X5DNL6_HUMAN Loading...

Gamma-aminobutyric acid receptor subunit beta-1

AlphaFold DB (P18505), UniProt , Accession X5DNL6, Species HUMAN (Homo sapiens, Human), Gene GABRB1, Length 474 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 265.8 ms (Link to these results)

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