeakPolarHBondContact O-CA 3.13Å; H126-C130 WeakPolarHBondContact O-CB 3.49Å; H126-C130 PolarHBondContact O-N 3.44Å; H126-S131 PolarHBondContact O-N 3.26Å; H126-S131 PolarHBondContact O-OG 3.16Å
127	K	92.4	Very high	95.8	Very high	174 Å²	174	73.2 Å²	73.2	76%	0.757	40%	0.398	S	S	*	.	H	α-helix	trans	-63.3	-35.1	-179.6	-175.3	176	179.8	179.8	0	112.4
128	A	95.2	Very high	95.6	Very high	77 Å²	77	72.5 Å²	72.5	64%	0.636	40%	0.395	S	S	*	.	H	α-helix	trans	-79.5	-34	-176	0	0	0	0	0	113.4	S124 A125 H126	S124-A128 PolarHBondContact O-N 2.89Å; A125-A128 PolarHBondContact O-N 3.38Å; H126-A128 VanDerWaalsContact C-N 3.27Å; H126-A128 PolarHBondContact O-N 2.85Å
129	L	96.8	Very high	95.3	Very high	91 Å²	91	69.1 Å²	69.1	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-130.8	-18.1	-163.5	-57.3	171.9	0	0	0	114	H51 A125 H126	H51-L129 HydrophobicContact CB-CD1 4.13Å; A125-L129 WeakPolarHBondContact O-CB 3.26Å; A125-L129 PolarHBondContact O-N 2.98Å; H126-L129 PolarHBondContact O-N 2.99Å
130	C	97.2	Very high	94.5	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	41%	0.41	C	S	.	.	S	Bend	trans	-126.1	22.9	-165.5	-52.5	0	0	0	0	113.9	C47 T48 H126	C47-C130 HydrophobicContact CB-CB 3.53Å; C47-C130 WeakPolarHBondContact CB-SG 3.25Å; C47-C130 WeakPolarHBondContact SG-CA 3.33Å; C47-C130 WeakPolarHBondContact SG-CB 3.28Å; C47-C130 CovalentContact SG-SG 2.03Å; C47-C130 PolarHBondContact SG-SG 2.9Å; T48-C130 PolarHBondContact N-SG 2.67Å; T48-C130 VanDerWaalsContact N-SG 3.41Å; H126-C130 CarbonylContact O-C 3.52Å; H126-C130 WeakPolarHBondContact O-CA 3.13Å; H126-C130 WeakPolarHBondContact O-CB 3.49Å; H126-C130 PolarHBondContact O-N 3.44Å
131	S	93.1	Very high	93	Very high	57 Å²	57	81.1 Å²	81.1	40%	0.399	44%	0.441	S	S	.	.	S	Bend	trans	-95.4	-14.8	174.5	-56.2	0	0	0	0	113.5	H126	H126-S131 PolarHBondContact O-N 3.26Å; H126-S131 PolarHBondContact O-OG 3.16Å
132	D	93.6	Very high	90.8	Very high	127 Å²	127	87.4 Å²	87.4	68%	0.679	48%	0.476	S	S	*	.	S	Bend	trans	-143.1	169.9	-176.9	-70.4	-43.5	0	0	0	111.3	L134	D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.43Å
133	K	93.9	Very high	90.5	Very high	164 Å²	164	88.9 Å²	88.9	71%	0.713	49%	0.488	S	S	*	.			trans	54.2	45.9	176.7	-58.7	177.8	-177.7	173.7	0	112.6	E135 Q136	K133-E135 VanDerWaalsContact C-N 3.29Å; K133-E135 VanDerWaalsContact C-OE2 3.26Å; K133-E135 WeakPolarHBondContact CA-OE2 3.49Å; K133-E135 PolarHBondContact O-N 3.04Å; K133-Q136 WeakPolarHBondContact O-CG 3.43Å; K133-Q136 PolarHBondContact O-NE2 3.46Å; K133-Q136 VanDerWaalsContact O-NE2 3.16Å
134	L	96	Very high	90.1	Very high	36 Å²	36	93.3 Å²	93.3	19%	0.188	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-78.5	-13.2	-172.4	-66.9	176.3	0	0	0	113.8	P43 E44 D132 Q136 W137	P43-L134 HydrophobicContact CB-CB 4.02Å; E44-L134 HydrophobicContact CG-CD1 3.52Å; E44-L134 HydrophobicContact CG-CD2 3.99Å; E44-L134 HydrophobicContact CG-CG 4.42Å; D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.43Å; L134-Q136 PolarHBondContact O-N 3.08Å; L134-Q136 VanDerWaalsContact O-N 3.17Å; L134-W137 WeakPolarHBondContact O-CB 3.49Å; L134-W137 PolarHBondContact O-N 3.1Å
135	E	95.4	Very high	89.9	Confident	137 Å²	137	92.8 Å²	92.8	64%	0.64	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-61.1	-28.8	-177.6	-58.4	82.5	177.4	0	0	112.3	K133 W137 L138	K133-E135 VanDerWaalsContact C-N 3.29Å; K133-E135 VanDerWaalsContact C-OE2 3.26Å; K133-E135 WeakPolarHBondContact CA-OE2 3.49Å; K133-E135 PolarHBondContact O-N 3.04Å; E135-W137 PolarHBondContact O-N 3.37Å; E135-L138 WeakPolarHBondContact O-CB 3.39Å; E135-L138 PolarHBondContact O-N 3.1Å
136	Q	94.7	Very high	89.7	Confident	118 Å²	118	97.5 Å²	97.5	55%	0.551	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-68.8	-24.5	176.4	72.3	-172.8	-41.7	0	0	113.1	K24 K133 L134 L138	K24-Q136 PolarHBondContact NZ-O 3.13Å; K133-Q136 WeakPolarHBondContact O-CG 3.43Å; K133-Q136 PolarHBondContact O-NE2 3.46Å; K133-Q136 VanDerWaalsContact O-NE2 3.16Å; L134-Q136 PolarHBondContact O-N 3.08Å; L134-Q136 VanDerWaalsContact O-N 3.17Å; Q136-L138 VanDerWaalsContact C-N 3.34Å
137	W	96	Very high	89.2	Confident	22 Å²	22	102.8 Å²	102.8	8%	0.083	55%	0.554	C	S	.	*	G	3₁₀ helix	trans	-87.4	-7.3	-178.2	-58.6	113.7	0	0	0	113	K24 P43 I46 C47 F50 H51 L134 E135	K24-W137 HydrophobicContact CD-CE3 4.4Å; P43-W137 HydrophobicContact CB-CB 4.23Å; I46-W137 HydrophobicContact CB-CB 4.38Å; I46-W137 HydrophobicContact CG2-CB 4.22Å; I46-W137 HydrophobicContact CG2-CE3 4.02Å; C47-W137 HydrophobicContact CB-CD2 3.72Å; C47-W137 HydrophobicContact CB-CE3 4.47Å; C47-W137 HydrophobicContact CB-CG 3.76Å; C47-W137 HydrophobicContact CB-CZ2 4.11Å; C47-W137 VanDerWaalsContact SG-CE2 3.53Å; C47-W137 PolarHBondContact SG-NE1 2.94Å; F50-W137 HydrophobicContact CB-CH2 3.89Å; F50-W137 HydrophobicContact CB-CZ3 3.69Å; F50-W137 AromaticContact CD1-CH2 3.36Å; F50-W137 HydrophobicContact CD1-CH2 3.36Å; F50-W137 HydrophobicContact CD1-CZ2 4.41Å; F50-W137 AromaticContact CD1-CZ3 3.88Å; F50-W137 HydrophobicContact CD1-CZ3 3.88Å; F50-W137 HydrophobicContact CD2-CH2 4.48Å; F50-W137 HydrophobicContact CD2-CZ3 4.22Å; F50-W137 AromaticContact CE1-CH2 3.95Å; F50-W137 HydrophobicContact CE1-CH2 3.95Å; F50-W137 AromaticContact CG-CH2 3.64Å; F50-W137 HydrophobicContact CG-CH2 3.64Å; F50-W137 AromaticContact CG-CZ3 3.65Å; F50-W137 HydrophobicContact CG-CZ3 3.65Å; H51-W137 AromaticContact NE2-CZ2 3.77Å; L134-W137 WeakPolarHBondContact O-CB 3.49Å; L134-W137 PolarHBondContact O-N 3.1Å; E135-W137 PolarHBondContact O-N 3.37Å
138	L	94.3	Very high	89	Confident	87 Å²	87	98 Å²	98	46%	0.455	54%	0.541	S	S	.	.	S	Bend	trans	-66.9	138.2	170.1	-61.7	172.2	0	0	0	110.6	K24 P43 E135 Q136 K140	K24-L138 WeakPolarHBondContact CE-O 3.34Å; K24-L138 PolarHBondContact NZ-O 2.89Å; P43-L138 HydrophobicContact CB-CD2 4.44Å; P43-L138 HydrophobicContact CG-CD2 3.65Å; E135-L138 WeakPolarHBondContact O-CB 3.39Å; E135-L138 PolarHBondContact O-N 3.1Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; L138-K140 PolarHBondContact O-N 3Å
139	C	90.4	Very high	88.6	Confident	50 Å²	50	99.5 Å²	99.5	34%	0.338	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-74.8	119.3	165.7	179.9	0	0	0	0	108.5	C25 P28	C25-C139 HydrophobicContact CB-CB 3.97Å; C25-C139 WeakPolarHBondContact CB-SG 3.46Å; C25-C139 WeakPolarHBondContact SG-CB 3.32Å; C25-C139 CovalentContact SG-SG 2.04Å; C25-C139 PolarHBondContact SG-SG 2.81Å; P28-C139 HydrophobicContact CG-CB 4.36Å
140	K	82.8	Confident	88	Confident	171 Å²	171	100.2 Å²	100.2	74%	0.743	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-85.1	116.2	172.3	-65.6	-176.9	-179.5	-179.5	0	107.6	L138 S142	L138-K140 PolarHBondContact O-N 3Å; K140-S142 PolarHBondContact O-N 2.89Å
141	T	63.9	Low	87.2	Confident	140 Å²	140	108.5 Å²	108.5	86%	0.859	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-62.7	119.5	161.1	38.1	0	0	0	0	107.5
142	S	52.3	Low	86.7	Confident	193 Å²	193	113.2 Å²	113.2	100%	1.35	60%	0.6	S	S	*	*			trans	-70.4	0	172.8	-50.1	0	0	0	0	110.4	K140	K140-S142 PolarHBondContact O-N 2.89Å

Retrieved 142 of 142 residues in 88.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).