GBRB1_HUMAN Loading...

Gamma-aminobutyric acid receptor subunit beta-1

Beta subunit of the heteropentameric ligand-gated chloride channel gated by gamma-aminobutyric acid (GABA), a major inhibitory neurotransmitter in the brain^1,2,3. GABA-gated chloride channels, also named GABA(A) receptors (GABAAR), consist of five subunits arranged around a central pore and contain one or two GABA active binding sites located at the alpha and beta subunit interfaces, depending on subunit composition (By similarity). When activated by GABA, GABAARs selectively allow the flow of chloride anions across the cell membrane down their electrochemical gradient^4,5,6. Chloride influx into the postsynaptic neuron following GABAAR opening decreases the neuron ability to generate a new action potential, thereby reducing nerve transmission^7,8. Beta-containing GABAARs can simultaneously bind GABA and histamine where histamine binds at the interface of two neighboring beta subunits, which may be involved in the regulation of sleep and wakefulness (By similarity).

AlphaFold DB , UniProt , Accession P18505, Species HUMAN (Homo sapiens, Human), Gene GABRB1, Length 474 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.9	Very low	39.3	Very low	225 Å²	225	159.5 Å²	159.5	100%	1.108	82%	0.821	S	S	*	*				0	115.2	0	-115.4	176.6	169.1	0	0	107.4
2	W	37.7	Very low	40	Very low	240 Å²	240	160.5 Å²	160.5	91%	0.909	83%	0.827	S	S	*	*			trans	69	112.4	163.2	-58.7	86.9	0	0	0	120.2
3	T	35	Very low	40.4	Very low	115 Å²	115	160.2 Å²	160.2	71%	0.706	83%	0.827	S	S	*	*			trans	-70.2	152.9	173.6	39.9	0	0	0	0	115.1
4	V	43	Very low	41.2	Very low	117 Å²	117	154.7 Å²	154.7	71%	0.709	81%	0.809	S	S	*	*			trans	76.9	135	134.5	168.7	0	0	0	0	115.3
5	Q	39.5	Very low	42.1	Very low	176 Å²	176	155.5 Å²	155.5	82%	0.822	80%	0.804	S	S	*	*			cis	-161.3	146.4	45.4	-157.6	139.8	-38.5	0	0	114.1
6	N	38.9	Very low	42.8	Very low	152 Å²	152	150.6 Å²	150.6	81%	0.813	79%	0.785	S	S	*	*			trans	-31.6	153.8	159.6	-88.1	-28.2	0	0	0	116.7
7	R	39.5	Very low	43.4	Very low	213 Å²	213	146.5 Å²	146.5	80%	0.804	77%	0.768	S	S	*	*				176.3	145.1	84.3	-145.3	-178.7	134.4	166.2	-9.4	113.7
8	E	40.4	Very low	43.9	Very low	156 Å²	156	145.2 Å²	145.2	73%	0.729	76%	0.759	S	S	*	*			trans	110.3	126.2	147.5	-57.3	-155.4	150	0	0	121
9	S	38.5	Very low	44.5	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	75%	0.749	S	S	*	*			trans	-111.9	145.4	-166.5	102.7	0	0	0	0	109.5
10	L	40.2	Very low	45	Very low	185 Å²	185	140.4 Å²	140.4	97%	0.969	74%	0.737	S	S	*	*			trans	-164.3	125.1	154.8	-104.4	128	0	0	0	110
11	G	40.1	Very low	45.4	Very low	71 Å²	71	139.8 Å²	139.8	73%	0.732	73%	0.732	S	S	*	*			trans	136.3	25.4	148.1	0	0	0	0	0	122.1
12	L	47	Very low	46.1	Very low	172 Å²	172	132.7 Å²	132.7	90%	0.901	70%	0.701	S	S	*	*			trans	-132.3	23	-174.9	-98.6	154.3	0	0	0	118
13	L	46	Very low	46.7	Very low	156 Å²	156	125.1 Å²	125.1	82%	0.817	68%	0.684	S	S	*	*			trans	-114.6	9.6	-174.3	-81.2	164.3	0	0	0	117.3
14	S	51.5	Low	47.3	Very low	84 Å²	84	123.8 Å²	123.8	59%	0.587	68%	0.678	S	S	*	*	S	Bend	trans	-97.1	-5.6	-174.3	44	0	0	0	0	116.8
15	F	54.1	Low	47.7	Very low	167 Å²	167	121 Å²	121	73%	0.732	67%	0.668	S	S	*	*	H	α-helix	trans	-83.2	-33.5	-178	-87.7	-85.5	0	0	0	117.1	V17	F15-V17 PolarHBondContact O-N 2.74Å
16	P	53.4	Low	48.2	Very low	77 Å²	77	119.4 Å²	119.4	50%	0.5	66%	0.66	S	S	.	*	H	α-helix	trans	-79.1	-18.8	-176.6	29.4	-30.7	0	0	0	113.4	T20	P16-T20 PolarHBondContact O-N 3.37Å; P16-T20 PolarHBondContact O-OG1 3.25Å
17	V	53.3	Low	48.5	Very low	81 Å²	81	115.8 Å²	115.8	49%	0.491	65%	0.646	S	S	.	*	H	α-helix	trans	-76.9	-33	178.4	-179	0	0	0	0	111.7	F15 T20 M21	F15-V17 PolarHBondContact O-N 2.74Å; V17-T20 WeakPolarHBondContact CA-OG1 3.44Å; V17-T20 PolarHBondContact O-OG1 3.09Å; V17-M21 HydrophobicContact CG1-CE 4.41Å; V17-M21 PolarHBondContact O-N 3.48Å
18	M	52.2	Low	49.1	Very low	122 Å²	122	109.6 Å²	109.6	60%	0.601	63%	0.633	S	S	*	*	H	α-helix	trans	-72.1	-36.6	175.6	-73	-66.1	-76.1	0	0	111.9	M21 V22	M18-M21 PolarHBondContact O-N 3.37Å; M18-V22 WeakPolarHBondContact O-CB 3.18Å; M18-V22 WeakPolarHBondContact O-CG2 3.26Å; M18-V22 PolarHBondContact O-N 3.22Å
19	I	55.9	Low	49.6	Very low	111 Å²	111	107.2 Å²	107.2	57%	0.569	63%	0.625	S	S	*	*	H	α-helix	trans	-70.6	-36.8	178.3	-61.8	170.2	0	0	0	110.8	V22 C23	I19-V22 PolarHBondContact O-N 3.35Å; I19-C23 WeakPolarHBondContact O-CB 3.27Å; I19-C23 PolarHBondContact O-N 3.15Å; I19-C23 PolarHBondContact O-SG 3.28Å; I19-C23 VanDerWaalsContact O-SG 3.38Å
20	T	54.4	Low	50.4	Low	84 Å²	84	107.8 Å²	107.8	52%	0.515	62%	0.616	S	S	.	*	H	α-helix	trans	-72	-35.7	174.6	39.9	0	0	0	0	112.8	P16 V17 C23 C24	P16-T20 PolarHBondContact O-N 3.37Å; P16-T20 PolarHBondContact O-OG1 3.25Å; V17-T20 WeakPolarHBondContact CA-OG1 3.44Å; V17-T20 PolarHBondContact O-OG1 3.09Å; T20-C23 PolarHBondContact O-N 2.96Å; T20-C24 WeakPolarHBondContact O-CB 3.5Å; T20-C24 PolarHBondContact O-N 3.09Å; T20-C24 PolarHBondContact O-SG 3.18Å
21	M	52.3	Low	51.2	Low	127 Å²	127	101.5 Å²	101.5	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-65.9	-39.1	170.3	-81.3	-151.7	-149.8	0	0	112.7	V17 M18 C24 A25	V17-M21 HydrophobicContact CG1-CE 4.41Å; V17-M21 PolarHBondContact O-N 3.48Å; M18-M21 PolarHBondContact O-N 3.37Å; M21-C24 PolarHBondContact O-N 3.33Å; M21-A25 VanDerWaalsContact O-CB 3.28Å; M21-A25 WeakPolarHBondContact O-CB 3.39Å; M21-A25 PolarHBondContact O-N 3.49Å
22	V	55.9	Low	52.2	Low	77 Å²	77	102.4 Å²	102.4	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-69.3	-37.4	177.4	172.1	0	0	0	0	111.1	M18 I19 A25 H26	M18-V22 WeakPolarHBondContact O-CB 3.18Å; M18-V22 WeakPolarHBondContact O-CG2 3.26Å; M18-V22 PolarHBondContact O-N 3.22Å; I19-V22 PolarHBondContact O-N 3.35Å; V22-A25 PolarHBondContact O-N 3.42Å; V22-H26 PolarHBondContact O-N 3.45Å; V22-H26 VanDerWaalsContact O-N 3.09Å; V22-H26 PolarHBondContact O-ND1 3.08Å
23	C	49.8	Very low	53.8	Low	80 Å²	80	97.1 Å²	97.1	54%	0.541	55%	0.554	S	S	.	*	H	α-helix	trans	-70.6	-37.1	173.9	-74.7	0	0	0	0	112.8	I19 T20 H26 S27	I19-C23 WeakPolarHBondContact O-CB 3.27Å; I19-C23 PolarHBondContact O-N 3.15Å; I19-C23 PolarHBondContact O-SG 3.28Å; I19-C23 VanDerWaalsContact O-SG 3.38Å; T20-C23 PolarHBondContact O-N 2.96Å; C23-H26 PolarHBondContact O-N 2.92Å; C23-S27 PolarHBondContact O-N 3.22Å
24	C	48.4	Very low	55.7	Low	87 Å²	87	97 Å²	97	59%	0.588	55%	0.551	S	S	*	*	H	α-helix	trans	-67.9	-34.8	173.3	-74.4	0	0	0	0	112.3	T20 M21 H26 S27 T28	T20-C24 WeakPolarHBondContact O-CB 3.5Å; T20-C24 PolarHBondContact O-N 3.09Å; T20-C24 PolarHBondContact O-SG 3.18Å; M21-C24 PolarHBondContact O-N 3.33Å; C24-H26 VanDerWaalsContact C-N 3.31Å; C24-S27 PolarHBondContact O-N 3.03Å; C24-T28 PolarHBondContact O-N 3.06Å
25	A	51.2	Low	57.5	Low	60 Å²	60	96.3 Å²	96.3	50%	0.496	55%	0.547	S	S	.	.	H	α-helix	trans	-72	-23	174.5	0	0	0	0	0	113.3	M21 V22 T28	M21-A25 VanDerWaalsContact O-CB 3.28Å; M21-A25 WeakPolarHBondContact O-CB 3.39Å; M21-A25 PolarHBondContact O-N 3.49Å; V22-A25 PolarHBondContact O-N 3.42Å; A25-T28 PolarHBondContact O-OG1 2.9Å
26	H	48.3	Very low	59.2	Low	141 Å²	141	90.7 Å²	90.7	65%	0.653	52%	0.521	S	S	*	.	H	α-helix	trans	-82.5	-27.3	171.3	-79.6	82.6	0	0	0	112.5	V22 C23 C24 T28 N29	V22-H26 PolarHBondContact O-N 3.45Å; V22-H26 VanDerWaalsContact O-N 3.09Å; V22-H26 PolarHBondContact O-ND1 3.08Å; C23-H26 PolarHBondContact O-N 2.92Å; C24-H26 VanDerWaalsContact C-N 3.31Å; H26-T28 VanDerWaalsContact C-N 3.32Å; H26-T28 PolarHBondContact O-N 3.15Å; H26-N29 PolarHBondContact O-N 3.05Å
27	S	46.9	Very low	60.9	Low	76 Å²	76	88.8 Å²	88.8	53%	0.531	51%	0.508	S	S	.	.	H	α-helix	trans	-74.8	-18.9	177.8	-159.6	0	0	0	0	113.7	C23 C24 N29	C23-S27 PolarHBondContact O-N 3.22Å; C24-S27 PolarHBondContact O-N 3.03Å; S27-N29 VanDerWaalsContact C-N 3.27Å; S27-N29 PolarHBondContact O-N 3.48Å
28	T	50.4	Low	62.8	Low	84 Å²	84	91.3 Å²	91.3	52%	0.515	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.5	175.9	49.7	0	0	0	0	113.4	C24 A25 H26	C24-T28 PolarHBondContact O-N 3.06Å; A25-T28 PolarHBondContact O-OG1 2.9Å; H26-T28 VanDerWaalsContact C-N 3.32Å; H26-T28 PolarHBondContact O-N 3.15Å
29	N	52.8	Low	64.7	Low	106 Å²	106	92 Å²	92	57%	0.567	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	18.6	-179.5	-101.4	-4.4	0	0	0	113.3	H26 S27 P31	H26-N29 PolarHBondContact O-N 3.05Å; S27-N29 VanDerWaalsContact C-N 3.27Å; S27-N29 PolarHBondContact O-N 3.48Å; N29-P31 VanDerWaalsContact O-CD 3.31Å; N29-P31 WeakPolarHBondContact O-CD 3.31Å
30	E	55	Low	66.4	Low	115 Å²	115	86.9 Å²	86.9	54%	0.537	49%	0.488	S	S	.	.			trans	-64.5	120.1	171.3	-110.8	-173.8	173.9	0	0	109.7	S32 N33	E30-S32 PolarHBondContact O-N 3.49Å; E30-N33 WeakPolarHBondContact O-CB 3.38Å; E30-N33 PolarHBondContact O-N 2.91Å
31	P	56.5	Low	68.2	Low	53 Å²	53	84.1 Å²	84.1	34%	0.344	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-5.8	-174	23	-32.1	0	0	0	114.3	N29 P103	N29-P31 VanDerWaalsContact O-CD 3.31Å; N29-P31 WeakPolarHBondContact O-CD 3.31Å; P31-P103 VanDerWaalsContact CB-CD 3.43Å; P31-P103 HydrophobicContact CB-CG 4.01Å; P31-P103 HydrophobicContact CG-CG 4.31Å
32	S	60.2	Low	70.2	Confident	90 Å²	90	81.9 Å²	81.9	63%	0.629	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.2	175.6	43.2	0	0	0	0	114.3	E30 M34	E30-S32 PolarHBondContact O-N 3.49Å; S32-M34 PolarHBondContact O-N 2.91Å
33	N	80.8	Confident	71.9	Confident	61 Å²	61	84.8 Å²	84.8	33%	0.326	46%	0.464	S	S	.	.			trans	-72.9	118.1	-177.8	-164.5	-7.1	0	0	0	111.6	E30 S35 Y36 V37	E30-N33 WeakPolarHBondContact O-CB 3.38Å; E30-N33 PolarHBondContact O-N 2.91Å; N33-S35 VanDerWaalsContact C-N 3.27Å; N33-S35 PolarHBondContact ND2-OG 2.93Å; N33-S35 PolarHBondContact O-N 3.33Å; N33-S35 PolarHBondContact OD1-OG 2.97Å; N33-Y36 WeakPolarHBondContact O-CB 3.3Å; N33-Y36 PolarHBondContact O-N 2.96Å; N33-Y36 VanDerWaalsContact O-N 3.12Å; N33-V37 PolarHBondContact O-N 2.84Å
34	M	85.7	Confident	74	Confident	153 Å²	153	81.8 Å²	81.8	75%	0.754	44%	0.443	S	S	*	.	H	α-helix	trans	-56.7	-38.2	-176.9	-179.2	63.8	72.9	0	0	112.8	S32 Y36 V37 K38	S32-M34 PolarHBondContact O-N 2.91Å; M34-Y36 VanDerWaalsContact C-N 3.34Å; M34-V37 PolarHBondContact O-N 3.05Å; M34-K38 PolarHBondContact O-N 3.44Å; M34-K38 VanDerWaalsContact O-N 3.09Å
35	S	89.2	Confident	76.1	Confident	71 Å²	71	79.8 Å²	79.8	50%	0.497	43%	0.426	S	S	.	.	H	α-helix	trans	-65.3	-39.4	179.5	56.6	0	0	0	0	111.9	N33 K38 E39	N33-S35 VanDerWaalsContact C-N 3.27Å; N33-S35 PolarHBondContact ND2-OG 2.93Å; N33-S35 PolarHBondContact O-N 3.33Å; N33-S35 PolarHBondContact OD1-OG 2.97Å; S35-K38 PolarHBondContact O-N 3.19Å; S35-E39 WeakPolarHBondContact O-CB 3.44Å; S35-E39 PolarHBondContact O-N 3.25Å
36	Y	89.9	Confident	78.1	Confident	48 Å²	48	85.7 Å²	85.7	19%	0.188	44%	0.44	C	S	.	.	H	α-helix	trans	-66.3	-41.7	179.5	-171.5	-103.2	0	0	0	111.9	N33 M34 T40 S100 I102	N33-Y36 WeakPolarHBondContact O-CB 3.3Å; N33-Y36 PolarHBondContact O-N 2.96Å; N33-Y36 VanDerWaalsContact O-N 3.12Å; M34-Y36 VanDerWaalsContact C-N 3.34Å; Y36-T40 VanDerWaalsContact O-CB 3.31Å; Y36-T40 WeakPolarHBondContact O-CB 3.38Å; Y36-T40 PolarHBondContact O-N 3.48Å; Y36-T40 PolarHBondContact O-OG1 3.44Å; Y36-S100 PolarHBondContact OH-O 2.94Å; Y36-I102 HydrophobicContact CD1-CD1 4.15Å; Y36-I102 HydrophobicContact CD1-CG1 3.89Å; Y36-I102 HydrophobicContact CE1-CD1 4.22Å; Y36-I102 HydrophobicContact CE1-CG1 3.67Å
37	V	90.4	Very high	80.2	Confident	38 Å²	38	82.9 Å²	82.9	23%	0.23	45%	0.449	C	S	.	.	H	α-helix	trans	-63.1	-45.8	175.4	-179	0	0	0	0	110.6	N33 M34 T40 V41 I102 L106	N33-V37 PolarHBondContact O-N 2.84Å; M34-V37 PolarHBondContact O-N 3.05Å; V37-T40 PolarHBondContact O-N 3.34Å; V37-V41 WeakPolarHBondContact O-CG2 3.28Å; V37-V41 PolarHBondContact O-N 3.28Å; V37-I102 HydrophobicContact CG2-CD1 4.15Å; V37-L106 HydrophobicContact CG1-CD2 3.99Å
38	K	92.2	Very high	82.5	Confident	133 Å²	133	80.6 Å²	80.6	58%	0.578	43%	0.429	S	S	*	.	H	α-helix	trans	-60.5	-50	177.7	-177.1	-174.4	176	-63.3	0	111.8	M34 S35 T40 V41 D42	M34-K38 PolarHBondContact O-N 3.44Å; M34-K38 VanDerWaalsContact O-N 3.09Å; S35-K38 PolarHBondContact O-N 3.19Å; K38-T40 VanDerWaalsContact C-N 3.27Å; K38-T40 PolarHBondContact O-N 3.06Å; K38-V41 PolarHBondContact O-N 3.09Å; K38-D42 IonicContact NZ-OD2 2.72Å; K38-D42 PolarHBondContact NZ-OD2 2.64Å; K38-D42 WeakPolarHBondContact O-CB 3.26Å; K38-D42 PolarHBondContact O-N 2.91Å
39	E	92.4	Very high	84.6	Confident	137 Å²	137	79 Å²	79	64%	0.64	42%	0.417	S	S	*	.	H	α-helix	trans	-61.4	-37.4	178.9	-174.2	177.1	178.7	0	0	111.8	S35 R43	S35-E39 WeakPolarHBondContact O-CB 3.44Å; S35-E39 PolarHBondContact O-N 3.25Å; E39-R43 VanDerWaalsContact O-CB 3.27Å; E39-R43 WeakPolarHBondContact O-CB 3.19Å; E39-R43 PolarHBondContact O-N 3.46Å
40	T	92.1	Very high	86.6	Confident	3 Å²	3	78 Å²	78	2%	0.018	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-48.2	175.6	-60.8	0	0	0	0	111.4	Y36 V37 K38 R43 L44 Y99 I102	Y36-T40 VanDerWaalsContact O-CB 3.31Å; Y36-T40 WeakPolarHBondContact O-CB 3.38Å; Y36-T40 PolarHBondContact O-N 3.48Å; Y36-T40 PolarHBondContact O-OG1 3.44Å; V37-T40 PolarHBondContact O-N 3.34Å; K38-T40 VanDerWaalsContact C-N 3.27Å; K38-T40 PolarHBondContact O-N 3.06Å; T40-R43 WeakPolarHBondContact O-CB 3.39Å; T40-R43 PolarHBondContact O-N 3.02Å; T40-L44 WeakPolarHBondContact O-CG 3.36Å; T40-L44 PolarHBondContact O-N 2.9Å; T40-Y99 HydrophobicContact CG2-CG 4.39Å; T40-I102 HydrophobicContact CG2-CD1 4.09Å
41	V	92	Very high	88.4	Confident	26 Å²	26	81.4 Å²	81.4	16%	0.158	42%	0.419	C	S	.	.	H	α-helix	trans	-64.7	-43.6	178.4	175.3	0	0	0	0	111.3	V37 K38 R43 L44 L45 L106 L108	V37-V41 WeakPolarHBondContact O-CG2 3.28Å; V37-V41 PolarHBondContact O-N 3.28Å; K38-V41 PolarHBondContact O-N 3.09Å; V41-R43 VanDerWaalsContact C-N 3.26Å; V41-R43 PolarHBondContact O-N 3.13Å; V41-L44 PolarHBondContact O-N 3.21Å; V41-L44 VanDerWaalsContact O-N 3.17Å; V41-L45 HydrophobicContact CG1-CD1 4.1Å; V41-L45 PolarHBondContact O-N 3.2Å; V41-L45 VanDerWaalsContact O-N 3.12Å; V41-L106 HydrophobicContact CG2-CD1 4.4Å; V41-L108 HydrophobicContact CG2-CD2 4.09Å
42	D	93.4	Very high	90.3	Very high	81 Å²	81	82 Å²	82	43%	0.433	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-37.4	176.4	-71.9	-22.1	0	0	0	111.2	K38 K46	K38-D42 IonicContact NZ-OD2 2.72Å; K38-D42 PolarHBondContact NZ-OD2 2.64Å; K38-D42 WeakPolarHBondContact O-CB 3.26Å; K38-D42 PolarHBondContact O-N 2.91Å; D42-K46 WeakPolarHBondContact O-CB 3.33Å; D42-K46 PolarHBondContact O-N 3.5Å; D42-K46 VanDerWaalsContact O-N 3.08Å
43	R	92.8	Very high	91.9	Very high	138 Å²	138	78.1 Å²	78.1	52%	0.521	39%	0.39	S	S	.	.	H	α-helix	trans	-67.3	-39.3	175.2	-177.2	178	65.9	-176.2	-2.1	112.6	E39 T40 V41 L45 K46	E39-R43 VanDerWaalsContact O-CB 3.27Å; E39-R43 WeakPolarHBondContact O-CB 3.19Å; E39-R43 PolarHBondContact O-N 3.46Å; T40-R43 WeakPolarHBondContact O-CB 3.39Å; T40-R43 PolarHBondContact O-N 3.02Å; V41-R43 VanDerWaalsContact C-N 3.26Å; V41-R43 PolarHBondContact O-N 3.13Å; R43-L45 VanDerWaalsContact C-N 3.34Å; R43-K46 PolarHBondContact O-N 3Å
44	L	92.8	Very high	92.6	Very high	17 Å²	17	75.3 Å²	75.3	9%	0.089	38%	0.376	C	S	.	.	H	α-helix	trans	-66	-37.2	178	-68.4	177.8	0	0	0	112.2	T40 V41 L97 S98 Y99 L143	T40-L44 WeakPolarHBondContact O-CG 3.36Å; T40-L44 PolarHBondContact O-N 2.9Å; V41-L44 PolarHBondContact O-N 3.21Å; V41-L44 VanDerWaalsContact O-N 3.17Å; L44-L97 HydrophobicContact CB-CD2 4.48Å; L44-S98 VanDerWaalsContact CD2-O 3.29Å; L44-S98 WeakPolarHBondContact CD2-O 3.28Å; L44-Y99 HydrophobicContact CD1-CD1 4.21Å; L44-L143 HydrophobicContact CD1-CD1 4.34Å
45	L	92.7	Very high	93	Very high	45 Å²	45	71 Å²	71	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-82.7	-18.3	-179.7	-65	173.3	0	0	0	113	V41 R43 G47 Y48 V112 L116	V41-L45 HydrophobicContact CG1-CD1 4.1Å; V41-L45 PolarHBondContact O-N 3.2Å; V41-L45 VanDerWaalsContact O-N 3.12Å; R43-L45 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.27Å; L45-Y48 PolarHBondContact O-N 3.25Å; L45-V112 HydrophobicContact CD1-CG2 4.34Å; L45-V112 HydrophobicContact CD2-CG2 4.47Å; L45-L116 HydrophobicContact CD2-CD2 3.92Å
46	K	93.5	Very high	93.3	Very high	184 Å²	184	73.7 Å²	73.7	80%	0.8	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	105.9	179.7	-172.7	177.6	-178.5	-180	0	111.1	D42 R43	D42-K46 WeakPolarHBondContact O-CB 3.33Å; D42-K46 PolarHBondContact O-N 3.5Å; D42-K46 VanDerWaalsContact O-N 3.08Å; R43-K46 PolarHBondContact O-N 3Å
47	G	92.3	Very high	93.4	Very high	81 Å²	81	75.5 Å²	75.5	84%	0.835	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	11.3	-179.9	0	0	0	0	0	114.1	L45 D49	L45-G47 PolarHBondContact O-N 3.27Å; G47-D49 PolarHBondContact O-N 2.91Å
48	Y	95.3	Very high	93.5	Very high	28 Å²	28	75.7 Å²	75.7	11%	0.11	40%	0.401	C	S	.	.			trans	-72	118.3	173.3	-175.1	-88.9	0	0	0	110.3	L45 I50 D94 R96 L97 L116 W117	L45-Y48 PolarHBondContact O-N 3.25Å; Y48-I50 HydrophobicContact CD1-CG2 4.05Å; Y48-I50 HydrophobicContact CE1-CG2 4.04Å; Y48-D94 PolarHBondContact OH-OD2 2.89Å; Y48-R96 HydrophobicContact CD2-CB 4.14Å; Y48-R96 HydrophobicContact CE2-CB 4.08Å; Y48-R96 PolarHBondContact OH-NH2 3.28Å; Y48-L97 HydrophobicContact CD2-CD2 3.97Å; Y48-L97 HydrophobicContact CE2-CD1 4.34Å; Y48-L97 HydrophobicContact CE2-CD2 3.85Å; Y48-L97 HydrophobicContact CE2-CG 4Å; Y48-L116 HydrophobicContact CD1-CD2 4.39Å; Y48-L116 HydrophobicContact CE1-CD2 4.06Å; Y48-W117 VanDerWaalsContact OH-CB 3.28Å; Y48-W117 WeakPolarHBondContact OH-CB 3.29Å; Y48-W117 PolarHBondContact OH-N 3.08Å; Y48-W117 VanDerWaalsContact OH-N 3.1Å
49	D	94.7	Very high	93.7	Very high	50 Å²	50	73.2 Å²	73.2	27%	0.267	40%	0.399	S	S	.	.			trans	-93.2	113	175	-165.7	-16.6	0	0	0	110.8	G47 R51 L52 R96	G47-D49 PolarHBondContact O-N 2.91Å; D49-R51 PolarHBondContact O-N 3.5Å; D49-R51 WeakPolarHBondContact OD1-CB 3.4Å; D49-R51 IonicContact OD1-CZ 3.68Å; D49-R51 PolarHBondContact OD1-N 3.34Å; D49-R51 IonicContact OD1-NE 2.9Å; D49-R51 PolarHBondContact OD1-NE 2.87Å; D49-R51 IonicContact OD1-NH2 3.57Å; D49-R51 IonicContact OD2-CZ 3.49Å; D49-R51 IonicContact OD2-NE 3.4Å; D49-R51 PolarHBondContact OD2-NE 3.04Å; D49-R51 IonicContact OD2-NH2 2.75Å; D49-R51 PolarHBondContact OD2-NH2 3.22Å; D49-L52 HydrophobicContact CB-CD1 4.31Å; D49-L52 HydrophobicContact CB-CG 4.5Å; D49-R96 PolarHBondContact O-NH1 3.46Å
50	I	94.4	Very high	93.9	Very high	85 Å²	85	68.6 Å²	68.6	44%	0.436	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-20	180	64.6	176.5	0	0	0	113.6	Y48 L52 Q115	Y48-I50 HydrophobicContact CD1-CG2 4.05Å; Y48-I50 HydrophobicContact CE1-CG2 4.04Å; I50-L52 VanDerWaalsContact C-N 3.33Å; I50-Q115 VanDerWaalsContact CG2-C 3.49Å; I50-Q115 WeakPolarHBondContact CG2-O 3.27Å
51	R	93.8	Very high	94.1	Very high	188 Å²	188	68.9 Å²	68.9	71%	0.709	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.7	-173.7	-60.7	169.5	-65.9	176.6	5.4	113	D49	D49-R51 PolarHBondContact O-N 3.5Å; D49-R51 WeakPolarHBondContact OD1-CB 3.4Å; D49-R51 IonicContact OD1-CZ 3.68Å; D49-R51 PolarHBondContact OD1-N 3.34Å; D49-R51 IonicContact OD1-NE 2.9Å; D49-R51 PolarHBondContact OD1-NE 2.87Å; D49-R51 IonicContact OD1-NH2 3.57Å; D49-R51 IonicContact OD2-CZ 3.49Å; D49-R51 IonicContact OD2-NE 3.4Å; D49-R51 PolarHBondContact OD2-NE 3.04Å; D49-R51 IonicContact OD2-NH2 2.75Å; D49-R51 PolarHBondContact OD2-NH2 3.22Å
52	L	95.1	Very high	94.3	Very high	65 Å²	65	71.8 Å²	71.8	34%	0.34	40%	0.397	S	S	.	.	S	Bend	trans	-104.9	128.2	-175.8	-61.4	176.4	0	0	0	110.4	D49 I50 F56 R96	D49-L52 HydrophobicContact CB-CD1 4.31Å; D49-L52 HydrophobicContact CB-CG 4.5Å; I50-L52 VanDerWaalsContact C-N 3.33Å; L52-F56 HydrophobicContact CD2-CD1 4.41Å; L52-F56 HydrophobicContact CD2-CD2 3.96Å; L52-F56 HydrophobicContact CD2-CE2 4.13Å; L52-F56 HydrophobicContact CD2-CG 4.13Å; L52-F56 HydrophobicContact CD2-CZ 4.42Å; L52-R96 PolarHBondContact O-NH1 3.34Å; L52-R96 PolarHBondContact O-NH2 2.91Å; L52-R96 VanDerWaalsContact O-NH2 3.08Å
53	R	95.4	Very high	94.5	Very high	9 Å²	9	67.9 Å²	67.9	3%	0.034	38%	0.376	C	S	.	.			trans	-63.3	153.4	168.8	69.4	172.5	179.5	90.5	-11.6	110.7	D55 F56 P59 W117 Y184 D188	R53-D55 PolarHBondContact NH1-O 3.26Å; R53-F56 HydrophobicContact CG-CB 4.37Å; R53-F56 HydrophobicContact CG-CD2 4.04Å; R53-F56 PolarHBondContact NH2-O 3.23Å; R53-F56 PolarHBondContact O-N 3.3Å; R53-P59 PolarHBondContact NH1-O 3.46Å; R53-W117 HydrophobicContact CB-CH2 4.41Å; R53-W117 HydrophobicContact CB-CZ2 3.71Å; R53-Y184 HydrophobicContact CB-CE1 4.33Å; R53-Y184 HydrophobicContact CG-CE1 4.49Å; R53-D188 IonicContact CZ-OD1 3.43Å; R53-D188 IonicContact NE-OD1 3Å; R53-D188 PolarHBondContact NE-OD1 3.43Å; R53-D188 IonicContact NH2-OD1 3.72Å; R53-D188 PolarHBondContact NH2-OD1 3.11Å
54	P	95.2	Very high	94.7	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.013	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	141.2	168.8	-22.1	32.9	0	0	0	110.6	F56 V61 D94 W117	P54-F56 VanDerWaalsContact C-N 3.29Å; P54-F56 PolarHBondContact O-N 3.07Å; P54-V61 HydrophobicContact CB-CG2 4.31Å; P54-V61 HydrophobicContact CG-CG2 4.26Å; P54-D94 HydrophobicContact CB-CB 4.27Å; P54-D94 HydrophobicContact CG-CB 3.9Å; P54-W117 VanDerWaalsContact CD-CE3 3.46Å; P54-W117 HydrophobicContact CG-CE3 3.99Å; P54-W117 HydrophobicContact CG-CZ3 4.1Å
55	D	94.3	Very high	94.8	Very high	63 Å²	63	60.6 Å²	60.6	34%	0.337	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	40.9	-179.2	-66.3	-37.1	0	0	0	114	R53 G57 G58 K95	R53-D55 PolarHBondContact NH1-O 3.26Å; D55-G57 PolarHBondContact O-N 3.07Å; D55-G58 WeakPolarHBondContact O-CA 3.46Å; D55-G58 PolarHBondContact O-N 3.49Å; D55-K95 IonicContact OD1-NZ 2.77Å; D55-K95 PolarHBondContact OD1-NZ 2.87Å; D55-K95 WeakPolarHBondContact OD2-CE 3.49Å; D55-K95 IonicContact OD2-NZ 3.49Å; D55-K95 PolarHBondContact OD2-NZ 3.49Å
56	F	93.6	Very high	95	Very high	126 Å²	126	63.4 Å²	63.4	55%	0.553	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-36.2	-175.6	-177.6	-98.4	0	0	0	116	L52 R53 P54	L52-F56 HydrophobicContact CD2-CD1 4.41Å; L52-F56 HydrophobicContact CD2-CD2 3.96Å; L52-F56 HydrophobicContact CD2-CE2 4.13Å; L52-F56 HydrophobicContact CD2-CG 4.13Å; L52-F56 HydrophobicContact CD2-CZ 4.42Å; R53-F56 HydrophobicContact CG-CB 4.37Å; R53-F56 HydrophobicContact CG-CD2 4.04Å; R53-F56 PolarHBondContact NH2-O 3.23Å; R53-F56 PolarHBondContact O-N 3.3Å; P54-F56 VanDerWaalsContact C-N 3.29Å; P54-F56 PolarHBondContact O-N 3.07Å
57	G	91.9	Very high	95.2	Very high	87 Å²	87	54.7 Å²	54.7	90%	0.897	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	10.2	177.8	0	0	0	0	0	114.7	D55	D55-G57 PolarHBondContact O-N 3.07Å
58	G	93.6	Very high	95.3	Very high	41 Å²	41	53.6 Å²	53.6	42%	0.423	29%	0.293	S	S	.	.	S	Bend	trans	-124.5	-146.8	-173.4	0	0	0	0	0	112.1	D55	D55-G58 WeakPolarHBondContact O-CA 3.46Å; D55-G58 PolarHBondContact O-N 3.49Å
59	P	95.8	Very high	95.3	Very high	81 Å²	81	52.5 Å²	52.5	53%	0.526	29%	0.289	S	S	.	.	S	Bend	trans	-62.9	162	-178.3	28	-35.1	0	0	0	112.4	R53	R53-P59 PolarHBondContact NH1-O 3.46Å
60	P	96.3	Very high	95.3	Very high	40 Å²	40	52.4 Å²	52.4	26%	0.26	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-60.4	150.5	169.8	26.4	-34.1	0	0	0	110.5	D188 E190	P60-D188 WeakPolarHBondContact CA-O 2.96Å; P60-E190 HydrophobicContact CB-CG 4.17Å; P60-E190 HydrophobicContact CG-CG 4.1Å
61	V	96.7	Very high	95.4	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.055	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.4	174.9	64.9	0	0	0	0	110.2	P54 V63 W92 W117 D188 I189 E190	P54-V61 HydrophobicContact CB-CG2 4.31Å; P54-V61 HydrophobicContact CG-CG2 4.26Å; V61-V63 HydrophobicContact CG1-CG2 4.28Å; V61-V63 PolarHBondContact O-N 3.28Å; V61-W92 HydrophobicContact CG2-CB 4.09Å; V61-W117 HydrophobicContact CG1-CH2 3.74Å; V61-W117 HydrophobicContact CG1-CZ3 4.41Å; V61-D188 PolarHBondContact N-O 2.95Å; V61-I189 HydrophobicContact CG1-CB 4.18Å; V61-I189 HydrophobicContact CG1-CD1 4.17Å; V61-I189 HydrophobicContact CG1-CG1 3.8Å; V61-I189 WeakPolarHBondContact O-CA 3.31Å; V61-E190 PolarHBondContact O-N 2.79Å
62	D	96.3	Very high	95.4	Very high	87 Å²	87	41.8 Å²	41.8	47%	0.465	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	112.9	176.9	-65.8	-37.1	0	0	0	110.3	Y192	D62-Y192 HydrophobicContact CB-CE1 3.9Å
63	V	97.4	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.3	177.4	-174.4	0	0	0	0	110.5	V61 Q90 W92 P119 I189 E190 F191 Y192	V61-V63 HydrophobicContact CG1-CG2 4.28Å; V61-V63 PolarHBondContact O-N 3.28Å; V63-Q90 HydrophobicContact CG1-CB 4.16Å; V63-Q90 HydrophobicContact CG1-CG 4.46Å; V63-W92 HydrophobicContact CG2-CB 4.03Å; V63-P119 HydrophobicContact CG1-CG 4.2Å; V63-P119 HydrophobicContact CG2-CB 4.44Å; V63-I189 HydrophobicContact CG2-CD1 3.74Å; V63-I189 HydrophobicContact CG2-CG1 3.83Å; V63-E190 PolarHBondContact N-O 3.08Å; V63-F191 HydrophobicContact CB-CD1 3.92Å; V63-F191 HydrophobicContact CB-CE1 4.06Å; V63-F191 HydrophobicContact CG1-CE1 4.46Å; V63-F191 HydrophobicContact CG2-CE1 4.44Å; V63-Y192 VanDerWaalsContact C-CE1 3.47Å; V63-Y192 PolarHBondContact O-N 2.98Å
64	G	96.7	Very high	95.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.1	175.9	0	0	0	0	0	111.3	Q90 S91 Y192	G64-Q90 CarbonylContact O-C 3.52Å; G64-Q90 WeakPolarHBondContact O-CA 3.4Å; G64-S91 PolarHBondContact N-O 3.45Å; G64-S91 PolarHBondContact O-N 3.05Å; G64-Y192 VanDerWaalsContact CA-CE1 3.44Å; G64-Y192 WeakPolarHBondContact CA-O 3.5Å
65	M	96.4	Very high	95.1	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141	178.3	-60.5	-164.2	-172.8	0	0	111.9	F88 Q89 T121 I179 F191 Y192 N194 L233	M65-F88 HydrophobicContact CE-CZ 4.42Å; M65-F88 HydrophobicContact SD-CE2 3.8Å; M65-F88 HydrophobicContact SD-CZ 3.74Å; M65-Q89 WeakPolarHBondContact CA-O 3.45Å; M65-T121 HydrophobicContact CE-CG2 3.56Å; M65-I179 HydrophobicContact CE-CG2 3.89Å; M65-I179 HydrophobicContact SD-CB 4.4Å; M65-I179 HydrophobicContact SD-CD1 4.31Å; M65-I179 HydrophobicContact SD-CG2 3.64Å; M65-F191 HydrophobicContact CE-CB 4.44Å; M65-F191 HydrophobicContact CE-CD1 3.59Å; M65-F191 HydrophobicContact CE-CD2 3.63Å; M65-F191 HydrophobicContact CE-CE1 3.53Å; M65-F191 HydrophobicContact CE-CE2 3.58Å; M65-F191 HydrophobicContact CE-CG 3.65Å; M65-F191 HydrophobicContact CE-CZ 3.55Å; M65-Y192 PolarHBondContact N-O 3.48Å; M65-N194 PolarHBondContact O-N 2.93Å; M65-L233 HydrophobicContact CB-CD1 3.91Å; M65-L233 HydrophobicContact CG-CD1 3.91Å; M65-L233 HydrophobicContact SD-CD1 3.75Å
66	R	96.7	Very high	95.1	Very high	105 Å²	105	45.6 Å²	45.6	40%	0.396	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.1	173.4	-176.4	179	-174.4	149.7	5	109.4	Q89 A199	R66-Q89 HydrophobicContact CB-CB 4.17Å; R66-Q89 PolarHBondContact N-O 2.63Å; R66-Q89 PolarHBondContact O-N 3.42Å; R66-A199 WeakPolarHBondContact CA-O 3.48Å; R66-A199 VanDerWaalsContact CG-O 3.3Å; R66-A199 WeakPolarHBondContact CG-O 3.27Å
67	I	96.6	Very high	94.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.7	-177.7	-59.9	178.8	0	0	0	108.8	V69 M86 Y87 F88 I179 W193 A199 V200 T201 L235	I67-V69 HydrophobicContact CG2-CG2 4Å; I67-M86 HydrophobicContact CD1-SD 4.4Å; I67-M86 HydrophobicContact CG2-CB 4.01Å; I67-M86 HydrophobicContact CG2-CG 4.42Å; I67-M86 HydrophobicContact CG2-SD 3.74Å; I67-Y87 WeakPolarHBondContact CA-O 3.22Å; I67-F88 HydrophobicContact CD1-CD2 4.43Å; I67-F88 HydrophobicContact CG1-CD2 4.01Å; I67-F88 HydrophobicContact CG1-CE2 4.47Å; I67-I179 HydrophobicContact CD1-CD1 3.71Å; I67-W193 HydrophobicContact CD1-CH2 3.82Å; I67-W193 HydrophobicContact CD1-CZ3 3.74Å; I67-W193 HydrophobicContact CG1-CZ3 4.09Å; I67-A199 PolarHBondContact N-O 2.96Å; I67-V200 HydrophobicContact CB-CG2 4.29Å; I67-V200 CarbonylContact O-C 3.59Å; I67-V200 VanDerWaalsContact O-CA 3.26Å; I67-V200 WeakPolarHBondContact O-CA 3.42Å; I67-T201 PolarHBondContact O-N 2.83Å; I67-L235 HydrophobicContact CD1-CD2 4.22Å
68	D	95.7	Very high	94.9	Very high	59 Å²	59	40.6 Å²	40.6	32%	0.316	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.6	166.5	-170.9	33.8	0	0	0	108.8	A70 M86 Y87 T201 G202	D68-A70 PolarHBondContact O-N 2.91Å; D68-M86 CarbonylContact O-C 3.51Å; D68-M86 WeakPolarHBondContact O-CA 3.18Å; D68-Y87 HydrophobicContact CB-CD2 4.35Å; D68-Y87 PolarHBondContact N-O 2.8Å; D68-Y87 PolarHBondContact O-N 3.5Å; D68-T201 WeakPolarHBondContact CB-OG1 3.4Å; D68-T201 VanDerWaalsContact CG-OG1 3.23Å; D68-T201 WeakPolarHBondContact OD1-CB 3.47Å; D68-T201 PolarHBondContact OD1-OG1 2.96Å; D68-G202 PolarHBondContact OD1-N 3.44Å
69	V	95.8	Very high	94.8	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.6	-177.2	-177.7	0	0	0	0	109	I67 L84 V200 T201 V203 I206 F237	I67-V69 HydrophobicContact CG2-CG2 4Å; V69-L84 HydrophobicContact CG1-CD1 3.44Å; V69-L84 VanDerWaalsContact CG1-CD1 3.44Å; V69-L84 HydrophobicContact CG2-CD1 4.33Å; V69-V200 HydrophobicContact CG2-CG1 4.45Å; V69-T201 PolarHBondContact N-O 3.4Å; V69-V203 HydrophobicContact CG2-CG2 4.4Å; V69-I206 HydrophobicContact CB-CD1 4.06Å; V69-I206 HydrophobicContact CG1-CD1 3.4Å; V69-I206 HydrophobicContact CG1-CG1 4.21Å; V69-F237 HydrophobicContact CG2-CZ 4.38Å
70	A	94.8	Very high	94.7	Very high	49 Å²	49	41.4 Å²	41.4	41%	0.405	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-50.7	177.7	0	0	0	0	0	111.2	D68 T85 Y87	D68-A70 PolarHBondContact O-N 2.91Å; A70-T85 HydrophobicContact CB-CG2 4.22Å; A70-T85 WeakPolarHBondContact CB-O 3.24Å; A70-T85 PolarHBondContact N-O 2.95Å; A70-Y87 HydrophobicContact CB-CE2 4.2Å
71	S	94.5	Very high	94.7	Very high	41 Å²	41	40.1 Å²	40.1	29%	0.287	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	154.1	179.2	57.2	0	0	0	0	111.4	D73 T85	S71-D73 WeakPolarHBondContact CB-OD1 3.19Å; S71-D73 PolarHBondContact OG-OD1 3.04Å; S71-T85 PolarHBondContact N-O 3.33Å; S71-T85 PolarHBondContact O-N 3.32Å
72	I	94.8	Very high	94.7	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.046	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.1	159.6	-63.6	172.2	0	0	0	105.4	V75 T83 L84 I206 L208 I213	I72-V75 HydrophobicContact CG2-CG2 4.12Å; I72-T83 CarbonylContact C-O 3.59Å; I72-T83 WeakPolarHBondContact CA-O 3.43Å; I72-L84 HydrophobicContact CD1-CD1 4.45Å; I72-L84 HydrophobicContact CG1-CD1 3.68Å; I72-I206 HydrophobicContact CB-CG2 4.15Å; I72-I206 HydrophobicContact CD1-CD1 4.06Å; I72-I206 HydrophobicContact CD1-CG2 4.26Å; I72-I206 HydrophobicContact CG1-CD1 4.18Å; I72-I206 HydrophobicContact CG1-CG2 4.23Å; I72-L208 HydrophobicContact CB-CD1 4.37Å; I72-L208 HydrophobicContact CB-CD2 3.94Å; I72-L208 HydrophobicContact CB-CG 4.46Å; I72-L208 HydrophobicContact CD1-CD1 4.42Å; I72-L208 HydrophobicContact CG2-CD1 4.24Å; I72-L208 HydrophobicContact CG2-CD2 3.85Å; I72-L208 VanDerWaalsContact O-CD2 3.27Å; I72-L208 WeakPolarHBondContact O-CD2 3.49Å; I72-I213 HydrophobicContact CD1-CD1 4.1Å
73	D	92.4	Very high	94.7	Very high	84 Å²	84	36.5 Å²	36.5	45%	0.449	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-47.5	-165.4	-58.6	-34.4	0	0	0	111.3	S71 T83 T85	S71-D73 WeakPolarHBondContact CB-OD1 3.19Å; S71-D73 PolarHBondContact OG-OD1 3.04Å; D73-T83 HydrophobicContact CB-CG2 4.17Å; D73-T83 PolarHBondContact N-O 2.91Å; D73-T85 PolarHBondContact OD2-OG1 2.98Å; D73-T85 VanDerWaalsContact OD2-OG1 3.1Å
74	M	92.4	Very high	94.7	Very high	105 Å²	105	36.5 Å²	36.5	52%	0.517	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	147.7	177.4	62.6	-175	-66.9	0	0	110.8	Y82 T83	M74-Y82 CarbonylContact O-C 3.56Å; M74-Y82 VanDerWaalsContact O-CA 3.31Å; M74-Y82 WeakPolarHBondContact O-CA 3.4Å; M74-T83 PolarHBondContact O-N 3.49Å
75	V	94.4	Very high	94.7	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.3	170.3	-179.8	0	0	0	0	105.9	I72 M163 F211 L239	I72-V75 HydrophobicContact CG2-CG2 4.12Å; V75-M163 HydrophobicContact CG1-CE 3.51Å; V75-F211 HydrophobicContact CB-CD2 4.19Å; V75-F211 HydrophobicContact CB-CE2 3.79Å; V75-F211 HydrophobicContact CB-CZ 4.46Å; V75-F211 HydrophobicContact CG1-CD2 4.48Å; V75-F211 HydrophobicContact CG1-CE2 3.81Å; V75-F211 HydrophobicContact CG1-CZ 3.98Å; V75-F211 HydrophobicContact CG2-CD2 4.32Å; V75-F211 HydrophobicContact CG2-CE2 4.4Å; V75-L239 HydrophobicContact CG2-CD1 4.26Å
76	S	93.5	Very high	94.7	Very high	14 Å²	14	36.8 Å²	36.8	10%	0.098	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.9	-178.3	-172.7	0	0	0	0	110.5	V78 N79 M80 D81	S76-V78 VanDerWaalsContact C-N 3.29Å; S76-N79 PolarHBondContact OG-N 2.95Å; S76-M80 WeakPolarHBondContact O-CA 3.47Å; S76-M80 PolarHBondContact O-N 3.12Å; S76-D81 WeakPolarHBondContact CB-OD1 3.49Å; S76-D81 PolarHBondContact N-O 3.09Å; S76-D81 PolarHBondContact O-N 2.8Å
77	E	91.1	Very high	94.7	Very high	22 Å²	22	36.7 Å²	36.7	10%	0.103	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-29.5	170.6	-57.3	84.8	170.4	0	0	111.4	M163 L165 F211 R241 P298	E77-M163 HydrophobicContact CB-SD 4.42Å; E77-M163 HydrophobicContact CG-SD 4.05Å; E77-L165 HydrophobicContact CB-CD1 4.27Å; E77-F211 WeakPolarHBondContact OE1-CZ 3.14Å; E77-R241 IonicContact OE1-CZ 2.76Å; E77-R241 IonicContact OE1-NH1 3.53Å; E77-R241 PolarHBondContact OE1-NH1 3.16Å; E77-R241 IonicContact OE1-NH2 3.53Å; E77-R241 PolarHBondContact OE1-NH2 2.91Å; E77-P298 HydrophobicContact CB-CG 4.17Å; E77-P298 WeakPolarHBondContact O-CB 3.25Å; E77-P298 VanDerWaalsContact O-CG 3.26Å; E77-P298 WeakPolarHBondContact O-CG 3.28Å
78	V	90.8	Very high	94.7	Very high	86 Å²	86	36.8 Å²	36.8	52%	0.521	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-47.6	179.3	179.6	0	0	0	0	110.8	S76	S76-V78 VanDerWaalsContact C-N 3.29Å
79	N	92.5	Very high	94.8	Very high	94 Å²	94	36.7 Å²	36.7	50%	0.503	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-7.7	-178.1	-63.9	-31.2	0	0	0	113.3	S76 D81 K127	S76-N79 PolarHBondContact OG-N 2.95Å; N79-D81 WeakPolarHBondContact CB-OD1 3.49Å; N79-D81 VanDerWaalsContact CB-OD2 3.29Å; N79-D81 WeakPolarHBondContact CB-OD2 3.2Å; N79-K127 PolarHBondContact O-NZ 3.49Å
80	M	93.7	Very high	94.9	Very high	44 Å²	44	36.6 Å²	36.6	22%	0.217	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	50	-174.2	-61.1	-73.2	-178.7	0	0	111.4	S76 C161 M163 L165 P298 I300	S76-M80 WeakPolarHBondContact O-CA 3.47Å; S76-M80 PolarHBondContact O-N 3.12Å; M80-C161 CarbonylContact C-O 3.57Å; M80-C161 WeakPolarHBondContact CB-O 3.3Å; M80-C161 PolarHBondContact O-N 2.93Å; M80-M163 HydrophobicContact SD-CB 3.76Å; M80-M163 HydrophobicContact SD-CG 4.04Å; M80-M163 HydrophobicContact SD-SD 4.35Å; M80-L165 HydrophobicContact CE-CD1 4.27Å; M80-P298 HydrophobicContact CE-CB 4.48Å; M80-P298 HydrophobicContact CE-CG 4.3Å; M80-I300 HydrophobicContact CE-CD1 3.95Å; M80-I300 HydrophobicContact CE-CG1 4.46Å
81	D	96.4	Very high	95	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	165.9	178.4	53.2	34.4	0	0	0	113	S76 N79 K127 T158 A159	S76-D81 WeakPolarHBondContact CB-OD1 3.49Å; S76-D81 PolarHBondContact N-O 3.09Å; S76-D81 PolarHBondContact O-N 2.8Å; N79-D81 WeakPolarHBondContact CB-OD1 3.49Å; N79-D81 VanDerWaalsContact CB-OD2 3.29Å; N79-D81 WeakPolarHBondContact CB-OD2 3.2Å; D81-K127 HydrophobicContact CB-CD 4.34Å; D81-K127 IonicContact OD2-NZ 3.81Å; D81-K127 PolarHBondContact OD2-NZ 3.28Å; D81-T158 HydrophobicContact CB-CG2 3.89Å; D81-A159 CarbonylContact C-O 3.54Å; D81-A159 VanDerWaalsContact CA-O 3.26Å; D81-A159 WeakPolarHBondContact CA-O 3.36Å; D81-A159 VanDerWaalsContact CB-O 3.28Å; D81-A159 WeakPolarHBondContact CB-O 3.36Å
82	Y	96.3	Very high	95.1	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.7	172.8	68.3	-78.4	0	0	0	110.1	M74 L84 T158 A159 C161 C175 T176 L177	M74-Y82 CarbonylContact O-C 3.56Å; M74-Y82 VanDerWaalsContact O-CA 3.31Å; M74-Y82 WeakPolarHBondContact O-CA 3.4Å; Y82-L84 HydrophobicContact CD2-CB 4.27Å; Y82-L84 HydrophobicContact CE2-CB 4.06Å; Y82-T158 CarbonylContact O-C 3.57Å; Y82-T158 WeakPolarHBondContact O-CA 3.48Å; Y82-A159 HydrophobicContact CD1-CB 4.31Å; Y82-A159 VanDerWaalsContact CD1-O 3.27Å; Y82-A159 WeakPolarHBondContact CD1-O 3.45Å; Y82-A159 HydrophobicContact CE1-CB 3.63Å; Y82-A159 HydrophobicContact CE2-CB 4.31Å; Y82-A159 PolarHBondContact N-O 2.72Å; Y82-A159 PolarHBondContact O-N 2.99Å; Y82-C161 HydrophobicContact CD1-CB 3.82Å; Y82-C161 HydrophobicContact CE1-CB 4.09Å; Y82-C175 HydrophobicContact CD1-CB 3.92Å; Y82-C175 HydrophobicContact CE1-CB 3.76Å; Y82-T176 PolarHBondContact OH-O 3.19Å; Y82-L177 PolarHBondContact OH-N 3.45Å
83	T	96.6	Very high	95.2	Very high	18 Å²	18	38.4 Å²	38.4	11%	0.11	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.6	178.1	-59.7	0	0	0	0	109.8	I72 D73 M74 T156 T157 T158	I72-T83 CarbonylContact C-O 3.59Å; I72-T83 WeakPolarHBondContact CA-O 3.43Å; D73-T83 HydrophobicContact CB-CG2 4.17Å; D73-T83 PolarHBondContact N-O 2.91Å; M74-T83 PolarHBondContact O-N 3.49Å; T83-T156 HydrophobicContact CG2-CG2 3.6Å; T83-T157 WeakPolarHBondContact CA-O 3.44Å; T83-T158 PolarHBondContact OG1-OG1 3.4Å; T83-T158 VanDerWaalsContact OG1-OG1 3.1Å
84	L	96.1	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.5	-178	176.4	73.7	0	0	0	109.6	V69 I72 Y82 M86 T156 T157 L177	V69-L84 HydrophobicContact CG1-CD1 3.44Å; V69-L84 VanDerWaalsContact CG1-CD1 3.44Å; V69-L84 HydrophobicContact CG2-CD1 4.33Å; I72-L84 HydrophobicContact CD1-CD1 4.45Å; I72-L84 HydrophobicContact CG1-CD1 3.68Å; Y82-L84 HydrophobicContact CD2-CB 4.27Å; Y82-L84 HydrophobicContact CE2-CB 4.06Å; L84-M86 HydrophobicContact CD2-CG 4.41Å; L84-M86 HydrophobicContact CD2-SD 3.78Å; L84-M86 HydrophobicContact CG-CB 4.49Å; L84-T156 CarbonylContact O-C 3.56Å; L84-T156 VanDerWaalsContact O-CA 3.31Å; L84-T156 WeakPolarHBondContact O-CA 3.46Å; L84-T157 HydrophobicContact CB-CG2 4.27Å; L84-T157 PolarHBondContact N-O 2.95Å; L84-T157 PolarHBondContact O-N 3.49Å; L84-L177 HydrophobicContact CD2-CD2 3.9Å
85	T	96.7	Very high	95.5	Very high	6 Å²	6	35 Å²	35	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.1	169.6	-62.8	0	0	0	0	109.3	A70 S71 D73 I155 T156	A70-T85 HydrophobicContact CB-CG2 4.22Å; A70-T85 WeakPolarHBondContact CB-O 3.24Å; A70-T85 PolarHBondContact N-O 2.95Å; S71-T85 PolarHBondContact N-O 3.33Å; S71-T85 PolarHBondContact O-N 3.32Å; D73-T85 PolarHBondContact OD2-OG1 2.98Å; D73-T85 VanDerWaalsContact OD2-OG1 3.1Å; T85-I155 WeakPolarHBondContact CA-O 3.12Å; T85-T156 WeakPolarHBondContact CG2-OG1 3.37Å; T85-T156 PolarHBondContact OG1-OG1 3.41Å
86	M	96.7	Very high	95.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.1	-174.9	62.3	179.6	178.2	0	0	112.9	I67 D68 L84 F88 F123 I155 T157 L177	I67-M86 HydrophobicContact CD1-SD 4.4Å; I67-M86 HydrophobicContact CG2-CB 4.01Å; I67-M86 HydrophobicContact CG2-CG 4.42Å; I67-M86 HydrophobicContact CG2-SD 3.74Å; D68-M86 CarbonylContact O-C 3.51Å; D68-M86 WeakPolarHBondContact O-CA 3.18Å; L84-M86 HydrophobicContact CD2-CG 4.41Å; L84-M86 HydrophobicContact CD2-SD 3.78Å; L84-M86 HydrophobicContact CG-CB 4.49Å; M86-F88 HydrophobicContact CE-CB 4.49Å; M86-F123 HydrophobicContact CE-CE1 3.64Å; M86-F123 HydrophobicContact CE-CE2 4.02Å; M86-F123 HydrophobicContact CE-CZ 3.3Å; M86-I155 PolarHBondContact N-O 2.76Å; M86-I155 PolarHBondContact O-N 2.88Å; M86-T157 HydrophobicContact CE-CG2 4.26Å; M86-L177 HydrophobicContact CE-CD2 3.87Å; M86-L177 HydrophobicContact SD-CD2 3.89Å
87	Y	97.2	Very high	95.5	Very high	104 Å²	104	37.6 Å²	37.6	41%	0.408	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.4	161.6	-59.3	-83.1	0	0	0	108.5	I67 D68 A70 L153 R154	I67-Y87 WeakPolarHBondContact CA-O 3.22Å; D68-Y87 HydrophobicContact CB-CD2 4.35Å; D68-Y87 PolarHBondContact N-O 2.8Å; D68-Y87 PolarHBondContact O-N 3.5Å; A70-Y87 HydrophobicContact CB-CE2 4.2Å; Y87-L153 CarbonylContact C-O 3.48Å; Y87-L153 WeakPolarHBondContact CA-O 3.45Å; Y87-R154 HydrophobicContact CD1-CB 4.11Å; Y87-R154 HydrophobicContact CD1-CG 4.1Å; Y87-R154 HydrophobicContact CE1-CB 4.15Å; Y87-R154 HydrophobicContact CE1-CG 3.89Å
88	F	97.3	Very high	95.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.2	-179.7	-177.6	-125.6	0	0	0	109.2	M65 I67 M86 Q90 F123 G152 L153 I155 I179	M65-F88 HydrophobicContact CE-CZ 4.42Å; M65-F88 HydrophobicContact SD-CE2 3.8Å; M65-F88 HydrophobicContact SD-CZ 3.74Å; I67-F88 HydrophobicContact CD1-CD2 4.43Å; I67-F88 HydrophobicContact CG1-CD2 4.01Å; I67-F88 HydrophobicContact CG1-CE2 4.47Å; M86-F88 HydrophobicContact CE-CB 4.49Å; F88-Q90 HydrophobicContact CE1-CG 4.13Å; F88-Q90 HydrophobicContact CZ-CG 4.18Å; F88-Q90 VanDerWaalsContact CZ-NE2 3.34Å; F88-F123 HydrophobicContact CD1-CZ 4.35Å; F88-F123 HydrophobicContact CE1-CZ 4.29Å; F88-G152 CarbonylContact O-C 3.54Å; F88-G152 WeakPolarHBondContact O-CA 3.3Å; F88-L153 HydrophobicContact CB-CB 4.43Å; F88-L153 HydrophobicContact CD1-CD1 4.4Å; F88-L153 PolarHBondContact N-O 3.33Å; F88-L153 PolarHBondContact O-N 3.06Å; F88-I155 HydrophobicContact CB-CD1 4.12Å; F88-I155 HydrophobicContact CD1-CD1 3.97Å; F88-I155 HydrophobicContact CG-CD1 4.41Å; F88-I179 HydrophobicContact CE2-CD1 4.02Å; F88-I179 HydrophobicContact CE2-CG2 4.43Å; F88-I179 HydrophobicContact CZ-CG2 4.03Å
89	Q	97.1	Very high	95.8	Very high	57 Å²	57	36 Å²	36	27%	0.266	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.3	-178	-66	179.4	0.1	0	0	110.5	M65 R66 L150 Y151	M65-Q89 WeakPolarHBondContact CA-O 3.45Å; R66-Q89 HydrophobicContact CB-CB 4.17Å; R66-Q89 PolarHBondContact N-O 2.63Å; R66-Q89 PolarHBondContact O-N 3.42Å; Q89-L150 HydrophobicContact CB-CD1 4.27Å; Q89-Y151 CarbonylContact C-O 3.58Å; Q89-Y151 WeakPolarHBondContact CA-O 3.4Å
90	Q	97.3	Very high	95.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.8	176.7	-64.5	172.6	-3.8	0	0	108.9	V63 G64 F88 W92 T121 L150 Y151	V63-Q90 HydrophobicContact CG1-CB 4.16Å; V63-Q90 HydrophobicContact CG1-CG 4.46Å; G64-Q90 CarbonylContact O-C 3.52Å; G64-Q90 WeakPolarHBondContact O-CA 3.4Å; F88-Q90 HydrophobicContact CE1-CG 4.13Å; F88-Q90 HydrophobicContact CZ-CG 4.18Å; F88-Q90 VanDerWaalsContact CZ-NE2 3.34Å; Q90-W92 HydrophobicContact CB-CE3 4.29Å; Q90-W92 HydrophobicContact CB-CZ3 4.1Å; Q90-T121 VanDerWaalsContact NE2-CG2 3.27Å; Q90-T121 PolarHBondContact NE2-OG1 3.35Å; Q90-L150 WeakPolarHBondContact O-CA 3.21Å; Q90-Y151 PolarHBondContact N-O 3.04Å; Q90-Y151 PolarHBondContact O-N 3.5Å
91	S	96.8	Very high	95.3	Very high	21 Å²	21	35.7 Å²	35.7	15%	0.147	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.6	177.6	-171	0	0	0	0	109.1	G64 T148 V149	G64-S91 PolarHBondContact N-O 3.45Å; G64-S91 PolarHBondContact O-N 3.05Å; S91-T148 WeakPolarHBondContact OG-CG2 3.35Å; S91-V149 VanDerWaalsContact CA-O 3.32Å; S91-V149 WeakPolarHBondContact CA-O 3.49Å
92	W	97.3	Very high	94.9	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.019	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	165.1	172.4	69.2	93.3	0	0	0	109.9	V61 V63 Q90 W117 V118 P119 T148 V149 Y151	V61-W92 HydrophobicContact CG2-CB 4.09Å; V63-W92 HydrophobicContact CG2-CB 4.03Å; Q90-W92 HydrophobicContact CB-CE3 4.29Å; Q90-W92 HydrophobicContact CB-CZ3 4.1Å; W92-W117 HydrophobicContact CD2-CZ3 4.42Å; W92-W117 HydrophobicContact CG-CZ3 4.36Å; W92-W117 VanDerWaalsContact CZ2-O 3.25Å; W92-W117 WeakPolarHBondContact CZ2-O 3.29Å; W92-W117 AromaticContact NE1-CE3 3.91Å; W92-W117 AromaticContact NE1-CZ3 3.94Å; W92-V118 HydrophobicContact CH2-CB 4.4Å; W92-V118 HydrophobicContact CH2-CG1 4.06Å; W92-V118 HydrophobicContact CZ2-CG1 4.49Å; W92-P119 HydrophobicContact CE3-CG 4.42Å; W92-P119 HydrophobicContact CZ3-CG 4.33Å; W92-T148 CarbonylContact O-C 3.48Å; W92-T148 WeakPolarHBondContact O-CA 3.02Å; W92-V149 HydrophobicContact CD2-CB 4.19Å; W92-V149 HydrophobicContact CH2-CB 4.38Å; W92-V149 HydrophobicContact CH2-CG1 3.85Å; W92-V149 HydrophobicContact CZ2-CB 3.85Å; W92-V149 HydrophobicContact CZ2-CG1 3.58Å; W92-V149 HydrophobicContact CZ2-CG2 4.39Å; W92-V149 PolarHBondContact N-O 2.91Å; W92-V149 PolarHBondContact O-N 3.32Å; W92-Y151 HydrophobicContact CH2-CG 4.27Å; W92-Y151 HydrophobicContact CZ3-CD1 4.44Å; W92-Y151 HydrophobicContact CZ3-CG 4.37Å
93	K	96.5	Very high	94.5	Very high	111 Å²	111	40 Å²	40	48%	0.483	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.1	178.1	-171.7	170.6	-176.6	165.5	0	110.4	D146	K93-D146 VanDerWaalsContact CE-O 3.27Å; K93-D146 WeakPolarHBondContact CE-O 3.43Å
94	D	96.4	Very high	94.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.239	C	C	.	.			trans	-118	108.7	171.5	-169.4	-13.8	0	0	0	110.4	Y48 P54 R96 L97 G147 V149	Y48-D94 PolarHBondContact OH-OD2 2.89Å; P54-D94 HydrophobicContact CB-CB 4.27Å; P54-D94 HydrophobicContact CG-CB 3.9Å; D94-R96 PolarHBondContact O-N 2.9Å; D94-R96 VanDerWaalsContact OD1-CB 3.25Å; D94-R96 WeakPolarHBondContact OD1-CB 3.48Å; D94-R96 WeakPolarHBondContact OD1-CG 3.43Å; D94-R96 IonicContact OD1-CZ 3.31Å; D94-R96 PolarHBondContact OD1-N 3.36Å; D94-R96 IonicContact OD1-NE 3.01Å; D94-R96 PolarHBondContact OD1-NE 3.16Å; D94-R96 IonicContact OD1-NH2 2.88Å; D94-R96 IonicContact OD2-CZ 4Å; D94-R96 IonicContact OD2-NE 3.89Å; D94-R96 PolarHBondContact OD2-NE 3.42Å; D94-R96 VanDerWaalsContact OD2-NE 3.1Å; D94-R96 IonicContact OD2-NH2 2.73Å; D94-R96 PolarHBondContact OD2-NH2 3.22Å; D94-L97 HydrophobicContact CB-CB 4.48Å; D94-L97 HydrophobicContact CB-CD1 4.11Å; D94-L97 HydrophobicContact CB-CG 4.31Å; D94-L97 PolarHBondContact O-N 3.37Å; D94-L97 VanDerWaalsContact O-N 3.08Å; D94-G147 PolarHBondContact N-O 3.16Å; D94-G147 WeakPolarHBondContact O-CA 3.37Å; D94-V149 HydrophobicContact CB-CG2 4.37Å
95	K	94.2	Very high	94	Very high	116 Å²	116	48 Å²	48	50%	0.504	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-59.8	-27.9	179.8	-64.2	171	-173.3	147.4	0	112.5	D55 L97 S98	D55-K95 IonicContact OD1-NZ 2.77Å; D55-K95 PolarHBondContact OD1-NZ 2.87Å; D55-K95 WeakPolarHBondContact OD2-CE 3.49Å; D55-K95 IonicContact OD2-NZ 3.49Å; D55-K95 PolarHBondContact OD2-NZ 3.49Å; K95-L97 PolarHBondContact O-N 3.13Å; K95-S98 WeakPolarHBondContact O-CB 3.44Å; K95-S98 PolarHBondContact O-N 3.27Å; K95-S98 PolarHBondContact O-OG 3.44Å
96	R	94.1	Very high	93.8	Very high	83 Å²	83	48.5 Å²	48.5	31%	0.313	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-66.9	-24.5	179.2	-58.1	173.5	-67.3	-175.3	-0.7	112.4	Y48 D49 L52 D94	Y48-R96 HydrophobicContact CD2-CB 4.14Å; Y48-R96 HydrophobicContact CE2-CB 4.08Å; Y48-R96 PolarHBondContact OH-NH2 3.28Å; D49-R96 PolarHBondContact O-NH1 3.46Å; L52-R96 PolarHBondContact O-NH1 3.34Å; L52-R96 PolarHBondContact O-NH2 2.91Å; L52-R96 VanDerWaalsContact O-NH2 3.08Å; D94-R96 PolarHBondContact O-N 2.9Å; D94-R96 VanDerWaalsContact OD1-CB 3.25Å; D94-R96 WeakPolarHBondContact OD1-CB 3.48Å; D94-R96 WeakPolarHBondContact OD1-CG 3.43Å; D94-R96 IonicContact OD1-CZ 3.31Å; D94-R96 PolarHBondContact OD1-N 3.36Å; D94-R96 IonicContact OD1-NE 3.01Å; D94-R96 PolarHBondContact OD1-NE 3.16Å; D94-R96 IonicContact OD1-NH2 2.88Å; D94-R96 IonicContact OD2-CZ 4Å; D94-R96 IonicContact OD2-NE 3.89Å; D94-R96 PolarHBondContact OD2-NE 3.42Å; D94-R96 VanDerWaalsContact OD2-NE 3.1Å; D94-R96 IonicContact OD2-NH2 2.73Å; D94-R96 PolarHBondContact OD2-NH2 3.22Å
97	L	94.5	Very high	93.7	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-99.4	14.1	-178.6	-59.9	174.6	0	0	0	112.7	L44 Y48 D94 K95 L116 L143 V149	L44-L97 HydrophobicContact CB-CD2 4.48Å; Y48-L97 HydrophobicContact CD2-CD2 3.97Å; Y48-L97 HydrophobicContact CE2-CD1 4.34Å; Y48-L97 HydrophobicContact CE2-CD2 3.85Å; Y48-L97 HydrophobicContact CE2-CG 4Å; D94-L97 HydrophobicContact CB-CB 4.48Å; D94-L97 HydrophobicContact CB-CD1 4.11Å; D94-L97 HydrophobicContact CB-CG 4.31Å; D94-L97 PolarHBondContact O-N 3.37Å; D94-L97 VanDerWaalsContact O-N 3.08Å; K95-L97 PolarHBondContact O-N 3.13Å; L97-L116 HydrophobicContact CD1-CD1 4.43Å; L97-L116 HydrophobicContact CD1-CD2 3.91Å; L97-L116 HydrophobicContact CD2-CD2 3.78Å; L97-L143 HydrophobicContact CB-CD2 4.45Å; L97-L143 HydrophobicContact CD1-CD2 4.14Å; L97-V149 HydrophobicContact CD1-CG2 3.71Å
98	S	94	Very high	93.5	Very high	62 Å²	62	49.5 Å²	49.5	43%	0.434	28%	0.277	S	S	.	.			trans	-75.6	137.1	175.7	63.1	0	0	0	0	111.5	L44 K95	L44-S98 VanDerWaalsContact CD2-O 3.29Å; L44-S98 WeakPolarHBondContact CD2-O 3.28Å; K95-S98 WeakPolarHBondContact O-CB 3.44Å; K95-S98 PolarHBondContact O-N 3.27Å; K95-S98 PolarHBondContact O-OG 3.44Å
99	Y	93.1	Very high	93.3	Very high	11 Å²	11	53.1 Å²	53.1	4%	0.043	30%	0.297	C	S	.	.			trans	-132	143	-179.9	58.4	-90	0	0	0	111.3	T40 L44 I102 L104 L106 L143 H144 P145	T40-Y99 HydrophobicContact CG2-CG 4.39Å; L44-Y99 HydrophobicContact CD1-CD1 4.21Å; Y99-I102 HydrophobicContact CD2-CB 4.01Å; Y99-I102 HydrophobicContact CD2-CD1 4.49Å; Y99-I102 HydrophobicContact CE2-CB 3.88Å; Y99-I102 HydrophobicContact CE2-CG2 4.41Å; Y99-L104 PolarHBondContact OH-O 2.89Å; Y99-L106 HydrophobicContact CD1-CD1 4.3Å; Y99-L106 HydrophobicContact CD2-CD1 4.43Å; Y99-L106 HydrophobicContact CE1-CD1 3.99Å; Y99-L106 HydrophobicContact CE1-CG 4.3Å; Y99-L106 HydrophobicContact CE2-CD1 4.13Å; Y99-L106 HydrophobicContact CE2-CG 4.23Å; Y99-L106 PolarHBondContact OH-N 2.93Å; Y99-L143 HydrophobicContact CE1-CB 4.02Å; Y99-L143 PolarHBondContact OH-O 3.46Å; Y99-H144 VanDerWaalsContact CE1-C 3.47Å; Y99-H144 WeakPolarHBondContact CE1-O 3.35Å; Y99-P145 HydrophobicContact CD2-CB 4.21Å; Y99-P145 HydrophobicContact CE2-CB 3.76Å; Y99-P145 VanDerWaalsContact CZ-CA 3.48Å; Y99-P145 PolarHBondContact N-O 3.25Å; Y99-P145 WeakPolarHBondContact OH-CD 3.28Å
100	S	90.5	Very high	93.2	Very high	83 Å²	83	51.2 Å²	51.2	58%	0.58	29%	0.288	S	S	*	.	S	Bend	trans	-111.4	150.1	175.2	54.3	0	0	0	0	110.4	Y36	Y36-S100 PolarHBondContact OH-O 2.94Å
101	G	85.2	Confident	93	Very high	49 Å²	49	59.7 Å²	59.7	51%	0.505	32%	0.32	S	S	.	.	S	Bend	trans	98.7	-12.8	175.8	0	0	0	0	0	116
102	I	88.3	Confident	92.9	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.031	32%	0.319	C	S	.	.			trans	-117.1	113.1	178.5	-52.9	172.5	0	0	0	109.3	Y36 V37 T40 Y99 L104 L106	Y36-I102 HydrophobicContact CD1-CD1 4.15Å; Y36-I102 HydrophobicContact CD1-CG1 3.89Å; Y36-I102 HydrophobicContact CE1-CD1 4.22Å; Y36-I102 HydrophobicContact CE1-CG1 3.67Å; V37-I102 HydrophobicContact CG2-CD1 4.15Å; T40-I102 HydrophobicContact CG2-CD1 4.09Å; Y99-I102 HydrophobicContact CD2-CB 4.01Å; Y99-I102 HydrophobicContact CD2-CD1 4.49Å; Y99-I102 HydrophobicContact CE2-CB 3.88Å; Y99-I102 HydrophobicContact CE2-CG2 4.41Å; I102-L104 HydrophobicContact CG2-CB 3.96Å; I102-L104 HydrophobicContact CG2-CG 4.46Å; I102-L104 PolarHBondContact O-N 3.33Å; I102-L104 VanDerWaalsContact O-N 3.16Å; I102-L106 HydrophobicContact CD1-CD1 4.3Å; I102-L106 HydrophobicContact CD1-CD2 4.43Å; I102-L106 HydrophobicContact CG2-CD2 4.26Å
103	P	87.9	Confident	92.7	Very high	101 Å²	101	59.7 Å²	59.7	66%	0.656	32%	0.32	S	S	*	.			trans	-81.5	20.2	179.4	35.3	-36.1	0	0	0	113.4	P31	P31-P103 VanDerWaalsContact CB-CD 3.43Å; P31-P103 HydrophobicContact CB-CG 4.01Å; P31-P103 HydrophobicContact CG-CG 4.31Å
104	L	90.4	Very high	92.5	Very high	105 Å²	105	59.2 Å²	59.2	55%	0.55	32%	0.323	S	S	.	.	S	Bend	trans	-119	152.4	-176.1	-60.9	174.2	0	0	0	110.5	Y99 I102	Y99-L104 PolarHBondContact OH-O 2.89Å; I102-L104 HydrophobicContact CG2-CB 3.96Å; I102-L104 HydrophobicContact CG2-CG 4.46Å; I102-L104 PolarHBondContact O-N 3.33Å; I102-L104 VanDerWaalsContact O-N 3.16Å
105	N	93.1	Very high	92.4	Very high	81 Å²	81	64.4 Å²	64.4	43%	0.433	35%	0.347	S	S	.	.			trans	-83	116.1	170.4	-60.8	-33.2	0	0	0	109.2	T107 R142 L143 H144	N105-T107 PolarHBondContact O-N 2.99Å; N105-R142 HydrophobicContact CB-CG 4.14Å; N105-L143 CarbonylContact C-O 3.12Å; N105-L143 WeakPolarHBondContact CA-O 3.24Å; N105-H144 PolarHBondContact ND2-CE1 2.97Å; N105-H144 PolarHBondContact ND2-ND1 2.83Å; N105-H144 PolarHBondContact OD1-ND1 3.36Å
106	L	92.4	Very high	92.5	Very high	17 Å²	17	59.5 Å²	59.5	9%	0.089	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	107.2	-177.4	-62.5	177.6	0	0	0	109.6	V37 V41 Y99 I102 L108 R142 L143	V37-L106 HydrophobicContact CG1-CD2 3.99Å; V41-L106 HydrophobicContact CG2-CD1 4.4Å; Y99-L106 HydrophobicContact CD1-CD1 4.3Å; Y99-L106 HydrophobicContact CD2-CD1 4.43Å; Y99-L106 HydrophobicContact CE1-CD1 3.99Å; Y99-L106 HydrophobicContact CE1-CG 4.3Å; Y99-L106 HydrophobicContact CE2-CD1 4.13Å; Y99-L106 HydrophobicContact CE2-CG 4.23Å; Y99-L106 PolarHBondContact OH-N 2.93Å; I102-L106 HydrophobicContact CD1-CD1 4.3Å; I102-L106 HydrophobicContact CD1-CD2 4.43Å; I102-L106 HydrophobicContact CG2-CD2 4.26Å; L106-L108 HydrophobicContact CB-CD2 4.38Å; L106-L108 PolarHBondContact O-N 3.03Å; L106-R142 WeakPolarHBondContact O-CA 3.23Å; L106-L143 HydrophobicContact CB-CB 4.44Å; L106-L143 PolarHBondContact N-O 2.97Å; L106-L143 PolarHBondContact O-N 3.25Å
107	T	94.5	Very high	92.6	Very high	87 Å²	87	56 Å²	56	53%	0.534	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	107.2	170.1	-57.4	0	0	0	0	108.1	N105 R142	N105-T107 PolarHBondContact O-N 2.99Å; T107-R142 PolarHBondContact OG1-NE 2.95Å
108	L	92.9	Very high	92.7	Very high	37 Å²	37	58.2 Å²	58.2	19%	0.194	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	161	-176.4	-60.7	180	0	0	0	111	V41 L106 V112 I141 L143	V41-L108 HydrophobicContact CG2-CD2 4.09Å; L106-L108 HydrophobicContact CB-CD2 4.38Å; L106-L108 PolarHBondContact O-N 3.03Å; L108-V112 HydrophobicContact CB-CG1 3.75Å; L108-V112 HydrophobicContact CD1-CG1 3.97Å; L108-V112 HydrophobicContact CD1-CG2 4.19Å; L108-I141 HydrophobicContact CB-CG2 4.44Å; L108-I141 HydrophobicContact CD1-CG2 4.45Å; L108-I141 PolarHBondContact N-O 3.49Å; L108-L143 HydrophobicContact CD1-CD1 3.55Å; L108-L143 HydrophobicContact CD1-CG 4.03Å
109	D	93.7	Very high	92.8	Very high	79 Å²	79	55.5 Å²	55.5	42%	0.422	31%	0.308	S	S	.	.			trans	-67.6	150.7	175.4	-172.8	28.7	0	0	0	111.9	R111 V112	D109-R111 PolarHBondContact O-N 3.49Å; D109-R111 IonicContact OD2-CZ 3.13Å; D109-R111 IonicContact OD2-NE 2.71Å; D109-R111 PolarHBondContact OD2-NE 3.24Å; D109-R111 IonicContact OD2-NH2 2.72Å; D109-R111 PolarHBondContact OD2-NH2 3.13Å; D109-V112 VanDerWaalsContact O-CG1 3.28Å; D109-V112 WeakPolarHBondContact O-CG1 3.07Å; D109-V112 PolarHBondContact O-N 3.45Å; D109-V112 VanDerWaalsContact O-N 3.11Å
110	N	93.6	Very high	92.9	Very high	17 Å²	17	57.5 Å²	57.5	9%	0.091	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.9	-172.6	68.2	-1.4	0	0	0	114.8	V112 A113 K137 R139	N110-V112 VanDerWaalsContact C-N 3.34Å; N110-A113 WeakPolarHBondContact O-CB 2.93Å; N110-K137 PolarHBondContact ND2-O 3.23Å; N110-R139 HydrophobicContact CB-CB 4.19Å; N110-R139 VanDerWaalsContact CB-O 3.29Å; N110-R139 WeakPolarHBondContact CB-O 3.44Å; N110-R139 PolarHBondContact O-NH2 2.9Å
111	R	93.6	Very high	93.2	Very high	179 Å²	179	55 Å²	55	68%	0.675	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-25.4	177.7	-70.1	177.8	-71.4	179	-0.2	112.4	D109 A113 D114	D109-R111 PolarHBondContact O-N 3.49Å; D109-R111 IonicContact OD2-CZ 3.13Å; D109-R111 IonicContact OD2-NE 2.71Å; D109-R111 PolarHBondContact OD2-NE 3.24Å; D109-R111 IonicContact OD2-NH2 2.72Å; D109-R111 PolarHBondContact OD2-NH2 3.13Å; R111-A113 PolarHBondContact O-N 3.21Å; R111-D114 PolarHBondContact O-N 3.07Å
112	V	93.8	Very high	93.8	Very high	20 Å²	20	55.9 Å²	55.9	12%	0.121	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-65.4	-25.1	177.6	81.5	0	0	0	0	111.8	L45 L108 D109 N110 D114 Q115 L116 I141	L45-V112 HydrophobicContact CD1-CG2 4.34Å; L45-V112 HydrophobicContact CD2-CG2 4.47Å; L108-V112 HydrophobicContact CB-CG1 3.75Å; L108-V112 HydrophobicContact CD1-CG1 3.97Å; L108-V112 HydrophobicContact CD1-CG2 4.19Å; D109-V112 VanDerWaalsContact O-CG1 3.28Å; D109-V112 WeakPolarHBondContact O-CG1 3.07Å; D109-V112 PolarHBondContact O-N 3.45Å; D109-V112 VanDerWaalsContact O-N 3.11Å; N110-V112 VanDerWaalsContact C-N 3.34Å; V112-D114 PolarHBondContact O-N 3.15Å; V112-D114 VanDerWaalsContact O-N 3.17Å; V112-Q115 PolarHBondContact O-N 3.37Å; V112-L116 HydrophobicContact CG1-CD1 4.19Å; V112-L116 HydrophobicContact CG2-CD1 4.32Å; V112-L116 HydrophobicContact CG2-CG 4.42Å; V112-L116 WeakPolarHBondContact O-CG 3.31Å; V112-L116 PolarHBondContact O-N 3.05Å; V112-I141 HydrophobicContact CG1-CB 3.83Å; V112-I141 HydrophobicContact CG1-CG1 3.87Å; V112-I141 HydrophobicContact CG1-CG2 3.86Å
113	A	93.9	Very high	94.2	Very high	5 Å²	5	56.7 Å²	56.7	4%	0.041	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-59	-28.9	178.7	0	0	0	0	0	112.6	N110 R111 Q115 L116 I141 Y151	N110-A113 WeakPolarHBondContact O-CB 2.93Å; R111-A113 PolarHBondContact O-N 3.21Å; A113-Q115 PolarHBondContact O-N 3.26Å; A113-L116 PolarHBondContact O-N 3.47Å; A113-I141 HydrophobicContact CB-CD1 4Å; A113-I141 HydrophobicContact CB-CG1 3.83Å; A113-Y151 HydrophobicContact CB-CE2 4.19Å
114	D	93.5	Very high	94.6	Very high	102 Å²	102	55.2 Å²	55.2	55%	0.545	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-76.8	-9.4	178.5	-57.1	-39.3	0	0	0	112.5	R111 V112 R139	R111-D114 PolarHBondContact O-N 3.07Å; V112-D114 PolarHBondContact O-N 3.15Å; V112-D114 VanDerWaalsContact O-N 3.17Å; D114-R139 VanDerWaalsContact CG-NH2 3.27Å; D114-R139 IonicContact OD1-CZ 2.84Å; D114-R139 VanDerWaalsContact OD1-CZ 3.31Å; D114-R139 IonicContact OD1-NH1 2.75Å; D114-R139 PolarHBondContact OD1-NH1 2.99Å; D114-R139 IonicContact OD1-NH2 3.34Å; D114-R139 PolarHBondContact OD1-NH2 3.44Å; D114-R139 IonicContact OD2-CZ 2.76Å; D114-R139 IonicContact OD2-NH1 2.67Å; D114-R139 IonicContact OD2-NH2 3.11Å; D114-R139 PolarHBondContact OD2-NH2 3.47Å
115	Q	94	Very high	94.8	Very high	110 Å²	110	51.8 Å²	51.8	51%	0.514	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-110.1	4.3	176.9	-59.8	-179	1.5	0	0	112.6	I50 V112 A113	I50-Q115 VanDerWaalsContact CG2-C 3.49Å; I50-Q115 WeakPolarHBondContact CG2-O 3.27Å; V112-Q115 PolarHBondContact O-N 3.37Å; A113-Q115 PolarHBondContact O-N 3.26Å
116	L	95.5	Very high	94.9	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.068	25%	0.252	C	S	.	.	S	Bend	trans	-115.3	158	179.1	-65.8	179	0	0	0	110.1	L45 Y48 L97 V112 A113 I141	L45-L116 HydrophobicContact CD2-CD2 3.92Å; Y48-L116 HydrophobicContact CD1-CD2 4.39Å; Y48-L116 HydrophobicContact CE1-CD2 4.06Å; L97-L116 HydrophobicContact CD1-CD1 4.43Å; L97-L116 HydrophobicContact CD1-CD2 3.91Å; L97-L116 HydrophobicContact CD2-CD2 3.78Å; V112-L116 HydrophobicContact CG1-CD1 4.19Å; V112-L116 HydrophobicContact CG2-CD1 4.32Å; V112-L116 HydrophobicContact CG2-CG 4.42Å; V112-L116 WeakPolarHBondContact O-CG 3.31Å; V112-L116 PolarHBondContact O-N 3.05Å; A113-L116 PolarHBondContact O-N 3.47Å; L116-I141 HydrophobicContact CD1-CG2 4.04Å
117	W	96.7	Very high	95.1	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.038	27%	0.271	C	S	.	.			trans	-77.2	131.2	169	177.8	90.3	0	0	0	107.7	Y48 R53 P54 V61 W92 P119 Y184 I189	Y48-W117 VanDerWaalsContact OH-CB 3.28Å; Y48-W117 WeakPolarHBondContact OH-CB 3.29Å; Y48-W117 PolarHBondContact OH-N 3.08Å; Y48-W117 VanDerWaalsContact OH-N 3.1Å; R53-W117 HydrophobicContact CB-CH2 4.41Å; R53-W117 HydrophobicContact CB-CZ2 3.71Å; P54-W117 VanDerWaalsContact CD-CE3 3.46Å; P54-W117 HydrophobicContact CG-CE3 3.99Å; P54-W117 HydrophobicContact CG-CZ3 4.1Å; V61-W117 HydrophobicContact CG1-CH2 3.74Å; V61-W117 HydrophobicContact CG1-CZ3 4.41Å; W92-W117 HydrophobicContact CD2-CZ3 4.42Å; W92-W117 HydrophobicContact CG-CZ3 4.36Å; W92-W117 VanDerWaalsContact CZ2-O 3.25Å; W92-W117 WeakPolarHBondContact CZ2-O 3.29Å; W92-W117 AromaticContact NE1-CE3 3.91Å; W92-W117 AromaticContact NE1-CZ3 3.94Å; W117-P119 HydrophobicContact CH2-CB 3.96Å; W117-P119 HydrophobicContact CZ2-CB 4.47Å; W117-P119 HydrophobicContact CZ3-CB 4.43Å; W117-Y184 HydrophobicContact CZ2-CD2 4.37Å; W117-Y184 AromaticContact CZ2-CE2 3.82Å; W117-Y184 HydrophobicContact CZ2-CE2 3.82Å; W117-Y184 AromaticContact NE1-CE2 3.87Å; W117-Y184 AromaticContact NE1-CZ 3.72Å; W117-Y184 PolarHBondContact NE1-OH 2.97Å; W117-I189 HydrophobicContact CH2-CD1 4.39Å
118	V	96.2	Very high	95.2	Very high	48 Å²	48	57.9 Å²	57.9	29%	0.291	28%	0.278	S	S	.	.			trans	-127.9	144.4	173.2	-62.5	0	0	0	0	107.8	W92 Y151	W92-V118 HydrophobicContact CH2-CB 4.4Å; W92-V118 HydrophobicContact CH2-CG1 4.06Å; W92-V118 HydrophobicContact CZ2-CG1 4.49Å; V118-Y151 HydrophobicContact CB-CE1 4.37Å; V118-Y151 HydrophobicContact CG1-CD1 4.44Å; V118-Y151 HydrophobicContact CG1-CE1 4.31Å
119	P	96.7	Very high	95.3	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.039	29%	0.286	C	S	.	.			trans	-67.2	143.7	179.4	30.6	-36.4	0	0	0	110.4	V63 W92 W117 T121 I189	V63-P119 HydrophobicContact CG1-CG 4.2Å; V63-P119 HydrophobicContact CG2-CB 4.44Å; W92-P119 HydrophobicContact CE3-CG 4.42Å; W92-P119 HydrophobicContact CZ3-CG 4.33Å; W117-P119 HydrophobicContact CH2-CB 3.96Å; W117-P119 HydrophobicContact CZ2-CB 4.47Å; W117-P119 HydrophobicContact CZ3-CB 4.43Å; P119-T121 HydrophobicContact CB-CG2 4.16Å; P119-T121 HydrophobicContact CG-CG2 4.22Å; P119-T121 PolarHBondContact O-N 3.38Å; P119-I189 HydrophobicContact CB-CD1 3.77Å
120	D	95.4	Very high	95.5	Very high	53 Å²	53	59.7 Å²	59.7	28%	0.283	29%	0.287	S	S	.	.			trans	-84.4	52.2	-176.5	61.9	-14.6	0	0	0	112	Y122 S181 Y182 G183 Y184	D120-Y122 PolarHBondContact O-N 3.04Å; D120-S181 PolarHBondContact OD1-OG 2.83Å; D120-Y182 PolarHBondContact O-N 3.47Å; D120-G183 WeakPolarHBondContact OD2-CA 3.34Å; D120-G183 PolarHBondContact OD2-N 3.45Å; D120-Y184 VanDerWaalsContact OD1-CD2 3.31Å; D120-Y184 WeakPolarHBondContact OD1-CD2 3.42Å
121	T	96.8	Very high	95.6	Very high	30 Å²	30	61.9 Å²	61.9	18%	0.184	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.2	-179.8	60.2	0	0	0	0	111	M65 Q90 P119 E180 F191	M65-T121 HydrophobicContact CE-CG2 3.56Å; Q90-T121 VanDerWaalsContact NE2-CG2 3.27Å; Q90-T121 PolarHBondContact NE2-OG1 3.35Å; P119-T121 HydrophobicContact CB-CG2 4.16Å; P119-T121 HydrophobicContact CG-CG2 4.22Å; P119-T121 PolarHBondContact O-N 3.38Å; T121-E180 CarbonylContact C-O 3.49Å; T121-E180 WeakPolarHBondContact CA-O 3.19Å; T121-F191 HydrophobicContact CG2-CE1 4.2Å; T121-F191 HydrophobicContact CG2-CE2 4.48Å; T121-F191 HydrophobicContact CG2-CZ 3.73Å
122	Y	96.8	Very high	95.8	Very high	68 Å²	68	55 Å²	55	27%	0.267	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	164.1	174.3	76.6	-74.8	0	0	0	111.1	D120 L124 E180 Y182	D120-Y122 PolarHBondContact O-N 3.04Å; Y122-L124 HydrophobicContact CE2-CB 4.44Å; Y122-L124 HydrophobicContact CE2-CD1 4.05Å; Y122-E180 HydrophobicContact CD1-CB 4.35Å; Y122-E180 WeakPolarHBondContact CD1-O 3.27Å; Y122-E180 HydrophobicContact CE1-CB 3.71Å; Y122-E180 HydrophobicContact CE1-CG 3.87Å; Y122-E180 PolarHBondContact N-O 3.29Å; Y122-E180 PolarHBondContact O-N 2.94Å; Y122-E180 PolarHBondContact OH-OE2 3.18Å; Y122-Y182 HydrophobicContact CD1-CD2 4.12Å; Y122-Y182 HydrophobicContact CD1-CG 4.42Å; Y122-Y182 AromaticContact CE1-CD2 3.98Å; Y122-Y182 HydrophobicContact CE1-CD2 3.98Å; Y122-Y182 HydrophobicContact CE1-CG 4.46Å
123	F	97	Very high	95.8	Very high	22 Å²	22	56.1 Å²	56.1	10%	0.096	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.2	176.4	-58	-62.7	0	0	0	109	M86 F88 N125 D126 I155 L177 E178 I179	M86-F123 HydrophobicContact CE-CE1 3.64Å; M86-F123 HydrophobicContact CE-CE2 4.02Å; M86-F123 HydrophobicContact CE-CZ 3.3Å; F88-F123 HydrophobicContact CD1-CZ 4.35Å; F88-F123 HydrophobicContact CE1-CZ 4.29Å; F123-N125 VanDerWaalsContact C-N 3.33Å; F123-N125 PolarHBondContact O-N 3.49Å; F123-D126 HydrophobicContact CB-CB 3.79Å; F123-D126 WeakPolarHBondContact O-CB 3.44Å; F123-D126 PolarHBondContact O-N 3Å; F123-I155 HydrophobicContact CE2-CD1 3.91Å; F123-I155 HydrophobicContact CE2-CG2 4.23Å; F123-I155 HydrophobicContact CZ-CD1 4.09Å; F123-L177 HydrophobicContact CB-CD1 4.45Å; F123-L177 HydrophobicContact CD1-CD1 3.88Å; F123-L177 HydrophobicContact CD1-CD2 4.49Å; F123-L177 HydrophobicContact CD1-CG 4.21Å; F123-L177 HydrophobicContact CE1-CD1 4.49Å; F123-L177 HydrophobicContact CE1-CD2 4.38Å; F123-L177 HydrophobicContact CG-CD1 4.26Å; F123-E178 CarbonylContact C-O 3.52Å; F123-E178 VanDerWaalsContact CA-O 3.28Å; F123-E178 WeakPolarHBondContact CA-O 3.5Å; F123-I179 HydrophobicContact CD1-CB 4.5Å; F123-I179 HydrophobicContact CD1-CG1 3.9Å; F123-I179 HydrophobicContact CD1-CG2 4.46Å; F123-I179 HydrophobicContact CE1-CD1 4.25Å; F123-I179 HydrophobicContact CE1-CG1 3.86Å; F123-I179 HydrophobicContact CE1-CG2 4.26Å
124	L	95.6	Very high	95.8	Very high	70 Å²	70	61.9 Å²	61.9	37%	0.366	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-38.5	-176	-175.6	68.2	0	0	0	112.2	Y122 D126 E178	Y122-L124 HydrophobicContact CE2-CB 4.44Å; Y122-L124 HydrophobicContact CE2-CD1 4.05Å; L124-D126 VanDerWaalsContact C-N 3.26Å; L124-D126 PolarHBondContact O-N 3.12Å; L124-E178 HydrophobicContact CB-CB 4.01Å; L124-E178 VanDerWaalsContact CD2-OE2 3.26Å; L124-E178 WeakPolarHBondContact CD2-OE2 3.38Å; L124-E178 PolarHBondContact N-O 2.9Å
125	N	94.8	Very high	95.8	Very high	34 Å²	34	63.6 Å²	63.6	18%	0.182	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.3	-176.1	-63.1	-3.9	0	0	0	112.7	F123 K127 A159 A160 T176	F123-N125 VanDerWaalsContact C-N 3.33Å; F123-N125 PolarHBondContact O-N 3.49Å; N125-K127 PolarHBondContact O-N 2.7Å; N125-A159 HydrophobicContact CB-CB 4.22Å; N125-A159 CarbonylContact O-C 3.48Å; N125-A159 VanDerWaalsContact O-CA 3.29Å; N125-A159 WeakPolarHBondContact O-CA 3.48Å; N125-A160 PolarHBondContact O-N 3.31Å; N125-T176 PolarHBondContact ND2-O 2.77Å; N125-T176 PolarHBondContact ND2-OG1 2.85Å; N125-T176 VanDerWaalsContact ND2-OG1 3.16Å
126	D	95.8	Very high	95.8	Very high	48 Å²	48	62.2 Å²	62.2	26%	0.257	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.6	-174.3	-176.1	40.6	0	0	0	112	F123 L124 K128 S129 T157	F123-D126 HydrophobicContact CB-CB 3.79Å; F123-D126 WeakPolarHBondContact O-CB 3.44Å; F123-D126 PolarHBondContact O-N 3Å; L124-D126 VanDerWaalsContact C-N 3.26Å; L124-D126 PolarHBondContact O-N 3.12Å; D126-K128 PolarHBondContact OD1-N 3.23Å; D126-S129 WeakPolarHBondContact OD1-CB 3.43Å; D126-S129 PolarHBondContact OD1-N 2.85Å; D126-S129 WeakPolarHBondContact OD2-CB 3.32Å; D126-S129 PolarHBondContact OD2-N 3.3Å; D126-S129 PolarHBondContact OD2-OG 2.99Å; D126-T157 PolarHBondContact OD1-OG1 3.12Å
127	K	95.9	Very high	95.8	Very high	112 Å²	112	67.9 Å²	67.9	49%	0.487	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-36.6	167.3	-67.2	-174.9	-177.6	174.3	0	111.3	N79 D81 N125 T158 A160	N79-K127 PolarHBondContact O-NZ 3.49Å; D81-K127 HydrophobicContact CB-CD 4.34Å; D81-K127 IonicContact OD2-NZ 3.81Å; D81-K127 PolarHBondContact OD2-NZ 3.28Å; N125-K127 PolarHBondContact O-N 2.7Å; K127-T158 PolarHBondContact N-O 3.2Å; K127-A160 HydrophobicContact CG-CB 4.3Å
128	K	96.3	Very high	95.7	Very high	153 Å²	153	69.7 Å²	69.7	67%	0.665	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.9	118.4	-177.2	-175.6	176.8	-179.3	179.1	0	109.1	D126 T158	D126-K128 PolarHBondContact OD1-N 3.23Å; K128-T158 PolarHBondContact O-N 3.19Å
129	S	96.3	Very high	95.7	Very high	52 Å²	52	69.5 Å²	69.5	36%	0.364	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.2	171.6	58.5	0	0	0	0	111.7	D126 T156	D126-S129 WeakPolarHBondContact OD1-CB 3.43Å; D126-S129 PolarHBondContact OD1-N 2.85Å; D126-S129 WeakPolarHBondContact OD2-CB 3.32Å; D126-S129 PolarHBondContact OD2-N 3.3Å; D126-S129 PolarHBondContact OD2-OG 2.99Å; S129-T156 CarbonylContact C-O 3.57Å; S129-T156 VanDerWaalsContact CA-O 3.24Å; S129-T156 WeakPolarHBondContact CA-O 3.39Å
130	F	97	Very high	95.6	Very high	102 Å²	102	71.8 Å²	71.8	45%	0.447	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.9	171.9	63.7	-86.2	0	0	0	110.9	H132 T156	F130-H132 AromaticContact CE2-CE1 3.62Å; F130-H132 AromaticContact CE2-ND1 3.99Å; F130-H132 AromaticContact CE2-NE2 3.77Å; F130-T156 HydrophobicContact CE1-CG2 3.75Å; F130-T156 HydrophobicContact CZ-CG2 3.88Å; F130-T156 PolarHBondContact N-O 3.29Å; F130-T156 PolarHBondContact O-N 3.37Å; F130-T156 VanDerWaalsContact O-N 3.07Å
131	V	96.9	Very high	95.7	Very high	63 Å²	63	69.2 Å²	69.2	38%	0.382	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.7	169.7	-178.5	0	0	0	0	108	L153 I155	V131-L153 HydrophobicContact CG1-CD2 4.41Å; V131-I155 HydrophobicContact CG2-CG1 4.42Å
132	H	96.4	Very high	95.7	Very high	35 Å²	35	72 Å²	72	16%	0.162	37%	0.372	C	S	.	.			trans	-63.3	139.5	178.1	-72.8	-95.8	0	0	0	111.1	F130 N138 R154 T156	F130-H132 AromaticContact CE2-CE1 3.62Å; F130-H132 AromaticContact CE2-ND1 3.99Å; F130-H132 AromaticContact CE2-NE2 3.77Å; H132-N138 HydrophobicContact CB-CB 4.22Å; H132-N138 WeakPolarHBondContact O-CB 3.46Å; H132-N138 PolarHBondContact O-N 3.44Å; H132-N138 PolarHBondContact O-OD1 3.47Å; H132-R154 HydrophobicContact CB-CG 4.5Å; H132-R154 PolarHBondContact CD2-O 3.44Å; H132-R154 PolarHBondContact CE1-NH1 2.89Å; H132-R154 PolarHBondContact N-O 3.4Å; H132-R154 VanDerWaalsContact N-O 3.12Å; H132-R154 PolarHBondContact ND1-NH1 3.35Å; H132-T156 PolarHBondContact NE2-OG1 2.87Å
133	G	94.4	Very high	95.6	Very high	42 Å²	42	69 Å²	69	43%	0.433	36%	0.36	S	S	.	.			trans	-125.5	20.8	-170.6	0	0	0	0	0	115.3	T135 V136	G133-T135 CarbonylContact O-C 3.58Å; G133-V136 CarbonylContact C-O 3.59Å; G133-V136 WeakPolarHBondContact CA-O 3.39Å
134	V	93	Very high	95.6	Very high	127 Å²	127	70.2 Å²	70.2	77%	0.77	37%	0.366	S	S	*	.	S	Bend	trans	-118.2	121	-173.4	-177.5	0	0	0	0	109.4	V136 N138	V134-V136 PolarHBondContact N-O 3.17Å; V134-N138 PolarHBondContact O-OD1 3.48Å
135	T	94	Very high	95.5	Very high	137 Å²	137	69.4 Å²	69.4	84%	0.84	37%	0.365	S	S	*	.	S	Bend	cis	-79.4	-14.6	-7.8	49.5	0	0	0	0	113.8	G133	G133-T135 CarbonylContact O-C 3.58Å
136	V	94.8	Very high	95.5	Very high	82 Å²	82	71.4 Å²	71.4	50%	0.497	38%	0.376	S	S	.	.	S	Bend	trans	-129.7	168.3	175.2	-64.9	0	0	0	0	108.7	G133 V134 N138	G133-V136 CarbonylContact C-O 3.59Å; G133-V136 WeakPolarHBondContact CA-O 3.39Å; V134-V136 PolarHBondContact N-O 3.17Å; V136-N138 PolarHBondContact O-N 3.32Å; V136-N138 VanDerWaalsContact O-N 3.13Å; V136-N138 PolarHBondContact O-OD1 3.08Å
137	K	95.1	Very high	95.4	Very high	132 Å²	132	69.2 Å²	69.2	57%	0.574	36%	0.364	S	S	*	.			trans	-58	119.9	170.4	-70.6	-174	178	-179.8	0	109.7	N110 R139	N110-K137 PolarHBondContact ND2-O 3.23Å; K137-R139 HydrophobicContact CB-CG 4.36Å; K137-R139 PolarHBondContact O-N 3.46Å
138	N	95.1	Very high	95.4	Very high	47 Å²	47	65.2 Å²	65.2	25%	0.251	35%	0.349	S	S	.	.			trans	-73.4	74.5	-175.6	-67.4	39.2	0	0	0	110.4	H132 V134 V136 R154	H132-N138 HydrophobicContact CB-CB 4.22Å; H132-N138 WeakPolarHBondContact O-CB 3.46Å; H132-N138 PolarHBondContact O-N 3.44Å; H132-N138 PolarHBondContact O-OD1 3.47Å; V134-N138 PolarHBondContact O-OD1 3.48Å; V136-N138 PolarHBondContact O-N 3.32Å; V136-N138 VanDerWaalsContact O-N 3.13Å; V136-N138 PolarHBondContact O-OD1 3.08Å; N138-R154 HydrophobicContact CB-CB 3.77Å; N138-R154 PolarHBondContact O-N 3.43Å; N138-R154 VanDerWaalsContact O-N 3.15Å
139	R	96.3	Very high	95.4	Very high	44 Å²	44	57.9 Å²	57.9	17%	0.166	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.3	172.2	-41.4	-171.9	-73.2	-170.3	-4.8	108.7	N110 D114 K137 Y151 G152 L153	N110-R139 HydrophobicContact CB-CB 4.19Å; N110-R139 VanDerWaalsContact CB-O 3.29Å; N110-R139 WeakPolarHBondContact CB-O 3.44Å; N110-R139 PolarHBondContact O-NH2 2.9Å; D114-R139 VanDerWaalsContact CG-NH2 3.27Å; D114-R139 IonicContact OD1-CZ 2.84Å; D114-R139 VanDerWaalsContact OD1-CZ 3.31Å; D114-R139 IonicContact OD1-NH1 2.75Å; D114-R139 PolarHBondContact OD1-NH1 2.99Å; D114-R139 IonicContact OD1-NH2 3.34Å; D114-R139 PolarHBondContact OD1-NH2 3.44Å; D114-R139 IonicContact OD2-CZ 2.76Å; D114-R139 IonicContact OD2-NH1 2.67Å; D114-R139 IonicContact OD2-NH2 3.11Å; D114-R139 PolarHBondContact OD2-NH2 3.47Å; K137-R139 HydrophobicContact CB-CG 4.36Å; K137-R139 PolarHBondContact O-N 3.46Å; R139-Y151 HydrophobicContact CB-CE2 4.15Å; R139-G152 CarbonylContact C-O 3.54Å; R139-G152 WeakPolarHBondContact CA-O 3.12Å; R139-L153 HydrophobicContact CB-CD2 3.94Å; R139-L153 HydrophobicContact CG-CD2 3.47Å; R139-L153 VanDerWaalsContact CG-CD2 3.47Å
140	M	95	Very high	95.5	Very high	54 Å²	54	56.6 Å²	56.6	27%	0.266	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.8	171.9	60.9	170.9	-70.1	0	0	110.1	R142 L150 Y151 G152	M140-R142 HydrophobicContact CE-CB 4.27Å; M140-L150 HydrophobicContact CE-CD2 3.75Å; M140-L150 HydrophobicContact CE-CG 4.31Å; M140-Y151 WeakPolarHBondContact O-CA 3.32Å; M140-Y151 WeakPolarHBondContact O-CD2 3.15Å; M140-G152 PolarHBondContact N-O 3.47Å; M140-G152 PolarHBondContact O-N 3.02Å
141	I	96.3	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.2	170.1	-64.9	-71.3	0	0	0	107.1	L108 V112 A113 L116 L143 L150 Y151	L108-I141 HydrophobicContact CB-CG2 4.44Å; L108-I141 HydrophobicContact CD1-CG2 4.45Å; L108-I141 PolarHBondContact N-O 3.49Å; V112-I141 HydrophobicContact CG1-CB 3.83Å; V112-I141 HydrophobicContact CG1-CG1 3.87Å; V112-I141 HydrophobicContact CG1-CG2 3.86Å; A113-I141 HydrophobicContact CB-CD1 4Å; A113-I141 HydrophobicContact CB-CG1 3.83Å; L116-I141 HydrophobicContact CD1-CG2 4.04Å; I141-L143 HydrophobicContact CG2-CD2 4.18Å; I141-L143 HydrophobicContact CG2-CG 4.32Å; I141-L150 WeakPolarHBondContact CA-O 3.47Å; I141-Y151 HydrophobicContact CD1-CD2 3.42Å; I141-Y151 VanDerWaalsContact CD1-CD2 3.42Å; I141-Y151 HydrophobicContact CD1-CE2 4.11Å; I141-Y151 HydrophobicContact CD1-CG 4.18Å; I141-Y151 HydrophobicContact CG1-CD2 4.34Å
142	R	96.4	Very high	95.5	Very high	88 Å²	88	50 Å²	50	33%	0.332	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.1	171.5	177	-179.2	-63.4	152.6	2	108.7	N105 L106 T107 M140 L150	N105-R142 HydrophobicContact CB-CG 4.14Å; L106-R142 WeakPolarHBondContact O-CA 3.23Å; T107-R142 PolarHBondContact OG1-NE 2.95Å; M140-R142 HydrophobicContact CE-CB 4.27Å; R142-L150 HydrophobicContact CB-CB 4.2Å; R142-L150 HydrophobicContact CB-CD2 4.45Å; R142-L150 PolarHBondContact N-O 3.26Å; R142-L150 PolarHBondContact O-N 2.88Å
143	L	95.8	Very high	95.5	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.4	175	-58.5	-178.8	0	0	0	109.4	L44 L97 Y99 N105 L106 L108 I141 V149	L44-L143 HydrophobicContact CD1-CD1 4.34Å; L97-L143 HydrophobicContact CB-CD2 4.45Å; L97-L143 HydrophobicContact CD1-CD2 4.14Å; Y99-L143 HydrophobicContact CE1-CB 4.02Å; Y99-L143 PolarHBondContact OH-O 3.46Å; N105-L143 CarbonylContact C-O 3.12Å; N105-L143 WeakPolarHBondContact CA-O 3.24Å; L106-L143 HydrophobicContact CB-CB 4.44Å; L106-L143 PolarHBondContact N-O 2.97Å; L106-L143 PolarHBondContact O-N 3.25Å; L108-L143 HydrophobicContact CD1-CD1 3.55Å; L108-L143 HydrophobicContact CD1-CG 4.03Å; I141-L143 HydrophobicContact CG2-CD2 4.18Å; I141-L143 HydrophobicContact CG2-CG 4.32Å; L143-V149 HydrophobicContact CD2-CB 4.26Å; L143-V149 HydrophobicContact CD2-CG1 4Å; L143-V149 HydrophobicContact CD2-CG2 3.7Å
144	H	95.7	Very high	95.7	Very high	47 Å²	47	50.6 Å²	50.6	22%	0.218	26%	0.262	C	S	.	.			trans	-103.7	152.7	170.7	-69	-88.5	0	0	0	109.7	Y99 N105 D146 G147 T148	Y99-H144 VanDerWaalsContact CE1-C 3.47Å; Y99-H144 WeakPolarHBondContact CE1-O 3.35Å; N105-H144 PolarHBondContact ND2-CE1 2.97Å; N105-H144 PolarHBondContact ND2-ND1 2.83Å; N105-H144 PolarHBondContact OD1-ND1 3.36Å; H144-D146 WeakPolarHBondContact CB-OD1 3.48Å; H144-D146 PolarHBondContact O-N 2.61Å; H144-D146 VanDerWaalsContact O-N 3.15Å; H144-G147 PolarHBondContact O-N 3.28Å; H144-T148 WeakPolarHBondContact CB-O 3.37Å; H144-T148 PolarHBondContact CD2-O 3.39Å; H144-T148 PolarHBondContact N-O 3.38Å
145	P	94.1	Very high	95.9	Very high	53 Å²	53	45 Å²	45	34%	0.344	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.2	-175.6	23.4	-33.6	0	0	0	113.6	Y99 G147	Y99-P145 HydrophobicContact CD2-CB 4.21Å; Y99-P145 HydrophobicContact CE2-CB 3.76Å; Y99-P145 VanDerWaalsContact CZ-CA 3.48Å; Y99-P145 PolarHBondContact N-O 3.25Å; Y99-P145 WeakPolarHBondContact OH-CD 3.28Å; P145-G147 PolarHBondContact O-N 3.04Å
146	D	94.2	Very high	96	Very high	77 Å²	77	38.9 Å²	38.9	41%	0.412	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.6	176.9	71.6	-30.3	0	0	0	114	K93 H144 T148	K93-D146 VanDerWaalsContact CE-O 3.27Å; K93-D146 WeakPolarHBondContact CE-O 3.43Å; H144-D146 WeakPolarHBondContact CB-OD1 3.48Å; H144-D146 PolarHBondContact O-N 2.61Å; H144-D146 VanDerWaalsContact O-N 3.15Å; D146-T148 VanDerWaalsContact CG-OG1 3.3Å; D146-T148 VanDerWaalsContact OD1-CB 3.3Å; D146-T148 WeakPolarHBondContact OD1-CB 3.34Å; D146-T148 PolarHBondContact OD1-N 3.32Å; D146-T148 PolarHBondContact OD1-OG1 3.32Å; D146-T148 PolarHBondContact OD2-OG1 3.25Å
147	G	94.2	Very high	96.1	Very high	1 Å²	1	35 Å²	35	1%	0.01	17%	0.167	C	C	.	.	S	Bend	trans	89.1	6	-174.4	0	0	0	0	0	114.1	D94 H144 P145 V149	D94-G147 PolarHBondContact N-O 3.16Å; D94-G147 WeakPolarHBondContact O-CA 3.37Å; H144-G147 PolarHBondContact O-N 3.28Å; P145-G147 PolarHBondContact O-N 3.04Å; G147-V149 PolarHBondContact O-N 2.96Å
148	T	96.3	Very high	96.3	Very high	28 Å²	28	30 Å²	30	17%	0.172	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.2	172.9	-61.6	0	0	0	0	110	S91 W92 H144 D146	S91-T148 WeakPolarHBondContact OG-CG2 3.35Å; W92-T148 CarbonylContact O-C 3.48Å; W92-T148 WeakPolarHBondContact O-CA 3.02Å; H144-T148 WeakPolarHBondContact CB-O 3.37Å; H144-T148 PolarHBondContact CD2-O 3.39Å; H144-T148 PolarHBondContact N-O 3.38Å; D146-T148 VanDerWaalsContact CG-OG1 3.3Å; D146-T148 VanDerWaalsContact OD1-CB 3.3Å; D146-T148 WeakPolarHBondContact OD1-CB 3.34Å; D146-T148 PolarHBondContact OD1-N 3.32Å; D146-T148 PolarHBondContact OD1-OG1 3.32Å; D146-T148 PolarHBondContact OD2-OG1 3.25Å
149	V	96.8	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.3	178.5	-174.1	0	0	0	0	108.4	S91 W92 D94 L97 L143 G147	S91-V149 VanDerWaalsContact CA-O 3.32Å; S91-V149 WeakPolarHBondContact CA-O 3.49Å; W92-V149 HydrophobicContact CD2-CB 4.19Å; W92-V149 HydrophobicContact CH2-CB 4.38Å; W92-V149 HydrophobicContact CH2-CG1 3.85Å; W92-V149 HydrophobicContact CZ2-CB 3.85Å; W92-V149 HydrophobicContact CZ2-CG1 3.58Å; W92-V149 HydrophobicContact CZ2-CG2 4.39Å; W92-V149 PolarHBondContact N-O 2.91Å; W92-V149 PolarHBondContact O-N 3.32Å; D94-V149 HydrophobicContact CB-CG2 4.37Å; L97-V149 HydrophobicContact CD1-CG2 3.71Å; L143-V149 HydrophobicContact CD2-CB 4.26Å; L143-V149 HydrophobicContact CD2-CG1 4Å; L143-V149 HydrophobicContact CD2-CG2 3.7Å; G147-V149 PolarHBondContact O-N 2.96Å
150	L	96.8	Very high	96.4	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.131	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.4	168.3	175.3	70.2	0	0	0	109	Q89 Q90 M140 I141 R142	Q89-L150 HydrophobicContact CB-CD1 4.27Å; Q90-L150 WeakPolarHBondContact O-CA 3.21Å; M140-L150 HydrophobicContact CE-CD2 3.75Å; M140-L150 HydrophobicContact CE-CG 4.31Å; I141-L150 WeakPolarHBondContact CA-O 3.47Å; R142-L150 HydrophobicContact CB-CB 4.2Å; R142-L150 HydrophobicContact CB-CD2 4.45Å; R142-L150 PolarHBondContact N-O 3.26Å; R142-L150 PolarHBondContact O-N 2.88Å
151	Y	97.4	Very high	96.5	Very high	21 Å²	21	24.9 Å²	24.9	8%	0.082	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.8	173.6	-179.3	-131.5	0	0	0	109.8	Q89 Q90 W92 A113 V118 R139 M140 I141 L153	Q89-Y151 CarbonylContact C-O 3.58Å; Q89-Y151 WeakPolarHBondContact CA-O 3.4Å; Q90-Y151 PolarHBondContact N-O 3.04Å; Q90-Y151 PolarHBondContact O-N 3.5Å; W92-Y151 HydrophobicContact CH2-CG 4.27Å; W92-Y151 HydrophobicContact CZ3-CD1 4.44Å; W92-Y151 HydrophobicContact CZ3-CG 4.37Å; A113-Y151 HydrophobicContact CB-CE2 4.19Å; V118-Y151 HydrophobicContact CB-CE1 4.37Å; V118-Y151 HydrophobicContact CG1-CD1 4.44Å; V118-Y151 HydrophobicContact CG1-CE1 4.31Å; R139-Y151 HydrophobicContact CB-CE2 4.15Å; M140-Y151 WeakPolarHBondContact O-CA 3.32Å; M140-Y151 WeakPolarHBondContact O-CD2 3.15Å; I141-Y151 HydrophobicContact CD1-CD2 3.42Å; I141-Y151 VanDerWaalsContact CD1-CD2 3.42Å; I141-Y151 HydrophobicContact CD1-CE2 4.11Å; I141-Y151 HydrophobicContact CD1-CG 4.18Å; I141-Y151 HydrophobicContact CG1-CD2 4.34Å; Y151-L153 HydrophobicContact CD1-CD1 4.49Å; Y151-L153 HydrophobicContact CD1-CG 4.45Å; Y151-L153 HydrophobicContact CE1-CD1 3.66Å; Y151-L153 HydrophobicContact CE1-CD2 4.2Å; Y151-L153 HydrophobicContact CE1-CG 3.83Å; Y151-L153 HydrophobicContact CE2-CD2 4.06Å; Y151-L153 HydrophobicContact CE2-CG 4.37Å; Y151-L153 WeakPolarHBondContact OH-CD2 3.41Å
152	G	97	Very high	96.4	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.8	178.3	0	0	0	0	0	111.4	F88 R139 M140	F88-G152 CarbonylContact O-C 3.54Å; F88-G152 WeakPolarHBondContact O-CA 3.3Å; R139-G152 CarbonylContact C-O 3.54Å; R139-G152 WeakPolarHBondContact CA-O 3.12Å; M140-G152 PolarHBondContact N-O 3.47Å; M140-G152 PolarHBondContact O-N 3.02Å
153	L	97.1	Very high	96.2	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.099	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.3	177.3	-69.7	177.1	0	0	0	110	Y87 F88 V131 R139 Y151 I155	Y87-L153 CarbonylContact C-O 3.48Å; Y87-L153 WeakPolarHBondContact CA-O 3.45Å; F88-L153 HydrophobicContact CB-CB 4.43Å; F88-L153 HydrophobicContact CD1-CD1 4.4Å; F88-L153 PolarHBondContact N-O 3.33Å; F88-L153 PolarHBondContact O-N 3.06Å; V131-L153 HydrophobicContact CG1-CD2 4.41Å; R139-L153 HydrophobicContact CB-CD2 3.94Å; R139-L153 HydrophobicContact CG-CD2 3.47Å; R139-L153 VanDerWaalsContact CG-CD2 3.47Å; Y151-L153 HydrophobicContact CD1-CD1 4.49Å; Y151-L153 HydrophobicContact CD1-CG 4.45Å; Y151-L153 HydrophobicContact CE1-CD1 3.66Å; Y151-L153 HydrophobicContact CE1-CD2 4.2Å; Y151-L153 HydrophobicContact CE1-CG 3.83Å; Y151-L153 HydrophobicContact CE2-CD2 4.06Å; Y151-L153 HydrophobicContact CE2-CG 4.37Å; Y151-L153 WeakPolarHBondContact OH-CD2 3.41Å; L153-I155 HydrophobicContact CB-CD1 3.94Å; L153-I155 HydrophobicContact CB-CG1 3.81Å; L153-I155 HydrophobicContact CD1-CD1 3.93Å
154	R	97.5	Very high	96.1	Very high	70 Å²	70	33.1 Å²	33.1	26%	0.264	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.8	163.9	-170.6	-179.2	178.2	-117.3	-3.4	108.9	Y87 H132 N138	Y87-R154 HydrophobicContact CD1-CB 4.11Å; Y87-R154 HydrophobicContact CD1-CG 4.1Å; Y87-R154 HydrophobicContact CE1-CB 4.15Å; Y87-R154 HydrophobicContact CE1-CG 3.89Å; H132-R154 HydrophobicContact CB-CG 4.5Å; H132-R154 PolarHBondContact CD2-O 3.44Å; H132-R154 PolarHBondContact CE1-NH1 2.89Å; H132-R154 PolarHBondContact N-O 3.4Å; H132-R154 VanDerWaalsContact N-O 3.12Å; H132-R154 PolarHBondContact ND1-NH1 3.35Å; N138-R154 HydrophobicContact CB-CB 3.77Å; N138-R154 PolarHBondContact O-N 3.43Å; N138-R154 VanDerWaalsContact O-N 3.15Å
155	I	97.3	Very high	96	Very high	11 Å²	11	31 Å²	31	6%	0.056	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.7	-173.2	-53.3	179	0	0	0	108.9	T85 M86 F88 F123 V131 L153	T85-I155 WeakPolarHBondContact CA-O 3.12Å; M86-I155 PolarHBondContact N-O 2.76Å; M86-I155 PolarHBondContact O-N 2.88Å; F88-I155 HydrophobicContact CB-CD1 4.12Å; F88-I155 HydrophobicContact CD1-CD1 3.97Å; F88-I155 HydrophobicContact CG-CD1 4.41Å; F123-I155 HydrophobicContact CE2-CD1 3.91Å; F123-I155 HydrophobicContact CE2-CG2 4.23Å; F123-I155 HydrophobicContact CZ-CD1 4.09Å; V131-I155 HydrophobicContact CG2-CG1 4.42Å; L153-I155 HydrophobicContact CB-CD1 3.94Å; L153-I155 HydrophobicContact CB-CG1 3.81Å; L153-I155 HydrophobicContact CD1-CD1 3.93Å
156	T	97.6	Very high	95.9	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.5	159.3	-64.9	0	0	0	0	107.8	T83 L84 T85 S129 F130 H132	T83-T156 HydrophobicContact CG2-CG2 3.6Å; L84-T156 CarbonylContact O-C 3.56Å; L84-T156 VanDerWaalsContact O-CA 3.31Å; L84-T156 WeakPolarHBondContact O-CA 3.46Å; T85-T156 WeakPolarHBondContact CG2-OG1 3.37Å; T85-T156 PolarHBondContact OG1-OG1 3.41Å; S129-T156 CarbonylContact C-O 3.57Å; S129-T156 VanDerWaalsContact CA-O 3.24Å; S129-T156 WeakPolarHBondContact CA-O 3.39Å; F130-T156 HydrophobicContact CE1-CG2 3.75Å; F130-T156 HydrophobicContact CZ-CG2 3.88Å; F130-T156 PolarHBondContact N-O 3.29Å; F130-T156 PolarHBondContact O-N 3.37Å; F130-T156 VanDerWaalsContact O-N 3.07Å; H132-T156 PolarHBondContact NE2-OG1 2.87Å
157	T	97.3	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.5	179.3	176	0	0	0	0	109.9	T83 L84 M86 D126 L177	T83-T157 WeakPolarHBondContact CA-O 3.44Å; L84-T157 HydrophobicContact CB-CG2 4.27Å; L84-T157 PolarHBondContact N-O 2.95Å; L84-T157 PolarHBondContact O-N 3.49Å; M86-T157 HydrophobicContact CE-CG2 4.26Å; D126-T157 PolarHBondContact OD1-OG1 3.12Å; T157-L177 HydrophobicContact CG2-CD1 4.24Å
158	T	97.7	Very high	95.9	Very high	29 Å²	29	38.2 Å²	38.2	18%	0.178	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	100.6	167.7	-60.3	0	0	0	0	107.7	D81 Y82 T83 K127 K128	D81-T158 HydrophobicContact CB-CG2 3.89Å; Y82-T158 CarbonylContact O-C 3.57Å; Y82-T158 WeakPolarHBondContact O-CA 3.48Å; T83-T158 PolarHBondContact OG1-OG1 3.4Å; T83-T158 VanDerWaalsContact OG1-OG1 3.1Å; K127-T158 PolarHBondContact N-O 3.2Å; K128-T158 PolarHBondContact O-N 3.19Å
159	A	97.6	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.9	-177.5	0	0	0	0	0	111	D81 Y82 N125 L177	D81-A159 CarbonylContact C-O 3.54Å; D81-A159 VanDerWaalsContact CA-O 3.26Å; D81-A159 WeakPolarHBondContact CA-O 3.36Å; D81-A159 VanDerWaalsContact CB-O 3.28Å; D81-A159 WeakPolarHBondContact CB-O 3.36Å; Y82-A159 HydrophobicContact CD1-CB 4.31Å; Y82-A159 VanDerWaalsContact CD1-O 3.27Å; Y82-A159 WeakPolarHBondContact CD1-O 3.45Å; Y82-A159 HydrophobicContact CE1-CB 3.63Å; Y82-A159 HydrophobicContact CE2-CB 4.31Å; Y82-A159 PolarHBondContact N-O 2.72Å; Y82-A159 PolarHBondContact O-N 2.99Å; N125-A159 HydrophobicContact CB-CB 4.22Å; N125-A159 CarbonylContact O-C 3.48Å; N125-A159 VanDerWaalsContact O-CA 3.29Å; N125-A159 WeakPolarHBondContact O-CA 3.48Å; A159-L177 HydrophobicContact CB-CD1 4.32Å
160	A	97	Very high	95.5	Very high	32 Å²	32	38.9 Å²	38.9	26%	0.264	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.3	173.6	0	0	0	0	0	110.8	N125 K127	N125-A160 PolarHBondContact O-N 3.31Å; K127-A160 HydrophobicContact CG-CB 4.3Å
161	C	96.4	Very high	95.3	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.027	18%	0.178	C	C	.	.			trans	-137.6	117.4	176	176.4	0	0	0	0	109.3	M80 Y82 M163 C175	M80-C161 CarbonylContact C-O 3.57Å; M80-C161 WeakPolarHBondContact CB-O 3.3Å; M80-C161 PolarHBondContact O-N 2.93Å; Y82-C161 HydrophobicContact CD1-CB 3.82Å; Y82-C161 HydrophobicContact CE1-CB 4.09Å; C161-M163 HydrophobicContact CB-CE 4.44Å; C161-M163 PolarHBondContact O-N 2.91Å; C161-C175 HydrophobicContact CB-CB 3.78Å; C161-C175 WeakPolarHBondContact CB-SG 3.33Å; C161-C175 WeakPolarHBondContact SG-CA 3.28Å; C161-C175 WeakPolarHBondContact SG-CB 3.34Å; C161-C175 CovalentContact SG-SG 2.05Å; C161-C175 PolarHBondContact SG-SG 3.45Å
162	M	93.7	Very high	95.2	Very high	174 Å²	174	41.6 Å²	41.6	86%	0.857	20%	0.196	S	C	*	.			trans	-77.4	104.2	176.7	-64.8	-61.9	-71.1	0	0	109.4
163	M	93.2	Very high	95.1	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.059	20%	0.195	C	C	.	.			trans	-91.6	137	-177.6	-57.8	178.1	-170	0	0	111.8	V75 E77 M80 C161 L165 Q173	V75-M163 HydrophobicContact CG1-CE 3.51Å; E77-M163 HydrophobicContact CB-SD 4.42Å; E77-M163 HydrophobicContact CG-SD 4.05Å; M80-M163 HydrophobicContact SD-CB 3.76Å; M80-M163 HydrophobicContact SD-CG 4.04Å; M80-M163 HydrophobicContact SD-SD 4.35Å; C161-M163 HydrophobicContact CB-CE 4.44Å; C161-M163 PolarHBondContact O-N 2.91Å; M163-L165 HydrophobicContact CB-CD2 3.89Å; M163-L165 HydrophobicContact CB-CG 4.31Å; M163-Q173 HydrophobicContact CB-CG 4.47Å; M163-Q173 HydrophobicContact CG-CG 4.37Å
164	D	93.5	Very high	95.1	Very high	81 Å²	81	45.5 Å²	45.5	43%	0.433	22%	0.216	S	C	.	.			trans	-95.7	103.2	169	-173.8	-1.8	0	0	0	109.8	R166 Q173	D164-R166 WeakPolarHBondContact OD1-CB 3.24Å; D164-R166 WeakPolarHBondContact OD1-CD 3.12Å; D164-R166 WeakPolarHBondContact OD1-CG 3.21Å; D164-R166 PolarHBondContact OD1-N 3.06Å; D164-R166 VanDerWaalsContact OD1-N 3.07Å; D164-R166 IonicContact OD1-NE 3.37Å; D164-Q173 PolarHBondContact O-NE2 3.02Å
165	L	93.2	Very high	95	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.203	C	C	.	.			trans	-94.4	13.6	-176.7	-56.2	-170.2	0	0	0	113	E77 M80 M163 R167 Y168 P298 I300 Y302	E77-L165 HydrophobicContact CB-CD1 4.27Å; M80-L165 HydrophobicContact CE-CD1 4.27Å; M163-L165 HydrophobicContact CB-CD2 3.89Å; M163-L165 HydrophobicContact CB-CG 4.31Å; L165-R167 PolarHBondContact O-N 3.46Å; L165-Y168 HydrophobicContact CD2-CD2 4.23Å; L165-Y168 WeakPolarHBondContact O-CB 3.4Å; L165-Y168 PolarHBondContact O-N 2.94Å; L165-P298 HydrophobicContact CD1-CG 3.74Å; L165-I300 HydrophobicContact CB-CD1 3.84Å; L165-I300 HydrophobicContact CD1-CD1 3.28Å; L165-I300 HydrophobicContact CG-CD1 3.83Å; L165-Y302 HydrophobicContact CB-CE2 4.27Å; L165-Y302 PolarHBondContact N-OH 3.4Å
166	R	93.2	Very high	95	Very high	155 Å²	155	43.5 Å²	43.5	59%	0.585	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.2	178.2	-74.3	168.5	-177.5	177.3	1.1	112.4	D164 Y302 A305	D164-R166 WeakPolarHBondContact OD1-CB 3.24Å; D164-R166 WeakPolarHBondContact OD1-CD 3.12Å; D164-R166 WeakPolarHBondContact OD1-CG 3.21Å; D164-R166 PolarHBondContact OD1-N 3.06Å; D164-R166 VanDerWaalsContact OD1-N 3.07Å; D164-R166 IonicContact OD1-NE 3.37Å; R166-Y302 HydrophobicContact CB-CE2 4.49Å; R166-Y302 HydrophobicContact CG-CD2 3.8Å; R166-Y302 HydrophobicContact CG-CE2 3.77Å; R166-A305 PolarHBondContact O-N 3.27Å
167	R	93.5	Very high	94.9	Very high	120 Å²	120	43.1 Å²	43.1	45%	0.453	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	10.4	177.6	-68.2	-171.8	178	-145.9	-1.7	113.8	L165 L170 D171 Y472 H474	L165-R167 PolarHBondContact O-N 3.46Å; R167-L170 CarbonylContact O-C 3.59Å; R167-L170 WeakPolarHBondContact O-CA 3.49Å; R167-L170 PolarHBondContact O-N 2.89Å; R167-D171 HydrophobicContact CB-CB 4.35Å; R167-Y472 HydrophobicContact CG-CD1 4.44Å; R167-H474 PolarHBondContact NH1-OXT 3.15Å
168	Y	93.1	Very high	94.9	Very high	8 Å²	8	44.2 Å²	44.2	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	132.6	-177	-179.5	-87.6	0	0	0	112.8	L165 F246 L297 K304 A305 I306	L165-Y168 HydrophobicContact CD2-CD2 4.23Å; L165-Y168 WeakPolarHBondContact O-CB 3.4Å; L165-Y168 PolarHBondContact O-N 2.94Å; Y168-F246 HydrophobicContact CE1-CE1 4.23Å; Y168-F246 HydrophobicContact CE2-CZ 4.48Å; Y168-F246 AromaticContact CZ-CE1 3.81Å; Y168-F246 AromaticContact CZ-CZ 3.87Å; Y168-F246 WeakPolarHBondContact OH-CE1 3.45Å; Y168-F246 WeakPolarHBondContact OH-CZ 3.49Å; Y168-L297 HydrophobicContact CD1-CD1 4.12Å; Y168-L297 HydrophobicContact CE1-CD1 3.63Å; Y168-L297 HydrophobicContact CE1-CD2 3.7Å; Y168-L297 HydrophobicContact CE1-CG 4.34Å; Y168-L297 HydrophobicContact CE2-CD2 3.98Å; Y168-L297 WeakPolarHBondContact OH-CD2 3.03Å; Y168-K304 HydrophobicContact CD1-CD 4.46Å; Y168-A305 WeakPolarHBondContact O-CB 3.46Å; Y168-I306 HydrophobicContact CD1-CB 4.45Å; Y168-I306 HydrophobicContact CD1-CG2 3.78Å; Y168-I306 HydrophobicContact CE1-CD1 4.45Å; Y168-I306 HydrophobicContact CE1-CG2 4.29Å; Y168-I306 PolarHBondContact O-N 3.05Å; Y168-I306 VanDerWaalsContact O-N 3.1Å
169	P	93.5	Very high	94.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.7	19.6	2.6	37.6	-38.9	0	0	0	115.5	D171 R241 I243 F246 Y251 I306	P169-D171 VanDerWaalsContact C-N 3.27Å; P169-D171 WeakPolarHBondContact CA-OD1 3.33Å; P169-R241 WeakPolarHBondContact O-CD 3.34Å; P169-I243 HydrophobicContact CB-CD1 4.12Å; P169-I243 HydrophobicContact CG-CD1 3.52Å; P169-F246 HydrophobicContact CB-CB 4.41Å; P169-F246 HydrophobicContact CB-CD1 4.12Å; P169-F246 HydrophobicContact CB-CD2 3.54Å; P169-F246 HydrophobicContact CB-CE1 4.33Å; P169-F246 HydrophobicContact CB-CE2 3.77Å; P169-F246 HydrophobicContact CB-CG 3.74Å; P169-F246 HydrophobicContact CB-CZ 4.16Å; P169-F246 HydrophobicContact CG-CB 3.88Å; P169-F246 HydrophobicContact CG-CD1 4.17Å; P169-F246 HydrophobicContact CG-CD2 3.96Å; P169-F246 HydrophobicContact CG-CG 3.71Å; P169-Y251 HydrophobicContact CG-CE2 4.2Å; P169-I306 HydrophobicContact CG-CD1 4.42Å
170	L	92.1	Very high	94.8	Very high	42 Å²	42	42.9 Å²	42.9	22%	0.22	21%	0.206	C	C	.	.	S	Bend	trans	-96.6	31.8	177.8	-66.4	162.8	0	0	0	111.3	R167 I243 W469 V473	R167-L170 CarbonylContact O-C 3.59Å; R167-L170 WeakPolarHBondContact O-CA 3.49Å; R167-L170 PolarHBondContact O-N 2.89Å; L170-I243 HydrophobicContact CD2-CB 4.43Å; L170-I243 HydrophobicContact CD2-CD1 3.65Å; L170-I243 HydrophobicContact CD2-CG1 3.82Å; L170-I243 HydrophobicContact CG-CD1 3.98Å; L170-W469 HydrophobicContact CD1-CZ3 4.29Å; L170-V473 HydrophobicContact CD1-CG2 4.25Å; L170-V473 HydrophobicContact CD2-CG2 4.36Å
171	D	93.6	Very high	94.8	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.027	19%	0.194	C	C	.	.			trans	-94.1	149.8	-173	55.3	-43.1	0	0	0	113	R167 P169 Q173 R241	R167-D171 HydrophobicContact CB-CB 4.35Å; P169-D171 VanDerWaalsContact C-N 3.27Å; P169-D171 WeakPolarHBondContact CA-OD1 3.33Å; D171-Q173 PolarHBondContact OD2-NE2 2.97Å; D171-R241 PolarHBondContact O-N 3.42Å; D171-R241 WeakPolarHBondContact OD1-CD 3.44Å; D171-R241 IonicContact OD1-CZ 3.87Å; D171-R241 IonicContact OD1-NE 3.86Å; D171-R241 PolarHBondContact OD1-NE 3.21Å; D171-R241 IonicContact OD1-NH2 3.64Å; D171-R241 IonicContact OD2-CZ 2.77Å; D171-R241 IonicContact OD2-NE 3.1Å; D171-R241 PolarHBondContact OD2-NE 3.27Å; D171-R241 IonicContact OD2-NH2 3.09Å; D171-R241 PolarHBondContact OD2-NH2 3.34Å
172	E	94.4	Very high	94.7	Very high	98 Å²	98	49.2 Å²	49.2	46%	0.458	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.2	163.7	-64.6	-171.1	174.5	0	0	108.2	L239 K240	E172-L239 CarbonylContact C-O 3.4Å; E172-L239 WeakPolarHBondContact CA-O 3.18Å; E172-K240 HydrophobicContact CG-CB 4.33Å; E172-K240 HydrophobicContact CG-CG 4.3Å; E172-K240 IonicContact OE1-NZ 3.67Å
173	Q	95.5	Very high	94.8	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.028	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.1	-178.3	-60.3	-56.9	-27.1	0	0	110.3	M163 D164 D171 L239	M163-Q173 HydrophobicContact CB-CG 4.47Å; M163-Q173 HydrophobicContact CG-CG 4.37Å; D164-Q173 PolarHBondContact O-NE2 3.02Å; D171-Q173 PolarHBondContact OD2-NE2 2.97Å; Q173-L239 HydrophobicContact CB-CB 4.4Å; Q173-L239 PolarHBondContact N-O 2.94Å; Q173-L239 PolarHBondContact O-N 2.66Å
174	N	95.7	Very high	94.9	Very high	101 Å²	101	44.9 Å²	44.9	54%	0.54	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	100.9	173.7	-70.7	-36.1	0	0	0	108.9	F237	N174-F237 WeakPolarHBondContact CA-O 3.06Å
175	C	96.5	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.2	177.6	-67.5	0	0	0	0	110.6	Y82 C161 F237 L239	Y82-C175 HydrophobicContact CD1-CB 3.92Å; Y82-C175 HydrophobicContact CE1-CB 3.76Å; C161-C175 HydrophobicContact CB-CB 3.78Å; C161-C175 WeakPolarHBondContact CB-SG 3.33Å; C161-C175 WeakPolarHBondContact SG-CA 3.28Å; C161-C175 WeakPolarHBondContact SG-CB 3.34Å; C161-C175 CovalentContact SG-SG 2.05Å; C161-C175 PolarHBondContact SG-SG 3.45Å; C175-F237 PolarHBondContact N-O 3.07Å; C175-F237 PolarHBondContact O-N 3.42Å; C175-L239 HydrophobicContact CB-CD1 4.39Å
176	T	96.4	Very high	95.2	Very high	38 Å²	38	42.9 Å²	42.9	23%	0.233	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.6	-175	68.3	0	0	0	0	112.1	Y82 N125 L235 S236	Y82-T176 PolarHBondContact OH-O 3.19Å; N125-T176 PolarHBondContact ND2-O 2.77Å; N125-T176 PolarHBondContact ND2-OG1 2.85Å; N125-T176 VanDerWaalsContact ND2-OG1 3.16Å; T176-L235 CarbonylContact C-O 3.52Å; T176-L235 VanDerWaalsContact CA-O 3.3Å; T176-L235 WeakPolarHBondContact CA-O 3.49Å; T176-S236 WeakPolarHBondContact CG2-OG 3.43Å
177	L	96.5	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.9	166.7	-178.4	71.6	0	0	0	106.9	Y82 L84 M86 F123 T157 A159 I179 S234 L235	Y82-L177 PolarHBondContact OH-N 3.45Å; L84-L177 HydrophobicContact CD2-CD2 3.9Å; M86-L177 HydrophobicContact CE-CD2 3.87Å; M86-L177 HydrophobicContact SD-CD2 3.89Å; F123-L177 HydrophobicContact CB-CD1 4.45Å; F123-L177 HydrophobicContact CD1-CD1 3.88Å; F123-L177 HydrophobicContact CD1-CD2 4.49Å; F123-L177 HydrophobicContact CD1-CG 4.21Å; F123-L177 HydrophobicContact CE1-CD1 4.49Å; F123-L177 HydrophobicContact CE1-CD2 4.38Å; F123-L177 HydrophobicContact CG-CD1 4.26Å; T157-L177 HydrophobicContact CG2-CD1 4.24Å; A159-L177 HydrophobicContact CB-CD1 4.32Å; L177-I179 HydrophobicContact CG-CG1 4.41Å; L177-S234 WeakPolarHBondContact O-CA 3.37Å; L177-L235 HydrophobicContact CB-CB 4.36Å; L177-L235 PolarHBondContact N-O 3.08Å; L177-L235 PolarHBondContact O-N 3.44Å
178	E	96.5	Very high	95.4	Very high	23 Å²	23	38 Å²	38	11%	0.107	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.1	178.1	-61.6	-154.1	150.9	0	0	109.9	F123 L124 K221 R232	F123-E178 CarbonylContact C-O 3.52Å; F123-E178 VanDerWaalsContact CA-O 3.28Å; F123-E178 WeakPolarHBondContact CA-O 3.5Å; L124-E178 HydrophobicContact CB-CB 4.01Å; L124-E178 VanDerWaalsContact CD2-OE2 3.26Å; L124-E178 WeakPolarHBondContact CD2-OE2 3.38Å; L124-E178 PolarHBondContact N-O 2.9Å; E178-K221 IonicContact OE1-NZ 3.33Å; E178-K221 PolarHBondContact OE1-NZ 2.83Å; E178-R232 HydrophobicContact CB-CG 4.48Å; E178-R232 VanDerWaalsContact OE2-CD 3.3Å; E178-R232 WeakPolarHBondContact OE2-CD 3.33Å; E178-R232 IonicContact OE2-CZ 2.94Å; E178-R232 IonicContact OE2-NE 3Å; E178-R232 PolarHBondContact OE2-NE 3.3Å; E178-R232 IonicContact OE2-NH1 2.88Å; E178-R232 PolarHBondContact OE2-NH1 3.28Å
179	I	97.3	Very high	95.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.8	-176.3	-45.9	173.4	0	0	0	107.8	M65 I67 F88 F123 L177 W193 R232 L233	M65-I179 HydrophobicContact CE-CG2 3.89Å; M65-I179 HydrophobicContact SD-CB 4.4Å; M65-I179 HydrophobicContact SD-CD1 4.31Å; M65-I179 HydrophobicContact SD-CG2 3.64Å; I67-I179 HydrophobicContact CD1-CD1 3.71Å; F88-I179 HydrophobicContact CE2-CD1 4.02Å; F88-I179 HydrophobicContact CE2-CG2 4.43Å; F88-I179 HydrophobicContact CZ-CG2 4.03Å; F123-I179 HydrophobicContact CD1-CB 4.5Å; F123-I179 HydrophobicContact CD1-CG1 3.9Å; F123-I179 HydrophobicContact CD1-CG2 4.46Å; F123-I179 HydrophobicContact CE1-CD1 4.25Å; F123-I179 HydrophobicContact CE1-CG1 3.86Å; F123-I179 HydrophobicContact CE1-CG2 4.26Å; L177-I179 HydrophobicContact CG-CG1 4.41Å; I179-W193 HydrophobicContact CD1-CH2 4.16Å; I179-R232 CarbonylContact O-C 3.56Å; I179-R232 WeakPolarHBondContact O-CA 3.49Å; I179-R232 WeakPolarHBondContact O-CG 3.48Å; I179-L233 HydrophobicContact CB-CB 4.38Å; I179-L233 PolarHBondContact N-O 3.47Å; I179-L233 PolarHBondContact O-N 3.46Å
180	E	96.6	Very high	95.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.8	-171.8	-172.7	169.1	177	0	0	111.7	T121 Y122 V223 F225 Y230 R232	T121-E180 CarbonylContact C-O 3.49Å; T121-E180 WeakPolarHBondContact CA-O 3.19Å; Y122-E180 HydrophobicContact CD1-CB 4.35Å; Y122-E180 WeakPolarHBondContact CD1-O 3.27Å; Y122-E180 HydrophobicContact CE1-CB 3.71Å; Y122-E180 HydrophobicContact CE1-CG 3.87Å; Y122-E180 PolarHBondContact N-O 3.29Å; Y122-E180 PolarHBondContact O-N 2.94Å; Y122-E180 PolarHBondContact OH-OE2 3.18Å; E180-V223 WeakPolarHBondContact OE1-CG2 3.26Å; E180-F225 WeakPolarHBondContact OE1-CE2 3.44Å; E180-Y230 VanDerWaalsContact OE1-CB 3.32Å; E180-Y230 WeakPolarHBondContact OE1-CB 3.38Å; E180-R232 HydrophobicContact CB-CG 4.34Å; E180-R232 IonicContact OE1-NH2 3.66Å; E180-R232 IonicContact OE2-CZ 2.66Å; E180-R232 IonicContact OE2-NE 3.91Å; E180-R232 PolarHBondContact OE2-NE 3.1Å; E180-R232 IonicContact OE2-NH2 3.47Å; E180-R232 PolarHBondContact OE2-NH2 3.06Å
181	S	96.2	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.7	172	172.8	0	0	0	0	109.4	D120 Y184 Y230	D120-S181 PolarHBondContact OD1-OG 2.83Å; S181-Y184 WeakPolarHBondContact CB-O 3.12Å; S181-Y184 WeakPolarHBondContact OG-CB 3.16Å; S181-Y184 PolarHBondContact OG-N 3.27Å; S181-Y184 PolarHBondContact OG-O 3.34Å; S181-Y230 WeakPolarHBondContact O-CD1 3.36Å
182	Y	95.4	Very high	96	Very high	169 Å²	169	43.8 Å²	43.8	66%	0.663	22%	0.219	S	C	*	.	S	Bend	trans	-82.5	-55.6	-175.6	-173	-100.6	0	0	0	112.8	D120 Y122 Y230	D120-Y182 PolarHBondContact O-N 3.47Å; Y122-Y182 HydrophobicContact CD1-CD2 4.12Å; Y122-Y182 HydrophobicContact CD1-CG 4.42Å; Y122-Y182 AromaticContact CE1-CD2 3.98Å; Y122-Y182 HydrophobicContact CE1-CD2 3.98Å; Y122-Y182 HydrophobicContact CE1-CG 4.46Å; Y182-Y230 WeakPolarHBondContact O-CE1 3.47Å
183	G	94.2	Very high	96.1	Very high	45 Å²	45	40.5 Å²	40.5	46%	0.464	20%	0.203	S	C	.	.	S	Bend	trans	-97.4	-36.3	-174.4	0	0	0	0	0	113.7	D120	D120-G183 WeakPolarHBondContact OD2-CA 3.34Å; D120-G183 PolarHBondContact OD2-N 3.45Å
184	Y	95.8	Very high	95.9	Very high	49 Å²	49	43.1 Å²	43.1	19%	0.192	22%	0.217	C	C	.	.			trans	-85	125.4	-175.7	-62.3	-69	0	0	0	111.6	R53 W117 D120 S181 D188 Y230	R53-Y184 HydrophobicContact CB-CE1 4.33Å; R53-Y184 HydrophobicContact CG-CE1 4.49Å; W117-Y184 HydrophobicContact CZ2-CD2 4.37Å; W117-Y184 AromaticContact CZ2-CE2 3.82Å; W117-Y184 HydrophobicContact CZ2-CE2 3.82Å; W117-Y184 AromaticContact NE1-CE2 3.87Å; W117-Y184 AromaticContact NE1-CZ 3.72Å; W117-Y184 PolarHBondContact NE1-OH 2.97Å; D120-Y184 VanDerWaalsContact OD1-CD2 3.31Å; D120-Y184 WeakPolarHBondContact OD1-CD2 3.42Å; S181-Y184 WeakPolarHBondContact CB-O 3.12Å; S181-Y184 WeakPolarHBondContact OG-CB 3.16Å; S181-Y184 PolarHBondContact OG-N 3.27Å; S181-Y184 PolarHBondContact OG-O 3.34Å; Y184-D188 HydrophobicContact CD1-CB 3.77Å; Y184-D188 HydrophobicContact CG-CB 4.2Å; Y184-Y230 VanDerWaalsContact O-CD1 3.27Å; Y184-Y230 WeakPolarHBondContact O-CD1 3.22Å
185	T	96.6	Very high	95.3	Very high	26 Å²	26	41 Å²	41	16%	0.16	22%	0.219	C	C	.	.			trans	-77.8	175.8	174	67.8	0	0	0	0	111	D187 D188 I189 A229 Y230	T185-D187 PolarHBondContact O-N 2.93Å; T185-D187 VanDerWaalsContact O-N 3.13Å; T185-D188 PolarHBondContact O-N 2.92Å; T185-I189 PolarHBondContact O-N 3.08Å; T185-A229 CarbonylContact C-O 3.5Å; T185-A229 WeakPolarHBondContact CA-O 3.3Å; T185-A229 WeakPolarHBondContact CB-O 3.35Å; T185-Y230 HydrophobicContact CG2-CE1 4.19Å
186	T	95.7	Very high	94.8	Very high	14 Å²	14	43 Å²	43	9%	0.086	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.4	177.5	-54.9	0	0	0	0	112.7	D188 I189 E190 K222 A229	T186-D188 VanDerWaalsContact C-N 3.26Å; T186-D188 PolarHBondContact O-N 3.4Å; T186-I189 WeakPolarHBondContact CA-O 3.47Å; T186-E190 HydrophobicContact CG2-CG 4.48Å; T186-K222 HydrophobicContact CG2-CD 3.88Å; T186-A229 PolarHBondContact N-O 3.11Å; T186-A229 PolarHBondContact OG1-O 3.09Å
187	D	95	Very high	94.2	Very high	129 Å²	129	49.4 Å²	49.4	69%	0.69	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.9	176.6	-61.8	-28.4	0	0	0	112.5	T185	T185-D187 PolarHBondContact O-N 2.93Å; T185-D187 VanDerWaalsContact O-N 3.13Å
188	D	96.1	Very high	93.8	Very high	44 Å²	44	51.1 Å²	51.1	24%	0.235	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-33.1	-177.6	-73.4	-46.5	0	0	0	113.3	R53 P60 V61 Y184 T185 T186	R53-D188 IonicContact CZ-OD1 3.43Å; R53-D188 IonicContact NE-OD1 3Å; R53-D188 PolarHBondContact NE-OD1 3.43Å; R53-D188 IonicContact NH2-OD1 3.72Å; R53-D188 PolarHBondContact NH2-OD1 3.11Å; P60-D188 WeakPolarHBondContact CA-O 2.96Å; V61-D188 PolarHBondContact N-O 2.95Å; Y184-D188 HydrophobicContact CD1-CB 3.77Å; Y184-D188 HydrophobicContact CG-CB 4.2Å; T185-D188 PolarHBondContact O-N 2.92Å; T186-D188 VanDerWaalsContact C-N 3.26Å; T186-D188 PolarHBondContact O-N 3.4Å
189	I	96.9	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.9	-174.3	-163.2	163.1	0	0	0	111.1	V61 V63 W117 P119 T185 T186 F191 P231	V61-I189 HydrophobicContact CG1-CB 4.18Å; V61-I189 HydrophobicContact CG1-CD1 4.17Å; V61-I189 HydrophobicContact CG1-CG1 3.8Å; V61-I189 WeakPolarHBondContact O-CA 3.31Å; V63-I189 HydrophobicContact CG2-CD1 3.74Å; V63-I189 HydrophobicContact CG2-CG1 3.83Å; W117-I189 HydrophobicContact CH2-CD1 4.39Å; P119-I189 HydrophobicContact CB-CD1 3.77Å; T185-I189 PolarHBondContact O-N 3.08Å; T186-I189 WeakPolarHBondContact CA-O 3.47Å; I189-F191 HydrophobicContact CD1-CD1 4.46Å; I189-F191 HydrophobicContact CD1-CE1 3.55Å; I189-F191 HydrophobicContact CD1-CZ 4.15Å; I189-F191 HydrophobicContact CG1-CD1 4.2Å; I189-F191 HydrophobicContact CG1-CE1 3.73Å; I189-P231 HydrophobicContact CG2-CG 3.91Å; I189-P231 WeakPolarHBondContact O-CG 3.33Å
190	E	96.3	Very high	93.5	Very high	67 Å²	67	50.2 Å²	50.2	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.9	170.8	-68.7	-152.2	138	0	0	110.9	P60 V61 V63 T186 K222	P60-E190 HydrophobicContact CB-CG 4.17Å; P60-E190 HydrophobicContact CG-CG 4.1Å; V61-E190 PolarHBondContact O-N 2.79Å; V63-E190 PolarHBondContact N-O 3.08Å; T186-E190 HydrophobicContact CG2-CG 4.48Å; E190-K222 IonicContact OE1-NZ 3.91Å; E190-K222 PolarHBondContact OE1-NZ 2.84Å
191	F	96.7	Very high	93.4	Very high	12 Å²	12	52.3 Å²	52.3	5%	0.053	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.4	179.3	-65.8	-23.2	0	0	0	112.2	V63 M65 T121 I189 P231 L233	V63-F191 HydrophobicContact CB-CD1 3.92Å; V63-F191 HydrophobicContact CB-CE1 4.06Å; V63-F191 HydrophobicContact CG1-CE1 4.46Å; V63-F191 HydrophobicContact CG2-CE1 4.44Å; M65-F191 HydrophobicContact CE-CB 4.44Å; M65-F191 HydrophobicContact CE-CD1 3.59Å; M65-F191 HydrophobicContact CE-CD2 3.63Å; M65-F191 HydrophobicContact CE-CE1 3.53Å; M65-F191 HydrophobicContact CE-CE2 3.58Å; M65-F191 HydrophobicContact CE-CG 3.65Å; M65-F191 HydrophobicContact CE-CZ 3.55Å; T121-F191 HydrophobicContact CG2-CE1 4.2Å; T121-F191 HydrophobicContact CG2-CE2 4.48Å; T121-F191 HydrophobicContact CG2-CZ 3.73Å; I189-F191 HydrophobicContact CD1-CD1 4.46Å; I189-F191 HydrophobicContact CD1-CE1 3.55Å; I189-F191 HydrophobicContact CD1-CZ 4.15Å; I189-F191 HydrophobicContact CG1-CD1 4.2Å; I189-F191 HydrophobicContact CG1-CE1 3.73Å; F191-P231 HydrophobicContact CB-CB 4.2Å; F191-P231 HydrophobicContact CD2-CB 4Å; F191-P231 HydrophobicContact CD2-CG 3.9Å; F191-P231 WeakPolarHBondContact CD2-O 3.44Å; F191-P231 HydrophobicContact CE2-CG 4.14Å; F191-P231 HydrophobicContact CG-CB 4.13Å; F191-P231 HydrophobicContact CG-CG 4.12Å; F191-L233 HydrophobicContact CB-CD1 3.94Å; F191-L233 HydrophobicContact CB-CD2 4.06Å; F191-L233 HydrophobicContact CB-CG 3.73Å
192	Y	96	Very high	93.2	Very high	97 Å²	97	53.1 Å²	53.1	38%	0.38	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.4	173.8	67.1	-84.4	0	0	0	111.6	D62 V63 G64 M65 N194	D62-Y192 HydrophobicContact CB-CE1 3.9Å; V63-Y192 VanDerWaalsContact C-CE1 3.47Å; V63-Y192 PolarHBondContact O-N 2.98Å; G64-Y192 VanDerWaalsContact CA-CE1 3.44Å; G64-Y192 WeakPolarHBondContact CA-O 3.5Å; M65-Y192 PolarHBondContact N-O 3.48Å; Y192-N194 HydrophobicContact CE2-CB 4.18Å; Y192-N194 PolarHBondContact O-N 3.13Å
193	W	96.3	Very high	93	Very high	29 Å²	29	45.4 Å²	45.4	11%	0.11	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	111.3	174.2	-69.3	110.3	0	0	0	109.9	I67 I179 G195 G196 A199 V200 M218 V219 L233 L235	I67-W193 HydrophobicContact CD1-CH2 3.82Å; I67-W193 HydrophobicContact CD1-CZ3 3.74Å; I67-W193 HydrophobicContact CG1-CZ3 4.09Å; I179-W193 HydrophobicContact CD1-CH2 4.16Å; W193-G195 PolarHBondContact O-N 3.31Å; W193-G195 VanDerWaalsContact O-N 3.14Å; W193-G196 PolarHBondContact O-N 3.47Å; W193-A199 HydrophobicContact CB-CB 3.8Å; W193-A199 HydrophobicContact CE3-CB 4.01Å; W193-V200 HydrophobicContact CE3-CG2 4.38Å; W193-V200 HydrophobicContact CH2-CG2 4.45Å; W193-V200 HydrophobicContact CZ3-CG2 3.99Å; W193-M218 HydrophobicContact CD2-CB 4.39Å; W193-M218 HydrophobicContact CD2-CG 4.36Å; W193-M218 HydrophobicContact CD2-SD 4.16Å; W193-M218 HydrophobicContact CE3-SD 4.32Å; W193-M218 HydrophobicContact CG-CB 4.4Å; W193-M218 HydrophobicContact CG-SD 4.37Å; W193-M218 HydrophobicContact CZ2-CB 4.47Å; W193-M218 HydrophobicContact CZ2-CG 4.36Å; W193-V219 PolarHBondContact NE1-O 2.79Å; W193-L233 HydrophobicContact CD2-CD1 4.03Å; W193-L233 HydrophobicContact CE3-CD1 4.33Å; W193-L233 HydrophobicContact CG-CD1 4.46Å; W193-L233 HydrophobicContact CH2-CB 4.3Å; W193-L233 HydrophobicContact CZ2-CB 3.66Å; W193-L233 HydrophobicContact CZ2-CD1 4.26Å; W193-L233 HydrophobicContact CZ2-CG 4.46Å; W193-L235 HydrophobicContact CH2-CB 4.22Å; W193-L235 HydrophobicContact CZ2-CB 4.47Å
194	N	91.6	Very high	92.7	Very high	62 Å²	62	50.7 Å²	50.7	33%	0.332	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	105.2	-178	-171	3.6	0	0	0	110.4	M65 Y192 A199	M65-N194 PolarHBondContact O-N 2.93Å; Y192-N194 HydrophobicContact CE2-CB 4.18Å; Y192-N194 PolarHBondContact O-N 3.13Å; N194-A199 WeakPolarHBondContact O-CA 3.36Å; N194-A199 VanDerWaalsContact O-CB 3.28Å; N194-A199 WeakPolarHBondContact O-CB 3.31Å
195	G	84	Confident	92.3	Very high	55 Å²	55	57.2 Å²	57.2	57%	0.567	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.2	10.4	-176.8	0	0	0	0	0	115	W193 E197 G198	W193-G195 PolarHBondContact O-N 3.31Å; W193-G195 VanDerWaalsContact O-N 3.14Å; G195-E197 PolarHBondContact O-N 3.33Å; G195-E197 VanDerWaalsContact O-N 3.17Å; G195-G198 PolarHBondContact O-N 3.49Å
196	G	85.7	Confident	92.1	Very high	43 Å²	43	57 Å²	57	44%	0.443	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	55.8	-119.6	176.7	0	0	0	0	0	111.7	W193 G198 A199 M218	W193-G196 PolarHBondContact O-N 3.47Å; G196-G198 PolarHBondContact O-N 3.15Å; G196-A199 VanDerWaalsContact O-CB 3.25Å; G196-A199 WeakPolarHBondContact O-CB 3.36Å; G196-A199 PolarHBondContact O-N 2.97Å; G196-A199 VanDerWaalsContact O-N 3.11Å; G196-M218 WeakPolarHBondContact O-CE 3.16Å
197	E	82.7	Confident	91.7	Very high	172 Å²	172	65.2 Å²	65.2	80%	0.804	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-59.1	-28.7	176.8	-67.7	-172.5	172.2	0	0	113.9	G195	G195-E197 PolarHBondContact O-N 3.33Å; G195-E197 VanDerWaalsContact O-N 3.17Å
198	G	89.2	Confident	91.5	Very high	37 Å²	37	60 Å²	60	38%	0.381	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-87.7	3.8	178.5	0	0	0	0	0	114.9	G195 G196 V200	G195-G198 PolarHBondContact O-N 3.49Å; G196-G198 PolarHBondContact O-N 3.15Å; G198-V200 VanDerWaalsContact C-N 3.27Å; G198-V200 PolarHBondContact O-N 3.44Å
199	A	93.2	Very high	91.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-70.7	-24.7	179.6	0	0	0	0	0	112.8	R66 I67 W193 N194 G196 M218	R66-A199 WeakPolarHBondContact CA-O 3.48Å; R66-A199 VanDerWaalsContact CG-O 3.3Å; R66-A199 WeakPolarHBondContact CG-O 3.27Å; I67-A199 PolarHBondContact N-O 2.96Å; W193-A199 HydrophobicContact CB-CB 3.8Å; W193-A199 HydrophobicContact CE3-CB 4.01Å; N194-A199 WeakPolarHBondContact O-CA 3.36Å; N194-A199 VanDerWaalsContact O-CB 3.28Å; N194-A199 WeakPolarHBondContact O-CB 3.31Å; G196-A199 VanDerWaalsContact O-CB 3.25Å; G196-A199 WeakPolarHBondContact O-CB 3.36Å; G196-A199 PolarHBondContact O-N 2.97Å; G196-A199 VanDerWaalsContact O-N 3.11Å; A199-M218 HydrophobicContact CB-SD 4.14Å
200	V	94.5	Very high	90.8	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.018	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.3	176.5	179.2	0	0	0	0	109.2	I67 V69 W193 G198 V203 Y216 M218 L235	I67-V200 HydrophobicContact CB-CG2 4.29Å; I67-V200 CarbonylContact O-C 3.59Å; I67-V200 VanDerWaalsContact O-CA 3.26Å; I67-V200 WeakPolarHBondContact O-CA 3.42Å; V69-V200 HydrophobicContact CG2-CG1 4.45Å; W193-V200 HydrophobicContact CE3-CG2 4.38Å; W193-V200 HydrophobicContact CH2-CG2 4.45Å; W193-V200 HydrophobicContact CZ3-CG2 3.99Å; G198-V200 VanDerWaalsContact C-N 3.27Å; G198-V200 PolarHBondContact O-N 3.44Å; V200-V203 HydrophobicContact CG1-CG2 3.69Å; V200-Y216 HydrophobicContact CB-CD2 4.49Å; V200-Y216 HydrophobicContact CB-CE2 4.11Å; V200-Y216 HydrophobicContact CG1-CD2 4.43Å; V200-Y216 HydrophobicContact CG1-CE2 4.36Å; V200-M218 HydrophobicContact CB-SD 3.97Å; V200-M218 HydrophobicContact CG2-CG 3.97Å; V200-M218 HydrophobicContact CG2-SD 3.41Å; V200-M218 WeakPolarHBondContact CG2-SD 3.38Å; V200-L235 HydrophobicContact CG1-CD1 4.23Å; V200-L235 HydrophobicContact CG1-CD2 4.08Å; V200-L235 HydrophobicContact CG2-CD1 4.03Å; V200-L235 HydrophobicContact CG2-CD2 4.18Å
201	T	94.1	Very high	90.7	Very high	46 Å²	46	64.5 Å²	64.5	28%	0.282	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	167.7	178	57.8	0	0	0	0	111.4	I67 D68 V69 V203	I67-T201 PolarHBondContact O-N 2.83Å; D68-T201 WeakPolarHBondContact CB-OG1 3.4Å; D68-T201 VanDerWaalsContact CG-OG1 3.23Å; D68-T201 WeakPolarHBondContact OD1-CB 3.47Å; D68-T201 PolarHBondContact OD1-OG1 2.96Å; V69-T201 PolarHBondContact N-O 3.4Å; T201-V203 VanDerWaalsContact C-N 3.32Å; T201-V203 PolarHBondContact O-N 3.42Å
202	G	91.3	Very high	90.5	Very high	17 Å²	17	66 Å²	66	18%	0.175	37%	0.369	C	S	.	.	S	Bend	trans	88.8	-17.1	177.1	0	0	0	0	0	115.3	D68 N204 K205	D68-G202 PolarHBondContact OD1-N 3.44Å; G202-N204 VanDerWaalsContact C-N 3.32Å; G202-N204 PolarHBondContact O-N 2.96Å; G202-K205 WeakPolarHBondContact O-CB 3.5Å; G202-K205 PolarHBondContact O-N 3.33Å
203	V	91	Very high	90.4	Very high	7 Å²	7	63.4 Å²	63.4	4%	0.042	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-56.7	-41.1	-175.9	-173.3	0	0	0	0	113.2	V69 V200 T201 K205 I206 I213 Y216 F237	V69-V203 HydrophobicContact CG2-CG2 4.4Å; V200-V203 HydrophobicContact CG1-CG2 3.69Å; T201-V203 VanDerWaalsContact C-N 3.32Å; T201-V203 PolarHBondContact O-N 3.42Å; V203-K205 PolarHBondContact O-N 3.33Å; V203-I206 HydrophobicContact CG1-CD1 4.44Å; V203-I206 WeakPolarHBondContact O-CB 3.42Å; V203-I206 WeakPolarHBondContact O-CG1 3.2Å; V203-I206 PolarHBondContact O-N 3.39Å; V203-I213 HydrophobicContact CG1-CD1 4.06Å; V203-I213 HydrophobicContact CG1-CG2 3.88Å; V203-Y216 HydrophobicContact CB-CD1 4.06Å; V203-Y216 HydrophobicContact CB-CE1 4.19Å; V203-Y216 HydrophobicContact CG1-CD1 3.78Å; V203-Y216 HydrophobicContact CG1-CE1 4.36Å; V203-Y216 HydrophobicContact CG1-CG 4.39Å; V203-Y216 HydrophobicContact CG2-CD1 4.13Å; V203-Y216 HydrophobicContact CG2-CE1 4.32Å; V203-Y216 HydrophobicContact CG2-CG 4.33Å; V203-F237 HydrophobicContact CG1-CE1 4.48Å; V203-F237 HydrophobicContact CG2-CE1 4.2Å
204	N	87.4	Confident	90.2	Very high	155 Å²	155	65.6 Å²	65.6	83%	0.829	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-69.1	-14	-179.5	-62.5	-14.8	0	0	0	114	G202	G202-N204 VanDerWaalsContact C-N 3.32Å; G202-N204 PolarHBondContact O-N 2.96Å
205	K	89	Confident	90.2	Very high	187 Å²	187	65.9 Å²	65.9	81%	0.813	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-95.2	-2.4	179.2	-61	179.9	-179.1	175.5	0	112.5	G202 V203 E207	G202-K205 WeakPolarHBondContact O-CB 3.5Å; G202-K205 PolarHBondContact O-N 3.33Å; V203-K205 PolarHBondContact O-N 3.33Å; K205-E207 PolarHBondContact O-N 3.44Å
206	I	91.4	Very high	90.7	Very high	22 Å²	22	66.1 Å²	66.1	11%	0.113	36%	0.363	C	S	.	.			trans	-81.8	115.5	-175.9	-57.2	170.3	0	0	0	108.8	V69 I72 V203 L208 I213	V69-I206 HydrophobicContact CB-CD1 4.06Å; V69-I206 HydrophobicContact CG1-CD1 3.4Å; V69-I206 HydrophobicContact CG1-CG1 4.21Å; I72-I206 HydrophobicContact CB-CG2 4.15Å; I72-I206 HydrophobicContact CD1-CD1 4.06Å; I72-I206 HydrophobicContact CD1-CG2 4.26Å; I72-I206 HydrophobicContact CG1-CD1 4.18Å; I72-I206 HydrophobicContact CG1-CG2 4.23Å; V203-I206 HydrophobicContact CG1-CD1 4.44Å; V203-I206 WeakPolarHBondContact O-CB 3.42Å; V203-I206 WeakPolarHBondContact O-CG1 3.2Å; V203-I206 PolarHBondContact O-N 3.39Å; I206-L208 HydrophobicContact CG2-CG 4.11Å; I206-I213 HydrophobicContact CB-CD1 3.74Å; I206-I213 HydrophobicContact CD1-CD1 3.76Å; I206-I213 HydrophobicContact CG1-CD1 4.34Å; I206-I213 HydrophobicContact CG2-CD1 3.83Å
207	E	86.8	Confident	91.1	Very high	186 Å²	186	69.3 Å²	69.3	87%	0.869	37%	0.365	S	S	*	.			trans	-103.8	113.4	171.5	-67.5	-178.4	178.9	0	0	109.2	K205	K205-E207 PolarHBondContact O-N 3.44Å
208	L	90.5	Very high	91.6	Very high	19 Å²	19	63.5 Å²	63.5	10%	0.099	34%	0.338	C	S	.	.			trans	-103.3	135.2	173.1	-75	170.2	0	0	0	109.3	I72 I206 Q210 F211 I213 L239	I72-L208 HydrophobicContact CB-CD1 4.37Å; I72-L208 HydrophobicContact CB-CD2 3.94Å; I72-L208 HydrophobicContact CB-CG 4.46Å; I72-L208 HydrophobicContact CD1-CD1 4.42Å; I72-L208 HydrophobicContact CG2-CD1 4.24Å; I72-L208 HydrophobicContact CG2-CD2 3.85Å; I72-L208 VanDerWaalsContact O-CD2 3.27Å; I72-L208 WeakPolarHBondContact O-CD2 3.49Å; I206-L208 HydrophobicContact CG2-CG 4.11Å; L208-Q210 PolarHBondContact O-N 2.67Å; L208-F211 HydrophobicContact CB-CB 4.13Å; L208-F211 VanDerWaalsContact CB-O 3.29Å; L208-F211 WeakPolarHBondContact CB-O 3.32Å; L208-F211 HydrophobicContact CD1-CB 4Å; L208-I213 HydrophobicContact CD1-CG1 4.45Å; L208-L239 HydrophobicContact CD1-CD2 4.15Å
209	P	89.6	Confident	91.9	Very high	120 Å²	120	64.8 Å²	64.8	78%	0.779	34%	0.338	S	S	*	.	S	Bend	trans	-69	-34.3	-176.6	25.1	-33.6	0	0	0	113.1
210	Q	89.8	Confident	91.9	Very high	78 Å²	78	68.3 Å²	68.3	36%	0.364	36%	0.363	S	S	.	.	S	Bend	trans	-106	-15.6	-176.3	-80.2	179.3	-33.4	0	0	114.4	L208 N242	L208-Q210 PolarHBondContact O-N 2.67Å; Q210-N242 WeakPolarHBondContact O-CB 3.26Å; Q210-N242 PolarHBondContact O-N 3.1Å
211	F	93.2	Very high	91.9	Very high	8 Å²	8	71.7 Å²	71.7	4%	0.035	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.6	-174.6	-66.8	-89.2	0	0	0	110.6	V75 E77 L208 L239 K240 R241	V75-F211 HydrophobicContact CB-CD2 4.19Å; V75-F211 HydrophobicContact CB-CE2 3.79Å; V75-F211 HydrophobicContact CB-CZ 4.46Å; V75-F211 HydrophobicContact CG1-CD2 4.48Å; V75-F211 HydrophobicContact CG1-CE2 3.81Å; V75-F211 HydrophobicContact CG1-CZ 3.98Å; V75-F211 HydrophobicContact CG2-CD2 4.32Å; V75-F211 HydrophobicContact CG2-CE2 4.4Å; E77-F211 WeakPolarHBondContact OE1-CZ 3.14Å; L208-F211 HydrophobicContact CB-CB 4.13Å; L208-F211 VanDerWaalsContact CB-O 3.29Å; L208-F211 WeakPolarHBondContact CB-O 3.32Å; L208-F211 HydrophobicContact CD1-CB 4Å; F211-L239 HydrophobicContact CD1-CB 4.05Å; F211-K240 CarbonylContact C-O 3.49Å; F211-K240 WeakPolarHBondContact CA-O 2.96Å; F211-R241 HydrophobicContact CD1-CB 4.21Å; F211-R241 HydrophobicContact CE1-CB 4.14Å; F211-R241 HydrophobicContact CE1-CG 4.32Å; F211-R241 VanDerWaalsContact CZ-CZ 3.42Å
212	S	93.3	Very high	92	Very high	44 Å²	44	75.8 Å²	75.8	31%	0.308	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.2	167.7	52.1	0	0	0	0	108.3	V214 K240 N242	S212-V214 PolarHBondContact O-N 2.99Å; S212-K240 PolarHBondContact N-O 2.94Å; S212-K240 PolarHBondContact O-N 3.31Å; S212-K240 PolarHBondContact OG-O 2.68Å; S212-K240 VanDerWaalsContact OG-O 3.13Å; S212-N242 PolarHBondContact OG-OD1 2.89Å
213	I	93.2	Very high	92.2	Very high	42 Å²	42	76.1 Å²	76.1	22%	0.215	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117.8	173.8	-54.1	-178.1	0	0	0	107	I72 V203 I206 L208 L239	I72-I213 HydrophobicContact CD1-CD1 4.1Å; V203-I213 HydrophobicContact CG1-CD1 4.06Å; V203-I213 HydrophobicContact CG1-CG2 3.88Å; I206-I213 HydrophobicContact CB-CD1 3.74Å; I206-I213 HydrophobicContact CD1-CD1 3.76Å; I206-I213 HydrophobicContact CG1-CD1 4.34Å; I206-I213 HydrophobicContact CG2-CD1 3.83Å; L208-I213 HydrophobicContact CD1-CG1 4.45Å; I213-L239 HydrophobicContact CG1-CD2 3.89Å
214	V	92.2	Very high	92.4	Very high	75 Å²	75	84.4 Å²	84.4	46%	0.455	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-48.3	179.5	178.7	0	0	0	0	110.4	S212 R238 K240	S212-V214 PolarHBondContact O-N 2.99Å; V214-R238 HydrophobicContact CB-CB 4.38Å; V214-R238 HydrophobicContact CB-CG 4.21Å; V214-R238 PolarHBondContact N-O 3Å; V214-K240 HydrophobicContact CG2-CB 3.42Å; V214-K240 VanDerWaalsContact CG2-CB 3.42Å; V214-K240 HydrophobicContact CG2-CD 4.06Å; V214-K240 HydrophobicContact CG2-CG 4.41Å
215	D	92.9	Very high	92.7	Very high	67 Å²	67	81.8 Å²	81.8	36%	0.358	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	162	-173.9	-171.7	22.2	0	0	0	109.9	R238	D215-R238 PolarHBondContact O-N 3.03Å
216	Y	93.4	Very high	93	Very high	60 Å²	60	80.1 Å²	80.1	24%	0.235	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.3	170.4	67.5	-85.1	0	0	0	110.7	V200 V203 M218 L235 S236	V200-Y216 HydrophobicContact CB-CD2 4.49Å; V200-Y216 HydrophobicContact CB-CE2 4.11Å; V200-Y216 HydrophobicContact CG1-CD2 4.43Å; V200-Y216 HydrophobicContact CG1-CE2 4.36Å; V203-Y216 HydrophobicContact CB-CD1 4.06Å; V203-Y216 HydrophobicContact CB-CE1 4.19Å; V203-Y216 HydrophobicContact CG1-CD1 3.78Å; V203-Y216 HydrophobicContact CG1-CE1 4.36Å; V203-Y216 HydrophobicContact CG1-CG 4.39Å; V203-Y216 HydrophobicContact CG2-CD1 4.13Å; V203-Y216 HydrophobicContact CG2-CE1 4.32Å; V203-Y216 HydrophobicContact CG2-CG 4.33Å; Y216-M218 HydrophobicContact CE2-CE 4.16Å; Y216-L235 HydrophobicContact CD2-CD1 4.21Å; Y216-S236 CarbonylContact C-O 3.58Å; Y216-S236 WeakPolarHBondContact CA-O 3.35Å
217	K	93.9	Very high	93.2	Very high	111 Å²	111	83.9 Å²	83.9	48%	0.483	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.4	179.9	-63.6	-172.4	176.8	-168.6	0	110.9	S236	K217-S236 PolarHBondContact N-O 3.08Å; K217-S236 PolarHBondContact O-N 3.28Å
218	M	94.6	Very high	93.6	Very high	49 Å²	49	76.2 Å²	76.2	24%	0.241	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124	173.5	-69.4	176.6	-69.4	0	0	109	W193 G196 A199 V200 Y216 L235	W193-M218 HydrophobicContact CD2-CB 4.39Å; W193-M218 HydrophobicContact CD2-CG 4.36Å; W193-M218 HydrophobicContact CD2-SD 4.16Å; W193-M218 HydrophobicContact CE3-SD 4.32Å; W193-M218 HydrophobicContact CG-CB 4.4Å; W193-M218 HydrophobicContact CG-SD 4.37Å; W193-M218 HydrophobicContact CZ2-CB 4.47Å; W193-M218 HydrophobicContact CZ2-CG 4.36Å; G196-M218 WeakPolarHBondContact O-CE 3.16Å; A199-M218 HydrophobicContact CB-SD 4.14Å; V200-M218 HydrophobicContact CB-SD 3.97Å; V200-M218 HydrophobicContact CG2-CG 3.97Å; V200-M218 HydrophobicContact CG2-SD 3.41Å; V200-M218 WeakPolarHBondContact CG2-SD 3.38Å; Y216-M218 HydrophobicContact CE2-CE 4.16Å; M218-L235 HydrophobicContact CG-CD1 4.17Å
219	V	94.1	Very high	93.8	Very high	64 Å²	64	77 Å²	77	39%	0.388	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.2	179.3	-178.5	0	0	0	0	108.4	W193 L233 S234	W193-V219 PolarHBondContact NE1-O 2.79Å; V219-L233 WeakPolarHBondContact O-CA 3.38Å; V219-S234 PolarHBondContact N-O 3.03Å; V219-S234 PolarHBondContact O-N 3.49Å
220	S	94.8	Very high	94.2	Very high	75 Å²	75	72.4 Å²	72.4	52%	0.524	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128	165.3	-178.2	0	0	0	0	108	L233	S220-L233 WeakPolarHBondContact OG-CD2 3.45Å
221	K	94.4	Very high	94.5	Very high	73 Å²	73	69 Å²	69	32%	0.317	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154.6	-178.6	64.5	-173.3	-174.6	-171.7	0	110.6	E178 V223 R232	E178-K221 IonicContact OE1-NZ 3.33Å; E178-K221 PolarHBondContact OE1-NZ 2.83Å; K221-V223 HydrophobicContact CD-CG1 4.42Å; K221-V223 HydrophobicContact CG-CG1 4.26Å; K221-R232 HydrophobicContact CG-CB 4.09Å; K221-R232 PolarHBondContact N-O 3Å; K221-R232 PolarHBondContact O-N 3.06Å
222	K	95.1	Very high	94.7	Very high	133 Å²	133	69.6 Å²	69.6	58%	0.578	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.1	169	-64.6	-176.7	174.9	-167.5	0	107.7	T186 E190	T186-K222 HydrophobicContact CG2-CD 3.88Å; E190-K222 IonicContact OE1-NZ 3.91Å; E190-K222 PolarHBondContact OE1-NZ 2.84Å
223	V	95.3	Very high	94.8	Very high	23 Å²	23	67.5 Å²	67.5	14%	0.139	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.7	-177.3	-68	0	0	0	0	109.6	E180 K221 F225 A229 Y230 R232	E180-V223 WeakPolarHBondContact OE1-CG2 3.26Å; K221-V223 HydrophobicContact CD-CG1 4.42Å; K221-V223 HydrophobicContact CG-CG1 4.26Å; V223-F225 HydrophobicContact CB-CE2 4.3Å; V223-F225 HydrophobicContact CG2-CD2 4.31Å; V223-F225 HydrophobicContact CG2-CE2 3.77Å; V223-A229 CarbonylContact O-C 3.58Å; V223-A229 WeakPolarHBondContact O-CA 3.28Å; V223-Y230 WeakPolarHBondContact CG2-O 3.24Å; V223-Y230 PolarHBondContact N-O 3.5Å; V223-Y230 PolarHBondContact O-N 3.07Å; V223-R232 HydrophobicContact CG1-CB 4.29Å; V223-R232 HydrophobicContact CG2-CB 4.13Å
224	E	95.1	Very high	95	Very high	182 Å²	182	65.8 Å²	65.8	85%	0.85	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.1	-178.1	-66.7	-179.3	179.4	0	0	110.2	A229	E224-A229 HydrophobicContact CG-CB 4.17Å
225	F	94.6	Very high	95.1	Very high	99 Å²	99	62.2 Å²	62.2	43%	0.434	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	173.6	171.3	-72.3	-84.3	0	0	0	110.2	E180 V223 T227 G228 Y230 R232	E180-F225 WeakPolarHBondContact OE1-CE2 3.44Å; V223-F225 HydrophobicContact CB-CE2 4.3Å; V223-F225 HydrophobicContact CG2-CD2 4.31Å; V223-F225 HydrophobicContact CG2-CE2 3.77Å; F225-T227 PolarHBondContact O-N 3.42Å; F225-G228 PolarHBondContact N-O 2.92Å; F225-G228 PolarHBondContact O-N 3.28Å; F225-Y230 HydrophobicContact CB-CD2 4.45Å; F225-Y230 HydrophobicContact CB-CE2 4.21Å; F225-Y230 AromaticContact CD2-CD2 3.77Å; F225-Y230 HydrophobicContact CD2-CD2 3.77Å; F225-Y230 HydrophobicContact CD2-CE2 4.24Å; F225-R232 VanDerWaalsContact CZ-NH2 3.34Å
226	T	95.2	Very high	95.2	Very high	153 Å²	153	60.3 Å²	60.3	94%	0.939	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.2	176.3	51.2	0	0	0	0	113.4
227	T	94.9	Very high	95.2	Very high	101 Å²	101	57.6 Å²	57.6	62%	0.62	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-18.8	-179.9	50.8	0	0	0	0	113.9	F225 Y230	F225-T227 PolarHBondContact O-N 3.42Å; T227-Y230 WeakPolarHBondContact OG1-CE2 3.4Å; T227-Y230 PolarHBondContact OG1-OH 2.76Å
228	G	94.7	Very high	95.2	Very high	25 Å²	25	56.1 Å²	56.1	26%	0.258	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.5	-177.7	-175.9	0	0	0	0	0	113.3	F225 Y230	F225-G228 PolarHBondContact N-O 2.92Å; F225-G228 PolarHBondContact O-N 3.28Å; G228-Y230 WeakPolarHBondContact O-CD2 3.12Å; G228-Y230 WeakPolarHBondContact O-CE2 3.29Å
229	A	96.6	Very high	95.2	Very high	36 Å²	36	53.9 Å²	53.9	30%	0.298	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.4	176.2	0	0	0	0	0	110.9	T185 T186 V223 E224	T185-A229 CarbonylContact C-O 3.5Å; T185-A229 WeakPolarHBondContact CA-O 3.3Å; T185-A229 WeakPolarHBondContact CB-O 3.35Å; T186-A229 PolarHBondContact N-O 3.11Å; T186-A229 PolarHBondContact OG1-O 3.09Å; V223-A229 CarbonylContact O-C 3.58Å; V223-A229 WeakPolarHBondContact O-CA 3.28Å; E224-A229 HydrophobicContact CG-CB 4.17Å
230	Y	97.1	Very high	95.3	Very high	22 Å²	22	55.6 Å²	55.6	9%	0.086	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.5	-176.2	-63	-95.4	0	0	0	111.6	E180 S181 Y182 Y184 T185 V223 F225 T227 G228	E180-Y230 VanDerWaalsContact OE1-CB 3.32Å; E180-Y230 WeakPolarHBondContact OE1-CB 3.38Å; S181-Y230 WeakPolarHBondContact O-CD1 3.36Å; Y182-Y230 WeakPolarHBondContact O-CE1 3.47Å; Y184-Y230 VanDerWaalsContact O-CD1 3.27Å; Y184-Y230 WeakPolarHBondContact O-CD1 3.22Å; T185-Y230 HydrophobicContact CG2-CE1 4.19Å; V223-Y230 WeakPolarHBondContact CG2-O 3.24Å; V223-Y230 PolarHBondContact N-O 3.5Å; V223-Y230 PolarHBondContact O-N 3.07Å; F225-Y230 HydrophobicContact CB-CD2 4.45Å; F225-Y230 HydrophobicContact CB-CE2 4.21Å; F225-Y230 AromaticContact CD2-CD2 3.77Å; F225-Y230 HydrophobicContact CD2-CD2 3.77Å; F225-Y230 HydrophobicContact CD2-CE2 4.24Å; T227-Y230 WeakPolarHBondContact OG1-CE2 3.4Å; T227-Y230 PolarHBondContact OG1-OH 2.76Å; G228-Y230 WeakPolarHBondContact O-CD2 3.12Å; G228-Y230 WeakPolarHBondContact O-CE2 3.29Å
231	P	96.3	Very high	95.3	Very high	6 Å²	6	52.5 Å²	52.5	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134	172.1	32.8	-35.2	0	0	0	110.5	I189 F191	I189-P231 HydrophobicContact CG2-CG 3.91Å; I189-P231 WeakPolarHBondContact O-CG 3.33Å; F191-P231 HydrophobicContact CB-CB 4.2Å; F191-P231 HydrophobicContact CD2-CB 4Å; F191-P231 HydrophobicContact CD2-CG 3.9Å; F191-P231 WeakPolarHBondContact CD2-O 3.44Å; F191-P231 HydrophobicContact CE2-CG 4.14Å; F191-P231 HydrophobicContact CG-CB 4.13Å; F191-P231 HydrophobicContact CG-CG 4.12Å
232	R	97	Very high	95.2	Very high	22 Å²	22	52.2 Å²	52.2	8%	0.083	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.8	177.9	-172.4	-176.8	-72.6	167.4	13.8	111.5	E178 I179 E180 K221 V223 F225	E178-R232 HydrophobicContact CB-CG 4.48Å; E178-R232 VanDerWaalsContact OE2-CD 3.3Å; E178-R232 WeakPolarHBondContact OE2-CD 3.33Å; E178-R232 IonicContact OE2-CZ 2.94Å; E178-R232 IonicContact OE2-NE 3Å; E178-R232 PolarHBondContact OE2-NE 3.3Å; E178-R232 IonicContact OE2-NH1 2.88Å; E178-R232 PolarHBondContact OE2-NH1 3.28Å; I179-R232 CarbonylContact O-C 3.56Å; I179-R232 WeakPolarHBondContact O-CA 3.49Å; I179-R232 WeakPolarHBondContact O-CG 3.48Å; E180-R232 HydrophobicContact CB-CG 4.34Å; E180-R232 IonicContact OE1-NH2 3.66Å; E180-R232 IonicContact OE2-CZ 2.66Å; E180-R232 IonicContact OE2-NE 3.91Å; E180-R232 PolarHBondContact OE2-NE 3.1Å; E180-R232 IonicContact OE2-NH2 3.47Å; E180-R232 PolarHBondContact OE2-NH2 3.06Å; K221-R232 HydrophobicContact CG-CB 4.09Å; K221-R232 PolarHBondContact N-O 3Å; K221-R232 PolarHBondContact O-N 3.06Å; V223-R232 HydrophobicContact CG1-CB 4.29Å; V223-R232 HydrophobicContact CG2-CB 4.13Å; F225-R232 VanDerWaalsContact CZ-NH2 3.34Å
233	L	96.3	Very high	95.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.9	167.5	-60.8	-174	0	0	0	109.5	M65 I179 F191 W193 V219 S220	M65-L233 HydrophobicContact CB-CD1 3.91Å; M65-L233 HydrophobicContact CG-CD1 3.91Å; M65-L233 HydrophobicContact SD-CD1 3.75Å; I179-L233 HydrophobicContact CB-CB 4.38Å; I179-L233 PolarHBondContact N-O 3.47Å; I179-L233 PolarHBondContact O-N 3.46Å; F191-L233 HydrophobicContact CB-CD1 3.94Å; F191-L233 HydrophobicContact CB-CD2 4.06Å; F191-L233 HydrophobicContact CB-CG 3.73Å; W193-L233 HydrophobicContact CD2-CD1 4.03Å; W193-L233 HydrophobicContact CE3-CD1 4.33Å; W193-L233 HydrophobicContact CG-CD1 4.46Å; W193-L233 HydrophobicContact CH2-CB 4.3Å; W193-L233 HydrophobicContact CZ2-CB 3.66Å; W193-L233 HydrophobicContact CZ2-CD1 4.26Å; W193-L233 HydrophobicContact CZ2-CG 4.46Å; V219-L233 WeakPolarHBondContact O-CA 3.38Å; S220-L233 WeakPolarHBondContact OG-CD2 3.45Å
234	S	95.6	Very high	94.9	Very high	5 Å²	5	48.9 Å²	48.9	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.2	177.9	-174.1	0	0	0	0	110.4	L177 V219	L177-S234 WeakPolarHBondContact O-CA 3.37Å; V219-S234 PolarHBondContact N-O 3.03Å; V219-S234 PolarHBondContact O-N 3.49Å
235	L	95	Very high	94.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.9	170	176	57.2	0	0	0	108.4	I67 T176 L177 W193 V200 Y216 M218 F237	I67-L235 HydrophobicContact CD1-CD2 4.22Å; T176-L235 CarbonylContact C-O 3.52Å; T176-L235 VanDerWaalsContact CA-O 3.3Å; T176-L235 WeakPolarHBondContact CA-O 3.49Å; L177-L235 HydrophobicContact CB-CB 4.36Å; L177-L235 PolarHBondContact N-O 3.08Å; L177-L235 PolarHBondContact O-N 3.44Å; W193-L235 HydrophobicContact CH2-CB 4.22Å; W193-L235 HydrophobicContact CZ2-CB 4.47Å; V200-L235 HydrophobicContact CG1-CD1 4.23Å; V200-L235 HydrophobicContact CG1-CD2 4.08Å; V200-L235 HydrophobicContact CG2-CD1 4.03Å; V200-L235 HydrophobicContact CG2-CD2 4.18Å; Y216-L235 HydrophobicContact CD2-CD1 4.21Å; M218-L235 HydrophobicContact CG-CD1 4.17Å; L235-F237 HydrophobicContact CD1-CE1 4.43Å; L235-F237 HydrophobicContact CD1-CZ 4.38Å; L235-F237 HydrophobicContact CD2-CE1 4.13Å; L235-F237 HydrophobicContact CD2-CE2 3.93Å; L235-F237 HydrophobicContact CD2-CZ 3.41Å; L235-F237 VanDerWaalsContact CD2-CZ 3.41Å; L235-F237 HydrophobicContact CG-CE1 4.22Å; L235-F237 HydrophobicContact CG-CE2 3.9Å; L235-F237 HydrophobicContact CG-CZ 3.69Å
236	S	94.5	Very high	94.6	Very high	28 Å²	28	41.6 Å²	41.6	20%	0.196	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.8	-177.9	-58	0	0	0	0	110.4	T176 Y216 K217	T176-S236 WeakPolarHBondContact CG2-OG 3.43Å; Y216-S236 CarbonylContact C-O 3.58Å; Y216-S236 WeakPolarHBondContact CA-O 3.35Å; K217-S236 PolarHBondContact N-O 3.08Å; K217-S236 PolarHBondContact O-N 3.28Å
237	F	94	Very high	94.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.5	174.1	-57.4	-78.6	0	0	0	110.3	V69 N174 C175 V203 L235 L239	V69-F237 HydrophobicContact CG2-CZ 4.38Å; N174-F237 WeakPolarHBondContact CA-O 3.06Å; C175-F237 PolarHBondContact N-O 3.07Å; C175-F237 PolarHBondContact O-N 3.42Å; V203-F237 HydrophobicContact CG1-CE1 4.48Å; V203-F237 HydrophobicContact CG2-CE1 4.2Å; L235-F237 HydrophobicContact CD1-CE1 4.43Å; L235-F237 HydrophobicContact CD1-CZ 4.38Å; L235-F237 HydrophobicContact CD2-CE1 4.13Å; L235-F237 HydrophobicContact CD2-CE2 3.93Å; L235-F237 HydrophobicContact CD2-CZ 3.41Å; L235-F237 VanDerWaalsContact CD2-CZ 3.41Å; L235-F237 HydrophobicContact CG-CE1 4.22Å; L235-F237 HydrophobicContact CG-CE2 3.9Å; L235-F237 HydrophobicContact CG-CZ 3.69Å; F237-L239 HydrophobicContact CB-CD2 4.37Å; F237-L239 HydrophobicContact CB-CG 4.46Å
238	R	95	Very high	94.4	Very high	80 Å²	80	38.5 Å²	38.5	30%	0.302	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	104.9	168.8	-172.7	-178.9	-62.4	173.6	0.5	109.4	V214 D215	V214-R238 HydrophobicContact CB-CB 4.38Å; V214-R238 HydrophobicContact CB-CG 4.21Å; V214-R238 PolarHBondContact N-O 3Å; D215-R238 PolarHBondContact O-N 3.03Å
239	L	94.6	Very high	94.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.1	179.8	-58.1	176.8	0	0	0	109.7	V75 E172 Q173 C175 L208 F211 I213 F237	V75-L239 HydrophobicContact CG2-CD1 4.26Å; E172-L239 CarbonylContact C-O 3.4Å; E172-L239 WeakPolarHBondContact CA-O 3.18Å; Q173-L239 HydrophobicContact CB-CB 4.4Å; Q173-L239 PolarHBondContact N-O 2.94Å; Q173-L239 PolarHBondContact O-N 2.66Å; C175-L239 HydrophobicContact CB-CD1 4.39Å; L208-L239 HydrophobicContact CD1-CD2 4.15Å; F211-L239 HydrophobicContact CD1-CB 4.05Å; I213-L239 HydrophobicContact CG1-CD2 3.89Å; F237-L239 HydrophobicContact CB-CD2 4.37Å; F237-L239 HydrophobicContact CB-CG 4.46Å
240	K	94.7	Very high	94	Very high	100 Å²	100	39.4 Å²	39.4	44%	0.435	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.5	173.8	177.7	170.9	-173.9	160.1	0	110.1	E172 F211 S212 V214	E172-K240 HydrophobicContact CG-CB 4.33Å; E172-K240 HydrophobicContact CG-CG 4.3Å; E172-K240 IonicContact OE1-NZ 3.67Å; F211-K240 CarbonylContact C-O 3.49Å; F211-K240 WeakPolarHBondContact CA-O 2.96Å; S212-K240 PolarHBondContact N-O 2.94Å; S212-K240 PolarHBondContact O-N 3.31Å; S212-K240 PolarHBondContact OG-O 2.68Å; S212-K240 VanDerWaalsContact OG-O 3.13Å; V214-K240 HydrophobicContact CG2-CB 3.42Å; V214-K240 VanDerWaalsContact CG2-CB 3.42Å; V214-K240 HydrophobicContact CG2-CD 4.06Å; V214-K240 HydrophobicContact CG2-CG 4.41Å
241	R	94.9	Very high	93.9	Very high	10 Å²	10	38.6 Å²	38.6	4%	0.038	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.5	-178.4	-167.7	177.9	-56.6	-81.4	-0.7	111.9	E77 P169 D171 F211 I243 F246	E77-R241 IonicContact OE1-CZ 2.76Å; E77-R241 IonicContact OE1-NH1 3.53Å; E77-R241 PolarHBondContact OE1-NH1 3.16Å; E77-R241 IonicContact OE1-NH2 3.53Å; E77-R241 PolarHBondContact OE1-NH2 2.91Å; P169-R241 WeakPolarHBondContact O-CD 3.34Å; D171-R241 PolarHBondContact O-N 3.42Å; D171-R241 WeakPolarHBondContact OD1-CD 3.44Å; D171-R241 IonicContact OD1-CZ 3.87Å; D171-R241 IonicContact OD1-NE 3.86Å; D171-R241 PolarHBondContact OD1-NE 3.21Å; D171-R241 IonicContact OD1-NH2 3.64Å; D171-R241 IonicContact OD2-CZ 2.77Å; D171-R241 IonicContact OD2-NE 3.1Å; D171-R241 PolarHBondContact OD2-NE 3.27Å; D171-R241 IonicContact OD2-NH2 3.09Å; D171-R241 PolarHBondContact OD2-NH2 3.34Å; F211-R241 HydrophobicContact CD1-CB 4.21Å; F211-R241 HydrophobicContact CE1-CB 4.14Å; F211-R241 HydrophobicContact CE1-CG 4.32Å; F211-R241 VanDerWaalsContact CZ-CZ 3.42Å; R241-I243 PolarHBondContact O-N 3.41Å; R241-F246 HydrophobicContact CG-CE2 4.12Å
242	N	93.7	Very high	93.8	Very high	67 Å²	67	42.8 Å²	42.8	36%	0.358	21%	0.213	S	C	.	.			trans	-80.3	117.2	173.9	-66.6	-25.3	0	0	0	110	Q210 S212	Q210-N242 WeakPolarHBondContact O-CB 3.26Å; Q210-N242 PolarHBondContact O-N 3.1Å; S212-N242 PolarHBondContact OG-OD1 2.89Å
243	I	92.6	Very high	93.7	Very high	45 Å²	45	43.8 Å²	43.8	23%	0.231	22%	0.223	C	C	.	.			trans	-79.3	-17.9	-172.1	-166.4	61.8	0	0	0	114.2	P169 L170 R241 Y245 F246 I247 Y251	P169-I243 HydrophobicContact CB-CD1 4.12Å; P169-I243 HydrophobicContact CG-CD1 3.52Å; L170-I243 HydrophobicContact CD2-CB 4.43Å; L170-I243 HydrophobicContact CD2-CD1 3.65Å; L170-I243 HydrophobicContact CD2-CG1 3.82Å; L170-I243 HydrophobicContact CG-CD1 3.98Å; R241-I243 PolarHBondContact O-N 3.41Å; I243-Y245 VanDerWaalsContact C-N 3.33Å; I243-Y245 PolarHBondContact O-N 3.48Å; I243-F246 HydrophobicContact CD1-CB 4.22Å; I243-F246 PolarHBondContact O-N 3.48Å; I243-F246 VanDerWaalsContact O-N 3.07Å; I243-I247 HydrophobicContact CG1-CD1 4.05Å; I243-I247 HydrophobicContact CG1-CG1 4.03Å; I243-I247 HydrophobicContact CG2-CD1 3.93Å; I243-I247 PolarHBondContact O-N 3.22Å; I243-I247 VanDerWaalsContact O-N 3.08Å; I243-Y251 HydrophobicContact CD1-CE2 4.29Å
244	G	90.8	Very high	93.6	Very high	42 Å²	42	43.8 Å²	43.8	43%	0.433	22%	0.223	S	C	.	.	H	α-helix	trans	-58	-38.2	-169.3	0	0	0	0	0	114.8	I247 L248	G244-I247 PolarHBondContact O-N 3.07Å; G244-L248 PolarHBondContact O-N 3.08Å
245	Y	91.7	Very high	93.5	Very high	121 Å²	121	45 Å²	45	48%	0.475	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-47.3	175.5	174.9	-105.5	0	0	0	112.1	I243 I247 L248 Q249	I243-Y245 VanDerWaalsContact C-N 3.33Å; I243-Y245 PolarHBondContact O-N 3.48Å; Y245-I247 VanDerWaalsContact C-N 3.32Å; Y245-I247 PolarHBondContact O-N 3.3Å; Y245-L248 PolarHBondContact O-N 3.39Å; Y245-Q249 VanDerWaalsContact CZ-CD 3.49Å; Y245-Q249 WeakPolarHBondContact O-CB 3.47Å; Y245-Q249 PolarHBondContact O-N 3.41Å; Y245-Q249 VanDerWaalsContact OH-CD 3.27Å; Y245-Q249 PolarHBondContact OH-NE2 2.93Å; Y245-Q249 PolarHBondContact OH-OE1 2.96Å
246	F	92.4	Very high	93.5	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-32.2	-178.8	-62.2	-75	0	0	0	112.6	Y168 P169 R241 I243 T250 Y251	Y168-F246 HydrophobicContact CE1-CE1 4.23Å; Y168-F246 HydrophobicContact CE2-CZ 4.48Å; Y168-F246 AromaticContact CZ-CE1 3.81Å; Y168-F246 AromaticContact CZ-CZ 3.87Å; Y168-F246 WeakPolarHBondContact OH-CE1 3.45Å; Y168-F246 WeakPolarHBondContact OH-CZ 3.49Å; P169-F246 HydrophobicContact CB-CB 4.41Å; P169-F246 HydrophobicContact CB-CD1 4.12Å; P169-F246 HydrophobicContact CB-CD2 3.54Å; P169-F246 HydrophobicContact CB-CE1 4.33Å; P169-F246 HydrophobicContact CB-CE2 3.77Å; P169-F246 HydrophobicContact CB-CG 3.74Å; P169-F246 HydrophobicContact CB-CZ 4.16Å; P169-F246 HydrophobicContact CG-CB 3.88Å; P169-F246 HydrophobicContact CG-CD1 4.17Å; P169-F246 HydrophobicContact CG-CD2 3.96Å; P169-F246 HydrophobicContact CG-CG 3.71Å; R241-F246 HydrophobicContact CG-CE2 4.12Å; I243-F246 HydrophobicContact CD1-CB 4.22Å; I243-F246 PolarHBondContact O-N 3.48Å; I243-F246 VanDerWaalsContact O-N 3.07Å; F246-T250 PolarHBondContact O-N 3.37Å; F246-Y251 HydrophobicContact CB-CD2 4.37Å; F246-Y251 HydrophobicContact CB-CE2 4.22Å; F246-Y251 WeakPolarHBondContact O-CD2 3.38Å; F246-Y251 PolarHBondContact O-N 3.47Å; F246-Y251 VanDerWaalsContact O-N 3.09Å
247	I	93.1	Very high	93.5	Very high	61 Å²	61	49 Å²	49	31%	0.313	25%	0.248	S	C	.	.	I	π-helix	trans	-59.9	-50.2	174.6	-68.9	170.7	0	0	0	110.2	I243 G244 Y245 Y251 M252 W469	I243-I247 HydrophobicContact CG1-CD1 4.05Å; I243-I247 HydrophobicContact CG1-CG1 4.03Å; I243-I247 HydrophobicContact CG2-CD1 3.93Å; I243-I247 PolarHBondContact O-N 3.22Å; I243-I247 VanDerWaalsContact O-N 3.08Å; G244-I247 PolarHBondContact O-N 3.07Å; Y245-I247 VanDerWaalsContact C-N 3.32Å; Y245-I247 PolarHBondContact O-N 3.3Å; I247-Y251 HydrophobicContact CG1-CD2 4.39Å; I247-Y251 PolarHBondContact O-N 3.48Å; I247-M252 HydrophobicContact CG2-CG 4.24Å; I247-M252 VanDerWaalsContact O-CB 3.28Å; I247-M252 WeakPolarHBondContact O-CB 3.32Å; I247-M252 WeakPolarHBondContact O-CG 3.4Å; I247-M252 PolarHBondContact O-N 2.83Å; I247-W469 HydrophobicContact CG1-CH2 4.49Å
248	L	92.5	Very high	93.6	Very high	128 Å²	128	48.9 Å²	48.9	67%	0.67	25%	0.248	S	C	*	.	I	π-helix	trans	-74.3	-36.1	-176.5	-67.1	174.6	0	0	0	112.9	G244 Y245 P253	G244-L248 PolarHBondContact O-N 3.08Å; Y245-L248 PolarHBondContact O-N 3.39Å; L248-P253 VanDerWaalsContact O-CD 3.26Å; L248-P253 WeakPolarHBondContact O-CD 3.3Å
249	Q	90.3	Very high	93.5	Very high	74 Å²	74	48.6 Å²	48.6	35%	0.346	25%	0.252	S	S	.	.	I	π-helix	trans	-89.2	-31.2	-173.6	-162.1	-171.9	27.2	0	0	113.9	Y245 P253	Y245-Q249 VanDerWaalsContact CZ-CD 3.49Å; Y245-Q249 WeakPolarHBondContact O-CB 3.47Å; Y245-Q249 PolarHBondContact O-N 3.41Å; Y245-Q249 VanDerWaalsContact OH-CD 3.27Å; Y245-Q249 PolarHBondContact OH-NE2 2.93Å; Y245-Q249 PolarHBondContact OH-OE1 2.96Å; Q249-P253 WeakPolarHBondContact O-CG 3.43Å
250	T	92.4	Very high	93.4	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.037	28%	0.276	C	S	.	.	I	π-helix	trans	-119.2	-58.2	-174.9	-47.1	0	0	0	0	112.3	F246 M252 S254 I289 I306 L310	F246-T250 PolarHBondContact O-N 3.37Å; T250-M252 PolarHBondContact O-N 3.43Å; T250-S254 WeakPolarHBondContact O-CB 3.07Å; T250-S254 PolarHBondContact O-N 3Å; T250-S254 VanDerWaalsContact O-N 3.07Å; T250-S254 PolarHBondContact O-OG 3.46Å; T250-S254 VanDerWaalsContact O-OG 3.11Å; T250-I289 HydrophobicContact CG2-CG2 4.33Å; T250-I306 HydrophobicContact CG2-CD1 4.02Å; T250-I306 HydrophobicContact CG2-CG1 4.36Å; T250-L310 HydrophobicContact CG2-CD1 4.46Å; T250-L310 HydrophobicContact CG2-CD2 3.98Å; T250-L310 HydrophobicContact CG2-CG 4.49Å
251	Y	94	Very high	93.3	Very high	5 Å²	5	48.6 Å²	48.6	2%	0.02	26%	0.256	C	S	.	.	I	π-helix	trans	-64.8	-46.3	-172.9	-68.6	-80.2	0	0	0	112.8	P169 I243 F246 I247 T255 Y309 Y468 W469	P169-Y251 HydrophobicContact CG-CE2 4.2Å; I243-Y251 HydrophobicContact CD1-CE2 4.29Å; F246-Y251 HydrophobicContact CB-CD2 4.37Å; F246-Y251 HydrophobicContact CB-CE2 4.22Å; F246-Y251 WeakPolarHBondContact O-CD2 3.38Å; F246-Y251 PolarHBondContact O-N 3.47Å; F246-Y251 VanDerWaalsContact O-N 3.09Å; I247-Y251 HydrophobicContact CG1-CD2 4.39Å; I247-Y251 PolarHBondContact O-N 3.48Å; Y251-T255 VanDerWaalsContact O-CB 3.31Å; Y251-T255 WeakPolarHBondContact O-CB 3.38Å; Y251-T255 PolarHBondContact O-N 2.72Å; Y251-T255 PolarHBondContact O-OG1 3.43Å; Y251-Y309 AromaticContact CD1-CD1 3.53Å; Y251-Y309 HydrophobicContact CD1-CD1 3.53Å; Y251-Y309 HydrophobicContact CD1-CD2 4.08Å; Y251-Y309 AromaticContact CD1-CE1 3.44Å; Y251-Y309 HydrophobicContact CD1-CE1 3.44Å; Y251-Y309 VanDerWaalsContact CD1-CE1 3.44Å; Y251-Y309 AromaticContact CD1-CE2 3.99Å; Y251-Y309 HydrophobicContact CD1-CE2 3.99Å; Y251-Y309 AromaticContact CD1-CG 3.86Å; Y251-Y309 HydrophobicContact CD1-CG 3.86Å; Y251-Y309 AromaticContact CD1-CZ 3.68Å; Y251-Y309 AromaticContact CE1-CD1 3.69Å; Y251-Y309 HydrophobicContact CE1-CD1 3.69Å; Y251-Y309 AromaticContact CE1-CD2 3.91Å; Y251-Y309 HydrophobicContact CE1-CD2 3.91Å; Y251-Y309 HydrophobicContact CE1-CE1 4.08Å; Y251-Y309 HydrophobicContact CE1-CE2 4.27Å; Y251-Y309 AromaticContact CE1-CG 3.6Å; Y251-Y309 HydrophobicContact CE1-CG 3.6Å; Y251-Y309 HydrophobicContact CG-CE1 4.38Å; Y251-Y468 AromaticContact CE1-CE1 3.72Å; Y251-Y468 HydrophobicContact CE1-CE1 3.72Å; Y251-Y468 PolarHBondContact OH-OH 2.94Å; Y251-W469 HydrophobicContact CD1-CH2 4.22Å; Y251-W469 AromaticContact CD1-CZ2 3.88Å; Y251-W469 HydrophobicContact CD1-CZ2 3.88Å; Y251-W469 HydrophobicContact CD2-CH2 4.25Å; Y251-W469 HydrophobicContact CE1-CH2 4.25Å; Y251-W469 HydrophobicContact CE1-CZ2 4.17Å; Y251-W469 HydrophobicContact CE2-CH2 4.26Å; Y251-W469 HydrophobicContact CG-CH2 4.24Å; Y251-W469 HydrophobicContact CG-CZ2 4.13Å
252	M	94.2	Very high	93.2	Very high	94 Å²	94	49.9 Å²	49.9	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-53.6	179.5	-85.9	-77.3	-82.3	0	0	112	I247 T250 S254 T255 L256	I247-M252 HydrophobicContact CG2-CG 4.24Å; I247-M252 VanDerWaalsContact O-CB 3.28Å; I247-M252 WeakPolarHBondContact O-CB 3.32Å; I247-M252 WeakPolarHBondContact O-CG 3.4Å; I247-M252 PolarHBondContact O-N 2.83Å; T250-M252 PolarHBondContact O-N 3.43Å; M252-S254 PolarHBondContact O-N 2.77Å; M252-T255 PolarHBondContact O-N 3.21Å; M252-L256 VanDerWaalsContact O-CG 3.3Å; M252-L256 WeakPolarHBondContact O-CG 3.16Å; M252-L256 PolarHBondContact O-N 3.17Å
253	P	94.9	Very high	93	Very high	42 Å²	42	49.8 Å²	49.8	27%	0.273	26%	0.263	S	S	.	.	H	α-helix	trans	-57.4	-45.8	176	-28.9	37.6	0	0	0	113.5	L248 Q249 T255 L256 I257 I289	L248-P253 VanDerWaalsContact O-CD 3.26Å; L248-P253 WeakPolarHBondContact O-CD 3.3Å; Q249-P253 WeakPolarHBondContact O-CG 3.43Å; P253-T255 VanDerWaalsContact C-N 3.34Å; P253-T255 PolarHBondContact O-N 2.83Å; P253-L256 PolarHBondContact O-N 3.35Å; P253-I257 WeakPolarHBondContact O-CB 3.41Å; P253-I257 WeakPolarHBondContact O-CD1 3.21Å; P253-I257 VanDerWaalsContact O-CG1 3.22Å; P253-I257 WeakPolarHBondContact O-CG1 3.4Å; P253-I257 PolarHBondContact O-N 3.39Å; P253-I289 HydrophobicContact CB-CD1 4.17Å
254	S	94.7	Very high	92.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-37.4	179	-64.9	0	0	0	0	112.9	T250 M252 T258 L310	T250-S254 WeakPolarHBondContact O-CB 3.07Å; T250-S254 PolarHBondContact O-N 3Å; T250-S254 VanDerWaalsContact O-N 3.07Å; T250-S254 PolarHBondContact O-OG 3.46Å; T250-S254 VanDerWaalsContact O-OG 3.11Å; M252-S254 PolarHBondContact O-N 2.77Å; S254-T258 PolarHBondContact O-N 3.05Å; S254-T258 VanDerWaalsContact O-N 3.08Å; S254-T258 PolarHBondContact O-OG1 2.9Å; S254-L310 VanDerWaalsContact OG-CD2 3.24Å; S254-L310 WeakPolarHBondContact OG-CD2 3.05Å
255	T	94.1	Very high	92.8	Very high	31 Å²	31	46 Å²	46	19%	0.19	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-48.9	173.7	-60.9	0	0	0	0	111.1	Y251 M252 P253 I257 T258 I259 Y309 F461	Y251-T255 VanDerWaalsContact O-CB 3.31Å; Y251-T255 WeakPolarHBondContact O-CB 3.38Å; Y251-T255 PolarHBondContact O-N 2.72Å; Y251-T255 PolarHBondContact O-OG1 3.43Å; M252-T255 PolarHBondContact O-N 3.21Å; P253-T255 VanDerWaalsContact C-N 3.34Å; P253-T255 PolarHBondContact O-N 2.83Å; T255-I257 PolarHBondContact O-N 3.37Å; T255-T258 WeakPolarHBondContact O-CB 3.48Å; T255-T258 PolarHBondContact O-N 3.34Å; T255-I259 HydrophobicContact CG2-CD1 3.98Å; T255-I259 WeakPolarHBondContact O-CG1 3.27Å; T255-I259 PolarHBondContact O-N 3.5Å; T255-Y309 PolarHBondContact OG1-OH 3.21Å; T255-F461 HydrophobicContact CG2-CE1 4.03Å; T255-F461 HydrophobicContact CG2-CZ 4.24Å
256	L	94.9	Very high	92.6	Very high	94 Å²	94	48.7 Å²	48.7	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-62.9	-40.6	-179.8	-69.7	173.7	0	0	0	112	M252 P253 T258 I259 L260	M252-L256 VanDerWaalsContact O-CG 3.3Å; M252-L256 WeakPolarHBondContact O-CG 3.16Å; M252-L256 PolarHBondContact O-N 3.17Å; P253-L256 PolarHBondContact O-N 3.35Å; L256-T258 VanDerWaalsContact C-N 3.31Å; L256-T258 PolarHBondContact O-N 3.13Å; L256-I259 PolarHBondContact O-N 3.13Å; L256-L260 WeakPolarHBondContact O-CB 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 2.82Å
257	I	95.2	Very high	92.4	Very high	17 Å²	17	50.3 Å²	50.3	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-40.1	175.3	-68.9	159.7	0	0	0	111.1	P253 T255 I259 L260 S261 T282 T285 M286 I289	P253-I257 WeakPolarHBondContact O-CB 3.41Å; P253-I257 WeakPolarHBondContact O-CD1 3.21Å; P253-I257 VanDerWaalsContact O-CG1 3.22Å; P253-I257 WeakPolarHBondContact O-CG1 3.4Å; P253-I257 PolarHBondContact O-N 3.39Å; T255-I257 PolarHBondContact O-N 3.37Å; I257-I259 VanDerWaalsContact C-N 3.34Å; I257-L260 PolarHBondContact O-N 2.9Å; I257-S261 PolarHBondContact O-N 2.79Å; I257-T282 HydrophobicContact CG2-CG2 4.21Å; I257-T285 HydrophobicContact CD1-CG2 3.4Å; I257-T285 HydrophobicContact CG1-CG2 4.12Å; I257-M286 HydrophobicContact CB-SD 4.25Å; I257-M286 HydrophobicContact CD1-SD 4.39Å; I257-M286 HydrophobicContact CG2-CG 3.82Å; I257-M286 HydrophobicContact CG2-SD 3.98Å; I257-I289 HydrophobicContact CD1-CD1 3.29Å
258	T	94.2	Very high	92.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-42.7	175.9	-53.4	0	0	0	0	110.7	S254 T255 L256 S261 W262 F316 V317 F461	S254-T258 PolarHBondContact O-N 3.05Å; S254-T258 VanDerWaalsContact O-N 3.08Å; S254-T258 PolarHBondContact O-OG1 2.9Å; T255-T258 WeakPolarHBondContact O-CB 3.48Å; T255-T258 PolarHBondContact O-N 3.34Å; L256-T258 VanDerWaalsContact C-N 3.31Å; L256-T258 PolarHBondContact O-N 3.13Å; T258-S261 WeakPolarHBondContact O-CB 3.29Å; T258-S261 PolarHBondContact O-N 2.9Å; T258-S261 PolarHBondContact O-OG 2.91Å; T258-W262 HydrophobicContact CG2-CZ2 4.25Å; T258-W262 PolarHBondContact O-NE1 3.05Å; T258-F316 HydrophobicContact CG2-CB 3.85Å; T258-V317 HydrophobicContact CG2-CG2 4.49Å; T258-F461 HydrophobicContact CG2-CD2 3.82Å; T258-F461 HydrophobicContact CG2-CE2 3.69Å; T258-F461 HydrophobicContact CG2-CG 4.32Å; T258-F461 HydrophobicContact CG2-CZ 4.08Å
259	I	93.5	Very high	91.6	Very high	75 Å²	75	48.9 Å²	48.9	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-40.2	174.8	-64.7	166.5	0	0	0	111.4	T255 L256 I257 S261 W262	T255-I259 HydrophobicContact CG2-CD1 3.98Å; T255-I259 WeakPolarHBondContact O-CG1 3.27Å; T255-I259 PolarHBondContact O-N 3.5Å; L256-I259 PolarHBondContact O-N 3.13Å; I257-I259 VanDerWaalsContact C-N 3.34Å; I259-S261 PolarHBondContact O-N 3.5Å; I259-W262 HydrophobicContact CB-CE3 4.49Å; I259-W262 HydrophobicContact CG1-CE3 4.36Å; I259-W262 HydrophobicContact CG1-CH2 4.28Å; I259-W262 HydrophobicContact CG1-CZ3 4.01Å; I259-W262 HydrophobicContact CG2-CE3 4.39Å; I259-W262 WeakPolarHBondContact O-CB 3.27Å; I259-W262 PolarHBondContact O-N 2.79Å
260	L	93.3	Very high	91.2	Very high	99 Å²	99	50.8 Å²	50.8	52%	0.518	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-33	176	-75.9	173	0	0	0	112.3	L256 I257 W262 V263	L256-L260 WeakPolarHBondContact O-CB 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 2.82Å; I257-L260 PolarHBondContact O-N 2.9Å; L260-W262 PolarHBondContact O-N 2.86Å; L260-V263 HydrophobicContact CD2-CG2 4.5Å; L260-V263 VanDerWaalsContact O-CB 3.3Å; L260-V263 WeakPolarHBondContact O-CB 3.5Å; L260-V263 WeakPolarHBondContact O-CG2 3.39Å; L260-V263 PolarHBondContact O-N 2.81Å; L260-V263 VanDerWaalsContact O-N 3.16Å
261	S	92.8	Very high	91	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-28.6	175.1	79.7	0	0	0	0	112.7	I257 T258 I259 V263 S264	I257-S261 PolarHBondContact O-N 2.79Å; T258-S261 WeakPolarHBondContact O-CB 3.29Å; T258-S261 PolarHBondContact O-N 2.9Å; T258-S261 PolarHBondContact O-OG 2.91Å; I259-S261 PolarHBondContact O-N 3.5Å; S261-V263 VanDerWaalsContact C-N 3.27Å; S261-V263 PolarHBondContact O-N 2.99Å; S261-S264 WeakPolarHBondContact O-CB 3.4Å; S261-S264 PolarHBondContact O-N 2.8Å; S261-S264 PolarHBondContact O-OG 2.05Å
262	W	91.5	Very high	90.7	Very high	37 Å²	37	54.8 Å²	54.8	14%	0.14	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-76.3	-13.8	179.2	-53.1	-16	0	0	0	113.6	T258 I259 L260 S264 F265 P458 F461	T258-W262 HydrophobicContact CG2-CZ2 4.25Å; T258-W262 PolarHBondContact O-NE1 3.05Å; I259-W262 HydrophobicContact CB-CE3 4.49Å; I259-W262 HydrophobicContact CG1-CE3 4.36Å; I259-W262 HydrophobicContact CG1-CH2 4.28Å; I259-W262 HydrophobicContact CG1-CZ3 4.01Å; I259-W262 HydrophobicContact CG2-CE3 4.39Å; I259-W262 WeakPolarHBondContact O-CB 3.27Å; I259-W262 PolarHBondContact O-N 2.79Å; L260-W262 PolarHBondContact O-N 2.86Å; W262-S264 PolarHBondContact O-N 2.76Å; W262-F265 HydrophobicContact CB-CD2 3.87Å; W262-F265 HydrophobicContact CB-CE2 3.9Å; W262-F265 AromaticContact CD1-CE2 3.73Å; W262-F265 HydrophobicContact CG-CD2 4.42Å; W262-F265 AromaticContact CG-CE2 3.99Å; W262-F265 HydrophobicContact CG-CE2 3.99Å; W262-F265 WeakPolarHBondContact O-CB 3.31Å; W262-F265 WeakPolarHBondContact O-CD2 3.38Å; W262-F265 PolarHBondContact O-N 2.9Å; W262-F265 VanDerWaalsContact O-N 3.13Å; W262-P458 HydrophobicContact CD2-CG 4.19Å; W262-P458 HydrophobicContact CE3-CB 4.2Å; W262-P458 HydrophobicContact CE3-CG 3.69Å; W262-P458 VanDerWaalsContact CH2-CA 3.45Å; W262-P458 HydrophobicContact CH2-CB 3.84Å; W262-P458 HydrophobicContact CH2-CG 4.14Å; W262-P458 HydrophobicContact CZ3-CB 3.62Å; W262-P458 HydrophobicContact CZ3-CG 3.66Å; W262-F461 HydrophobicContact CH2-CB 3.96Å; W262-F461 AromaticContact CH2-CD1 3.7Å; W262-F461 HydrophobicContact CH2-CD1 3.7Å; W262-F461 HydrophobicContact CH2-CG 4.09Å; W262-F461 HydrophobicContact CZ2-CB 3.59Å; W262-F461 AromaticContact CZ2-CD1 3.83Å; W262-F461 HydrophobicContact CZ2-CD1 3.83Å; W262-F461 AromaticContact CZ2-CG 3.79Å; W262-F461 HydrophobicContact CZ2-CG 3.79Å
263	V	91.2	Very high	90.5	Very high	65 Å²	65	54 Å²	54	39%	0.394	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-60.3	-29.3	173.5	179.9	0	0	0	0	110.4	L260 S261 F265 W266 I267	L260-V263 HydrophobicContact CD2-CG2 4.5Å; L260-V263 VanDerWaalsContact O-CB 3.3Å; L260-V263 WeakPolarHBondContact O-CB 3.5Å; L260-V263 WeakPolarHBondContact O-CG2 3.39Å; L260-V263 PolarHBondContact O-N 2.81Å; L260-V263 VanDerWaalsContact O-N 3.16Å; S261-V263 VanDerWaalsContact C-N 3.27Å; S261-V263 PolarHBondContact O-N 2.99Å; V263-F265 PolarHBondContact O-N 3.18Å; V263-W266 PolarHBondContact O-N 2.98Å; V263-I267 HydrophobicContact CG1-CD1 4.45Å; V263-I267 PolarHBondContact O-N 2.92Å
264	S	88.9	Confident	90.4	Very high	6 Å²	6	54 Å²	54	4%	0.042	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-58	-30.4	176.3	66	0	0	0	0	113.6	S261 W262 W266 I267 R275	S261-S264 WeakPolarHBondContact O-CB 3.4Å; S261-S264 PolarHBondContact O-N 2.8Å; S261-S264 PolarHBondContact O-OG 2.05Å; W262-S264 PolarHBondContact O-N 2.76Å; S264-W266 VanDerWaalsContact C-N 3.26Å; S264-W266 PolarHBondContact O-N 3.47Å; S264-I267 PolarHBondContact O-N 2.67Å; S264-R275 PolarHBondContact O-NE 3.16Å
265	F	88.8	Confident	90.3	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-73	-17.1	178.7	-50.3	-39.2	0	0	0	113.5	W262 V263 A320 E323 R454 F457	W262-F265 HydrophobicContact CB-CD2 3.87Å; W262-F265 HydrophobicContact CB-CE2 3.9Å; W262-F265 AromaticContact CD1-CE2 3.73Å; W262-F265 HydrophobicContact CG-CD2 4.42Å; W262-F265 AromaticContact CG-CE2 3.99Å; W262-F265 HydrophobicContact CG-CE2 3.99Å; W262-F265 WeakPolarHBondContact O-CB 3.31Å; W262-F265 WeakPolarHBondContact O-CD2 3.38Å; W262-F265 PolarHBondContact O-N 2.9Å; W262-F265 VanDerWaalsContact O-N 3.13Å; V263-F265 PolarHBondContact O-N 3.18Å; F265-A320 HydrophobicContact CE1-CB 4.27Å; F265-A320 HydrophobicContact CZ-CB 3.89Å; F265-E323 HydrophobicContact CD1-CG 4.36Å; F265-E323 HydrophobicContact CE1-CB 4.09Å; F265-E323 HydrophobicContact CE1-CG 3.85Å; F265-R454 HydrophobicContact CB-CG 3.83Å; F265-R454 VanDerWaalsContact O-CZ 3.28Å; F265-R454 PolarHBondContact O-NE 2.75Å; F265-R454 PolarHBondContact O-NH2 3.28Å; F265-F457 HydrophobicContact CE1-CE2 4.32Å; F265-F457 HydrophobicContact CE2-CB 3.91Å; F265-F457 HydrophobicContact CE2-CD1 4.28Å; F265-F457 AromaticContact CE2-CD2 3.78Å; F265-F457 HydrophobicContact CE2-CD2 3.78Å; F265-F457 HydrophobicContact CE2-CE2 4.32Å; F265-F457 AromaticContact CE2-CG 3.74Å; F265-F457 HydrophobicContact CE2-CG 3.74Å; F265-F457 HydrophobicContact CZ-CB 4.44Å; F265-F457 HydrophobicContact CZ-CD1 4.02Å; F265-F457 AromaticContact CZ-CD2 3.61Å; F265-F457 HydrophobicContact CZ-CD2 3.61Å; F265-F457 HydrophobicContact CZ-CE1 4.08Å; F265-F457 AromaticContact CZ-CE2 3.68Å; F265-F457 HydrophobicContact CZ-CE2 3.68Å; F265-F457 AromaticContact CZ-CG 3.78Å; F265-F457 HydrophobicContact CZ-CG 3.78Å; F265-F457 AromaticContact CZ-CZ 3.91Å; F265-F457 HydrophobicContact CZ-CZ 3.91Å
266	W	88.4	Confident	90.2	Very high	177 Å²	177	54.9 Å²	54.9	67%	0.67	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-19.9	179.3	-69.8	94.4	0	0	0	113.2	V263 S264	V263-W266 PolarHBondContact O-N 2.98Å; S264-W266 VanDerWaalsContact C-N 3.26Å; S264-W266 PolarHBondContact O-N 3.47Å
267	I	88.6	Confident	90.2	Very high	41 Å²	41	52.9 Å²	52.9	21%	0.21	30%	0.3	C	S	.	.	S	Bend	trans	-76.2	137.9	177.5	-65.4	172.2	0	0	0	108.5	V263 S264 A271 A274 R275 L278	V263-I267 HydrophobicContact CG1-CD1 4.45Å; V263-I267 PolarHBondContact O-N 2.92Å; S264-I267 PolarHBondContact O-N 2.67Å; I267-A271 HydrophobicContact CG2-CB 3.76Å; I267-A274 HydrophobicContact CG2-CB 4.5Å; I267-R275 HydrophobicContact CB-CG 4.19Å; I267-R275 HydrophobicContact CG2-CG 4.03Å; I267-R275 PolarHBondContact O-NE 2.75Å; I267-R275 PolarHBondContact O-NH2 2.87Å; I267-L278 HydrophobicContact CD1-CD1 3.44Å; I267-L278 VanDerWaalsContact CD1-CD1 3.44Å
268	N	85.3	Confident	90.1	Very high	117 Å²	117	55 Å²	55	63%	0.626	31%	0.311	S	S	*	.			trans	-60	145	177.1	-68	-25.8	0	0	0	112.1	D270 A271	N268-D270 PolarHBondContact O-N 2.76Å; N268-D270 VanDerWaalsContact O-N 3.15Å; N268-A271 PolarHBondContact O-N 2.89Å; N268-A271 VanDerWaalsContact O-N 3.07Å
269	Y	82.6	Confident	90	Very high	43 Å²	43	55.4 Å²	55.4	17%	0.169	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.5	-177.5	61.7	-97	0	0	0	113.4	A271 F331 L443 V446	Y269-A271 PolarHBondContact O-N 3.24Å; Y269-F331 HydrophobicContact CD2-CE2 4.4Å; Y269-F331 HydrophobicContact CE2-CD2 4.3Å; Y269-F331 AromaticContact CE2-CE2 3.81Å; Y269-F331 HydrophobicContact CE2-CE2 3.81Å; Y269-F331 HydrophobicContact CE2-CZ 4.06Å; Y269-L443 WeakPolarHBondContact OH-CD2 3.48Å; Y269-V446 HydrophobicContact CD1-CG1 3.87Å; Y269-V446 HydrophobicContact CG-CG1 4.03Å
270	D	81.8	Confident	90	Very high	114 Å²	114	56.3 Å²	56.3	61%	0.61	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-27.6	175	-66.9	-37.5	0	0	0	112.6	N268 S272	N268-D270 PolarHBondContact O-N 2.76Å; N268-D270 VanDerWaalsContact O-N 3.15Å; D270-S272 PolarHBondContact O-N 3.46Å
271	A	88.5	Confident	90.1	Very high	40 Å²	40	55.4 Å²	55.4	33%	0.331	32%	0.318	S	S	.	.			trans	-85.3	57.9	179.4	0	0	0	0	0	111.9	I267 N268 Y269 A273 A274 R275	I267-A271 HydrophobicContact CG2-CB 3.76Å; N268-A271 PolarHBondContact O-N 2.89Å; N268-A271 VanDerWaalsContact O-N 3.07Å; Y269-A271 PolarHBondContact O-N 3.24Å; A271-A273 VanDerWaalsContact C-N 3.34Å; A271-A273 PolarHBondContact O-N 3.34Å; A271-A274 HydrophobicContact CB-CB 4.27Å; A271-A274 PolarHBondContact O-N 3.19Å; A271-A274 VanDerWaalsContact O-N 3.12Å; A271-R275 PolarHBondContact O-N 2.89Å
272	S	86.4	Confident	90.2	Very high	54 Å²	54	55.8 Å²	55.8	38%	0.378	32%	0.32	S	S	.	.	H	α-helix	trans	-50.9	-47.4	-178.4	53.2	0	0	0	0	113.5	D270 A274 R275 V276 Y324	D270-S272 PolarHBondContact O-N 3.46Å; S272-A274 VanDerWaalsContact C-N 3.32Å; S272-A274 PolarHBondContact O-N 2.85Å; S272-R275 PolarHBondContact O-N 2.9Å; S272-V276 WeakPolarHBondContact O-CG2 3.26Å; S272-V276 PolarHBondContact O-N 2.89Å; S272-V276 VanDerWaalsContact O-N 3.08Å; S272-Y324 VanDerWaalsContact CA-OH 3.23Å; S272-Y324 WeakPolarHBondContact CA-OH 3.3Å; S272-Y324 WeakPolarHBondContact CB-OH 3.3Å; S272-Y324 PolarHBondContact O-OH 2.85Å
273	A	91.4	Very high	90.4	Very high	77 Å²	77	55.4 Å²	55.4	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-59.8	-39.2	179.9	0	0	0	0	0	112.9	A271 A277	A271-A273 VanDerWaalsContact C-N 3.34Å; A271-A273 PolarHBondContact O-N 3.34Å; A273-A277 WeakPolarHBondContact O-CB 3.44Å; A273-A277 PolarHBondContact O-N 2.92Å
274	A	92.5	Very high	90.6	Very high	43 Å²	43	57.4 Å²	57.4	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-71	-44.5	-179	0	0	0	0	0	111.9	I267 A271 S272 A277 L278	I267-A274 HydrophobicContact CG2-CB 4.5Å; A271-A274 HydrophobicContact CB-CB 4.27Å; A271-A274 PolarHBondContact O-N 3.19Å; A271-A274 VanDerWaalsContact O-N 3.12Å; S272-A274 VanDerWaalsContact C-N 3.32Å; S272-A274 PolarHBondContact O-N 2.85Å; A274-A277 PolarHBondContact O-N 2.78Å; A274-L278 WeakPolarHBondContact O-CG 3.29Å; A274-L278 PolarHBondContact O-N 3.43Å
275	R	91.5	Very high	90.9	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.011	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-45.6	178.2	-70.4	-169.8	177.9	-160.1	8.9	111.5	S264 I267 A271 S272 L278 G279 Y324 D450	S264-R275 PolarHBondContact O-NE 3.16Å; I267-R275 HydrophobicContact CB-CG 4.19Å; I267-R275 HydrophobicContact CG2-CG 4.03Å; I267-R275 PolarHBondContact O-NE 2.75Å; I267-R275 PolarHBondContact O-NH2 2.87Å; A271-R275 PolarHBondContact O-N 2.89Å; S272-R275 PolarHBondContact O-N 2.9Å; R275-L278 PolarHBondContact O-N 2.85Å; R275-G279 PolarHBondContact O-N 2.8Å; R275-Y324 HydrophobicContact CB-CD2 3.61Å; R275-Y324 HydrophobicContact CB-CE2 3.78Å; R275-Y324 HydrophobicContact CB-CG 4.08Å; R275-Y324 HydrophobicContact CG-CD2 4.14Å; R275-Y324 HydrophobicContact CG-CE2 4.36Å; R275-D450 IonicContact CZ-OD1 2.83Å; R275-D450 IonicContact CZ-OD2 2.68Å; R275-D450 IonicContact NH1-OD1 2.81Å; R275-D450 PolarHBondContact NH1-OD1 3.46Å; R275-D450 IonicContact NH1-OD2 3.69Å; R275-D450 IonicContact NH2-OD1 2.86Å; R275-D450 PolarHBondContact NH2-OD1 3.12Å; R275-D450 IonicContact NH2-OD2 3.22Å; R275-D450 PolarHBondContact NH2-OD2 3.17Å
276	V	92.6	Very high	91.1	Very high	47 Å²	47	59.8 Å²	59.8	29%	0.285	34%	0.344	S	S	.	.	H	α-helix	trans	-62.8	-46.2	177	176.2	0	0	0	0	111.4	S272 L278 G279 I280 Y324	S272-V276 WeakPolarHBondContact O-CG2 3.26Å; S272-V276 PolarHBondContact O-N 2.89Å; S272-V276 VanDerWaalsContact O-N 3.08Å; V276-L278 VanDerWaalsContact C-N 3.35Å; V276-L278 PolarHBondContact O-N 2.81Å; V276-G279 PolarHBondContact O-N 3.23Å; V276-I280 HydrophobicContact CG1-CD1 3.47Å; V276-I280 VanDerWaalsContact CG1-CD1 3.47Å; V276-I280 HydrophobicContact CG1-CG1 4.09Å; V276-I280 WeakPolarHBondContact O-CB 3.28Å; V276-I280 WeakPolarHBondContact O-CG1 3.32Å; V276-I280 PolarHBondContact O-N 2.82Å; V276-Y324 HydrophobicContact CB-CE1 4.44Å; V276-Y324 HydrophobicContact CG2-CD1 3.77Å; V276-Y324 HydrophobicContact CG2-CE1 3.07Å
277	A	94.2	Very high	91.4	Very high	52 Å²	52	54.3 Å²	54.3	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-43.8	-179.5	0	0	0	0	0	111.9	A273 A274 T281	A273-A277 WeakPolarHBondContact O-CB 3.44Å; A273-A277 PolarHBondContact O-N 2.92Å; A274-A277 PolarHBondContact O-N 2.78Å; A277-T281 WeakPolarHBondContact O-CB 3.29Å; A277-T281 PolarHBondContact O-N 2.75Å; A277-T281 PolarHBondContact O-OG1 2.76Å
278	L	93.2	Very high	91.7	Very high	62 Å²	62	56.2 Å²	56.2	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-45.5	175.5	-73.6	173.3	0	0	0	112.2	I267 A274 R275 V276 T281 T282	I267-L278 HydrophobicContact CD1-CD1 3.44Å; I267-L278 VanDerWaalsContact CD1-CD1 3.44Å; A274-L278 WeakPolarHBondContact O-CG 3.29Å; A274-L278 PolarHBondContact O-N 3.43Å; R275-L278 PolarHBondContact O-N 2.85Å; V276-L278 VanDerWaalsContact C-N 3.35Å; V276-L278 PolarHBondContact O-N 2.81Å; L278-T281 PolarHBondContact O-N 3.02Å; L278-T282 WeakPolarHBondContact O-CB 3.38Å; L278-T282 VanDerWaalsContact O-CG2 3.27Å; L278-T282 WeakPolarHBondContact O-CG2 3.36Å; L278-T282 PolarHBondContact O-N 2.93Å; L278-T282 PolarHBondContact O-OG1 2.81Å
279	G	92.4	Very high	92.1	Very high	7 Å²	7	52.1 Å²	52.1	7%	0.072	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-45.1	179.7	0	0	0	0	0	113	R275 V276 T282 V283	R275-G279 PolarHBondContact O-N 2.8Å; V276-G279 PolarHBondContact O-N 3.23Å; G279-T282 PolarHBondContact O-OG1 2.69Å; G279-V283 WeakPolarHBondContact O-CG2 3.34Å; G279-V283 PolarHBondContact O-N 2.84Å
280	I	94.4	Very high	92.5	Very high	95 Å²	95	50.8 Å²	50.8	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-66.6	-44.5	177.5	-66	176.9	0	0	0	111	V276 T282 V283 L284	V276-I280 HydrophobicContact CG1-CD1 3.47Å; V276-I280 VanDerWaalsContact CG1-CD1 3.47Å; V276-I280 HydrophobicContact CG1-CG1 4.09Å; V276-I280 WeakPolarHBondContact O-CB 3.28Å; V276-I280 WeakPolarHBondContact O-CG1 3.32Å; V276-I280 PolarHBondContact O-N 2.82Å; I280-T282 VanDerWaalsContact C-N 3.35Å; I280-T282 PolarHBondContact O-N 3.44Å; I280-V283 PolarHBondContact O-N 2.9Å; I280-L284 WeakPolarHBondContact O-CB 3.26Å; I280-L284 PolarHBondContact O-N 2.77Å
281	T	95.6	Very high	93	Very high	80 Å²	80	48.5 Å²	48.5	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-39.3	-178	-56.4	0	0	0	0	111.7	A277 L278 L284 T285	A277-T281 WeakPolarHBondContact O-CB 3.29Å; A277-T281 PolarHBondContact O-N 2.75Å; A277-T281 PolarHBondContact O-OG1 2.76Å; L278-T281 PolarHBondContact O-N 3.02Å; T281-L284 PolarHBondContact O-N 2.8Å; T281-T285 WeakPolarHBondContact O-CB 3.42Å; T281-T285 PolarHBondContact O-N 3.46Å; T281-T285 PolarHBondContact O-OG1 3.41Å
282	T	94.4	Very high	93.1	Very high	10 Å²	10	51 Å²	51	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-41	177.1	48.6	0	0	0	0	112	I257 L278 G279 I280 T285 M286 V317	I257-T282 HydrophobicContact CG2-CG2 4.21Å; L278-T282 WeakPolarHBondContact O-CB 3.38Å; L278-T282 VanDerWaalsContact O-CG2 3.27Å; L278-T282 WeakPolarHBondContact O-CG2 3.36Å; L278-T282 PolarHBondContact O-N 2.93Å; L278-T282 PolarHBondContact O-OG1 2.81Å; G279-T282 PolarHBondContact O-OG1 2.69Å; I280-T282 VanDerWaalsContact C-N 3.35Å; I280-T282 PolarHBondContact O-N 3.44Å; T282-T285 PolarHBondContact O-N 2.82Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 2.86Å; T282-V317 WeakPolarHBondContact OG1-CG1 3.28Å
283	V	95.2	Very high	93.3	Very high	29 Å²	29	48.8 Å²	48.8	18%	0.176	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-44.2	173.4	173.7	0	0	0	0	111.3	G279 I280 M286 T287 F314 V317	G279-V283 WeakPolarHBondContact O-CG2 3.34Å; G279-V283 PolarHBondContact O-N 2.84Å; I280-V283 PolarHBondContact O-N 2.9Å; V283-M286 PolarHBondContact O-N 3.24Å; V283-T287 PolarHBondContact O-N 2.98Å; V283-T287 PolarHBondContact O-OG1 3.39Å; V283-F314 HydrophobicContact CG1-CE2 3.93Å; V283-F314 HydrophobicContact CG1-CZ 4.19Å; V283-V317 HydrophobicContact CG2-CG1 3.71Å
284	L	95.8	Very high	93.1	Very high	108 Å²	108	52 Å²	52	57%	0.565	29%	0.293	S	S	*	.	H	α-helix	trans	-61.2	-46	176.8	178.7	62.2	0	0	0	111	I280 T281 M286 T287 T288	I280-L284 WeakPolarHBondContact O-CB 3.26Å; I280-L284 PolarHBondContact O-N 2.77Å; T281-L284 PolarHBondContact O-N 2.8Å; L284-M286 PolarHBondContact O-N 2.93Å; L284-T287 WeakPolarHBondContact O-CA 3.34Å; L284-T287 WeakPolarHBondContact O-CB 3.19Å; L284-T287 PolarHBondContact O-N 3.23Å; L284-T287 VanDerWaalsContact O-N 3.08Å; L284-T288 PolarHBondContact O-N 3.17Å; L284-T288 PolarHBondContact O-OG1 3.32Å; L284-T288 VanDerWaalsContact O-OG1 3.1Å
285	T	95.3	Very high	93	Very high	53 Å²	53	57.4 Å²	57.4	33%	0.325	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-42.4	-179.6	-49.9	0	0	0	0	111.3	I257 T281 T282 T287 T288 I289	I257-T285 HydrophobicContact CD1-CG2 3.4Å; I257-T285 HydrophobicContact CG1-CG2 4.12Å; T281-T285 WeakPolarHBondContact O-CB 3.42Å; T281-T285 PolarHBondContact O-N 3.46Å; T281-T285 PolarHBondContact O-OG1 3.41Å; T282-T285 PolarHBondContact O-N 2.82Å; T285-T287 VanDerWaalsContact C-N 3.29Å; T285-T287 PolarHBondContact O-N 2.68Å; T285-T288 PolarHBondContact O-N 3.4Å; T285-I289 WeakPolarHBondContact O-CG1 3.36Å; T285-I289 PolarHBondContact O-N 3.14Å
286	M	93.3	Very high	92.7	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.02	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-37.7	173.7	-77.2	-57.4	-59.7	0	0	112.4	I257 T282 V283 L284 I289 S290 L310 C313 F314 V317	I257-M286 HydrophobicContact CB-SD 4.25Å; I257-M286 HydrophobicContact CD1-SD 4.39Å; I257-M286 HydrophobicContact CG2-CG 3.82Å; I257-M286 HydrophobicContact CG2-SD 3.98Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 2.86Å; V283-M286 PolarHBondContact O-N 3.24Å; L284-M286 PolarHBondContact O-N 2.93Å; M286-I289 PolarHBondContact O-N 3.47Å; M286-S290 PolarHBondContact O-N 3.2Å; M286-S290 VanDerWaalsContact O-N 3.08Å; M286-L310 HydrophobicContact CE-CD2 4.18Å; M286-C313 HydrophobicContact CE-CB 3.49Å; M286-C313 VanDerWaalsContact CE-CB 3.49Å; M286-C313 HydrophobicContact SD-CB 4.43Å; M286-F314 HydrophobicContact CB-CD2 4.11Å; M286-V317 HydrophobicContact CG-CG2 4.12Å
287	T	93.8	Very high	92.3	Very high	62 Å²	62	59.1 Å²	59.1	38%	0.38	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-45.8	175.6	-54.4	0	0	0	0	110.9	V283 L284 T285 I289 S290 T291	V283-T287 PolarHBondContact O-N 2.98Å; V283-T287 PolarHBondContact O-OG1 3.39Å; L284-T287 WeakPolarHBondContact O-CA 3.34Å; L284-T287 WeakPolarHBondContact O-CB 3.19Å; L284-T287 PolarHBondContact O-N 3.23Å; L284-T287 VanDerWaalsContact O-N 3.08Å; T285-T287 VanDerWaalsContact C-N 3.29Å; T285-T287 PolarHBondContact O-N 2.68Å; T287-I289 PolarHBondContact O-N 3.11Å; T287-S290 PolarHBondContact O-N 2.89Å; T287-S290 VanDerWaalsContact O-N 3.16Å; T287-T291 WeakPolarHBondContact O-CG2 3.38Å; T287-T291 PolarHBondContact O-N 2.87Å; T287-T291 PolarHBondContact O-OG1 3.21Å
288	T	94.8	Very high	92.1	Very high	80 Å²	80	57.4 Å²	57.4	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-41	177.6	-54.4	0	0	0	0	112.7	L284 T285 S290 T291 H292	L284-T288 PolarHBondContact O-N 3.17Å; L284-T288 PolarHBondContact O-OG1 3.32Å; L284-T288 VanDerWaalsContact O-OG1 3.1Å; T285-T288 PolarHBondContact O-N 3.4Å; T288-S290 VanDerWaalsContact C-N 3.34Å; T288-T291 WeakPolarHBondContact CA-OG1 3.37Å; T288-T291 PolarHBondContact O-N 2.87Å; T288-T291 PolarHBondContact O-OG1 3.27Å; T288-H292 WeakPolarHBondContact O-CB 3.48Å; T288-H292 PolarHBondContact O-N 2.85Å
289	I	93.9	Very high	91.7	Very high	31 Å²	31	64.6 Å²	64.6	16%	0.159	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-43.4	175	-69.1	172.2	0	0	0	110.5	T250 P253 I257 T285 M286 T287 T291 H292 L293 L310	T250-I289 HydrophobicContact CG2-CG2 4.33Å; P253-I289 HydrophobicContact CB-CD1 4.17Å; I257-I289 HydrophobicContact CD1-CD1 3.29Å; T285-I289 WeakPolarHBondContact O-CG1 3.36Å; T285-I289 PolarHBondContact O-N 3.14Å; M286-I289 PolarHBondContact O-N 3.47Å; T287-I289 PolarHBondContact O-N 3.11Å; I289-T291 PolarHBondContact O-N 2.93Å; I289-H292 PolarHBondContact O-N 3.36Å; I289-L293 PolarHBondContact O-N 3.39Å; I289-L310 HydrophobicContact CG2-CD2 4.08Å
290	S	91.3	Very high	91.5	Very high	15 Å²	15	65.7 Å²	65.7	11%	0.105	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-36	179.2	-176.3	0	0	0	0	112.9	M286 T287 T288 R294	M286-S290 PolarHBondContact O-N 3.2Å; M286-S290 VanDerWaalsContact O-N 3.08Å; T287-S290 PolarHBondContact O-N 2.89Å; T287-S290 VanDerWaalsContact O-N 3.16Å; T288-S290 VanDerWaalsContact C-N 3.34Å; S290-R294 VanDerWaalsContact O-CG 3.29Å; S290-R294 WeakPolarHBondContact O-CG 3.48Å; S290-R294 PolarHBondContact O-N 2.88Å
291	T	91.9	Very high	91.3	Very high	66 Å²	66	67.6 Å²	67.6	41%	0.405	36%	0.357	S	S	.	.	H	α-helix	trans	-70.4	-44.6	177.3	51.9	0	0	0	0	111.1	T287 T288 I289 L293 R294 E295	T287-T291 WeakPolarHBondContact O-CG2 3.38Å; T287-T291 PolarHBondContact O-N 2.87Å; T287-T291 PolarHBondContact O-OG1 3.21Å; T288-T291 WeakPolarHBondContact CA-OG1 3.37Å; T288-T291 PolarHBondContact O-N 2.87Å; T288-T291 PolarHBondContact O-OG1 3.27Å; I289-T291 PolarHBondContact O-N 2.93Å; T291-L293 VanDerWaalsContact C-N 3.34Å; T291-L293 PolarHBondContact O-N 3.1Å; T291-R294 PolarHBondContact O-N 3Å; T291-R294 VanDerWaalsContact O-N 3.13Å; T291-E295 PolarHBondContact O-N 3.35Å; T291-E295 VanDerWaalsContact O-N 3.17Å
292	H	91.7	Very high	91.1	Very high	94 Å²	94	67.3 Å²	67.3	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-58.2	-45.1	177.2	176.9	-88.5	0	0	0	111.9	T288 I289 R294 E295 T296	T288-H292 WeakPolarHBondContact O-CB 3.48Å; T288-H292 PolarHBondContact O-N 2.85Å; I289-H292 PolarHBondContact O-N 3.36Å; H292-R294 VanDerWaalsContact C-N 3.3Å; H292-R294 PolarHBondContact O-N 2.79Å; H292-E295 PolarHBondContact O-N 3.4Å; H292-T296 PolarHBondContact O-N 2.88Å
293	L	89	Confident	91	Very high	7 Å²	7	71.4 Å²	71.4	4%	0.037	37%	0.372	C	S	.	.	H	α-helix	trans	-62	-38	178	-175.6	68	0	0	0	112.2	I289 T291 E295 T296 L297 I306 L310	I289-L293 PolarHBondContact O-N 3.39Å; T291-L293 VanDerWaalsContact C-N 3.34Å; T291-L293 PolarHBondContact O-N 3.1Å; L293-E295 VanDerWaalsContact C-N 3.3Å; L293-E295 PolarHBondContact O-N 2.9Å; L293-T296 PolarHBondContact O-N 3.02Å; L293-T296 PolarHBondContact O-OG1 2.88Å; L293-L297 HydrophobicContact CD1-CD1 3.94Å; L293-L297 HydrophobicContact CD1-CG 4.49Å; L293-L297 HydrophobicContact CD2-CD1 4.46Å; L293-L297 HydrophobicContact CG-CD1 3.86Å; L293-L297 WeakPolarHBondContact O-CG 3.49Å; L293-L297 PolarHBondContact O-N 3Å; L293-I306 HydrophobicContact CD1-CD1 4.01Å; L293-I306 HydrophobicContact CD2-CB 4.32Å; L293-I306 HydrophobicContact CD2-CD1 3.51Å; L293-I306 HydrophobicContact CD2-CG1 3.59Å; L293-I306 HydrophobicContact CD2-CG2 3.8Å; L293-I306 HydrophobicContact CG-CD1 4.42Å; L293-L310 HydrophobicContact CD2-CD1 3.49Å; L293-L310 VanDerWaalsContact CD2-CD1 3.49Å
294	R	88.3	Confident	90.9	Very high	144 Å²	144	70.6 Å²	70.6	54%	0.543	37%	0.367	S	S	.	.	H	α-helix	trans	-68	-27.8	178.7	-73.2	174	-174.3	-172.7	4.1	113.2	S290 T291 H292	S290-R294 VanDerWaalsContact O-CG 3.29Å; S290-R294 WeakPolarHBondContact O-CG 3.48Å; S290-R294 PolarHBondContact O-N 2.88Å; T291-R294 PolarHBondContact O-N 3Å; T291-R294 VanDerWaalsContact O-N 3.13Å; H292-R294 VanDerWaalsContact C-N 3.3Å; H292-R294 PolarHBondContact O-N 2.79Å
295	E	89.4	Confident	90.8	Very high	157 Å²	157	65.5 Å²	65.5	73%	0.734	34%	0.34	S	S	*	.	H	α-helix	trans	-72.5	-34.2	176.2	-70.9	175	-177.8	0	0	112	T291 H292 L293 L297	T291-E295 PolarHBondContact O-N 3.35Å; T291-E295 VanDerWaalsContact O-N 3.17Å; H292-E295 PolarHBondContact O-N 3.4Å; L293-E295 VanDerWaalsContact C-N 3.3Å; L293-E295 PolarHBondContact O-N 2.9Å; E295-L297 VanDerWaalsContact C-N 3.31Å; E295-L297 PolarHBondContact O-N 2.88Å
296	T	86.6	Confident	90.7	Very high	74 Å²	74	63 Å²	63	45%	0.454	32%	0.324	S	S	.	.	H	α-helix	trans	-77.9	-13.3	180	60.4	0	0	0	0	114.3	H292 L293	H292-T296 PolarHBondContact O-N 2.88Å; L293-T296 PolarHBondContact O-N 3.02Å; L293-T296 PolarHBondContact O-OG1 2.88Å
297	L	84.7	Confident	90.7	Very high	12 Å²	12	64 Å²	64	6%	0.063	33%	0.33	C	S	.	.	S	Bend	trans	-113	151.6	-172.6	-62.3	177.2	0	0	0	112.2	Y168 L293 E295 K304	Y168-L297 HydrophobicContact CD1-CD1 4.12Å; Y168-L297 HydrophobicContact CE1-CD1 3.63Å; Y168-L297 HydrophobicContact CE1-CD2 3.7Å; Y168-L297 HydrophobicContact CE1-CG 4.34Å; Y168-L297 HydrophobicContact CE2-CD2 3.98Å; Y168-L297 WeakPolarHBondContact OH-CD2 3.03Å; L293-L297 HydrophobicContact CD1-CD1 3.94Å; L293-L297 HydrophobicContact CD1-CG 4.49Å; L293-L297 HydrophobicContact CD2-CD1 4.46Å; L293-L297 HydrophobicContact CG-CD1 3.86Å; L293-L297 WeakPolarHBondContact O-CG 3.49Å; L293-L297 PolarHBondContact O-N 3Å; E295-L297 VanDerWaalsContact C-N 3.31Å; E295-L297 PolarHBondContact O-N 2.88Å; L297-K304 HydrophobicContact CD1-CD 4.42Å
298	P	89	Confident	90.7	Very high	15 Å²	15	64.2 Å²	64.2	10%	0.097	33%	0.328	C	S	.	.			trans	-53.7	142.7	167.1	23.5	-35.4	0	0	0	111.1	E77 M80 L165 I300	E77-P298 HydrophobicContact CB-CG 4.17Å; E77-P298 WeakPolarHBondContact O-CB 3.25Å; E77-P298 VanDerWaalsContact O-CG 3.26Å; E77-P298 WeakPolarHBondContact O-CG 3.28Å; M80-P298 HydrophobicContact CE-CB 4.48Å; M80-P298 HydrophobicContact CE-CG 4.3Å; L165-P298 HydrophobicContact CD1-CG 3.74Å; P298-I300 VanDerWaalsContact C-N 3.34Å; P298-I300 HydrophobicContact CB-CD1 4.2Å; P298-I300 HydrophobicContact CB-CG1 3.99Å; P298-I300 HydrophobicContact CG-CD1 3.62Å; P298-I300 HydrophobicContact CG-CG1 3.95Å; P298-I300 PolarHBondContact O-N 2.85Å
299	K	85.9	Confident	90.7	Very high	213 Å²	213	60.4 Å²	60.4	93%	0.926	31%	0.305	S	S	*	.			trans	-71.7	90.4	172.8	-66.4	-177.6	-176.8	177.8	0	109.6
300	I	87	Confident	90.7	Very high	30 Å²	30	59 Å²	59	15%	0.154	30%	0.298	C	S	.	.			trans	-100.7	135.5	-178.2	-70.9	177.5	0	0	0	110.1	M80 L165 P298 Y302	M80-I300 HydrophobicContact CE-CD1 3.95Å; M80-I300 HydrophobicContact CE-CG1 4.46Å; L165-I300 HydrophobicContact CB-CD1 3.84Å; L165-I300 HydrophobicContact CD1-CD1 3.28Å; L165-I300 HydrophobicContact CG-CD1 3.83Å; P298-I300 VanDerWaalsContact C-N 3.34Å; P298-I300 HydrophobicContact CB-CD1 4.2Å; P298-I300 HydrophobicContact CB-CG1 3.99Å; P298-I300 HydrophobicContact CG-CD1 3.62Å; P298-I300 HydrophobicContact CG-CG1 3.95Å; P298-I300 PolarHBondContact O-N 2.85Å; I300-Y302 VanDerWaalsContact C-N 3.31Å; I300-Y302 HydrophobicContact CG2-CD1 3.36Å; I300-Y302 HydrophobicContact CG2-CD2 3.51Å; I300-Y302 HydrophobicContact CG2-CE1 3.21Å; I300-Y302 HydrophobicContact CG2-CE2 3.35Å; I300-Y302 HydrophobicContact CG2-CG 3.51Å; I300-Y302 PolarHBondContact O-N 3.25Å
301	P	90.7	Very high	90.8	Very high	135 Å²	135	62.3 Å²	62.3	88%	0.877	31%	0.312	S	S	*	.	S	Bend	trans	-79.7	-7.2	-174.8	32.1	-36.8	0	0	0	114.5
302	Y	92.1	Very high	90.9	Very high	74 Å²	74	59.8 Å²	59.8	29%	0.29	30%	0.299	S	S	.	.	S	Bend	trans	-104.4	156.5	178.1	56.6	-104.4	0	0	0	112.5	L165 R166 I300	L165-Y302 HydrophobicContact CB-CE2 4.27Å; L165-Y302 PolarHBondContact N-OH 3.4Å; R166-Y302 HydrophobicContact CB-CE2 4.49Å; R166-Y302 HydrophobicContact CG-CD2 3.8Å; R166-Y302 HydrophobicContact CG-CE2 3.77Å; I300-Y302 VanDerWaalsContact C-N 3.31Å; I300-Y302 HydrophobicContact CG2-CD1 3.36Å; I300-Y302 HydrophobicContact CG2-CD2 3.51Å; I300-Y302 HydrophobicContact CG2-CE1 3.21Å; I300-Y302 HydrophobicContact CG2-CE2 3.35Å; I300-Y302 HydrophobicContact CG2-CG 3.51Å; I300-Y302 PolarHBondContact O-N 3.25Å
303	V	92.2	Very high	91	Very high	96 Å²	96	55.3 Å²	55.3	58%	0.582	28%	0.279	S	S	*	.			trans	-74.2	128.7	-179.7	-177.4	0	0	0	0	110.2	D307 I308	V303-D307 HydrophobicContact CG1-CB 4.16Å; V303-I308 HydrophobicContact CG1-CD1 3.84Å; V303-I308 HydrophobicContact CG1-CG1 3.56Å
304	K	93.2	Very high	91.3	Very high	13 Å²	13	58 Å²	58	6%	0.057	29%	0.29	C	S	.	.			trans	-93.5	157.1	176.7	-56	179.1	-58.6	-57.2	0	111.1	Y168 L297 I306 D307 I308	Y168-K304 HydrophobicContact CD1-CD 4.46Å; L297-K304 HydrophobicContact CD1-CD 4.42Å; K304-I306 VanDerWaalsContact C-N 3.26Å; K304-I306 HydrophobicContact CB-CG2 4.05Å; K304-I306 PolarHBondContact O-N 2.77Å; K304-D307 WeakPolarHBondContact CB-OD2 3.36Å; K304-D307 PolarHBondContact N-OD2 3.06Å; K304-D307 IonicContact NZ-OD1 3.34Å; K304-D307 PolarHBondContact NZ-OD1 3.26Å; K304-D307 IonicContact NZ-OD2 2.75Å; K304-D307 PolarHBondContact NZ-OD2 3.43Å; K304-D307 WeakPolarHBondContact O-CB 3.26Å; K304-D307 PolarHBondContact O-N 3.32Å; K304-I308 PolarHBondContact O-N 2.87Å; K304-I308 VanDerWaalsContact O-N 3.15Å
305	A	93.8	Very high	91.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-55.2	-40.7	175.5	0	0	0	0	0	112.7	R166 Y168 D307 I308 Y309 Y468 Y472	R166-A305 PolarHBondContact O-N 3.27Å; Y168-A305 WeakPolarHBondContact O-CB 3.46Å; A305-D307 VanDerWaalsContact C-N 3.32Å; A305-D307 PolarHBondContact O-N 3.47Å; A305-I308 PolarHBondContact O-N 2.95Å; A305-Y309 PolarHBondContact O-N 3.13Å; A305-Y309 VanDerWaalsContact O-N 3.13Å; A305-Y468 VanDerWaalsContact C-OH 3.3Å; A305-Y468 VanDerWaalsContact O-CE2 3.31Å; A305-Y468 WeakPolarHBondContact O-CE2 3.46Å; A305-Y468 PolarHBondContact O-OH 3.46Å; A305-Y472 HydrophobicContact CB-CD1 3.45Å; A305-Y472 VanDerWaalsContact CB-CD1 3.45Å; A305-Y472 HydrophobicContact CB-CD2 4.2Å; A305-Y472 HydrophobicContact CB-CE1 3.24Å; A305-Y472 HydrophobicContact CB-CE2 4.03Å; A305-Y472 HydrophobicContact CB-CG 3.94Å
306	I	93	Very high	91.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-33	175.1	-163	159.8	0	0	0	113.2	Y168 P169 T250 L293 K304 I308 Y309 L310	Y168-I306 HydrophobicContact CD1-CB 4.45Å; Y168-I306 HydrophobicContact CD1-CG2 3.78Å; Y168-I306 HydrophobicContact CE1-CD1 4.45Å; Y168-I306 HydrophobicContact CE1-CG2 4.29Å; Y168-I306 PolarHBondContact O-N 3.05Å; Y168-I306 VanDerWaalsContact O-N 3.1Å; P169-I306 HydrophobicContact CG-CD1 4.42Å; T250-I306 HydrophobicContact CG2-CD1 4.02Å; T250-I306 HydrophobicContact CG2-CG1 4.36Å; L293-I306 HydrophobicContact CD1-CD1 4.01Å; L293-I306 HydrophobicContact CD2-CB 4.32Å; L293-I306 HydrophobicContact CD2-CD1 3.51Å; L293-I306 HydrophobicContact CD2-CG1 3.59Å; L293-I306 HydrophobicContact CD2-CG2 3.8Å; L293-I306 HydrophobicContact CG-CD1 4.42Å; K304-I306 VanDerWaalsContact C-N 3.26Å; K304-I306 HydrophobicContact CB-CG2 4.05Å; K304-I306 PolarHBondContact O-N 2.77Å; I306-I308 VanDerWaalsContact C-N 3.33Å; I306-Y309 PolarHBondContact O-N 2.88Å; I306-L310 WeakPolarHBondContact O-CG 3.4Å; I306-L310 PolarHBondContact O-N 3.39Å
307	D	93	Very high	92.2	Very high	25 Å²	25	45 Å²	45	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-39.1	176.7	-59.1	-34.8	0	0	0	109.9	V303 K304 A305 Y309 L310 M311	V303-D307 HydrophobicContact CG1-CB 4.16Å; K304-D307 WeakPolarHBondContact CB-OD2 3.36Å; K304-D307 PolarHBondContact N-OD2 3.06Å; K304-D307 IonicContact NZ-OD1 3.34Å; K304-D307 PolarHBondContact NZ-OD1 3.26Å; K304-D307 IonicContact NZ-OD2 2.75Å; K304-D307 PolarHBondContact NZ-OD2 3.43Å; K304-D307 WeakPolarHBondContact O-CB 3.26Å; K304-D307 PolarHBondContact O-N 3.32Å; A305-D307 VanDerWaalsContact C-N 3.32Å; A305-D307 PolarHBondContact O-N 3.47Å; D307-Y309 VanDerWaalsContact C-N 3.33Å; D307-Y309 PolarHBondContact O-N 2.9Å; D307-L310 PolarHBondContact O-N 2.89Å; D307-M311 VanDerWaalsContact O-CB 3.27Å; D307-M311 WeakPolarHBondContact O-CB 3.47Å; D307-M311 WeakPolarHBondContact O-CG 3.44Å; D307-M311 PolarHBondContact O-N 3.44Å
308	I	93.3	Very high	92.6	Very high	67 Å²	67	48.9 Å²	48.9	34%	0.344	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-40.8	176	-70.7	162.3	0	0	0	110.8	V303 K304 A305 I306 G312 Y472	V303-I308 HydrophobicContact CG1-CD1 3.84Å; V303-I308 HydrophobicContact CG1-CG1 3.56Å; K304-I308 PolarHBondContact O-N 2.87Å; K304-I308 VanDerWaalsContact O-N 3.15Å; A305-I308 PolarHBondContact O-N 2.95Å; I306-I308 VanDerWaalsContact C-N 3.33Å; I308-G312 PolarHBondContact O-N 2.64Å; I308-Y472 WeakPolarHBondContact CD1-OH 3.36Å
309	Y	94.7	Very high	92.9	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-51.9	175	-171.2	-99.6	0	0	0	112.1	Y251 T255 A305 I306 D307 M311 G312 C313 F464 N465 Y468	Y251-Y309 AromaticContact CD1-CD1 3.53Å; Y251-Y309 HydrophobicContact CD1-CD1 3.53Å; Y251-Y309 HydrophobicContact CD1-CD2 4.08Å; Y251-Y309 AromaticContact CD1-CE1 3.44Å; Y251-Y309 HydrophobicContact CD1-CE1 3.44Å; Y251-Y309 VanDerWaalsContact CD1-CE1 3.44Å; Y251-Y309 AromaticContact CD1-CE2 3.99Å; Y251-Y309 HydrophobicContact CD1-CE2 3.99Å; Y251-Y309 AromaticContact CD1-CG 3.86Å; Y251-Y309 HydrophobicContact CD1-CG 3.86Å; Y251-Y309 AromaticContact CD1-CZ 3.68Å; Y251-Y309 AromaticContact CE1-CD1 3.69Å; Y251-Y309 HydrophobicContact CE1-CD1 3.69Å; Y251-Y309 AromaticContact CE1-CD2 3.91Å; Y251-Y309 HydrophobicContact CE1-CD2 3.91Å; Y251-Y309 HydrophobicContact CE1-CE1 4.08Å; Y251-Y309 HydrophobicContact CE1-CE2 4.27Å; Y251-Y309 AromaticContact CE1-CG 3.6Å; Y251-Y309 HydrophobicContact CE1-CG 3.6Å; Y251-Y309 HydrophobicContact CG-CE1 4.38Å; T255-Y309 PolarHBondContact OG1-OH 3.21Å; A305-Y309 PolarHBondContact O-N 3.13Å; A305-Y309 VanDerWaalsContact O-N 3.13Å; I306-Y309 PolarHBondContact O-N 2.88Å; D307-Y309 VanDerWaalsContact C-N 3.33Å; D307-Y309 PolarHBondContact O-N 2.9Å; Y309-M311 VanDerWaalsContact C-N 3.34Å; Y309-M311 PolarHBondContact O-N 3.22Å; Y309-G312 PolarHBondContact O-N 2.86Å; Y309-C313 VanDerWaalsContact CE1-SG 3.58Å; Y309-C313 PolarHBondContact O-N 2.78Å; Y309-C313 PolarHBondContact O-SG 3.1Å; Y309-C313 VanDerWaalsContact O-SG 3.4Å; Y309-F464 AromaticContact CD2-CE1 4Å; Y309-F464 HydrophobicContact CD2-CE1 4Å; Y309-F464 HydrophobicContact CD2-CZ 4.44Å; Y309-F464 HydrophobicContact CE2-CE1 4.13Å; Y309-N465 WeakPolarHBondContact CE2-OD1 3.47Å; Y309-N465 PolarHBondContact OH-OD1 3.48Å; Y309-Y468 AromaticContact CD2-CD1 3.74Å; Y309-Y468 HydrophobicContact CD2-CD1 3.74Å; Y309-Y468 HydrophobicContact CD2-CD2 4.06Å; Y309-Y468 AromaticContact CD2-CE1 3.77Å; Y309-Y468 HydrophobicContact CD2-CE1 3.77Å; Y309-Y468 HydrophobicContact CD2-CE2 4.08Å; Y309-Y468 AromaticContact CD2-CG 3.9Å; Y309-Y468 HydrophobicContact CD2-CG 3.9Å; Y309-Y468 AromaticContact CD2-CZ 3.94Å; Y309-Y468 HydrophobicContact CE2-CD1 4.28Å; Y309-Y468 HydrophobicContact CG-CE1 4.32Å; Y309-Y468 HydrophobicContact CG-CE2 4.35Å
310	L	93.6	Very high	93.1	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-39.5	-179.9	-71.7	179.5	0	0	0	112.1	T250 S254 M286 I289 L293 I306 D307 C313 F314	T250-L310 HydrophobicContact CG2-CD1 4.46Å; T250-L310 HydrophobicContact CG2-CD2 3.98Å; T250-L310 HydrophobicContact CG2-CG 4.49Å; S254-L310 VanDerWaalsContact OG-CD2 3.24Å; S254-L310 WeakPolarHBondContact OG-CD2 3.05Å; M286-L310 HydrophobicContact CE-CD2 4.18Å; I289-L310 HydrophobicContact CG2-CD2 4.08Å; L293-L310 HydrophobicContact CD2-CD1 3.49Å; L293-L310 VanDerWaalsContact CD2-CD1 3.49Å; I306-L310 WeakPolarHBondContact O-CG 3.4Å; I306-L310 PolarHBondContact O-N 3.39Å; D307-L310 PolarHBondContact O-N 2.89Å; L310-C313 PolarHBondContact O-N 2.74Å; L310-F314 VanDerWaalsContact O-CB 3.28Å; L310-F314 WeakPolarHBondContact O-CB 3.46Å; L310-F314 PolarHBondContact O-N 2.88Å
311	M	93.3	Very high	93.4	Very high	84 Å²	84	42.2 Å²	42.2	41%	0.414	23%	0.226	S	C	.	.	H	α-helix	trans	-65.3	-40.9	174.2	-72.1	-62.6	121.9	0	0	111.6	D307 Y309 F314 V315	D307-M311 VanDerWaalsContact O-CB 3.27Å; D307-M311 WeakPolarHBondContact O-CB 3.47Å; D307-M311 WeakPolarHBondContact O-CG 3.44Å; D307-M311 PolarHBondContact O-N 3.44Å; Y309-M311 VanDerWaalsContact C-N 3.34Å; Y309-M311 PolarHBondContact O-N 3.22Å; M311-F314 WeakPolarHBondContact O-CB 3.47Å; M311-F314 PolarHBondContact O-N 2.68Å; M311-V315 WeakPolarHBondContact O-CG2 3.35Å; M311-V315 PolarHBondContact O-N 2.83Å
312	G	93.8	Very high	93.4	Very high	13 Å²	13	39.7 Å²	39.7	13%	0.134	20%	0.204	C	C	.	.	H	α-helix	trans	-58.3	-52.6	173.6	0	0	0	0	0	111.8	I308 Y309 F314 V315 F316	I308-G312 PolarHBondContact O-N 2.64Å; Y309-G312 PolarHBondContact O-N 2.86Å; G312-F314 VanDerWaalsContact C-N 3.31Å; G312-F314 PolarHBondContact O-N 3.4Å; G312-V315 PolarHBondContact O-N 2.81Å; G312-F316 WeakPolarHBondContact O-CD2 3.18Å; G312-F316 PolarHBondContact O-N 2.93Å; G312-F316 VanDerWaalsContact O-N 3.12Å
313	C	94.6	Very high	93.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.6	-42	175	-66.9	0	0	0	0	112.1	M286 Y309 L310 V315 F316 V317	M286-C313 HydrophobicContact CE-CB 3.49Å; M286-C313 VanDerWaalsContact CE-CB 3.49Å; M286-C313 HydrophobicContact SD-CB 4.43Å; Y309-C313 VanDerWaalsContact CE1-SG 3.58Å; Y309-C313 PolarHBondContact O-N 2.78Å; Y309-C313 PolarHBondContact O-SG 3.1Å; Y309-C313 VanDerWaalsContact O-SG 3.4Å; L310-C313 PolarHBondContact O-N 2.74Å; C313-V315 PolarHBondContact O-N 2.81Å; C313-F316 PolarHBondContact O-N 2.74Å; C313-V317 WeakPolarHBondContact O-CG2 3.48Å; C313-V317 PolarHBondContact O-N 2.92Å
314	F	94.6	Very high	93.1	Very high	63 Å²	63	33.1 Å²	33.1	28%	0.276	17%	0.169	S	C	.	.	H	α-helix	trans	-60.7	-42.7	176.9	-175.4	-91.1	0	0	0	112.2	V283 M286 L310 M311 G312 V317 F318	V283-F314 HydrophobicContact CG1-CE2 3.93Å; V283-F314 HydrophobicContact CG1-CZ 4.19Å; M286-F314 HydrophobicContact CB-CD2 4.11Å; L310-F314 VanDerWaalsContact O-CB 3.28Å; L310-F314 WeakPolarHBondContact O-CB 3.46Å; L310-F314 PolarHBondContact O-N 2.88Å; M311-F314 WeakPolarHBondContact O-CB 3.47Å; M311-F314 PolarHBondContact O-N 2.68Å; G312-F314 VanDerWaalsContact C-N 3.31Å; G312-F314 PolarHBondContact O-N 3.4Å; F314-V317 PolarHBondContact O-N 2.99Å; F314-F318 WeakPolarHBondContact O-CB 3.47Å; F314-F318 PolarHBondContact O-N 3.47Å
315	V	95	Very high	92.9	Very high	77 Å²	77	34.9 Å²	34.9	47%	0.467	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-43.4	176	170.5	0	0	0	0	111.2	M311 G312 C313 V317 F318 L319	M311-V315 WeakPolarHBondContact O-CG2 3.35Å; M311-V315 PolarHBondContact O-N 2.83Å; G312-V315 PolarHBondContact O-N 2.81Å; C313-V315 PolarHBondContact O-N 2.81Å; V315-V317 PolarHBondContact O-N 2.81Å; V315-F318 PolarHBondContact O-N 2.9Å; V315-L319 HydrophobicContact CG1-CD1 3.95Å; V315-L319 HydrophobicContact CG1-CG 4.25Å; V315-L319 WeakPolarHBondContact O-CB 3.27Å; V315-L319 VanDerWaalsContact O-CG 3.28Å; V315-L319 WeakPolarHBondContact O-CG 3.33Å; V315-L319 PolarHBondContact O-N 2.57Å
316	F	94.6	Very high	92.6	Very high	25 Å²	25	40.2 Å²	40.2	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-44	177.5	-77.8	-71.5	0	0	0	112.8	T258 G312 C313 F318 L319 A320 F457 T460 F461 F464	T258-F316 HydrophobicContact CG2-CB 3.85Å; G312-F316 WeakPolarHBondContact O-CD2 3.18Å; G312-F316 PolarHBondContact O-N 2.93Å; G312-F316 VanDerWaalsContact O-N 3.12Å; C313-F316 PolarHBondContact O-N 2.74Å; F316-F318 VanDerWaalsContact C-N 3.34Å; F316-L319 PolarHBondContact O-N 3.07Å; F316-A320 PolarHBondContact O-N 2.98Å; F316-F457 HydrophobicContact CD1-CD1 4.44Å; F316-T460 WeakPolarHBondContact CE1-OG1 3.14Å; F316-F461 HydrophobicContact CD1-CB 4.47Å; F316-F461 AromaticContact CD2-CD2 3.63Å; F316-F461 HydrophobicContact CD2-CD2 3.63Å; F316-F461 HydrophobicContact CD2-CE2 4.33Å; F316-F461 HydrophobicContact CE1-CB 4.26Å; F316-F461 HydrophobicContact CE2-CB 4.49Å; F316-F461 AromaticContact CE2-CD2 3.84Å; F316-F461 HydrophobicContact CE2-CD2 3.84Å; F316-F461 HydrophobicContact CG-CD2 4.1Å; F316-F461 HydrophobicContact CZ-CB 4.27Å; F316-F461 HydrophobicContact CZ-CD2 4.44Å; F316-F464 HydrophobicContact CE2-CB 3.92Å; F316-F464 HydrophobicContact CE2-CD1 4.07Å; F316-F464 HydrophobicContact CE2-CD2 4.48Å; F316-F464 AromaticContact CE2-CG 3.9Å; F316-F464 HydrophobicContact CE2-CG 3.9Å; F316-F464 HydrophobicContact CZ-CB 4.08Å
317	V	94.1	Very high	92.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-40.6	176.7	175	0	0	0	0	110.9	T258 T282 V283 M286 C313 F314 V315 A320 L321	T258-V317 HydrophobicContact CG2-CG2 4.49Å; T282-V317 WeakPolarHBondContact OG1-CG1 3.28Å; V283-V317 HydrophobicContact CG2-CG1 3.71Å; M286-V317 HydrophobicContact CG-CG2 4.12Å; C313-V317 WeakPolarHBondContact O-CG2 3.48Å; C313-V317 PolarHBondContact O-N 2.92Å; F314-V317 PolarHBondContact O-N 2.99Å; V315-V317 PolarHBondContact O-N 2.81Å; V317-A320 PolarHBondContact O-N 3.25Å; V317-L321 PolarHBondContact O-N 3.4Å
318	F	94.1	Very high	92	Very high	94 Å²	94	41.8 Å²	41.8	41%	0.412	22%	0.218	S	C	.	.	H	α-helix	trans	-65.4	-41.4	176.3	-175.8	-106.5	0	0	0	112.5	F314 V315 F316 A320 L321 L322	F314-F318 WeakPolarHBondContact O-CB 3.47Å; F314-F318 PolarHBondContact O-N 3.47Å; V315-F318 PolarHBondContact O-N 2.9Å; F316-F318 VanDerWaalsContact C-N 3.34Å; F318-A320 VanDerWaalsContact C-N 3.31Å; F318-A320 PolarHBondContact O-N 2.96Å; F318-L321 WeakPolarHBondContact O-CB 3.39Å; F318-L321 PolarHBondContact O-N 2.83Å; F318-L321 VanDerWaalsContact O-N 3.17Å; F318-L322 HydrophobicContact CD1-CD1 3.97Å; F318-L322 HydrophobicContact CD1-CG 4.28Å; F318-L322 HydrophobicContact CE1-CD1 3.54Å; F318-L322 HydrophobicContact CE1-CD2 4.39Å; F318-L322 HydrophobicContact CE1-CG 3.94Å; F318-L322 HydrophobicContact CZ-CD1 4.23Å; F318-L322 HydrophobicContact CZ-CD2 4.27Å; F318-L322 HydrophobicContact CZ-CG 4.23Å; F318-L322 PolarHBondContact O-N 2.81Å
319	L	93.4	Very high	91.6	Very high	71 Å²	71	45.6 Å²	45.6	37%	0.372	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-35.5	174.9	-73.4	175.1	0	0	0	112.1	V315 F316 L321 L322 E323 F457	V315-L319 HydrophobicContact CG1-CD1 3.95Å; V315-L319 HydrophobicContact CG1-CG 4.25Å; V315-L319 WeakPolarHBondContact O-CB 3.27Å; V315-L319 VanDerWaalsContact O-CG 3.28Å; V315-L319 WeakPolarHBondContact O-CG 3.33Å; V315-L319 PolarHBondContact O-N 2.57Å; F316-L319 PolarHBondContact O-N 3.07Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.06Å; L319-L322 HydrophobicContact CD2-CD1 4.34Å; L319-L322 PolarHBondContact O-N 2.76Å; L319-E323 WeakPolarHBondContact O-CB 3.47Å; L319-E323 PolarHBondContact O-N 2.78Å; L319-F457 HydrophobicContact CB-CE1 3.68Å; L319-F457 HydrophobicContact CB-CZ 3.95Å
320	A	91.5	Very high	91.1	Very high	4 Å²	4	47 Å²	47	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-35.6	174	0	0	0	0	0	112.1	F265 F316 V317 F318 E323 Y324 F457	F265-A320 HydrophobicContact CE1-CB 4.27Å; F265-A320 HydrophobicContact CZ-CB 3.89Å; F316-A320 PolarHBondContact O-N 2.98Å; V317-A320 PolarHBondContact O-N 3.25Å; F318-A320 VanDerWaalsContact C-N 3.31Å; F318-A320 PolarHBondContact O-N 2.96Å; A320-E323 WeakPolarHBondContact O-CB 3.35Å; A320-Y324 PolarHBondContact O-N 2.8Å; A320-F457 HydrophobicContact CB-CE1 4.25Å
321	L	92	Very high	90.4	Very high	43 Å²	43	50.5 Å²	50.5	23%	0.225	25%	0.252	C	S	.	.	H	α-helix	trans	-69.9	-39.4	172.9	-178.3	66.7	0	0	0	112.2	V317 F318 L319 E323 Y324 A325	V317-L321 PolarHBondContact O-N 3.4Å; F318-L321 WeakPolarHBondContact O-CB 3.39Å; F318-L321 PolarHBondContact O-N 2.83Å; F318-L321 VanDerWaalsContact O-N 3.17Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.06Å; L321-E323 VanDerWaalsContact C-N 3.32Å; L321-Y324 PolarHBondContact O-N 2.97Å; L321-A325 PolarHBondContact O-N 2.81Å; L321-A325 VanDerWaalsContact O-N 3.13Å
322	L	92.1	Very high	89.7	Confident	82 Å²	82	52.6 Å²	52.6	43%	0.429	26%	0.259	S	S	.	.	H	α-helix	trans	-65.5	-34.4	176	-73.8	-175.7	0	0	0	112.7	F318 L319 Y324 A325 F326	F318-L322 HydrophobicContact CD1-CD1 3.97Å; F318-L322 HydrophobicContact CD1-CG 4.28Å; F318-L322 HydrophobicContact CE1-CD1 3.54Å; F318-L322 HydrophobicContact CE1-CD2 4.39Å; F318-L322 HydrophobicContact CE1-CG 3.94Å; F318-L322 HydrophobicContact CZ-CD1 4.23Å; F318-L322 HydrophobicContact CZ-CD2 4.27Å; F318-L322 HydrophobicContact CZ-CG 4.23Å; F318-L322 PolarHBondContact O-N 2.81Å; L319-L322 HydrophobicContact CD2-CD1 4.34Å; L319-L322 PolarHBondContact O-N 2.76Å; L322-Y324 VanDerWaalsContact C-N 3.33Å; L322-Y324 PolarHBondContact O-N 2.79Å; L322-A325 PolarHBondContact O-N 2.78Å; L322-F326 WeakPolarHBondContact O-CB 3.46Å; L322-F326 PolarHBondContact O-N 3.45Å
323	E	89.8	Confident	88.6	Confident	14 Å²	14	53.3 Å²	53.3	7%	0.065	27%	0.265	C	S	.	.	H	α-helix	trans	-55.9	-49.8	173.6	-170.9	-77.9	162.8	0	0	110.6	F265 L319 A320 L321 A325 F326 V327 S453	F265-E323 HydrophobicContact CD1-CG 4.36Å; F265-E323 HydrophobicContact CE1-CB 4.09Å; F265-E323 HydrophobicContact CE1-CG 3.85Å; L319-E323 WeakPolarHBondContact O-CB 3.47Å; L319-E323 PolarHBondContact O-N 2.78Å; A320-E323 WeakPolarHBondContact O-CB 3.35Å; L321-E323 VanDerWaalsContact C-N 3.32Å; E323-A325 PolarHBondContact O-N 3.12Å; E323-F326 WeakPolarHBondContact O-CB 3.48Å; E323-F326 PolarHBondContact O-N 3.15Å; E323-F326 VanDerWaalsContact O-N 3.16Å; E323-V327 WeakPolarHBondContact O-CG2 3.43Å; E323-V327 PolarHBondContact O-N 3.38Å; E323-V327 WeakPolarHBondContact OE1-CG2 3.39Å; E323-S453 WeakPolarHBondContact CG-OG 3.28Å; E323-S453 PolarHBondContact OE1-OG 3.26Å
324	Y	87.4	Confident	87.1	Confident	18 Å²	18	60 Å²	60	7%	0.071	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-42.5	176.3	169.9	-100.5	0	0	0	112.2	S272 R275 V276 A320 L321 L322 F326 V327 N328	S272-Y324 VanDerWaalsContact CA-OH 3.23Å; S272-Y324 WeakPolarHBondContact CA-OH 3.3Å; S272-Y324 WeakPolarHBondContact CB-OH 3.3Å; S272-Y324 PolarHBondContact O-OH 2.85Å; R275-Y324 HydrophobicContact CB-CD2 3.61Å; R275-Y324 HydrophobicContact CB-CE2 3.78Å; R275-Y324 HydrophobicContact CB-CG 4.08Å; R275-Y324 HydrophobicContact CG-CD2 4.14Å; R275-Y324 HydrophobicContact CG-CE2 4.36Å; V276-Y324 HydrophobicContact CB-CE1 4.44Å; V276-Y324 HydrophobicContact CG2-CD1 3.77Å; V276-Y324 HydrophobicContact CG2-CE1 3.07Å; A320-Y324 PolarHBondContact O-N 2.8Å; L321-Y324 PolarHBondContact O-N 2.97Å; L322-Y324 VanDerWaalsContact C-N 3.33Å; L322-Y324 PolarHBondContact O-N 2.79Å; Y324-F326 VanDerWaalsContact C-N 3.26Å; Y324-F326 PolarHBondContact O-N 2.86Å; Y324-V327 PolarHBondContact O-N 3.04Å; Y324-N328 HydrophobicContact CE1-CB 4.44Å; Y324-N328 VanDerWaalsContact O-CB 3.24Å; Y324-N328 WeakPolarHBondContact O-CB 3.42Å; Y324-N328 PolarHBondContact O-N 3.18Å
325	A	89.4	Confident	85.4	Confident	49 Å²	49	58.6 Å²	58.6	41%	0.405	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-38.3	177	0	0	0	0	0	111.8	L321 L322 E323 Y329	L321-A325 PolarHBondContact O-N 2.81Å; L321-A325 VanDerWaalsContact O-N 3.13Å; L322-A325 PolarHBondContact O-N 2.78Å; E323-A325 PolarHBondContact O-N 3.12Å; A325-Y329 VanDerWaalsContact O-CB 3.28Å; A325-Y329 WeakPolarHBondContact O-CB 3.45Å; A325-Y329 PolarHBondContact O-N 3.43Å
326	F	88	Confident	83.5	Confident	112 Å²	112	58.4 Å²	58.4	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-69.2	-44.6	176.6	-172.4	-106	0	0	0	112.3	L322 E323 Y324 N328 Y329 I330 I449	L322-F326 WeakPolarHBondContact O-CB 3.46Å; L322-F326 PolarHBondContact O-N 3.45Å; E323-F326 WeakPolarHBondContact O-CB 3.48Å; E323-F326 PolarHBondContact O-N 3.15Å; E323-F326 VanDerWaalsContact O-N 3.16Å; Y324-F326 VanDerWaalsContact C-N 3.26Å; Y324-F326 PolarHBondContact O-N 2.86Å; F326-N328 VanDerWaalsContact C-N 3.33Å; F326-N328 PolarHBondContact O-N 2.75Å; F326-Y329 PolarHBondContact O-N 3.01Å; F326-I330 HydrophobicContact CD1-CD1 3.78Å; F326-I330 HydrophobicContact CE1-CD1 3.26Å; F326-I330 HydrophobicContact CE1-CG1 4.35Å; F326-I330 HydrophobicContact CE2-CD1 4.19Å; F326-I330 HydrophobicContact CG-CD1 4.45Å; F326-I330 HydrophobicContact CZ-CD1 3.51Å; F326-I330 HydrophobicContact CZ-CG1 4.37Å; F326-I330 WeakPolarHBondContact O-CG1 3.49Å; F326-I330 PolarHBondContact O-N 3.27Å; F326-I449 HydrophobicContact CD1-CD1 4.22Å; F326-I449 HydrophobicContact CE1-CD1 4.04Å
327	V	85.8	Confident	81.4	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-56.5	-47.8	172.9	164.2	0	0	0	0	110.8	E323 Y324 Y329 I330 F331 V446 I449	E323-V327 WeakPolarHBondContact O-CG2 3.43Å; E323-V327 PolarHBondContact O-N 3.38Å; E323-V327 WeakPolarHBondContact OE1-CG2 3.39Å; Y324-V327 PolarHBondContact O-N 3.04Å; V327-Y329 PolarHBondContact O-N 3.37Å; V327-I330 PolarHBondContact O-N 3Å; V327-F331 WeakPolarHBondContact O-CB 3.31Å; V327-F331 PolarHBondContact O-N 2.76Å; V327-V446 HydrophobicContact CG1-CG1 3.56Å; V327-I449 HydrophobicContact CG2-CB 4.42Å; V327-I449 HydrophobicContact CG2-CG2 3.99Å
328	N	86.2	Confident	79.2	Confident	56 Å²	56	73.1 Å²	73.1	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-41.8	179.2	-163.3	29.1	0	0	0	111.7	Y324 F326 F331 F332	Y324-N328 HydrophobicContact CE1-CB 4.44Å; Y324-N328 VanDerWaalsContact O-CB 3.24Å; Y324-N328 WeakPolarHBondContact O-CB 3.42Å; Y324-N328 PolarHBondContact O-N 3.18Å; F326-N328 VanDerWaalsContact C-N 3.33Å; F326-N328 PolarHBondContact O-N 2.75Å; N328-F331 PolarHBondContact O-N 3.21Å; N328-F332 PolarHBondContact O-N 2.88Å; N328-F332 WeakPolarHBondContact OD1-CD2 3.42Å; N328-F332 WeakPolarHBondContact OD1-CE2 3.45Å
329	Y	86.5	Confident	76.9	Confident	148 Å²	148	75.2 Å²	75.2	58%	0.58	37%	0.374	S	S	*	.	H	α-helix	trans	-65.7	-41.7	177.6	178.3	-101.3	0	0	0	112.9	A325 F326 V327 G333	A325-Y329 VanDerWaalsContact O-CB 3.28Å; A325-Y329 WeakPolarHBondContact O-CB 3.45Å; A325-Y329 PolarHBondContact O-N 3.43Å; F326-Y329 PolarHBondContact O-N 3.01Å; V327-Y329 PolarHBondContact O-N 3.37Å; Y329-G333 WeakPolarHBondContact O-CA 3.37Å; Y329-G333 PolarHBondContact O-N 3.38Å
330	I	83.8	Confident	74.7	Confident	30 Å²	30	73.8 Å²	73.8	15%	0.154	38%	0.376	C	S	.	.	I	π-helix	trans	-65.7	-44	176.5	-70.7	176.8	0	0	0	110.4	F326 V327 K334 I449	F326-I330 HydrophobicContact CD1-CD1 3.78Å; F326-I330 HydrophobicContact CE1-CD1 3.26Å; F326-I330 HydrophobicContact CE1-CG1 4.35Å; F326-I330 HydrophobicContact CE2-CD1 4.19Å; F326-I330 HydrophobicContact CG-CD1 4.45Å; F326-I330 HydrophobicContact CZ-CD1 3.51Å; F326-I330 HydrophobicContact CZ-CG1 4.37Å; F326-I330 WeakPolarHBondContact O-CG1 3.49Å; F326-I330 PolarHBondContact O-N 3.27Å; V327-I330 PolarHBondContact O-N 3Å; I330-K334 WeakPolarHBondContact O-CB 3.34Å; I330-K334 PolarHBondContact O-N 2.86Å; I330-I449 HydrophobicContact CD1-CD1 3.82Å
331	F	78.4	Confident	72.7	Confident	76 Å²	76	76.1 Å²	76.1	33%	0.333	40%	0.395	S	S	.	.	I	π-helix	trans	-66.6	-53.8	-177.6	-175.2	-100.5	0	0	0	112.7	Y269 V327 N328 G335	Y269-F331 HydrophobicContact CD2-CE2 4.4Å; Y269-F331 HydrophobicContact CE2-CD2 4.3Å; Y269-F331 AromaticContact CE2-CE2 3.81Å; Y269-F331 HydrophobicContact CE2-CE2 3.81Å; Y269-F331 HydrophobicContact CE2-CZ 4.06Å; V327-F331 WeakPolarHBondContact O-CB 3.31Å; V327-F331 PolarHBondContact O-N 2.76Å; N328-F331 PolarHBondContact O-N 3.21Å; F331-G335 WeakPolarHBondContact O-CA 3.5Å; F331-G335 PolarHBondContact O-N 3.36Å
332	F	78.9	Confident	70.9	Confident	128 Å²	128	76.6 Å²	76.6	56%	0.561	40%	0.403	S	S	*	.	I	π-helix	trans	-87.6	-28.5	-177.8	-70.1	-79.5	0	0	0	114.3	N328 P336	N328-F332 PolarHBondContact O-N 2.88Å; N328-F332 WeakPolarHBondContact OD1-CD2 3.42Å; N328-F332 WeakPolarHBondContact OD1-CE2 3.45Å; F332-P336 WeakPolarHBondContact O-CD 3.24Å; F332-P336 VanDerWaalsContact O-CG 3.24Å; F332-P336 WeakPolarHBondContact O-CG 3.09Å
333	G	70.6	Confident	69.1	Low	27 Å²	27	79.8 Å²	79.8	28%	0.278	41%	0.413	S	S	.	.	I	π-helix	trans	-81	-40.2	-178.2	0	0	0	0	0	113.3	Y329	Y329-G333 WeakPolarHBondContact O-CA 3.37Å; Y329-G333 PolarHBondContact O-N 3.38Å
334	K	63.2	Low	67.4	Low	140 Å²	140	85.8 Å²	85.8	61%	0.609	44%	0.441	S	S	*	.	I	π-helix	trans	-100.8	-23.1	-178.9	-66.3	-177.6	175.5	172.5	0	114	I330	I330-K334 WeakPolarHBondContact O-CB 3.34Å; I330-K334 PolarHBondContact O-N 2.86Å
335	G	58.8	Low	66.1	Low	34 Å²	34	90.4 Å²	90.4	35%	0.351	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-36.3	-177.2	0	0	0	0	0	116.8	F331	F331-G335 WeakPolarHBondContact O-CA 3.5Å; F331-G335 PolarHBondContact O-N 3.36Å
336	P	55.6	Low	64.8	Low	73 Å²	73	94.6 Å²	94.6	47%	0.474	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-31	-178.2	-11.3	28.4	0	0	0	115.2	F332 K338 K339 G340	F332-P336 WeakPolarHBondContact O-CD 3.24Å; F332-P336 VanDerWaalsContact O-CG 3.24Å; F332-P336 WeakPolarHBondContact O-CG 3.09Å; P336-K338 VanDerWaalsContact C-N 3.32Å; P336-K338 PolarHBondContact O-N 2.96Å; P336-K339 PolarHBondContact O-N 3.4Å; P336-K339 VanDerWaalsContact O-N 3.09Å; P336-G340 PolarHBondContact O-N 2.96Å
337	Q	48.8	Very low	63.4	Low	161 Å²	161	92 Å²	92	75%	0.752	47%	0.474	S	S	*	.	H	α-helix	trans	-67.5	-29.1	-169.6	-77	-167.1	-18.8	0	0	113.8
338	K	48.6	Very low	62.5	Low	173 Å²	173	94 Å²	94	75%	0.752	49%	0.491	S	S	*	.	H	α-helix	trans	-74.5	-25.4	174.1	-81.6	-174.8	175.3	178.8	0	113.8	P336 S342	P336-K338 VanDerWaalsContact C-N 3.32Å; P336-K338 PolarHBondContact O-N 2.96Å; K338-S342 WeakPolarHBondContact O-CB 3.31Å; K338-S342 PolarHBondContact O-N 2.87Å; K338-S342 VanDerWaalsContact O-N 3.13Å; K338-S342 PolarHBondContact O-OG 3.08Å
339	K	46.2	Very low	61.5	Low	138 Å²	138	96.8 Å²	96.8	60%	0.6	51%	0.505	S	S	*	.	H	α-helix	trans	-75.4	-26.1	178.9	-79.9	-178.3	176.8	174.1	0	112.9	P336 K343	P336-K339 PolarHBondContact O-N 3.4Å; P336-K339 VanDerWaalsContact O-N 3.09Å; K339-K343 VanDerWaalsContact O-CB 3.28Å; K339-K343 WeakPolarHBondContact O-CB 3.41Å; K339-K343 WeakPolarHBondContact O-CG 3.45Å; K339-K343 PolarHBondContact O-N 3.42Å
340	G	46.9	Very low	60.3	Low	41 Å²	41	96.4 Å²	96.4	42%	0.423	51%	0.509	S	S	.	.	H	α-helix	trans	-71.3	-48.7	174.2	0	0	0	0	0	112.2	P336 Q344	P336-G340 PolarHBondContact O-N 2.96Å; G340-Q344 PolarHBondContact O-N 2.9Å
341	A	50.8	Low	59.3	Low	53 Å²	53	102.3 Å²	102.3	44%	0.438	53%	0.534	S	S	.	.	H	α-helix	trans	-66.9	-42.5	179.2	0	0	0	0	0	112.5	K343 Q344 D345	A341-K343 PolarHBondContact O-N 2.83Å; A341-Q344 PolarHBondContact O-N 3.18Å; A341-D345 PolarHBondContact O-N 2.87Å
342	S	53	Low	58.4	Low	54 Å²	54	103.3 Å²	103.3	38%	0.378	54%	0.543	S	S	.	.	H	α-helix	trans	-73.5	-26.4	179.9	65.5	0	0	0	0	113.9	K338 Q346	K338-S342 WeakPolarHBondContact O-CB 3.31Å; K338-S342 PolarHBondContact O-N 2.87Å; K338-S342 VanDerWaalsContact O-N 3.13Å; K338-S342 PolarHBondContact O-OG 3.08Å; S342-Q346 WeakPolarHBondContact O-CB 3.37Å; S342-Q346 VanDerWaalsContact O-CG 3.31Å; S342-Q346 WeakPolarHBondContact O-CG 3.34Å; S342-Q346 PolarHBondContact O-N 2.82Å
343	K	54.4	Low	57.5	Low	149 Å²	149	104.2 Å²	104.2	65%	0.648	55%	0.546	S	S	*	.	H	α-helix	trans	-75.7	-35.7	171.3	-83.5	-175.6	172.1	-175.2	0	111.8	K339 A341 Q346 S347	K339-K343 VanDerWaalsContact O-CB 3.28Å; K339-K343 WeakPolarHBondContact O-CB 3.41Å; K339-K343 WeakPolarHBondContact O-CG 3.45Å; K339-K343 PolarHBondContact O-N 3.42Å; A341-K343 PolarHBondContact O-N 2.83Å; K343-Q346 PolarHBondContact O-N 3.13Å; K343-S347 WeakPolarHBondContact O-CB 3.44Å; K343-S347 PolarHBondContact O-N 2.77Å; K343-S347 PolarHBondContact O-OG 3.03Å
344	Q	55.3	Low	56.8	Low	140 Å²	140	109.4 Å²	109.4	65%	0.654	57%	0.567	S	S	*	*	H	α-helix	trans	-63.8	-45.4	172	-105.6	173.1	-18.5	0	0	111.3	G340 A341 Q346 S347 A348	G340-Q344 PolarHBondContact O-N 2.9Å; A341-Q344 PolarHBondContact O-N 3.18Å; Q344-Q346 PolarHBondContact O-N 2.95Å; Q344-S347 PolarHBondContact O-N 3.1Å; Q344-S347 PolarHBondContact O-OG 2.75Å; Q344-A348 VanDerWaalsContact O-CB 3.26Å; Q344-A348 WeakPolarHBondContact O-CB 3.46Å; Q344-A348 PolarHBondContact O-N 3.17Å
345	D	59.1	Low	56.4	Low	115 Å²	115	109.8 Å²	109.8	62%	0.615	57%	0.571	S	S	*	*	H	α-helix	trans	-64.9	-39.1	175.8	-76	-23	0	0	0	112.7	A341 N349	A341-D345 PolarHBondContact O-N 2.87Å; D345-N349 WeakPolarHBondContact O-CB 3.32Å; D345-N349 PolarHBondContact O-N 3.05Å
346	Q	61.3	Low	56.1	Low	137 Å²	137	115.8 Å²	115.8	64%	0.64	59%	0.592	S	S	*	*	H	α-helix	trans	-66.2	-42.3	174.7	-79.9	175.9	1.7	0	0	112.2	S342 K343 Q344 N349 E350	S342-Q346 WeakPolarHBondContact O-CB 3.37Å; S342-Q346 VanDerWaalsContact O-CG 3.31Å; S342-Q346 WeakPolarHBondContact O-CG 3.34Å; S342-Q346 PolarHBondContact O-N 2.82Å; K343-Q346 PolarHBondContact O-N 3.13Å; Q344-Q346 PolarHBondContact O-N 2.95Å; Q346-N349 PolarHBondContact O-N 3.19Å; Q346-E350 VanDerWaalsContact O-CB 3.3Å; Q346-E350 WeakPolarHBondContact O-CB 3.46Å; Q346-E350 PolarHBondContact O-N 2.73Å
347	S	60.4	Low	55.7	Low	58 Å²	58	118.4 Å²	118.4	41%	0.406	60%	0.601	S	S	.	*	H	α-helix	trans	-71.7	-31.2	178.1	67.1	0	0	0	0	113.6	K343 Q344 K351	K343-S347 WeakPolarHBondContact O-CB 3.44Å; K343-S347 PolarHBondContact O-N 2.77Å; K343-S347 PolarHBondContact O-OG 3.03Å; Q344-S347 PolarHBondContact O-N 3.1Å; Q344-S347 PolarHBondContact O-OG 2.75Å; S347-K351 WeakPolarHBondContact O-CB 3.27Å; S347-K351 WeakPolarHBondContact O-CG 3.49Å; S347-K351 PolarHBondContact O-N 2.95Å
348	A	66.4	Low	55.3	Low	44 Å²	44	119 Å²	119	36%	0.364	60%	0.602	S	S	.	*	H	α-helix	trans	-72.3	-39.3	173.3	0	0	0	0	0	111.3	Q344 K351 N352	Q344-A348 VanDerWaalsContact O-CB 3.26Å; Q344-A348 WeakPolarHBondContact O-CB 3.46Å; Q344-A348 PolarHBondContact O-N 3.17Å; A348-K351 PolarHBondContact O-N 3Å; A348-N352 WeakPolarHBondContact O-CB 3.41Å; A348-N352 VanDerWaalsContact O-CG 3.28Å; A348-N352 PolarHBondContact O-N 3.3Å
349	N	63.8	Low	55.2	Low	113 Å²	113	114.3 Å²	114.3	60%	0.604	59%	0.587	S	S	*	*	H	α-helix	trans	-72.9	-31.2	177.5	-145.7	4.4	0	0	0	111.7	D345 Q346 K353	D345-N349 WeakPolarHBondContact O-CB 3.32Å; D345-N349 PolarHBondContact O-N 3.05Å; Q346-N349 PolarHBondContact O-N 3.19Å; N349-K353 VanDerWaalsContact O-CB 3.26Å; N349-K353 WeakPolarHBondContact O-CB 3.3Å; N349-K353 PolarHBondContact O-N 3.1Å
350	E	61.8	Low	54.9	Low	141 Å²	141	116.4 Å²	116.4	66%	0.659	60%	0.599	S	S	*	*	H	α-helix	trans	-71.5	-38.3	172.7	-159.5	171.7	-171.2	0	0	112	Q346 K353 L354	Q346-E350 VanDerWaalsContact O-CB 3.3Å; Q346-E350 WeakPolarHBondContact O-CB 3.46Å; Q346-E350 PolarHBondContact O-N 2.73Å; E350-K353 PolarHBondContact O-N 3.08Å; E350-L354 WeakPolarHBondContact O-CB 3.44Å; E350-L354 PolarHBondContact O-N 3.23Å
351	K	63	Low	54.8	Low	154 Å²	154	118 Å²	118	67%	0.67	60%	0.601	S	S	*	*	H	α-helix	trans	-65.6	-44.1	171.1	-79.5	-180	175.8	-178	0	113	S347 A348 K353 L354 E355	S347-K351 WeakPolarHBondContact O-CB 3.27Å; S347-K351 WeakPolarHBondContact O-CG 3.49Å; S347-K351 PolarHBondContact O-N 2.95Å; A348-K351 PolarHBondContact O-N 3Å; K351-K353 VanDerWaalsContact C-N 3.31Å; K351-K353 PolarHBondContact O-N 3.01Å; K351-L354 PolarHBondContact O-N 3.15Å; K351-E355 PolarHBondContact O-N 3.34Å
352	N	58.7	Low	54.3	Low	97 Å²	97	122.1 Å²	122.1	52%	0.519	62%	0.615	S	S	.	*	H	α-helix	trans	-65.8	-33.6	177.2	-74.5	-7.7	0	0	0	112.3	A348 M356	A348-N352 WeakPolarHBondContact O-CB 3.41Å; A348-N352 VanDerWaalsContact O-CG 3.28Å; A348-N352 PolarHBondContact O-N 3.3Å; N352-M356 VanDerWaalsContact O-CB 3.27Å; N352-M356 WeakPolarHBondContact O-CB 3.48Å; N352-M356 PolarHBondContact O-N 3.27Å
353	K	60.4	Low	54.4	Low	146 Å²	146	124.3 Å²	124.3	64%	0.635	64%	0.637	S	S	*	*	H	α-helix	trans	-74.3	-26.3	175.3	-150.2	177.6	-172.7	-173.5	0	112.6	N349 E350 K351 N357	N349-K353 VanDerWaalsContact O-CB 3.26Å; N349-K353 WeakPolarHBondContact O-CB 3.3Å; N349-K353 PolarHBondContact O-N 3.1Å; E350-K353 PolarHBondContact O-N 3.08Å; K351-K353 VanDerWaalsContact C-N 3.31Å; K351-K353 PolarHBondContact O-N 3.01Å; K353-N357 PolarHBondContact O-ND2 2.86Å
354	L	55.8	Low	54.2	Low	136 Å²	136	125.2 Å²	125.2	71%	0.712	64%	0.643	S	S	*	*	H	α-helix	trans	-77.2	-35.5	171.9	-138.2	90.4	0	0	0	112.1	E350 K351	E350-L354 WeakPolarHBondContact O-CB 3.44Å; E350-L354 PolarHBondContact O-N 3.23Å; K351-L354 PolarHBondContact O-N 3.15Å
355	E	55.3	Low	53.6	Low	149 Å²	149	121.4 Å²	121.4	70%	0.696	64%	0.641	S	S	*	*	H	α-helix	trans	-75.5	-34.6	175.6	-75.4	-157.9	146.9	0	0	113.1	K351 N357 K358	K351-E355 PolarHBondContact O-N 3.34Å; E355-N357 VanDerWaalsContact C-N 3.25Å; E355-N357 PolarHBondContact O-N 3.15Å; E355-K358 WeakPolarHBondContact O-CB 3.05Å; E355-K358 PolarHBondContact O-N 3.4Å
356	M	52	Low	52.9	Low	160 Å²	160	122.6 Å²	122.6	79%	0.788	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-14.1	177.6	-160	168.7	70.4	0	0	113.4	N352	N352-M356 VanDerWaalsContact O-CB 3.27Å; N352-M356 WeakPolarHBondContact O-CB 3.48Å; N352-M356 PolarHBondContact O-N 3.27Å
357	N	47	Very low	52.1	Low	127 Å²	127	121 Å²	121	68%	0.679	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	6.9	172.1	-84.1	-19.9	0	0	0	113.4	K353 E355 V359	K353-N357 PolarHBondContact O-ND2 2.86Å; E355-N357 VanDerWaalsContact C-N 3.25Å; E355-N357 PolarHBondContact O-N 3.15Å; N357-V359 PolarHBondContact O-N 2.93Å
358	K	42	Very low	51.1	Low	175 Å²	175	125.8 Å²	125.8	76%	0.761	66%	0.663	S	S	*	*	S	Bend	trans	-82.4	95.6	169	-127.8	178.6	-176.5	-180	0	108.3	E355 Q360	E355-K358 WeakPolarHBondContact O-CB 3.05Å; E355-K358 PolarHBondContact O-N 3.4Å; K358-Q360 PolarHBondContact O-N 3.49Å
359	V	45.2	Very low	49.8	Very low	74 Å²	74	130.7 Å²	130.7	45%	0.448	68%	0.682	S	S	.	*			trans	-51.9	123.4	176.5	177.2	0	0	0	0	110.1	N357 I367	N357-V359 PolarHBondContact O-N 2.93Å; V359-I367 HydrophobicContact CB-CG2 4.29Å; V359-I367 HydrophobicContact CG1-CG2 3.69Å
360	Q	40.8	Very low	48.6	Very low	181 Å²	181	131.1 Å²	131.1	85%	0.846	69%	0.694	S	S	*	*			trans	-62.5	134.6	170	-72.1	172.5	-44.4	0	0	109.7	K358	K358-Q360 PolarHBondContact O-N 3.49Å
361	V	43.9	Very low	47.5	Very low	76 Å²	76	130.3 Å²	130.3	46%	0.461	70%	0.699	S	S	.	*			trans	-117.7	115.1	175.8	-170.8	0	0	0	0	107.9	I367	V361-I367 HydrophobicContact CB-CG1 4.33Å; V361-I367 HydrophobicContact CG1-CD1 4.42Å; V361-I367 HydrophobicContact CG1-CG1 3.83Å; V361-I367 HydrophobicContact CG2-CB 4.5Å; V361-I367 HydrophobicContact CG2-CD1 3.62Å; V361-I367 HydrophobicContact CG2-CG1 3.56Å; V361-I367 HydrophobicContact CG2-CG2 4.46Å
362	D	41.9	Very low	46.1	Very low	138 Å²	138	131.3 Å²	131.3	74%	0.738	71%	0.711	S	S	*	*			trans	-70.1	161.3	175.2	-75.3	-30.2	0	0	0	111.9	H364 G365	D362-H364 PolarHBondContact O-N 2.92Å; D362-G365 PolarHBondContact O-N 2.94Å; D362-G365 VanDerWaalsContact O-N 3.15Å
363	A	54	Low	45	Very low	101 Å²	101	135.5 Å²	135.5	84%	0.835	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	8.4	-173.5	0	0	0	0	0	117
364	H	50.1	Low	43.8	Very low	168 Å²	168	136.6 Å²	136.6	78%	0.778	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	17.7	179.4	-66.8	85.9	0	0	0	113.8	D362 N366	D362-H364 PolarHBondContact O-N 2.92Å; H364-N366 PolarHBondContact O-N 3.45Å
365	G	42.1	Very low	42.8	Very low	60 Å²	60	140.3 Å²	140.3	62%	0.619	74%	0.743	S	S	*	*			trans	75.1	18.5	159.6	0	0	0	0	0	117.5	D362	D362-G365 PolarHBondContact O-N 2.94Å; D362-G365 VanDerWaalsContact O-N 3.15Å
366	N	44.8	Very low	41.7	Very low	139 Å²	139	139.8 Å²	139.8	74%	0.743	74%	0.744	S	S	*	*			trans	-110.6	123.1	176.9	-65	-33.7	0	0	0	111.1	H364	H364-N366 PolarHBondContact O-N 3.45Å
367	I	44	Very low	40.9	Very low	103 Å²	103	139.4 Å²	139.4	53%	0.528	74%	0.741	S	S	.	*			trans	-104.9	115.7	179.6	-50.8	-171.4	0	0	0	109.2	V359 V361 L369	V359-I367 HydrophobicContact CB-CG2 4.29Å; V359-I367 HydrophobicContact CG1-CG2 3.69Å; V361-I367 HydrophobicContact CB-CG1 4.33Å; V361-I367 HydrophobicContact CG1-CD1 4.42Å; V361-I367 HydrophobicContact CG1-CG1 3.83Å; V361-I367 HydrophobicContact CG2-CB 4.5Å; V361-I367 HydrophobicContact CG2-CD1 3.62Å; V361-I367 HydrophobicContact CG2-CG1 3.56Å; V361-I367 HydrophobicContact CG2-CG2 4.46Å; I367-L369 PolarHBondContact O-N 2.79Å
368	L	39.5	Very low	40.1	Very low	160 Å²	160	139.4 Å²	139.4	84%	0.838	75%	0.745	S	S	*	*			trans	-76.5	100.8	174.2	-89.5	161	0	0	0	110.2
369	L	40.2	Very low	39.6	Very low	147 Å²	147	137.2 Å²	137.2	77%	0.77	75%	0.752	S	S	*	*			trans	-95.8	102.3	179.2	-157.6	80.8	0	0	0	110	I367	I367-L369 PolarHBondContact O-N 2.79Å
370	S	38.7	Very low	39	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	77%	0.766	S	S	*	*			trans	-86	129.7	170.5	70.6	0	0	0	0	110.8
371	T	38.8	Very low	38.5	Very low	124 Å²	124	133.7 Å²	133.7	76%	0.761	76%	0.762	S	S	*	*			trans	-75.8	134.3	-161.1	43	0	0	0	0	115.8
372	L	33.6	Very low	38.1	Very low	176 Å²	176	138.4 Å²	138.4	92%	0.921	78%	0.779	S	S	*	*			trans	-115.8	98.4	159.6	-105.8	159.9	0	0	0	107.8
373	E	34.9	Very low	37.7	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	78%	0.777	S	S	*	*			trans	-81.4	131.6	175	-78.1	-170.4	138.5	0	0	111.4
374	I	36.5	Very low	36.7	Very low	169 Å²	169	139.5 Å²	139.5	87%	0.867	77%	0.774	S	S	*	*			trans	-103	123	168	-67.7	166.4	0	0	0	106.5
375	R	34.1	Very low	35.7	Very low	215 Å²	215	136.7 Å²	136.7	81%	0.811	77%	0.769	S	S	*	*			trans	-146.9	126.5	161.5	-156.3	168.8	172.9	150.8	-4.6	112.4	E377	R375-E377 IonicContact CZ-OE1 3.46Å; R375-E377 IonicContact NE-OE1 2.75Å; R375-E377 PolarHBondContact NE-OE1 3.3Å; R375-E377 IonicContact NH2-OE1 2.82Å; R375-E377 PolarHBondContact NH2-OE1 2.79Å; R375-E377 VanDerWaalsContact NH2-OE1 3.09Å
376	N	32.6	Very low	35.3	Very low	137 Å²	137	139.1 Å²	139.1	73%	0.733	78%	0.777	S	S	*	*			trans	-101.1	132.8	176.8	-173.3	26.5	0	0	0	106.9
377	E	33.6	Very low	34.9	Very low	152 Å²	152	138.4 Å²	138.4	71%	0.71	78%	0.777	S	S	*	*			trans	-139.5	136.4	164.2	-76	-158.6	179.1	0	0	112.1	R375	R375-E377 IonicContact CZ-OE1 3.46Å; R375-E377 IonicContact NE-OE1 2.75Å; R375-E377 PolarHBondContact NE-OE1 3.3Å; R375-E377 IonicContact NH2-OE1 2.82Å; R375-E377 PolarHBondContact NH2-OE1 2.79Å; R375-E377 VanDerWaalsContact NH2-OE1 3.09Å
378	T	31.6	Very low	34.4	Very low	127 Å²	127	138 Å²	138	78%	0.779	78%	0.784	S	S	*	*			trans	-97.2	163.7	-178.9	40.9	0	0	0	0	111.1
379	S	30.9	Very low	34.2	Very low	129 Å²	129	137.7 Å²	137.7	90%	0.902	78%	0.783	S	S	*	*			trans	125.5	141.1	134.7	-152.5	0	0	0	0	117.6
380	G	31.7	Very low	34.1	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	78%	0.778	S	S	*	*			trans	118.2	125	159.6	0	0	0	0	0	113.9
381	S	31.7	Very low	33.9	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	78%	0.78	S	S	*	*			cis	-172.2	167.1	-9.2	-175	0	0	0	0	106.2
382	E	34.2	Very low	33.8	Very low	175 Å²	175	138 Å²	138	82%	0.818	78%	0.78	S	S	*	*			trans	88	136.7	161.4	-50.1	-177.1	-176.4	0	0	117.8
383	V	34.4	Very low	34.1	Very low	115 Å²	115	135.8 Å²	135.8	70%	0.697	77%	0.773	S	S	*	*			cis	-171.9	152.1	-2.7	132.6	0	0	0	0	106.3
384	L	32.7	Very low	34.1	Very low	146 Å²	146	134.1 Å²	134.1	76%	0.764	77%	0.767	S	S	*	*			trans	86.1	96.7	158.9	-111.3	79.8	0	0	0	122.4
385	T	30.1	Very low	34.3	Very low	110 Å²	110	136.4 Å²	136.4	68%	0.675	77%	0.766	S	S	*	*				54.8	133.8	118.4	64.6	0	0	0	0	124.6
386	S	33.3	Very low	34.5	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	76%	0.762	S	S	*	*			trans	91	138	140.5	80.9	0	0	0	0	116.9
387	V	35.5	Very low	34.8	Very low	123 Å²	123	134.2 Å²	134.2	75%	0.745	77%	0.765	S	S	*	*			cis	-178.1	145	-6.6	131.2	0	0	0	0	104.6
388	S	34.7	Very low	35.1	Very low	96 Å²	96	133 Å²	133	67%	0.671	76%	0.764	S	S	*	*			trans	61.2	145.9	160.3	49.7	0	0	0	0	118.8
389	D	35.3	Very low	35.6	Very low	153 Å²	153	131.9 Å²	131.9	82%	0.818	76%	0.761	S	S	*	*			cis	-164.4	158.1	17.3	-113.4	-31.5	0	0	0	109.9
390	P	37.1	Very low	36.1	Very low	104 Å²	104	129.8 Å²	129.8	68%	0.675	75%	0.751	S	S	*	*			trans	-110.8	154.3	177.7	37.9	-27.3	0	0	0	113.8
391	K	34.9	Very low	36.5	Very low	205 Å²	205	131.5 Å²	131.5	89%	0.891	75%	0.752	S	S	*	*			trans	152.8	148.6	135	-88.5	170.3	174.6	170.5	0	115.7
392	A	36.7	Very low	36.9	Very low	90 Å²	90	134 Å²	134	74%	0.744	76%	0.755	S	S	*	*			trans	75.5	138.2	152.7	0	0	0	0	0	116.4
393	T	39.8	Very low	37.1	Very low	128 Å²	128	133.6 Å²	133.6	79%	0.785	75%	0.753	S	S	*	*			cis	-170.5	120.4	27	-15.9	0	0	0	0	106.5
394	M	34.2	Very low	37.3	Very low	149 Å²	149	138.5 Å²	138.5	73%	0.734	76%	0.761	S	S	*	*				59.4	118.6	99.8	-154.7	-177.8	91.4	0	0	117.9
395	Y	41.1	Very low	37.5	Very low	217 Å²	217	141.3 Å²	141.3	85%	0.851	76%	0.761	S	S	*	*			trans	-170.9	107.5	137.1	-84.2	-68.7	0	0	0	106.9
396	S	39	Very low	37.8	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	76%	0.763	S	S	*	*				74.1	134.8	80.6	-176.6	0	0	0	0	112.9
397	Y	37.7	Very low	38.1	Very low	203 Å²	203	143.6 Å²	143.6	80%	0.796	76%	0.758	S	S	*	*			cis	-173.4	178.5	-9.9	-158.1	-103.2	0	0	0	107.5
398	D	39.7	Very low	38	Very low	127 Å²	127	145.3 Å²	145.3	68%	0.679	76%	0.763	S	S	*	*			trans	89.3	103.8	166.3	-76.9	-41.5	0	0	0	119.5
399	S	42.9	Very low	38	Very low	102 Å²	102	146 Å²	146	71%	0.713	77%	0.767	S	S	*	*				94.6	137	63.1	68.3	0	0	0	0	110.7
400	A	42.1	Very low	38	Very low	85 Å²	85	143.6 Å²	143.6	70%	0.702	76%	0.763	S	S	*	*			cis	-158.6	158.3	15.4	0	0	0	0	0	111.7
401	S	40	Very low	37.8	Very low	109 Å²	109	147.7 Å²	147.7	76%	0.762	77%	0.765	S	S	*	*			trans	48.9	137.5	144.6	64.4	0	0	0	0	120.4
402	I	40.1	Very low	37.7	Very low	162 Å²	162	144.9 Å²	144.9	83%	0.831	76%	0.755	S	S	*	*				-157.8	148.4	56.4	-74.9	173.3	0	0	0	110.5
403	Q	38.9	Very low	37.5	Very low	166 Å²	166	143.9 Å²	143.9	78%	0.776	75%	0.747	S	S	*	*			trans	-71.3	155.6	-173.8	-60.4	157.9	-22.7	0	0	114.4
404	Y	38.3	Very low	37.2	Very low	219 Å²	219	149.4 Å²	149.4	86%	0.859	76%	0.755	S	S	*	*				-169.1	104.8	113.1	-119.6	-98.2	0	0	0	112.9
405	R	35.5	Very low	37.2	Very low	204 Å²	204	145.9 Å²	145.9	77%	0.77	76%	0.757	S	S	*	*				11.5	145.1	130	-94.3	-171.7	171.3	155.2	-0.4	117.8
406	K	38	Very low	36.8	Very low	164 Å²	164	147.7 Å²	147.7	71%	0.713	76%	0.762	S	S	*	*			cis	178.3	-172.3	25.5	-136.9	-176.3	-174.7	-175.8	0	108.8
407	P	38.4	Very low	36.6	Very low	105 Å²	105	146.6 Å²	146.6	68%	0.682	76%	0.759	S	S	*	*				-133.6	168.3	-100	47.9	-30.6	0	0	0	117.4
408	L	33.6	Very low	36.6	Very low	159 Å²	159	144.1 Å²	144.1	83%	0.832	76%	0.759	S	S	*	*				42.2	129.1	129.3	-143.6	82.9	0	0	0	123.6
409	S	35.7	Very low	36.4	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	76%	0.756	S	S	*	*				179.7	119.7	125.7	42.3	0	0	0	0	109.7
410	S	34	Very low	36.1	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	76%	0.756	S	S	*	*				64.5	138.3	88.6	-65.8	0	0	0	0	112.9
411	R	33.6	Very low	36	Very low	190 Å²	190	151.3 Å²	151.3	72%	0.717	76%	0.758	S	S	*	*			cis	-172.2	154.2	10.2	-122.5	168.7	95.6	144.9	7	106.6
412	E	32.7	Very low	35.8	Very low	146 Å²	146	149.9 Å²	149.9	68%	0.682	76%	0.761	S	S	*	*			trans	65.6	151.8	141.6	-71.2	170.5	157.9	0	0	120.6
413	A	33.3	Very low	36	Very low	70 Å²	70	149.1 Å²	149.1	58%	0.579	76%	0.763	S	S	*	*			cis	-178.2	171.3	-14.4	0	0	0	0	0	107.4
414	Y	31.7	Very low	36.1	Very low	243 Å²	243	146.8 Å²	146.8	95%	0.953	76%	0.762	S	S	*	*			trans	84.3	128.5	157.5	-80.6	-85.5	0	0	0	120.7
415	G	34.3	Very low	36	Very low	76 Å²	76	142.3 Å²	142.3	78%	0.784	76%	0.764	S	S	*	*			trans	151.8	71.9	153.4	0	0	0	0	0	115.9
416	R	32.6	Very low	35.9	Very low	254 Å²	254	142.5 Å²	142.5	96%	0.958	77%	0.77	S	S	*	*			trans	-66.6	148	164.1	-73.7	177.1	174.5	165.4	-2	110.5
417	A	35.4	Very low	35.9	Very low	81 Å²	81	138.1 Å²	138.1	67%	0.669	77%	0.772	S	S	*	*				174.2	133.7	119.6	0	0	0	0	0	112.8
418	L	38.7	Very low	36.1	Very low	152 Å²	152	145.2 Å²	145.2	80%	0.796	79%	0.785	S	S	*	*			trans	37.1	140.9	135.3	-68.9	105.7	0	0	0	118.9
419	D	34.5	Very low	36.5	Very low	115 Å²	115	145.3 Å²	145.3	62%	0.615	79%	0.785	S	S	*	*			cis	-171.7	149.5	26	-133.5	-12.4	0	0	0	111.9
420	R	37.7	Very low	36.7	Very low	188 Å²	188	150.9 Å²	150.9	71%	0.709	79%	0.789	S	S	*	*			trans	50.2	127.6	133.1	-85.3	171.8	137.9	169.6	-4.2	125.4
421	H	38.8	Very low	37.2	Very low	161 Å²	161	157.2 Å²	157.2	75%	0.745	80%	0.797	S	S	*	*				88.5	125.1	124.3	-78.9	-47.3	0	0	0	121.1
422	G	37.2	Very low	37.5	Very low	79 Å²	79	159 Å²	159	81%	0.814	80%	0.803	S	S	*	*			trans	157.6	83.5	155.3	0	0	0	0	0	115
423	V	42.6	Very low	37.6	Very low	146 Å²	146	156.4 Å²	156.4	89%	0.885	81%	0.807	S	S	*	*			trans	-74	164.3	-175.1	150.3	0	0	0	0	113.9
424	P	41.8	Very low	37.9	Very low	117 Å²	117	158.7 Å²	158.7	76%	0.76	82%	0.819	S	S	*	*			trans	-111.2	-179.8	-146.1	41.3	-30.9	0	0	0	114.9
425	S	35.1	Very low	38.5	Very low	126 Å²	126	156.1 Å²	156.1	88%	0.881	82%	0.815	S	S	*	*			trans	-153.5	146.2	157.9	-167.6	0	0	0	0	113.8
426	K	35.3	Very low	38.8	Very low	207 Å²	207	160.3 Å²	160.3	90%	0.9	82%	0.819	S	S	*	*			trans	-86.3	148.6	-161.2	-68.1	166.3	170.4	172	0	113.4
427	G	37.1	Very low	39	Very low	73 Å²	73	157.6 Å²	157.6	75%	0.753	81%	0.814	S	S	*	*			trans	-166.5	81.5	170	0	0	0	0	0	115.9
428	R	41.5	Very low	39.4	Very low	253 Å²	253	159.9 Å²	159.9	96%	0.955	82%	0.819	S	S	*	*			trans	44.5	105.6	150.7	-68.7	-180	176.3	-179.9	-0.6	120
429	I	43.5	Very low	39.3	Very low	162 Å²	162	161.7 Å²	161.7	83%	0.831	82%	0.821	S	S	*	*			trans	-100.8	126.3	159.2	-67.7	171.3	0	0	0	109.8
430	R	39.8	Very low	40	Very low	227 Å²	227	162.3 Å²	162.3	86%	0.857	82%	0.823	S	S	*	*			trans	-121.7	100.4	167.5	-170.8	-179.2	-173.5	-177.5	2.4	107.1
431	R	44.2	Very low	40.6	Very low	235 Å²	235	158 Å²	158	89%	0.887	82%	0.819	S	S	*	*			trans	-122.2	116.4	168.2	-87	-174.4	176.3	168.2	0	109.2
432	R	39.8	Very low	41.1	Very low	228 Å²	228	155.4 Å²	155.4	86%	0.86	81%	0.811	S	S	*	*			trans	-84.3	125.5	177.2	-107.4	179.4	169.9	176.4	-4.9	109.7
433	A	35.4	Very low	41.9	Very low	92 Å²	92	156.3 Å²	156.3	76%	0.76	80%	0.797	S	S	*	*			trans	-0.1	116	155.9	0	0	0	0	0	118.8
434	S	39.2	Very low	42.7	Very low	117 Å²	117	153.6 Å²	153.6	82%	0.818	78%	0.78	S	S	*	*			trans	-121.8	82	148.4	60.2	0	0	0	0	108.1	L436	S434-L436 PolarHBondContact O-N 3.33Å
435	Q	44.7	Very low	43.6	Very low	189 Å²	189	152 Å²	152	88%	0.883	77%	0.765	S	S	*	*			trans	-79	106.9	168.7	-73.5	-153.1	-0.2	0	0	109	K437	Q435-K437 PolarHBondContact O-N 3.35Å; Q435-K437 VanDerWaalsContact O-N 3.09Å
436	L	40.6	Very low	45	Very low	165 Å²	165	146.3 Å²	146.3	86%	0.864	73%	0.725	S	S	*	*			trans	-72	95	174.4	-144.5	112.2	0	0	0	108.1	S434 V438	S434-L436 PolarHBondContact O-N 3.33Å; L436-V438 PolarHBondContact O-N 3.28Å; L436-V438 VanDerWaalsContact O-N 3.15Å
437	K	35.5	Very low	46.7	Very low	197 Å²	197	140.3 Å²	140.3	86%	0.857	70%	0.703	S	S	*	*			trans	-68	103.1	178.8	-135	177.9	-173.6	-179.4	0	109.2	Q435 K439	Q435-K437 PolarHBondContact O-N 3.35Å; Q435-K437 VanDerWaalsContact O-N 3.09Å; K437-K439 PolarHBondContact O-N 3.17Å; K437-K439 VanDerWaalsContact O-N 3.08Å
438	V	44.2	Very low	48.5	Very low	128 Å²	128	139.3 Å²	139.3	78%	0.776	69%	0.685	S	S	*	*			trans	-66.9	102.1	166.4	177.2	0	0	0	0	107.4	L436 I440	L436-V438 PolarHBondContact O-N 3.28Å; L436-V438 VanDerWaalsContact O-N 3.15Å; V438-I440 PolarHBondContact O-N 3.37Å
439	K	36.6	Very low	50.3	Low	190 Å²	190	128.8 Å²	128.8	83%	0.826	65%	0.647	S	S	*	*			trans	-69.1	105.4	173.1	-88.9	-178.4	172.1	-176.9	0	109.2	K437	K437-K439 PolarHBondContact O-N 3.17Å; K437-K439 VanDerWaalsContact O-N 3.08Å
440	I	50	Low	52.1	Low	129 Å²	129	121.1 Å²	121.1	66%	0.662	61%	0.608	S	S	*	*			trans	-61.4	123.3	157.9	-59.8	164.1	0	0	0	106.2	V438 D442	V438-I440 PolarHBondContact O-N 3.37Å; I440-D442 PolarHBondContact O-N 3.4Å
441	P	49.5	Very low	54.1	Low	96 Å²	96	117.6 Å²	117.6	62%	0.623	60%	0.598	S	S	*	*			trans	-66.7	132	171.7	26.7	-29	0	0	0	109.1	L443	P441-L443 PolarHBondContact O-N 2.94Å
442	D	49.3	Very low	56.1	Low	107 Å²	107	114 Å²	114	57%	0.572	59%	0.585	S	S	*	*			trans	-55.7	101.8	-162.6	-78	-56.1	0	0	0	116.4	I440 T444 D445	I440-D442 PolarHBondContact O-N 3.4Å; D442-T444 WeakPolarHBondContact CB-OG1 3.38Å; D442-T444 VanDerWaalsContact CG-OG1 3.3Å; D442-T444 PolarHBondContact O-N 3.35Å; D442-T444 PolarHBondContact OD1-OG1 3.27Å; D442-D445 HydrophobicContact CB-CB 4Å; D442-D445 PolarHBondContact O-N 2.88Å
443	L	53.7	Low	58.3	Low	99 Å²	99	103.3 Å²	103.3	52%	0.518	55%	0.545	S	S	.	.	H	α-helix	trans	-58.7	-17	156	-84.5	128.3	0	0	0	112.2	Y269 P441 D445	Y269-L443 WeakPolarHBondContact OH-CD2 3.48Å; P441-L443 PolarHBondContact O-N 2.94Å; L443-D445 VanDerWaalsContact C-N 3.34Å
444	T	59.3	Low	60.8	Low	89 Å²	89	102.9 Å²	102.9	55%	0.546	52%	0.524	S	S	.	.	H	α-helix	trans	-72.1	-26.8	176.9	52.9	0	0	0	0	112.2	D442 S448	D442-T444 WeakPolarHBondContact CB-OG1 3.38Å; D442-T444 VanDerWaalsContact CG-OG1 3.3Å; D442-T444 PolarHBondContact O-N 3.35Å; D442-T444 PolarHBondContact OD1-OG1 3.27Å; T444-S448 VanDerWaalsContact O-CB 3.29Å; T444-S448 WeakPolarHBondContact O-CB 3.45Å; T444-S448 PolarHBondContact O-N 2.98Å
445	D	62.1	Low	63.1	Low	83 Å²	83	103.4 Å²	103.4	44%	0.444	52%	0.515	S	S	.	.	H	α-helix	trans	-73.9	-43.6	-174.4	-155	14.7	0	0	0	111.5	D442 L443 N447 S448 I449	D442-D445 HydrophobicContact CB-CB 4Å; D442-D445 PolarHBondContact O-N 2.88Å; L443-D445 VanDerWaalsContact C-N 3.34Å; D445-N447 PolarHBondContact O-N 3.01Å; D445-S448 WeakPolarHBondContact O-CB 3.46Å; D445-S448 PolarHBondContact O-N 2.75Å; D445-S448 PolarHBondContact O-OG 3.16Å; D445-S448 PolarHBondContact OD1-OG 2.65Å; D445-I449 WeakPolarHBondContact O-CG1 3.36Å; D445-I449 PolarHBondContact O-N 3.19Å; D445-I449 VanDerWaalsContact O-N 3.11Å
446	V	64.1	Low	65.3	Low	7 Å²	7	98.7 Å²	98.7	4%	0.042	49%	0.492	C	S	.	.	H	α-helix	trans	-63.2	-46.2	177	175.6	0	0	0	0	111.7	Y269 V327 S448 I449 D450	Y269-V446 HydrophobicContact CD1-CG1 3.87Å; Y269-V446 HydrophobicContact CG-CG1 4.03Å; V327-V446 HydrophobicContact CG1-CG1 3.56Å; V446-S448 PolarHBondContact O-N 3.4Å; V446-I449 PolarHBondContact O-N 3.43Å; V446-D450 PolarHBondContact O-N 2.71Å
447	N	70.2	Confident	67.7	Low	80 Å²	80	91.6 Å²	91.6	43%	0.428	45%	0.454	S	S	.	.	H	α-helix	trans	-66	-24.6	175	-81	-30.6	0	0	0	112.6	D445 K451	D445-N447 PolarHBondContact O-N 3.01Å; N447-K451 WeakPolarHBondContact O-CB 3.46Å; N447-K451 PolarHBondContact O-N 3.39Å
448	S	75.6	Confident	70.3	Confident	53 Å²	53	84.2 Å²	84.2	37%	0.371	43%	0.426	S	S	.	.	H	α-helix	trans	-72.8	-36	175.7	82	0	0	0	0	112.2	T444 D445 V446 K451 W452	T444-S448 VanDerWaalsContact O-CB 3.29Å; T444-S448 WeakPolarHBondContact O-CB 3.45Å; T444-S448 PolarHBondContact O-N 2.98Å; D445-S448 WeakPolarHBondContact O-CB 3.46Å; D445-S448 PolarHBondContact O-N 2.75Å; D445-S448 PolarHBondContact O-OG 3.16Å; D445-S448 PolarHBondContact OD1-OG 2.65Å; V446-S448 PolarHBondContact O-N 3.4Å; S448-K451 PolarHBondContact O-N 2.9Å; S448-W452 WeakPolarHBondContact O-CB 3.36Å; S448-W452 PolarHBondContact O-N 3.35Å
449	I	79.1	Confident	72.6	Confident	31 Å²	31	83.2 Å²	83.2	16%	0.159	42%	0.416	C	S	.	.	H	α-helix	trans	-64.3	-53.7	175.5	-63	164	0	0	0	109.6	F326 V327 I330 D445 V446 K451 W452 S453	F326-I449 HydrophobicContact CD1-CD1 4.22Å; F326-I449 HydrophobicContact CE1-CD1 4.04Å; V327-I449 HydrophobicContact CG2-CB 4.42Å; V327-I449 HydrophobicContact CG2-CG2 3.99Å; I330-I449 HydrophobicContact CD1-CD1 3.82Å; D445-I449 WeakPolarHBondContact O-CG1 3.36Å; D445-I449 PolarHBondContact O-N 3.19Å; D445-I449 VanDerWaalsContact O-N 3.11Å; V446-I449 PolarHBondContact O-N 3.43Å; I449-K451 PolarHBondContact O-N 3.11Å; I449-W452 PolarHBondContact O-N 3.22Å; I449-W452 VanDerWaalsContact O-N 3.08Å; I449-S453 WeakPolarHBondContact O-CB 3.19Å; I449-S453 PolarHBondContact O-N 3.03Å; I449-S453 PolarHBondContact O-OG 2.72Å
450	D	81.1	Confident	75.3	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-55.4	-41.4	176.2	-76.4	-40.1	0	0	0	110.5	R275 V446 W452 S453 R454	R275-D450 IonicContact CZ-OD1 2.83Å; R275-D450 IonicContact CZ-OD2 2.68Å; R275-D450 IonicContact NH1-OD1 2.81Å; R275-D450 PolarHBondContact NH1-OD1 3.46Å; R275-D450 IonicContact NH1-OD2 3.69Å; R275-D450 IonicContact NH2-OD1 2.86Å; R275-D450 PolarHBondContact NH2-OD1 3.12Å; R275-D450 IonicContact NH2-OD2 3.22Å; R275-D450 PolarHBondContact NH2-OD2 3.17Å; V446-D450 PolarHBondContact O-N 2.71Å; D450-W452 PolarHBondContact O-N 3.05Å; D450-S453 PolarHBondContact O-N 3.48Å; D450-R454 VanDerWaalsContact O-CG 3.22Å; D450-R454 WeakPolarHBondContact O-CG 3.38Å; D450-R454 PolarHBondContact O-N 3.01Å
451	K	83	Confident	77.4	Confident	153 Å²	153	70.2 Å²	70.2	67%	0.665	36%	0.357	S	S	*	.	H	α-helix	trans	-65.2	-38.7	179.2	-174.8	177.9	-178.5	-179	0	112.9	N447 S448 I449	N447-K451 WeakPolarHBondContact O-CB 3.46Å; N447-K451 PolarHBondContact O-N 3.39Å; S448-K451 PolarHBondContact O-N 2.9Å; I449-K451 PolarHBondContact O-N 3.11Å
452	W	84.7	Confident	79.5	Confident	160 Å²	160	69 Å²	69	61%	0.606	35%	0.351	S	S	*	.	H	α-helix	trans	-71.3	-43.3	176.2	-170.5	77.8	0	0	0	111	S448 I449 D450 R454 M455 F456	S448-W452 WeakPolarHBondContact O-CB 3.36Å; S448-W452 PolarHBondContact O-N 3.35Å; I449-W452 PolarHBondContact O-N 3.22Å; I449-W452 VanDerWaalsContact O-N 3.08Å; D450-W452 PolarHBondContact O-N 3.05Å; W452-R454 VanDerWaalsContact C-N 3.29Å; W452-R454 PolarHBondContact O-N 3.25Å; W452-M455 PolarHBondContact O-N 3.02Å; W452-F456 HydrophobicContact CD2-CB 4.23Å; W452-F456 HydrophobicContact CE3-CB 4.11Å; W452-F456 HydrophobicContact CE3-CG 4.36Å; W452-F456 HydrophobicContact CH2-CB 4.12Å; W452-F456 AromaticContact CH2-CD1 3.91Å; W452-F456 HydrophobicContact CH2-CD1 3.91Å; W452-F456 AromaticContact CH2-CD2 3.51Å; W452-F456 HydrophobicContact CH2-CD2 3.51Å; W452-F456 HydrophobicContact CH2-CE1 4.17Å; W452-F456 AromaticContact CH2-CE2 3.8Å; W452-F456 HydrophobicContact CH2-CE2 3.8Å; W452-F456 AromaticContact CH2-CG 3.56Å; W452-F456 HydrophobicContact CH2-CG 3.56Å; W452-F456 HydrophobicContact CH2-CZ 4.12Å; W452-F456 HydrophobicContact CZ2-CB 4.23Å; W452-F456 AromaticContact CZ2-CD2 3.58Å; W452-F456 HydrophobicContact CZ2-CD2 3.58Å; W452-F456 HydrophobicContact CZ2-CE2 4.08Å; W452-F456 AromaticContact CZ2-CG 3.93Å; W452-F456 HydrophobicContact CZ2-CG 3.93Å; W452-F456 HydrophobicContact CZ3-CB 4.05Å; W452-F456 AromaticContact CZ3-CD1 3.92Å; W452-F456 HydrophobicContact CZ3-CD1 3.92Å; W452-F456 HydrophobicContact CZ3-CD2 4.24Å; W452-F456 HydrophobicContact CZ3-CE1 4.43Å; W452-F456 AromaticContact CZ3-CG 3.8Å; W452-F456 HydrophobicContact CZ3-CG 3.8Å; W452-F456 WeakPolarHBondContact O-CB 3.39Å; W452-F456 PolarHBondContact O-N 2.93Å
453	S	86.8	Confident	81.6	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.028	35%	0.352	C	S	.	.	H	α-helix	trans	-56.7	-40.5	175.6	-61.5	0	0	0	0	112.2	E323 I449 D450 M455 F456 F457	E323-S453 WeakPolarHBondContact CG-OG 3.28Å; E323-S453 PolarHBondContact OE1-OG 3.26Å; I449-S453 WeakPolarHBondContact O-CB 3.19Å; I449-S453 PolarHBondContact O-N 3.03Å; I449-S453 PolarHBondContact O-OG 2.72Å; D450-S453 PolarHBondContact O-N 3.48Å; S453-M455 PolarHBondContact O-N 3.38Å; S453-M455 VanDerWaalsContact O-N 3.12Å; S453-F456 PolarHBondContact O-N 2.92Å; S453-F457 WeakPolarHBondContact O-CB 3.37Å; S453-F457 WeakPolarHBondContact O-CD2 3.25Å; S453-F457 PolarHBondContact O-N 3.49Å; S453-F457 VanDerWaalsContact O-N 3.09Å
454	R	88.4	Confident	83.6	Confident	82 Å²	82	66.9 Å²	66.9	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-57.2	-27.1	175.8	-74.9	170.1	-159.9	-178.3	6.5	114.4	F265 D450 W452 P458	F265-R454 HydrophobicContact CB-CG 3.83Å; F265-R454 VanDerWaalsContact O-CZ 3.28Å; F265-R454 PolarHBondContact O-NE 2.75Å; F265-R454 PolarHBondContact O-NH2 3.28Å; D450-R454 VanDerWaalsContact O-CG 3.22Å; D450-R454 WeakPolarHBondContact O-CG 3.38Å; D450-R454 PolarHBondContact O-N 3.01Å; W452-R454 VanDerWaalsContact C-N 3.29Å; W452-R454 PolarHBondContact O-N 3.25Å; R454-P458 VanDerWaalsContact O-CD 3.29Å; R454-P458 WeakPolarHBondContact O-CD 3.25Å; R454-P458 VanDerWaalsContact O-CG 3.31Å; R454-P458 WeakPolarHBondContact O-CG 3.4Å
455	M	86.7	Confident	85.2	Confident	128 Å²	128	63.8 Å²	63.8	63%	0.631	32%	0.317	S	S	*	.	H	α-helix	trans	-98.3	-43.4	179.2	-170.3	-175.9	-55.3	0	0	111.3	W452 S453 I459	W452-M455 PolarHBondContact O-N 3.02Å; S453-M455 PolarHBondContact O-N 3.38Å; S453-M455 VanDerWaalsContact O-N 3.12Å; M455-I459 HydrophobicContact CG-CD1 3.58Å; M455-I459 WeakPolarHBondContact O-CB 3.29Å; M455-I459 WeakPolarHBondContact O-CD1 3.29Å; M455-I459 WeakPolarHBondContact O-CG1 3.44Å; M455-I459 PolarHBondContact O-N 3.32Å; M455-I459 HydrophobicContact SD-CD1 4.43Å
456	F	90.8	Very high	86.7	Confident	91 Å²	91	63.4 Å²	63.4	40%	0.399	32%	0.318	S	S	.	.	H	α-helix	trans	-67	-45.3	-174.1	-176.7	-101	0	0	0	112.7	W452 S453 I459 T460	W452-F456 HydrophobicContact CD2-CB 4.23Å; W452-F456 HydrophobicContact CE3-CB 4.11Å; W452-F456 HydrophobicContact CE3-CG 4.36Å; W452-F456 HydrophobicContact CH2-CB 4.12Å; W452-F456 AromaticContact CH2-CD1 3.91Å; W452-F456 HydrophobicContact CH2-CD1 3.91Å; W452-F456 AromaticContact CH2-CD2 3.51Å; W452-F456 HydrophobicContact CH2-CD2 3.51Å; W452-F456 HydrophobicContact CH2-CE1 4.17Å; W452-F456 AromaticContact CH2-CE2 3.8Å; W452-F456 HydrophobicContact CH2-CE2 3.8Å; W452-F456 AromaticContact CH2-CG 3.56Å; W452-F456 HydrophobicContact CH2-CG 3.56Å; W452-F456 HydrophobicContact CH2-CZ 4.12Å; W452-F456 HydrophobicContact CZ2-CB 4.23Å; W452-F456 AromaticContact CZ2-CD2 3.58Å; W452-F456 HydrophobicContact CZ2-CD2 3.58Å; W452-F456 HydrophobicContact CZ2-CE2 4.08Å; W452-F456 AromaticContact CZ2-CG 3.93Å; W452-F456 HydrophobicContact CZ2-CG 3.93Å; W452-F456 HydrophobicContact CZ3-CB 4.05Å; W452-F456 AromaticContact CZ3-CD1 3.92Å; W452-F456 HydrophobicContact CZ3-CD1 3.92Å; W452-F456 HydrophobicContact CZ3-CD2 4.24Å; W452-F456 HydrophobicContact CZ3-CE1 4.43Å; W452-F456 AromaticContact CZ3-CG 3.8Å; W452-F456 HydrophobicContact CZ3-CG 3.8Å; W452-F456 WeakPolarHBondContact O-CB 3.39Å; W452-F456 PolarHBondContact O-N 2.93Å; S453-F456 PolarHBondContact O-N 2.92Å; F456-I459 PolarHBondContact O-N 3.37Å; F456-T460 HydrophobicContact CD1-CG2 4.23Å; F456-T460 HydrophobicContact CD2-CG2 4.06Å; F456-T460 HydrophobicContact CE1-CG2 3.89Å; F456-T460 HydrophobicContact CE2-CG2 3.7Å; F456-T460 HydrophobicContact CG-CG2 4.32Å; F456-T460 HydrophobicContact CZ-CG2 3.62Å; F456-T460 WeakPolarHBondContact O-CB 3.44Å; F456-T460 VanDerWaalsContact O-CG2 3.3Å; F456-T460 WeakPolarHBondContact O-CG2 3.45Å; F456-T460 PolarHBondContact O-N 2.91Å; F456-T460 PolarHBondContact O-OG1 3.08Å
457	F	90.6	Very high	88.2	Confident	16 Å²	16	67.2 Å²	67.2	7%	0.07	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-48.8	-177.1	-82.4	-99.1	0	0	0	112.9	F265 F316 L319 A320 S453 I459 T460 F461	F265-F457 HydrophobicContact CE1-CE2 4.32Å; F265-F457 HydrophobicContact CE2-CB 3.91Å; F265-F457 HydrophobicContact CE2-CD1 4.28Å; F265-F457 AromaticContact CE2-CD2 3.78Å; F265-F457 HydrophobicContact CE2-CD2 3.78Å; F265-F457 HydrophobicContact CE2-CE2 4.32Å; F265-F457 AromaticContact CE2-CG 3.74Å; F265-F457 HydrophobicContact CE2-CG 3.74Å; F265-F457 HydrophobicContact CZ-CB 4.44Å; F265-F457 HydrophobicContact CZ-CD1 4.02Å; F265-F457 AromaticContact CZ-CD2 3.61Å; F265-F457 HydrophobicContact CZ-CD2 3.61Å; F265-F457 HydrophobicContact CZ-CE1 4.08Å; F265-F457 AromaticContact CZ-CE2 3.68Å; F265-F457 HydrophobicContact CZ-CE2 3.68Å; F265-F457 AromaticContact CZ-CG 3.78Å; F265-F457 HydrophobicContact CZ-CG 3.78Å; F265-F457 AromaticContact CZ-CZ 3.91Å; F265-F457 HydrophobicContact CZ-CZ 3.91Å; F316-F457 HydrophobicContact CD1-CD1 4.44Å; L319-F457 HydrophobicContact CB-CE1 3.68Å; L319-F457 HydrophobicContact CB-CZ 3.95Å; A320-F457 HydrophobicContact CB-CE1 4.25Å; S453-F457 WeakPolarHBondContact O-CB 3.37Å; S453-F457 WeakPolarHBondContact O-CD2 3.25Å; S453-F457 PolarHBondContact O-N 3.49Å; S453-F457 VanDerWaalsContact O-N 3.09Å; F457-I459 PolarHBondContact O-N 3.45Å; F457-T460 PolarHBondContact O-N 2.96Å; F457-T460 PolarHBondContact O-OG1 2.92Å; F457-F461 WeakPolarHBondContact O-CB 3.32Å; F457-F461 PolarHBondContact O-N 3.29Å
458	P	90.9	Very high	89.3	Confident	42 Å²	42	63.8 Å²	63.8	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-39.3	177.5	-24.3	34.6	0	0	0	114.2	W262 R454 S462	W262-P458 HydrophobicContact CD2-CG 4.19Å; W262-P458 HydrophobicContact CE3-CB 4.2Å; W262-P458 HydrophobicContact CE3-CG 3.69Å; W262-P458 VanDerWaalsContact CH2-CA 3.45Å; W262-P458 HydrophobicContact CH2-CB 3.84Å; W262-P458 HydrophobicContact CH2-CG 4.14Å; W262-P458 HydrophobicContact CZ3-CB 3.62Å; W262-P458 HydrophobicContact CZ3-CG 3.66Å; R454-P458 VanDerWaalsContact O-CD 3.29Å; R454-P458 WeakPolarHBondContact O-CD 3.25Å; R454-P458 VanDerWaalsContact O-CG 3.31Å; R454-P458 WeakPolarHBondContact O-CG 3.4Å; P458-S462 VanDerWaalsContact O-CB 3.27Å; P458-S462 WeakPolarHBondContact O-CB 3.36Å; P458-S462 PolarHBondContact O-N 3.12Å
459	I	91.9	Very high	90.1	Very high	107 Å²	107	64.9 Å²	64.9	55%	0.549	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-47.1	179.8	-68.1	173.6	0	0	0	110.5	M455 F456 F457 S462 L463	M455-I459 HydrophobicContact CG-CD1 3.58Å; M455-I459 WeakPolarHBondContact O-CB 3.29Å; M455-I459 WeakPolarHBondContact O-CD1 3.29Å; M455-I459 WeakPolarHBondContact O-CG1 3.44Å; M455-I459 PolarHBondContact O-N 3.32Å; M455-I459 HydrophobicContact SD-CD1 4.43Å; F456-I459 PolarHBondContact O-N 3.37Å; F457-I459 PolarHBondContact O-N 3.45Å; I459-S462 PolarHBondContact O-N 3.25Å; I459-L463 WeakPolarHBondContact O-CB 3.41Å; I459-L463 PolarHBondContact O-N 3.09Å
460	T	93.4	Very high	90.7	Very high	35 Å²	35	68.4 Å²	68.4	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-66.6	-38.5	180	50.4	0	0	0	0	112.2	F316 F456 F457 L463 F464	F316-T460 WeakPolarHBondContact CE1-OG1 3.14Å; F456-T460 HydrophobicContact CD1-CG2 4.23Å; F456-T460 HydrophobicContact CD2-CG2 4.06Å; F456-T460 HydrophobicContact CE1-CG2 3.89Å; F456-T460 HydrophobicContact CE2-CG2 3.7Å; F456-T460 HydrophobicContact CG-CG2 4.32Å; F456-T460 HydrophobicContact CZ-CG2 3.62Å; F456-T460 WeakPolarHBondContact O-CB 3.44Å; F456-T460 VanDerWaalsContact O-CG2 3.3Å; F456-T460 WeakPolarHBondContact O-CG2 3.45Å; F456-T460 PolarHBondContact O-N 2.91Å; F456-T460 PolarHBondContact O-OG1 3.08Å; F457-T460 PolarHBondContact O-N 2.96Å; F457-T460 PolarHBondContact O-OG1 2.92Å; T460-L463 PolarHBondContact O-N 2.92Å; T460-F464 WeakPolarHBondContact O-CB 3.47Å; T460-F464 PolarHBondContact O-N 3.09Å
461	F	94.2	Very high	91.2	Very high	11 Å²	11	75.6 Å²	75.6	5%	0.048	37%	0.365	C	S	.	.	H	α-helix	trans	-67.8	-38.6	174.3	-177	-105.7	0	0	0	112.6	T255 T258 W262 F316 F457 F464 N465	T255-F461 HydrophobicContact CG2-CE1 4.03Å; T255-F461 HydrophobicContact CG2-CZ 4.24Å; T258-F461 HydrophobicContact CG2-CD2 3.82Å; T258-F461 HydrophobicContact CG2-CE2 3.69Å; T258-F461 HydrophobicContact CG2-CG 4.32Å; T258-F461 HydrophobicContact CG2-CZ 4.08Å; W262-F461 HydrophobicContact CH2-CB 3.96Å; W262-F461 AromaticContact CH2-CD1 3.7Å; W262-F461 HydrophobicContact CH2-CD1 3.7Å; W262-F461 HydrophobicContact CH2-CG 4.09Å; W262-F461 HydrophobicContact CZ2-CB 3.59Å; W262-F461 AromaticContact CZ2-CD1 3.83Å; W262-F461 HydrophobicContact CZ2-CD1 3.83Å; W262-F461 AromaticContact CZ2-CG 3.79Å; W262-F461 HydrophobicContact CZ2-CG 3.79Å; F316-F461 HydrophobicContact CD1-CB 4.47Å; F316-F461 AromaticContact CD2-CD2 3.63Å; F316-F461 HydrophobicContact CD2-CD2 3.63Å; F316-F461 HydrophobicContact CD2-CE2 4.33Å; F316-F461 HydrophobicContact CE1-CB 4.26Å; F316-F461 HydrophobicContact CE2-CB 4.49Å; F316-F461 AromaticContact CE2-CD2 3.84Å; F316-F461 HydrophobicContact CE2-CD2 3.84Å; F316-F461 HydrophobicContact CG-CD2 4.1Å; F316-F461 HydrophobicContact CZ-CB 4.27Å; F316-F461 HydrophobicContact CZ-CD2 4.44Å; F457-F461 WeakPolarHBondContact O-CB 3.32Å; F457-F461 PolarHBondContact O-N 3.29Å; F461-F464 HydrophobicContact CD2-CD1 4.42Å; F461-F464 HydrophobicContact CE2-CD1 4.44Å; F461-F464 PolarHBondContact O-N 2.96Å; F461-N465 WeakPolarHBondContact CD1-ND2 3.28Å; F461-N465 WeakPolarHBondContact CE1-ND2 3.31Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.49Å; F461-N465 WeakPolarHBondContact CZ-ND2 3.31Å; F461-N465 PolarHBondContact O-N 2.9Å; F461-N465 PolarHBondContact O-ND2 3.07Å
462	S	92.8	Very high	91.6	Very high	70 Å²	70	69.6 Å²	69.6	49%	0.49	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-45.9	174.2	-178.7	0	0	0	0	111.1	P458 I459 F464 N465 V466	P458-S462 VanDerWaalsContact O-CB 3.27Å; P458-S462 WeakPolarHBondContact O-CB 3.36Å; P458-S462 PolarHBondContact O-N 3.12Å; I459-S462 PolarHBondContact O-N 3.25Å; S462-F464 PolarHBondContact O-N 3.47Å; S462-N465 PolarHBondContact O-N 3.43Å; S462-V466 WeakPolarHBondContact O-CG2 3.27Å; S462-V466 PolarHBondContact O-N 3.16Å
463	L	94.6	Very high	91.6	Very high	112 Å²	112	65.9 Å²	65.9	59%	0.586	33%	0.333	S	S	*	.	H	α-helix	trans	-59.5	-45.1	174.5	-175.6	71.6	0	0	0	111.6	I459 T460 N465 V466 V467	I459-L463 WeakPolarHBondContact O-CB 3.41Å; I459-L463 PolarHBondContact O-N 3.09Å; T460-L463 PolarHBondContact O-N 2.92Å; L463-N465 VanDerWaalsContact C-N 3.34Å; L463-N465 PolarHBondContact O-N 2.72Å; L463-V466 PolarHBondContact O-N 2.8Å; L463-V467 HydrophobicContact CG-CG2 4.48Å; L463-V467 WeakPolarHBondContact O-CG2 3.38Å; L463-V467 PolarHBondContact O-N 3.3Å
464	F	94.8	Very high	91.2	Very high	49 Å²	49	73.9 Å²	73.9	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-56.7	-46.7	175.9	170.5	-101.6	0	0	0	111.9	Y309 F316 T460 F461 S462 V467 Y468	Y309-F464 AromaticContact CD2-CE1 4Å; Y309-F464 HydrophobicContact CD2-CE1 4Å; Y309-F464 HydrophobicContact CD2-CZ 4.44Å; Y309-F464 HydrophobicContact CE2-CE1 4.13Å; F316-F464 HydrophobicContact CE2-CB 3.92Å; F316-F464 HydrophobicContact CE2-CD1 4.07Å; F316-F464 HydrophobicContact CE2-CD2 4.48Å; F316-F464 AromaticContact CE2-CG 3.9Å; F316-F464 HydrophobicContact CE2-CG 3.9Å; F316-F464 HydrophobicContact CZ-CB 4.08Å; T460-F464 WeakPolarHBondContact O-CB 3.47Å; T460-F464 PolarHBondContact O-N 3.09Å; F461-F464 HydrophobicContact CD2-CD1 4.42Å; F461-F464 HydrophobicContact CE2-CD1 4.44Å; F461-F464 PolarHBondContact O-N 2.96Å; S462-F464 PolarHBondContact O-N 3.47Å; F464-V467 PolarHBondContact O-N 3.45Å; F464-Y468 WeakPolarHBondContact O-CB 3.4Å; F464-Y468 PolarHBondContact O-N 3.38Å
465	N	93.8	Very high	91.3	Very high	24 Å²	24	73.5 Å²	73.5	13%	0.128	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-45.6	177.3	-80.6	-88	0	0	0	111.4	Y309 F461 S462 L463 V467 Y468 W469	Y309-N465 WeakPolarHBondContact CE2-OD1 3.47Å; Y309-N465 PolarHBondContact OH-OD1 3.48Å; F461-N465 WeakPolarHBondContact CD1-ND2 3.28Å; F461-N465 WeakPolarHBondContact CE1-ND2 3.31Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.49Å; F461-N465 WeakPolarHBondContact CZ-ND2 3.31Å; F461-N465 PolarHBondContact O-N 2.9Å; F461-N465 PolarHBondContact O-ND2 3.07Å; S462-N465 PolarHBondContact O-N 3.43Å; L463-N465 VanDerWaalsContact C-N 3.34Å; L463-N465 PolarHBondContact O-N 2.72Å; N465-V467 PolarHBondContact O-N 2.91Å; N465-Y468 PolarHBondContact O-N 3.33Å; N465-W469 PolarHBondContact O-N 3.01Å
466	V	93.7	Very high	91.5	Very high	76 Å²	76	70.6 Å²	70.6	46%	0.461	36%	0.359	S	S	.	.	H	α-helix	trans	-58.7	-48.2	178.6	171	0	0	0	0	110.9	S462 L463 Y468 L470	S462-V466 WeakPolarHBondContact O-CG2 3.27Å; S462-V466 PolarHBondContact O-N 3.16Å; L463-V466 PolarHBondContact O-N 2.8Å; V466-Y468 PolarHBondContact O-N 3.49Å; V466-L470 HydrophobicContact CG1-CD1 3.71Å; V466-L470 HydrophobicContact CG1-CG 4.38Å; V466-L470 WeakPolarHBondContact O-CB 3.42Å; V466-L470 WeakPolarHBondContact O-CG 3.38Å; V466-L470 PolarHBondContact O-N 2.89Å
467	V	94.4	Very high	91.6	Very high	86 Å²	86	69.5 Å²	69.5	52%	0.521	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-43.7	178	173.3	0	0	0	0	111.1	L463 F464 N465 Y471	L463-V467 HydrophobicContact CG-CG2 4.48Å; L463-V467 WeakPolarHBondContact O-CG2 3.38Å; L463-V467 PolarHBondContact O-N 3.3Å; F464-V467 PolarHBondContact O-N 3.45Å; N465-V467 PolarHBondContact O-N 2.91Å; V467-Y471 VanDerWaalsContact O-CB 3.24Å; V467-Y471 WeakPolarHBondContact O-CB 3.21Å; V467-Y471 PolarHBondContact O-N 3.47Å
468	Y	93.7	Very high	91.6	Very high	8 Å²	8	72.6 Å²	72.6	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-59.1	-53.3	178.8	179.1	-92.6	0	0	0	112	Y251 A305 Y309 F464 N465 V466 Y471 Y472	Y251-Y468 AromaticContact CE1-CE1 3.72Å; Y251-Y468 HydrophobicContact CE1-CE1 3.72Å; Y251-Y468 PolarHBondContact OH-OH 2.94Å; A305-Y468 VanDerWaalsContact C-OH 3.3Å; A305-Y468 VanDerWaalsContact O-CE2 3.31Å; A305-Y468 WeakPolarHBondContact O-CE2 3.46Å; A305-Y468 PolarHBondContact O-OH 3.46Å; Y309-Y468 AromaticContact CD2-CD1 3.74Å; Y309-Y468 HydrophobicContact CD2-CD1 3.74Å; Y309-Y468 HydrophobicContact CD2-CD2 4.06Å; Y309-Y468 AromaticContact CD2-CE1 3.77Å; Y309-Y468 HydrophobicContact CD2-CE1 3.77Å; Y309-Y468 HydrophobicContact CD2-CE2 4.08Å; Y309-Y468 AromaticContact CD2-CG 3.9Å; Y309-Y468 HydrophobicContact CD2-CG 3.9Å; Y309-Y468 AromaticContact CD2-CZ 3.94Å; Y309-Y468 HydrophobicContact CE2-CD1 4.28Å; Y309-Y468 HydrophobicContact CG-CE1 4.32Å; Y309-Y468 HydrophobicContact CG-CE2 4.35Å; F464-Y468 WeakPolarHBondContact O-CB 3.4Å; F464-Y468 PolarHBondContact O-N 3.38Å; N465-Y468 PolarHBondContact O-N 3.33Å; V466-Y468 PolarHBondContact O-N 3.49Å; Y468-Y471 PolarHBondContact O-N 3.24Å; Y468-Y472 HydrophobicContact CD1-CD2 4.44Å; Y468-Y472 AromaticContact CD2-CD2 3.59Å; Y468-Y472 HydrophobicContact CD2-CD2 3.59Å; Y468-Y472 AromaticContact CD2-CE2 3.62Å; Y468-Y472 HydrophobicContact CD2-CE2 3.62Å; Y468-Y472 HydrophobicContact CE1-CD2 4.25Å; Y468-Y472 AromaticContact CE2-CD2 3.36Å; Y468-Y472 HydrophobicContact CE2-CD2 3.36Å; Y468-Y472 AromaticContact CE2-CE2 3.36Å; Y468-Y472 HydrophobicContact CE2-CE2 3.36Å; Y468-Y472 HydrophobicContact CE2-CG 4.47Å; Y468-Y472 HydrophobicContact CG-CD2 4.13Å; Y468-Y472 AromaticContact CZ-CD2 3.72Å; Y468-Y472 WeakPolarHBondContact O-CD2 3.42Å; Y468-Y472 PolarHBondContact O-N 2.77Å; Y468-Y472 VanDerWaalsContact O-N 3.08Å
469	W	92.4	Very high	91.7	Very high	76 Å²	76	74.6 Å²	74.6	29%	0.288	38%	0.38	S	S	.	.	H	α-helix	trans	-66.7	-40.3	-177.8	-71.8	110.1	0	0	0	111.5	L170 I247 Y251 N465 Y471 V473	L170-W469 HydrophobicContact CD1-CZ3 4.29Å; I247-W469 HydrophobicContact CG1-CH2 4.49Å; Y251-W469 HydrophobicContact CD1-CH2 4.22Å; Y251-W469 AromaticContact CD1-CZ2 3.88Å; Y251-W469 HydrophobicContact CD1-CZ2 3.88Å; Y251-W469 HydrophobicContact CD2-CH2 4.25Å; Y251-W469 HydrophobicContact CE1-CH2 4.25Å; Y251-W469 HydrophobicContact CE1-CZ2 4.17Å; Y251-W469 HydrophobicContact CE2-CH2 4.26Å; Y251-W469 HydrophobicContact CG-CH2 4.24Å; Y251-W469 HydrophobicContact CG-CZ2 4.13Å; N465-W469 PolarHBondContact O-N 3.01Å; W469-Y471 VanDerWaalsContact C-N 3.34Å; W469-Y471 PolarHBondContact O-N 3.29Å; W469-V473 HydrophobicContact CE3-CG2 3.74Å; W469-V473 HydrophobicContact CZ3-CG2 4.42Å; W469-V473 WeakPolarHBondContact O-CB 3.33Å; W469-V473 WeakPolarHBondContact O-CG2 3.38Å; W469-V473 PolarHBondContact O-N 3.46Å
470	L	92.2	Very high	91.7	Very high	105 Å²	105	72.4 Å²	72.4	55%	0.55	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-39	175.7	-72.1	174.2	0	0	0	112.5	V466 H474	V466-L470 HydrophobicContact CG1-CD1 3.71Å; V466-L470 HydrophobicContact CG1-CG 4.38Å; V466-L470 WeakPolarHBondContact O-CB 3.42Å; V466-L470 WeakPolarHBondContact O-CG 3.38Å; V466-L470 PolarHBondContact O-N 2.89Å; L470-H474 WeakPolarHBondContact O-CB 3.28Å; L470-H474 PolarHBondContact O-N 3.49Å
471	Y	92.1	Very high	91.6	Very high	153 Å²	153	75.1 Å²	75.1	60%	0.6	38%	0.38	S	S	*	.	H	α-helix	trans	-75.1	-32.7	-177.3	-177.5	-95.3	0	0	0	113.9	V467 Y468 W469 H474	V467-Y471 VanDerWaalsContact O-CB 3.24Å; V467-Y471 WeakPolarHBondContact O-CB 3.21Å; V467-Y471 PolarHBondContact O-N 3.47Å; Y468-Y471 PolarHBondContact O-N 3.24Å; W469-Y471 VanDerWaalsContact C-N 3.34Å; W469-Y471 PolarHBondContact O-N 3.29Å; Y471-H474 VanDerWaalsContact O-OXT 3.07Å
472	Y	89.9	Confident	91.3	Very high	27 Å²	27	80 Å²	80	11%	0.106	41%	0.405	C	S	.	.	H	α-helix	trans	-99.7	-21.6	-176.1	-73.9	-68.7	0	0	0	114.6	R167 A305 I308 Y468	R167-Y472 HydrophobicContact CG-CD1 4.44Å; A305-Y472 HydrophobicContact CB-CD1 3.45Å; A305-Y472 VanDerWaalsContact CB-CD1 3.45Å; A305-Y472 HydrophobicContact CB-CD2 4.2Å; A305-Y472 HydrophobicContact CB-CE1 3.24Å; A305-Y472 HydrophobicContact CB-CE2 4.03Å; A305-Y472 HydrophobicContact CB-CG 3.94Å; I308-Y472 WeakPolarHBondContact CD1-OH 3.36Å; Y468-Y472 HydrophobicContact CD1-CD2 4.44Å; Y468-Y472 AromaticContact CD2-CD2 3.59Å; Y468-Y472 HydrophobicContact CD2-CD2 3.59Å; Y468-Y472 AromaticContact CD2-CE2 3.62Å; Y468-Y472 HydrophobicContact CD2-CE2 3.62Å; Y468-Y472 HydrophobicContact CE1-CD2 4.25Å; Y468-Y472 AromaticContact CE2-CD2 3.36Å; Y468-Y472 HydrophobicContact CE2-CD2 3.36Å; Y468-Y472 AromaticContact CE2-CE2 3.36Å; Y468-Y472 HydrophobicContact CE2-CE2 3.36Å; Y468-Y472 HydrophobicContact CE2-CG 4.47Å; Y468-Y472 HydrophobicContact CG-CD2 4.13Å; Y468-Y472 AromaticContact CZ-CD2 3.72Å; Y468-Y472 WeakPolarHBondContact O-CD2 3.42Å; Y468-Y472 PolarHBondContact O-N 2.77Å; Y468-Y472 VanDerWaalsContact O-N 3.08Å
473	V	85.4	Confident	91.2	Very high	81 Å²	81	80.8 Å²	80.8	49%	0.491	40%	0.398	S	S	.	.	H	α-helix	trans	-86.8	-25.8	176.4	178.8	0	0	0	0	111.8	L170 W469	L170-V473 HydrophobicContact CD1-CG2 4.25Å; L170-V473 HydrophobicContact CD2-CG2 4.36Å; W469-V473 HydrophobicContact CE3-CG2 3.74Å; W469-V473 HydrophobicContact CZ3-CG2 4.42Å; W469-V473 WeakPolarHBondContact O-CB 3.33Å; W469-V473 WeakPolarHBondContact O-CG2 3.38Å; W469-V473 PolarHBondContact O-N 3.46Å
474	H	77.8	Confident	90.9	Very high	173 Å²	173	78 Å²	78	80%	0.801	38%	0.381	S	S	*	.			trans	-104.5	0	172	-65.4	5.6	0	0	0	109.9	R167 L470 Y471	R167-H474 PolarHBondContact NH1-OXT 3.15Å; L470-H474 WeakPolarHBondContact O-CB 3.28Å; L470-H474 PolarHBondContact O-N 3.49Å; Y471-H474 VanDerWaalsContact O-OXT 3.07Å

Retrieved 474 of 474 residues in 94.8 ms (Link to these results)

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