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Sperm acrosome membrane-associated protein 3

Sperm surface membrane protein that may be involved in sperm-egg plasma membrane adhesion and fusion during fertilization. It could be a potential receptor for the egg oligosaccharide residue N-acetylglucosamine, which is present in the extracellular matrix over the egg plasma membrane. The processed form has no detectable bacteriolytic activity in vitro.

AlphaFold DB , UniProt , Accession A0A077S9M6, Species MOUSE (Mus musculus, Mouse), Gene Spaca3, Length 163 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	54.7	Low	248 Å²	248	184.6 Å²	184.6	100%	1.222	90%	0.896	S	S	*	*				0	101.9	0	-74.5	177	-178.9	0	0	106.9
2	E	45.9	Very low	55.1	Low	198 Å²	198	183.3 Å²	183.3	93%	0.925	90%	0.895	S	S	*	*			trans	-70.5	137.5	-171	-78.4	157.1	119.7	0	0	112.7
3	A	48.2	Very low	55.5	Low	100 Å²	100	177.1 Å²	177.1	83%	0.826	88%	0.879	S	S	*	*			trans	-73	126.7	178.4	0	0	0	0	0	110.8	S5	A3-S5 PolarHBondContact O-N 3.13Å
4	R	55.8	Low	55.8	Low	248 Å²	248	169.2 Å²	169.2	94%	0.936	85%	0.847	S	S	*	*			trans	-64.8	111.2	169.5	-86.3	175.4	169.3	167.5	-4.2	109.9
5	S	53.5	Low	56.7	Low	119 Å²	119	163.3 Å²	163.3	83%	0.832	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-80	126.1	163.9	102.1	0	0	0	0	108.9	A3	A3-S5 PolarHBondContact O-N 3.13Å
6	R	59.6	Low	57.2	Low	241 Å²	241	156.2 Å²	156.2	91%	0.909	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-99.4	119.7	167.7	-87.8	177.6	175.4	161	-1.6	107.3
7	A	61.9	Low	58	Low	89 Å²	89	154.8 Å²	154.8	74%	0.736	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-63.9	143	171.2	0	0	0	0	0	110.4	R9	A7-R9 PolarHBondContact O-N 3.15Å
8	P	55.2	Low	59	Low	122 Å²	122	149.8 Å²	149.8	79%	0.792	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-70.2	129.1	177.3	6.6	4.5	0	0	0	109.8	R10	P8-R10 PolarHBondContact O-N 3.39Å
9	R	62.3	Low	60	Low	243 Å²	243	150.2 Å²	150.2	92%	0.917	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-61.4	117.8	166.6	-88.1	-177	-178.9	-168.4	0.1	107.8	A7 Q11	A7-R9 PolarHBondContact O-N 3.15Å; R9-Q11 PolarHBondContact O-N 3.26Å
10	R	57.3	Low	61.1	Low	245 Å²	245	149.1 Å²	149.1	93%	0.925	76%	0.762	S	S	*	*			trans	-64.4	101.6	167.3	-67.9	-177.8	179.7	-169.8	-0.3	107.6	P8 L12	P8-R10 PolarHBondContact O-N 3.39Å; R10-L12 PolarHBondContact O-N 3.47Å; R10-L12 VanDerWaalsContact O-N 3.16Å
11	Q	60.3	Low	62.2	Low	178 Å²	178	144.2 Å²	144.2	83%	0.832	74%	0.744	S	S	*	*			trans	-66.5	108.3	164.5	-94.9	170.7	-41.8	0	0	107.2	R9 C13	R9-Q11 PolarHBondContact O-N 3.26Å; Q11-C13 PolarHBondContact O-N 3.46Å
12	L	59.7	Low	64.1	Low	169 Å²	169	136.7 Å²	136.7	89%	0.885	71%	0.708	S	S	*	*			trans	-74.3	84.5	169.6	-154.2	77.7	0	0	0	106.7	R10 P14	R10-L12 PolarHBondContact O-N 3.47Å; R10-L12 VanDerWaalsContact O-N 3.16Å; L12-P14 VanDerWaalsContact O-CD 3.24Å; L12-P14 WeakPolarHBondContact O-CD 3.49Å
13	C	60.5	Low	65.9	Low	102 Å²	102	129.9 Å²	129.9	69%	0.689	69%	0.686	S	S	*	*			trans	-68.9	114.6	167.4	-75	0	0	0	0	107.1	Q11	Q11-C13 PolarHBondContact O-N 3.46Å
14	P	59.5	Low	67.5	Low	67 Å²	67	132.8 Å²	132.8	44%	0.435	68%	0.677	S	S	.	*			trans	-59.3	130.4	171.5	-14.2	28.2	0	0	0	107.2	L12 G16 T18	L12-P14 VanDerWaalsContact O-CD 3.24Å; L12-P14 WeakPolarHBondContact O-CD 3.49Å; P14-G16 PolarHBondContact O-N 2.76Å; P14-T18 WeakPolarHBondContact CB-OG1 3.23Å
15	P	69.5	Low	68.5	Low	81 Å²	81	126.1 Å²	126.1	53%	0.526	66%	0.659	S	S	.	*			trans	-57.3	136.1	-179.7	21.8	-29.4	0	0	0	108.2	I17 T18	P15-I17 PolarHBondContact O-N 2.96Å; P15-T18 HydrophobicContact CG-CG2 3.92Å; P15-T18 WeakPolarHBondContact O-CB 3.49Å; P15-T18 PolarHBondContact O-N 2.05Å; P15-T18 PolarHBondContact O-OG1 2.77Å
16	G	64.6	Low	69.5	Low	49 Å²	49	124.8 Å²	124.8	51%	0.505	64%	0.642	S	S	.	*	H	α-helix	trans	-51.7	-21.7	-175.1	0	0	0	0	0	114.5	P14 T18 W19 L20	P14-G16 PolarHBondContact O-N 2.76Å; G16-T18 VanDerWaalsContact C-N 3.3Å; G16-T18 PolarHBondContact O-N 3.23Å; G16-W19 PolarHBondContact O-N 2.91Å; G16-L20 WeakPolarHBondContact O-CG 3.33Å; G16-L20 PolarHBondContact O-N 2.87Å
17	I	70.8	Confident	69.9	Low	133 Å²	133	116.6 Å²	116.6	68%	0.682	62%	0.622	S	S	*	*	H	α-helix	trans	-56.7	-39.4	170.4	-58.9	169.2	0	0	0	112.2	P15 L20 A21	P15-I17 PolarHBondContact O-N 2.96Å; I17-L20 PolarHBondContact O-N 3.23Å; I17-A21 WeakPolarHBondContact O-CB 3.32Å; I17-A21 PolarHBondContact O-N 3.25Å
18	T	75.3	Confident	69.9	Low	64 Å²	64	115.8 Å²	115.8	39%	0.393	61%	0.61	S	S	.	*	H	α-helix	trans	-67.3	-38.2	178.2	55	0	0	0	0	112.2	P14 P15 G16 L22	P14-T18 WeakPolarHBondContact CB-OG1 3.23Å; P15-T18 HydrophobicContact CG-CG2 3.92Å; P15-T18 WeakPolarHBondContact O-CB 3.49Å; P15-T18 PolarHBondContact O-N 2.05Å; P15-T18 PolarHBondContact O-OG1 2.77Å; G16-T18 VanDerWaalsContact C-N 3.3Å; G16-T18 PolarHBondContact O-N 3.23Å; T18-L22 VanDerWaalsContact O-CB 3.29Å; T18-L22 WeakPolarHBondContact O-CB 3.07Å; T18-L22 PolarHBondContact O-N 3.44Å
19	W	79	Confident	70.2	Confident	157 Å²	157	117 Å²	117	60%	0.595	61%	0.609	S	S	*	*	H	α-helix	trans	-69.9	-38.6	175.3	-74.2	106.2	0	0	0	112.4	G16 L22 A23	G16-W19 PolarHBondContact O-N 2.91Å; W19-L22 HydrophobicContact CE3-CD2 4.36Å; W19-L22 HydrophobicContact CZ3-CD2 4.26Å; W19-L22 PolarHBondContact O-N 3.25Å; W19-A23 VanDerWaalsContact O-CB 3.25Å; W19-A23 WeakPolarHBondContact O-CB 3.34Å; W19-A23 PolarHBondContact O-N 3.49Å
20	L	82.6	Confident	69.9	Low	128 Å²	128	111.7 Å²	111.7	67%	0.67	60%	0.598	S	S	*	*	H	α-helix	trans	-65.7	-42.5	174	-69	171.5	0	0	0	111.8	G16 I17 A23 Y24	G16-L20 WeakPolarHBondContact O-CG 3.33Å; G16-L20 PolarHBondContact O-N 2.87Å; I17-L20 PolarHBondContact O-N 3.23Å; L20-A23 PolarHBondContact O-N 3.28Å; L20-Y24 WeakPolarHBondContact O-CB 3.02Å; L20-Y24 PolarHBondContact O-N 3Å
21	A	82.6	Confident	69.8	Low	48 Å²	48	103.8 Å²	103.8	40%	0.397	59%	0.585	S	S	.	*	H	α-helix	trans	-64.5	-41.7	175.2	0	0	0	0	0	111.9	I17 Y24 L25	I17-A21 WeakPolarHBondContact O-CB 3.32Å; I17-A21 PolarHBondContact O-N 3.25Å; A21-Y24 PolarHBondContact O-N 3.44Å; A21-L25 WeakPolarHBondContact O-CB 3.16Å; A21-L25 WeakPolarHBondContact O-CG 3.31Å; A21-L25 PolarHBondContact O-N 2.03Å
22	L	82.6	Confident	69.6	Low	89 Å²	89	100.8 Å²	100.8	47%	0.466	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-43.6	176.3	-158.3	86.7	0	0	0	111.3	T18 W19 Y24 L25 L26	T18-L22 VanDerWaalsContact O-CB 3.29Å; T18-L22 WeakPolarHBondContact O-CB 3.07Å; T18-L22 PolarHBondContact O-N 3.44Å; W19-L22 HydrophobicContact CE3-CD2 4.36Å; W19-L22 HydrophobicContact CZ3-CD2 4.26Å; W19-L22 PolarHBondContact O-N 3.25Å; L22-Y24 VanDerWaalsContact C-N 3.35Å; L22-L25 PolarHBondContact O-N 2.91Å; L22-L26 HydrophobicContact CD2-CD1 4.18Å; L22-L26 HydrophobicContact CG-CD1 4.1Å; L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 WeakPolarHBondContact O-CD1 3.34Å; L22-L26 WeakPolarHBondContact O-CG 3.02Å; L22-L26 PolarHBondContact O-N 3.04Å
23	A	82.9	Confident	69.7	Low	56 Å²	56	95.6 Å²	95.6	46%	0.463	56%	0.562	S	S	.	*	H	α-helix	trans	-64.4	-38.2	177.1	0	0	0	0	0	112.3	W19 L20 L26 S27	W19-A23 VanDerWaalsContact O-CB 3.25Å; W19-A23 WeakPolarHBondContact O-CB 3.34Å; W19-A23 PolarHBondContact O-N 3.49Å; L20-A23 PolarHBondContact O-N 3.28Å; A23-L26 PolarHBondContact O-N 3.32Å; A23-S27 WeakPolarHBondContact O-CB 3.26Å; A23-S27 PolarHBondContact O-N 2.96Å; A23-S27 PolarHBondContact O-OG 3.37Å
24	Y	81.4	Confident	70.1	Confident	161 Å²	161	99.5 Å²	99.5	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-66.3	-43	174	179.8	-98.3	0	0	0	112.3	L20 A21 L22 S27 C28	L20-Y24 WeakPolarHBondContact O-CB 3.02Å; L20-Y24 PolarHBondContact O-N 3Å; A21-Y24 PolarHBondContact O-N 3.44Å; L22-Y24 VanDerWaalsContact C-N 3.35Å; Y24-S27 PolarHBondContact O-N 3.04Å; Y24-S27 PolarHBondContact O-OG 2.86Å; Y24-C28 PolarHBondContact O-N 3.34Å; Y24-C28 PolarHBondContact O-SG 3.34Å
25	L	77.5	Confident	70.9	Confident	108 Å²	108	98.8 Å²	98.8	57%	0.565	57%	0.567	S	S	*	*	H	α-helix	trans	-63.7	-42.7	175	-74.1	165.6	0	0	0	111.6	A21 L22 C28 L29	A21-L25 WeakPolarHBondContact O-CB 3.16Å; A21-L25 WeakPolarHBondContact O-CG 3.31Å; A21-L25 PolarHBondContact O-N 2.03Å; L22-L25 PolarHBondContact O-N 2.91Å; L25-C28 PolarHBondContact O-N 2.88Å; L25-L29 WeakPolarHBondContact O-CD1 3.35Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 3.34Å
26	L	74	Confident	72.1	Confident	91 Å²	91	97.6 Å²	97.6	48%	0.476	55%	0.554	S	S	.	*	H	α-helix	trans	-63.7	-36.6	175.3	-84.6	155.4	0	0	0	112.6	L22 A23 L29 L30	L22-L26 HydrophobicContact CD2-CD1 4.18Å; L22-L26 HydrophobicContact CG-CD1 4.1Å; L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 WeakPolarHBondContact O-CD1 3.34Å; L22-L26 WeakPolarHBondContact O-CG 3.02Å; L22-L26 PolarHBondContact O-N 3.04Å; A23-L26 PolarHBondContact O-N 3.32Å; L26-L29 PolarHBondContact O-N 3.34Å; L26-L30 WeakPolarHBondContact O-CG 3.4Å; L26-L30 PolarHBondContact O-N 3.11Å
27	S	69.6	Low	73.7	Confident	68 Å²	68	99.7 Å²	99.7	48%	0.476	56%	0.556	S	S	.	*	H	α-helix	trans	-72	-35.8	177.2	67.8	0	0	0	0	112.5	A23 Y24 L29 L30	A23-S27 WeakPolarHBondContact O-CB 3.26Å; A23-S27 PolarHBondContact O-N 2.96Å; A23-S27 PolarHBondContact O-OG 3.37Å; Y24-S27 PolarHBondContact O-N 3.04Å; Y24-S27 PolarHBondContact O-OG 2.86Å; S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 3Å; S27-L30 PolarHBondContact O-N 2.82Å
28	C	62	Low	75	Confident	73 Å²	73	93.6 Å²	93.6	49%	0.493	53%	0.525	S	S	.	.	H	α-helix	trans	-62.6	-33	171.1	-73.6	0	0	0	0	112.8	Y24 L25 L30	Y24-C28 PolarHBondContact O-N 3.34Å; Y24-C28 PolarHBondContact O-SG 3.34Å; L25-C28 PolarHBondContact O-N 2.88Å; C28-L30 VanDerWaalsContact C-N 3.3Å; C28-L30 PolarHBondContact O-N 3.35Å
29	L	60.9	Low	76.1	Confident	147 Å²	147	93.7 Å²	93.7	77%	0.77	53%	0.528	S	S	*	.	H	α-helix	trans	-72.6	-20.9	177.2	-78.3	154.6	0	0	0	113.4	L25 L26 S27	L25-L29 WeakPolarHBondContact O-CD1 3.35Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 3.34Å; L26-L29 PolarHBondContact O-N 3.34Å; S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 3Å
30	L	55.3	Low	77	Confident	132 Å²	132	90 Å²	90	69%	0.691	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	12.3	-175.6	-71.9	168.5	0	0	0	113.7	L26 S27 C28 S32	L26-L30 WeakPolarHBondContact O-CG 3.4Å; L26-L30 PolarHBondContact O-N 3.11Å; S27-L30 PolarHBondContact O-N 2.82Å; C28-L30 VanDerWaalsContact C-N 3.3Å; C28-L30 PolarHBondContact O-N 3.35Å; L30-S32 PolarHBondContact O-N 3.29Å
31	A	56.3	Low	77.8	Confident	79 Å²	79	85.7 Å²	85.7	65%	0.653	49%	0.494	S	S	*	.			trans	-68.2	80.5	169.6	0	0	0	0	0	109.2	S33	A31-S33 VanDerWaalsContact C-N 3.33Å; A31-S33 PolarHBondContact O-N 3.05Å
32	S	55	Low	78.5	Confident	114 Å²	114	87 Å²	87	80%	0.797	49%	0.492	S	S	*	.			trans	-58.7	101.6	162.6	-63.9	0	0	0	0	106.8	L30 K34	L30-S32 PolarHBondContact O-N 3.29Å; S32-K34 PolarHBondContact O-N 3.35Å
33	S	61.9	Low	79.3	Confident	60 Å²	60	82.8 Å²	82.8	42%	0.42	47%	0.47	S	S	.	.			trans	-61.3	114.7	172.3	52.2	0	0	0	0	107	A31 A35	A31-S33 VanDerWaalsContact C-N 3.33Å; A31-S33 PolarHBondContact O-N 3.05Å; S33-A35 PolarHBondContact O-N 3.42Å
34	K	68.3	Low	80	Confident	184 Å²	184	80.1 Å²	80.1	80%	0.8	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-58	129.9	165.7	-70.5	-169.1	178.7	-176.8	0	106.7	S32 K36 N120	S32-K34 PolarHBondContact O-N 3.35Å; K34-K36 PolarHBondContact O-N 2.97Å; K34-N120 PolarHBondContact O-ND2 3.36Å; K34-N120 PolarHBondContact O-OD1 3.41Å
35	A	77.4	Confident	80.9	Confident	53 Å²	53	76.4 Å²	76.4	44%	0.438	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-48.5	130.5	176.8	0	0	0	0	0	110.2	S33 N76	S33-A35 PolarHBondContact O-N 3.42Å; A35-N76 HydrophobicContact CB-CB 3.53Å
36	K	94.6	Very high	81.9	Confident	56 Å²	56	74.2 Å²	74.2	24%	0.243	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-98.1	128.2	179.4	-175.6	169.8	-178.8	-179.3	0	109.5	K34 F38 E42 T75 N120	K34-K36 PolarHBondContact O-N 2.97Å; K36-F38 HydrophobicContact CD-CD1 4.49Å; K36-F38 HydrophobicContact CD-CD2 4.12Å; K36-F38 HydrophobicContact CD-CE1 4.02Å; K36-F38 HydrophobicContact CD-CE2 3.6Å; K36-F38 HydrophobicContact CD-CZ 3.56Å; K36-F38 HydrophobicContact CG-CD2 4Å; K36-F38 HydrophobicContact CG-CE2 3.92Å; K36-F38 HydrophobicContact CG-CZ 4.35Å; K36-E42 WeakPolarHBondContact CE-OE1 3.26Å; K36-E42 IonicContact NZ-OE1 3.8Å; K36-E42 PolarHBondContact NZ-OE1 3.16Å; K36-T75 HydrophobicContact CB-CG2 4.29Å; K36-T75 PolarHBondContact N-OG1 3.12Å; K36-T75 PolarHBondContact O-N 3Å; K36-T75 PolarHBondContact O-OG1 3.45Å; K36-T75 VanDerWaalsContact O-OG1 3.12Å; K36-N120 HydrophobicContact CB-CB 4.05Å; K36-N120 WeakPolarHBondContact CB-OD1 3.32Å; K36-N120 HydrophobicContact CD-CB 4.35Å; K36-N120 PolarHBondContact N-OD1 2.94Å
37	V	98	Very high	83	Confident	92 Å²	92	69.9 Å²	69.9	56%	0.558	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-109.1	112.7	165.7	-175.6	0	0	0	0	106.4	F73 N74	V37-F73 WeakPolarHBondContact CA-O 3.28Å; V37-F73 HydrophobicContact CG1-CB 4.41Å; V37-N74 HydrophobicContact CG2-CB 4.02Å
38	F	98.2	Very high	84.4	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.026	39%	0.394	C	S	.	.			trans	-73.3	149	-179.1	-78.5	-96	0	0	0	111.3	K36 E42 L43 E46 F73 T75 I90 L122	K36-F38 HydrophobicContact CD-CD1 4.49Å; K36-F38 HydrophobicContact CD-CD2 4.12Å; K36-F38 HydrophobicContact CD-CE1 4.02Å; K36-F38 HydrophobicContact CD-CE2 3.6Å; K36-F38 HydrophobicContact CD-CZ 3.56Å; K36-F38 HydrophobicContact CG-CD2 4Å; K36-F38 HydrophobicContact CG-CE2 3.92Å; K36-F38 HydrophobicContact CG-CZ 4.35Å; F38-E42 HydrophobicContact CD1-CB 4.13Å; F38-E42 HydrophobicContact CD1-CG 3.64Å; F38-E42 HydrophobicContact CE1-CG 4.05Å; F38-L43 HydrophobicContact CB-CB 3.85Å; F38-L43 HydrophobicContact CB-CD1 4.45Å; F38-L43 HydrophobicContact CD1-CB 4.34Å; F38-L43 HydrophobicContact CD1-CD1 4.41Å; F38-L43 HydrophobicContact CD2-CD1 4.34Å; F38-L43 HydrophobicContact CG-CB 4.25Å; F38-L43 HydrophobicContact CG-CD1 4.17Å; F38-E46 HydrophobicContact CE1-CG 3.72Å; F38-E46 HydrophobicContact CZ-CG 4.32Å; F38-F73 HydrophobicContact CB-CB 4.18Å; F38-F73 PolarHBondContact N-O 2.99Å; F38-F73 VanDerWaalsContact O-CB 3.3Å; F38-F73 WeakPolarHBondContact O-CB 3.44Å; F38-F73 WeakPolarHBondContact O-CD2 3.31Å; F38-T75 HydrophobicContact CD2-CG2 3.86Å; F38-T75 HydrophobicContact CE2-CG2 3.53Å; F38-I90 HydrophobicContact CD2-CD1 4.18Å; F38-L122 HydrophobicContact CE1-CD1 4.43Å; F38-L122 HydrophobicContact CE2-CD1 3.9Å; F38-L122 HydrophobicContact CE2-CD2 3.78Å; F38-L122 HydrophobicContact CE2-CG 3.91Å; F38-L122 HydrophobicContact CZ-CD1 3.81Å; F38-L122 HydrophobicContact CZ-CD2 4.3Å; F38-L122 HydrophobicContact CZ-CG 3.92Å
39	S	98.3	Very high	86.1	Confident	66 Å²	66	71.2 Å²	71.2	46%	0.462	39%	0.393	S	S	.	.			trans	-75.8	161.2	158.6	74.1	0	0	0	0	110.7	C41 E42 L43	S39-C41 PolarHBondContact O-N 3.44Å; S39-E42 PolarHBondContact N-OE2 2.97Å; S39-E42 PolarHBondContact O-N 3.16Å; S39-E42 WeakPolarHBondContact OG-CB 3.4Å; S39-E42 PolarHBondContact OG-N 3.48Å; S39-L43 WeakPolarHBondContact O-CB 3.16Å; S39-L43 PolarHBondContact O-N 3.42Å
40	R	98.4	Very high	87.9	Confident	79 Å²	79	67.6 Å²	67.6	30%	0.298	37%	0.371	S	S	.	.	H	α-helix	trans	-52.8	-53.3	-179.6	-177.9	176.3	64.3	79.8	-5.1	112.7	L43 A44 V64 F73 D156 W157 D159 C161	R40-L43 PolarHBondContact O-N 3.46Å; R40-A44 WeakPolarHBondContact O-CB 3.17Å; R40-A44 PolarHBondContact O-N 3.4Å; R40-V64 HydrophobicContact CG-CG1 4Å; R40-F73 HydrophobicContact CB-CE2 4.1Å; R40-F73 HydrophobicContact CB-CZ 4.36Å; R40-F73 HydrophobicContact CG-CZ 4.49Å; R40-D156 PolarHBondContact NH1-O 2.96Å; R40-W157 VanDerWaalsContact CD-O 3.23Å; R40-W157 WeakPolarHBondContact CD-O 3.41Å; R40-W157 HydrophobicContact CG-CE3 4.4Å; R40-W157 WeakPolarHBondContact CG-O 3.47Å; R40-W157 PolarHBondContact NH1-O 3.45Å; R40-D159 VanDerWaalsContact CZ-O 3.31Å; R40-D159 PolarHBondContact NH1-O 2.66Å; R40-D159 PolarHBondContact NH2-O 3.34Å; R40-C161 PolarHBondContact NH1-SG 3.18Å
41	C	98.6	Very high	89.9	Confident	37 Å²	37	63.4 Å²	63.4	25%	0.25	36%	0.361	C	S	.	.	H	α-helix	trans	-75.7	-31.2	-177.1	-66	0	0	0	0	113.6	S39 L43 A44 K45 C161	S39-C41 PolarHBondContact O-N 3.44Å; C41-L43 VanDerWaalsContact C-N 3.32Å; C41-A44 PolarHBondContact O-N 2.89Å; C41-K45 WeakPolarHBondContact O-CB 3.48Å; C41-K45 PolarHBondContact O-N 3.31Å; C41-C161 WeakPolarHBondContact CA-SG 3.48Å; C41-C161 HydrophobicContact CB-CB 3.61Å; C41-C161 WeakPolarHBondContact CB-SG 3.24Å; C41-C161 WeakPolarHBondContact SG-CA 3.39Å; C41-C161 WeakPolarHBondContact SG-CB 3.45Å; C41-C161 CovalentContact SG-SG 2.05Å; C41-C161 PolarHBondContact SG-SG 3.42Å
42	E	98.3	Very high	92	Very high	77 Å²	77	59.7 Å²	59.7	36%	0.36	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-43.1	172.4	-171.1	-168.9	179	0	0	110.7	K36 F38 S39 K45 E46	K36-E42 WeakPolarHBondContact CE-OE1 3.26Å; K36-E42 IonicContact NZ-OE1 3.8Å; K36-E42 PolarHBondContact NZ-OE1 3.16Å; F38-E42 HydrophobicContact CD1-CB 4.13Å; F38-E42 HydrophobicContact CD1-CG 3.64Å; F38-E42 HydrophobicContact CE1-CG 4.05Å; S39-E42 PolarHBondContact N-OE2 2.97Å; S39-E42 PolarHBondContact O-N 3.16Å; S39-E42 WeakPolarHBondContact OG-CB 3.4Å; S39-E42 PolarHBondContact OG-N 3.48Å; E42-K45 PolarHBondContact O-N 3.46Å; E42-E46 WeakPolarHBondContact O-CG 3.07Å; E42-E46 PolarHBondContact O-N 3.12Å; E42-E46 VanDerWaalsContact O-N 3.09Å
43	L	98.4	Very high	94	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.6	-43.4	176.3	-174.5	59.1	0	0	0	112.3	F38 S39 R40 C41 K45 E46 M47 A67 F73 I90 L122	F38-L43 HydrophobicContact CB-CB 3.85Å; F38-L43 HydrophobicContact CB-CD1 4.45Å; F38-L43 HydrophobicContact CD1-CB 4.34Å; F38-L43 HydrophobicContact CD1-CD1 4.41Å; F38-L43 HydrophobicContact CD2-CD1 4.34Å; F38-L43 HydrophobicContact CG-CB 4.25Å; F38-L43 HydrophobicContact CG-CD1 4.17Å; S39-L43 WeakPolarHBondContact O-CB 3.16Å; S39-L43 PolarHBondContact O-N 3.42Å; R40-L43 PolarHBondContact O-N 3.46Å; C41-L43 VanDerWaalsContact C-N 3.32Å; L43-K45 VanDerWaalsContact C-N 3.28Å; L43-K45 PolarHBondContact O-N 3.11Å; L43-E46 PolarHBondContact O-N 3.45Å; L43-M47 HydrophobicContact CD1-CE 3.93Å; L43-M47 HydrophobicContact CD1-CG 4.25Å; L43-M47 HydrophobicContact CD1-SD 4.39Å; L43-M47 HydrophobicContact CD2-CE 3.81Å; L43-M47 HydrophobicContact CD2-SD 4.43Å; L43-M47 HydrophobicContact CG-CE 3.76Å; L43-M47 HydrophobicContact CG-CG 4.32Å; L43-M47 HydrophobicContact CG-SD 3.93Å; L43-M47 WeakPolarHBondContact O-CB 3.38Å; L43-M47 VanDerWaalsContact O-CG 3.31Å; L43-M47 WeakPolarHBondContact O-CG 3.48Å; L43-M47 PolarHBondContact O-N 3.07Å; L43-A67 HydrophobicContact CD2-CB 3.57Å; L43-F73 HydrophobicContact CD2-CD1 3.33Å; L43-F73 HydrophobicContact CD2-CE1 3.65Å; L43-F73 HydrophobicContact CD2-CG 4.14Å; L43-I90 HydrophobicContact CD1-CD1 3.48Å; L43-I90 VanDerWaalsContact CD1-CD1 3.48Å; L43-I90 HydrophobicContact CD2-CD1 3.88Å; L43-I90 HydrophobicContact CG-CD1 4.36Å; L43-L122 HydrophobicContact CD1-CD1 3.37Å
44	A	98.7	Very high	95.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-55.8	-46.4	176.1	0	0	0	0	0	110.8	R40 C41 M47 H48 L60 V64 V158 F163	R40-A44 WeakPolarHBondContact O-CB 3.17Å; R40-A44 PolarHBondContact O-N 3.4Å; C41-A44 PolarHBondContact O-N 2.89Å; A44-M47 PolarHBondContact O-N 3.16Å; A44-H48 WeakPolarHBondContact O-CB 3.41Å; A44-H48 PolarHBondContact O-N 3.26Å; A44-L60 HydrophobicContact CB-CD2 4.13Å; A44-V64 HydrophobicContact CB-CG2 3.84Å; A44-V158 HydrophobicContact CB-CG1 4.34Å; A44-F163 HydrophobicContact CB-CE1 3.98Å; A44-F163 HydrophobicContact CB-CZ 4.3Å
45	K	98.6	Very high	97.2	Very high	82 Å²	82	51.6 Å²	51.6	36%	0.357	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-48.9	176.6	-175.8	-179.6	-175	-57.3	0	112.3	C41 E42 L43 M47 H48 D49 F163	C41-K45 WeakPolarHBondContact O-CB 3.48Å; C41-K45 PolarHBondContact O-N 3.31Å; E42-K45 PolarHBondContact O-N 3.46Å; L43-K45 VanDerWaalsContact C-N 3.28Å; L43-K45 PolarHBondContact O-N 3.11Å; K45-M47 PolarHBondContact O-N 3.03Å; K45-H48 WeakPolarHBondContact O-CB 3.4Å; K45-H48 PolarHBondContact O-N 2.97Å; K45-D49 IonicContact NZ-OD1 2.66Å; K45-D49 IonicContact NZ-OD2 3.16Å; K45-D49 PolarHBondContact NZ-OD2 3.2Å; K45-D49 VanDerWaalsContact O-CG 3.23Å; K45-D49 PolarHBondContact O-N 3.33Å; K45-F163 HydrophobicContact CB-CB 4.11Å; K45-F163 HydrophobicContact CB-CD1 3.77Å; K45-F163 HydrophobicContact CB-CD2 4.42Å; K45-F163 HydrophobicContact CB-CE1 4.29Å; K45-F163 HydrophobicContact CB-CG 3.85Å; K45-F163 HydrophobicContact CD-CB 3.72Å; K45-F163 HydrophobicContact CD-CG 4.39Å; K45-F163 HydrophobicContact CG-CB 3.66Å; K45-F163 HydrophobicContact CG-CD1 4.26Å; K45-F163 HydrophobicContact CG-CD2 4.27Å; K45-F163 HydrophobicContact CG-CG 3.82Å
46	E	98.2	Very high	98.2	Very high	62 Å²	62	56.2 Å²	56.2	29%	0.29	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-49.2	177.1	-72.6	-70.7	147.4	0	0	111.3	F38 E42 L43 H48 D49 F50 L122	F38-E46 HydrophobicContact CE1-CG 3.72Å; F38-E46 HydrophobicContact CZ-CG 4.32Å; E42-E46 WeakPolarHBondContact O-CG 3.07Å; E42-E46 PolarHBondContact O-N 3.12Å; E42-E46 VanDerWaalsContact O-N 3.09Å; L43-E46 PolarHBondContact O-N 3.45Å; E46-H48 VanDerWaalsContact C-N 3.28Å; E46-H48 PolarHBondContact O-N 3.4Å; E46-D49 PolarHBondContact O-N 3.21Å; E46-D49 VanDerWaalsContact O-N 3.12Å; E46-F50 WeakPolarHBondContact O-CD2 3.46Å; E46-F50 PolarHBondContact O-N 3.4Å; E46-L122 HydrophobicContact CB-CD1 4.12Å
47	M	98.6	Very high	98.4	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-38.2	179	-71.9	174.9	164.7	0	0	112.6	L43 A44 K45 F50 G51 L52 L60 W63 V64 A67 F91	L43-M47 HydrophobicContact CD1-CE 3.93Å; L43-M47 HydrophobicContact CD1-CG 4.25Å; L43-M47 HydrophobicContact CD1-SD 4.39Å; L43-M47 HydrophobicContact CD2-CE 3.81Å; L43-M47 HydrophobicContact CD2-SD 4.43Å; L43-M47 HydrophobicContact CG-CE 3.76Å; L43-M47 HydrophobicContact CG-CG 4.32Å; L43-M47 HydrophobicContact CG-SD 3.93Å; L43-M47 WeakPolarHBondContact O-CB 3.38Å; L43-M47 VanDerWaalsContact O-CG 3.31Å; L43-M47 WeakPolarHBondContact O-CG 3.48Å; L43-M47 PolarHBondContact O-N 3.07Å; A44-M47 PolarHBondContact O-N 3.16Å; K45-M47 PolarHBondContact O-N 3.03Å; M47-F50 PolarHBondContact O-N 3.22Å; M47-G51 PolarHBondContact O-N 2.86Å; M47-L52 HydrophobicContact CB-CB 4.39Å; M47-L52 HydrophobicContact CB-CD1 4.02Å; M47-L52 HydrophobicContact CG-CD1 3.96Å; M47-L52 WeakPolarHBondContact O-CB 3.36Å; M47-L52 PolarHBondContact O-N 3.37Å; M47-L60 HydrophobicContact CB-CD1 3.51Å; M47-W63 HydrophobicContact CE-CB 4Å; M47-W63 WeakPolarHBondContact CE-O 3.41Å; M47-W63 HydrophobicContact SD-CB 3.56Å; M47-W63 VanDerWaalsContact SD-CB 3.56Å; M47-V64 HydrophobicContact SD-CG2 3.76Å; M47-A67 HydrophobicContact CE-CB 3.86Å; M47-F91 HydrophobicContact CE-CE1 3.5Å; M47-F91 VanDerWaalsContact CE-CE1 3.5Å; M47-F91 HydrophobicContact CE-CZ 3.6Å
48	H	98.5	Very high	98.4	Very high	81 Å²	81	54.8 Å²	54.8	38%	0.375	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-47.9	173.1	170	-87	0	0	0	111.2	A44 K45 E46 F50 G51 L60 F163	A44-H48 WeakPolarHBondContact O-CB 3.41Å; A44-H48 PolarHBondContact O-N 3.26Å; K45-H48 WeakPolarHBondContact O-CB 3.4Å; K45-H48 PolarHBondContact O-N 2.97Å; E46-H48 VanDerWaalsContact C-N 3.28Å; E46-H48 PolarHBondContact O-N 3.4Å; H48-F50 PolarHBondContact O-N 2.85Å; H48-G51 WeakPolarHBondContact O-CA 3.31Å; H48-G51 PolarHBondContact O-N 3.2Å; H48-L60 HydrophobicContact CB-CD1 4.24Å; H48-L60 HydrophobicContact CB-CD2 3.97Å; H48-F163 HydrophobicContact CB-CD2 4.23Å; H48-F163 HydrophobicContact CB-CE2 3.52Å; H48-F163 HydrophobicContact CB-CZ 4.16Å; H48-F163 AromaticContact CD2-CE2 3.82Å; H48-F163 AromaticContact CG-CD2 3.99Å; H48-F163 AromaticContact CG-CE2 3.48Å; H48-F163 VanDerWaalsContact CG-CE2 3.48Å; H48-F163 AromaticContact ND1-CE2 3.97Å
49	D	98.4	Very high	98.4	Very high	89 Å²	89	58.3 Å²	58.3	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-28.4	179.9	-67.3	-12.8	0	0	0	112	K45 E46 G51	K45-D49 IonicContact NZ-OD1 2.66Å; K45-D49 IonicContact NZ-OD2 3.16Å; K45-D49 PolarHBondContact NZ-OD2 3.2Å; K45-D49 VanDerWaalsContact O-CG 3.23Å; K45-D49 PolarHBondContact O-N 3.33Å; E46-D49 PolarHBondContact O-N 3.21Å; E46-D49 VanDerWaalsContact O-N 3.12Å; D49-G51 VanDerWaalsContact C-N 3.31Å
50	F	98.2	Very high	98.4	Very high	70 Å²	70	55.6 Å²	55.6	31%	0.307	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-1.3	171	-80.4	-74.3	0	0	0	114.7	E46 M47 H48 L122 K123 I126	E46-F50 WeakPolarHBondContact O-CD2 3.46Å; E46-F50 PolarHBondContact O-N 3.4Å; M47-F50 PolarHBondContact O-N 3.22Å; H48-F50 PolarHBondContact O-N 2.85Å; F50-L122 HydrophobicContact CE2-CB 4.42Å; F50-K123 HydrophobicContact CE1-CB 3.87Å; F50-K123 HydrophobicContact CE1-CG 4.13Å; F50-K123 HydrophobicContact CZ-CB 3.89Å; F50-I126 HydrophobicContact CB-CD1 3.77Å; F50-I126 HydrophobicContact CB-CG2 4.06Å; F50-I126 HydrophobicContact CD1-CD1 4.31Å; F50-I126 HydrophobicContact CD2-CD1 3.27Å; F50-I126 HydrophobicContact CE2-CD1 3.9Å; F50-I126 HydrophobicContact CG-CD1 3.53Å; F50-I126 HydrophobicContact CG-CG2 4.35Å
51	G	98.1	Very high	98.4	Very high	45 Å²	45	52 Å²	52	46%	0.464	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	30.5	175.3	0	0	0	0	0	114.5	M47 H48 D49	M47-G51 PolarHBondContact O-N 2.86Å; H48-G51 WeakPolarHBondContact O-CA 3.31Å; H48-G51 PolarHBondContact O-N 3.2Å; D49-G51 VanDerWaalsContact C-N 3.31Å
52	L	98.6	Very high	98.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.28	C	S	.	.			trans	-78.7	-20	176.9	-70.9	-177.1	0	0	0	113.8	M47 G54 Y55 W63 I126 M130	M47-L52 HydrophobicContact CB-CB 4.39Å; M47-L52 HydrophobicContact CB-CD1 4.02Å; M47-L52 HydrophobicContact CG-CD1 3.96Å; M47-L52 WeakPolarHBondContact O-CB 3.36Å; M47-L52 PolarHBondContact O-N 3.37Å; L52-G54 PolarHBondContact O-N 3.22Å; L52-Y55 WeakPolarHBondContact O-CB 3.16Å; L52-Y55 PolarHBondContact O-N 3.26Å; L52-W63 HydrophobicContact CB-CD2 4.26Å; L52-W63 HydrophobicContact CB-CG 4.11Å; L52-W63 HydrophobicContact CD1-CB 4.48Å; L52-W63 HydrophobicContact CD1-CD2 3.89Å; L52-W63 HydrophobicContact CD1-CE3 3.99Å; L52-W63 HydrophobicContact CD1-CG 4.11Å; L52-W63 HydrophobicContact CD2-CD2 4.33Å; L52-W63 HydrophobicContact CD2-CH2 4.14Å; L52-W63 HydrophobicContact CD2-CZ2 3.94Å; L52-W63 HydrophobicContact CD2-CZ3 4.44Å; L52-W63 HydrophobicContact CG-CD2 4.41Å; L52-W63 PolarHBondContact O-NE1 3.33Å; L52-I126 HydrophobicContact CD1-CD1 4.33Å; L52-I126 HydrophobicContact CD1-CG1 4.16Å; L52-I126 HydrophobicContact CD1-CG2 4.05Å; L52-I126 HydrophobicContact CD2-CG2 4.02Å; L52-I126 HydrophobicContact CG-CG2 4.12Å; L52-M130 HydrophobicContact CD2-CG 3.68Å; L52-M130 HydrophobicContact CD2-SD 4.15Å
53	D	98.4	Very high	98.5	Very high	87 Å²	87	47.6 Å²	47.6	47%	0.465	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	116	178.1	-164.5	18.1	0	0	0	111.1	Y55 N59 L60	D53-Y55 VanDerWaalsContact C-N 3.3Å; D53-Y55 PolarHBondContact O-N 3.06Å; D53-N59 WeakPolarHBondContact OD1-CA 3.42Å; D53-L60 HydrophobicContact CB-CB 4.05Å; D53-L60 HydrophobicContact CB-CD1 4.46Å; D53-L60 PolarHBondContact OD1-N 3.47Å
54	G	98.4	Very high	98.5	Very high	47 Å²	47	47.6 Å²	47.6	49%	0.485	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-2.3	-173.2	0	0	0	0	0	114.6	L52 R56 G57 Y58	L52-G54 PolarHBondContact O-N 3.22Å; G54-R56 PolarHBondContact O-N 3.41Å; G54-R56 VanDerWaalsContact O-N 3.12Å; G54-G57 PolarHBondContact O-N 3.05Å; G54-Y58 CarbonylContact C-O 3.58Å; G54-Y58 WeakPolarHBondContact CA-O 3.35Å; G54-Y58 PolarHBondContact N-O 2.77Å
55	Y	98.7	Very high	98.5	Very high	54 Å²	54	47.6 Å²	47.6	21%	0.212	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-62.1	119.4	-179.8	-174.1	-104.2	0	0	0	110.5	L52 D53 G57 Y58 W63 M130 V133 Q134	L52-Y55 WeakPolarHBondContact O-CB 3.16Å; L52-Y55 PolarHBondContact O-N 3.26Å; D53-Y55 VanDerWaalsContact C-N 3.3Å; D53-Y55 PolarHBondContact O-N 3.06Å; Y55-G57 PolarHBondContact O-N 3.37Å; Y55-Y58 PolarHBondContact N-O 3.05Å; Y55-Y58 PolarHBondContact O-N 2.97Å; Y55-W63 HydrophobicContact CD1-CH2 4.38Å; Y55-W63 AromaticContact CD1-CZ2 3.95Å; Y55-W63 HydrophobicContact CD1-CZ2 3.95Å; Y55-M130 HydrophobicContact CD1-CE 4.41Å; Y55-M130 HydrophobicContact CD1-CG 4.09Å; Y55-M130 HydrophobicContact CD2-CE 3.66Å; Y55-M130 HydrophobicContact CE1-CB 3.69Å; Y55-M130 HydrophobicContact CE1-CE 4.11Å; Y55-M130 HydrophobicContact CE1-CG 3.74Å; Y55-M130 HydrophobicContact CE2-CE 3.31Å; Y55-M130 HydrophobicContact CG-CE 4.21Å; Y55-M130 PolarHBondContact OH-O 2.88Å; Y55-V133 HydrophobicContact CD1-CG2 3.81Å; Y55-V133 HydrophobicContact CE1-CG2 3.41Å; Y55-V133 VanDerWaalsContact CE1-CG2 3.41Å; Y55-Q134 PolarHBondContact OH-NE2 2.66Å; Y55-Q134 VanDerWaalsContact OH-NE2 3.09Å
56	R	98	Very high	98.5	Very high	151 Å²	151	43.7 Å²	43.7	57%	0.57	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	57.5	23.6	-175.5	-59.9	-74.9	-69.4	174.2	-2.5	113.9	G54 Y58 V133	G54-R56 PolarHBondContact O-N 3.41Å; G54-R56 VanDerWaalsContact O-N 3.12Å; R56-Y58 HydrophobicContact CB-CD2 4.19Å; R56-Y58 HydrophobicContact CB-CE2 4.4Å; R56-V133 HydrophobicContact CG-CG2 4.07Å
57	G	98.1	Very high	98.6	Very high	71 Å²	71	40.7 Å²	40.7	73%	0.732	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	84.7	7.9	179	0	0	0	0	0	114.8	G54 Y55	G54-G57 PolarHBondContact O-N 3.05Å; Y55-G57 PolarHBondContact O-N 3.37Å
58	Y	98.8	Very high	98.6	Very high	47 Å²	47	45.9 Å²	45.9	18%	0.184	25%	0.253	C	S	.	.			trans	-96.3	132.1	172.4	-61.3	-69.8	0	0	0	109.9	G54 Y55 R56 D62 G138 L139 W145	G54-Y58 CarbonylContact C-O 3.58Å; G54-Y58 WeakPolarHBondContact CA-O 3.35Å; G54-Y58 PolarHBondContact N-O 2.77Å; Y55-Y58 PolarHBondContact N-O 3.05Å; Y55-Y58 PolarHBondContact O-N 2.97Å; R56-Y58 HydrophobicContact CB-CD2 4.19Å; R56-Y58 HydrophobicContact CB-CE2 4.4Å; Y58-D62 WeakPolarHBondContact CA-OD2 2.96Å; Y58-D62 HydrophobicContact CD1-CB 4.42Å; Y58-G138 WeakPolarHBondContact OH-CA 3.39Å; Y58-L139 HydrophobicContact CD1-CB 4.35Å; Y58-L139 HydrophobicContact CD1-CD1 3.43Å; Y58-L139 VanDerWaalsContact CD1-CD1 3.43Å; Y58-L139 HydrophobicContact CD1-CG 3.94Å; Y58-L139 HydrophobicContact CD2-CD1 3.92Å; Y58-L139 HydrophobicContact CD2-CG 3.76Å; Y58-L139 HydrophobicContact CE1-CB 3.93Å; Y58-L139 HydrophobicContact CE1-CD1 3.89Å; Y58-L139 HydrophobicContact CE1-CG 3.97Å; Y58-L139 HydrophobicContact CE2-CB 4.21Å; Y58-L139 HydrophobicContact CE2-CD1 4.33Å; Y58-L139 HydrophobicContact CE2-CG 3.79Å; Y58-L139 HydrophobicContact CG-CD1 3.43Å; Y58-L139 VanDerWaalsContact CG-CD1 3.43Å; Y58-L139 HydrophobicContact CG-CG 3.81Å; Y58-L139 PolarHBondContact OH-N 3.22Å; Y58-L139 VanDerWaalsContact OH-N 3.1Å; Y58-W145 HydrophobicContact CD1-CZ2 4.26Å; Y58-W145 AromaticContact CE1-CH2 3.99Å; Y58-W145 HydrophobicContact CE1-CH2 3.99Å; Y58-W145 AromaticContact CE1-CZ2 3.95Å; Y58-W145 HydrophobicContact CE1-CZ2 3.95Å
59	N	98.6	Very high	98.6	Very high	79 Å²	79	46.6 Å²	46.6	42%	0.422	25%	0.253	S	S	.	.			trans	-82.7	171.9	178.4	67	35.2	0	0	0	110.5	D53 A61 D62	D53-N59 WeakPolarHBondContact OD1-CA 3.42Å; N59-A61 PolarHBondContact O-N 3Å; N59-A61 WeakPolarHBondContact OD1-CA 3.3Å; N59-A61 VanDerWaalsContact OD1-CB 3.31Å; N59-A61 WeakPolarHBondContact OD1-CB 3.26Å; N59-A61 PolarHBondContact OD1-N 3.32Å; N59-D62 PolarHBondContact N-OD2 2.68Å; N59-D62 WeakPolarHBondContact O-CB 3.42Å; N59-D62 PolarHBondContact O-N 3.09Å; N59-D62 VanDerWaalsContact O-N 3.16Å; N59-D62 PolarHBondContact OD1-N 3.48Å; N59-D62 PolarHBondContact OD1-OD2 3.33Å
60	L	98.5	Very high	98.6	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-56.8	-36.4	-178.8	-166.6	62.2	0	0	0	113.7	A44 M47 H48 D53 D62 W63 V64 V158 F163	A44-L60 HydrophobicContact CB-CD2 4.13Å; M47-L60 HydrophobicContact CB-CD1 3.51Å; H48-L60 HydrophobicContact CB-CD1 4.24Å; H48-L60 HydrophobicContact CB-CD2 3.97Å; D53-L60 HydrophobicContact CB-CB 4.05Å; D53-L60 HydrophobicContact CB-CD1 4.46Å; D53-L60 PolarHBondContact OD1-N 3.47Å; L60-D62 VanDerWaalsContact C-N 3.31Å; L60-D62 PolarHBondContact O-N 2.66Å; L60-W63 PolarHBondContact O-N 3.01Å; L60-V64 WeakPolarHBondContact O-CG2 3.14Å; L60-V64 PolarHBondContact O-N 3.26Å; L60-V64 VanDerWaalsContact O-N 3.12Å; L60-V158 HydrophobicContact CB-CG1 4.22Å; L60-V158 HydrophobicContact CD2-CG1 4.14Å; L60-V158 HydrophobicContact CG-CG1 4.11Å; L60-F163 HydrophobicContact CD2-CE2 4.2Å; L60-F163 HydrophobicContact CD2-CZ 3.57Å
61	A	98.8	Very high	98.6	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-33.2	-179.6	0	0	0	0	0	113.1	N59 W63 V64 C65 L154 W157 V158	N59-A61 PolarHBondContact O-N 3Å; N59-A61 WeakPolarHBondContact OD1-CA 3.3Å; N59-A61 VanDerWaalsContact OD1-CB 3.31Å; N59-A61 WeakPolarHBondContact OD1-CB 3.26Å; N59-A61 PolarHBondContact OD1-N 3.32Å; A61-W63 VanDerWaalsContact C-N 3.32Å; A61-W63 PolarHBondContact O-N 2.89Å; A61-V64 PolarHBondContact O-N 3.36Å; A61-C65 VanDerWaalsContact O-CB 3.26Å; A61-C65 WeakPolarHBondContact O-CB 3.41Å; A61-C65 PolarHBondContact O-N 3.46Å; A61-L154 HydrophobicContact CB-CB 3.74Å; A61-L154 VanDerWaalsContact CB-O 3.26Å; A61-L154 WeakPolarHBondContact CB-O 3.41Å; A61-W157 HydrophobicContact CB-CB 4.04Å; A61-V158 HydrophobicContact CB-CG1 4.08Å; A61-V158 HydrophobicContact CB-CG2 4.17Å
62	D	98.9	Very high	98.6	Very high	21 Å²	21	40.7 Å²	40.7	11%	0.112	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-45	173.3	-72.4	-62.8	0	0	0	111.8	Y58 N59 L60 L66 L139 L154	Y58-D62 WeakPolarHBondContact CA-OD2 2.96Å; Y58-D62 HydrophobicContact CD1-CB 4.42Å; N59-D62 PolarHBondContact N-OD2 2.68Å; N59-D62 WeakPolarHBondContact O-CB 3.42Å; N59-D62 PolarHBondContact O-N 3.09Å; N59-D62 VanDerWaalsContact O-N 3.16Å; N59-D62 PolarHBondContact OD1-N 3.48Å; N59-D62 PolarHBondContact OD1-OD2 3.33Å; L60-D62 VanDerWaalsContact C-N 3.31Å; L60-D62 PolarHBondContact O-N 2.66Å; D62-L66 WeakPolarHBondContact O-CB 3.44Å; D62-L66 PolarHBondContact O-N 2.91Å; D62-L139 HydrophobicContact CB-CD1 3.62Å; D62-L154 WeakPolarHBondContact OD1-CD1 3.33Å
63	W	98.9	Very high	98.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-70.1	-41.6	-178.7	-64	100	0	0	0	112.3	M47 L52 Y55 L60 A61 L66 A67 F91 A129 V133 L139	M47-W63 HydrophobicContact CE-CB 4Å; M47-W63 WeakPolarHBondContact CE-O 3.41Å; M47-W63 HydrophobicContact SD-CB 3.56Å; M47-W63 VanDerWaalsContact SD-CB 3.56Å; L52-W63 HydrophobicContact CB-CD2 4.26Å; L52-W63 HydrophobicContact CB-CG 4.11Å; L52-W63 HydrophobicContact CD1-CB 4.48Å; L52-W63 HydrophobicContact CD1-CD2 3.89Å; L52-W63 HydrophobicContact CD1-CE3 3.99Å; L52-W63 HydrophobicContact CD1-CG 4.11Å; L52-W63 HydrophobicContact CD2-CD2 4.33Å; L52-W63 HydrophobicContact CD2-CH2 4.14Å; L52-W63 HydrophobicContact CD2-CZ2 3.94Å; L52-W63 HydrophobicContact CD2-CZ3 4.44Å; L52-W63 HydrophobicContact CG-CD2 4.41Å; L52-W63 PolarHBondContact O-NE1 3.33Å; Y55-W63 HydrophobicContact CD1-CH2 4.38Å; Y55-W63 AromaticContact CD1-CZ2 3.95Å; Y55-W63 HydrophobicContact CD1-CZ2 3.95Å; L60-W63 PolarHBondContact O-N 3.01Å; A61-W63 VanDerWaalsContact C-N 3.32Å; A61-W63 PolarHBondContact O-N 2.89Å; W63-L66 HydrophobicContact CE3-CD2 4.48Å; W63-L66 PolarHBondContact O-N 3.39Å; W63-A67 PolarHBondContact O-N 3.46Å; W63-F91 HydrophobicContact CE3-CE1 4.48Å; W63-A129 HydrophobicContact CZ3-CB 4.03Å; W63-V133 HydrophobicContact CH2-CB 4.36Å; W63-V133 HydrophobicContact CH2-CG1 3.6Å; W63-V133 HydrophobicContact CH2-CG2 3.88Å; W63-V133 HydrophobicContact CZ2-CG1 4.36Å; W63-V133 HydrophobicContact CZ2-CG2 4.35Å; W63-V133 HydrophobicContact CZ3-CG1 4.24Å; W63-L139 HydrophobicContact CD2-CD2 4.44Å; W63-L139 HydrophobicContact CE3-CD2 4.03Å; W63-L139 HydrophobicContact CH2-CD2 3.89Å; W63-L139 HydrophobicContact CZ2-CD2 4.27Å; W63-L139 HydrophobicContact CZ3-CD2 3.75Å
64	V	98.9	Very high	98.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-44.5	176.5	-179.8	0	0	0	0	110.1	R40 A44 M47 L60 A61 L66 A67 Y68 F73 W157 V158	R40-V64 HydrophobicContact CG-CG1 4Å; A44-V64 HydrophobicContact CB-CG2 3.84Å; M47-V64 HydrophobicContact SD-CG2 3.76Å; L60-V64 WeakPolarHBondContact O-CG2 3.14Å; L60-V64 PolarHBondContact O-N 3.26Å; L60-V64 VanDerWaalsContact O-N 3.12Å; A61-V64 PolarHBondContact O-N 3.36Å; V64-L66 PolarHBondContact O-N 2.77Å; V64-A67 PolarHBondContact O-N 2.91Å; V64-Y68 PolarHBondContact O-N 3.04Å; V64-F73 HydrophobicContact CG1-CE1 4.04Å; V64-F73 HydrophobicContact CG1-CZ 3.96Å; V64-F73 WeakPolarHBondContact O-CE1 3.5Å; V64-W157 HydrophobicContact CB-CB 4.23Å; V64-W157 HydrophobicContact CG1-CB 4.17Å; V64-W157 HydrophobicContact CG1-CD2 4.44Å; V64-W157 HydrophobicContact CG1-CE3 3.8Å; V64-V158 HydrophobicContact CG2-CG1 4.42Å
65	C	98.9	Very high	98.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-46.2	175	-175.2	0	0	0	0	111.9	A61 A67 Y68 Y69 C149 L154 W157	A61-C65 VanDerWaalsContact O-CB 3.26Å; A61-C65 WeakPolarHBondContact O-CB 3.41Å; A61-C65 PolarHBondContact O-N 3.46Å; C65-A67 PolarHBondContact O-N 3.26Å; C65-Y68 PolarHBondContact O-N 3.05Å; C65-Y69 WeakPolarHBondContact O-CD2 3.39Å; C65-Y69 PolarHBondContact O-N 2.84Å; C65-Y69 VanDerWaalsContact O-N 3.11Å; C65-C149 HydrophobicContact CB-CB 3.92Å; C65-C149 WeakPolarHBondContact CB-SG 3.25Å; C65-C149 VanDerWaalsContact SG-CA 3.58Å; C65-C149 WeakPolarHBondContact SG-CB 3.47Å; C65-C149 CovalentContact SG-SG 2.03Å; C65-C149 PolarHBondContact SG-SG 3.4Å; C65-L154 HydrophobicContact CB-CD1 4.22Å; C65-L154 HydrophobicContact CB-CD2 4.27Å; C65-W157 HydrophobicContact CB-CD2 4.05Å; C65-W157 HydrophobicContact CB-CG 4.02Å; C65-W157 HydrophobicContact CB-CZ2 4.43Å; C65-W157 PolarHBondContact SG-NE1 3.41Å; C65-W157 VanDerWaalsContact SG-NE1 3.44Å
66	L	98.9	Very high	98.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54.9	-52.2	175.6	169	65.2	0	0	0	111.3	D62 W63 V64 Y68 Y69 T70 F91 L139 W142 W145	D62-L66 WeakPolarHBondContact O-CB 3.44Å; D62-L66 PolarHBondContact O-N 2.91Å; W63-L66 HydrophobicContact CE3-CD2 4.48Å; W63-L66 PolarHBondContact O-N 3.39Å; V64-L66 PolarHBondContact O-N 2.77Å; L66-Y68 VanDerWaalsContact C-N 3.28Å; L66-Y68 PolarHBondContact O-N 3.03Å; L66-Y69 PolarHBondContact O-N 3.24Å; L66-T70 HydrophobicContact CD1-CG2 3.54Å; L66-T70 HydrophobicContact CG-CG2 4.37Å; L66-T70 WeakPolarHBondContact O-CB 3.43Å; L66-T70 WeakPolarHBondContact O-CG2 3.31Å; L66-T70 PolarHBondContact O-N 3.2Å; L66-T70 PolarHBondContact O-OG1 3.25Å; L66-F91 HydrophobicContact CD2-CD1 3.88Å; L66-F91 HydrophobicContact CD2-CE1 4.38Å; L66-F91 HydrophobicContact CG-CD1 4.19Å; L66-L139 HydrophobicContact CD2-CD2 3.88Å; L66-W142 HydrophobicContact CD1-CB 3.5Å; L66-W142 VanDerWaalsContact CD1-CB 3.5Å; L66-W142 HydrophobicContact CD1-CD2 3.98Å; L66-W142 HydrophobicContact CD1-CG 3.45Å; L66-W142 VanDerWaalsContact CD1-CG 3.45Å; L66-W142 HydrophobicContact CD2-CD2 4.02Å; L66-W142 HydrophobicContact CD2-CE3 4.26Å; L66-W142 HydrophobicContact CD2-CG 4.37Å; L66-W142 HydrophobicContact CD2-CZ2 4.42Å; L66-W145 HydrophobicContact CD1-CB 3.89Å
67	A	98.9	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-36.1	-177.2	0	0	0	0	0	112.4	L43 M47 W63 V64 C65 T70 S71 G72 F73 I90 F91	L43-A67 HydrophobicContact CD2-CB 3.57Å; M47-A67 HydrophobicContact CE-CB 3.86Å; W63-A67 PolarHBondContact O-N 3.46Å; V64-A67 PolarHBondContact O-N 2.91Å; C65-A67 PolarHBondContact O-N 3.26Å; A67-T70 WeakPolarHBondContact CA-OG1 3.45Å; A67-T70 PolarHBondContact O-OG1 3.09Å; A67-S71 PolarHBondContact O-N 2.9Å; A67-S71 PolarHBondContact O-OG 3.17Å; A67-G72 PolarHBondContact O-N 3.02Å; A67-F73 HydrophobicContact CB-CD1 3.99Å; A67-F73 HydrophobicContact CB-CE1 4.18Å; A67-F73 PolarHBondContact O-N 3.5Å; A67-I90 HydrophobicContact CB-CG1 4.05Å; A67-F91 HydrophobicContact CB-CD1 4.35Å; A67-F91 HydrophobicContact CB-CE1 4.1Å
68	Y	98.9	Very high	98.6	Very high	109 Å²	109	31 Å²	31	43%	0.427	16%	0.163	S	C	.	.	H	α-helix	trans	-63.9	-53.3	175.6	-176.3	-98.2	0	0	0	111.7	V64 C65 L66 T70 G72 F73 W157	V64-Y68 PolarHBondContact O-N 3.04Å; C65-Y68 PolarHBondContact O-N 3.05Å; L66-Y68 VanDerWaalsContact C-N 3.28Å; L66-Y68 PolarHBondContact O-N 3.03Å; Y68-T70 VanDerWaalsContact C-N 3.27Å; Y68-T70 PolarHBondContact O-N 3.3Å; Y68-G72 VanDerWaalsContact O-CA 3.26Å; Y68-G72 WeakPolarHBondContact O-CA 3.43Å; Y68-G72 PolarHBondContact O-N 3.44Å; Y68-F73 HydrophobicContact CD2-CD2 4.15Å; Y68-F73 HydrophobicContact CD2-CE1 4.2Å; Y68-F73 AromaticContact CD2-CE2 3.66Å; Y68-F73 HydrophobicContact CD2-CE2 3.66Å; Y68-F73 AromaticContact CD2-CZ 3.7Å; Y68-F73 HydrophobicContact CD2-CZ 3.7Å; Y68-F73 HydrophobicContact CE2-CE2 4.47Å; Y68-F73 HydrophobicContact CG-CE1 4.38Å; Y68-F73 HydrophobicContact CG-CZ 4.15Å; Y68-W157 AromaticContact CD1-CH2 3.38Å; Y68-W157 HydrophobicContact CD1-CH2 3.38Å; Y68-W157 HydrophobicContact CD1-CZ2 4.18Å; Y68-W157 HydrophobicContact CD1-CZ3 4.18Å; Y68-W157 AromaticContact CD2-CH2 3.94Å; Y68-W157 HydrophobicContact CD2-CH2 3.94Å; Y68-W157 AromaticContact CD2-CZ3 3.94Å; Y68-W157 HydrophobicContact CD2-CZ3 3.94Å; Y68-W157 HydrophobicContact CE1-CH2 4.01Å; Y68-W157 HydrophobicContact CE2-CH2 4.5Å; Y68-W157 AromaticContact CG-CH2 3.31Å; Y68-W157 HydrophobicContact CG-CH2 3.31Å; Y68-W157 HydrophobicContact CG-CZ2 4.39Å; Y68-W157 AromaticContact CG-CZ3 3.63Å; Y68-W157 HydrophobicContact CG-CZ3 3.63Å
69	Y	98.8	Very high	98.5	Very high	96 Å²	96	32.3 Å²	32.3	38%	0.376	17%	0.174	S	C	.	.	H	α-helix	trans	-76.5	-14.2	-174.5	-77	-74.5	0	0	0	114.1	C65 L66 H148 W157	C65-Y69 WeakPolarHBondContact O-CD2 3.39Å; C65-Y69 PolarHBondContact O-N 2.84Å; C65-Y69 VanDerWaalsContact O-N 3.11Å; L66-Y69 PolarHBondContact O-N 3.24Å; Y69-H148 HydrophobicContact CD1-CB 3.57Å; Y69-H148 AromaticContact CD1-CD2 3.7Å; Y69-H148 AromaticContact CD1-CG 3.39Å; Y69-H148 AromaticContact CD1-ND1 3.76Å; Y69-H148 HydrophobicContact CD2-CB 3.39Å; Y69-H148 HydrophobicContact CE1-CB 3.66Å; Y69-H148 AromaticContact CE1-CG 3.54Å; Y69-H148 AromaticContact CE1-ND1 3.49Å; Y69-H148 WeakPolarHBondContact CE1-ND1 3.4Å; Y69-H148 HydrophobicContact CE2-CB 3.47Å; Y69-H148 VanDerWaalsContact CE2-CB 3.47Å; Y69-H148 HydrophobicContact CG-CB 3.43Å; Y69-H148 VanDerWaalsContact CG-CB 3.43Å; Y69-H148 AromaticContact CG-CG 3.74Å; Y69-H148 AromaticContact CZ-CG 3.99Å; Y69-W157 HydrophobicContact CD2-CZ2 4.35Å; Y69-W157 HydrophobicContact CE2-CH2 4.34Å; Y69-W157 AromaticContact CE2-CZ2 3.7Å; Y69-W157 HydrophobicContact CE2-CZ2 3.7Å
70	T	98.6	Very high	98.4	Very high	27 Å²	27	35.2 Å²	35.2	17%	0.166	18%	0.184	C	C	.	.	H	α-helix	trans	-88.5	-47.4	172.8	48.3	0	0	0	0	112.5	L66 A67 Y68 I90 Q92 A144	L66-T70 HydrophobicContact CD1-CG2 3.54Å; L66-T70 HydrophobicContact CG-CG2 4.37Å; L66-T70 WeakPolarHBondContact O-CB 3.43Å; L66-T70 WeakPolarHBondContact O-CG2 3.31Å; L66-T70 PolarHBondContact O-N 3.2Å; L66-T70 PolarHBondContact O-OG1 3.25Å; A67-T70 WeakPolarHBondContact CA-OG1 3.45Å; A67-T70 PolarHBondContact O-OG1 3.09Å; Y68-T70 VanDerWaalsContact C-N 3.27Å; Y68-T70 PolarHBondContact O-N 3.3Å; T70-I90 PolarHBondContact OG1-O 2.97Å; T70-I90 VanDerWaalsContact OG1-O 3.05Å; T70-Q92 HydrophobicContact CG2-CB 4.33Å; T70-Q92 WeakPolarHBondContact O-CG 3.43Å; T70-A144 HydrophobicContact CG2-CB 3.72Å
71	S	98.7	Very high	98.3	Very high	17 Å²	17	38.7 Å²	38.7	12%	0.119	20%	0.2	C	C	.	.	H	α-helix	trans	-129.8	-4.2	-169.5	65.9	0	0	0	0	115	A67 F73 N74 I90	A67-S71 PolarHBondContact O-N 2.9Å; A67-S71 PolarHBondContact O-OG 3.17Å; S71-F73 PolarHBondContact O-N 3.45Å; S71-F73 PolarHBondContact OG-N 3.19Å; S71-N74 WeakPolarHBondContact O-CB 3.45Å; S71-N74 PolarHBondContact O-N 3.1Å; S71-I90 WeakPolarHBondContact CB-O 3.38Å; S71-I90 WeakPolarHBondContact OG-CA 3.4Å; S71-I90 PolarHBondContact OG-O 3.27Å
72	G	98.6	Very high	98.1	Very high	35 Å²	35	43.9 Å²	43.9	36%	0.361	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	34.7	-168.8	0	0	0	0	0	112.1	A67 Y68 N74	A67-G72 PolarHBondContact O-N 3.02Å; Y68-G72 VanDerWaalsContact O-CA 3.26Å; Y68-G72 WeakPolarHBondContact O-CA 3.43Å; Y68-G72 PolarHBondContact O-N 3.44Å; G72-N74 PolarHBondContact O-N 2.97Å
73	F	98.7	Very high	97.8	Very high	17 Å²	17	47 Å²	47	8%	0.075	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	12.6	-176.2	-49.9	-41.1	0	0	0	116	V37 F38 R40 L43 V64 A67 Y68 S71 W157	V37-F73 WeakPolarHBondContact CA-O 3.28Å; V37-F73 HydrophobicContact CG1-CB 4.41Å; F38-F73 HydrophobicContact CB-CB 4.18Å; F38-F73 PolarHBondContact N-O 2.99Å; F38-F73 VanDerWaalsContact O-CB 3.3Å; F38-F73 WeakPolarHBondContact O-CB 3.44Å; F38-F73 WeakPolarHBondContact O-CD2 3.31Å; R40-F73 HydrophobicContact CB-CE2 4.1Å; R40-F73 HydrophobicContact CB-CZ 4.36Å; R40-F73 HydrophobicContact CG-CZ 4.49Å; L43-F73 HydrophobicContact CD2-CD1 3.33Å; L43-F73 HydrophobicContact CD2-CE1 3.65Å; L43-F73 HydrophobicContact CD2-CG 4.14Å; V64-F73 HydrophobicContact CG1-CE1 4.04Å; V64-F73 HydrophobicContact CG1-CZ 3.96Å; V64-F73 WeakPolarHBondContact O-CE1 3.5Å; A67-F73 HydrophobicContact CB-CD1 3.99Å; A67-F73 HydrophobicContact CB-CE1 4.18Å; A67-F73 PolarHBondContact O-N 3.5Å; Y68-F73 HydrophobicContact CD2-CD2 4.15Å; Y68-F73 HydrophobicContact CD2-CE1 4.2Å; Y68-F73 AromaticContact CD2-CE2 3.66Å; Y68-F73 HydrophobicContact CD2-CE2 3.66Å; Y68-F73 AromaticContact CD2-CZ 3.7Å; Y68-F73 HydrophobicContact CD2-CZ 3.7Å; Y68-F73 HydrophobicContact CE2-CE2 4.47Å; Y68-F73 HydrophobicContact CG-CE1 4.38Å; Y68-F73 HydrophobicContact CG-CZ 4.15Å; S71-F73 PolarHBondContact O-N 3.45Å; S71-F73 PolarHBondContact OG-N 3.19Å; F73-W157 HydrophobicContact CZ-CE3 4.31Å; F73-W157 AromaticContact CZ-CZ3 3.87Å; F73-W157 HydrophobicContact CZ-CZ3 3.87Å
74	N	98.4	Very high	97.5	Very high	48 Å²	48	50.1 Å²	50.1	26%	0.257	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-85.3	114.8	178.7	-179.5	5.4	0	0	0	111.3	V37 S71 G72 N76 A77	V37-N74 HydrophobicContact CG2-CB 4.02Å; S71-N74 WeakPolarHBondContact O-CB 3.45Å; S71-N74 PolarHBondContact O-N 3.1Å; G72-N74 PolarHBondContact O-N 2.97Å; N74-N76 PolarHBondContact O-N 2.96Å; N74-N76 PolarHBondContact OD1-N 3.24Å; N74-A77 HydrophobicContact CB-CB 4.21Å; N74-A77 WeakPolarHBondContact O-CB 3.37Å; N74-A77 PolarHBondContact O-N 3.36Å
75	T	98.2	Very high	97.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.7	178.9	61.2	0	0	0	0	113.7	K36 F38 G89 I90 L118 N119 N120 L122	K36-T75 HydrophobicContact CB-CG2 4.29Å; K36-T75 PolarHBondContact N-OG1 3.12Å; K36-T75 PolarHBondContact O-N 3Å; K36-T75 PolarHBondContact O-OG1 3.45Å; K36-T75 VanDerWaalsContact O-OG1 3.12Å; F38-T75 HydrophobicContact CD2-CG2 3.86Å; F38-T75 HydrophobicContact CE2-CG2 3.53Å; T75-G89 VanDerWaalsContact O-CA 3.31Å; T75-G89 WeakPolarHBondContact O-CA 3.37Å; T75-I90 HydrophobicContact CG2-CD1 4.4Å; T75-L118 WeakPolarHBondContact O-CA 3.43Å; T75-N119 WeakPolarHBondContact CB-O 3.38Å; T75-N120 PolarHBondContact OG1-OD1 3.3Å; T75-L122 HydrophobicContact CG2-CD2 3.69Å
76	N	97	Very high	97.2	Very high	64 Å²	64	51.1 Å²	51.1	34%	0.342	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	20.7	-177.8	-150.7	-16.1	0	0	0	112.2	A35 N74 V78	A35-N76 HydrophobicContact CB-CB 3.53Å; N74-N76 PolarHBondContact O-N 2.96Å; N74-N76 PolarHBondContact OD1-N 3.24Å; N76-V78 PolarHBondContact O-N 3.33Å
77	A	98.2	Very high	97.2	Very high	15 Å²	15	52.2 Å²	52.2	12%	0.124	30%	0.304	C	S	.	.			trans	-67.4	128.1	174.6	0	0	0	0	0	110.5	N74 G89 Q92	N74-A77 HydrophobicContact CB-CB 4.21Å; N74-A77 WeakPolarHBondContact O-CB 3.37Å; N74-A77 PolarHBondContact O-N 3.36Å; A77-G89 PolarHBondContact O-N 3.12Å; A77-Q92 PolarHBondContact O-NE2 3.09Å
78	V	97.9	Very high	97.2	Very high	62 Å²	62	52.6 Å²	52.6	38%	0.376	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.6	173.8	-178.3	0	0	0	0	108.5	N76 N87 L118	N76-V78 PolarHBondContact O-N 3.33Å; V78-N87 WeakPolarHBondContact CA-O 3.41Å; V78-L118 HydrophobicContact CG2-CD1 3.82Å; V78-L118 HydrophobicContact CG2-CD2 3.71Å; V78-L118 HydrophobicContact CG2-CG 4.45Å
79	D	97.8	Very high	97.1	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.8	172.7	179.3	49.6	0	0	0	110.6	T86 N87	D79-T86 CarbonylContact O-C 3.54Å; D79-T86 WeakPolarHBondContact O-CA 3.38Å; D79-N87 HydrophobicContact CB-CB 4.27Å; D79-N87 PolarHBondContact N-O 2.76Å; D79-N87 PolarHBondContact O-N 3.29Å; D79-N87 PolarHBondContact OD2-ND2 2.9Å
80	H	96.5	Very high	97.1	Very high	140 Å²	140	42.8 Å²	42.8	65%	0.648	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	117	-173.9	-71.2	-86.1	0	0	0	110.5
81	E	95.2	Very high	97.2	Very high	82 Å²	82	41.5 Å²	41.5	38%	0.383	26%	0.26	S	S	.	.			trans	-83.5	156.4	179.8	-67.3	-70.1	170.6	0	0	111.6	D83 G84 S85 N87	E81-D83 VanDerWaalsContact CB-OD1 3.29Å; E81-D83 WeakPolarHBondContact CB-OD1 3.29Å; E81-D83 PolarHBondContact O-N 3.4Å; E81-D83 VanDerWaalsContact O-N 3.14Å; E81-G84 PolarHBondContact O-N 3.01Å; E81-S85 PolarHBondContact N-O 3.19Å; E81-N87 PolarHBondContact OE1-ND2 2.94Å
82	A	95.1	Very high	97.2	Very high	113 Å²	113	42 Å²	42	93%	0.934	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.6	-178.8	0	0	0	0	0	114	G84	A82-G84 VanDerWaalsContact C-N 3.25Å; A82-G84 PolarHBondContact O-N 2.98Å
83	D	92.1	Very high	97.2	Very high	87 Å²	87	40.4 Å²	40.4	47%	0.465	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	2.3	175.8	79.1	-35.5	0	0	0	113.6	E81 S85 R96	E81-D83 VanDerWaalsContact CB-OD1 3.29Å; E81-D83 WeakPolarHBondContact CB-OD1 3.29Å; E81-D83 PolarHBondContact O-N 3.4Å; E81-D83 VanDerWaalsContact O-N 3.14Å; D83-S85 VanDerWaalsContact C-N 3.31Å; D83-S85 VanDerWaalsContact OD1-CB 3.31Å; D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 3.1Å; D83-S85 PolarHBondContact OD1-OG 3.35Å; D83-S85 PolarHBondContact OD2-OG 3.02Å; D83-R96 IonicContact OD1-NH2 3.91Å; D83-R96 PolarHBondContact OD1-NH2 3.02Å; D83-R96 IonicContact OD2-CZ 2.79Å; D83-R96 IonicContact OD2-NE 3.4Å; D83-R96 PolarHBondContact OD2-NE 2.83Å; D83-R96 IonicContact OD2-NH2 2.66Å; D83-R96 PolarHBondContact OD2-NH2 3.13Å
84	G	92.3	Very high	97.1	Very high	65 Å²	65	40.3 Å²	40.3	67%	0.67	25%	0.245	S	C	*	.	S	Bend	trans	83.8	0.9	-178.8	0	0	0	0	0	114.5	E81 A82	E81-G84 PolarHBondContact O-N 3.01Å; A82-G84 VanDerWaalsContact C-N 3.25Å; A82-G84 PolarHBondContact O-N 2.98Å
85	S	95.4	Very high	97.1	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.035	23%	0.233	C	C	.	.			trans	-73.3	166.2	167.7	70.2	0	0	0	0	111.2	E81 D83	E81-S85 PolarHBondContact N-O 3.19Å; D83-S85 VanDerWaalsContact C-N 3.31Å; D83-S85 VanDerWaalsContact OD1-CB 3.31Å; D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 3.1Å; D83-S85 PolarHBondContact OD1-OG 3.35Å; D83-S85 PolarHBondContact OD2-OG 3.02Å
86	T	97.3	Very high	97	Very high	16 Å²	16	44.8 Å²	44.8	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145	-178	60.1	0	0	0	0	110.4	D79 N88 S94 S95	D79-T86 CarbonylContact O-C 3.54Å; D79-T86 WeakPolarHBondContact O-CA 3.38Å; T86-N88 PolarHBondContact O-ND2 3.38Å; T86-N88 PolarHBondContact OG1-ND2 2.82Å; T86-N88 VanDerWaalsContact OG1-ND2 3.14Å; T86-N88 PolarHBondContact OG1-OD1 3.12Å; T86-N88 VanDerWaalsContact OG1-OD1 3.13Å; T86-S94 CarbonylContact O-C 3.57Å; T86-S94 WeakPolarHBondContact O-CA 3.32Å; T86-S95 PolarHBondContact N-OG 2.83Å; T86-S95 PolarHBondContact O-N 3.49Å; T86-S95 PolarHBondContact O-OG 2.8Å; T86-S95 PolarHBondContact OG1-OG 3.43Å; T86-S95 VanDerWaalsContact OG1-OG 3.08Å
87	N	98.3	Very high	97	Very high	23 Å²	23	45.9 Å²	45.9	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.4	168.8	-57.4	-45	0	0	0	108.5	V78 D79 E81 Q92 S94	V78-N87 WeakPolarHBondContact CA-O 3.41Å; D79-N87 HydrophobicContact CB-CB 4.27Å; D79-N87 PolarHBondContact N-O 2.76Å; D79-N87 PolarHBondContact O-N 3.29Å; D79-N87 PolarHBondContact OD2-ND2 2.9Å; E81-N87 PolarHBondContact OE1-ND2 2.94Å; N87-Q92 HydrophobicContact CB-CB 3.91Å; N87-Q92 PolarHBondContact O-OE1 3.21Å; N87-S94 WeakPolarHBondContact OD1-CB 3.4Å
88	N	98.5	Very high	97	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.5	-161.8	-50.8	-94	0	0	0	111.7	T86 Q92 I93 C114 L117 L118	T86-N88 PolarHBondContact O-ND2 3.38Å; T86-N88 PolarHBondContact OG1-ND2 2.82Å; T86-N88 VanDerWaalsContact OG1-ND2 3.14Å; T86-N88 PolarHBondContact OG1-OD1 3.12Å; T86-N88 VanDerWaalsContact OG1-OD1 3.13Å; N88-Q92 WeakPolarHBondContact O-CA 3.46Å; N88-Q92 PolarHBondContact O-N 3.12Å; N88-I93 PolarHBondContact N-O 2.97Å; N88-I93 PolarHBondContact ND2-O 3Å; N88-I93 PolarHBondContact O-N 2.89Å; N88-C114 HydrophobicContact CB-CB 4.34Å; N88-L117 HydrophobicContact CB-CB 4.38Å; N88-L117 HydrophobicContact CB-CD1 4.34Å; N88-L118 HydrophobicContact CB-CD2 4.09Å
89	G	98.4	Very high	97	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	-164.1	167.4	0	0	0	0	0	114.8	T75 A77 F91 Q92 L117	T75-G89 VanDerWaalsContact O-CA 3.31Å; T75-G89 WeakPolarHBondContact O-CA 3.37Å; A77-G89 PolarHBondContact O-N 3.12Å; G89-F91 PolarHBondContact O-N 3.01Å; G89-F91 VanDerWaalsContact O-N 3.1Å; G89-Q92 PolarHBondContact O-N 3.49Å; G89-Q92 PolarHBondContact O-NE2 3.27Å; G89-L117 WeakPolarHBondContact CA-O 3.2Å
90	I	98.8	Very high	97	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.9	-169.8	-162.2	162.6	0	0	0	114.1	F38 L43 A67 T70 S71 T75 L122	F38-I90 HydrophobicContact CD2-CD1 4.18Å; L43-I90 HydrophobicContact CD1-CD1 3.48Å; L43-I90 VanDerWaalsContact CD1-CD1 3.48Å; L43-I90 HydrophobicContact CD2-CD1 3.88Å; L43-I90 HydrophobicContact CG-CD1 4.36Å; A67-I90 HydrophobicContact CB-CG1 4.05Å; T70-I90 PolarHBondContact OG1-O 2.97Å; T70-I90 VanDerWaalsContact OG1-O 3.05Å; S71-I90 WeakPolarHBondContact CB-O 3.38Å; S71-I90 WeakPolarHBondContact OG-CA 3.4Å; S71-I90 PolarHBondContact OG-O 3.27Å; T75-I90 HydrophobicContact CG2-CD1 4.4Å; I90-L122 HydrophobicContact CB-CD2 4.37Å; I90-L122 HydrophobicContact CD1-CD1 4.19Å; I90-L122 HydrophobicContact CD1-CD2 3.78Å; I90-L122 HydrophobicContact CG2-CD2 4.07Å
91	F	98.8	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	8.6	178.6	-58.1	-56.5	0	0	0	113.2	M47 W63 L66 A67 G89 I93 I126 A129 W142	M47-F91 HydrophobicContact CE-CE1 3.5Å; M47-F91 VanDerWaalsContact CE-CE1 3.5Å; M47-F91 HydrophobicContact CE-CZ 3.6Å; W63-F91 HydrophobicContact CE3-CE1 4.48Å; L66-F91 HydrophobicContact CD2-CD1 3.88Å; L66-F91 HydrophobicContact CD2-CE1 4.38Å; L66-F91 HydrophobicContact CG-CD1 4.19Å; A67-F91 HydrophobicContact CB-CD1 4.35Å; A67-F91 HydrophobicContact CB-CE1 4.1Å; G89-F91 PolarHBondContact O-N 3.01Å; G89-F91 VanDerWaalsContact O-N 3.1Å; F91-I93 VanDerWaalsContact C-N 3.34Å; F91-I93 HydrophobicContact CB-CD1 4.3Å; F91-I93 HydrophobicContact CB-CG1 3.96Å; F91-I93 PolarHBondContact O-N 2.79Å; F91-I126 HydrophobicContact CE2-CG1 3.95Å; F91-I126 HydrophobicContact CZ-CG1 4.29Å; F91-A129 HydrophobicContact CD2-CB 3.7Å; F91-A129 HydrophobicContact CE2-CB 3.92Å; F91-A129 HydrophobicContact CG-CB 4.3Å; F91-W142 HydrophobicContact CB-CZ2 4.47Å; F91-W142 PolarHBondContact O-NE1 3.37Å
92	Q	98.8	Very high	96.5	Very high	27 Å²	27	43.4 Å²	43.4	13%	0.126	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	51.8	-179.8	-70.4	-59.9	-74.4	0	0	112.8	T70 A77 N87 N88 G89 S94	T70-Q92 HydrophobicContact CG2-CB 4.33Å; T70-Q92 WeakPolarHBondContact O-CG 3.43Å; A77-Q92 PolarHBondContact O-NE2 3.09Å; N87-Q92 HydrophobicContact CB-CB 3.91Å; N87-Q92 PolarHBondContact O-OE1 3.21Å; N88-Q92 WeakPolarHBondContact O-CA 3.46Å; N88-Q92 PolarHBondContact O-N 3.12Å; G89-Q92 PolarHBondContact O-N 3.49Å; G89-Q92 PolarHBondContact O-NE2 3.27Å; Q92-S94 PolarHBondContact O-N 3.08Å
93	I	98.8	Very high	95.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	124.2	-175.9	-65.3	176.7	0	0	0	110	N88 F91 W98 L117 C128 I132	N88-I93 PolarHBondContact N-O 2.97Å; N88-I93 PolarHBondContact ND2-O 3Å; N88-I93 PolarHBondContact O-N 2.89Å; F91-I93 VanDerWaalsContact C-N 3.34Å; F91-I93 HydrophobicContact CB-CD1 4.3Å; F91-I93 HydrophobicContact CB-CG1 3.96Å; F91-I93 PolarHBondContact O-N 2.79Å; I93-W98 HydrophobicContact CG2-CB 3.39Å; I93-W98 HydrophobicContact CG2-CG 3.97Å; I93-L117 HydrophobicContact CB-CD1 3.89Å; I93-L117 HydrophobicContact CD1-CD1 4.34Å; I93-L117 HydrophobicContact CG2-CD1 3.9Å; I93-C128 HydrophobicContact CD1-CB 3.82Å; I93-I132 HydrophobicContact CD1-CD1 4.17Å; I93-I132 HydrophobicContact CG1-CD1 4.02Å; I93-I132 HydrophobicContact CG2-CD1 4.1Å
94	S	97.9	Very high	94.9	Very high	16 Å²	16	40.2 Å²	40.2	11%	0.112	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.1	-173.5	-177.1	0	0	0	0	113.7	T86 N87 Q92 R96 R97 W98	T86-S94 CarbonylContact O-C 3.57Å; T86-S94 WeakPolarHBondContact O-CA 3.32Å; N87-S94 WeakPolarHBondContact OD1-CB 3.4Å; Q92-S94 PolarHBondContact O-N 3.08Å; S94-R96 PolarHBondContact O-N 3.14Å; S94-R96 WeakPolarHBondContact OG-CB 3.22Å; S94-R96 PolarHBondContact OG-N 2.85Å; S94-R97 PolarHBondContact O-N 3.3Å; S94-W98 PolarHBondContact O-N 3.07Å
95	S	97.6	Very high	94	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.9	171.7	64.7	0	0	0	0	114	T86 R97 C114	T86-S95 PolarHBondContact N-OG 2.83Å; T86-S95 PolarHBondContact O-N 3.49Å; T86-S95 PolarHBondContact O-OG 2.8Å; T86-S95 PolarHBondContact OG1-OG 3.43Å; T86-S95 VanDerWaalsContact OG1-OG 3.08Å; S95-R97 PolarHBondContact O-N 2.94Å; S95-C114 WeakPolarHBondContact CB-SG 3.39Å
96	R	95.9	Very high	93.5	Very high	141 Å²	141	45.2 Å²	45.2	53%	0.532	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.4	172.6	-166.8	-175.1	-75.2	162.3	8.1	111.6	D83 S94 P107	D83-R96 IonicContact OD1-NH2 3.91Å; D83-R96 PolarHBondContact OD1-NH2 3.02Å; D83-R96 IonicContact OD2-CZ 2.79Å; D83-R96 IonicContact OD2-NE 3.4Å; D83-R96 PolarHBondContact OD2-NE 2.83Å; D83-R96 IonicContact OD2-NH2 2.66Å; D83-R96 PolarHBondContact OD2-NH2 3.13Å; S94-R96 PolarHBondContact O-N 3.14Å; S94-R96 WeakPolarHBondContact OG-CB 3.22Å; S94-R96 PolarHBondContact OG-N 2.85Å; R96-P107 WeakPolarHBondContact O-CD 3.4Å
97	R	97.4	Very high	93.4	Very high	88 Å²	88	48.8 Å²	48.8	33%	0.332	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-41.3	-172.2	-172.9	170.5	175.1	176.9	-7.5	114.8	S94 S95 N108 L109 E135	S94-R97 PolarHBondContact O-N 3.3Å; S95-R97 PolarHBondContact O-N 2.94Å; R97-N108 PolarHBondContact O-N 3.46Å; R97-N108 VanDerWaalsContact O-N 3.16Å; R97-L109 HydrophobicContact CG-CD1 3.77Å; R97-L109 HydrophobicContact CG-CG 4.32Å; R97-L109 PolarHBondContact O-N 3.14Å; R97-L109 VanDerWaalsContact O-N 3.15Å; R97-E135 IonicContact CZ-OE2 2.66Å; R97-E135 IonicContact NH2-OE1 3.06Å; R97-E135 PolarHBondContact NH2-OE1 2.96Å; R97-E135 IonicContact NH2-OE2 3.26Å; R97-E135 PolarHBondContact NH2-OE2 2.98Å
98	W	98.4	Very high	93.4	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.015	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-39.1	-159.2	-62.9	107.7	0	0	0	114.3	I93 S94 N108 L109 C110 I132 E135 Y141	I93-W98 HydrophobicContact CG2-CB 3.39Å; I93-W98 HydrophobicContact CG2-CG 3.97Å; S94-W98 PolarHBondContact O-N 3.07Å; W98-N108 CarbonylContact O-C 3.39Å; W98-N108 PolarHBondContact O-OD1 2.99Å; W98-L109 HydrophobicContact CE3-CB 3.77Å; W98-L109 HydrophobicContact CE3-CD1 4.16Å; W98-L109 HydrophobicContact CE3-CG 4.49Å; W98-L109 HydrophobicContact CH2-CD1 4.13Å; W98-L109 HydrophobicContact CZ3-CB 3.92Å; W98-L109 HydrophobicContact CZ3-CD1 3.82Å; W98-L109 PolarHBondContact O-N 3.16Å; W98-C110 VanDerWaalsContact O-CB 3.24Å; W98-C110 WeakPolarHBondContact O-CB 3.34Å; W98-C110 PolarHBondContact O-N 3.45Å; W98-I132 HydrophobicContact CD2-CD1 3.87Å; W98-I132 HydrophobicContact CD2-CG1 3.48Å; W98-I132 VanDerWaalsContact CD2-CG1 3.48Å; W98-I132 HydrophobicContact CE3-CD1 4.34Å; W98-I132 HydrophobicContact CE3-CG1 3.58Å; W98-I132 HydrophobicContact CG-CD1 3.94Å; W98-I132 HydrophobicContact CG-CG1 4.11Å; W98-I132 HydrophobicContact CH2-CB 4.17Å; W98-I132 HydrophobicContact CH2-CG1 3.78Å; W98-I132 HydrophobicContact CH2-CG2 4.37Å; W98-I132 HydrophobicContact CZ2-CB 4.13Å; W98-I132 HydrophobicContact CZ2-CG1 3.68Å; W98-I132 HydrophobicContact CZ2-CG2 3.92Å; W98-I132 HydrophobicContact CZ3-CB 4.46Å; W98-I132 HydrophobicContact CZ3-CG1 3.73Å; W98-E135 HydrophobicContact CH2-CG 3.74Å; W98-E135 HydrophobicContact CZ2-CG 4.27Å; W98-Y141 HydrophobicContact CZ2-CE2 4.4Å; W98-Y141 AromaticContact NE1-CE1 3.45Å; W98-Y141 AromaticContact NE1-CZ 3.21Å; W98-Y141 PolarHBondContact NE1-OH 3.37Å
99	C	98.1	Very high	93.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.007	28%	0.281	C	S	.	.	S	Bend	trans	-125.3	164.4	-179.7	63.3	0	0	0	0	111	N108 I112 C114 L117	C99-N108 WeakPolarHBondContact CA-OD1 3.44Å; C99-I112 HydrophobicContact CB-CG2 3.92Å; C99-C114 HydrophobicContact CB-CB 3.96Å; C99-C114 WeakPolarHBondContact CB-SG 3.34Å; C99-C114 WeakPolarHBondContact SG-CA 3.31Å; C99-C114 WeakPolarHBondContact SG-CB 3.39Å; C99-C114 CovalentContact SG-SG 2.04Å; C99-C114 PolarHBondContact SG-SG 3Å; C99-L117 HydrophobicContact CB-CD1 3.86Å
100	R	96.9	Very high	93.4	Very high	116 Å²	116	52.9 Å²	52.9	44%	0.438	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-99.6	136.1	179.6	-177.3	175	-174.1	-174.1	3.2	111.7	N108 I112 Y113 C114	R100-N108 HydrophobicContact CB-CB 4.17Å; R100-N108 PolarHBondContact N-OD1 2.92Å; R100-I112 PolarHBondContact N-O 3.08Å; R100-Y113 HydrophobicContact CB-CD1 4.23Å; R100-Y113 HydrophobicContact CB-CE1 4.48Å; R100-Y113 HydrophobicContact CG-CD1 4.27Å; R100-Y113 HydrophobicContact CG-CE1 4.11Å; R100-Y113 WeakPolarHBondContact O-CA 3.36Å; R100-C114 VanDerWaalsContact C-SG 3.54Å; R100-C114 PolarHBondContact O-N 3.21Å; R100-C114 PolarHBondContact O-SG 3.39Å; R100-C114 VanDerWaalsContact O-SG 3.41Å
101	T	93.7	Very high	93.3	Very high	33 Å²	33	63.3 Å²	63.3	20%	0.202	32%	0.324	C	S	.	.			trans	-107.4	168.9	161.6	66.3	0	0	0	0	109.9	A103 S104 C114	T101-A103 PolarHBondContact O-N 3.42Å; T101-S104 WeakPolarHBondContact OG1-CB 3.42Å; T101-S104 PolarHBondContact OG1-N 2.92Å; T101-C114 HydrophobicContact CG2-CB 4.02Å
102	L	87.7	Confident	93.2	Very high	167 Å²	167	64.3 Å²	64.3	87%	0.874	33%	0.329	S	S	*	.	S	Bend	trans	-68	-26.8	175.2	-62.6	174.3	0	0	0	112.4
103	A	79.6	Confident	93.2	Very high	100 Å²	100	68.2 Å²	68.2	83%	0.826	34%	0.343	S	S	*	.	S	Bend	trans	-93.6	-24.6	-177.1	0	0	0	0	0	113.8	T101	T101-A103 PolarHBondContact O-N 3.42Å
104	S	73.6	Confident	93.1	Very high	33 Å²	33	68.3 Å²	68.3	23%	0.231	34%	0.344	C	S	.	.			trans	-107.4	135.6	-173.7	-177.3	0	0	0	0	112.7	T101	T101-S104 WeakPolarHBondContact OG1-CB 3.42Å; T101-S104 PolarHBondContact OG1-N 2.92Å
105	N	74.2	Confident	93.1	Very high	153 Å²	153	72.1 Å²	72.1	82%	0.818	37%	0.367	S	S	*	.			trans	-103.9	41.4	177	-69.5	-34.5	0	0	0	111.9
106	G	85.6	Confident	93	Very high	22 Å²	22	75.1 Å²	75.1	23%	0.227	38%	0.383	C	S	.	.			trans	-65.6	166	173.8	0	0	0	0	0	113.4	N108	G106-N108 PolarHBondContact O-N 3.32Å
107	P	95.2	Very high	93.1	Very high	92 Å²	92	68.4 Å²	68.4	60%	0.597	36%	0.358	S	S	*	.			trans	-55.7	-23.8	-178.7	-28.1	34.2	0	0	0	116.3	R96 L109	R96-P107 WeakPolarHBondContact O-CD 3.4Å; P107-L109 HydrophobicContact CB-CD2 3.82Å; P107-L109 HydrophobicContact CB-CG 4.04Å; P107-L109 PolarHBondContact O-N 3.16Å
108	N	97.3	Very high	93.1	Very high	32 Å²	32	65.6 Å²	65.6	17%	0.171	35%	0.349	C	S	.	.			trans	50.1	54.4	-179	-173.5	19.2	0	0	0	112.8	R97 W98 C99 R100 G106 C110 R111 I112	R97-N108 PolarHBondContact O-N 3.46Å; R97-N108 VanDerWaalsContact O-N 3.16Å; W98-N108 CarbonylContact O-C 3.39Å; W98-N108 PolarHBondContact O-OD1 2.99Å; C99-N108 WeakPolarHBondContact CA-OD1 3.44Å; R100-N108 HydrophobicContact CB-CB 4.17Å; R100-N108 PolarHBondContact N-OD1 2.92Å; G106-N108 PolarHBondContact O-N 3.32Å; N108-C110 PolarHBondContact O-N 2.9Å; N108-R111 WeakPolarHBondContact O-CA 3.49Å; N108-R111 PolarHBondContact O-N 3.26Å; N108-R111 WeakPolarHBondContact OD1-CA 3.39Å; N108-R111 PolarHBondContact OD1-N 2.76Å; N108-R111 VanDerWaalsContact OD1-N 3.16Å; N108-I112 PolarHBondContact OD1-N 3.44Å; N108-I112 PolarHBondContact OD1-O 2.63Å; N108-I112 VanDerWaalsContact OD1-O 3.07Å
109	L	98.3	Very high	92.9	Very high	71 Å²	71	68.9 Å²	68.9	37%	0.372	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27	-173.8	-60.6	-177.8	0	0	0	113.6	R97 W98 P107 R111	R97-L109 HydrophobicContact CG-CD1 3.77Å; R97-L109 HydrophobicContact CG-CG 4.32Å; R97-L109 PolarHBondContact O-N 3.14Å; R97-L109 VanDerWaalsContact O-N 3.15Å; W98-L109 HydrophobicContact CE3-CB 3.77Å; W98-L109 HydrophobicContact CE3-CD1 4.16Å; W98-L109 HydrophobicContact CE3-CG 4.49Å; W98-L109 HydrophobicContact CH2-CD1 4.13Å; W98-L109 HydrophobicContact CZ3-CB 3.92Å; W98-L109 HydrophobicContact CZ3-CD1 3.82Å; W98-L109 PolarHBondContact O-N 3.16Å; P107-L109 HydrophobicContact CB-CD2 3.82Å; P107-L109 HydrophobicContact CB-CG 4.04Å; P107-L109 PolarHBondContact O-N 3.16Å; L109-R111 VanDerWaalsContact C-N 3.31Å
110	C	98.3	Very high	92.8	Very high	12 Å²	12	70.9 Å²	70.9	8%	0.081	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-14.9	173.9	-66.4	0	0	0	0	113.2	W98 N108 I112 C128 K131	W98-C110 VanDerWaalsContact O-CB 3.24Å; W98-C110 WeakPolarHBondContact O-CB 3.34Å; W98-C110 PolarHBondContact O-N 3.45Å; N108-C110 PolarHBondContact O-N 2.9Å; C110-I112 HydrophobicContact CB-CG2 3.86Å; C110-C128 HydrophobicContact CB-CB 3.79Å; C110-C128 WeakPolarHBondContact CB-SG 3.42Å; C110-C128 WeakPolarHBondContact SG-CA 3.31Å; C110-C128 WeakPolarHBondContact SG-CB 3.2Å; C110-C128 CovalentContact SG-SG 2.03Å; C110-C128 PolarHBondContact SG-SG 3.43Å; C110-K131 PolarHBondContact O-NZ 2.66Å
111	R	97.4	Very high	92.7	Very high	219 Å²	219	69.5 Å²	69.5	83%	0.826	38%	0.379	S	S	*	.			trans	60.5	47.3	-179.1	-57.3	-178	179.5	173	-0.5	113	N108 L109	N108-R111 WeakPolarHBondContact O-CA 3.49Å; N108-R111 PolarHBondContact O-N 3.26Å; N108-R111 WeakPolarHBondContact OD1-CA 3.39Å; N108-R111 PolarHBondContact OD1-N 2.76Å; N108-R111 VanDerWaalsContact OD1-N 3.16Å; L109-R111 VanDerWaalsContact C-N 3.31Å
112	I	97.3	Very high	92.9	Very high	22 Å²	22	68 Å²	68	11%	0.113	37%	0.369	C	S	.	.	S	Bend	trans	-141.8	156.2	-173.9	-162.9	172.2	0	0	0	111	C99 R100 N108 C110 D116 L117 D124	C99-I112 HydrophobicContact CB-CG2 3.92Å; R100-I112 PolarHBondContact N-O 3.08Å; N108-I112 PolarHBondContact OD1-N 3.44Å; N108-I112 PolarHBondContact OD1-O 2.63Å; N108-I112 VanDerWaalsContact OD1-O 3.07Å; C110-I112 HydrophobicContact CB-CG2 3.86Å; I112-D116 HydrophobicContact CD1-CB 3.55Å; I112-D116 HydrophobicContact CG1-CB 3.64Å; I112-D116 VanDerWaalsContact CG1-OD2 3.27Å; I112-D116 WeakPolarHBondContact CG1-OD2 3.42Å; I112-L117 HydrophobicContact CD1-CD2 4.19Å; I112-L117 HydrophobicContact CG2-CD2 4.24Å; I112-L117 HydrophobicContact CG2-CG 4.5Å; I112-D124 HydrophobicContact CD1-CB 3.46Å; I112-D124 VanDerWaalsContact CD1-CB 3.46Å
113	Y	97.5	Very high	93.4	Very high	108 Å²	108	65.5 Å²	65.5	42%	0.424	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-78	143.5	167.4	-72.3	-74.8	0	0	0	110.2	R100 T115 D116	R100-Y113 HydrophobicContact CB-CD1 4.23Å; R100-Y113 HydrophobicContact CB-CE1 4.48Å; R100-Y113 HydrophobicContact CG-CD1 4.27Å; R100-Y113 HydrophobicContact CG-CE1 4.11Å; R100-Y113 WeakPolarHBondContact O-CA 3.36Å; Y113-T115 PolarHBondContact O-N 3.19Å; Y113-T115 VanDerWaalsContact O-N 3.16Å; Y113-D116 WeakPolarHBondContact CB-OD2 3.2Å; Y113-D116 PolarHBondContact N-OD2 3.48Å; Y113-D116 WeakPolarHBondContact O-CB 3.33Å; Y113-D116 PolarHBondContact O-N 2.9Å
114	C	97.7	Very high	94.2	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.02	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-62.3	-25	179.2	-59.5	0	0	0	0	112.7	N88 S95 C99 R100 T101 D116 L117	N88-C114 HydrophobicContact CB-CB 4.34Å; S95-C114 WeakPolarHBondContact CB-SG 3.39Å; C99-C114 HydrophobicContact CB-CB 3.96Å; C99-C114 WeakPolarHBondContact CB-SG 3.34Å; C99-C114 WeakPolarHBondContact SG-CA 3.31Å; C99-C114 WeakPolarHBondContact SG-CB 3.39Å; C99-C114 CovalentContact SG-SG 2.04Å; C99-C114 PolarHBondContact SG-SG 3Å; R100-C114 VanDerWaalsContact C-SG 3.54Å; R100-C114 PolarHBondContact O-N 3.21Å; R100-C114 PolarHBondContact O-SG 3.39Å; R100-C114 VanDerWaalsContact O-SG 3.41Å; T101-C114 HydrophobicContact CG2-CB 4.02Å; C114-D116 VanDerWaalsContact C-N 3.27Å; C114-D116 PolarHBondContact O-N 3.33Å; C114-L117 WeakPolarHBondContact O-CB 3.32Å; C114-L117 PolarHBondContact O-N 2.81Å
115	T	96.6	Very high	95.4	Very high	97 Å²	97	62.3 Å²	62.3	60%	0.595	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-65.5	-28.7	174.2	49.6	0	0	0	0	113.1	Y113 L117 L118	Y113-T115 PolarHBondContact O-N 3.19Å; Y113-T115 VanDerWaalsContact O-N 3.16Å; T115-L117 PolarHBondContact O-N 3.13Å; T115-L118 WeakPolarHBondContact O-CB 3.03Å; T115-L118 PolarHBondContact O-N 3.4Å; T115-L118 VanDerWaalsContact O-N 3.16Å
116	D	96.9	Very high	96.6	Very high	64 Å²	64	55.1 Å²	55.1	34%	0.342	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-71.8	-23	179	-54.5	-34.6	0	0	0	111	I112 Y113 C114 L118 N119	I112-D116 HydrophobicContact CD1-CB 3.55Å; I112-D116 HydrophobicContact CG1-CB 3.64Å; I112-D116 VanDerWaalsContact CG1-OD2 3.27Å; I112-D116 WeakPolarHBondContact CG1-OD2 3.42Å; Y113-D116 WeakPolarHBondContact CB-OD2 3.2Å; Y113-D116 PolarHBondContact N-OD2 3.48Å; Y113-D116 WeakPolarHBondContact O-CB 3.33Å; Y113-D116 PolarHBondContact O-N 2.9Å; C114-D116 VanDerWaalsContact C-N 3.27Å; C114-D116 PolarHBondContact O-N 3.33Å; D116-L118 PolarHBondContact O-N 2.82Å; D116-N119 WeakPolarHBondContact O-CB 3.26Å; D116-N119 PolarHBondContact O-N 3.22Å
117	L	98.2	Very high	97.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-73.9	-8.4	173.9	-54.1	178	0	0	0	113.2	N88 G89 I93 C99 I112 C114 T115 N119 D124 S125 C128	N88-L117 HydrophobicContact CB-CB 4.38Å; N88-L117 HydrophobicContact CB-CD1 4.34Å; G89-L117 WeakPolarHBondContact CA-O 3.2Å; I93-L117 HydrophobicContact CB-CD1 3.89Å; I93-L117 HydrophobicContact CD1-CD1 4.34Å; I93-L117 HydrophobicContact CG2-CD1 3.9Å; C99-L117 HydrophobicContact CB-CD1 3.86Å; I112-L117 HydrophobicContact CD1-CD2 4.19Å; I112-L117 HydrophobicContact CG2-CD2 4.24Å; I112-L117 HydrophobicContact CG2-CG 4.5Å; C114-L117 WeakPolarHBondContact O-CB 3.32Å; C114-L117 PolarHBondContact O-N 2.81Å; T115-L117 PolarHBondContact O-N 3.13Å; L117-N119 VanDerWaalsContact C-N 3.35Å; L117-D124 HydrophobicContact CD2-CB 4.42Å; L117-S125 PolarHBondContact O-OG 2.98Å; L117-C128 HydrophobicContact CD2-CB 4.38Å
118	L	97.4	Very high	97.4	Very high	29 Å²	29	52.9 Å²	52.9	15%	0.152	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-93.2	4.7	179.1	-51.2	-179.1	0	0	0	112.9	T75 V78 N88 T115 D116	T75-L118 WeakPolarHBondContact O-CA 3.43Å; V78-L118 HydrophobicContact CG2-CD1 3.82Å; V78-L118 HydrophobicContact CG2-CD2 3.71Å; V78-L118 HydrophobicContact CG2-CG 4.45Å; N88-L118 HydrophobicContact CB-CD2 4.09Å; T115-L118 WeakPolarHBondContact O-CB 3.03Å; T115-L118 PolarHBondContact O-N 3.4Å; T115-L118 VanDerWaalsContact O-N 3.16Å; D116-L118 PolarHBondContact O-N 2.82Å
119	N	93.8	Very high	97.5	Very high	72 Å²	72	51.3 Å²	51.3	39%	0.385	25%	0.252	S	S	.	.	S	Bend	trans	-70.9	154	-179.8	-157.9	-29.9	0	0	0	111.5	T75 D116 L117 D121	T75-N119 WeakPolarHBondContact CB-O 3.38Å; D116-N119 WeakPolarHBondContact O-CB 3.26Å; D116-N119 PolarHBondContact O-N 3.22Å; L117-N119 VanDerWaalsContact C-N 3.35Å; N119-D121 VanDerWaalsContact C-N 3.3Å; N119-D121 PolarHBondContact OD1-N 2.89Å
120	N	94.9	Very high	97.5	Very high	43 Å²	43	50 Å²	50	23%	0.23	24%	0.244	C	C	.	.	S	Bend	trans	-70.8	-29.3	172.5	-67.6	-3.9	0	0	0	111.9	K34 K36 T75	K34-N120 PolarHBondContact O-ND2 3.36Å; K34-N120 PolarHBondContact O-OD1 3.41Å; K36-N120 HydrophobicContact CB-CB 4.05Å; K36-N120 WeakPolarHBondContact CB-OD1 3.32Å; K36-N120 HydrophobicContact CD-CB 4.35Å; K36-N120 PolarHBondContact N-OD1 2.94Å; T75-N120 PolarHBondContact OG1-OD1 3.3Å
121	D	95.3	Very high	97.5	Very high	87 Å²	87	53 Å²	53	47%	0.465	26%	0.256	S	S	.	.	S	Bend	trans	-72.9	121.9	167.7	-176.3	-17.3	0	0	0	109.1	N119 K123	N119-D121 VanDerWaalsContact C-N 3.3Å; N119-D121 PolarHBondContact OD1-N 2.89Å; D121-K123 VanDerWaalsContact C-N 3.3Å; D121-K123 PolarHBondContact O-N 2.03Å; D121-K123 WeakPolarHBondContact OD1-CB 3.08Å; D121-K123 PolarHBondContact OD1-N 3.16Å
122	L	97.4	Very high	97.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.217	C	C	.	.			trans	-80.5	-7.8	-174.7	-61.8	-176.1	0	0	0	113.9	F38 L43 E46 F50 T75 I90 D124 S125 I126	F38-L122 HydrophobicContact CE1-CD1 4.43Å; F38-L122 HydrophobicContact CE2-CD1 3.9Å; F38-L122 HydrophobicContact CE2-CD2 3.78Å; F38-L122 HydrophobicContact CE2-CG 3.91Å; F38-L122 HydrophobicContact CZ-CD1 3.81Å; F38-L122 HydrophobicContact CZ-CD2 4.3Å; F38-L122 HydrophobicContact CZ-CG 3.92Å; L43-L122 HydrophobicContact CD1-CD1 3.37Å; E46-L122 HydrophobicContact CB-CD1 4.12Å; F50-L122 HydrophobicContact CE2-CB 4.42Å; T75-L122 HydrophobicContact CG2-CD2 3.69Å; I90-L122 HydrophobicContact CB-CD2 4.37Å; I90-L122 HydrophobicContact CD1-CD1 4.19Å; I90-L122 HydrophobicContact CD1-CD2 3.78Å; I90-L122 HydrophobicContact CG2-CD2 4.07Å; L122-D124 VanDerWaalsContact C-N 3.34Å; L122-D124 PolarHBondContact O-N 3.02Å; L122-S125 PolarHBondContact O-N 3.21Å; L122-S125 VanDerWaalsContact O-N 3.13Å; L122-I126 HydrophobicContact CB-CD1 3.69Å; L122-I126 HydrophobicContact CB-CG1 4.11Å; L122-I126 HydrophobicContact CD1-CD1 4.48Å; L122-I126 WeakPolarHBondContact O-CB 3.43Å; L122-I126 WeakPolarHBondContact O-CG1 3.47Å; L122-I126 PolarHBondContact O-N 3.25Å
123	K	98.1	Very high	97.7	Very high	115 Å²	115	41.6 Å²	41.6	50%	0.5	21%	0.211	S	C	.	.	H	α-helix	trans	-48.6	-51.8	-171.9	178.1	-179.6	176.6	-177.1	0	113.3	F50 D121 I126 V127	F50-K123 HydrophobicContact CE1-CB 3.87Å; F50-K123 HydrophobicContact CE1-CG 4.13Å; F50-K123 HydrophobicContact CZ-CB 3.89Å; D121-K123 VanDerWaalsContact C-N 3.3Å; D121-K123 PolarHBondContact O-N 2.03Å; D121-K123 WeakPolarHBondContact OD1-CB 3.08Å; D121-K123 PolarHBondContact OD1-N 3.16Å; K123-I126 PolarHBondContact O-N 2.9Å; K123-V127 WeakPolarHBondContact O-CB 3.4Å; K123-V127 VanDerWaalsContact O-CG2 3.26Å; K123-V127 WeakPolarHBondContact O-CG2 3.38Å; K123-V127 PolarHBondContact O-N 3.06Å
124	D	98.4	Very high	97.7	Very high	65 Å²	65	41.5 Å²	41.5	35%	0.348	22%	0.215	S	C	.	.	H	α-helix	trans	-69.6	-39.2	-175.9	-75	-33.9	0	0	0	112.3	I112 L117 L122 C128	I112-D124 HydrophobicContact CD1-CB 3.46Å; I112-D124 VanDerWaalsContact CD1-CB 3.46Å; L117-D124 HydrophobicContact CD2-CB 4.42Å; L122-D124 VanDerWaalsContact C-N 3.34Å; L122-D124 PolarHBondContact O-N 3.02Å; D124-C128 WeakPolarHBondContact O-CB 3.45Å; D124-C128 PolarHBondContact O-N 3.3Å
125	S	98.6	Very high	97.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-44	173.5	-71.9	0	0	0	0	111.9	L117 L122 C128 A129	L117-S125 PolarHBondContact O-OG 2.98Å; L122-S125 PolarHBondContact O-N 3.21Å; L122-S125 VanDerWaalsContact O-N 3.13Å; S125-C128 PolarHBondContact O-N 2.79Å; S125-A129 WeakPolarHBondContact O-CB 3.26Å; S125-A129 PolarHBondContact O-N 3.4Å
126	I	98.8	Very high	97.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-48.7	178.1	-72.2	173.4	0	0	0	110.9	F50 L52 F91 L122 K123 C128 A129 M130	F50-I126 HydrophobicContact CB-CD1 3.77Å; F50-I126 HydrophobicContact CB-CG2 4.06Å; F50-I126 HydrophobicContact CD1-CD1 4.31Å; F50-I126 HydrophobicContact CD2-CD1 3.27Å; F50-I126 HydrophobicContact CE2-CD1 3.9Å; F50-I126 HydrophobicContact CG-CD1 3.53Å; F50-I126 HydrophobicContact CG-CG2 4.35Å; L52-I126 HydrophobicContact CD1-CD1 4.33Å; L52-I126 HydrophobicContact CD1-CG1 4.16Å; L52-I126 HydrophobicContact CD1-CG2 4.05Å; L52-I126 HydrophobicContact CD2-CG2 4.02Å; L52-I126 HydrophobicContact CG-CG2 4.12Å; F91-I126 HydrophobicContact CE2-CG1 3.95Å; F91-I126 HydrophobicContact CZ-CG1 4.29Å; L122-I126 HydrophobicContact CB-CD1 3.69Å; L122-I126 HydrophobicContact CB-CG1 4.11Å; L122-I126 HydrophobicContact CD1-CD1 4.48Å; L122-I126 WeakPolarHBondContact O-CB 3.43Å; L122-I126 WeakPolarHBondContact O-CG1 3.47Å; L122-I126 PolarHBondContact O-N 3.25Å; K123-I126 PolarHBondContact O-N 2.9Å; I126-C128 VanDerWaalsContact C-N 3.26Å; I126-C128 PolarHBondContact O-N 3.01Å; I126-A129 PolarHBondContact O-N 2.91Å; I126-A129 VanDerWaalsContact O-N 3.16Å; I126-M130 HydrophobicContact CG2-CG 4.25Å; I126-M130 HydrophobicContact CG2-SD 3.89Å; I126-M130 WeakPolarHBondContact O-CB 3.16Å; I126-M130 VanDerWaalsContact O-CG 3.26Å; I126-M130 WeakPolarHBondContact O-CG 3.06Å; I126-M130 PolarHBondContact O-N 3.41Å
127	V	98.8	Very high	97.8	Very high	65 Å²	65	48.5 Å²	48.5	39%	0.394	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-40.2	178.3	168.3	0	0	0	0	111.2	K123 K131	K123-V127 WeakPolarHBondContact O-CB 3.4Å; K123-V127 VanDerWaalsContact O-CG2 3.26Å; K123-V127 WeakPolarHBondContact O-CG2 3.38Å; K123-V127 PolarHBondContact O-N 3.06Å; V127-K131 PolarHBondContact O-N 3.25Å
128	C	98.8	Very high	97.8	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-44.7	176.4	-170.7	0	0	0	0	111.6	I93 C110 L117 D124 S125 I126 M130 K131 I132	I93-C128 HydrophobicContact CD1-CB 3.82Å; C110-C128 HydrophobicContact CB-CB 3.79Å; C110-C128 WeakPolarHBondContact CB-SG 3.42Å; C110-C128 WeakPolarHBondContact SG-CA 3.31Å; C110-C128 WeakPolarHBondContact SG-CB 3.2Å; C110-C128 CovalentContact SG-SG 2.03Å; C110-C128 PolarHBondContact SG-SG 3.43Å; L117-C128 HydrophobicContact CD2-CB 4.38Å; D124-C128 WeakPolarHBondContact O-CB 3.45Å; D124-C128 PolarHBondContact O-N 3.3Å; S125-C128 PolarHBondContact O-N 2.79Å; I126-C128 VanDerWaalsContact C-N 3.26Å; I126-C128 PolarHBondContact O-N 3.01Å; C128-M130 VanDerWaalsContact C-N 3.32Å; C128-M130 PolarHBondContact O-N 2.04Å; C128-K131 WeakPolarHBondContact O-CB 3.47Å; C128-K131 PolarHBondContact O-N 3.16Å; C128-I132 WeakPolarHBondContact O-CG1 3.24Å; C128-I132 PolarHBondContact O-N 3.26Å
129	A	98.8	Very high	97.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-39.7	175.6	0	0	0	0	0	112.7	W63 F91 S125 I126 K131 I132 V133 W142	W63-A129 HydrophobicContact CZ3-CB 4.03Å; F91-A129 HydrophobicContact CD2-CB 3.7Å; F91-A129 HydrophobicContact CE2-CB 3.92Å; F91-A129 HydrophobicContact CG-CB 4.3Å; S125-A129 WeakPolarHBondContact O-CB 3.26Å; S125-A129 PolarHBondContact O-N 3.4Å; I126-A129 PolarHBondContact O-N 2.91Å; I126-A129 VanDerWaalsContact O-N 3.16Å; A129-K131 VanDerWaalsContact C-N 3.29Å; A129-K131 PolarHBondContact O-N 3.4Å; A129-I132 WeakPolarHBondContact O-CB 3.42Å; A129-I132 PolarHBondContact O-N 3.01Å; A129-I132 VanDerWaalsContact O-N 3.08Å; A129-V133 PolarHBondContact O-N 3.15Å; A129-W142 HydrophobicContact CB-CH2 4.27Å; A129-W142 HydrophobicContact CB-CZ2 4.37Å
130	M	98.8	Very high	98.1	Very high	44 Å²	44	44.3 Å²	44.3	22%	0.217	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-36.3	173.6	-72.4	174.4	83.6	0	0	112.5	L52 Y55 I126 C128 V133 Q134	L52-M130 HydrophobicContact CD2-CG 3.68Å; L52-M130 HydrophobicContact CD2-SD 4.15Å; Y55-M130 HydrophobicContact CD1-CE 4.41Å; Y55-M130 HydrophobicContact CD1-CG 4.09Å; Y55-M130 HydrophobicContact CD2-CE 3.66Å; Y55-M130 HydrophobicContact CE1-CB 3.69Å; Y55-M130 HydrophobicContact CE1-CE 4.11Å; Y55-M130 HydrophobicContact CE1-CG 3.74Å; Y55-M130 HydrophobicContact CE2-CE 3.31Å; Y55-M130 HydrophobicContact CG-CE 4.21Å; Y55-M130 PolarHBondContact OH-O 2.88Å; I126-M130 HydrophobicContact CG2-CG 4.25Å; I126-M130 HydrophobicContact CG2-SD 3.89Å; I126-M130 WeakPolarHBondContact O-CB 3.16Å; I126-M130 VanDerWaalsContact O-CG 3.26Å; I126-M130 WeakPolarHBondContact O-CG 3.06Å; I126-M130 PolarHBondContact O-N 3.41Å; C128-M130 VanDerWaalsContact C-N 3.32Å; C128-M130 PolarHBondContact O-N 2.04Å; M130-V133 WeakPolarHBondContact O-CG2 3.46Å; M130-Q134 WeakPolarHBondContact O-CG 3.35Å; M130-Q134 PolarHBondContact O-NE2 3.49Å
131	K	98.8	Very high	98.3	Very high	75 Å²	75	45.6 Å²	45.6	33%	0.326	24%	0.236	S	C	.	.	H	α-helix	trans	-67.8	-41.6	172.1	-71.1	174.7	178.3	178.7	0	111.5	C110 V127 C128 A129 V133 Q134	C110-K131 PolarHBondContact O-NZ 2.66Å; V127-K131 PolarHBondContact O-N 3.25Å; C128-K131 WeakPolarHBondContact O-CB 3.47Å; C128-K131 PolarHBondContact O-N 3.16Å; A129-K131 VanDerWaalsContact C-N 3.29Å; A129-K131 PolarHBondContact O-N 3.4Å; K131-V133 PolarHBondContact O-N 3.16Å; K131-Q134 WeakPolarHBondContact O-CB 3.04Å; K131-Q134 PolarHBondContact O-N 3.37Å
132	I	98.8	Very high	98.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-46.4	-179.1	-63.2	169.5	0	0	0	111	I93 W98 C128 A129 Q134 E135 Y141 W142	I93-I132 HydrophobicContact CD1-CD1 4.17Å; I93-I132 HydrophobicContact CG1-CD1 4.02Å; I93-I132 HydrophobicContact CG2-CD1 4.1Å; W98-I132 HydrophobicContact CD2-CD1 3.87Å; W98-I132 HydrophobicContact CD2-CG1 3.48Å; W98-I132 VanDerWaalsContact CD2-CG1 3.48Å; W98-I132 HydrophobicContact CE3-CD1 4.34Å; W98-I132 HydrophobicContact CE3-CG1 3.58Å; W98-I132 HydrophobicContact CG-CD1 3.94Å; W98-I132 HydrophobicContact CG-CG1 4.11Å; W98-I132 HydrophobicContact CH2-CB 4.17Å; W98-I132 HydrophobicContact CH2-CG1 3.78Å; W98-I132 HydrophobicContact CH2-CG2 4.37Å; W98-I132 HydrophobicContact CZ2-CB 4.13Å; W98-I132 HydrophobicContact CZ2-CG1 3.68Å; W98-I132 HydrophobicContact CZ2-CG2 3.92Å; W98-I132 HydrophobicContact CZ3-CB 4.46Å; W98-I132 HydrophobicContact CZ3-CG1 3.73Å; C128-I132 WeakPolarHBondContact O-CG1 3.24Å; C128-I132 PolarHBondContact O-N 3.26Å; A129-I132 WeakPolarHBondContact O-CB 3.42Å; A129-I132 PolarHBondContact O-N 3.01Å; A129-I132 VanDerWaalsContact O-N 3.08Å; I132-Q134 PolarHBondContact O-N 3.16Å; I132-Q134 VanDerWaalsContact O-N 3.12Å; I132-E135 VanDerWaalsContact O-CB 3.22Å; I132-E135 WeakPolarHBondContact O-CB 3.41Å; I132-E135 VanDerWaalsContact O-CG 3.32Å; I132-E135 WeakPolarHBondContact O-CG 3.27Å; I132-E135 PolarHBondContact O-N 3.06Å; I132-Y141 HydrophobicContact CG2-CD1 3.46Å; I132-Y141 VanDerWaalsContact CG2-CD1 3.46Å; I132-Y141 HydrophobicContact CG2-CD2 4.45Å; I132-Y141 HydrophobicContact CG2-CE1 4.06Å; I132-Y141 HydrophobicContact CG2-CG 3.69Å; I132-W142 HydrophobicContact CB-CH2 3.53Å; I132-W142 HydrophobicContact CB-CZ2 4.21Å; I132-W142 HydrophobicContact CB-CZ3 4.15Å; I132-W142 HydrophobicContact CD1-CH2 3.93Å; I132-W142 HydrophobicContact CD1-CZ2 3.68Å; I132-W142 HydrophobicContact CG1-CH2 4.3Å; I132-W142 HydrophobicContact CG2-CE3 4.35Å; I132-W142 HydrophobicContact CG2-CH2 3.29Å; I132-W142 HydrophobicContact CG2-CZ2 3.94Å; I132-W142 HydrophobicContact CG2-CZ3 3.5Å; I132-W142 VanDerWaalsContact CG2-CZ3 3.5Å
133	V	98.7	Very high	98.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-4.2	-178.3	-59.9	0	0	0	0	114.5	Y55 R56 W63 A129 M130 K131 E135 L139 W142	Y55-V133 HydrophobicContact CD1-CG2 3.81Å; Y55-V133 HydrophobicContact CE1-CG2 3.41Å; Y55-V133 VanDerWaalsContact CE1-CG2 3.41Å; R56-V133 HydrophobicContact CG-CG2 4.07Å; W63-V133 HydrophobicContact CH2-CB 4.36Å; W63-V133 HydrophobicContact CH2-CG1 3.6Å; W63-V133 HydrophobicContact CH2-CG2 3.88Å; W63-V133 HydrophobicContact CZ2-CG1 4.36Å; W63-V133 HydrophobicContact CZ2-CG2 4.35Å; W63-V133 HydrophobicContact CZ3-CG1 4.24Å; A129-V133 PolarHBondContact O-N 3.15Å; M130-V133 WeakPolarHBondContact O-CG2 3.46Å; K131-V133 PolarHBondContact O-N 3.16Å; V133-E135 VanDerWaalsContact C-N 3.29Å; V133-L139 HydrophobicContact CG1-CD2 3.47Å; V133-L139 VanDerWaalsContact CG1-CD2 3.47Å; V133-L139 HydrophobicContact CG1-CG 4.02Å; V133-W142 HydrophobicContact CG1-CH2 4.11Å; V133-W142 HydrophobicContact CG1-CZ3 3.7Å
134	Q	98.4	Very high	98.5	Very high	105 Å²	105	43.1 Å²	43.1	49%	0.491	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.8	168.8	-69.5	167.6	55.5	0	0	111.9	Y55 M130 K131 I132	Y55-Q134 PolarHBondContact OH-NE2 2.66Å; Y55-Q134 VanDerWaalsContact OH-NE2 3.09Å; M130-Q134 WeakPolarHBondContact O-CG 3.35Å; M130-Q134 PolarHBondContact O-NE2 3.49Å; K131-Q134 WeakPolarHBondContact O-CB 3.04Å; K131-Q134 PolarHBondContact O-N 3.37Å; I132-Q134 PolarHBondContact O-N 3.16Å; I132-Q134 VanDerWaalsContact O-N 3.12Å
135	E	97.9	Very high	98.5	Very high	66 Å²	66	40.7 Å²	40.7	31%	0.308	21%	0.212	S	C	.	.	S	Bend	trans	-65	159.1	172.7	-61.6	-76.7	142.1	0	0	111.2	R97 W98 I132 V133 L137 G138	R97-E135 IonicContact CZ-OE2 2.66Å; R97-E135 IonicContact NH2-OE1 3.06Å; R97-E135 PolarHBondContact NH2-OE1 2.96Å; R97-E135 IonicContact NH2-OE2 3.26Å; R97-E135 PolarHBondContact NH2-OE2 2.98Å; W98-E135 HydrophobicContact CH2-CG 3.74Å; W98-E135 HydrophobicContact CZ2-CG 4.27Å; I132-E135 VanDerWaalsContact O-CB 3.22Å; I132-E135 WeakPolarHBondContact O-CB 3.41Å; I132-E135 VanDerWaalsContact O-CG 3.32Å; I132-E135 WeakPolarHBondContact O-CG 3.27Å; I132-E135 PolarHBondContact O-N 3.06Å; V133-E135 VanDerWaalsContact C-N 3.29Å; E135-L137 PolarHBondContact O-N 2.91Å; E135-G138 PolarHBondContact O-N 2.86Å
136	P	98.1	Very high	98.5	Very high	132 Å²	132	45 Å²	45	86%	0.857	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.8	-171.9	-29.6	36.6	0	0	0	116.4
137	L	97.9	Very high	98.5	Very high	113 Å²	113	49.8 Å²	49.8	59%	0.592	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.4	-179.4	-66.8	176.6	0	0	0	113.9	E135 L139 G140	E135-L137 PolarHBondContact O-N 2.91Å; L137-L139 PolarHBondContact O-N 3.28Å; L137-G140 VanDerWaalsContact O-CA 3.28Å; L137-G140 WeakPolarHBondContact O-CA 3.35Å; L137-G140 PolarHBondContact O-N 3.28Å
138	G	98.5	Very high	98.5	Very high	6 Å²	6	50.4 Å²	50.4	6%	0.062	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	55.5	-134.7	-173.1	0	0	0	0	0	112.2	Y58 E135 G140 Y141	Y58-G138 WeakPolarHBondContact OH-CA 3.39Å; E135-G138 PolarHBondContact O-N 2.86Å; G138-G140 PolarHBondContact O-N 3.28Å; G138-Y141 WeakPolarHBondContact O-CB 3.46Å; G138-Y141 PolarHBondContact O-N 2.75Å
139	L	98.6	Very high	98.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-65.4	-17.4	172.8	-69.5	-177.9	0	0	0	113.3	Y58 D62 W63 L66 V133 L137 Y141 W142 W145	Y58-L139 HydrophobicContact CD1-CB 4.35Å; Y58-L139 HydrophobicContact CD1-CD1 3.43Å; Y58-L139 VanDerWaalsContact CD1-CD1 3.43Å; Y58-L139 HydrophobicContact CD1-CG 3.94Å; Y58-L139 HydrophobicContact CD2-CD1 3.92Å; Y58-L139 HydrophobicContact CD2-CG 3.76Å; Y58-L139 HydrophobicContact CE1-CB 3.93Å; Y58-L139 HydrophobicContact CE1-CD1 3.89Å; Y58-L139 HydrophobicContact CE1-CG 3.97Å; Y58-L139 HydrophobicContact CE2-CB 4.21Å; Y58-L139 HydrophobicContact CE2-CD1 4.33Å; Y58-L139 HydrophobicContact CE2-CG 3.79Å; Y58-L139 HydrophobicContact CG-CD1 3.43Å; Y58-L139 VanDerWaalsContact CG-CD1 3.43Å; Y58-L139 HydrophobicContact CG-CG 3.81Å; Y58-L139 PolarHBondContact OH-N 3.22Å; Y58-L139 VanDerWaalsContact OH-N 3.1Å; D62-L139 HydrophobicContact CB-CD1 3.62Å; W63-L139 HydrophobicContact CD2-CD2 4.44Å; W63-L139 HydrophobicContact CE3-CD2 4.03Å; W63-L139 HydrophobicContact CH2-CD2 3.89Å; W63-L139 HydrophobicContact CZ2-CD2 4.27Å; W63-L139 HydrophobicContact CZ3-CD2 3.75Å; L66-L139 HydrophobicContact CD2-CD2 3.88Å; V133-L139 HydrophobicContact CG1-CD2 3.47Å; V133-L139 VanDerWaalsContact CG1-CD2 3.47Å; V133-L139 HydrophobicContact CG1-CG 4.02Å; L137-L139 PolarHBondContact O-N 3.28Å; L139-Y141 PolarHBondContact O-N 3.41Å; L139-W142 HydrophobicContact CD2-CE3 4.28Å; L139-W142 HydrophobicContact CD2-CZ3 4Å; L139-W142 PolarHBondContact O-N 3.49Å; L139-W142 VanDerWaalsContact O-N 3.09Å; L139-W145 HydrophobicContact CB-CD2 3.65Å; L139-W145 HydrophobicContact CB-CE3 3.93Å; L139-W145 HydrophobicContact CB-CG 4.06Å; L139-W145 HydrophobicContact CB-CH2 4.38Å; L139-W145 HydrophobicContact CB-CZ2 4.14Å; L139-W145 HydrophobicContact CB-CZ3 4.28Å; L139-W145 HydrophobicContact CD1-CZ2 4.26Å
140	G	98.6	Very high	98.5	Very high	7 Å²	7	55.3 Å²	55.3	7%	0.072	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-62.1	-9.5	171.7	0	0	0	0	0	114	L137 G138 W142 R146	L137-G140 VanDerWaalsContact O-CA 3.28Å; L137-G140 WeakPolarHBondContact O-CA 3.35Å; L137-G140 PolarHBondContact O-N 3.28Å; G138-G140 PolarHBondContact O-N 3.28Å; G140-W142 VanDerWaalsContact C-N 3.26Å; G140-W142 PolarHBondContact O-N 3.23Å; G140-R146 VanDerWaalsContact O-CD 3.31Å; G140-R146 WeakPolarHBondContact O-CD 3.45Å; G140-R146 PolarHBondContact O-NH1 2.9Å
141	Y	98.6	Very high	98.5	Very high	70 Å²	70	57.3 Å²	57.3	28%	0.275	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-58.7	-38.6	169	-179	-100.8	0	0	0	112	W98 I132 G138 L139 R146	W98-Y141 HydrophobicContact CZ2-CE2 4.4Å; W98-Y141 AromaticContact NE1-CE1 3.45Å; W98-Y141 AromaticContact NE1-CZ 3.21Å; W98-Y141 PolarHBondContact NE1-OH 3.37Å; I132-Y141 HydrophobicContact CG2-CD1 3.46Å; I132-Y141 VanDerWaalsContact CG2-CD1 3.46Å; I132-Y141 HydrophobicContact CG2-CD2 4.45Å; I132-Y141 HydrophobicContact CG2-CE1 4.06Å; I132-Y141 HydrophobicContact CG2-CG 3.69Å; G138-Y141 WeakPolarHBondContact O-CB 3.46Å; G138-Y141 PolarHBondContact O-N 2.75Å; L139-Y141 PolarHBondContact O-N 3.41Å; Y141-R146 PolarHBondContact O-NH1 3.33Å
142	W	98.7	Very high	98.4	Very high	14 Å²	14	61.2 Å²	61.2	5%	0.053	32%	0.316	C	S	.	.			trans	-84.4	121.5	-180	-70.5	-96.9	0	0	0	111.3	L66 F91 A129 I132 V133 L139 G140 A144 W145 R146	L66-W142 HydrophobicContact CD1-CB 3.5Å; L66-W142 VanDerWaalsContact CD1-CB 3.5Å; L66-W142 HydrophobicContact CD1-CD2 3.98Å; L66-W142 HydrophobicContact CD1-CG 3.45Å; L66-W142 VanDerWaalsContact CD1-CG 3.45Å; L66-W142 HydrophobicContact CD2-CD2 4.02Å; L66-W142 HydrophobicContact CD2-CE3 4.26Å; L66-W142 HydrophobicContact CD2-CG 4.37Å; L66-W142 HydrophobicContact CD2-CZ2 4.42Å; F91-W142 HydrophobicContact CB-CZ2 4.47Å; F91-W142 PolarHBondContact O-NE1 3.37Å; A129-W142 HydrophobicContact CB-CH2 4.27Å; A129-W142 HydrophobicContact CB-CZ2 4.37Å; I132-W142 HydrophobicContact CB-CH2 3.53Å; I132-W142 HydrophobicContact CB-CZ2 4.21Å; I132-W142 HydrophobicContact CB-CZ3 4.15Å; I132-W142 HydrophobicContact CD1-CH2 3.93Å; I132-W142 HydrophobicContact CD1-CZ2 3.68Å; I132-W142 HydrophobicContact CG1-CH2 4.3Å; I132-W142 HydrophobicContact CG2-CE3 4.35Å; I132-W142 HydrophobicContact CG2-CH2 3.29Å; I132-W142 HydrophobicContact CG2-CZ2 3.94Å; I132-W142 HydrophobicContact CG2-CZ3 3.5Å; I132-W142 VanDerWaalsContact CG2-CZ3 3.5Å; V133-W142 HydrophobicContact CG1-CH2 4.11Å; V133-W142 HydrophobicContact CG1-CZ3 3.7Å; L139-W142 HydrophobicContact CD2-CE3 4.28Å; L139-W142 HydrophobicContact CD2-CZ3 4Å; L139-W142 PolarHBondContact O-N 3.49Å; L139-W142 VanDerWaalsContact O-N 3.09Å; G140-W142 VanDerWaalsContact C-N 3.26Å; G140-W142 PolarHBondContact O-N 3.23Å; W142-A144 VanDerWaalsContact C-N 3.31Å; W142-A144 PolarHBondContact O-N 3.07Å; W142-W145 HydrophobicContact CB-CB 4.12Å; W142-W145 PolarHBondContact O-N 3.41Å; W142-R146 PolarHBondContact O-N 3.38Å; W142-R146 VanDerWaalsContact O-N 3.11Å
143	E	98.3	Very high	98.4	Very high	117 Å²	117	67.5 Å²	67.5	55%	0.547	35%	0.35	S	S	.	.	H	α-helix	trans	-60.1	-41.5	175.8	-177.4	169.4	173.8	0	0	112.6	W145 R146 H147	E143-W145 VanDerWaalsContact C-N 3.29Å; E143-W145 PolarHBondContact O-N 3.44Å; E143-R146 PolarHBondContact O-N 2.9Å; E143-R146 VanDerWaalsContact O-N 3.16Å; E143-H147 WeakPolarHBondContact CG-CE1 3.38Å; E143-H147 WeakPolarHBondContact CG-ND1 3.45Å; E143-H147 PolarHBondContact O-N 3.5Å; E143-H147 IonicContact OE1-CE1 2.76Å; E143-H147 PolarHBondContact OE1-CE1 3.2Å; E143-H147 IonicContact OE1-ND1 3.65Å
144	A	98.3	Very high	98.4	Very high	21 Å²	21	68.1 Å²	68.1	17%	0.174	35%	0.353	C	S	.	.	H	α-helix	trans	-53.6	-45.6	174.7	0	0	0	0	0	111.9	T70 W142 H147 H148	T70-A144 HydrophobicContact CG2-CB 3.72Å; W142-A144 VanDerWaalsContact C-N 3.31Å; W142-A144 PolarHBondContact O-N 3.07Å; A144-H147 PolarHBondContact O-N 2.99Å; A144-H148 VanDerWaalsContact O-CB 3.31Å; A144-H148 WeakPolarHBondContact O-CB 3.48Å; A144-H148 PolarHBondContact O-CD2 3.42Å; A144-H148 VanDerWaalsContact O-CD2 3.28Å; A144-H148 PolarHBondContact O-N 3.2Å
145	W	98.8	Very high	98.4	Very high	14 Å²	14	65.8 Å²	65.8	5%	0.053	35%	0.349	C	S	.	.	H	α-helix	trans	-68	-41.8	178.3	-174.5	90.2	0	0	0	112	Y58 L66 L139 W142 E143 H147 C149 Q150	Y58-W145 HydrophobicContact CD1-CZ2 4.26Å; Y58-W145 AromaticContact CE1-CH2 3.99Å; Y58-W145 HydrophobicContact CE1-CH2 3.99Å; Y58-W145 AromaticContact CE1-CZ2 3.95Å; Y58-W145 HydrophobicContact CE1-CZ2 3.95Å; L66-W145 HydrophobicContact CD1-CB 3.89Å; L139-W145 HydrophobicContact CB-CD2 3.65Å; L139-W145 HydrophobicContact CB-CE3 3.93Å; L139-W145 HydrophobicContact CB-CG 4.06Å; L139-W145 HydrophobicContact CB-CH2 4.38Å; L139-W145 HydrophobicContact CB-CZ2 4.14Å; L139-W145 HydrophobicContact CB-CZ3 4.28Å; L139-W145 HydrophobicContact CD1-CZ2 4.26Å; W142-W145 HydrophobicContact CB-CB 4.12Å; W142-W145 PolarHBondContact O-N 3.41Å; E143-W145 VanDerWaalsContact C-N 3.29Å; E143-W145 PolarHBondContact O-N 3.44Å; W145-H147 VanDerWaalsContact C-N 3.33Å; W145-H147 PolarHBondContact O-N 3.37Å; W145-C149 HydrophobicContact CB-CB 4.45Å; W145-C149 HydrophobicContact CD2-CB 4.24Å; W145-C149 HydrophobicContact CG-CB 3.79Å; W145-C149 CarbonylContact O-C 3.41Å; W145-C149 WeakPolarHBondContact O-CA 3.45Å; W145-C149 WeakPolarHBondContact O-CB 3.34Å; W145-C149 PolarHBondContact O-N 3.07Å; W145-Q150 HydrophobicContact CD2-CB 4.45Å; W145-Q150 HydrophobicContact CE3-CB 3.86Å; W145-Q150 HydrophobicContact CE3-CG 4.36Å; W145-Q150 HydrophobicContact CH2-CB 3.84Å; W145-Q150 HydrophobicContact CH2-CG 3.73Å; W145-Q150 HydrophobicContact CZ2-CB 4.42Å; W145-Q150 HydrophobicContact CZ3-CB 3.54Å; W145-Q150 HydrophobicContact CZ3-CG 3.55Å; W145-Q150 PolarHBondContact O-N 2.88Å
146	R	98.6	Very high	98.4	Very high	91 Å²	91	68.3 Å²	68.3	34%	0.343	36%	0.364	S	S	.	.	H	α-helix	trans	-58.4	-42.8	176.4	-66.5	-165.7	-53.8	-85.6	-1.1	112.7	G140 Y141 W142 E143	G140-R146 VanDerWaalsContact O-CD 3.31Å; G140-R146 WeakPolarHBondContact O-CD 3.45Å; G140-R146 PolarHBondContact O-NH1 2.9Å; Y141-R146 PolarHBondContact O-NH1 3.33Å; W142-R146 PolarHBondContact O-N 3.38Å; W142-R146 VanDerWaalsContact O-N 3.11Å; E143-R146 PolarHBondContact O-N 2.9Å; E143-R146 VanDerWaalsContact O-N 3.16Å
147	H	98.6	Very high	98.4	Very high	102 Å²	102	64 Å²	64	47%	0.472	33%	0.331	S	S	.	.	H	α-helix	trans	-82.4	-31.7	-175	-66.9	157.1	0	0	0	113.5	E143 A144 W145 R152	E143-H147 WeakPolarHBondContact CG-CE1 3.38Å; E143-H147 WeakPolarHBondContact CG-ND1 3.45Å; E143-H147 PolarHBondContact O-N 3.5Å; E143-H147 IonicContact OE1-CE1 2.76Å; E143-H147 PolarHBondContact OE1-CE1 3.2Å; E143-H147 IonicContact OE1-ND1 3.65Å; A144-H147 PolarHBondContact O-N 2.99Å; W145-H147 VanDerWaalsContact C-N 3.33Å; W145-H147 PolarHBondContact O-N 3.37Å; H147-R152 PolarHBondContact O-NH2 3.45Å; H147-R152 VanDerWaalsContact O-NH2 3.13Å
148	H	98.6	Very high	98.4	Very high	78 Å²	78	60.8 Å²	60.8	36%	0.361	32%	0.316	S	S	.	.	H	α-helix	trans	-116.4	-14.6	-168.3	-59.5	-75.6	0	0	0	115.4	Y69 A144 R152	Y69-H148 HydrophobicContact CD1-CB 3.57Å; Y69-H148 AromaticContact CD1-CD2 3.7Å; Y69-H148 AromaticContact CD1-CG 3.39Å; Y69-H148 AromaticContact CD1-ND1 3.76Å; Y69-H148 HydrophobicContact CD2-CB 3.39Å; Y69-H148 HydrophobicContact CE1-CB 3.66Å; Y69-H148 AromaticContact CE1-CG 3.54Å; Y69-H148 AromaticContact CE1-ND1 3.49Å; Y69-H148 WeakPolarHBondContact CE1-ND1 3.4Å; Y69-H148 HydrophobicContact CE2-CB 3.47Å; Y69-H148 VanDerWaalsContact CE2-CB 3.47Å; Y69-H148 HydrophobicContact CG-CB 3.43Å; Y69-H148 VanDerWaalsContact CG-CB 3.43Å; Y69-H148 AromaticContact CG-CG 3.74Å; Y69-H148 AromaticContact CZ-CG 3.99Å; A144-H148 VanDerWaalsContact O-CB 3.31Å; A144-H148 WeakPolarHBondContact O-CB 3.48Å; A144-H148 PolarHBondContact O-CD2 3.42Å; A144-H148 VanDerWaalsContact O-CD2 3.28Å; A144-H148 PolarHBondContact O-N 3.2Å; H148-R152 WeakPolarHBondContact O-CD 3.42Å; H148-R152 PolarHBondContact O-NE 3.5Å
149	C	98.8	Very high	98.4	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.007	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-42.8	-175.9	-52.4	0	0	0	0	112.7	C65 W145 G151 R152 L154	C65-C149 HydrophobicContact CB-CB 3.92Å; C65-C149 WeakPolarHBondContact CB-SG 3.25Å; C65-C149 VanDerWaalsContact SG-CA 3.58Å; C65-C149 WeakPolarHBondContact SG-CB 3.47Å; C65-C149 CovalentContact SG-SG 2.03Å; C65-C149 PolarHBondContact SG-SG 3.4Å; W145-C149 HydrophobicContact CB-CB 4.45Å; W145-C149 HydrophobicContact CD2-CB 4.24Å; W145-C149 HydrophobicContact CG-CB 3.79Å; W145-C149 CarbonylContact O-C 3.41Å; W145-C149 WeakPolarHBondContact O-CA 3.45Å; W145-C149 WeakPolarHBondContact O-CB 3.34Å; W145-C149 PolarHBondContact O-N 3.07Å; C149-G151 PolarHBondContact O-N 3.42Å; C149-R152 WeakPolarHBondContact O-CB 3.33Å; C149-R152 PolarHBondContact O-N 2.91Å; C149-L154 HydrophobicContact CB-CD1 4.13Å; C149-L154 HydrophobicContact CB-CD2 4.34Å
150	Q	98.4	Very high	98.4	Very high	104 Å²	104	68.5 Å²	68.5	49%	0.486	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	130.1	-174	-171.7	173.4	18.4	0	0	112.4	W145 R152	W145-Q150 HydrophobicContact CD2-CB 4.45Å; W145-Q150 HydrophobicContact CE3-CB 3.86Å; W145-Q150 HydrophobicContact CE3-CG 4.36Å; W145-Q150 HydrophobicContact CH2-CB 3.84Å; W145-Q150 HydrophobicContact CH2-CG 3.73Å; W145-Q150 HydrophobicContact CZ2-CB 4.42Å; W145-Q150 HydrophobicContact CZ3-CB 3.54Å; W145-Q150 HydrophobicContact CZ3-CG 3.55Å; W145-Q150 PolarHBondContact O-N 2.88Å; Q150-R152 VanDerWaalsContact C-N 3.27Å; Q150-R152 PolarHBondContact O-N 3.42Å
151	G	97.9	Very high	98.3	Very high	87 Å²	87	69.2 Å²	69.2	90%	0.897	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	17	175.2	0	0	0	0	0	114.6	C149	C149-G151 PolarHBondContact O-N 3.42Å
152	R	98.1	Very high	97.9	Very high	156 Å²	156	73.5 Å²	73.5	59%	0.589	40%	0.401	S	S	*	.	S	Bend	trans	-109.5	159.4	176.6	-60.5	175.4	-174.1	-94.6	3.2	110.4	H147 H148 C149 Q150 L154	H147-R152 PolarHBondContact O-NH2 3.45Å; H147-R152 VanDerWaalsContact O-NH2 3.13Å; H148-R152 WeakPolarHBondContact O-CD 3.42Å; H148-R152 PolarHBondContact O-NE 3.5Å; C149-R152 WeakPolarHBondContact O-CB 3.33Å; C149-R152 PolarHBondContact O-N 2.91Å; Q150-R152 VanDerWaalsContact C-N 3.27Å; Q150-R152 PolarHBondContact O-N 3.42Å; R152-L154 HydrophobicContact CB-CD2 4.06Å; R152-L154 PolarHBondContact O-N 2.89Å
153	D	98.4	Very high	97.1	Very high	133 Å²	133	78.6 Å²	78.6	71%	0.711	42%	0.424	S	S	*	.			trans	-71.9	123.4	162	-171.7	-9.2	0	0	0	108.3	S155	D153-S155 WeakPolarHBondContact OD1-CB 3.49Å; D153-S155 PolarHBondContact OD1-N 2.9Å; D153-S155 PolarHBondContact OD1-OG 3.35Å; D153-S155 PolarHBondContact OD2-OG 2.94Å
154	L	98.6	Very high	97.1	Very high	13 Å²	13	76.7 Å²	76.7	7%	0.068	42%	0.418	C	S	.	.			trans	-111.6	5.7	-176.8	-60.2	-175.5	0	0	0	112.3	A61 D62 C65 C149 R152 D156 W157	A61-L154 HydrophobicContact CB-CB 3.74Å; A61-L154 VanDerWaalsContact CB-O 3.26Å; A61-L154 WeakPolarHBondContact CB-O 3.41Å; D62-L154 WeakPolarHBondContact OD1-CD1 3.33Å; C65-L154 HydrophobicContact CB-CD1 4.22Å; C65-L154 HydrophobicContact CB-CD2 4.27Å; C149-L154 HydrophobicContact CB-CD1 4.13Å; C149-L154 HydrophobicContact CB-CD2 4.34Å; R152-L154 HydrophobicContact CB-CD2 4.06Å; R152-L154 PolarHBondContact O-N 2.89Å; L154-D156 PolarHBondContact O-N 3.43Å; L154-D156 VanDerWaalsContact O-N 3.15Å; L154-W157 WeakPolarHBondContact O-CB 3.29Å; L154-W157 PolarHBondContact O-N 3.26Å
155	S	97.9	Very high	97	Very high	57 Å²	57	79.6 Å²	79.6	40%	0.399	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-51.7	-39.7	-176.9	50.5	0	0	0	0	113.3	D153 W157 V158 D159	D153-S155 WeakPolarHBondContact OD1-CB 3.49Å; D153-S155 PolarHBondContact OD1-N 2.9Å; D153-S155 PolarHBondContact OD1-OG 3.35Å; D153-S155 PolarHBondContact OD2-OG 2.94Å; S155-W157 PolarHBondContact O-N 2.9Å; S155-V158 WeakPolarHBondContact O-CG2 3.32Å; S155-V158 PolarHBondContact O-N 2.76Å; S155-D159 PolarHBondContact O-N 2.84Å
156	D	97.8	Very high	96.9	Very high	119 Å²	119	83.2 Å²	83.2	64%	0.636	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-54.8	-25.4	176	-68	-9.8	0	0	0	114.2	R40 L154 V158	R40-D156 PolarHBondContact NH1-O 2.96Å; L154-D156 PolarHBondContact O-N 3.43Å; L154-D156 VanDerWaalsContact O-N 3.15Å; D156-V158 PolarHBondContact O-N 3.04Å
157	W	98.6	Very high	96.8	Very high	41 Å²	41	82.8 Å²	82.8	16%	0.155	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-68.7	-23.8	179.4	-72.8	102.9	0	0	0	113.1	R40 A61 V64 C65 Y68 Y69 F73 L154 S155	R40-W157 VanDerWaalsContact CD-O 3.23Å; R40-W157 WeakPolarHBondContact CD-O 3.41Å; R40-W157 HydrophobicContact CG-CE3 4.4Å; R40-W157 WeakPolarHBondContact CG-O 3.47Å; R40-W157 PolarHBondContact NH1-O 3.45Å; A61-W157 HydrophobicContact CB-CB 4.04Å; V64-W157 HydrophobicContact CB-CB 4.23Å; V64-W157 HydrophobicContact CG1-CB 4.17Å; V64-W157 HydrophobicContact CG1-CD2 4.44Å; V64-W157 HydrophobicContact CG1-CE3 3.8Å; C65-W157 HydrophobicContact CB-CD2 4.05Å; C65-W157 HydrophobicContact CB-CG 4.02Å; C65-W157 HydrophobicContact CB-CZ2 4.43Å; C65-W157 PolarHBondContact SG-NE1 3.41Å; C65-W157 VanDerWaalsContact SG-NE1 3.44Å; Y68-W157 AromaticContact CD1-CH2 3.38Å; Y68-W157 HydrophobicContact CD1-CH2 3.38Å; Y68-W157 HydrophobicContact CD1-CZ2 4.18Å; Y68-W157 HydrophobicContact CD1-CZ3 4.18Å; Y68-W157 AromaticContact CD2-CH2 3.94Å; Y68-W157 HydrophobicContact CD2-CH2 3.94Å; Y68-W157 AromaticContact CD2-CZ3 3.94Å; Y68-W157 HydrophobicContact CD2-CZ3 3.94Å; Y68-W157 HydrophobicContact CE1-CH2 4.01Å; Y68-W157 HydrophobicContact CE2-CH2 4.5Å; Y68-W157 AromaticContact CG-CH2 3.31Å; Y68-W157 HydrophobicContact CG-CH2 3.31Å; Y68-W157 HydrophobicContact CG-CZ2 4.39Å; Y68-W157 AromaticContact CG-CZ3 3.63Å; Y68-W157 HydrophobicContact CG-CZ3 3.63Å; Y69-W157 HydrophobicContact CD2-CZ2 4.35Å; Y69-W157 HydrophobicContact CE2-CH2 4.34Å; Y69-W157 AromaticContact CE2-CZ2 3.7Å; Y69-W157 HydrophobicContact CE2-CZ2 3.7Å; F73-W157 HydrophobicContact CZ-CE3 4.31Å; F73-W157 AromaticContact CZ-CZ3 3.87Å; F73-W157 HydrophobicContact CZ-CZ3 3.87Å; L154-W157 WeakPolarHBondContact O-CB 3.29Å; L154-W157 PolarHBondContact O-N 3.26Å; S155-W157 PolarHBondContact O-N 2.9Å
158	V	98.4	Very high	96.7	Very high	45 Å²	45	81.6 Å²	81.6	27%	0.273	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-4.2	179.7	-63.5	0	0	0	0	112.9	A44 L60 A61 V64 S155 D156 G160 C161	A44-V158 HydrophobicContact CB-CG1 4.34Å; L60-V158 HydrophobicContact CB-CG1 4.22Å; L60-V158 HydrophobicContact CD2-CG1 4.14Å; L60-V158 HydrophobicContact CG-CG1 4.11Å; A61-V158 HydrophobicContact CB-CG1 4.08Å; A61-V158 HydrophobicContact CB-CG2 4.17Å; V64-V158 HydrophobicContact CG2-CG1 4.42Å; S155-V158 WeakPolarHBondContact O-CG2 3.32Å; S155-V158 PolarHBondContact O-N 2.76Å; D156-V158 PolarHBondContact O-N 3.04Å; V158-G160 PolarHBondContact O-N 3.16Å; V158-C161 WeakPolarHBondContact O-CB 3.32Å; V158-C161 PolarHBondContact O-N 2.99Å; V158-C161 PolarHBondContact O-SG 3.2Å
159	D	98.1	Very high	96.6	Very high	109 Å²	109	81.8 Å²	81.8	58%	0.583	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	137.9	177	-173	41.6	0	0	0	111.8	R40 S155 C161	R40-D159 VanDerWaalsContact CZ-O 3.31Å; R40-D159 PolarHBondContact NH1-O 2.66Å; R40-D159 PolarHBondContact NH2-O 3.34Å; S155-D159 PolarHBondContact O-N 2.84Å; D159-C161 PolarHBondContact O-N 2.97Å
160	G	97.7	Very high	96.4	Very high	59 Å²	59	87.6 Å²	87.6	61%	0.608	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	16.2	-178.3	0	0	0	0	0	115.9	V158	V158-G160 PolarHBondContact O-N 3.16Å
161	C	97.8	Very high	96.3	Very high	22 Å²	22	86.3 Å²	86.3	15%	0.149	50%	0.496	C	S	.	.			trans	-89.7	115.8	172.4	-59.8	0	0	0	0	111	R40 C41 V158 D159 F163	R40-C161 PolarHBondContact NH1-SG 3.18Å; C41-C161 WeakPolarHBondContact CA-SG 3.48Å; C41-C161 HydrophobicContact CB-CB 3.61Å; C41-C161 WeakPolarHBondContact CB-SG 3.24Å; C41-C161 WeakPolarHBondContact SG-CA 3.39Å; C41-C161 WeakPolarHBondContact SG-CB 3.45Å; C41-C161 CovalentContact SG-SG 2.05Å; C41-C161 PolarHBondContact SG-SG 3.42Å; V158-C161 WeakPolarHBondContact O-CB 3.32Å; V158-C161 PolarHBondContact O-N 2.99Å; V158-C161 PolarHBondContact O-SG 3.2Å; D159-C161 PolarHBondContact O-N 2.97Å; C161-F163 HydrophobicContact CB-CD1 4.03Å; C161-F163 HydrophobicContact CB-CE1 3.63Å
162	D	89.7	Confident	96.1	Very high	160 Å²	160	86.3 Å²	86.3	86%	0.856	46%	0.463	S	S	*	.			trans	-93.4	113.1	177.1	-62	-42.3	0	0	0	110.4
163	F	82.5	Confident	95.9	Very high	121 Å²	121	79.9 Å²	79.9	53%	0.531	45%	0.452	S	S	.	.			trans	-160.5	0	168.4	54.6	-95	0	0	0	112.8	A44 K45 H48 L60 C161	A44-F163 HydrophobicContact CB-CE1 3.98Å; A44-F163 HydrophobicContact CB-CZ 4.3Å; K45-F163 HydrophobicContact CB-CB 4.11Å; K45-F163 HydrophobicContact CB-CD1 3.77Å; K45-F163 HydrophobicContact CB-CD2 4.42Å; K45-F163 HydrophobicContact CB-CE1 4.29Å; K45-F163 HydrophobicContact CB-CG 3.85Å; K45-F163 HydrophobicContact CD-CB 3.72Å; K45-F163 HydrophobicContact CD-CG 4.39Å; K45-F163 HydrophobicContact CG-CB 3.66Å; K45-F163 HydrophobicContact CG-CD1 4.26Å; K45-F163 HydrophobicContact CG-CD2 4.27Å; K45-F163 HydrophobicContact CG-CG 3.82Å; H48-F163 HydrophobicContact CB-CD2 4.23Å; H48-F163 HydrophobicContact CB-CE2 3.52Å; H48-F163 HydrophobicContact CB-CZ 4.16Å; H48-F163 AromaticContact CD2-CE2 3.82Å; H48-F163 AromaticContact CG-CD2 3.99Å; H48-F163 AromaticContact CG-CE2 3.48Å; H48-F163 VanDerWaalsContact CG-CE2 3.48Å; H48-F163 AromaticContact ND1-CE2 3.97Å; L60-F163 HydrophobicContact CD2-CE2 4.2Å; L60-F163 HydrophobicContact CD2-CZ 3.57Å; C161-F163 HydrophobicContact CB-CD1 4.03Å; C161-F163 HydrophobicContact CB-CE1 3.63Å

Retrieved 163 of 163 residues in 218.3 ms (Link to these results)

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