A0A087XQK7_POEFO Loading...

Gamma-aminobutyric acid type A receptor subunit alpha1

AlphaFold DB , UniProt , Accession A0A087XQK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 461 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	32	Very low	34.2	Very low	244 Å²	244	153.4 Å²	153.4	100%	1.202	85%	0.847	S	S	*	*				0	158.6	0	-67.8	162.8	83.8	0	0	108.3
2	C	34	Very low	34.1	Very low	141 Å²	141	150.2 Å²	150.2	95%	0.953	84%	0.835	S	S	*	*			trans	-13.7	146	-178.1	-62.1	0	0	0	0	119.3
3	G	34.3	Very low	33.9	Very low	77 Å²	77	154.5 Å²	154.5	79%	0.794	83%	0.83	S	S	*	*			cis	134.6	171.8	21.5	0	0	0	0	0	109.3
4	R	41.1	Very low	33.8	Very low	237 Å²	237	152.9 Å²	152.9	89%	0.894	83%	0.829	S	S	*	*			cis	-176.2	104.2	-3.9	173.4	-162.7	-175.9	176.7	2.2	111.6
5	S	37.3	Very low	33.5	Very low	108 Å²	108	155.2 Å²	155.2	76%	0.755	82%	0.823	S	S	*	*			trans	165.8	163.7	156.8	-91.8	0	0	0	0	110.6
6	R	38.4	Very low	33.3	Very low	232 Å²	232	154.3 Å²	154.3	88%	0.875	82%	0.818	S	S	*	*			cis	90.2	144.3	13.7	-62.8	-168.5	178.1	-161.2	-0.4	116.6
7	V	35.2	Very low	33.2	Very low	132 Å²	132	154.9 Å²	154.9	80%	0.8	82%	0.82	S	S	*	*			cis	-171.3	150	-14.2	135.1	0	0	0	0	106.1
8	A	29.6	Very low	33.2	Very low	101 Å²	101	152.2 Å²	152.2	84%	0.835	81%	0.81	S	S	*	*			trans	176.9	152.7	140.6	0	0	0	0	0	112.8
9	S	30.8	Very low	33.2	Very low	106 Å²	106	150.5 Å²	150.5	74%	0.741	81%	0.806	S	S	*	*			trans	-159	168.3	-179.1	-175.6	0	0	0	0	110.5
10	L	31.5	Very low	33.1	Very low	133 Å²	133	148.5 Å²	148.5	70%	0.696	80%	0.804	S	S	*	*			trans	85.8	155.9	160.2	-66.2	131.9	0	0	0	121.9
11	F	31.8	Very low	33	Very low	176 Å²	176	147.5 Å²	147.5	77%	0.772	81%	0.809	S	S	*	*			trans	81.3	119.5	167.9	-56.1	-75.3	0	0	0	117.5
12	V	33.7	Very low	33.3	Very low	115 Å²	115	142.4 Å²	142.4	70%	0.697	79%	0.791	S	S	*	*			cis	100.6	122.4	20.9	-179.8	0	0	0	0	114.5
13	W	31	Very low	33.2	Very low	206 Å²	206	143 Å²	143	78%	0.78	78%	0.784	S	S	*	*			trans	80.7	121.1	156.8	-90.3	34.8	0	0	0	123.6
14	T	32.3	Very low	33.1	Very low	133 Å²	133	145.5 Å²	145.5	82%	0.816	78%	0.784	S	S	*	*				174.4	119.9	114.8	35	0	0	0	0	107.3
15	Y	29.3	Very low	32.5	Very low	187 Å²	187	137.9 Å²	137.9	73%	0.733	78%	0.78	S	S	*	*				77.6	130.5	55.6	-113.5	-78.3	0	0	0	116.7
16	L	30.3	Very low	32.5	Very low	141 Å²	141	143.2 Å²	143.2	74%	0.738	79%	0.789	S	S	*	*			trans	80.2	112.2	165.4	-84.7	142	0	0	0	122.3	V18	L16-V18 HydrophobicContact CD2-CG2 4.26Å
17	L	32.3	Very low	32	Very low	165 Å²	165	137.8 Å²	137.8	86%	0.864	79%	0.787	S	S	*	*				-172.5	91.7	129.3	-99.6	167.4	0	0	0	108.3
18	V	33.1	Very low	32.2	Very low	105 Å²	105	137.2 Å²	137.2	64%	0.636	79%	0.789	S	S	*	*				76	91.3	96.5	178.5	0	0	0	0	115.2	L16	L16-V18 HydrophobicContact CD2-CG2 4.26Å
19	T	33.6	Very low	32.9	Very low	120 Å²	120	135.7 Å²	135.7	74%	0.736	78%	0.782	S	S	*	*			trans	9.1	141.1	143.5	54.6	0	0	0	0	123.4
20	S	31.2	Very low	33.2	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	79%	0.79	S	S	*	*			trans	107.8	112.2	135	78.8	0	0	0	0	119.2
21	S	31.1	Very low	33.6	Very low	129 Å²	129	139.5 Å²	139.5	90%	0.902	79%	0.789	S	S	*	*			trans	-161.7	117.3	138.9	-78.9	0	0	0	0	108.5
22	V	36.8	Very low	34.1	Very low	137 Å²	137	134 Å²	134	83%	0.83	78%	0.782	S	S	*	*			trans	-90.9	135.1	174.5	167.4	0	0	0	0	108
23	L	32.7	Very low	34.6	Very low	153 Å²	153	136 Å²	136	80%	0.801	79%	0.786	S	S	*	*			trans	-164.8	132.3	139.1	-125.6	95.7	0	0	0	113.4
24	T	32.8	Very low	35.6	Very low	130 Å²	130	129.7 Å²	129.7	80%	0.798	77%	0.77	S	S	*	*			trans	49.2	106.1	150.8	52.5	0	0	0	0	121
25	G	28.8	Very low	36.6	Very low	77 Å²	77	127.5 Å²	127.5	79%	0.794	75%	0.754	S	S	*	*			trans	-157.8	65.2	162.4	0	0	0	0	0	111.7	S27	G25-S27 PolarHBondContact O-N 3.04Å
26	K	35.4	Very low	37.9	Very low	219 Å²	219	125.6 Å²	125.6	95%	0.952	75%	0.751	S	S	*	*			trans	-80	83.9	-175.4	-164.1	180	-171.1	-179.4	0	110.8
27	S	29.7	Very low	39.1	Very low	118 Å²	118	125 Å²	125	83%	0.825	75%	0.745	S	S	*	*			trans	-90.8	120.7	167.4	-168.1	0	0	0	0	110.2	G25	G25-S27 PolarHBondContact O-N 3.04Å
28	S	38.8	Very low	40.4	Very low	121 Å²	121	123.1 Å²	123.1	85%	0.846	73%	0.729	S	S	*	*			trans	-91.3	134.6	173.6	-175.1	0	0	0	0	109.8
29	G	43	Very low	42.1	Very low	68 Å²	68	123.6 Å²	123.6	70%	0.701	73%	0.728	S	S	*	*			trans	116.8	89	163.3	0	0	0	0	0	115.9
30	Q	38.8	Very low	44.3	Very low	191 Å²	191	121.6 Å²	121.6	89%	0.893	71%	0.713	S	S	*	*			trans	177	68.7	134.2	-98.6	-179.1	4.8	0	0	111.4
31	N	39.4	Very low	46.8	Very low	128 Å²	128	120.3 Å²	120.3	68%	0.684	70%	0.701	S	S	*	*			trans	-113.8	-10.2	166.8	-89.6	15	0	0	0	113.9	M33 T34	N31-M33 VanDerWaalsContact C-N 3.32Å; N31-M33 PolarHBondContact O-N 3.05Å; N31-T34 PolarHBondContact O-N 2.65Å; N31-T34 PolarHBondContact O-OG1 3.43Å; N31-T34 VanDerWaalsContact O-OG1 3.05Å
32	G	42.8	Very low	49.4	Very low	61 Å²	61	117.4 Å²	117.4	63%	0.629	68%	0.678	S	S	*	*	H	α-helix	trans	-65.6	-28.9	-174	0	0	0	0	0	115	T34	G32-T34 VanDerWaalsContact C-N 3.33Å; G32-T34 PolarHBondContact O-N 3.31Å
33	M	42.9	Very low	51.9	Low	158 Å²	158	113.8 Å²	113.8	78%	0.778	66%	0.656	S	S	*	*	H	α-helix	trans	-76.9	-17.7	-175.3	-152.8	76.2	174.9	0	0	113.6	N31	N31-M33 VanDerWaalsContact C-N 3.32Å; N31-M33 PolarHBondContact O-N 3.05Å
34	T	51.9	Low	54.5	Low	73 Å²	73	110.2 Å²	110.2	45%	0.448	63%	0.634	S	S	.	*	H	α-helix	trans	-99.8	-20.5	-168.7	38	0	0	0	0	115.5	N31 G32 K38	N31-T34 PolarHBondContact O-N 2.65Å; N31-T34 PolarHBondContact O-OG1 3.43Å; N31-T34 VanDerWaalsContact O-OG1 3.05Å; G32-T34 VanDerWaalsContact C-N 3.33Å; G32-T34 PolarHBondContact O-N 3.31Å; T34-K38 WeakPolarHBondContact O-CD 3.33Å; T34-K38 WeakPolarHBondContact O-CE 3.26Å; T34-K38 VanDerWaalsContact O-CG 3.28Å; T34-K38 WeakPolarHBondContact O-CG 3.28Å
35	D	54.4	Low	57.2	Low	87 Å²	87	107.4 Å²	107.4	47%	0.465	62%	0.617	S	S	.	*	H	α-helix	trans	-94.9	-42.9	-176.2	-68.9	-26.4	0	0	0	112.2	Q37 K38 D39	D35-Q37 PolarHBondContact O-N 3.42Å; D35-K38 PolarHBondContact O-N 3.3Å; D35-K38 VanDerWaalsContact O-N 3.12Å; D35-K38 IonicContact OD1-NZ 3.18Å; D35-K38 PolarHBondContact OD1-NZ 3.07Å; D35-D39 PolarHBondContact O-N 3.41Å
36	E	55.7	Low	60.1	Low	147 Å²	147	110.7 Å²	110.7	69%	0.687	61%	0.609	S	S	*	*	H	α-helix	trans	-56.9	-36.1	172	-67.5	-171.3	156.7	0	0	112.4	N40	E36-N40 PolarHBondContact O-N 3.37Å; E36-N40 VanDerWaalsContact O-N 3.09Å; E36-N40 PolarHBondContact O-ND2 3.34Å
37	Q	55.7	Low	62.7	Low	128 Å²	128	101.3 Å²	101.3	60%	0.598	57%	0.569	S	S	*	*	H	α-helix	trans	-77.6	-24.9	-178.4	-161.9	160.4	-8.4	0	0	113	D35 T41	D35-Q37 PolarHBondContact O-N 3.42Å; Q37-T41 PolarHBondContact O-N 2.83Å; Q37-T41 PolarHBondContact O-OG1 3.17Å
38	K	59	Low	65.6	Low	125 Å²	125	97.9 Å²	97.9	54%	0.543	54%	0.541	S	S	.	.	H	α-helix	trans	-74.2	-42.7	169	-75	170.2	-166.8	158.2	0	111.8	T34 D35 T41 T42	T34-K38 WeakPolarHBondContact O-CD 3.33Å; T34-K38 WeakPolarHBondContact O-CE 3.26Å; T34-K38 VanDerWaalsContact O-CG 3.28Å; T34-K38 WeakPolarHBondContact O-CG 3.28Å; D35-K38 PolarHBondContact O-N 3.3Å; D35-K38 VanDerWaalsContact O-N 3.12Å; D35-K38 IonicContact OD1-NZ 3.18Å; D35-K38 PolarHBondContact OD1-NZ 3.07Å; K38-T41 PolarHBondContact O-N 3.12Å; K38-T42 PolarHBondContact O-N 3.2Å; K38-T42 PolarHBondContact O-OG1 3.01Å
39	D	69.7	Low	68	Low	115 Å²	115	97.4 Å²	97.4	62%	0.615	53%	0.529	S	S	*	.	H	α-helix	trans	-60.3	-48.4	178.2	-105.4	-15	0	0	0	110.9	D35 T41 T42 V43	D35-D39 PolarHBondContact O-N 3.41Å; D39-T41 VanDerWaalsContact C-N 3.33Å; D39-T41 PolarHBondContact O-N 2.97Å; D39-T42 PolarHBondContact O-N 3.01Å; D39-T42 VanDerWaalsContact O-N 3.1Å; D39-V43 WeakPolarHBondContact O-CG2 3.44Å; D39-V43 PolarHBondContact O-N 3.17Å
40	N	79.4	Confident	70.3	Confident	78 Å²	78	98.2 Å²	98.2	42%	0.417	53%	0.525	S	S	.	.	H	α-helix	trans	-54.3	-47.7	174.4	-80.6	-58.2	0	0	0	112	E36 T42 V43 F44	E36-N40 PolarHBondContact O-N 3.37Å; E36-N40 VanDerWaalsContact O-N 3.09Å; E36-N40 PolarHBondContact O-ND2 3.34Å; N40-T42 VanDerWaalsContact C-N 3.3Å; N40-T42 PolarHBondContact O-N 3.09Å; N40-V43 WeakPolarHBondContact O-CB 3.09Å; N40-V43 PolarHBondContact O-N 2.94Å; N40-V43 VanDerWaalsContact O-N 3.17Å; N40-F44 WeakPolarHBondContact O-CD2 3.46Å; N40-F44 PolarHBondContact O-N 3.1Å
41	T	83.9	Confident	72.8	Confident	83 Å²	83	89.7 Å²	89.7	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-39.8	178.1	-56.1	0	0	0	0	112.1	Q37 K38 D39 F44 T45	Q37-T41 PolarHBondContact O-N 2.83Å; Q37-T41 PolarHBondContact O-OG1 3.17Å; K38-T41 PolarHBondContact O-N 3.12Å; D39-T41 VanDerWaalsContact C-N 3.33Å; D39-T41 PolarHBondContact O-N 2.97Å; T41-F44 WeakPolarHBondContact O-CB 3.47Å; T41-F44 PolarHBondContact O-N 3.18Å; T41-T45 PolarHBondContact O-N 2.76Å; T41-T45 VanDerWaalsContact O-N 3.12Å; T41-T45 PolarHBondContact O-OG1 2.83Å
42	T	87.1	Confident	75.3	Confident	68 Å²	68	85.4 Å²	85.4	42%	0.417	46%	0.462	S	S	.	.	H	α-helix	trans	-68.4	-35.1	177.7	-54.1	0	0	0	0	111.9	K38 D39 N40 T45 K46	K38-T42 PolarHBondContact O-N 3.2Å; K38-T42 PolarHBondContact O-OG1 3.01Å; D39-T42 PolarHBondContact O-N 3.01Å; D39-T42 VanDerWaalsContact O-N 3.1Å; N40-T42 VanDerWaalsContact C-N 3.3Å; N40-T42 PolarHBondContact O-N 3.09Å; T42-T45 PolarHBondContact O-N 2.78Å; T42-K46 WeakPolarHBondContact O-CG 3.28Å; T42-K46 PolarHBondContact O-N 3.45Å
43	V	88.1	Confident	77.8	Confident	62 Å²	62	89.4 Å²	89.4	38%	0.376	47%	0.469	S	S	.	.	H	α-helix	trans	-64.1	-43.7	172	172.1	0	0	0	0	111.2	D39 N40 T45 K46 I47	D39-V43 WeakPolarHBondContact O-CG2 3.44Å; D39-V43 PolarHBondContact O-N 3.17Å; N40-V43 WeakPolarHBondContact O-CB 3.09Å; N40-V43 PolarHBondContact O-N 2.94Å; N40-V43 VanDerWaalsContact O-N 3.17Å; V43-T45 PolarHBondContact O-N 2.9Å; V43-K46 PolarHBondContact O-N 3.45Å; V43-I47 HydrophobicContact CG1-CD1 3.89Å; V43-I47 WeakPolarHBondContact O-CG1 3.34Å; V43-I47 PolarHBondContact O-N 2.97Å
44	F	87.1	Confident	80.1	Confident	78 Å²	78	85.7 Å²	85.7	34%	0.342	47%	0.471	S	S	.	.	H	α-helix	trans	-57.3	-47.3	174.2	-78.5	-78.4	0	0	0	112.3	N40 T41 I47 L48 M110 L113	N40-F44 WeakPolarHBondContact O-CD2 3.46Å; N40-F44 PolarHBondContact O-N 3.1Å; T41-F44 WeakPolarHBondContact O-CB 3.47Å; T41-F44 PolarHBondContact O-N 3.18Å; F44-I47 PolarHBondContact O-N 2.73Å; F44-L48 VanDerWaalsContact O-CG 3.32Å; F44-L48 WeakPolarHBondContact O-CG 3.37Å; F44-L48 PolarHBondContact O-N 3.08Å; F44-M110 HydrophobicContact CD1-CE 3.74Å; F44-M110 HydrophobicContact CD1-SD 4.22Å; F44-M110 HydrophobicContact CE1-CE 3.12Å; F44-M110 HydrophobicContact CE1-CG 3.95Å; F44-M110 HydrophobicContact CE1-SD 3.71Å; F44-M110 HydrophobicContact CE2-CE 4.32Å; F44-M110 HydrophobicContact CZ-CE 3.45Å; F44-M110 VanDerWaalsContact CZ-CE 3.45Å; F44-L113 HydrophobicContact CD1-CD2 3.94Å; F44-L113 HydrophobicContact CE1-CD2 4.1Å
45	T	89.2	Confident	82.2	Confident	70 Å²	70	83.7 Å²	83.7	43%	0.429	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-45.4	179.4	-53.3	0	0	0	0	111.4	T41 T42 V43 I47 L48 D49	T41-T45 PolarHBondContact O-N 2.76Å; T41-T45 VanDerWaalsContact O-N 3.12Å; T41-T45 PolarHBondContact O-OG1 2.83Å; T42-T45 PolarHBondContact O-N 2.78Å; V43-T45 PolarHBondContact O-N 2.9Å; T45-I47 VanDerWaalsContact C-N 3.32Å; T45-I47 PolarHBondContact O-N 2.86Å; T45-L48 PolarHBondContact O-N 3.02Å; T45-L48 VanDerWaalsContact O-N 3.1Å; T45-D49 PolarHBondContact O-N 3.26Å
46	K	90.3	Very high	84.1	Confident	146 Å²	146	81.5 Å²	81.5	64%	0.635	44%	0.444	S	S	*	.	H	α-helix	trans	-58.6	-40.3	175.2	-74.3	174.2	177.5	176	0	112.8	T42 V43 S50	T42-K46 WeakPolarHBondContact O-CG 3.28Å; T42-K46 PolarHBondContact O-N 3.45Å; V43-K46 PolarHBondContact O-N 3.45Å; K46-S50 WeakPolarHBondContact O-CB 3.24Å; K46-S50 PolarHBondContact O-N 2.92Å
47	I	91.1	Very high	86	Confident	22 Å²	22	77.8 Å²	77.8	11%	0.113	43%	0.428	C	S	.	.	H	α-helix	trans	-63.3	-44.9	174.8	-69.5	166.3	0	0	0	110.5	V43 F44 T45 L51 F106 L113	V43-I47 HydrophobicContact CG1-CD1 3.89Å; V43-I47 WeakPolarHBondContact O-CG1 3.34Å; V43-I47 PolarHBondContact O-N 2.97Å; F44-I47 PolarHBondContact O-N 2.73Å; T45-I47 VanDerWaalsContact C-N 3.32Å; T45-I47 PolarHBondContact O-N 2.86Å; I47-L51 WeakPolarHBondContact O-CB 3.27Å; I47-L51 PolarHBondContact O-N 2.98Å; I47-F106 HydrophobicContact CG2-CB 3.85Å; I47-F106 HydrophobicContact CG2-CD2 4.13Å; I47-F106 HydrophobicContact CG2-CG 4.14Å; I47-L113 HydrophobicContact CG2-CD1 4.21Å
48	L	89.3	Confident	87.8	Confident	46 Å²	46	80.6 Å²	80.6	24%	0.241	43%	0.434	C	S	.	.	H	α-helix	trans	-66.2	-42	-178.4	-70.3	168.6	0	0	0	113.2	F44 T45 L51 L113 L115 M119	F44-L48 VanDerWaalsContact O-CG 3.32Å; F44-L48 WeakPolarHBondContact O-CG 3.37Å; F44-L48 PolarHBondContact O-N 3.08Å; T45-L48 PolarHBondContact O-N 3.02Å; T45-L48 VanDerWaalsContact O-N 3.1Å; L48-L51 WeakPolarHBondContact O-CB 3.31Å; L48-L51 PolarHBondContact O-N 2.98Å; L48-L113 HydrophobicContact CD2-CD1 4.35Å; L48-L115 HydrophobicContact CD2-CD2 3.53Å; L48-M119 HydrophobicContact CD2-CE 4.25Å
49	D	89.1	Confident	89.5	Confident	111 Å²	111	78.3 Å²	78.3	59%	0.594	43%	0.427	S	S	*	.	H	α-helix	trans	-68.7	-43.6	177.5	-67.1	-29.7	0	0	0	110.7	T45 L51 L52 D53	T45-D49 PolarHBondContact O-N 3.26Å; D49-L51 PolarHBondContact O-N 3.36Å; D49-L52 PolarHBondContact O-N 3.45Å; D49-D53 PolarHBondContact O-N 3.47Å
50	S	91.1	Very high	90.8	Very high	86 Å²	86	73.7 Å²	73.7	60%	0.601	40%	0.401	S	S	*	.	H	α-helix	trans	-64.3	-23	174.5	-175.6	0	0	0	0	113.6	K46 L52	K46-S50 WeakPolarHBondContact O-CB 3.24Å; K46-S50 PolarHBondContact O-N 2.92Å; S50-L52 VanDerWaalsContact C-N 3.27Å; S50-L52 PolarHBondContact O-N 3.12Å
51	L	91.9	Very high	91.6	Very high	11 Å²	11	70.1 Å²	70.1	6%	0.058	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-21	179	-143.3	77.9	0	0	0	113.2	I47 L48 D49 L104 F106 I150	I47-L51 WeakPolarHBondContact O-CB 3.27Å; I47-L51 PolarHBondContact O-N 2.98Å; L48-L51 WeakPolarHBondContact O-CB 3.31Å; L48-L51 PolarHBondContact O-N 2.98Å; D49-L51 PolarHBondContact O-N 3.36Å; L51-L104 HydrophobicContact CD2-CB 4.36Å; L51-L104 HydrophobicContact CD2-CD2 3.92Å; L51-L104 HydrophobicContact CG-CD2 3.88Å; L51-F106 HydrophobicContact CD1-CB 3.76Å; L51-F106 HydrophobicContact CD1-CD1 4.39Å; L51-F106 HydrophobicContact CD1-CG 4.46Å; L51-I150 HydrophobicContact CD2-CD1 3.83Å
52	L	92.4	Very high	92.1	Very high	38 Å²	38	67 Å²	67	20%	0.199	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-6.7	-179.3	-67.2	-179.9	0	0	0	113.2	D49 S50 G54 Y55 M119 K122 I123	D49-L52 PolarHBondContact O-N 3.45Å; S50-L52 VanDerWaalsContact C-N 3.27Å; S50-L52 PolarHBondContact O-N 3.12Å; L52-G54 PolarHBondContact O-N 3.36Å; L52-Y55 HydrophobicContact CD2-CD1 4.39Å; L52-Y55 HydrophobicContact CD2-CG 4.49Å; L52-Y55 WeakPolarHBondContact O-CB 3.45Å; L52-Y55 PolarHBondContact O-N 3.07Å; L52-Y55 VanDerWaalsContact O-N 3.08Å; L52-M119 HydrophobicContact CD1-CE 3.56Å; L52-M119 HydrophobicContact CD1-SD 3.71Å; L52-M119 HydrophobicContact CD2-CE 3.96Å; L52-M119 HydrophobicContact CG-CE 3.57Å; L52-M119 HydrophobicContact CG-SD 4.37Å; L52-K122 HydrophobicContact CD1-CB 4.2Å; L52-K122 HydrophobicContact CD1-CD 3.56Å; L52-K122 HydrophobicContact CD2-CB 4.31Å; L52-I123 HydrophobicContact CD2-CG1 4.29Å
53	D	93.8	Very high	92.4	Very high	145 Å²	145	68.3 Å²	68.3	78%	0.775	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	127.1	176	-164.5	10.2	0	0	0	109.9	D49 Y55	D49-D53 PolarHBondContact O-N 3.47Å; D53-Y55 PolarHBondContact O-N 2.98Å
54	G	92.3	Very high	92.6	Very high	80 Å²	80	69.1 Å²	69.1	83%	0.825	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	6.2	-170.9	0	0	0	0	0	116.7	L52 D56	L52-G54 PolarHBondContact O-N 3.36Å; G54-D56 PolarHBondContact O-N 3.22Å
55	Y	95.9	Very high	92.9	Very high	31 Å²	31	73 Å²	73	12%	0.122	41%	0.41	C	S	.	.			trans	-82.3	114.3	-177.8	-170.9	-87.4	0	0	0	112.8	L52 D53 N57 D101 R103 L104 I123 W124	L52-Y55 HydrophobicContact CD2-CD1 4.39Å; L52-Y55 HydrophobicContact CD2-CG 4.49Å; L52-Y55 WeakPolarHBondContact O-CB 3.45Å; L52-Y55 PolarHBondContact O-N 3.07Å; L52-Y55 VanDerWaalsContact O-N 3.08Å; D53-Y55 PolarHBondContact O-N 2.98Å; Y55-N57 HydrophobicContact CD1-CB 4.31Å; Y55-N57 HydrophobicContact CE1-CB 3.89Å; Y55-D101 WeakPolarHBondContact CE2-OD2 3.41Å; Y55-D101 PolarHBondContact OH-OD2 3.32Å; Y55-R103 HydrophobicContact CD2-CB 3.97Å; Y55-R103 HydrophobicContact CE2-CB 3.99Å; Y55-R103 PolarHBondContact OH-NH2 3.38Å; Y55-R103 VanDerWaalsContact OH-NH2 3.15Å; Y55-L104 HydrophobicContact CD2-CD2 3.7Å; Y55-L104 HydrophobicContact CD2-CG 4.16Å; Y55-L104 HydrophobicContact CE2-CD1 3.91Å; Y55-L104 HydrophobicContact CE2-CD2 3.66Å; Y55-L104 HydrophobicContact CE2-CG 3.67Å; Y55-L104 HydrophobicContact CG-CD2 4.42Å; Y55-I123 HydrophobicContact CE1-CG1 4.47Å; Y55-W124 PolarHBondContact OH-N 3.31Å; Y55-W124 VanDerWaalsContact OH-N 3.14Å
56	D	94.8	Very high	93.2	Very high	41 Å²	41	74.7 Å²	74.7	22%	0.219	41%	0.409	C	S	.	.			trans	-95.6	114.3	169.9	-164.1	-22.5	0	0	0	111.6	G54 R58 L59 R103	G54-D56 PolarHBondContact O-N 3.22Å; D56-R58 VanDerWaalsContact C-N 3.31Å; D56-R58 VanDerWaalsContact OD1-CB 3.23Å; D56-R58 WeakPolarHBondContact OD1-CB 3Å; D56-R58 WeakPolarHBondContact OD1-CG 3.44Å; D56-R58 IonicContact OD1-CZ 2.73Å; D56-R58 PolarHBondContact OD1-N 2.97Å; D56-R58 IonicContact OD1-NE 3.95Å; D56-R58 PolarHBondContact OD1-NE 3.35Å; D56-R58 IonicContact OD1-NH2 3.32Å; D56-R58 IonicContact OD2-CZ 3.07Å; D56-R58 IonicContact OD2-NE 2.82Å; D56-R58 PolarHBondContact OD2-NE 3.24Å; D56-R58 IonicContact OD2-NH2 3.77Å; D56-R58 PolarHBondContact OD2-NH2 2.98Å; D56-L59 HydrophobicContact CB-CD1 4.17Å; D56-L59 HydrophobicContact CB-CG 4.22Å; D56-R103 PolarHBondContact O-NH1 3.14Å
57	N	94.4	Very high	93.5	Very high	69 Å²	69	71 Å²	71	37%	0.369	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.8	179.6	71.2	-14.4	0	0	0	114.3	Y55 L59 K122 W124	Y55-N57 HydrophobicContact CD1-CB 4.31Å; Y55-N57 HydrophobicContact CE1-CB 3.89Å; N57-L59 VanDerWaalsContact C-N 3.33Å; N57-K122 WeakPolarHBondContact CB-O 3.16Å; N57-W124 WeakPolarHBondContact O-CB 3.48Å
58	R	94.2	Very high	93.8	Very high	188 Å²	188	70.1 Å²	70.1	71%	0.709	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-20	175.5	-55	170.8	-65.5	177.1	3.7	111.9	D56	D56-R58 VanDerWaalsContact C-N 3.31Å; D56-R58 VanDerWaalsContact OD1-CB 3.23Å; D56-R58 WeakPolarHBondContact OD1-CB 3Å; D56-R58 WeakPolarHBondContact OD1-CG 3.44Å; D56-R58 IonicContact OD1-CZ 2.73Å; D56-R58 PolarHBondContact OD1-N 2.97Å; D56-R58 IonicContact OD1-NE 3.95Å; D56-R58 PolarHBondContact OD1-NE 3.35Å; D56-R58 IonicContact OD1-NH2 3.32Å; D56-R58 IonicContact OD2-CZ 3.07Å; D56-R58 IonicContact OD2-NE 2.82Å; D56-R58 PolarHBondContact OD2-NE 3.24Å; D56-R58 IonicContact OD2-NH2 3.77Å; D56-R58 PolarHBondContact OD2-NH2 2.98Å
59	L	95.6	Very high	94.2	Very high	76 Å²	76	72.2 Å²	72.2	40%	0.398	40%	0.403	S	S	.	.	S	Bend	trans	-102	129.2	-176	-53.6	-178.4	0	0	0	111	D56 N57 L63 R103	D56-L59 HydrophobicContact CB-CD1 4.17Å; D56-L59 HydrophobicContact CB-CG 4.22Å; N57-L59 VanDerWaalsContact C-N 3.33Å; L59-L63 HydrophobicContact CB-CD2 4.39Å; L59-L63 HydrophobicContact CD2-CD2 3.9Å; L59-R103 PolarHBondContact O-NH1 2.97Å; L59-R103 PolarHBondContact O-NH2 3.45Å; L59-R103 VanDerWaalsContact O-NH2 3.12Å
60	R	96.1	Very high	94.6	Very high	19 Å²	19	66.9 Å²	66.9	7%	0.072	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-66.8	149	175.6	72.9	175.5	-175.1	78.3	0.8	111.3	G62 L63 R66 T68 W124 Y191 E195	R60-G62 PolarHBondContact O-N 3.03Å; R60-L63 HydrophobicContact CG-CB 4.16Å; R60-L63 HydrophobicContact CG-CD1 4.32Å; R60-L63 PolarHBondContact O-N 2.74Å; R60-R66 PolarHBondContact NH1-O 2.9Å; R60-R66 PolarHBondContact NH2-O 2.97Å; R60-T68 PolarHBondContact NH1-OG1 3.41Å; R60-W124 HydrophobicContact CB-CD2 4.4Å; R60-W124 HydrophobicContact CB-CH2 4.44Å; R60-W124 HydrophobicContact CB-CZ2 3.7Å; R60-Y191 HydrophobicContact CB-CE1 4.28Å; R60-Y191 HydrophobicContact CG-CE1 4.41Å; R60-E195 PolarHBondContact NH1-O 3.08Å
61	P	96.4	Very high	94.9	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.019	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	127.5	175.8	-17.1	28.9	0	0	0	111.4	T68 D101 W124	P61-T68 HydrophobicContact CG-CG2 4.44Å; P61-T68 PolarHBondContact O-OG1 2.82Å; P61-D101 HydrophobicContact CB-CB 4.05Å; P61-D101 HydrophobicContact CG-CB 3.83Å; P61-W124 HydrophobicContact CG-CD2 4.49Å; P61-W124 HydrophobicContact CG-CE3 3.88Å; P61-W124 HydrophobicContact CG-CZ3 4.16Å
62	G	93.1	Very high	95.2	Very high	17 Å²	17	66.8 Å²	66.8	18%	0.175	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	25.2	-179	0	0	0	0	0	114.7	R60 G64 E65 R66	R60-G62 PolarHBondContact O-N 3.03Å; G62-G64 PolarHBondContact O-N 3.13Å; G62-E65 PolarHBondContact O-N 3.45Å; G62-R66 PolarHBondContact O-N 3.28Å; G62-R66 VanDerWaalsContact O-O 3.09Å
63	L	94.1	Very high	95.3	Very high	95 Å²	95	65.5 Å²	65.5	50%	0.497	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	122.2	170.9	-178.9	65	0	0	0	110.4	L59 R60 E65	L59-L63 HydrophobicContact CB-CD2 4.39Å; L59-L63 HydrophobicContact CD2-CD2 3.9Å; R60-L63 HydrophobicContact CG-CB 4.16Å; R60-L63 HydrophobicContact CG-CD1 4.32Å; R60-L63 PolarHBondContact O-N 2.74Å; L63-E65 VanDerWaalsContact C-N 3.28Å; L63-E65 PolarHBondContact O-N 3.4Å
64	G	91.8	Very high	95.4	Very high	80 Å²	80	58.7 Å²	58.7	83%	0.825	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-7.9	-175.4	0	0	0	0	0	115.4	G62	G62-G64 PolarHBondContact O-N 3.13Å
65	E	93.9	Very high	95.6	Very high	159 Å²	159	57.8 Å²	57.8	74%	0.743	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-53.5	-177.4	-62	177	171.9	0	0	112.9	G62 L63	G62-E65 PolarHBondContact O-N 3.45Å; L63-E65 VanDerWaalsContact C-N 3.28Å; L63-E65 PolarHBondContact O-N 3.4Å
66	R	95.3	Very high	95.7	Very high	105 Å²	105	56.3 Å²	56.3	40%	0.396	29%	0.287	S	S	.	.			trans	-152.4	164.7	-168.6	66.5	-172.8	-169.5	-165.8	5.2	112.6	R60 G62 E102	R60-R66 PolarHBondContact NH1-O 2.9Å; R60-R66 PolarHBondContact NH2-O 2.97Å; G62-R66 PolarHBondContact O-N 3.28Å; G62-R66 VanDerWaalsContact O-O 3.09Å; R66-E102 IonicContact CZ-OE1 2.94Å; R66-E102 IonicContact NH1-OE1 2.68Å; R66-E102 PolarHBondContact NH1-OE1 2.79Å; R66-E102 VanDerWaalsContact NH1-OE1 3.08Å; R66-E102 IonicContact NH2-OE1 3.82Å; R66-E102 PolarHBondContact NH2-OE1 2.8Å
67	V	97.1	Very high	95.7	Very high	68 Å²	68	56 Å²	56	41%	0.412	29%	0.287	S	S	.	.			trans	-73.3	136.6	170	-170.1	0	0	0	0	109.1	E69 V197	V67-E69 PolarHBondContact O-N 3.37Å; V67-V197 HydrophobicContact CG1-CB 4.13Å; V67-V197 HydrophobicContact CG1-CG2 3.65Å
68	T	97.7	Very high	95.7	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	105.3	175.5	-46.7	0	0	0	0	109.3	R60 P61 W124 E195 V196 V197	R60-T68 PolarHBondContact NH1-OG1 3.41Å; P61-T68 HydrophobicContact CG-CG2 4.44Å; P61-T68 PolarHBondContact O-OG1 2.82Å; T68-W124 HydrophobicContact CG2-CH2 4.03Å; T68-W124 HydrophobicContact CG2-CZ3 4.13Å; T68-E195 PolarHBondContact N-O 3.19Å; T68-V196 WeakPolarHBondContact O-CA 3.25Å; T68-V197 PolarHBondContact O-N 3.15Å; T68-V197 VanDerWaalsContact O-N 3.13Å
69	E	97.5	Very high	95.8	Very high	89 Å²	89	44 Å²	44	42%	0.416	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.5	174.8	-166.5	-166.7	158.8	0	0	110.7	V67 K71 W99 V199	V67-E69 PolarHBondContact O-N 3.37Å; E69-K71 WeakPolarHBondContact OE1-CE 3.48Å; E69-K71 IonicContact OE1-NZ 3.89Å; E69-W99 WeakPolarHBondContact O-CB 3.45Å; E69-V199 HydrophobicContact CG-CG2 3.82Å
70	V	98.1	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.8	177.9	-177.6	0	0	0	0	109.3	T72 Q97 W99 P126 V196 V197 Y198 V199	V70-T72 HydrophobicContact CG1-CG2 4.29Å; V70-Q97 HydrophobicContact CG1-CB 4.21Å; V70-W99 HydrophobicContact CG2-CB 4.23Å; V70-P126 HydrophobicContact CG1-CG 4.06Å; V70-P126 HydrophobicContact CG2-CB 4.19Å; V70-P126 HydrophobicContact CG2-CG 4.34Å; V70-V196 HydrophobicContact CG2-CG1 3.88Å; V70-V197 PolarHBondContact N-O 2.85Å; V70-Y198 HydrophobicContact CB-CD1 4.02Å; V70-Y198 HydrophobicContact CB-CE1 4.11Å; V70-Y198 HydrophobicContact CG1-CD1 3.98Å; V70-Y198 HydrophobicContact CG1-CE1 3.85Å; V70-Y198 WeakPolarHBondContact O-CA 3.35Å; V70-V199 PolarHBondContact O-N 2.9Å
71	K	97.5	Very high	95.5	Very high	95 Å²	95	43.7 Å²	43.7	41%	0.413	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.6	177.6	-59.6	-175.6	174.9	178.7	0	110.4	E69 Q97 S98 V199 T201	E69-K71 WeakPolarHBondContact OE1-CE 3.48Å; E69-K71 IonicContact OE1-NZ 3.89Å; K71-Q97 CarbonylContact O-C 3.5Å; K71-Q97 WeakPolarHBondContact O-CA 3.23Å; K71-S98 PolarHBondContact N-O 3.26Å; K71-S98 PolarHBondContact O-N 2.98Å; K71-V199 CarbonylContact C-O 3.56Å; K71-V199 VanDerWaalsContact CA-O 3.24Å; K71-V199 WeakPolarHBondContact CA-O 3.46Å; K71-T201 HydrophobicContact CB-CG2 3.65Å
72	T	97	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	151.6	-176.8	52.2	0	0	0	0	113.7	V70 F95 R96 Q97 F186 Y198 V199 T201	V70-T72 HydrophobicContact CG1-CG2 4.29Å; T72-F95 HydrophobicContact CG2-CZ 4.34Å; T72-R96 WeakPolarHBondContact CA-O 3.36Å; T72-Q97 HydrophobicContact CG2-CG 4.32Å; T72-F186 HydrophobicContact CG2-CE2 4.03Å; T72-Y198 HydrophobicContact CG2-CD1 3.8Å; T72-Y198 HydrophobicContact CG2-CE1 4.38Å; T72-V199 PolarHBondContact N-O 2.89Å; T72-V199 PolarHBondContact OG1-O 2.56Å; T72-T201 WeakPolarHBondContact O-CG2 3.22Å; T72-T201 PolarHBondContact O-N 3.17Å; T72-T201 PolarHBondContact O-OG1 3.06Å
73	D	95	Very high	95.6	Very high	10 Å²	10	45 Å²	45	5%	0.053	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.1	177	-176.5	59.9	0	0	0	108.4	R96 T201 R202	D73-R96 HydrophobicContact CB-CB 4.04Å; D73-R96 PolarHBondContact N-O 3.35Å; D73-R96 WeakPolarHBondContact O-CB 3.41Å; D73-R96 PolarHBondContact O-N 2.75Å; D73-R96 VanDerWaalsContact OD2-CD 3.26Å; D73-R96 WeakPolarHBondContact OD2-CD 3.37Å; D73-R96 IonicContact OD2-CZ 3.71Å; D73-R96 IonicContact OD2-NE 2.87Å; D73-R96 IonicContact OD2-NH1 2.78Å; D73-R96 PolarHBondContact OD2-NH1 2.78Å; D73-T201 HydrophobicContact CB-CG2 4.22Å; D73-T201 WeakPolarHBondContact CB-OG1 3.31Å; D73-R202 VanDerWaalsContact CG-NH2 3.32Å; D73-R202 IonicContact OD1-CZ 2.64Å; D73-R202 IonicContact OD1-NE 3.39Å; D73-R202 IonicContact OD1-NH2 3.56Å; D73-R202 PolarHBondContact OD1-NH2 2.85Å; D73-R202 IonicContact OD2-NH2 2.76Å; D73-R202 PolarHBondContact OD2-NH2 3.38Å
74	I	96.4	Very high	95.5	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.2	179.2	-56.3	-173.5	0	0	0	108.5	V76 V93 F95 L184 F186 W200 S207 V208 V209	I74-V76 HydrophobicContact CG2-CG2 4.02Å; I74-V93 HydrophobicContact CG2-CB 4.08Å; I74-V93 HydrophobicContact CG2-CG1 3.89Å; I74-F95 HydrophobicContact CD1-CD2 4.1Å; I74-F95 HydrophobicContact CD1-CE2 4.03Å; I74-F95 HydrophobicContact CG1-CD2 3.9Å; I74-F95 HydrophobicContact CG1-CE2 4.08Å; I74-L184 HydrophobicContact CD1-CD2 4.4Å; I74-F186 HydrophobicContact CD1-CD1 4.35Å; I74-F186 HydrophobicContact CD1-CE1 3.6Å; I74-F186 HydrophobicContact CD1-CZ 4.12Å; I74-W200 HydrophobicContact CD1-CH2 4.28Å; I74-W200 HydrophobicContact CD1-CZ3 4.38Å; I74-W200 HydrophobicContact CG1-CZ3 4.29Å; I74-S207 PolarHBondContact N-O 3.33Å; I74-V208 HydrophobicContact CB-CG2 4.35Å; I74-V208 WeakPolarHBondContact O-CA 3.43Å; I74-V209 PolarHBondContact O-N 2.91Å
75	F	96.1	Very high	95.5	Very high	62 Å²	62	44 Å²	44	27%	0.272	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.3	165.7	-175.2	-88.3	0	0	0	109	T77 V93 F94 V209 A211	F75-T77 HydrophobicContact CD1-CG2 3.92Å; F75-T77 HydrophobicContact CE1-CG2 4.04Å; F75-T77 PolarHBondContact O-N 3.14Å; F75-V93 CarbonylContact O-C 3.46Å; F75-V93 WeakPolarHBondContact O-CA 3.38Å; F75-F94 HydrophobicContact CB-CB 4.36Å; F75-F94 AromaticContact CD1-CD2 3.97Å; F75-F94 HydrophobicContact CD1-CD2 3.97Å; F75-F94 PolarHBondContact N-O 3.18Å; F75-F94 VanDerWaalsContact N-O 3.09Å; F75-F94 PolarHBondContact O-N 2.87Å; F75-V209 CarbonylContact C-O 3.59Å; F75-V209 WeakPolarHBondContact CA-O 3.46Å; F75-V209 HydrophobicContact CD2-CB 4.13Å; F75-V209 HydrophobicContact CD2-CG1 4.12Å; F75-V209 HydrophobicContact CE2-CG1 4.08Å; F75-A211 HydrophobicContact CE1-CB 4.16Å; F75-A211 HydrophobicContact CZ-CB 3.89Å
76	V	96.9	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	109.9	176.8	-177.3	0	0	0	0	108.4	I74 I79 I91 V93 V208 V209 V210 A211 F246	I74-V76 HydrophobicContact CG2-CG2 4.02Å; V76-I79 HydrophobicContact CG1-CG1 3.8Å; V76-I91 HydrophobicContact CB-CD1 4.44Å; V76-I91 HydrophobicContact CG1-CD1 3.73Å; V76-I91 HydrophobicContact CG1-CG1 3.66Å; V76-I91 HydrophobicContact CG2-CD1 3.83Å; V76-V93 HydrophobicContact CG2-CG1 4.11Å; V76-V208 HydrophobicContact CG2-CG1 4.45Å; V76-V209 PolarHBondContact N-O 3.15Å; V76-V210 HydrophobicContact CB-CB 4.37Å; V76-V210 HydrophobicContact CB-CG1 4.24Å; V76-V210 HydrophobicContact CB-CG2 4.12Å; V76-V210 HydrophobicContact CG1-CG1 4.24Å; V76-V210 HydrophobicContact CG2-CG2 4.22Å; V76-A211 PolarHBondContact O-N 2.99Å; V76-F246 HydrophobicContact CG2-CE1 4.17Å; V76-F246 HydrophobicContact CG2-CZ 4.03Å
77	T	95.6	Very high	95.5	Very high	34 Å²	34	37.7 Å²	37.7	21%	0.209	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-35.9	177.3	57.2	0	0	0	0	111.4	F75 D92 F94 G214	F75-T77 HydrophobicContact CD1-CG2 3.92Å; F75-T77 HydrophobicContact CE1-CG2 4.04Å; F75-T77 PolarHBondContact O-N 3.14Å; T77-D92 PolarHBondContact N-O 3.15Å; T77-D92 VanDerWaalsContact OG1-CB 3.24Å; T77-D92 WeakPolarHBondContact OG1-CB 3.18Å; T77-D92 PolarHBondContact OG1-O 3.47Å; T77-D92 VanDerWaalsContact OG1-O 3.12Å; T77-F94 HydrophobicContact CG2-CD2 3.43Å; T77-F94 VanDerWaalsContact CG2-CD2 3.43Å; T77-F94 HydrophobicContact CG2-CE2 3.37Å; T77-F94 HydrophobicContact CG2-CG 4.35Å; T77-F94 HydrophobicContact CG2-CZ 4.26Å; T77-G214 WeakPolarHBondContact O-CA 3.31Å
78	S	94.9	Very high	95.4	Very high	2 Å²	2	35 Å²	35	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	139	168.9	48.7	0	0	0	0	112.7	D92 G214 R216	S78-D92 PolarHBondContact N-O 3.03Å; S78-D92 PolarHBondContact O-N 2.92Å; S78-D92 PolarHBondContact OG-OD2 3.1Å; S78-D92 VanDerWaalsContact OG-OD2 3.05Å; S78-G214 CarbonylContact C-O 3.57Å; S78-G214 WeakPolarHBondContact CA-O 3.26Å; S78-G214 WeakPolarHBondContact CB-O 3.19Å; S78-R216 PolarHBondContact OG-NH1 2.85Å
79	I	94.9	Very high	95.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	119	162.3	-53.7	-172.7	0	0	0	107.1	V76 I91 G214 R216 L217 L222 F246	V76-I79 HydrophobicContact CG1-CG1 3.8Å; I79-I91 HydrophobicContact CG1-CD1 4.37Å; I79-I91 HydrophobicContact CG1-CG1 4.35Å; I79-G214 PolarHBondContact N-O 3.36Å; I79-R216 WeakPolarHBondContact O-CB 3.34Å; I79-R216 PolarHBondContact O-N 2.74Å; I79-R216 VanDerWaalsContact O-N 3.08Å; I79-L217 HydrophobicContact CG2-CD1 4.28Å; I79-L217 HydrophobicContact CG2-CD2 4.11Å; I79-L217 HydrophobicContact CG2-CG 4.33Å; I79-L222 HydrophobicContact CD1-CD1 3.77Å; I79-L222 HydrophobicContact CD1-CD2 3.72Å; I79-L222 HydrophobicContact CD1-CG 4.28Å; I79-F246 HydrophobicContact CD1-CD1 3.78Å; I79-F246 HydrophobicContact CD1-CE1 4.23Å; I79-F246 HydrophobicContact CD1-CG 4.26Å
80	G	92.6	Very high	95.4	Very high	3 Å²	3	32 Å²	32	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-167.6	179.1	0	0	0	0	0	112.7	T90 L217	G80-T90 WeakPolarHBondContact CA-O 3.39Å; G80-T90 PolarHBondContact N-O 3.36Å; G80-L217 VanDerWaalsContact O-CD2 3.24Å; G80-L217 WeakPolarHBondContact O-CD2 3.45Å
81	P	94.6	Very high	95.3	Very high	87 Å²	87	32 Å²	32	57%	0.565	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	151.6	-179.9	28.2	-35.2	0	0	0	112.3	T90	P81-T90 PolarHBondContact O-N 2.86Å; P81-T90 VanDerWaalsContact O-N 3.08Å
82	V	95.7	Very high	95.3	Very high	16 Å²	16	28.2 Å²	28.2	10%	0.097	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131	171.1	179.7	0	0	0	0	107.5	M170 L217 Y220 L248	V82-M170 HydrophobicContact CG1-CE 3.42Å; V82-M170 VanDerWaalsContact CG1-CE 3.42Å; V82-L217 HydrophobicContact CG2-CD2 3.73Å; V82-Y220 HydrophobicContact CB-CD2 3.95Å; V82-Y220 HydrophobicContact CB-CE2 3.78Å; V82-Y220 HydrophobicContact CG1-CD2 4.29Å; V82-Y220 HydrophobicContact CG1-CE2 3.66Å; V82-Y220 HydrophobicContact CG2-CD2 4.06Å; V82-Y220 HydrophobicContact CG2-CE2 4.27Å; V82-L248 HydrophobicContact CG2-CD1 3.75Å
83	S	94.8	Very high	95.3	Very high	30 Å²	30	28.2 Å²	28.2	21%	0.21	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.5	172.2	-176.9	0	0	0	0	109	H85 D86 M87 E88	S83-H85 PolarHBondContact O-N 2.97Å; S83-D86 PolarHBondContact O-N 3.25Å; S83-D86 PolarHBondContact OG-N 3.48Å; S83-D86 PolarHBondContact OG-OD2 2.69Å; S83-M87 WeakPolarHBondContact O-CA 3.39Å; S83-M87 PolarHBondContact O-N 3.17Å; S83-E88 PolarHBondContact N-O 2.75Å; S83-E88 PolarHBondContact O-N 3.47Å
84	D	92.9	Very high	95.4	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.091	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-31	172.9	-62.1	-17.9	0	0	0	111.5	Y220 R250 P307	D84-Y220 PolarHBondContact OD1-OH 2.85Å; D84-R250 IonicContact OD1-NH1 3.7Å; D84-R250 IonicContact OD1-NH2 3.51Å; D84-R250 IonicContact OD2-CZ 2.8Å; D84-R250 VanDerWaalsContact OD2-CZ 3.32Å; D84-R250 IonicContact OD2-NH1 2.69Å; D84-R250 PolarHBondContact OD2-NH1 2.79Å; D84-R250 IonicContact OD2-NH2 3.28Å; D84-R250 PolarHBondContact OD2-NH2 2.82Å; D84-R250 VanDerWaalsContact OD2-NH2 3.16Å; D84-P307 WeakPolarHBondContact O-CG 3.32Å
85	H	91.8	Very high	95.4	Very high	137 Å²	137	31.4 Å²	31.4	63%	0.634	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-42.9	179.4	-175.5	-85	0	0	0	111.9	S83	S83-H85 PolarHBondContact O-N 2.97Å
86	D	93.5	Very high	95.5	Very high	74 Å²	74	32.3 Å²	32.3	40%	0.396	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	2.2	-173.4	-49.6	-48.7	0	0	0	112.8	S83 E88 K134	S83-D86 PolarHBondContact O-N 3.25Å; S83-D86 PolarHBondContact OG-N 3.48Å; S83-D86 PolarHBondContact OG-OD2 2.69Å; D86-E88 HydrophobicContact CB-CG 3.75Å; D86-E88 PolarHBondContact O-N 3.27Å; D86-K134 PolarHBondContact O-NZ 2.86Å
87	M	94.7	Very high	95.5	Very high	58 Å²	58	32.3 Å²	32.3	29%	0.286	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	54.1	-175.9	-66.4	-175.2	176.2	0	0	112.5	S83 E167 C168	S83-M87 WeakPolarHBondContact O-CA 3.39Å; S83-M87 PolarHBondContact O-N 3.17Å; M87-E167 WeakPolarHBondContact O-CG 3.34Å; M87-C168 CarbonylContact C-O 3.46Å; M87-C168 PolarHBondContact O-N 2.76Å
88	E	96.1	Very high	95.6	Very high	13 Å²	13	32 Å²	32	6%	0.061	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.9	-179.6	54.5	156.8	-106.4	0	0	112.6	S83 D86 K134 R165 A166	S83-E88 PolarHBondContact N-O 2.75Å; S83-E88 PolarHBondContact O-N 3.47Å; D86-E88 HydrophobicContact CB-CG 3.75Å; D86-E88 PolarHBondContact O-N 3.27Å; E88-K134 HydrophobicContact CB-CD 4.39Å; E88-R165 IonicContact OE1-CZ 3.04Å; E88-R165 IonicContact OE1-NE 3.9Å; E88-R165 PolarHBondContact OE1-NE 3.45Å; E88-R165 IonicContact OE1-NH2 3.55Å; E88-R165 PolarHBondContact OE1-NH2 2.99Å; E88-R165 IonicContact OE2-CZ 2.87Å; E88-R165 IonicContact OE2-NE 3.8Å; E88-R165 PolarHBondContact OE2-NE 3.32Å; E88-R165 IonicContact OE2-NH2 2.81Å; E88-R165 PolarHBondContact OE2-NH2 3.12Å; E88-A166 CarbonylContact C-O 3.19Å; E88-A166 VanDerWaalsContact CA-O 3.22Å; E88-A166 WeakPolarHBondContact CA-O 3.49Å; E88-A166 VanDerWaalsContact CB-O 3.26Å; E88-A166 WeakPolarHBondContact CB-O 3.38Å
89	Y	96.7	Very high	95.8	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.4	174.2	70.5	-72.5	0	0	0	110.4	I91 R165 A166 C168 C182 P183 L184 F246	Y89-I91 HydrophobicContact CD2-CB 4.4Å; Y89-I91 HydrophobicContact CE2-CB 4.15Å; Y89-I91 HydrophobicContact CE2-CG2 4.19Å; Y89-R165 WeakPolarHBondContact O-CA 2.81Å; Y89-A166 HydrophobicContact CD1-CB 4.22Å; Y89-A166 VanDerWaalsContact CD1-O 3.28Å; Y89-A166 WeakPolarHBondContact CD1-O 3.39Å; Y89-A166 HydrophobicContact CE1-CB 3.56Å; Y89-A166 PolarHBondContact N-O 2.91Å; Y89-A166 PolarHBondContact O-N 2.89Å; Y89-C168 HydrophobicContact CD1-CB 3.74Å; Y89-C168 HydrophobicContact CE1-CB 4.14Å; Y89-C182 HydrophobicContact CD1-CB 3.93Å; Y89-C182 HydrophobicContact CE1-CB 3.74Å; Y89-P183 VanDerWaalsContact OH-C 3.24Å; Y89-P183 PolarHBondContact OH-O 3.26Å; Y89-L184 WeakPolarHBondContact OH-CB 3.44Å; Y89-F246 HydrophobicContact CE2-CD2 4.17Å
90	T	96.8	Very high	95.9	Very high	29 Å²	29	35.8 Å²	35.8	18%	0.178	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.2	175.4	-53.7	0	0	0	0	110.2	G80 P81 T163 V164 R165	G80-T90 WeakPolarHBondContact CA-O 3.39Å; G80-T90 PolarHBondContact N-O 3.36Å; P81-T90 PolarHBondContact O-N 2.86Å; P81-T90 VanDerWaalsContact O-N 3.08Å; T90-T163 HydrophobicContact CG2-CG2 3.5Å; T90-T163 VanDerWaalsContact CG2-CG2 3.5Å; T90-V164 CarbonylContact C-O 3.43Å; T90-V164 WeakPolarHBondContact CA-O 3.09Å; T90-R165 HydrophobicContact CG2-CG 4.34Å
91	I	97.1	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.3	174.8	-167.4	174.3	0	0	0	111.2	V76 I79 Y89 V93 T163 V164 F246	V76-I91 HydrophobicContact CB-CD1 4.44Å; V76-I91 HydrophobicContact CG1-CD1 3.73Å; V76-I91 HydrophobicContact CG1-CG1 3.66Å; V76-I91 HydrophobicContact CG2-CD1 3.83Å; I79-I91 HydrophobicContact CG1-CD1 4.37Å; I79-I91 HydrophobicContact CG1-CG1 4.35Å; Y89-I91 HydrophobicContact CD2-CB 4.4Å; Y89-I91 HydrophobicContact CE2-CB 4.15Å; Y89-I91 HydrophobicContact CE2-CG2 4.19Å; I91-V93 HydrophobicContact CD1-CG1 4.02Å; I91-V93 HydrophobicContact CG1-CG1 3.84Å; I91-V93 HydrophobicContact CG2-CG1 4.44Å; I91-T163 CarbonylContact O-C 3.53Å; I91-T163 WeakPolarHBondContact O-CA 3.47Å; I91-V164 HydrophobicContact CG2-CB 3.92Å; I91-V164 PolarHBondContact N-O 3.12Å; I91-V164 PolarHBondContact O-N 3.27Å; I91-F246 HydrophobicContact CD1-CD2 4.36Å; I91-F246 HydrophobicContact CD1-CE1 4.19Å; I91-F246 HydrophobicContact CD1-CE2 3.57Å; I91-F246 HydrophobicContact CD1-CZ 3.47Å; I91-F246 VanDerWaalsContact CD1-CZ 3.47Å
92	D	96.9	Very high	96.1	Very high	15 Å²	15	34.3 Å²	34.3	8%	0.08	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.6	173.7	-66.6	-32.5	0	0	0	109.2	T77 S78 L162 T163 R216	T77-D92 PolarHBondContact N-O 3.15Å; T77-D92 VanDerWaalsContact OG1-CB 3.24Å; T77-D92 WeakPolarHBondContact OG1-CB 3.18Å; T77-D92 PolarHBondContact OG1-O 3.47Å; T77-D92 VanDerWaalsContact OG1-O 3.12Å; S78-D92 PolarHBondContact N-O 3.03Å; S78-D92 PolarHBondContact O-N 2.92Å; S78-D92 PolarHBondContact OG-OD2 3.1Å; S78-D92 VanDerWaalsContact OG-OD2 3.05Å; D92-L162 WeakPolarHBondContact CA-O 3.37Å; D92-T163 WeakPolarHBondContact OD1-CB 3.3Å; D92-T163 WeakPolarHBondContact OD1-CG2 3.44Å; D92-T163 PolarHBondContact OD1-OG1 2.84Å; D92-R216 IonicContact OD2-NH1 2.66Å; D92-R216 PolarHBondContact OD2-NH1 2.83Å; D92-R216 VanDerWaalsContact OD2-NH1 3.15Å
93	V	97.1	Very high	96.1	Very high	1 Å²	1	38 Å²	38	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.2	-175.5	-57.3	0	0	0	0	112.7	I74 F75 V76 I91 F95 R161 L162	I74-V93 HydrophobicContact CG2-CB 4.08Å; I74-V93 HydrophobicContact CG2-CG1 3.89Å; F75-V93 CarbonylContact O-C 3.46Å; F75-V93 WeakPolarHBondContact O-CA 3.38Å; V76-V93 HydrophobicContact CG2-CG1 4.11Å; I91-V93 HydrophobicContact CD1-CG1 4.02Å; I91-V93 HydrophobicContact CG1-CG1 3.84Å; I91-V93 HydrophobicContact CG2-CG1 4.44Å; V93-F95 HydrophobicContact CG2-CB 4.25Å; V93-R161 WeakPolarHBondContact O-CA 3.3Å; V93-L162 HydrophobicContact CG2-CB 3.99Å; V93-L162 PolarHBondContact N-O 3.15Å; V93-L162 PolarHBondContact O-N 3.33Å
94	F	97.3	Very high	96.1	Very high	74 Å²	74	36.5 Å²	36.5	33%	0.325	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	106	149.5	-67.3	-63.3	0	0	0	108	F75 T77 T159 M160 R161	F75-F94 HydrophobicContact CB-CB 4.36Å; F75-F94 AromaticContact CD1-CD2 3.97Å; F75-F94 HydrophobicContact CD1-CD2 3.97Å; F75-F94 PolarHBondContact N-O 3.18Å; F75-F94 VanDerWaalsContact N-O 3.09Å; F75-F94 PolarHBondContact O-N 2.87Å; T77-F94 HydrophobicContact CG2-CD2 3.43Å; T77-F94 VanDerWaalsContact CG2-CD2 3.43Å; T77-F94 HydrophobicContact CG2-CE2 3.37Å; T77-F94 HydrophobicContact CG2-CG 4.35Å; T77-F94 HydrophobicContact CG2-CZ 4.26Å; F94-T159 HydrophobicContact CB-CG2 4.47Å; F94-M160 WeakPolarHBondContact CA-O 3.14Å; F94-R161 HydrophobicContact CD1-CB 3.88Å; F94-R161 HydrophobicContact CD1-CG 4.12Å; F94-R161 HydrophobicContact CE1-CB 3.78Å; F94-R161 HydrophobicContact CE1-CG 3.86Å
95	F	97.6	Very high	96.2	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.1	174.8	-169.2	-111.1	0	0	0	108.7	T72 I74 V93 Q97 T128 F130 T159 M160 L162 F186	T72-F95 HydrophobicContact CG2-CZ 4.34Å; I74-F95 HydrophobicContact CD1-CD2 4.1Å; I74-F95 HydrophobicContact CD1-CE2 4.03Å; I74-F95 HydrophobicContact CG1-CD2 3.9Å; I74-F95 HydrophobicContact CG1-CE2 4.08Å; V93-F95 HydrophobicContact CG2-CB 4.25Å; F95-Q97 HydrophobicContact CD1-CG 3.96Å; F95-Q97 VanDerWaalsContact CE1-CD 3.46Å; F95-Q97 HydrophobicContact CE1-CG 3.61Å; F95-Q97 HydrophobicContact CZ-CG 4.34Å; F95-T128 HydrophobicContact CE1-CG2 3.9Å; F95-T128 HydrophobicContact CZ-CG2 3.81Å; F95-F130 HydrophobicContact CD2-CZ 4.47Å; F95-T159 WeakPolarHBondContact O-CA 3.31Å; F95-M160 HydrophobicContact CB-CG 3.98Å; F95-M160 HydrophobicContact CD1-CE 4.22Å; F95-M160 HydrophobicContact CD1-CG 4.36Å; F95-M160 HydrophobicContact CD1-SD 4.35Å; F95-M160 PolarHBondContact N-O 3.27Å; F95-M160 PolarHBondContact O-N 2.82Å; F95-L162 HydrophobicContact CB-CD1 4.09Å; F95-F186 HydrophobicContact CE2-CD1 4.36Å; F95-F186 HydrophobicContact CE2-CD2 4.03Å; F95-F186 HydrophobicContact CE2-CE1 4.22Å; F95-F186 AromaticContact CE2-CE2 3.87Å; F95-F186 HydrophobicContact CE2-CE2 3.87Å; F95-F186 HydrophobicContact CE2-CG 4.27Å; F95-F186 AromaticContact CE2-CZ 3.96Å; F95-F186 HydrophobicContact CE2-CZ 3.96Å; F95-F186 AromaticContact CZ-CD2 3.74Å; F95-F186 HydrophobicContact CZ-CD2 3.74Å; F95-F186 AromaticContact CZ-CE2 3.76Å; F95-F186 HydrophobicContact CZ-CE2 3.76Å; F95-F186 HydrophobicContact CZ-CG 4.29Å; F95-F186 HydrophobicContact CZ-CZ 4.32Å
96	R	97.1	Very high	96.3	Very high	81 Å²	81	34.9 Å²	34.9	31%	0.306	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.4	-175.4	-62.4	170.1	176.5	159.4	-0.2	110.4	T72 D73 Y158 T159	T72-R96 WeakPolarHBondContact CA-O 3.36Å; D73-R96 HydrophobicContact CB-CB 4.04Å; D73-R96 PolarHBondContact N-O 3.35Å; D73-R96 WeakPolarHBondContact O-CB 3.41Å; D73-R96 PolarHBondContact O-N 2.75Å; D73-R96 VanDerWaalsContact OD2-CD 3.26Å; D73-R96 WeakPolarHBondContact OD2-CD 3.37Å; D73-R96 IonicContact OD2-CZ 3.71Å; D73-R96 IonicContact OD2-NE 2.87Å; D73-R96 IonicContact OD2-NH1 2.78Å; D73-R96 PolarHBondContact OD2-NH1 2.78Å; R96-Y158 WeakPolarHBondContact CA-O 3.3Å; R96-T159 HydrophobicContact CG-CG2 3.78Å
97	Q	97.6	Very high	96.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.3	-177	-49.8	-171.4	-84.2	0	0	109.2	V70 K71 T72 F95 W99 T128 Y158	V70-Q97 HydrophobicContact CG1-CB 4.21Å; K71-Q97 CarbonylContact O-C 3.5Å; K71-Q97 WeakPolarHBondContact O-CA 3.23Å; T72-Q97 HydrophobicContact CG2-CG 4.32Å; F95-Q97 HydrophobicContact CD1-CG 3.96Å; F95-Q97 VanDerWaalsContact CE1-CD 3.46Å; F95-Q97 HydrophobicContact CE1-CG 3.61Å; F95-Q97 HydrophobicContact CZ-CG 4.34Å; Q97-W99 HydrophobicContact CB-CE3 4.28Å; Q97-W99 HydrophobicContact CB-CZ3 4Å; Q97-T128 PolarHBondContact NE2-OG1 3.05Å; Q97-Y158 PolarHBondContact N-O 2.98Å; Q97-Y158 PolarHBondContact O-N 3.47Å
98	S	97.7	Very high	96	Very high	26 Å²	26	39.6 Å²	39.6	18%	0.182	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	129.7	176.5	-173.2	0	0	0	0	110.5	K71 L156	K71-S98 PolarHBondContact N-O 3.26Å; K71-S98 PolarHBondContact O-N 2.98Å; S98-L156 WeakPolarHBondContact CA-O 3.45Å; S98-L156 VanDerWaalsContact CB-O 3.3Å; S98-L156 WeakPolarHBondContact CB-O 3.45Å; S98-L156 PolarHBondContact OG-O 2.86Å
99	W	97.8	Very high	95.6	Very high	5 Å²	5	44 Å²	44	2%	0.019	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	168.6	178.7	66.5	94.7	0	0	0	108.7	E69 V70 Q97 W124 T125 P126 L156 Y158	E69-W99 WeakPolarHBondContact O-CB 3.45Å; V70-W99 HydrophobicContact CG2-CB 4.23Å; Q97-W99 HydrophobicContact CB-CE3 4.28Å; Q97-W99 HydrophobicContact CB-CZ3 4Å; W99-W124 AromaticContact CD1-CZ3 3.99Å; W99-W124 HydrophobicContact CD2-CZ3 4.48Å; W99-W124 HydrophobicContact CG-CZ3 4.38Å; W99-W124 WeakPolarHBondContact CZ2-O 3.46Å; W99-W124 AromaticContact NE1-CE3 3.82Å; W99-W124 AromaticContact NE1-CZ3 3.84Å; W99-T125 HydrophobicContact CH2-CG2 3.98Å; W99-T125 HydrophobicContact CZ2-CG2 4.2Å; W99-P126 HydrophobicContact CE3-CG 4.15Å; W99-P126 HydrophobicContact CZ3-CG 4.04Å; W99-L156 HydrophobicContact CD2-CB 4.24Å; W99-L156 HydrophobicContact CH2-CD2 4.46Å; W99-L156 HydrophobicContact CZ2-CB 4.1Å; W99-L156 HydrophobicContact CZ2-CD2 3.54Å; W99-L156 HydrophobicContact CZ2-CG 4.44Å; W99-L156 PolarHBondContact N-O 3.32Å; W99-L156 PolarHBondContact O-N 3.04Å; W99-Y158 HydrophobicContact CH2-CD1 4.13Å; W99-Y158 HydrophobicContact CH2-CG 4.18Å; W99-Y158 HydrophobicContact CZ3-CD1 4.31Å; W99-Y158 HydrophobicContact CZ3-CG 4.43Å
100	K	97.3	Very high	95.2	Very high	80 Å²	80	45.3 Å²	45.3	35%	0.348	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.5	178.7	-162.1	-179.5	-177.4	-145.9	0	111.2	E102 E153 G154	K100-E102 WeakPolarHBondContact CD-OE1 3.47Å; K100-E102 VanDerWaalsContact CE-OE1 3.27Å; K100-E102 WeakPolarHBondContact CE-OE1 3.24Å; K100-E102 WeakPolarHBondContact CE-OE2 3.34Å; K100-E102 IonicContact NZ-OE1 3.83Å; K100-E102 PolarHBondContact NZ-OE1 3.15Å; K100-E102 IonicContact NZ-OE2 3.08Å; K100-E102 PolarHBondContact NZ-OE2 2.86Å; K100-E153 VanDerWaalsContact CE-O 3.24Å; K100-E153 WeakPolarHBondContact CE-O 3.41Å; K100-G154 WeakPolarHBondContact CA-O 3.38Å
101	D	97	Very high	94.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.011	24%	0.235	C	C	.	.			trans	-120.5	105.1	170.1	-167.2	-13.7	0	0	0	108.8	Y55 P61 R103 L104 G154 L156	Y55-D101 WeakPolarHBondContact CE2-OD2 3.41Å; Y55-D101 PolarHBondContact OH-OD2 3.32Å; P61-D101 HydrophobicContact CB-CB 4.05Å; P61-D101 HydrophobicContact CG-CB 3.83Å; D101-R103 PolarHBondContact O-N 3.12Å; D101-R103 VanDerWaalsContact O-N 3.14Å; D101-R103 VanDerWaalsContact OD1-CB 3.3Å; D101-R103 WeakPolarHBondContact OD1-CB 3.41Å; D101-R103 WeakPolarHBondContact OD1-CG 3.43Å; D101-R103 IonicContact OD1-CZ 2.78Å; D101-R103 PolarHBondContact OD1-N 3.28Å; D101-R103 IonicContact OD1-NE 2.67Å; D101-R103 PolarHBondContact OD1-NE 3.36Å; D101-R103 IonicContact OD1-NH2 3.15Å; D101-R103 IonicContact OD2-CZ 2.9Å; D101-R103 IonicContact OD2-NE 3.73Å; D101-R103 PolarHBondContact OD2-NE 2.81Å; D101-R103 IonicContact OD2-NH2 3.79Å; D101-R103 PolarHBondContact OD2-NH2 2.94Å; D101-L104 HydrophobicContact CB-CD1 4.2Å; D101-L104 HydrophobicContact CB-CG 4.45Å; D101-L104 PolarHBondContact O-N 2.85Å; D101-L104 VanDerWaalsContact O-N 3.15Å; D101-G154 PolarHBondContact N-O 3.13Å; D101-L156 HydrophobicContact CB-CD1 3.85Å
102	E	95.1	Very high	94.8	Very high	57 Å²	57	49.1 Å²	49.1	27%	0.266	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-63.6	-20.2	-176.9	-46.6	-74.6	161	0	0	112.1	R66 K100 L104 K105	R66-E102 IonicContact CZ-OE1 2.94Å; R66-E102 IonicContact NH1-OE1 2.68Å; R66-E102 PolarHBondContact NH1-OE1 2.79Å; R66-E102 VanDerWaalsContact NH1-OE1 3.08Å; R66-E102 IonicContact NH2-OE1 3.82Å; R66-E102 PolarHBondContact NH2-OE1 2.8Å; K100-E102 WeakPolarHBondContact CD-OE1 3.47Å; K100-E102 VanDerWaalsContact CE-OE1 3.27Å; K100-E102 WeakPolarHBondContact CE-OE1 3.24Å; K100-E102 WeakPolarHBondContact CE-OE2 3.34Å; K100-E102 IonicContact NZ-OE1 3.83Å; K100-E102 PolarHBondContact NZ-OE1 3.15Å; K100-E102 IonicContact NZ-OE2 3.08Å; K100-E102 PolarHBondContact NZ-OE2 2.86Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 3.39Å; E102-K105 WeakPolarHBondContact O-CG 3.42Å; E102-K105 WeakPolarHBondContact OE2-CE 3.42Å; E102-K105 IonicContact OE2-NZ 2.65Å; E102-K105 PolarHBondContact OE2-NZ 2.84Å
103	R	95.4	Very high	94.5	Very high	92 Å²	92	48.8 Å²	48.8	35%	0.347	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-70	-22.2	178.5	-57.7	174.9	-69.2	176.9	0.4	112.9	Y55 D56 L59 D101	Y55-R103 HydrophobicContact CD2-CB 3.97Å; Y55-R103 HydrophobicContact CE2-CB 3.99Å; Y55-R103 PolarHBondContact OH-NH2 3.38Å; Y55-R103 VanDerWaalsContact OH-NH2 3.15Å; D56-R103 PolarHBondContact O-NH1 3.14Å; L59-R103 PolarHBondContact O-NH1 2.97Å; L59-R103 PolarHBondContact O-NH2 3.45Å; L59-R103 VanDerWaalsContact O-NH2 3.12Å; D101-R103 PolarHBondContact O-N 3.12Å; D101-R103 VanDerWaalsContact O-N 3.14Å; D101-R103 VanDerWaalsContact OD1-CB 3.3Å; D101-R103 WeakPolarHBondContact OD1-CB 3.41Å; D101-R103 WeakPolarHBondContact OD1-CG 3.43Å; D101-R103 IonicContact OD1-CZ 2.78Å; D101-R103 PolarHBondContact OD1-N 3.28Å; D101-R103 IonicContact OD1-NE 2.67Å; D101-R103 PolarHBondContact OD1-NE 3.36Å; D101-R103 IonicContact OD1-NH2 3.15Å; D101-R103 IonicContact OD2-CZ 2.9Å; D101-R103 IonicContact OD2-NE 3.73Å; D101-R103 PolarHBondContact OD2-NE 2.81Å; D101-R103 IonicContact OD2-NH2 3.79Å; D101-R103 PolarHBondContact OD2-NH2 2.94Å
104	L	95.6	Very high	94.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-102.9	20.8	-175.4	-62.6	174	0	0	0	112.8	L51 Y55 D101 E102 I123 I150 L156	L51-L104 HydrophobicContact CD2-CB 4.36Å; L51-L104 HydrophobicContact CD2-CD2 3.92Å; L51-L104 HydrophobicContact CG-CD2 3.88Å; Y55-L104 HydrophobicContact CD2-CD2 3.7Å; Y55-L104 HydrophobicContact CD2-CG 4.16Å; Y55-L104 HydrophobicContact CE2-CD1 3.91Å; Y55-L104 HydrophobicContact CE2-CD2 3.66Å; Y55-L104 HydrophobicContact CE2-CG 3.67Å; Y55-L104 HydrophobicContact CG-CD2 4.42Å; D101-L104 HydrophobicContact CB-CD1 4.2Å; D101-L104 HydrophobicContact CB-CG 4.45Å; D101-L104 PolarHBondContact O-N 2.85Å; D101-L104 VanDerWaalsContact O-N 3.15Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 3.39Å; L104-I123 HydrophobicContact CD1-CD1 4.04Å; L104-I123 HydrophobicContact CD1-CG1 4.08Å; L104-I123 HydrophobicContact CD1-CG2 3.71Å; L104-I123 HydrophobicContact CD2-CD1 4.49Å; L104-I123 HydrophobicContact CD2-CG1 4.49Å; L104-I150 HydrophobicContact CB-CG2 4.35Å; L104-I150 HydrophobicContact CD1-CD1 4.43Å; L104-I150 WeakPolarHBondContact O-CG2 3.34Å; L104-L156 HydrophobicContact CB-CD1 4.49Å; L104-L156 HydrophobicContact CD1-CD1 4.12Å; L104-L156 HydrophobicContact CD1-CD2 3.83Å; L104-L156 HydrophobicContact CD1-CG 4.47Å
105	K	95.1	Very high	93.9	Very high	101 Å²	101	54.5 Å²	54.5	44%	0.439	27%	0.268	S	S	.	.			trans	-67.2	145.9	168.2	-74.6	175.2	-177.1	166.3	0	110.7	E102 E153	E102-K105 WeakPolarHBondContact O-CG 3.42Å; E102-K105 WeakPolarHBondContact OE2-CE 3.42Å; E102-K105 IonicContact OE2-NZ 2.65Å; E102-K105 PolarHBondContact OE2-NZ 2.84Å; K105-E153 VanDerWaalsContact CE-O 3.31Å; K105-E153 WeakPolarHBondContact CE-O 3.5Å
106	F	93.9	Very high	93.2	Very high	19 Å²	19	59.4 Å²	59.4	8%	0.083	29%	0.294	C	S	.	.			trans	-142.8	164.1	173.3	63	-82	0	0	0	110.5	I47 L51 M110 L113 I150 T151 E152	I47-F106 HydrophobicContact CG2-CB 3.85Å; I47-F106 HydrophobicContact CG2-CD2 4.13Å; I47-F106 HydrophobicContact CG2-CG 4.14Å; L51-F106 HydrophobicContact CD1-CB 3.76Å; L51-F106 HydrophobicContact CD1-CD1 4.39Å; L51-F106 HydrophobicContact CD1-CG 4.46Å; F106-M110 HydrophobicContact CD2-SD 4.37Å; F106-M110 HydrophobicContact CE2-CG 4.41Å; F106-M110 VanDerWaalsContact CE2-O 3.26Å; F106-M110 WeakPolarHBondContact CE2-O 3.37Å; F106-M110 HydrophobicContact CE2-SD 3.69Å; F106-L113 HydrophobicContact CD1-CD1 3.87Å; F106-L113 HydrophobicContact CD2-CD1 4.16Å; F106-L113 HydrophobicContact CE1-CD1 3.71Å; F106-L113 HydrophobicContact CE1-CG 4Å; F106-L113 HydrophobicContact CE2-CD1 4Å; F106-L113 HydrophobicContact CE2-CG 3.95Å; F106-L113 HydrophobicContact CG-CD1 4.12Å; F106-L113 HydrophobicContact CZ-CB 4.44Å; F106-L113 HydrophobicContact CZ-CD1 3.8Å; F106-L113 HydrophobicContact CZ-CG 3.65Å; F106-I150 HydrophobicContact CD1-CG2 4.45Å; F106-I150 HydrophobicContact CE1-CB 4.48Å; F106-I150 HydrophobicContact CE1-CG2 4.13Å; F106-T151 WeakPolarHBondContact CE1-O 3.4Å; F106-E152 HydrophobicContact CE2-CB 4.48Å; F106-E152 HydrophobicContact CZ-CB 4.26Å
107	K	92.6	Very high	92.5	Very high	200 Å²	200	57.3 Å²	57.3	87%	0.87	29%	0.289	S	S	*	.			trans	-122.3	126.3	167.6	-68.4	-175.8	177.2	-177.7	0	107.9
108	G	87.9	Confident	91.9	Very high	31 Å²	31	63.5 Å²	63.5	32%	0.32	32%	0.321	S	S	.	.	S	Bend	trans	-168.7	174	179.6	0	0	0	0	0	111.1	M110	G108-M110 PolarHBondContact O-N 2.69Å
109	P	88.4	Confident	91.4	Very high	104 Å²	104	63.6 Å²	63.6	68%	0.675	32%	0.319	S	S	*	.	S	Bend	trans	-69.4	11.2	-179.2	25.5	-32.7	0	0	0	115.5
110	M	87.9	Confident	90.9	Very high	29 Å²	29	63.5 Å²	63.5	14%	0.143	32%	0.32	C	S	.	.			trans	-136.4	133.2	-180	79.1	-60.6	-45.6	0	0	111.8	F44 F106 G108 V112 L113	F44-M110 HydrophobicContact CD1-CE 3.74Å; F44-M110 HydrophobicContact CD1-SD 4.22Å; F44-M110 HydrophobicContact CE1-CE 3.12Å; F44-M110 HydrophobicContact CE1-CG 3.95Å; F44-M110 HydrophobicContact CE1-SD 3.71Å; F44-M110 HydrophobicContact CE2-CE 4.32Å; F44-M110 HydrophobicContact CZ-CE 3.45Å; F44-M110 VanDerWaalsContact CZ-CE 3.45Å; F106-M110 HydrophobicContact CD2-SD 4.37Å; F106-M110 HydrophobicContact CE2-CG 4.41Å; F106-M110 VanDerWaalsContact CE2-O 3.26Å; F106-M110 WeakPolarHBondContact CE2-O 3.37Å; F106-M110 HydrophobicContact CE2-SD 3.69Å; G108-M110 PolarHBondContact O-N 2.69Å; M110-V112 VanDerWaalsContact C-N 3.29Å; M110-V112 PolarHBondContact O-N 2.92Å; M110-L113 HydrophobicContact CG-CD2 4Å; M110-L113 HydrophobicContact CG-CG 4.45Å; M110-L113 HydrophobicContact SD-CD2 3.66Å; M110-L113 HydrophobicContact SD-CG 4.23Å
111	A	90.8	Very high	90.5	Very high	59 Å²	59	63.3 Å²	63.3	49%	0.488	33%	0.328	S	S	.	.	S	Bend	trans	-72.9	-19.7	177.2	0	0	0	0	0	113.7	T151 E152	A111-T151 WeakPolarHBondContact O-CA 3.39Å; A111-E152 PolarHBondContact O-N 3.03Å; A111-E152 VanDerWaalsContact O-N 3.07Å
112	V	93.8	Very high	90.3	Very high	50 Å²	50	68.4 Å²	68.4	30%	0.303	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	117.5	-175.6	-171.5	0	0	0	0	112.5	M110 R149 I150 T151	M110-V112 VanDerWaalsContact C-N 3.29Å; M110-V112 PolarHBondContact O-N 2.92Å; V112-R149 HydrophobicContact CG1-CB 3.99Å; V112-I150 CarbonylContact C-O 3.58Å; V112-I150 WeakPolarHBondContact CA-O 3.44Å; V112-T151 HydrophobicContact CG2-CG2 4.29Å
113	L	92.1	Very high	90.3	Very high	8 Å²	8	66 Å²	66	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.5	166.9	-68.5	171.1	0	0	0	110	F44 I47 L48 F106 M110 L115 R149 I150	F44-L113 HydrophobicContact CD1-CD2 3.94Å; F44-L113 HydrophobicContact CE1-CD2 4.1Å; I47-L113 HydrophobicContact CG2-CD1 4.21Å; L48-L113 HydrophobicContact CD2-CD1 4.35Å; F106-L113 HydrophobicContact CD1-CD1 3.87Å; F106-L113 HydrophobicContact CD2-CD1 4.16Å; F106-L113 HydrophobicContact CE1-CD1 3.71Å; F106-L113 HydrophobicContact CE1-CG 4Å; F106-L113 HydrophobicContact CE2-CD1 4Å; F106-L113 HydrophobicContact CE2-CG 3.95Å; F106-L113 HydrophobicContact CG-CD1 4.12Å; F106-L113 HydrophobicContact CZ-CB 4.44Å; F106-L113 HydrophobicContact CZ-CD1 3.8Å; F106-L113 HydrophobicContact CZ-CG 3.65Å; M110-L113 HydrophobicContact CG-CD2 4Å; M110-L113 HydrophobicContact CG-CG 4.45Å; M110-L113 HydrophobicContact SD-CD2 3.66Å; M110-L113 HydrophobicContact SD-CG 4.23Å; L113-L115 HydrophobicContact CB-CD2 4.25Å; L113-L115 HydrophobicContact CB-CG 4.43Å; L113-R149 CarbonylContact O-C 3.55Å; L113-R149 VanDerWaalsContact O-CA 3.23Å; L113-R149 WeakPolarHBondContact O-CA 3.34Å; L113-I150 PolarHBondContact N-O 2.92Å; L113-I150 PolarHBondContact O-N 2.8Å
114	R	91.8	Very high	90.4	Very high	180 Å²	180	62 Å²	62	68%	0.679	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.3	174.1	-61.2	-178.5	-176.3	83.4	-2.9	108.5	R149	R114-R149 HydrophobicContact CG-CG 4.29Å
115	L	88.7	Confident	90.4	Very high	15 Å²	15	64.1 Å²	64.1	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.1	-165.7	-56.1	174	0	0	0	111.6	L48 L113 M119 L148 I150	L48-L115 HydrophobicContact CD2-CD2 3.53Å; L113-L115 HydrophobicContact CB-CD2 4.25Å; L113-L115 HydrophobicContact CB-CG 4.43Å; L115-M119 HydrophobicContact CB-CB 4.19Å; L115-M119 HydrophobicContact CB-CG 4.45Å; L115-M119 HydrophobicContact CD1-CB 4.49Å; L115-M119 HydrophobicContact CD1-CG 3.89Å; L115-M119 HydrophobicContact CD2-CG 4.45Å; L115-M119 HydrophobicContact CG-CG 4.5Å; L115-L148 HydrophobicContact CB-CB 4.33Å; L115-L148 HydrophobicContact CD1-CD2 4.17Å; L115-L148 HydrophobicContact CD1-CG 4.42Å; L115-L148 PolarHBondContact N-O 2.8Å; L115-L148 PolarHBondContact O-N 2.98Å; L115-I150 HydrophobicContact CD1-CD1 3.42Å; L115-I150 VanDerWaalsContact CD1-CD1 3.42Å; L115-I150 HydrophobicContact CD1-CG1 3.68Å
116	N	83.1	Confident	90.5	Very high	108 Å²	108	59.7 Å²	59.7	58%	0.578	32%	0.319	S	S	*	.			trans	-78.2	162	174.1	-164.7	3.1	0	0	0	111	L118 M119	N116-L118 PolarHBondContact O-N 2.79Å; N116-M119 PolarHBondContact O-N 2.86Å
117	N	83.3	Confident	90.7	Very high	37 Å²	37	61.1 Å²	61.1	20%	0.198	33%	0.327	C	S	.	.	H	α-helix	trans	-53.5	-30.8	-174.2	-179.5	68.7	0	0	0	114.8	M119 A120 S121 P144 K146	N117-M119 VanDerWaalsContact C-N 3.27Å; N117-M119 PolarHBondContact O-N 2.84Å; N117-A120 WeakPolarHBondContact O-CB 3.35Å; N117-A120 PolarHBondContact O-N 2.81Å; N117-A120 VanDerWaalsContact O-N 3.14Å; N117-S121 PolarHBondContact O-N 3.01Å; N117-S121 VanDerWaalsContact O-N 3.12Å; N117-S121 PolarHBondContact O-OG 3.09Å; N117-P144 HydrophobicContact CB-CB 3.97Å; N117-P144 HydrophobicContact CB-CG 4.44Å; N117-K146 HydrophobicContact CB-CB 4.49Å; N117-K146 WeakPolarHBondContact OD1-CD 3.48Å
118	L	85.3	Confident	90.9	Very high	130 Å²	130	53 Å²	53	68%	0.681	30%	0.295	S	S	*	.	H	α-helix	trans	-59.6	-35.9	178	-177.4	64.9	0	0	0	113	N116 S121	N116-L118 PolarHBondContact O-N 2.79Å; L118-S121 PolarHBondContact O-OG 2.88Å
119	M	86	Confident	91.3	Very high	28 Å²	28	54.9 Å²	54.9	14%	0.138	29%	0.294	C	S	.	.	H	α-helix	trans	-77.8	-36.6	176.2	-165.9	65.8	172	0	0	110.9	L48 L52 L115 N116 N117 S121 K122 I123	L48-M119 HydrophobicContact CD2-CE 4.25Å; L52-M119 HydrophobicContact CD1-CE 3.56Å; L52-M119 HydrophobicContact CD1-SD 3.71Å; L52-M119 HydrophobicContact CD2-CE 3.96Å; L52-M119 HydrophobicContact CG-CE 3.57Å; L52-M119 HydrophobicContact CG-SD 4.37Å; L115-M119 HydrophobicContact CB-CB 4.19Å; L115-M119 HydrophobicContact CB-CG 4.45Å; L115-M119 HydrophobicContact CD1-CB 4.49Å; L115-M119 HydrophobicContact CD1-CG 3.89Å; L115-M119 HydrophobicContact CD2-CG 4.45Å; L115-M119 HydrophobicContact CG-CG 4.5Å; N116-M119 PolarHBondContact O-N 2.86Å; N117-M119 VanDerWaalsContact C-N 3.27Å; N117-M119 PolarHBondContact O-N 2.84Å; M119-S121 VanDerWaalsContact C-N 3.27Å; M119-S121 PolarHBondContact O-N 3.08Å; M119-K122 PolarHBondContact O-N 3.35Å; M119-I123 HydrophobicContact CG-CD1 4.32Å
120	A	87.5	Confident	91.8	Very high	4 Å²	4	51 Å²	51	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-33.3	178	0	0	0	0	0	112.9	N117 K122 I123 L148 Y158	N117-A120 WeakPolarHBondContact O-CB 3.35Å; N117-A120 PolarHBondContact O-N 2.81Å; N117-A120 VanDerWaalsContact O-N 3.14Å; A120-K122 VanDerWaalsContact C-N 3.26Å; A120-K122 PolarHBondContact O-N 3Å; A120-I123 PolarHBondContact O-N 3.31Å; A120-L148 HydrophobicContact CB-CB 4.05Å; A120-L148 HydrophobicContact CB-CD2 4.1Å; A120-Y158 HydrophobicContact CB-CE2 4.41Å
121	S	89.4	Confident	92.2	Very high	75 Å²	75	53.3 Å²	53.3	52%	0.524	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14	173.6	43.8	0	0	0	0	115.1	N117 L118 M119	N117-S121 PolarHBondContact O-N 3.01Å; N117-S121 VanDerWaalsContact O-N 3.12Å; N117-S121 PolarHBondContact O-OG 3.09Å; L118-S121 PolarHBondContact O-OG 2.88Å; M119-S121 VanDerWaalsContact C-N 3.27Å; M119-S121 PolarHBondContact O-N 3.08Å
122	K	93	Very high	92.5	Very high	110 Å²	110	51.7 Å²	51.7	48%	0.478	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-3.7	176.5	-64	-173	179.8	-175.3	0	113.3	L52 N57 M119 A120	L52-K122 HydrophobicContact CD1-CB 4.2Å; L52-K122 HydrophobicContact CD1-CD 3.56Å; L52-K122 HydrophobicContact CD2-CB 4.31Å; N57-K122 WeakPolarHBondContact CB-O 3.16Å; M119-K122 PolarHBondContact O-N 3.35Å; A120-K122 VanDerWaalsContact C-N 3.26Å; A120-K122 PolarHBondContact O-N 3Å
123	I	95.1	Very high	92.6	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	26%	0.26	C	S	.	.	S	Bend	trans	-112.6	144.2	-175.4	-73.9	166.9	0	0	0	108.8	L52 Y55 L104 M119 A120 T125 L148 I150 L156	L52-I123 HydrophobicContact CD2-CG1 4.29Å; Y55-I123 HydrophobicContact CE1-CG1 4.47Å; L104-I123 HydrophobicContact CD1-CD1 4.04Å; L104-I123 HydrophobicContact CD1-CG1 4.08Å; L104-I123 HydrophobicContact CD1-CG2 3.71Å; L104-I123 HydrophobicContact CD2-CD1 4.49Å; L104-I123 HydrophobicContact CD2-CG1 4.49Å; M119-I123 HydrophobicContact CG-CD1 4.32Å; A120-I123 PolarHBondContact O-N 3.31Å; I123-T125 PolarHBondContact O-N 2.97Å; I123-L148 HydrophobicContact CD1-CD2 3.7Å; I123-I150 HydrophobicContact CD1-CD1 3.9Å; I123-L156 HydrophobicContact CG2-CD2 3.74Å
124	W	96.9	Very high	92.6	Very high	10 Å²	10	55 Å²	55	4%	0.038	28%	0.278	C	S	.	.			trans	-61.4	131.2	173.2	177.9	92.5	0	0	0	109.6	Y55 N57 R60 P61 T68 W99 P126 Y191	Y55-W124 PolarHBondContact OH-N 3.31Å; Y55-W124 VanDerWaalsContact OH-N 3.14Å; N57-W124 WeakPolarHBondContact O-CB 3.48Å; R60-W124 HydrophobicContact CB-CD2 4.4Å; R60-W124 HydrophobicContact CB-CH2 4.44Å; R60-W124 HydrophobicContact CB-CZ2 3.7Å; P61-W124 HydrophobicContact CG-CD2 4.49Å; P61-W124 HydrophobicContact CG-CE3 3.88Å; P61-W124 HydrophobicContact CG-CZ3 4.16Å; T68-W124 HydrophobicContact CG2-CH2 4.03Å; T68-W124 HydrophobicContact CG2-CZ3 4.13Å; W99-W124 AromaticContact CD1-CZ3 3.99Å; W99-W124 HydrophobicContact CD2-CZ3 4.48Å; W99-W124 HydrophobicContact CG-CZ3 4.38Å; W99-W124 WeakPolarHBondContact CZ2-O 3.46Å; W99-W124 AromaticContact NE1-CE3 3.82Å; W99-W124 AromaticContact NE1-CZ3 3.84Å; W124-P126 HydrophobicContact CH2-CB 4.04Å; W124-P126 HydrophobicContact CZ3-CB 4.45Å; W124-Y191 HydrophobicContact CZ2-CD2 4.28Å; W124-Y191 AromaticContact CZ2-CE2 3.67Å; W124-Y191 HydrophobicContact CZ2-CE2 3.67Å; W124-Y191 AromaticContact NE1-CE2 3.87Å; W124-Y191 AromaticContact NE1-CZ 3.71Å; W124-Y191 PolarHBondContact NE1-OH 2.87Å
125	T	96.3	Very high	92.7	Very high	44 Å²	44	53 Å²	53	27%	0.27	28%	0.275	S	S	.	.			trans	-128.6	144.2	173.7	59.4	0	0	0	0	109.5	W99 I123 D127 Y158	W99-T125 HydrophobicContact CH2-CG2 3.98Å; W99-T125 HydrophobicContact CZ2-CG2 4.2Å; I123-T125 PolarHBondContact O-N 2.97Å; T125-D127 PolarHBondContact O-N 2.89Å; T125-Y158 HydrophobicContact CG2-CD1 4.26Å; T125-Y158 HydrophobicContact CG2-CE1 4.08Å
126	P	97.3	Very high	93	Very high	7 Å²	7	55.1 Å²	55.1	5%	0.045	29%	0.29	C	S	.	.			trans	-60.2	138.9	177.3	26.4	-34.8	0	0	0	111.1	V70 W99 W124 T128	V70-P126 HydrophobicContact CG1-CG 4.06Å; V70-P126 HydrophobicContact CG2-CB 4.19Å; V70-P126 HydrophobicContact CG2-CG 4.34Å; W99-P126 HydrophobicContact CE3-CG 4.15Å; W99-P126 HydrophobicContact CZ3-CG 4.04Å; W124-P126 HydrophobicContact CH2-CB 4.04Å; W124-P126 HydrophobicContact CZ3-CB 4.45Å; P126-T128 PolarHBondContact O-N 3.48Å
127	D	96.6	Very high	93.6	Very high	49 Å²	49	53.4 Å²	53.4	26%	0.262	28%	0.284	S	S	.	.			trans	-81.7	47.7	-175.6	65.5	-26.8	0	0	0	112.3	T125 F129 S188 Y189 A190 Y191	T125-D127 PolarHBondContact O-N 2.89Å; D127-F129 PolarHBondContact O-N 3.06Å; D127-S188 VanDerWaalsContact CG-OG 3.28Å; D127-S188 WeakPolarHBondContact OD1-CB 2.98Å; D127-S188 PolarHBondContact OD1-OG 2.85Å; D127-S188 PolarHBondContact OD2-OG 3.03Å; D127-Y189 PolarHBondContact O-N 3.17Å; D127-Y189 WeakPolarHBondContact OD2-CB 3.26Å; D127-Y189 PolarHBondContact OD2-N 3.37Å; D127-Y189 VanDerWaalsContact OD2-N 3.15Å; D127-A190 WeakPolarHBondContact OD2-CB 3.44Å; D127-A190 PolarHBondContact OD2-N 2.98Å; D127-Y191 WeakPolarHBondContact OD1-CD2 3.37Å
128	T	97.7	Very high	94.2	Very high	31 Å²	31	54.2 Å²	54.2	19%	0.19	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.4	-171.8	-46.8	0	0	0	0	112.1	F95 Q97 P126 F186 G187 Y198	F95-T128 HydrophobicContact CE1-CG2 3.9Å; F95-T128 HydrophobicContact CZ-CG2 3.81Å; Q97-T128 PolarHBondContact NE2-OG1 3.05Å; P126-T128 PolarHBondContact O-N 3.48Å; T128-F186 HydrophobicContact CG2-CB 4.21Å; T128-F186 HydrophobicContact CG2-CD2 3.78Å; T128-F186 HydrophobicContact CG2-CG 4.43Å; T128-G187 VanDerWaalsContact CA-O 3.32Å; T128-G187 WeakPolarHBondContact CA-O 3.44Å; T128-Y198 HydrophobicContact CG2-CE1 4.03Å; T128-Y198 WeakPolarHBondContact OG1-CE1 3.4Å; T128-Y198 PolarHBondContact OG1-OH 3.05Å
129	F	97.4	Very high	94.6	Very high	70 Å²	70	50.5 Å²	50.5	31%	0.307	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	162.8	177	84.3	-69.6	0	0	0	111.4	D127 H131 F186 G187 S188 Y189	D127-F129 PolarHBondContact O-N 3.06Å; F129-H131 AromaticContact CE1-CE1 3.75Å; F129-H131 AromaticContact CE1-NE2 3.97Å; F129-H131 AromaticContact CZ-CE1 3.46Å; F129-H131 VanDerWaalsContact CZ-CE1 3.46Å; F129-H131 WeakPolarHBondContact CZ-CE1 3.44Å; F129-H131 AromaticContact CZ-CG 3.95Å; F129-H131 AromaticContact CZ-ND1 3.43Å; F129-H131 WeakPolarHBondContact CZ-ND1 3.45Å; F129-H131 AromaticContact CZ-NE2 4Å; F129-F186 WeakPolarHBondContact O-CA 3.39Å; F129-F186 VanDerWaalsContact O-CB 3.31Å; F129-F186 WeakPolarHBondContact O-CB 3.43Å; F129-G187 WeakPolarHBondContact CD1-O 3.41Å; F129-G187 PolarHBondContact N-O 2.96Å; F129-G187 PolarHBondContact O-N 3.02Å; F129-G187 VanDerWaalsContact O-N 3.17Å; F129-S188 WeakPolarHBondContact CE1-O 2.82Å; F129-Y189 HydrophobicContact CD1-CD2 4.1Å; F129-Y189 HydrophobicContact CD1-CG 4.41Å; F129-Y189 HydrophobicContact CD2-CD2 4.42Å; F129-Y189 AromaticContact CE1-CD2 4Å; F129-Y189 HydrophobicContact CE1-CD2 4Å; F129-Y189 HydrophobicContact CE1-CG 4.49Å; F129-Y189 HydrophobicContact CE2-CD2 4.31Å; F129-Y189 HydrophobicContact CG-CD2 4.31Å; F129-Y189 HydrophobicContact CZ-CD2 4.09Å
130	F	97.9	Very high	94.9	Very high	22 Å²	22	54.5 Å²	54.5	10%	0.096	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.1	175.8	-63.9	-83.6	0	0	0	110.1	F95 N132 G133 L162 V164 L184 K185 F186	F95-F130 HydrophobicContact CD2-CZ 4.47Å; F130-N132 VanDerWaalsContact C-N 3.29Å; F130-N132 PolarHBondContact O-N 3.08Å; F130-G133 PolarHBondContact O-N 2.81Å; F130-G133 VanDerWaalsContact O-N 3.12Å; F130-L162 HydrophobicContact CE2-CD1 3.75Å; F130-L162 HydrophobicContact CZ-CD1 4.1Å; F130-V164 HydrophobicContact CD1-CG1 4.43Å; F130-V164 HydrophobicContact CD2-CG1 4.24Å; F130-V164 HydrophobicContact CD2-CG2 3.98Å; F130-V164 HydrophobicContact CE1-CG2 4.37Å; F130-V164 HydrophobicContact CE2-CG2 3.62Å; F130-V164 HydrophobicContact CG-CG1 4.14Å; F130-V164 HydrophobicContact CZ-CG2 3.84Å; F130-L184 HydrophobicContact CD1-CD1 3.59Å; F130-L184 HydrophobicContact CD1-CG 4.03Å; F130-L184 HydrophobicContact CE1-CD1 3.84Å; F130-L184 HydrophobicContact CE1-CD2 4.16Å; F130-L184 HydrophobicContact CE1-CG 4Å; F130-K185 CarbonylContact C-O 3.56Å; F130-K185 VanDerWaalsContact CA-O 3.22Å; F130-K185 WeakPolarHBondContact CA-O 3.32Å; F130-F186 HydrophobicContact CD1-CB 3.83Å; F130-F186 HydrophobicContact CE1-CB 4Å; F130-F186 HydrophobicContact CE1-CD1 4.35Å; F130-F186 HydrophobicContact CE1-CG 4.44Å
131	H	96.3	Very high	94.9	Very high	77 Å²	77	61.3 Å²	61.3	36%	0.356	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.5	-176.9	-67.4	-95.4	0	0	0	112.7	F129 K185 V241	F129-H131 AromaticContact CE1-CE1 3.75Å; F129-H131 AromaticContact CE1-NE2 3.97Å; F129-H131 AromaticContact CZ-CE1 3.46Å; F129-H131 VanDerWaalsContact CZ-CE1 3.46Å; F129-H131 WeakPolarHBondContact CZ-CE1 3.44Å; F129-H131 AromaticContact CZ-CG 3.95Å; F129-H131 AromaticContact CZ-ND1 3.43Å; F129-H131 WeakPolarHBondContact CZ-ND1 3.45Å; F129-H131 AromaticContact CZ-NE2 4Å; H131-K185 HydrophobicContact CB-CB 4.05Å; H131-K185 PolarHBondContact N-O 2.94Å; H131-V241 WeakPolarHBondContact NE2-CG2 3.1Å
132	N	96.7	Very high	94.8	Very high	26 Å²	26	63.8 Å²	63.8	14%	0.139	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	17.7	177.2	69.5	-47.5	0	0	0	113	F130 K134 A166 E167 P183 K185	F130-N132 VanDerWaalsContact C-N 3.29Å; F130-N132 PolarHBondContact O-N 3.08Å; N132-K134 PolarHBondContact O-N 2.92Å; N132-A166 CarbonylContact O-C 3.55Å; N132-A166 WeakPolarHBondContact O-CA 3.47Å; N132-E167 HydrophobicContact CB-CB 4.31Å; N132-E167 PolarHBondContact ND2-O 3.17Å; N132-E167 PolarHBondContact O-N 3.02Å; N132-P183 PolarHBondContact ND2-O 2.54Å; N132-K185 PolarHBondContact OD1-N 2.73Å
133	G	95.3	Very high	94.6	Very high	29 Å²	29	64.4 Å²	64.4	30%	0.299	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	109.6	177.2	0	0	0	0	0	111.8	F130	F130-G133 PolarHBondContact O-N 2.81Å; F130-G133 VanDerWaalsContact O-N 3.12Å
134	K	93.4	Very high	94.3	Very high	97 Å²	97	66.4 Å²	66.4	42%	0.422	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-44.3	174.7	-70.6	-178.1	175.4	175.1	0	111.7	D86 E88 N132 R165 E167	D86-K134 PolarHBondContact O-NZ 2.86Å; E88-K134 HydrophobicContact CB-CD 4.39Å; N132-K134 PolarHBondContact O-N 2.92Å; K134-R165 PolarHBondContact N-O 3.23Å; K134-E167 VanDerWaalsContact CE-OE2 3.24Å; K134-E167 WeakPolarHBondContact CE-OE2 3.23Å; K134-E167 HydrophobicContact CG-CB 4.48Å
135	K	93.8	Very high	94	Very high	140 Å²	140	68.5 Å²	68.5	61%	0.609	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.1	126.8	176.1	-172.3	170.5	-177.4	173.4	0	110.2	R165	K135-R165 PolarHBondContact N-O 2.87Å; K135-R165 WeakPolarHBondContact O-CB 3.36Å; K135-R165 PolarHBondContact O-N 3.14Å
136	S	94.1	Very high	93.8	Very high	58 Å²	58	69.8 Å²	69.8	41%	0.406	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.7	179	-56.9	0	0	0	0	110.6	T163	S136-T163 CarbonylContact C-O 3.59Å; S136-T163 WeakPolarHBondContact CA-O 3.31Å
137	V	96	Very high	93.5	Very high	73 Å²	73	72.4 Å²	72.4	44%	0.442	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.3	179.7	-179.3	0	0	0	0	108.7	L162 T163	V137-L162 WeakPolarHBondContact O-CA 3.44Å; V137-T163 PolarHBondContact N-O 2.91Å; V137-T163 PolarHBondContact O-N 3.39Å
138	A	95.4	Very high	93.5	Very high	54 Å²	54	70.1 Å²	70.1	45%	0.446	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.8	164.9	0	0	0	0	0	108.8	L162	A138-L162 HydrophobicContact CB-CD2 3.74Å
139	H	93.6	Very high	93.4	Very high	52 Å²	52	73.2 Å²	73.2	24%	0.241	38%	0.384	C	S	.	.			trans	-71	141.5	-176.9	-69.5	-89.5	0	0	0	111.5	N145 R161 T163	H139-N145 HydrophobicContact CB-CB 4.1Å; H139-N145 WeakPolarHBondContact CB-OD1 3.48Å; H139-N145 WeakPolarHBondContact O-CB 3.36Å; H139-N145 PolarHBondContact O-N 2.98Å; H139-N145 PolarHBondContact O-OD1 3.47Å; H139-N145 VanDerWaalsContact O-OD1 3.06Å; H139-R161 PolarHBondContact N-O 2.9Å; H139-R161 VanDerWaalsContact N-O 3.17Å; H139-T163 PolarHBondContact CE1-OG1 3.36Å; H139-T163 PolarHBondContact NE2-OG1 2.87Å
140	N	93	Very high	93.3	Very high	112 Å²	112	69.9 Å²	69.9	60%	0.599	37%	0.37	S	S	*	.			trans	-137.2	23.1	-175.1	69.3	-16.6	0	0	0	115.2	T142 M143 N145	N140-T142 CarbonylContact O-C 3.57Å; N140-M143 CarbonylContact C-O 3.58Å; N140-M143 CarbonylContact O-C 3.53Å; N140-N145 PolarHBondContact N-OD1 2.85Å
141	M	87.1	Confident	93.2	Very high	146 Å²	146	70.5 Å²	70.5	72%	0.719	38%	0.375	S	S	*	.	S	Bend	trans	-115	127.4	-174.2	-171.8	63	68.1	0	0	111.3	M143 N145	M141-M143 VanDerWaalsContact C-N 3.29Å; M141-M143 PolarHBondContact N-O 3.1Å; M141-N145 PolarHBondContact N-OD1 2.87Å
142	T	88.7	Confident	93.1	Very high	128 Å²	128	71 Å²	71	79%	0.785	38%	0.377	S	S	*	.	S	Bend	cis	-77.5	-10.4	-11.1	50	0	0	0	0	113.5	N140	N140-T142 CarbonylContact O-C 3.57Å
143	M	87.6	Confident	93	Very high	122 Å²	122	74.6 Å²	74.6	60%	0.601	39%	0.393	S	S	*	.	S	Bend	trans	-130	157.5	173.7	-72.4	-72.7	172.1	0	0	108.7	N140 M141 N145	N140-M143 CarbonylContact C-O 3.58Å; N140-M143 CarbonylContact O-C 3.53Å; M141-M143 VanDerWaalsContact C-N 3.29Å; M141-M143 PolarHBondContact N-O 3.1Å; M143-N145 PolarHBondContact O-N 2.83Å; M143-N145 VanDerWaalsContact O-N 3.1Å; M143-N145 PolarHBondContact O-OD1 2.91Å
144	P	90.3	Very high	93	Very high	48 Å²	48	73.2 Å²	73.2	31%	0.312	38%	0.379	S	S	.	.			trans	-43.4	118.2	168.3	-31.5	38.5	0	0	0	111.8	N117 K146	N117-P144 HydrophobicContact CB-CB 3.97Å; N117-P144 HydrophobicContact CB-CG 4.44Å; P144-K146 PolarHBondContact O-N 2.89Å
145	N	89.6	Confident	93.2	Very high	53 Å²	53	70.8 Å²	70.8	28%	0.283	37%	0.372	S	S	.	.	S	Bend	trans	-78	58.7	-177	-63	91	0	0	0	110.6	H139 N140 M141 M143 M160 R161	H139-N145 HydrophobicContact CB-CB 4.1Å; H139-N145 WeakPolarHBondContact CB-OD1 3.48Å; H139-N145 WeakPolarHBondContact O-CB 3.36Å; H139-N145 PolarHBondContact O-N 2.98Å; H139-N145 PolarHBondContact O-OD1 3.47Å; H139-N145 VanDerWaalsContact O-OD1 3.06Å; N140-N145 PolarHBondContact N-OD1 2.85Å; M141-N145 PolarHBondContact N-OD1 2.87Å; M143-N145 PolarHBondContact O-N 2.83Å; M143-N145 VanDerWaalsContact O-N 3.1Å; M143-N145 PolarHBondContact O-OD1 2.91Å; N145-M160 WeakPolarHBondContact O-CA 3.24Å; N145-R161 HydrophobicContact CB-CB 3.82Å; N145-R161 PolarHBondContact O-N 3.36Å
146	K	92	Very high	93.3	Very high	72 Å²	72	64.1 Å²	64.1	31%	0.313	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131	-177.3	-73.9	176	168.3	-165.3	0	108.8	N117 P144 Y158 T159 M160	N117-K146 HydrophobicContact CB-CB 4.49Å; N117-K146 WeakPolarHBondContact OD1-CD 3.48Å; P144-K146 PolarHBondContact O-N 2.89Å; K146-Y158 HydrophobicContact CB-CE2 4.2Å; K146-Y158 HydrophobicContact CD-CE2 4.34Å; K146-Y158 WeakPolarHBondContact CD-OH 3.44Å; K146-Y158 VanDerWaalsContact CE-OH 3.22Å; K146-Y158 WeakPolarHBondContact CE-OH 3.48Å; K146-Y158 HydrophobicContact CG-CE2 4.28Å; K146-Y158 PolarHBondContact NZ-OH 3.4Å; K146-Y158 VanDerWaalsContact NZ-OH 3.15Å; K146-T159 CarbonylContact C-O 3.5Å; K146-T159 VanDerWaalsContact CA-O 3.31Å; K146-T159 WeakPolarHBondContact CA-O 3.5Å; K146-M160 HydrophobicContact CG-CB 4.12Å
147	L	91.8	Very high	93.4	Very high	62 Å²	62	64.2 Å²	64.2	33%	0.325	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126	176.3	179.6	62.3	0	0	0	108.9	R149 Y158 T159	L147-R149 HydrophobicContact CG-CG 4.33Å; L147-Y158 WeakPolarHBondContact O-CA 3.22Å; L147-T159 PolarHBondContact N-O 2.84Å; L147-T159 PolarHBondContact O-N 2.88Å
148	L	95	Very high	93.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.2	169.6	-179.4	63	0	0	0	109	L115 A120 I123 I150 L156 L157	L115-L148 HydrophobicContact CB-CB 4.33Å; L115-L148 HydrophobicContact CD1-CD2 4.17Å; L115-L148 HydrophobicContact CD1-CG 4.42Å; L115-L148 PolarHBondContact N-O 2.8Å; L115-L148 PolarHBondContact O-N 2.98Å; A120-L148 HydrophobicContact CB-CB 4.05Å; A120-L148 HydrophobicContact CB-CD2 4.1Å; I123-L148 HydrophobicContact CD1-CD2 3.7Å; L148-I150 HydrophobicContact CD2-CD1 4.44Å; L148-I150 HydrophobicContact CD2-CG1 4.46Å; L148-I150 HydrophobicContact CG-CG1 4.32Å; L148-L156 HydrophobicContact CD1-CB 4.23Å; L148-L156 HydrophobicContact CD1-CD2 4.12Å; L148-L156 HydrophobicContact CD1-CG 4.36Å; L148-L157 CarbonylContact C-O 3.59Å; L148-L157 WeakPolarHBondContact CA-O 3.38Å
149	R	95.5	Very high	93.5	Very high	97 Å²	97	59.9 Å²	59.9	37%	0.366	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.6	168.2	-56.8	-175.8	-177.6	169.3	0.8	109.1	V112 L113 R114 L147 L156 L157	V112-R149 HydrophobicContact CG1-CB 3.99Å; L113-R149 CarbonylContact O-C 3.55Å; L113-R149 VanDerWaalsContact O-CA 3.23Å; L113-R149 WeakPolarHBondContact O-CA 3.34Å; R114-R149 HydrophobicContact CG-CG 4.29Å; L147-R149 HydrophobicContact CG-CG 4.33Å; R149-L156 CarbonylContact O-C 3.38Å; R149-L156 WeakPolarHBondContact O-CA 3.35Å; R149-L157 HydrophobicContact CB-CB 4.38Å; R149-L157 PolarHBondContact N-O 3.31Å; R149-L157 PolarHBondContact O-N 3.38Å
150	I	96.1	Very high	93.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.8	175.8	-49.4	-174.7	0	0	0	107.5	L51 L104 F106 V112 L113 L115 I123 L148 L156	L51-I150 HydrophobicContact CD2-CD1 3.83Å; L104-I150 HydrophobicContact CB-CG2 4.35Å; L104-I150 HydrophobicContact CD1-CD1 4.43Å; L104-I150 WeakPolarHBondContact O-CG2 3.34Å; F106-I150 HydrophobicContact CD1-CG2 4.45Å; F106-I150 HydrophobicContact CE1-CB 4.48Å; F106-I150 HydrophobicContact CE1-CG2 4.13Å; V112-I150 CarbonylContact C-O 3.58Å; V112-I150 WeakPolarHBondContact CA-O 3.44Å; L113-I150 PolarHBondContact N-O 2.92Å; L113-I150 PolarHBondContact O-N 2.8Å; L115-I150 HydrophobicContact CD1-CD1 3.42Å; L115-I150 VanDerWaalsContact CD1-CD1 3.42Å; L115-I150 HydrophobicContact CD1-CG1 3.68Å; I123-I150 HydrophobicContact CD1-CD1 3.9Å; L148-I150 HydrophobicContact CD2-CD1 4.44Å; L148-I150 HydrophobicContact CD2-CG1 4.46Å; L148-I150 HydrophobicContact CG-CG1 4.32Å; I150-L156 HydrophobicContact CG1-CG 4.32Å
151	T	96.6	Very high	93.7	Very high	35 Å²	35	57.4 Å²	57.4	22%	0.215	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	156.6	173.4	55.2	0	0	0	0	110.5	F106 A111 V112 E153 G154 T155	F106-T151 WeakPolarHBondContact CE1-O 3.4Å; A111-T151 WeakPolarHBondContact O-CA 3.39Å; V112-T151 HydrophobicContact CG2-CG2 4.29Å; T151-E153 VanDerWaalsContact CB-OE2 3.28Å; T151-E153 WeakPolarHBondContact CB-OE2 3.35Å; T151-E153 PolarHBondContact O-N 3.49Å; T151-E153 VanDerWaalsContact O-N 3.17Å; T151-E153 PolarHBondContact OG1-OE2 2.89Å; T151-G154 PolarHBondContact O-N 3.21Å; T151-T155 PolarHBondContact N-O 2.94Å; T151-T155 VanDerWaalsContact OG1-CA 3.25Å; T151-T155 WeakPolarHBondContact OG1-CA 3.23Å; T151-T155 WeakPolarHBondContact OG1-CB 3.26Å; T151-T155 PolarHBondContact OG1-N 2.68Å; T151-T155 PolarHBondContact OG1-O 2.75Å
152	E	94.6	Very high	94.1	Very high	86 Å²	86	51.1 Å²	51.1	40%	0.402	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.5	-179.1	60.2	-179	-145.2	0	0	113.6	F106 A111 G154	F106-E152 HydrophobicContact CE2-CB 4.48Å; F106-E152 HydrophobicContact CZ-CB 4.26Å; A111-E152 PolarHBondContact O-N 3.03Å; A111-E152 VanDerWaalsContact O-N 3.07Å; E152-G154 PolarHBondContact O-N 2.75Å
153	E	94.6	Very high	94.5	Very high	102 Å²	102	46.2 Å²	46.2	48%	0.477	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-1.9	177.4	-49.6	88.5	159.2	0	0	114.1	K100 K105 T151	K100-E153 VanDerWaalsContact CE-O 3.24Å; K100-E153 WeakPolarHBondContact CE-O 3.41Å; K105-E153 VanDerWaalsContact CE-O 3.31Å; K105-E153 WeakPolarHBondContact CE-O 3.5Å; T151-E153 VanDerWaalsContact CB-OE2 3.28Å; T151-E153 WeakPolarHBondContact CB-OE2 3.35Å; T151-E153 PolarHBondContact O-N 3.49Å; T151-E153 VanDerWaalsContact O-N 3.17Å; T151-E153 PolarHBondContact OG1-OE2 2.89Å
154	G	94.6	Very high	95	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	80.7	22	-176.2	0	0	0	0	0	113.9	K100 D101 T151 E152 L156	K100-G154 WeakPolarHBondContact CA-O 3.38Å; D101-G154 PolarHBondContact N-O 3.13Å; T151-G154 PolarHBondContact O-N 3.21Å; E152-G154 PolarHBondContact O-N 2.75Å; G154-L156 VanDerWaalsContact O-CD1 3.3Å; G154-L156 WeakPolarHBondContact O-CD1 3.4Å
155	T	96.9	Very high	95.4	Very high	46 Å²	46	42.7 Å²	42.7	28%	0.282	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.1	169	-47.7	0	0	0	0	109.6	T151	T151-T155 PolarHBondContact N-O 2.94Å; T151-T155 VanDerWaalsContact OG1-CA 3.25Å; T151-T155 WeakPolarHBondContact OG1-CA 3.23Å; T151-T155 WeakPolarHBondContact OG1-CB 3.26Å; T151-T155 PolarHBondContact OG1-N 2.68Å; T151-T155 PolarHBondContact OG1-O 2.75Å
156	L	96.8	Very high	95.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	145.4	179.3	-74.5	73.1	0	0	0	109.6	S98 W99 D101 L104 I123 L148 R149 I150 G154	S98-L156 WeakPolarHBondContact CA-O 3.45Å; S98-L156 VanDerWaalsContact CB-O 3.3Å; S98-L156 WeakPolarHBondContact CB-O 3.45Å; S98-L156 PolarHBondContact OG-O 2.86Å; W99-L156 HydrophobicContact CD2-CB 4.24Å; W99-L156 HydrophobicContact CH2-CD2 4.46Å; W99-L156 HydrophobicContact CZ2-CB 4.1Å; W99-L156 HydrophobicContact CZ2-CD2 3.54Å; W99-L156 HydrophobicContact CZ2-CG 4.44Å; W99-L156 PolarHBondContact N-O 3.32Å; W99-L156 PolarHBondContact O-N 3.04Å; D101-L156 HydrophobicContact CB-CD1 3.85Å; L104-L156 HydrophobicContact CB-CD1 4.49Å; L104-L156 HydrophobicContact CD1-CD1 4.12Å; L104-L156 HydrophobicContact CD1-CD2 3.83Å; L104-L156 HydrophobicContact CD1-CG 4.47Å; I123-L156 HydrophobicContact CG2-CD2 3.74Å; L148-L156 HydrophobicContact CD1-CB 4.23Å; L148-L156 HydrophobicContact CD1-CD2 4.12Å; L148-L156 HydrophobicContact CD1-CG 4.36Å; R149-L156 CarbonylContact O-C 3.38Å; R149-L156 WeakPolarHBondContact O-CA 3.35Å; I150-L156 HydrophobicContact CG1-CG 4.32Å; G154-L156 VanDerWaalsContact O-CD1 3.3Å; G154-L156 WeakPolarHBondContact O-CD1 3.4Å
157	L	96.6	Very high	96	Very high	60 Å²	60	40.9 Å²	40.9	31%	0.314	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	110.4	164.6	174	65.5	0	0	0	108.4	L148 R149	L148-L157 CarbonylContact C-O 3.59Å; L148-L157 WeakPolarHBondContact CA-O 3.38Å; R149-L157 HydrophobicContact CB-CB 4.38Å; R149-L157 PolarHBondContact N-O 3.31Å; R149-L157 PolarHBondContact O-N 3.38Å
158	Y	96.3	Very high	96.2	Very high	11 Å²	11	38 Å²	38	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.8	176.8	-177	-137.8	0	0	0	109.1	R96 Q97 W99 A120 T125 K146 L147 M160	R96-Y158 WeakPolarHBondContact CA-O 3.3Å; Q97-Y158 PolarHBondContact N-O 2.98Å; Q97-Y158 PolarHBondContact O-N 3.47Å; W99-Y158 HydrophobicContact CH2-CD1 4.13Å; W99-Y158 HydrophobicContact CH2-CG 4.18Å; W99-Y158 HydrophobicContact CZ3-CD1 4.31Å; W99-Y158 HydrophobicContact CZ3-CG 4.43Å; A120-Y158 HydrophobicContact CB-CE2 4.41Å; T125-Y158 HydrophobicContact CG2-CD1 4.26Å; T125-Y158 HydrophobicContact CG2-CE1 4.08Å; K146-Y158 HydrophobicContact CB-CE2 4.2Å; K146-Y158 HydrophobicContact CD-CE2 4.34Å; K146-Y158 WeakPolarHBondContact CD-OH 3.44Å; K146-Y158 VanDerWaalsContact CE-OH 3.22Å; K146-Y158 WeakPolarHBondContact CE-OH 3.48Å; K146-Y158 HydrophobicContact CG-CE2 4.28Å; K146-Y158 PolarHBondContact NZ-OH 3.4Å; K146-Y158 VanDerWaalsContact NZ-OH 3.15Å; L147-Y158 WeakPolarHBondContact O-CA 3.22Å; Y158-M160 HydrophobicContact CD1-CE 3.8Å; Y158-M160 HydrophobicContact CE1-CE 3.3Å
159	T	95.6	Very high	96.1	Very high	25 Å²	25	41.5 Å²	41.5	15%	0.153	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.8	179.3	-57.7	0	0	0	0	109.3	F94 F95 R96 K146 L147	F94-T159 HydrophobicContact CB-CG2 4.47Å; F95-T159 WeakPolarHBondContact O-CA 3.31Å; R96-T159 HydrophobicContact CG-CG2 3.78Å; K146-T159 CarbonylContact C-O 3.5Å; K146-T159 VanDerWaalsContact CA-O 3.31Å; K146-T159 WeakPolarHBondContact CA-O 3.5Å; L147-T159 PolarHBondContact N-O 2.84Å; L147-T159 PolarHBondContact O-N 2.88Å
160	M	94.8	Very high	96	Very high	26 Å²	26	37.2 Å²	37.2	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.6	175.5	63.1	-177.1	92.2	0	0	111.5	F94 F95 N145 K146 Y158 L162	F94-M160 WeakPolarHBondContact CA-O 3.14Å; F95-M160 HydrophobicContact CB-CG 3.98Å; F95-M160 HydrophobicContact CD1-CE 4.22Å; F95-M160 HydrophobicContact CD1-CG 4.36Å; F95-M160 HydrophobicContact CD1-SD 4.35Å; F95-M160 PolarHBondContact N-O 3.27Å; F95-M160 PolarHBondContact O-N 2.82Å; N145-M160 WeakPolarHBondContact O-CA 3.24Å; K146-M160 HydrophobicContact CG-CB 4.12Å; Y158-M160 HydrophobicContact CD1-CE 3.8Å; Y158-M160 HydrophobicContact CE1-CE 3.3Å; M160-L162 HydrophobicContact CB-CD2 4.5Å; M160-L162 HydrophobicContact CG-CD1 4.13Å; M160-L162 HydrophobicContact CG-CD2 4.04Å; M160-L162 HydrophobicContact CG-CG 3.9Å; M160-L162 HydrophobicContact SD-CD1 3.87Å; M160-L162 HydrophobicContact SD-CD2 3.84Å; M160-L162 HydrophobicContact SD-CG 4.06Å
161	R	96.1	Very high	95.8	Very high	86 Å²	86	42.4 Å²	42.4	33%	0.325	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.6	170.4	-171.2	-175.3	171.2	-170.6	-3.9	110.1	V93 F94 H139 N145	V93-R161 WeakPolarHBondContact O-CA 3.3Å; F94-R161 HydrophobicContact CD1-CB 3.88Å; F94-R161 HydrophobicContact CD1-CG 4.12Å; F94-R161 HydrophobicContact CE1-CB 3.78Å; F94-R161 HydrophobicContact CE1-CG 3.86Å; H139-R161 PolarHBondContact N-O 2.9Å; H139-R161 VanDerWaalsContact N-O 3.17Å; N145-R161 HydrophobicContact CB-CB 3.82Å; N145-R161 PolarHBondContact O-N 3.36Å
162	L	96.8	Very high	95.6	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.073	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.9	-179.3	-55.5	-179.9	0	0	0	111.1	D92 V93 F95 F130 V137 A138 M160 V164	D92-L162 WeakPolarHBondContact CA-O 3.37Å; V93-L162 HydrophobicContact CG2-CB 3.99Å; V93-L162 PolarHBondContact N-O 3.15Å; V93-L162 PolarHBondContact O-N 3.33Å; F95-L162 HydrophobicContact CB-CD1 4.09Å; F130-L162 HydrophobicContact CE2-CD1 3.75Å; F130-L162 HydrophobicContact CZ-CD1 4.1Å; V137-L162 WeakPolarHBondContact O-CA 3.44Å; A138-L162 HydrophobicContact CB-CD2 3.74Å; M160-L162 HydrophobicContact CB-CD2 4.5Å; M160-L162 HydrophobicContact CG-CD1 4.13Å; M160-L162 HydrophobicContact CG-CD2 4.04Å; M160-L162 HydrophobicContact CG-CG 3.9Å; M160-L162 HydrophobicContact SD-CD1 3.87Å; M160-L162 HydrophobicContact SD-CD2 3.84Å; M160-L162 HydrophobicContact SD-CG 4.06Å; L162-V164 HydrophobicContact CB-CG2 4.2Å
163	T	97.3	Very high	95.6	Very high	24 Å²	24	41.5 Å²	41.5	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.4	155	-61.8	0	0	0	0	107.6	T90 I91 D92 S136 V137 H139	T90-T163 HydrophobicContact CG2-CG2 3.5Å; T90-T163 VanDerWaalsContact CG2-CG2 3.5Å; I91-T163 CarbonylContact O-C 3.53Å; I91-T163 WeakPolarHBondContact O-CA 3.47Å; D92-T163 WeakPolarHBondContact OD1-CB 3.3Å; D92-T163 WeakPolarHBondContact OD1-CG2 3.44Å; D92-T163 PolarHBondContact OD1-OG1 2.84Å; S136-T163 CarbonylContact C-O 3.59Å; S136-T163 WeakPolarHBondContact CA-O 3.31Å; V137-T163 PolarHBondContact N-O 2.91Å; V137-T163 PolarHBondContact O-N 3.39Å; H139-T163 PolarHBondContact CE1-OG1 3.36Å; H139-T163 PolarHBondContact NE2-OG1 2.87Å
164	V	97.7	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125	180	-179.1	0	0	0	0	108.4	T90 I91 F130 L162 A166 L184	T90-V164 CarbonylContact C-O 3.43Å; T90-V164 WeakPolarHBondContact CA-O 3.09Å; I91-V164 HydrophobicContact CG2-CB 3.92Å; I91-V164 PolarHBondContact N-O 3.12Å; I91-V164 PolarHBondContact O-N 3.27Å; F130-V164 HydrophobicContact CD1-CG1 4.43Å; F130-V164 HydrophobicContact CD2-CG1 4.24Å; F130-V164 HydrophobicContact CD2-CG2 3.98Å; F130-V164 HydrophobicContact CE1-CG2 4.37Å; F130-V164 HydrophobicContact CE2-CG2 3.62Å; F130-V164 HydrophobicContact CG-CG1 4.14Å; F130-V164 HydrophobicContact CZ-CG2 3.84Å; L162-V164 HydrophobicContact CB-CG2 4.2Å; V164-A166 HydrophobicContact CG1-CB 4.14Å; V164-L184 HydrophobicContact CG1-CD1 4.07Å
165	R	97.7	Very high	95.5	Very high	97 Å²	97	38.3 Å²	38.3	37%	0.366	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	107.8	161.8	-71.3	173	57	-174.1	-7.8	108	E88 Y89 T90 K134 K135	E88-R165 IonicContact OE1-CZ 3.04Å; E88-R165 IonicContact OE1-NE 3.9Å; E88-R165 PolarHBondContact OE1-NE 3.45Å; E88-R165 IonicContact OE1-NH2 3.55Å; E88-R165 PolarHBondContact OE1-NH2 2.99Å; E88-R165 IonicContact OE2-CZ 2.87Å; E88-R165 IonicContact OE2-NE 3.8Å; E88-R165 PolarHBondContact OE2-NE 3.32Å; E88-R165 IonicContact OE2-NH2 2.81Å; E88-R165 PolarHBondContact OE2-NH2 3.12Å; Y89-R165 WeakPolarHBondContact O-CA 2.81Å; T90-R165 HydrophobicContact CG2-CG 4.34Å; K134-R165 PolarHBondContact N-O 3.23Å; K135-R165 PolarHBondContact N-O 2.87Å; K135-R165 WeakPolarHBondContact O-CB 3.36Å; K135-R165 PolarHBondContact O-N 3.14Å
166	A	97.3	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.7	-175.9	0	0	0	0	0	110.7	E88 Y89 N132 V164 L184	E88-A166 CarbonylContact C-O 3.19Å; E88-A166 VanDerWaalsContact CA-O 3.22Å; E88-A166 WeakPolarHBondContact CA-O 3.49Å; E88-A166 VanDerWaalsContact CB-O 3.26Å; E88-A166 WeakPolarHBondContact CB-O 3.38Å; Y89-A166 HydrophobicContact CD1-CB 4.22Å; Y89-A166 VanDerWaalsContact CD1-O 3.28Å; Y89-A166 WeakPolarHBondContact CD1-O 3.39Å; Y89-A166 HydrophobicContact CE1-CB 3.56Å; Y89-A166 PolarHBondContact N-O 2.91Å; Y89-A166 PolarHBondContact O-N 2.89Å; N132-A166 CarbonylContact O-C 3.55Å; N132-A166 WeakPolarHBondContact O-CA 3.47Å; V164-A166 HydrophobicContact CG1-CB 4.14Å; A166-L184 HydrophobicContact CB-CD1 4.12Å
167	E	97	Very high	95.2	Very high	86 Å²	86	37.5 Å²	37.5	40%	0.402	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.8	174.6	-168.1	171.6	147.6	0	0	110.8	M87 N132 K134	M87-E167 WeakPolarHBondContact O-CG 3.34Å; N132-E167 HydrophobicContact CB-CB 4.31Å; N132-E167 PolarHBondContact ND2-O 3.17Å; N132-E167 PolarHBondContact O-N 3.02Å; K134-E167 VanDerWaalsContact CE-OE2 3.24Å; K134-E167 WeakPolarHBondContact CE-OE2 3.23Å; K134-E167 HydrophobicContact CG-CB 4.48Å
168	C	96.6	Very high	95.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	17%	0.167	C	C	.	.			trans	-126.2	100.5	172.3	178.1	0	0	0	0	108.3	M87 Y89 M170 C182	M87-C168 CarbonylContact C-O 3.46Å; M87-C168 PolarHBondContact O-N 2.76Å; Y89-C168 HydrophobicContact CD1-CB 3.74Å; Y89-C168 HydrophobicContact CE1-CB 4.14Å; C168-M170 HydrophobicContact CB-CE 4.15Å; C168-M170 PolarHBondContact O-N 3.33Å; C168-C182 HydrophobicContact CB-CB 3.67Å; C168-C182 WeakPolarHBondContact CB-SG 3.19Å; C168-C182 WeakPolarHBondContact SG-CA 3.38Å; C168-C182 WeakPolarHBondContact SG-CB 3.31Å; C168-C182 CovalentContact SG-SG 2.04Å; C168-C182 PolarHBondContact SG-SG 3.44Å
169	P	93.6	Very high	94.9	Very high	75 Å²	75	35.4 Å²	35.4	49%	0.487	17%	0.174	S	C	.	.			trans	-66.4	125.4	175.3	27.2	-33	0	0	0	109.5
170	M	92.5	Very high	94.9	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.03	17%	0.169	C	C	.	.			trans	-116	137.2	-176	-64.5	177.3	-157.3	0	0	111.4	V82 C168 L172	V82-M170 HydrophobicContact CG1-CE 3.42Å; V82-M170 VanDerWaalsContact CG1-CE 3.42Å; C168-M170 HydrophobicContact CB-CE 4.15Å; C168-M170 PolarHBondContact O-N 3.33Å; M170-L172 HydrophobicContact CB-CD2 3.94Å; M170-L172 HydrophobicContact CB-CG 4.23Å; M170-L172 HydrophobicContact SD-CD2 4.49Å
171	H	92	Very high	94.9	Very high	110 Å²	110	34.2 Å²	34.2	51%	0.509	17%	0.169	S	C	.	.			trans	-105.6	94.6	174.2	-68.4	-81.5	0	0	0	109	E173	H171-E173 PolarHBondContact O-N 2.88Å
172	L	93.4	Very high	94.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-84.9	18.8	-169.7	-58.2	176.8	0	0	0	113.4	M170 D174 F175 D178 P307 V309 Y311 T313	M170-L172 HydrophobicContact CB-CD2 3.94Å; M170-L172 HydrophobicContact CB-CG 4.23Å; M170-L172 HydrophobicContact SD-CD2 4.49Å; L172-D174 PolarHBondContact O-N 3.38Å; L172-F175 HydrophobicContact CB-CB 4.2Å; L172-F175 HydrophobicContact CD2-CD2 4.32Å; L172-F175 VanDerWaalsContact O-CB 3.22Å; L172-F175 WeakPolarHBondContact O-CB 3.46Å; L172-F175 PolarHBondContact O-N 2.96Å; L172-F175 VanDerWaalsContact O-N 3.1Å; L172-D178 WeakPolarHBondContact CD2-OD2 3.46Å; L172-P307 HydrophobicContact CD1-CG 3.33Å; L172-V309 HydrophobicContact CD1-CG1 4.1Å; L172-Y311 HydrophobicContact CB-CE2 4.22Å; L172-Y311 PolarHBondContact N-OH 3.07Å; L172-T313 WeakPolarHBondContact O-CB 3.46Å; L172-T313 VanDerWaalsContact O-CG2 3.23Å; L172-T313 WeakPolarHBondContact O-CG2 3.45Å
173	E	92.7	Very high	94.9	Very high	102 Å²	102	30.1 Å²	30.1	48%	0.477	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-54.3	-41.6	179.4	-66.2	178.6	-168.9	0	0	111.7	H171 Y311 T313 A314	H171-E173 PolarHBondContact O-N 2.88Å; E173-Y311 HydrophobicContact CG-CD2 4.2Å; E173-Y311 HydrophobicContact CG-CE2 4.14Å; E173-T313 CarbonylContact O-C 3.42Å; E173-T313 WeakPolarHBondContact O-CA 3.47Å; E173-A314 PolarHBondContact O-N 3.18Å
174	D	93.8	Very high	94.9	Very high	34 Å²	34	29 Å²	29	18%	0.182	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-93.4	9.5	-178.4	-66.4	-51.8	0	0	0	113.8	L172 M177 Y448 K451	L172-D174 PolarHBondContact O-N 3.38Å; D174-M177 CarbonylContact O-C 3.57Å; D174-M177 WeakPolarHBondContact O-CA 3.49Å; D174-M177 PolarHBondContact O-N 3.33Å; D174-Y448 WeakPolarHBondContact OD1-CD1 3.33Å; D174-Y448 WeakPolarHBondContact OD1-CE1 3.34Å; D174-K451 VanDerWaalsContact OD1-CD 3.28Å; D174-K451 WeakPolarHBondContact OD1-CD 3.49Å; D174-K451 IonicContact OD1-NZ 3.27Å; D174-K451 PolarHBondContact OD1-NZ 2.71Å; D174-K451 WeakPolarHBondContact OD2-CD 3.32Å; D174-K451 WeakPolarHBondContact OD2-CE 3.47Å; D174-K451 IonicContact OD2-NZ 3.55Å; D174-K451 PolarHBondContact OD2-NZ 2.86Å
175	F	94.1	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	130.4	-177.4	178.8	-81.4	0	0	0	111.9	L172 R250 F255 L306 T313 M315	L172-F175 HydrophobicContact CB-CB 4.2Å; L172-F175 HydrophobicContact CD2-CD2 4.32Å; L172-F175 VanDerWaalsContact O-CB 3.22Å; L172-F175 WeakPolarHBondContact O-CB 3.46Å; L172-F175 PolarHBondContact O-N 2.96Å; L172-F175 VanDerWaalsContact O-N 3.1Å; F175-R250 VanDerWaalsContact CE2-CZ 3.42Å; F175-F255 HydrophobicContact CE1-CD1 4.31Å; F175-F255 AromaticContact CE1-CE1 3.95Å; F175-F255 HydrophobicContact CE1-CE1 3.95Å; F175-F255 HydrophobicContact CE1-CZ 4.22Å; F175-F255 HydrophobicContact CE2-CZ 4.16Å; F175-F255 HydrophobicContact CZ-CD1 4.32Å; F175-F255 AromaticContact CZ-CE1 3.54Å; F175-F255 HydrophobicContact CZ-CE1 3.54Å; F175-F255 HydrophobicContact CZ-CE2 4.22Å; F175-F255 AromaticContact CZ-CZ 3.48Å; F175-F255 HydrophobicContact CZ-CZ 3.48Å; F175-F255 VanDerWaalsContact CZ-CZ 3.48Å; F175-L306 HydrophobicContact CD1-CD1 4.38Å; F175-L306 HydrophobicContact CD1-CD2 3.55Å; F175-L306 HydrophobicContact CD1-CG 4.11Å; F175-L306 HydrophobicContact CD2-CD2 4.44Å; F175-L306 HydrophobicContact CE1-CD1 3.62Å; F175-L306 HydrophobicContact CE1-CD2 3.59Å; F175-L306 HydrophobicContact CE1-CG 3.61Å; F175-L306 HydrophobicContact CE2-CD2 4.45Å; F175-L306 HydrophobicContact CE2-CG 4.25Å; F175-L306 HydrophobicContact CG-CD2 4Å; F175-L306 HydrophobicContact CZ-CD1 3.93Å; F175-L306 HydrophobicContact CZ-CD2 4.05Å; F175-L306 HydrophobicContact CZ-CG 3.68Å; F175-T313 HydrophobicContact CB-CG2 4.3Å; F175-M315 HydrophobicContact CD1-CB 4.29Å; F175-M315 HydrophobicContact CD1-CE 4Å; F175-M315 HydrophobicContact CD1-SD 4.46Å; F175-M315 HydrophobicContact CE1-CE 3.55Å; F175-M315 HydrophobicContact CE1-SD 4.04Å; F175-M315 PolarHBondContact O-N 3.5Å; F175-M315 VanDerWaalsContact O-N 3.08Å
176	P	94.4	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	cis	-103.8	26.2	8.8	38.8	-30.8	0	0	0	114.1	D178 I252 F255 Y260 M315	P176-D178 VanDerWaalsContact C-N 3.33Å; P176-D178 WeakPolarHBondContact CA-OD1 3.41Å; P176-I252 HydrophobicContact CG-CG1 4.12Å; P176-F255 HydrophobicContact CB-CB 4.33Å; P176-F255 HydrophobicContact CB-CD2 3.43Å; P176-F255 VanDerWaalsContact CB-CD2 3.43Å; P176-F255 HydrophobicContact CB-CE2 3.81Å; P176-F255 HydrophobicContact CB-CG 3.84Å; P176-F255 HydrophobicContact CB-CZ 4.48Å; P176-F255 HydrophobicContact CG-CB 3.81Å; P176-F255 HydrophobicContact CG-CD2 3.88Å; P176-F255 HydrophobicContact CG-CG 3.87Å; P176-Y260 WeakPolarHBondContact CD-OH 3.39Å; P176-Y260 HydrophobicContact CG-CE2 4.03Å; P176-M315 HydrophobicContact CB-CE 4.37Å; P176-M315 HydrophobicContact CG-CE 3.74Å
177	M	94.1	Very high	94.9	Very high	31 Å²	31	28.3 Å²	28.3	15%	0.153	15%	0.147	C	C	.	.	S	Bend	trans	-101.4	24.2	177.4	-69.5	162.6	-76.2	0	0	111.6	D174 I252 A314 Y444 W445 Y448 L449	D174-M177 CarbonylContact O-C 3.57Å; D174-M177 WeakPolarHBondContact O-CA 3.49Å; D174-M177 PolarHBondContact O-N 3.33Å; M177-I252 HydrophobicContact CG-CD1 3.46Å; M177-I252 VanDerWaalsContact CG-CD1 3.46Å; M177-I252 HydrophobicContact CG-CG1 4.22Å; M177-I252 HydrophobicContact SD-CD1 3.87Å; M177-A314 HydrophobicContact CE-CB 4.24Å; M177-Y444 HydrophobicContact CE-CE1 3.94Å; M177-W445 HydrophobicContact CE-CZ3 4.45Å; M177-W445 HydrophobicContact SD-CE3 4.14Å; M177-W445 HydrophobicContact SD-CZ3 3.9Å; M177-Y448 VanDerWaalsContact CE-CB 3.47Å; M177-Y448 HydrophobicContact CE-CD2 4.42Å; M177-Y448 HydrophobicContact CE-CG 3.99Å; M177-Y448 WeakPolarHBondContact SD-CB 3.34Å; M177-L449 HydrophobicContact CG-CD2 4.09Å; M177-L449 HydrophobicContact SD-CD2 3.72Å; M177-L449 HydrophobicContact SD-CG 4.21Å
178	D	93.4	Very high	94.9	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.027	13%	0.129	C	C	.	.			trans	-82.9	156.4	-176.4	51	-27.6	0	0	0	113.5	L172 P176 H180 R250	L172-D178 WeakPolarHBondContact CD2-OD2 3.46Å; P176-D178 VanDerWaalsContact C-N 3.33Å; P176-D178 WeakPolarHBondContact CA-OD1 3.41Å; D178-H180 IonicContact OD2-CE1 3.42Å; D178-H180 PolarHBondContact OD2-CE1 3.15Å; D178-H180 IonicContact OD2-NE2 2.75Å; D178-R250 VanDerWaalsContact CG-NE 3.3Å; D178-R250 PolarHBondContact O-N 3.42Å; D178-R250 WeakPolarHBondContact OD1-CB 3.45Å; D178-R250 VanDerWaalsContact OD1-CD 3.25Å; D178-R250 WeakPolarHBondContact OD1-CD 3.35Å; D178-R250 IonicContact OD1-CZ 2.84Å; D178-R250 IonicContact OD1-NE 2.78Å; D178-R250 PolarHBondContact OD1-NE 3.25Å; D178-R250 IonicContact OD1-NH2 3.13Å; D178-R250 IonicContact OD2-CZ 3.7Å; D178-R250 IonicContact OD2-NE 3.5Å; D178-R250 PolarHBondContact OD2-NE 2.98Å; D178-R250 VanDerWaalsContact OD2-NE 3.07Å; D178-R250 IonicContact OD2-NH2 2.71Å; D178-R250 PolarHBondContact OD2-NH2 2.76Å
179	A	93	Very high	94.9	Very high	22 Å²	22	32.3 Å²	32.3	18%	0.182	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.5	168.9	0	0	0	0	0	110.1	L248 K249 P453 L455	A179-L248 CarbonylContact C-O 3.59Å; A179-L248 WeakPolarHBondContact CA-O 3.43Å; A179-L248 WeakPolarHBondContact CB-O 3.48Å; A179-K249 HydrophobicContact CB-CB 4.28Å; A179-K249 HydrophobicContact CB-CG 4.31Å; A179-P453 HydrophobicContact CB-CB 3.66Å; A179-L455 HydrophobicContact CB-CD2 4.46Å
180	H	94.1	Very high	95	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.051	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.1	-169.1	-55.3	126.3	0	0	0	111	D178 Y220 H247 L248	D178-H180 IonicContact OD2-CE1 3.42Å; D178-H180 PolarHBondContact OD2-CE1 3.15Å; D178-H180 IonicContact OD2-NE2 2.75Å; H180-Y220 AromaticContact ND1-CE1 3.84Å; H180-H247 WeakPolarHBondContact O-CA 3.24Å; H180-L248 PolarHBondContact N-O 3Å; H180-L248 PolarHBondContact O-N 3.18Å
181	A	95.1	Very high	95.3	Very high	15 Å²	15	33.2 Å²	33.2	12%	0.124	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	87.3	171.4	0	0	0	0	0	108.3	P183 H245 F246 L455	A181-P183 VanDerWaalsContact O-CD 3.3Å; A181-P183 WeakPolarHBondContact O-CD 3.22Å; A181-H245 HydrophobicContact CB-CB 4.28Å; A181-F246 CarbonylContact C-O 3.52Å; A181-L455 HydrophobicContact CB-CB 4.41Å; A181-L455 HydrophobicContact CB-CD2 4.26Å
182	C	96.4	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116.3	-175.7	-70.2	0	0	0	0	110.8	Y89 C168 H245 F246 L248	Y89-C182 HydrophobicContact CD1-CB 3.93Å; Y89-C182 HydrophobicContact CE1-CB 3.74Å; C168-C182 HydrophobicContact CB-CB 3.67Å; C168-C182 WeakPolarHBondContact CB-SG 3.19Å; C168-C182 WeakPolarHBondContact SG-CA 3.38Å; C168-C182 WeakPolarHBondContact SG-CB 3.31Å; C168-C182 CovalentContact SG-SG 2.04Å; C168-C182 PolarHBondContact SG-SG 3.44Å; C182-H245 WeakPolarHBondContact O-CA 3.42Å; C182-F246 PolarHBondContact N-O 2.96Å; C182-F246 PolarHBondContact O-N 2.7Å; C182-L248 HydrophobicContact CB-CD1 4.48Å
183	P	96.8	Very high	95.7	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	149.1	-176.5	32.8	-33.9	0	0	0	111.7	Y89 N132 A181 K185 T244	Y89-P183 VanDerWaalsContact OH-C 3.24Å; Y89-P183 PolarHBondContact OH-O 3.26Å; N132-P183 PolarHBondContact ND2-O 2.54Å; A181-P183 VanDerWaalsContact O-CD 3.3Å; A181-P183 WeakPolarHBondContact O-CD 3.22Å; P183-K185 HydrophobicContact CB-CG 4.26Å; P183-T244 CarbonylContact C-O 3.59Å; P183-T244 WeakPolarHBondContact CA-O 3.28Å
184	L	97.1	Very high	95.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	111.3	160.9	-173.5	65.7	0	0	0	106.4	I74 Y89 F130 V164 A166 T243 T244 F246	I74-L184 HydrophobicContact CD1-CD2 4.4Å; Y89-L184 WeakPolarHBondContact OH-CB 3.44Å; F130-L184 HydrophobicContact CD1-CD1 3.59Å; F130-L184 HydrophobicContact CD1-CG 4.03Å; F130-L184 HydrophobicContact CE1-CD1 3.84Å; F130-L184 HydrophobicContact CE1-CD2 4.16Å; F130-L184 HydrophobicContact CE1-CG 4Å; V164-L184 HydrophobicContact CG1-CD1 4.07Å; A166-L184 HydrophobicContact CB-CD1 4.12Å; L184-T243 WeakPolarHBondContact O-CA 3.36Å; L184-T244 PolarHBondContact N-O 3.04Å; L184-T244 PolarHBondContact O-N 3.48Å; L184-F246 HydrophobicContact CB-CE2 4.07Å; L184-F246 HydrophobicContact CD2-CE2 4.31Å
185	K	96.9	Very high	96	Very high	81 Å²	81	35 Å²	35	35%	0.352	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.5	-175.6	-64.9	-177.5	179.8	-177.3	0	109.8	F130 H131 N132 P183 V241 M242 T243	F130-K185 CarbonylContact C-O 3.56Å; F130-K185 VanDerWaalsContact CA-O 3.22Å; F130-K185 WeakPolarHBondContact CA-O 3.32Å; H131-K185 HydrophobicContact CB-CB 4.05Å; H131-K185 PolarHBondContact N-O 2.94Å; N132-K185 PolarHBondContact OD1-N 2.73Å; P183-K185 HydrophobicContact CB-CG 4.26Å; K185-V241 HydrophobicContact CB-CG1 4.1Å; K185-M242 WeakPolarHBondContact CA-O 3.24Å; K185-T243 HydrophobicContact CG-CG2 3.98Å
186	F	97.8	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.9	176.5	66	-87.7	0	0	0	112.8	T72 I74 F95 T128 F129 F130 Y198 W200 M242	T72-F186 HydrophobicContact CG2-CE2 4.03Å; I74-F186 HydrophobicContact CD1-CD1 4.35Å; I74-F186 HydrophobicContact CD1-CE1 3.6Å; I74-F186 HydrophobicContact CD1-CZ 4.12Å; F95-F186 HydrophobicContact CE2-CD1 4.36Å; F95-F186 HydrophobicContact CE2-CD2 4.03Å; F95-F186 HydrophobicContact CE2-CE1 4.22Å; F95-F186 AromaticContact CE2-CE2 3.87Å; F95-F186 HydrophobicContact CE2-CE2 3.87Å; F95-F186 HydrophobicContact CE2-CG 4.27Å; F95-F186 AromaticContact CE2-CZ 3.96Å; F95-F186 HydrophobicContact CE2-CZ 3.96Å; F95-F186 AromaticContact CZ-CD2 3.74Å; F95-F186 HydrophobicContact CZ-CD2 3.74Å; F95-F186 AromaticContact CZ-CE2 3.76Å; F95-F186 HydrophobicContact CZ-CE2 3.76Å; F95-F186 HydrophobicContact CZ-CG 4.29Å; F95-F186 HydrophobicContact CZ-CZ 4.32Å; T128-F186 HydrophobicContact CG2-CB 4.21Å; T128-F186 HydrophobicContact CG2-CD2 3.78Å; T128-F186 HydrophobicContact CG2-CG 4.43Å; F129-F186 WeakPolarHBondContact O-CA 3.39Å; F129-F186 VanDerWaalsContact O-CB 3.31Å; F129-F186 WeakPolarHBondContact O-CB 3.43Å; F130-F186 HydrophobicContact CD1-CB 3.83Å; F130-F186 HydrophobicContact CE1-CB 4Å; F130-F186 HydrophobicContact CE1-CD1 4.35Å; F130-F186 HydrophobicContact CE1-CG 4.44Å; F186-Y198 HydrophobicContact CE2-CD1 4.46Å; F186-W200 AromaticContact CE1-CH2 3.74Å; F186-W200 HydrophobicContact CE1-CH2 3.74Å; F186-W200 HydrophobicContact CE1-CZ2 4.41Å; F186-W200 HydrophobicContact CE1-CZ3 4.43Å; F186-W200 AromaticContact CZ-CH2 3.64Å; F186-W200 HydrophobicContact CZ-CH2 3.64Å; F186-W200 HydrophobicContact CZ-CZ2 4.3Å; F186-W200 AromaticContact CZ-CZ3 4Å; F186-W200 HydrophobicContact CZ-CZ3 4Å; F186-M242 HydrophobicContact CD1-CB 4.06Å; F186-M242 HydrophobicContact CD2-CB 3.97Å; F186-M242 HydrophobicContact CD2-CG 4.23Å; F186-M242 HydrophobicContact CE1-CB 3.58Å; F186-M242 HydrophobicContact CE2-CB 3.49Å; F186-M242 VanDerWaalsContact CE2-CB 3.49Å; F186-M242 HydrophobicContact CE2-CG 3.61Å; F186-M242 HydrophobicContact CG-CB 4.24Å; F186-M242 HydrophobicContact CZ-CB 3.29Å; F186-M242 HydrophobicContact CZ-CG 3.82Å; F186-M242 PolarHBondContact N-O 3.32Å; F186-M242 PolarHBondContact O-N 2.99Å
187	G	97.4	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-177.4	-177.7	0	0	0	0	0	111.4	T128 F129	T128-G187 VanDerWaalsContact CA-O 3.32Å; T128-G187 WeakPolarHBondContact CA-O 3.44Å; F129-G187 WeakPolarHBondContact CD1-O 3.41Å; F129-G187 PolarHBondContact N-O 2.96Å; F129-G187 PolarHBondContact O-N 3.02Å; F129-G187 VanDerWaalsContact O-N 3.17Å
188	S	97.9	Very high	96.5	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	146	169.1	175	0	0	0	0	109.6	D127 F129 Y191	D127-S188 VanDerWaalsContact CG-OG 3.28Å; D127-S188 WeakPolarHBondContact OD1-CB 2.98Å; D127-S188 PolarHBondContact OD1-OG 2.85Å; D127-S188 PolarHBondContact OD2-OG 3.03Å; F129-S188 WeakPolarHBondContact CE1-O 2.82Å; S188-Y191 WeakPolarHBondContact CB-O 3.13Å; S188-Y191 WeakPolarHBondContact OG-CB 3.5Å; S188-Y191 PolarHBondContact OG-N 2.87Å; S188-Y191 PolarHBondContact OG-O 2.81Å
189	Y	96.6	Very high	96.6	Very high	167 Å²	167	38.2 Å²	38.2	66%	0.655	20%	0.203	S	C	*	.	S	Bend	trans	-84.7	-47.4	178	-178.2	-96.3	0	0	0	112.2	D127 F129	D127-Y189 PolarHBondContact O-N 3.17Å; D127-Y189 WeakPolarHBondContact OD2-CB 3.26Å; D127-Y189 PolarHBondContact OD2-N 3.37Å; D127-Y189 VanDerWaalsContact OD2-N 3.15Å; F129-Y189 HydrophobicContact CD1-CD2 4.1Å; F129-Y189 HydrophobicContact CD1-CG 4.41Å; F129-Y189 HydrophobicContact CD2-CD2 4.42Å; F129-Y189 AromaticContact CE1-CD2 4Å; F129-Y189 HydrophobicContact CE1-CD2 4Å; F129-Y189 HydrophobicContact CE1-CG 4.49Å; F129-Y189 HydrophobicContact CE2-CD2 4.31Å; F129-Y189 HydrophobicContact CG-CD2 4.31Å; F129-Y189 HydrophobicContact CZ-CD2 4.09Å
190	A	96.6	Very high	96.7	Very high	57 Å²	57	38.2 Å²	38.2	47%	0.471	20%	0.198	S	C	.	.	S	Bend	trans	-98	-44.1	-176.5	0	0	0	0	0	112.8	D127 Y239	D127-A190 WeakPolarHBondContact OD2-CB 3.44Å; D127-A190 PolarHBondContact OD2-N 2.98Å; A190-Y239 PolarHBondContact O-OH 3.46Å
191	Y	97.4	Very high	96.6	Very high	44 Å²	44	40.4 Å²	40.4	17%	0.173	21%	0.212	C	C	.	.			trans	-79.9	125.5	-170.8	-57.6	-68.7	0	0	0	112.4	R60 W124 D127 S188 E195 V196 Y239	R60-Y191 HydrophobicContact CB-CE1 4.28Å; R60-Y191 HydrophobicContact CG-CE1 4.41Å; W124-Y191 HydrophobicContact CZ2-CD2 4.28Å; W124-Y191 AromaticContact CZ2-CE2 3.67Å; W124-Y191 HydrophobicContact CZ2-CE2 3.67Å; W124-Y191 AromaticContact NE1-CE2 3.87Å; W124-Y191 AromaticContact NE1-CZ 3.71Å; W124-Y191 PolarHBondContact NE1-OH 2.87Å; D127-Y191 WeakPolarHBondContact OD1-CD2 3.37Å; S188-Y191 WeakPolarHBondContact CB-O 3.13Å; S188-Y191 WeakPolarHBondContact OG-CB 3.5Å; S188-Y191 PolarHBondContact OG-N 2.87Å; S188-Y191 PolarHBondContact OG-O 2.81Å; Y191-E195 HydrophobicContact CD1-CB 4.25Å; Y191-V196 VanDerWaalsContact CB-CG2 3.45Å; Y191-V196 HydrophobicContact CD1-CG2 4.42Å; Y191-V196 HydrophobicContact CD2-CG2 3.78Å; Y191-V196 HydrophobicContact CG-CB 4.5Å; Y191-V196 HydrophobicContact CG-CG2 3.64Å; Y191-Y239 VanDerWaalsContact O-CD1 3.23Å; Y191-Y239 WeakPolarHBondContact O-CD1 3.31Å; Y191-Y239 WeakPolarHBondContact O-CE1 3.24Å
192	T	97.3	Very high	96.1	Very high	32 Å²	32	45.9 Å²	45.9	20%	0.196	23%	0.23	C	C	.	.			trans	-74.2	170.1	177.4	62.3	0	0	0	0	111.9	A194 E195 V196 E238 Y239	T192-A194 PolarHBondContact O-N 2.94Å; T192-A194 VanDerWaalsContact O-N 3.1Å; T192-E195 PolarHBondContact N-OE2 2.85Å; T192-E195 WeakPolarHBondContact O-CB 3.46Å; T192-E195 PolarHBondContact O-N 2.86Å; T192-E195 PolarHBondContact OG1-OE2 2.87Å; T192-V196 PolarHBondContact O-N 3.05Å; T192-E238 CarbonylContact C-O 3.52Å; T192-E238 WeakPolarHBondContact CA-O 3.35Å; T192-E238 WeakPolarHBondContact CB-O 3.49Å; T192-Y239 HydrophobicContact CG2-CE1 4.37Å
193	R	96.6	Very high	95.5	Very high	123 Å²	123	47.8 Å²	47.8	46%	0.464	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.8	173.8	179.2	179.9	174.8	-151.8	-0.8	114	E195 V197 E238 V240	R193-E195 PolarHBondContact O-N 2.78Å; R193-V197 HydrophobicContact CG-CG2 4.46Å; R193-V197 WeakPolarHBondContact O-CG2 3.35Å; R193-E238 HydrophobicContact CB-CB 4.23Å; R193-E238 WeakPolarHBondContact CD-OE2 3.46Å; R193-E238 IonicContact CZ-OE2 3.11Å; R193-E238 PolarHBondContact N-O 3.4Å; R193-E238 IonicContact NH1-OE2 3.38Å; R193-E238 PolarHBondContact NH1-OE2 3.49Å; R193-V240 HydrophobicContact CB-CG2 4.08Å; R193-V240 HydrophobicContact CG-CG2 3.83Å
194	A	95.9	Very high	94.5	Very high	73 Å²	73	49.1 Å²	49.1	60%	0.603	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.4	175.7	0	0	0	0	0	113.5	T192	T192-A194 PolarHBondContact O-N 2.94Å; T192-A194 VanDerWaalsContact O-N 3.1Å
195	E	96.6	Very high	93.6	Very high	56 Å²	56	52.9 Å²	52.9	26%	0.262	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-45	-172.5	-64.6	172.6	101.2	0	0	112.5	R60 T68 Y191 T192 R193	R60-E195 PolarHBondContact NH1-O 3.08Å; T68-E195 PolarHBondContact N-O 3.19Å; Y191-E195 HydrophobicContact CD1-CB 4.25Å; T192-E195 PolarHBondContact N-OE2 2.85Å; T192-E195 WeakPolarHBondContact O-CB 3.46Å; T192-E195 PolarHBondContact O-N 2.86Å; T192-E195 PolarHBondContact OG1-OE2 2.87Å; R193-E195 PolarHBondContact O-N 2.78Å
196	V	97.8	Very high	93.2	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.5	179.2	176.3	0	0	0	0	109.8	T68 V70 Y191 T192 Y198	T68-V196 WeakPolarHBondContact O-CA 3.25Å; V70-V196 HydrophobicContact CG2-CG1 3.88Å; Y191-V196 VanDerWaalsContact CB-CG2 3.45Å; Y191-V196 HydrophobicContact CD1-CG2 4.42Å; Y191-V196 HydrophobicContact CD2-CG2 3.78Å; Y191-V196 HydrophobicContact CG-CB 4.5Å; Y191-V196 HydrophobicContact CG-CG2 3.64Å; T192-V196 PolarHBondContact O-N 3.05Å; V196-Y198 HydrophobicContact CG1-CD2 4.36Å; V196-Y198 HydrophobicContact CG1-CE2 3.84Å
197	V	97.6	Very high	92.8	Very high	40 Å²	40	55.4 Å²	55.4	24%	0.242	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.1	175.3	169.8	0	0	0	0	109.3	V67 T68 V70 R193 V199 V240	V67-V197 HydrophobicContact CG1-CB 4.13Å; V67-V197 HydrophobicContact CG1-CG2 3.65Å; T68-V197 PolarHBondContact O-N 3.15Å; T68-V197 VanDerWaalsContact O-N 3.13Å; V70-V197 PolarHBondContact N-O 2.85Å; R193-V197 HydrophobicContact CG-CG2 4.46Å; R193-V197 WeakPolarHBondContact O-CG2 3.35Å; V197-V199 HydrophobicContact CG1-CG2 4.05Å; V197-V240 HydrophobicContact CG1-CG2 4.42Å; V197-V240 HydrophobicContact CG2-CG2 4.12Å
198	Y	97.5	Very high	92.6	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	139.1	175	-67.9	-92.3	0	0	0	110.9	V70 T72 T128 F186 V196 M242	V70-Y198 HydrophobicContact CB-CD1 4.02Å; V70-Y198 HydrophobicContact CB-CE1 4.11Å; V70-Y198 HydrophobicContact CG1-CD1 3.98Å; V70-Y198 HydrophobicContact CG1-CE1 3.85Å; V70-Y198 WeakPolarHBondContact O-CA 3.35Å; T72-Y198 HydrophobicContact CG2-CD1 3.8Å; T72-Y198 HydrophobicContact CG2-CE1 4.38Å; T128-Y198 HydrophobicContact CG2-CE1 4.03Å; T128-Y198 WeakPolarHBondContact OG1-CE1 3.4Å; T128-Y198 PolarHBondContact OG1-OH 3.05Å; F186-Y198 HydrophobicContact CE2-CD1 4.46Å; V196-Y198 HydrophobicContact CG1-CD2 4.36Å; V196-Y198 HydrophobicContact CG1-CE2 3.84Å; Y198-M242 VanDerWaalsContact CB-CG 3.47Å; Y198-M242 HydrophobicContact CG-CG 4.22Å
199	V	96.1	Very high	92.4	Very high	53 Å²	53	57.9 Å²	57.9	32%	0.321	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.5	-178.5	-174	0	0	0	0	109.9	E69 V70 K71 T72 V197	E69-V199 HydrophobicContact CG-CG2 3.82Å; V70-V199 PolarHBondContact O-N 2.9Å; K71-V199 CarbonylContact C-O 3.56Å; K71-V199 VanDerWaalsContact CA-O 3.24Å; K71-V199 WeakPolarHBondContact CA-O 3.46Å; T72-V199 PolarHBondContact N-O 2.89Å; T72-V199 PolarHBondContact OG1-O 2.56Å; V197-V199 HydrophobicContact CG1-CG2 4.05Å
200	W	95.3	Very high	92.2	Very high	22 Å²	22	51.3 Å²	51.3	8%	0.083	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.7	175.5	-67.4	116.6	0	0	0	111.9	I74 F186 R202 S207 V208 V227 M242	I74-W200 HydrophobicContact CD1-CH2 4.28Å; I74-W200 HydrophobicContact CD1-CZ3 4.38Å; I74-W200 HydrophobicContact CG1-CZ3 4.29Å; F186-W200 AromaticContact CE1-CH2 3.74Å; F186-W200 HydrophobicContact CE1-CH2 3.74Å; F186-W200 HydrophobicContact CE1-CZ2 4.41Å; F186-W200 HydrophobicContact CE1-CZ3 4.43Å; F186-W200 AromaticContact CZ-CH2 3.64Å; F186-W200 HydrophobicContact CZ-CH2 3.64Å; F186-W200 HydrophobicContact CZ-CZ2 4.3Å; F186-W200 AromaticContact CZ-CZ3 4Å; F186-W200 HydrophobicContact CZ-CZ3 4Å; W200-R202 VanDerWaalsContact C-N 3.34Å; W200-R202 PolarHBondContact O-N 2.93Å; W200-S207 VanDerWaalsContact CE3-CB 3.46Å; W200-V208 HydrophobicContact CH2-CG2 3.78Å; W200-V208 HydrophobicContact CZ3-CG2 3.85Å; W200-V227 HydrophobicContact CD2-CG1 4.03Å; W200-V227 HydrophobicContact CH2-CG1 4.05Å; W200-V227 HydrophobicContact CZ2-CG1 3.27Å; W200-V227 VanDerWaalsContact NE1-CG1 3.32Å; W200-M242 HydrophobicContact CD2-CE 3.62Å; W200-M242 VanDerWaalsContact CE2-CE 3.45Å; W200-M242 HydrophobicContact CE3-CE 4.33Å; W200-M242 HydrophobicContact CG-CE 3.72Å; W200-M242 HydrophobicContact CH2-CB 4.44Å; W200-M242 HydrophobicContact CZ2-CB 3.98Å; W200-M242 HydrophobicContact CZ2-CE 4.07Å
201	T	92.3	Very high	92.1	Very high	57 Å²	57	50 Å²	50	35%	0.35	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-37.8	-175.3	45.1	0	0	0	0	115.2	K71 T72 D73 S207	K71-T201 HydrophobicContact CB-CG2 3.65Å; T72-T201 WeakPolarHBondContact O-CG2 3.22Å; T72-T201 PolarHBondContact O-N 3.17Å; T72-T201 PolarHBondContact O-OG1 3.06Å; D73-T201 HydrophobicContact CB-CG2 4.22Å; D73-T201 WeakPolarHBondContact CB-OG1 3.31Å; T201-S207 PolarHBondContact N-OG 2.77Å; T201-S207 PolarHBondContact OG1-OG 3.36Å
202	R	84.8	Confident	91.6	Very high	130 Å²	130	57.4 Å²	57.4	49%	0.491	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	22.5	-172	-65.5	-179.7	-75.5	-176.7	2.8	112.4	D73 W200 Q206 S207	D73-R202 VanDerWaalsContact CG-NH2 3.32Å; D73-R202 IonicContact OD1-CZ 2.64Å; D73-R202 IonicContact OD1-NE 3.39Å; D73-R202 IonicContact OD1-NH2 3.56Å; D73-R202 PolarHBondContact OD1-NH2 2.85Å; D73-R202 IonicContact OD2-NH2 2.76Å; D73-R202 PolarHBondContact OD2-NH2 3.38Å; W200-R202 VanDerWaalsContact C-N 3.34Å; W200-R202 PolarHBondContact O-N 2.93Å; R202-Q206 HydrophobicContact CB-CB 4.2Å; R202-S207 PolarHBondContact N-OG 3.38Å
203	G	83.8	Confident	91.2	Very high	41 Å²	41	63.7 Å²	63.7	42%	0.423	36%	0.356	S	S	.	.			trans	78.9	161.2	-167.5	0	0	0	0	0	112.5	A205 Q206 S207	G203-A205 PolarHBondContact O-N 3.27Å; G203-Q206 PolarHBondContact O-N 3.1Å; G203-S207 WeakPolarHBondContact O-CB 3.43Å; G203-S207 PolarHBondContact O-N 3.4Å; G203-S207 VanDerWaalsContact O-N 3.13Å; G203-S207 PolarHBondContact O-OG 2.84Å
204	A	75.4	Confident	90.5	Very high	41 Å²	41	57.9 Å²	57.9	34%	0.339	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-57	-53.9	-167.4	0	0	0	0	0	113.2	Q206 V227	A204-Q206 VanDerWaalsContact C-N 3.34Å; A204-Q206 PolarHBondContact O-N 3.39Å; A204-V227 HydrophobicContact CB-CB 4.13Å; A204-V227 HydrophobicContact CB-CG1 3.96Å; A204-V227 WeakPolarHBondContact O-CB 3.32Å; A204-V227 WeakPolarHBondContact O-CG1 3.28Å; A204-V227 WeakPolarHBondContact O-CG2 3.27Å
205	A	78.2	Confident	90.1	Very high	80 Å²	80	57.5 Å²	57.5	66%	0.661	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-68.3	-25.6	-174.7	0	0	0	0	0	114.8	G203	G203-A205 PolarHBondContact O-N 3.27Å
206	Q	87.6	Confident	89.7	Confident	134 Å²	134	61.8 Å²	61.8	63%	0.626	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-101.2	-9.9	-176.3	-63.6	-173.3	-0.4	0	0	114.1	R202 G203 A204 V208	R202-Q206 HydrophobicContact CB-CB 4.2Å; G203-Q206 PolarHBondContact O-N 3.1Å; A204-Q206 VanDerWaalsContact C-N 3.34Å; A204-Q206 PolarHBondContact O-N 3.39Å; Q206-V208 VanDerWaalsContact C-N 3.35Å
207	S	90.3	Very high	89.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-87.8	-2.7	178.8	-55.2	0	0	0	0	113.8	I74 W200 T201 R202 G203	I74-S207 PolarHBondContact N-O 3.33Å; W200-S207 VanDerWaalsContact CE3-CB 3.46Å; T201-S207 PolarHBondContact N-OG 2.77Å; T201-S207 PolarHBondContact OG1-OG 3.36Å; R202-S207 PolarHBondContact N-OG 3.38Å; G203-S207 WeakPolarHBondContact O-CB 3.43Å; G203-S207 PolarHBondContact O-N 3.4Å; G203-S207 VanDerWaalsContact O-N 3.13Å; G203-S207 PolarHBondContact O-OG 2.84Å
208	V	93.3	Very high	89.1	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.006	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	104.3	168.5	-175.9	0	0	0	0	108.7	I74 V76 W200 Q206 Q225 V227 T244 F246	I74-V208 HydrophobicContact CB-CG2 4.35Å; I74-V208 WeakPolarHBondContact O-CA 3.43Å; V76-V208 HydrophobicContact CG2-CG1 4.45Å; W200-V208 HydrophobicContact CH2-CG2 3.78Å; W200-V208 HydrophobicContact CZ3-CG2 3.85Å; Q206-V208 VanDerWaalsContact C-N 3.35Å; V208-Q225 HydrophobicContact CG1-CG 4.29Å; V208-Q225 PolarHBondContact O-NE2 3.2Å; V208-V227 HydrophobicContact CB-CG2 3.94Å; V208-V227 HydrophobicContact CG2-CG1 4.35Å; V208-V227 HydrophobicContact CG2-CG2 3.66Å; V208-T244 HydrophobicContact CB-CG2 4.47Å; V208-T244 HydrophobicContact CG1-CG2 3.92Å; V208-T244 HydrophobicContact CG2-CG2 4.17Å; V208-F246 HydrophobicContact CG1-CE1 4.4Å; V208-F246 HydrophobicContact CG1-CZ 4.35Å
209	V	93.4	Very high	88.8	Confident	55 Å²	55	71.7 Å²	71.7	33%	0.333	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.9	-180	-179.2	0	0	0	0	109.2	I74 F75 V76	I74-V209 PolarHBondContact O-N 2.91Å; F75-V209 CarbonylContact C-O 3.59Å; F75-V209 WeakPolarHBondContact CA-O 3.46Å; F75-V209 HydrophobicContact CD2-CB 4.13Å; F75-V209 HydrophobicContact CD2-CG1 4.12Å; F75-V209 HydrophobicContact CE2-CG1 4.08Å; V76-V209 PolarHBondContact N-O 3.15Å
210	V	93.6	Very high	88.7	Confident	30 Å²	30	69.3 Å²	69.3	18%	0.182	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.6	172.6	-171.1	0	0	0	0	108.6	V76 L222 F246	V76-V210 HydrophobicContact CB-CB 4.37Å; V76-V210 HydrophobicContact CB-CG1 4.24Å; V76-V210 HydrophobicContact CB-CG2 4.12Å; V76-V210 HydrophobicContact CG1-CG1 4.24Å; V76-V210 HydrophobicContact CG2-CG2 4.22Å; V210-L222 HydrophobicContact CG1-CD2 4.06Å; V210-L222 HydrophobicContact CG2-CD2 4.3Å; V210-F246 HydrophobicContact CG2-CE1 4.3Å
211	A	92.8	Very high	88.7	Confident	28 Å²	28	71.6 Å²	71.6	23%	0.231	39%	0.389	C	S	.	.			trans	-61.5	143.8	172.9	0	0	0	0	0	110.9	F75 V76 D213 G214	F75-A211 HydrophobicContact CE1-CB 4.16Å; F75-A211 HydrophobicContact CZ-CB 3.89Å; V76-A211 PolarHBondContact O-N 2.99Å; A211-D213 PolarHBondContact O-N 2.84Å; A211-G214 VanDerWaalsContact O-CA 3.31Å; A211-G214 WeakPolarHBondContact O-CA 3.3Å; A211-G214 PolarHBondContact O-N 2.79Å
212	E	88.3	Confident	88.7	Confident	201 Å²	201	71.2 Å²	71.2	94%	0.939	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-46.1	-178.1	-62.8	178.6	174.1	0	0	111.5	G214	E212-G214 PolarHBondContact O-N 3.09Å
213	D	88.6	Confident	89	Confident	163 Å²	163	71.2 Å²	71.2	87%	0.872	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	10.5	171.9	-59.2	-43.9	0	0	0	113.7	A211 S215	A211-D213 PolarHBondContact O-N 2.84Å; D213-S215 PolarHBondContact O-N 2.78Å
214	G	82.4	Confident	89.4	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.01	38%	0.381	C	S	.	.			trans	-76.2	2.3	-170.7	0	0	0	0	0	115.6	T77 S78 I79 A211 E212	T77-G214 WeakPolarHBondContact O-CA 3.31Å; S78-G214 CarbonylContact C-O 3.57Å; S78-G214 WeakPolarHBondContact CA-O 3.26Å; S78-G214 WeakPolarHBondContact CB-O 3.19Å; I79-G214 PolarHBondContact N-O 3.36Å; A211-G214 VanDerWaalsContact O-CA 3.31Å; A211-G214 WeakPolarHBondContact O-CA 3.3Å; A211-G214 PolarHBondContact O-N 2.79Å; E212-G214 PolarHBondContact O-N 3.09Å
215	S	87.1	Confident	90.2	Very high	65 Å²	65	71.6 Å²	71.6	46%	0.455	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-91.7	111.7	-179.4	-170.6	0	0	0	0	112	D213	D213-S215 PolarHBondContact O-N 2.78Å
216	R	88.1	Confident	90.9	Very high	147 Å²	147	69.3 Å²	69.3	56%	0.555	36%	0.36	S	S	*	.			trans	-107.6	28.6	168	-58.6	177.6	175.5	157.9	2	111.7	S78 I79 D92	S78-R216 PolarHBondContact OG-NH1 2.85Å; I79-R216 WeakPolarHBondContact O-CB 3.34Å; I79-R216 PolarHBondContact O-N 2.74Å; I79-R216 VanDerWaalsContact O-N 3.08Å; D92-R216 IonicContact OD2-NH1 2.66Å; D92-R216 PolarHBondContact OD2-NH1 2.83Å; D92-R216 VanDerWaalsContact OD2-NH1 3.15Å
217	L	92	Very high	91.2	Very high	11 Å²	11	64.2 Å²	64.2	6%	0.058	34%	0.338	C	S	.	.			trans	-91.6	106.2	-173.8	-67	171.6	0	0	0	112	I79 G80 V82 Y220 L222 L248 K251	I79-L217 HydrophobicContact CG2-CD1 4.28Å; I79-L217 HydrophobicContact CG2-CD2 4.11Å; I79-L217 HydrophobicContact CG2-CG 4.33Å; G80-L217 VanDerWaalsContact O-CD2 3.24Å; G80-L217 WeakPolarHBondContact O-CD2 3.45Å; V82-L217 HydrophobicContact CG2-CD2 3.73Å; L217-Y220 VanDerWaalsContact CB-O 3.31Å; L217-Y220 WeakPolarHBondContact CB-O 3.22Å; L217-L222 HydrophobicContact CD1-CB 4.18Å; L217-L248 HydrophobicContact CD1-CD2 3.85Å; L217-K251 PolarHBondContact O-NZ 2.9Å
218	N	89.9	Confident	91.2	Very high	151 Å²	151	68.3 Å²	68.3	81%	0.807	36%	0.36	S	S	*	.	S	Bend	trans	-76	-43.5	178.4	-65	-24.5	0	0	0	113
219	Q	91.5	Very high	91.2	Very high	95 Å²	95	71.7 Å²	71.7	44%	0.444	38%	0.383	S	S	.	.	S	Bend	trans	-100	-9.8	-172.6	-67.8	177.8	-16.3	0	0	114.2	K251	Q219-K251 WeakPolarHBondContact O-CB 3.37Å; Q219-K251 PolarHBondContact O-N 2.73Å
220	Y	94.9	Very high	91.2	Very high	2 Å²	2	70.4 Å²	70.4	1%	0.008	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159.8	-175.1	-72.5	-88.7	0	0	0	110.9	V82 D84 H180 L217 L248 K249 R250 K251	V82-Y220 HydrophobicContact CB-CD2 3.95Å; V82-Y220 HydrophobicContact CB-CE2 3.78Å; V82-Y220 HydrophobicContact CG1-CD2 4.29Å; V82-Y220 HydrophobicContact CG1-CE2 3.66Å; V82-Y220 HydrophobicContact CG2-CD2 4.06Å; V82-Y220 HydrophobicContact CG2-CE2 4.27Å; D84-Y220 PolarHBondContact OD1-OH 2.85Å; H180-Y220 AromaticContact ND1-CE1 3.84Å; L217-Y220 VanDerWaalsContact CB-O 3.31Å; L217-Y220 WeakPolarHBondContact CB-O 3.22Å; Y220-L248 HydrophobicContact CD1-CB 3.89Å; Y220-L248 HydrophobicContact CE1-CB 4.44Å; Y220-L248 HydrophobicContact CG-CB 4.43Å; Y220-K249 CarbonylContact C-O 3.4Å; Y220-K249 VanDerWaalsContact CA-O 3.28Å; Y220-K249 WeakPolarHBondContact CA-O 3.39Å; Y220-R250 HydrophobicContact CD1-CB 4.21Å; Y220-R250 HydrophobicContact CE1-CB 4.06Å; Y220-R250 VanDerWaalsContact OH-CZ 3.31Å; Y220-R250 PolarHBondContact OH-NH1 3.11Å; Y220-R250 PolarHBondContact OH-NH2 3.07Å; Y220-K251 WeakPolarHBondContact O-CE 3.25Å; Y220-K251 PolarHBondContact O-NZ 3.19Å
221	D	93.5	Very high	91.3	Very high	70 Å²	70	72.4 Å²	72.4	37%	0.374	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.2	162.3	-70.8	-52	0	0	0	109.7	M223 L248 K249 K251	D221-M223 PolarHBondContact O-N 3.03Å; D221-L248 WeakPolarHBondContact O-CA 3.48Å; D221-K249 PolarHBondContact N-O 2.97Å; D221-K249 PolarHBondContact O-N 3.33Å; D221-K251 WeakPolarHBondContact OD1-CE 3.06Å; D221-K251 IonicContact OD1-NZ 3.59Å; D221-K251 PolarHBondContact OD1-NZ 3.12Å; D221-K251 WeakPolarHBondContact OD2-CE 3.05Å; D221-K251 IonicContact OD2-NZ 3.16Å
222	L	93.6	Very high	91.3	Very high	50 Å²	50	74.5 Å²	74.5	26%	0.262	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	109.4	168.5	177.8	68.4	0	0	0	108.3	I79 V210 L217 F246 L248	I79-L222 HydrophobicContact CD1-CD1 3.77Å; I79-L222 HydrophobicContact CD1-CD2 3.72Å; I79-L222 HydrophobicContact CD1-CG 4.28Å; V210-L222 HydrophobicContact CG1-CD2 4.06Å; V210-L222 HydrophobicContact CG2-CD2 4.3Å; L217-L222 HydrophobicContact CD1-CB 4.18Å; L222-F246 HydrophobicContact CD1-CB 4.21Å; L222-F246 HydrophobicContact CD1-CD1 4.28Å; L222-L248 HydrophobicContact CB-CD2 4.36Å; L222-L248 HydrophobicContact CD1-CD2 3.82Å
223	M	91.6	Very high	91.6	Very high	130 Å²	130	71.1 Å²	71.1	64%	0.64	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	-22.2	177.4	-60.5	-62.5	-54.3	0	0	112.4	D221 H247 K249	D221-M223 PolarHBondContact O-N 3.03Å; M223-H247 HydrophobicContact CB-CB 4.17Å; M223-H247 PolarHBondContact N-O 3.38Å; M223-K249 HydrophobicContact CG-CB 3.79Å; M223-K249 HydrophobicContact SD-CB 3.93Å; M223-K249 HydrophobicContact SD-CD 4.25Å
224	G	91.5	Very high	91.9	Very high	19 Å²	19	65.7 Å²	65.7	20%	0.196	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.5	-171.5	-178.6	0	0	0	0	0	112	H247	G224-H247 PolarHBondContact O-N 2.83Å
225	Q	91.9	Very high	92.5	Very high	71 Å²	71	71.7 Å²	71.7	33%	0.332	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.6	179.9	73.8	-75.3	14.3	0	0	111.6	V208 H245 F246	V208-Q225 HydrophobicContact CG1-CG 4.29Å; V208-Q225 PolarHBondContact O-NE2 3.2Å; Q225-H245 CarbonylContact C-O 3.59Å; Q225-H245 VanDerWaalsContact CA-O 3.26Å; Q225-H245 WeakPolarHBondContact CA-O 3.32Å; Q225-F246 HydrophobicContact CB-CD1 4.05Å; Q225-F246 HydrophobicContact CB-CE1 4.23Å
226	S	92.5	Very high	92.9	Very high	32 Å²	32	73.1 Å²	73.1	22%	0.224	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.1	166.1	52.5	0	0	0	0	110.1	T244 H245 H247	S226-T244 CarbonylContact O-C 3.59Å; S226-T244 WeakPolarHBondContact O-CA 3.28Å; S226-H245 PolarHBondContact N-O 2.04Å; S226-H245 PolarHBondContact O-N 2.96Å; S226-H247 PolarHBondContact OG-CE1 3.48Å; S226-H247 VanDerWaalsContact OG-CE1 3.31Å; S226-H247 PolarHBondContact OG-NE2 3.21Å
227	V	93.4	Very high	93.3	Very high	27 Å²	27	67 Å²	67	16%	0.164	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.6	-169	-178.9	0	0	0	0	109.1	W200 A204 V208 T244	W200-V227 HydrophobicContact CD2-CG1 4.03Å; W200-V227 HydrophobicContact CH2-CG1 4.05Å; W200-V227 HydrophobicContact CZ2-CG1 3.27Å; W200-V227 VanDerWaalsContact NE1-CG1 3.32Å; A204-V227 HydrophobicContact CB-CB 4.13Å; A204-V227 HydrophobicContact CB-CG1 3.96Å; A204-V227 WeakPolarHBondContact O-CB 3.32Å; A204-V227 WeakPolarHBondContact O-CG1 3.28Å; A204-V227 WeakPolarHBondContact O-CG2 3.27Å; V208-V227 HydrophobicContact CB-CG2 3.94Å; V208-V227 HydrophobicContact CG2-CG1 4.35Å; V208-V227 HydrophobicContact CG2-CG2 3.66Å; V227-T244 HydrophobicContact CG2-CG2 4.29Å
228	D	91.5	Very high	93.5	Very high	86 Å²	86	70.2 Å²	70.2	46%	0.46	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.4	-171.9	-174.1	26.3	0	0	0	110.9	T243	D228-T243 PolarHBondContact N-O 2.85Å; D228-T243 PolarHBondContact O-N 2.83Å; D228-T243 VanDerWaalsContact O-O 3.06Å
229	S	92.8	Very high	93.9	Very high	71 Å²	71	64 Å²	64	50%	0.497	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	118.1	177	56.4	0	0	0	0	109.9
230	G	93.1	Very high	94.1	Very high	29 Å²	29	60.3 Å²	60.3	30%	0.299	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	172.4	-178.6	0	0	0	0	0	113	V241	G230-V241 PolarHBondContact N-O 2.89Å; G230-V241 PolarHBondContact O-N 2.79Å
231	V	95.5	Very high	94.2	Very high	72 Å²	72	60.5 Å²	60.5	44%	0.436	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.3	167.8	-178.5	0	0	0	0	108	E238 Y239	V231-E238 HydrophobicContact CG1-CB 3.88Å; V231-E238 HydrophobicContact CG1-CG 4.03Å; V231-Y239 CarbonylContact C-O 3.55Å; V231-Y239 WeakPolarHBondContact CA-O 3.44Å
232	V	93.8	Very high	94.4	Very high	72 Å²	72	57.2 Å²	57.2	44%	0.436	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.8	175.3	175	0	0	0	0	108.9	Y239 V241	V232-Y239 PolarHBondContact N-O 3.08Å; V232-Y239 PolarHBondContact O-N 2.67Å; V232-V241 HydrophobicContact CB-CG2 3.85Å; V232-V241 HydrophobicContact CG2-CB 4.07Å; V232-V241 HydrophobicContact CG2-CG2 3.53Å
233	Q	95.1	Very high	94.4	Very high	130 Å²	130	55.4 Å²	55.4	61%	0.607	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.8	169	-175	65.6	51.1	0	0	109.3	E238	Q233-E238 VanDerWaalsContact OE1-CG 3.32Å
234	S	94.1	Very high	94.6	Very high	49 Å²	49	49.2 Å²	49.2	34%	0.343	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	171.1	167.9	-173.6	0	0	0	0	110	T236 G237	S234-T236 PolarHBondContact O-N 2.91Å; S234-T236 PolarHBondContact OG-OG1 2.97Å; S234-G237 PolarHBondContact N-O 3.45Å; S234-G237 PolarHBondContact O-N 2.81Å
235	S	95.7	Very high	94.8	Very high	127 Å²	127	49 Å²	49	89%	0.888	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.1	168.5	53.4	0	0	0	0	112.9
236	T	95.2	Very high	95	Very high	95 Å²	95	45.6 Å²	45.6	58%	0.583	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-13	179.8	52.6	0	0	0	0	114.4	S234 Y239	S234-T236 PolarHBondContact O-N 2.91Å; S234-T236 PolarHBondContact OG-OG1 2.97Å; T236-Y239 VanDerWaalsContact OG1-CE2 3.27Å; T236-Y239 WeakPolarHBondContact OG1-CE2 3.44Å; T236-Y239 PolarHBondContact OG1-OH 2.64Å
237	G	95.4	Very high	95.1	Very high	17 Å²	17	45.4 Å²	45.4	18%	0.175	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.3	-174.9	-178.4	0	0	0	0	0	114.4	S234 Y239	S234-G237 PolarHBondContact N-O 3.45Å; S234-G237 PolarHBondContact O-N 2.81Å; G237-Y239 VanDerWaalsContact O-CD2 3.31Å; G237-Y239 WeakPolarHBondContact O-CD2 3.33Å; G237-Y239 WeakPolarHBondContact O-CE2 3.42Å
238	E	97.3	Very high	95.1	Very high	80 Å²	80	44.2 Å²	44.2	37%	0.374	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.9	170	-75.8	-173.6	-162.9	0	0	111.1	T192 R193 V231 Q233	T192-E238 CarbonylContact C-O 3.52Å; T192-E238 WeakPolarHBondContact CA-O 3.35Å; T192-E238 WeakPolarHBondContact CB-O 3.49Å; R193-E238 HydrophobicContact CB-CB 4.23Å; R193-E238 WeakPolarHBondContact CD-OE2 3.46Å; R193-E238 IonicContact CZ-OE2 3.11Å; R193-E238 PolarHBondContact N-O 3.4Å; R193-E238 IonicContact NH1-OE2 3.38Å; R193-E238 PolarHBondContact NH1-OE2 3.49Å; V231-E238 HydrophobicContact CG1-CB 3.88Å; V231-E238 HydrophobicContact CG1-CG 4.03Å; Q233-E238 VanDerWaalsContact OE1-CG 3.32Å
239	Y	97.4	Very high	95.2	Very high	21 Å²	21	45.1 Å²	45.1	8%	0.082	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.8	177.5	-65.6	-95.2	0	0	0	111.2	A190 Y191 T192 V231 V232 T236 G237	A190-Y239 PolarHBondContact O-OH 3.46Å; Y191-Y239 VanDerWaalsContact O-CD1 3.23Å; Y191-Y239 WeakPolarHBondContact O-CD1 3.31Å; Y191-Y239 WeakPolarHBondContact O-CE1 3.24Å; T192-Y239 HydrophobicContact CG2-CE1 4.37Å; V231-Y239 CarbonylContact C-O 3.55Å; V231-Y239 WeakPolarHBondContact CA-O 3.44Å; V232-Y239 PolarHBondContact N-O 3.08Å; V232-Y239 PolarHBondContact O-N 2.67Å; T236-Y239 VanDerWaalsContact OG1-CE2 3.27Å; T236-Y239 WeakPolarHBondContact OG1-CE2 3.44Å; T236-Y239 PolarHBondContact OG1-OH 2.64Å; G237-Y239 VanDerWaalsContact O-CD2 3.31Å; G237-Y239 WeakPolarHBondContact O-CD2 3.33Å; G237-Y239 WeakPolarHBondContact O-CE2 3.42Å
240	V	96.9	Very high	95.3	Very high	17 Å²	17	42.3 Å²	42.3	10%	0.103	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.8	171.7	-179.4	0	0	0	0	109.2	R193 V197 M242	R193-V240 HydrophobicContact CB-CG2 4.08Å; R193-V240 HydrophobicContact CG-CG2 3.83Å; V197-V240 HydrophobicContact CG1-CG2 4.42Å; V197-V240 HydrophobicContact CG2-CG2 4.12Å; V240-M242 HydrophobicContact CG1-SD 4.28Å
241	V	97.1	Very high	95.4	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.1	-178.8	-176.8	0	0	0	0	110.1	H131 K185 G230 V232	H131-V241 WeakPolarHBondContact NE2-CG2 3.1Å; K185-V241 HydrophobicContact CB-CG1 4.1Å; G230-V241 PolarHBondContact N-O 2.89Å; G230-V241 PolarHBondContact O-N 2.79Å; V232-V241 HydrophobicContact CB-CG2 3.85Å; V232-V241 HydrophobicContact CG2-CB 4.07Å; V232-V241 HydrophobicContact CG2-CG2 3.53Å
242	M	96	Very high	95.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.1	175.5	-54.5	-58.7	-91.1	0	0	108.6	K185 F186 Y198 W200 V240	K185-M242 WeakPolarHBondContact CA-O 3.24Å; F186-M242 HydrophobicContact CD1-CB 4.06Å; F186-M242 HydrophobicContact CD2-CB 3.97Å; F186-M242 HydrophobicContact CD2-CG 4.23Å; F186-M242 HydrophobicContact CE1-CB 3.58Å; F186-M242 HydrophobicContact CE2-CB 3.49Å; F186-M242 VanDerWaalsContact CE2-CB 3.49Å; F186-M242 HydrophobicContact CE2-CG 3.61Å; F186-M242 HydrophobicContact CG-CB 4.24Å; F186-M242 HydrophobicContact CZ-CB 3.29Å; F186-M242 HydrophobicContact CZ-CG 3.82Å; F186-M242 PolarHBondContact N-O 3.32Å; F186-M242 PolarHBondContact O-N 2.99Å; Y198-M242 VanDerWaalsContact CB-CG 3.47Å; Y198-M242 HydrophobicContact CG-CG 4.22Å; W200-M242 HydrophobicContact CD2-CE 3.62Å; W200-M242 VanDerWaalsContact CE2-CE 3.45Å; W200-M242 HydrophobicContact CE3-CE 4.33Å; W200-M242 HydrophobicContact CG-CE 3.72Å; W200-M242 HydrophobicContact CH2-CB 4.44Å; W200-M242 HydrophobicContact CZ2-CB 3.98Å; W200-M242 HydrophobicContact CZ2-CE 4.07Å; V240-M242 HydrophobicContact CG1-SD 4.28Å
243	T	95.4	Very high	95.3	Very high	12 Å²	12	41.8 Å²	41.8	7%	0.074	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.6	-176.1	-58.8	0	0	0	0	110.7	L184 K185 D228 H245	L184-T243 WeakPolarHBondContact O-CA 3.36Å; K185-T243 HydrophobicContact CG-CG2 3.98Å; D228-T243 PolarHBondContact N-O 2.85Å; D228-T243 PolarHBondContact O-N 2.83Å; D228-T243 VanDerWaalsContact O-O 3.06Å; T243-H245 VanDerWaalsContact CG2-CE1 3.46Å; T243-H245 WeakPolarHBondContact CG2-CE1 3.41Å
244	T	95.8	Very high	95.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.6	171.9	-61.2	0	0	0	0	108.3	P183 L184 V208 S226 V227 F246	P183-T244 CarbonylContact C-O 3.59Å; P183-T244 WeakPolarHBondContact CA-O 3.28Å; L184-T244 PolarHBondContact N-O 3.04Å; L184-T244 PolarHBondContact O-N 3.48Å; V208-T244 HydrophobicContact CB-CG2 4.47Å; V208-T244 HydrophobicContact CG1-CG2 3.92Å; V208-T244 HydrophobicContact CG2-CG2 4.17Å; S226-T244 CarbonylContact O-C 3.59Å; S226-T244 WeakPolarHBondContact O-CA 3.28Å; V227-T244 HydrophobicContact CG2-CG2 4.29Å; T244-F246 HydrophobicContact CG2-CD2 4.35Å; T244-F246 HydrophobicContact CG2-CE1 4.11Å; T244-F246 HydrophobicContact CG2-CE2 3.75Å; T244-F246 HydrophobicContact CG2-CZ 3.61Å
245	H	95.3	Very high	95.2	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.065	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.7	174.2	-60.3	101.7	0	0	0	109.7	A181 C182 Q225 S226 T243 G457	A181-H245 HydrophobicContact CB-CB 4.28Å; C182-H245 WeakPolarHBondContact O-CA 3.42Å; Q225-H245 CarbonylContact C-O 3.59Å; Q225-H245 VanDerWaalsContact CA-O 3.26Å; Q225-H245 WeakPolarHBondContact CA-O 3.32Å; S226-H245 PolarHBondContact N-O 2.04Å; S226-H245 PolarHBondContact O-N 2.96Å; T243-H245 VanDerWaalsContact CG2-CE1 3.46Å; T243-H245 WeakPolarHBondContact CG2-CE1 3.41Å; H245-G457 PolarHBondContact CE1-O 2.96Å; H245-G457 VanDerWaalsContact CE1-O 3.25Å
246	F	95.2	Very high	95.2	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.4	170.2	-62.7	-79	0	0	0	109.2	V76 I79 Y89 I91 A181 C182 L184 V208 V210 L222 Q225 T244 L248	V76-F246 HydrophobicContact CG2-CE1 4.17Å; V76-F246 HydrophobicContact CG2-CZ 4.03Å; I79-F246 HydrophobicContact CD1-CD1 3.78Å; I79-F246 HydrophobicContact CD1-CE1 4.23Å; I79-F246 HydrophobicContact CD1-CG 4.26Å; Y89-F246 HydrophobicContact CE2-CD2 4.17Å; I91-F246 HydrophobicContact CD1-CD2 4.36Å; I91-F246 HydrophobicContact CD1-CE1 4.19Å; I91-F246 HydrophobicContact CD1-CE2 3.57Å; I91-F246 HydrophobicContact CD1-CZ 3.47Å; I91-F246 VanDerWaalsContact CD1-CZ 3.47Å; A181-F246 CarbonylContact C-O 3.52Å; C182-F246 PolarHBondContact N-O 2.96Å; C182-F246 PolarHBondContact O-N 2.7Å; L184-F246 HydrophobicContact CB-CE2 4.07Å; L184-F246 HydrophobicContact CD2-CE2 4.31Å; V208-F246 HydrophobicContact CG1-CE1 4.4Å; V208-F246 HydrophobicContact CG1-CZ 4.35Å; V210-F246 HydrophobicContact CG2-CE1 4.3Å; L222-F246 HydrophobicContact CD1-CB 4.21Å; L222-F246 HydrophobicContact CD1-CD1 4.28Å; Q225-F246 HydrophobicContact CB-CD1 4.05Å; Q225-F246 HydrophobicContact CB-CE1 4.23Å; T244-F246 HydrophobicContact CG2-CD2 4.35Å; T244-F246 HydrophobicContact CG2-CE1 4.11Å; T244-F246 HydrophobicContact CG2-CE2 3.75Å; T244-F246 HydrophobicContact CG2-CZ 3.61Å; F246-L248 PolarHBondContact O-N 3.35Å
247	H	94.6	Very high	95.2	Very high	27 Å²	27	37.1 Å²	37.1	13%	0.125	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	109.9	-178.1	-60.4	-55.5	0	0	0	109.8	H180 M223 G224 S226	H180-H247 WeakPolarHBondContact O-CA 3.24Å; M223-H247 HydrophobicContact CB-CB 4.17Å; M223-H247 PolarHBondContact N-O 3.38Å; G224-H247 PolarHBondContact O-N 2.83Å; S226-H247 PolarHBondContact OG-CE1 3.48Å; S226-H247 VanDerWaalsContact OG-CE1 3.31Å; S226-H247 PolarHBondContact OG-NE2 3.21Å
248	L	94.6	Very high	95.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.4	-176.6	-56.5	-177.2	0	0	0	109.9	V82 A179 H180 C182 L217 Y220 D221 L222 F246	V82-L248 HydrophobicContact CG2-CD1 3.75Å; A179-L248 CarbonylContact C-O 3.59Å; A179-L248 WeakPolarHBondContact CA-O 3.43Å; A179-L248 WeakPolarHBondContact CB-O 3.48Å; H180-L248 PolarHBondContact N-O 3Å; H180-L248 PolarHBondContact O-N 3.18Å; C182-L248 HydrophobicContact CB-CD1 4.48Å; L217-L248 HydrophobicContact CD1-CD2 3.85Å; Y220-L248 HydrophobicContact CD1-CB 3.89Å; Y220-L248 HydrophobicContact CE1-CB 4.44Å; Y220-L248 HydrophobicContact CG-CB 4.43Å; D221-L248 WeakPolarHBondContact O-CA 3.48Å; L222-L248 HydrophobicContact CB-CD2 4.36Å; L222-L248 HydrophobicContact CD1-CD2 3.82Å; F246-L248 PolarHBondContact O-N 3.35Å
249	K	93.7	Very high	94.9	Very high	106 Å²	106	38.2 Å²	38.2	46%	0.461	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.7	173.7	-174.9	175.4	-178.3	179.8	0	110.2	A179 Y220 D221 M223	A179-K249 HydrophobicContact CB-CB 4.28Å; A179-K249 HydrophobicContact CB-CG 4.31Å; Y220-K249 CarbonylContact C-O 3.4Å; Y220-K249 VanDerWaalsContact CA-O 3.28Å; Y220-K249 WeakPolarHBondContact CA-O 3.39Å; D221-K249 PolarHBondContact N-O 2.97Å; D221-K249 PolarHBondContact O-N 3.33Å; M223-K249 HydrophobicContact CG-CB 3.79Å; M223-K249 HydrophobicContact SD-CB 3.93Å; M223-K249 HydrophobicContact SD-CD 4.25Å
250	R	94.7	Very high	94.9	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	142.8	-177.7	-167.3	-177.9	-61	-83.4	6.8	112.5	D84 F175 D178 Y220 I252 F255	D84-R250 IonicContact OD1-NH1 3.7Å; D84-R250 IonicContact OD1-NH2 3.51Å; D84-R250 IonicContact OD2-CZ 2.8Å; D84-R250 VanDerWaalsContact OD2-CZ 3.32Å; D84-R250 IonicContact OD2-NH1 2.69Å; D84-R250 PolarHBondContact OD2-NH1 2.79Å; D84-R250 IonicContact OD2-NH2 3.28Å; D84-R250 PolarHBondContact OD2-NH2 2.82Å; D84-R250 VanDerWaalsContact OD2-NH2 3.16Å; F175-R250 VanDerWaalsContact CE2-CZ 3.42Å; D178-R250 VanDerWaalsContact CG-NE 3.3Å; D178-R250 PolarHBondContact O-N 3.42Å; D178-R250 WeakPolarHBondContact OD1-CB 3.45Å; D178-R250 VanDerWaalsContact OD1-CD 3.25Å; D178-R250 WeakPolarHBondContact OD1-CD 3.35Å; D178-R250 IonicContact OD1-CZ 2.84Å; D178-R250 IonicContact OD1-NE 2.78Å; D178-R250 PolarHBondContact OD1-NE 3.25Å; D178-R250 IonicContact OD1-NH2 3.13Å; D178-R250 IonicContact OD2-CZ 3.7Å; D178-R250 IonicContact OD2-NE 3.5Å; D178-R250 PolarHBondContact OD2-NE 2.98Å; D178-R250 VanDerWaalsContact OD2-NE 3.07Å; D178-R250 IonicContact OD2-NH2 2.71Å; D178-R250 PolarHBondContact OD2-NH2 2.76Å; Y220-R250 HydrophobicContact CD1-CB 4.21Å; Y220-R250 HydrophobicContact CE1-CB 4.06Å; Y220-R250 VanDerWaalsContact OH-CZ 3.31Å; Y220-R250 PolarHBondContact OH-NH1 3.11Å; Y220-R250 PolarHBondContact OH-NH2 3.07Å; R250-I252 PolarHBondContact O-N 3.47Å; R250-F255 HydrophobicContact CG-CE2 4.47Å
251	K	94.2	Very high	94.8	Very high	75 Å²	75	40 Å²	40	33%	0.326	20%	0.2	S	C	.	.			trans	-81	109.4	170.6	-71.7	170.5	176.1	152.7	0	110.4	L217 Q219 Y220 D221 G253	L217-K251 PolarHBondContact O-NZ 2.9Å; Q219-K251 WeakPolarHBondContact O-CB 3.37Å; Q219-K251 PolarHBondContact O-N 2.73Å; Y220-K251 WeakPolarHBondContact O-CE 3.25Å; Y220-K251 PolarHBondContact O-NZ 3.19Å; D221-K251 WeakPolarHBondContact OD1-CE 3.06Å; D221-K251 IonicContact OD1-NZ 3.59Å; D221-K251 PolarHBondContact OD1-NZ 3.12Å; D221-K251 WeakPolarHBondContact OD2-CE 3.05Å; D221-K251 IonicContact OD2-NZ 3.16Å; K251-G253 VanDerWaalsContact C-N 3.34Å; K251-G253 PolarHBondContact O-N 2.94Å
252	I	94	Very high	94.8	Very high	47 Å²	47	41.6 Å²	41.6	24%	0.241	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-25.2	-176.2	-155.5	-175.2	0	0	0	114.2	P176 M177 R250 Y254 F255 V256 W445 L449	P176-I252 HydrophobicContact CG-CG1 4.12Å; M177-I252 HydrophobicContact CG-CD1 3.46Å; M177-I252 VanDerWaalsContact CG-CD1 3.46Å; M177-I252 HydrophobicContact CG-CG1 4.22Å; M177-I252 HydrophobicContact SD-CD1 3.87Å; R250-I252 PolarHBondContact O-N 3.47Å; I252-Y254 VanDerWaalsContact C-N 3.31Å; I252-Y254 PolarHBondContact O-N 3.4Å; I252-Y254 VanDerWaalsContact O-N 3.13Å; I252-F255 PolarHBondContact O-N 3.44Å; I252-V256 HydrophobicContact CD1-CG2 4.27Å; I252-V256 HydrophobicContact CG1-CG2 4.12Å; I252-V256 HydrophobicContact CG2-CG2 4.27Å; I252-V256 PolarHBondContact O-N 2.83Å; I252-V256 VanDerWaalsContact O-N 3.15Å; I252-W445 HydrophobicContact CD1-CH2 4.31Å; I252-W445 HydrophobicContact CD1-CZ3 3.72Å; I252-L449 HydrophobicContact CD1-CD2 4.39Å
253	G	93.3	Very high	94.9	Very high	41 Å²	41	41.5 Å²	41.5	42%	0.423	21%	0.21	S	C	.	.	H	α-helix	trans	-56.9	-35.5	-165.3	0	0	0	0	0	115.5	K251 V256 I257	K251-G253 VanDerWaalsContact C-N 3.34Å; K251-G253 PolarHBondContact O-N 2.94Å; G253-V256 PolarHBondContact O-N 3.46Å; G253-I257 PolarHBondContact O-N 2.88Å
254	Y	93.6	Very high	95	Very high	131 Å²	131	42.6 Å²	42.6	51%	0.514	22%	0.215	S	C	.	.	H	α-helix	trans	-59.8	-49.2	175.5	174.2	-96.9	0	0	0	111.9	I252 V256 I257 Q258	I252-Y254 VanDerWaalsContact C-N 3.31Å; I252-Y254 PolarHBondContact O-N 3.4Å; I252-Y254 VanDerWaalsContact O-N 3.13Å; Y254-V256 VanDerWaalsContact C-N 3.34Å; Y254-V256 PolarHBondContact O-N 2.66Å; Y254-I257 PolarHBondContact O-N 3.43Å; Y254-Q258 HydrophobicContact CD2-CG 4.09Å; Y254-Q258 HydrophobicContact CE1-CB 4.42Å; Y254-Q258 HydrophobicContact CE1-CG 4.19Å; Y254-Q258 HydrophobicContact CE2-CG 3.72Å; Y254-Q258 HydrophobicContact CG-CG 4.49Å; Y254-Q258 WeakPolarHBondContact O-CB 3.45Å; Y254-Q258 WeakPolarHBondContact O-CG 3.37Å; Y254-Q258 PolarHBondContact O-N 3.16Å
255	F	94.3	Very high	95	Very high	13 Å²	13	48 Å²	48	6%	0.057	24%	0.241	C	C	.	.	H	α-helix	trans	-70	-31.6	-178.4	-57.4	-75.4	0	0	0	112.3	F175 P176 R250 I252 I257 T259 Y260 M315	F175-F255 HydrophobicContact CE1-CD1 4.31Å; F175-F255 AromaticContact CE1-CE1 3.95Å; F175-F255 HydrophobicContact CE1-CE1 3.95Å; F175-F255 HydrophobicContact CE1-CZ 4.22Å; F175-F255 HydrophobicContact CE2-CZ 4.16Å; F175-F255 HydrophobicContact CZ-CD1 4.32Å; F175-F255 AromaticContact CZ-CE1 3.54Å; F175-F255 HydrophobicContact CZ-CE1 3.54Å; F175-F255 HydrophobicContact CZ-CE2 4.22Å; F175-F255 AromaticContact CZ-CZ 3.48Å; F175-F255 HydrophobicContact CZ-CZ 3.48Å; F175-F255 VanDerWaalsContact CZ-CZ 3.48Å; P176-F255 HydrophobicContact CB-CB 4.33Å; P176-F255 HydrophobicContact CB-CD2 3.43Å; P176-F255 VanDerWaalsContact CB-CD2 3.43Å; P176-F255 HydrophobicContact CB-CE2 3.81Å; P176-F255 HydrophobicContact CB-CG 3.84Å; P176-F255 HydrophobicContact CB-CZ 4.48Å; P176-F255 HydrophobicContact CG-CB 3.81Å; P176-F255 HydrophobicContact CG-CD2 3.88Å; P176-F255 HydrophobicContact CG-CG 3.87Å; R250-F255 HydrophobicContact CG-CE2 4.47Å; I252-F255 PolarHBondContact O-N 3.44Å; F255-I257 VanDerWaalsContact C-N 3.33Å; F255-I257 PolarHBondContact O-N 2.65Å; F255-T259 WeakPolarHBondContact O-CA 3.22Å; F255-T259 WeakPolarHBondContact O-CB 3.26Å; F255-T259 PolarHBondContact O-N 2.92Å; F255-Y260 HydrophobicContact CB-CD2 4.4Å; F255-Y260 HydrophobicContact CB-CE2 4.22Å; F255-Y260 WeakPolarHBondContact O-CD2 3.33Å; F255-Y260 PolarHBondContact O-N 2.81Å; F255-M315 HydrophobicContact CB-CE 3.88Å; F255-M315 HydrophobicContact CD1-CE 3.61Å; F255-M315 HydrophobicContact CE1-CE 4.41Å; F255-M315 HydrophobicContact CG-CE 3.9Å
256	V	95.4	Very high	95.1	Very high	43 Å²	43	47.8 Å²	47.8	26%	0.261	24%	0.242	S	C	.	.	I	π-helix	trans	-57.9	-47.9	172.6	175.9	0	0	0	0	110.5	I252 G253 Y254 L261	I252-V256 HydrophobicContact CD1-CG2 4.27Å; I252-V256 HydrophobicContact CG1-CG2 4.12Å; I252-V256 HydrophobicContact CG2-CG2 4.27Å; I252-V256 PolarHBondContact O-N 2.83Å; I252-V256 VanDerWaalsContact O-N 3.15Å; G253-V256 PolarHBondContact O-N 3.46Å; Y254-V256 VanDerWaalsContact C-N 3.34Å; Y254-V256 PolarHBondContact O-N 2.66Å; V256-L261 HydrophobicContact CG1-CD1 4.46Å; V256-L261 HydrophobicContact CG1-CG 4.3Å; V256-L261 WeakPolarHBondContact O-CB 3.4Å; V256-L261 WeakPolarHBondContact O-CG 3.49Å; V256-L261 PolarHBondContact O-N 2.71Å
257	I	94.9	Very high	95.2	Very high	115 Å²	115	47.8 Å²	47.8	59%	0.59	24%	0.241	S	C	*	.	I	π-helix	trans	-75.4	-43.3	-177.1	-62.5	170.1	0	0	0	111.9	G253 Y254 F255 P262	G253-I257 PolarHBondContact O-N 2.88Å; Y254-I257 PolarHBondContact O-N 3.43Å; F255-I257 VanDerWaalsContact C-N 3.33Å; F255-I257 PolarHBondContact O-N 2.65Å; I257-P262 VanDerWaalsContact O-CD 3.26Å; I257-P262 WeakPolarHBondContact O-CD 3.25Å
258	Q	92.5	Very high	95.3	Very high	108 Å²	108	50.5 Å²	50.5	51%	0.505	26%	0.256	S	S	.	.	I	π-helix	trans	-84.3	-25.7	-173.8	-69.2	-73.5	1.1	0	0	114.4	Y254	Y254-Q258 HydrophobicContact CD2-CG 4.09Å; Y254-Q258 HydrophobicContact CE1-CB 4.42Å; Y254-Q258 HydrophobicContact CE1-CG 4.19Å; Y254-Q258 HydrophobicContact CE2-CG 3.72Å; Y254-Q258 HydrophobicContact CG-CG 4.49Å; Y254-Q258 WeakPolarHBondContact O-CB 3.45Å; Y254-Q258 WeakPolarHBondContact O-CG 3.37Å; Y254-Q258 PolarHBondContact O-N 3.16Å
259	T	94.4	Very high	95.3	Very high	12 Å²	12	54.7 Å²	54.7	7%	0.074	28%	0.278	C	S	.	.	I	π-helix	trans	-124.7	-59.6	-171.4	-46.7	0	0	0	0	112.2	F255 C263 A302 M315 I319	F255-T259 WeakPolarHBondContact O-CA 3.22Å; F255-T259 WeakPolarHBondContact O-CB 3.26Å; F255-T259 PolarHBondContact O-N 2.92Å; T259-C263 WeakPolarHBondContact O-CB 3.25Å; T259-C263 PolarHBondContact O-N 3.27Å; T259-C263 VanDerWaalsContact O-N 3.08Å; T259-C263 PolarHBondContact O-SG 3.15Å; T259-A302 HydrophobicContact CG2-CB 3.97Å; T259-M315 HydrophobicContact CG2-CG 4.37Å; T259-M315 HydrophobicContact CG2-SD 4Å; T259-I319 HydrophobicContact CG2-CD1 4.06Å
260	Y	96.2	Very high	95.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.008	26%	0.256	C	S	.	.	I	π-helix	trans	-65.8	-48	-172.9	-68.5	-86.6	0	0	0	112.5	P176 F255 C263 I264 M315 F318 Y444 W445	P176-Y260 WeakPolarHBondContact CD-OH 3.39Å; P176-Y260 HydrophobicContact CG-CE2 4.03Å; F255-Y260 HydrophobicContact CB-CD2 4.4Å; F255-Y260 HydrophobicContact CB-CE2 4.22Å; F255-Y260 WeakPolarHBondContact O-CD2 3.33Å; F255-Y260 PolarHBondContact O-N 2.81Å; Y260-C263 PolarHBondContact O-N 3.42Å; Y260-I264 WeakPolarHBondContact O-CB 3.45Å; Y260-I264 WeakPolarHBondContact O-CD1 3.48Å; Y260-I264 VanDerWaalsContact O-CG1 3.25Å; Y260-I264 WeakPolarHBondContact O-CG1 3.42Å; Y260-I264 PolarHBondContact O-N 3.03Å; Y260-M315 HydrophobicContact CE2-CE 4.23Å; Y260-F318 AromaticContact CD1-CD1 3.53Å; Y260-F318 HydrophobicContact CD1-CD1 3.53Å; Y260-F318 HydrophobicContact CD1-CD2 4Å; Y260-F318 AromaticContact CD1-CE1 3.56Å; Y260-F318 HydrophobicContact CD1-CE1 3.56Å; Y260-F318 HydrophobicContact CD1-CE2 4.03Å; Y260-F318 AromaticContact CD1-CG 3.76Å; Y260-F318 HydrophobicContact CD1-CG 3.76Å; Y260-F318 AromaticContact CD1-CZ 3.83Å; Y260-F318 HydrophobicContact CD1-CZ 3.83Å; Y260-F318 HydrophobicContact CE1-CB 3.95Å; Y260-F318 AromaticContact CE1-CD1 3.78Å; Y260-F318 HydrophobicContact CE1-CD1 3.78Å; Y260-F318 AromaticContact CE1-CD2 3.9Å; Y260-F318 HydrophobicContact CE1-CD2 3.9Å; Y260-F318 HydrophobicContact CE1-CE1 4.26Å; Y260-F318 HydrophobicContact CE1-CE2 4.37Å; Y260-F318 AromaticContact CE1-CG 3.58Å; Y260-F318 HydrophobicContact CE1-CG 3.58Å; Y260-F318 HydrophobicContact CG-CE1 4.46Å; Y260-Y444 AromaticContact CE1-CE1 3.61Å; Y260-Y444 HydrophobicContact CE1-CE1 3.61Å; Y260-Y444 AromaticContact CE1-CZ 3.84Å; Y260-Y444 WeakPolarHBondContact CE1-OH 3.06Å; Y260-Y444 PolarHBondContact OH-OH 3.09Å; Y260-W445 AromaticContact CD1-CH2 3.72Å; Y260-W445 HydrophobicContact CD1-CH2 3.72Å; Y260-W445 AromaticContact CD1-CZ2 3.62Å; Y260-W445 HydrophobicContact CD1-CZ2 3.62Å; Y260-W445 HydrophobicContact CD2-CH2 4.03Å; Y260-W445 AromaticContact CE1-CH2 3.83Å; Y260-W445 HydrophobicContact CE1-CH2 3.83Å; Y260-W445 HydrophobicContact CE1-CZ2 4.04Å; Y260-W445 HydrophobicContact CE2-CH2 4.13Å; Y260-W445 AromaticContact CG-CH2 3.83Å; Y260-W445 HydrophobicContact CG-CH2 3.83Å; Y260-W445 AromaticContact CG-CZ2 3.92Å; Y260-W445 HydrophobicContact CG-CZ2 3.92Å
261	L	96.4	Very high	95.3	Very high	74 Å²	74	49.9 Å²	49.9	39%	0.387	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-49.1	179.6	-74.6	178.2	0	0	0	112.7	V256 C263 I264 M265	V256-L261 HydrophobicContact CG1-CD1 4.46Å; V256-L261 HydrophobicContact CG1-CG 4.3Å; V256-L261 WeakPolarHBondContact O-CB 3.4Å; V256-L261 WeakPolarHBondContact O-CG 3.49Å; V256-L261 PolarHBondContact O-N 2.71Å; L261-C263 VanDerWaalsContact C-N 3.33Å; L261-C263 PolarHBondContact O-N 3.13Å; L261-I264 PolarHBondContact O-N 2.84Å; L261-M265 WeakPolarHBondContact O-CB 3.35Å; L261-M265 VanDerWaalsContact O-CG 3.31Å; L261-M265 WeakPolarHBondContact O-CG 3.23Å; L261-M265 PolarHBondContact O-N 2.82Å
262	P	96.9	Very high	95.3	Very high	38 Å²	38	49.9 Å²	49.9	25%	0.247	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-39.3	173.6	-29.4	37.4	0	0	0	114.1	I257 T266 L298	I257-P262 VanDerWaalsContact O-CD 3.26Å; I257-P262 WeakPolarHBondContact O-CD 3.25Å; P262-T266 WeakPolarHBondContact O-CB 3.22Å; P262-T266 PolarHBondContact O-N 3.5Å; P262-T266 PolarHBondContact O-OG1 2.84Å; P262-L298 HydrophobicContact CB-CD1 3.87Å; P262-L298 HydrophobicContact CB-CD2 3.87Å
263	C	97	Very high	95.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-47.4	176.3	-67.9	0	0	0	0	111.6	T259 Y260 L261 M265 T266 V267 M295 F318	T259-C263 WeakPolarHBondContact O-CB 3.25Å; T259-C263 PolarHBondContact O-N 3.27Å; T259-C263 VanDerWaalsContact O-N 3.08Å; T259-C263 PolarHBondContact O-SG 3.15Å; Y260-C263 PolarHBondContact O-N 3.42Å; L261-C263 VanDerWaalsContact C-N 3.33Å; L261-C263 PolarHBondContact O-N 3.13Å; C263-M265 PolarHBondContact O-N 3.27Å; C263-T266 PolarHBondContact O-N 3.42Å; C263-V267 WeakPolarHBondContact O-CG2 3.4Å; C263-V267 PolarHBondContact O-N 3.03Å; C263-M295 HydrophobicContact CB-CE 4Å; C263-M295 HydrophobicContact CB-SD 4.39Å; C263-M295 VanDerWaalsContact SG-CE 3.51Å; C263-F318 HydrophobicContact CB-CE1 3.98Å
264	I	97.4	Very high	95.3	Very high	35 Å²	35	46.1 Å²	46.1	18%	0.179	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-46.7	176.5	-71.2	165.3	0	0	0	110.7	Y260 L261 T266 V267 I268 F318 F437	Y260-I264 WeakPolarHBondContact O-CB 3.45Å; Y260-I264 WeakPolarHBondContact O-CD1 3.48Å; Y260-I264 VanDerWaalsContact O-CG1 3.25Å; Y260-I264 WeakPolarHBondContact O-CG1 3.42Å; Y260-I264 PolarHBondContact O-N 3.03Å; L261-I264 PolarHBondContact O-N 2.84Å; I264-T266 VanDerWaalsContact C-N 3.34Å; I264-T266 PolarHBondContact O-N 3.34Å; I264-V267 PolarHBondContact O-N 3.31Å; I264-I268 HydrophobicContact CG2-CD1 3.8Å; I264-I268 WeakPolarHBondContact O-CG1 3.25Å; I264-I268 PolarHBondContact O-N 3.49Å; I264-F318 HydrophobicContact CD1-CZ 4.06Å; I264-F318 HydrophobicContact CG1-CE1 4.29Å; I264-F318 HydrophobicContact CG1-CZ 3.75Å; I264-F437 HydrophobicContact CG1-CE1 4.4Å; I264-F437 HydrophobicContact CG1-CZ 4.13Å; I264-F437 HydrophobicContact CG2-CE1 4.3Å
265	M	96.6	Very high	95.2	Very high	112 Å²	112	47.9 Å²	47.9	55%	0.552	24%	0.241	S	C	*	.	H	α-helix	trans	-62.5	-39.5	177	-71	179.6	-178.3	0	0	112.1	L261 C263 I268 L269	L261-M265 WeakPolarHBondContact O-CB 3.35Å; L261-M265 VanDerWaalsContact O-CG 3.31Å; L261-M265 WeakPolarHBondContact O-CG 3.23Å; L261-M265 PolarHBondContact O-N 2.82Å; C263-M265 PolarHBondContact O-N 3.27Å; M265-I268 PolarHBondContact O-N 2.98Å; M265-L269 WeakPolarHBondContact O-CB 3.3Å; M265-L269 VanDerWaalsContact O-CG 3.27Å; M265-L269 WeakPolarHBondContact O-CG 3.43Å; M265-L269 PolarHBondContact O-N 3.1Å
266	T	96.5	Very high	95	Very high	11 Å²	11	50 Å²	50	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-39.8	176.9	-56.8	0	0	0	0	111.9	P262 C263 I264 L269 S270 T291 T294 V326	P262-T266 WeakPolarHBondContact O-CB 3.22Å; P262-T266 PolarHBondContact O-N 3.5Å; P262-T266 PolarHBondContact O-OG1 2.84Å; C263-T266 PolarHBondContact O-N 3.42Å; I264-T266 VanDerWaalsContact C-N 3.34Å; I264-T266 PolarHBondContact O-N 3.34Å; T266-L269 PolarHBondContact O-N 2.88Å; T266-S270 PolarHBondContact O-N 3.48Å; T266-S270 VanDerWaalsContact O-N 3.08Å; T266-T291 HydrophobicContact CG2-CG2 4.29Å; T266-T294 HydrophobicContact CG2-CG2 4.15Å; T266-V326 HydrophobicContact CG2-CG2 4.46Å
267	V	97.5	Very high	94.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-40.7	173.8	175.4	0	0	0	0	111.5	C263 I264 S270 Q271 C322 F325 V326 F437	C263-V267 WeakPolarHBondContact O-CG2 3.4Å; C263-V267 PolarHBondContact O-N 3.03Å; I264-V267 PolarHBondContact O-N 3.31Å; V267-S270 PolarHBondContact O-N 3.01Å; V267-S270 PolarHBondContact O-OG 3.46Å; V267-Q271 VanDerWaalsContact O-CG 3.3Å; V267-Q271 WeakPolarHBondContact O-CG 3.22Å; V267-Q271 PolarHBondContact O-N 3.27Å; V267-C322 HydrophobicContact CG2-CB 3.65Å; V267-F325 HydrophobicContact CG1-CB 4.02Å; V267-V326 HydrophobicContact CG2-CG2 3.97Å; V267-F437 HydrophobicContact CB-CD1 4.45Å; V267-F437 HydrophobicContact CB-CE1 3.94Å; V267-F437 HydrophobicContact CB-CE2 4.28Å; V267-F437 HydrophobicContact CB-CZ 3.85Å; V267-F437 HydrophobicContact CG1-CD1 3.72Å; V267-F437 HydrophobicContact CG1-CD2 3.9Å; V267-F437 HydrophobicContact CG1-CE1 3.71Å; V267-F437 HydrophobicContact CG1-CE2 3.9Å; V267-F437 HydrophobicContact CG1-CG 3.81Å; V267-F437 HydrophobicContact CG1-CZ 3.8Å; V267-F437 HydrophobicContact CG2-CE2 4.12Å; V267-F437 HydrophobicContact CG2-CZ 3.97Å
268	I	96.2	Very high	94.2	Very high	85 Å²	85	48.9 Å²	48.9	44%	0.436	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-42.9	175.3	-68.1	166.1	0	0	0	110.5	I264 M265 S270 Q271 V272	I264-I268 HydrophobicContact CG2-CD1 3.8Å; I264-I268 WeakPolarHBondContact O-CG1 3.25Å; I264-I268 PolarHBondContact O-N 3.49Å; M265-I268 PolarHBondContact O-N 2.98Å; I268-S270 VanDerWaalsContact C-N 3.35Å; I268-S270 PolarHBondContact O-N 3.26Å; I268-Q271 PolarHBondContact O-N 2.87Å; I268-Q271 VanDerWaalsContact O-N 3.14Å; I268-V272 WeakPolarHBondContact O-CG2 3.5Å; I268-V272 PolarHBondContact O-N 2.96Å
269	L	94.6	Very high	93.9	Very high	89 Å²	89	45.4 Å²	45.4	47%	0.466	23%	0.228	S	C	.	.	H	α-helix	trans	-62.2	-37.2	178	-75.8	170.3	0	0	0	113	M265 T266 Q271 V272 T291	M265-L269 WeakPolarHBondContact O-CB 3.3Å; M265-L269 VanDerWaalsContact O-CG 3.27Å; M265-L269 WeakPolarHBondContact O-CG 3.43Å; M265-L269 PolarHBondContact O-N 3.1Å; T266-L269 PolarHBondContact O-N 2.88Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-V272 PolarHBondContact O-N 3.4Å; L269-T291 HydrophobicContact CB-CG2 4.28Å
270	S	95.8	Very high	93.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-36.7	174.6	74.1	0	0	0	0	111.7	T266 V267 I268 S273	T266-S270 PolarHBondContact O-N 3.48Å; T266-S270 VanDerWaalsContact O-N 3.08Å; V267-S270 PolarHBondContact O-N 3.01Å; V267-S270 PolarHBondContact O-OG 3.46Å; I268-S270 VanDerWaalsContact C-N 3.35Å; I268-S270 PolarHBondContact O-N 3.26Å; S270-S273 WeakPolarHBondContact O-CB 3.37Å; S270-S273 PolarHBondContact O-N 2.9Å; S270-S273 PolarHBondContact O-OG 2.82Å
271	Q	94.5	Very high	93.3	Very high	15 Å²	15	48.8 Å²	48.8	7%	0.07	25%	0.25	C	S	.	.	H	α-helix	trans	-71.2	-28.4	176.7	-64.7	173.4	12.6	0	0	113.6	V267 I268 L269 S273 F274 F433	V267-Q271 VanDerWaalsContact O-CG 3.3Å; V267-Q271 WeakPolarHBondContact O-CG 3.22Å; V267-Q271 PolarHBondContact O-N 3.27Å; I268-Q271 PolarHBondContact O-N 2.87Å; I268-Q271 VanDerWaalsContact O-N 3.14Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; Q271-S273 PolarHBondContact O-N 3.46Å; Q271-F274 HydrophobicContact CB-CD2 4.24Å; Q271-F274 HydrophobicContact CB-CE2 4.06Å; Q271-F274 HydrophobicContact CG-CE2 4.02Å; Q271-F274 WeakPolarHBondContact O-CB 3.42Å; Q271-F274 WeakPolarHBondContact O-CD2 3.45Å; Q271-F274 WeakPolarHBondContact O-CG 3.34Å; Q271-F274 PolarHBondContact O-N 3.45Å; Q271-F433 HydrophobicContact CG-CB 4.08Å
272	V	94.1	Very high	93.1	Very high	76 Å²	76	50 Å²	50	46%	0.461	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-29.6	173.1	169.3	0	0	0	0	111.3	I268 L269 F274 W275	I268-V272 WeakPolarHBondContact O-CG2 3.5Å; I268-V272 PolarHBondContact O-N 2.96Å; L269-V272 PolarHBondContact O-N 3.4Å; V272-F274 PolarHBondContact O-N 2.71Å; V272-F274 VanDerWaalsContact O-N 3.17Å; V272-W275 WeakPolarHBondContact O-CB 3.2Å; V272-W275 PolarHBondContact O-N 2.76Å
273	S	92.6	Very high	92.9	Very high	7 Å²	7	50 Å²	50	5%	0.049	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-60.1	-26.2	178.5	77.3	0	0	0	0	114.1	S270 Q271 W275 L276	S270-S273 WeakPolarHBondContact O-CB 3.37Å; S270-S273 PolarHBondContact O-N 2.9Å; S270-S273 PolarHBondContact O-OG 2.82Å; Q271-S273 PolarHBondContact O-N 3.46Å; S273-W275 PolarHBondContact O-N 3.48Å; S273-L276 WeakPolarHBondContact O-CB 3.38Å; S273-L276 PolarHBondContact O-N 3.08Å; S273-L276 VanDerWaalsContact O-N 3.1Å
274	F	93.1	Very high	92.7	Very high	1 Å²	1	50 Å²	50	0%	0.004	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-66.2	-19.7	176.5	-53.2	-37.5	0	0	0	113.3	Q271 V272 A329 E332 A429 R430 F433	Q271-F274 HydrophobicContact CB-CD2 4.24Å; Q271-F274 HydrophobicContact CB-CE2 4.06Å; Q271-F274 HydrophobicContact CG-CE2 4.02Å; Q271-F274 WeakPolarHBondContact O-CB 3.42Å; Q271-F274 WeakPolarHBondContact O-CD2 3.45Å; Q271-F274 WeakPolarHBondContact O-CG 3.34Å; Q271-F274 PolarHBondContact O-N 3.45Å; V272-F274 PolarHBondContact O-N 2.71Å; V272-F274 VanDerWaalsContact O-N 3.17Å; F274-A329 HydrophobicContact CE1-CB 3.89Å; F274-A329 HydrophobicContact CZ-CB 3.66Å; F274-E332 HydrophobicContact CD1-CG 4.28Å; F274-E332 VanDerWaalsContact CD1-OE2 3.3Å; F274-E332 WeakPolarHBondContact CD1-OE2 3.4Å; F274-E332 HydrophobicContact CE1-CB 3.95Å; F274-E332 HydrophobicContact CE1-CG 3.82Å; F274-E332 WeakPolarHBondContact CE1-OE2 3.39Å; F274-E332 HydrophobicContact CZ-CG 4.45Å; F274-A429 HydrophobicContact CD1-CB 4.36Å; F274-A429 HydrophobicContact CD2-CB 4.11Å; F274-A429 HydrophobicContact CE1-CB 4.44Å; F274-A429 HydrophobicContact CE2-CB 4.18Å; F274-A429 HydrophobicContact CG-CB 4.21Å; F274-A429 HydrophobicContact CZ-CB 4.35Å; F274-R430 HydrophobicContact CB-CG 3.82Å; F274-R430 PolarHBondContact O-NE 2.94Å; F274-R430 PolarHBondContact O-NH2 3.06Å; F274-F433 HydrophobicContact CE2-CB 3.81Å; F274-F433 AromaticContact CE2-CD1 3.91Å; F274-F433 HydrophobicContact CE2-CD1 3.91Å; F274-F433 HydrophobicContact CE2-CD2 4.04Å; F274-F433 HydrophobicContact CE2-CE1 4.46Å; F274-F433 AromaticContact CE2-CG 3.67Å; F274-F433 HydrophobicContact CE2-CG 3.67Å; F274-F433 AromaticContact CZ-CD1 3.81Å; F274-F433 HydrophobicContact CZ-CD1 3.81Å; F274-F433 HydrophobicContact CZ-CD2 4.16Å; F274-F433 AromaticContact CZ-CE1 3.91Å; F274-F433 HydrophobicContact CZ-CE1 3.91Å; F274-F433 HydrophobicContact CZ-CE2 4.25Å; F274-F433 AromaticContact CZ-CG 3.94Å; F274-F433 HydrophobicContact CZ-CG 3.94Å; F274-F433 HydrophobicContact CZ-CZ 4.13Å
275	W	92.4	Very high	92.5	Very high	168 Å²	168	51 Å²	51	64%	0.636	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-82.2	-16.5	175.9	-70.2	87.9	0	0	0	113	V272 S273 R430	V272-W275 WeakPolarHBondContact O-CB 3.2Å; V272-W275 PolarHBondContact O-N 2.76Å; S273-W275 PolarHBondContact O-N 3.48Å; W275-R430 HydrophobicContact CD2-CG 4.41Å; W275-R430 HydrophobicContact CZ2-CB 4.41Å; W275-R430 HydrophobicContact CZ2-CG 4.31Å
276	L	90.6	Very high	92.4	Very high	58 Å²	58	50 Å²	50	30%	0.304	27%	0.273	S	S	.	.	S	Bend	trans	-76	145.4	179.7	-157.6	66.2	0	0	0	111.7	S273 R278 A283 R284	S273-L276 WeakPolarHBondContact O-CB 3.38Å; S273-L276 PolarHBondContact O-N 3.08Å; S273-L276 VanDerWaalsContact O-N 3.1Å; L276-R278 PolarHBondContact O-N 3.3Å; L276-A283 HydrophobicContact CD2-CB 3.55Å; L276-R284 HydrophobicContact CB-CG 4.25Å; L276-R284 HydrophobicContact CD2-CG 4.06Å; L276-R284 PolarHBondContact O-NH1 3.24Å
277	N	87.7	Confident	92.2	Very high	104 Å²	104	53.7 Å²	53.7	56%	0.556	29%	0.289	S	S	*	.			trans	-55.8	135.9	173.7	-67.1	-27.2	0	0	0	110.1	E279 S280	N277-E279 PolarHBondContact O-N 3.04Å; N277-S280 WeakPolarHBondContact O-CB 3.32Å; N277-S280 PolarHBondContact O-N 2.74Å; N277-S280 VanDerWaalsContact O-N 3.07Å
278	R	85.4	Confident	92	Very high	30 Å²	30	54 Å²	54	11%	0.113	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.3	-176	79.1	-174.1	72.9	119.3	51.2	112.9	L276 S280 V281 V336 T340 S421 V422 D426	L276-R278 PolarHBondContact O-N 3.3Å; R278-S280 PolarHBondContact O-N 3.5Å; R278-V281 VanDerWaalsContact O-CG2 3.3Å; R278-V281 WeakPolarHBondContact O-CG2 3.43Å; R278-V336 HydrophobicContact CB-CG1 3.71Å; R278-V336 HydrophobicContact CG-CG1 4.49Å; R278-T340 WeakPolarHBondContact CD-OG1 3.3Å; R278-T340 HydrophobicContact CG-CG2 4.01Å; R278-S421 PolarHBondContact NH1-O 2.73Å; R278-S421 VanDerWaalsContact NH2-C 3.33Å; R278-S421 PolarHBondContact NH2-O 2.83Å; R278-V422 VanDerWaalsContact NH2-CA 3.28Å; R278-D426 IonicContact NE-OD2 3.27Å
279	E	85.5	Confident	91.9	Very high	35 Å²	35	53.9 Å²	53.9	16%	0.164	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.9	175.2	-59.1	76.7	-164	0	0	111.4	N277 V281 A345 N420	N277-E279 PolarHBondContact O-N 3.04Å; E279-V281 PolarHBondContact O-N 3.46Å; E279-A345 HydrophobicContact CB-CB 4.13Å; E279-N420 WeakPolarHBondContact OE1-CB 3.4Å; E279-N420 PolarHBondContact OE1-ND2 3.3Å
280	S	88.9	Confident	92	Very high	43 Å²	43	53 Å²	53	30%	0.301	29%	0.294	S	S	.	.			trans	-79.8	48.7	172.2	-54.7	0	0	0	0	112.1	N277 R278 P282 A283 R284	N277-S280 WeakPolarHBondContact O-CB 3.32Å; N277-S280 PolarHBondContact O-N 2.74Å; N277-S280 VanDerWaalsContact O-N 3.07Å; R278-S280 PolarHBondContact O-N 3.5Å; S280-P282 VanDerWaalsContact C-CD 3.49Å; S280-A283 PolarHBondContact O-N 2.77Å; S280-A283 VanDerWaalsContact O-N 3.09Å; S280-R284 PolarHBondContact O-N 3.48Å; S280-R284 VanDerWaalsContact O-N 3.13Å
281	V	90	Very high	92	Very high	42 Å²	42	53.5 Å²	53.5	26%	0.255	30%	0.296	S	S	.	.	H	α-helix	trans	-49.5	-48.6	-177.7	-177.6	0	0	0	0	112.4	R278 E279 A283 R284 T285 F333	R278-V281 VanDerWaalsContact O-CG2 3.3Å; R278-V281 WeakPolarHBondContact O-CG2 3.43Å; E279-V281 PolarHBondContact O-N 3.46Å; V281-A283 VanDerWaalsContact C-N 3.3Å; V281-A283 PolarHBondContact O-N 2.78Å; V281-R284 PolarHBondContact O-N 2.91Å; V281-T285 PolarHBondContact O-N 3.01Å; V281-T285 PolarHBondContact O-OG1 3.27Å; V281-F333 HydrophobicContact CG1-CE2 4.34Å; V281-F333 HydrophobicContact CG1-CZ 3.84Å
282	P	92.7	Very high	92	Very high	99 Å²	99	54 Å²	54	64%	0.643	30%	0.3	S	S	*	.	H	α-helix	trans	-60.9	-38.1	-179.2	-22.7	34.9	0	0	0	113	S280 V286	S280-P282 VanDerWaalsContact C-CD 3.49Å; P282-V286 WeakPolarHBondContact O-CG2 3.21Å; P282-V286 PolarHBondContact O-N 3.03Å
283	A	92	Very high	92.1	Very high	38 Å²	38	55.5 Å²	55.5	31%	0.314	31%	0.305	S	S	.	.	H	α-helix	trans	-68.7	-46.7	179.7	0	0	0	0	0	111.5	L276 S280 V281 T285 V286 F287	L276-A283 HydrophobicContact CD2-CB 3.55Å; S280-A283 PolarHBondContact O-N 2.77Å; S280-A283 VanDerWaalsContact O-N 3.09Å; V281-A283 VanDerWaalsContact C-N 3.3Å; V281-A283 PolarHBondContact O-N 2.78Å; A283-T285 VanDerWaalsContact C-N 3.34Å; A283-T285 PolarHBondContact O-N 3.14Å; A283-V286 PolarHBondContact O-N 3.48Å; A283-F287 VanDerWaalsContact O-CD2 3.28Å; A283-F287 WeakPolarHBondContact O-CD2 3.38Å; A283-F287 PolarHBondContact O-N 3.28Å
284	R	93.1	Very high	92.3	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-39.2	176.4	-71.7	-177	75.9	155.6	-9	112	L276 S280 V281 F287 G288 E332 F333 D426	L276-R284 HydrophobicContact CB-CG 4.25Å; L276-R284 HydrophobicContact CD2-CG 4.06Å; L276-R284 PolarHBondContact O-NH1 3.24Å; S280-R284 PolarHBondContact O-N 3.48Å; S280-R284 VanDerWaalsContact O-N 3.13Å; V281-R284 PolarHBondContact O-N 2.91Å; R284-F287 PolarHBondContact O-N 2.88Å; R284-G288 PolarHBondContact O-N 2.92Å; R284-E332 IonicContact NH2-OE1 2.81Å; R284-E332 IonicContact NH2-OE2 2.92Å; R284-E332 PolarHBondContact NH2-OE2 3.4Å; R284-F333 HydrophobicContact CB-CD1 4.44Å; R284-F333 HydrophobicContact CB-CD2 3.47Å; R284-F333 VanDerWaalsContact CB-CD2 3.47Å; R284-F333 HydrophobicContact CB-CE1 4.39Å; R284-F333 HydrophobicContact CB-CE2 3.41Å; R284-F333 VanDerWaalsContact CB-CE2 3.41Å; R284-F333 HydrophobicContact CB-CG 3.99Å; R284-F333 HydrophobicContact CB-CZ 3.88Å; R284-F333 HydrophobicContact CG-CD2 4.21Å; R284-F333 HydrophobicContact CG-CE2 4.32Å; R284-D426 IonicContact CZ-OD1 2.83Å; R284-D426 VanDerWaalsContact CZ-OD1 3.27Å; R284-D426 IonicContact NH1-OD1 2.75Å; R284-D426 PolarHBondContact NH1-OD1 3.37Å; R284-D426 IonicContact NH1-OD2 2.73Å; R284-D426 IonicContact NH2-OD1 3.74Å; R284-D426 PolarHBondContact NH2-OD1 3.46Å
285	T	93.1	Very high	92.4	Very high	56 Å²	56	57.8 Å²	57.8	34%	0.344	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-48.4	173.2	-56.1	0	0	0	0	111.8	V281 A283 G288 V289 F333	V281-T285 PolarHBondContact O-N 3.01Å; V281-T285 PolarHBondContact O-OG1 3.27Å; A283-T285 VanDerWaalsContact C-N 3.34Å; A283-T285 PolarHBondContact O-N 3.14Å; T285-G288 PolarHBondContact O-N 3.47Å; T285-V289 HydrophobicContact CG2-CG2 4.32Å; T285-V289 WeakPolarHBondContact O-CG2 3.3Å; T285-V289 PolarHBondContact O-N 3.43Å; T285-F333 VanDerWaalsContact OG1-CE1 3.24Å; T285-F333 WeakPolarHBondContact OG1-CE1 3.37Å; T285-F333 VanDerWaalsContact OG1-CZ 3.31Å; T285-F333 WeakPolarHBondContact OG1-CZ 3.5Å
286	V	94.8	Very high	92.5	Very high	90 Å²	90	52.2 Å²	52.2	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-62.9	-47.2	179.3	170.5	0	0	0	0	111	P282 A283 G288 V289 T290	P282-V286 WeakPolarHBondContact O-CG2 3.21Å; P282-V286 PolarHBondContact O-N 3.03Å; A283-V286 PolarHBondContact O-N 3.48Å; V286-G288 VanDerWaalsContact C-N 3.33Å; V286-G288 PolarHBondContact O-N 3.17Å; V286-V289 PolarHBondContact O-N 2.92Å; V286-T290 WeakPolarHBondContact O-CB 3.37Å; V286-T290 PolarHBondContact O-N 2.99Å; V286-T290 PolarHBondContact O-OG1 2.8Å; V286-T290 VanDerWaalsContact O-OG1 3.06Å
287	F	91.9	Very high	92.8	Very high	89 Å²	89	53.4 Å²	53.4	39%	0.39	31%	0.313	S	S	.	.	H	α-helix	trans	-55.6	-45.9	175.5	-87.6	-72.8	0	0	0	112.4	A283 R284 T291	A283-F287 VanDerWaalsContact O-CD2 3.28Å; A283-F287 WeakPolarHBondContact O-CD2 3.38Å; A283-F287 PolarHBondContact O-N 3.28Å; R284-F287 PolarHBondContact O-N 2.88Å; F287-T291 WeakPolarHBondContact O-CB 3.49Å; F287-T291 VanDerWaalsContact O-CG2 3.3Å; F287-T291 WeakPolarHBondContact O-CG2 3.42Å; F287-T291 PolarHBondContact O-N 3.16Å; F287-T291 VanDerWaalsContact O-N 3.08Å; F287-T291 PolarHBondContact O-OG1 3.06Å
288	G	92.1	Very high	93.1	Very high	7 Å²	7	50 Å²	50	7%	0.072	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-49.9	179.3	0	0	0	0	0	113.3	R284 T285 V286 T291 V292	R284-G288 PolarHBondContact O-N 2.92Å; T285-G288 PolarHBondContact O-N 3.47Å; V286-G288 VanDerWaalsContact C-N 3.33Å; V286-G288 PolarHBondContact O-N 3.17Å; G288-T291 PolarHBondContact O-OG1 3.34Å; G288-V292 WeakPolarHBondContact O-CG2 3.4Å; G288-V292 PolarHBondContact O-N 2.96Å
289	V	95	Very high	93.4	Very high	81 Å²	81	50.4 Å²	50.4	49%	0.491	30%	0.303	S	S	.	.	H	α-helix	trans	-68	-43.3	-178.4	175.6	0	0	0	0	111.6	T285 V286 V292 L293	T285-V289 HydrophobicContact CG2-CG2 4.32Å; T285-V289 WeakPolarHBondContact O-CG2 3.3Å; T285-V289 PolarHBondContact O-N 3.43Å; V286-V289 PolarHBondContact O-N 2.92Å; V289-V292 PolarHBondContact O-N 3.43Å; V289-L293 WeakPolarHBondContact O-CB 3.23Å; V289-L293 PolarHBondContact O-N 2.87Å
290	T	95.9	Very high	93.8	Very high	72 Å²	72	53.3 Å²	53.3	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-65	-41.6	179	-61.3	0	0	0	0	111.6	V286 L293 T294	V286-T290 WeakPolarHBondContact O-CB 3.37Å; V286-T290 PolarHBondContact O-N 2.99Å; V286-T290 PolarHBondContact O-OG1 2.8Å; V286-T290 VanDerWaalsContact O-OG1 3.06Å; T290-L293 PolarHBondContact O-N 2.96Å; T290-T294 WeakPolarHBondContact O-CB 3.42Å; T290-T294 PolarHBondContact O-N 2.82Å; T290-T294 PolarHBondContact O-OG1 3.45Å
291	T	95.7	Very high	94	Very high	10 Å²	10	54.6 Å²	54.6	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-66.9	-37.4	178	50.1	0	0	0	0	112.8	T266 L269 F287 G288 T294 M295 V326	T266-T291 HydrophobicContact CG2-CG2 4.29Å; L269-T291 HydrophobicContact CB-CG2 4.28Å; F287-T291 WeakPolarHBondContact O-CB 3.49Å; F287-T291 VanDerWaalsContact O-CG2 3.3Å; F287-T291 WeakPolarHBondContact O-CG2 3.42Å; F287-T291 PolarHBondContact O-N 3.16Å; F287-T291 VanDerWaalsContact O-N 3.08Å; F287-T291 PolarHBondContact O-OG1 3.06Å; G288-T291 PolarHBondContact O-OG1 3.34Å; T291-T294 PolarHBondContact O-N 3.2Å; T291-M295 WeakPolarHBondContact O-CB 3.45Å; T291-M295 PolarHBondContact O-N 3.1Å; T291-V326 WeakPolarHBondContact OG1-CG1 3.38Å
292	V	96	Very high	94.1	Very high	25 Å²	25	52.9 Å²	52.9	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-46.5	171.2	173	0	0	0	0	110.8	G288 V289 M295 T296 Y323 V326	G288-V292 WeakPolarHBondContact O-CG2 3.4Å; G288-V292 PolarHBondContact O-N 2.96Å; V289-V292 PolarHBondContact O-N 3.43Å; V292-M295 PolarHBondContact O-N 3.17Å; V292-T296 PolarHBondContact O-N 2.83Å; V292-T296 PolarHBondContact O-OG1 2.7Å; V292-Y323 HydrophobicContact CG1-CE2 4.34Å; V292-V326 HydrophobicContact CB-CG1 4.45Å; V292-V326 HydrophobicContact CG2-CG1 3.74Å
293	L	96.1	Very high	93.9	Very high	109 Å²	109	52.6 Å²	52.6	57%	0.571	30%	0.304	S	S	*	.	H	α-helix	trans	-61.7	-45.6	178	180	61.5	0	0	0	112.1	V289 T290 M295 T296 T297	V289-L293 WeakPolarHBondContact O-CB 3.23Å; V289-L293 PolarHBondContact O-N 2.87Å; T290-L293 PolarHBondContact O-N 2.96Å; L293-M295 VanDerWaalsContact C-N 3.32Å; L293-M295 PolarHBondContact O-N 3.12Å; L293-T296 WeakPolarHBondContact O-CB 3.36Å; L293-T296 PolarHBondContact O-N 2.95Å; L293-T297 PolarHBondContact O-N 3.2Å; L293-T297 PolarHBondContact O-OG1 3.2Å
294	T	96.2	Very high	93.7	Very high	56 Å²	56	57 Å²	57	34%	0.344	32%	0.322	S	S	.	.	H	α-helix	trans	-58.4	-43.7	175	-61.7	0	0	0	0	111.3	T266 T290 T291 T296 T297 L298	T266-T294 HydrophobicContact CG2-CG2 4.15Å; T290-T294 WeakPolarHBondContact O-CB 3.42Å; T290-T294 PolarHBondContact O-N 2.82Å; T290-T294 PolarHBondContact O-OG1 3.45Å; T291-T294 PolarHBondContact O-N 3.2Å; T294-T296 PolarHBondContact O-N 3.09Å; T294-T297 PolarHBondContact O-N 3.01Å; T294-L298 HydrophobicContact CG2-CD1 4.15Å; T294-L298 HydrophobicContact CG2-CG 4.46Å; T294-L298 WeakPolarHBondContact O-CG 3.45Å; T294-L298 PolarHBondContact O-N 3.31Å
295	M	95.1	Very high	93.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-38.7	178.2	-162.9	71.3	-151.5	0	0	112.2	C263 T291 V292 L293 L298 S299 I319 C322 Y323	C263-M295 HydrophobicContact CB-CE 4Å; C263-M295 HydrophobicContact CB-SD 4.39Å; C263-M295 VanDerWaalsContact SG-CE 3.51Å; T291-M295 WeakPolarHBondContact O-CB 3.45Å; T291-M295 PolarHBondContact O-N 3.1Å; V292-M295 PolarHBondContact O-N 3.17Å; L293-M295 VanDerWaalsContact C-N 3.32Å; L293-M295 PolarHBondContact O-N 3.12Å; M295-L298 PolarHBondContact O-N 3.23Å; M295-S299 WeakPolarHBondContact O-CB 3.43Å; M295-S299 PolarHBondContact O-N 3.46Å; M295-I319 HydrophobicContact CE-CB 4.25Å; M295-I319 HydrophobicContact CE-CG1 4.43Å; M295-I319 HydrophobicContact CE-CG2 3.87Å; M295-I319 WeakPolarHBondContact CE-O 3.48Å; M295-C322 HydrophobicContact CE-CB 3.46Å; M295-C322 VanDerWaalsContact CE-CB 3.46Å; M295-C322 HydrophobicContact SD-CB 4.01Å; M295-Y323 HydrophobicContact CB-CD2 4.04Å; M295-Y323 HydrophobicContact CG-CD2 3.71Å; M295-Y323 HydrophobicContact CG-CG 4.33Å
296	T	95.6	Very high	92.9	Very high	51 Å²	51	58.2 Å²	58.2	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-46.3	172.6	-56.3	0	0	0	0	111.4	V292 L293 T294 S299 I300	V292-T296 PolarHBondContact O-N 2.83Å; V292-T296 PolarHBondContact O-OG1 2.7Å; L293-T296 WeakPolarHBondContact O-CB 3.36Å; L293-T296 PolarHBondContact O-N 2.95Å; T294-T296 PolarHBondContact O-N 3.09Å; T296-S299 WeakPolarHBondContact O-CB 3.38Å; T296-S299 PolarHBondContact O-N 2.89Å; T296-I300 HydrophobicContact CG2-CD1 4.05Å; T296-I300 WeakPolarHBondContact O-CG1 3.08Å; T296-I300 PolarHBondContact O-N 2.94Å
297	T	95.6	Very high	92.7	Very high	82 Å²	82	54.4 Å²	54.4	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-43.1	177.7	-58.5	0	0	0	0	112.1	L293 T294 I300 S301	L293-T297 PolarHBondContact O-N 3.2Å; L293-T297 PolarHBondContact O-OG1 3.2Å; T294-T297 PolarHBondContact O-N 3.01Å; T297-I300 PolarHBondContact O-N 3.31Å; T297-S301 WeakPolarHBondContact O-CB 3.36Å; T297-S301 PolarHBondContact O-N 3.3Å
298	L	94.3	Very high	92.6	Very high	33 Å²	33	60.4 Å²	60.4	17%	0.173	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-41.5	175.4	-71.7	173.9	0	0	0	111.8	P262 T294 M295 S301 A302	P262-L298 HydrophobicContact CB-CD1 3.87Å; P262-L298 HydrophobicContact CB-CD2 3.87Å; T294-L298 HydrophobicContact CG2-CD1 4.15Å; T294-L298 HydrophobicContact CG2-CG 4.46Å; T294-L298 WeakPolarHBondContact O-CG 3.45Å; T294-L298 PolarHBondContact O-N 3.31Å; M295-L298 PolarHBondContact O-N 3.23Å; L298-S301 PolarHBondContact O-N 2.89Å; L298-A302 WeakPolarHBondContact O-CB 3.32Å; L298-A302 PolarHBondContact O-N 2.98Å
299	S	92.9	Very high	92.6	Very high	39 Å²	39	61.2 Å²	61.2	27%	0.273	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-45.8	176.5	-175.7	0	0	0	0	112.5	M295 T296 R303	M295-S299 WeakPolarHBondContact O-CB 3.43Å; M295-S299 PolarHBondContact O-N 3.46Å; T296-S299 WeakPolarHBondContact O-CB 3.38Å; T296-S299 PolarHBondContact O-N 2.89Å; S299-R303 WeakPolarHBondContact O-CB 3.34Å; S299-R303 WeakPolarHBondContact O-CG 3.37Å; S299-R303 PolarHBondContact O-N 3.38Å
300	I	93.6	Very high	92.5	Very high	95 Å²	95	62.9 Å²	62.9	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-44.7	177.5	-65.7	165.3	0	0	0	110.9	T296 T297 R303 N304	T296-I300 HydrophobicContact CG2-CD1 4.05Å; T296-I300 WeakPolarHBondContact O-CG1 3.08Å; T296-I300 PolarHBondContact O-N 2.94Å; T297-I300 PolarHBondContact O-N 3.31Å; I300-R303 PolarHBondContact O-N 3.31Å; I300-N304 VanDerWaalsContact O-CG 3.25Å; I300-N304 PolarHBondContact O-N 3.08Å; I300-N304 PolarHBondContact O-ND2 3.45Å
301	S	92.8	Very high	92.4	Very high	71 Å²	71	63.1 Å²	63.1	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-45.3	178.6	-174	0	0	0	0	112.2	T297 L298 N304 S305	T297-S301 WeakPolarHBondContact O-CB 3.36Å; T297-S301 PolarHBondContact O-N 3.3Å; L298-S301 PolarHBondContact O-N 2.89Å; S301-N304 PolarHBondContact O-N 2.72Å; S301-S305 PolarHBondContact O-OG 3.07Å
302	A	91.1	Very high	92.2	Very high	6 Å²	6	64.9 Å²	64.9	5%	0.05	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-51.3	174	0	0	0	0	0	110.9	T259 L298 N304 S305 L306 M315 I319	T259-A302 HydrophobicContact CG2-CB 3.97Å; L298-A302 WeakPolarHBondContact O-CB 3.32Å; L298-A302 PolarHBondContact O-N 2.98Å; A302-N304 VanDerWaalsContact C-N 3.33Å; A302-N304 PolarHBondContact O-N 3.2Å; A302-S305 WeakPolarHBondContact O-CB 3.43Å; A302-S305 PolarHBondContact O-N 2.93Å; A302-L306 WeakPolarHBondContact O-CD1 3.31Å; A302-M315 HydrophobicContact CB-SD 4.12Å; A302-I319 HydrophobicContact CB-CD1 3.68Å
303	R	88.4	Confident	92.2	Very high	93 Å²	93	63.7 Å²	63.7	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-59.9	-36.2	-179.5	-81.9	-58.8	-150.8	-172.7	-1.7	114.5	S299 I300 S305 L306 D316	S299-R303 WeakPolarHBondContact O-CB 3.34Å; S299-R303 WeakPolarHBondContact O-CG 3.37Å; S299-R303 PolarHBondContact O-N 3.38Å; I300-R303 PolarHBondContact O-N 3.31Å; R303-S305 PolarHBondContact O-N 3.25Å; R303-L306 PolarHBondContact O-N 3.34Å; R303-D316 IonicContact CZ-OD1 3.1Å; R303-D316 IonicContact CZ-OD2 2.82Å; R303-D316 IonicContact NE-OD1 3.94Å; R303-D316 PolarHBondContact NE-OD1 3.36Å; R303-D316 VanDerWaalsContact NE-OD1 3.1Å; R303-D316 VanDerWaalsContact NH1-CG 3.31Å; R303-D316 IonicContact NH1-OD1 3.92Å; R303-D316 PolarHBondContact NH1-OD1 3.49Å; R303-D316 VanDerWaalsContact NH1-OD1 3.12Å; R303-D316 IonicContact NH1-OD2 3.2Å; R303-D316 PolarHBondContact NH1-OD2 3.04Å; R303-D316 IonicContact NH2-OD1 3.12Å; R303-D316 PolarHBondContact NH2-OD1 3.08Å; R303-D316 IonicContact NH2-OD2 2.87Å; R303-D316 PolarHBondContact NH2-OD2 2.94Å
304	N	88.9	Confident	92.1	Very high	131 Å²	131	58.5 Å²	58.5	70%	0.701	34%	0.335	S	S	*	.	H	α-helix	trans	-65.9	-15.6	176.8	-71.4	-18	0	0	0	113.4	I300 S301 A302	I300-N304 VanDerWaalsContact O-CG 3.25Å; I300-N304 PolarHBondContact O-N 3.08Å; I300-N304 PolarHBondContact O-ND2 3.45Å; S301-N304 PolarHBondContact O-N 2.72Å; A302-N304 VanDerWaalsContact C-N 3.33Å; A302-N304 PolarHBondContact O-N 3.2Å
305	S	81.8	Confident	92	Very high	68 Å²	68	56 Å²	56	48%	0.476	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.6	178.3	-54.4	0	0	0	0	113.5	S301 A302 R303	S301-S305 PolarHBondContact O-OG 3.07Å; A302-S305 WeakPolarHBondContact O-CB 3.43Å; A302-S305 PolarHBondContact O-N 2.93Å; R303-S305 PolarHBondContact O-N 3.25Å
306	L	86.4	Confident	92	Very high	14 Å²	14	57 Å²	57	7%	0.073	32%	0.324	C	S	.	.	S	Bend	trans	-115	154	179.6	-74.2	83.1	0	0	0	111.7	F175 A302 R303 T313 M315	F175-L306 HydrophobicContact CD1-CD1 4.38Å; F175-L306 HydrophobicContact CD1-CD2 3.55Å; F175-L306 HydrophobicContact CD1-CG 4.11Å; F175-L306 HydrophobicContact CD2-CD2 4.44Å; F175-L306 HydrophobicContact CE1-CD1 3.62Å; F175-L306 HydrophobicContact CE1-CD2 3.59Å; F175-L306 HydrophobicContact CE1-CG 3.61Å; F175-L306 HydrophobicContact CE2-CD2 4.45Å; F175-L306 HydrophobicContact CE2-CG 4.25Å; F175-L306 HydrophobicContact CG-CD2 4Å; F175-L306 HydrophobicContact CZ-CD1 3.93Å; F175-L306 HydrophobicContact CZ-CD2 4.05Å; F175-L306 HydrophobicContact CZ-CG 3.68Å; A302-L306 WeakPolarHBondContact O-CD1 3.31Å; R303-L306 PolarHBondContact O-N 3.34Å; L306-T313 HydrophobicContact CD2-CG2 4.12Å; L306-M315 HydrophobicContact CD1-SD 4.37Å
307	P	91.4	Very high	92.1	Very high	10 Å²	10	61.6 Å²	61.6	7%	0.065	34%	0.336	C	S	.	.			trans	-57.5	153.2	160.1	25.4	-34.7	0	0	0	112.1	D84 L172 V309	D84-P307 WeakPolarHBondContact O-CG 3.32Å; L172-P307 HydrophobicContact CD1-CG 3.33Å; P307-V309 HydrophobicContact CG-CG1 4.49Å; P307-V309 PolarHBondContact O-N 2.87Å
308	K	89.5	Confident	92.1	Very high	215 Å²	215	57.7 Å²	57.7	94%	0.935	31%	0.312	S	S	*	.			trans	-76.2	81.9	176.3	-64.3	179.4	-176.8	175.6	0	111.2
309	V	92.3	Very high	92.2	Very high	25 Å²	25	56.4 Å²	56.4	15%	0.152	31%	0.306	C	S	.	.			trans	-83.4	146.8	170.4	-66.1	0	0	0	0	111.5	L172 P307 Y311 T313	L172-V309 HydrophobicContact CD1-CG1 4.1Å; P307-V309 HydrophobicContact CG-CG1 4.49Å; P307-V309 PolarHBondContact O-N 2.87Å; V309-Y311 VanDerWaalsContact C-N 3.33Å; V309-Y311 HydrophobicContact CB-CD1 4.36Å; V309-Y311 HydrophobicContact CB-CD2 4.27Å; V309-Y311 HydrophobicContact CB-CE1 4.03Å; V309-Y311 HydrophobicContact CB-CE2 3.93Å; V309-Y311 HydrophobicContact CB-CG 4.48Å; V309-Y311 HydrophobicContact CG1-CE1 4.25Å; V309-Y311 HydrophobicContact CG1-CE2 4.18Å; V309-Y311 HydrophobicContact CG2-CD2 4.16Å; V309-Y311 HydrophobicContact CG2-CE2 3.97Å; V309-T313 HydrophobicContact CG2-CG2 4.08Å
310	A	92.3	Very high	92.4	Very high	115 Å²	115	57.2 Å²	57.2	95%	0.95	31%	0.314	S	S	*	.	S	Bend	trans	-84.1	-4.7	-178.8	0	0	0	0	0	114.2
311	Y	93.8	Very high	92.6	Very high	78 Å²	78	54.6 Å²	54.6	31%	0.306	30%	0.303	S	S	.	.	S	Bend	trans	-111.9	159.2	-179.5	49.8	-101.3	0	0	0	111.7	L172 E173 V309	L172-Y311 HydrophobicContact CB-CE2 4.22Å; L172-Y311 PolarHBondContact N-OH 3.07Å; E173-Y311 HydrophobicContact CG-CD2 4.2Å; E173-Y311 HydrophobicContact CG-CE2 4.14Å; V309-Y311 VanDerWaalsContact C-N 3.33Å; V309-Y311 HydrophobicContact CB-CD1 4.36Å; V309-Y311 HydrophobicContact CB-CD2 4.27Å; V309-Y311 HydrophobicContact CB-CE1 4.03Å; V309-Y311 HydrophobicContact CB-CE2 3.93Å; V309-Y311 HydrophobicContact CB-CG 4.48Å; V309-Y311 HydrophobicContact CG1-CE1 4.25Å; V309-Y311 HydrophobicContact CG1-CE2 4.18Å; V309-Y311 HydrophobicContact CG2-CD2 4.16Å; V309-Y311 HydrophobicContact CG2-CE2 3.97Å
312	A	93.1	Very high	92.8	Very high	47 Å²	47	51.2 Å²	51.2	39%	0.388	28%	0.279	S	S	.	.			trans	-79.3	128.8	175.5	0	0	0	0	0	111.1	D316	A312-D316 HydrophobicContact CB-CB 4.44Å
313	T	94.9	Very high	93	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.293	C	S	.	.			trans	-85.9	165.1	174.1	69.8	0	0	0	0	111.5	L172 E173 F175 L306 V309 M315 D316 W317	L172-T313 WeakPolarHBondContact O-CB 3.46Å; L172-T313 VanDerWaalsContact O-CG2 3.23Å; L172-T313 WeakPolarHBondContact O-CG2 3.45Å; E173-T313 CarbonylContact O-C 3.42Å; E173-T313 WeakPolarHBondContact O-CA 3.47Å; F175-T313 HydrophobicContact CB-CG2 4.3Å; L306-T313 HydrophobicContact CD2-CG2 4.12Å; V309-T313 HydrophobicContact CG2-CG2 4.08Å; T313-M315 PolarHBondContact O-N 3.46Å; T313-M315 PolarHBondContact OG1-N 3.4Å; T313-D316 WeakPolarHBondContact CB-OD2 3.47Å; T313-D316 WeakPolarHBondContact CG2-OD2 3.29Å; T313-D316 PolarHBondContact N-OD2 3.45Å; T313-D316 WeakPolarHBondContact O-CB 3.45Å; T313-D316 PolarHBondContact O-N 3.29Å; T313-D316 PolarHBondContact OG1-N 3.4Å; T313-D316 PolarHBondContact OG1-OD2 3.06Å; T313-W317 VanDerWaalsContact O-CD1 3.3Å; T313-W317 PolarHBondContact O-N 3.01Å; T313-W317 VanDerWaalsContact O-N 3.14Å
314	A	94.8	Very high	93.5	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.3	-35.8	173.1	0	0	0	0	0	112.5	E173 M177 F318 Y444 Y448	E173-A314 PolarHBondContact O-N 3.18Å; M177-A314 HydrophobicContact CE-CB 4.24Å; A314-F318 PolarHBondContact O-N 2.95Å; A314-Y444 VanDerWaalsContact O-CE2 3.25Å; A314-Y444 WeakPolarHBondContact O-CE2 3.45Å; A314-Y444 PolarHBondContact O-OH 3.04Å; A314-Y448 HydrophobicContact CB-CD1 3.59Å; A314-Y448 HydrophobicContact CB-CD2 4.13Å; A314-Y448 HydrophobicContact CB-CE1 3.35Å; A314-Y448 HydrophobicContact CB-CE2 3.92Å; A314-Y448 HydrophobicContact CB-CG 3.98Å
315	M	94.5	Very high	93.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-40.1	173.2	-175.7	175.4	-67.3	0	0	112.5	F175 P176 F255 T259 Y260 A302 L306 T313 F318 I319	F175-M315 HydrophobicContact CD1-CB 4.29Å; F175-M315 HydrophobicContact CD1-CE 4Å; F175-M315 HydrophobicContact CD1-SD 4.46Å; F175-M315 HydrophobicContact CE1-CE 3.55Å; F175-M315 HydrophobicContact CE1-SD 4.04Å; F175-M315 PolarHBondContact O-N 3.5Å; F175-M315 VanDerWaalsContact O-N 3.08Å; P176-M315 HydrophobicContact CB-CE 4.37Å; P176-M315 HydrophobicContact CG-CE 3.74Å; F255-M315 HydrophobicContact CB-CE 3.88Å; F255-M315 HydrophobicContact CD1-CE 3.61Å; F255-M315 HydrophobicContact CE1-CE 4.41Å; F255-M315 HydrophobicContact CG-CE 3.9Å; T259-M315 HydrophobicContact CG2-CG 4.37Å; T259-M315 HydrophobicContact CG2-SD 4Å; Y260-M315 HydrophobicContact CE2-CE 4.23Å; A302-M315 HydrophobicContact CB-SD 4.12Å; L306-M315 HydrophobicContact CD1-SD 4.37Å; T313-M315 PolarHBondContact O-N 3.46Å; T313-M315 PolarHBondContact OG1-N 3.4Å; M315-F318 WeakPolarHBondContact O-CB 3.47Å; M315-F318 PolarHBondContact O-N 3.3Å; M315-F318 VanDerWaalsContact O-N 3.17Å; M315-I319 HydrophobicContact CG-CD1 3.83Å; M315-I319 HydrophobicContact CG-CG1 4.45Å; M315-I319 WeakPolarHBondContact O-CG1 3.26Å; M315-I319 PolarHBondContact O-N 2.98Å; M315-I319 HydrophobicContact SD-CD1 4.45Å
316	D	95.1	Very high	94.6	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.112	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-41.6	-179.6	-59.2	-45.9	0	0	0	111.7	R303 A312 T313 F318 I319 A320	R303-D316 IonicContact CZ-OD1 3.1Å; R303-D316 IonicContact CZ-OD2 2.82Å; R303-D316 IonicContact NE-OD1 3.94Å; R303-D316 PolarHBondContact NE-OD1 3.36Å; R303-D316 VanDerWaalsContact NE-OD1 3.1Å; R303-D316 VanDerWaalsContact NH1-CG 3.31Å; R303-D316 IonicContact NH1-OD1 3.92Å; R303-D316 PolarHBondContact NH1-OD1 3.49Å; R303-D316 VanDerWaalsContact NH1-OD1 3.12Å; R303-D316 IonicContact NH1-OD2 3.2Å; R303-D316 PolarHBondContact NH1-OD2 3.04Å; R303-D316 IonicContact NH2-OD1 3.12Å; R303-D316 PolarHBondContact NH2-OD1 3.08Å; R303-D316 IonicContact NH2-OD2 2.87Å; R303-D316 PolarHBondContact NH2-OD2 2.94Å; A312-D316 HydrophobicContact CB-CB 4.44Å; T313-D316 WeakPolarHBondContact CB-OD2 3.47Å; T313-D316 WeakPolarHBondContact CG2-OD2 3.29Å; T313-D316 PolarHBondContact N-OD2 3.45Å; T313-D316 WeakPolarHBondContact O-CB 3.45Å; T313-D316 PolarHBondContact O-N 3.29Å; T313-D316 PolarHBondContact OG1-N 3.4Å; T313-D316 PolarHBondContact OG1-OD2 3.06Å; D316-F318 VanDerWaalsContact C-N 3.29Å; D316-F318 PolarHBondContact O-N 3Å; D316-I319 PolarHBondContact O-N 3.47Å; D316-A320 VanDerWaalsContact O-CB 3.23Å; D316-A320 WeakPolarHBondContact O-CB 3.36Å; D316-A320 PolarHBondContact O-N 2.86Å
317	W	96	Very high	95.1	Very high	148 Å²	148	49.1 Å²	49.1	56%	0.561	26%	0.264	S	S	*	.	H	α-helix	trans	-60.1	-39.5	172.9	-76.3	109.7	0	0	0	112	T313 V321	T313-W317 VanDerWaalsContact O-CD1 3.3Å; T313-W317 PolarHBondContact O-N 3.01Å; T313-W317 VanDerWaalsContact O-N 3.14Å; W317-V321 WeakPolarHBondContact O-CB 3.17Å; W317-V321 VanDerWaalsContact O-CG2 3.32Å; W317-V321 WeakPolarHBondContact O-CG2 3.49Å; W317-V321 PolarHBondContact O-N 2.95Å
318	F	97	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-48.6	175.8	-168.8	-93.6	0	0	0	112.3	Y260 C263 I264 A314 M315 D316 V321 C322 F440 Y444	Y260-F318 AromaticContact CD1-CD1 3.53Å; Y260-F318 HydrophobicContact CD1-CD1 3.53Å; Y260-F318 HydrophobicContact CD1-CD2 4Å; Y260-F318 AromaticContact CD1-CE1 3.56Å; Y260-F318 HydrophobicContact CD1-CE1 3.56Å; Y260-F318 HydrophobicContact CD1-CE2 4.03Å; Y260-F318 AromaticContact CD1-CG 3.76Å; Y260-F318 HydrophobicContact CD1-CG 3.76Å; Y260-F318 AromaticContact CD1-CZ 3.83Å; Y260-F318 HydrophobicContact CD1-CZ 3.83Å; Y260-F318 HydrophobicContact CE1-CB 3.95Å; Y260-F318 AromaticContact CE1-CD1 3.78Å; Y260-F318 HydrophobicContact CE1-CD1 3.78Å; Y260-F318 AromaticContact CE1-CD2 3.9Å; Y260-F318 HydrophobicContact CE1-CD2 3.9Å; Y260-F318 HydrophobicContact CE1-CE1 4.26Å; Y260-F318 HydrophobicContact CE1-CE2 4.37Å; Y260-F318 AromaticContact CE1-CG 3.58Å; Y260-F318 HydrophobicContact CE1-CG 3.58Å; Y260-F318 HydrophobicContact CG-CE1 4.46Å; C263-F318 HydrophobicContact CB-CE1 3.98Å; I264-F318 HydrophobicContact CD1-CZ 4.06Å; I264-F318 HydrophobicContact CG1-CE1 4.29Å; I264-F318 HydrophobicContact CG1-CZ 3.75Å; A314-F318 PolarHBondContact O-N 2.95Å; M315-F318 WeakPolarHBondContact O-CB 3.47Å; M315-F318 PolarHBondContact O-N 3.3Å; M315-F318 VanDerWaalsContact O-N 3.17Å; D316-F318 VanDerWaalsContact C-N 3.29Å; D316-F318 PolarHBondContact O-N 3Å; F318-V321 PolarHBondContact O-N 3.3Å; F318-C322 WeakPolarHBondContact CE1-SG 3.3Å; F318-C322 WeakPolarHBondContact O-CB 3.35Å; F318-C322 PolarHBondContact O-N 3.04Å; F318-C322 PolarHBondContact O-SG 3.42Å; F318-F440 AromaticContact CD2-CE1 3.7Å; F318-F440 HydrophobicContact CD2-CE1 3.7Å; F318-F440 AromaticContact CD2-CZ 3.87Å; F318-F440 HydrophobicContact CD2-CZ 3.87Å; F318-F440 AromaticContact CE2-CE1 3.75Å; F318-F440 HydrophobicContact CE2-CE1 3.75Å; F318-F440 HydrophobicContact CE2-CZ 4.36Å; F318-Y444 HydrophobicContact CB-CD2 4.47Å; F318-Y444 HydrophobicContact CB-CE1 4.46Å; F318-Y444 HydrophobicContact CB-CE2 3.77Å; F318-Y444 AromaticContact CD2-CD1 3.79Å; F318-Y444 HydrophobicContact CD2-CD1 3.79Å; F318-Y444 HydrophobicContact CD2-CD2 4.01Å; F318-Y444 AromaticContact CD2-CE1 3.77Å; F318-Y444 HydrophobicContact CD2-CE1 3.77Å; F318-Y444 AromaticContact CD2-CE2 3.99Å; F318-Y444 HydrophobicContact CD2-CE2 3.99Å; F318-Y444 AromaticContact CD2-CG 3.92Å; F318-Y444 HydrophobicContact CD2-CG 3.92Å; F318-Y444 AromaticContact CD2-CZ 3.87Å; F318-Y444 HydrophobicContact CE2-CD1 4.23Å; F318-Y444 HydrophobicContact CE2-CE1 4.47Å; F318-Y444 HydrophobicContact CG-CE1 4.4Å; F318-Y444 HydrophobicContact CG-CE2 4.36Å
319	I	96.1	Very high	95.5	Very high	7 Å²	7	41 Å²	41	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-44.5	179.3	-70.6	171.5	0	0	0	110.6	T259 M295 A302 M315 D316 V321 C322 Y323	T259-I319 HydrophobicContact CG2-CD1 4.06Å; M295-I319 HydrophobicContact CE-CB 4.25Å; M295-I319 HydrophobicContact CE-CG1 4.43Å; M295-I319 HydrophobicContact CE-CG2 3.87Å; M295-I319 WeakPolarHBondContact CE-O 3.48Å; A302-I319 HydrophobicContact CB-CD1 3.68Å; M315-I319 HydrophobicContact CG-CD1 3.83Å; M315-I319 HydrophobicContact CG-CG1 4.45Å; M315-I319 WeakPolarHBondContact O-CG1 3.26Å; M315-I319 PolarHBondContact O-N 2.98Å; M315-I319 HydrophobicContact SD-CD1 4.45Å; D316-I319 PolarHBondContact O-N 3.47Å; I319-V321 PolarHBondContact O-N 3.43Å; I319-C322 PolarHBondContact O-N 3.21Å; I319-Y323 WeakPolarHBondContact O-CB 3.47Å; I319-Y323 PolarHBondContact O-N 2.98Å
320	A	96.4	Very high	95.6	Very high	55 Å²	55	42 Å²	42	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-62.7	-42.6	178.9	0	0	0	0	0	112.5	D316 Y323 A324	D316-A320 VanDerWaalsContact O-CB 3.23Å; D316-A320 WeakPolarHBondContact O-CB 3.36Å; D316-A320 PolarHBondContact O-N 2.86Å; A320-Y323 PolarHBondContact O-N 3.42Å; A320-A324 PolarHBondContact O-N 3.43Å
321	V	97.4	Very high	95.7	Very high	40 Å²	40	40.6 Å²	40.6	24%	0.242	21%	0.214	C	C	.	.	H	α-helix	trans	-68.6	-42.4	176.3	172.9	0	0	0	0	111.3	W317 F318 I319 Y323 A324 F325 F440	W317-V321 WeakPolarHBondContact O-CB 3.17Å; W317-V321 VanDerWaalsContact O-CG2 3.32Å; W317-V321 WeakPolarHBondContact O-CG2 3.49Å; W317-V321 PolarHBondContact O-N 2.95Å; F318-V321 PolarHBondContact O-N 3.3Å; I319-V321 PolarHBondContact O-N 3.43Å; V321-Y323 VanDerWaalsContact C-N 3.3Å; V321-Y323 PolarHBondContact O-N 3.14Å; V321-A324 WeakPolarHBondContact O-CB 3.41Å; V321-A324 PolarHBondContact O-N 3.08Å; V321-F325 HydrophobicContact CG1-CD2 3.8Å; V321-F325 HydrophobicContact CG1-CE2 3.62Å; V321-F325 VanDerWaalsContact O-CD2 3.29Å; V321-F325 WeakPolarHBondContact O-CD2 3.4Å; V321-F325 PolarHBondContact O-N 3.31Å; V321-F440 HydrophobicContact CB-CD2 4.47Å; V321-F440 HydrophobicContact CB-CE1 4.03Å; V321-F440 HydrophobicContact CB-CE2 3.9Å; V321-F440 HydrophobicContact CB-CZ 3.66Å; V321-F440 HydrophobicContact CG1-CD1 3.77Å; V321-F440 HydrophobicContact CG1-CD2 3.78Å; V321-F440 HydrophobicContact CG1-CE1 3.69Å; V321-F440 HydrophobicContact CG1-CE2 3.71Å; V321-F440 HydrophobicContact CG1-CG 3.82Å; V321-F440 HydrophobicContact CG1-CZ 3.67Å; V321-F440 HydrophobicContact CG2-CE2 3.87Å; V321-F440 HydrophobicContact CG2-CZ 4.07Å
322	C	97.7	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-43	173.4	-70	0	0	0	0	111.8	V267 M295 F318 I319 A324 F325 V326	V267-C322 HydrophobicContact CG2-CB 3.65Å; M295-C322 HydrophobicContact CE-CB 3.46Å; M295-C322 VanDerWaalsContact CE-CB 3.46Å; M295-C322 HydrophobicContact SD-CB 4.01Å; F318-C322 WeakPolarHBondContact CE1-SG 3.3Å; F318-C322 WeakPolarHBondContact O-CB 3.35Å; F318-C322 PolarHBondContact O-N 3.04Å; F318-C322 PolarHBondContact O-SG 3.42Å; I319-C322 PolarHBondContact O-N 3.21Å; C322-A324 PolarHBondContact O-N 3.43Å; C322-F325 PolarHBondContact O-N 2.92Å; C322-V326 WeakPolarHBondContact O-CG2 3.47Å; C322-V326 PolarHBondContact O-N 3.24Å
323	Y	96.4	Very high	95.8	Very high	89 Å²	89	35.8 Å²	35.8	35%	0.349	19%	0.187	S	C	.	.	H	α-helix	trans	-61.1	-43.6	175.2	-166.6	-80.2	0	0	0	111.9	V292 M295 I319 A320 V321 F325 V326 F327	V292-Y323 HydrophobicContact CG1-CE2 4.34Å; M295-Y323 HydrophobicContact CB-CD2 4.04Å; M295-Y323 HydrophobicContact CG-CD2 3.71Å; M295-Y323 HydrophobicContact CG-CG 4.33Å; I319-Y323 WeakPolarHBondContact O-CB 3.47Å; I319-Y323 PolarHBondContact O-N 2.98Å; A320-Y323 PolarHBondContact O-N 3.42Å; V321-Y323 VanDerWaalsContact C-N 3.3Å; V321-Y323 PolarHBondContact O-N 3.14Å; Y323-F325 PolarHBondContact O-N 2.92Å; Y323-V326 PolarHBondContact O-N 3.24Å; Y323-F327 WeakPolarHBondContact O-CB 3.47Å; Y323-F327 PolarHBondContact O-N 3.42Å
324	A	97.3	Very high	95.7	Very high	49 Å²	49	38.4 Å²	38.4	41%	0.405	21%	0.208	S	C	.	.	H	α-helix	trans	-59.8	-43.7	175.4	0	0	0	0	0	112.1	A320 V321 C322 F327 S328	A320-A324 PolarHBondContact O-N 3.43Å; V321-A324 WeakPolarHBondContact O-CB 3.41Å; V321-A324 PolarHBondContact O-N 3.08Å; C322-A324 PolarHBondContact O-N 3.43Å; A324-F327 PolarHBondContact O-N 2.87Å; A324-S328 WeakPolarHBondContact O-CB 3.43Å; A324-S328 PolarHBondContact O-N 2.86Å; A324-S328 PolarHBondContact O-OG 3.47Å
325	F	97.3	Very high	95.6	Very high	31 Å²	31	40.9 Å²	40.9	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-44.5	175.5	-84.7	-74.5	0	0	0	113	V267 V321 C322 Y323 S328 A329 F433 L436 F437	V267-F325 HydrophobicContact CG1-CB 4.02Å; V321-F325 HydrophobicContact CG1-CD2 3.8Å; V321-F325 HydrophobicContact CG1-CE2 3.62Å; V321-F325 VanDerWaalsContact O-CD2 3.29Å; V321-F325 WeakPolarHBondContact O-CD2 3.4Å; V321-F325 PolarHBondContact O-N 3.31Å; C322-F325 PolarHBondContact O-N 2.92Å; Y323-F325 PolarHBondContact O-N 2.92Å; F325-S328 PolarHBondContact O-N 3.44Å; F325-A329 PolarHBondContact O-N 3.16Å; F325-A329 VanDerWaalsContact O-N 3.07Å; F325-F433 HydrophobicContact CD1-CD1 4.13Å; F325-L436 HydrophobicContact CE1-CB 3.88Å; F325-L436 HydrophobicContact CZ-CB 3.9Å; F325-F437 HydrophobicContact CD1-CB 4.45Å; F325-F437 AromaticContact CD2-CD2 3.67Å; F325-F437 HydrophobicContact CD2-CD2 3.67Å; F325-F437 HydrophobicContact CD2-CE2 4.37Å; F325-F437 HydrophobicContact CE1-CB 4.13Å; F325-F437 HydrophobicContact CE2-CB 4.28Å; F325-F437 AromaticContact CE2-CD2 3.75Å; F325-F437 HydrophobicContact CE2-CD2 3.75Å; F325-F437 HydrophobicContact CG-CD2 4.26Å; F325-F437 HydrophobicContact CZ-CB 4.04Å; F325-F437 HydrophobicContact CZ-CD2 4.37Å
326	V	97.1	Very high	95.5	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-43.4	177.8	175.2	0	0	0	0	110.9	T266 V267 T291 V292 C322 Y323 A329 L330	T266-V326 HydrophobicContact CG2-CG2 4.46Å; V267-V326 HydrophobicContact CG2-CG2 3.97Å; T291-V326 WeakPolarHBondContact OG1-CG1 3.38Å; V292-V326 HydrophobicContact CB-CG1 4.45Å; V292-V326 HydrophobicContact CG2-CG1 3.74Å; C322-V326 WeakPolarHBondContact O-CG2 3.47Å; C322-V326 PolarHBondContact O-N 3.24Å; Y323-V326 PolarHBondContact O-N 3.24Å; V326-A329 WeakPolarHBondContact O-CB 3.42Å; V326-A329 PolarHBondContact O-N 3.27Å; V326-L330 PolarHBondContact O-N 3.4Å
327	F	96.3	Very high	95.3	Very high	99 Å²	99	43 Å²	43	43%	0.434	24%	0.235	S	C	.	.	H	α-helix	trans	-65.2	-40.3	176.3	-173.1	-111.2	0	0	0	112.3	Y323 A324 A329 L330 I331	Y323-F327 WeakPolarHBondContact O-CB 3.47Å; Y323-F327 PolarHBondContact O-N 3.42Å; A324-F327 PolarHBondContact O-N 2.87Å; F327-A329 VanDerWaalsContact C-N 3.28Å; F327-A329 PolarHBondContact O-N 3.36Å; F327-L330 WeakPolarHBondContact O-CB 3.44Å; F327-L330 PolarHBondContact O-N 2.96Å; F327-L330 VanDerWaalsContact O-N 3.13Å; F327-I331 HydrophobicContact CD1-CD1 3.88Å; F327-I331 HydrophobicContact CE1-CD1 3.62Å; F327-I331 HydrophobicContact CE1-CG1 4.37Å; F327-I331 HydrophobicContact CZ-CD1 4.3Å; F327-I331 PolarHBondContact O-N 3.37Å; F327-I331 VanDerWaalsContact O-N 3.12Å
328	S	95.9	Very high	95	Very high	50 Å²	50	45.2 Å²	45.2	35%	0.35	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-31.2	174.2	-66	0	0	0	0	113	A324 F325 L330 I331 E332	A324-S328 WeakPolarHBondContact O-CB 3.43Å; A324-S328 PolarHBondContact O-N 2.86Å; A324-S328 PolarHBondContact O-OG 3.47Å; F325-S328 PolarHBondContact O-N 3.44Å; S328-L330 VanDerWaalsContact C-N 3.34Å; S328-I331 PolarHBondContact O-N 3.02Å; S328-E332 WeakPolarHBondContact O-CB 3.27Å; S328-E332 PolarHBondContact O-N 3.13Å
329	A	94.8	Very high	94.6	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-67.2	-34.3	173.4	0	0	0	0	0	112.3	F274 F325 V326 F327 E332 F333 F433	F274-A329 HydrophobicContact CE1-CB 3.89Å; F274-A329 HydrophobicContact CZ-CB 3.66Å; F325-A329 PolarHBondContact O-N 3.16Å; F325-A329 VanDerWaalsContact O-N 3.07Å; V326-A329 WeakPolarHBondContact O-CB 3.42Å; V326-A329 PolarHBondContact O-N 3.27Å; F327-A329 VanDerWaalsContact C-N 3.28Å; F327-A329 PolarHBondContact O-N 3.36Å; A329-E332 PolarHBondContact O-N 3.36Å; A329-F333 PolarHBondContact O-N 2.89Å; A329-F333 VanDerWaalsContact O-N 3.09Å; A329-F433 HydrophobicContact CB-CE1 4.37Å
330	L	93.9	Very high	94	Very high	46 Å²	46	51.7 Å²	51.7	24%	0.241	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-38.6	173.1	-175.4	66.5	0	0	0	112	V326 F327 S328 F333 A334	V326-L330 PolarHBondContact O-N 3.4Å; F327-L330 WeakPolarHBondContact O-CB 3.44Å; F327-L330 PolarHBondContact O-N 2.96Å; F327-L330 VanDerWaalsContact O-N 3.13Å; S328-L330 VanDerWaalsContact C-N 3.34Å; L330-F333 HydrophobicContact CD1-CD1 4.31Å; L330-F333 PolarHBondContact O-N 3.31Å; L330-A334 PolarHBondContact O-N 3.49Å
331	I	95.1	Very high	93.1	Very high	85 Å²	85	58.2 Å²	58.2	44%	0.436	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-40.7	174.1	-65.1	173.8	0	0	0	111.4	F327 S328 F333 A334 T335	F327-I331 HydrophobicContact CD1-CD1 3.88Å; F327-I331 HydrophobicContact CE1-CD1 3.62Å; F327-I331 HydrophobicContact CE1-CG1 4.37Å; F327-I331 HydrophobicContact CZ-CD1 4.3Å; F327-I331 PolarHBondContact O-N 3.37Å; F327-I331 VanDerWaalsContact O-N 3.12Å; S328-I331 PolarHBondContact O-N 3.02Å; I331-F333 VanDerWaalsContact C-N 3.35Å; I331-F333 PolarHBondContact O-N 3.25Å; I331-A334 PolarHBondContact O-N 3.07Å; I331-T335 WeakPolarHBondContact O-CB 3.45Å; I331-T335 PolarHBondContact O-N 2.92Å; I331-T335 PolarHBondContact O-OG1 3.03Å
332	E	95.2	Very high	92.3	Very high	11 Å²	11	61.1 Å²	61.1	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-49.9	174.3	-171.4	-75.9	159.4	0	0	110.3	F274 R284 S328 A329 A334 T335 V336 I425 A429 F433	F274-E332 HydrophobicContact CD1-CG 4.28Å; F274-E332 VanDerWaalsContact CD1-OE2 3.3Å; F274-E332 WeakPolarHBondContact CD1-OE2 3.4Å; F274-E332 HydrophobicContact CE1-CB 3.95Å; F274-E332 HydrophobicContact CE1-CG 3.82Å; F274-E332 WeakPolarHBondContact CE1-OE2 3.39Å; F274-E332 HydrophobicContact CZ-CG 4.45Å; R284-E332 IonicContact NH2-OE1 2.81Å; R284-E332 IonicContact NH2-OE2 2.92Å; R284-E332 PolarHBondContact NH2-OE2 3.4Å; S328-E332 WeakPolarHBondContact O-CB 3.27Å; S328-E332 PolarHBondContact O-N 3.13Å; A329-E332 PolarHBondContact O-N 3.36Å; E332-A334 PolarHBondContact O-N 2.99Å; E332-T335 WeakPolarHBondContact O-CB 3.47Å; E332-T335 PolarHBondContact O-N 3.41Å; E332-T335 VanDerWaalsContact O-N 3.14Å; E332-V336 WeakPolarHBondContact O-CG2 3.38Å; E332-V336 PolarHBondContact O-N 2.84Å; E332-V336 WeakPolarHBondContact OE1-CG2 3.34Å; E332-I425 HydrophobicContact CG-CG2 4.14Å; E332-A429 HydrophobicContact CG-CB 3.83Å; E332-F433 HydrophobicContact CB-CZ 4.5Å
333	F	93.1	Very high	91.2	Very high	14 Å²	14	64.5 Å²	64.5	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-44.8	177.1	163.5	-117.1	0	0	0	112.4	V281 R284 T285 A329 L330 I331 T335 V336 N337	V281-F333 HydrophobicContact CG1-CE2 4.34Å; V281-F333 HydrophobicContact CG1-CZ 3.84Å; R284-F333 HydrophobicContact CB-CD1 4.44Å; R284-F333 HydrophobicContact CB-CD2 3.47Å; R284-F333 VanDerWaalsContact CB-CD2 3.47Å; R284-F333 HydrophobicContact CB-CE1 4.39Å; R284-F333 HydrophobicContact CB-CE2 3.41Å; R284-F333 VanDerWaalsContact CB-CE2 3.41Å; R284-F333 HydrophobicContact CB-CG 3.99Å; R284-F333 HydrophobicContact CB-CZ 3.88Å; R284-F333 HydrophobicContact CG-CD2 4.21Å; R284-F333 HydrophobicContact CG-CE2 4.32Å; T285-F333 VanDerWaalsContact OG1-CE1 3.24Å; T285-F333 WeakPolarHBondContact OG1-CE1 3.37Å; T285-F333 VanDerWaalsContact OG1-CZ 3.31Å; T285-F333 WeakPolarHBondContact OG1-CZ 3.5Å; A329-F333 PolarHBondContact O-N 2.89Å; A329-F333 VanDerWaalsContact O-N 3.09Å; L330-F333 HydrophobicContact CD1-CD1 4.31Å; L330-F333 PolarHBondContact O-N 3.31Å; I331-F333 VanDerWaalsContact C-N 3.35Å; I331-F333 PolarHBondContact O-N 3.25Å; F333-T335 PolarHBondContact O-N 3.35Å; F333-V336 PolarHBondContact O-N 2.97Å; F333-N337 HydrophobicContact CE2-CB 4.24Å; F333-N337 WeakPolarHBondContact O-CB 3.33Å; F333-N337 PolarHBondContact O-N 3.48Å
334	A	93.1	Very high	90.2	Very high	55 Å²	55	64.7 Å²	64.7	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-58.1	-40.1	176.1	0	0	0	0	0	111.7	L330 I331 E332 N337 Y338	L330-A334 PolarHBondContact O-N 3.49Å; I331-A334 PolarHBondContact O-N 3.07Å; E332-A334 PolarHBondContact O-N 2.99Å; A334-N337 PolarHBondContact O-N 3.19Å; A334-Y338 WeakPolarHBondContact O-CB 3.31Å; A334-Y338 PolarHBondContact O-N 3.24Å
335	T	92.6	Very high	89.3	Confident	52 Å²	52	64.6 Å²	64.6	32%	0.319	34%	0.335	S	S	.	.	H	α-helix	trans	-67.6	-44.9	177	-51.2	0	0	0	0	111.6	I331 E332 F333 N337 Y338 F339 I425	I331-T335 WeakPolarHBondContact O-CB 3.45Å; I331-T335 PolarHBondContact O-N 2.92Å; I331-T335 PolarHBondContact O-OG1 3.03Å; E332-T335 WeakPolarHBondContact O-CB 3.47Å; E332-T335 PolarHBondContact O-N 3.41Å; E332-T335 VanDerWaalsContact O-N 3.14Å; F333-T335 PolarHBondContact O-N 3.35Å; T335-N337 VanDerWaalsContact C-N 3.35Å; T335-N337 PolarHBondContact O-N 3.26Å; T335-Y338 PolarHBondContact O-N 3.44Å; T335-F339 HydrophobicContact CG2-CD2 4.04Å; T335-F339 HydrophobicContact CG2-CE2 3.8Å; T335-F339 WeakPolarHBondContact O-CD2 3.47Å; T335-F339 PolarHBondContact O-N 2.84Å; T335-I425 HydrophobicContact CG2-CD1 3.74Å
336	V	91.8	Very high	88.2	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.012	36%	0.356	C	S	.	.	H	α-helix	trans	-62.1	-42.5	175.4	170.2	0	0	0	0	111.3	R278 E332 F333 F339 T340 I425	R278-V336 HydrophobicContact CB-CG1 3.71Å; R278-V336 HydrophobicContact CG-CG1 4.49Å; E332-V336 WeakPolarHBondContact O-CG2 3.38Å; E332-V336 PolarHBondContact O-N 2.84Å; E332-V336 WeakPolarHBondContact OE1-CG2 3.34Å; F333-V336 PolarHBondContact O-N 2.97Å; V336-F339 PolarHBondContact O-N 3.1Å; V336-T340 PolarHBondContact O-N 3.17Å; V336-T340 VanDerWaalsContact O-N 3.16Å; V336-T340 PolarHBondContact O-OG1 3.3Å; V336-I425 HydrophobicContact CG2-CB 4.06Å; V336-I425 HydrophobicContact CG2-CG2 4.1Å
337	N	90.1	Very high	87.2	Confident	66 Å²	66	74.7 Å²	74.7	35%	0.353	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-43.1	177.8	-166.7	30.3	0	0	0	111.2	F333 A334 T335 F339 T340	F333-N337 HydrophobicContact CE2-CB 4.24Å; F333-N337 WeakPolarHBondContact O-CB 3.33Å; F333-N337 PolarHBondContact O-N 3.48Å; A334-N337 PolarHBondContact O-N 3.19Å; T335-N337 VanDerWaalsContact C-N 3.35Å; T335-N337 PolarHBondContact O-N 3.26Å; N337-F339 VanDerWaalsContact C-N 3.29Å; N337-F339 PolarHBondContact O-N 3.24Å; N337-T340 VanDerWaalsContact O-CB 3.26Å; N337-T340 WeakPolarHBondContact O-CB 3.37Å; N337-T340 PolarHBondContact O-N 2.66Å
338	Y	90.1	Very high	86	Confident	194 Å²	194	72.2 Å²	72.2	76%	0.761	38%	0.38	S	S	*	.	H	α-helix	trans	-58	-38.1	175.6	-176	-99.3	0	0	0	113.3	A334 T335 T340	A334-Y338 WeakPolarHBondContact O-CB 3.31Å; A334-Y338 PolarHBondContact O-N 3.24Å; T335-Y338 PolarHBondContact O-N 3.44Å; Y338-T340 VanDerWaalsContact C-N 3.32Å; Y338-T340 PolarHBondContact O-N 2.78Å
339	F	88.4	Confident	84.7	Confident	117 Å²	117	78.2 Å²	78.2	51%	0.513	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4.4	175	-66.4	-62.9	0	0	0	114.4	T335 V336 N337 K341 I425	T335-F339 HydrophobicContact CG2-CD2 4.04Å; T335-F339 HydrophobicContact CG2-CE2 3.8Å; T335-F339 WeakPolarHBondContact O-CD2 3.47Å; T335-F339 PolarHBondContact O-N 2.84Å; V336-F339 PolarHBondContact O-N 3.1Å; N337-F339 VanDerWaalsContact C-N 3.29Å; N337-F339 PolarHBondContact O-N 3.24Å; F339-K341 PolarHBondContact O-N 3.05Å; F339-I425 HydrophobicContact CD2-CD1 3.89Å; F339-I425 HydrophobicContact CE2-CD1 4.23Å
340	T	85	Confident	82.7	Confident	26 Å²	26	82.4 Å²	82.4	16%	0.16	43%	0.43	C	S	.	.			trans	-84.2	100.6	179.1	-63.3	0	0	0	0	110.9	R278 V336 N337 Y338 R342	R278-T340 WeakPolarHBondContact CD-OG1 3.3Å; R278-T340 HydrophobicContact CG-CG2 4.01Å; V336-T340 PolarHBondContact O-N 3.17Å; V336-T340 VanDerWaalsContact O-N 3.16Å; V336-T340 PolarHBondContact O-OG1 3.3Å; N337-T340 VanDerWaalsContact O-CB 3.26Å; N337-T340 WeakPolarHBondContact O-CB 3.37Å; N337-T340 PolarHBondContact O-N 2.66Å; Y338-T340 VanDerWaalsContact C-N 3.32Å; Y338-T340 PolarHBondContact O-N 2.78Å; T340-R342 VanDerWaalsContact C-N 3.34Å; T340-R342 WeakPolarHBondContact CG2-O 3.2Å; T340-R342 PolarHBondContact O-N 3.14Å
341	K	77.4	Confident	81	Confident	191 Å²	191	85.8 Å²	85.8	83%	0.83	45%	0.452	S	S	*	.			trans	-78.1	-11	-174.8	-60.2	-172.2	178.6	-172.5	0	115	F339	F339-K341 PolarHBondContact O-N 3.05Å
342	R	78.9	Confident	78.6	Confident	101 Å²	101	87.2 Å²	87.2	38%	0.381	46%	0.464	S	S	.	.			trans	-148.5	134	-173.6	-62.5	175.6	175.9	146.7	-1.3	110.6	T340 Y344 T418 N420	T340-R342 VanDerWaalsContact C-N 3.34Å; T340-R342 WeakPolarHBondContact CG2-O 3.2Å; T340-R342 PolarHBondContact O-N 3.14Å; R342-Y344 HydrophobicContact CB-CD1 4.4Å; R342-Y344 HydrophobicContact CB-CE1 4.17Å; R342-Y344 HydrophobicContact CG-CE1 4.36Å; R342-T418 WeakPolarHBondContact CD-O 3.47Å; R342-T418 VanDerWaalsContact CZ-OG1 3.29Å; R342-T418 PolarHBondContact NH1-O 3.5Å; R342-T418 PolarHBondContact NH1-OG1 3.13Å; R342-T418 PolarHBondContact NH2-OG1 2.7Å; R342-N420 PolarHBondContact O-ND2 2.76Å
343	G	74.6	Confident	76.2	Confident	71 Å²	71	91.4 Å²	91.4	73%	0.732	49%	0.492	S	S	*	.			trans	-93.1	-0	-176.6	0	0	0	0	0	116.7
344	Y	76.8	Confident	73.5	Confident	93 Å²	93	99.6 Å²	99.6	37%	0.365	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-92.9	133.1	178.5	57.9	-98.3	0	0	0	112.1	R342 T418 F419	R342-Y344 HydrophobicContact CB-CD1 4.4Å; R342-Y344 HydrophobicContact CB-CE1 4.17Å; R342-Y344 HydrophobicContact CG-CE1 4.36Å; Y344-T418 PolarHBondContact OH-O 3.12Å; Y344-F419 HydrophobicContact CD2-CD1 4.14Å; Y344-F419 HydrophobicContact CD2-CE1 4.2Å; Y344-F419 AromaticContact CE2-CD1 3.98Å; Y344-F419 HydrophobicContact CE2-CD1 3.98Å; Y344-F419 HydrophobicContact CE2-CE1 4.14Å
345	A	77.4	Confident	70.8	Confident	48 Å²	48	106.5 Å²	106.5	40%	0.397	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-71.2	173.8	177.3	0	0	0	0	0	112.7	E279 F419	E279-A345 HydrophobicContact CB-CB 4.13Å; A345-F419 WeakPolarHBondContact O-CE1 3.45Å
346	W	75.3	Confident	68.2	Low	153 Å²	153	112.4 Å²	112.4	58%	0.58	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-81.2	117.8	176.6	-177.9	64.5	0	0	0	111.7	G348 F419	W346-G348 VanDerWaalsContact CH2-O 3.3Å; W346-G348 WeakPolarHBondContact CH2-O 3.44Å; W346-G348 PolarHBondContact O-N 3.08Å; W346-F419 HydrophobicContact CB-CD1 4.2Å; W346-F419 AromaticContact CD1-CD1 3.78Å; W346-F419 AromaticContact CD1-CD2 3.57Å; W346-F419 AromaticContact CD1-CE1 3.9Å; W346-F419 AromaticContact CD1-CE2 3.69Å; W346-F419 AromaticContact CD1-CG 3.6Å; W346-F419 AromaticContact CD1-CZ 3.85Å; W346-F419 HydrophobicContact CG-CD1 4.42Å; W346-F419 HydrophobicContact CG-CG 4.49Å
347	D	74.5	Confident	65.4	Low	91 Å²	91	122.5 Å²	122.5	49%	0.487	62%	0.618	S	S	.	*			trans	-70.6	14.7	-172.6	-68.8	-27.1	0	0	0	115	K349 K417	D347-K349 PolarHBondContact O-N 2.96Å; D347-K417 IonicContact OD2-NZ 3.21Å; D347-K417 PolarHBondContact OD2-NZ 3.32Å
348	G	71.8	Confident	62.8	Low	46 Å²	46	128.2 Å²	128.2	47%	0.474	64%	0.64	S	S	.	*	S	Bend	trans	71.2	-19	179.6	0	0	0	0	0	116.3	W346	W346-G348 VanDerWaalsContact CH2-O 3.3Å; W346-G348 WeakPolarHBondContact CH2-O 3.44Å; W346-G348 PolarHBondContact O-N 3.08Å
349	K	68.4	Low	60.1	Low	177 Å²	177	128.5 Å²	128.5	77%	0.77	65%	0.645	S	S	*	*			trans	-107.6	110.6	-174.8	-61.8	176.9	-175.4	178.2	0	110.1	D347 V351	D347-K349 PolarHBondContact O-N 2.96Å; K349-V351 PolarHBondContact O-N 3.43Å
350	S	54	Low	57.3	Low	92 Å²	92	130.8 Å²	130.8	64%	0.643	66%	0.655	S	S	*	*			trans	-73.3	120.7	174	48.1	0	0	0	0	110.7	V352	S350-V352 PolarHBondContact O-N 3.48Å
351	V	57.5	Low	54.7	Low	116 Å²	116	136.5 Å²	136.5	70%	0.703	68%	0.68	S	S	*	*			trans	-69.9	101.6	166.8	-178.4	0	0	0	0	107.5	K349 P353	K349-V351 PolarHBondContact O-N 3.43Å; V351-P353 WeakPolarHBondContact O-CD 3.48Å
352	V	44.8	Very low	52.4	Low	115 Å²	115	131.7 Å²	131.7	70%	0.697	67%	0.67	S	S	*	*			trans	-61.2	123.8	173.8	178.8	0	0	0	0	108.2	S350 E354	S350-V352 PolarHBondContact O-N 3.48Å; V352-E354 PolarHBondContact O-N 2.85Å
353	P	44.6	Very low	50.3	Low	99 Å²	99	134.3 Å²	134.3	64%	0.643	69%	0.691	S	S	*	*			trans	-72.9	103.9	175.5	28.8	-32.1	0	0	0	109	V351 K355	V351-P353 WeakPolarHBondContact O-CD 3.48Å; P353-K355 PolarHBondContact O-N 3.43Å
354	E	36.2	Very low	48.3	Very low	187 Å²	187	139.3 Å²	139.3	87%	0.874	70%	0.7	S	S	*	*			trans	-56.5	109.8	172.5	-168.3	175.4	-169	0	0	109.6	V352 Q356	V352-E354 PolarHBondContact O-N 2.85Å; E354-Q356 PolarHBondContact O-N 3.17Å
355	K	36.3	Very low	46.2	Very low	199 Å²	199	143.9 Å²	143.9	87%	0.865	72%	0.722	S	S	*	*			trans	-68.2	120.1	-179.1	-87.8	-175.8	174	178.9	0	109.4	P353 K357	P353-K355 PolarHBondContact O-N 3.43Å; K355-K357 PolarHBondContact O-N 3.04Å
356	Q	37.5	Very low	43.9	Very low	177 Å²	177	150 Å²	150	83%	0.827	74%	0.739	S	S	*	*			trans	-51.6	106.9	175	-66.3	174.1	-19.4	0	0	111.8	E354 K358	E354-Q356 PolarHBondContact O-N 3.17Å; Q356-K358 VanDerWaalsContact C-N 3.32Å; Q356-K358 PolarHBondContact O-N 3.27Å
357	K	33.4	Very low	41.6	Very low	214 Å²	214	148.6 Å²	148.6	93%	0.93	74%	0.743	S	S	*	*			trans	-74.3	83.8	164.2	-91.8	-173.9	172.7	179.1	0	109.9	K355 K359	K355-K357 PolarHBondContact O-N 3.04Å; K357-K359 PolarHBondContact O-N 3.16Å
358	K	34.8	Very low	39.3	Very low	186 Å²	186	150.3 Å²	150.3	81%	0.809	75%	0.752	S	S	*	*			trans	-89.9	97.3	168.2	-106.1	-174.9	176.2	-179.1	0	111.4	Q356	Q356-K358 VanDerWaalsContact C-N 3.32Å; Q356-K358 PolarHBondContact O-N 3.27Å
359	K	35.4	Very low	37.3	Very low	199 Å²	199	153.2 Å²	153.2	87%	0.865	76%	0.761	S	S	*	*			trans	36.8	108.6	133.8	-160	179.2	-170.1	-179.3	0	118.5	K357	K357-K359 PolarHBondContact O-N 3.16Å
360	K	27.7	Very low	35.4	Very low	165 Å²	165	151.2 Å²	151.2	72%	0.717	76%	0.764	S	S	*	*			trans	-148.9	126.2	139.7	-121.5	-174.8	176.2	-83.1	0	109.7
361	E	30.8	Very low	34.1	Very low	147 Å²	147	151.7 Å²	151.7	69%	0.687	77%	0.773	S	S	*	*			trans	53	146.4	141.1	-70.3	152.9	-167.4	0	0	121.1
362	S	29	Very low	32.7	Very low	90 Å²	90	157 Å²	157	63%	0.629	78%	0.782	S	S	*	*			cis	-170.3	167.3	-17.1	58.5	0	0	0	0	109.1
363	L	35	Very low	32.9	Very low	155 Å²	155	156.6 Å²	156.6	81%	0.812	78%	0.782	S	S	*	*			trans	60.8	101	160.4	-57.7	165.5	0	0	0	118.2
364	L	33.3	Very low	33.1	Very low	176 Å²	176	156.4 Å²	156.4	92%	0.921	78%	0.781	S	S	*	*				-161.4	149.5	102.6	-127.4	76.6	0	0	0	111.2
365	K	32.3	Very low	32.8	Very low	189 Å²	189	153.2 Å²	153.2	82%	0.822	77%	0.774	S	S	*	*			trans	-104.7	148.2	178.6	-105.4	177.8	177.2	173	0	110.2
366	K	28.6	Very low	32.3	Very low	176 Å²	176	149.9 Å²	149.9	77%	0.765	77%	0.771	S	S	*	*			trans	68.9	129.2	147.4	-81.8	-166.7	165.7	-173.5	0	120.3
367	N	27.3	Very low	32	Very low	124 Å²	124	145.6 Å²	145.6	66%	0.663	77%	0.766	S	S	*	*			trans	73.7	143.5	134.8	-67.3	36.6	0	0	0	117.2
368	N	27.6	Very low	32.1	Very low	127 Å²	127	141.3 Å²	141.3	68%	0.679	76%	0.758	S	S	*	*			cis	-155.2	149.6	22.1	-124.7	7.5	0	0	0	113.4
369	T	28.7	Very low	32.3	Very low	107 Å²	107	137.7 Å²	137.7	66%	0.656	75%	0.753	S	S	*	*			trans	41.4	118.8	145.1	50.7	0	0	0	0	124
370	T	28	Very low	32	Very low	135 Å²	135	137.7 Å²	137.7	83%	0.828	75%	0.754	S	S	*	*			trans	54.1	117.6	132.2	60.3	0	0	0	0	122.2
371	A	27.9	Very low	32.3	Very low	102 Å²	102	133.9 Å²	133.9	84%	0.843	75%	0.753	S	S	*	*				-173.4	132.5	107.9	0	0	0	0	0	112.6
372	Y	26.6	Very low	32.8	Very low	228 Å²	228	132.5 Å²	132.5	89%	0.894	76%	0.756	S	S	*	*			trans	-93.1	176.2	159.2	-87.1	-92.3	0	0	0	107.7
373	P	50.4	Low	33.2	Very low	107 Å²	107	135.8 Å²	135.8	70%	0.695	77%	0.767	S	S	*	*			cis	-138.6	-132.2	-39.6	39.8	-18.5	0	0	0	109.1
374	P	47.8	Very low	33.6	Very low	95 Å²	95	134.3 Å²	134.3	62%	0.617	77%	0.767	S	S	*	*			cis	-132.6	-176.1	-30.5	32.3	-12	0	0	0	115
375	T	29.6	Very low	33.3	Very low	119 Å²	119	130.5 Å²	130.5	73%	0.73	76%	0.76	S	S	*	*			trans	69.1	153.3	147.9	40.2	0	0	0	0	118.2
376	T	27.2	Very low	33.1	Very low	129 Å²	129	133 Å²	133	79%	0.791	77%	0.765	S	S	*	*			cis	-155.8	167.5	20.2	-18.8	0	0	0	0	112.6
377	A	30.2	Very low	33.3	Very low	88 Å²	88	132.1 Å²	132.1	73%	0.727	77%	0.768	S	S	*	*			trans	75.1	97.5	144.8	0	0	0	0	0	121.2
378	T	35.3	Very low	34	Very low	124 Å²	124	132.4 Å²	132.4	76%	0.761	78%	0.777	S	S	*	*				-54.4	162.6	129.1	42.6	0	0	0	0	110.9
379	P	40.2	Very low	34.2	Very low	110 Å²	110	129.6 Å²	129.6	71%	0.714	78%	0.778	S	S	*	*				-154.3	171.7	54.7	39.5	-15.7	0	0	0	120.6
380	F	29.4	Very low	34.2	Very low	199 Å²	199	133.4 Å²	133.4	87%	0.873	79%	0.794	S	S	*	*			trans	7.8	153.7	141.5	-64.2	-95.3	0	0	0	119.9
381	A	33.4	Very low	34.3	Very low	84 Å²	84	131 Å²	131	69%	0.694	79%	0.788	S	S	*	*			cis	-169.4	-156.9	29	0	0	0	0	0	109.8
382	P	40.2	Very low	34.4	Very low	118 Å²	118	133.2 Å²	133.2	77%	0.766	79%	0.791	S	S	*	*			cis	-132.3	168.3	-36.5	33.8	-16.1	0	0	0	114.7
383	N	37.6	Very low	34.7	Very low	159 Å²	159	130 Å²	130	85%	0.85	79%	0.787	S	S	*	*			trans	-77.3	160.3	157.9	-83.3	-25	0	0	0	111.1
384	P	43.5	Very low	33.7	Very low	125 Å²	125	129.4 Å²	129.4	81%	0.812	79%	0.792	S	S	*	*				-150.1	177.1	104.6	34.1	-15.4	0	0	0	113.4
385	A	27.9	Very low	32.9	Very low	95 Å²	95	134.9 Å²	134.9	79%	0.785	81%	0.805	S	S	*	*			cis	-168.9	156.1	-29.7	0	0	0	0	0	107.3
386	R	27.7	Very low	32.9	Very low	242 Å²	242	135.3 Å²	135.3	91%	0.913	81%	0.813	S	S	*	*			trans	-155.8	130.1	164	-144.8	174.3	-173.7	171.6	1.9	112.9
387	N	31.9	Very low	33.1	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	81%	0.814	S	S	*	*			trans	-159.3	164.8	169	-93.6	-26.7	0	0	0	105.5
388	P	43.2	Very low	33.3	Very low	130 Å²	130	135.7 Å²	135.7	84%	0.844	82%	0.819	S	S	*	*			cis	-117.5	-173.6	17.8	34.2	-15	0	0	0	112.3
389	G	30.9	Very low	33.6	Very low	69 Å²	69	135.5 Å²	135.5	71%	0.711	82%	0.82	S	S	*	*			cis	133.8	126.2	-2.8	0	0	0	0	0	112.1
390	L	30.4	Very low	33.3	Very low	187 Å²	187	136 Å²	136	98%	0.979	82%	0.823	S	S	*	*			trans	-156	150.8	160.1	-149.5	74.8	0	0	0	109.8
391	A	29.1	Very low	33.7	Very low	85 Å²	85	132.7 Å²	132.7	70%	0.702	82%	0.821	S	S	*	*			trans	-130.5	161.1	-163	0	0	0	0	0	113.5
392	T	30.6	Very low	33.6	Very low	147 Å²	147	136.3 Å²	136.3	90%	0.902	83%	0.829	S	S	*	*			trans	-143.3	145.5	152.4	-38	0	0	0	0	110.3
393	I	31.7	Very low	33.3	Very low	161 Å²	161	139.3 Å²	139.3	83%	0.826	83%	0.833	S	S	*	*			trans	-112.4	139.3	-168.6	-64.7	161.6	0	0	0	110.5
394	A	29.7	Very low	33.2	Very low	95 Å²	95	137.8 Å²	137.8	79%	0.785	83%	0.832	S	S	*	*			trans	-157.5	101.1	155	0	0	0	0	0	114.7
395	K	32.3	Very low	32.6	Very low	209 Å²	209	141.5 Å²	141.5	91%	0.909	84%	0.835	S	S	*	*			trans	53.3	119.5	142.6	-64.4	-178.4	176.9	179.2	0	121.8
396	S	29	Very low	32.9	Very low	128 Å²	128	144.3 Å²	144.3	90%	0.895	83%	0.832	S	S	*	*			trans	-83	155.2	164.5	-37.2	0	0	0	0	113.2
397	A	31.8	Very low	33.3	Very low	97 Å²	97	141 Å²	141	80%	0.802	83%	0.827	S	S	*	*			trans	-147	141.5	159	0	0	0	0	0	110.2
398	P	33.8	Very low	33.5	Very low	128 Å²	128	139.5 Å²	139.5	83%	0.831	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-86	169.3	179.7	-8.1	27.6	0	0	0	114.4
399	P	42.1	Very low	33.2	Very low	120 Å²	120	141 Å²	141	78%	0.779	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-103.9	161.6	-164.6	39.8	-35.8	0	0	0	116.1
400	P	33.8	Very low	33.6	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-101.8	170.3	156.3	35.5	-24.8	0	0	0	112.1
401	P	36.2	Very low	33.8	Very low	129 Å²	129	144 Å²	144	84%	0.838	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-94.4	170	-130.5	-2.8	21.3	0	0	0	118.1
402	D	33.2	Very low	34.3	Very low	161 Å²	161	145.1 Å²	145.1	86%	0.861	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.5	135.5	175.8	-65.6	-78.5	0	0	0	114.6
403	E	33.1	Very low	34.9	Very low	181 Å²	181	144.1 Å²	144.1	85%	0.846	81%	0.814	S	S	*	*			trans	-113	158.6	153.1	-85.3	-168	161.2	0	0	110.3
404	P	35.6	Very low	35.9	Very low	127 Å²	127	145.6 Å²	145.6	83%	0.825	82%	0.817	S	S	*	*			trans	-68.8	142.2	-156.6	-22.1	34.4	0	0	0	115.4	E406	P404-E406 PolarHBondContact O-N 3.26Å
405	K	30.1	Very low	36.9	Very low	202 Å²	202	145.3 Å²	145.3	88%	0.878	82%	0.815	S	S	*	*			trans	-65.8	111	173.2	-68.7	173.7	-179.7	169.1	0	111.3
406	E	34.8	Very low	38	Very low	154 Å²	154	143.8 Å²	143.8	72%	0.72	81%	0.808	S	S	*	*			trans	-70.8	134.3	162.3	-155.4	-171.3	164.6	0	0	109.2	P404 K409	P404-E406 PolarHBondContact O-N 3.26Å; E406-K409 IonicContact OE1-NZ 3.35Å; E406-K409 PolarHBondContact OE1-NZ 3.47Å
407	E	35.8	Very low	39.7	Very low	173 Å²	173	143.6 Å²	143.6	81%	0.808	79%	0.791	S	S	*	*			trans	-64.3	136.1	178.3	-68.6	-174.1	134.2	0	0	111.2	K409	E407-K409 PolarHBondContact O-N 2.99Å
408	P	36.7	Very low	41.4	Very low	126 Å²	126	142.3 Å²	142.3	82%	0.818	77%	0.774	S	S	*	*			trans	-70.4	103.3	-179.4	28.4	-33.9	0	0	0	110.8
409	K	36.2	Very low	43.3	Very low	160 Å²	160	139 Å²	139	70%	0.696	75%	0.746	S	S	*	*			trans	-45.4	134.5	168.2	-72.5	164.1	177.9	129	0	109.9	E406 E407 K411	E406-K409 IonicContact OE1-NZ 3.35Å; E406-K409 PolarHBondContact OE1-NZ 3.47Å; E407-K409 PolarHBondContact O-N 2.99Å; K409-K411 PolarHBondContact O-N 2.79Å
410	P	39.1	Very low	45	Very low	126 Å²	126	134.9 Å²	134.9	82%	0.818	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-61.5	125.8	-173.6	23.9	-33.4	0	0	0	110.7
411	K	36	Very low	47	Very low	193 Å²	193	133.8 Å²	133.8	84%	0.839	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-56	135.4	174.4	-71.6	-179.8	177.1	178.4	0	109.4	K409	K409-K411 PolarHBondContact O-N 2.79Å
412	P	38.8	Very low	49	Very low	110 Å²	110	130.8 Å²	130.8	71%	0.714	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-59.7	146	171.9	26.5	-33.6	0	0	0	109.5	E414	P412-E414 PolarHBondContact O-N 2.87Å
413	P	44.1	Very low	51.4	Low	126 Å²	126	124 Å²	124	82%	0.818	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59.9	132.7	-175.1	24.5	-34.1	0	0	0	110.7	A415	P413-A415 PolarHBondContact O-N 3.45Å
414	E	51.6	Low	54	Low	191 Å²	191	123.7 Å²	123.7	89%	0.893	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-54.8	116.9	179.6	-69.4	-170.3	162.1	0	0	110.4	P412 K416	P412-E414 PolarHBondContact O-N 2.87Å; E414-K416 PolarHBondContact O-N 3.14Å; E414-K416 VanDerWaalsContact O-N 3.12Å
415	A	50.9	Low	56.6	Low	90 Å²	90	120.2 Å²	120.2	74%	0.744	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-59.8	119.6	176.5	0	0	0	0	0	108.7	P413 K417	P413-A415 PolarHBondContact O-N 3.45Å; A415-K417 PolarHBondContact O-N 3.48Å
416	K	55	Low	59.5	Low	176 Å²	176	110.8 Å²	110.8	77%	0.765	59%	0.586	S	S	*	*			trans	-49.5	105.4	-178.5	-69.3	179.7	178	178.8	0	110.2	E414 T418	E414-K416 PolarHBondContact O-N 3.14Å; E414-K416 VanDerWaalsContact O-N 3.12Å; K416-T418 PolarHBondContact O-N 2.96Å; K416-T418 VanDerWaalsContact O-N 3.09Å
417	K	64.9	Low	62.2	Low	124 Å²	124	110.8 Å²	110.8	54%	0.539	58%	0.58	S	S	.	*			trans	-54.8	118	174.1	-72.9	-175.6	174.1	-177.5	0	108.1	D347 A415 F419	D347-K417 IonicContact OD2-NZ 3.21Å; D347-K417 PolarHBondContact OD2-NZ 3.32Å; A415-K417 PolarHBondContact O-N 3.48Å; K417-F419 HydrophobicContact CB-CE2 4.48Å; K417-F419 HydrophobicContact CB-CZ 4.28Å
418	T	67.9	Low	64.9	Low	70 Å²	70	108.2 Å²	108.2	43%	0.429	57%	0.57	S	S	.	*			trans	-113.3	119.5	180	39.2	0	0	0	0	108.8	R342 Y344 K416	R342-T418 WeakPolarHBondContact CD-O 3.47Å; R342-T418 VanDerWaalsContact CZ-OG1 3.29Å; R342-T418 PolarHBondContact NH1-O 3.5Å; R342-T418 PolarHBondContact NH1-OG1 3.13Å; R342-T418 PolarHBondContact NH2-OG1 2.7Å; Y344-T418 PolarHBondContact OH-O 3.12Å; K416-T418 PolarHBondContact O-N 2.96Å; K416-T418 VanDerWaalsContact O-N 3.09Å
419	F	74	Confident	67.6	Low	59 Å²	59	102.4 Å²	102.4	26%	0.259	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-86.4	162.9	-174.6	-57.6	-82.1	0	0	0	111.8	Y344 A345 W346 K417 S421	Y344-F419 HydrophobicContact CD2-CD1 4.14Å; Y344-F419 HydrophobicContact CD2-CE1 4.2Å; Y344-F419 AromaticContact CE2-CD1 3.98Å; Y344-F419 HydrophobicContact CE2-CD1 3.98Å; Y344-F419 HydrophobicContact CE2-CE1 4.14Å; A345-F419 WeakPolarHBondContact O-CE1 3.45Å; W346-F419 HydrophobicContact CB-CD1 4.2Å; W346-F419 AromaticContact CD1-CD1 3.78Å; W346-F419 AromaticContact CD1-CD2 3.57Å; W346-F419 AromaticContact CD1-CE1 3.9Å; W346-F419 AromaticContact CD1-CE2 3.69Å; W346-F419 AromaticContact CD1-CG 3.6Å; W346-F419 AromaticContact CD1-CZ 3.85Å; W346-F419 HydrophobicContact CG-CD1 4.42Å; W346-F419 HydrophobicContact CG-CG 4.49Å; K417-F419 HydrophobicContact CB-CE2 4.48Å; K417-F419 HydrophobicContact CB-CZ 4.28Å; F419-S421 PolarHBondContact O-N 2.76Å
420	N	76.3	Confident	70.4	Confident	33 Å²	33	97.5 Å²	97.5	18%	0.176	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-72.3	124.5	175.9	-61.9	-39.5	0	0	0	110.3	E279 R342	E279-N420 WeakPolarHBondContact OE1-CB 3.4Å; E279-N420 PolarHBondContact OE1-ND2 3.3Å; R342-N420 PolarHBondContact O-ND2 2.76Å
421	S	77.4	Confident	73.1	Confident	99 Å²	99	97.4 Å²	97.4	69%	0.692	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-70.3	143.7	169.8	54.1	0	0	0	0	110.5	R278 F419 S423	R278-S421 PolarHBondContact NH1-O 2.73Å; R278-S421 VanDerWaalsContact NH2-C 3.33Å; R278-S421 PolarHBondContact NH2-O 2.83Å; F419-S421 PolarHBondContact O-N 2.76Å; S421-S423 PolarHBondContact O-N 3.43Å
422	V	76.7	Confident	75.9	Confident	66 Å²	66	89.7 Å²	89.7	40%	0.4	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-47.7	128.4	-179.2	-174.1	0	0	0	0	110.8	R278 K424 R427	R278-V422 VanDerWaalsContact NH2-CA 3.28Å; V422-K424 PolarHBondContact O-N 2.75Å; V422-R427 HydrophobicContact CG1-CG 3.85Å
423	S	83.8	Confident	78.6	Confident	17 Å²	17	86.1 Å²	86.1	12%	0.119	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-59.8	139.1	-177.9	-169.1	0	0	0	0	110.6	S421 I425 D426 R427	S421-S423 PolarHBondContact O-N 3.43Å; S423-I425 PolarHBondContact O-N 3.47Å; S423-I425 PolarHBondContact OG-N 3.27Å; S423-D426 WeakPolarHBondContact CB-OD2 3.39Å; S423-R427 WeakPolarHBondContact O-CG 3.46Å; S423-R427 PolarHBondContact O-N 3.09Å
424	K	89.1	Confident	81.1	Confident	176 Å²	176	82.7 Å²	82.7	77%	0.765	43%	0.425	S	S	*	.	H	α-helix	trans	-62.2	-30.8	170	-67.5	-174.9	179.2	-177.7	0	110.9	V422 R427 I428	V422-K424 PolarHBondContact O-N 2.75Å; K424-R427 PolarHBondContact O-N 2.99Å; K424-I428 WeakPolarHBondContact O-CD1 3.3Å; K424-I428 VanDerWaalsContact O-CG1 3.31Å; K424-I428 WeakPolarHBondContact O-CG1 3.33Å; K424-I428 PolarHBondContact O-N 3Å; K424-I428 VanDerWaalsContact O-N 3.13Å
425	I	89.7	Confident	83.2	Confident	54 Å²	54	79.1 Å²	79.1	28%	0.277	41%	0.411	S	S	.	.	H	α-helix	trans	-66.8	-56.5	179.1	-52	176.7	0	0	0	109.7	E332 T335 V336 F339 S423 R427 I428 A429	E332-I425 HydrophobicContact CG-CG2 4.14Å; T335-I425 HydrophobicContact CG2-CD1 3.74Å; V336-I425 HydrophobicContact CG2-CB 4.06Å; V336-I425 HydrophobicContact CG2-CG2 4.1Å; F339-I425 HydrophobicContact CD2-CD1 3.89Å; F339-I425 HydrophobicContact CE2-CD1 4.23Å; S423-I425 PolarHBondContact O-N 3.47Å; S423-I425 PolarHBondContact OG-N 3.27Å; I425-R427 PolarHBondContact O-N 3.07Å; I425-R427 VanDerWaalsContact O-N 3.16Å; I425-I428 PolarHBondContact O-N 2.88Å; I425-A429 WeakPolarHBondContact O-CB 3.45Å; I425-A429 PolarHBondContact O-N 3.01Å
426	D	90.3	Very high	85.5	Confident	3 Å²	3	79.7 Å²	79.7	2%	0.016	40%	0.401	C	S	.	.	H	α-helix	trans	-49.9	-44.3	174.6	-70.1	-62.3	0	0	0	111.5	R278 R284 S423 I428 A429 R430	R278-D426 IonicContact NE-OD2 3.27Å; R284-D426 IonicContact CZ-OD1 2.83Å; R284-D426 VanDerWaalsContact CZ-OD1 3.27Å; R284-D426 IonicContact NH1-OD1 2.75Å; R284-D426 PolarHBondContact NH1-OD1 3.37Å; R284-D426 IonicContact NH1-OD2 2.73Å; R284-D426 IonicContact NH2-OD1 3.74Å; R284-D426 PolarHBondContact NH2-OD1 3.46Å; S423-D426 WeakPolarHBondContact CB-OD2 3.39Å; D426-I428 PolarHBondContact O-N 2.94Å; D426-A429 PolarHBondContact O-N 3.13Å; D426-R430 WeakPolarHBondContact O-CB 3.38Å; D426-R430 WeakPolarHBondContact O-CD 3.4Å; D426-R430 WeakPolarHBondContact O-CG 3.48Å; D426-R430 PolarHBondContact O-N 3.25Å
427	R	91.3	Very high	87.5	Confident	155 Å²	155	71.9 Å²	71.9	59%	0.585	37%	0.367	S	S	*	.	H	α-helix	trans	-63.1	-39.5	-179.9	-75.8	-176.3	177.6	-154.4	-1.6	113.4	V422 S423 K424 I425	V422-R427 HydrophobicContact CG1-CG 3.85Å; S423-R427 WeakPolarHBondContact O-CG 3.46Å; S423-R427 PolarHBondContact O-N 3.09Å; K424-R427 PolarHBondContact O-N 2.99Å; I425-R427 PolarHBondContact O-N 3.07Å; I425-R427 VanDerWaalsContact O-N 3.16Å
428	I	93.1	Very high	89	Confident	118 Å²	118	67.5 Å²	67.5	61%	0.605	36%	0.357	S	S	*	.	H	α-helix	trans	-74.2	-45.1	177.7	-66.9	164.9	0	0	0	109.6	K424 I425 D426 R430 I431 A432	K424-I428 WeakPolarHBondContact O-CD1 3.3Å; K424-I428 VanDerWaalsContact O-CG1 3.31Å; K424-I428 WeakPolarHBondContact O-CG1 3.33Å; K424-I428 PolarHBondContact O-N 3Å; K424-I428 VanDerWaalsContact O-N 3.13Å; I425-I428 PolarHBondContact O-N 2.88Å; D426-I428 PolarHBondContact O-N 2.94Å; I428-R430 VanDerWaalsContact C-N 3.32Å; I428-R430 PolarHBondContact O-N 3.42Å; I428-I431 PolarHBondContact O-N 3.34Å; I428-I431 VanDerWaalsContact O-N 3.07Å; I428-A432 HydrophobicContact CG2-CB 4.32Å; I428-A432 WeakPolarHBondContact O-CB 3.38Å; I428-A432 PolarHBondContact O-N 3.35Å
429	A	94	Very high	90.4	Very high	5 Å²	5	67.5 Å²	67.5	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-42.5	-179.3	0	0	0	0	0	112.6	F274 E332 I425 D426 I431 A432 F433	F274-A429 HydrophobicContact CD1-CB 4.36Å; F274-A429 HydrophobicContact CD2-CB 4.11Å; F274-A429 HydrophobicContact CE1-CB 4.44Å; F274-A429 HydrophobicContact CE2-CB 4.18Å; F274-A429 HydrophobicContact CG-CB 4.21Å; F274-A429 HydrophobicContact CZ-CB 4.35Å; E332-A429 HydrophobicContact CG-CB 3.83Å; I425-A429 WeakPolarHBondContact O-CB 3.45Å; I425-A429 PolarHBondContact O-N 3.01Å; D426-A429 PolarHBondContact O-N 3.13Å; A429-I431 PolarHBondContact O-N 3.32Å; A429-I431 VanDerWaalsContact O-N 3.08Å; A429-A432 PolarHBondContact O-N 3.3Å; A429-F433 HydrophobicContact CB-CD2 4.06Å; A429-F433 HydrophobicContact CB-CE2 4.17Å; A429-F433 WeakPolarHBondContact O-CB 3.5Å; A429-F433 PolarHBondContact O-N 3.37Å
430	R	94.4	Very high	91.6	Very high	57 Å²	57	66.7 Å²	66.7	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-55.1	-23.3	175.6	-75.7	168.9	-165.6	-157.3	1.8	115.1	F274 W275 D426 I428 P434	F274-R430 HydrophobicContact CB-CG 3.82Å; F274-R430 PolarHBondContact O-NE 2.94Å; F274-R430 PolarHBondContact O-NH2 3.06Å; W275-R430 HydrophobicContact CD2-CG 4.41Å; W275-R430 HydrophobicContact CZ2-CB 4.41Å; W275-R430 HydrophobicContact CZ2-CG 4.31Å; D426-R430 WeakPolarHBondContact O-CB 3.38Å; D426-R430 WeakPolarHBondContact O-CD 3.4Å; D426-R430 WeakPolarHBondContact O-CG 3.48Å; D426-R430 PolarHBondContact O-N 3.25Å; I428-R430 VanDerWaalsContact C-N 3.32Å; I428-R430 PolarHBondContact O-N 3.42Å; R430-P434 WeakPolarHBondContact O-CG 3.43Å
431	I	94.9	Very high	92.6	Very high	123 Å²	123	66.1 Å²	66.1	63%	0.631	35%	0.351	S	S	*	.	H	α-helix	trans	-107.2	-46.2	179.6	-56.8	175.4	0	0	0	110.1	I428 A429 L435	I428-I431 PolarHBondContact O-N 3.34Å; I428-I431 VanDerWaalsContact O-N 3.07Å; A429-I431 PolarHBondContact O-N 3.32Å; A429-I431 VanDerWaalsContact O-N 3.08Å; I431-L435 WeakPolarHBondContact O-CB 3.07Å; I431-L435 PolarHBondContact O-N 2.97Å
432	A	95.4	Very high	93.5	Very high	32 Å²	32	67.7 Å²	67.7	26%	0.264	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-45	-174.9	0	0	0	0	0	113	I428 A429 L435 L436	I428-A432 HydrophobicContact CG2-CB 4.32Å; I428-A432 WeakPolarHBondContact O-CB 3.38Å; I428-A432 PolarHBondContact O-N 3.35Å; A429-A432 PolarHBondContact O-N 3.3Å; A432-L435 PolarHBondContact O-N 3.24Å; A432-L436 VanDerWaalsContact O-CB 3.3Å; A432-L436 WeakPolarHBondContact O-CB 3.49Å; A432-L436 WeakPolarHBondContact O-CG 3.38Å; A432-L436 PolarHBondContact O-N 3.2Å
433	F	95.8	Very high	94.4	Very high	34 Å²	34	68.6 Å²	68.6	15%	0.149	36%	0.356	C	S	.	.	H	α-helix	trans	-66.7	-49.5	-176.9	-83.1	-116.2	0	0	0	112.8	Q271 F274 F325 A329 E332 A429 L435 F437	Q271-F433 HydrophobicContact CG-CB 4.08Å; F274-F433 HydrophobicContact CE2-CB 3.81Å; F274-F433 AromaticContact CE2-CD1 3.91Å; F274-F433 HydrophobicContact CE2-CD1 3.91Å; F274-F433 HydrophobicContact CE2-CD2 4.04Å; F274-F433 HydrophobicContact CE2-CE1 4.46Å; F274-F433 AromaticContact CE2-CG 3.67Å; F274-F433 HydrophobicContact CE2-CG 3.67Å; F274-F433 AromaticContact CZ-CD1 3.81Å; F274-F433 HydrophobicContact CZ-CD1 3.81Å; F274-F433 HydrophobicContact CZ-CD2 4.16Å; F274-F433 AromaticContact CZ-CE1 3.91Å; F274-F433 HydrophobicContact CZ-CE1 3.91Å; F274-F433 HydrophobicContact CZ-CE2 4.25Å; F274-F433 AromaticContact CZ-CG 3.94Å; F274-F433 HydrophobicContact CZ-CG 3.94Å; F274-F433 HydrophobicContact CZ-CZ 4.13Å; F325-F433 HydrophobicContact CD1-CD1 4.13Å; A329-F433 HydrophobicContact CB-CE1 4.37Å; E332-F433 HydrophobicContact CB-CZ 4.5Å; A429-F433 HydrophobicContact CB-CD2 4.06Å; A429-F433 HydrophobicContact CB-CE2 4.17Å; A429-F433 WeakPolarHBondContact O-CB 3.5Å; A429-F433 PolarHBondContact O-N 3.37Å; F433-L435 VanDerWaalsContact C-N 3.33Å; F433-L435 PolarHBondContact O-N 3.49Å; F433-F437 WeakPolarHBondContact O-CB 3.36Å; F433-F437 PolarHBondContact O-N 3.48Å
434	P	96.5	Very high	95	Very high	55 Å²	55	68.1 Å²	68.1	36%	0.357	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-39.8	175.2	-23.4	32.7	0	0	0	112.9	R430 G438	R430-P434 WeakPolarHBondContact O-CG 3.43Å; P434-G438 PolarHBondContact O-N 2.72Å
435	L	96.9	Very high	95.4	Very high	115 Å²	115	62.6 Å²	62.6	60%	0.602	33%	0.326	S	S	*	.	H	α-helix	trans	-64.5	-50.3	179.6	-175.7	68.9	0	0	0	111.4	I431 A432 F433 F437 G438 T439	I431-L435 WeakPolarHBondContact O-CB 3.07Å; I431-L435 PolarHBondContact O-N 2.97Å; A432-L435 PolarHBondContact O-N 3.24Å; F433-L435 VanDerWaalsContact C-N 3.33Å; F433-L435 PolarHBondContact O-N 3.49Å; L435-F437 VanDerWaalsContact C-N 3.35Å; L435-F437 PolarHBondContact O-N 3.33Å; L435-G438 PolarHBondContact O-N 3.16Å; L435-T439 PolarHBondContact O-N 3.01Å; L435-T439 PolarHBondContact O-OG1 3.37Å
436	L	97.4	Very high	95.6	Very high	103 Å²	103	62.5 Å²	62.5	54%	0.539	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-41.1	178.5	-71.7	170.2	0	0	0	111.8	F325 A432 T439 F440	F325-L436 HydrophobicContact CE1-CB 3.88Å; F325-L436 HydrophobicContact CZ-CB 3.9Å; A432-L436 VanDerWaalsContact O-CB 3.3Å; A432-L436 WeakPolarHBondContact O-CB 3.49Å; A432-L436 WeakPolarHBondContact O-CG 3.38Å; A432-L436 PolarHBondContact O-N 3.2Å; L436-T439 PolarHBondContact O-N 3.26Å; L436-F440 WeakPolarHBondContact O-CB 3.17Å; L436-F440 PolarHBondContact O-N 3.02Å
437	F	97.7	Very high	95.8	Very high	11 Å²	11	66 Å²	66	5%	0.048	36%	0.355	C	S	.	.	H	α-helix	trans	-68.7	-37.7	176.8	-172.5	-119.7	0	0	0	112.2	I264 V267 F325 F433 L435 F440 N441	I264-F437 HydrophobicContact CG1-CE1 4.4Å; I264-F437 HydrophobicContact CG1-CZ 4.13Å; I264-F437 HydrophobicContact CG2-CE1 4.3Å; V267-F437 HydrophobicContact CB-CD1 4.45Å; V267-F437 HydrophobicContact CB-CE1 3.94Å; V267-F437 HydrophobicContact CB-CE2 4.28Å; V267-F437 HydrophobicContact CB-CZ 3.85Å; V267-F437 HydrophobicContact CG1-CD1 3.72Å; V267-F437 HydrophobicContact CG1-CD2 3.9Å; V267-F437 HydrophobicContact CG1-CE1 3.71Å; V267-F437 HydrophobicContact CG1-CE2 3.9Å; V267-F437 HydrophobicContact CG1-CG 3.81Å; V267-F437 HydrophobicContact CG1-CZ 3.8Å; V267-F437 HydrophobicContact CG2-CE2 4.12Å; V267-F437 HydrophobicContact CG2-CZ 3.97Å; F325-F437 HydrophobicContact CD1-CB 4.45Å; F325-F437 AromaticContact CD2-CD2 3.67Å; F325-F437 HydrophobicContact CD2-CD2 3.67Å; F325-F437 HydrophobicContact CD2-CE2 4.37Å; F325-F437 HydrophobicContact CE1-CB 4.13Å; F325-F437 HydrophobicContact CE2-CB 4.28Å; F325-F437 AromaticContact CE2-CD2 3.75Å; F325-F437 HydrophobicContact CE2-CD2 3.75Å; F325-F437 HydrophobicContact CG-CD2 4.26Å; F325-F437 HydrophobicContact CZ-CB 4.04Å; F325-F437 HydrophobicContact CZ-CD2 4.37Å; F433-F437 WeakPolarHBondContact O-CB 3.36Å; F433-F437 PolarHBondContact O-N 3.48Å; L435-F437 VanDerWaalsContact C-N 3.35Å; L435-F437 PolarHBondContact O-N 3.33Å; F437-F440 HydrophobicContact CD2-CD1 4.01Å; F437-F440 AromaticContact CE2-CD1 3.99Å; F437-F440 HydrophobicContact CE2-CD1 3.99Å; F437-F440 HydrophobicContact CE2-CE1 4.36Å; F437-F440 PolarHBondContact O-N 2.99Å; F437-N441 WeakPolarHBondContact CE1-ND2 3.49Å; F437-N441 WeakPolarHBondContact CE2-ND2 3.28Å; F437-N441 VanDerWaalsContact CZ-ND2 3.3Å; F437-N441 WeakPolarHBondContact CZ-ND2 3.22Å; F437-N441 PolarHBondContact O-N 3.44Å; F437-N441 PolarHBondContact O-ND2 3.47Å
438	G	97.4	Very high	95.8	Very high	32 Å²	32	60.7 Å²	60.7	33%	0.33	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-47.9	172.4	0	0	0	0	0	112.3	P434 L435 F440 N441 L442	P434-G438 PolarHBondContact O-N 2.72Å; L435-G438 PolarHBondContact O-N 3.16Å; G438-F440 VanDerWaalsContact C-N 3.35Å; G438-F440 PolarHBondContact O-N 2.95Å; G438-N441 PolarHBondContact O-N 3.3Å; G438-L442 WeakPolarHBondContact O-CG 3.3Å; G438-L442 PolarHBondContact O-N 2.84Å
439	T	97.1	Very high	95.7	Very high	71 Å²	71	60 Å²	60	44%	0.436	33%	0.332	S	S	.	.	H	α-helix	trans	-59.6	-44	174.5	-56.2	0	0	0	0	111.6	L435 L436 N441 L442 V443	L435-T439 PolarHBondContact O-N 3.01Å; L435-T439 PolarHBondContact O-OG1 3.37Å; L436-T439 PolarHBondContact O-N 3.26Å; T439-N441 PolarHBondContact O-N 2.78Å; T439-L442 PolarHBondContact O-N 2.92Å; T439-V443 WeakPolarHBondContact O-CG2 3.2Å; T439-V443 PolarHBondContact O-N 3.01Å
440	F	97.6	Very high	95.4	Very high	41 Å²	41	65.8 Å²	65.8	18%	0.18	36%	0.362	C	S	.	.	H	α-helix	trans	-57.7	-48.1	174.9	166.2	-107.3	0	0	0	112.1	F318 V321 L436 F437 G438 L442 V443 Y444	F318-F440 AromaticContact CD2-CE1 3.7Å; F318-F440 HydrophobicContact CD2-CE1 3.7Å; F318-F440 AromaticContact CD2-CZ 3.87Å; F318-F440 HydrophobicContact CD2-CZ 3.87Å; F318-F440 AromaticContact CE2-CE1 3.75Å; F318-F440 HydrophobicContact CE2-CE1 3.75Å; F318-F440 HydrophobicContact CE2-CZ 4.36Å; V321-F440 HydrophobicContact CB-CD2 4.47Å; V321-F440 HydrophobicContact CB-CE1 4.03Å; V321-F440 HydrophobicContact CB-CE2 3.9Å; V321-F440 HydrophobicContact CB-CZ 3.66Å; V321-F440 HydrophobicContact CG1-CD1 3.77Å; V321-F440 HydrophobicContact CG1-CD2 3.78Å; V321-F440 HydrophobicContact CG1-CE1 3.69Å; V321-F440 HydrophobicContact CG1-CE2 3.71Å; V321-F440 HydrophobicContact CG1-CG 3.82Å; V321-F440 HydrophobicContact CG1-CZ 3.67Å; V321-F440 HydrophobicContact CG2-CE2 3.87Å; V321-F440 HydrophobicContact CG2-CZ 4.07Å; L436-F440 WeakPolarHBondContact O-CB 3.17Å; L436-F440 PolarHBondContact O-N 3.02Å; F437-F440 HydrophobicContact CD2-CD1 4.01Å; F437-F440 AromaticContact CE2-CD1 3.99Å; F437-F440 HydrophobicContact CE2-CD1 3.99Å; F437-F440 HydrophobicContact CE2-CE1 4.36Å; F437-F440 PolarHBondContact O-N 2.99Å; G438-F440 VanDerWaalsContact C-N 3.35Å; G438-F440 PolarHBondContact O-N 2.95Å; F440-L442 PolarHBondContact O-N 3.32Å; F440-V443 PolarHBondContact O-N 3.05Å; F440-Y444 HydrophobicContact CE2-CD2 4.34Å; F440-Y444 HydrophobicContact CZ-CD2 4.06Å; F440-Y444 HydrophobicContact CZ-CG 4.37Å; F440-Y444 VanDerWaalsContact O-CB 3.25Å; F440-Y444 WeakPolarHBondContact O-CB 3.41Å; F440-Y444 PolarHBondContact O-N 3.42Å
441	N	97.5	Very high	94.7	Very high	22 Å²	22	67.2 Å²	67.2	12%	0.118	37%	0.37	C	S	.	.	H	α-helix	trans	-60.4	-44.7	177.9	-83.5	-89.9	0	0	0	111.5	F437 G438 T439 V443 Y444 W445	F437-N441 WeakPolarHBondContact CE1-ND2 3.49Å; F437-N441 WeakPolarHBondContact CE2-ND2 3.28Å; F437-N441 VanDerWaalsContact CZ-ND2 3.3Å; F437-N441 WeakPolarHBondContact CZ-ND2 3.22Å; F437-N441 PolarHBondContact O-N 3.44Å; F437-N441 PolarHBondContact O-ND2 3.47Å; G438-N441 PolarHBondContact O-N 3.3Å; T439-N441 PolarHBondContact O-N 2.78Å; N441-V443 PolarHBondContact O-N 3.03Å; N441-Y444 PolarHBondContact O-N 2.96Å; N441-W445 PolarHBondContact O-N 3.29Å
442	L	96.5	Very high	93.5	Very high	132 Å²	132	70.2 Å²	70.2	69%	0.691	38%	0.379	S	S	*	.	H	α-helix	trans	-58.7	-47.7	176.9	-70.6	172.7	0	0	0	111.8	G438 T439 F440 A446	G438-L442 WeakPolarHBondContact O-CG 3.3Å; G438-L442 PolarHBondContact O-N 2.84Å; T439-L442 PolarHBondContact O-N 2.92Å; F440-L442 PolarHBondContact O-N 3.32Å; L442-A446 WeakPolarHBondContact O-CB 3.36Å; L442-A446 PolarHBondContact O-N 3.01Å
443	V	96.8	Very high	92	Very high	84 Å²	84	72.5 Å²	72.5	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-64.3	-43	177.9	172.6	0	0	0	0	111.5	T439 F440 N441 T447	T439-V443 WeakPolarHBondContact O-CG2 3.2Å; T439-V443 PolarHBondContact O-N 3.01Å; F440-V443 PolarHBondContact O-N 3.05Å; N441-V443 PolarHBondContact O-N 3.03Å; V443-T447 VanDerWaalsContact O-CB 3.24Å; V443-T447 WeakPolarHBondContact O-CB 3.26Å; V443-T447 PolarHBondContact O-N 2.94Å; V443-T447 PolarHBondContact O-OG1 3.42Å
444	Y	96.5	Very high	90.2	Very high	8 Å²	8	78.9 Å²	78.9	3%	0.031	42%	0.419	C	S	.	.	H	α-helix	trans	-60.2	-57.3	-180	-179.2	-92.2	0	0	0	111.5	M177 Y260 A314 F318 F440 N441 A446 T447 Y448	M177-Y444 HydrophobicContact CE-CE1 3.94Å; Y260-Y444 AromaticContact CE1-CE1 3.61Å; Y260-Y444 HydrophobicContact CE1-CE1 3.61Å; Y260-Y444 AromaticContact CE1-CZ 3.84Å; Y260-Y444 WeakPolarHBondContact CE1-OH 3.06Å; Y260-Y444 PolarHBondContact OH-OH 3.09Å; A314-Y444 VanDerWaalsContact O-CE2 3.25Å; A314-Y444 WeakPolarHBondContact O-CE2 3.45Å; A314-Y444 PolarHBondContact O-OH 3.04Å; F318-Y444 HydrophobicContact CB-CD2 4.47Å; F318-Y444 HydrophobicContact CB-CE1 4.46Å; F318-Y444 HydrophobicContact CB-CE2 3.77Å; F318-Y444 AromaticContact CD2-CD1 3.79Å; F318-Y444 HydrophobicContact CD2-CD1 3.79Å; F318-Y444 HydrophobicContact CD2-CD2 4.01Å; F318-Y444 AromaticContact CD2-CE1 3.77Å; F318-Y444 HydrophobicContact CD2-CE1 3.77Å; F318-Y444 AromaticContact CD2-CE2 3.99Å; F318-Y444 HydrophobicContact CD2-CE2 3.99Å; F318-Y444 AromaticContact CD2-CG 3.92Å; F318-Y444 HydrophobicContact CD2-CG 3.92Å; F318-Y444 AromaticContact CD2-CZ 3.87Å; F318-Y444 HydrophobicContact CE2-CD1 4.23Å; F318-Y444 HydrophobicContact CE2-CE1 4.47Å; F318-Y444 HydrophobicContact CG-CE1 4.4Å; F318-Y444 HydrophobicContact CG-CE2 4.36Å; F440-Y444 HydrophobicContact CE2-CD2 4.34Å; F440-Y444 HydrophobicContact CZ-CD2 4.06Å; F440-Y444 HydrophobicContact CZ-CG 4.37Å; F440-Y444 VanDerWaalsContact O-CB 3.25Å; F440-Y444 WeakPolarHBondContact O-CB 3.41Å; F440-Y444 PolarHBondContact O-N 3.42Å; N441-Y444 PolarHBondContact O-N 2.96Å; Y444-A446 PolarHBondContact O-N 2.88Å; Y444-T447 PolarHBondContact O-N 3.5Å; Y444-Y448 HydrophobicContact CD1-CD2 4.45Å; Y444-Y448 AromaticContact CD2-CD2 3.72Å; Y444-Y448 HydrophobicContact CD2-CD2 3.72Å; Y444-Y448 AromaticContact CD2-CE2 3.64Å; Y444-Y448 HydrophobicContact CD2-CE2 3.64Å; Y444-Y448 HydrophobicContact CE1-CD2 4.29Å; Y444-Y448 AromaticContact CE2-CD2 3.54Å; Y444-Y448 HydrophobicContact CE2-CD2 3.54Å; Y444-Y448 AromaticContact CE2-CE2 3.42Å; Y444-Y448 HydrophobicContact CE2-CE2 3.42Å; Y444-Y448 VanDerWaalsContact CE2-CE2 3.42Å; Y444-Y448 HydrophobicContact CG-CD2 4.17Å; Y444-Y448 AromaticContact CZ-CD2 3.85Å; Y444-Y448 WeakPolarHBondContact O-CD2 3.3Å; Y444-Y448 PolarHBondContact O-N 3.47Å
445	W	95.8	Very high	88.5	Confident	59 Å²	59	79 Å²	79	22%	0.223	42%	0.416	C	S	.	.	H	α-helix	trans	-65.5	-40	-178.4	-67.6	116	0	0	0	111.7	M177 I252 Y260 N441 T447 L449	M177-W445 HydrophobicContact CE-CZ3 4.45Å; M177-W445 HydrophobicContact SD-CE3 4.14Å; M177-W445 HydrophobicContact SD-CZ3 3.9Å; I252-W445 HydrophobicContact CD1-CH2 4.31Å; I252-W445 HydrophobicContact CD1-CZ3 3.72Å; Y260-W445 AromaticContact CD1-CH2 3.72Å; Y260-W445 HydrophobicContact CD1-CH2 3.72Å; Y260-W445 AromaticContact CD1-CZ2 3.62Å; Y260-W445 HydrophobicContact CD1-CZ2 3.62Å; Y260-W445 HydrophobicContact CD2-CH2 4.03Å; Y260-W445 AromaticContact CE1-CH2 3.83Å; Y260-W445 HydrophobicContact CE1-CH2 3.83Å; Y260-W445 HydrophobicContact CE1-CZ2 4.04Å; Y260-W445 HydrophobicContact CE2-CH2 4.13Å; Y260-W445 AromaticContact CG-CH2 3.83Å; Y260-W445 HydrophobicContact CG-CH2 3.83Å; Y260-W445 AromaticContact CG-CZ2 3.92Å; Y260-W445 HydrophobicContact CG-CZ2 3.92Å; N441-W445 PolarHBondContact O-N 3.29Å; W445-T447 VanDerWaalsContact C-N 3.29Å; W445-T447 PolarHBondContact O-N 3.22Å; W445-L449 HydrophobicContact CB-CD1 4.15Å; W445-L449 HydrophobicContact CE3-CD1 3.95Å; W445-L449 HydrophobicContact CE3-CD2 4.37Å; W445-L449 HydrophobicContact CE3-CG 4.11Å; W445-L449 WeakPolarHBondContact O-CB 3.31Å; W445-L449 VanDerWaalsContact O-CG 3.26Å; W445-L449 WeakPolarHBondContact O-CG 3.24Å; W445-L449 PolarHBondContact O-N 2.84Å
446	A	94.9	Very high	86.2	Confident	52 Å²	52	80.1 Å²	80.1	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-65.5	-30.1	176.2	0	0	0	0	0	113.1	L442 Y444 N450	L442-A446 WeakPolarHBondContact O-CB 3.36Å; L442-A446 PolarHBondContact O-N 3.01Å; Y444-A446 PolarHBondContact O-N 2.88Å; A446-N450 VanDerWaalsContact O-CB 3.31Å; A446-N450 WeakPolarHBondContact O-CB 3.46Å; A446-N450 PolarHBondContact O-ND2 3.09Å
447	T	93.8	Very high	83.8	Confident	76 Å²	76	77.1 Å²	77.1	47%	0.466	41%	0.412	S	S	.	.	H	α-helix	trans	-77.7	-53.2	179.4	-61.1	0	0	0	0	111	V443 Y444 W445 K451	V443-T447 VanDerWaalsContact O-CB 3.24Å; V443-T447 WeakPolarHBondContact O-CB 3.26Å; V443-T447 PolarHBondContact O-N 2.94Å; V443-T447 PolarHBondContact O-OG1 3.42Å; Y444-T447 PolarHBondContact O-N 3.5Å; W445-T447 VanDerWaalsContact C-N 3.29Å; W445-T447 PolarHBondContact O-N 3.22Å; T447-K451 PolarHBondContact O-N 3.2Å
448	Y	92.6	Very high	81.2	Confident	45 Å²	45	79 Å²	79	18%	0.176	42%	0.424	C	S	.	.	H	α-helix	trans	-80.6	-27.5	-172.5	-69.1	-71.6	0	0	0	114.1	D174 M177 A314 Y444	D174-Y448 WeakPolarHBondContact OD1-CD1 3.33Å; D174-Y448 WeakPolarHBondContact OD1-CE1 3.34Å; M177-Y448 VanDerWaalsContact CE-CB 3.47Å; M177-Y448 HydrophobicContact CE-CD2 4.42Å; M177-Y448 HydrophobicContact CE-CG 3.99Å; M177-Y448 WeakPolarHBondContact SD-CB 3.34Å; A314-Y448 HydrophobicContact CB-CD1 3.59Å; A314-Y448 HydrophobicContact CB-CD2 4.13Å; A314-Y448 HydrophobicContact CB-CE1 3.35Å; A314-Y448 HydrophobicContact CB-CE2 3.92Å; A314-Y448 HydrophobicContact CB-CG 3.98Å; Y444-Y448 HydrophobicContact CD1-CD2 4.45Å; Y444-Y448 AromaticContact CD2-CD2 3.72Å; Y444-Y448 HydrophobicContact CD2-CD2 3.72Å; Y444-Y448 AromaticContact CD2-CE2 3.64Å; Y444-Y448 HydrophobicContact CD2-CE2 3.64Å; Y444-Y448 HydrophobicContact CE1-CD2 4.29Å; Y444-Y448 AromaticContact CE2-CD2 3.54Å; Y444-Y448 HydrophobicContact CE2-CD2 3.54Å; Y444-Y448 AromaticContact CE2-CE2 3.42Å; Y444-Y448 HydrophobicContact CE2-CE2 3.42Å; Y444-Y448 VanDerWaalsContact CE2-CE2 3.42Å; Y444-Y448 HydrophobicContact CG-CD2 4.17Å; Y444-Y448 AromaticContact CZ-CD2 3.85Å; Y444-Y448 WeakPolarHBondContact O-CD2 3.3Å; Y444-Y448 PolarHBondContact O-N 3.47Å
449	L	90.7	Very high	78.1	Confident	102 Å²	102	84.3 Å²	84.3	53%	0.534	45%	0.445	S	S	.	.	H	α-helix	trans	-79.2	-28.4	176.1	-61.9	174.5	0	0	0	113.5	M177 I252 W445	M177-L449 HydrophobicContact CG-CD2 4.09Å; M177-L449 HydrophobicContact SD-CD2 3.72Å; M177-L449 HydrophobicContact SD-CG 4.21Å; I252-L449 HydrophobicContact CD1-CD2 4.39Å; W445-L449 HydrophobicContact CB-CD1 4.15Å; W445-L449 HydrophobicContact CE3-CD1 3.95Å; W445-L449 HydrophobicContact CE3-CD2 4.37Å; W445-L449 HydrophobicContact CE3-CG 4.11Å; W445-L449 WeakPolarHBondContact O-CB 3.31Å; W445-L449 VanDerWaalsContact O-CG 3.26Å; W445-L449 WeakPolarHBondContact O-CG 3.24Å; W445-L449 PolarHBondContact O-N 2.84Å
450	N	87.4	Confident	75	Confident	127 Å²	127	89.6 Å²	89.6	68%	0.679	46%	0.464	S	S	*	.	H	α-helix	trans	-89.8	-8.5	179	-67.6	-43.1	0	0	0	113.5	A446 K452	A446-N450 VanDerWaalsContact O-CB 3.31Å; A446-N450 WeakPolarHBondContact O-CB 3.46Å; A446-N450 PolarHBondContact O-ND2 3.09Å; N450-K452 PolarHBondContact O-N 2.92Å; N450-K452 VanDerWaalsContact O-N 3.09Å
451	K	79.4	Confident	71.7	Confident	88 Å²	88	96.9 Å²	96.9	38%	0.383	51%	0.513	S	S	.	.	S	Bend	trans	-64.2	112.8	178.7	-151.2	-177.2	-173.6	-166.1	0	108.7	D174 T447	D174-K451 VanDerWaalsContact OD1-CD 3.28Å; D174-K451 WeakPolarHBondContact OD1-CD 3.49Å; D174-K451 IonicContact OD1-NZ 3.27Å; D174-K451 PolarHBondContact OD1-NZ 2.71Å; D174-K451 WeakPolarHBondContact OD2-CD 3.32Å; D174-K451 WeakPolarHBondContact OD2-CE 3.47Å; D174-K451 IonicContact OD2-NZ 3.55Å; D174-K451 PolarHBondContact OD2-NZ 2.86Å; T447-K451 PolarHBondContact O-N 3.2Å
452	K	69.2	Low	70.4	Confident	185 Å²	185	100.7 Å²	100.7	80%	0.804	53%	0.532	S	S	*	.			trans	-60.8	132.2	174.9	-72	-172.7	178.7	-177.7	0	108.8	N450 K454	N450-K452 PolarHBondContact O-N 2.92Å; N450-K452 VanDerWaalsContact O-N 3.09Å; K452-K454 PolarHBondContact O-N 3.12Å; K452-K454 VanDerWaalsContact O-N 3.15Å
453	P	63.7	Low	69.1	Low	80 Å²	80	99 Å²	99	52%	0.519	52%	0.524	S	S	.	.			trans	-63	119.1	-178.8	25.3	-34	0	0	0	110	A179 L455	A179-P453 HydrophobicContact CB-CB 3.66Å; P453-L455 VanDerWaalsContact C-N 3.3Å; P453-L455 HydrophobicContact CB-CG 4.49Å; P453-L455 PolarHBondContact O-N 3.05Å
454	K	58	Low	67.5	Low	169 Å²	169	99.8 Å²	99.8	74%	0.735	53%	0.525	S	S	*	.			trans	-76.9	83.9	173	-71.2	-174.9	179	-179.9	0	109	K452 Q456	K452-K454 PolarHBondContact O-N 3.12Å; K452-K454 VanDerWaalsContact O-N 3.15Å; K454-Q456 PolarHBondContact O-N 3.36Å
455	L	61.3	Low	65.8	Low	58 Å²	58	105.2 Å²	105.2	30%	0.304	55%	0.554	S	S	.	*			trans	-71.7	75.7	173.7	-62.7	172	0	0	0	110.1	A179 A181 P453 G457	A179-L455 HydrophobicContact CB-CD2 4.46Å; A181-L455 HydrophobicContact CB-CB 4.41Å; A181-L455 HydrophobicContact CB-CD2 4.26Å; P453-L455 VanDerWaalsContact C-N 3.3Å; P453-L455 HydrophobicContact CB-CG 4.49Å; P453-L455 PolarHBondContact O-N 3.05Å; L455-G457 PolarHBondContact O-N 3.23Å
456	Q	49	Very low	64	Low	138 Å²	138	108.1 Å²	108.1	65%	0.645	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	129.1	173.1	-70.7	-174.5	-18	0	0	109.6	K454	K454-Q456 PolarHBondContact O-N 3.36Å
457	G	46.1	Very low	61.9	Low	40 Å²	40	111.9 Å²	111.9	41%	0.412	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	127	-23.1	-171.5	0	0	0	0	0	113.4	H245 L455	H245-G457 PolarHBondContact CE1-O 2.96Å; H245-G457 VanDerWaalsContact CE1-O 3.25Å; L455-G457 PolarHBondContact O-N 3.23Å
458	V	43.2	Very low	59.6	Low	49 Å²	49	114.4 Å²	114.4	30%	0.297	59%	0.593	S	S	.	*			trans	-95.9	93.7	168.8	-174.4	0	0	0	0	108.9	H460	V458-H460 PolarHBondContact O-N 2.81Å
459	N	33.5	Very low	57.1	Low	145 Å²	145	119.8 Å²	119.8	78%	0.775	63%	0.625	S	S	*	*			trans	-69.6	106.8	159.9	-83.6	-5.5	0	0	0	107.3	T461	N459-T461 VanDerWaalsContact C-N 3.32Å; N459-T461 PolarHBondContact O-N 3.19Å; N459-T461 VanDerWaalsContact O-N 3.08Å
460	H	31.4	Very low	54.3	Low	181 Å²	181	121.3 Å²	121.3	84%	0.838	63%	0.632	S	S	*	*			trans	-73.8	92.4	162.6	-73.9	-69.4	0	0	0	108.3	V458	V458-H460 PolarHBondContact O-N 2.81Å
461	T	29.1	Very low	51.3	Low	195 Å²	195	120.7 Å²	120.7	100%	1.196	63%	0.628	S	S	*	*			trans	-118.8	0	165.3	52.1	0	0	0	0	108.7	N459	N459-T461 VanDerWaalsContact C-N 3.32Å; N459-T461 PolarHBondContact O-N 3.19Å; N459-T461 VanDerWaalsContact O-N 3.08Å

Retrieved 461 of 461 residues in 142.1 ms (Link to these results)

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