A0A087XIR5_POEFO Loading...

Zinc transporter ZIP4

Selective transporter that mediates the uptake of Zn(2+). Plays an essential role for dietary zinc uptake from small intestine. The Zn(2+) uniporter activity is regulated by zinc availability. Also exhibits polyspecific binding and transport of Cu(2+), Cd(2+) and possibly Ni(2+) but at higher concentrations.

AlphaFold DB , UniProt , Accession A0A087XIR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	33.1	Very low	244 Å²	244	147.7 Å²	147.7	100%	1.202	79%	0.789	S	S	*	*				0	83.9	0	-84.3	166.8	159.6	0	0	107.8
2	C	25.3	Very low	33	Very low	132 Å²	132	148.6 Å²	148.6	89%	0.892	78%	0.781	S	S	*	*			trans	-92.7	129.5	-176.6	-79	0	0	0	0	110.5	H4	C2-H4 PolarHBondContact O-N 3.41Å
3	H	33.1	Very low	33.2	Very low	185 Å²	185	147 Å²	147	86%	0.856	77%	0.767	S	S	*	*			trans	-72.5	107.6	161.3	-86.6	-98.4	0	0	0	108.9
4	H	34.3	Very low	33.3	Very low	186 Å²	186	140.9 Å²	140.9	86%	0.861	75%	0.748	S	S	*	*			trans	-175.7	66.6	151.9	-108	58.3	0	0	0	110.6	C2	C2-H4 PolarHBondContact O-N 3.41Å
5	C	30.9	Very low	33.6	Very low	127 Å²	127	138.8 Å²	138.8	86%	0.858	73%	0.733	S	S	*	*			trans	-149	64.3	169.1	-140.7	0	0	0	0	110.6
6	S	30.9	Very low	33.7	Very low	93 Å²	93	139.5 Å²	139.5	65%	0.65	73%	0.731	S	S	*	*			trans	-142	15.2	174.4	-66.4	0	0	0	0	114.3
7	S	36.8	Very low	33.8	Very low	93 Å²	93	142.3 Å²	142.3	65%	0.65	73%	0.729	S	S	*	*	S	Bend	trans	-101.8	-13.5	-177.4	-57.2	0	0	0	0	114.3
8	F	32.8	Very low	34	Very low	183 Å²	183	143.1 Å²	143.1	80%	0.803	73%	0.727	S	S	*	*	S	Bend	trans	-93.9	-31.5	-179.7	-106	-94.8	0	0	0	113.9	L10 I11	F8-L10 VanDerWaalsContact C-N 3.28Å; F8-L10 PolarHBondContact O-N 2.95Å; F8-I11 PolarHBondContact O-N 2.89Å
9	E	34.8	Very low	34.1	Very low	153 Å²	153	143.2 Å²	143.2	72%	0.715	72%	0.722	S	S	*	*	H	α-helix	trans	-68.1	-26.4	179.4	-136.5	101.6	-163.9	0	0	113.3	Q13	E9-Q13 PolarHBondContact O-N 3.5Å
10	L	35.3	Very low	34.2	Very low	120 Å²	120	143.1 Å²	143.1	63%	0.628	72%	0.72	S	S	*	*	H	α-helix	trans	-80.7	-21.5	-178.5	-79.2	166.9	0	0	0	113.5	F8 A14	F8-L10 VanDerWaalsContact C-N 3.28Å; F8-L10 PolarHBondContact O-N 2.95Å; L10-A14 PolarHBondContact O-N 3.45Å
11	I	34.9	Very low	34.3	Very low	109 Å²	109	143.4 Å²	143.4	56%	0.559	72%	0.717	S	S	*	*	H	α-helix	trans	-79.9	-39.2	177.7	-65.8	173.7	0	0	0	109.9	F8 Q13 A14 E15	F8-I11 PolarHBondContact O-N 2.89Å; I11-Q13 PolarHBondContact O-N 3.41Å; I11-A14 PolarHBondContact O-N 3.27Å; I11-E15 PolarHBondContact O-N 3.38Å
12	F	32.3	Very low	34.4	Very low	158 Å²	158	134.8 Å²	134.8	69%	0.693	68%	0.681	S	S	*	*	H	α-helix	trans	-70.2	-32.1	177.5	-129.5	-93.3	0	0	0	113
13	Q	35.3	Very low	35	Very low	128 Å²	128	132.4 Å²	132.4	60%	0.598	66%	0.662	S	S	*	*	H	α-helix	trans	-77.3	-17.4	173.9	-82.1	-170.8	-9.9	0	0	114.5	E9 I11	E9-Q13 PolarHBondContact O-N 3.5Å; I11-Q13 PolarHBondContact O-N 3.41Å
14	A	33.9	Very low	35.4	Very low	62 Å²	62	127.1 Å²	127.1	51%	0.512	64%	0.643	S	S	.	*	H	α-helix	trans	-81	-32.4	176	0	0	0	0	0	112.1	L10 I11 F18	L10-A14 PolarHBondContact O-N 3.45Å; I11-A14 PolarHBondContact O-N 3.27Å; A14-F18 PolarHBondContact O-N 3.28Å
15	E	38	Very low	35.6	Very low	109 Å²	109	124.6 Å²	124.6	51%	0.509	64%	0.635	S	S	.	*	H	α-helix	trans	-75.6	-36.4	-176.4	-151.6	176.6	157	0	0	113	I11 F18 K19	I11-E15 PolarHBondContact O-N 3.38Å; E15-F18 PolarHBondContact O-N 3Å; E15-K19 PolarHBondContact O-N 3.03Å
16	E	35.2	Very low	35.8	Very low	150 Å²	150	123.9 Å²	123.9	70%	0.701	62%	0.622	S	S	*	*	H	α-helix	trans	-69.3	-32.7	173.7	-77.6	-149.9	146	0	0	113.1	F18 M20	E16-F18 VanDerWaalsContact C-N 3.29Å; E16-F18 PolarHBondContact O-N 3.37Å; E16-M20 PolarHBondContact O-N 2.99Å; E16-M20 VanDerWaalsContact O-N 3.13Å
17	R	35.6	Very low	35.9	Very low	187 Å²	187	124.7 Å²	124.7	71%	0.706	62%	0.618	S	S	*	*	H	α-helix	trans	-71.6	-22.5	175.2	-74	-159.9	-166	-148.1	8.1	113.2	K21	R17-K21 WeakPolarHBondContact O-CG 3.38Å; R17-K21 PolarHBondContact O-N 3.2Å
18	F	36.8	Very low	35.7	Very low	156 Å²	156	125.7 Å²	125.7	68%	0.684	62%	0.616	S	S	*	*	H	α-helix	trans	-79.5	-41.6	176.9	-150.9	-95.1	0	0	0	111.3	A14 E15 E16 M20 K21 S22	A14-F18 PolarHBondContact O-N 3.28Å; E15-F18 PolarHBondContact O-N 3Å; E16-F18 VanDerWaalsContact C-N 3.29Å; E16-F18 PolarHBondContact O-N 3.37Å; F18-M20 PolarHBondContact O-N 3.06Å; F18-K21 PolarHBondContact O-N 2.82Å; F18-S22 PolarHBondContact O-N 3.49Å
19	K	36.5	Very low	35.9	Very low	145 Å²	145	121.2 Å²	121.2	63%	0.63	61%	0.607	S	S	*	*	H	α-helix	trans	-65.4	-37.7	174.5	-78.7	175.5	176.7	166.2	0	112.7	E15 K21 S22 V23	E15-K19 PolarHBondContact O-N 3.03Å; K19-K21 PolarHBondContact O-N 2.94Å; K19-S22 PolarHBondContact O-N 3.36Å; K19-V23 WeakPolarHBondContact O-CG2 3.12Å; K19-V23 PolarHBondContact O-N 3.07Å
20	M	37.3	Very low	36	Very low	141 Å²	141	120.7 Å²	120.7	70%	0.695	61%	0.608	S	S	*	*	H	α-helix	trans	-71.8	-29.2	178.8	-146.6	176	-153.4	0	0	113	E16 F18 V24	E16-M20 PolarHBondContact O-N 2.99Å; E16-M20 VanDerWaalsContact O-N 3.13Å; F18-M20 PolarHBondContact O-N 3.06Å; M20-V24 WeakPolarHBondContact O-CB 3.35Å; M20-V24 WeakPolarHBondContact O-CG2 3.42Å; M20-V24 PolarHBondContact O-N 2.8Å
21	K	34.6	Very low	36	Very low	150 Å²	150	119 Å²	119	65%	0.652	61%	0.606	S	S	*	*	H	α-helix	trans	-72.8	-36.9	174.8	-78.4	179.3	177.4	-175.5	0	112.7	R17 F18 K19 L25	R17-K21 WeakPolarHBondContact O-CG 3.38Å; R17-K21 PolarHBondContact O-N 3.2Å; F18-K21 PolarHBondContact O-N 2.82Å; K19-K21 PolarHBondContact O-N 2.94Å; K21-L25 WeakPolarHBondContact O-CB 3.17Å; K21-L25 PolarHBondContact O-N 3.48Å
22	S	38	Very low	35.7	Very low	63 Å²	63	119.7 Å²	119.7	44%	0.441	62%	0.62	S	S	.	*	H	α-helix	trans	-69.9	-35.8	175.5	-64.9	0	0	0	0	112.7	F18 K19 L25 L26	F18-S22 PolarHBondContact O-N 3.49Å; K19-S22 PolarHBondContact O-N 3.36Å; S22-L25 PolarHBondContact O-N 3Å; S22-L26 WeakPolarHBondContact O-CB 3.36Å; S22-L26 PolarHBondContact O-N 3.49Å; S22-L26 VanDerWaalsContact O-N 3.08Å
23	V	38.8	Very low	35.5	Very low	82 Å²	82	117.8 Å²	117.8	50%	0.497	63%	0.625	S	S	.	*	H	α-helix	trans	-74.6	-35	176.5	176.1	0	0	0	0	111.8	K19 L26 L27	K19-V23 WeakPolarHBondContact O-CG2 3.12Å; K19-V23 PolarHBondContact O-N 3.07Å; V23-L26 PolarHBondContact O-N 3.01Å; V23-L27 HydrophobicContact CG1-CD1 3.89Å; V23-L27 HydrophobicContact CG1-CG 4.43Å; V23-L27 WeakPolarHBondContact O-CB 3.41Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 2.69Å
24	V	40.7	Very low	35.5	Very low	75 Å²	75	118.3 Å²	118.3	46%	0.455	64%	0.639	S	S	.	*	H	α-helix	trans	-71.1	-32	173.2	171.9	0	0	0	0	111.7	M20 L27 L28	M20-V24 WeakPolarHBondContact O-CB 3.35Å; M20-V24 WeakPolarHBondContact O-CG2 3.42Å; M20-V24 PolarHBondContact O-N 2.8Å; V24-L27 PolarHBondContact O-N 3.04Å; V24-L28 HydrophobicContact CG1-CD1 3.81Å; V24-L28 HydrophobicContact CG1-CG 4.35Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 WeakPolarHBondContact O-CD1 3.22Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.22Å; V24-L28 PolarHBondContact O-N 2.95Å
25	L	39	Very low	35.2	Very low	133 Å²	133	118 Å²	118	70%	0.696	64%	0.643	S	S	*	*	H	α-helix	trans	-66.4	-40.3	171.4	-131.2	87	0	0	0	111.8	K21 S22 L28 S29	K21-L25 WeakPolarHBondContact O-CB 3.17Å; K21-L25 PolarHBondContact O-N 3.48Å; S22-L25 PolarHBondContact O-N 3Å; L25-L28 PolarHBondContact O-N 2.9Å; L25-S29 PolarHBondContact O-N 3.27Å; L25-S29 PolarHBondContact O-OG 3.01Å
26	L	34.7	Very low	35.1	Very low	112 Å²	112	118.9 Å²	118.9	59%	0.586	66%	0.661	S	S	*	*	H	α-helix	trans	-69.8	-30.8	176.3	-105.2	142.7	0	0	0	113.3	S22 V23 S29	S22-L26 WeakPolarHBondContact O-CB 3.36Å; S22-L26 PolarHBondContact O-N 3.49Å; S22-L26 VanDerWaalsContact O-N 3.08Å; V23-L26 PolarHBondContact O-N 3.01Å; L26-S29 WeakPolarHBondContact CA-OG 3.31Å; L26-S29 PolarHBondContact O-OG 3.36Å
27	L	32.2	Very low	34.9	Very low	109 Å²	109	118.3 Å²	118.3	57%	0.571	67%	0.667	S	S	*	*	H	α-helix	trans	-84.7	-23.4	176.3	-69.8	171.5	0	0	0	113.1	V23 V24 S31	V23-L27 HydrophobicContact CG1-CD1 3.89Å; V23-L27 HydrophobicContact CG1-CG 4.43Å; V23-L27 WeakPolarHBondContact O-CB 3.41Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 2.69Å; V24-L27 PolarHBondContact O-N 3.04Å; L27-S31 PolarHBondContact O-OG 3.28Å
28	L	33.4	Very low	34.6	Very low	115 Å²	115	112.3 Å²	112.3	60%	0.602	66%	0.663	S	S	*	*	H	α-helix	trans	-76.2	-22.6	170.2	-75.8	167.2	0	0	0	112.7	V24 L25 L30	V24-L28 HydrophobicContact CG1-CD1 3.81Å; V24-L28 HydrophobicContact CG1-CG 4.35Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 WeakPolarHBondContact O-CD1 3.22Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.22Å; V24-L28 PolarHBondContact O-N 2.95Å; L25-L28 PolarHBondContact O-N 2.9Å; L28-L30 VanDerWaalsContact C-N 3.3Å
29	S	36.8	Very low	34.6	Very low	88 Å²	88	110.6 Å²	110.6	62%	0.615	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-11.3	171.5	49.2	0	0	0	0	114.6	L25 L26	L25-S29 PolarHBondContact O-N 3.27Å; L25-S29 PolarHBondContact O-OG 3.01Å; L26-S29 WeakPolarHBondContact CA-OG 3.31Å; L26-S29 PolarHBondContact O-OG 3.36Å
30	L	36.1	Very low	35.5	Very low	142 Å²	142	106 Å²	106	74%	0.743	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	8.1	-177.8	-90.3	147	0	0	0	114	L28	L28-L30 VanDerWaalsContact C-N 3.3Å
31	S	36.9	Very low	37.5	Very low	84 Å²	84	101.5 Å²	101.5	59%	0.587	64%	0.642	S	S	*	*			trans	-131.8	31.3	-175	50.9	0	0	0	0	115.4	L27	L27-S31 PolarHBondContact O-OG 3.28Å
32	C	28.2	Very low	39.9	Very low	125 Å²	125	95.9 Å²	95.9	85%	0.845	62%	0.624	S	S	*	*			trans	-109.1	115.1	161.5	-106	0	0	0	0	111.3
33	C	28.4	Very low	42.4	Very low	117 Å²	117	93.2 Å²	93.2	79%	0.791	61%	0.605	S	S	*	*			trans	-47.4	157.7	167.2	-72.4	0	0	0	0	112.7	G35	C33-G35 VanDerWaalsContact C-N 3.32Å; C33-G35 PolarHBondContact O-N 3.43Å
34	P	35.1	Very low	44.8	Very low	140 Å²	140	93.7 Å²	93.7	91%	0.909	60%	0.601	S	S	*	*			trans	-71.5	87	-175.3	31.3	-34.3	0	0	0	110.1
35	G	27	Very low	47.2	Very low	56 Å²	56	94 Å²	94	58%	0.577	60%	0.601	S	S	*	*			trans	-112.8	98.2	168.1	0	0	0	0	0	108.3	C33 V37	C33-G35 VanDerWaalsContact C-N 3.32Å; C33-G35 PolarHBondContact O-N 3.43Å; G35-V37 PolarHBondContact O-N 2.93Å
36	S	35	Very low	49.7	Very low	127 Å²	127	87.7 Å²	87.7	89%	0.888	57%	0.568	S	S	*	*			trans	4.5	83.3	159.4	-177	0	0	0	0	116
37	V	31.1	Very low	52.4	Low	138 Å²	138	83 Å²	83	84%	0.836	54%	0.542	S	S	*	.			trans	-95.9	111	160.3	-177.3	0	0	0	0	105.5	G35 S39	G35-V37 PolarHBondContact O-N 2.93Å; V37-S39 PolarHBondContact O-N 3.46Å
38	G	29.6	Very low	55.2	Low	61 Å²	61	81.2 Å²	81.2	63%	0.629	54%	0.539	S	S	*	.			trans	-57.3	133.1	174.8	0	0	0	0	0	109.5	A40	G38-A40 PolarHBondContact O-N 2.88Å
39	S	36.1	Very low	57.9	Low	120 Å²	120	76.5 Å²	76.5	84%	0.839	52%	0.517	S	S	*	.			trans	-50.8	111.3	167.1	179.5	0	0	0	0	108.2	V37	V37-S39 PolarHBondContact O-N 3.46Å
40	A	55.9	Low	60.5	Low	47 Å²	47	72.3 Å²	72.3	39%	0.388	49%	0.487	S	S	.	.			trans	-59.5	138.6	163.9	0	0	0	0	0	107.3	G38	G38-A40 PolarHBondContact O-N 2.88Å
41	S	80.1	Confident	63.1	Low	48 Å²	48	65.9 Å²	65.9	34%	0.336	45%	0.454	S	S	.	.			trans	-72.5	145.1	177.1	66.1	0	0	0	0	109.5	V43 E44 D45	S41-V43 PolarHBondContact O-N 3.42Å; S41-E44 WeakPolarHBondContact O-CA 3.44Å; S41-E44 VanDerWaalsContact O-CB 3.29Å; S41-E44 WeakPolarHBondContact O-CB 3.45Å; S41-E44 PolarHBondContact O-N 3.46Å; S41-E44 WeakPolarHBondContact OG-CB 3.37Å; S41-E44 PolarHBondContact OG-N 3.42Å; S41-D45 PolarHBondContact O-N 3.4Å
42	A	85.4	Confident	65.6	Low	32 Å²	32	65 Å²	65	26%	0.264	45%	0.448	S	S	.	.	H	α-helix	trans	-55.8	-25.5	177.4	0	0	0	0	0	113	A46 V203 A216	A42-A46 PolarHBondContact O-N 3.46Å; A42-A46 VanDerWaalsContact O-N 3.13Å; A42-V203 HydrophobicContact CB-CG1 4.36Å; A42-A216 HydrophobicContact CB-CB 3.74Å
43	V	89.4	Confident	68.5	Low	7 Å²	7	61.6 Å²	61.6	4%	0.042	42%	0.423	C	S	.	.	H	α-helix	trans	-67.8	-38.3	172.4	-179.9	0	0	0	0	112.1	S41 A46 Y47 V119 F122 P123 E213 A216	S41-V43 PolarHBondContact O-N 3.42Å; V43-A46 PolarHBondContact O-N 3.01Å; V43-Y47 VanDerWaalsContact O-CB 3.27Å; V43-Y47 WeakPolarHBondContact O-CB 3.35Å; V43-Y47 PolarHBondContact O-N 3.36Å; V43-V119 HydrophobicContact CG1-CG1 4.28Å; V43-F122 HydrophobicContact CG1-CD1 4.12Å; V43-P123 HydrophobicContact CG1-CG 3.96Å; V43-E213 HydrophobicContact CG2-CB 4.11Å; V43-E213 WeakPolarHBondContact CG2-OE2 3.26Å; V43-A216 HydrophobicContact CG2-CB 4.15Å
44	E	90.6	Very high	71.2	Confident	92 Å²	92	56.9 Å²	56.9	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-67.8	-37.6	177.7	-170.4	164.9	-165.6	0	0	111.5	S41 Y47 S48 V119	S41-E44 WeakPolarHBondContact O-CA 3.44Å; S41-E44 VanDerWaalsContact O-CB 3.29Å; S41-E44 WeakPolarHBondContact O-CB 3.45Å; S41-E44 PolarHBondContact O-N 3.46Å; S41-E44 WeakPolarHBondContact OG-CB 3.37Å; S41-E44 PolarHBondContact OG-N 3.42Å; E44-Y47 PolarHBondContact O-N 3.08Å; E44-S48 WeakPolarHBondContact O-CB 3.35Å; E44-S48 PolarHBondContact O-N 3.23Å; E44-V119 HydrophobicContact CB-CG1 4.15Å; E44-V119 HydrophobicContact CG-CG1 4.46Å; E44-V119 HydrophobicContact CG-CG2 4.41Å
45	D	89.9	Confident	73.6	Confident	82 Å²	82	50.8 Å²	50.8	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-65.4	-46.4	173.7	-70	-21.6	0	0	0	111.5	S41 Y47 S48 A49	S41-D45 PolarHBondContact O-N 3.4Å; D45-Y47 VanDerWaalsContact C-N 3.32Å; D45-Y47 PolarHBondContact O-N 2.98Å; D45-S48 PolarHBondContact O-N 3Å; D45-A49 WeakPolarHBondContact O-CB 3.43Å; D45-A49 PolarHBondContact O-N 3.48Å
46	A	90.8	Very high	76.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62.8	-39.2	175.9	0	0	0	0	0	112.1	A42 V43 A49 V50 F122 R220	A42-A46 PolarHBondContact O-N 3.46Å; A42-A46 VanDerWaalsContact O-N 3.13Å; V43-A46 PolarHBondContact O-N 3.01Å; A46-A49 PolarHBondContact O-N 2.95Å; A46-V50 PolarHBondContact O-N 2.85Å; A46-V50 VanDerWaalsContact O-N 3.14Å; A46-F122 HydrophobicContact CB-CE1 3.99Å; A46-R220 HydrophobicContact CB-CG 4.45Å
47	Y	92.2	Very high	77.8	Confident	12 Å²	12	51.4 Å²	51.4	5%	0.047	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-48.4	174.6	175.4	-103.8	0	0	0	111.8	V43 E44 D45 A49 V50 V51 F60 L61 V117 V119 F122	V43-Y47 VanDerWaalsContact O-CB 3.27Å; V43-Y47 WeakPolarHBondContact O-CB 3.35Å; V43-Y47 PolarHBondContact O-N 3.36Å; E44-Y47 PolarHBondContact O-N 3.08Å; D45-Y47 VanDerWaalsContact C-N 3.32Å; D45-Y47 PolarHBondContact O-N 2.98Å; Y47-A49 VanDerWaalsContact C-N 3.3Å; Y47-A49 PolarHBondContact O-N 2.96Å; Y47-V50 PolarHBondContact O-N 2.89Å; Y47-V51 HydrophobicContact CD1-CG2 4.16Å; Y47-V51 HydrophobicContact CD2-CG2 4.31Å; Y47-V51 HydrophobicContact CE1-CG2 3.81Å; Y47-V51 HydrophobicContact CE2-CG2 3.98Å; Y47-V51 HydrophobicContact CG-CG2 4.43Å; Y47-V51 VanDerWaalsContact O-CG2 3.32Å; Y47-V51 WeakPolarHBondContact O-CG2 3.38Å; Y47-V51 PolarHBondContact O-N 3.45Å; Y47-F60 VanDerWaalsContact OH-CA 3.26Å; Y47-F60 WeakPolarHBondContact OH-CA 3.47Å; Y47-L61 HydrophobicContact CE2-CD1 4Å; Y47-L61 HydrophobicContact CE2-CG 4.08Å; Y47-L61 PolarHBondContact OH-N 3.4Å; Y47-V117 PolarHBondContact OH-O 2.86Å; Y47-V119 HydrophobicContact CD1-CG2 3.59Å; Y47-V119 HydrophobicContact CE1-CG2 3.8Å; Y47-V119 HydrophobicContact CG-CG2 4.13Å; Y47-F122 HydrophobicContact CD2-CB 3.66Å; Y47-F122 HydrophobicContact CD2-CD1 4.2Å; Y47-F122 AromaticContact CD2-CD2 3.54Å; Y47-F122 HydrophobicContact CD2-CD2 3.54Å; Y47-F122 HydrophobicContact CD2-CE2 4.17Å; Y47-F122 AromaticContact CD2-CG 3.54Å; Y47-F122 HydrophobicContact CD2-CG 3.54Å; Y47-F122 HydrophobicContact CE2-CB 4.31Å; Y47-F122 HydrophobicContact CE2-CD2 4.31Å; Y47-F122 HydrophobicContact CE2-CG 4.48Å; Y47-F122 HydrophobicContact CG-CB 4.43Å; Y47-F122 HydrophobicContact CG-CG 4.25Å
48	S	90.1	Very high	79.9	Confident	73 Å²	73	49 Å²	49	51%	0.51	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-41.2	177.7	-173	0	0	0	0	111.7	E44 D45 V51 S52	E44-S48 WeakPolarHBondContact O-CB 3.35Å; E44-S48 PolarHBondContact O-N 3.23Å; D45-S48 PolarHBondContact O-N 3Å; S48-V51 PolarHBondContact O-N 3.14Å; S48-S52 WeakPolarHBondContact O-CB 3.22Å; S48-S52 PolarHBondContact O-N 3.42Å
49	A	90.6	Very high	82	Confident	16 Å²	16	50.6 Å²	50.6	13%	0.132	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-47.4	175.6	0	0	0	0	0	111.8	D45 A46 Y47 S52 Y223	D45-A49 WeakPolarHBondContact O-CB 3.43Å; D45-A49 PolarHBondContact O-N 3.48Å; A46-A49 PolarHBondContact O-N 2.95Å; Y47-A49 VanDerWaalsContact C-N 3.3Å; Y47-A49 PolarHBondContact O-N 2.96Å; A49-S52 PolarHBondContact O-N 2.89Å; A49-S52 PolarHBondContact O-OG 3.35Å; A49-Y223 HydrophobicContact CB-CD2 3.78Å; A49-Y223 HydrophobicContact CB-CE2 4.02Å; A49-Y223 HydrophobicContact CB-CG 4.14Å; A49-Y223 WeakPolarHBondContact O-CD2 3.4Å
50	V	91.6	Very high	84.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-46.1	176.7	171.7	0	0	0	0	111.6	A46 Y47 S52 V53 V54 L69 F122 L222 L226	A46-V50 PolarHBondContact O-N 2.85Å; A46-V50 VanDerWaalsContact O-N 3.14Å; Y47-V50 PolarHBondContact O-N 2.89Å; V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 PolarHBondContact O-N 3.45Å; V50-V53 PolarHBondContact O-N 3.33Å; V50-V53 VanDerWaalsContact O-N 3.13Å; V50-V54 WeakPolarHBondContact O-CG2 3.26Å; V50-V54 PolarHBondContact O-N 3.49Å; V50-L69 HydrophobicContact CG1-CD1 4Å; V50-F122 HydrophobicContact CB-CE2 4.14Å; V50-F122 HydrophobicContact CB-CZ 4.24Å; V50-F122 HydrophobicContact CG1-CE2 4.32Å; V50-F122 HydrophobicContact CG2-CE2 4.05Å; V50-F122 HydrophobicContact CG2-CZ 3.79Å; V50-L222 HydrophobicContact CG1-CD2 4.48Å; V50-L222 HydrophobicContact CG2-CD2 4.38Å; V50-L222 HydrophobicContact CG2-CG 4.34Å; V50-L226 HydrophobicContact CG1-CD1 3.93Å
51	V	90.2	Very high	85.3	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.036	30%	0.301	C	S	.	.	H	α-helix	trans	-57.7	-40.6	178.3	172.6	0	0	0	0	111.2	Y47 S48 V53 V54 S55 Q58 L61	Y47-V51 HydrophobicContact CD1-CG2 4.16Å; Y47-V51 HydrophobicContact CD2-CG2 4.31Å; Y47-V51 HydrophobicContact CE1-CG2 3.81Å; Y47-V51 HydrophobicContact CE2-CG2 3.98Å; Y47-V51 HydrophobicContact CG-CG2 4.43Å; Y47-V51 VanDerWaalsContact O-CG2 3.32Å; Y47-V51 WeakPolarHBondContact O-CG2 3.38Å; Y47-V51 PolarHBondContact O-N 3.45Å; S48-V51 PolarHBondContact O-N 3.14Å; V51-V53 PolarHBondContact O-N 3.11Å; V51-V54 PolarHBondContact O-N 2.93Å; V51-S55 CarbonylContact O-C 3.36Å; V51-S55 VanDerWaalsContact O-C 3.26Å; V51-S55 WeakPolarHBondContact O-CA 3.37Å; V51-S55 PolarHBondContact O-N 3.37Å; V51-Q58 WeakPolarHBondContact CG1-O 3.24Å; V51-L61 HydrophobicContact CG2-CD2 3.77Å; V51-L61 HydrophobicContact CG2-CG 3.87Å
52	S	89.4	Confident	85.5	Confident	66 Å²	66	46.1 Å²	46.1	46%	0.462	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-29.8	179.9	79.3	0	0	0	0	113.7	S48 A49 V50	S48-S52 WeakPolarHBondContact O-CB 3.22Å; S48-S52 PolarHBondContact O-N 3.42Å; A49-S52 PolarHBondContact O-N 2.89Å; A49-S52 PolarHBondContact O-OG 3.35Å; V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 PolarHBondContact O-N 3.45Å
53	V	89	Confident	85.2	Confident	54 Å²	54	46.1 Å²	46.1	33%	0.327	30%	0.296	S	S	.	.	H	α-helix	trans	-83.1	-44.1	-179.8	178.2	0	0	0	0	111.3	V50 V51 Y223 L226 L227	V50-V53 PolarHBondContact O-N 3.33Å; V50-V53 VanDerWaalsContact O-N 3.13Å; V51-V53 PolarHBondContact O-N 3.11Å; V53-Y223 HydrophobicContact CG2-CD2 3.82Å; V53-Y223 HydrophobicContact CG2-CE2 3.56Å; V53-L226 HydrophobicContact CG1-CB 4.12Å; V53-L227 HydrophobicContact CG2-CD2 4.11Å
54	V	86.7	Confident	84.9	Confident	17 Å²	17	53.8 Å²	53.8	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-94.6	-20.6	-171.2	-57.1	0	0	0	0	114.1	V50 V51 L61 L69 L226	V50-V54 WeakPolarHBondContact O-CG2 3.26Å; V50-V54 PolarHBondContact O-N 3.49Å; V51-V54 PolarHBondContact O-N 2.93Å; V54-L61 HydrophobicContact CG2-CD2 3.35Å; V54-L69 HydrophobicContact CG1-CB 4.01Å; V54-L69 HydrophobicContact CG1-CD1 4.27Å; V54-L69 HydrophobicContact CG1-CG 4.27Å; V54-L226 HydrophobicContact CG1-CD1 3.9Å; V54-L226 HydrophobicContact CG1-CD2 4.36Å
55	S	84.6	Confident	84.7	Confident	12 Å²	12	49.7 Å²	49.7	8%	0.084	31%	0.312	C	S	.	.	S	Bend	trans	-148.9	69.1	-179.9	-154.2	0	0	0	0	111.9	V51 G57 Q58 S65	V51-S55 CarbonylContact O-C 3.36Å; V51-S55 VanDerWaalsContact O-C 3.26Å; V51-S55 WeakPolarHBondContact O-CA 3.37Å; V51-S55 PolarHBondContact O-N 3.37Å; S55-G57 PolarHBondContact O-N 3.26Å; S55-G57 VanDerWaalsContact O-N 3.14Å; S55-Q58 PolarHBondContact O-N 2.98Å; S55-Q58 PolarHBondContact OG-OE1 3.43Å; S55-S65 WeakPolarHBondContact CB-OG 3.43Å; S55-S65 PolarHBondContact OG-OG 2.97Å
56	P	79.7	Confident	84.6	Confident	108 Å²	108	45.9 Å²	45.9	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	121.3	-178.4	22	-31.1	0	0	0	111
57	G	69.9	Low	84.5	Confident	89 Å²	89	53.4 Å²	53.4	92%	0.918	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	1.1	178.6	0	0	0	0	0	116	S55	S55-G57 PolarHBondContact O-N 3.26Å; S55-G57 VanDerWaalsContact O-N 3.14Å
58	Q	75.9	Confident	84.3	Confident	86 Å²	86	55.5 Å²	55.5	40%	0.402	34%	0.337	S	S	.	.			trans	-106.2	155.3	171.8	-63.6	-176.3	-5	0	0	111.2	V51 S55 T62	V51-Q58 WeakPolarHBondContact CG1-O 3.24Å; S55-Q58 PolarHBondContact O-N 2.98Å; S55-Q58 PolarHBondContact OG-OE1 3.43Å; Q58-T62 VanDerWaalsContact OE1-CG2 3.31Å
59	S	74.3	Confident	84.4	Confident	96 Å²	96	52 Å²	52	67%	0.671	31%	0.313	S	S	*	.	S	Bend	trans	-97.9	-3.4	175.5	54.6	0	0	0	0	113.5
60	F	79.6	Confident	84.5	Confident	94 Å²	94	51.4 Å²	51.4	41%	0.412	31%	0.307	S	S	.	.	S	Bend	trans	-140.8	152.1	-179.2	48.8	-91.3	0	0	0	113.1	Y47 T62 T116	Y47-F60 VanDerWaalsContact OH-CA 3.26Å; Y47-F60 WeakPolarHBondContact OH-CA 3.47Å; F60-T62 HydrophobicContact CD2-CG2 3.77Å; F60-T62 HydrophobicContact CE2-CG2 3.65Å; F60-T62 PolarHBondContact O-N 3.23Å; F60-T116 HydrophobicContact CD2-CG2 4.03Å; F60-T116 HydrophobicContact CE2-CG2 4.3Å
61	L	82.1	Confident	84.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.3	173.4	-65.4	174.7	0	0	0	109.5	Y47 V51 V54 L66 T116 V117 L125	Y47-L61 HydrophobicContact CE2-CD1 4Å; Y47-L61 HydrophobicContact CE2-CG 4.08Å; Y47-L61 PolarHBondContact OH-N 3.4Å; V51-L61 HydrophobicContact CG2-CD2 3.77Å; V51-L61 HydrophobicContact CG2-CG 3.87Å; V54-L61 HydrophobicContact CG2-CD2 3.35Å; L61-L66 HydrophobicContact CB-CD2 4.32Å; L61-L66 HydrophobicContact CB-CG 4.44Å; L61-L66 HydrophobicContact CD1-CD2 4.3Å; L61-T116 WeakPolarHBondContact O-CA 3.47Å; L61-V117 HydrophobicContact CB-CB 4.19Å; L61-V117 HydrophobicContact CD1-CB 4.49Å; L61-V117 PolarHBondContact O-N 3.13Å; L61-V117 VanDerWaalsContact O-N 3.07Å; L61-L125 HydrophobicContact CD1-CD2 3.62Å
62	T	83.8	Confident	84.4	Confident	26 Å²	26	56.6 Å²	56.6	16%	0.16	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	166.6	173.6	66.2	0	0	0	0	111.5	Q58 F60 E64 S65 L66 V115	Q58-T62 VanDerWaalsContact OE1-CG2 3.31Å; F60-T62 HydrophobicContact CD2-CG2 3.77Å; F60-T62 HydrophobicContact CE2-CG2 3.65Å; F60-T62 PolarHBondContact O-N 3.23Å; T62-E64 PolarHBondContact O-N 3.12Å; T62-S65 WeakPolarHBondContact O-CB 3.46Å; T62-S65 PolarHBondContact O-N 3.11Å; T62-S65 VanDerWaalsContact O-N 3.1Å; T62-S65 PolarHBondContact OG1-N 3.22Å; T62-S65 PolarHBondContact OG1-OG 3.5Å; T62-L66 WeakPolarHBondContact O-CG 3.47Å; T62-L66 PolarHBondContact O-N 3.32Å; T62-V115 CarbonylContact C-O 3.5Å
63	G	79.9	Confident	84.5	Confident	32 Å²	32	53.4 Å²	53.4	33%	0.33	31%	0.314	S	S	.	.	H	α-helix	trans	-54.3	-36.7	173.5	0	0	0	0	0	113.8	R67 V115	G63-R67 PolarHBondContact O-N 2.94Å; G63-V115 PolarHBondContact N-O 3.29Å
64	E	81.8	Confident	84.5	Confident	168 Å²	168	52.4 Å²	52.4	79%	0.785	31%	0.306	S	S	*	.	H	α-helix	trans	-68.5	-43.7	175.4	-67.1	-169	160.2	0	0	112.1	T62 L66 R67 S68	T62-E64 PolarHBondContact O-N 3.12Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 PolarHBondContact O-N 3.35Å; E64-R67 PolarHBondContact O-N 3.07Å; E64-S68 PolarHBondContact O-N 2.86Å
65	S	86.9	Confident	84.6	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-39.7	176.3	-46.9	0	0	0	0	111.7	S55 T62 S68 L69	S55-S65 WeakPolarHBondContact CB-OG 3.43Å; S55-S65 PolarHBondContact OG-OG 2.97Å; T62-S65 WeakPolarHBondContact O-CB 3.46Å; T62-S65 PolarHBondContact O-N 3.11Å; T62-S65 VanDerWaalsContact O-N 3.1Å; T62-S65 PolarHBondContact OG1-N 3.22Å; T62-S65 PolarHBondContact OG1-OG 3.5Å; S65-S68 WeakPolarHBondContact O-CB 3.2Å; S65-S68 PolarHBondContact O-N 2.9Å; S65-L69 WeakPolarHBondContact O-CB 3.34Å; S65-L69 PolarHBondContact O-N 3.3Å
66	L	88.4	Confident	84.8	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-40.2	174.8	-73.5	173.1	0	0	0	111.8	L61 T62 E64 S68 L69 F70 V93 V115 V117 L125	L61-L66 HydrophobicContact CB-CD2 4.32Å; L61-L66 HydrophobicContact CB-CG 4.44Å; L61-L66 HydrophobicContact CD1-CD2 4.3Å; T62-L66 WeakPolarHBondContact O-CG 3.47Å; T62-L66 PolarHBondContact O-N 3.32Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 PolarHBondContact O-N 3.35Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 3.38Å; L66-L69 WeakPolarHBondContact O-CB 3.46Å; L66-L69 PolarHBondContact O-N 3.2Å; L66-F70 HydrophobicContact CB-CE2 4.45Å; L66-F70 WeakPolarHBondContact O-CD2 3.21Å; L66-F70 PolarHBondContact O-N 3.25Å; L66-V93 HydrophobicContact CD1-CG1 4.25Å; L66-V93 HydrophobicContact CD1-CG2 4.41Å; L66-V115 HydrophobicContact CD1-CG1 4.2Å; L66-V117 HydrophobicContact CD1-CG2 3.91Å; L66-V117 HydrophobicContact CD2-CG2 4.26Å; L66-L125 HydrophobicContact CD2-CD1 4.26Å; L66-L125 HydrophobicContact CD2-CD2 3.8Å
67	R	87.4	Confident	85.3	Confident	158 Å²	158	53.7 Å²	53.7	60%	0.596	30%	0.303	S	S	*	.	H	α-helix	trans	-65	-39.2	176	-157.7	167.5	81.4	102.4	-2.4	111.4	G63 E64 N71 A90	G63-R67 PolarHBondContact O-N 2.94Å; E64-R67 PolarHBondContact O-N 3.07Å; R67-N71 VanDerWaalsContact O-CB 3.3Å; R67-N71 WeakPolarHBondContact O-CB 3.5Å; R67-N71 PolarHBondContact O-N 3.31Å; R67-N71 PolarHBondContact O-ND2 3.35Å; R67-A90 HydrophobicContact CB-CB 4.34Å; R67-A90 HydrophobicContact CG-CB 4.2Å
68	S	88.4	Confident	86	Confident	56 Å²	56	54.3 Å²	54.3	39%	0.392	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-45.3	172.9	-168.8	0	0	0	0	112.1	E64 S65 L66 N71 T72	E64-S68 PolarHBondContact O-N 2.86Å; S65-S68 WeakPolarHBondContact O-CB 3.2Å; S65-S68 PolarHBondContact O-N 2.9Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 3.38Å; S68-N71 PolarHBondContact O-N 2.76Å; S68-T72 PolarHBondContact O-N 3.49Å; S68-T72 PolarHBondContact O-OG1 2.81Å
69	L	92.6	Very high	85.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.4	-56.1	175.9	-174.8	155.9	0	0	0	110.6	V50 V54 S65 L66 N71 T72 L73 L226	V50-L69 HydrophobicContact CG1-CD1 4Å; V54-L69 HydrophobicContact CG1-CB 4.01Å; V54-L69 HydrophobicContact CG1-CD1 4.27Å; V54-L69 HydrophobicContact CG1-CG 4.27Å; S65-L69 WeakPolarHBondContact O-CB 3.34Å; S65-L69 PolarHBondContact O-N 3.3Å; L66-L69 WeakPolarHBondContact O-CB 3.46Å; L66-L69 PolarHBondContact O-N 3.2Å; L69-N71 PolarHBondContact O-N 3.25Å; L69-T72 WeakPolarHBondContact O-CB 3.33Å; L69-T72 PolarHBondContact O-N 2.96Å; L69-L73 HydrophobicContact CD2-CD1 3.67Å; L69-L73 HydrophobicContact CD2-CG 4.09Å; L69-L73 WeakPolarHBondContact O-CG 3.43Å; L69-L73 PolarHBondContact O-N 3.18Å; L69-L226 HydrophobicContact CD1-CD1 4.39Å; L69-L226 HydrophobicContact CG-CD1 4.41Å; L69-L226 HydrophobicContact CG-CD2 4.18Å
70	F	91.8	Very high	85.5	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-34.2	-177.9	-68.8	-53.1	0	0	0	113.5	L66 T72 L73 Q74 L89 A90 V93 L125 W148	L66-F70 HydrophobicContact CB-CE2 4.45Å; L66-F70 WeakPolarHBondContact O-CD2 3.21Å; L66-F70 PolarHBondContact O-N 3.25Å; F70-T72 VanDerWaalsContact C-N 3.26Å; F70-T72 PolarHBondContact O-N 2.97Å; F70-L73 HydrophobicContact CD1-CD1 4.25Å; F70-L73 PolarHBondContact O-N 3.17Å; F70-Q74 WeakPolarHBondContact O-CB 3.34Å; F70-Q74 VanDerWaalsContact O-CG 3.28Å; F70-Q74 WeakPolarHBondContact O-CG 3.35Å; F70-Q74 PolarHBondContact O-N 3.41Å; F70-L89 HydrophobicContact CB-CB 4.08Å; F70-L89 HydrophobicContact CB-CD1 4.23Å; F70-L89 HydrophobicContact CD1-CB 3.75Å; F70-L89 HydrophobicContact CD1-CD1 3.66Å; F70-L89 HydrophobicContact CD1-CG 4.35Å; F70-L89 HydrophobicContact CD2-CB 3.91Å; F70-L89 HydrophobicContact CE1-CB 4.14Å; F70-L89 HydrophobicContact CE1-CD1 4.34Å; F70-L89 HydrophobicContact CE2-CB 4.27Å; F70-L89 HydrophobicContact CG-CB 3.64Å; F70-L89 HydrophobicContact CG-CD1 4.13Å; F70-L89 HydrophobicContact CZ-CB 4.38Å; F70-A90 HydrophobicContact CD2-CB 4.04Å; F70-V93 HydrophobicContact CE2-CB 4.35Å; F70-V93 HydrophobicContact CE2-CG2 4.23Å; F70-V93 HydrophobicContact CZ-CG2 4.27Å; F70-L125 HydrophobicContact CZ-CD1 3.88Å; F70-W148 AromaticContact CE1-CH2 3.9Å; F70-W148 HydrophobicContact CE1-CH2 3.9Å; F70-W148 HydrophobicContact CE1-CZ2 4.4Å; F70-W148 AromaticContact CZ-CH2 3.74Å; F70-W148 HydrophobicContact CZ-CH2 3.74Å
71	N	89.6	Confident	84.1	Confident	71 Å²	71	54.9 Å²	54.9	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-38.6	171.5	-77.6	-22.6	0	0	0	111.6	R67 S68 L69 N75	R67-N71 VanDerWaalsContact O-CB 3.3Å; R67-N71 WeakPolarHBondContact O-CB 3.5Å; R67-N71 PolarHBondContact O-N 3.31Å; R67-N71 PolarHBondContact O-ND2 3.35Å; S68-N71 PolarHBondContact O-N 2.76Å; L69-N71 PolarHBondContact O-N 3.25Å; N71-N75 PolarHBondContact O-N 3.43Å; N71-N75 PolarHBondContact O-ND2 3.02Å
72	T	90.6	Very high	82.8	Confident	43 Å²	43	59.8 Å²	59.8	26%	0.264	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-47.1	176.4	-55.4	0	0	0	0	110.5	S68 L69 F70 Q74 N75 R76 L226	S68-T72 PolarHBondContact O-N 3.49Å; S68-T72 PolarHBondContact O-OG1 2.81Å; L69-T72 WeakPolarHBondContact O-CB 3.33Å; L69-T72 PolarHBondContact O-N 2.96Å; F70-T72 VanDerWaalsContact C-N 3.26Å; F70-T72 PolarHBondContact O-N 2.97Å; T72-Q74 VanDerWaalsContact C-N 3.32Å; T72-Q74 PolarHBondContact O-N 3.22Å; T72-N75 PolarHBondContact O-N 2.94Å; T72-N75 VanDerWaalsContact O-N 3.11Å; T72-R76 VanDerWaalsContact O-CG 3.28Å; T72-R76 WeakPolarHBondContact O-CG 3.45Å; T72-R76 PolarHBondContact O-N 3Å; T72-L226 HydrophobicContact CG2-CD2 3.93Å
73	L	91.6	Very high	81.5	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-37	177.8	-59.3	-170.9	0	0	0	112.7	L69 F70 N75 R76 Y132 L133 L222 L226	L69-L73 HydrophobicContact CD2-CD1 3.67Å; L69-L73 HydrophobicContact CD2-CG 4.09Å; L69-L73 WeakPolarHBondContact O-CG 3.43Å; L69-L73 PolarHBondContact O-N 3.18Å; F70-L73 HydrophobicContact CD1-CD1 4.25Å; F70-L73 PolarHBondContact O-N 3.17Å; L73-N75 PolarHBondContact O-N 3.44Å; L73-R76 WeakPolarHBondContact O-CA 3.27Å; L73-R76 WeakPolarHBondContact O-CB 3.38Å; L73-R76 PolarHBondContact O-N 3.47Å; L73-Y132 HydrophobicContact CB-CD1 4.13Å; L73-Y132 HydrophobicContact CB-CE1 4.15Å; L73-L133 HydrophobicContact CB-CD2 4.14Å; L73-L133 HydrophobicContact CD2-CD1 4.1Å; L73-L133 HydrophobicContact CD2-CD2 3.95Å; L73-L133 HydrophobicContact CD2-CG 4.32Å; L73-L133 HydrophobicContact CG-CD2 4.49Å; L73-L222 HydrophobicContact CD1-CD1 4Å; L73-L222 HydrophobicContact CD2-CD1 3.92Å; L73-L226 HydrophobicContact CD2-CD2 3.81Å; L73-L226 HydrophobicContact CD2-CG 4.38Å; L73-L226 HydrophobicContact CG-CD2 4.47Å
74	Q	89.3	Confident	80.9	Confident	33 Å²	33	63.2 Å²	63.2	15%	0.154	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-30.1	175.1	-78.3	177.9	5.6	0	0	113	F70 T72 V77 C87 Y132	F70-Q74 WeakPolarHBondContact O-CB 3.34Å; F70-Q74 VanDerWaalsContact O-CG 3.28Å; F70-Q74 WeakPolarHBondContact O-CG 3.35Å; F70-Q74 PolarHBondContact O-N 3.41Å; T72-Q74 VanDerWaalsContact C-N 3.32Å; T72-Q74 PolarHBondContact O-N 3.22Å; Q74-V77 WeakPolarHBondContact O-CG2 3.21Å; Q74-C87 PolarHBondContact NE2-O 3.11Å; Q74-C87 VanDerWaalsContact NE2-O 3.15Å; Q74-Y132 HydrophobicContact CG-CE1 4.4Å; Q74-Y132 WeakPolarHBondContact CG-OH 3.41Å
75	N	88.7	Confident	79.9	Confident	115 Å²	115	57.3 Å²	57.3	62%	0.615	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.2	175.1	-64	-30.6	0	0	0	113	N71 T72 L73	N71-N75 PolarHBondContact O-N 3.43Å; N71-N75 PolarHBondContact O-ND2 3.02Å; T72-N75 PolarHBondContact O-N 2.94Å; T72-N75 VanDerWaalsContact O-N 3.11Å; L73-N75 PolarHBondContact O-N 3.44Å
76	R	89	Confident	79	Confident	37 Å²	37	64.6 Å²	64.6	14%	0.14	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	12.4	-178.1	-64.8	-75.7	-179.6	-129.1	-4.4	112.5	T72 L73 L133 Y186 E187 S189	T72-R76 VanDerWaalsContact O-CG 3.28Å; T72-R76 WeakPolarHBondContact O-CG 3.45Å; T72-R76 PolarHBondContact O-N 3Å; L73-R76 WeakPolarHBondContact O-CA 3.27Å; L73-R76 WeakPolarHBondContact O-CB 3.38Å; L73-R76 PolarHBondContact O-N 3.47Å; R76-L133 HydrophobicContact CB-CD2 3.99Å; R76-Y186 HydrophobicContact CB-CD2 4.08Å; R76-Y186 HydrophobicContact CB-CE2 3.85Å; R76-Y186 HydrophobicContact CG-CE2 4.3Å; R76-Y186 CarbonylContact O-C 3.54Å; R76-Y186 WeakPolarHBondContact O-CA 3.25Å; R76-Y186 WeakPolarHBondContact O-CD2 3.33Å; R76-E187 VanDerWaalsContact CD-O 3.23Å; R76-E187 WeakPolarHBondContact CD-O 3.17Å; R76-E187 PolarHBondContact O-N 3.1Å; R76-S189 PolarHBondContact NH1-OG 3.11Å; R76-S189 PolarHBondContact NH2-OG 3.41Å
77	V	89.8	Confident	78.7	Confident	11 Å²	11	65.5 Å²	65.5	7%	0.067	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-126.2	135.2	179.3	-68.5	0	0	0	0	111.4	Q74 Y132 L133 P136 H185	Q74-V77 WeakPolarHBondContact O-CG2 3.21Å; V77-Y132 HydrophobicContact CG1-CD1 4.41Å; V77-Y132 HydrophobicContact CG1-CE1 4Å; V77-Y132 HydrophobicContact CG2-CE1 3.9Å; V77-Y132 WeakPolarHBondContact CG2-OH 3.34Å; V77-L133 HydrophobicContact CG1-CD2 4.01Å; V77-P136 HydrophobicContact CB-CB 4.38Å; V77-P136 HydrophobicContact CB-CG 4.22Å; V77-P136 HydrophobicContact CG1-CB 4.47Å; V77-P136 HydrophobicContact CG1-CG 4.48Å; V77-P136 HydrophobicContact CG2-CB 4.34Å; V77-H185 CarbonylContact C-O 3.26Å; V77-H185 VanDerWaalsContact CA-O 3.24Å; V77-H185 WeakPolarHBondContact CA-O 3.43Å
78	Q	84.8	Confident	78.6	Confident	103 Å²	103	63 Å²	63	48%	0.481	36%	0.36	S	S	.	.			trans	-127	131.2	177.5	-170.2	179.3	10.1	0	0	110.4	H185	Q78-H185 PolarHBondContact N-O 3.5Å; Q78-H185 PolarHBondContact O-CD2 3.01Å
79	C	73.8	Confident	78.5	Confident	24 Å²	24	60.4 Å²	60.4	16%	0.162	34%	0.342	C	S	.	.			trans	-112.2	65.2	176	-74.5	0	0	0	0	111.5	E81 V82 C84 P136 D137	C79-E81 PolarHBondContact O-N 2.98Å; C79-V82 CarbonylContact C-O 3.49Å; C79-V82 PolarHBondContact O-N 3.24Å; C79-C84 HydrophobicContact CB-CB 3.91Å; C79-C84 WeakPolarHBondContact SG-CB 3.39Å; C79-P136 VanDerWaalsContact SG-CG 3.55Å; C79-D137 PolarHBondContact SG-OD2 3.21Å
80	G	64.9	Low	78.1	Confident	59 Å²	59	61.7 Å²	61.7	61%	0.608	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-133.3	177.5	0	0	0	0	0	113.5	V82	G80-V82 VanDerWaalsContact C-N 3.29Å; G80-V82 PolarHBondContact O-N 3.22Å
81	E	50.6	Low	77.7	Confident	204 Å²	204	63.4 Å²	63.4	95%	0.953	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.3	-178	-64.9	-171.9	166.6	0	0	114.4	C79	C79-E81 PolarHBondContact O-N 2.98Å
82	V	54.8	Low	77.6	Confident	103 Å²	103	60.9 Å²	60.9	62%	0.624	36%	0.359	S	S	*	.	S	Bend	trans	-121.7	136.3	-177.9	-169.4	0	0	0	0	109.7	C79 G80 C84	C79-V82 CarbonylContact C-O 3.49Å; C79-V82 PolarHBondContact O-N 3.24Å; G80-V82 VanDerWaalsContact C-N 3.29Å; G80-V82 PolarHBondContact O-N 3.22Å; V82-C84 PolarHBondContact O-N 3Å
83	P	57.8	Low	77.5	Confident	115 Å²	115	59 Å²	59	75%	0.747	35%	0.347	S	S	*	.			trans	-57.1	130.2	172	-21.2	31.4	0	0	0	110.3	G85	P83-G85 PolarHBondContact O-N 3.42Å
84	C	66.1	Low	77.2	Confident	15 Å²	15	63.4 Å²	63.4	10%	0.101	37%	0.368	C	S	.	.			trans	-53.8	139.4	169.6	61.9	0	0	0	0	109.2	C79 V82 K86 P136	C79-C84 HydrophobicContact CB-CB 3.91Å; C79-C84 WeakPolarHBondContact SG-CB 3.39Å; V82-C84 PolarHBondContact O-N 3Å; C84-K86 PolarHBondContact O-N 3.23Å; C84-P136 HydrophobicContact CB-CB 4.42Å; C84-P136 HydrophobicContact CB-CG 4.38Å
85	G	60.1	Low	77.2	Confident	44 Å²	44	63.7 Å²	63.7	45%	0.454	37%	0.369	S	S	.	.			trans	-61.1	113.6	179.4	0	0	0	0	0	109.9	P83 C87 C140	P83-G85 PolarHBondContact O-N 3.42Å; G85-C87 PolarHBondContact O-N 3.36Å; G85-C140 PolarHBondContact O-SG 2.94Å
86	K	69	Low	77	Confident	160 Å²	160	58.9 Å²	58.9	70%	0.696	34%	0.343	S	S	*	.			trans	-67.7	105.9	175.5	-65.6	-172.9	179.7	-171	0	109.4	C84	C84-K86 PolarHBondContact O-N 3.23Å
87	C	82.4	Confident	76.7	Confident	21 Å²	21	58.3 Å²	58.3	14%	0.142	34%	0.343	C	S	.	.			trans	-99.2	153.1	173.6	58.8	0	0	0	0	111.9	Q74 G85 L89 C140	Q74-C87 PolarHBondContact NE2-O 3.11Å; Q74-C87 VanDerWaalsContact NE2-O 3.15Å; G85-C87 PolarHBondContact O-N 3.36Å; C87-L89 PolarHBondContact O-N 3.34Å; C87-C140 HydrophobicContact CB-CB 3.54Å; C87-C140 WeakPolarHBondContact CB-SG 3.39Å; C87-C140 WeakPolarHBondContact SG-CA 3.34Å; C87-C140 WeakPolarHBondContact SG-CB 3.41Å; C87-C140 CovalentContact SG-SG 2.05Å; C87-C140 PolarHBondContact SG-SG 2.71Å
88	D	84.3	Confident	75.7	Confident	107 Å²	107	60 Å²	60	57%	0.572	36%	0.363	S	S	*	.			trans	-78.2	85.9	178.4	-175.4	13.1	0	0	0	111.3	A90 G91 S92	D88-A90 PolarHBondContact OD1-N 3.22Å; D88-G91 PolarHBondContact OD1-N 2.91Å; D88-S92 WeakPolarHBondContact O-CB 3.4Å; D88-S92 PolarHBondContact O-N 3.07Å; D88-S92 PolarHBondContact O-OG 3.39Å
89	L	87.3	Confident	73.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-69.8	-39.3	176	-62.5	175.6	0	0	0	111.9	F70 C87 S92 V93 Y132 V139 V143 W148	F70-L89 HydrophobicContact CB-CB 4.08Å; F70-L89 HydrophobicContact CB-CD1 4.23Å; F70-L89 HydrophobicContact CD1-CB 3.75Å; F70-L89 HydrophobicContact CD1-CD1 3.66Å; F70-L89 HydrophobicContact CD1-CG 4.35Å; F70-L89 HydrophobicContact CD2-CB 3.91Å; F70-L89 HydrophobicContact CE1-CB 4.14Å; F70-L89 HydrophobicContact CE1-CD1 4.34Å; F70-L89 HydrophobicContact CE2-CB 4.27Å; F70-L89 HydrophobicContact CG-CB 3.64Å; F70-L89 HydrophobicContact CG-CD1 4.13Å; F70-L89 HydrophobicContact CZ-CB 4.38Å; C87-L89 PolarHBondContact O-N 3.34Å; L89-S92 CarbonylContact O-C 3.56Å; L89-S92 PolarHBondContact O-N 3.32Å; L89-S92 VanDerWaalsContact O-N 3.15Å; L89-V93 PolarHBondContact O-N 3.38Å; L89-Y132 HydrophobicContact CD1-CD1 4.03Å; L89-Y132 HydrophobicContact CD1-CD2 3.79Å; L89-Y132 HydrophobicContact CD1-CE1 4.04Å; L89-Y132 HydrophobicContact CD1-CE2 3.78Å; L89-Y132 HydrophobicContact CD1-CG 3.92Å; L89-Y132 HydrophobicContact CD2-CD2 4.11Å; L89-Y132 HydrophobicContact CD2-CE2 4.42Å; L89-V139 HydrophobicContact CD2-CG1 3.89Å; L89-V143 HydrophobicContact CD2-CG2 4.13Å; L89-W148 HydrophobicContact CB-CH2 4.1Å; L89-W148 HydrophobicContact CD2-CH2 3.88Å; L89-W148 HydrophobicContact CD2-CZ2 3.98Å; L89-W148 HydrophobicContact CD2-CZ3 4.33Å
90	A	84.7	Confident	72.3	Confident	27 Å²	27	67.9 Å²	67.9	22%	0.223	40%	0.4	C	S	.	.	H	α-helix	trans	-65.8	-43.5	-177.3	0	0	0	0	0	111.5	R67 F70 D88 S92 V93	R67-A90 HydrophobicContact CB-CB 4.34Å; R67-A90 HydrophobicContact CG-CB 4.2Å; F70-A90 HydrophobicContact CD2-CB 4.04Å; D88-A90 PolarHBondContact OD1-N 3.22Å; A90-S92 PolarHBondContact O-N 3.28Å; A90-V93 WeakPolarHBondContact O-CG1 3.42Å
91	G	82.9	Confident	70.9	Confident	40 Å²	40	70.2 Å²	70.2	41%	0.412	41%	0.407	S	S	.	.	H	α-helix	trans	-67.5	-20.8	174.3	0	0	0	0	0	113.9	D88 H94	D88-G91 PolarHBondContact OD1-N 2.91Å; G91-H94 PolarHBondContact O-CE1 2.58Å; G91-H94 PolarHBondContact O-ND1 2.79Å
92	S	87.4	Confident	70.1	Confident	18 Å²	18	65.3 Å²	65.3	13%	0.126	39%	0.391	C	S	.	.	H	α-helix	trans	-104.5	1.6	-174.9	-54.9	0	0	0	0	114.3	D88 L89 A90 H94 Q95 V143	D88-S92 WeakPolarHBondContact O-CB 3.4Å; D88-S92 PolarHBondContact O-N 3.07Å; D88-S92 PolarHBondContact O-OG 3.39Å; L89-S92 CarbonylContact O-C 3.56Å; L89-S92 PolarHBondContact O-N 3.32Å; L89-S92 VanDerWaalsContact O-N 3.15Å; A90-S92 PolarHBondContact O-N 3.28Å; S92-H94 PolarHBondContact O-N 3.21Å; S92-H94 VanDerWaalsContact O-N 3.1Å; S92-Q95 VanDerWaalsContact O-CB 3.29Å; S92-Q95 WeakPolarHBondContact O-CB 3.34Å; S92-Q95 WeakPolarHBondContact O-CG 3.48Å; S92-Q95 PolarHBondContact O-N 2.96Å; S92-V143 WeakPolarHBondContact OG-CG1 3.45Å
93	V	88.3	Confident	68.9	Low	3 Å²	3	70.1 Å²	70.1	2%	0.018	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.4	-178.1	74.8	0	0	0	0	113.1	L66 F70 L89 A90 Q95 L96 I97 V115 L125	L66-V93 HydrophobicContact CD1-CG1 4.25Å; L66-V93 HydrophobicContact CD1-CG2 4.41Å; F70-V93 HydrophobicContact CE2-CB 4.35Å; F70-V93 HydrophobicContact CE2-CG2 4.23Å; F70-V93 HydrophobicContact CZ-CG2 4.27Å; L89-V93 PolarHBondContact O-N 3.38Å; A90-V93 WeakPolarHBondContact O-CG1 3.42Å; V93-Q95 PolarHBondContact O-N 3.42Å; V93-Q95 VanDerWaalsContact O-N 3.12Å; V93-L96 PolarHBondContact O-N 2.9Å; V93-I97 HydrophobicContact CG1-CD1 4.44Å; V93-I97 HydrophobicContact CG2-CG2 4.43Å; V93-I97 PolarHBondContact O-N 3.24Å; V93-V115 HydrophobicContact CG1-CG1 4.05Å; V93-L125 HydrophobicContact CG2-CD1 3.76Å
94	H	86.1	Confident	67.4	Low	93 Å²	93	67.9 Å²	67.9	43%	0.431	40%	0.404	S	S	.	.	H	α-helix	trans	-57.5	-24.2	174.7	67.2	-90.9	0	0	0	113.1	G91 S92 L96	G91-H94 PolarHBondContact O-CE1 2.58Å; G91-H94 PolarHBondContact O-ND1 2.79Å; S92-H94 PolarHBondContact O-N 3.21Å; S92-H94 VanDerWaalsContact O-N 3.1Å; H94-L96 VanDerWaalsContact C-N 3.31Å
95	Q	87.9	Confident	65.8	Low	39 Å²	39	78.9 Å²	78.9	18%	0.182	44%	0.443	C	S	.	.	H	α-helix	trans	-65.8	-33.5	174.1	-62.2	-178.8	26.4	0	0	111.7	S92 V93 V143 W148 A149	S92-Q95 VanDerWaalsContact O-CB 3.29Å; S92-Q95 WeakPolarHBondContact O-CB 3.34Å; S92-Q95 WeakPolarHBondContact O-CG 3.48Å; S92-Q95 PolarHBondContact O-N 2.96Å; V93-Q95 PolarHBondContact O-N 3.42Å; V93-Q95 VanDerWaalsContact O-N 3.12Å; Q95-V143 PolarHBondContact NE2-O 3.03Å; Q95-W148 HydrophobicContact CB-CB 4.17Å; Q95-W148 VanDerWaalsContact OE1-CB 3.3Å; Q95-A149 WeakPolarHBondContact O-CB 3.4Å
96	L	85.9	Confident	64.3	Low	14 Å²	14	85.9 Å²	85.9	7%	0.073	46%	0.464	C	S	.	.	H	α-helix	trans	-85.4	-43	-178.9	-68.6	178.4	0	0	0	113.6	V93 H94 G98 W148 A149 T152	V93-L96 PolarHBondContact O-N 2.9Å; H94-L96 VanDerWaalsContact C-N 3.31Å; L96-G98 PolarHBondContact O-N 3.21Å; L96-W148 HydrophobicContact CD1-CD2 3.82Å; L96-W148 HydrophobicContact CD1-CE3 3.96Å; L96-W148 HydrophobicContact CD1-CH2 3.65Å; L96-W148 HydrophobicContact CD1-CZ2 3.48Å; L96-W148 VanDerWaalsContact CD1-CZ2 3.48Å; L96-W148 HydrophobicContact CD1-CZ3 3.88Å; L96-W148 HydrophobicContact CD2-CD2 3.98Å; L96-W148 HydrophobicContact CD2-CG 3.93Å; L96-W148 HydrophobicContact CG-CD2 3.71Å; L96-W148 HydrophobicContact CG-CE3 3.83Å; L96-W148 HydrophobicContact CG-CG 4.17Å; L96-W148 HydrophobicContact CG-CH2 4.43Å; L96-W148 HydrophobicContact CG-CZ2 4.32Å; L96-W148 HydrophobicContact CG-CZ3 4.2Å; L96-A149 HydrophobicContact CD2-CB 4.35Å; L96-T152 HydrophobicContact CD2-CG2 4.34Å; L96-T152 WeakPolarHBondContact CD2-OG1 3.48Å
97	I	82.3	Confident	62.8	Low	24 Å²	24	87.7 Å²	87.7	12%	0.123	48%	0.475	C	S	.	.	H	α-helix	trans	-87.6	-2.8	-167.5	63.4	179.6	0	0	0	114.3	V93 V115 V117 Q121	V93-I97 HydrophobicContact CG1-CD1 4.44Å; V93-I97 HydrophobicContact CG2-CG2 4.43Å; V93-I97 PolarHBondContact O-N 3.24Å; I97-V115 HydrophobicContact CD1-CG1 3.72Å; I97-V117 HydrophobicContact CD1-CG2 4.18Å; I97-V117 HydrophobicContact CG2-CG1 4.42Å; I97-V117 HydrophobicContact CG2-CG2 4.25Å; I97-Q121 HydrophobicContact CB-CB 4.22Å; I97-Q121 HydrophobicContact CB-CG 4.27Å; I97-Q121 HydrophobicContact CG2-CB 4.12Å; I97-Q121 PolarHBondContact O-NE2 3.14Å
98	G	68	Low	60.4	Low	48 Å²	48	92 Å²	92	50%	0.495	51%	0.505	S	S	.	.			trans	73.4	132.7	178.9	0	0	0	0	0	113	L96 H100	L96-G98 PolarHBondContact O-N 3.21Å; G98-H100 PolarHBondContact O-N 3.5Å
99	N	48	Very low	58.3	Low	99 Å²	99	90.2 Å²	90.2	53%	0.529	51%	0.512	S	S	.	.			trans	-88.7	94.3	-172.7	-155.8	1.1	0	0	0	111.5	S101 V102	N99-S101 PolarHBondContact OD1-N 2.96Å; N99-V102 VanDerWaalsContact ND2-CG2 3.26Å; N99-V102 WeakPolarHBondContact ND2-CG2 3.45Å
100	H	39.8	Very low	55.7	Low	192 Å²	192	99.6 Å²	99.6	89%	0.889	55%	0.553	S	S	*	*	S	Bend	trans	-99.8	67.4	158.2	-104.1	-36.7	0	0	0	109.9	G98	G98-H100 PolarHBondContact O-N 3.5Å
101	S	35.9	Very low	53.4	Low	108 Å²	108	103.6 Å²	103.6	76%	0.755	57%	0.574	S	S	*	*			trans	167.9	67.4	144.3	46.2	0	0	0	0	113.1	N99	N99-S101 PolarHBondContact OD1-N 2.96Å
102	V	32.2	Very low	51.4	Low	102 Å²	102	110 Å²	110	62%	0.618	59%	0.594	S	S	*	*			trans	-128.6	79.9	157.1	-174.2	0	0	0	0	109.9	N99	N99-V102 VanDerWaalsContact ND2-CG2 3.26Å; N99-V102 WeakPolarHBondContact ND2-CG2 3.45Å
103	H	29.6	Very low	49.6	Very low	204 Å²	204	114.7 Å²	114.7	94%	0.944	62%	0.617	S	S	*	*			trans	-119.8	99.5	150.3	-112.5	32.7	0	0	0	107.2
104	G	28.2	Very low	48.1	Very low	67 Å²	67	122.2 Å²	122.2	69%	0.691	66%	0.657	S	S	*	*			trans	166.5	82.2	-179.6	0	0	0	0	0	110.7	E106	G104-E106 PolarHBondContact O-N 2.91Å
105	R	32.2	Very low	47.4	Very low	246 Å²	246	119.6 Å²	119.6	93%	0.928	65%	0.648	S	S	*	*			trans	-71.4	108.4	165.5	179.3	-177.5	-169.5	157.5	3.1	107.3
106	E	27.6	Very low	47	Very low	192 Å²	192	121.5 Å²	121.5	90%	0.897	66%	0.662	S	S	*	*			trans	-140.4	132.3	161	-98.9	-178.2	-176.1	0	0	111.8	G104 S108	G104-E106 PolarHBondContact O-N 2.91Å; E106-S108 PolarHBondContact O-N 3.44Å
107	E	38.1	Very low	46.8	Very low	198 Å²	198	120.9 Å²	120.9	93%	0.925	66%	0.659	S	S	*	*			trans	-73.7	109.1	173.5	-67	170.9	149.2	0	0	109.5
108	S	31.8	Very low	46.9	Very low	111 Å²	111	122.2 Å²	122.2	78%	0.776	67%	0.67	S	S	*	*			trans	178.3	139.9	146.7	-179.5	0	0	0	0	109	E106	E106-S108 PolarHBondContact O-N 3.44Å
109	G	39.3	Very low	47.7	Very low	70 Å²	70	122 Å²	122	72%	0.722	66%	0.659	S	S	*	*	S	Bend	trans	-61.1	156.8	-175.1	0	0	0	0	0	115.2
110	K	33	Very low	49.4	Very low	197 Å²	197	122.2 Å²	122.2	86%	0.857	67%	0.669	S	S	*	*			trans	81	85.2	-178.1	-65.9	-171.4	173	-169.8	0	115.4
111	V	37.8	Very low	51.7	Low	110 Å²	110	115.5 Å²	115.5	67%	0.667	64%	0.638	S	S	*	*			trans	-94.8	92.7	158.9	-179.1	0	0	0	0	106.8	D113	V111-D113 HydrophobicContact CG1-CB 4.26Å; V111-D113 WeakPolarHBondContact CG1-OD1 3.47Å; V111-D113 VanDerWaalsContact CG1-OD2 3.22Å; V111-D113 WeakPolarHBondContact CG1-OD2 3.46Å; V111-D113 PolarHBondContact O-N 3.32Å
112	E	40.1	Very low	54.4	Low	175 Å²	175	110.4 Å²	110.4	82%	0.818	60%	0.602	S	S	*	*			trans	-85.9	91.1	159	-83.2	176.5	172.1	0	0	106.1	N114	E112-N114 PolarHBondContact O-N 2.95Å
113	D	48.6	Very low	57.2	Low	117 Å²	117	107.5 Å²	107.5	63%	0.626	59%	0.585	S	S	*	*			trans	-73.1	117.3	-179.3	-82	-36	0	0	0	111	V111 V115	V111-D113 HydrophobicContact CG1-CB 4.26Å; V111-D113 WeakPolarHBondContact CG1-OD1 3.47Å; V111-D113 VanDerWaalsContact CG1-OD2 3.22Å; V111-D113 WeakPolarHBondContact CG1-OD2 3.46Å; V111-D113 PolarHBondContact O-N 3.32Å; D113-V115 HydrophobicContact CB-CG2 3.83Å; D113-V115 PolarHBondContact O-N 2.96Å
114	N	57.6	Low	60.1	Low	161 Å²	161	99.5 Å²	99.5	86%	0.861	55%	0.554	S	S	*	*			trans	-71.9	67.9	166	-77	-25.6	0	0	0	110.2	E112 T116	E112-N114 PolarHBondContact O-N 2.95Å; N114-T116 PolarHBondContact O-N 3.44Å
115	V	70.6	Confident	63.2	Low	38 Å²	38	96.3 Å²	96.3	23%	0.23	52%	0.521	C	S	.	.			trans	-72.3	120.2	174	-176	0	0	0	0	109.1	T62 G63 L66 V93 I97 D113	T62-V115 CarbonylContact C-O 3.5Å; G63-V115 PolarHBondContact N-O 3.29Å; L66-V115 HydrophobicContact CD1-CG1 4.2Å; V93-V115 HydrophobicContact CG1-CG1 4.05Å; I97-V115 HydrophobicContact CD1-CG1 3.72Å; D113-V115 HydrophobicContact CB-CG2 3.83Å; D113-V115 PolarHBondContact O-N 2.96Å
116	T	79.6	Confident	66.2	Low	79 Å²	79	84.6 Å²	84.6	49%	0.485	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.4	171.1	57.2	0	0	0	0	109.6	F60 L61 N114	F60-T116 HydrophobicContact CD2-CG2 4.03Å; F60-T116 HydrophobicContact CE2-CG2 4.3Å; L61-T116 WeakPolarHBondContact O-CA 3.47Å; N114-T116 PolarHBondContact O-N 3.44Å
117	V	82.8	Confident	69.3	Low	1 Å²	1	75.4 Å²	75.4	1%	0.006	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.5	176.8	-178.2	0	0	0	0	108.8	Y47 L61 L66 I97 Q121 L125	Y47-V117 PolarHBondContact OH-O 2.86Å; L61-V117 HydrophobicContact CB-CB 4.19Å; L61-V117 HydrophobicContact CD1-CB 4.49Å; L61-V117 PolarHBondContact O-N 3.13Å; L61-V117 VanDerWaalsContact O-N 3.07Å; L66-V117 HydrophobicContact CD1-CG2 3.91Å; L66-V117 HydrophobicContact CD2-CG2 4.26Å; I97-V117 HydrophobicContact CD1-CG2 4.18Å; I97-V117 HydrophobicContact CG2-CG1 4.42Å; I97-V117 HydrophobicContact CG2-CG2 4.25Å; V117-Q121 HydrophobicContact CG1-CB 3.76Å; V117-L125 HydrophobicContact CG1-CD2 4.1Å; V117-L125 HydrophobicContact CG2-CD2 4.4Å
118	S	83.3	Confident	72	Confident	51 Å²	51	66 Å²	66	36%	0.357	39%	0.39	S	S	.	.			trans	-97.3	168.7	174.8	67.7	0	0	0	0	112.1	S120 Q121 F122	S118-S120 PolarHBondContact O-N 2.92Å; S118-S120 VanDerWaalsContact O-N 3.15Å; S118-S120 PolarHBondContact OG-OG 3.47Å; S118-Q121 PolarHBondContact O-N 3.47Å; S118-F122 PolarHBondContact O-N 2.86Å
119	V	85.8	Confident	75	Confident	44 Å²	44	60.7 Å²	60.7	27%	0.267	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-52.7	-36.7	176.8	-175.7	0	0	0	0	112.1	V43 E44 Y47 Q121 F122 P123	V43-V119 HydrophobicContact CG1-CG1 4.28Å; E44-V119 HydrophobicContact CB-CG1 4.15Å; E44-V119 HydrophobicContact CG-CG1 4.46Å; E44-V119 HydrophobicContact CG-CG2 4.41Å; Y47-V119 HydrophobicContact CD1-CG2 3.59Å; Y47-V119 HydrophobicContact CE1-CG2 3.8Å; Y47-V119 HydrophobicContact CG-CG2 4.13Å; V119-Q121 VanDerWaalsContact C-N 3.28Å; V119-Q121 PolarHBondContact O-N 3.27Å; V119-F122 WeakPolarHBondContact O-CB 3.26Å; V119-F122 PolarHBondContact O-N 3.35Å; V119-P123 WeakPolarHBondContact O-CD 3.26Å
120	S	84.4	Confident	77.7	Confident	104 Å²	104	57.4 Å²	57.4	73%	0.727	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-69.5	-23.6	-179.8	60.8	0	0	0	0	114	S118	S118-S120 PolarHBondContact O-N 2.92Å; S118-S120 VanDerWaalsContact O-N 3.15Å; S118-S120 PolarHBondContact OG-OG 3.47Å
121	Q	88.4	Confident	80.7	Confident	51 Å²	51	48.2 Å²	48.2	24%	0.238	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-95.5	-12.3	178.5	-69	172.5	-40.5	0	0	112.2	I97 V117 S118 V119 A124 L125	I97-Q121 HydrophobicContact CB-CB 4.22Å; I97-Q121 HydrophobicContact CB-CG 4.27Å; I97-Q121 HydrophobicContact CG2-CB 4.12Å; I97-Q121 PolarHBondContact O-NE2 3.14Å; V117-Q121 HydrophobicContact CG1-CB 3.76Å; S118-Q121 PolarHBondContact O-N 3.47Å; V119-Q121 VanDerWaalsContact C-N 3.28Å; V119-Q121 PolarHBondContact O-N 3.27Å; Q121-A124 PolarHBondContact O-N 3.24Å; Q121-L125 PolarHBondContact O-N 2.87Å
122	F	90.9	Very high	83.4	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-40.7	-177.1	178.6	-115.7	0	0	0	114.6	V43 A46 Y47 V50 S118 V119 A124 L125 A126	V43-F122 HydrophobicContact CG1-CD1 4.12Å; A46-F122 HydrophobicContact CB-CE1 3.99Å; Y47-F122 HydrophobicContact CD2-CB 3.66Å; Y47-F122 HydrophobicContact CD2-CD1 4.2Å; Y47-F122 AromaticContact CD2-CD2 3.54Å; Y47-F122 HydrophobicContact CD2-CD2 3.54Å; Y47-F122 HydrophobicContact CD2-CE2 4.17Å; Y47-F122 AromaticContact CD2-CG 3.54Å; Y47-F122 HydrophobicContact CD2-CG 3.54Å; Y47-F122 HydrophobicContact CE2-CB 4.31Å; Y47-F122 HydrophobicContact CE2-CD2 4.31Å; Y47-F122 HydrophobicContact CE2-CG 4.48Å; Y47-F122 HydrophobicContact CG-CB 4.43Å; Y47-F122 HydrophobicContact CG-CG 4.25Å; V50-F122 HydrophobicContact CB-CE2 4.14Å; V50-F122 HydrophobicContact CB-CZ 4.24Å; V50-F122 HydrophobicContact CG1-CE2 4.32Å; V50-F122 HydrophobicContact CG2-CE2 4.05Å; V50-F122 HydrophobicContact CG2-CZ 3.79Å; S118-F122 PolarHBondContact O-N 2.86Å; V119-F122 WeakPolarHBondContact O-CB 3.26Å; V119-F122 PolarHBondContact O-N 3.35Å; F122-A124 VanDerWaalsContact C-N 3.28Å; F122-A124 PolarHBondContact O-N 3.5Å; F122-L125 PolarHBondContact O-N 3.31Å; F122-L125 VanDerWaalsContact O-N 3.11Å; F122-A126 HydrophobicContact CE1-CB 4.41Å; F122-A126 HydrophobicContact CE2-CB 4.3Å; F122-A126 HydrophobicContact CZ-CB 4.19Å; F122-A126 WeakPolarHBondContact O-CB 3.29Å; F122-A126 PolarHBondContact O-N 2.94Å
123	P	91.6	Very high	86	Confident	41 Å²	41	34.7 Å²	34.7	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-57	-40.8	179.4	-27.4	35.5	0	0	0	113.4	V43 V119 A127	V43-P123 HydrophobicContact CG1-CG 3.96Å; V119-P123 WeakPolarHBondContact O-CD 3.26Å; P123-A127 WeakPolarHBondContact O-CB 3.19Å; P123-A127 PolarHBondContact O-N 3.04Å
124	A	91	Very high	88.1	Confident	36 Å²	36	29.1 Å²	29.1	30%	0.298	18%	0.179	S	C	.	.	H	α-helix	trans	-68.9	-40.9	177.2	0	0	0	0	0	111.8	Q121 F122 G128	Q121-A124 PolarHBondContact O-N 3.24Å; F122-A124 VanDerWaalsContact C-N 3.28Å; F122-A124 PolarHBondContact O-N 3.5Å; A124-G128 PolarHBondContact O-N 3.27Å
125	L	92.8	Very high	89.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-44.9	175.1	-179.4	67.7	0	0	0	111.6	L61 L66 F70 V93 V117 Q121 F122 S129	L61-L125 HydrophobicContact CD1-CD2 3.62Å; L66-L125 HydrophobicContact CD2-CD1 4.26Å; L66-L125 HydrophobicContact CD2-CD2 3.8Å; F70-L125 HydrophobicContact CZ-CD1 3.88Å; V93-L125 HydrophobicContact CG2-CD1 3.76Å; V117-L125 HydrophobicContact CG1-CD2 4.1Å; V117-L125 HydrophobicContact CG2-CD2 4.4Å; Q121-L125 PolarHBondContact O-N 2.87Å; F122-L125 PolarHBondContact O-N 3.31Å; F122-L125 VanDerWaalsContact O-N 3.11Å; L125-S129 VanDerWaalsContact O-CB 3.27Å; L125-S129 WeakPolarHBondContact O-CB 3.38Å; L125-S129 PolarHBondContact O-N 3.38Å; L125-S129 PolarHBondContact O-OG 2.86Å
126	A	94.6	Very high	90.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-49.7	179	0	0	0	0	0	110.9	F122 G128 S129 V130 L218 L222	F122-A126 HydrophobicContact CE1-CB 4.41Å; F122-A126 HydrophobicContact CE2-CB 4.3Å; F122-A126 HydrophobicContact CZ-CB 4.19Å; F122-A126 WeakPolarHBondContact O-CB 3.29Å; F122-A126 PolarHBondContact O-N 2.94Å; A126-G128 PolarHBondContact O-N 2.92Å; A126-S129 PolarHBondContact O-N 2.91Å; A126-V130 WeakPolarHBondContact O-CG2 3.4Å; A126-V130 PolarHBondContact O-N 3.21Å; A126-L218 HydrophobicContact CB-CB 4.39Å; A126-L222 HydrophobicContact CB-CD2 4.39Å
127	A	94.3	Very high	91.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.6	-46.1	177.2	0	0	0	0	0	112.6	P123 S129 V130 L131 T152 L156 L218	P123-A127 WeakPolarHBondContact O-CB 3.19Å; P123-A127 PolarHBondContact O-N 3.04Å; A127-S129 VanDerWaalsContact C-N 3.3Å; A127-S129 PolarHBondContact O-N 3.44Å; A127-V130 PolarHBondContact O-N 3.27Å; A127-L131 WeakPolarHBondContact O-CB 3.27Å; A127-L131 PolarHBondContact O-N 3.17Å; A127-T152 HydrophobicContact CB-CG2 3.63Å; A127-L156 HydrophobicContact CB-CD1 4.05Å; A127-L156 HydrophobicContact CB-CD2 3.83Å; A127-L156 HydrophobicContact CB-CG 4.11Å; A127-L218 HydrophobicContact CB-CD1 3.82Å
128	G	94.1	Very high	91.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-31.1	178.6	0	0	0	0	0	113.4	A124 A126 Y132	A124-G128 PolarHBondContact O-N 3.27Å; A126-G128 PolarHBondContact O-N 2.92Å; G128-Y132 PolarHBondContact O-N 3.44Å; G128-Y132 VanDerWaalsContact O-N 3.14Å
129	S	95.3	Very high	92.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-72.8	-42.1	174.8	-59.8	0	0	0	0	112.1	L125 A126 A127 Y132 L133	L125-S129 VanDerWaalsContact O-CB 3.27Å; L125-S129 WeakPolarHBondContact O-CB 3.38Å; L125-S129 PolarHBondContact O-N 3.38Å; L125-S129 PolarHBondContact O-OG 2.86Å; A126-S129 PolarHBondContact O-N 2.91Å; A127-S129 VanDerWaalsContact C-N 3.3Å; A127-S129 PolarHBondContact O-N 3.44Å; S129-Y132 WeakPolarHBondContact O-CB 3.44Å; S129-Y132 PolarHBondContact O-N 3.23Å; S129-L133 WeakPolarHBondContact O-CG 3.24Å; S129-L133 PolarHBondContact O-N 3.38Å; S129-L133 VanDerWaalsContact O-N 3.13Å
130	V	96.3	Very high	92.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.7	-42	175.1	174.8	0	0	0	0	110.6	A126 A127 Y132 L133 S134 F155 V178 L182 L218 V221 L222	A126-V130 WeakPolarHBondContact O-CG2 3.4Å; A126-V130 PolarHBondContact O-N 3.21Å; A127-V130 PolarHBondContact O-N 3.27Å; V130-Y132 VanDerWaalsContact C-N 3.27Å; V130-Y132 PolarHBondContact O-N 2.88Å; V130-L133 WeakPolarHBondContact O-CB 3.32Å; V130-L133 PolarHBondContact O-N 3.45Å; V130-L133 VanDerWaalsContact O-N 3.08Å; V130-S134 PolarHBondContact O-N 2.84Å; V130-S134 PolarHBondContact O-OG 2.72Å; V130-F155 HydrophobicContact CG1-CE1 4.31Å; V130-F155 HydrophobicContact CG1-CZ 4.03Å; V130-V178 HydrophobicContact CG1-CG1 3.67Å; V130-L182 HydrophobicContact CG1-CD2 4.41Å; V130-L218 HydrophobicContact CG1-CD2 4.41Å; V130-L218 HydrophobicContact CG2-CB 4.31Å; V130-V221 HydrophobicContact CG1-CG1 4.2Å; V130-V221 HydrophobicContact CG2-CB 4.2Å; V130-V221 HydrophobicContact CG2-CG1 3.88Å; V130-L222 HydrophobicContact CG2-CB 4.42Å
131	L	95.3	Very high	92.6	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-57.4	-40.5	173.2	174.6	59.4	0	0	0	112	A127 L133 S134 S135 L138 V139 E151 F155	A127-L131 WeakPolarHBondContact O-CB 3.27Å; A127-L131 PolarHBondContact O-N 3.17Å; L131-L133 VanDerWaalsContact C-N 3.34Å; L131-L133 PolarHBondContact O-N 3.38Å; L131-S134 PolarHBondContact O-N 3.09Å; L131-S135 PolarHBondContact O-N 3.48Å; L131-L138 HydrophobicContact CD1-CD2 4.43Å; L131-V139 HydrophobicContact CB-CG2 4.4Å; L131-V139 HydrophobicContact CD2-CG2 3.96Å; L131-V139 HydrophobicContact CG-CG2 3.6Å; L131-E151 HydrophobicContact CD2-CB 4.11Å; L131-F155 HydrophobicContact CB-CB 4.49Å; L131-F155 HydrophobicContact CB-CD1 4.13Å; L131-F155 HydrophobicContact CB-CE1 4.5Å; L131-F155 HydrophobicContact CB-CG 4.13Å; L131-F155 HydrophobicContact CD1-CB 3.87Å; L131-F155 HydrophobicContact CD1-CD2 3.72Å; L131-F155 HydrophobicContact CD1-CE2 4.42Å; L131-F155 HydrophobicContact CD1-CG 3.84Å; L131-F155 HydrophobicContact CD2-CB 4.08Å; L131-F155 HydrophobicContact CG-CB 4.35Å; L131-F155 HydrophobicContact CG-CG 4.38Å
132	Y	94.4	Very high	92.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-41.1	175.4	175.1	-97.4	0	0	0	112.3	L73 Q74 V77 L89 G128 S129 V130 S134 P136 V139	L73-Y132 HydrophobicContact CB-CD1 4.13Å; L73-Y132 HydrophobicContact CB-CE1 4.15Å; Q74-Y132 HydrophobicContact CG-CE1 4.4Å; Q74-Y132 WeakPolarHBondContact CG-OH 3.41Å; V77-Y132 HydrophobicContact CG1-CD1 4.41Å; V77-Y132 HydrophobicContact CG1-CE1 4Å; V77-Y132 HydrophobicContact CG2-CE1 3.9Å; V77-Y132 WeakPolarHBondContact CG2-OH 3.34Å; L89-Y132 HydrophobicContact CD1-CD1 4.03Å; L89-Y132 HydrophobicContact CD1-CD2 3.79Å; L89-Y132 HydrophobicContact CD1-CE1 4.04Å; L89-Y132 HydrophobicContact CD1-CE2 3.78Å; L89-Y132 HydrophobicContact CD1-CG 3.92Å; L89-Y132 HydrophobicContact CD2-CD2 4.11Å; L89-Y132 HydrophobicContact CD2-CE2 4.42Å; G128-Y132 PolarHBondContact O-N 3.44Å; G128-Y132 VanDerWaalsContact O-N 3.14Å; S129-Y132 WeakPolarHBondContact O-CB 3.44Å; S129-Y132 PolarHBondContact O-N 3.23Å; V130-Y132 VanDerWaalsContact C-N 3.27Å; V130-Y132 PolarHBondContact O-N 2.88Å; Y132-S134 VanDerWaalsContact C-N 3.31Å; Y132-S134 PolarHBondContact O-N 3.36Å; Y132-P136 HydrophobicContact CD2-CB 4.21Å; Y132-P136 HydrophobicContact CE2-CB 3.8Å; Y132-P136 WeakPolarHBondContact O-CA 3.43Å; Y132-P136 WeakPolarHBondContact O-CD 3.48Å; Y132-V139 HydrophobicContact CD2-CB 3.97Å; Y132-V139 HydrophobicContact CD2-CG1 3.85Å
133	L	94.1	Very high	92.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-34.9	176.1	-66.2	166.6	0	0	0	112.2	L73 R76 V77 S129 V130 L131 L182 Y186 A225	L73-L133 HydrophobicContact CB-CD2 4.14Å; L73-L133 HydrophobicContact CD2-CD1 4.1Å; L73-L133 HydrophobicContact CD2-CD2 3.95Å; L73-L133 HydrophobicContact CD2-CG 4.32Å; L73-L133 HydrophobicContact CG-CD2 4.49Å; R76-L133 HydrophobicContact CB-CD2 3.99Å; V77-L133 HydrophobicContact CG1-CD2 4.01Å; S129-L133 WeakPolarHBondContact O-CG 3.24Å; S129-L133 PolarHBondContact O-N 3.38Å; S129-L133 VanDerWaalsContact O-N 3.13Å; V130-L133 WeakPolarHBondContact O-CB 3.32Å; V130-L133 PolarHBondContact O-N 3.45Å; V130-L133 VanDerWaalsContact O-N 3.08Å; L131-L133 VanDerWaalsContact C-N 3.34Å; L131-L133 PolarHBondContact O-N 3.38Å; L133-L182 HydrophobicContact CB-CD2 3.41Å; L133-L182 VanDerWaalsContact CB-CD2 3.41Å; L133-L182 HydrophobicContact CD1-CD2 4.45Å; L133-Y186 HydrophobicContact CB-CD2 4.42Å; L133-Y186 HydrophobicContact CD2-CD2 3.81Å; L133-Y186 HydrophobicContact CD2-CE2 4.23Å; L133-Y186 HydrophobicContact CG-CD2 4.48Å; L133-A225 HydrophobicContact CD1-CB 3.58Å
134	S	93.5	Very high	92.5	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-77.9	-34.1	178.6	-61.6	0	0	0	0	113.8	V130 L131 Y132 L182 H185	V130-S134 PolarHBondContact O-N 2.84Å; V130-S134 PolarHBondContact O-OG 2.72Å; L131-S134 PolarHBondContact O-N 3.09Å; Y132-S134 VanDerWaalsContact C-N 3.31Å; Y132-S134 PolarHBondContact O-N 3.36Å; S134-L182 WeakPolarHBondContact OG-CD2 3.15Å; S134-H185 PolarHBondContact O-ND1 2.98Å
135	S	92.4	Very high	92.5	Very high	36 Å²	36	24.1 Å²	24.1	25%	0.252	15%	0.15	S	C	.	.			trans	-153.5	74.9	-172.8	-69.3	0	0	0	0	111.5	L131 D137 L138 V139	L131-S135 PolarHBondContact O-N 3.48Å; S135-D137 PolarHBondContact O-N 2.97Å; S135-L138 PolarHBondContact O-N 3.36Å; S135-V139 PolarHBondContact O-N 2.89Å
136	P	92	Very high	92.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-38.1	-174.1	25.1	-35.6	0	0	0	113	V77 C79 C84 Y132 L138 V139 C140 H185	V77-P136 HydrophobicContact CB-CB 4.38Å; V77-P136 HydrophobicContact CB-CG 4.22Å; V77-P136 HydrophobicContact CG1-CB 4.47Å; V77-P136 HydrophobicContact CG1-CG 4.48Å; V77-P136 HydrophobicContact CG2-CB 4.34Å; C79-P136 VanDerWaalsContact SG-CG 3.55Å; C84-P136 HydrophobicContact CB-CB 4.42Å; C84-P136 HydrophobicContact CB-CG 4.38Å; Y132-P136 HydrophobicContact CD2-CB 4.21Å; Y132-P136 HydrophobicContact CE2-CB 3.8Å; Y132-P136 WeakPolarHBondContact O-CA 3.43Å; Y132-P136 WeakPolarHBondContact O-CD 3.48Å; P136-L138 PolarHBondContact O-N 3.02Å; P136-V139 PolarHBondContact O-N 2.97Å; P136-C140 WeakPolarHBondContact O-CB 3.25Å; P136-C140 PolarHBondContact O-N 3.35Å; P136-C140 PolarHBondContact O-SG 3Å; P136-H185 HydrophobicContact CG-CB 4.19Å
137	D	89.6	Confident	92.3	Very high	76 Å²	76	30.7 Å²	30.7	41%	0.406	19%	0.193	S	C	.	.	H	α-helix	trans	-66.3	-38.5	-179.1	-67	-41.6	0	0	0	112.7	C79 S135 T141	C79-D137 PolarHBondContact SG-OD2 3.21Å; S135-D137 PolarHBondContact O-N 2.97Å; D137-T141 WeakPolarHBondContact O-CB 3.39Å; D137-T141 PolarHBondContact O-N 3.1Å; D137-T141 PolarHBondContact O-OG1 3.26Å
138	L	91.2	Very high	92.3	Very high	76 Å²	76	30.7 Å²	30.7	40%	0.398	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-48.9	174.8	176.9	64.4	0	0	0	110	L131 S135 P136 T141 A142	L131-L138 HydrophobicContact CD1-CD2 4.43Å; S135-L138 PolarHBondContact O-N 3.36Å; P136-L138 PolarHBondContact O-N 3.02Å; L138-T141 PolarHBondContact O-N 2.75Å; L138-A142 VanDerWaalsContact O-CB 3.32Å; L138-A142 WeakPolarHBondContact O-CB 3.37Å; L138-A142 PolarHBondContact O-N 2.83Å
139	V	92.1	Very high	92.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-45.3	-179.6	173.1	0	0	0	0	111.3	L89 L131 Y132 S135 P136 T141 A142 V143 W148	L89-V139 HydrophobicContact CD2-CG1 3.89Å; L131-V139 HydrophobicContact CB-CG2 4.4Å; L131-V139 HydrophobicContact CD2-CG2 3.96Å; L131-V139 HydrophobicContact CG-CG2 3.6Å; Y132-V139 HydrophobicContact CD2-CB 3.97Å; Y132-V139 HydrophobicContact CD2-CG1 3.85Å; S135-V139 PolarHBondContact O-N 2.89Å; P136-V139 PolarHBondContact O-N 2.97Å; V139-T141 VanDerWaalsContact C-N 3.3Å; V139-T141 PolarHBondContact O-N 2.87Å; V139-A142 PolarHBondContact O-N 3.3Å; V139-A142 VanDerWaalsContact O-N 3.13Å; V139-V143 HydrophobicContact CG1-CG2 4.01Å; V139-V143 WeakPolarHBondContact O-CB 3.24Å; V139-V143 VanDerWaalsContact O-CG2 3.25Å; V139-V143 WeakPolarHBondContact O-CG2 3.3Å; V139-V143 PolarHBondContact O-N 3.46Å; V139-W148 HydrophobicContact CG1-CD2 4.44Å; V139-W148 HydrophobicContact CG1-CG 4.42Å; V139-W148 HydrophobicContact CG1-CZ2 4.36Å
140	C	90.9	Very high	91.9	Very high	21 Å²	21	37.5 Å²	37.5	14%	0.142	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-36	179.9	-73.7	0	0	0	0	112.8	G85 C87 P136 G144	G85-C140 PolarHBondContact O-SG 2.94Å; C87-C140 HydrophobicContact CB-CB 3.54Å; C87-C140 WeakPolarHBondContact CB-SG 3.39Å; C87-C140 WeakPolarHBondContact SG-CA 3.34Å; C87-C140 WeakPolarHBondContact SG-CB 3.41Å; C87-C140 CovalentContact SG-SG 2.05Å; C87-C140 PolarHBondContact SG-SG 2.71Å; P136-C140 WeakPolarHBondContact O-CB 3.25Å; P136-C140 PolarHBondContact O-N 3.35Å; P136-C140 PolarHBondContact O-SG 3Å; C140-G144 PolarHBondContact O-N 3.47Å
141	T	90.8	Very high	91.8	Very high	81 Å²	81	38.6 Å²	38.6	50%	0.497	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-44.8	171.5	-57.3	0	0	0	0	111.2	D137 L138 V139 G144 Q145	D137-T141 WeakPolarHBondContact O-CB 3.39Å; D137-T141 PolarHBondContact O-N 3.1Å; D137-T141 PolarHBondContact O-OG1 3.26Å; L138-T141 PolarHBondContact O-N 2.75Å; V139-T141 VanDerWaalsContact C-N 3.3Å; V139-T141 PolarHBondContact O-N 2.87Å; T141-G144 PolarHBondContact O-N 3.48Å; T141-Q145 WeakPolarHBondContact O-CG 3.27Å; T141-Q145 PolarHBondContact O-N 3.01Å
142	A	90.9	Very high	91.7	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-41.4	-180	0	0	0	0	0	112.4	L138 V139 G144 Q145 G146 K147 E151	L138-A142 VanDerWaalsContact O-CB 3.32Å; L138-A142 WeakPolarHBondContact O-CB 3.37Å; L138-A142 PolarHBondContact O-N 2.83Å; V139-A142 PolarHBondContact O-N 3.3Å; V139-A142 VanDerWaalsContact O-N 3.13Å; A142-G144 VanDerWaalsContact C-N 3.35Å; A142-G144 PolarHBondContact O-N 3.2Å; A142-Q145 CarbonylContact O-C 3.03Å; A142-Q145 WeakPolarHBondContact O-CA 3.43Å; A142-Q145 PolarHBondContact O-N 2.85Å; A142-G146 PolarHBondContact O-N 3.13Å; A142-K147 HydrophobicContact CB-CB 4.43Å; A142-K147 PolarHBondContact O-N 3.44Å; A142-E151 HydrophobicContact CB-CB 4.33Å; A142-E151 HydrophobicContact CB-CG 3.65Å
143	V	90.4	Very high	91.5	Very high	12 Å²	12	42.9 Å²	42.9	7%	0.073	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-45.7	176	164.4	0	0	0	0	110.7	L89 S92 Q95 V139 Q145 G146 W148	L89-V143 HydrophobicContact CD2-CG2 4.13Å; S92-V143 WeakPolarHBondContact OG-CG1 3.45Å; Q95-V143 PolarHBondContact NE2-O 3.03Å; V139-V143 HydrophobicContact CG1-CG2 4.01Å; V139-V143 WeakPolarHBondContact O-CB 3.24Å; V139-V143 VanDerWaalsContact O-CG2 3.25Å; V139-V143 WeakPolarHBondContact O-CG2 3.3Å; V139-V143 PolarHBondContact O-N 3.46Å; V143-Q145 PolarHBondContact O-N 3.07Å; V143-G146 PolarHBondContact O-N 2.92Å; V143-G146 VanDerWaalsContact O-N 3.13Å; V143-W148 HydrophobicContact CG2-CB 3.94Å; V143-W148 HydrophobicContact CG2-CD2 3.75Å; V143-W148 HydrophobicContact CG2-CE3 3.81Å; V143-W148 HydrophobicContact CG2-CG 3.84Å
144	G	87.3	Confident	91.4	Very high	74 Å²	74	48.9 Å²	48.9	76%	0.763	28%	0.283	S	S	*	.	H	α-helix	trans	-62.9	-22.5	175.3	0	0	0	0	0	114	C140 T141 A142	C140-G144 PolarHBondContact O-N 3.47Å; T141-G144 PolarHBondContact O-N 3.48Å; A142-G144 VanDerWaalsContact C-N 3.35Å; A142-G144 PolarHBondContact O-N 3.2Å
145	Q	91.3	Very high	91.3	Very high	121 Å²	121	49.5 Å²	49.5	57%	0.565	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.8	177.3	-65.9	179.3	14.3	0	0	113.8	T141 A142 V143 K147	T141-Q145 WeakPolarHBondContact O-CG 3.27Å; T141-Q145 PolarHBondContact O-N 3.01Å; A142-Q145 CarbonylContact O-C 3.03Å; A142-Q145 WeakPolarHBondContact O-CA 3.43Å; A142-Q145 PolarHBondContact O-N 2.85Å; V143-Q145 PolarHBondContact O-N 3.07Å; Q145-K147 VanDerWaalsContact C-N 3.34Å; Q145-K147 HydrophobicContact CB-CD 4.34Å; Q145-K147 HydrophobicContact CB-CG 4.22Å
146	G	89.7	Confident	91.3	Very high	50 Å²	50	48.9 Å²	48.9	52%	0.515	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	20.3	-175.5	0	0	0	0	0	114.8	A142 V143	A142-G146 PolarHBondContact O-N 3.13Å; V143-G146 PolarHBondContact O-N 2.92Å; V143-G146 VanDerWaalsContact O-N 3.13Å
147	K	93.1	Very high	91.1	Very high	89 Å²	89	54.2 Å²	54.2	39%	0.387	30%	0.304	S	S	.	.			trans	-112.8	17.3	-170.9	-66.6	-173.8	176.1	-174.5	0	114.3	A142 Q145 A149 E150 E151	A142-K147 HydrophobicContact CB-CB 4.43Å; A142-K147 PolarHBondContact O-N 3.44Å; Q145-K147 VanDerWaalsContact C-N 3.34Å; Q145-K147 HydrophobicContact CB-CD 4.34Å; Q145-K147 HydrophobicContact CB-CG 4.22Å; K147-A149 VanDerWaalsContact C-N 3.34Å; K147-A149 PolarHBondContact O-N 3.31Å; K147-E150 HydrophobicContact CB-CB 4.45Å; K147-E150 PolarHBondContact O-N 3.36Å; K147-E150 VanDerWaalsContact O-N 3.12Å; K147-E151 PolarHBondContact O-N 3.17Å; K147-E151 VanDerWaalsContact O-N 3.09Å
148	W	93.1	Very high	91.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-41.6	-174.3	-171.5	11.8	0	0	0	113.3	F70 L89 Q95 L96 V139 V143 E150 E151 T152	F70-W148 AromaticContact CE1-CH2 3.9Å; F70-W148 HydrophobicContact CE1-CH2 3.9Å; F70-W148 HydrophobicContact CE1-CZ2 4.4Å; F70-W148 AromaticContact CZ-CH2 3.74Å; F70-W148 HydrophobicContact CZ-CH2 3.74Å; L89-W148 HydrophobicContact CB-CH2 4.1Å; L89-W148 HydrophobicContact CD2-CH2 3.88Å; L89-W148 HydrophobicContact CD2-CZ2 3.98Å; L89-W148 HydrophobicContact CD2-CZ3 4.33Å; Q95-W148 HydrophobicContact CB-CB 4.17Å; Q95-W148 VanDerWaalsContact OE1-CB 3.3Å; L96-W148 HydrophobicContact CD1-CD2 3.82Å; L96-W148 HydrophobicContact CD1-CE3 3.96Å; L96-W148 HydrophobicContact CD1-CH2 3.65Å; L96-W148 HydrophobicContact CD1-CZ2 3.48Å; L96-W148 VanDerWaalsContact CD1-CZ2 3.48Å; L96-W148 HydrophobicContact CD1-CZ3 3.88Å; L96-W148 HydrophobicContact CD2-CD2 3.98Å; L96-W148 HydrophobicContact CD2-CG 3.93Å; L96-W148 HydrophobicContact CG-CD2 3.71Å; L96-W148 HydrophobicContact CG-CE3 3.83Å; L96-W148 HydrophobicContact CG-CG 4.17Å; L96-W148 HydrophobicContact CG-CH2 4.43Å; L96-W148 HydrophobicContact CG-CZ2 4.32Å; L96-W148 HydrophobicContact CG-CZ3 4.2Å; V139-W148 HydrophobicContact CG1-CD2 4.44Å; V139-W148 HydrophobicContact CG1-CG 4.42Å; V139-W148 HydrophobicContact CG1-CZ2 4.36Å; V143-W148 HydrophobicContact CG2-CB 3.94Å; V143-W148 HydrophobicContact CG2-CD2 3.75Å; V143-W148 HydrophobicContact CG2-CE3 3.81Å; V143-W148 HydrophobicContact CG2-CG 3.84Å; W148-E150 PolarHBondContact O-N 3.05Å; W148-E151 PolarHBondContact O-N 3.21Å; W148-T152 WeakPolarHBondContact O-CB 3.34Å; W148-T152 PolarHBondContact O-N 3.43Å; W148-T152 PolarHBondContact O-OG1 3.47Å
149	A	91	Very high	90.9	Very high	40 Å²	40	52.8 Å²	52.8	33%	0.331	29%	0.291	S	S	.	.	H	α-helix	trans	-65.8	-35.8	175.4	0	0	0	0	0	113.6	Q95 L96 K147 T152 D153	Q95-A149 WeakPolarHBondContact O-CB 3.4Å; L96-A149 HydrophobicContact CD2-CB 4.35Å; K147-A149 VanDerWaalsContact C-N 3.34Å; K147-A149 PolarHBondContact O-N 3.31Å; A149-T152 PolarHBondContact O-N 3.47Å; A149-D153 PolarHBondContact O-N 3.03Å
150	E	91.7	Very high	90.5	Very high	102 Å²	102	53 Å²	53	48%	0.477	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-42.6	178	-170.9	-173.8	162.7	0	0	111.3	K147 W148 T152 D153 R154	K147-E150 HydrophobicContact CB-CB 4.45Å; K147-E150 PolarHBondContact O-N 3.36Å; K147-E150 VanDerWaalsContact O-N 3.12Å; W148-E150 PolarHBondContact O-N 3.05Å; E150-T152 VanDerWaalsContact C-N 3.33Å; E150-D153 PolarHBondContact O-N 3.06Å; E150-R154 PolarHBondContact O-N 3.06Å; E150-R154 IonicContact OE1-NH2 3.96Å
151	E	93.3	Very high	89.3	Confident	23 Å²	23	59.6 Å²	59.6	11%	0.107	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-33.4	175.3	-66.7	-57.1	147.5	0	0	112.1	L131 A142 K147 W148 R154 F155	L131-E151 HydrophobicContact CD2-CB 4.11Å; A142-E151 HydrophobicContact CB-CB 4.33Å; A142-E151 HydrophobicContact CB-CG 3.65Å; K147-E151 PolarHBondContact O-N 3.17Å; K147-E151 VanDerWaalsContact O-N 3.09Å; W148-E151 PolarHBondContact O-N 3.21Å; E151-R154 PolarHBondContact O-N 3.5Å; E151-R154 IonicContact OE1-CZ 3.25Å; E151-R154 IonicContact OE1-NH1 3.97Å; E151-R154 PolarHBondContact OE1-NH1 3.22Å; E151-R154 IonicContact OE1-NH2 2.72Å; E151-R154 PolarHBondContact OE1-NH2 3.09Å; E151-R154 IonicContact OE2-CZ 2.83Å; E151-R154 VanDerWaalsContact OE2-CZ 3.29Å; E151-R154 IonicContact OE2-NE 2.78Å; E151-R154 IonicContact OE2-NH1 2.76Å; E151-R154 PolarHBondContact OE2-NH1 2.86Å; E151-R154 IonicContact OE2-NH2 3.1Å; E151-F155 WeakPolarHBondContact O-CB 3.31Å; E151-F155 PolarHBondContact O-N 3.42Å
152	T	92.8	Very high	87.4	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-66.2	-41.9	174.8	-58.9	0	0	0	0	111.2	L96 A127 W148 A149 E150 F155 L156	L96-T152 HydrophobicContact CD2-CG2 4.34Å; L96-T152 WeakPolarHBondContact CD2-OG1 3.48Å; A127-T152 HydrophobicContact CB-CG2 3.63Å; W148-T152 WeakPolarHBondContact O-CB 3.34Å; W148-T152 PolarHBondContact O-N 3.43Å; W148-T152 PolarHBondContact O-OG1 3.47Å; A149-T152 PolarHBondContact O-N 3.47Å; E150-T152 VanDerWaalsContact C-N 3.33Å; T152-F155 WeakPolarHBondContact O-CB 3.33Å; T152-F155 PolarHBondContact O-N 3.23Å; T152-L156 WeakPolarHBondContact O-CG 3.31Å; T152-L156 PolarHBondContact O-N 2.82Å
153	D	91	Very high	85.1	Confident	90 Å²	90	65.2 Å²	65.2	48%	0.481	35%	0.351	S	S	.	.	H	α-helix	trans	-63.7	-41	174.7	-169.2	63.4	0	0	0	111.5	A149 E150 F155 L156 H157 H167	A149-D153 PolarHBondContact O-N 3.03Å; E150-D153 PolarHBondContact O-N 3.06Å; D153-F155 VanDerWaalsContact C-N 3.35Å; D153-F155 PolarHBondContact O-N 3.09Å; D153-L156 PolarHBondContact O-N 3.37Å; D153-H157 WeakPolarHBondContact O-CB 3.39Å; D153-H157 PolarHBondContact O-N 2.83Å; D153-H167 IonicContact OD1-CD2 3.57Å
154	R	90.9	Very high	83.1	Confident	126 Å²	126	72.5 Å²	72.5	48%	0.475	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-40.5	174.8	-164.9	-178.4	-54.6	146.7	14.5	112.5	E150 E151 H157 K158	E150-R154 PolarHBondContact O-N 3.06Å; E150-R154 IonicContact OE1-NH2 3.96Å; E151-R154 PolarHBondContact O-N 3.5Å; E151-R154 IonicContact OE1-CZ 3.25Å; E151-R154 IonicContact OE1-NH1 3.97Å; E151-R154 PolarHBondContact OE1-NH1 3.22Å; E151-R154 IonicContact OE1-NH2 2.72Å; E151-R154 PolarHBondContact OE1-NH2 3.09Å; E151-R154 IonicContact OE2-CZ 2.83Å; E151-R154 VanDerWaalsContact OE2-CZ 3.29Å; E151-R154 IonicContact OE2-NE 2.78Å; E151-R154 IonicContact OE2-NH1 2.76Å; E151-R154 PolarHBondContact OE2-NH1 2.86Å; E151-R154 IonicContact OE2-NH2 3.1Å; R154-H157 PolarHBondContact O-N 2.96Å; R154-K158 PolarHBondContact O-N 3.39Å
155	F	92.6	Very high	81.2	Confident	12 Å²	12	80.9 Å²	80.9	5%	0.053	39%	0.393	C	S	.	.	H	α-helix	trans	-61.4	-44.6	174	171.2	-103.1	0	0	0	111.7	V130 L131 E151 T152 D153 H157 K158 H159 V178 L218	V130-F155 HydrophobicContact CG1-CE1 4.31Å; V130-F155 HydrophobicContact CG1-CZ 4.03Å; L131-F155 HydrophobicContact CB-CB 4.49Å; L131-F155 HydrophobicContact CB-CD1 4.13Å; L131-F155 HydrophobicContact CB-CE1 4.5Å; L131-F155 HydrophobicContact CB-CG 4.13Å; L131-F155 HydrophobicContact CD1-CB 3.87Å; L131-F155 HydrophobicContact CD1-CD2 3.72Å; L131-F155 HydrophobicContact CD1-CE2 4.42Å; L131-F155 HydrophobicContact CD1-CG 3.84Å; L131-F155 HydrophobicContact CD2-CB 4.08Å; L131-F155 HydrophobicContact CG-CB 4.35Å; L131-F155 HydrophobicContact CG-CG 4.38Å; E151-F155 WeakPolarHBondContact O-CB 3.31Å; E151-F155 PolarHBondContact O-N 3.42Å; T152-F155 WeakPolarHBondContact O-CB 3.33Å; T152-F155 PolarHBondContact O-N 3.23Å; D153-F155 VanDerWaalsContact C-N 3.35Å; D153-F155 PolarHBondContact O-N 3.09Å; F155-H157 VanDerWaalsContact C-N 3.34Å; F155-H157 PolarHBondContact O-N 3.31Å; F155-K158 WeakPolarHBondContact O-CB 3.49Å; F155-K158 PolarHBondContact O-N 3.43Å; F155-H159 AromaticContact CD2-CD2 3.79Å; F155-H159 AromaticContact CE2-CD2 3.48Å; F155-H159 VanDerWaalsContact CE2-CD2 3.48Å; F155-H159 WeakPolarHBondContact CE2-CD2 3.48Å; F155-H159 AromaticContact CE2-NE2 3.57Å; F155-H159 AromaticContact CZ-CD2 3.88Å; F155-H159 PolarHBondContact O-CD2 3.32Å; F155-H159 PolarHBondContact O-N 3.06Å; F155-V178 HydrophobicContact CZ-CG1 4.11Å; F155-V178 HydrophobicContact CZ-CG2 3.91Å; F155-L218 HydrophobicContact CE1-CD1 4.35Å
156	L	91.6	Very high	79.5	Confident	24 Å²	24	77.9 Å²	77.9	13%	0.126	39%	0.385	C	S	.	.	H	α-helix	trans	-63.8	-40.2	175	-69.1	-180	0	0	0	112	A127 T152 D153 K158 H159 T160 H167 V214 L218	A127-L156 HydrophobicContact CB-CD1 4.05Å; A127-L156 HydrophobicContact CB-CD2 3.83Å; A127-L156 HydrophobicContact CB-CG 4.11Å; T152-L156 WeakPolarHBondContact O-CG 3.31Å; T152-L156 PolarHBondContact O-N 2.82Å; D153-L156 PolarHBondContact O-N 3.37Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 2.77Å; L156-H159 PolarHBondContact O-N 2.81Å; L156-T160 WeakPolarHBondContact O-CB 3.22Å; L156-T160 VanDerWaalsContact O-CG2 3.3Å; L156-T160 WeakPolarHBondContact O-CG2 3.43Å; L156-T160 PolarHBondContact O-N 2.94Å; L156-T160 PolarHBondContact O-OG1 3.34Å; L156-H167 HydrophobicContact CB-CB 4.1Å; L156-V214 HydrophobicContact CD2-CG1 3.52Å; L156-L218 HydrophobicContact CD2-CD1 3.66Å
157	H	88.6	Confident	78.4	Confident	111 Å²	111	78 Å²	78	51%	0.514	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-39.1	176.3	-173.5	-67.6	0	0	0	112.4	D153 R154 F155 H159 H167	D153-H157 WeakPolarHBondContact O-CB 3.39Å; D153-H157 PolarHBondContact O-N 2.83Å; R154-H157 PolarHBondContact O-N 2.96Å; F155-H157 VanDerWaalsContact C-N 3.34Å; F155-H157 PolarHBondContact O-N 3.31Å; H157-H159 VanDerWaalsContact C-N 3.31Å; H157-H159 PolarHBondContact O-N 2.9Å; H157-H167 WeakPolarHBondContact CA-CE1 3.33Å; H157-H167 VanDerWaalsContact CB-CE1 3.48Å; H157-H167 WeakPolarHBondContact CB-CE1 3.47Å; H157-H167 AromaticContact CD2-CE1 3.32Å; H157-H167 PolarHBondContact CD2-CE1 2.81Å; H157-H167 AromaticContact CD2-NE2 3.57Å; H157-H167 AromaticContact CG-CE1 3.62Å
158	K	88.4	Confident	77.6	Confident	107 Å²	107	76.9 Å²	76.9	47%	0.465	37%	0.373	S	S	.	.	H	α-helix	trans	-58.8	-41.8	177.2	-176.9	-174.5	170	-164.1	0	111.8	R154 F155 L156 D181	R154-K158 PolarHBondContact O-N 3.39Å; F155-K158 WeakPolarHBondContact O-CB 3.49Å; F155-K158 PolarHBondContact O-N 3.43Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 2.77Å; K158-D181 IonicContact NZ-OD1 2.7Å; K158-D181 PolarHBondContact NZ-OD1 2.95Å; K158-D181 IonicContact NZ-OD2 3.89Å; K158-D181 PolarHBondContact NZ-OD2 2.93Å
159	H	88.2	Confident	77.3	Confident	15 Å²	15	80.6 Å²	80.6	7%	0.069	39%	0.39	C	S	.	.	H	α-helix	trans	-102.5	-12.5	-168.5	-67.4	-58.3	0	0	0	115.6	F155 L156 H157 I170 G174 G177 V178 D181	F155-H159 AromaticContact CD2-CD2 3.79Å; F155-H159 AromaticContact CE2-CD2 3.48Å; F155-H159 VanDerWaalsContact CE2-CD2 3.48Å; F155-H159 WeakPolarHBondContact CE2-CD2 3.48Å; F155-H159 AromaticContact CE2-NE2 3.57Å; F155-H159 AromaticContact CZ-CD2 3.88Å; F155-H159 PolarHBondContact O-CD2 3.32Å; F155-H159 PolarHBondContact O-N 3.06Å; L156-H159 PolarHBondContact O-N 2.81Å; H157-H159 VanDerWaalsContact C-N 3.31Å; H157-H159 PolarHBondContact O-N 2.9Å; H159-I170 HydrophobicContact CB-CD1 4.34Å; H159-G174 WeakPolarHBondContact O-CA 3.34Å; H159-G177 PolarHBondContact CE1-O 3.45Å; H159-G177 VanDerWaalsContact CE1-O 3.3Å; H159-V178 HydrophobicContact CB-CG2 3.88Å; H159-D181 IonicContact CD2-OD2 3.58Å; H159-D181 IonicContact CE1-OD2 3.72Å; H159-D181 PolarHBondContact CE1-OD2 2.86Å; H159-D181 VanDerWaalsContact CE1-OD2 3.25Å; H159-D181 IonicContact NE2-OD2 3.69Å; H159-D181 PolarHBondContact NE2-OD2 3.12Å
160	T	83.9	Confident	77.2	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.031	38%	0.375	C	S	.	.	H	α-helix	trans	-94.3	-11.1	-177.8	54.5	0	0	0	0	114.5	L156 S162 H167 H169 I170 V214	L156-T160 WeakPolarHBondContact O-CB 3.22Å; L156-T160 VanDerWaalsContact O-CG2 3.3Å; L156-T160 WeakPolarHBondContact O-CG2 3.43Å; L156-T160 PolarHBondContact O-N 2.94Å; L156-T160 PolarHBondContact O-OG1 3.34Å; T160-S162 PolarHBondContact O-N 2.85Å; T160-H167 PolarHBondContact OG1-ND1 3.28Å; T160-H169 WeakPolarHBondContact CG2-O 3.4Å; T160-I170 HydrophobicContact CG2-CB 4.3Å; T160-V214 HydrophobicContact CG2-CG2 3.76Å
161	H	64.1	Low	77	Confident	159 Å²	159	74.6 Å²	74.6	74%	0.736	36%	0.36	S	S	*	.			trans	23.3	60.4	-179.8	-79.7	-57.2	0	0	0	113.2
162	S	52.7	Low	76.6	Confident	54 Å²	54	76.3 Å²	76.3	38%	0.378	37%	0.369	S	S	.	.			trans	-113.5	128.9	177.6	-172.4	0	0	0	0	109	T160 H164	T160-S162 PolarHBondContact O-N 2.85Å; S162-H164 PolarHBondContact O-N 3.32Å
163	D	41.3	Very low	76.2	Confident	149 Å²	149	82.2 Å²	82.2	80%	0.797	41%	0.405	S	S	*	.	S	Bend	trans	-50.9	115.6	168	-82.8	-38.1	0	0	0	109.3	R165	D163-R165 PolarHBondContact O-N 2.73Å
164	H	48.2	Very low	76	Confident	166 Å²	166	78.5 Å²	78.5	77%	0.769	39%	0.388	S	S	*	.	S	Bend	trans	22.9	89.4	161.4	-57.5	-60.7	0	0	0	116.6	S162	S162-H164 PolarHBondContact O-N 3.32Å
165	R	47.4	Very low	76.1	Confident	249 Å²	249	72.5 Å²	72.5	94%	0.94	37%	0.365	S	S	*	.	S	Bend	trans	151	1.9	131.9	-79.7	169.9	-167.2	-143.2	3.7	116.5	D163	D163-R165 PolarHBondContact O-N 2.73Å
166	S	55.7	Low	75.9	Confident	58 Å²	58	72.2 Å²	72.2	41%	0.406	37%	0.366	S	S	.	.			trans	-155.1	105.9	178	-164	0	0	0	0	113	T168	S166-T168 PolarHBondContact O-N 3.12Å; S166-T168 WeakPolarHBondContact OG-CB 3.49Å; S166-T168 WeakPolarHBondContact OG-CG2 3.4Å; S166-T168 PolarHBondContact OG-OG1 3.48Å
167	H	67.8	Low	75.8	Confident	52 Å²	52	71.9 Å²	71.9	24%	0.241	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	41.7	170.4	-60.5	-54.3	0	0	0	111.9	D153 L156 H157 T160 V214	D153-H167 IonicContact OD1-CD2 3.57Å; L156-H167 HydrophobicContact CB-CB 4.1Å; H157-H167 WeakPolarHBondContact CA-CE1 3.33Å; H157-H167 VanDerWaalsContact CB-CE1 3.48Å; H157-H167 WeakPolarHBondContact CB-CE1 3.47Å; H157-H167 AromaticContact CD2-CE1 3.32Å; H157-H167 PolarHBondContact CD2-CE1 2.81Å; H157-H167 AromaticContact CD2-NE2 3.57Å; H157-H167 AromaticContact CG-CE1 3.62Å; T160-H167 PolarHBondContact OG1-ND1 3.28Å; H167-V214 WeakPolarHBondContact O-CG2 3.26Å
168	T	76.3	Confident	76	Confident	67 Å²	67	66.7 Å²	66.7	41%	0.411	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-22.3	-172.4	44.1	0	0	0	0	113.1	S166 E213 V214	S166-T168 PolarHBondContact O-N 3.12Å; S166-T168 WeakPolarHBondContact OG-CB 3.49Å; S166-T168 WeakPolarHBondContact OG-CG2 3.4Å; S166-T168 PolarHBondContact OG-OG1 3.48Å; T168-E213 CarbonylContact O-C 3.38Å; T168-E213 VanDerWaalsContact O-CA 3.31Å; T168-E213 WeakPolarHBondContact O-CA 3.35Å; T168-V214 PolarHBondContact O-N 3.28Å
169	H	87	Confident	76.2	Confident	77 Å²	77	61.6 Å²	61.6	36%	0.356	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.2	-176.4	-57.7	72.4	0	0	0	113.5	T160 K211 Q212	T160-H169 WeakPolarHBondContact CG2-O 3.4Å; H169-K211 HydrophobicContact CB-CB 3.78Å; H169-K211 PolarHBondContact CD2-O 3.04Å; H169-Q212 CarbonylContact C-O 3.45Å; H169-Q212 WeakPolarHBondContact CA-O 3.32Å; H169-Q212 WeakPolarHBondContact CB-O 3.46Å
170	I	88	Confident	76.3	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.5	176.9	-169.5	167.7	0	0	0	109.4	H159 T160 V178 K211 Q212 V214 V217	H159-I170 HydrophobicContact CB-CD1 4.34Å; T160-I170 HydrophobicContact CG2-CB 4.3Å; I170-V178 HydrophobicContact CD1-CG2 4.12Å; I170-K211 CarbonylContact O-C 3.57Å; I170-K211 WeakPolarHBondContact O-CA 3.45Å; I170-Q212 PolarHBondContact N-O 3.39Å; I170-Q212 PolarHBondContact O-N 2.83Å; I170-V214 HydrophobicContact CB-CG2 3.96Å; I170-V214 HydrophobicContact CG2-CG2 4.14Å; I170-V217 HydrophobicContact CG2-CB 3.63Å; I170-V217 HydrophobicContact CG2-CG1 3.79Å; I170-V217 HydrophobicContact CG2-CG2 3.68Å
171	G	86.6	Confident	76.6	Confident	15 Å²	15	67.1 Å²	67.1	16%	0.155	35%	0.348	C	S	.	.			trans	-99.6	174.1	173.9	0	0	0	0	0	111.6	V173 G174 L175	G171-V173 VanDerWaalsContact C-N 3.27Å; G171-V173 PolarHBondContact O-N 2.88Å; G171-G174 PolarHBondContact O-N 3.47Å; G171-L175 PolarHBondContact O-N 3.1Å
172	I	85.8	Confident	78	Confident	58 Å²	58	59.6 Å²	59.6	30%	0.297	31%	0.313	S	S	.	.	H	α-helix	trans	-53.8	-39.8	-179.7	-168.7	167.1	0	0	0	113.4	L175 G176 A196 M200	I172-L175 PolarHBondContact O-N 3.31Å; I172-G176 PolarHBondContact O-N 3.17Å; I172-A196 HydrophobicContact CG1-CB 4.12Å; I172-M200 HydrophobicContact CB-CG 4.34Å; I172-M200 HydrophobicContact CG1-CG 4.41Å
173	V	84.3	Confident	79.7	Confident	130 Å²	130	62.2 Å²	62.2	79%	0.788	32%	0.32	S	S	*	.	H	α-helix	trans	-65.1	-43.2	177.3	-180	0	0	0	0	111.5	G171 L175 G176 G177	G171-V173 VanDerWaalsContact C-N 3.27Å; G171-V173 PolarHBondContact O-N 2.88Å; V173-L175 VanDerWaalsContact C-N 3.33Å; V173-L175 PolarHBondContact O-N 3.16Å; V173-G176 PolarHBondContact O-N 2.82Å; V173-G177 PolarHBondContact O-N 3.1Å
174	G	87.6	Confident	81.8	Confident	12 Å²	12	60.3 Å²	60.3	12%	0.124	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-39.6	176.1	0	0	0	0	0	111.9	H159 G171 G177 V178	H159-G174 WeakPolarHBondContact O-CA 3.34Å; G171-G174 PolarHBondContact O-N 3.47Å; G174-G177 PolarHBondContact O-N 3.1Å; G174-V178 WeakPolarHBondContact O-CG2 3.23Å; G174-V178 PolarHBondContact O-N 3.01Å; G174-V178 VanDerWaalsContact O-N 3.08Å
175	L	91.2	Very high	83.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.9	-37.7	174.3	-179.8	58.8	0	0	0	112.2	G171 I172 V173 G177 V178 I179 A196 I199 M200 V217 V221	G171-L175 PolarHBondContact O-N 3.1Å; I172-L175 PolarHBondContact O-N 3.31Å; V173-L175 VanDerWaalsContact C-N 3.33Å; V173-L175 PolarHBondContact O-N 3.16Å; L175-G177 VanDerWaalsContact C-N 3.33Å; L175-G177 PolarHBondContact O-N 3.47Å; L175-V178 HydrophobicContact CD1-CB 4.46Å; L175-V178 WeakPolarHBondContact O-CB 3.18Å; L175-V178 PolarHBondContact O-N 3.05Å; L175-V178 VanDerWaalsContact O-N 3.15Å; L175-I179 HydrophobicContact CG-CD1 4.35Å; L175-I179 WeakPolarHBondContact O-CG1 3.22Å; L175-I179 PolarHBondContact O-N 2.7Å; L175-A196 HydrophobicContact CB-CB 4.43Å; L175-A196 HydrophobicContact CD2-CB 3.98Å; L175-A196 HydrophobicContact CG-CB 4Å; L175-I199 HydrophobicContact CD2-CB 4.02Å; L175-I199 HydrophobicContact CD2-CG2 3.95Å; L175-M200 HydrophobicContact CD2-CG 3.95Å; L175-M200 HydrophobicContact CD2-SD 3.96Å; L175-V217 HydrophobicContact CB-CG1 4.49Å; L175-V217 HydrophobicContact CD1-CG1 3.75Å; L175-V217 HydrophobicContact CD2-CG1 3.76Å; L175-V217 HydrophobicContact CG-CG1 4.21Å; L175-V221 HydrophobicContact CD1-CG2 3.72Å
176	G	88.6	Confident	85.9	Confident	7 Å²	7	43.9 Å²	43.9	7%	0.072	24%	0.243	C	C	.	.	H	α-helix	trans	-56	-47.1	171.2	0	0	0	0	0	111.6	I172 V173 V178 I179 Q180	I172-G176 PolarHBondContact O-N 3.17Å; V173-G176 PolarHBondContact O-N 2.82Å; G176-V178 VanDerWaalsContact C-N 3.33Å; G176-V178 PolarHBondContact O-N 3.27Å; G176-I179 PolarHBondContact O-N 3.33Å; G176-I179 VanDerWaalsContact O-N 3.14Å; G176-Q180 PolarHBondContact O-N 3.45Å
177	G	89.3	Confident	87.6	Confident	17 Å²	17	45.5 Å²	45.5	18%	0.175	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-37.4	173.6	0	0	0	0	0	114	H159 V173 G174 L175 D181	H159-G177 PolarHBondContact CE1-O 3.45Å; H159-G177 VanDerWaalsContact CE1-O 3.3Å; V173-G177 PolarHBondContact O-N 3.1Å; G174-G177 PolarHBondContact O-N 3.1Å; L175-G177 VanDerWaalsContact C-N 3.33Å; L175-G177 PolarHBondContact O-N 3.47Å; G177-D181 PolarHBondContact O-N 2.91Å
178	V	92.8	Very high	88.6	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-43.5	173.5	170.5	0	0	0	0	111.4	V130 F155 H159 I170 G174 L175 G176 Q180 D181 L182 L218	V130-V178 HydrophobicContact CG1-CG1 3.67Å; F155-V178 HydrophobicContact CZ-CG1 4.11Å; F155-V178 HydrophobicContact CZ-CG2 3.91Å; H159-V178 HydrophobicContact CB-CG2 3.88Å; I170-V178 HydrophobicContact CD1-CG2 4.12Å; G174-V178 WeakPolarHBondContact O-CG2 3.23Å; G174-V178 PolarHBondContact O-N 3.01Å; G174-V178 VanDerWaalsContact O-N 3.08Å; L175-V178 HydrophobicContact CD1-CB 4.46Å; L175-V178 WeakPolarHBondContact O-CB 3.18Å; L175-V178 PolarHBondContact O-N 3.05Å; L175-V178 VanDerWaalsContact O-N 3.15Å; G176-V178 VanDerWaalsContact C-N 3.33Å; G176-V178 PolarHBondContact O-N 3.27Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; V178-D181 PolarHBondContact O-N 3.48Å; V178-L182 HydrophobicContact CG1-CD1 4.36Å; V178-L182 WeakPolarHBondContact O-CG 3.28Å; V178-L182 PolarHBondContact O-N 3.42Å; V178-L218 HydrophobicContact CG1-CD2 4.11Å; V178-L218 HydrophobicContact CG2-CD2 4.36Å
179	I	92.9	Very high	89.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-41.7	177	-73.5	175.7	0	0	0	110.8	L175 G176 D181 L182 Q183 A196 F231 D233	L175-I179 HydrophobicContact CG-CD1 4.35Å; L175-I179 WeakPolarHBondContact O-CG1 3.22Å; L175-I179 PolarHBondContact O-N 2.7Å; G176-I179 PolarHBondContact O-N 3.33Å; G176-I179 VanDerWaalsContact O-N 3.14Å; I179-D181 PolarHBondContact O-N 3.18Å; I179-L182 WeakPolarHBondContact O-CB 3.37Å; I179-L182 PolarHBondContact O-N 3.35Å; I179-Q183 PolarHBondContact O-N 3.44Å; I179-A196 HydrophobicContact CD1-CB 3.9Å; I179-F231 HydrophobicContact CB-CB 4.45Å; I179-F231 HydrophobicContact CD1-CD1 4.49Å; I179-F231 HydrophobicContact CG1-CB 4.19Å; I179-F231 HydrophobicContact CG1-CD1 4.33Å; I179-F231 HydrophobicContact CG2-CB 3.71Å; I179-D233 HydrophobicContact CG2-CB 4.22Å
180	Q	90.8	Very high	88.8	Confident	110 Å²	110	46.1 Å²	46.1	51%	0.514	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-43.1	174.7	-169.5	178.9	27	0	0	111.7	G176 V178 L182 Q183	G176-Q180 PolarHBondContact O-N 3.45Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-L182 VanDerWaalsContact C-N 3.28Å; Q180-L182 PolarHBondContact O-N 2.95Å; Q180-Q183 PolarHBondContact O-N 3.48Å
181	D	91.3	Very high	88.3	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.139	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-35.4	175.4	-81.4	-8.1	0	0	0	111.8	K158 H159 G177 V178 I179 N184	K158-D181 IonicContact NZ-OD1 2.7Å; K158-D181 PolarHBondContact NZ-OD1 2.95Å; K158-D181 IonicContact NZ-OD2 3.89Å; K158-D181 PolarHBondContact NZ-OD2 2.93Å; H159-D181 IonicContact CD2-OD2 3.58Å; H159-D181 IonicContact CE1-OD2 3.72Å; H159-D181 PolarHBondContact CE1-OD2 2.86Å; H159-D181 VanDerWaalsContact CE1-OD2 3.25Å; H159-D181 IonicContact NE2-OD2 3.69Å; H159-D181 PolarHBondContact NE2-OD2 3.12Å; G177-D181 PolarHBondContact O-N 2.91Å; V178-D181 PolarHBondContact O-N 3.48Å; I179-D181 PolarHBondContact O-N 3.18Å; D181-N184 PolarHBondContact O-ND2 2.95Å; D181-N184 VanDerWaalsContact O-ND2 3.17Å
182	L	92.1	Very high	88.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-37.6	175.9	-74.2	168.1	0	0	0	112.8	V130 L133 S134 V178 I179 Q180 N184 H185 Y186 V221 F231	V130-L182 HydrophobicContact CG1-CD2 4.41Å; L133-L182 HydrophobicContact CB-CD2 3.41Å; L133-L182 VanDerWaalsContact CB-CD2 3.41Å; L133-L182 HydrophobicContact CD1-CD2 4.45Å; S134-L182 WeakPolarHBondContact OG-CD2 3.15Å; V178-L182 HydrophobicContact CG1-CD1 4.36Å; V178-L182 WeakPolarHBondContact O-CG 3.28Å; V178-L182 PolarHBondContact O-N 3.42Å; I179-L182 WeakPolarHBondContact O-CB 3.37Å; I179-L182 PolarHBondContact O-N 3.35Å; Q180-L182 VanDerWaalsContact C-N 3.28Å; Q180-L182 PolarHBondContact O-N 2.95Å; L182-N184 PolarHBondContact O-N 2.97Å; L182-H185 PolarHBondContact O-N 2.97Å; L182-Y186 WeakPolarHBondContact O-CB 3.05Å; L182-Y186 PolarHBondContact O-N 3.23Å; L182-V221 HydrophobicContact CD1-CG1 3.79Å; L182-F231 HydrophobicContact CD1-CD2 3.91Å; L182-F231 HydrophobicContact CD1-CE2 4.01Å; L182-F231 HydrophobicContact CD1-CG 4.26Å; L182-F231 HydrophobicContact CD1-CZ 4.44Å
183	Q	88.4	Confident	88.5	Confident	109 Å²	109	58 Å²	58	51%	0.509	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.2	-178.3	-71.6	175	-10.2	0	0	114.1	I179 Q180	I179-Q183 PolarHBondContact O-N 3.44Å; Q180-Q183 PolarHBondContact O-N 3.48Å
184	N	86.1	Confident	88.9	Confident	109 Å²	109	52.4 Å²	52.4	58%	0.583	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-36.2	-178.5	-63.8	-52.4	0	0	0	113.8	D181 L182	D181-N184 PolarHBondContact O-ND2 2.95Å; D181-N184 VanDerWaalsContact O-ND2 3.17Å; L182-N184 PolarHBondContact O-N 2.97Å
185	H	89.6	Confident	89.1	Confident	49 Å²	49	53.7 Å²	53.7	23%	0.227	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-17.6	-170.1	-61	96.2	0	0	0	113.9	V77 Q78 S134 P136 L182	V77-H185 CarbonylContact C-O 3.26Å; V77-H185 VanDerWaalsContact CA-O 3.24Å; V77-H185 WeakPolarHBondContact CA-O 3.43Å; Q78-H185 PolarHBondContact N-O 3.5Å; Q78-H185 PolarHBondContact O-CD2 3.01Å; S134-H185 PolarHBondContact O-ND1 2.98Å; P136-H185 HydrophobicContact CG-CB 4.19Å; L182-H185 PolarHBondContact O-N 2.97Å
186	Y	91.7	Very high	89	Confident	21 Å²	21	54.3 Å²	54.3	8%	0.082	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-77.3	128.3	-177.7	174.8	-105.3	0	0	0	112	R76 L133 L182 P188 A225 Y229 F231	R76-Y186 HydrophobicContact CB-CD2 4.08Å; R76-Y186 HydrophobicContact CB-CE2 3.85Å; R76-Y186 HydrophobicContact CG-CE2 4.3Å; R76-Y186 CarbonylContact O-C 3.54Å; R76-Y186 WeakPolarHBondContact O-CA 3.25Å; R76-Y186 WeakPolarHBondContact O-CD2 3.33Å; L133-Y186 HydrophobicContact CB-CD2 4.42Å; L133-Y186 HydrophobicContact CD2-CD2 3.81Å; L133-Y186 HydrophobicContact CD2-CE2 4.23Å; L133-Y186 HydrophobicContact CG-CD2 4.48Å; L182-Y186 WeakPolarHBondContact O-CB 3.05Å; L182-Y186 PolarHBondContact O-N 3.23Å; Y186-P188 HydrophobicContact CE1-CB 4.04Å; Y186-A225 HydrophobicContact CE2-CB 3.93Å; Y186-A225 WeakPolarHBondContact OH-CA 3.28Å; Y186-Y229 WeakPolarHBondContact CE1-O 3.44Å; Y186-Y229 PolarHBondContact OH-O 3.03Å; Y186-F231 AromaticContact CD1-CD2 3.84Å; Y186-F231 HydrophobicContact CD1-CD2 3.84Å; Y186-F231 HydrophobicContact CD1-CE2 4.05Å; Y186-F231 AromaticContact CE1-CD2 3.65Å; Y186-F231 HydrophobicContact CE1-CD2 3.65Å; Y186-F231 AromaticContact CE1-CE2 3.61Å; Y186-F231 HydrophobicContact CE1-CE2 3.61Å; Y186-F231 AromaticContact CZ-CE2 3.87Å
187	E	90.8	Very high	88.9	Confident	92 Å²	92	56.6 Å²	56.6	43%	0.43	31%	0.311	S	S	.	.			trans	-111.8	112.3	178.1	-166.5	179.2	178.7	0	0	111.1	R76	R76-E187 VanDerWaalsContact CD-O 3.23Å; R76-E187 WeakPolarHBondContact CD-O 3.17Å; R76-E187 PolarHBondContact O-N 3.1Å
188	P	90.4	Very high	88.9	Confident	59 Å²	59	58.8 Å²	58.8	38%	0.383	32%	0.324	S	S	.	.			trans	-75.1	151.8	-178.9	30.8	-34.9	0	0	0	112.6	Y186 C230	Y186-P188 HydrophobicContact CE1-CB 4.04Å; P188-C230 HydrophobicContact CB-CB 3.99Å; P188-C230 HydrophobicContact CG-CB 4.07Å
189	S	86.3	Confident	88.8	Confident	85 Å²	85	58.8 Å²	58.8	59%	0.594	32%	0.323	S	S	*	.	S	Bend	trans	-90.7	-32	170	-124.7	0	0	0	0	113.4	R76 G228	R76-S189 PolarHBondContact NH1-OG 3.11Å; R76-S189 PolarHBondContact NH2-OG 3.41Å; S189-G228 PolarHBondContact N-O 3.17Å
190	N	81.3	Confident	88.6	Confident	66 Å²	66	58.8 Å²	58.8	35%	0.353	32%	0.324	S	S	.	.	S	Bend	trans	-108.7	153	-165.9	-166.5	-3.6	0	0	0	108.9	S192 G228	N190-S192 VanDerWaalsContact C-N 3.34Å; N190-S192 PolarHBondContact OD1-N 2.89Å; N190-G228 VanDerWaalsContact CB-O 3.29Å; N190-G228 WeakPolarHBondContact CB-O 3.21Å; N190-G228 PolarHBondContact N-O 2.99Å
191	K	76.3	Confident	88.5	Confident	200 Å²	200	57 Å²	57	87%	0.87	32%	0.32	S	S	*	.	S	Bend	trans	-82.1	-12.5	177.4	-64.1	-173.6	177	-174.8	0	113.2
192	S	87.8	Confident	88.4	Confident	56 Å²	56	59 Å²	59	39%	0.392	33%	0.329	S	S	.	.			trans	-78.8	126.3	178.2	-57.7	0	0	0	0	110.9	N190 Y229 C230	N190-S192 VanDerWaalsContact C-N 3.34Å; N190-S192 PolarHBondContact OD1-N 2.89Å; S192-Y229 VanDerWaalsContact CB-CE1 3.46Å; S192-Y229 WeakPolarHBondContact O-CA 3.28Å; S192-Y229 WeakPolarHBondContact O-CB 3.25Å; S192-Y229 VanDerWaalsContact O-CD1 3.25Å; S192-Y229 WeakPolarHBondContact O-CD1 3.24Å; S192-C230 PolarHBondContact O-N 2.93Å; S192-C230 PolarHBondContact O-SG 3.06Å
193	C	89.8	Confident	88.3	Confident	68 Å²	68	59.8 Å²	59.8	46%	0.459	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	155.2	177.6	-54.3	0	0	0	0	112.2	C230 S232	C193-C230 CarbonylContact C-O 3.56Å; C193-C230 WeakPolarHBondContact CA-O 3.41Å; C193-C230 WeakPolarHBondContact CA-SG 3.26Å; C193-C230 HydrophobicContact CB-CB 3.95Å; C193-C230 WeakPolarHBondContact CB-SG 3.22Å; C193-C230 PolarHBondContact N-SG 3.36Å; C193-C230 VanDerWaalsContact N-SG 3.36Å; C193-C230 WeakPolarHBondContact SG-CB 3.25Å; C193-C230 CovalentContact SG-SG 2.03Å; C193-C230 PolarHBondContact SG-SG 3.21Å; C193-S232 WeakPolarHBondContact CB-OG 3.28Å
194	V	92.1	Very high	88.2	Confident	13 Å²	13	56.1 Å²	56.1	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.1	171.6	-65.5	0	0	0	0	110.2	I199 Y224 Y229 C230 F231 S232	V194-I199 HydrophobicContact CB-CG1 4.49Å; V194-I199 HydrophobicContact CG2-CD1 4.05Å; V194-I199 HydrophobicContact CG2-CG1 4.38Å; V194-Y224 HydrophobicContact CG1-CD1 3.93Å; V194-Y224 HydrophobicContact CG1-CD2 4.45Å; V194-Y224 HydrophobicContact CG1-CE1 3.83Å; V194-Y224 HydrophobicContact CG1-CE2 4.37Å; V194-Y224 HydrophobicContact CG1-CG 4.25Å; V194-Y224 HydrophobicContact CG2-CD2 4.29Å; V194-Y224 HydrophobicContact CG2-CG 4.15Å; V194-Y229 HydrophobicContact CG1-CD1 3.91Å; V194-C230 PolarHBondContact N-O 3.32Å; V194-F231 HydrophobicContact CG2-CD1 3.56Å; V194-F231 HydrophobicContact CG2-CE1 3.68Å; V194-F231 WeakPolarHBondContact O-CA 3.27Å; V194-S232 PolarHBondContact O-N 2.69Å
195	T	91.1	Very high	88	Confident	39 Å²	39	55.7 Å²	55.7	24%	0.239	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	164.2	176.5	65	0	0	0	0	111.1	S197 S198 I199	T195-S197 VanDerWaalsContact C-N 3.25Å; T195-S197 PolarHBondContact O-N 3.19Å; T195-S198 PolarHBondContact O-N 2.98Å; T195-S198 PolarHBondContact OG1-N 3.18Å; T195-S198 PolarHBondContact OG1-OG 3.44Å; T195-S198 VanDerWaalsContact OG1-OG 3.12Å; T195-I199 WeakPolarHBondContact O-CG1 3.34Å; T195-I199 PolarHBondContact O-N 2.93Å; T195-I199 VanDerWaalsContact O-N 3.17Å
196	A	89.9	Confident	87.5	Confident	12 Å²	12	60 Å²	60	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-53.4	-45.4	172.5	0	0	0	0	0	111.3	I172 L175 I179 S198 I199 M200	I172-A196 HydrophobicContact CG1-CB 4.12Å; L175-A196 HydrophobicContact CB-CB 4.43Å; L175-A196 HydrophobicContact CD2-CB 3.98Å; L175-A196 HydrophobicContact CG-CB 4Å; I179-A196 HydrophobicContact CD1-CB 3.9Å; A196-S198 PolarHBondContact O-N 3.13Å; A196-I199 PolarHBondContact O-N 2.91Å; A196-M200 VanDerWaalsContact O-CG 3.28Å; A196-M200 WeakPolarHBondContact O-CG 3.42Å; A196-M200 PolarHBondContact O-N 3.39Å
197	S	86.6	Confident	86.9	Confident	56 Å²	56	64.9 Å²	64.9	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-44.5	179.7	-45.7	0	0	0	0	112.4	T195 I199 M200 V201	T195-S197 VanDerWaalsContact C-N 3.25Å; T195-S197 PolarHBondContact O-N 3.19Å; S197-I199 VanDerWaalsContact C-N 3.32Å; S197-I199 PolarHBondContact O-N 2.74Å; S197-M200 PolarHBondContact O-N 2.89Å; S197-V201 VanDerWaalsContact O-CG2 3.31Å; S197-V201 WeakPolarHBondContact O-CG2 3.44Å; S197-V201 PolarHBondContact O-N 3.39Å
198	S	88.8	Confident	86.1	Confident	63 Å²	63	62.1 Å²	62.1	44%	0.441	36%	0.356	S	S	.	.	H	α-helix	trans	-62.1	-40.3	178.1	-60.2	0	0	0	0	112.2	T195 A196 E202	T195-S198 PolarHBondContact O-N 2.98Å; T195-S198 PolarHBondContact OG1-N 3.18Å; T195-S198 PolarHBondContact OG1-OG 3.44Å; T195-S198 VanDerWaalsContact OG1-OG 3.12Å; A196-S198 PolarHBondContact O-N 3.13Å; S198-E202 PolarHBondContact O-N 3.45Å; S198-E202 VanDerWaalsContact O-N 3.11Å
199	I	91.2	Very high	85.3	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-66.5	-43.2	177.1	-65.2	171.7	0	0	0	110.5	L175 V194 T195 A196 S197 E202 V203 V217 R220 V221 Y224 F231	L175-I199 HydrophobicContact CD2-CB 4.02Å; L175-I199 HydrophobicContact CD2-CG2 3.95Å; V194-I199 HydrophobicContact CB-CG1 4.49Å; V194-I199 HydrophobicContact CG2-CD1 4.05Å; V194-I199 HydrophobicContact CG2-CG1 4.38Å; T195-I199 WeakPolarHBondContact O-CG1 3.34Å; T195-I199 PolarHBondContact O-N 2.93Å; T195-I199 VanDerWaalsContact O-N 3.17Å; A196-I199 PolarHBondContact O-N 2.91Å; S197-I199 VanDerWaalsContact C-N 3.32Å; S197-I199 PolarHBondContact O-N 2.74Å; I199-E202 PolarHBondContact O-N 3.43Å; I199-V203 HydrophobicContact CG2-CG2 4.49Å; I199-V203 WeakPolarHBondContact O-CG2 3.43Å; I199-V203 PolarHBondContact O-N 3.25Å; I199-V217 HydrophobicContact CG2-CG1 4.37Å; I199-R220 HydrophobicContact CG2-CB 3.94Å; I199-V221 HydrophobicContact CD1-CG2 4.04Å; I199-Y224 HydrophobicContact CG1-CD2 4.28Å; I199-Y224 HydrophobicContact CG1-CE2 4.27Å; I199-F231 HydrophobicContact CD1-CD1 4.29Å; I199-F231 HydrophobicContact CD1-CE1 4.14Å
200	M	88.9	Confident	85.2	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-42.3	178.8	-67.3	-63.1	-67.1	0	0	112	I172 L175 A196 S197 E202 V203 D204 P208 Q210 Q212 V217	I172-M200 HydrophobicContact CB-CG 4.34Å; I172-M200 HydrophobicContact CG1-CG 4.41Å; L175-M200 HydrophobicContact CD2-CG 3.95Å; L175-M200 HydrophobicContact CD2-SD 3.96Å; A196-M200 VanDerWaalsContact O-CG 3.28Å; A196-M200 WeakPolarHBondContact O-CG 3.42Å; A196-M200 PolarHBondContact O-N 3.39Å; S197-M200 PolarHBondContact O-N 2.89Å; M200-E202 VanDerWaalsContact C-N 3.32Å; M200-E202 PolarHBondContact O-N 3.39Å; M200-V203 PolarHBondContact O-N 3.12Å; M200-D204 PolarHBondContact O-N 3.45Å; M200-P208 WeakPolarHBondContact CE-O 3.21Å; M200-Q210 WeakPolarHBondContact CE-O 3.27Å; M200-Q212 HydrophobicContact CE-CB 4.16Å; M200-Q212 HydrophobicContact CE-CG 3.65Å; M200-V217 HydrophobicContact SD-CG1 4.34Å; M200-V217 HydrophobicContact SD-CG2 4.07Å
201	V	88.4	Confident	85.3	Confident	73 Å²	73	69.3 Å²	69.3	44%	0.442	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-35.7	175.7	170.4	0	0	0	0	112.1	S197 D204 P205 P208	S197-V201 VanDerWaalsContact O-CG2 3.31Å; S197-V201 WeakPolarHBondContact O-CG2 3.44Å; S197-V201 PolarHBondContact O-N 3.39Å; V201-D204 CarbonylContact O-C 3.48Å; V201-P205 VanDerWaalsContact O-CA 3.32Å; V201-P205 WeakPolarHBondContact O-CA 3.06Å; V201-P205 WeakPolarHBondContact O-CD 3.4Å; V201-P205 WeakPolarHBondContact O-CG 3.29Å; V201-P205 VanDerWaalsContact O-N 3.15Å; V201-P208 HydrophobicContact CG2-CB 3.8Å; V201-P208 HydrophobicContact CG2-CG 4.32Å
202	E	89.1	Confident	85.9	Confident	68 Å²	68	60.9 Å²	60.9	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-75	-30.4	178.1	-168.4	178.4	-174.2	0	0	113	S198 I199 M200 R220 Y224	S198-E202 PolarHBondContact O-N 3.45Å; S198-E202 VanDerWaalsContact O-N 3.11Å; I199-E202 PolarHBondContact O-N 3.43Å; M200-E202 VanDerWaalsContact C-N 3.32Å; M200-E202 PolarHBondContact O-N 3.39Å; E202-R220 IonicContact OE1-CZ 3.91Å; E202-R220 IonicContact OE1-NH1 2.99Å; E202-R220 PolarHBondContact OE1-NH1 3.42Å; E202-R220 IonicContact OE1-NH2 3.75Å; E202-R220 IonicContact OE2-NH1 2.63Å; E202-Y224 VanDerWaalsContact OE2-CE2 3.3Å; E202-Y224 WeakPolarHBondContact OE2-CE2 3.36Å; E202-Y224 VanDerWaalsContact OE2-CZ 3.29Å; E202-Y224 PolarHBondContact OE2-OH 2.81Å
203	V	89.2	Confident	86	Confident	16 Å²	16	62.5 Å²	62.5	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-72.3	-44.7	175.5	171.2	0	0	0	0	111	A42 I199 M200 Q212 A216 V217 R220	A42-V203 HydrophobicContact CB-CG1 4.36Å; I199-V203 HydrophobicContact CG2-CG2 4.49Å; I199-V203 WeakPolarHBondContact O-CG2 3.43Å; I199-V203 PolarHBondContact O-N 3.25Å; M200-V203 PolarHBondContact O-N 3.12Å; V203-Q212 HydrophobicContact CG1-CB 4.05Å; V203-Q212 HydrophobicContact CG1-CG 4.14Å; V203-A216 HydrophobicContact CG1-CB 3.85Å; V203-V217 HydrophobicContact CG1-CG2 4.27Å; V203-V217 HydrophobicContact CG2-CG2 4.27Å; V203-R220 HydrophobicContact CG2-CB 4.37Å; V203-R220 HydrophobicContact CG2-CG 3.66Å
204	D	87.1	Confident	86	Confident	33 Å²	33	59.6 Å²	59.6	18%	0.176	32%	0.321	C	S	.	.			trans	-144.4	99.3	176.2	-173.1	-10.5	0	0	0	110.8	M200 V201 L206 F207 Q212	M200-D204 PolarHBondContact O-N 3.45Å; V201-D204 CarbonylContact O-C 3.48Å; D204-L206 PolarHBondContact O-N 3.24Å; D204-L206 WeakPolarHBondContact OD1-CB 3.37Å; D204-L206 PolarHBondContact OD1-N 3.07Å; D204-F207 PolarHBondContact OD1-N 3.16Å; D204-F207 VanDerWaalsContact OD1-N 3.17Å; D204-Q212 HydrophobicContact CB-CG 4.45Å; D204-Q212 VanDerWaalsContact CB-NE2 3.28Å; D204-Q212 PolarHBondContact OD2-NE2 3.45Å
205	P	82.4	Confident	85.9	Confident	99 Å²	99	59.1 Å²	59.1	64%	0.643	32%	0.319	S	S	*	.	S	Bend	trans	-66.9	-19.7	178.9	-20.7	31.5	0	0	0	114	V201	V201-P205 VanDerWaalsContact O-CA 3.32Å; V201-P205 WeakPolarHBondContact O-CA 3.06Å; V201-P205 WeakPolarHBondContact O-CD 3.4Å; V201-P205 WeakPolarHBondContact O-CG 3.29Å; V201-P205 VanDerWaalsContact O-N 3.15Å
206	L	78.5	Confident	85.9	Confident	140 Å²	140	57.3 Å²	57.3	73%	0.733	31%	0.308	S	S	*	.	S	Bend	trans	-88.2	-35	-175.3	-67.3	170	0	0	0	111.7	D204	D204-L206 PolarHBondContact O-N 3.24Å; D204-L206 WeakPolarHBondContact OD1-CB 3.37Å; D204-L206 PolarHBondContact OD1-N 3.07Å
207	F	79.4	Confident	86.1	Confident	124 Å²	124	56.8 Å²	56.8	54%	0.544	30%	0.303	S	S	.	.			trans	-138	66.2	-177.7	-54.4	-74.3	0	0	0	112.7	D204 D209 Q210 Q212	D204-F207 PolarHBondContact OD1-N 3.16Å; D204-F207 VanDerWaalsContact OD1-N 3.17Å; F207-D209 VanDerWaalsContact C-N 3.28Å; F207-D209 PolarHBondContact O-N 3.08Å; F207-Q210 HydrophobicContact CB-CB 4.22Å; F207-Q210 PolarHBondContact O-N 3.45Å; F207-Q212 PolarHBondContact O-NE2 2.9Å
208	P	74.1	Confident	86.6	Confident	33 Å²	33	54.1 Å²	54.1	21%	0.214	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.6	-176.1	26.9	-35.3	0	0	0	113.9	M200 V201 Q210	M200-P208 WeakPolarHBondContact CE-O 3.21Å; V201-P208 HydrophobicContact CG2-CB 3.8Å; V201-P208 HydrophobicContact CG2-CG 4.32Å; P208-Q210 VanDerWaalsContact C-N 3.34Å
209	D	74.2	Confident	86.9	Confident	140 Å²	140	51.1 Å²	51.1	75%	0.749	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-10	-178.9	-60.9	-42	0	0	0	113.4	F207	F207-D209 VanDerWaalsContact C-N 3.28Å; F207-D209 PolarHBondContact O-N 3.08Å
210	Q	82.6	Confident	87.1	Confident	121 Å²	121	52.8 Å²	52.8	57%	0.565	27%	0.27	S	S	*	.	S	Bend	trans	-80.9	152	178.4	-168.3	171.8	-6	0	0	111	M200 F207 P208 Q212	M200-Q210 WeakPolarHBondContact CE-O 3.27Å; F207-Q210 HydrophobicContact CB-CB 4.22Å; F207-Q210 PolarHBondContact O-N 3.45Å; P208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-Q212 PolarHBondContact O-N 2.94Å
211	K	84.2	Confident	87.4	Confident	101 Å²	101	52.8 Å²	52.8	44%	0.439	27%	0.27	S	S	.	.			trans	-63.1	122.9	170.4	-61.8	-171	176.2	-170.2	0	109.4	H169 I170	H169-K211 HydrophobicContact CB-CB 3.78Å; H169-K211 PolarHBondContact CD2-O 3.04Å; I170-K211 CarbonylContact O-C 3.57Å; I170-K211 WeakPolarHBondContact O-CA 3.45Å
212	Q	88.3	Confident	87.8	Confident	22 Å²	22	49.3 Å²	49.3	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	159	-176.7	-66	-60	-23.5	0	0	111.5	H169 I170 M200 V203 D204 F207 Q210 V214 V217	H169-Q212 CarbonylContact C-O 3.45Å; H169-Q212 WeakPolarHBondContact CA-O 3.32Å; H169-Q212 WeakPolarHBondContact CB-O 3.46Å; I170-Q212 PolarHBondContact N-O 3.39Å; I170-Q212 PolarHBondContact O-N 2.83Å; M200-Q212 HydrophobicContact CE-CB 4.16Å; M200-Q212 HydrophobicContact CE-CG 3.65Å; V203-Q212 HydrophobicContact CG1-CB 4.05Å; V203-Q212 HydrophobicContact CG1-CG 4.14Å; D204-Q212 HydrophobicContact CB-CG 4.45Å; D204-Q212 VanDerWaalsContact CB-NE2 3.28Å; D204-Q212 PolarHBondContact OD2-NE2 3.45Å; F207-Q212 PolarHBondContact O-NE2 2.9Å; Q210-Q212 PolarHBondContact O-N 2.94Å; Q212-V214 PolarHBondContact O-N 3.46Å; Q212-V217 HydrophobicContact CB-CG2 3.68Å
213	E	89.6	Confident	88.1	Confident	91 Å²	91	48.6 Å²	48.6	43%	0.425	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	127.1	178.5	-74.4	-169.8	-149.4	0	0	111.6	V43 T168 G215 A216 V217	V43-E213 HydrophobicContact CG2-CB 4.11Å; V43-E213 WeakPolarHBondContact CG2-OE2 3.26Å; T168-E213 CarbonylContact O-C 3.38Å; T168-E213 VanDerWaalsContact O-CA 3.31Å; T168-E213 WeakPolarHBondContact O-CA 3.35Å; E213-G215 PolarHBondContact O-N 2.94Å; E213-A216 HydrophobicContact CB-CB 4.43Å; E213-A216 WeakPolarHBondContact O-CB 3.37Å; E213-A216 PolarHBondContact O-N 2.71Å; E213-V217 PolarHBondContact O-N 3.39Å; E213-V217 VanDerWaalsContact O-N 3.14Å
214	V	90.6	Very high	88.4	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-55	-40.4	-176.2	167.9	0	0	0	0	111.7	L156 T160 H167 T168 I170 Q212 A216 V217 L218	L156-V214 HydrophobicContact CD2-CG1 3.52Å; T160-V214 HydrophobicContact CG2-CG2 3.76Å; H167-V214 WeakPolarHBondContact O-CG2 3.26Å; T168-V214 PolarHBondContact O-N 3.28Å; I170-V214 HydrophobicContact CB-CG2 3.96Å; I170-V214 HydrophobicContact CG2-CG2 4.14Å; Q212-V214 PolarHBondContact O-N 3.46Å; V214-A216 VanDerWaalsContact C-N 3.29Å; V214-A216 PolarHBondContact O-N 3.4Å; V214-V217 PolarHBondContact O-N 3.14Å; V214-L218 HydrophobicContact CG1-CD1 3.61Å; V214-L218 HydrophobicContact CG1-CG 4.02Å; V214-L218 WeakPolarHBondContact O-CB 3.23Å; V214-L218 WeakPolarHBondContact O-CG 3.36Å; V214-L218 PolarHBondContact O-N 2.67Å
215	G	89.3	Confident	88.8	Confident	3 Å²	3	47.9 Å²	47.9	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-33.8	179.4	0	0	0	0	0	113.4	E213 G219	E213-G215 PolarHBondContact O-N 2.94Å; G215-G219 WeakPolarHBondContact O-CA 3.34Å; G215-G219 PolarHBondContact O-N 2.89Å
216	A	92.3	Very high	89.3	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-72.2	-50.1	177	0	0	0	0	0	110	A42 V43 V203 E213 V214 G219 R220	A42-A216 HydrophobicContact CB-CB 3.74Å; V43-A216 HydrophobicContact CG2-CB 4.15Å; V203-A216 HydrophobicContact CG1-CB 3.85Å; E213-A216 HydrophobicContact CB-CB 4.43Å; E213-A216 WeakPolarHBondContact O-CB 3.37Å; E213-A216 PolarHBondContact O-N 2.71Å; V214-A216 VanDerWaalsContact C-N 3.29Å; V214-A216 PolarHBondContact O-N 3.4Å; A216-G219 PolarHBondContact O-N 3.15Å; A216-R220 WeakPolarHBondContact O-CG 3.48Å; A216-R220 PolarHBondContact O-N 2.98Å
217	V	94.4	Very high	90	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-54.2	-178	179.3	0	0	0	0	111.7	I170 L175 I199 M200 V203 Q212 E213 V214 G219 R220 V221	I170-V217 HydrophobicContact CG2-CB 3.63Å; I170-V217 HydrophobicContact CG2-CG1 3.79Å; I170-V217 HydrophobicContact CG2-CG2 3.68Å; L175-V217 HydrophobicContact CB-CG1 4.49Å; L175-V217 HydrophobicContact CD1-CG1 3.75Å; L175-V217 HydrophobicContact CD2-CG1 3.76Å; L175-V217 HydrophobicContact CG-CG1 4.21Å; I199-V217 HydrophobicContact CG2-CG1 4.37Å; M200-V217 HydrophobicContact SD-CG1 4.34Å; M200-V217 HydrophobicContact SD-CG2 4.07Å; V203-V217 HydrophobicContact CG1-CG2 4.27Å; V203-V217 HydrophobicContact CG2-CG2 4.27Å; Q212-V217 HydrophobicContact CB-CG2 3.68Å; E213-V217 PolarHBondContact O-N 3.39Å; E213-V217 VanDerWaalsContact O-N 3.14Å; V214-V217 PolarHBondContact O-N 3.14Å; V217-G219 VanDerWaalsContact C-N 3.25Å; V217-G219 PolarHBondContact O-N 3.38Å; V217-R220 PolarHBondContact O-N 3.39Å; V217-R220 VanDerWaalsContact O-N 3.13Å; V217-V221 WeakPolarHBondContact O-CG2 3.36Å; V217-V221 PolarHBondContact O-N 2.95Å
218	L	95.6	Very high	90.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69	-26.6	179.3	-61.8	-172.9	0	0	0	112.1	A126 A127 V130 F155 L156 V178 V214 V221 L222	A126-L218 HydrophobicContact CB-CB 4.39Å; A127-L218 HydrophobicContact CB-CD1 3.82Å; V130-L218 HydrophobicContact CG1-CD2 4.41Å; V130-L218 HydrophobicContact CG2-CB 4.31Å; F155-L218 HydrophobicContact CE1-CD1 4.35Å; L156-L218 HydrophobicContact CD2-CD1 3.66Å; V178-L218 HydrophobicContact CG1-CD2 4.11Å; V178-L218 HydrophobicContact CG2-CD2 4.36Å; V214-L218 HydrophobicContact CG1-CD1 3.61Å; V214-L218 HydrophobicContact CG1-CG 4.02Å; V214-L218 WeakPolarHBondContact O-CB 3.23Å; V214-L218 WeakPolarHBondContact O-CG 3.36Å; V214-L218 PolarHBondContact O-N 2.67Å; L218-V221 PolarHBondContact O-N 3.15Å; L218-L222 WeakPolarHBondContact O-CB 3.28Å; L218-L222 PolarHBondContact O-N 2.93Å
219	G	94.9	Very high	91.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-41.6	169.9	0	0	0	0	0	112.3	G215 A216 V217 L222 Y223	G215-G219 WeakPolarHBondContact O-CA 3.34Å; G215-G219 PolarHBondContact O-N 2.89Å; A216-G219 PolarHBondContact O-N 3.15Å; V217-G219 VanDerWaalsContact C-N 3.25Å; V217-G219 PolarHBondContact O-N 3.38Å; G219-L222 PolarHBondContact O-N 3.5Å; G219-Y223 WeakPolarHBondContact O-CB 3.46Å; G219-Y223 PolarHBondContact O-N 2.99Å
220	R	95.9	Very high	92.4	Very high	36 Å²	36	30 Å²	30	14%	0.136	14%	0.137	C	C	.	.	H	α-helix	trans	-67.5	-40.3	173.2	-68.5	-52.3	-168.9	129.2	9.1	112.7	A46 I199 E202 V203 A216 V217 L222 Y223 Y224	A46-R220 HydrophobicContact CB-CG 4.45Å; I199-R220 HydrophobicContact CG2-CB 3.94Å; E202-R220 IonicContact OE1-CZ 3.91Å; E202-R220 IonicContact OE1-NH1 2.99Å; E202-R220 PolarHBondContact OE1-NH1 3.42Å; E202-R220 IonicContact OE1-NH2 3.75Å; E202-R220 IonicContact OE2-NH1 2.63Å; V203-R220 HydrophobicContact CG2-CB 4.37Å; V203-R220 HydrophobicContact CG2-CG 3.66Å; A216-R220 WeakPolarHBondContact O-CG 3.48Å; A216-R220 PolarHBondContact O-N 2.98Å; V217-R220 PolarHBondContact O-N 3.39Å; V217-R220 VanDerWaalsContact O-N 3.13Å; R220-L222 VanDerWaalsContact C-N 3.33Å; R220-L222 PolarHBondContact O-N 3.49Å; R220-Y223 WeakPolarHBondContact O-CB 3.48Å; R220-Y223 PolarHBondContact O-N 2.85Å; R220-Y224 VanDerWaalsContact O-CD2 3.23Å; R220-Y224 WeakPolarHBondContact O-CD2 3.31Å; R220-Y224 PolarHBondContact O-N 3.32Å
221	V	96.1	Very high	92.8	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.2	-48.4	172	175	0	0	0	0	110.4	V130 L175 L182 I199 V217 L218 Y223 Y224 A225 F231	V130-V221 HydrophobicContact CG1-CG1 4.2Å; V130-V221 HydrophobicContact CG2-CB 4.2Å; V130-V221 HydrophobicContact CG2-CG1 3.88Å; L175-V221 HydrophobicContact CD1-CG2 3.72Å; L182-V221 HydrophobicContact CD1-CG1 3.79Å; I199-V221 HydrophobicContact CD1-CG2 4.04Å; V217-V221 WeakPolarHBondContact O-CG2 3.36Å; V217-V221 PolarHBondContact O-N 2.95Å; L218-V221 PolarHBondContact O-N 3.15Å; V221-Y223 VanDerWaalsContact C-N 3.35Å; V221-Y223 PolarHBondContact O-N 3.3Å; V221-Y224 PolarHBondContact O-N 2.81Å; V221-A225 WeakPolarHBondContact O-CB 3.3Å; V221-A225 PolarHBondContact O-N 2.98Å; V221-F231 HydrophobicContact CG1-CE1 4.03Å; V221-F231 HydrophobicContact CG1-CZ 3.9Å
222	L	96.3	Very high	92.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.7	-42.5	177.2	177.6	59.2	0	0	0	112.1	V50 L73 A126 V130 L218 G219 R220 A225 L226	V50-L222 HydrophobicContact CG1-CD2 4.48Å; V50-L222 HydrophobicContact CG2-CD2 4.38Å; V50-L222 HydrophobicContact CG2-CG 4.34Å; L73-L222 HydrophobicContact CD1-CD1 4Å; L73-L222 HydrophobicContact CD2-CD1 3.92Å; A126-L222 HydrophobicContact CB-CD2 4.39Å; V130-L222 HydrophobicContact CG2-CB 4.42Å; L218-L222 WeakPolarHBondContact O-CB 3.28Å; L218-L222 PolarHBondContact O-N 2.93Å; G219-L222 PolarHBondContact O-N 3.5Å; R220-L222 VanDerWaalsContact C-N 3.33Å; R220-L222 PolarHBondContact O-N 3.49Å; L222-A225 PolarHBondContact O-N 2.89Å; L222-L226 HydrophobicContact CD1-CD1 4.35Å; L222-L226 HydrophobicContact CD1-CG 4.28Å; L222-L226 HydrophobicContact CG-CD1 4.21Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.23Å; L222-L226 PolarHBondContact O-N 2.97Å
223	Y	95.8	Very high	91.7	Very high	54 Å²	54	23.4 Å²	23.4	21%	0.212	11%	0.114	C	C	.	.	H	α-helix	trans	-58.1	-49.4	175.6	169.5	-104.1	0	0	0	112.2	A49 V53 G219 R220 V221 A225 L226 L227	A49-Y223 HydrophobicContact CB-CD2 3.78Å; A49-Y223 HydrophobicContact CB-CE2 4.02Å; A49-Y223 HydrophobicContact CB-CG 4.14Å; A49-Y223 WeakPolarHBondContact O-CD2 3.4Å; V53-Y223 HydrophobicContact CG2-CD2 3.82Å; V53-Y223 HydrophobicContact CG2-CE2 3.56Å; G219-Y223 WeakPolarHBondContact O-CB 3.46Å; G219-Y223 PolarHBondContact O-N 2.99Å; R220-Y223 WeakPolarHBondContact O-CB 3.48Å; R220-Y223 PolarHBondContact O-N 2.85Å; V221-Y223 VanDerWaalsContact C-N 3.35Å; V221-Y223 PolarHBondContact O-N 3.3Å; Y223-A225 VanDerWaalsContact C-N 3.33Å; Y223-A225 PolarHBondContact O-N 3.08Å; Y223-L226 PolarHBondContact O-N 3.47Å; Y223-L227 HydrophobicContact CD1-CD1 4.26Å; Y223-L227 HydrophobicContact CE1-CD1 3.61Å; Y223-L227 HydrophobicContact CE2-CD1 4.02Å; Y223-L227 HydrophobicContact CE2-CG 4.37Å; Y223-L227 VanDerWaalsContact CZ-CD1 3.48Å; Y223-L227 PolarHBondContact O-N 2.88Å; Y223-L227 VanDerWaalsContact O-N 3.08Å
224	Y	95.3	Very high	90.2	Very high	33 Å²	33	27.3 Å²	27.3	13%	0.129	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-35.8	177.3	-79	-62.1	0	0	0	112.9	V194 I199 E202 R220 V221 L227 G228 Y229	V194-Y224 HydrophobicContact CG1-CD1 3.93Å; V194-Y224 HydrophobicContact CG1-CD2 4.45Å; V194-Y224 HydrophobicContact CG1-CE1 3.83Å; V194-Y224 HydrophobicContact CG1-CE2 4.37Å; V194-Y224 HydrophobicContact CG1-CG 4.25Å; V194-Y224 HydrophobicContact CG2-CD2 4.29Å; V194-Y224 HydrophobicContact CG2-CG 4.15Å; I199-Y224 HydrophobicContact CG1-CD2 4.28Å; I199-Y224 HydrophobicContact CG1-CE2 4.27Å; E202-Y224 VanDerWaalsContact OE2-CE2 3.3Å; E202-Y224 WeakPolarHBondContact OE2-CE2 3.36Å; E202-Y224 VanDerWaalsContact OE2-CZ 3.29Å; E202-Y224 PolarHBondContact OE2-OH 2.81Å; R220-Y224 VanDerWaalsContact O-CD2 3.23Å; R220-Y224 WeakPolarHBondContact O-CD2 3.31Å; R220-Y224 PolarHBondContact O-N 3.32Å; V221-Y224 PolarHBondContact O-N 2.81Å; Y224-L227 PolarHBondContact O-N 3.11Å; Y224-G228 PolarHBondContact O-N 3.23Å; Y224-Y229 HydrophobicContact CD1-CD1 4.16Å; Y224-Y229 HydrophobicContact CD1-CD2 4.04Å; Y224-Y229 HydrophobicContact CD1-CE2 4.42Å; Y224-Y229 AromaticContact CD1-CG 3.91Å; Y224-Y229 HydrophobicContact CD1-CG 3.91Å; Y224-Y229 HydrophobicContact CE1-CD1 4.48Å; Y224-Y229 HydrophobicContact CE1-CE1 4.47Å; Y224-Y229 PolarHBondContact O-N 3Å
225	A	94.2	Very high	88.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-39	174.4	0	0	0	0	0	112.3	L133 Y186 V221 L222 Y223 G228 F231	L133-A225 HydrophobicContact CD1-CB 3.58Å; Y186-A225 HydrophobicContact CE2-CB 3.93Å; Y186-A225 WeakPolarHBondContact OH-CA 3.28Å; V221-A225 WeakPolarHBondContact O-CB 3.3Å; V221-A225 PolarHBondContact O-N 2.98Å; L222-A225 PolarHBondContact O-N 2.89Å; Y223-A225 VanDerWaalsContact C-N 3.33Å; Y223-A225 PolarHBondContact O-N 3.08Å; A225-G228 WeakPolarHBondContact O-CA 3.19Å; A225-G228 PolarHBondContact O-N 3.28Å; A225-G228 VanDerWaalsContact O-N 3.09Å; A225-F231 HydrophobicContact CB-CE2 4.31Å; A225-F231 HydrophobicContact CB-CZ 4.26Å
226	L	93.8	Very high	86.9	Confident	13 Å²	13	39 Å²	39	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-37.8	175.4	-71.2	168.7	0	0	0	112.1	V50 V53 V54 L69 T72 L73 L222 Y223 G228	V50-L226 HydrophobicContact CG1-CD1 3.93Å; V53-L226 HydrophobicContact CG1-CB 4.12Å; V54-L226 HydrophobicContact CG1-CD1 3.9Å; V54-L226 HydrophobicContact CG1-CD2 4.36Å; L69-L226 HydrophobicContact CD1-CD1 4.39Å; L69-L226 HydrophobicContact CG-CD1 4.41Å; L69-L226 HydrophobicContact CG-CD2 4.18Å; T72-L226 HydrophobicContact CG2-CD2 3.93Å; L73-L226 HydrophobicContact CD2-CD2 3.81Å; L73-L226 HydrophobicContact CD2-CG 4.38Å; L73-L226 HydrophobicContact CG-CD2 4.47Å; L222-L226 HydrophobicContact CD1-CD1 4.35Å; L222-L226 HydrophobicContact CD1-CG 4.28Å; L222-L226 HydrophobicContact CG-CD1 4.21Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.23Å; L222-L226 PolarHBondContact O-N 2.97Å; Y223-L226 PolarHBondContact O-N 3.47Å; L226-G228 PolarHBondContact O-N 3.5Å
227	L	93.4	Very high	85.4	Confident	63 Å²	63	42.1 Å²	42.1	33%	0.33	22%	0.219	S	C	.	.	H	α-helix	trans	-71.5	-16.7	171.8	-65.9	-179.1	0	0	0	113.2	V53 Y223 Y224 Y229	V53-L227 HydrophobicContact CG2-CD2 4.11Å; Y223-L227 HydrophobicContact CD1-CD1 4.26Å; Y223-L227 HydrophobicContact CE1-CD1 3.61Å; Y223-L227 HydrophobicContact CE2-CD1 4.02Å; Y223-L227 HydrophobicContact CE2-CG 4.37Å; Y223-L227 VanDerWaalsContact CZ-CD1 3.48Å; Y223-L227 PolarHBondContact O-N 2.88Å; Y223-L227 VanDerWaalsContact O-N 3.08Å; Y224-L227 PolarHBondContact O-N 3.11Å; L227-Y229 HydrophobicContact CB-CD2 3.64Å; L227-Y229 HydrophobicContact CB-CE2 3.77Å; L227-Y229 HydrophobicContact CD1-CD2 4.43Å; L227-Y229 HydrophobicContact CD1-CE2 3.99Å
228	G	91.9	Very high	84	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	22.7	176	0	0	0	0	0	115.1	S189 N190 Y224 A225 L226	S189-G228 PolarHBondContact N-O 3.17Å; N190-G228 VanDerWaalsContact CB-O 3.29Å; N190-G228 WeakPolarHBondContact CB-O 3.21Å; N190-G228 PolarHBondContact N-O 2.99Å; Y224-G228 PolarHBondContact O-N 3.23Å; A225-G228 WeakPolarHBondContact O-CA 3.19Å; A225-G228 PolarHBondContact O-N 3.28Å; A225-G228 VanDerWaalsContact O-N 3.09Å; L226-G228 PolarHBondContact O-N 3.5Å
229	Y	93.9	Very high	82.9	Confident	65 Å²	65	57.3 Å²	57.3	26%	0.255	29%	0.29	S	S	.	.			trans	-67.4	155.1	174.5	-78.6	-116.1	0	0	0	111.3	Y186 S192 V194 Y224 L227	Y186-Y229 WeakPolarHBondContact CE1-O 3.44Å; Y186-Y229 PolarHBondContact OH-O 3.03Å; S192-Y229 VanDerWaalsContact CB-CE1 3.46Å; S192-Y229 WeakPolarHBondContact O-CA 3.28Å; S192-Y229 WeakPolarHBondContact O-CB 3.25Å; S192-Y229 VanDerWaalsContact O-CD1 3.25Å; S192-Y229 WeakPolarHBondContact O-CD1 3.24Å; V194-Y229 HydrophobicContact CG1-CD1 3.91Å; Y224-Y229 HydrophobicContact CD1-CD1 4.16Å; Y224-Y229 HydrophobicContact CD1-CD2 4.04Å; Y224-Y229 HydrophobicContact CD1-CE2 4.42Å; Y224-Y229 AromaticContact CD1-CG 3.91Å; Y224-Y229 HydrophobicContact CD1-CG 3.91Å; Y224-Y229 HydrophobicContact CE1-CD1 4.48Å; Y224-Y229 HydrophobicContact CE1-CE1 4.47Å; Y224-Y229 PolarHBondContact O-N 3Å; L227-Y229 HydrophobicContact CB-CD2 3.64Å; L227-Y229 HydrophobicContact CB-CE2 3.77Å; L227-Y229 HydrophobicContact CD1-CD2 4.43Å; L227-Y229 HydrophobicContact CD1-CE2 3.99Å
230	C	91.4	Very high	81.9	Confident	20 Å²	20	59.8 Å²	59.8	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	159.9	168.1	35.5	0	0	0	0	112	P188 S192 C193 V194	P188-C230 HydrophobicContact CB-CB 3.99Å; P188-C230 HydrophobicContact CG-CB 4.07Å; S192-C230 PolarHBondContact O-N 2.93Å; S192-C230 PolarHBondContact O-SG 3.06Å; C193-C230 CarbonylContact C-O 3.56Å; C193-C230 WeakPolarHBondContact CA-O 3.41Å; C193-C230 WeakPolarHBondContact CA-SG 3.26Å; C193-C230 HydrophobicContact CB-CB 3.95Å; C193-C230 WeakPolarHBondContact CB-SG 3.22Å; C193-C230 PolarHBondContact N-SG 3.36Å; C193-C230 VanDerWaalsContact N-SG 3.36Å; C193-C230 WeakPolarHBondContact SG-CB 3.25Å; C193-C230 CovalentContact SG-SG 2.03Å; C193-C230 PolarHBondContact SG-SG 3.21Å; V194-C230 PolarHBondContact N-O 3.32Å
231	F	91.4	Very high	81.2	Confident	16 Å²	16	63.3 Å²	63.3	7%	0.07	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.8	175.9	-59.8	-82.6	0	0	0	110.2	I179 L182 Y186 V194 I199 V221 A225	I179-F231 HydrophobicContact CB-CB 4.45Å; I179-F231 HydrophobicContact CD1-CD1 4.49Å; I179-F231 HydrophobicContact CG1-CB 4.19Å; I179-F231 HydrophobicContact CG1-CD1 4.33Å; I179-F231 HydrophobicContact CG2-CB 3.71Å; L182-F231 HydrophobicContact CD1-CD2 3.91Å; L182-F231 HydrophobicContact CD1-CE2 4.01Å; L182-F231 HydrophobicContact CD1-CG 4.26Å; L182-F231 HydrophobicContact CD1-CZ 4.44Å; Y186-F231 AromaticContact CD1-CD2 3.84Å; Y186-F231 HydrophobicContact CD1-CD2 3.84Å; Y186-F231 HydrophobicContact CD1-CE2 4.05Å; Y186-F231 AromaticContact CE1-CD2 3.65Å; Y186-F231 HydrophobicContact CE1-CD2 3.65Å; Y186-F231 AromaticContact CE1-CE2 3.61Å; Y186-F231 HydrophobicContact CE1-CE2 3.61Å; Y186-F231 AromaticContact CZ-CE2 3.87Å; V194-F231 HydrophobicContact CG2-CD1 3.56Å; V194-F231 HydrophobicContact CG2-CE1 3.68Å; V194-F231 WeakPolarHBondContact O-CA 3.27Å; I199-F231 HydrophobicContact CD1-CD1 4.29Å; I199-F231 HydrophobicContact CD1-CE1 4.14Å; V221-F231 HydrophobicContact CG1-CE1 4.03Å; V221-F231 HydrophobicContact CG1-CZ 3.9Å; A225-F231 HydrophobicContact CB-CE2 4.31Å; A225-F231 HydrophobicContact CB-CZ 4.26Å
232	S	84.1	Confident	80.5	Confident	39 Å²	39	68.7 Å²	68.7	27%	0.273	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.7	-178.1	-60.2	0	0	0	0	111.3	C193 V194	C193-S232 WeakPolarHBondContact CB-OG 3.28Å; V194-S232 PolarHBondContact O-N 2.69Å
233	D	65.9	Low	79.9	Confident	51 Å²	51	70.2 Å²	70.2	27%	0.273	36%	0.356	S	S	.	.			trans	-105.7	61.3	-178	-172.2	16.9	0	0	0	111.5	I179 S235	I179-D233 HydrophobicContact CG2-CB 4.22Å; D233-S235 PolarHBondContact O-N 3.28Å; D233-S235 VanDerWaalsContact O-N 3.12Å; D233-S235 PolarHBondContact OD1-OG 3.43Å
234	E	58.1	Low	79.1	Confident	173 Å²	173	71.3 Å²	71.3	81%	0.808	37%	0.365	S	S	*	.			trans	-82.3	73.9	164.1	-70.9	-166.3	170.9	0	0	109.1
235	S	55.7	Low	78.4	Confident	86 Å²	86	76 Å²	76	60%	0.601	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-91.7	129.1	165	50.5	0	0	0	0	109.9	D233	D233-S235 PolarHBondContact O-N 3.28Å; D233-S235 VanDerWaalsContact O-N 3.12Å; D233-S235 PolarHBondContact OD1-OG 3.43Å
236	L	55.6	Low	77.8	Confident	168 Å²	168	78.5 Å²	78.5	88%	0.88	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-78.1	145.6	-180	-65.6	169.1	0	0	0	110.7
237	P	59	Low	77	Confident	67 Å²	67	79.4 Å²	79.4	44%	0.435	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-73	156	-178.5	29.6	-35	0	0	0	113.6	F241 F242	P237-F241 HydrophobicContact CB-CB 4.02Å; P237-F241 HydrophobicContact CB-CD1 3.87Å; P237-F241 HydrophobicContact CB-CG 3.92Å; P237-F241 HydrophobicContact CG-CD1 4.1Å; P237-F242 HydrophobicContact CG-CE2 4.1Å; P237-F242 HydrophobicContact CG-CZ 3.75Å
238	E	65.3	Low	76.2	Confident	156 Å²	156	81.9 Å²	81.9	73%	0.729	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-68.8	155.2	172.1	-66.8	-168.2	165.8	0	0	112.2	S240 F241	E238-S240 VanDerWaalsContact C-N 3.25Å; E238-S240 PolarHBondContact O-N 2.79Å; E238-F241 WeakPolarHBondContact O-CB 3.4Å; E238-F241 PolarHBondContact O-N 3.04Å; E238-F241 VanDerWaalsContact O-N 3.07Å
239	E	72.6	Confident	75.3	Confident	164 Å²	164	86.9 Å²	86.9	77%	0.766	44%	0.442	S	S	*	.	H	α-helix	trans	-55.3	-36.6	-177	-174.2	-176.2	165.4	0	0	113.6	F241 F242	E239-F241 PolarHBondContact O-N 2.95Å; E239-F242 PolarHBondContact O-N 3.42Å
240	S	75.2	Confident	74.1	Confident	52 Å²	52	84.9 Å²	84.9	36%	0.364	44%	0.436	S	S	.	.	H	α-helix	trans	-61.4	-30.3	179.7	50.1	0	0	0	0	113.2	E238 F242 L243 D244	E238-S240 VanDerWaalsContact C-N 3.25Å; E238-S240 PolarHBondContact O-N 2.79Å; S240-F242 VanDerWaalsContact C-N 3.28Å; S240-F242 PolarHBondContact O-N 2.85Å; S240-L243 PolarHBondContact O-N 3.44Å; S240-D244 WeakPolarHBondContact O-CB 3.21Å; S240-D244 PolarHBondContact O-N 3.34Å
241	F	79.6	Confident	72.6	Confident	109 Å²	109	87.3 Å²	87.3	48%	0.478	46%	0.464	S	S	.	.	H	α-helix	trans	-54.7	-43.2	-178.6	172.9	-98.1	0	0	0	112.2	P237 E238 E239 D244 Y245	P237-F241 HydrophobicContact CB-CB 4.02Å; P237-F241 HydrophobicContact CB-CD1 3.87Å; P237-F241 HydrophobicContact CB-CG 3.92Å; P237-F241 HydrophobicContact CG-CD1 4.1Å; E238-F241 WeakPolarHBondContact O-CB 3.4Å; E238-F241 PolarHBondContact O-N 3.04Å; E238-F241 VanDerWaalsContact O-N 3.07Å; E239-F241 PolarHBondContact O-N 2.95Å; F241-D244 PolarHBondContact O-N 3.43Å; F241-Y245 VanDerWaalsContact O-CB 3.26Å; F241-Y245 WeakPolarHBondContact O-CB 3.48Å; F241-Y245 PolarHBondContact O-N 3.27Å
242	F	82.8	Confident	70.9	Confident	114 Å²	114	88.6 Å²	88.6	50%	0.5	48%	0.475	S	S	.	.	H	α-helix	trans	-67.7	-40.6	-176.2	-61	-79.3	0	0	0	111.9	P237 E239 S240 I246	P237-F242 HydrophobicContact CG-CE2 4.1Å; P237-F242 HydrophobicContact CG-CZ 3.75Å; E239-F242 PolarHBondContact O-N 3.42Å; S240-F242 VanDerWaalsContact C-N 3.28Å; S240-F242 PolarHBondContact O-N 2.85Å; F242-I246 WeakPolarHBondContact O-CD1 3.49Å; F242-I246 VanDerWaalsContact O-CG1 3.3Å; F242-I246 WeakPolarHBondContact O-CG1 3.35Å; F242-I246 PolarHBondContact O-N 3.07Å
243	L	82.4	Confident	69.8	Low	31 Å²	31	96.1 Å²	96.1	16%	0.162	51%	0.506	C	S	.	.	H	α-helix	trans	-71.8	-40.8	178.7	-66.4	174.6	0	0	0	111.3	S240 Y245 I246 M247 Q333 I336 A337	S240-L243 PolarHBondContact O-N 3.44Å; L243-Y245 VanDerWaalsContact C-N 3.34Å; L243-I246 PolarHBondContact O-N 2.93Å; L243-M247 WeakPolarHBondContact O-CG 3.47Å; L243-M247 PolarHBondContact O-N 3.46Å; L243-Q333 HydrophobicContact CB-CG 3.73Å; L243-Q333 HydrophobicContact CD1-CG 4Å; L243-Q333 HydrophobicContact CG-CG 4.4Å; L243-I336 HydrophobicContact CD2-CG2 4.28Å; L243-A337 HydrophobicContact CD1-CB 4.19Å; L243-A337 HydrophobicContact CD2-CB 4.15Å
244	D	79.9	Confident	69.5	Low	78 Å²	78	100 Å²	100	42%	0.417	53%	0.526	S	S	.	.	H	α-helix	trans	-64.9	-38.4	176.6	-72	-14.3	0	0	0	111.7	S240 F241 M247 T248 Q333	S240-D244 WeakPolarHBondContact O-CB 3.21Å; S240-D244 PolarHBondContact O-N 3.34Å; F241-D244 PolarHBondContact O-N 3.43Å; D244-M247 PolarHBondContact O-N 2.79Å; D244-T248 WeakPolarHBondContact O-CB 3.3Å; D244-T248 PolarHBondContact O-N 3.29Å; D244-T248 PolarHBondContact O-OG1 2.86Å; D244-Q333 PolarHBondContact OD1-NE2 2.93Å
245	Y	81.4	Confident	70	Confident	131 Å²	131	92.2 Å²	92.2	51%	0.514	49%	0.49	S	S	.	.	H	α-helix	trans	-62.3	-47.3	175.9	-179.4	-94.4	0	0	0	112	F241 L243 T248 Q249	F241-Y245 VanDerWaalsContact O-CB 3.26Å; F241-Y245 WeakPolarHBondContact O-CB 3.48Å; F241-Y245 PolarHBondContact O-N 3.27Å; L243-Y245 VanDerWaalsContact C-N 3.34Å; Y245-T248 PolarHBondContact O-N 2.67Å; Y245-Q249 HydrophobicContact CE1-CG 4.12Å; Y245-Q249 WeakPolarHBondContact O-CG 3.49Å; Y245-Q249 PolarHBondContact O-N 3.43Å; Y245-Q249 VanDerWaalsContact O-N 3.1Å; Y245-Q249 PolarHBondContact OH-NE2 3.2Å
246	I	81.2	Confident	71.1	Confident	53 Å²	53	91.1 Å²	91.1	27%	0.272	48%	0.48	S	S	.	.	H	α-helix	trans	-61.7	-45.8	178.1	-67.7	166.1	0	0	0	110.3	F242 L243 T248 Q249 L250 L263 I336	F242-I246 WeakPolarHBondContact O-CD1 3.49Å; F242-I246 VanDerWaalsContact O-CG1 3.3Å; F242-I246 WeakPolarHBondContact O-CG1 3.35Å; F242-I246 PolarHBondContact O-N 3.07Å; L243-I246 PolarHBondContact O-N 2.93Å; I246-T248 PolarHBondContact O-N 2.92Å; I246-Q249 PolarHBondContact O-N 3.13Å; I246-L250 HydrophobicContact CG2-CD1 3.69Å; I246-L250 WeakPolarHBondContact O-CD1 3.18Å; I246-L250 VanDerWaalsContact O-CG 3.32Å; I246-L250 WeakPolarHBondContact O-CG 3.32Å; I246-L250 PolarHBondContact O-N 3.41Å; I246-L263 HydrophobicContact CG2-CD2 4.48Å; I246-I336 HydrophobicContact CG2-CD1 3.89Å; I246-I336 HydrophobicContact CG2-CG2 4.25Å
247	M	76.7	Confident	72.1	Confident	32 Å²	32	85.4 Å²	85.4	16%	0.158	45%	0.451	C	S	.	.	H	α-helix	trans	-64	-41.2	178.9	-73	-60	-170.2	0	0	113	L243 D244 Q249 L250 G251 G332 Q333 I336	L243-M247 WeakPolarHBondContact O-CG 3.47Å; L243-M247 PolarHBondContact O-N 3.46Å; D244-M247 PolarHBondContact O-N 2.79Å; M247-Q249 VanDerWaalsContact C-N 3.28Å; M247-Q249 PolarHBondContact O-N 2.92Å; M247-L250 PolarHBondContact O-N 3.15Å; M247-G251 PolarHBondContact O-N 3.29Å; M247-G332 WeakPolarHBondContact CE-O 3.38Å; M247-Q333 VanDerWaalsContact CE-CA 3.45Å; M247-Q333 HydrophobicContact CE-CB 4.38Å; M247-Q333 VanDerWaalsContact CE-N 3.26Å; M247-I336 HydrophobicContact CE-CB 4.22Å; M247-I336 HydrophobicContact CE-CD1 3.26Å; M247-I336 HydrophobicContact CE-CG1 3.6Å; M247-I336 HydrophobicContact CG-CD1 4.48Å; M247-I336 HydrophobicContact SD-CD1 3.54Å; M247-I336 VanDerWaalsContact SD-CD1 3.54Å; M247-I336 HydrophobicContact SD-CG1 4.5Å
248	T	77.3	Confident	72.9	Confident	114 Å²	114	87.8 Å²	87.8	70%	0.699	46%	0.457	S	S	*	.	H	α-helix	trans	-63.2	-35.9	177.6	-56.9	0	0	0	0	111.6	D244 Y245 I246 L250	D244-T248 WeakPolarHBondContact O-CB 3.3Å; D244-T248 PolarHBondContact O-N 3.29Å; D244-T248 PolarHBondContact O-OG1 2.86Å; Y245-T248 PolarHBondContact O-N 2.67Å; I246-T248 PolarHBondContact O-N 2.92Å; T248-L250 VanDerWaalsContact C-N 3.31Å; T248-L250 PolarHBondContact O-N 3.41Å
249	Q	72.9	Confident	73.5	Confident	106 Å²	106	81.7 Å²	81.7	50%	0.495	43%	0.429	S	S	.	.	H	α-helix	trans	-74.7	-18.2	177.9	-76.9	-70.5	7.9	0	0	114.4	Y245 I246 M247	Y245-Q249 HydrophobicContact CE1-CG 4.12Å; Y245-Q249 WeakPolarHBondContact O-CG 3.49Å; Y245-Q249 PolarHBondContact O-N 3.43Å; Y245-Q249 VanDerWaalsContact O-N 3.1Å; Y245-Q249 PolarHBondContact OH-NE2 3.2Å; I246-Q249 PolarHBondContact O-N 3.13Å; M247-Q249 VanDerWaalsContact C-N 3.28Å; M247-Q249 PolarHBondContact O-N 2.92Å
250	L	68.5	Low	73.9	Confident	23 Å²	23	73.9 Å²	73.9	12%	0.12	39%	0.393	C	S	.	.	H	α-helix	trans	-96.2	-17.6	-179.6	-67.6	163.6	0	0	0	112.8	I246 M247 T248 F255 L263 I336	I246-L250 HydrophobicContact CG2-CD1 3.69Å; I246-L250 WeakPolarHBondContact O-CD1 3.18Å; I246-L250 VanDerWaalsContact O-CG 3.32Å; I246-L250 WeakPolarHBondContact O-CG 3.32Å; I246-L250 PolarHBondContact O-N 3.41Å; M247-L250 PolarHBondContact O-N 3.15Å; T248-L250 VanDerWaalsContact C-N 3.31Å; T248-L250 PolarHBondContact O-N 3.41Å; L250-F255 HydrophobicContact CD1-CD2 4.08Å; L250-F255 HydrophobicContact CD1-CE2 3.67Å; L250-L263 HydrophobicContact CD1-CD1 4.42Å; L250-L263 HydrophobicContact CD1-CD2 4.26Å; L250-L263 HydrophobicContact CD2-CB 3.95Å; L250-L263 HydrophobicContact CD2-CD1 4.31Å; L250-I336 HydrophobicContact CD1-CD1 4.02Å
251	G	58.3	Low	74.1	Confident	70 Å²	70	75.2 Å²	75.2	72%	0.722	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	17.7	161.1	0	0	0	0	0	116.8	M247	M247-G251 PolarHBondContact O-N 3.29Å
252	S	57.2	Low	74.1	Confident	44 Å²	44	72.6 Å²	72.6	31%	0.308	39%	0.386	S	S	.	.			trans	-139.6	144.1	176	78.7	0	0	0	0	113.2	N254 D259	S252-N254 PolarHBondContact O-N 2.9Å; S252-N254 PolarHBondContact OG-O 2.86Å; S252-D259 PolarHBondContact OG-OD2 2.95Å
253	E	59.6	Low	74	Confident	196 Å²	196	68.2 Å²	68.2	92%	0.916	37%	0.368	S	S	*	.	S	Bend	trans	-70.9	-13.6	168.6	-67.5	-171.4	164.9	0	0	111.9
254	N	61.5	Low	73.9	Confident	133 Å²	133	67 Å²	67	71%	0.711	36%	0.361	S	S	*	.	S	Bend	trans	-127.6	90.4	-179.7	-73.8	-21.1	0	0	0	109.7	S252 T256	S252-N254 PolarHBondContact O-N 2.9Å; S252-N254 PolarHBondContact OG-O 2.86Å; N254-T256 WeakPolarHBondContact O-CG2 3.31Å; N254-T256 PolarHBondContact O-N 2.98Å
255	F	68.6	Low	73.9	Confident	10 Å²	10	67.8 Å²	67.8	4%	0.044	37%	0.369	C	S	.	.			trans	-55.9	122.4	174.2	-173.6	-118.8	0	0	0	110.4	L250 D259 L260 L263 M331 I336 L339	L250-F255 HydrophobicContact CD1-CD2 4.08Å; L250-F255 HydrophobicContact CD1-CE2 3.67Å; F255-D259 HydrophobicContact CD2-CB 3.63Å; F255-D259 HydrophobicContact CE2-CB 3.75Å; F255-L260 HydrophobicContact CE1-CB 3.84Å; F255-L260 HydrophobicContact CE1-CD1 4.09Å; F255-L260 HydrophobicContact CE1-CG 4.4Å; F255-L260 HydrophobicContact CE2-CB 4.32Å; F255-L260 HydrophobicContact CZ-CB 3.52Å; F255-L260 HydrophobicContact CZ-CD1 3.73Å; F255-L260 HydrophobicContact CZ-CG 4.18Å; F255-L263 HydrophobicContact CZ-CD2 4.41Å; F255-M331 HydrophobicContact CB-CB 4.09Å; F255-M331 WeakPolarHBondContact CB-O 3.27Å; F255-M331 HydrophobicContact CD1-CB 3.85Å; F255-M331 HydrophobicContact CD1-CE 3.37Å; F255-M331 HydrophobicContact CD1-CG 4.31Å; F255-M331 WeakPolarHBondContact CD1-O 3.4Å; F255-M331 HydrophobicContact CE1-CE 3.53Å; F255-M331 HydrophobicContact CG-CB 4.42Å; F255-M331 HydrophobicContact CG-CE 4.26Å; F255-M331 WeakPolarHBondContact CG-O 3.4Å; F255-M331 HydrophobicContact CZ-CE 4.5Å; F255-M331 WeakPolarHBondContact O-CB 3.48Å; F255-I336 HydrophobicContact CD1-CD1 4.34Å; F255-I336 HydrophobicContact CD1-CG1 4.03Å; F255-I336 HydrophobicContact CD2-CD1 4.03Å; F255-I336 HydrophobicContact CE1-CD1 4.22Å; F255-I336 HydrophobicContact CE1-CG1 3.86Å; F255-I336 HydrophobicContact CE2-CD1 3.92Å; F255-I336 HydrophobicContact CE2-CG1 4.46Å; F255-I336 HydrophobicContact CG-CD1 4.26Å; F255-I336 HydrophobicContact CG-CG1 4.41Å; F255-I336 HydrophobicContact CZ-CD1 3.99Å; F255-I336 HydrophobicContact CZ-CG1 4.07Å; F255-L339 HydrophobicContact CE1-CD1 4.35Å
256	T	76.9	Confident	73.7	Confident	62 Å²	62	68 Å²	68	38%	0.38	37%	0.373	S	S	.	.			trans	-106.8	169.4	-179.3	65.7	0	0	0	0	112.1	N254 H258 D259 L260 M331	N254-T256 WeakPolarHBondContact O-CG2 3.31Å; N254-T256 PolarHBondContact O-N 2.98Å; T256-H258 PolarHBondContact O-N 3.19Å; T256-D259 WeakPolarHBondContact CB-OD2 3.31Å; T256-D259 PolarHBondContact N-OD2 2.82Å; T256-D259 PolarHBondContact O-N 3.19Å; T256-D259 VanDerWaalsContact O-N 3.13Å; T256-D259 PolarHBondContact OG1-N 2.99Å; T256-D259 PolarHBondContact OG1-OD2 3.43Å; T256-L260 PolarHBondContact O-N 2.99Å; T256-M331 VanDerWaalsContact C-CE 3.42Å; T256-M331 VanDerWaalsContact O-CE 3.28Å; T256-M331 WeakPolarHBondContact O-CE 3.36Å
257	V	77	Confident	73.5	Confident	48 Å²	48	68.9 Å²	68.9	29%	0.291	38%	0.377	S	S	.	.	H	α-helix	trans	-56	-40.4	172.9	-172.6	0	0	0	0	111	D259 L260 E261 A315 I319	V257-D259 PolarHBondContact O-N 3.17Å; V257-L260 WeakPolarHBondContact O-CB 3.25Å; V257-L260 PolarHBondContact O-N 3.45Å; V257-E261 WeakPolarHBondContact O-CG 3.45Å; V257-E261 PolarHBondContact O-N 2.96Å; V257-A315 HydrophobicContact CG1-CB 4.25Å; V257-I319 HydrophobicContact CB-CD1 3.98Å; V257-I319 HydrophobicContact CG1-CD1 3.79Å; V257-I319 HydrophobicContact CG2-CD1 3.54Å
258	H	76.3	Confident	73.3	Confident	118 Å²	118	71.5 Å²	71.5	55%	0.546	39%	0.392	S	S	.	.	H	α-helix	trans	-65.4	-38.1	177.5	-171.7	58.5	0	0	0	112.4	T256 L260 E261 V262	T256-H258 PolarHBondContact O-N 3.19Å; H258-L260 VanDerWaalsContact C-N 3.28Å; H258-L260 PolarHBondContact O-N 3.4Å; H258-E261 IonicContact ND1-OE2 3.47Å; H258-E261 PolarHBondContact ND1-OE2 2.81Å; H258-E261 WeakPolarHBondContact O-CB 3.36Å; H258-E261 PolarHBondContact O-N 3.46Å; H258-V262 WeakPolarHBondContact O-CG2 3.2Å; H258-V262 PolarHBondContact O-N 2.82Å
259	D	77	Confident	73.2	Confident	27 Å²	27	66.3 Å²	66.3	14%	0.144	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-33.5	175.2	-56.8	-42.1	0	0	0	111.5	S252 F255 T256 V257 L263	S252-D259 PolarHBondContact OG-OD2 2.95Å; F255-D259 HydrophobicContact CD2-CB 3.63Å; F255-D259 HydrophobicContact CE2-CB 3.75Å; T256-D259 WeakPolarHBondContact CB-OD2 3.31Å; T256-D259 PolarHBondContact N-OD2 2.82Å; T256-D259 PolarHBondContact O-N 3.19Å; T256-D259 VanDerWaalsContact O-N 3.13Å; T256-D259 PolarHBondContact OG1-N 2.99Å; T256-D259 PolarHBondContact OG1-OD2 3.43Å; V257-D259 PolarHBondContact O-N 3.17Å; D259-L263 WeakPolarHBondContact O-CB 3.45Å; D259-L263 PolarHBondContact O-N 3.46Å
260	L	81.9	Confident	72.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-68	-41.9	172.4	-179.7	60.5	0	0	0	111.7	F255 T256 V257 H258 L263 M264 A315 I319 M331 L339	F255-L260 HydrophobicContact CE1-CB 3.84Å; F255-L260 HydrophobicContact CE1-CD1 4.09Å; F255-L260 HydrophobicContact CE1-CG 4.4Å; F255-L260 HydrophobicContact CE2-CB 4.32Å; F255-L260 HydrophobicContact CZ-CB 3.52Å; F255-L260 HydrophobicContact CZ-CD1 3.73Å; F255-L260 HydrophobicContact CZ-CG 4.18Å; T256-L260 PolarHBondContact O-N 2.99Å; V257-L260 WeakPolarHBondContact O-CB 3.25Å; V257-L260 PolarHBondContact O-N 3.45Å; H258-L260 VanDerWaalsContact C-N 3.28Å; H258-L260 PolarHBondContact O-N 3.4Å; L260-L263 PolarHBondContact O-N 3.35Å; L260-M264 HydrophobicContact CD1-CG 4.16Å; L260-M264 HydrophobicContact CD1-SD 4.23Å; L260-M264 HydrophobicContact CG-CG 4.38Å; L260-M264 HydrophobicContact CG-SD 3.98Å; L260-M264 WeakPolarHBondContact O-CB 3.25Å; L260-M264 WeakPolarHBondContact O-CG 3.1Å; L260-M264 PolarHBondContact O-N 3.47Å; L260-A315 HydrophobicContact CD2-CB 4.1Å; L260-A315 HydrophobicContact CG-CB 4.13Å; L260-I319 HydrophobicContact CD2-CD1 3.95Å; L260-I319 HydrophobicContact CD2-CG1 3.83Å; L260-M331 HydrophobicContact CB-CE 4.19Å; L260-M331 HydrophobicContact CD2-CE 4.43Å; L260-L339 HydrophobicContact CD1-CD1 4.16Å; L260-L339 HydrophobicContact CD2-CD1 4.08Å
261	E	79.2	Confident	72	Confident	79 Å²	79	64.5 Å²	64.5	37%	0.369	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-48	172.7	-71.4	172.6	165.4	0	0	110.9	V257 H258 L263 M264 T265 A315	V257-E261 WeakPolarHBondContact O-CG 3.45Å; V257-E261 PolarHBondContact O-N 2.96Å; H258-E261 IonicContact ND1-OE2 3.47Å; H258-E261 PolarHBondContact ND1-OE2 2.81Å; H258-E261 WeakPolarHBondContact O-CB 3.36Å; H258-E261 PolarHBondContact O-N 3.46Å; E261-L263 VanDerWaalsContact C-N 3.3Å; E261-L263 PolarHBondContact O-N 3.41Å; E261-M264 PolarHBondContact O-N 3Å; E261-M264 VanDerWaalsContact O-N 3.15Å; E261-T265 PolarHBondContact O-N 3.29Å; E261-T265 PolarHBondContact O-OG1 3.03Å; E261-A315 HydrophobicContact CG-CB 3.52Å
262	V	79.3	Confident	71.4	Confident	55 Å²	55	67 Å²	67	33%	0.333	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-40.2	177	171.5	0	0	0	0	111.6	H258 K266	H258-V262 WeakPolarHBondContact O-CG2 3.2Å; H258-V262 PolarHBondContact O-N 2.82Å; V262-K266 WeakPolarHBondContact O-CB 3.5Å; V262-K266 WeakPolarHBondContact O-CG 3.45Å; V262-K266 PolarHBondContact O-N 3.46Å
263	L	81.1	Confident	70.7	Confident	22 Å²	22	71.5 Å²	71.5	12%	0.115	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-46.3	174.7	-178.3	63.3	0	0	0	111.3	I246 L250 F255 D259 L260 E261 K266 L267 L343	I246-L263 HydrophobicContact CG2-CD2 4.48Å; L250-L263 HydrophobicContact CD1-CD1 4.42Å; L250-L263 HydrophobicContact CD1-CD2 4.26Å; L250-L263 HydrophobicContact CD2-CB 3.95Å; L250-L263 HydrophobicContact CD2-CD1 4.31Å; F255-L263 HydrophobicContact CZ-CD2 4.41Å; D259-L263 WeakPolarHBondContact O-CB 3.45Å; D259-L263 PolarHBondContact O-N 3.46Å; L260-L263 PolarHBondContact O-N 3.35Å; E261-L263 VanDerWaalsContact C-N 3.3Å; E261-L263 PolarHBondContact O-N 3.41Å; L263-K266 PolarHBondContact O-N 3.42Å; L263-L267 HydrophobicContact CD1-CD1 4.19Å; L263-L267 HydrophobicContact CD1-CG 4.47Å; L263-L267 HydrophobicContact CG-CD1 4.02Å; L263-L267 WeakPolarHBondContact O-CB 3.38Å; L263-L267 VanDerWaalsContact O-CG 3.27Å; L263-L267 WeakPolarHBondContact O-CG 3.31Å; L263-L267 PolarHBondContact O-N 3.3Å; L263-L343 HydrophobicContact CD2-CD1 4.15Å
264	M	81.3	Confident	69.5	Low	4 Å²	4	68.2 Å²	68.2	2%	0.02	37%	0.366	C	S	.	.	H	α-helix	trans	-61.8	-45.1	178.3	-72.3	176.9	70.9	0	0	110.6	L260 E261 K266 L267 N268 I269 F313 A315 L318 L343	L260-M264 HydrophobicContact CD1-CG 4.16Å; L260-M264 HydrophobicContact CD1-SD 4.23Å; L260-M264 HydrophobicContact CG-CG 4.38Å; L260-M264 HydrophobicContact CG-SD 3.98Å; L260-M264 WeakPolarHBondContact O-CB 3.25Å; L260-M264 WeakPolarHBondContact O-CG 3.1Å; L260-M264 PolarHBondContact O-N 3.47Å; E261-M264 PolarHBondContact O-N 3Å; E261-M264 VanDerWaalsContact O-N 3.15Å; M264-K266 PolarHBondContact O-N 3.27Å; M264-L267 CarbonylContact O-C 3.51Å; M264-L267 WeakPolarHBondContact O-CA 3.27Å; M264-L267 PolarHBondContact O-N 2.92Å; M264-N268 PolarHBondContact O-N 3.06Å; M264-I269 CarbonylContact C-O 3.59Å; M264-I269 HydrophobicContact CB-CB 4.3Å; M264-I269 VanDerWaalsContact CB-O 3.28Å; M264-I269 WeakPolarHBondContact CB-O 3.34Å; M264-I269 HydrophobicContact CE-CG2 3.85Å; M264-I269 PolarHBondContact O-N 3.32Å; M264-F313 WeakPolarHBondContact CE-O 3.48Å; M264-A315 HydrophobicContact SD-CB 3.84Å; M264-L318 HydrophobicContact CE-CD1 3.78Å; M264-L318 HydrophobicContact SD-CD1 3.8Å; M264-L343 HydrophobicContact CG-CD2 3.88Å
265	T	79	Confident	68.3	Low	95 Å²	95	69.4 Å²	69.4	58%	0.583	37%	0.367	S	S	*	.	H	α-helix	trans	-60.8	-42.5	174	-52.3	0	0	0	0	112.1	E261 L267 N268	E261-T265 PolarHBondContact O-N 3.29Å; E261-T265 PolarHBondContact O-OG1 3.03Å; T265-L267 PolarHBondContact O-N 3.17Å; T265-N268 WeakPolarHBondContact O-CA 3.41Å; T265-N268 PolarHBondContact O-N 3.43Å
266	K	76.7	Confident	66.6	Low	137 Å²	137	76 Å²	76	60%	0.596	40%	0.403	S	S	*	.	H	α-helix	trans	-62.8	-31	174.3	-80.7	-177.3	178.9	178.8	0	112.8	V262 L263 M264	V262-K266 WeakPolarHBondContact O-CB 3.5Å; V262-K266 WeakPolarHBondContact O-CG 3.45Å; V262-K266 PolarHBondContact O-N 3.46Å; L263-K266 PolarHBondContact O-N 3.42Å; M264-K266 PolarHBondContact O-N 3.27Å
267	L	77.4	Confident	64.9	Low	70 Å²	70	80.6 Å²	80.6	37%	0.366	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.6	174.2	-64.6	171.7	0	0	0	112.7	L263 M264 T265 I269 I347	L263-L267 HydrophobicContact CD1-CD1 4.19Å; L263-L267 HydrophobicContact CD1-CG 4.47Å; L263-L267 HydrophobicContact CG-CD1 4.02Å; L263-L267 WeakPolarHBondContact O-CB 3.38Å; L263-L267 VanDerWaalsContact O-CG 3.27Å; L263-L267 WeakPolarHBondContact O-CG 3.31Å; L263-L267 PolarHBondContact O-N 3.3Å; M264-L267 CarbonylContact O-C 3.51Å; M264-L267 WeakPolarHBondContact O-CA 3.27Å; M264-L267 PolarHBondContact O-N 2.92Å; T265-L267 PolarHBondContact O-N 3.17Å; L267-I269 VanDerWaalsContact C-N 3.28Å; L267-I269 HydrophobicContact CB-CD1 3.74Å; L267-I269 HydrophobicContact CB-CG1 3.92Å; L267-I269 HydrophobicContact CD1-CD1 4.28Å; L267-I269 WeakPolarHBondContact O-CG1 3.22Å; L267-I269 PolarHBondContact O-N 3.11Å; L267-I347 HydrophobicContact CD2-CD1 4.37Å
268	N	72.3	Confident	62.9	Low	88 Å²	88	84.7 Å²	84.7	47%	0.471	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	34.3	-176.2	-154.5	40.2	0	0	0	113.6	M264 T265 T353	M264-N268 PolarHBondContact O-N 3.06Å; T265-N268 WeakPolarHBondContact O-CA 3.41Å; T265-N268 PolarHBondContact O-N 3.43Å; N268-T353 HydrophobicContact CB-CG2 4.49Å; N268-T353 WeakPolarHBondContact O-CG2 3.38Å
269	I	75	Confident	61	Low	4 Å²	4	86.3 Å²	86.3	2%	0.021	45%	0.448	C	S	.	.			trans	-114.5	131	179.2	-50.6	170.9	0	0	0	107.6	M264 L267 L343 Q346 I347 C352	M264-I269 CarbonylContact C-O 3.59Å; M264-I269 HydrophobicContact CB-CB 4.3Å; M264-I269 VanDerWaalsContact CB-O 3.28Å; M264-I269 WeakPolarHBondContact CB-O 3.34Å; M264-I269 HydrophobicContact CE-CG2 3.85Å; M264-I269 PolarHBondContact O-N 3.32Å; L267-I269 VanDerWaalsContact C-N 3.28Å; L267-I269 HydrophobicContact CB-CD1 3.74Å; L267-I269 HydrophobicContact CB-CG1 3.92Å; L267-I269 HydrophobicContact CD1-CD1 4.28Å; L267-I269 WeakPolarHBondContact O-CG1 3.22Å; L267-I269 PolarHBondContact O-N 3.11Å; I269-L343 HydrophobicContact CD1-CD2 4.46Å; I269-Q346 HydrophobicContact CD1-CB 4.26Å; I269-Q346 HydrophobicContact CG2-CB 3.8Å; I269-Q346 HydrophobicContact CG2-CG 4.41Å; I269-I347 HydrophobicContact CD1-CD1 4.05Å; I269-I347 HydrophobicContact CD1-CG1 3.44Å; I269-I347 VanDerWaalsContact CD1-CG1 3.44Å; I269-I347 HydrophobicContact CG1-CG1 4.07Å; I269-C352 HydrophobicContact CB-CB 4.23Å; I269-C352 HydrophobicContact CG2-CB 3.52Å
270	G	61.9	Low	59.3	Low	25 Å²	25	91.6 Å²	91.6	26%	0.258	48%	0.476	S	S	.	.	S	Bend	trans	123.7	153.9	173.3	0	0	0	0	0	112	C352	G270-C352 PolarHBondContact N-O 3.5Å
271	S	53.7	Low	57.2	Low	66 Å²	66	100.9 Å²	100.9	46%	0.462	52%	0.519	S	S	.	.			trans	-80.4	120.3	176.2	-176.5	0	0	0	0	109.2	H273	S271-H273 PolarHBondContact O-N 2.84Å
272	D	46	Very low	55.5	Low	122 Å²	122	104 Å²	104	65%	0.652	54%	0.538	S	S	*	.			trans	-61.7	102.7	167.9	-122.4	-12	0	0	0	107.8	D274	D272-D274 VanDerWaalsContact C-N 3.35Å; D272-D274 PolarHBondContact O-N 2.82Å
273	H	42.8	Very low	53.5	Low	139 Å²	139	110.3 Å²	110.3	64%	0.644	56%	0.564	S	S	*	*			trans	-86.6	88.6	162.9	-80.2	-57.3	0	0	0	106.5	S271 H275	S271-H273 PolarHBondContact O-N 2.84Å; H273-H275 PolarHBondContact O-N 3.05Å
274	D	34.4	Very low	51.7	Low	128 Å²	128	115.9 Å²	115.9	68%	0.684	59%	0.593	S	S	*	*			trans	-54.8	104.1	161.8	-83.6	-39.1	0	0	0	107.9	D272 D276	D272-D274 VanDerWaalsContact C-N 3.35Å; D272-D274 PolarHBondContact O-N 2.82Å; D274-D276 PolarHBondContact O-N 3.06Å
275	H	36.9	Very low	49.7	Very low	157 Å²	157	124.4 Å²	124.4	73%	0.727	63%	0.633	S	S	*	*			trans	-74.7	75.3	165.9	-74.8	-62.4	0	0	0	108.7	H273 H277	H273-H275 PolarHBondContact O-N 3.05Å; H275-H277 VanDerWaalsContact C-N 3.32Å; H275-H277 PolarHBondContact O-N 3.24Å
276	D	31.7	Very low	47.7	Very low	150 Å²	150	126.1 Å²	126.1	80%	0.802	64%	0.638	S	S	*	*			trans	-73.2	93	161	-86.5	-21.9	0	0	0	108.3	D274 D278	D274-D276 PolarHBondContact O-N 3.06Å; D276-D278 PolarHBondContact O-N 2.96Å
277	H	42.3	Very low	45.9	Very low	157 Å²	157	126.9 Å²	126.9	73%	0.727	64%	0.644	S	S	*	*			trans	-67	114.6	156.3	-70.9	-71.5	0	0	0	108.2	H275	H275-H277 VanDerWaalsContact C-N 3.32Å; H275-H277 PolarHBondContact O-N 3.24Å
278	D	33.8	Very low	43.8	Very low	135 Å²	135	129 Å²	129	72%	0.722	66%	0.656	S	S	*	*			trans	-176.5	132.8	131.5	-95.2	-24.8	0	0	0	115.5	D276	D276-D278 PolarHBondContact O-N 2.96Å
279	H	37.6	Very low	42.2	Very low	152 Å²	152	132.7 Å²	132.7	70%	0.704	67%	0.67	S	S	*	*			trans	77.3	105.7	154	-56.3	-45.9	0	0	0	122.3
280	D	41.4	Very low	40.4	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	71%	0.707	S	S	*	*				33.5	114.4	125.9	-65.4	-34	0	0	0	118
281	H	37.4	Very low	39	Very low	197 Å²	197	147.1 Å²	147.1	91%	0.912	74%	0.735	S	S	*	*				-162.9	119.8	119.5	-86.8	-52.1	0	0	0	110.6
282	D	42.8	Very low	38.1	Very low	144 Å²	144	150.6 Å²	150.6	77%	0.77	75%	0.749	S	S	*	*			trans	-51.8	138.2	158.8	-70	-51.7	0	0	0	110.6
283	H	38.7	Very low	37.5	Very low	188 Å²	188	150.9 Å²	150.9	87%	0.87	76%	0.755	S	S	*	*				-176.6	129.6	122.1	-86.2	-49.8	0	0	0	111.7
284	D	43.2	Very low	37.1	Very low	138 Å²	138	151.2 Å²	151.2	74%	0.738	76%	0.762	S	S	*	*			trans	-51.2	147.5	167.7	-62.6	-61.8	0	0	0	113.5
285	H	38.4	Very low	37	Very low	183 Å²	183	150.9 Å²	150.9	85%	0.847	76%	0.76	S	S	*	*				176.5	146.5	112.6	-87.4	-54.4	0	0	0	113.6
286	D	36.4	Very low	37	Very low	131 Å²	131	150 Å²	150	70%	0.701	76%	0.756	S	S	*	*			trans	-72.1	169.6	-177.8	-61.5	-71.8	0	0	0	116.2
287	H	39.4	Very low	37	Very low	154 Å²	154	150.8 Å²	150.8	71%	0.713	76%	0.755	S	S	*	*			trans	89.8	108.1	144.7	-70.5	-58.3	0	0	0	121.2
288	D	34.6	Very low	36.6	Very low	115 Å²	115	153.6 Å²	153.6	62%	0.615	76%	0.759	S	S	*	*				71	132.5	116	-83.9	-43.5	0	0	0	123.6
289	H	36.8	Very low	36.5	Very low	165 Å²	165	155.5 Å²	155.5	76%	0.764	76%	0.76	S	S	*	*			trans	83.1	111.7	148	-60.6	-41.3	0	0	0	122.1
290	N	37.3	Very low	36.1	Very low	152 Å²	152	155.5 Å²	155.5	81%	0.813	76%	0.761	S	S	*	*			trans	-15.6	132.6	142.8	-67.7	-21	0	0	0	117
291	E	32.8	Very low	36	Very low	179 Å²	179	154.9 Å²	154.9	84%	0.836	77%	0.767	S	S	*	*				-179.6	125.8	109.9	-101.8	179.9	174	0	0	111.9
292	D	35.1	Very low	35.6	Very low	140 Å²	140	148.5 Å²	148.5	75%	0.749	75%	0.754	S	S	*	*			trans	25.1	128.6	146.9	-62.2	-37.2	0	0	0	122.7
293	T	32.8	Very low	35.1	Very low	127 Å²	127	147.7 Å²	147.7	78%	0.779	76%	0.757	S	S	*	*				178.6	122.4	102.9	28.1	0	0	0	0	113.5
294	D	34.8	Very low	35.2	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	76%	0.759	S	S	*	*			trans	40.5	141	137.9	-58.6	-41.4	0	0	0	121.1
295	D	31.9	Very low	34.8	Very low	121 Å²	121	147 Å²	147	65%	0.647	76%	0.757	S	S	*	*			cis	-170.5	160.3	36.1	-152.9	-21.8	0	0	0	112.2
296	H	38.3	Very low	35.1	Very low	139 Å²	139	143.4 Å²	143.4	64%	0.644	75%	0.745	S	S	*	*			trans	107.7	89.3	149.7	-60.1	-34.2	0	0	0	121.2
297	Q	31.3	Very low	35.9	Very low	166 Å²	166	141.4 Å²	141.4	78%	0.776	74%	0.741	S	S	*	*				108.3	80.6	114.6	-76.5	-178.5	-0.3	0	0	120.2
298	R	34.5	Very low	36.9	Very low	215 Å²	215	142.1 Å²	142.1	81%	0.811	74%	0.737	S	S	*	*				57.1	111.8	106.9	-154.9	-176.3	-168.5	-175.9	4.6	118.8
299	K	31.1	Very low	38.1	Very low	175 Å²	175	141.7 Å²	141.7	76%	0.761	73%	0.732	S	S	*	*				-175.9	119.5	104.9	-103	176.5	-178.6	174.7	0	114.5
300	Q	30	Very low	39.3	Very low	153 Å²	153	140.9 Å²	140.9	72%	0.715	73%	0.728	S	S	*	*			trans	55.6	105.6	132.3	-75.7	172.3	-20.7	0	0	120.5	G302	Q300-G302 PolarHBondContact O-N 3.45Å
301	S	39.1	Very low	41.2	Very low	124 Å²	124	137 Å²	137	87%	0.867	70%	0.704	S	S	*	*			trans	-15.4	111.1	142.9	54.2	0	0	0	0	116.9
302	G	28.2	Very low	43.4	Very low	62 Å²	62	130.2 Å²	130.2	64%	0.639	68%	0.676	S	S	*	*			trans	-113.1	167.7	152.9	0	0	0	0	0	110.1	Q300	Q300-G302 PolarHBondContact O-N 3.45Å
303	P	33.3	Very low	45.7	Very low	127 Å²	127	125 Å²	125	83%	0.825	65%	0.647	S	S	*	*			trans	-61.8	141.7	-171.4	29.2	-33.2	0	0	0	110.2	S305	P303-S305 VanDerWaalsContact C-N 3.32Å; P303-S305 PolarHBondContact O-N 2.64Å
304	K	39.5	Very low	48.1	Very low	212 Å²	212	121.3 Å²	121.3	92%	0.922	63%	0.625	S	S	*	*			trans	-55.1	94.6	174.1	-71.6	-179.7	176.2	-177.7	0	109.3
305	S	35.9	Very low	50.4	Low	99 Å²	99	114.6 Å²	114.6	69%	0.692	59%	0.59	S	S	*	*			trans	-65.5	140.2	159.7	-173.4	0	0	0	0	107.3	P303 S307	P303-S305 VanDerWaalsContact C-N 3.32Å; P303-S305 PolarHBondContact O-N 2.64Å; S305-S307 PolarHBondContact O-N 2.79Å
306	N	43.6	Very low	52.7	Low	109 Å²	109	112.8 Å²	112.8	58%	0.583	58%	0.58	S	S	*	*			trans	-56.3	95.6	-171.5	-76.8	-22.1	0	0	0	111.9	W308 Q309	N306-W308 PolarHBondContact O-N 3.27Å; N306-Q309 HydrophobicContact CB-CG 4.33Å; N306-Q309 PolarHBondContact O-N 3.09Å
307	S	53.9	Low	54.8	Low	88 Å²	88	109.4 Å²	109.4	62%	0.615	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-9	-175	72	0	0	0	0	114.5	S305	S305-S307 PolarHBondContact O-N 2.79Å
308	W	61.1	Low	57.3	Low	170 Å²	170	101.6 Å²	101.6	64%	0.644	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.8	-179.7	-56.1	108	0	0	0	113.6	N306 H310 H311 F313	N306-W308 PolarHBondContact O-N 3.27Å; W308-H310 PolarHBondContact O-N 2.97Å; W308-H311 HydrophobicContact CE3-CB 4.45Å; W308-H311 PolarHBondContact O-N 3.26Å; W308-F313 HydrophobicContact CE3-CE1 4.43Å; W308-F313 HydrophobicContact CE3-CZ 4.11Å; W308-F313 HydrophobicContact CZ3-CE1 4.49Å
309	Q	59.3	Low	59.5	Low	106 Å²	106	91.6 Å²	91.6	50%	0.495	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.9	179.5	-69.8	176.1	-14.7	0	0	112.7	N306 S349 T351	N306-Q309 HydrophobicContact CB-CG 4.33Å; N306-Q309 PolarHBondContact O-N 3.09Å; Q309-S349 WeakPolarHBondContact O-CB 3.21Å; Q309-T351 PolarHBondContact O-OG1 3.15Å
310	H	62.1	Low	61.9	Low	147 Å²	147	89.8 Å²	89.8	68%	0.681	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	31.4	178.9	-57.5	-63.5	0	0	0	111.7	W308 T351	W308-H310 PolarHBondContact O-N 2.97Å; H310-T351 VanDerWaalsContact CA-CG2 3.49Å; H310-T351 HydrophobicContact CB-CG2 4.23Å; H310-T351 WeakPolarHBondContact O-CG2 3.44Å
311	H	75.9	Confident	64.4	Low	70 Å²	70	86.9 Å²	86.9	32%	0.324	47%	0.473	S	S	.	.			trans	-100.8	130.4	172.6	-163.8	70.2	0	0	0	111.3	W308 F313	W308-H311 HydrophobicContact CE3-CB 4.45Å; W308-H311 PolarHBondContact O-N 3.26Å; H311-F313 HydrophobicContact CB-CE2 4.34Å; H311-F313 HydrophobicContact CB-CZ 4.28Å; H311-F313 AromaticContact CD2-CD1 3.62Å; H311-F313 AromaticContact CD2-CE1 3.44Å; H311-F313 VanDerWaalsContact CD2-CE1 3.44Å; H311-F313 WeakPolarHBondContact CD2-CE1 3.34Å; H311-F313 AromaticContact CD2-CZ 3.71Å
312	C	79.4	Confident	66.4	Low	37 Å²	37	84.7 Å²	84.7	25%	0.25	45%	0.447	C	S	.	.			trans	-94.7	109.9	173	-177.5	0	0	0	0	110.4	T351 C352	C312-T351 HydrophobicContact CB-CG2 4.42Å; C312-C352 WeakPolarHBondContact CA-SG 3.49Å; C312-C352 HydrophobicContact CB-CB 3.98Å; C312-C352 WeakPolarHBondContact CB-SG 3.47Å; C312-C352 WeakPolarHBondContact SG-CA 3.32Å; C312-C352 WeakPolarHBondContact SG-CB 3.5Å; C312-C352 CovalentContact SG-SG 2.03Å; C312-C352 PolarHBondContact SG-SG 3.19Å
313	F	83.9	Confident	68.8	Low	30 Å²	30	89.7 Å²	89.7	13%	0.132	45%	0.451	C	S	.	.			trans	-82.4	136.7	174.7	-56	-84.8	0	0	0	111.6	M264 W308 H311 E317 L318 I321 Q346	M264-F313 WeakPolarHBondContact CE-O 3.48Å; W308-F313 HydrophobicContact CE3-CE1 4.43Å; W308-F313 HydrophobicContact CE3-CZ 4.11Å; W308-F313 HydrophobicContact CZ3-CE1 4.49Å; H311-F313 HydrophobicContact CB-CE2 4.34Å; H311-F313 HydrophobicContact CB-CZ 4.28Å; H311-F313 AromaticContact CD2-CD1 3.62Å; H311-F313 AromaticContact CD2-CE1 3.44Å; H311-F313 VanDerWaalsContact CD2-CE1 3.44Å; H311-F313 WeakPolarHBondContact CD2-CE1 3.34Å; H311-F313 AromaticContact CD2-CZ 3.71Å; F313-E317 WeakPolarHBondContact CA-OE2 3.39Å; F313-E317 HydrophobicContact CB-CB 4.28Å; F313-E317 HydrophobicContact CD1-CB 4.32Å; F313-L318 HydrophobicContact CB-CD2 3.82Å; F313-L318 HydrophobicContact CB-CG 4.02Å; F313-L318 HydrophobicContact CG-CD2 4.31Å; F313-I321 HydrophobicContact CD1-CD1 3.66Å; F313-I321 HydrophobicContact CE1-CD1 3.75Å; F313-I321 HydrophobicContact CG-CD1 4.31Å; F313-I321 HydrophobicContact CZ-CD1 4.5Å; F313-Q346 PolarHBondContact O-NE2 2.92Å
314	T	83.5	Confident	70.7	Confident	50 Å²	50	84.1 Å²	84.1	31%	0.307	41%	0.414	S	S	.	.			trans	-77.7	165.2	170	58.5	0	0	0	0	111.8	D316 E317 L318	T314-D316 VanDerWaalsContact C-N 3.28Å; T314-D316 PolarHBondContact O-N 2.98Å; T314-E317 PolarHBondContact N-OE2 3.18Å; T314-E317 PolarHBondContact O-N 3.16Å; T314-E317 VanDerWaalsContact O-N 3.16Å; T314-E317 VanDerWaalsContact OG1-CD 3.28Å; T314-E317 VanDerWaalsContact OG1-CG 3.24Å; T314-E317 WeakPolarHBondContact OG1-CG 3.34Å; T314-E317 PolarHBondContact OG1-N 2.93Å; T314-E317 PolarHBondContact OG1-OE2 2.97Å; T314-L318 WeakPolarHBondContact O-CG 3.36Å; T314-L318 PolarHBondContact O-N 2.85Å
315	A	81.9	Confident	71.6	Confident	7 Å²	7	79.6 Å²	79.6	6%	0.058	40%	0.404	C	S	.	.	H	α-helix	trans	-56.8	-42.1	177.4	0	0	0	0	0	112	V257 L260 E261 M264 E317 L318 I319	V257-A315 HydrophobicContact CG1-CB 4.25Å; L260-A315 HydrophobicContact CD2-CB 4.1Å; L260-A315 HydrophobicContact CG-CB 4.13Å; E261-A315 HydrophobicContact CG-CB 3.52Å; M264-A315 HydrophobicContact SD-CB 3.84Å; A315-E317 PolarHBondContact O-N 2.94Å; A315-L318 PolarHBondContact O-N 3.37Å; A315-I319 VanDerWaalsContact O-CG1 3.27Å; A315-I319 WeakPolarHBondContact O-CG1 3.44Å; A315-I319 PolarHBondContact O-N 3.37Å
316	D	80.6	Confident	72.5	Confident	82 Å²	82	77 Å²	77	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-39.9	176.4	-74.8	-56.9	0	0	0	112.9	T314 I319 Q320	T314-D316 VanDerWaalsContact C-N 3.28Å; T314-D316 PolarHBondContact O-N 2.98Å; D316-I319 PolarHBondContact O-N 3.49Å; D316-Q320 VanDerWaalsContact O-CG 3.3Å; D316-Q320 WeakPolarHBondContact O-CG 3.5Å; D316-Q320 PolarHBondContact O-N 2.73Å
317	E	82.1	Confident	72.9	Confident	69 Å²	69	81.8 Å²	81.8	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-68.1	-41.7	178.5	-73.6	168.7	142.4	0	0	111.6	F313 T314 A315 I319 Q320 I321	F313-E317 WeakPolarHBondContact CA-OE2 3.39Å; F313-E317 HydrophobicContact CB-CB 4.28Å; F313-E317 HydrophobicContact CD1-CB 4.32Å; T314-E317 PolarHBondContact N-OE2 3.18Å; T314-E317 PolarHBondContact O-N 3.16Å; T314-E317 VanDerWaalsContact O-N 3.16Å; T314-E317 VanDerWaalsContact OG1-CD 3.28Å; T314-E317 VanDerWaalsContact OG1-CG 3.24Å; T314-E317 WeakPolarHBondContact OG1-CG 3.34Å; T314-E317 PolarHBondContact OG1-N 2.93Å; T314-E317 PolarHBondContact OG1-OE2 2.97Å; A315-E317 PolarHBondContact O-N 2.94Å; E317-I319 VanDerWaalsContact C-N 3.31Å; E317-I319 PolarHBondContact O-N 3.42Å; E317-Q320 PolarHBondContact O-N 3.15Å; E317-I321 WeakPolarHBondContact O-CB 3Å; E317-I321 WeakPolarHBondContact O-CD1 3.49Å; E317-I321 WeakPolarHBondContact O-CG1 3.21Å; E317-I321 PolarHBondContact O-N 3.38Å
318	L	83.7	Confident	72.7	Confident	2 Å²	2	85.3 Å²	85.3	1%	0.01	42%	0.424	C	S	.	.	H	α-helix	trans	-61.3	-41.8	175	-69.4	179.8	0	0	0	111.5	M264 F313 T314 A315 Q320 I321 Y322 L339 A342 L343	M264-L318 HydrophobicContact CE-CD1 3.78Å; M264-L318 HydrophobicContact SD-CD1 3.8Å; F313-L318 HydrophobicContact CB-CD2 3.82Å; F313-L318 HydrophobicContact CB-CG 4.02Å; F313-L318 HydrophobicContact CG-CD2 4.31Å; T314-L318 WeakPolarHBondContact O-CG 3.36Å; T314-L318 PolarHBondContact O-N 2.85Å; A315-L318 PolarHBondContact O-N 3.37Å; L318-Q320 VanDerWaalsContact C-N 3.31Å; L318-Q320 PolarHBondContact O-N 3.1Å; L318-I321 PolarHBondContact O-N 3.29Å; L318-Y322 WeakPolarHBondContact O-CD2 3.26Å; L318-Y322 PolarHBondContact O-N 2.9Å; L318-L339 HydrophobicContact CB-CD2 4.11Å; L318-A342 HydrophobicContact CD2-CB 3.92Å; L318-L343 HydrophobicContact CD1-CD2 4.26Å
319	I	81.1	Confident	72.2	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.026	41%	0.41	C	S	.	.	H	α-helix	trans	-63.8	-38.6	177	-72.9	171.5	0	0	0	111.5	V257 L260 A315 D316 E317 K323 L324 T325 M331	V257-I319 HydrophobicContact CB-CD1 3.98Å; V257-I319 HydrophobicContact CG1-CD1 3.79Å; V257-I319 HydrophobicContact CG2-CD1 3.54Å; L260-I319 HydrophobicContact CD2-CD1 3.95Å; L260-I319 HydrophobicContact CD2-CG1 3.83Å; A315-I319 VanDerWaalsContact O-CG1 3.27Å; A315-I319 WeakPolarHBondContact O-CG1 3.44Å; A315-I319 PolarHBondContact O-N 3.37Å; D316-I319 PolarHBondContact O-N 3.49Å; E317-I319 VanDerWaalsContact C-N 3.31Å; E317-I319 PolarHBondContact O-N 3.42Å; I319-K323 WeakPolarHBondContact O-CA 3.17Å; I319-K323 PolarHBondContact O-N 2.92Å; I319-L324 HydrophobicContact CG2-CB 4.28Å; I319-L324 PolarHBondContact O-N 3.4Å; I319-T325 HydrophobicContact CG2-CG2 3.51Å; I319-M331 HydrophobicContact CD1-CE 3.77Å; I319-M331 HydrophobicContact CD1-SD 3.86Å; I319-M331 HydrophobicContact CG1-CE 4.31Å; I319-M331 HydrophobicContact CG1-SD 4.36Å
320	Q	82	Confident	72	Confident	136 Å²	136	77.5 Å²	77.5	64%	0.636	42%	0.417	S	S	*	.	H	α-helix	trans	-69.1	-40.7	175.8	-73.2	176.5	48	0	0	112.4	D316 E317 L318 K323	D316-Q320 VanDerWaalsContact O-CG 3.3Å; D316-Q320 WeakPolarHBondContact O-CG 3.5Å; D316-Q320 PolarHBondContact O-N 2.73Å; E317-Q320 PolarHBondContact O-N 3.15Å; L318-Q320 VanDerWaalsContact C-N 3.31Å; L318-Q320 PolarHBondContact O-N 3.1Å; Q320-K323 PolarHBondContact O-N 3.23Å
321	I	82.6	Confident	72	Confident	92 Å²	92	71.6 Å²	71.6	47%	0.472	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-46	177.5	-70.7	162.8	0	0	0	110.5	F313 E317 L318 K323	F313-I321 HydrophobicContact CD1-CD1 3.66Å; F313-I321 HydrophobicContact CE1-CD1 3.75Å; F313-I321 HydrophobicContact CG-CD1 4.31Å; F313-I321 HydrophobicContact CZ-CD1 4.5Å; E317-I321 WeakPolarHBondContact O-CB 3Å; E317-I321 WeakPolarHBondContact O-CD1 3.49Å; E317-I321 WeakPolarHBondContact O-CG1 3.21Å; E317-I321 PolarHBondContact O-N 3.38Å; L318-I321 PolarHBondContact O-N 3.29Å; I321-K323 VanDerWaalsContact C-N 3.34Å
322	Y	81.4	Confident	71.6	Confident	79 Å²	79	69.4 Å²	69.4	31%	0.31	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	1.5	-178.5	-73.2	-89.6	0	0	0	113.9	L318 L324 K338 L339 A342	L318-Y322 WeakPolarHBondContact O-CD2 3.26Å; L318-Y322 PolarHBondContact O-N 2.9Å; Y322-L324 PolarHBondContact O-N 2.99Å; Y322-K338 HydrophobicContact CD1-CB 4.22Å; Y322-K338 WeakPolarHBondContact CE1-O 3.38Å; Y322-L339 HydrophobicContact CD2-CD2 3.58Å; Y322-L339 HydrophobicContact CE2-CD2 4.14Å; Y322-L339 HydrophobicContact CG-CD2 3.92Å; Y322-A342 HydrophobicContact CE2-CB 3.63Å; Y322-A342 WeakPolarHBondContact OH-CB 3.11Å
323	K	78.6	Confident	71.2	Confident	167 Å²	167	71.7 Å²	71.7	73%	0.726	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	46.5	176.7	-59	-177.9	179.4	179.7	0	113.6	I319 Q320 I321 T325	I319-K323 WeakPolarHBondContact O-CA 3.17Å; I319-K323 PolarHBondContact O-N 2.92Å; Q320-K323 PolarHBondContact O-N 3.23Å; I321-K323 VanDerWaalsContact C-N 3.34Å; K323-T325 VanDerWaalsContact C-N 3.29Å; K323-T325 PolarHBondContact O-N 3.31Å
324	L	71.8	Confident	70.7	Confident	9 Å²	9	73.7 Å²	73.7	5%	0.047	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	11.1	-173.2	-60.4	173.6	0	0	0	114.4	I319 Y322 M331 L339	I319-L324 HydrophobicContact CG2-CB 4.28Å; I319-L324 PolarHBondContact O-N 3.4Å; Y322-L324 PolarHBondContact O-N 2.99Å; L324-M331 HydrophobicContact CB-CG 4.03Å; L324-M331 HydrophobicContact CD1-CG 4.48Å; L324-L339 HydrophobicContact CD1-CD1 3.65Å; L324-L339 HydrophobicContact CD1-CD2 3.94Å; L324-L339 HydrophobicContact CD1-CG 3.77Å
325	T	59	Low	70.4	Confident	118 Å²	118	71.4 Å²	71.4	72%	0.724	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	10.5	-175.3	47.1	0	0	0	0	115.2	I319 K323	I319-T325 HydrophobicContact CG2-CG2 3.51Å; K323-T325 VanDerWaalsContact C-N 3.29Å; K323-T325 PolarHBondContact O-N 3.31Å
326	G	55.3	Low	70.3	Confident	43 Å²	43	71.2 Å²	71.2	44%	0.443	40%	0.395	S	S	.	.	S	Bend	trans	-89.4	143.8	178.8	0	0	0	0	0	113.3	D328 S329	G326-D328 PolarHBondContact O-N 2.9Å; G326-S329 PolarHBondContact O-N 3.33Å
327	E	51.1	Low	70.3	Confident	210 Å²	210	69.4 Å²	69.4	98%	0.981	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-12.8	-179.8	-75.2	177.3	127.8	0	0	115.2
328	D	50	Low	70.4	Confident	163 Å²	163	71 Å²	71	87%	0.872	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	1.6	178.2	-70.1	-36.6	0	0	0	114.6	G326	G326-D328 PolarHBondContact O-N 2.9Å
329	S	51	Low	70.5	Confident	50 Å²	50	70.9 Å²	70.9	35%	0.35	40%	0.396	S	S	.	.			trans	-129.6	73.9	-176.7	-69.2	0	0	0	0	110.6	G326 M331	G326-S329 PolarHBondContact O-N 3.33Å; S329-M331 PolarHBondContact O-N 3.48Å
330	G	55	Low	70.8	Confident	62 Å²	62	72.5 Å²	72.5	64%	0.639	41%	0.408	S	S	*	.			trans	-54.4	136.2	173.8	0	0	0	0	0	111	G332	G330-G332 PolarHBondContact O-N 2.82Å
331	M	62.2	Low	71	Confident	23 Å²	23	70 Å²	70	11%	0.113	40%	0.403	C	S	.	.	S	Bend	trans	-61.6	5.8	174	-97.6	-178.9	77.3	0	0	113.7	F255 T256 L260 I319 L324 S329	F255-M331 HydrophobicContact CB-CB 4.09Å; F255-M331 WeakPolarHBondContact CB-O 3.27Å; F255-M331 HydrophobicContact CD1-CB 3.85Å; F255-M331 HydrophobicContact CD1-CE 3.37Å; F255-M331 HydrophobicContact CD1-CG 4.31Å; F255-M331 WeakPolarHBondContact CD1-O 3.4Å; F255-M331 HydrophobicContact CE1-CE 3.53Å; F255-M331 HydrophobicContact CG-CB 4.42Å; F255-M331 HydrophobicContact CG-CE 4.26Å; F255-M331 WeakPolarHBondContact CG-O 3.4Å; F255-M331 HydrophobicContact CZ-CE 4.5Å; F255-M331 WeakPolarHBondContact O-CB 3.48Å; T256-M331 VanDerWaalsContact C-CE 3.42Å; T256-M331 VanDerWaalsContact O-CE 3.28Å; T256-M331 WeakPolarHBondContact O-CE 3.36Å; L260-M331 HydrophobicContact CB-CE 4.19Å; L260-M331 HydrophobicContact CD2-CE 4.43Å; I319-M331 HydrophobicContact CD1-CE 3.77Å; I319-M331 HydrophobicContact CD1-SD 3.86Å; I319-M331 HydrophobicContact CG1-CE 4.31Å; I319-M331 HydrophobicContact CG1-SD 4.36Å; L324-M331 HydrophobicContact CB-CG 4.03Å; L324-M331 HydrophobicContact CD1-CG 4.48Å; S329-M331 PolarHBondContact O-N 3.48Å
332	G	67.6	Low	71.2	Confident	23 Å²	23	66 Å²	66	24%	0.237	39%	0.385	C	S	.	.	S	Bend	trans	-65.9	-149.4	178.5	0	0	0	0	0	115.2	M247 G330 S334 G335 I336	M247-G332 WeakPolarHBondContact CE-O 3.38Å; G330-G332 PolarHBondContact O-N 2.82Å; G332-S334 VanDerWaalsContact C-N 3.25Å; G332-S334 PolarHBondContact O-N 3.2Å; G332-G335 WeakPolarHBondContact O-CA 3.49Å; G332-G335 PolarHBondContact O-N 2.71Å; G332-I336 PolarHBondContact O-N 2.99Å
333	Q	70.6	Confident	71.4	Confident	85 Å²	85	62.9 Å²	62.9	40%	0.397	37%	0.373	S	S	.	.	H	α-helix	trans	-56.5	-36.9	-164.4	-159	172	17.8	0	0	113.9	L243 D244 M247 A337	L243-Q333 HydrophobicContact CB-CG 3.73Å; L243-Q333 HydrophobicContact CD1-CG 4Å; L243-Q333 HydrophobicContact CG-CG 4.4Å; D244-Q333 PolarHBondContact OD1-NE2 2.93Å; M247-Q333 VanDerWaalsContact CE-CA 3.45Å; M247-Q333 HydrophobicContact CE-CB 4.38Å; M247-Q333 VanDerWaalsContact CE-N 3.26Å; Q333-A337 PolarHBondContact O-N 2.8Å
334	S	73.6	Confident	71.7	Confident	72 Å²	72	58.6 Å²	58.6	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-71.6	-28.7	175.5	-177.2	0	0	0	0	113.6	G332 K338	G332-S334 VanDerWaalsContact C-N 3.25Å; G332-S334 PolarHBondContact O-N 3.2Å; S334-K338 VanDerWaalsContact O-CG 3.28Å; S334-K338 WeakPolarHBondContact O-CG 3.26Å; S334-K338 PolarHBondContact O-N 2.84Å; S334-K338 VanDerWaalsContact O-N 3.17Å
335	G	77	Confident	72.4	Confident	2 Å²	2	61.3 Å²	61.3	2%	0.021	37%	0.373	C	S	.	.	H	α-helix	trans	-68.3	-48.3	175.8	0	0	0	0	0	111.7	G332 A337 K338 L339	G332-G335 WeakPolarHBondContact O-CA 3.49Å; G332-G335 PolarHBondContact O-N 2.71Å; G335-A337 PolarHBondContact O-N 3.04Å; G335-K338 PolarHBondContact O-N 2.89Å; G335-L339 WeakPolarHBondContact O-CG 3.44Å; G335-L339 PolarHBondContact O-N 3.4Å
336	I	80.3	Confident	73.4	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-42.3	176.6	-64.9	-168.7	0	0	0	111.5	L243 I246 M247 L250 F255 G332 K338 L339 S340	L243-I336 HydrophobicContact CD2-CG2 4.28Å; I246-I336 HydrophobicContact CG2-CD1 3.89Å; I246-I336 HydrophobicContact CG2-CG2 4.25Å; M247-I336 HydrophobicContact CE-CB 4.22Å; M247-I336 HydrophobicContact CE-CD1 3.26Å; M247-I336 HydrophobicContact CE-CG1 3.6Å; M247-I336 HydrophobicContact CG-CD1 4.48Å; M247-I336 HydrophobicContact SD-CD1 3.54Å; M247-I336 VanDerWaalsContact SD-CD1 3.54Å; M247-I336 HydrophobicContact SD-CG1 4.5Å; L250-I336 HydrophobicContact CD1-CD1 4.02Å; F255-I336 HydrophobicContact CD1-CD1 4.34Å; F255-I336 HydrophobicContact CD1-CG1 4.03Å; F255-I336 HydrophobicContact CD2-CD1 4.03Å; F255-I336 HydrophobicContact CE1-CD1 4.22Å; F255-I336 HydrophobicContact CE1-CG1 3.86Å; F255-I336 HydrophobicContact CE2-CD1 3.92Å; F255-I336 HydrophobicContact CE2-CG1 4.46Å; F255-I336 HydrophobicContact CG-CD1 4.26Å; F255-I336 HydrophobicContact CG-CG1 4.41Å; F255-I336 HydrophobicContact CZ-CD1 3.99Å; F255-I336 HydrophobicContact CZ-CG1 4.07Å; G332-I336 PolarHBondContact O-N 2.99Å; I336-K338 VanDerWaalsContact C-N 3.26Å; I336-K338 PolarHBondContact O-N 3.5Å; I336-L339 PolarHBondContact O-N 3.39Å; I336-L339 VanDerWaalsContact O-N 3.15Å; I336-S340 PolarHBondContact O-N 2.87Å; I336-S340 PolarHBondContact O-OG 3.09Å
337	A	81	Confident	74.5	Confident	44 Å²	44	57.8 Å²	57.8	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-58.6	-39	175.5	0	0	0	0	0	112.1	L243 Q333 G335	L243-A337 HydrophobicContact CD1-CB 4.19Å; L243-A337 HydrophobicContact CD2-CB 4.15Å; Q333-A337 PolarHBondContact O-N 2.8Å; G335-A337 PolarHBondContact O-N 3.04Å
338	K	83.9	Confident	75.5	Confident	101 Å²	101	54.7 Å²	54.7	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-71.5	-34.9	175.8	-73.9	171.7	-176.4	173.1	0	113.2	Y322 S334 G335 I336 P341	Y322-K338 HydrophobicContact CD1-CB 4.22Å; Y322-K338 WeakPolarHBondContact CE1-O 3.38Å; S334-K338 VanDerWaalsContact O-CG 3.28Å; S334-K338 WeakPolarHBondContact O-CG 3.26Å; S334-K338 PolarHBondContact O-N 2.84Å; S334-K338 VanDerWaalsContact O-N 3.17Å; G335-K338 PolarHBondContact O-N 2.89Å; I336-K338 VanDerWaalsContact C-N 3.26Å; I336-K338 PolarHBondContact O-N 3.5Å; K338-P341 WeakPolarHBondContact O-CD 3.29Å
339	L	85.3	Confident	76.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-77.1	-22.1	178.8	-72.1	169.4	0	0	0	113.1	F255 L260 L318 Y322 L324 G335 I336 A342 L343	F255-L339 HydrophobicContact CE1-CD1 4.35Å; L260-L339 HydrophobicContact CD1-CD1 4.16Å; L260-L339 HydrophobicContact CD2-CD1 4.08Å; L318-L339 HydrophobicContact CB-CD2 4.11Å; Y322-L339 HydrophobicContact CD2-CD2 3.58Å; Y322-L339 HydrophobicContact CE2-CD2 4.14Å; Y322-L339 HydrophobicContact CG-CD2 3.92Å; L324-L339 HydrophobicContact CD1-CD1 3.65Å; L324-L339 HydrophobicContact CD1-CD2 3.94Å; L324-L339 HydrophobicContact CD1-CG 3.77Å; G335-L339 WeakPolarHBondContact O-CG 3.44Å; G335-L339 PolarHBondContact O-N 3.4Å; I336-L339 PolarHBondContact O-N 3.39Å; I336-L339 VanDerWaalsContact O-N 3.15Å; L339-A342 PolarHBondContact O-N 3.04Å; L339-L343 HydrophobicContact CB-CD1 4.45Å; L339-L343 PolarHBondContact O-N 2.84Å
340	S	86.8	Confident	77.4	Confident	40 Å²	40	48.2 Å²	48.2	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-51.6	-44.4	-174.7	-63.6	0	0	0	0	113.8	I336 A342 L343 V344	I336-S340 PolarHBondContact O-N 2.87Å; I336-S340 PolarHBondContact O-OG 3.09Å; S340-A342 VanDerWaalsContact C-N 3.33Å; S340-A342 PolarHBondContact O-N 2.9Å; S340-L343 PolarHBondContact O-N 3.2Å; S340-V344 WeakPolarHBondContact O-CB 3.35Å; S340-V344 VanDerWaalsContact O-CG2 3.23Å; S340-V344 WeakPolarHBondContact O-CG2 3.32Å; S340-V344 PolarHBondContact O-N 3.1Å
341	P	88.1	Confident	77.6	Confident	82 Å²	82	47.1 Å²	47.1	53%	0.532	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-34.2	176.4	-23.1	35.4	0	0	0	114.1	K338 Q345	K338-P341 WeakPolarHBondContact O-CD 3.29Å; P341-Q345 VanDerWaalsContact O-CB 3.24Å; P341-Q345 WeakPolarHBondContact O-CB 3.48Å; P341-Q345 PolarHBondContact O-N 3.49Å
342	A	85.6	Confident	77.7	Confident	10 Å²	10	46.3 Å²	46.3	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-73.6	-41.9	176.4	0	0	0	0	0	111.8	L318 Y322 L339 S340 Q345 Q346	L318-A342 HydrophobicContact CD2-CB 3.92Å; Y322-A342 HydrophobicContact CE2-CB 3.63Å; Y322-A342 WeakPolarHBondContact OH-CB 3.11Å; L339-A342 PolarHBondContact O-N 3.04Å; S340-A342 VanDerWaalsContact C-N 3.33Å; S340-A342 PolarHBondContact O-N 2.9Å; A342-Q345 PolarHBondContact O-N 3.15Å; A342-Q346 WeakPolarHBondContact O-CG 3.43Å; A342-Q346 PolarHBondContact O-N 3.36Å
343	L	85.3	Confident	77.1	Confident	12 Å²	12	47.6 Å²	47.6	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-46.8	174.3	-66.7	174.2	0	0	0	110.8	L263 M264 I269 L318 L339 S340 Q345 Q346 I347	L263-L343 HydrophobicContact CD2-CD1 4.15Å; M264-L343 HydrophobicContact CG-CD2 3.88Å; I269-L343 HydrophobicContact CD1-CD2 4.46Å; L318-L343 HydrophobicContact CD1-CD2 4.26Å; L339-L343 HydrophobicContact CB-CD1 4.45Å; L339-L343 PolarHBondContact O-N 2.84Å; S340-L343 PolarHBondContact O-N 3.2Å; L343-Q345 VanDerWaalsContact C-N 3.32Å; L343-Q345 PolarHBondContact O-N 2.91Å; L343-Q346 PolarHBondContact O-N 3.17Å; L343-I347 VanDerWaalsContact O-CG1 3.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.36Å; L343-I347 PolarHBondContact O-N 2.81Å
344	V	84.8	Confident	76.1	Confident	77 Å²	77	49.1 Å²	49.1	47%	0.467	29%	0.294	S	S	.	.	H	α-helix	trans	-61	-41.7	174.9	172.4	0	0	0	0	111	S340 Q346 I347 L348	S340-V344 WeakPolarHBondContact O-CB 3.35Å; S340-V344 VanDerWaalsContact O-CG2 3.23Å; S340-V344 WeakPolarHBondContact O-CG2 3.32Å; S340-V344 PolarHBondContact O-N 3.1Å; V344-Q346 PolarHBondContact O-N 3.21Å; V344-I347 PolarHBondContact O-N 3.13Å; V344-L348 HydrophobicContact CG1-CD1 3.65Å; V344-L348 HydrophobicContact CG1-CG 4.12Å; V344-L348 WeakPolarHBondContact O-CB 3.22Å; V344-L348 VanDerWaalsContact O-CG 3.26Å; V344-L348 WeakPolarHBondContact O-CG 3.29Å; V344-L348 PolarHBondContact O-N 2.76Å
345	Q	86.3	Confident	74.2	Confident	67 Å²	67	48.1 Å²	48.1	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176.7	-178	-84.6	-55.2	0	0	112.4	P341 A342 L343 I347 L348 S349	P341-Q345 VanDerWaalsContact O-CB 3.24Å; P341-Q345 WeakPolarHBondContact O-CB 3.48Å; P341-Q345 PolarHBondContact O-N 3.49Å; A342-Q345 PolarHBondContact O-N 3.15Å; L343-Q345 VanDerWaalsContact C-N 3.32Å; L343-Q345 PolarHBondContact O-N 2.91Å; Q345-I347 VanDerWaalsContact C-N 3.34Å; Q345-L348 PolarHBondContact O-N 3.31Å; Q345-S349 PolarHBondContact NE2-OG 2.92Å; Q345-S349 VanDerWaalsContact O-CB 3.26Å; Q345-S349 WeakPolarHBondContact O-CB 2.79Å; Q345-S349 PolarHBondContact O-N 2.83Å; Q345-S349 PolarHBondContact O-OG 2.63Å
346	Q	80.2	Confident	72.5	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.009	32%	0.321	C	S	.	.	H	α-helix	trans	-69.5	-30.7	178.8	-70.4	-173.2	-63	0	0	113	I269 F313 A342 L343 V344 S349 C352	I269-Q346 HydrophobicContact CD1-CB 4.26Å; I269-Q346 HydrophobicContact CG2-CB 3.8Å; I269-Q346 HydrophobicContact CG2-CG 4.41Å; F313-Q346 PolarHBondContact O-NE2 2.92Å; A342-Q346 WeakPolarHBondContact O-CG 3.43Å; A342-Q346 PolarHBondContact O-N 3.36Å; L343-Q346 PolarHBondContact O-N 3.17Å; V344-Q346 PolarHBondContact O-N 3.21Å; Q346-S349 PolarHBondContact O-OG 3.46Å; Q346-C352 PolarHBondContact NE2-SG 3.49Å
347	I	78.1	Confident	69.9	Low	85 Å²	85	62 Å²	62	44%	0.436	36%	0.36	S	S	.	.	H	α-helix	trans	-68.1	-53.1	171.1	-65.5	167.6	0	0	0	109.8	L267 I269 L343 V344 Q345 S349 G350	L267-I347 HydrophobicContact CD2-CD1 4.37Å; I269-I347 HydrophobicContact CD1-CD1 4.05Å; I269-I347 HydrophobicContact CD1-CG1 3.44Å; I269-I347 VanDerWaalsContact CD1-CG1 3.44Å; I269-I347 HydrophobicContact CG1-CG1 4.07Å; L343-I347 VanDerWaalsContact O-CG1 3.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.36Å; L343-I347 PolarHBondContact O-N 2.81Å; V344-I347 PolarHBondContact O-N 3.13Å; Q345-I347 VanDerWaalsContact C-N 3.34Å; I347-S349 VanDerWaalsContact C-N 3.26Å; I347-S349 PolarHBondContact O-N 3.18Å; I347-G350 PolarHBondContact O-N 2.05Å
348	L	74.1	Confident	67.5	Low	144 Å²	144	64.1 Å²	64.1	75%	0.754	37%	0.37	S	S	*	.	H	α-helix	trans	-65.5	-28.9	-176.8	-69.1	175.8	0	0	0	112.7	V344 Q345	V344-L348 HydrophobicContact CG1-CD1 3.65Å; V344-L348 HydrophobicContact CG1-CG 4.12Å; V344-L348 WeakPolarHBondContact O-CB 3.22Å; V344-L348 VanDerWaalsContact O-CG 3.26Å; V344-L348 WeakPolarHBondContact O-CG 3.29Å; V344-L348 PolarHBondContact O-N 2.76Å; Q345-L348 PolarHBondContact O-N 3.31Å
349	S	74.2	Confident	65.4	Low	35 Å²	35	66 Å²	66	25%	0.245	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.4	178.6	76.1	0	0	0	0	114	Q309 Q345 Q346 I347 T351	Q309-S349 WeakPolarHBondContact O-CB 3.21Å; Q345-S349 PolarHBondContact NE2-OG 2.92Å; Q345-S349 VanDerWaalsContact O-CB 3.26Å; Q345-S349 WeakPolarHBondContact O-CB 2.79Å; Q345-S349 PolarHBondContact O-N 2.83Å; Q345-S349 PolarHBondContact O-OG 2.63Å; Q346-S349 PolarHBondContact O-OG 3.46Å; I347-S349 VanDerWaalsContact C-N 3.26Å; I347-S349 PolarHBondContact O-N 3.18Å; S349-T351 VanDerWaalsContact CB-OG1 3.32Å; S349-T351 WeakPolarHBondContact CB-OG1 3.15Å; S349-T351 PolarHBondContact O-N 3.01Å; S349-T351 PolarHBondContact O-OG1 3.04Å; S349-T351 PolarHBondContact OG-OG1 3.41Å
350	G	65.6	Low	63	Low	43 Å²	43	69.8 Å²	69.8	44%	0.443	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	22.3	178.3	0	0	0	0	0	114.6	I347 T353	I347-G350 PolarHBondContact O-N 2.05Å; G350-T353 PolarHBondContact O-OG1 3.3Å
351	T	58.5	Low	61	Low	38 Å²	38	73 Å²	73	23%	0.233	43%	0.432	C	S	.	.			trans	-91.8	-29.2	-166	-51.2	0	0	0	0	112.7	Q309 H310 C312 S349	Q309-T351 PolarHBondContact O-OG1 3.15Å; H310-T351 VanDerWaalsContact CA-CG2 3.49Å; H310-T351 HydrophobicContact CB-CG2 4.23Å; H310-T351 WeakPolarHBondContact O-CG2 3.44Å; C312-T351 HydrophobicContact CB-CG2 4.42Å; S349-T351 VanDerWaalsContact CB-OG1 3.32Å; S349-T351 WeakPolarHBondContact CB-OG1 3.15Å; S349-T351 PolarHBondContact O-N 3.01Å; S349-T351 PolarHBondContact O-OG1 3.04Å; S349-T351 PolarHBondContact OG-OG1 3.41Å
352	C	64.8	Low	59	Low	6 Å²	6	70.6 Å²	70.6	4%	0.041	41%	0.414	C	S	.	.	S	Bend	trans	-93.1	-2.8	-174.1	-81.2	0	0	0	0	114.7	I269 G270 C312 Q346 N354	I269-C352 HydrophobicContact CB-CB 4.23Å; I269-C352 HydrophobicContact CG2-CB 3.52Å; G270-C352 PolarHBondContact N-O 3.5Å; C312-C352 WeakPolarHBondContact CA-SG 3.49Å; C312-C352 HydrophobicContact CB-CB 3.98Å; C312-C352 WeakPolarHBondContact CB-SG 3.47Å; C312-C352 WeakPolarHBondContact SG-CA 3.32Å; C312-C352 WeakPolarHBondContact SG-CB 3.5Å; C312-C352 CovalentContact SG-SG 2.03Å; C312-C352 PolarHBondContact SG-SG 3.19Å; Q346-C352 PolarHBondContact NE2-SG 3.49Å; C352-N354 PolarHBondContact O-N 3Å
353	T	55.1	Low	57.2	Low	51 Å²	51	72.5 Å²	72.5	31%	0.313	44%	0.435	S	S	.	.			trans	-85.4	102.2	-178.5	54.7	0	0	0	0	108.2	N268 G350 V355	N268-T353 HydrophobicContact CB-CG2 4.49Å; N268-T353 WeakPolarHBondContact O-CG2 3.38Å; G350-T353 PolarHBondContact O-OG1 3.3Å; T353-V355 HydrophobicContact CG2-CG2 4.22Å; T353-V355 PolarHBondContact O-N 2.98Å; T353-V355 WeakPolarHBondContact OG1-CG2 3.08Å
354	N	49.6	Very low	55.9	Low	116 Å²	116	72.9 Å²	72.9	62%	0.62	44%	0.437	S	S	*	.			trans	-69.1	73.6	155.4	-82	-32.2	0	0	0	107.3	C352 P356	C352-N354 PolarHBondContact O-N 3Å; N354-P356 WeakPolarHBondContact O-CD 3.35Å
355	V	34.8	Very low	55.3	Low	51 Å²	51	72.3 Å²	72.3	31%	0.309	44%	0.436	S	S	.	.			trans	-83.1	120.4	173.1	-141	0	0	0	0	108.1	T353 E357 P358	T353-V355 HydrophobicContact CG2-CG2 4.22Å; T353-V355 PolarHBondContact O-N 2.98Å; T353-V355 WeakPolarHBondContact OG1-CG2 3.08Å; V355-E357 PolarHBondContact O-N 3.09Å; V355-P358 HydrophobicContact CB-CG 4.46Å; V355-P358 HydrophobicContact CG1-CB 3.74Å; V355-P358 HydrophobicContact CG1-CG 3.72Å; V355-P358 HydrophobicContact CG2-CG 4.35Å
356	P	40.3	Very low	54.8	Low	120 Å²	120	73.7 Å²	73.7	78%	0.779	45%	0.449	S	S	*	.	S	Bend	trans	-61.6	97.3	136.4	26.8	-26.1	0	0	0	105.7	N354	N354-P356 WeakPolarHBondContact O-CD 3.35Å
357	E	25.6	Very low	54.8	Low	179 Å²	179	78.5 Å²	78.5	84%	0.836	48%	0.479	S	S	*	.			trans	5.3	110.3	-179.6	-78	-175.3	151.2	0	0	114.8	V355 V359	V355-E357 PolarHBondContact O-N 3.09Å; E357-V359 PolarHBondContact O-N 3.33Å
358	P	30.6	Very low	54.9	Low	87 Å²	87	77.5 Å²	77.5	57%	0.565	47%	0.474	S	S	*	.			trans	-66.4	135.2	-179.8	26.6	-20.8	0	0	0	106.9	V355 T360	V355-P358 HydrophobicContact CB-CG 4.46Å; V355-P358 HydrophobicContact CG1-CB 3.74Å; V355-P358 HydrophobicContact CG1-CG 3.72Å; V355-P358 HydrophobicContact CG2-CG 4.35Å; P358-T360 PolarHBondContact O-N 3.47Å
359	V	39.5	Very low	55.2	Low	140 Å²	140	73.8 Å²	73.8	85%	0.848	45%	0.452	S	S	*	.			trans	-57.3	90.8	171.1	-176.7	0	0	0	0	107.4	E357	E357-V359 PolarHBondContact O-N 3.33Å
360	T	36.4	Very low	55.7	Low	80 Å²	80	80.3 Å²	80.3	49%	0.491	47%	0.473	S	S	.	.			trans	-50.3	133.3	153.3	51.6	0	0	0	0	105.3	P358 E362 G363	P358-T360 PolarHBondContact O-N 3.47Å; T360-E362 PolarHBondContact O-N 3.42Å; T360-G363 WeakPolarHBondContact OG1-CA 3.33Å; T360-G363 PolarHBondContact OG1-N 3.23Å
361	P	44.7	Very low	56.8	Low	108 Å²	108	82.6 Å²	82.6	70%	0.701	47%	0.474	S	S	*	.	S	Bend	trans	-66.9	89.5	156.6	24.6	-17.6	0	0	0	104.1
362	E	44.9	Very low	58.1	Low	31 Å²	31	86.1 Å²	86.1	15%	0.145	48%	0.484	C	S	.	.	S	Bend	trans	89	24.9	156.6	-52.4	-169.7	168	0	0	118.9	T360 L364 W571 R572	T360-E362 PolarHBondContact O-N 3.42Å; E362-L364 PolarHBondContact O-N 3.44Å; E362-W571 HydrophobicContact CB-CG 4.25Å; E362-W571 VanDerWaalsContact CD-CZ2 3.45Å; E362-W571 VanDerWaalsContact CG-CD1 3.42Å; E362-W571 HydrophobicContact CG-CG 4.45Å; E362-W571 HydrophobicContact CG-CZ2 4.46Å; E362-W571 WeakPolarHBondContact OE1-CZ2 3.2Å; E362-W571 PolarHBondContact OE1-NE1 2.87Å; E362-W571 PolarHBondContact OE2-NE1 3.31Å; E362-R572 VanDerWaalsContact CD-NE 3.29Å; E362-R572 IonicContact OE1-CZ 3.15Å; E362-R572 IonicContact OE1-NE 3.73Å; E362-R572 PolarHBondContact OE1-NE 3.04Å; E362-R572 IonicContact OE1-NH1 3.51Å; E362-R572 PolarHBondContact OE1-NH1 3.2Å; E362-R572 IonicContact OE1-NH2 2.81Å; E362-R572 PolarHBondContact OE1-NH2 3.48Å; E362-R572 WeakPolarHBondContact OE2-CD 3.32Å; E362-R572 WeakPolarHBondContact OE2-CG 3.38Å; E362-R572 IonicContact OE2-CZ 2.95Å; E362-R572 IonicContact OE2-NE 3.7Å; E362-R572 PolarHBondContact OE2-NE 3.41Å; E362-R572 VanDerWaalsContact OE2-NE 3.09Å; E362-R572 IonicContact OE2-NH1 2.93Å; E362-R572 PolarHBondContact OE2-NH1 2.92Å; E362-R572 IonicContact OE2-NH2 3.3Å
363	G	48.4	Very low	59.2	Low	50 Å²	50	86.6 Å²	86.6	52%	0.515	49%	0.488	S	S	.	.			trans	-73.3	86.7	167.6	0	0	0	0	0	111.1	T360 S365	T360-G363 WeakPolarHBondContact OG1-CA 3.33Å; T360-G363 PolarHBondContact OG1-N 3.23Å; G363-S365 PolarHBondContact O-N 3.41Å
364	L	57.6	Low	60.9	Low	21 Å²	21	88.5 Å²	88.5	11%	0.11	50%	0.5	C	S	.	.			trans	-56.6	128.9	170	-86.6	47.6	0	0	0	109.5	E362 N368 K369 Y372 F567 W571	E362-L364 PolarHBondContact O-N 3.44Å; L364-N368 HydrophobicContact CB-CB 3.85Å; L364-N368 HydrophobicContact CG-CB 3.97Å; L364-K369 HydrophobicContact CB-CG 3.59Å; L364-K369 HydrophobicContact CD2-CG 4.49Å; L364-K369 WeakPolarHBondContact O-CE 3.35Å; L364-K369 WeakPolarHBondContact O-CG 3.38Å; L364-Y372 HydrophobicContact CD1-CD2 4.49Å; L364-Y372 HydrophobicContact CD1-CE2 4.25Å; L364-Y372 HydrophobicContact CD2-CD2 3.14Å; L364-Y372 HydrophobicContact CD2-CE2 3.7Å; L364-Y372 HydrophobicContact CD2-CG 4.03Å; L364-Y372 HydrophobicContact CG-CD2 3.6Å; L364-Y372 HydrophobicContact CG-CE2 3.63Å; L364-F567 HydrophobicContact CD2-CD1 4.31Å; L364-W571 HydrophobicContact CD1-CB 3.6Å; L364-W571 HydrophobicContact CD1-CG 3.95Å; L364-W571 HydrophobicContact CD2-CB 3.71Å; L364-W571 HydrophobicContact CG-CB 4.34Å
365	S	73.3	Confident	62.9	Low	65 Å²	65	85.9 Å²	85.9	46%	0.455	49%	0.488	S	S	.	.			trans	-46.4	148.4	163.6	165.5	0	0	0	0	110.2	G363 T367 N368 K369	G363-S365 PolarHBondContact O-N 3.41Å; S365-T367 PolarHBondContact O-N 3.02Å; S365-T367 VanDerWaalsContact O-N 3.07Å; S365-T367 PolarHBondContact OG-N 3.07Å; S365-N368 CarbonylContact O-C 3.42Å; S365-N368 VanDerWaalsContact O-CA 3.29Å; S365-N368 WeakPolarHBondContact O-CA 3.41Å; S365-N368 VanDerWaalsContact O-CB 3.31Å; S365-N368 WeakPolarHBondContact O-CB 3.35Å; S365-N368 PolarHBondContact O-N 2.89Å; S365-K369 PolarHBondContact O-N 3.36Å
366	T	74.1	Confident	65.5	Low	96 Å²	96	84.2 Å²	84.2	59%	0.589	48%	0.479	S	S	*	.	H	α-helix	trans	-48.7	-40.7	177.1	-45.2	0	0	0	0	111.3	N368 K369 Y370	T366-N368 PolarHBondContact O-N 3.29Å; T366-K369 PolarHBondContact O-N 2.97Å; T366-Y370 HydrophobicContact CG2-CD2 4.16Å; T366-Y370 HydrophobicContact CG2-CE2 3.88Å; T366-Y370 WeakPolarHBondContact O-CD2 3.47Å; T366-Y370 PolarHBondContact O-N 3.45Å
367	T	80.9	Confident	67.9	Low	103 Å²	103	81.7 Å²	81.7	63%	0.632	46%	0.459	S	S	*	.	H	α-helix	trans	-61.9	-42.7	173.9	-53.6	0	0	0	0	112.5	S365 L371	S365-T367 PolarHBondContact O-N 3.02Å; S365-T367 VanDerWaalsContact O-N 3.07Å; S365-T367 PolarHBondContact OG-N 3.07Å; T367-L371 VanDerWaalsContact O-CB 3.26Å; T367-L371 WeakPolarHBondContact O-CB 3.42Å; T367-L371 PolarHBondContact O-N 3.23Å
368	N	79.5	Confident	70.9	Confident	63 Å²	63	77.8 Å²	77.8	34%	0.337	44%	0.444	S	S	.	.	H	α-helix	trans	-66.7	-39.8	176.9	-68.5	-11.8	0	0	0	111.3	L364 S365 T366 Y370 L371 Y372	L364-N368 HydrophobicContact CB-CB 3.85Å; L364-N368 HydrophobicContact CG-CB 3.97Å; S365-N368 CarbonylContact O-C 3.42Å; S365-N368 VanDerWaalsContact O-CA 3.29Å; S365-N368 WeakPolarHBondContact O-CA 3.41Å; S365-N368 VanDerWaalsContact O-CB 3.31Å; S365-N368 WeakPolarHBondContact O-CB 3.35Å; S365-N368 PolarHBondContact O-N 2.89Å; T366-N368 PolarHBondContact O-N 3.29Å; N368-Y370 PolarHBondContact O-N 3.4Å; N368-L371 WeakPolarHBondContact O-CB 3.42Å; N368-L371 PolarHBondContact O-N 2.84Å; N368-L371 VanDerWaalsContact O-N 3.15Å; N368-Y372 HydrophobicContact CB-CD2 4.04Å; N368-Y372 HydrophobicContact CB-CE2 3.84Å; N368-Y372 WeakPolarHBondContact O-CD2 3.31Å; N368-Y372 PolarHBondContact O-N 3.09Å
369	K	80.8	Confident	73.7	Confident	66 Å²	66	78.2 Å²	78.2	29%	0.287	44%	0.44	S	S	.	.	H	α-helix	trans	-57	-50.4	176.4	-64.7	177.8	176.6	-163.6	0	111.3	L364 S365 T366 A373 S568	L364-K369 HydrophobicContact CB-CG 3.59Å; L364-K369 HydrophobicContact CD2-CG 4.49Å; L364-K369 WeakPolarHBondContact O-CE 3.35Å; L364-K369 WeakPolarHBondContact O-CG 3.38Å; S365-K369 PolarHBondContact O-N 3.36Å; T366-K369 PolarHBondContact O-N 2.97Å; K369-A373 WeakPolarHBondContact O-CB 3.44Å; K369-A373 PolarHBondContact O-N 2.96Å; K369-S568 PolarHBondContact NZ-O 3.37Å
370	Y	85.2	Confident	76	Confident	172 Å²	172	72.1 Å²	72.1	68%	0.675	40%	0.403	S	S	*	.	H	α-helix	trans	-63.8	-40.7	175	-77	-73.6	0	0	0	112	T366 N368 T374	T366-Y370 HydrophobicContact CG2-CD2 4.16Å; T366-Y370 HydrophobicContact CG2-CE2 3.88Å; T366-Y370 WeakPolarHBondContact O-CD2 3.47Å; T366-Y370 PolarHBondContact O-N 3.45Å; N368-Y370 PolarHBondContact O-N 3.4Å; Y370-T374 WeakPolarHBondContact O-CB 3.23Å; Y370-T374 PolarHBondContact O-N 2.96Å; Y370-T374 PolarHBondContact O-OG1 2.85Å
371	L	88	Confident	78.3	Confident	92 Å²	92	71.1 Å²	71.1	48%	0.482	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-51.3	178.8	-178.8	64.5	0	0	0	111.7	T367 N368 T374 V375	T367-L371 VanDerWaalsContact O-CB 3.26Å; T367-L371 WeakPolarHBondContact O-CB 3.42Å; T367-L371 PolarHBondContact O-N 3.23Å; N368-L371 WeakPolarHBondContact O-CB 3.42Å; N368-L371 PolarHBondContact O-N 2.84Å; N368-L371 VanDerWaalsContact O-N 3.15Å; L371-T374 PolarHBondContact O-N 2.91Å; L371-V375 HydrophobicContact CD1-CG2 4.06Å; L371-V375 HydrophobicContact CG-CG2 4.39Å; L371-V375 VanDerWaalsContact O-CB 3.31Å; L371-V375 WeakPolarHBondContact O-CB 3.32Å; L371-V375 WeakPolarHBondContact O-CG2 3.19Å; L371-V375 PolarHBondContact O-N 3.42Å
372	Y	87.1	Confident	80.1	Confident	112 Å²	112	70.6 Å²	70.6	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-67.8	-41.7	-177.9	-70.3	-62.2	0	0	0	112.3	L364 N368 T374 V375 A376	L364-Y372 HydrophobicContact CD1-CD2 4.49Å; L364-Y372 HydrophobicContact CD1-CE2 4.25Å; L364-Y372 HydrophobicContact CD2-CD2 3.14Å; L364-Y372 HydrophobicContact CD2-CE2 3.7Å; L364-Y372 HydrophobicContact CD2-CG 4.03Å; L364-Y372 HydrophobicContact CG-CD2 3.6Å; L364-Y372 HydrophobicContact CG-CE2 3.63Å; N368-Y372 HydrophobicContact CB-CD2 4.04Å; N368-Y372 HydrophobicContact CB-CE2 3.84Å; N368-Y372 WeakPolarHBondContact O-CD2 3.31Å; N368-Y372 PolarHBondContact O-N 3.09Å; Y372-T374 VanDerWaalsContact C-N 3.34Å; Y372-T374 PolarHBondContact O-N 2.84Å; Y372-V375 PolarHBondContact O-N 2.03Å; Y372-A376 VanDerWaalsContact O-CB 3.26Å; Y372-A376 WeakPolarHBondContact O-CB 3.48Å; Y372-A376 PolarHBondContact O-N 3.25Å
373	A	87.8	Confident	81.7	Confident	15 Å²	15	71.1 Å²	71.1	12%	0.124	39%	0.393	C	S	.	.	H	α-helix	trans	-61.2	-43.5	173.8	0	0	0	0	0	111.7	K369 N377 I563 F567	K369-A373 WeakPolarHBondContact O-CB 3.44Å; K369-A373 PolarHBondContact O-N 2.96Å; A373-N377 WeakPolarHBondContact O-CB 3.29Å; A373-N377 PolarHBondContact O-N 3.34Å; A373-I563 HydrophobicContact CB-CG2 4.41Å; A373-F567 HydrophobicContact CB-CB 4.2Å; A373-F567 HydrophobicContact CB-CD2 3.81Å; A373-F567 HydrophobicContact CB-CG 4.26Å
374	T	90.5	Very high	82.9	Confident	91 Å²	91	69.2 Å²	69.2	56%	0.558	37%	0.372	S	S	*	.	H	α-helix	trans	-67.9	-41.8	179.1	-54.9	0	0	0	0	111.5	Y370 L371 Y372 N377 L378	Y370-T374 WeakPolarHBondContact O-CB 3.23Å; Y370-T374 PolarHBondContact O-N 2.96Å; Y370-T374 PolarHBondContact O-OG1 2.85Å; L371-T374 PolarHBondContact O-N 2.91Å; Y372-T374 VanDerWaalsContact C-N 3.34Å; Y372-T374 PolarHBondContact O-N 2.84Å; T374-N377 PolarHBondContact O-N 3.49Å; T374-L378 VanDerWaalsContact O-CB 3.27Å; T374-L378 WeakPolarHBondContact O-CB 3.05Å; T374-L378 PolarHBondContact O-N 3.4Å
375	V	92.1	Very high	83.7	Confident	62 Å²	62	73.3 Å²	73.3	38%	0.376	39%	0.392	S	S	.	.	H	α-helix	trans	-65.8	-43.6	177.5	168.2	0	0	0	0	110.9	L371 Y372 L378 I379	L371-V375 HydrophobicContact CD1-CG2 4.06Å; L371-V375 HydrophobicContact CG-CG2 4.39Å; L371-V375 VanDerWaalsContact O-CB 3.31Å; L371-V375 WeakPolarHBondContact O-CB 3.32Å; L371-V375 WeakPolarHBondContact O-CG2 3.19Å; L371-V375 PolarHBondContact O-N 3.42Å; Y372-V375 PolarHBondContact O-N 2.03Å; V375-L378 PolarHBondContact O-N 3.36Å; V375-I379 HydrophobicContact CG1-CD1 3.81Å; V375-I379 HydrophobicContact CG1-CG1 4.48Å; V375-I379 VanDerWaalsContact O-CG1 3.28Å; V375-I379 WeakPolarHBondContact O-CG1 3.45Å; V375-I379 PolarHBondContact O-N 3.39Å
376	A	88.3	Confident	83.4	Confident	15 Å²	15	75.5 Å²	75.5	12%	0.124	40%	0.398	C	S	.	.	H	α-helix	trans	-60.1	-49.2	175.9	0	0	0	0	0	111.1	Y372 L378 I379 I380 F567 S578	Y372-A376 VanDerWaalsContact O-CB 3.26Å; Y372-A376 WeakPolarHBondContact O-CB 3.48Å; Y372-A376 PolarHBondContact O-N 3.25Å; A376-L378 VanDerWaalsContact C-N 3.32Å; A376-L378 PolarHBondContact O-N 3.47Å; A376-I379 PolarHBondContact O-N 3.42Å; A376-I379 VanDerWaalsContact O-N 3.15Å; A376-I380 VanDerWaalsContact O-CG1 3.3Å; A376-I380 WeakPolarHBondContact O-CG1 3.29Å; A376-I380 PolarHBondContact O-N 3.4Å; A376-F567 HydrophobicContact CB-CE2 3.88Å; A376-F567 HydrophobicContact CB-CZ 4.27Å; A376-S578 WeakPolarHBondContact CB-OG 3.38Å
377	N	89.8	Confident	82.9	Confident	67 Å²	67	71.4 Å²	71.4	36%	0.358	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-39.1	177.5	-165.8	54.1	0	0	0	112.4	A373 T374 I379 I380 T381	A373-N377 WeakPolarHBondContact O-CB 3.29Å; A373-N377 PolarHBondContact O-N 3.34Å; T374-N377 PolarHBondContact O-N 3.49Å; N377-I379 PolarHBondContact O-N 3.39Å; N377-I380 PolarHBondContact O-N 3.08Å; N377-T381 WeakPolarHBondContact O-CB 3.4Å; N377-T381 VanDerWaalsContact O-CG2 3.31Å; N377-T381 WeakPolarHBondContact O-CG2 3.07Å; N377-T381 PolarHBondContact O-N 2.97Å; N377-T381 PolarHBondContact O-OG1 2.96Å
378	L	89.4	Confident	82.1	Confident	98 Å²	98	68.5 Å²	68.5	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-41	174.9	-177.5	66	0	0	0	111.9	T374 V375 A376 T381 L382	T374-L378 VanDerWaalsContact O-CB 3.27Å; T374-L378 WeakPolarHBondContact O-CB 3.05Å; T374-L378 PolarHBondContact O-N 3.4Å; V375-L378 PolarHBondContact O-N 3.36Å; A376-L378 VanDerWaalsContact C-N 3.32Å; A376-L378 PolarHBondContact O-N 3.47Å; L378-T381 WeakPolarHBondContact CA-OG1 3.28Å; L378-T381 PolarHBondContact O-OG1 3.2Å; L378-L382 HydrophobicContact CD1-CD1 4.1Å; L378-L382 HydrophobicContact CD1-CG 4.21Å; L378-L382 HydrophobicContact CG-CD1 3.93Å; L378-L382 HydrophobicContact CG-CG 4.41Å; L378-L382 VanDerWaalsContact O-CB 3.3Å; L378-L382 WeakPolarHBondContact O-CB 3.43Å; L378-L382 WeakPolarHBondContact O-CG 3.3Å; L378-L382 PolarHBondContact O-N 3.09Å
379	I	89.4	Confident	81.3	Confident	95 Å²	95	69.8 Å²	69.8	49%	0.487	37%	0.365	S	S	.	.	H	α-helix	trans	-66.3	-44.1	178	-70.2	166	0	0	0	110.6	V375 A376 N377 L382 T383	V375-I379 HydrophobicContact CG1-CD1 3.81Å; V375-I379 HydrophobicContact CG1-CG1 4.48Å; V375-I379 VanDerWaalsContact O-CG1 3.28Å; V375-I379 WeakPolarHBondContact O-CG1 3.45Å; V375-I379 PolarHBondContact O-N 3.39Å; A376-I379 PolarHBondContact O-N 3.42Å; A376-I379 VanDerWaalsContact O-N 3.15Å; N377-I379 PolarHBondContact O-N 3.39Å; I379-L382 PolarHBondContact O-N 3.37Å; I379-T383 WeakPolarHBondContact O-CB 3.42Å; I379-T383 PolarHBondContact O-N 3.42Å; I379-T383 PolarHBondContact O-OG1 3.29Å
380	I	87.4	Confident	80.4	Confident	13 Å²	13	71.4 Å²	71.4	7%	0.067	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-52.4	179.1	-66.2	166.5	0	0	0	109.8	A376 N377 L382 T383 A384 I563 S578 V581 F582 E585	A376-I380 VanDerWaalsContact O-CG1 3.3Å; A376-I380 WeakPolarHBondContact O-CG1 3.29Å; A376-I380 PolarHBondContact O-N 3.4Å; N377-I380 PolarHBondContact O-N 3.08Å; I380-L382 PolarHBondContact O-N 3.16Å; I380-T383 PolarHBondContact O-N 2.99Å; I380-A384 PolarHBondContact O-N 3.34Å; I380-I563 HydrophobicContact CD1-CD1 3.76Å; I380-S578 WeakPolarHBondContact CD1-O 3.22Å; I380-V581 HydrophobicContact CD1-CB 4.46Å; I380-V581 HydrophobicContact CD1-CG1 4.13Å; I380-F582 HydrophobicContact CD1-CB 4.44Å; I380-F582 HydrophobicContact CG1-CB 4.06Å; I380-F582 HydrophobicContact CG1-CD2 4.22Å; I380-E585 HydrophobicContact CG2-CB 4.23Å
381	T	84.4	Confident	79.1	Confident	58 Å²	58	63.9 Å²	63.9	36%	0.356	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-43.7	178.9	50.7	0	0	0	0	113	N377 L378 T383 A384 M385	N377-T381 WeakPolarHBondContact O-CB 3.4Å; N377-T381 VanDerWaalsContact O-CG2 3.31Å; N377-T381 WeakPolarHBondContact O-CG2 3.07Å; N377-T381 PolarHBondContact O-N 2.97Å; N377-T381 PolarHBondContact O-OG1 2.96Å; L378-T381 WeakPolarHBondContact CA-OG1 3.28Å; L378-T381 PolarHBondContact O-OG1 3.2Å; T381-T383 VanDerWaalsContact C-N 3.32Å; T381-T383 PolarHBondContact O-N 3.25Å; T381-A384 PolarHBondContact O-N 2.69Å; T381-M385 VanDerWaalsContact O-CG 3.23Å; T381-M385 WeakPolarHBondContact O-CG 3.4Å; T381-M385 PolarHBondContact O-N 3.01Å
382	L	83.2	Confident	77.8	Confident	98 Å²	98	64.2 Å²	64.2	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-36.5	176.4	-74.2	174.3	0	0	0	112.5	L378 I379 I380 M385 L386	L378-L382 HydrophobicContact CD1-CD1 4.1Å; L378-L382 HydrophobicContact CD1-CG 4.21Å; L378-L382 HydrophobicContact CG-CD1 3.93Å; L378-L382 HydrophobicContact CG-CG 4.41Å; L378-L382 VanDerWaalsContact O-CB 3.3Å; L378-L382 WeakPolarHBondContact O-CB 3.43Å; L378-L382 WeakPolarHBondContact O-CG 3.3Å; L378-L382 PolarHBondContact O-N 3.09Å; I379-L382 PolarHBondContact O-N 3.37Å; I380-L382 PolarHBondContact O-N 3.16Å; L382-M385 PolarHBondContact O-N 3.17Å; L382-L386 WeakPolarHBondContact O-CG 3.43Å; L382-L386 PolarHBondContact O-N 2.83Å
383	T	78.5	Confident	76.4	Confident	41 Å²	41	63.9 Å²	63.9	25%	0.252	37%	0.366	S	S	.	.	H	α-helix	trans	-74.9	-37.1	-179.5	-49.8	0	0	0	0	111.5	I379 I380 T381 M385 L386 G387 F582 L586	I379-T383 WeakPolarHBondContact O-CB 3.42Å; I379-T383 PolarHBondContact O-N 3.42Å; I379-T383 PolarHBondContact O-OG1 3.29Å; I380-T383 PolarHBondContact O-N 2.99Å; T381-T383 VanDerWaalsContact C-N 3.32Å; T381-T383 PolarHBondContact O-N 3.25Å; T383-M385 VanDerWaalsContact C-N 3.29Å; T383-M385 PolarHBondContact O-N 2.97Å; T383-L386 WeakPolarHBondContact O-CB 3.4Å; T383-L386 PolarHBondContact O-N 3.36Å; T383-L386 VanDerWaalsContact O-N 3.13Å; T383-G387 PolarHBondContact O-N 2.87Å; T383-F582 HydrophobicContact CG2-CE2 3.59Å; T383-F582 HydrophobicContact CG2-CZ 3.95Å; T383-L586 HydrophobicContact CG2-CD1 3.97Å
384	A	74.3	Confident	75	Confident	10 Å²	10	66.4 Å²	66.4	8%	0.083	38%	0.38	C	S	.	.	H	α-helix	trans	-57.7	-43	169.1	0	0	0	0	0	111.1	I380 T381 L386 G387 E589	I380-A384 PolarHBondContact O-N 3.34Å; T381-A384 PolarHBondContact O-N 2.69Å; A384-L386 PolarHBondContact O-N 3.3Å; A384-G387 WeakPolarHBondContact O-CA 3.49Å; A384-G387 PolarHBondContact O-N 2.6Å; A384-G387 VanDerWaalsContact O-N 3.09Å; A384-E589 HydrophobicContact CB-CB 4.12Å; A384-E589 HydrophobicContact CB-CG 4.02Å
385	M	73.5	Confident	73.2	Confident	108 Å²	108	67.8 Å²	67.8	53%	0.532	39%	0.393	S	S	.	.	H	α-helix	trans	-66.3	-31.3	174.4	-67	-74.8	145.2	0	0	113.4	T381 L382 T383 G387 I388	T381-M385 VanDerWaalsContact O-CG 3.23Å; T381-M385 WeakPolarHBondContact O-CG 3.4Å; T381-M385 PolarHBondContact O-N 3.01Å; L382-M385 PolarHBondContact O-N 3.17Å; T383-M385 VanDerWaalsContact C-N 3.29Å; T383-M385 PolarHBondContact O-N 2.97Å; M385-G387 VanDerWaalsContact C-N 3.29Å; M385-I388 HydrophobicContact CB-CD1 4.42Å; M385-I388 WeakPolarHBondContact O-CB 3.36Å; M385-I388 WeakPolarHBondContact O-CG1 3.24Å; M385-I388 PolarHBondContact O-N 3.33Å; M385-I388 HydrophobicContact SD-CD1 3.6Å; M385-I388 VanDerWaalsContact SD-CD1 3.6Å
386	L	67.3	Low	71.5	Confident	110 Å²	110	68.4 Å²	68.4	58%	0.576	40%	0.4	S	S	*	.	H	α-helix	trans	-69.7	-26.8	171.8	-75.4	170.2	0	0	0	112.5	L382 T383 A384 I388 V389 V390	L382-L386 WeakPolarHBondContact O-CG 3.43Å; L382-L386 PolarHBondContact O-N 2.83Å; T383-L386 WeakPolarHBondContact O-CB 3.4Å; T383-L386 PolarHBondContact O-N 3.36Å; T383-L386 VanDerWaalsContact O-N 3.13Å; A384-L386 PolarHBondContact O-N 3.3Å; L386-I388 PolarHBondContact O-N 3.46Å; L386-V389 WeakPolarHBondContact O-CB 3.36Å; L386-V389 PolarHBondContact O-N 2.87Å; L386-V390 PolarHBondContact O-N 3.47Å
387	G	63.3	Low	70.1	Confident	10 Å²	10	71.8 Å²	71.8	10%	0.103	42%	0.419	C	S	.	.	H	α-helix	trans	-53.9	-32.3	168.9	0	0	0	0	0	112.6	T383 A384 M385 V389 V390 L391	T383-G387 PolarHBondContact O-N 2.87Å; A384-G387 WeakPolarHBondContact O-CA 3.49Å; A384-G387 PolarHBondContact O-N 2.6Å; A384-G387 VanDerWaalsContact O-N 3.09Å; M385-G387 VanDerWaalsContact C-N 3.29Å; G387-V389 VanDerWaalsContact C-N 3.31Å; G387-V389 PolarHBondContact O-N 3.12Å; G387-V390 WeakPolarHBondContact O-CB 3.42Å; G387-V390 PolarHBondContact O-N 3.15Å; G387-V390 VanDerWaalsContact O-N 3.17Å; G387-L391 WeakPolarHBondContact O-CG 3.28Å; G387-L391 PolarHBondContact O-N 3.03Å; G387-L391 VanDerWaalsContact O-N 3.09Å
388	I	64.4	Low	68.7	Low	43 Å²	43	74.5 Å²	74.5	22%	0.221	43%	0.433	C	S	.	.	H	α-helix	trans	-61.4	-37.8	174.9	-54.4	172.1	0	0	0	111.4	M385 L386 V390 L391 L392 F593	M385-I388 HydrophobicContact CB-CD1 4.42Å; M385-I388 WeakPolarHBondContact O-CB 3.36Å; M385-I388 WeakPolarHBondContact O-CG1 3.24Å; M385-I388 PolarHBondContact O-N 3.33Å; M385-I388 HydrophobicContact SD-CD1 3.6Å; M385-I388 VanDerWaalsContact SD-CD1 3.6Å; L386-I388 PolarHBondContact O-N 3.46Å; I388-V390 VanDerWaalsContact C-N 3.32Å; I388-V390 PolarHBondContact O-N 3.48Å; I388-L391 PolarHBondContact O-N 3.22Å; I388-L392 HydrophobicContact CG2-CD1 4.22Å; I388-L392 HydrophobicContact CG2-CG 4.48Å; I388-L392 WeakPolarHBondContact O-CG 3.23Å; I388-L392 PolarHBondContact O-N 3.04Å; I388-F593 HydrophobicContact CG1-CD2 4.45Å; I388-F593 HydrophobicContact CG2-CE1 4.02Å; I388-F593 HydrophobicContact CG2-CE2 4.17Å; I388-F593 HydrophobicContact CG2-CZ 3.75Å
389	V	62.3	Low	67.4	Low	90 Å²	90	74 Å²	74	55%	0.545	44%	0.435	S	S	.	.	H	α-helix	trans	-67.5	-35.6	178.3	-179	0	0	0	0	111	L386 G387 L391 L392 C393	L386-V389 WeakPolarHBondContact O-CB 3.36Å; L386-V389 PolarHBondContact O-N 2.87Å; G387-V389 VanDerWaalsContact C-N 3.31Å; G387-V389 PolarHBondContact O-N 3.12Å; V389-L391 VanDerWaalsContact C-N 3.34Å; V389-L392 PolarHBondContact O-N 3.43Å; V389-C393 PolarHBondContact O-N 3.07Å
390	V	61.6	Low	66.3	Low	99 Å²	99	71.5 Å²	71.5	60%	0.6	42%	0.42	S	S	*	.	H	α-helix	trans	-66.1	-38	174.5	-180	0	0	0	0	110.7	L386 G387 I388 C393	L386-V390 PolarHBondContact O-N 3.47Å; G387-V390 WeakPolarHBondContact O-CB 3.42Å; G387-V390 PolarHBondContact O-N 3.15Å; G387-V390 VanDerWaalsContact O-N 3.17Å; I388-V390 VanDerWaalsContact C-N 3.32Å; I388-V390 PolarHBondContact O-N 3.48Å; V390-C393 WeakPolarHBondContact O-CB 3.29Å; V390-C393 PolarHBondContact O-N 3.42Å
391	L	59.3	Low	65	Low	14 Å²	14	73 Å²	73	7%	0.073	43%	0.427	C	S	.	.	H	α-helix	trans	-72.8	-31.6	175.2	-61.5	176.8	0	0	0	113.5	G387 I388 V389 C393 T394 F400 L590 F593	G387-L391 WeakPolarHBondContact O-CG 3.28Å; G387-L391 PolarHBondContact O-N 3.03Å; G387-L391 VanDerWaalsContact O-N 3.09Å; I388-L391 PolarHBondContact O-N 3.22Å; V389-L391 VanDerWaalsContact C-N 3.34Å; L391-C393 PolarHBondContact O-N 3.23Å; L391-T394 WeakPolarHBondContact O-CB 3.08Å; L391-T394 PolarHBondContact O-OG1 3.19Å; L391-F400 HydrophobicContact CD2-CD2 3.97Å; L391-F400 HydrophobicContact CD2-CE2 3.48Å; L391-F400 VanDerWaalsContact CD2-CE2 3.48Å; L391-L590 HydrophobicContact CD1-CG 3.97Å; L391-L590 HydrophobicContact CD2-CD1 4.04Å; L391-L590 HydrophobicContact CD2-CD2 3.87Å; L391-L590 HydrophobicContact CD2-CG 3.74Å; L391-L590 HydrophobicContact CG-CD1 4.26Å; L391-L590 HydrophobicContact CG-CG 4.04Å; L391-F593 HydrophobicContact CD1-CB 4.28Å; L391-F593 HydrophobicContact CD1-CD1 3.49Å; L391-F593 VanDerWaalsContact CD1-CD1 3.49Å; L391-F593 HydrophobicContact CD1-CE1 4.26Å; L391-F593 HydrophobicContact CD1-CG 4.27Å
392	L	60.3	Low	64	Low	99 Å²	99	76.6 Å²	76.6	52%	0.518	44%	0.441	S	S	.	.	H	α-helix	trans	-70.3	-19.4	172.6	-70.8	170.5	0	0	0	112.2	I388 V389 T394 I609	I388-L392 HydrophobicContact CG2-CD1 4.22Å; I388-L392 HydrophobicContact CG2-CG 4.48Å; I388-L392 WeakPolarHBondContact O-CG 3.23Å; I388-L392 PolarHBondContact O-N 3.04Å; V389-L392 PolarHBondContact O-N 3.43Å; L392-T394 PolarHBondContact O-N 3.48Å; L392-I609 HydrophobicContact CD2-CG2 4.11Å
393	C	57.6	Low	63.1	Low	105 Å²	105	74.1 Å²	74.1	71%	0.709	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	32.4	174.6	-139.4	0	0	0	0	113.2	V389 V390 L391 S395	V389-C393 PolarHBondContact O-N 3.07Å; V390-C393 WeakPolarHBondContact O-CB 3.29Å; V390-C393 PolarHBondContact O-N 3.42Å; L391-C393 PolarHBondContact O-N 3.23Å; C393-S395 VanDerWaalsContact C-N 3.32Å; C393-S395 PolarHBondContact O-N 3.38Å
394	T	59	Low	62.5	Low	68 Å²	68	73 Å²	73	42%	0.417	42%	0.424	S	S	.	.			trans	-83.5	70.6	-175.6	-61.3	0	0	0	0	112.1	L391 L392	L391-T394 WeakPolarHBondContact O-CB 3.08Å; L391-T394 PolarHBondContact O-OG1 3.19Å; L392-T394 PolarHBondContact O-N 3.48Å
395	S	52.9	Low	62	Low	120 Å²	120	77.7 Å²	77.7	84%	0.839	45%	0.445	S	S	*	.	S	Bend	trans	-89.4	0.4	160.8	-69.3	0	0	0	0	112.8	C393	C393-S395 VanDerWaalsContact C-N 3.32Å; C393-S395 PolarHBondContact O-N 3.38Å
396	C	55.4	Low	61.6	Low	75 Å²	75	78.7 Å²	78.7	51%	0.507	45%	0.446	S	S	.	.			trans	-139.8	95.9	-174.3	-71.1	0	0	0	0	112.3	N398 V399 F400	C396-N398 VanDerWaalsContact C-N 3.28Å; C396-N398 PolarHBondContact O-N 3.13Å; C396-V399 HydrophobicContact CB-CB 4.02Å; C396-V399 HydrophobicContact CB-CG2 3.84Å; C396-V399 PolarHBondContact O-N 2.84Å; C396-F400 PolarHBondContact O-N 3.34Å
397	T	59.1	Low	61.3	Low	87 Å²	87	73.9 Å²	73.9	53%	0.534	42%	0.422	S	S	.	.	H	α-helix	trans	-59.6	-30.2	-179.4	47.5	0	0	0	0	114.4	Q401	T397-Q401 WeakPolarHBondContact O-CG 3.13Å; T397-Q401 PolarHBondContact O-N 3.2Å
398	N	59.3	Low	61.1	Low	123 Å²	123	76.3 Å²	76.3	66%	0.658	43%	0.432	S	S	*	.	H	α-helix	trans	-77.1	-34.8	178.6	-66	-29.1	0	0	0	113	C396 F400 M402	C396-N398 VanDerWaalsContact C-N 3.28Å; C396-N398 PolarHBondContact O-N 3.13Å; N398-F400 VanDerWaalsContact C-N 3.35Å; N398-M402 WeakPolarHBondContact O-CG 3.26Å; N398-M402 PolarHBondContact O-N 3.24Å
399	V	62.4	Low	60.7	Low	89 Å²	89	77.9 Å²	77.9	54%	0.539	45%	0.447	S	S	.	.	H	α-helix	trans	-69	-41.1	177.1	177.1	0	0	0	0	109.3	C396 Q401 M402 S403	C396-V399 HydrophobicContact CB-CB 4.02Å; C396-V399 HydrophobicContact CB-CG2 3.84Å; C396-V399 PolarHBondContact O-N 2.84Å; V399-Q401 PolarHBondContact O-N 3.45Å; V399-M402 PolarHBondContact O-N 2.91Å; V399-S403 WeakPolarHBondContact O-CB 3.26Å; V399-S403 PolarHBondContact O-N 3.13Å; V399-S403 PolarHBondContact O-OG 3.15Å
400	F	66	Low	60.6	Low	42 Å²	42	76.7 Å²	76.7	18%	0.184	44%	0.436	C	S	.	.	H	α-helix	trans	-55.9	-46.9	175	-180	-97.7	0	0	0	112.8	L391 C396 N398 S403 I404 A594	L391-F400 HydrophobicContact CD2-CD2 3.97Å; L391-F400 HydrophobicContact CD2-CE2 3.48Å; L391-F400 VanDerWaalsContact CD2-CE2 3.48Å; C396-F400 PolarHBondContact O-N 3.34Å; N398-F400 VanDerWaalsContact C-N 3.35Å; F400-S403 PolarHBondContact O-N 3.38Å; F400-I404 HydrophobicContact CD1-CG1 4.33Å; F400-I404 HydrophobicContact CE1-CG1 4.02Å; F400-I404 HydrophobicContact CE2-CD1 4.45Å; F400-I404 HydrophobicContact CE2-CG1 4.31Å; F400-I404 HydrophobicContact CZ-CD1 4.17Å; F400-I404 HydrophobicContact CZ-CG1 4.01Å; F400-I404 VanDerWaalsContact O-CG1 3.27Å; F400-I404 WeakPolarHBondContact O-CG1 3.47Å; F400-I404 PolarHBondContact O-N 3.23Å; F400-A594 HydrophobicContact CZ-CB 3.91Å
401	Q	61.8	Low	60.3	Low	43 Å²	43	72.6 Å²	72.6	20%	0.201	41%	0.413	C	S	.	.	H	α-helix	trans	-63.7	-42.3	178.4	-71.8	-78.9	-43.7	0	0	112.5	T397 V399 Q405 L502	T397-Q401 WeakPolarHBondContact O-CG 3.13Å; T397-Q401 PolarHBondContact O-N 3.2Å; V399-Q401 PolarHBondContact O-N 3.45Å; Q401-Q405 WeakPolarHBondContact O-CB 3.26Å; Q401-Q405 PolarHBondContact O-N 2.93Å; Q401-L502 VanDerWaalsContact OE1-CD1 3.23Å
402	M	63.7	Low	60.1	Low	135 Å²	135	76.1 Å²	76.1	67%	0.665	43%	0.434	S	S	*	.	H	α-helix	trans	-66.2	-38.9	176	-67.1	-66.6	-72	0	0	111.8	N398 V399 F406	N398-M402 WeakPolarHBondContact O-CG 3.26Å; N398-M402 PolarHBondContact O-N 3.24Å; V399-M402 PolarHBondContact O-N 2.91Å; M402-F406 VanDerWaalsContact O-CB 3.26Å; M402-F406 WeakPolarHBondContact O-CB 3.33Å; M402-F406 PolarHBondContact O-N 2.89Å
403	S	63.3	Low	59.6	Low	46 Å²	46	73.6 Å²	73.6	32%	0.322	43%	0.433	S	S	.	.	H	α-helix	trans	-65.8	-45.2	176.9	-63.7	0	0	0	0	112	V399 F400 Q405 F406 C407	V399-S403 WeakPolarHBondContact O-CB 3.26Å; V399-S403 PolarHBondContact O-N 3.13Å; V399-S403 PolarHBondContact O-OG 3.15Å; F400-S403 PolarHBondContact O-N 3.38Å; S403-Q405 PolarHBondContact O-N 3.04Å; S403-F406 PolarHBondContact O-N 3.38Å; S403-C407 WeakPolarHBondContact O-CB 3.43Å; S403-C407 PolarHBondContact O-N 2.78Å; S403-C407 PolarHBondContact O-SG 3.06Å
404	I	66.6	Low	59.4	Low	16 Å²	16	69.6 Å²	69.6	8%	0.082	41%	0.405	C	S	.	.	H	α-helix	trans	-62.1	-44.9	176.8	-68.7	-78.8	0	0	0	110.6	F400 F406 C407 I408 L502 L590 A594	F400-I404 HydrophobicContact CD1-CG1 4.33Å; F400-I404 HydrophobicContact CE1-CG1 4.02Å; F400-I404 HydrophobicContact CE2-CD1 4.45Å; F400-I404 HydrophobicContact CE2-CG1 4.31Å; F400-I404 HydrophobicContact CZ-CD1 4.17Å; F400-I404 HydrophobicContact CZ-CG1 4.01Å; F400-I404 VanDerWaalsContact O-CG1 3.27Å; F400-I404 WeakPolarHBondContact O-CG1 3.47Å; F400-I404 PolarHBondContact O-N 3.23Å; I404-F406 VanDerWaalsContact C-N 3.34Å; I404-F406 PolarHBondContact O-N 2.87Å; I404-C407 WeakPolarHBondContact O-CB 3.35Å; I404-C407 PolarHBondContact O-N 3.01Å; I404-I408 HydrophobicContact CG2-CD1 3.8Å; I404-I408 HydrophobicContact CG2-CG1 4.45Å; I404-I408 VanDerWaalsContact O-CG1 3.31Å; I404-I408 WeakPolarHBondContact O-CG1 3.33Å; I404-I408 PolarHBondContact O-N 3.32Å; I404-L502 HydrophobicContact CG2-CD1 4.49Å; I404-L590 HydrophobicContact CD1-CD2 3.36Å; I404-L590 HydrophobicContact CG1-CD2 4.29Å; I404-A594 HydrophobicContact CD1-CB 3.93Å
405	Q	62	Low	59.2	Low	109 Å²	109	69.4 Å²	69.4	51%	0.509	40%	0.402	S	S	.	.	H	α-helix	trans	-67.1	-35.7	179.4	-169.3	168.3	5.4	0	0	112.6	Q401 S403 S409	Q401-Q405 WeakPolarHBondContact O-CB 3.26Å; Q401-Q405 PolarHBondContact O-N 2.93Å; S403-Q405 PolarHBondContact O-N 3.04Å; Q405-S409 WeakPolarHBondContact O-CB 3.5Å; Q405-S409 PolarHBondContact O-N 3.3Å; Q405-S409 PolarHBondContact O-OG 2.81Å
406	F	65.6	Low	59.3	Low	129 Å²	129	67.2 Å²	67.2	57%	0.566	38%	0.383	S	S	*	.	H	α-helix	trans	-64.8	-45.3	171.5	173.8	-103.3	0	0	0	111.7	M402 S403 I404 S409 M410	M402-F406 VanDerWaalsContact O-CB 3.26Å; M402-F406 WeakPolarHBondContact O-CB 3.33Å; M402-F406 PolarHBondContact O-N 2.89Å; S403-F406 PolarHBondContact O-N 3.38Å; I404-F406 VanDerWaalsContact C-N 3.34Å; I404-F406 PolarHBondContact O-N 2.87Å; F406-S409 PolarHBondContact O-N 3.48Å; F406-M410 HydrophobicContact CD1-CE 4.23Å; F406-M410 HydrophobicContact CE1-CE 3.24Å; F406-M410 HydrophobicContact CE2-CE 4.13Å; F406-M410 HydrophobicContact CZ-CE 3.19Å; F406-M410 VanDerWaalsContact O-CB 3.31Å; F406-M410 WeakPolarHBondContact O-CB 3.43Å; F406-M410 PolarHBondContact O-N 2.88Å
407	C	61.5	Low	59.2	Low	10 Å²	10	64.8 Å²	64.8	7%	0.068	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-51.1	174.9	-74.6	0	0	0	0	111.1	S403 I404 S409 M410 A411 P587 L590	S403-C407 WeakPolarHBondContact O-CB 3.43Å; S403-C407 PolarHBondContact O-N 2.78Å; S403-C407 PolarHBondContact O-SG 3.06Å; I404-C407 WeakPolarHBondContact O-CB 3.35Å; I404-C407 PolarHBondContact O-N 3.01Å; C407-S409 VanDerWaalsContact C-N 3.29Å; C407-S409 PolarHBondContact O-N 3.1Å; C407-M410 WeakPolarHBondContact O-CB 3.36Å; C407-M410 PolarHBondContact O-N 3.34Å; C407-M410 VanDerWaalsContact O-N 3.1Å; C407-A411 PolarHBondContact O-N 3.21Å; C407-P587 HydrophobicContact CB-CB 3.71Å; C407-P587 HydrophobicContact CB-CG 4.25Å; C407-P587 WeakPolarHBondContact O-CB 3.49Å; C407-L590 HydrophobicContact CB-CD2 4.41Å
408	I	58.8	Low	59.2	Low	61 Å²	61	61.7 Å²	61.7	31%	0.313	35%	0.351	S	S	.	.	H	α-helix	trans	-56.9	-44.7	177.4	-67.2	165.6	0	0	0	111	I404 M410 A411 V412	I404-I408 HydrophobicContact CG2-CD1 3.8Å; I404-I408 HydrophobicContact CG2-CG1 4.45Å; I404-I408 VanDerWaalsContact O-CG1 3.31Å; I404-I408 WeakPolarHBondContact O-CG1 3.33Å; I404-I408 PolarHBondContact O-N 3.32Å; I408-M410 VanDerWaalsContact C-N 3.34Å; I408-M410 PolarHBondContact O-N 3.48Å; I408-A411 PolarHBondContact O-N 3Å; I408-V412 WeakPolarHBondContact O-CG2 3.33Å; I408-V412 PolarHBondContact O-N 2.88Å
409	S	56.3	Low	59.1	Low	76 Å²	76	57.6 Å²	57.6	53%	0.531	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-37.2	179	-55.2	0	0	0	0	112.2	Q405 F406 C407 G413	Q405-S409 WeakPolarHBondContact O-CB 3.5Å; Q405-S409 PolarHBondContact O-N 3.3Å; Q405-S409 PolarHBondContact O-OG 2.81Å; F406-S409 PolarHBondContact O-N 3.48Å; C407-S409 VanDerWaalsContact C-N 3.29Å; C407-S409 PolarHBondContact O-N 3.1Å; S409-G413 PolarHBondContact O-N 3.25Å; S409-G413 VanDerWaalsContact O-N 3.12Å
410	M	60.3	Low	58.7	Low	65 Å²	65	58.3 Å²	58.3	32%	0.32	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-48.6	175	-177.2	-179.1	-72.8	0	0	110.6	F406 C407 I408 V412 G413 S414 P587	F406-M410 HydrophobicContact CD1-CE 4.23Å; F406-M410 HydrophobicContact CE1-CE 3.24Å; F406-M410 HydrophobicContact CE2-CE 4.13Å; F406-M410 HydrophobicContact CZ-CE 3.19Å; F406-M410 VanDerWaalsContact O-CB 3.31Å; F406-M410 WeakPolarHBondContact O-CB 3.43Å; F406-M410 PolarHBondContact O-N 2.88Å; C407-M410 WeakPolarHBondContact O-CB 3.36Å; C407-M410 PolarHBondContact O-N 3.34Å; C407-M410 VanDerWaalsContact O-N 3.1Å; I408-M410 VanDerWaalsContact C-N 3.34Å; I408-M410 PolarHBondContact O-N 3.48Å; M410-V412 PolarHBondContact O-N 2.83Å; M410-G413 PolarHBondContact O-N 3.28Å; M410-S414 PolarHBondContact O-N 2.87Å; M410-S414 PolarHBondContact O-OG 3.31Å; M410-P587 HydrophobicContact CB-CG 4.07Å; M410-P587 HydrophobicContact CG-CG 4.05Å; M410-P587 HydrophobicContact SD-CG 3.85Å
411	A	55	Low	58.3	Low	13 Å²	13	63.2 Å²	63.2	11%	0.107	36%	0.363	C	S	.	.	H	α-helix	trans	-57.4	-48.9	178.2	0	0	0	0	0	112.3	C407 I408 G413 S414 L415 P587	C407-A411 PolarHBondContact O-N 3.21Å; I408-A411 PolarHBondContact O-N 3Å; A411-G413 VanDerWaalsContact C-N 3.29Å; A411-G413 PolarHBondContact O-N 3.5Å; A411-S414 PolarHBondContact O-N 3.08Å; A411-S414 PolarHBondContact O-OG 3.49Å; A411-L415 VanDerWaalsContact O-CB 3.27Å; A411-L415 WeakPolarHBondContact O-CB 3.37Å; A411-L415 VanDerWaalsContact O-CG 3.22Å; A411-L415 WeakPolarHBondContact O-CG 3.47Å; A411-L415 PolarHBondContact O-N 3.22Å; A411-P587 HydrophobicContact CB-CB 3.84Å; A411-P587 HydrophobicContact CB-CG 4.49Å
412	V	54.5	Low	57.8	Low	87 Å²	87	63.2 Å²	63.2	53%	0.527	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-41.8	178.1	172.9	0	0	0	0	110.8	I408 M410 T416	I408-V412 WeakPolarHBondContact O-CG2 3.33Å; I408-V412 PolarHBondContact O-N 2.88Å; M410-V412 PolarHBondContact O-N 2.83Å; V412-T416 VanDerWaalsContact O-CB 3.24Å; V412-T416 WeakPolarHBondContact O-CB 3.06Å; V412-T416 PolarHBondContact O-N 2.86Å; V412-T416 VanDerWaalsContact O-N 3.13Å; V412-T416 PolarHBondContact O-OG1 3.13Å
413	G	49.6	Very low	57.5	Low	47 Å²	47	59.9 Å²	59.9	49%	0.485	35%	0.347	S	S	.	.	H	α-helix	trans	-67.3	-43.2	178.5	0	0	0	0	0	113.5	S409 M410 A411 G417	S409-G413 PolarHBondContact O-N 3.25Å; S409-G413 VanDerWaalsContact O-N 3.12Å; M410-G413 PolarHBondContact O-N 3.28Å; A411-G413 VanDerWaalsContact C-N 3.29Å; A411-G413 PolarHBondContact O-N 3.5Å; G413-G417 WeakPolarHBondContact O-CA 3.48Å; G413-G417 PolarHBondContact O-N 3.13Å
414	S	55	Low	57.5	Low	20 Å²	20	59.7 Å²	59.7	14%	0.14	34%	0.342	C	S	.	.	H	α-helix	trans	-74.6	-41.3	-179.8	48.9	0	0	0	0	112.4	M410 A411 G417 D418 C583 H584	M410-S414 PolarHBondContact O-N 2.87Å; M410-S414 PolarHBondContact O-OG 3.31Å; A411-S414 PolarHBondContact O-N 3.08Å; A411-S414 PolarHBondContact O-OG 3.49Å; S414-G417 PolarHBondContact O-N 3.21Å; S414-D418 VanDerWaalsContact O-CB 3.26Å; S414-D418 WeakPolarHBondContact O-CB 3.18Å; S414-D418 PolarHBondContact O-N 3.33Å; S414-C583 PolarHBondContact OG-O 3.28Å; S414-H584 WeakPolarHBondContact OG-CA 3.22Å; S414-H584 VanDerWaalsContact OG-CB 3.25Å; S414-H584 WeakPolarHBondContact OG-CB 3Å; S414-H584 PolarHBondContact OG-N 3.32Å
415	L	55	Low	57.1	Low	64 Å²	64	60.6 Å²	60.6	34%	0.335	35%	0.349	S	S	.	.	H	α-helix	trans	-63.5	-46.2	175.9	-70.8	169.1	0	0	0	111.8	A411 G417 A419 H584	A411-L415 VanDerWaalsContact O-CB 3.27Å; A411-L415 WeakPolarHBondContact O-CB 3.37Å; A411-L415 VanDerWaalsContact O-CG 3.22Å; A411-L415 WeakPolarHBondContact O-CG 3.47Å; A411-L415 PolarHBondContact O-N 3.22Å; L415-G417 VanDerWaalsContact C-N 3.35Å; L415-A419 VanDerWaalsContact O-CB 3.29Å; L415-A419 WeakPolarHBondContact O-CB 3.33Å; L415-A419 PolarHBondContact O-N 2.95Å; L415-H584 HydrophobicContact CD1-CB 4.5Å; L415-H584 HydrophobicContact CD2-CB 3.83Å; L415-H584 WeakPolarHBondContact CD2-ND1 3.44Å; L415-H584 HydrophobicContact CG-CB 3.73Å
416	T	54.1	Low	56.8	Low	74 Å²	74	58.7 Å²	58.7	45%	0.454	34%	0.341	S	S	.	.	H	α-helix	trans	-68.8	-37.7	177.5	-50.7	0	0	0	0	111	V412 L420	V412-T416 VanDerWaalsContact O-CB 3.24Å; V412-T416 WeakPolarHBondContact O-CB 3.06Å; V412-T416 PolarHBondContact O-N 2.86Å; V412-T416 VanDerWaalsContact O-N 3.13Å; V412-T416 PolarHBondContact O-OG1 3.13Å; T416-L420 HydrophobicContact CG2-CD1 3.82Å; T416-L420 HydrophobicContact CG2-CG 4.33Å; T416-L420 WeakPolarHBondContact O-CB 3.25Å; T416-L420 VanDerWaalsContact O-CG 3.27Å; T416-L420 WeakPolarHBondContact O-CG 3.38Å; T416-L420 PolarHBondContact O-N 3.35Å
417	G	52.8	Low	56.4	Low	25 Å²	25	56.3 Å²	56.3	26%	0.258	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-47.3	177.4	0	0	0	0	0	113.1	G413 S414 L415 L420 L421	G413-G417 WeakPolarHBondContact O-CA 3.48Å; G413-G417 PolarHBondContact O-N 3.13Å; S414-G417 PolarHBondContact O-N 3.21Å; L415-G417 VanDerWaalsContact C-N 3.35Å; G417-L420 PolarHBondContact O-N 3.17Å; G417-L421 VanDerWaalsContact O-CB 3.25Å; G417-L421 WeakPolarHBondContact O-CB 3.15Å; G417-L421 PolarHBondContact O-N 3.08Å
418	D	58.8	Low	56.3	Low	21 Å²	21	58.1 Å²	58.1	11%	0.112	34%	0.342	C	S	.	.	H	α-helix	trans	-63.9	-44.7	177.4	-174.7	53.1	0	0	0	110.9	S414 L420 H422 L423 A580	S414-D418 VanDerWaalsContact O-CB 3.26Å; S414-D418 WeakPolarHBondContact O-CB 3.18Å; S414-D418 PolarHBondContact O-N 3.33Å; D418-L420 PolarHBondContact O-N 3.43Å; D418-H422 CarbonylContact O-C 3.5Å; D418-H422 WeakPolarHBondContact O-CA 3.46Å; D418-H422 VanDerWaalsContact O-CB 3.32Å; D418-H422 WeakPolarHBondContact O-CB 3.21Å; D418-H422 PolarHBondContact O-N 3.31Å; D418-H422 WeakPolarHBondContact OD1-CB 3.2Å; D418-H422 IonicContact OD1-CG 3.92Å; D418-H422 IonicContact OD1-ND1 3.71Å; D418-H422 PolarHBondContact OD1-ND1 3.22Å; D418-L423 PolarHBondContact O-N 3.27Å; D418-A580 HydrophobicContact CB-CB 4.3Å
419	A	57.2	Low	56	Low	38 Å²	38	56.7 Å²	56.7	31%	0.314	34%	0.342	S	S	.	.	I	π-helix	trans	-58.6	-49.1	175.3	0	0	0	0	0	112.7	L415 I424	L415-A419 VanDerWaalsContact O-CB 3.29Å; L415-A419 WeakPolarHBondContact O-CB 3.33Å; L415-A419 PolarHBondContact O-N 2.95Å; A419-I424 WeakPolarHBondContact O-CB 3.43Å; A419-I424 WeakPolarHBondContact O-CG1 3.38Å; A419-I424 PolarHBondContact O-N 3.18Å
420	L	56	Low	55.8	Low	103 Å²	103	59.2 Å²	59.2	54%	0.539	35%	0.348	S	S	.	.	I	π-helix	trans	-80.4	-39.3	-173.5	-68.8	179.4	0	0	0	114.2	T416 G417 D418 I424 P425	T416-L420 HydrophobicContact CG2-CD1 3.82Å; T416-L420 HydrophobicContact CG2-CG 4.33Å; T416-L420 WeakPolarHBondContact O-CB 3.25Å; T416-L420 VanDerWaalsContact O-CG 3.27Å; T416-L420 WeakPolarHBondContact O-CG 3.38Å; T416-L420 PolarHBondContact O-N 3.35Å; G417-L420 PolarHBondContact O-N 3.17Å; D418-L420 PolarHBondContact O-N 3.43Å; L420-I424 HydrophobicContact CD2-CD1 3.95Å; L420-P425 WeakPolarHBondContact O-CD 3.43Å
421	L	56.3	Low	55	Low	146 Å²	146	63.6 Å²	63.6	76%	0.764	37%	0.368	S	S	*	.	I	π-helix	trans	-99.2	-18.2	-170.7	-59.6	177.8	0	0	0	113.1	G417	G417-L421 VanDerWaalsContact O-CB 3.25Å; G417-L421 WeakPolarHBondContact O-CB 3.15Å; G417-L421 PolarHBondContact O-N 3.08Å
422	H	51.7	Low	54.1	Low	43 Å²	43	68 Å²	68	20%	0.199	39%	0.393	C	S	.	.	I	π-helix	trans	-123.4	-55.3	-172.5	-176.4	-115.3	0	0	0	112.1	D418 M426 T577	D418-H422 CarbonylContact O-C 3.5Å; D418-H422 WeakPolarHBondContact O-CA 3.46Å; D418-H422 VanDerWaalsContact O-CB 3.32Å; D418-H422 WeakPolarHBondContact O-CB 3.21Å; D418-H422 PolarHBondContact O-N 3.31Å; D418-H422 WeakPolarHBondContact OD1-CB 3.2Å; D418-H422 IonicContact OD1-CG 3.92Å; D418-H422 IonicContact OD1-ND1 3.71Å; D418-H422 PolarHBondContact OD1-ND1 3.22Å; H422-M426 WeakPolarHBondContact NE2-CE 3.46Å; H422-M426 WeakPolarHBondContact O-CB 3.49Å; H422-M426 PolarHBondContact O-N 2.94Å; H422-T577 PolarHBondContact CE1-OG1 2.98Å
423	L	57.9	Low	53.3	Low	64 Å²	64	71.9 Å²	71.9	34%	0.335	41%	0.405	S	S	.	.	I	π-helix	trans	-73.7	-46.8	-177.5	-62.5	176.7	0	0	0	113.6	D418 M426 I427	D418-L423 PolarHBondContact O-N 3.27Å; L423-M426 PolarHBondContact O-N 3Å; L423-I427 WeakPolarHBondContact O-CD1 3.45Å; L423-I427 VanDerWaalsContact O-CG1 3.26Å; L423-I427 WeakPolarHBondContact O-CG1 3.48Å; L423-I427 PolarHBondContact O-N 3.07Å
424	I	62.9	Low	52.8	Low	43 Å²	43	75.1 Å²	75.1	22%	0.221	42%	0.416	C	S	.	.	H	α-helix	trans	-63.3	-49.2	180	-75.6	170.8	0	0	0	112.2	A419 L420 M426 I427 L428 M458	A419-I424 WeakPolarHBondContact O-CB 3.43Å; A419-I424 WeakPolarHBondContact O-CG1 3.38Å; A419-I424 PolarHBondContact O-N 3.18Å; L420-I424 HydrophobicContact CD2-CD1 3.95Å; I424-M426 VanDerWaalsContact C-N 3.29Å; I424-M426 PolarHBondContact O-N 2.67Å; I424-I427 PolarHBondContact O-N 3.38Å; I424-L428 HydrophobicContact CG2-CD1 3.68Å; I424-L428 HydrophobicContact CG2-CG 4.39Å; I424-L428 WeakPolarHBondContact O-CB 3.34Å; I424-L428 VanDerWaalsContact O-CG 3.26Å; I424-L428 WeakPolarHBondContact O-CG 3.44Å; I424-L428 PolarHBondContact O-N 3.18Å; I424-M458 HydrophobicContact CG2-CE 3.7Å
425	P	57.5	Low	51.9	Low	35 Å²	35	83.3 Å²	83.3	23%	0.227	45%	0.452	C	S	.	.	H	α-helix	trans	-63.5	-33.8	177.1	-24.7	36.9	0	0	0	113.2	L420 G429 I430	L420-P425 WeakPolarHBondContact O-CD 3.43Å; P425-G429 PolarHBondContact O-N 2.99Å; P425-G429 VanDerWaalsContact O-N 3.16Å; P425-I430 PolarHBondContact O-N 3.5Å; P425-I430 VanDerWaalsContact O-N 3.08Å
426	M	57.1	Low	51.2	Low	68 Å²	68	88.6 Å²	88.6	34%	0.335	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-47.2	175.1	-178	-175.2	-64.6	0	0	111.6	H422 L423 I424 L428 G429	H422-M426 WeakPolarHBondContact NE2-CE 3.46Å; H422-M426 WeakPolarHBondContact O-CB 3.49Å; H422-M426 PolarHBondContact O-N 2.94Å; L423-M426 PolarHBondContact O-N 3Å; I424-M426 VanDerWaalsContact C-N 3.29Å; I424-M426 PolarHBondContact O-N 2.67Å; M426-L428 VanDerWaalsContact C-N 3.33Å; M426-L428 PolarHBondContact O-N 2.87Å; M426-G429 PolarHBondContact O-N 3.38Å
427	I	57.2	Low	50.2	Low	79 Å²	79	88.4 Å²	88.4	41%	0.405	49%	0.494	S	S	.	.	H	α-helix	trans	-65.3	-38.4	177.9	-67.6	163.8	0	0	0	111.1	L423 I424 G429 K457	L423-I427 WeakPolarHBondContact O-CD1 3.45Å; L423-I427 VanDerWaalsContact O-CG1 3.26Å; L423-I427 WeakPolarHBondContact O-CG1 3.48Å; L423-I427 PolarHBondContact O-N 3.07Å; I424-I427 PolarHBondContact O-N 3.38Å; I427-G429 PolarHBondContact O-N 3.35Å; I427-K457 HydrophobicContact CG2-CB 3.85Å; I427-K457 HydrophobicContact CG2-CD 4.18Å; I427-K457 HydrophobicContact CG2-CG 4.01Å; I427-K457 VanDerWaalsContact O-CD 3.27Å; I427-K457 WeakPolarHBondContact O-CD 3.48Å; I427-K457 VanDerWaalsContact O-CE 3.31Å; I427-K457 WeakPolarHBondContact O-CE 3.43Å; I427-K457 PolarHBondContact O-NZ 3Å
428	L	59.2	Low	49.4	Very low	48 Å²	48	92.4 Å²	92.4	25%	0.251	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-8.9	177.1	-68.5	169.4	0	0	0	113.9	I424 M426 I430 M458	I424-L428 HydrophobicContact CG2-CD1 3.68Å; I424-L428 HydrophobicContact CG2-CG 4.39Å; I424-L428 WeakPolarHBondContact O-CB 3.34Å; I424-L428 VanDerWaalsContact O-CG 3.26Å; I424-L428 WeakPolarHBondContact O-CG 3.44Å; I424-L428 PolarHBondContact O-N 3.18Å; M426-L428 VanDerWaalsContact C-N 3.33Å; M426-L428 PolarHBondContact O-N 2.87Å; L428-I430 HydrophobicContact CB-CD1 3.93Å; L428-I430 HydrophobicContact CB-CG1 3.89Å; L428-I430 HydrophobicContact CD1-CD1 3.81Å; L428-I430 PolarHBondContact O-N 3.28Å; L428-M458 HydrophobicContact CD1-CE 3.41Å; L428-M458 VanDerWaalsContact CD1-CE 3.41Å; L428-M458 HydrophobicContact CD2-CE 3.48Å; L428-M458 VanDerWaalsContact CD2-CE 3.48Å; L428-M458 HydrophobicContact CD2-CG 4.35Å; L428-M458 HydrophobicContact CG-CE 3.64Å
429	G	52.6	Low	48.3	Very low	32 Å²	32	99.3 Å²	99.3	33%	0.33	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	69.8	17.8	-179.4	0	0	0	0	0	114	P425 M426 I427 H431 V432	P425-G429 PolarHBondContact O-N 2.99Å; P425-G429 VanDerWaalsContact O-N 3.16Å; M426-G429 PolarHBondContact O-N 3.38Å; I427-G429 PolarHBondContact O-N 3.35Å; G429-H431 PolarHBondContact O-N 3.49Å; G429-V432 PolarHBondContact O-N 3.37Å
430	I	50.8	Low	47.1	Very low	128 Å²	128	100.3 Å²	100.3	66%	0.656	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-16.2	178.7	-61.1	173	0	0	0	110.6	P425 L428	P425-I430 PolarHBondContact O-N 3.5Å; P425-I430 VanDerWaalsContact O-N 3.08Å; L428-I430 HydrophobicContact CB-CD1 3.93Å; L428-I430 HydrophobicContact CB-CG1 3.89Å; L428-I430 HydrophobicContact CD1-CD1 3.81Å; L428-I430 PolarHBondContact O-N 3.28Å
431	H	43.8	Very low	46.2	Very low	158 Å²	158	105.1 Å²	105.1	73%	0.731	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	59.2	172	-142	11	0	0	0	112.2	G429	G429-H431 PolarHBondContact O-N 3.49Å
432	V	36.5	Very low	45.1	Very low	106 Å²	106	106.2 Å²	106.2	64%	0.642	59%	0.589	S	S	*	*			trans	-112.5	102.5	164.1	175.4	0	0	0	0	107.6	G429 T434	G429-V432 PolarHBondContact O-N 3.37Å; V432-T434 PolarHBondContact O-N 3.36Å
433	H	37.3	Very low	44.3	Very low	168 Å²	168	113.6 Å²	113.6	78%	0.778	62%	0.623	S	S	*	*			trans	-74.9	116.8	146.7	-75.9	-66.2	0	0	0	106.1
434	T	39.7	Very low	43.3	Very low	115 Å²	115	115.5 Å²	115.5	71%	0.706	64%	0.642	S	S	*	*			trans	-25.1	127.6	164.9	46.9	0	0	0	0	114	V432	V432-T434 PolarHBondContact O-N 3.36Å
435	E	35.8	Very low	41.9	Very low	192 Å²	192	118.3 Å²	118.3	90%	0.897	67%	0.666	S	S	*	*				-168.1	119.1	122.8	-100.9	174.5	-161.6	0	0	110
436	D	40.1	Very low	40.6	Very low	174 Å²	174	123.4 Å²	123.4	93%	0.93	69%	0.691	S	S	*	*			trans	-57.9	156.9	172.8	-61.5	-61.9	0	0	0	111.4
437	G	33.6	Very low	39.9	Very low	71 Å²	71	129.5 Å²	129.5	73%	0.732	72%	0.718	S	S	*	*			cis	160.6	130.7	4.5	0	0	0	0	0	108
438	S	34.5	Very low	38.7	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	74%	0.737	S	S	*	*			trans	-171.9	133	153.7	56.2	0	0	0	0	112.3
439	D	37.3	Very low	37.7	Very low	166 Å²	166	137.4 Å²	137.4	89%	0.888	76%	0.76	S	S	*	*			trans	79.1	115.1	161.9	-54.2	-24.7	0	0	0	117.4
440	G	32.2	Very low	37.2	Very low	60 Å²	60	145.2 Å²	145.2	62%	0.619	79%	0.788	S	S	*	*			cis	145.2	120.4	5.7	0	0	0	0	0	108.4
441	H	35.8	Very low	37	Very low	203 Å²	203	142.9 Å²	142.9	94%	0.94	78%	0.78	S	S	*	*			trans	-160.9	126.5	146.5	-87.6	-47.6	0	0	0	112
442	Q	33.5	Very low	37.5	Very low	170 Å²	170	137.9 Å²	137.9	79%	0.794	76%	0.761	S	S	*	*			trans	-50.5	138.8	171.3	-121.2	134.9	1.8	0	0	113.6
443	H	35.1	Very low	38.7	Very low	197 Å²	197	137.5 Å²	137.5	91%	0.912	76%	0.756	S	S	*	*				-157.4	117	128.1	-90.6	-63.9	0	0	0	110.5
444	S	37.6	Very low	39.8	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	74%	0.744	S	S	*	*			trans	-84.3	126.7	169.4	51.9	0	0	0	0	110.5
445	S	33.8	Very low	40.9	Very low	102 Å²	102	133.7 Å²	133.7	71%	0.713	73%	0.727	S	S	*	*			trans	156.1	132.9	134.3	57.2	0	0	0	0	111.6
446	D	30.2	Very low	42.1	Very low	142 Å²	142	130 Å²	130	76%	0.759	71%	0.708	S	S	*	*			trans	86.2	129.9	155.1	-59.8	-24.9	0	0	0	120	H448	D446-H448 PolarHBondContact O-N 3.17Å
447	E	41.1	Very low	43.2	Very low	195 Å²	195	125 Å²	125	91%	0.911	68%	0.678	S	S	*	*			trans	-39.2	104.1	166.6	-72.9	173.3	108.4	0	0	112.1
448	H	32.3	Very low	44.6	Very low	170 Å²	170	124.6 Å²	124.6	79%	0.787	66%	0.658	S	S	*	*			trans	-140.2	112.7	158.7	-85.6	-68.2	0	0	0	109.2	D446 E450	D446-H448 PolarHBondContact O-N 3.17Å; H448-E450 PolarHBondContact O-N 3.33Å
449	V	37.9	Very low	45.8	Very low	123 Å²	123	123.9 Å²	123.9	75%	0.745	65%	0.645	S	S	*	*			trans	4.9	107.8	151.8	-177	0	0	0	0	112.9	T451	V449-T451 VanDerWaalsContact C-N 3.32Å; V449-T451 PolarHBondContact O-N 3.47Å
450	E	42	Very low	47.2	Very low	196 Å²	196	121.2 Å²	121.2	92%	0.916	64%	0.635	S	S	*	*			trans	-53.9	99	168.2	-73.7	-177	166.7	0	0	108.8	H448	H448-E450 PolarHBondContact O-N 3.33Å
451	T	47.4	Very low	48.7	Very low	80 Å²	80	120.8 Å²	120.8	49%	0.491	62%	0.62	S	S	.	*			trans	-85.4	121.8	164.6	33.8	0	0	0	0	104.9	V449 D453 F456	V449-T451 VanDerWaalsContact C-N 3.32Å; V449-T451 PolarHBondContact O-N 3.47Å; T451-D453 PolarHBondContact O-N 3.2Å; T451-F456 WeakPolarHBondContact OG1-CE2 3.43Å
452	P	54.6	Low	49.9	Very low	52 Å²	52	116.3 Å²	116.3	34%	0.338	60%	0.602	S	S	.	*			trans	-70.3	129.4	-171.1	29.1	-36.1	0	0	0	109.7	Y454 I455	P452-Y454 HydrophobicContact CB-CD1 3.56Å; P452-Y454 HydrophobicContact CB-CE1 3.19Å; P452-Y454 HydrophobicContact CG-CD1 3.96Å; P452-Y454 HydrophobicContact CG-CE1 3.23Å; P452-Y454 HydrophobicContact CG-CE2 4.32Å; P452-Y454 VanDerWaalsContact CG-CZ 3.41Å; P452-Y454 WeakPolarHBondContact CG-OH 3.16Å; P452-Y454 PolarHBondContact O-N 2.93Å; P452-I455 HydrophobicContact CG-CD1 3.69Å; P452-I455 HydrophobicContact CG-CG1 4.01Å; P452-I455 WeakPolarHBondContact O-CB 3.42Å; P452-I455 PolarHBondContact O-N 3.23Å
453	D	61.8	Low	51.1	Low	99 Å²	99	109.7 Å²	109.7	53%	0.529	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-46.8	-28.6	-172.3	-179.5	52.9	0	0	0	114.6	T451 I455 F456 K457	T451-D453 PolarHBondContact O-N 3.2Å; D453-I455 VanDerWaalsContact C-N 3.27Å; D453-I455 PolarHBondContact O-N 3.28Å; D453-F456 PolarHBondContact O-N 3.35Å; D453-K457 PolarHBondContact O-N 3.46Å; D453-K457 WeakPolarHBondContact OD2-CE 3.3Å; D453-K457 IonicContact OD2-NZ 3.73Å; D453-K457 PolarHBondContact OD2-NZ 3.46Å
454	Y	60.4	Low	52.3	Low	134 Å²	134	101.8 Å²	101.8	53%	0.525	55%	0.551	S	S	.	*	H	α-helix	trans	-62.9	-28	175.6	70.6	-102.2	0	0	0	113.9	P452 M458	P452-Y454 HydrophobicContact CB-CD1 3.56Å; P452-Y454 HydrophobicContact CB-CE1 3.19Å; P452-Y454 HydrophobicContact CG-CD1 3.96Å; P452-Y454 HydrophobicContact CG-CE1 3.23Å; P452-Y454 HydrophobicContact CG-CE2 4.32Å; P452-Y454 VanDerWaalsContact CG-CZ 3.41Å; P452-Y454 WeakPolarHBondContact CG-OH 3.16Å; P452-Y454 PolarHBondContact O-N 2.93Å; Y454-M458 WeakPolarHBondContact O-CB 3.39Å; Y454-M458 VanDerWaalsContact O-CG 3.24Å; Y454-M458 WeakPolarHBondContact O-CG 3.21Å; Y454-M458 PolarHBondContact O-N 3.25Å
455	I	61.8	Low	53.4	Low	69 Å²	69	101.6 Å²	101.6	35%	0.354	55%	0.545	S	S	.	.	H	α-helix	trans	-68	-45.2	179.7	-63.8	-179.7	0	0	0	110	P452 D453 M458 L459	P452-I455 HydrophobicContact CG-CD1 3.69Å; P452-I455 HydrophobicContact CG-CG1 4.01Å; P452-I455 WeakPolarHBondContact O-CB 3.42Å; P452-I455 PolarHBondContact O-N 3.23Å; D453-I455 VanDerWaalsContact C-N 3.27Å; D453-I455 PolarHBondContact O-N 3.28Å; I455-M458 PolarHBondContact O-N 3.26Å; I455-L459 HydrophobicContact CG2-CD1 4.13Å; I455-L459 WeakPolarHBondContact O-CB 3.41Å; I455-L459 VanDerWaalsContact O-CG 3.29Å; I455-L459 WeakPolarHBondContact O-CG 3.4Å; I455-L459 PolarHBondContact O-N 2.83Å
456	F	61.3	Low	54.4	Low	115 Å²	115	103.6 Å²	103.6	50%	0.504	54%	0.538	S	S	.	.	H	α-helix	trans	-66.5	-40.8	177.8	-73.2	-75.2	0	0	0	111.8	T451 D453 M458 L459 V460	T451-F456 WeakPolarHBondContact OG1-CE2 3.43Å; D453-F456 PolarHBondContact O-N 3.35Å; F456-M458 VanDerWaalsContact C-N 3.34Å; F456-M458 PolarHBondContact O-N 2.8Å; F456-L459 HydrophobicContact CD1-CD1 4.39Å; F456-L459 WeakPolarHBondContact O-CB 3.33Å; F456-L459 PolarHBondContact O-N 3.41Å; F456-V460 WeakPolarHBondContact O-CG2 3.43Å; F456-V460 PolarHBondContact O-N 2.96Å
457	K	62.8	Low	55.9	Low	67 Å²	67	100.3 Å²	100.3	29%	0.291	52%	0.523	S	S	.	.	H	α-helix	trans	-60.1	-42.4	173.9	-74.6	167.1	165.2	176.3	0	112.4	I427 D453 V460 V461	I427-K457 HydrophobicContact CG2-CB 3.85Å; I427-K457 HydrophobicContact CG2-CD 4.18Å; I427-K457 HydrophobicContact CG2-CG 4.01Å; I427-K457 VanDerWaalsContact O-CD 3.27Å; I427-K457 WeakPolarHBondContact O-CD 3.48Å; I427-K457 VanDerWaalsContact O-CE 3.31Å; I427-K457 WeakPolarHBondContact O-CE 3.43Å; I427-K457 PolarHBondContact O-NZ 3Å; D453-K457 PolarHBondContact O-N 3.46Å; D453-K457 WeakPolarHBondContact OD2-CE 3.3Å; D453-K457 IonicContact OD2-NZ 3.73Å; D453-K457 PolarHBondContact OD2-NZ 3.46Å; K457-V460 WeakPolarHBondContact O-CB 3.46Å; K457-V460 PolarHBondContact O-N 2.87Å; K457-V461 PolarHBondContact O-N 3.2Å
458	M	62.9	Low	56.6	Low	63 Å²	63	98.7 Å²	98.7	31%	0.31	51%	0.513	S	S	.	.	H	α-helix	trans	-69.7	-33.5	174.7	-74.3	-67.5	169.6	0	0	113.1	I424 L428 Y454 I455 F456 V460 V461 I462	I424-M458 HydrophobicContact CG2-CE 3.7Å; L428-M458 HydrophobicContact CD1-CE 3.41Å; L428-M458 VanDerWaalsContact CD1-CE 3.41Å; L428-M458 HydrophobicContact CD2-CE 3.48Å; L428-M458 VanDerWaalsContact CD2-CE 3.48Å; L428-M458 HydrophobicContact CD2-CG 4.35Å; L428-M458 HydrophobicContact CG-CE 3.64Å; Y454-M458 WeakPolarHBondContact O-CB 3.39Å; Y454-M458 VanDerWaalsContact O-CG 3.24Å; Y454-M458 WeakPolarHBondContact O-CG 3.21Å; Y454-M458 PolarHBondContact O-N 3.25Å; I455-M458 PolarHBondContact O-N 3.26Å; F456-M458 VanDerWaalsContact C-N 3.34Å; F456-M458 PolarHBondContact O-N 2.8Å; M458-V460 VanDerWaalsContact C-N 3.29Å; M458-V460 PolarHBondContact O-N 2.99Å; M458-V461 PolarHBondContact O-N 3.06Å; M458-I462 WeakPolarHBondContact O-CG1 3.2Å; M458-I462 PolarHBondContact O-N 2.88Å
459	L	60.4	Low	57.5	Low	94 Å²	94	97.2 Å²	97.2	49%	0.492	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-33.8	171.7	-76.7	169.7	0	0	0	112.1	I455 F456 G463	I455-L459 HydrophobicContact CG2-CD1 4.13Å; I455-L459 WeakPolarHBondContact O-CB 3.41Å; I455-L459 VanDerWaalsContact O-CG 3.29Å; I455-L459 WeakPolarHBondContact O-CG 3.4Å; I455-L459 PolarHBondContact O-N 2.83Å; F456-L459 HydrophobicContact CD1-CD1 4.39Å; F456-L459 WeakPolarHBondContact O-CB 3.33Å; F456-L459 PolarHBondContact O-N 3.41Å; L459-G463 PolarHBondContact O-N 3.38Å
460	V	66.3	Low	58.2	Low	109 Å²	109	94.4 Å²	94.4	66%	0.661	48%	0.482	S	S	*	.	H	α-helix	trans	-66	-41.6	172.8	172.9	0	0	0	0	111.1	F456 K457 M458 G463 G464	F456-V460 WeakPolarHBondContact O-CG2 3.43Å; F456-V460 PolarHBondContact O-N 2.96Å; K457-V460 WeakPolarHBondContact O-CB 3.46Å; K457-V460 PolarHBondContact O-N 2.87Å; M458-V460 VanDerWaalsContact C-N 3.29Å; M458-V460 PolarHBondContact O-N 2.99Å; V460-G463 CarbonylContact O-C 3.49Å; V460-G463 PolarHBondContact O-N 2.98Å; V460-G464 PolarHBondContact O-N 3.12Å
461	V	63.8	Low	58.8	Low	51 Å²	51	89.4 Å²	89.4	31%	0.309	46%	0.46	S	S	.	.	H	α-helix	trans	-61.5	-48.1	175	176.3	0	0	0	0	111	K457 M458 G463 G464 V465	K457-V461 PolarHBondContact O-N 3.2Å; M458-V461 PolarHBondContact O-N 3.06Å; V461-G463 VanDerWaalsContact C-N 3.29Å; V461-G463 PolarHBondContact O-N 3.32Å; V461-G464 PolarHBondContact O-N 3.1Å; V461-V465 PolarHBondContact O-N 3.02Å; V461-V465 VanDerWaalsContact O-N 3.09Å
462	I	60.6	Low	59.1	Low	110 Å²	110	88.9 Å²	88.9	56%	0.564	45%	0.452	S	S	*	.	H	α-helix	trans	-61.6	-40	175.9	-66.3	167	0	0	0	110.8	M458 V465 Y466	M458-I462 WeakPolarHBondContact O-CG1 3.2Å; M458-I462 PolarHBondContact O-N 2.88Å; I462-V465 PolarHBondContact O-N 3.12Å; I462-Y466 PolarHBondContact O-N 2.84Å
463	G	59.6	Low	58.8	Low	31 Å²	31	88.4 Å²	88.4	32%	0.32	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-41.8	174.3	0	0	0	0	0	112.4	L459 V460 V461 Y466 V467	L459-G463 PolarHBondContact O-N 3.38Å; V460-G463 CarbonylContact O-C 3.49Å; V460-G463 PolarHBondContact O-N 2.98Å; V461-G463 VanDerWaalsContact C-N 3.29Å; V461-G463 PolarHBondContact O-N 3.32Å; G463-Y466 PolarHBondContact O-N 3.28Å; G463-V467 WeakPolarHBondContact O-CG2 3.45Å; G463-V467 PolarHBondContact O-N 2.96Å
464	G	59.2	Low	58.7	Low	31 Å²	31	87 Å²	87	32%	0.32	44%	0.44	S	S	.	.	H	α-helix	trans	-58.8	-49.7	174	0	0	0	0	0	112.1	V460 V461 Y466 V467 F468	V460-G464 PolarHBondContact O-N 3.12Å; V461-G464 PolarHBondContact O-N 3.1Å; G464-Y466 VanDerWaalsContact C-N 3.29Å; G464-Y466 PolarHBondContact O-N 2.94Å; G464-V467 PolarHBondContact O-N 3.04Å; G464-V467 VanDerWaalsContact O-N 3.15Å; G464-F468 WeakPolarHBondContact O-CD2 3.33Å; G464-F468 PolarHBondContact O-N 3.4Å
465	V	61.3	Low	58.4	Low	100 Å²	100	85.2 Å²	85.2	61%	0.606	44%	0.435	S	S	*	.	H	α-helix	trans	-57.7	-42.6	175.2	175.9	0	0	0	0	111.3	V461 I462 F468 Y469	V461-V465 PolarHBondContact O-N 3.02Å; V461-V465 VanDerWaalsContact O-N 3.09Å; I462-V465 PolarHBondContact O-N 3.12Å; V465-F468 PolarHBondContact O-N 3.33Å; V465-Y469 WeakPolarHBondContact O-CB 3.25Å; V465-Y469 PolarHBondContact O-N 3.09Å
466	Y	53.7	Low	57.9	Low	144 Å²	144	83.7 Å²	83.7	57%	0.565	43%	0.431	S	S	*	.	H	α-helix	trans	-66	-37.5	177.6	-178.2	-105.9	0	0	0	112.9	I462 G463 G464 Y469 L470	I462-Y466 PolarHBondContact O-N 2.84Å; G463-Y466 PolarHBondContact O-N 3.28Å; G464-Y466 VanDerWaalsContact C-N 3.29Å; G464-Y466 PolarHBondContact O-N 2.94Å; Y466-Y469 HydrophobicContact CD2-CD1 4.23Å; Y466-Y469 HydrophobicContact CE2-CD1 4.22Å; Y466-Y469 WeakPolarHBondContact O-CB 3.47Å; Y466-Y469 PolarHBondContact O-N 2.81Å; Y466-L470 WeakPolarHBondContact O-CB 3.27Å; Y466-L470 PolarHBondContact O-N 2.78Å
467	V	61.7	Low	57.6	Low	74 Å²	74	83.7 Å²	83.7	45%	0.448	43%	0.433	S	S	.	.	H	α-helix	trans	-65.7	-42	175	169.4	0	0	0	0	110.9	G463 G464 L470 M471	G463-V467 WeakPolarHBondContact O-CG2 3.45Å; G463-V467 PolarHBondContact O-N 2.96Å; G464-V467 PolarHBondContact O-N 3.04Å; G464-V467 VanDerWaalsContact O-N 3.15Å; V467-L470 WeakPolarHBondContact O-CB 3.31Å; V467-L470 PolarHBondContact O-N 2.79Å; V467-M471 HydrophobicContact CG1-CG 4.45Å; V467-M471 WeakPolarHBondContact O-CG 3.24Å; V467-M471 PolarHBondContact O-N 3.48Å
468	F	57.7	Low	57.3	Low	161 Å²	161	84.9 Å²	84.9	71%	0.706	45%	0.446	S	S	*	.	H	α-helix	trans	-62.3	-44.2	174	-85.9	-75.4	0	0	0	112	G464 V465 L470 M471 E472	G464-F468 WeakPolarHBondContact O-CD2 3.33Å; G464-F468 PolarHBondContact O-N 3.4Å; V465-F468 PolarHBondContact O-N 3.33Å; F468-L470 VanDerWaalsContact C-N 3.3Å; F468-L470 PolarHBondContact O-N 3.07Å; F468-M471 PolarHBondContact O-N 3.33Å; F468-E472 PolarHBondContact O-N 2.73Å
469	Y	50.1	Low	56.8	Low	138 Å²	138	85.1 Å²	85.1	54%	0.541	45%	0.451	S	S	.	.	H	α-helix	trans	-57.9	-42.3	171.8	168.8	-97.2	0	0	0	112.2	V465 Y466 E472 T473	V465-Y469 WeakPolarHBondContact O-CB 3.25Å; V465-Y469 PolarHBondContact O-N 3.09Å; Y466-Y469 HydrophobicContact CD2-CD1 4.23Å; Y466-Y469 HydrophobicContact CE2-CD1 4.22Å; Y466-Y469 WeakPolarHBondContact O-CB 3.47Å; Y466-Y469 PolarHBondContact O-N 2.81Å; Y469-E472 PolarHBondContact O-N 3.23Å; Y469-T473 WeakPolarHBondContact O-CB 3.47Å; Y469-T473 PolarHBondContact O-N 2.7Å; Y469-T473 PolarHBondContact O-OG1 2.79Å
470	L	51.9	Low	56.3	Low	65 Å²	65	85.3 Å²	85.3	34%	0.34	45%	0.453	S	S	.	.	H	α-helix	trans	-66.6	-41.6	177.9	-171.8	72.9	0	0	0	111.3	Y466 V467 F468 T473 I474	Y466-L470 WeakPolarHBondContact O-CB 3.27Å; Y466-L470 PolarHBondContact O-N 2.78Å; V467-L470 WeakPolarHBondContact O-CB 3.31Å; V467-L470 PolarHBondContact O-N 2.79Å; F468-L470 VanDerWaalsContact C-N 3.3Å; F468-L470 PolarHBondContact O-N 3.07Å; L470-T473 PolarHBondContact O-N 3.19Å; L470-I474 HydrophobicContact CD1-CD1 4.42Å; L470-I474 HydrophobicContact CD2-CD1 4.21Å; L470-I474 HydrophobicContact CG-CD1 3.8Å; L470-I474 HydrophobicContact CG-CG1 4.36Å; L470-I474 WeakPolarHBondContact O-CB 3.44Å; L470-I474 WeakPolarHBondContact O-CG1 3.44Å; L470-I474 PolarHBondContact O-N 2.99Å
471	M	55.1	Low	55.1	Low	90 Å²	90	88.5 Å²	88.5	44%	0.443	46%	0.458	S	S	.	.	H	α-helix	trans	-59.6	-51.2	174.8	-73.3	-64.5	161.5	0	0	110.4	V467 F468 T473 I474 F475	V467-M471 HydrophobicContact CG1-CG 4.45Å; V467-M471 WeakPolarHBondContact O-CG 3.24Å; V467-M471 PolarHBondContact O-N 3.48Å; F468-M471 PolarHBondContact O-N 3.33Å; M471-T473 VanDerWaalsContact C-N 3.29Å; M471-T473 PolarHBondContact O-N 3.14Å; M471-I474 PolarHBondContact O-N 3.41Å; M471-F475 WeakPolarHBondContact O-CB 3.32Å; M471-F475 WeakPolarHBondContact O-CD2 3.41Å; M471-F475 PolarHBondContact O-N 3.21Å
472	E	53.8	Low	54	Low	70 Å²	70	92.3 Å²	92.3	33%	0.327	48%	0.477	S	S	.	.	H	α-helix	trans	-55.7	-43.8	175.6	-172.7	173.7	-157.9	0	0	111.6	F468 Y469 F475 S476 H495	F468-E472 PolarHBondContact O-N 2.73Å; Y469-E472 PolarHBondContact O-N 3.23Å; E472-F475 PolarHBondContact O-N 2.95Å; E472-S476 WeakPolarHBondContact O-CB 3.2Å; E472-S476 PolarHBondContact O-N 3.14Å; E472-H495 WeakPolarHBondContact OE1-CA 3.47Å; E472-H495 IonicContact OE1-ND1 2.73Å; E472-H495 PolarHBondContact OE1-ND1 2.9Å
473	T	48.3	Very low	53	Low	41 Å²	41	92.6 Å²	92.6	25%	0.252	48%	0.475	S	S	.	.	H	α-helix	trans	-66.7	-40.6	178	-53.8	0	0	0	0	112.4	Y469 L470 M471 S476 M477	Y469-T473 WeakPolarHBondContact O-CB 3.47Å; Y469-T473 PolarHBondContact O-N 2.7Å; Y469-T473 PolarHBondContact O-OG1 2.79Å; L470-T473 PolarHBondContact O-N 3.19Å; M471-T473 VanDerWaalsContact C-N 3.29Å; M471-T473 PolarHBondContact O-N 3.14Å; T473-S476 WeakPolarHBondContact O-CB 3.41Å; T473-S476 PolarHBondContact O-N 2.9Å; T473-M477 HydrophobicContact CG2-CE 3.74Å; T473-M477 WeakPolarHBondContact O-CB 3.39Å; T473-M477 PolarHBondContact O-N 2.96Å
474	I	60.7	Low	52	Low	71 Å²	71	99.6 Å²	99.6	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-66.5	-44.9	176.6	-71.6	167.2	0	0	0	109.8	L470 M471 S476 M477 V478	L470-I474 HydrophobicContact CD1-CD1 4.42Å; L470-I474 HydrophobicContact CD2-CD1 4.21Å; L470-I474 HydrophobicContact CG-CD1 3.8Å; L470-I474 HydrophobicContact CG-CG1 4.36Å; L470-I474 WeakPolarHBondContact O-CB 3.44Å; L470-I474 WeakPolarHBondContact O-CG1 3.44Å; L470-I474 PolarHBondContact O-N 2.99Å; M471-I474 PolarHBondContact O-N 3.41Å; I474-S476 VanDerWaalsContact C-N 3.31Å; I474-S476 PolarHBondContact O-N 2.94Å; I474-M477 PolarHBondContact O-N 3.23Å; I474-V478 HydrophobicContact CG2-CG2 4.19Å; I474-V478 WeakPolarHBondContact O-CB 3.35Å; I474-V478 VanDerWaalsContact O-CG2 3.23Å; I474-V478 WeakPolarHBondContact O-CG2 3.29Å; I474-V478 PolarHBondContact O-N 2.67Å
475	F	54.3	Low	51	Low	96 Å²	96	105.8 Å²	105.8	42%	0.421	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-40.2	175	-85.2	-71.8	0	0	0	111.6	M471 E472 V478 T479	M471-F475 WeakPolarHBondContact O-CB 3.32Å; M471-F475 WeakPolarHBondContact O-CD2 3.41Å; M471-F475 PolarHBondContact O-N 3.21Å; E472-F475 PolarHBondContact O-N 2.95Å; F475-V478 PolarHBondContact O-N 3.35Å; F475-T479 WeakPolarHBondContact O-CB 3.41Å; F475-T479 PolarHBondContact O-N 2.9Å; F475-T479 PolarHBondContact O-OG1 3.37Å
476	S	50.1	Low	49.7	Very low	37 Å²	37	109.3 Å²	109.3	26%	0.259	53%	0.529	S	S	.	.	H	α-helix	trans	-61.7	-45.4	172.9	-174	0	0	0	0	111.9	E472 T473 I474 T479 N480	E472-S476 WeakPolarHBondContact O-CB 3.2Å; E472-S476 PolarHBondContact O-N 3.14Å; T473-S476 WeakPolarHBondContact O-CB 3.41Å; T473-S476 PolarHBondContact O-N 2.9Å; I474-S476 VanDerWaalsContact C-N 3.31Å; I474-S476 PolarHBondContact O-N 2.94Å; S476-T479 PolarHBondContact O-N 3.36Å; S476-N480 WeakPolarHBondContact O-CB 3.27Å; S476-N480 PolarHBondContact O-N 3.32Å
477	M	54.5	Low	49	Very low	114 Å²	114	111.8 Å²	111.8	56%	0.562	55%	0.546	S	S	*	.	H	α-helix	trans	-65.6	-38.2	176.3	-83.1	-168.3	-92.6	0	0	113.4	T473 I474 N480 K481	T473-M477 HydrophobicContact CG2-CE 3.74Å; T473-M477 WeakPolarHBondContact O-CB 3.39Å; T473-M477 PolarHBondContact O-N 2.96Å; I474-M477 PolarHBondContact O-N 3.23Å; M477-N480 PolarHBondContact O-N 2.93Å; M477-K481 WeakPolarHBondContact O-CB 3.14Å; M477-K481 PolarHBondContact O-N 3.14Å; M477-K481 VanDerWaalsContact O-N 3.13Å
478	V	58.2	Low	47.9	Very low	93 Å²	93	111.8 Å²	111.8	56%	0.564	56%	0.561	S	S	*	*	H	α-helix	trans	-69.2	-38.7	178.7	169.9	0	0	0	0	110.5	I474 F475	I474-V478 HydrophobicContact CG2-CG2 4.19Å; I474-V478 WeakPolarHBondContact O-CB 3.35Å; I474-V478 VanDerWaalsContact O-CG2 3.23Å; I474-V478 WeakPolarHBondContact O-CG2 3.29Å; I474-V478 PolarHBondContact O-N 2.67Å; F475-V478 PolarHBondContact O-N 3.35Å
479	T	52.4	Low	46.7	Very low	67 Å²	67	111.9 Å²	111.9	41%	0.411	57%	0.569	S	S	.	*	H	α-helix	trans	-67.9	-37.5	175	-53.6	0	0	0	0	111.7	F475 S476	F475-T479 WeakPolarHBondContact O-CB 3.41Å; F475-T479 PolarHBondContact O-N 2.9Å; F475-T479 PolarHBondContact O-OG1 3.37Å; S476-T479 PolarHBondContact O-N 3.36Å
480	N	48.9	Very low	46.2	Very low	99 Å²	99	114.9 Å²	114.9	53%	0.529	59%	0.588	S	S	.	*	H	α-helix	trans	-80.9	-10	179.8	-93.8	-16.9	0	0	0	115.7	S476 M477 N482	S476-N480 WeakPolarHBondContact O-CB 3.27Å; S476-N480 PolarHBondContact O-N 3.32Å; M477-N480 PolarHBondContact O-N 2.93Å; N480-N482 PolarHBondContact O-N 2.83Å
481	K	41.4	Very low	45.4	Very low	176 Å²	176	117 Å²	117	77%	0.765	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	5.5	-171.1	-127.6	173.9	-178.1	171.6	0	115.9	M477	M477-K481 WeakPolarHBondContact O-CB 3.14Å; M477-K481 PolarHBondContact O-N 3.14Å; M477-K481 VanDerWaalsContact O-N 3.13Å
482	N	41.3	Very low	44.2	Very low	131 Å²	131	119.9 Å²	119.9	70%	0.701	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	10.1	-178.4	-79.6	-33.2	0	0	0	115.1	N480	N480-N482 PolarHBondContact O-N 2.83Å
483	E	39	Very low	43.4	Very low	115 Å²	115	121.7 Å²	121.7	54%	0.537	64%	0.643	S	S	.	*			trans	-122.7	94.8	176.5	-68.8	-173.2	152.1	0	0	111.5	K536	E483-K536 IonicContact OE2-NZ 3.42Å; E483-K536 PolarHBondContact OE2-NZ 3.05Å
484	H	38.2	Very low	43	Very low	179 Å²	179	126.2 Å²	126.2	83%	0.829	66%	0.661	S	S	*	*			trans	-90.1	105.2	151.9	-76.5	-56.5	0	0	0	107.3
485	H	37.5	Very low	41.9	Very low	160 Å²	160	129.2 Å²	129.2	74%	0.741	67%	0.673	S	S	*	*			trans	153.4	134.3	131.1	-84.9	-73.6	0	0	0	114.2
486	H	34.3	Very low	41.4	Very low	175 Å²	175	128 Å²	128	81%	0.81	68%	0.676	S	S	*	*			trans	87.1	134	160.1	-63.7	-63.1	0	0	0	120.7
487	E	38.9	Very low	41	Very low	196 Å²	196	129.8 Å²	129.8	92%	0.916	68%	0.682	S	S	*	*			trans	-74.3	146.4	-163.9	-64.4	170.6	137.7	0	0	113.7
488	G	39.4	Very low	40.7	Very low	74 Å²	74	128 Å²	128	76%	0.763	67%	0.673	S	S	*	*			trans	102.5	83.1	151.5	0	0	0	0	0	116.1
489	D	31.9	Very low	40	Very low	163 Å²	163	127.1 Å²	127.1	87%	0.872	67%	0.667	S	S	*	*				-170.5	141.6	121.3	-122.4	-23.1	0	0	0	110.6	S491	D489-S491 PolarHBondContact O-N 2.76Å
490	E	39.9	Very low	39.9	Very low	201 Å²	201	124.9 Å²	124.9	94%	0.939	66%	0.658	S	S	*	*			trans	-72.5	103.5	174.5	-74.8	179.8	121.7	0	0	110
491	S	35.3	Very low	39.9	Very low	109 Å²	109	121.3 Å²	121.3	76%	0.762	64%	0.64	S	S	*	*			trans	-115.6	119.4	161.5	62.2	0	0	0	0	109.7	D489	D489-S491 PolarHBondContact O-N 2.76Å
492	N	30	Very low	40.3	Very low	150 Å²	150	114.6 Å²	114.6	80%	0.802	61%	0.612	S	S	*	*			trans	-53	152.7	-177.8	-96.3	-17.7	0	0	0	113.4	H494	N492-H494 PolarHBondContact O-N 2.72Å
493	P	37.4	Very low	40.6	Very low	109 Å²	109	113.5 Å²	113.5	71%	0.708	60%	0.602	S	S	*	*			trans	-65.8	132.2	-179.5	-10.7	26.2	0	0	0	110.9	H495	P493-H495 PolarHBondContact O-N 3.25Å; P493-H495 VanDerWaalsContact O-N 3.12Å
494	H	39.5	Very low	41.2	Very low	135 Å²	135	111 Å²	111	63%	0.625	59%	0.591	S	S	*	*			trans	-57.9	109.8	177.6	-67.6	-87.8	0	0	0	111.4	N492	N492-H494 PolarHBondContact O-N 2.72Å
495	H	38.5	Very low	41.7	Very low	135 Å²	135	106.6 Å²	106.6	63%	0.625	57%	0.568	S	S	*	*			trans	-64.1	147.4	148.3	-161	22.9	0	0	0	107.4	E472 P493 D497	E472-H495 WeakPolarHBondContact OE1-CA 3.47Å; E472-H495 IonicContact OE1-ND1 2.73Å; E472-H495 PolarHBondContact OE1-ND1 2.9Å; P493-H495 PolarHBondContact O-N 3.25Å; P493-H495 VanDerWaalsContact O-N 3.12Å; H495-D497 PolarHBondContact O-N 3.46Å
496	C	43.4	Very low	42.4	Very low	70 Å²	70	103.3 Å²	103.3	47%	0.473	55%	0.553	S	S	.	*			trans	-63	76.7	166.1	-76.3	0	0	0	0	109	H498	C496-H498 PolarHBondContact O-N 3.32Å
497	D	41.9	Very low	43.2	Very low	74 Å²	74	100.4 Å²	100.4	40%	0.396	54%	0.54	S	S	.	.			trans	-86.3	92	-164.3	-163	17.7	0	0	0	108.9	H495 V499 G500	H495-D497 PolarHBondContact O-N 3.46Å; D497-V499 PolarHBondContact O-N 3.44Å; D497-V499 VanDerWaalsContact O-N 3.16Å; D497-V499 WeakPolarHBondContact OD1-CB 3.39Å; D497-V499 VanDerWaalsContact OD1-CG2 3.27Å; D497-V499 WeakPolarHBondContact OD1-CG2 3.5Å; D497-V499 PolarHBondContact OD1-N 3.43Å; D497-V499 VanDerWaalsContact OD1-N 3.17Å; D497-G500 WeakPolarHBondContact O-CA 3.46Å; D497-G500 PolarHBondContact O-N 3.24Å; D497-G500 PolarHBondContact OD2-N 3.39Å
498	H	47.1	Very low	43.8	Very low	77 Å²	77	95.8 Å²	95.8	36%	0.356	52%	0.518	S	S	.	.	H	α-helix	trans	-56.4	-22.3	165.8	-66	-84.3	0	0	0	111	C496 G500 D592	C496-H498 PolarHBondContact O-N 3.32Å; H498-G500 VanDerWaalsContact C-N 3.34Å; H498-D592 IonicContact CE1-OD1 3.28Å
499	V	43.8	Very low	44.4	Very low	74 Å²	74	98.4 Å²	98.4	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-70	-31.7	170.7	-169.4	0	0	0	0	111.6	D497 V501 L502 E503	D497-V499 PolarHBondContact O-N 3.44Å; D497-V499 VanDerWaalsContact O-N 3.16Å; D497-V499 WeakPolarHBondContact OD1-CB 3.39Å; D497-V499 VanDerWaalsContact OD1-CG2 3.27Å; D497-V499 WeakPolarHBondContact OD1-CG2 3.5Å; D497-V499 PolarHBondContact OD1-N 3.43Å; D497-V499 VanDerWaalsContact OD1-N 3.17Å; V499-V501 PolarHBondContact O-N 3Å; V499-L502 WeakPolarHBondContact O-CA 3.35Å; V499-L502 WeakPolarHBondContact O-CB 3.45Å; V499-L502 PolarHBondContact O-N 2.98Å; V499-E503 PolarHBondContact O-N 2.92Å
500	G	49.6	Very low	45.2	Very low	21 Å²	21	97.4 Å²	97.4	22%	0.216	50%	0.497	C	S	.	.	H	α-helix	trans	-59.2	-29.1	176.4	0	0	0	0	0	113.3	D497 H498 E503 M504	D497-G500 WeakPolarHBondContact O-CA 3.46Å; D497-G500 PolarHBondContact O-N 3.24Å; D497-G500 PolarHBondContact OD2-N 3.39Å; H498-G500 VanDerWaalsContact C-N 3.34Å; G500-E503 PolarHBondContact O-N 3.27Å; G500-M504 WeakPolarHBondContact O-CG 3.48Å; G500-M504 PolarHBondContact O-N 3.36Å
501	V	50.2	Low	45.6	Very low	24 Å²	24	93.4 Å²	93.4	15%	0.145	48%	0.478	C	S	.	.	H	α-helix	trans	-75	-37.8	174.3	177.3	0	0	0	0	111.6	V499 E503 M504 Y505 I595	V499-V501 PolarHBondContact O-N 3Å; V501-E503 VanDerWaalsContact C-N 3.27Å; V501-E503 PolarHBondContact O-N 3Å; V501-M504 HydrophobicContact CB-CE 4.26Å; V501-M504 HydrophobicContact CG1-CE 4.4Å; V501-M504 HydrophobicContact CG2-CE 3.81Å; V501-M504 PolarHBondContact O-N 3.14Å; V501-Y505 WeakPolarHBondContact O-CB 3.3Å; V501-Y505 PolarHBondContact O-N 2.54Å; V501-I595 HydrophobicContact CB-CG1 4.25Å; V501-I595 HydrophobicContact CG1-CG1 4.01Å; V501-I595 HydrophobicContact CG2-CD1 3.97Å; V501-I595 HydrophobicContact CG2-CG1 3.84Å; V501-I595 HydrophobicContact CG2-CG2 4.12Å
502	L	48.5	Very low	46.2	Very low	35 Å²	35	95.4 Å²	95.4	18%	0.183	47%	0.473	C	S	.	.	H	α-helix	trans	-62.8	-40.1	172.4	-147.7	84.1	0	0	0	110.2	Q401 I404 V499 Y505 Q506	Q401-L502 VanDerWaalsContact OE1-CD1 3.23Å; I404-L502 HydrophobicContact CG2-CD1 4.49Å; V499-L502 WeakPolarHBondContact O-CA 3.35Å; V499-L502 WeakPolarHBondContact O-CB 3.45Å; V499-L502 PolarHBondContact O-N 2.98Å; L502-Y505 PolarHBondContact O-N 2.87Å; L502-Q506 VanDerWaalsContact O-CB 3.32Å; L502-Q506 WeakPolarHBondContact O-CB 3.36Å; L502-Q506 WeakPolarHBondContact O-CG 3.41Å; L502-Q506 PolarHBondContact O-N 3.26Å
503	E	49.2	Very low	46.9	Very low	108 Å²	108	92.8 Å²	92.8	51%	0.505	46%	0.459	S	S	.	.	H	α-helix	trans	-65.9	-40.2	173.6	-71	-163.5	162.1	0	0	112.5	V499 G500 V501 Q506 Q507	V499-E503 PolarHBondContact O-N 2.92Å; G500-E503 PolarHBondContact O-N 3.27Å; V501-E503 VanDerWaalsContact C-N 3.27Å; V501-E503 PolarHBondContact O-N 3Å; E503-Q506 CarbonylContact O-C 3.57Å; E503-Q506 PolarHBondContact O-N 3.35Å; E503-Q507 VanDerWaalsContact O-CB 3.24Å; E503-Q507 WeakPolarHBondContact O-CB 3.47Å; E503-Q507 WeakPolarHBondContact O-CG 3.23Å; E503-Q507 PolarHBondContact O-N 2.87Å
504	M	50.5	Low	47.2	Very low	62 Å²	62	95.1 Å²	95.1	31%	0.305	46%	0.458	S	S	.	.	H	α-helix	trans	-62.8	-44.9	172.9	-77.9	-165.6	-56.4	0	0	111.8	G500 V501 Q506 Q507 E508	G500-M504 WeakPolarHBondContact O-CG 3.48Å; G500-M504 PolarHBondContact O-N 3.36Å; V501-M504 HydrophobicContact CB-CE 4.26Å; V501-M504 HydrophobicContact CG1-CE 4.4Å; V501-M504 HydrophobicContact CG2-CE 3.81Å; V501-M504 PolarHBondContact O-N 3.14Å; M504-Q506 VanDerWaalsContact C-N 3.31Å; M504-Q506 PolarHBondContact O-N 3.17Å; M504-Q507 PolarHBondContact O-N 2.89Å; M504-E508 WeakPolarHBondContact O-CB 3.48Å; M504-E508 PolarHBondContact O-N 3.41Å
505	Y	48.5	Very low	47.5	Very low	87 Å²	87	93 Å²	93	34%	0.341	46%	0.458	S	S	.	.	H	α-helix	trans	-64.6	-37.5	177.6	-153.8	-92.5	0	0	0	111.3	V501 L502 K509 H598	V501-Y505 WeakPolarHBondContact O-CB 3.3Å; V501-Y505 PolarHBondContact O-N 2.54Å; L502-Y505 PolarHBondContact O-N 2.87Å; Y505-K509 WeakPolarHBondContact O-CB 3.4Å; Y505-K509 PolarHBondContact O-N 3.12Å; Y505-K509 VanDerWaalsContact O-N 3.11Å; Y505-H598 AromaticContact CD2-CE1 3.87Å
506	Q	51.5	Low	47.8	Very low	90 Å²	90	94.9 Å²	94.9	42%	0.421	47%	0.467	S	S	.	.	H	α-helix	trans	-71.5	-35.3	173.2	-74	178.1	6.4	0	0	112.8	L502 E503 M504 K510	L502-Q506 VanDerWaalsContact O-CB 3.32Å; L502-Q506 WeakPolarHBondContact O-CB 3.36Å; L502-Q506 WeakPolarHBondContact O-CG 3.41Å; L502-Q506 PolarHBondContact O-N 3.26Å; E503-Q506 CarbonylContact O-C 3.57Å; E503-Q506 PolarHBondContact O-N 3.35Å; M504-Q506 VanDerWaalsContact C-N 3.31Å; M504-Q506 PolarHBondContact O-N 3.17Å; Q506-K510 WeakPolarHBondContact O-CB 3.45Å; Q506-K510 WeakPolarHBondContact O-CG 3.29Å; Q506-K510 PolarHBondContact O-N 3.49Å
507	Q	51.3	Low	48	Very low	115 Å²	115	96.5 Å²	96.5	54%	0.537	48%	0.479	S	S	.	.	H	α-helix	trans	-69.5	-40.9	174.8	-86.3	-175.5	-7.8	0	0	111.3	E503 M504 K509 K510 Q511	E503-Q507 VanDerWaalsContact O-CB 3.24Å; E503-Q507 WeakPolarHBondContact O-CB 3.47Å; E503-Q507 WeakPolarHBondContact O-CG 3.23Å; E503-Q507 PolarHBondContact O-N 2.87Å; M504-Q507 PolarHBondContact O-N 2.89Å; Q507-K509 VanDerWaalsContact C-N 3.33Å; Q507-K510 CarbonylContact O-C 3.59Å; Q507-K510 PolarHBondContact O-N 3.43Å; Q507-Q511 WeakPolarHBondContact O-CB 3.33Å; Q507-Q511 PolarHBondContact O-N 3.13Å
508	E	53.3	Low	48	Very low	98 Å²	98	96.8 Å²	96.8	46%	0.458	49%	0.492	S	S	.	.	H	α-helix	trans	-65.8	-38.2	176.5	-159	-175.7	-160	0	0	110.8	M504 Q511 K512 H598	M504-E508 WeakPolarHBondContact O-CB 3.48Å; M504-E508 PolarHBondContact O-N 3.41Å; E508-Q511 PolarHBondContact O-N 3.49Å; E508-K512 WeakPolarHBondContact O-CB 3.49Å; E508-K512 PolarHBondContact O-N 2.88Å; E508-H598 IonicContact OE2-CE1 3.73Å; E508-H598 PolarHBondContact OE2-CE1 3.12Å; E508-H598 VanDerWaalsContact OE2-CE1 3.28Å; E508-H598 IonicContact OE2-NE2 2.72Å
509	K	52	Low	47.7	Very low	130 Å²	130	99 Å²	99	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-62.2	-48	169.6	-168.3	176.2	-179.5	177.7	0	111.6	Y505 Q507 Q511 K512 D513	Y505-K509 WeakPolarHBondContact O-CB 3.4Å; Y505-K509 PolarHBondContact O-N 3.12Å; Y505-K509 VanDerWaalsContact O-N 3.11Å; Q507-K509 VanDerWaalsContact C-N 3.33Å; K509-Q511 VanDerWaalsContact C-N 3.3Å; K509-Q511 PolarHBondContact O-N 3.29Å; K509-K512 PolarHBondContact O-N 3.29Å; K509-D513 PolarHBondContact O-N 2.7Å
510	K	46.9	Very low	47.9	Very low	142 Å²	142	106.6 Å²	106.6	62%	0.617	54%	0.536	S	S	*	.	H	α-helix	trans	-63.6	-31.3	175.1	-77.8	175.5	-179.2	171.6	0	113	Q506 Q507 K514	Q506-K510 WeakPolarHBondContact O-CB 3.45Å; Q506-K510 WeakPolarHBondContact O-CG 3.29Å; Q506-K510 PolarHBondContact O-N 3.49Å; Q507-K510 CarbonylContact O-C 3.59Å; Q507-K510 PolarHBondContact O-N 3.43Å; K510-K514 WeakPolarHBondContact O-CB 3.08Å; K510-K514 PolarHBondContact O-N 3.32Å
511	Q	50.1	Low	47.6	Very low	116 Å²	116	109.8 Å²	109.8	54%	0.542	56%	0.561	S	S	.	*	H	α-helix	trans	-75.4	-38.7	176	-105.6	179.8	-10.7	0	0	111.9	Q507 E508 K509 D513 K514 S515	Q507-Q511 WeakPolarHBondContact O-CB 3.33Å; Q507-Q511 PolarHBondContact O-N 3.13Å; E508-Q511 PolarHBondContact O-N 3.49Å; K509-Q511 VanDerWaalsContact C-N 3.3Å; K509-Q511 PolarHBondContact O-N 3.29Å; Q511-D513 VanDerWaalsContact C-N 3.31Å; Q511-K514 PolarHBondContact O-N 3.24Å; Q511-S515 WeakPolarHBondContact O-CB 3.46Å; Q511-S515 PolarHBondContact O-N 3.37Å; Q511-S515 PolarHBondContact O-OG 3.49Å
512	K	46.4	Very low	47.3	Very low	151 Å²	151	115.8 Å²	115.8	66%	0.657	59%	0.592	S	S	*	*	H	α-helix	trans	-62.1	-39	169.1	-102.2	179.4	173.4	173	0	111.8	E508 K509 S515 Q516	E508-K512 WeakPolarHBondContact O-CB 3.49Å; E508-K512 PolarHBondContact O-N 2.88Å; K509-K512 PolarHBondContact O-N 3.29Å; K512-S515 PolarHBondContact O-OG 2.93Å; K512-S515 VanDerWaalsContact O-OG 3.07Å; K512-Q516 PolarHBondContact O-N 2.97Å
513	D	44.7	Very low	47.3	Very low	96 Å²	96	119.9 Å²	119.9	51%	0.513	61%	0.614	S	S	.	*	H	α-helix	trans	-70.7	-34.7	175.3	-64.6	-21.7	0	0	0	111.6	K509 Q511	K509-D513 PolarHBondContact O-N 2.7Å; Q511-D513 VanDerWaalsContact C-N 3.31Å
514	K	44.3	Very low	47.3	Very low	157 Å²	157	120.7 Å²	120.7	68%	0.683	63%	0.626	S	S	*	*	H	α-helix	trans	-73.8	-36.6	175.4	-114.5	178.3	174.7	-178.1	0	113.3	K510 Q511 Q516 S517 A518	K510-K514 WeakPolarHBondContact O-CB 3.08Å; K510-K514 PolarHBondContact O-N 3.32Å; Q511-K514 PolarHBondContact O-N 3.24Å; K514-Q516 VanDerWaalsContact C-N 3.26Å; K514-Q516 PolarHBondContact O-N 3.44Å; K514-S517 PolarHBondContact O-N 2.96Å; K514-A518 PolarHBondContact O-N 3.27Å; K514-A518 VanDerWaalsContact O-N 3.13Å
515	S	44.7	Very low	46.8	Very low	90 Å²	90	125.5 Å²	125.5	63%	0.629	65%	0.653	S	S	*	*	H	α-helix	trans	-71.4	-22.4	-179.4	65.5	0	0	0	0	112.6	Q511 K512 S517	Q511-S515 WeakPolarHBondContact O-CB 3.46Å; Q511-S515 PolarHBondContact O-N 3.37Å; Q511-S515 PolarHBondContact O-OG 3.49Å; K512-S515 PolarHBondContact O-OG 2.93Å; K512-S515 VanDerWaalsContact O-OG 3.07Å; S515-S517 VanDerWaalsContact C-N 3.29Å
516	Q	46.8	Very low	46.6	Very low	176 Å²	176	126.1 Å²	126.1	82%	0.822	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-10.8	166.4	-81.1	-175.5	-16.9	0	0	114.1	K512 K514	K512-Q516 PolarHBondContact O-N 2.97Å; K514-Q516 VanDerWaalsContact C-N 3.26Å; K514-Q516 PolarHBondContact O-N 3.44Å
517	S	45.6	Very low	46.2	Very low	104 Å²	104	128 Å²	128	73%	0.727	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	-6.7	-172.8	-171	0	0	0	0	116.2	K514 S515	K514-S517 PolarHBondContact O-N 2.96Å; S515-S517 VanDerWaalsContact C-N 3.29Å
518	A	42	Very low	45.7	Very low	80 Å²	80	130.9 Å²	130.9	66%	0.661	68%	0.684	S	S	*	*			trans	-101.3	115.1	-174.1	0	0	0	0	0	113.3	K514	K514-A518 PolarHBondContact O-N 3.27Å; K514-A518 VanDerWaalsContact O-N 3.13Å
519	S	41.3	Very low	44.9	Very low	122 Å²	122	132.4 Å²	132.4	85%	0.853	69%	0.689	S	S	*	*			trans	-72.3	139.8	170	172.8	0	0	0	0	111.6	A521	S519-A521 PolarHBondContact O-N 2.96Å
520	R	47.6	Very low	44.3	Very low	234 Å²	234	132 Å²	132	88%	0.883	69%	0.685	S	S	*	*	S	Bend	trans	-70.7	93.1	-177	-179.6	-175.9	171.3	139.5	1	112.6
521	A	44.7	Very low	43.7	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	68%	0.675	S	S	*	*			trans	-169.8	76.6	161.1	0	0	0	0	0	112.5	S519	S519-A521 PolarHBondContact O-N 2.96Å
522	D	43.7	Very low	43.2	Very low	150 Å²	150	126.3 Å²	126.3	80%	0.802	67%	0.67	S	S	*	*			trans	-168.5	50.8	148.9	-128.5	-3.1	0	0	0	113.6
523	L	49.1	Very low	43	Very low	122 Å²	122	124 Å²	124	64%	0.639	66%	0.662	S	S	*	*			trans	-109.3	92.1	-175.2	-69.3	169.8	0	0	0	111
524	V	48.1	Very low	42.9	Very low	125 Å²	125	124.2 Å²	124.2	76%	0.758	66%	0.659	S	S	*	*	S	Bend	trans	-150.1	-32	150.1	-158.7	0	0	0	0	114.1
525	D	40.8	Very low	42.8	Very low	163 Å²	163	122.6 Å²	122.6	87%	0.872	65%	0.652	S	S	*	*	S	Bend	trans	-94.1	-10.2	-177.6	-93.9	-34.3	0	0	0	115
526	D	44	Very low	42.8	Very low	100 Å²	100	122 Å²	122	54%	0.535	64%	0.639	S	S	.	*	S	Bend	trans	-87.5	-14.3	-179.9	-85.2	-42.2	0	0	0	114	E528 K529 Y530	D526-E528 PolarHBondContact O-N 3.34Å; D526-K529 PolarHBondContact O-N 2.79Å; D526-Y530 VanDerWaalsContact O-CB 3.25Å; D526-Y530 WeakPolarHBondContact O-CB 3.48Å; D526-Y530 PolarHBondContact O-N 2.8Å
527	E	42.2	Very low	42.7	Very low	129 Å²	129	118.3 Å²	118.3	60%	0.603	62%	0.621	S	S	*	*	H	α-helix	trans	-66.8	-34.6	-169.3	-70.4	-166	155.5	0	0	114.3	D531	E527-D531 WeakPolarHBondContact O-CB 3.44Å; E527-D531 PolarHBondContact O-N 3.02Å
528	E	41.6	Very low	42.9	Very low	175 Å²	175	122.9 Å²	122.9	82%	0.818	62%	0.622	S	S	*	*	H	α-helix	trans	-77.2	-32.5	178.2	-71.4	-167.2	165	0	0	112.8	D526 S532	D526-E528 PolarHBondContact O-N 3.34Å; E528-S532 PolarHBondContact O-N 2.95Å; E528-S532 PolarHBondContact O-OG 2.92Å
529	K	35.9	Very low	43.2	Very low	130 Å²	130	125.4 Å²	125.4	57%	0.565	62%	0.618	S	S	*	*	H	α-helix	trans	-72.3	-38.7	173	-164.4	177.7	-178.6	-176.6	0	110.7	D526 S532 E533	D526-K529 PolarHBondContact O-N 2.79Å; K529-S532 PolarHBondContact O-N 3.06Å; K529-S532 PolarHBondContact O-OG 3.45Å; K529-S532 VanDerWaalsContact O-OG 3.06Å; K529-E533 WeakPolarHBondContact O-CB 3.34Å; K529-E533 PolarHBondContact O-N 3.34Å
530	Y	39.2	Very low	43.7	Very low	123 Å²	123	122.9 Å²	122.9	48%	0.482	59%	0.593	S	S	.	*	H	α-helix	trans	-65.8	-38.6	175.8	-136.4	-101.5	0	0	0	112.8	D526 Q534	D526-Y530 VanDerWaalsContact O-CB 3.25Å; D526-Y530 WeakPolarHBondContact O-CB 3.48Å; D526-Y530 PolarHBondContact O-N 2.8Å; Y530-Q534 HydrophobicContact CD1-CG 4.21Å; Y530-Q534 WeakPolarHBondContact O-CB 3.17Å; Y530-Q534 VanDerWaalsContact O-CG 3.3Å; Y530-Q534 WeakPolarHBondContact O-CG 3.4Å; Y530-Q534 PolarHBondContact O-N 3.29Å
531	D	36.3	Very low	44	Very low	76 Å²	76	117.1 Å²	117.1	41%	0.406	58%	0.575	S	S	.	*	H	α-helix	trans	-74	-30.5	179.9	-166	52.3	0	0	0	112.8	E527 K535	E527-D531 WeakPolarHBondContact O-CB 3.44Å; E527-D531 PolarHBondContact O-N 3.02Å; D531-K535 VanDerWaalsContact O-CB 3.28Å; D531-K535 WeakPolarHBondContact O-CB 3.16Å; D531-K535 WeakPolarHBondContact O-CG 3.26Å; D531-K535 PolarHBondContact O-N 3.45Å; D531-K535 IonicContact OD2-NZ 3.87Å; D531-K535 PolarHBondContact OD2-NZ 3.5Å
532	S	38.7	Very low	44.6	Very low	62 Å²	62	119 Å²	119	43%	0.434	57%	0.568	S	S	.	*	H	α-helix	trans	-75.8	-42.4	173.7	66.6	0	0	0	0	112.5	E528 K529 K535 K536	E528-S532 PolarHBondContact O-N 2.95Å; E528-S532 PolarHBondContact O-OG 2.92Å; K529-S532 PolarHBondContact O-N 3.06Å; K529-S532 PolarHBondContact O-OG 3.45Å; K529-S532 VanDerWaalsContact O-OG 3.06Å; S532-K535 PolarHBondContact O-N 3.48Å; S532-K536 WeakPolarHBondContact O-CB 3.43Å; S532-K536 PolarHBondContact O-N 2.83Å
533	E	43.1	Very low	45.5	Very low	103 Å²	103	116.6 Å²	116.6	48%	0.481	56%	0.555	S	S	.	*	H	α-helix	trans	-64	-39.6	171	-77.9	-178.1	179.3	0	0	111.8	K529 K536 Q537	K529-E533 WeakPolarHBondContact O-CB 3.34Å; K529-E533 PolarHBondContact O-N 3.34Å; E533-K536 PolarHBondContact O-N 2.96Å; E533-Q537 VanDerWaalsContact O-CB 3.32Å; E533-Q537 WeakPolarHBondContact O-CB 3.39Å; E533-Q537 WeakPolarHBondContact O-CG 3.38Å; E533-Q537 PolarHBondContact O-N 3.29Å
534	Q	41.7	Very low	46.2	Very low	100 Å²	100	113.2 Å²	113.2	47%	0.467	54%	0.537	S	S	.	.	H	α-helix	trans	-68.4	-36.7	173.8	-83.7	-171.2	-10.7	0	0	113.1	Y530 R538	Y530-Q534 HydrophobicContact CD1-CG 4.21Å; Y530-Q534 WeakPolarHBondContact O-CB 3.17Å; Y530-Q534 VanDerWaalsContact O-CG 3.3Å; Y530-Q534 WeakPolarHBondContact O-CG 3.4Å; Y530-Q534 PolarHBondContact O-N 3.29Å; Q534-R538 WeakPolarHBondContact O-CB 3.26Å; Q534-R538 PolarHBondContact O-N 3.43Å
535	K	41.8	Very low	47.2	Very low	123 Å²	123	108.6 Å²	108.6	54%	0.535	51%	0.509	S	S	.	.	H	α-helix	trans	-68.7	-37.2	174.7	-90.4	172.5	-179.4	136.5	0	112.3	D531 S532 R538 K539	D531-K535 VanDerWaalsContact O-CB 3.28Å; D531-K535 WeakPolarHBondContact O-CB 3.16Å; D531-K535 WeakPolarHBondContact O-CG 3.26Å; D531-K535 PolarHBondContact O-N 3.45Å; D531-K535 IonicContact OD2-NZ 3.87Å; D531-K535 PolarHBondContact OD2-NZ 3.5Å; S532-K535 PolarHBondContact O-N 3.48Å; K535-R538 PolarHBondContact O-N 2.9Å; K535-K539 PolarHBondContact O-N 2.92Å
536	K	44	Very low	48.6	Very low	78 Å²	78	107.7 Å²	107.7	34%	0.339	50%	0.495	S	S	.	.	H	α-helix	trans	-67.1	-49.6	174.4	-168.7	166.2	-178.7	161.2	0	110.9	E483 S532 E533 R538 K539 E540	E483-K536 IonicContact OE2-NZ 3.42Å; E483-K536 PolarHBondContact OE2-NZ 3.05Å; S532-K536 WeakPolarHBondContact O-CB 3.43Å; S532-K536 PolarHBondContact O-N 2.83Å; E533-K536 PolarHBondContact O-N 2.96Å; K536-R538 VanDerWaalsContact C-N 3.31Å; K536-R538 PolarHBondContact O-N 3.32Å; K536-K539 PolarHBondContact O-N 2.96Å; K536-E540 WeakPolarHBondContact O-CB 3.32Å; K536-E540 WeakPolarHBondContact O-CG 3.45Å; K536-E540 PolarHBondContact O-N 3.46Å
537	Q	46.7	Very low	49.6	Very low	98 Å²	98	106 Å²	106	46%	0.458	48%	0.484	S	S	.	.	H	α-helix	trans	-58.3	-38.1	171	-80.4	-171.6	-5.1	0	0	112.9	E533 K541	E533-Q537 VanDerWaalsContact O-CB 3.32Å; E533-Q537 WeakPolarHBondContact O-CB 3.39Å; E533-Q537 WeakPolarHBondContact O-CG 3.38Å; E533-Q537 PolarHBondContact O-N 3.29Å; Q537-K541 VanDerWaalsContact O-CB 3.25Å; Q537-K541 WeakPolarHBondContact O-CB 3.38Å; Q537-K541 WeakPolarHBondContact O-CG 3.33Å; Q537-K541 PolarHBondContact O-N 3.38Å
538	R	48.7	Very low	50.9	Low	199 Å²	199	100.8 Å²	100.8	75%	0.751	46%	0.461	S	S	*	.	H	α-helix	trans	-70.7	-33.9	178.9	-176.6	-176.2	-84.7	-119.9	3.1	112.3	Q534 K535 K536 H542	Q534-R538 WeakPolarHBondContact O-CB 3.26Å; Q534-R538 PolarHBondContact O-N 3.43Å; K535-R538 PolarHBondContact O-N 2.9Å; K536-R538 VanDerWaalsContact C-N 3.31Å; K536-R538 PolarHBondContact O-N 3.32Å; R538-H542 PolarHBondContact O-N 2.79Å
539	K	47.9	Very low	52.4	Low	133 Å²	133	96.3 Å²	96.3	58%	0.578	45%	0.445	S	S	*	.	H	α-helix	trans	-74.6	-42.4	173.3	-86.3	-177.6	176.1	177.5	0	112	K535 K536 H542 L543	K535-K539 PolarHBondContact O-N 2.92Å; K536-K539 PolarHBondContact O-N 2.96Å; K539-H542 PolarHBondContact O-N 3.11Å; K539-H542 VanDerWaalsContact O-N 3.11Å; K539-L543 PolarHBondContact O-N 3.26Å; K539-L543 VanDerWaalsContact O-N 3.1Å
540	E	51.8	Low	54.3	Low	69 Å²	69	95 Å²	95	32%	0.322	44%	0.443	S	S	.	.	H	α-helix	trans	-61.4	-45.1	175.2	-76.5	172.9	178.7	0	0	111.3	K536 H542 L543 L544	K536-E540 WeakPolarHBondContact O-CB 3.32Å; K536-E540 WeakPolarHBondContact O-CG 3.45Å; K536-E540 PolarHBondContact O-N 3.46Å; E540-H542 PolarHBondContact O-N 3.28Å; E540-L543 PolarHBondContact O-N 3.39Å; E540-L544 VanDerWaalsContact O-CB 3.28Å; E540-L544 WeakPolarHBondContact O-CB 3.33Å; E540-L544 PolarHBondContact O-N 3Å
541	K	53.8	Low	55.8	Low	114 Å²	114	91 Å²	91	50%	0.496	44%	0.44	S	S	.	.	H	α-helix	trans	-59.5	-24.9	172.9	-76.6	176.1	-178.8	-173.2	0	114.1	Q537 P545	Q537-K541 VanDerWaalsContact O-CB 3.25Å; Q537-K541 WeakPolarHBondContact O-CB 3.38Å; Q537-K541 WeakPolarHBondContact O-CG 3.33Å; Q537-K541 PolarHBondContact O-N 3.38Å; K541-P545 WeakPolarHBondContact O-CD 3.48Å
542	H	57.8	Low	57.8	Low	128 Å²	128	88.4 Å²	88.4	59%	0.593	43%	0.426	S	S	*	.	H	α-helix	trans	-90.9	-22.8	-179.3	-162.9	-74.9	0	0	0	113.1	R538 K539 E540 Y546	R538-H542 PolarHBondContact O-N 2.79Å; K539-H542 PolarHBondContact O-N 3.11Å; K539-H542 VanDerWaalsContact O-N 3.11Å; E540-H542 PolarHBondContact O-N 3.28Å; H542-Y546 VanDerWaalsContact O-CD2 3.25Å; H542-Y546 WeakPolarHBondContact O-CD2 3.27Å
543	L	63.6	Low	59.7	Low	99 Å²	99	87.4 Å²	87.4	52%	0.518	43%	0.425	S	S	.	.	H	α-helix	trans	-94	-28.4	178.2	-92.5	141.7	0	0	0	112.9	K539 E540 Y546 M547	K539-L543 PolarHBondContact O-N 3.26Å; K539-L543 VanDerWaalsContact O-N 3.1Å; E540-L543 PolarHBondContact O-N 3.39Å; L543-Y546 PolarHBondContact O-N 2.98Å; L543-M547 PolarHBondContact O-N 3.31Å
544	L	63.7	Low	61.3	Low	50 Å²	50	87.9 Å²	87.9	26%	0.262	43%	0.43	S	S	.	.	H	α-helix	trans	-56.9	-45	-179.8	-175.2	67.2	0	0	0	113.5	E540 Y546 M547 I548 I595	E540-L544 VanDerWaalsContact O-CB 3.28Å; E540-L544 WeakPolarHBondContact O-CB 3.33Å; E540-L544 PolarHBondContact O-N 3Å; L544-Y546 VanDerWaalsContact C-N 3.33Å; L544-Y546 PolarHBondContact O-N 3.23Å; L544-M547 HydrophobicContact CD1-CE 3.96Å; L544-M547 PolarHBondContact O-N 3.45Å; L544-I548 HydrophobicContact CD1-CD1 4.08Å; L544-I548 HydrophobicContact CD1-CG1 4.42Å; L544-I548 HydrophobicContact CG-CD1 3.87Å; L544-I548 VanDerWaalsContact O-CG1 3.28Å; L544-I548 WeakPolarHBondContact O-CG1 3.4Å; L544-I548 PolarHBondContact O-N 3.4Å; L544-I595 HydrophobicContact CD2-CG2 4.38Å
545	P	68.9	Low	62.8	Low	28 Å²	28	85.9 Å²	85.9	18%	0.182	42%	0.42	C	S	.	.	H	α-helix	trans	-60.6	-38.2	176.2	-27.2	37.9	0	0	0	113.9	K541 T549 L596	K541-P545 WeakPolarHBondContact O-CD 3.48Å; P545-T549 WeakPolarHBondContact O-CB 3.46Å; P545-T549 PolarHBondContact O-N 2.88Å; P545-T549 PolarHBondContact O-OG1 3.33Å; P545-L596 HydrophobicContact CB-CD2 3.55Å; P545-L596 HydrophobicContact CG-CD2 4.39Å
546	Y	69.6	Low	64.7	Low	145 Å²	145	82.5 Å²	82.5	57%	0.569	41%	0.408	S	S	*	.	H	α-helix	trans	-71.4	-39.7	179.3	-71.7	-74.7	0	0	0	111.8	H542 L543 L544 I550	H542-Y546 VanDerWaalsContact O-CD2 3.25Å; H542-Y546 WeakPolarHBondContact O-CD2 3.27Å; L543-Y546 PolarHBondContact O-N 2.98Å; L544-Y546 VanDerWaalsContact C-N 3.33Å; L544-Y546 PolarHBondContact O-N 3.23Å; Y546-I550 WeakPolarHBondContact O-CB 3.47Å; Y546-I550 WeakPolarHBondContact O-CD1 3.46Å; Y546-I550 WeakPolarHBondContact O-CG1 3.36Å; Y546-I550 PolarHBondContact O-N 3.42Å
547	M	65.6	Low	66.5	Low	63 Å²	63	85.4 Å²	85.4	31%	0.31	42%	0.421	S	S	.	.	H	α-helix	trans	-63.7	-45.1	176.6	-173.3	179.2	74.4	0	0	111.3	L543 L544 I550 G551	L543-M547 PolarHBondContact O-N 3.31Å; L544-M547 HydrophobicContact CD1-CE 3.96Å; L544-M547 PolarHBondContact O-N 3.45Å; M547-I550 PolarHBondContact O-N 3.45Å; M547-G551 PolarHBondContact O-N 2.97Å
548	I	69.2	Low	67.9	Low	21 Å²	21	83 Å²	83	11%	0.108	42%	0.418	C	S	.	.	H	α-helix	trans	-60.5	-53.4	176.7	-68	168.7	0	0	0	110	L544 I550 G551 D552 D592 I595	L544-I548 HydrophobicContact CD1-CD1 4.08Å; L544-I548 HydrophobicContact CD1-CG1 4.42Å; L544-I548 HydrophobicContact CG-CD1 3.87Å; L544-I548 VanDerWaalsContact O-CG1 3.28Å; L544-I548 WeakPolarHBondContact O-CG1 3.4Å; L544-I548 PolarHBondContact O-N 3.4Å; I548-I550 VanDerWaalsContact C-N 3.32Å; I548-I550 PolarHBondContact O-N 3.45Å; I548-G551 PolarHBondContact O-N 2.95Å; I548-D552 VanDerWaalsContact O-CB 3.25Å; I548-D552 WeakPolarHBondContact O-CB 3.45Å; I548-D552 PolarHBondContact O-N 3.42Å; I548-D592 HydrophobicContact CG2-CB 3.72Å; I548-D592 WeakPolarHBondContact CG2-OD1 3.18Å; I548-D592 VanDerWaalsContact CG2-OD2 3.31Å; I548-D592 WeakPolarHBondContact CG2-OD2 3.42Å; I548-I595 HydrophobicContact CD1-CB 4.26Å; I548-I595 HydrophobicContact CD1-CD1 4.33Å; I548-I595 HydrophobicContact CD1-CG2 3.59Å
549	T	72.6	Confident	69.5	Low	81 Å²	81	74.6 Å²	74.6	50%	0.497	39%	0.388	S	S	.	.	H	α-helix	trans	-61.1	-37.7	-178.1	-50.5	0	0	0	0	112.9	P545 G553	P545-T549 WeakPolarHBondContact O-CB 3.46Å; P545-T549 PolarHBondContact O-N 2.88Å; P545-T549 PolarHBondContact O-OG1 3.33Å; T549-G553 PolarHBondContact O-N 3.33Å; T549-G553 VanDerWaalsContact O-N 3.11Å
550	I	75.7	Confident	71.3	Confident	102 Å²	102	69.6 Å²	69.6	52%	0.523	38%	0.375	S	S	.	.	H	α-helix	trans	-73.6	-42.3	178.6	-68.7	168.1	0	0	0	111	Y546 M547 I548 G553 I554	Y546-I550 WeakPolarHBondContact O-CB 3.47Å; Y546-I550 WeakPolarHBondContact O-CD1 3.46Å; Y546-I550 WeakPolarHBondContact O-CG1 3.36Å; Y546-I550 PolarHBondContact O-N 3.42Å; M547-I550 PolarHBondContact O-N 3.45Å; I548-I550 VanDerWaalsContact C-N 3.32Å; I548-I550 PolarHBondContact O-N 3.45Å; I550-G553 PolarHBondContact O-N 3.36Å; I550-I554 HydrophobicContact CG2-CD1 4.22Å; I550-I554 WeakPolarHBondContact O-CG1 3.48Å; I550-I554 PolarHBondContact O-N 3.39Å
551	G	71.4	Confident	72.7	Confident	39 Å²	39	71.3 Å²	71.3	40%	0.402	39%	0.385	S	S	.	.	H	α-helix	trans	-61.9	-48.4	178	0	0	0	0	0	111.5	M547 I548 G553 I554 H555	M547-G551 PolarHBondContact O-N 2.97Å; I548-G551 PolarHBondContact O-N 2.95Å; G551-G553 PolarHBondContact O-N 2.87Å; G551-I554 PolarHBondContact O-N 3.3Å; G551-I554 VanDerWaalsContact O-N 3.17Å; G551-H555 PolarHBondContact O-N 3.13Å
552	D	77.1	Confident	73.8	Confident	21 Å²	21	67.6 Å²	67.6	11%	0.112	38%	0.376	C	S	.	.	H	α-helix	trans	-59.9	-42.9	176.4	-175.9	72.9	0	0	0	111.9	I548 I554 H555 N556 H588	I548-D552 VanDerWaalsContact O-CB 3.25Å; I548-D552 WeakPolarHBondContact O-CB 3.45Å; I548-D552 PolarHBondContact O-N 3.42Å; D552-I554 VanDerWaalsContact C-N 3.31Å; D552-I554 PolarHBondContact O-N 3.4Å; D552-H555 PolarHBondContact O-N 2.98Å; D552-N556 VanDerWaalsContact O-CB 3.29Å; D552-N556 WeakPolarHBondContact O-CB 3.33Å; D552-N556 PolarHBondContact O-N 3.15Å; D552-N556 PolarHBondContact O-ND2 3.34Å; D552-N556 PolarHBondContact OD2-ND2 3.05Å; D552-H588 IonicContact OD1-CE1 2.97Å; D552-H588 PolarHBondContact OD1-CE1 3.29Å; D552-H588 VanDerWaalsContact OD1-CE1 3.3Å; D552-H588 IonicContact OD1-ND1 3.12Å; D552-H588 PolarHBondContact OD1-ND1 2.86Å
553	G	78.3	Confident	75.1	Confident	41 Å²	41	61.6 Å²	61.6	42%	0.423	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-33.1	175.1	0	0	0	0	0	114.7	T549 I550 G551 F557	T549-G553 PolarHBondContact O-N 3.33Å; T549-G553 VanDerWaalsContact O-N 3.11Å; I550-G553 PolarHBondContact O-N 3.36Å; G551-G553 PolarHBondContact O-N 2.87Å; G553-F557 PolarHBondContact O-N 3.48Å
554	I	77.1	Confident	76	Confident	113 Å²	113	58.4 Å²	58.4	58%	0.579	34%	0.339	S	S	*	.	H	α-helix	trans	-76	-39.4	175.7	-67.6	169.8	0	0	0	110.7	I550 G551 D552 F557 A558	I550-I554 HydrophobicContact CG2-CD1 4.22Å; I550-I554 WeakPolarHBondContact O-CG1 3.48Å; I550-I554 PolarHBondContact O-N 3.39Å; G551-I554 PolarHBondContact O-N 3.3Å; G551-I554 VanDerWaalsContact O-N 3.17Å; D552-I554 VanDerWaalsContact C-N 3.31Å; D552-I554 PolarHBondContact O-N 3.4Å; I554-F557 PolarHBondContact O-N 2.86Å; I554-A558 PolarHBondContact O-N 2.95Å; I554-A558 VanDerWaalsContact O-N 3.09Å
555	H	72.7	Confident	76.7	Confident	58 Å²	58	58.5 Å²	58.5	27%	0.269	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-51.1	177.2	-161.6	118.2	0	0	0	110.8	G551 D552 F557 A558 D559 H584 E585	G551-H555 PolarHBondContact O-N 3.13Å; D552-H555 PolarHBondContact O-N 2.98Å; H555-F557 PolarHBondContact O-N 3.13Å; H555-A558 WeakPolarHBondContact O-CB 3.48Å; H555-A558 PolarHBondContact O-N 3.08Å; H555-D559 IonicContact CD2-OD1 3.29Å; H555-D559 IonicContact CD2-OD2 2.79Å; H555-D559 IonicContact NE2-OD1 2.81Å; H555-D559 IonicContact NE2-OD2 3.63Å; H555-D559 PolarHBondContact O-N 3.31Å; H555-H584 AromaticContact NE2-NE2 3.9Å; H555-E585 IonicContact CD2-OE1 3.09Å; H555-E585 PolarHBondContact CD2-OE1 2.95Å; H555-E585 IonicContact NE2-OE1 2.71Å
556	N	81.8	Confident	77	Confident	53 Å²	53	57.4 Å²	57.4	28%	0.283	34%	0.34	S	S	.	.	H	α-helix	trans	-57.1	-34.3	176.3	-89.3	-43.9	0	0	0	112.9	D552 G560 E589	D552-N556 VanDerWaalsContact O-CB 3.29Å; D552-N556 WeakPolarHBondContact O-CB 3.33Å; D552-N556 PolarHBondContact O-N 3.15Å; D552-N556 PolarHBondContact O-ND2 3.34Å; D552-N556 PolarHBondContact OD2-ND2 3.05Å; N556-G560 PolarHBondContact O-N 2.63Å; N556-G560 VanDerWaalsContact O-N 3.13Å; N556-E589 PolarHBondContact ND2-OE1 3.03Å; N556-E589 VanDerWaalsContact ND2-OE1 3.08Å
557	F	81.8	Confident	77.5	Confident	138 Å²	138	51 Å²	51	61%	0.605	32%	0.315	S	S	*	.	H	α-helix	trans	-69.5	-43.2	173.9	175.3	-103.9	0	0	0	112.5	G553 I554 H555 D559 G560 L561	G553-F557 PolarHBondContact O-N 3.48Å; I554-F557 PolarHBondContact O-N 2.86Å; H555-F557 PolarHBondContact O-N 3.13Å; F557-D559 VanDerWaalsContact C-N 3.33Å; F557-G560 PolarHBondContact O-N 3.26Å; F557-L561 HydrophobicContact CD1-CD1 4.07Å; F557-L561 HydrophobicContact CE1-CD1 3.44Å; F557-L561 VanDerWaalsContact CE1-CD1 3.44Å; F557-L561 HydrophobicContact CE1-CG 4.23Å; F557-L561 HydrophobicContact CE2-CD1 4.43Å; F557-L561 HydrophobicContact CE2-CG 4.43Å; F557-L561 HydrophobicContact CZ-CD1 3.65Å; F557-L561 HydrophobicContact CZ-CD2 4.38Å; F557-L561 HydrophobicContact CZ-CG 4.11Å; F557-L561 WeakPolarHBondContact O-CG 3.45Å; F557-L561 PolarHBondContact O-N 2.84Å; F557-L561 VanDerWaalsContact O-N 3.1Å
558	A	75.9	Confident	78.1	Confident	49 Å²	49	51 Å²	51	41%	0.405	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-40.6	177.9	0	0	0	0	0	111.5	I554 H555 L561 A562	I554-A558 PolarHBondContact O-N 2.95Å; I554-A558 VanDerWaalsContact O-N 3.09Å; H555-A558 WeakPolarHBondContact O-CB 3.48Å; H555-A558 PolarHBondContact O-N 3.08Å; A558-L561 WeakPolarHBondContact O-CB 3.31Å; A558-L561 PolarHBondContact O-N 3.27Å; A558-A562 PolarHBondContact O-N 3.45Å
559	D	82.5	Confident	78.2	Confident	21 Å²	21	56 Å²	56	11%	0.112	35%	0.347	C	S	.	.	H	α-helix	trans	-65.3	-41.8	177.7	-81.4	17.6	0	0	0	112.3	H555 F557 L561 A562 I563 V581 H584 E585	H555-D559 IonicContact CD2-OD1 3.29Å; H555-D559 IonicContact CD2-OD2 2.79Å; H555-D559 IonicContact NE2-OD1 2.81Å; H555-D559 IonicContact NE2-OD2 3.63Å; H555-D559 PolarHBondContact O-N 3.31Å; F557-D559 VanDerWaalsContact C-N 3.33Å; D559-L561 VanDerWaalsContact C-N 3.31Å; D559-L561 PolarHBondContact O-N 3.49Å; D559-A562 PolarHBondContact O-N 3.04Å; D559-I563 WeakPolarHBondContact O-CG1 3.18Å; D559-I563 PolarHBondContact O-N 3.27Å; D559-V581 HydrophobicContact CB-CG1 4Å; D559-V581 HydrophobicContact CB-CG2 4.27Å; D559-V581 WeakPolarHBondContact OD2-CG1 2.95Å; D559-H584 IonicContact OD2-CD2 3.98Å; D559-H584 IonicContact OD2-CE1 3.39Å; D559-H584 IonicContact OD2-NE2 3.54Å; D559-H584 PolarHBondContact OD2-NE2 3.28Å; D559-E585 VanDerWaalsContact OD2-OE1 3.06Å
560	G	85.4	Confident	78.1	Confident	29 Å²	29	54.1 Å²	54.1	30%	0.299	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-39.4	172.2	0	0	0	0	0	113	N556 F557 G564	N556-G560 PolarHBondContact O-N 2.63Å; N556-G560 VanDerWaalsContact O-N 3.13Å; F557-G560 PolarHBondContact O-N 3.26Å; G560-G564 PolarHBondContact O-N 3.25Å
561	L	82.4	Confident	78.1	Confident	104 Å²	104	53.8 Å²	53.8	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-41.3	174	-72	177.4	0	0	0	111.9	F557 A558 D559 G564 A565	F557-L561 HydrophobicContact CD1-CD1 4.07Å; F557-L561 HydrophobicContact CE1-CD1 3.44Å; F557-L561 VanDerWaalsContact CE1-CD1 3.44Å; F557-L561 HydrophobicContact CE1-CG 4.23Å; F557-L561 HydrophobicContact CE2-CD1 4.43Å; F557-L561 HydrophobicContact CE2-CG 4.43Å; F557-L561 HydrophobicContact CZ-CD1 3.65Å; F557-L561 HydrophobicContact CZ-CD2 4.38Å; F557-L561 HydrophobicContact CZ-CG 4.11Å; F557-L561 WeakPolarHBondContact O-CG 3.45Å; F557-L561 PolarHBondContact O-N 2.84Å; F557-L561 VanDerWaalsContact O-N 3.1Å; A558-L561 WeakPolarHBondContact O-CB 3.31Å; A558-L561 PolarHBondContact O-N 3.27Å; D559-L561 VanDerWaalsContact C-N 3.31Å; D559-L561 PolarHBondContact O-N 3.49Å; L561-G564 PolarHBondContact O-N 3.11Å; L561-A565 WeakPolarHBondContact O-CB 3.28Å; L561-A565 PolarHBondContact O-N 2.96Å
562	A	77	Confident	78.2	Confident	36 Å²	36	58.5 Å²	58.5	30%	0.298	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-45.8	179	0	0	0	0	0	112	A558 D559 G564 A565 A566 T577	A558-A562 PolarHBondContact O-N 3.45Å; D559-A562 PolarHBondContact O-N 3.04Å; A562-G564 PolarHBondContact O-N 3.24Å; A562-A565 PolarHBondContact O-N 2.96Å; A562-A566 WeakPolarHBondContact O-CB 3.19Å; A562-A566 PolarHBondContact O-N 3.5Å; A562-T577 HydrophobicContact CB-CG2 4.43Å
563	I	84.9	Confident	77.8	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-45.6	174.5	-68.8	170.4	0	0	0	110.5	A373 I380 D559 A565 A566 F567 T577 V581	A373-I563 HydrophobicContact CB-CG2 4.41Å; I380-I563 HydrophobicContact CD1-CD1 3.76Å; D559-I563 WeakPolarHBondContact O-CG1 3.18Å; D559-I563 PolarHBondContact O-N 3.27Å; I563-A565 PolarHBondContact O-N 3.42Å; I563-A566 PolarHBondContact O-N 3.38Å; I563-F567 HydrophobicContact CG2-CD2 3.67Å; I563-F567 HydrophobicContact CG2-CE2 3.77Å; I563-F567 WeakPolarHBondContact O-CD2 3.26Å; I563-F567 PolarHBondContact O-N 3.18Å; I563-T577 HydrophobicContact CG1-CG2 4.24Å; I563-V581 HydrophobicContact CD1-CB 4.04Å; I563-V581 HydrophobicContact CD1-CG1 3.92Å; I563-V581 HydrophobicContact CD1-CG2 4.1Å; I563-V581 HydrophobicContact CG1-CB 4.49Å; I563-V581 HydrophobicContact CG1-CG2 4.08Å
564	G	82.5	Confident	77.8	Confident	32 Å²	32	56.7 Å²	56.7	33%	0.33	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-44.7	177.9	0	0	0	0	0	112.7	G560 L561 A562 S568	G560-G564 PolarHBondContact O-N 3.25Å; L561-G564 PolarHBondContact O-N 3.11Å; A562-G564 PolarHBondContact O-N 3.24Å; G564-S568 WeakPolarHBondContact O-CB 3.36Å; G564-S568 PolarHBondContact O-N 3.48Å
565	A	77.8	Confident	78	Confident	53 Å²	53	55.4 Å²	55.4	44%	0.438	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-43.8	175.3	0	0	0	0	0	111.6	L561 A562 I563 S568 M569	L561-A565 WeakPolarHBondContact O-CB 3.28Å; L561-A565 PolarHBondContact O-N 2.96Å; A562-A565 PolarHBondContact O-N 2.96Å; I563-A565 PolarHBondContact O-N 3.42Å; A565-S568 WeakPolarHBondContact O-CB 3.38Å; A565-S568 PolarHBondContact O-N 3.26Å; A565-S568 VanDerWaalsContact O-N 3.12Å; A565-S568 PolarHBondContact O-OG 2.97Å; A565-M569 WeakPolarHBondContact O-CG 3.49Å; A565-M569 PolarHBondContact O-N 3.1Å
566	A	75.7	Confident	78.1	Confident	4 Å²	4	55 Å²	55	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-44.3	-179.2	0	0	0	0	0	113.1	A562 I563 S568 M569 S570 T577	A562-A566 WeakPolarHBondContact O-CB 3.19Å; A562-A566 PolarHBondContact O-N 3.5Å; I563-A566 PolarHBondContact O-N 3.38Å; A566-S568 PolarHBondContact O-N 3.03Å; A566-M569 WeakPolarHBondContact O-CB 3.46Å; A566-M569 PolarHBondContact O-N 3.19Å; A566-M569 VanDerWaalsContact O-N 3.15Å; A566-S570 PolarHBondContact O-N 3.18Å; A566-S570 VanDerWaalsContact O-N 3.1Å; A566-S570 VanDerWaalsContact O-O 3.05Å; A566-T577 HydrophobicContact CB-CG2 4.08Å; A566-T577 WeakPolarHBondContact CB-OG1 3.32Å
567	F	80.9	Confident	77.9	Confident	10 Å²	10	52.6 Å²	52.6	4%	0.044	30%	0.304	C	S	.	.	H	α-helix	trans	-68.3	-22.8	172.7	-83.1	-68.6	0	0	0	113.2	L364 A373 A376 I563 M569 W571 G574 S578	L364-F567 HydrophobicContact CD2-CD1 4.31Å; A373-F567 HydrophobicContact CB-CB 4.2Å; A373-F567 HydrophobicContact CB-CD2 3.81Å; A373-F567 HydrophobicContact CB-CG 4.26Å; A376-F567 HydrophobicContact CB-CE2 3.88Å; A376-F567 HydrophobicContact CB-CZ 4.27Å; I563-F567 HydrophobicContact CG2-CD2 3.67Å; I563-F567 HydrophobicContact CG2-CE2 3.77Å; I563-F567 WeakPolarHBondContact O-CD2 3.26Å; I563-F567 PolarHBondContact O-N 3.18Å; F567-M569 PolarHBondContact O-N 3.28Å; F567-W571 HydrophobicContact CD1-CB 4.44Å; F567-W571 HydrophobicContact CE1-CB 4.37Å; F567-G574 WeakPolarHBondContact CE2-O 3.27Å; F567-S578 WeakPolarHBondContact CE2-OG 3.28Å
568	S	78.1	Confident	78	Confident	63 Å²	63	46.4 Å²	46.4	44%	0.441	28%	0.278	S	S	.	.	H	α-helix	trans	-66.6	-29.5	173	85.5	0	0	0	0	112.1	K369 G564 A565 A566	K369-S568 PolarHBondContact NZ-O 3.37Å; G564-S568 WeakPolarHBondContact O-CB 3.36Å; G564-S568 PolarHBondContact O-N 3.48Å; A565-S568 WeakPolarHBondContact O-CB 3.38Å; A565-S568 PolarHBondContact O-N 3.26Å; A565-S568 VanDerWaalsContact O-N 3.12Å; A565-S568 PolarHBondContact O-OG 2.97Å; A566-S568 PolarHBondContact O-N 3.03Å
569	M	70.8	Confident	78.3	Confident	128 Å²	128	47.8 Å²	47.8	63%	0.631	28%	0.282	S	S	*	.	H	α-helix	trans	-83.3	-58.4	177.8	-60.1	174.4	75.6	0	0	111.8	A565 A566 F567	A565-M569 WeakPolarHBondContact O-CG 3.49Å; A565-M569 PolarHBondContact O-N 3.1Å; A566-M569 WeakPolarHBondContact O-CB 3.46Å; A566-M569 PolarHBondContact O-N 3.19Å; A566-M569 VanDerWaalsContact O-N 3.15Å; F567-M569 PolarHBondContact O-N 3.28Å
570	S	69.9	Low	77.9	Confident	40 Å²	40	47.9 Å²	47.9	28%	0.28	29%	0.285	S	S	.	.			trans	-159.9	158.5	177.6	65.8	0	0	0	0	111.7	A566 S573 G574	A566-S570 PolarHBondContact O-N 3.18Å; A566-S570 VanDerWaalsContact O-N 3.1Å; A566-S570 VanDerWaalsContact O-O 3.05Å; S570-S573 WeakPolarHBondContact OG-CB 3.42Å; S570-S573 PolarHBondContact OG-N 3.25Å; S570-G574 PolarHBondContact O-N 2.71Å
571	W	75.3	Confident	77.7	Confident	95 Å²	95	46.7 Å²	46.7	36%	0.36	27%	0.272	S	S	.	.	H	α-helix	trans	-71.4	-31.9	177.3	79.8	-112.4	0	0	0	113.5	E362 L364 F567 G574 L575	E362-W571 HydrophobicContact CB-CG 4.25Å; E362-W571 VanDerWaalsContact CD-CZ2 3.45Å; E362-W571 VanDerWaalsContact CG-CD1 3.42Å; E362-W571 HydrophobicContact CG-CG 4.45Å; E362-W571 HydrophobicContact CG-CZ2 4.46Å; E362-W571 WeakPolarHBondContact OE1-CZ2 3.2Å; E362-W571 PolarHBondContact OE1-NE1 2.87Å; E362-W571 PolarHBondContact OE2-NE1 3.31Å; L364-W571 HydrophobicContact CD1-CB 3.6Å; L364-W571 HydrophobicContact CD1-CG 3.95Å; L364-W571 HydrophobicContact CD2-CB 3.71Å; L364-W571 HydrophobicContact CG-CB 4.34Å; F567-W571 HydrophobicContact CD1-CB 4.44Å; F567-W571 HydrophobicContact CE1-CB 4.37Å; W571-G574 PolarHBondContact O-N 3.39Å; W571-L575 HydrophobicContact CE3-CB 4.23Å; W571-L575 HydrophobicContact CE3-CD2 4.17Å; W571-L575 HydrophobicContact CZ3-CD2 3.69Å; W571-L575 WeakPolarHBondContact O-CB 3.38Å; W571-L575 PolarHBondContact O-N 2.89Å
572	R	73.9	Confident	77.7	Confident	139 Å²	139	45 Å²	45	53%	0.525	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-46.4	173.4	-80.9	171.7	-160.7	121.8	-7	111.8	E362 L575 A576	E362-R572 VanDerWaalsContact CD-NE 3.29Å; E362-R572 IonicContact OE1-CZ 3.15Å; E362-R572 IonicContact OE1-NE 3.73Å; E362-R572 PolarHBondContact OE1-NE 3.04Å; E362-R572 IonicContact OE1-NH1 3.51Å; E362-R572 PolarHBondContact OE1-NH1 3.2Å; E362-R572 IonicContact OE1-NH2 2.81Å; E362-R572 PolarHBondContact OE1-NH2 3.48Å; E362-R572 WeakPolarHBondContact OE2-CD 3.32Å; E362-R572 WeakPolarHBondContact OE2-CG 3.38Å; E362-R572 IonicContact OE2-CZ 2.95Å; E362-R572 IonicContact OE2-NE 3.7Å; E362-R572 PolarHBondContact OE2-NE 3.41Å; E362-R572 VanDerWaalsContact OE2-NE 3.09Å; E362-R572 IonicContact OE2-NH1 2.93Å; E362-R572 PolarHBondContact OE2-NH1 2.92Å; E362-R572 IonicContact OE2-NH2 3.3Å; R572-L575 PolarHBondContact O-N 3.48Å; R572-A576 WeakPolarHBondContact O-CB 3.3Å; R572-A576 PolarHBondContact O-N 3.45Å
573	S	69.8	Low	77.7	Confident	23 Å²	23	45.4 Å²	45.4	16%	0.161	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-50.4	174.9	-177.6	0	0	0	0	110.3	S570 L575 A576 T577	S570-S573 WeakPolarHBondContact OG-CB 3.42Å; S570-S573 PolarHBondContact OG-N 3.25Å; S573-L575 VanDerWaalsContact C-N 3.32Å; S573-L575 PolarHBondContact O-N 3.13Å; S573-A576 PolarHBondContact O-N 3.24Å; S573-A576 VanDerWaalsContact O-N 3.15Å; S573-T577 PolarHBondContact O-N 2.93Å; S573-T577 PolarHBondContact O-OG1 3.28Å
574	G	78.1	Confident	77.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.3	-41.3	176.3	0	0	0	0	0	114.2	F567 S570 W571 S578	F567-G574 WeakPolarHBondContact CE2-O 3.27Å; S570-G574 PolarHBondContact O-N 2.71Å; W571-G574 PolarHBondContact O-N 3.39Å; G574-S578 VanDerWaalsContact O-CB 3.31Å; G574-S578 WeakPolarHBondContact O-CB 3.48Å; G574-S578 PolarHBondContact O-N 2.79Å; G574-S578 PolarHBondContact O-OG 2.96Å
575	L	81.1	Confident	76.9	Confident	87 Å²	87	44.1 Å²	44.1	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-66.9	-44.6	176.3	-179	65.3	0	0	0	111.6	W571 R572 S573 S578 V579	W571-L575 HydrophobicContact CE3-CB 4.23Å; W571-L575 HydrophobicContact CE3-CD2 4.17Å; W571-L575 HydrophobicContact CZ3-CD2 3.69Å; W571-L575 WeakPolarHBondContact O-CB 3.38Å; W571-L575 PolarHBondContact O-N 2.89Å; R572-L575 PolarHBondContact O-N 3.48Å; S573-L575 VanDerWaalsContact C-N 3.32Å; S573-L575 PolarHBondContact O-N 3.13Å; L575-S578 PolarHBondContact O-N 3.48Å; L575-V579 HydrophobicContact CD1-CG2 4.39Å; L575-V579 WeakPolarHBondContact O-CG2 3.49Å; L575-V579 PolarHBondContact O-N 3.15Å
576	A	74.1	Confident	76.8	Confident	49 Å²	49	43.9 Å²	43.9	41%	0.405	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-48.5	177.4	0	0	0	0	0	111.3	R572 S573 S578 V579 A580	R572-A576 WeakPolarHBondContact O-CB 3.3Å; R572-A576 PolarHBondContact O-N 3.45Å; S573-A576 PolarHBondContact O-N 3.24Å; S573-A576 VanDerWaalsContact O-N 3.15Å; A576-S578 VanDerWaalsContact C-N 3.33Å; A576-S578 PolarHBondContact O-N 3.27Å; A576-V579 PolarHBondContact O-N 3.35Å; A576-A580 WeakPolarHBondContact O-CB 3.3Å; A576-A580 PolarHBondContact O-N 3.47Å
577	T	78.3	Confident	76.6	Confident	3 Å²	3	44 Å²	44	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-42.3	174.9	-48	0	0	0	0	111.8	H422 A562 I563 A566 S573 V579 A580 V581	H422-T577 PolarHBondContact CE1-OG1 2.98Å; A562-T577 HydrophobicContact CB-CG2 4.43Å; I563-T577 HydrophobicContact CG1-CG2 4.24Å; A566-T577 HydrophobicContact CB-CG2 4.08Å; A566-T577 WeakPolarHBondContact CB-OG1 3.32Å; S573-T577 PolarHBondContact O-N 2.93Å; S573-T577 PolarHBondContact O-OG1 3.28Å; T577-V579 PolarHBondContact O-N 3.27Å; T577-A580 PolarHBondContact O-N 2.91Å; T577-V581 HydrophobicContact CG2-CG2 4.48Å; T577-V581 WeakPolarHBondContact O-CB 3.26Å; T577-V581 WeakPolarHBondContact O-CG2 3.47Å; T577-V581 PolarHBondContact O-N 2.83Å
578	S	84.6	Confident	76.2	Confident	8 Å²	8	45.5 Å²	45.5	6%	0.056	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-38.8	179	-59.8	0	0	0	0	112.5	A376 I380 F567 G574 L575 A576 F582	A376-S578 WeakPolarHBondContact CB-OG 3.38Å; I380-S578 WeakPolarHBondContact CD1-O 3.22Å; F567-S578 WeakPolarHBondContact CE2-OG 3.28Å; G574-S578 VanDerWaalsContact O-CB 3.31Å; G574-S578 WeakPolarHBondContact O-CB 3.48Å; G574-S578 PolarHBondContact O-N 2.79Å; G574-S578 PolarHBondContact O-OG 2.96Å; L575-S578 PolarHBondContact O-N 3.48Å; A576-S578 VanDerWaalsContact C-N 3.33Å; A576-S578 PolarHBondContact O-N 3.27Å; S578-F582 WeakPolarHBondContact O-CB 2.96Å; S578-F582 PolarHBondContact O-N 3.41Å
579	V	81.3	Confident	76.1	Confident	78 Å²	78	44.5 Å²	44.5	47%	0.473	23%	0.233	S	C	.	.	H	α-helix	trans	-69.1	-39.7	175.4	171.8	0	0	0	0	110.8	L575 A576 T577 F582 C583	L575-V579 HydrophobicContact CD1-CG2 4.39Å; L575-V579 WeakPolarHBondContact O-CG2 3.49Å; L575-V579 PolarHBondContact O-N 3.15Å; A576-V579 PolarHBondContact O-N 3.35Å; T577-V579 PolarHBondContact O-N 3.27Å; V579-F582 WeakPolarHBondContact O-CB 3.29Å; V579-F582 PolarHBondContact O-N 3.16Å; V579-C583 PolarHBondContact O-N 3.18Å; V579-C583 VanDerWaalsContact O-N 3.07Å; V579-C583 PolarHBondContact O-SG 3.47Å
580	A	73.9	Confident	76.2	Confident	22 Å²	22	39.2 Å²	39.2	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-51.1	175.9	0	0	0	0	0	111.4	D418 A576 T577 F582 C583 H584	D418-A580 HydrophobicContact CB-CB 4.3Å; A576-A580 WeakPolarHBondContact O-CB 3.3Å; A576-A580 PolarHBondContact O-N 3.47Å; T577-A580 PolarHBondContact O-N 2.91Å; A580-F582 PolarHBondContact O-N 2.03Å; A580-C583 WeakPolarHBondContact O-CB 3.06Å; A580-C583 PolarHBondContact O-N 3.45Å; A580-C583 VanDerWaalsContact O-N 3.08Å; A580-H584 PolarHBondContact O-N 2.9Å; A580-H584 PolarHBondContact O-ND1 2.98Å
581	V	81.9	Confident	76.2	Confident	4 Å²	4	38 Å²	38	2%	0.024	20%	0.2	C	C	.	.	H	α-helix	trans	-57.4	-48.2	175.5	168.9	0	0	0	0	111.4	I380 D559 I563 T577 C583 H584 E585	I380-V581 HydrophobicContact CD1-CB 4.46Å; I380-V581 HydrophobicContact CD1-CG1 4.13Å; D559-V581 HydrophobicContact CB-CG1 4Å; D559-V581 HydrophobicContact CB-CG2 4.27Å; D559-V581 WeakPolarHBondContact OD2-CG1 2.95Å; I563-V581 HydrophobicContact CD1-CB 4.04Å; I563-V581 HydrophobicContact CD1-CG1 3.92Å; I563-V581 HydrophobicContact CD1-CG2 4.1Å; I563-V581 HydrophobicContact CG1-CB 4.49Å; I563-V581 HydrophobicContact CG1-CG2 4.08Å; T577-V581 HydrophobicContact CG2-CG2 4.48Å; T577-V581 WeakPolarHBondContact O-CB 3.26Å; T577-V581 WeakPolarHBondContact O-CG2 3.47Å; T577-V581 PolarHBondContact O-N 2.83Å; V581-C583 PolarHBondContact O-N 3.31Å; V581-C583 VanDerWaalsContact O-N 3.16Å; V581-H584 PolarHBondContact O-CD2 2.89Å; V581-H584 PolarHBondContact O-N 3.48Å; V581-H584 VanDerWaalsContact O-N 3.14Å; V581-E585 HydrophobicContact CG1-CG 3.72Å; V581-E585 WeakPolarHBondContact O-CB 3.4Å; V581-E585 WeakPolarHBondContact O-CG 3.25Å; V581-E585 PolarHBondContact O-N 2.99Å
582	F	82.8	Confident	76.1	Confident	69 Å²	69	33.8 Å²	33.8	30%	0.303	19%	0.185	S	C	.	.	H	α-helix	trans	-53	-39.8	176.1	174.9	-103.2	0	0	0	113	I380 T383 S578 V579 A580 L586	I380-F582 HydrophobicContact CD1-CB 4.44Å; I380-F582 HydrophobicContact CG1-CB 4.06Å; I380-F582 HydrophobicContact CG1-CD2 4.22Å; T383-F582 HydrophobicContact CG2-CE2 3.59Å; T383-F582 HydrophobicContact CG2-CZ 3.95Å; S578-F582 WeakPolarHBondContact O-CB 2.96Å; S578-F582 PolarHBondContact O-N 3.41Å; V579-F582 WeakPolarHBondContact O-CB 3.29Å; V579-F582 PolarHBondContact O-N 3.16Å; A580-F582 PolarHBondContact O-N 2.03Å; F582-L586 HydrophobicContact CE2-CD1 3.95Å; F582-L586 HydrophobicContact CZ-CD1 3.74Å; F582-L586 PolarHBondContact O-N 3.28Å
583	C	76.4	Confident	76.1	Confident	44 Å²	44	29.7 Å²	29.7	30%	0.297	17%	0.171	S	C	.	.	H	α-helix	trans	-71.7	-25.2	-177.2	-75.7	0	0	0	0	114.2	S414 V579 A580 V581 P587	S414-C583 PolarHBondContact OG-O 3.28Å; V579-C583 PolarHBondContact O-N 3.18Å; V579-C583 VanDerWaalsContact O-N 3.07Å; V579-C583 PolarHBondContact O-SG 3.47Å; A580-C583 WeakPolarHBondContact O-CB 3.06Å; A580-C583 PolarHBondContact O-N 3.45Å; A580-C583 VanDerWaalsContact O-N 3.08Å; V581-C583 PolarHBondContact O-N 3.31Å; V581-C583 VanDerWaalsContact O-N 3.16Å; C583-P587 VanDerWaalsContact O-CD 3.29Å; C583-P587 WeakPolarHBondContact O-CD 3.49Å; C583-P587 WeakPolarHBondContact O-CG 3.48Å
584	H	74.1	Confident	76	Confident	5 Å²	5	29.5 Å²	29.5	2%	0.023	17%	0.171	C	C	.	.	H	α-helix	trans	-97.7	-29.9	172.5	56.2	-119.6	0	0	0	114.1	S414 L415 H555 D559 A580 V581 P587 H588	S414-H584 WeakPolarHBondContact OG-CA 3.22Å; S414-H584 VanDerWaalsContact OG-CB 3.25Å; S414-H584 WeakPolarHBondContact OG-CB 3Å; S414-H584 PolarHBondContact OG-N 3.32Å; L415-H584 HydrophobicContact CD1-CB 4.5Å; L415-H584 HydrophobicContact CD2-CB 3.83Å; L415-H584 WeakPolarHBondContact CD2-ND1 3.44Å; L415-H584 HydrophobicContact CG-CB 3.73Å; H555-H584 AromaticContact NE2-NE2 3.9Å; D559-H584 IonicContact OD2-CD2 3.98Å; D559-H584 IonicContact OD2-CE1 3.39Å; D559-H584 IonicContact OD2-NE2 3.54Å; D559-H584 PolarHBondContact OD2-NE2 3.28Å; A580-H584 PolarHBondContact O-N 2.9Å; A580-H584 PolarHBondContact O-ND1 2.98Å; V581-H584 PolarHBondContact O-CD2 2.89Å; V581-H584 PolarHBondContact O-N 3.48Å; V581-H584 VanDerWaalsContact O-N 3.14Å; H584-P587 WeakPolarHBondContact O-CD 3.39Å; H584-H588 WeakPolarHBondContact O-CB 3.38Å; H584-H588 PolarHBondContact O-N 2.98Å; H584-H588 VanDerWaalsContact O-N 3.1Å
585	E	77.2	Confident	75.4	Confident	3 Å²	3	30 Å²	30	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-70.9	-41.8	-178	-78.3	-57.6	158.1	0	0	112.9	I380 H555 D559 V581 H588 E589	I380-E585 HydrophobicContact CG2-CB 4.23Å; H555-E585 IonicContact CD2-OE1 3.09Å; H555-E585 PolarHBondContact CD2-OE1 2.95Å; H555-E585 IonicContact NE2-OE1 2.71Å; D559-E585 VanDerWaalsContact OD2-OE1 3.06Å; V581-E585 HydrophobicContact CG1-CG 3.72Å; V581-E585 WeakPolarHBondContact O-CB 3.4Å; V581-E585 WeakPolarHBondContact O-CG 3.25Å; V581-E585 PolarHBondContact O-N 2.99Å; E585-H588 PolarHBondContact O-N 3.15Å; E585-H588 VanDerWaalsContact O-N 3.1Å; E585-E589 WeakPolarHBondContact O-CB 3.13Å; E585-E589 WeakPolarHBondContact O-CG 3.29Å; E585-E589 PolarHBondContact O-N 3.48Å
586	L	75.6	Confident	74.8	Confident	48 Å²	48	28.5 Å²	28.5	25%	0.251	17%	0.166	S	C	.	.	H	α-helix	trans	-58.8	-44.6	179.1	177.5	152.9	0	0	0	112.2	T383 F582 L590	T383-L586 HydrophobicContact CG2-CD1 3.97Å; F582-L586 HydrophobicContact CE2-CD1 3.95Å; F582-L586 HydrophobicContact CZ-CD1 3.74Å; F582-L586 PolarHBondContact O-N 3.28Å; L586-L590 VanDerWaalsContact O-CB 3.22Å; L586-L590 WeakPolarHBondContact O-CB 3.43Å; L586-L590 PolarHBondContact O-N 3.46Å
587	P	69.7	Low	74.4	Confident	6 Å²	6	29.8 Å²	29.8	4%	0.039	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-43	168.3	-34	40.8	0	0	0	116.9	C407 M410 A411 C583 H584 L590 G591	C407-P587 HydrophobicContact CB-CB 3.71Å; C407-P587 HydrophobicContact CB-CG 4.25Å; C407-P587 WeakPolarHBondContact O-CB 3.49Å; M410-P587 HydrophobicContact CB-CG 4.07Å; M410-P587 HydrophobicContact CG-CG 4.05Å; M410-P587 HydrophobicContact SD-CG 3.85Å; A411-P587 HydrophobicContact CB-CB 3.84Å; A411-P587 HydrophobicContact CB-CG 4.49Å; C583-P587 VanDerWaalsContact O-CD 3.29Å; C583-P587 WeakPolarHBondContact O-CD 3.49Å; C583-P587 WeakPolarHBondContact O-CG 3.48Å; H584-P587 WeakPolarHBondContact O-CD 3.39Å; P587-L590 PolarHBondContact O-N 3.17Å; P587-G591 PolarHBondContact O-N 3.34Å
588	H	73.1	Confident	73.4	Confident	41 Å²	41	33 Å²	33	19%	0.19	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-52.8	-174.5	-167.9	-95.8	0	0	0	110.3	D552 H584 E585 L590 G591 D592	D552-H588 IonicContact OD1-CE1 2.97Å; D552-H588 PolarHBondContact OD1-CE1 3.29Å; D552-H588 VanDerWaalsContact OD1-CE1 3.3Å; D552-H588 IonicContact OD1-ND1 3.12Å; D552-H588 PolarHBondContact OD1-ND1 2.86Å; H584-H588 WeakPolarHBondContact O-CB 3.38Å; H584-H588 PolarHBondContact O-N 2.98Å; H584-H588 VanDerWaalsContact O-N 3.1Å; E585-H588 PolarHBondContact O-N 3.15Å; E585-H588 VanDerWaalsContact O-N 3.1Å; H588-L590 VanDerWaalsContact C-N 3.31Å; H588-L590 PolarHBondContact O-N 3.26Å; H588-G591 WeakPolarHBondContact O-CA 3.3Å; H588-G591 PolarHBondContact O-N 3.31Å; H588-D592 IonicContact CE1-OD2 2.79Å; H588-D592 PolarHBondContact CE1-OD2 3Å; H588-D592 IonicContact ND1-OD2 3.27Å; H588-D592 PolarHBondContact ND1-OD2 2.65Å; H588-D592 IonicContact NE2-OD2 2.64Å; H588-D592 PolarHBondContact O-N 3.32Å
589	E	75.9	Confident	72.1	Confident	43 Å²	43	33.8 Å²	33.8	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-38.2	177.9	-70.5	-78.2	-166.9	0	0	112.5	A384 N556 E585 F593	A384-E589 HydrophobicContact CB-CB 4.12Å; A384-E589 HydrophobicContact CB-CG 4.02Å; N556-E589 PolarHBondContact ND2-OE1 3.03Å; N556-E589 VanDerWaalsContact ND2-OE1 3.08Å; E585-E589 WeakPolarHBondContact O-CB 3.13Å; E585-E589 WeakPolarHBondContact O-CG 3.29Å; E585-E589 PolarHBondContact O-N 3.48Å; E589-F593 VanDerWaalsContact O-CB 3.23Å; E589-F593 WeakPolarHBondContact O-CB 3.48Å; E589-F593 PolarHBondContact O-N 3.18Å
590	L	73.9	Confident	71	Confident	17 Å²	17	31.7 Å²	31.7	9%	0.089	18%	0.176	C	C	.	.	H	α-helix	trans	-68.1	-37.1	176.7	-173.4	144.6	0	0	0	111.8	L391 I404 C407 L586 P587 H588 A594	L391-L590 HydrophobicContact CD1-CG 3.97Å; L391-L590 HydrophobicContact CD2-CD1 4.04Å; L391-L590 HydrophobicContact CD2-CD2 3.87Å; L391-L590 HydrophobicContact CD2-CG 3.74Å; L391-L590 HydrophobicContact CG-CD1 4.26Å; L391-L590 HydrophobicContact CG-CG 4.04Å; I404-L590 HydrophobicContact CD1-CD2 3.36Å; I404-L590 HydrophobicContact CG1-CD2 4.29Å; C407-L590 HydrophobicContact CB-CD2 4.41Å; L586-L590 VanDerWaalsContact O-CB 3.22Å; L586-L590 WeakPolarHBondContact O-CB 3.43Å; L586-L590 PolarHBondContact O-N 3.46Å; P587-L590 PolarHBondContact O-N 3.17Å; H588-L590 VanDerWaalsContact C-N 3.31Å; H588-L590 PolarHBondContact O-N 3.26Å; L590-A594 WeakPolarHBondContact O-CB 3.43Å; L590-A594 PolarHBondContact O-N 3.14Å
591	G	69.5	Low	70	Confident	14 Å²	14	37.3 Å²	37.3	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-68.5	-49.4	174.5	0	0	0	0	0	112.1	P587 H588 F593 A594 I595	P587-G591 PolarHBondContact O-N 3.34Å; H588-G591 WeakPolarHBondContact O-CA 3.3Å; H588-G591 PolarHBondContact O-N 3.31Å; G591-F593 PolarHBondContact O-N 2.8Å; G591-A594 WeakPolarHBondContact O-CB 3.35Å; G591-A594 PolarHBondContact O-N 3.4Å; G591-I595 VanDerWaalsContact O-CG1 3.26Å; G591-I595 WeakPolarHBondContact O-CG1 3.43Å; G591-I595 PolarHBondContact O-N 3.43Å
592	D	73.4	Confident	68.7	Low	6 Å²	6	42 Å²	42	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-42.4	-178.9	-77.1	-4.2	0	0	0	111.6	H498 I548 H588 A594 I595 L596	H498-D592 IonicContact CE1-OD1 3.28Å; I548-D592 HydrophobicContact CG2-CB 3.72Å; I548-D592 WeakPolarHBondContact CG2-OD1 3.18Å; I548-D592 VanDerWaalsContact CG2-OD2 3.31Å; I548-D592 WeakPolarHBondContact CG2-OD2 3.42Å; H588-D592 IonicContact CE1-OD2 2.79Å; H588-D592 PolarHBondContact CE1-OD2 3Å; H588-D592 IonicContact ND1-OD2 3.27Å; H588-D592 PolarHBondContact ND1-OD2 2.65Å; H588-D592 IonicContact NE2-OD2 2.64Å; H588-D592 PolarHBondContact O-N 3.32Å; D592-A594 VanDerWaalsContact C-N 3.35Å; D592-A594 PolarHBondContact O-N 2.98Å; D592-I595 PolarHBondContact O-N 2.86Å; D592-L596 WeakPolarHBondContact O-CB 3.36Å; D592-L596 VanDerWaalsContact O-CG 3.23Å; D592-L596 WeakPolarHBondContact O-CG 3.43Å; D592-L596 PolarHBondContact O-N 3.42Å
593	F	73.2	Confident	67.2	Low	54 Å²	54	44 Å²	44	24%	0.237	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-40.5	173.8	-172.9	-91.5	0	0	0	112.4	I388 L391 E589 G591 I595 L596 L597	I388-F593 HydrophobicContact CG1-CD2 4.45Å; I388-F593 HydrophobicContact CG2-CE1 4.02Å; I388-F593 HydrophobicContact CG2-CE2 4.17Å; I388-F593 HydrophobicContact CG2-CZ 3.75Å; L391-F593 HydrophobicContact CD1-CB 4.28Å; L391-F593 HydrophobicContact CD1-CD1 3.49Å; L391-F593 VanDerWaalsContact CD1-CD1 3.49Å; L391-F593 HydrophobicContact CD1-CE1 4.26Å; L391-F593 HydrophobicContact CD1-CG 4.27Å; E589-F593 VanDerWaalsContact O-CB 3.23Å; E589-F593 WeakPolarHBondContact O-CB 3.48Å; E589-F593 PolarHBondContact O-N 3.18Å; G591-F593 PolarHBondContact O-N 2.8Å; F593-I595 VanDerWaalsContact C-N 3.3Å; F593-I595 PolarHBondContact O-N 3.01Å; F593-L596 PolarHBondContact O-N 3.3Å; F593-L597 HydrophobicContact CE1-CB 4.37Å; F593-L597 HydrophobicContact CE1-CD2 4.18Å; F593-L597 VanDerWaalsContact O-CB 3.24Å; F593-L597 WeakPolarHBondContact O-CB 3.32Å; F593-L597 PolarHBondContact O-N 3.41Å
594	A	67.4	Low	66	Low	19 Å²	19	43.6 Å²	43.6	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-39.5	176.4	0	0	0	0	0	111.9	F400 I404 L590 G591 D592 H598	F400-A594 HydrophobicContact CZ-CB 3.91Å; I404-A594 HydrophobicContact CD1-CB 3.93Å; L590-A594 WeakPolarHBondContact O-CB 3.43Å; L590-A594 PolarHBondContact O-N 3.14Å; G591-A594 WeakPolarHBondContact O-CB 3.35Å; G591-A594 PolarHBondContact O-N 3.4Å; D592-A594 VanDerWaalsContact C-N 3.35Å; D592-A594 PolarHBondContact O-N 2.98Å; A594-H598 WeakPolarHBondContact O-CB 3.25Å; A594-H598 PolarHBondContact O-N 3.27Å; A594-H598 VanDerWaalsContact O-N 3.09Å
595	I	65.9	Low	65.1	Low	11 Å²	11	46.3 Å²	46.3	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-70.1	-44.3	177.2	-60.6	167.6	0	0	0	111	V501 L544 I548 G591 D592 F593 H598 S599	V501-I595 HydrophobicContact CB-CG1 4.25Å; V501-I595 HydrophobicContact CG1-CG1 4.01Å; V501-I595 HydrophobicContact CG2-CD1 3.97Å; V501-I595 HydrophobicContact CG2-CG1 3.84Å; V501-I595 HydrophobicContact CG2-CG2 4.12Å; L544-I595 HydrophobicContact CD2-CG2 4.38Å; I548-I595 HydrophobicContact CD1-CB 4.26Å; I548-I595 HydrophobicContact CD1-CD1 4.33Å; I548-I595 HydrophobicContact CD1-CG2 3.59Å; G591-I595 VanDerWaalsContact O-CG1 3.26Å; G591-I595 WeakPolarHBondContact O-CG1 3.43Å; G591-I595 PolarHBondContact O-N 3.43Å; D592-I595 PolarHBondContact O-N 2.86Å; F593-I595 VanDerWaalsContact C-N 3.3Å; F593-I595 PolarHBondContact O-N 3.01Å; I595-H598 PolarHBondContact O-N 2.89Å; I595-S599 VanDerWaalsContact O-CB 3.28Å; I595-S599 WeakPolarHBondContact O-CB 3.33Å; I595-S599 PolarHBondContact O-N 3.02Å; I595-S599 PolarHBondContact O-OG 3.03Å
596	L	68.3	Low	63.9	Low	55 Å²	55	52.2 Å²	52.2	29%	0.288	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-41.7	177.2	-71.6	173.5	0	0	0	111.5	P545 D592 F593 S599 A600	P545-L596 HydrophobicContact CB-CD2 3.55Å; P545-L596 HydrophobicContact CG-CD2 4.39Å; D592-L596 WeakPolarHBondContact O-CB 3.36Å; D592-L596 VanDerWaalsContact O-CG 3.23Å; D592-L596 WeakPolarHBondContact O-CG 3.43Å; D592-L596 PolarHBondContact O-N 3.42Å; F593-L596 PolarHBondContact O-N 3.3Å; L596-S599 CarbonylContact O-C 3.58Å; L596-S599 PolarHBondContact O-N 3.3Å; L596-A600 VanDerWaalsContact O-CB 3.22Å; L596-A600 WeakPolarHBondContact O-CB 3.48Å; L596-A600 PolarHBondContact O-N 3.22Å
597	L	65.4	Low	62.9	Low	76 Å²	76	55.9 Å²	55.9	40%	0.398	31%	0.307	S	S	.	.	H	α-helix	trans	-66.1	-38.2	176.7	-174.5	67.3	0	0	0	112	F593 S599 I609	F593-L597 HydrophobicContact CE1-CB 4.37Å; F593-L597 HydrophobicContact CE1-CD2 4.18Å; F593-L597 VanDerWaalsContact O-CB 3.24Å; F593-L597 WeakPolarHBondContact O-CB 3.32Å; F593-L597 PolarHBondContact O-N 3.41Å; L597-S599 VanDerWaalsContact C-N 3.35Å; L597-I609 HydrophobicContact CD1-CD1 4.08Å
598	H	58.7	Low	62.3	Low	70 Å²	70	64.6 Å²	64.6	32%	0.324	34%	0.339	S	S	.	.	H	α-helix	trans	-72.7	-29.3	176.5	-171.3	65.1	0	0	0	112.5	Y505 E508 A594 I595	Y505-H598 AromaticContact CD2-CE1 3.87Å; E508-H598 IonicContact OE2-CE1 3.73Å; E508-H598 PolarHBondContact OE2-CE1 3.12Å; E508-H598 VanDerWaalsContact OE2-CE1 3.28Å; E508-H598 IonicContact OE2-NE2 2.72Å; A594-H598 WeakPolarHBondContact O-CB 3.25Å; A594-H598 PolarHBondContact O-N 3.27Å; A594-H598 VanDerWaalsContact O-N 3.09Å; I595-H598 PolarHBondContact O-N 2.89Å
599	S	56.6	Low	61.6	Low	25 Å²	25	65.5 Å²	65.5	18%	0.175	35%	0.345	C	S	.	.	H	α-helix	trans	-87.7	-15.5	177	-53	0	0	0	0	113.3	I595 L596 L597 T601	I595-S599 VanDerWaalsContact O-CB 3.28Å; I595-S599 WeakPolarHBondContact O-CB 3.33Å; I595-S599 PolarHBondContact O-N 3.02Å; I595-S599 PolarHBondContact O-OG 3.03Å; L596-S599 CarbonylContact O-C 3.58Å; L596-S599 PolarHBondContact O-N 3.3Å; L597-S599 VanDerWaalsContact C-N 3.35Å; S599-T601 VanDerWaalsContact C-N 3.34Å; S599-T601 PolarHBondContact O-N 3.44Å
600	A	58.1	Low	60.4	Low	34 Å²	34	65.4 Å²	65.4	28%	0.281	36%	0.355	S	S	.	.			trans	-70.3	87.8	177.3	0	0	0	0	0	110.3	L596 D602	L596-A600 VanDerWaalsContact O-CB 3.22Å; L596-A600 WeakPolarHBondContact O-CB 3.48Å; L596-A600 PolarHBondContact O-N 3.22Å; A600-D602 VanDerWaalsContact C-N 3.34Å
601	T	52.4	Low	59.5	Low	139 Å²	139	67.2 Å²	67.2	85%	0.853	37%	0.373	S	S	*	.			trans	-87.7	2	179.8	47.7	0	0	0	0	113.8	S599	S599-T601 VanDerWaalsContact C-N 3.34Å; S599-T601 PolarHBondContact O-N 3.44Å
602	D	54.3	Low	58.7	Low	103 Å²	103	70.9 Å²	70.9	55%	0.551	39%	0.392	S	S	*	.			trans	-91	119	-176.5	-161	16.1	0	0	0	111.9	A600 A604 T605	A600-D602 VanDerWaalsContact C-N 3.34Å; D602-A604 PolarHBondContact O-N 3.48Å; D602-A604 VanDerWaalsContact O-N 3.1Å; D602-T605 PolarHBondContact O-N 2.93Å
603	L	51	Low	57.5	Low	112 Å²	112	72.1 Å²	72.1	59%	0.586	40%	0.403	S	S	*	.	H	α-helix	trans	-58.7	-27	-175.2	-160.1	71.6	0	0	0	111.9	Q607	L603-Q607 VanDerWaalsContact O-CG 3.26Å; L603-Q607 WeakPolarHBondContact O-CG 3.48Å; L603-Q607 PolarHBondContact O-N 3.39Å; L603-Q607 VanDerWaalsContact O-N 3.14Å
604	A	53.2	Low	56.7	Low	35 Å²	35	72.5 Å²	72.5	29%	0.289	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-41.3	175.8	0	0	0	0	0	112.3	D602 Q607 W608	D602-A604 PolarHBondContact O-N 3.48Å; D602-A604 VanDerWaalsContact O-N 3.1Å; A604-Q607 PolarHBondContact O-N 3.08Å; A604-W608 PolarHBondContact O-N 3.48Å
605	T	54.7	Low	55.9	Low	61 Å²	61	73.5 Å²	73.5	37%	0.374	43%	0.429	S	S	.	.	H	α-helix	trans	-68.3	-40.2	-178.8	-53.6	0	0	0	0	111.4	D602 Q607 W608 I609	D602-T605 PolarHBondContact O-N 2.93Å; T605-Q607 VanDerWaalsContact C-N 3.33Å; T605-Q607 PolarHBondContact O-N 3.22Å; T605-W608 PolarHBondContact O-N 3.37Å; T605-I609 HydrophobicContact CG2-CD1 4.01Å; T605-I609 VanDerWaalsContact O-CG1 3.27Å; T605-I609 WeakPolarHBondContact O-CG1 3.4Å; T605-I609 PolarHBondContact O-N 3.5Å
606	Q	52.3	Low	55.1	Low	127 Å²	127	78.1 Å²	78.1	59%	0.593	45%	0.453	S	S	*	.	H	α-helix	trans	-62.8	-39.3	173	-72.8	-174.3	-24	0	0	112.2	G610	Q606-G610 PolarHBondContact O-N 2.95Å
607	Q	53	Low	54.5	Low	126 Å²	126	83.3 Å²	83.3	59%	0.589	47%	0.474	S	S	*	.	H	α-helix	trans	-66.4	-40.6	176.1	-73.7	173.2	-11.7	0	0	112.4	L603 A604 T605 G610 A611	L603-Q607 VanDerWaalsContact O-CG 3.26Å; L603-Q607 WeakPolarHBondContact O-CG 3.48Å; L603-Q607 PolarHBondContact O-N 3.39Å; L603-Q607 VanDerWaalsContact O-N 3.14Å; A604-Q607 PolarHBondContact O-N 3.08Å; T605-Q607 VanDerWaalsContact C-N 3.33Å; T605-Q607 PolarHBondContact O-N 3.22Å; Q607-G610 PolarHBondContact O-N 2.75Å; Q607-A611 VanDerWaalsContact O-CB 3.29Å; Q607-A611 WeakPolarHBondContact O-CB 3.49Å; Q607-A611 PolarHBondContact O-N 3.27Å
608	W	58.4	Low	54.1	Low	188 Å²	188	85 Å²	85	71%	0.712	48%	0.482	S	S	*	.	H	α-helix	trans	-67	-42.6	176.2	-77.1	114	0	0	0	112.4	A604 T605 A611 V612	A604-W608 PolarHBondContact O-N 3.48Å; T605-W608 PolarHBondContact O-N 3.37Å; W608-A611 PolarHBondContact O-N 3.07Å; W608-V612 WeakPolarHBondContact O-CG2 3.48Å; W608-V612 PolarHBondContact O-N 3.21Å
609	I	57.1	Low	53.9	Low	60 Å²	60	89.4 Å²	89.4	31%	0.308	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-45.4	175	-67.3	167	0	0	0	110.3	L392 L597 T605 A611 V612 A613	L392-I609 HydrophobicContact CD2-CG2 4.11Å; L597-I609 HydrophobicContact CD1-CD1 4.08Å; T605-I609 HydrophobicContact CG2-CD1 4.01Å; T605-I609 VanDerWaalsContact O-CG1 3.27Å; T605-I609 WeakPolarHBondContact O-CG1 3.4Å; T605-I609 PolarHBondContact O-N 3.5Å; I609-A611 VanDerWaalsContact C-N 3.34Å; I609-A611 PolarHBondContact O-N 2.95Å; I609-V612 PolarHBondContact O-N 3.26Å; I609-A613 WeakPolarHBondContact O-CB 3.29Å; I609-A613 PolarHBondContact O-N 3.4Å
610	G	51.5	Low	53.7	Low	41 Å²	41	91.6 Å²	91.6	42%	0.423	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-41	175.1	0	0	0	0	0	112.9	Q606 Q607 A613 A614	Q606-G610 PolarHBondContact O-N 2.95Å; Q607-G610 PolarHBondContact O-N 2.75Å; G610-A613 PolarHBondContact O-N 3.44Å; G610-A614 WeakPolarHBondContact O-CB 3.48Å; G610-A614 PolarHBondContact O-N 2.91Å
611	A	54.7	Low	53.6	Low	55 Å²	55	91.8 Å²	91.8	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-65.7	-40.3	177.3	0	0	0	0	0	112.5	Q607 W608 I609 G615	Q607-A611 VanDerWaalsContact O-CB 3.29Å; Q607-A611 WeakPolarHBondContact O-CB 3.49Å; Q607-A611 PolarHBondContact O-N 3.27Å; W608-A611 PolarHBondContact O-N 3.07Å; I609-A611 VanDerWaalsContact C-N 3.34Å; I609-A611 PolarHBondContact O-N 2.95Å; A611-G615 PolarHBondContact O-N 3.25Å
612	V	52.1	Low	53.5	Low	91 Å²	91	89.8 Å²	89.8	55%	0.552	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-45.1	175.5	171.7	0	0	0	0	110.8	W608 I609 A614 G615 L616	W608-V612 WeakPolarHBondContact O-CG2 3.48Å; W608-V612 PolarHBondContact O-N 3.21Å; I609-V612 PolarHBondContact O-N 3.26Å; V612-A614 PolarHBondContact O-N 3.18Å; V612-G615 PolarHBondContact O-N 3.3Å; V612-L616 HydrophobicContact CG1-CD1 4.25Å; V612-L616 PolarHBondContact O-N 2.74Å
613	A	49.9	Very low	53.1	Low	32 Å²	32	87 Å²	87	26%	0.264	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-44.9	176.7	0	0	0	0	0	112	I609 G610 G615 L616 F617	I609-A613 WeakPolarHBondContact O-CB 3.29Å; I609-A613 PolarHBondContact O-N 3.4Å; G610-A613 PolarHBondContact O-N 3.44Å; A613-G615 VanDerWaalsContact C-N 3.31Å; A613-G615 PolarHBondContact O-N 3.34Å; A613-L616 PolarHBondContact O-N 2.85Å; A613-F617 WeakPolarHBondContact O-CD2 3.4Å; A613-F617 PolarHBondContact O-N 3.18Å
614	A	55.9	Low	53.1	Low	63 Å²	63	86.2 Å²	86.2	52%	0.521	49%	0.485	S	S	.	.	H	α-helix	trans	-60.7	-40.2	174.8	0	0	0	0	0	112	G610 V612 F617 L618	G610-A614 WeakPolarHBondContact O-CB 3.48Å; G610-A614 PolarHBondContact O-N 2.91Å; V612-A614 PolarHBondContact O-N 3.18Å; A614-F617 PolarHBondContact O-N 3.45Å; A614-L618 WeakPolarHBondContact O-CB 3.34Å; A614-L618 PolarHBondContact O-N 3.33Å
615	G	50.8	Low	53.4	Low	40 Å²	40	89.6 Å²	89.6	41%	0.412	50%	0.497	S	S	.	.	H	α-helix	trans	-61.5	-42.2	174.4	0	0	0	0	0	113.2	A611 V612 A613 L618 Y619	A611-G615 PolarHBondContact O-N 3.25Å; V612-G615 PolarHBondContact O-N 3.3Å; A613-G615 VanDerWaalsContact C-N 3.31Å; A613-G615 PolarHBondContact O-N 3.34Å; G615-L618 PolarHBondContact O-N 2.74Å; G615-Y619 WeakPolarHBondContact O-CB 3.16Å; G615-Y619 PolarHBondContact O-N 3.38Å
616	L	48.4	Very low	53.6	Low	108 Å²	108	90.5 Å²	90.5	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-66.5	-44.9	177	-73.9	168.4	0	0	0	112.3	V612 A613 L618 Y619 V620	V612-L616 HydrophobicContact CG1-CD1 4.25Å; V612-L616 PolarHBondContact O-N 2.74Å; A613-L616 PolarHBondContact O-N 2.85Å; L616-L618 VanDerWaalsContact C-N 3.32Å; L616-L618 PolarHBondContact O-N 3.04Å; L616-Y619 PolarHBondContact O-N 2.89Å; L616-V620 WeakPolarHBondContact O-CG2 3.46Å; L616-V620 PolarHBondContact O-N 3.2Å
617	F	55.5	Low	53.8	Low	164 Å²	164	87.2 Å²	87.2	72%	0.719	49%	0.489	S	S	*	.	H	α-helix	trans	-63.2	-38.8	176.1	-78.5	-61.9	0	0	0	112.4	A613 A614 V620 G621	A613-F617 WeakPolarHBondContact O-CD2 3.4Å; A613-F617 PolarHBondContact O-N 3.18Å; A614-F617 PolarHBondContact O-N 3.45Å; F617-V620 PolarHBondContact O-N 2.92Å; F617-G621 PolarHBondContact O-N 2.9Å
618	L	56.4	Low	54.1	Low	110 Å²	110	85.3 Å²	85.3	58%	0.576	49%	0.485	S	S	*	.	H	α-helix	trans	-64.1	-42.4	174.2	-176.6	64.1	0	0	0	111.5	A614 G615 L616 G621 L622	A614-L618 WeakPolarHBondContact O-CB 3.34Å; A614-L618 PolarHBondContact O-N 3.33Å; G615-L618 PolarHBondContact O-N 2.74Å; L616-L618 VanDerWaalsContact C-N 3.32Å; L616-L618 PolarHBondContact O-N 3.04Å; L618-G621 PolarHBondContact O-N 3.32Å; L618-L622 HydrophobicContact CD1-CD1 3.82Å; L618-L622 HydrophobicContact CD1-CG 4.17Å; L618-L622 HydrophobicContact CG-CD1 3.88Å; L618-L622 WeakPolarHBondContact O-CB 3.28Å; L618-L622 WeakPolarHBondContact O-CG 3.23Å; L618-L622 PolarHBondContact O-N 3.26Å
619	Y	55.5	Low	54.1	Low	163 Å²	163	80 Å²	80	64%	0.639	47%	0.471	S	S	*	.	H	α-helix	trans	-61.3	-46.9	176.5	177.4	-99	0	0	0	111.7	G615 L616 G621 L622 A623	G615-Y619 WeakPolarHBondContact O-CB 3.16Å; G615-Y619 PolarHBondContact O-N 3.38Å; L616-Y619 PolarHBondContact O-N 2.89Å; Y619-G621 VanDerWaalsContact C-N 3.34Å; Y619-G621 PolarHBondContact O-N 3.36Å; Y619-L622 PolarHBondContact O-N 2.99Å; Y619-A623 HydrophobicContact CD1-CB 4.41Å; Y619-A623 HydrophobicContact CD2-CB 3.97Å; Y619-A623 HydrophobicContact CE1-CB 4.11Å; Y619-A623 HydrophobicContact CE2-CB 3.64Å; Y619-A623 HydrophobicContact CG-CB 4.35Å; Y619-A623 WeakPolarHBondContact O-CB 3.36Å; Y619-A623 PolarHBondContact O-N 3.43Å
620	V	52.2	Low	54.1	Low	72 Å²	72	82.4 Å²	82.4	44%	0.436	49%	0.488	S	S	.	.	I	π-helix	trans	-61	-43.3	176.7	173.7	0	0	0	0	111.1	L616 F617 L622 D624 M625	L616-V620 WeakPolarHBondContact O-CG2 3.46Å; L616-V620 PolarHBondContact O-N 3.2Å; F617-V620 PolarHBondContact O-N 2.92Å; V620-L622 VanDerWaalsContact C-N 3.34Å; V620-L622 PolarHBondContact O-N 3.47Å; V620-D624 HydrophobicContact CG1-CB 4.5Å; V620-D624 WeakPolarHBondContact O-CB 3.41Å; V620-D624 PolarHBondContact O-N 3.04Å; V620-M625 PolarHBondContact O-N 2.91Å
621	G	55.3	Low	54.5	Low	37 Å²	37	88 Å²	88	38%	0.381	50%	0.503	S	S	.	.	I	π-helix	trans	-61.5	-38.7	176.7	0	0	0	0	0	113.8	F617 L618 Y619 L626	F617-G621 PolarHBondContact O-N 2.9Å; L618-G621 PolarHBondContact O-N 3.32Å; Y619-G621 VanDerWaalsContact C-N 3.34Å; Y619-G621 PolarHBondContact O-N 3.36Å; G621-L626 PolarHBondContact O-N 3.35Å
622	L	51.8	Low	54.7	Low	98 Å²	98	89.3 Å²	89.3	51%	0.513	51%	0.505	S	S	.	.	I	π-helix	trans	-91.3	-38.3	-175.1	-69.8	176.6	0	0	0	114.5	L618 Y619 V620 L626	L618-L622 HydrophobicContact CD1-CD1 3.82Å; L618-L622 HydrophobicContact CD1-CG 4.17Å; L618-L622 HydrophobicContact CG-CD1 3.88Å; L618-L622 WeakPolarHBondContact O-CB 3.28Å; L618-L622 WeakPolarHBondContact O-CG 3.23Å; L618-L622 PolarHBondContact O-N 3.26Å; Y619-L622 PolarHBondContact O-N 2.99Å; V620-L622 VanDerWaalsContact C-N 3.34Å; V620-L622 PolarHBondContact O-N 3.47Å; L622-L626 HydrophobicContact CD2-CD2 4.28Å; L622-L626 WeakPolarHBondContact O-CB 3.38Å
623	A	45	Very low	55	Low	44 Å²	44	90.6 Å²	90.6	36%	0.364	52%	0.518	S	S	.	.	I	π-helix	trans	-90.6	-33.3	-174.3	0	0	0	0	0	112.4	Y619 P627	Y619-A623 HydrophobicContact CD1-CB 4.41Å; Y619-A623 HydrophobicContact CD2-CB 3.97Å; Y619-A623 HydrophobicContact CE1-CB 4.11Å; Y619-A623 HydrophobicContact CE2-CB 3.64Å; Y619-A623 HydrophobicContact CG-CB 4.35Å; Y619-A623 WeakPolarHBondContact O-CB 3.36Å; Y619-A623 PolarHBondContact O-N 3.43Å; A623-P627 WeakPolarHBondContact O-CD 3.4Å; A623-P627 VanDerWaalsContact O-CG 3.27Å; A623-P627 WeakPolarHBondContact O-CG 3.4Å
624	D	52.3	Low	55.6	Low	95 Å²	95	91.4 Å²	91.4	51%	0.508	52%	0.521	S	S	.	.	I	π-helix	trans	-100.7	-53.3	-175.9	-169.1	36.6	0	0	0	111.7	V620 P627 T628	V620-D624 HydrophobicContact CG1-CB 4.5Å; V620-D624 WeakPolarHBondContact O-CB 3.41Å; V620-D624 PolarHBondContact O-N 3.04Å; D624-P627 WeakPolarHBondContact O-CD 3.49Å; D624-T628 PolarHBondContact O-OG1 3.19Å
625	M	58.8	Low	56.2	Low	107 Å²	107	98.4 Å²	98.4	53%	0.527	54%	0.54	S	S	.	.	I	π-helix	trans	-78.8	-31.1	-174.1	-65.6	-70.1	149.6	0	0	113.9	V620 T628 L629	V620-M625 PolarHBondContact O-N 2.91Å; M625-T628 PolarHBondContact O-N 2.92Å; M625-L629 WeakPolarHBondContact O-CG 3.5Å; M625-L629 PolarHBondContact O-N 2.82Å
626	L	58.2	Low	57.3	Low	79 Å²	79	104.3 Å²	104.3	41%	0.414	55%	0.55	S	S	.	*	H	α-helix	trans	-69.1	-44	-177.2	-168.1	68.5	0	0	0	113.5	G621 L622 T628 L629 V630	G621-L626 PolarHBondContact O-N 3.35Å; L622-L626 HydrophobicContact CD2-CD2 4.28Å; L622-L626 WeakPolarHBondContact O-CB 3.38Å; L626-T628 VanDerWaalsContact C-N 3.26Å; L626-T628 PolarHBondContact O-N 3.3Å; L626-L629 WeakPolarHBondContact O-CB 3.26Å; L626-L629 PolarHBondContact O-N 2.86Å; L626-L629 VanDerWaalsContact O-N 3.11Å; L626-V630 WeakPolarHBondContact O-CG2 3.32Å; L626-V630 PolarHBondContact O-N 3.32Å
627	P	56.2	Low	58.1	Low	59 Å²	59	103.2 Å²	103.2	38%	0.383	55%	0.55	S	S	.	.	H	α-helix	trans	-61.1	-33.1	176	-25.1	36.5	0	0	0	113.5	A623 D624 L629 V630 H631	A623-P627 WeakPolarHBondContact O-CD 3.4Å; A623-P627 VanDerWaalsContact O-CG 3.27Å; A623-P627 WeakPolarHBondContact O-CG 3.4Å; D624-P627 WeakPolarHBondContact O-CD 3.49Å; P627-L629 VanDerWaalsContact C-N 3.31Å; P627-L629 PolarHBondContact O-N 3.34Å; P627-V630 PolarHBondContact O-N 3.03Å; P627-H631 PolarHBondContact O-N 3.16Å; P627-H631 VanDerWaalsContact O-N 3.11Å; P627-H631 PolarHBondContact O-ND1 2.79Å; P627-H631 VanDerWaalsContact O-ND1 3.12Å
628	T	60.5	Low	59	Low	85 Å²	85	105.4 Å²	105.4	52%	0.521	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-35	175.5	-31	0	0	0	0	111.5	D624 M625 L626 V630 V632	D624-T628 PolarHBondContact O-OG1 3.19Å; M625-T628 PolarHBondContact O-N 2.92Å; L626-T628 VanDerWaalsContact C-N 3.26Å; L626-T628 PolarHBondContact O-N 3.3Å; T628-V630 VanDerWaalsContact C-N 3.35Å; T628-V632 VanDerWaalsContact O-CG2 3.24Å; T628-V632 WeakPolarHBondContact O-CG2 3.24Å
629	L	57.4	Low	59.7	Low	77 Å²	77	106 Å²	106	40%	0.403	55%	0.553	S	S	.	*	H	α-helix	trans	-70.9	-29.2	175.2	-68.2	170.3	0	0	0	112.7	M625 L626 P627 Q644	M625-L629 WeakPolarHBondContact O-CG 3.5Å; M625-L629 PolarHBondContact O-N 2.82Å; L626-L629 WeakPolarHBondContact O-CB 3.26Å; L626-L629 PolarHBondContact O-N 2.86Å; L626-L629 VanDerWaalsContact O-N 3.11Å; P627-L629 VanDerWaalsContact C-N 3.31Å; P627-L629 PolarHBondContact O-N 3.34Å; L629-Q644 HydrophobicContact CD2-CG 4.48Å; L629-Q644 PolarHBondContact O-NE2 3.25Å
630	V	58.6	Low	60.1	Low	110 Å²	110	101.3 Å²	101.3	67%	0.667	54%	0.536	S	S	*	.	H	α-helix	trans	-83.1	-33.5	-177.9	175.6	0	0	0	0	112.7	L626 P627 T628 V632	L626-V630 WeakPolarHBondContact O-CG2 3.32Å; L626-V630 PolarHBondContact O-N 3.32Å; P627-V630 PolarHBondContact O-N 3.03Å; T628-V630 VanDerWaalsContact C-N 3.35Å; V630-V632 PolarHBondContact O-N 2.92Å
631	H	58.7	Low	60.8	Low	159 Å²	159	102.1 Å²	102.1	74%	0.736	54%	0.537	S	S	*	.	S	Bend	trans	-85.2	0.7	-172.4	-81.5	83.3	0	0	0	115.8	P627 S633	P627-H631 PolarHBondContact O-N 3.16Å; P627-H631 VanDerWaalsContact O-N 3.11Å; P627-H631 PolarHBondContact O-ND1 2.79Å; P627-H631 VanDerWaalsContact O-ND1 3.12Å; H631-S633 PolarHBondContact O-N 2.9Å; H631-S633 VanDerWaalsContact O-N 3.14Å
632	V	58.4	Low	61.5	Low	82 Å²	82	106.5 Å²	106.5	50%	0.497	55%	0.551	S	S	.	*			trans	-88.8	85.1	-173.5	171.6	0	0	0	0	112	T628 V630 K640	T628-V632 VanDerWaalsContact O-CG2 3.24Å; T628-V632 WeakPolarHBondContact O-CG2 3.24Å; V630-V632 PolarHBondContact O-N 2.92Å; V632-K640 PolarHBondContact O-NZ 3.28Å
633	S	58.4	Low	62.4	Low	119 Å²	119	108.1 Å²	108.1	83%	0.832	56%	0.56	S	S	*	*			trans	-56.6	141	177.8	-173.6	0	0	0	0	113.2	H631 K640	H631-S633 PolarHBondContact O-N 2.9Å; H631-S633 VanDerWaalsContact O-N 3.14Å; S633-K640 PolarHBondContact O-NZ 2.85Å
634	S	63.1	Low	63.3	Low	48 Å²	48	109.1 Å²	109.1	34%	0.336	56%	0.557	S	S	.	*			trans	-143.7	147.2	-176.1	-160.3	0	0	0	0	112.4	R636 K640	S634-R636 PolarHBondContact O-N 3.43Å; S634-R636 PolarHBondContact OG-N 2.93Å; S634-K640 VanDerWaalsContact CB-CD 3.46Å; S634-K640 WeakPolarHBondContact OG-CE 3.37Å; S634-K640 PolarHBondContact OG-NZ 2.84Å
635	K	68.3	Low	64.2	Low	210 Å²	210	109 Å²	109	91%	0.913	56%	0.556	S	S	*	*	S	Bend	trans	-69.7	-13.1	171.2	-66	-175.9	178.4	-179.1	0	113.8
636	R	73.4	Confident	64.7	Low	165 Å²	165	105.6 Å²	105.6	62%	0.623	55%	0.545	S	S	*	.			trans	-133	85.4	177.5	-64.8	-174.8	-176	171.5	0.5	111.1	S634 Q639	S634-R636 PolarHBondContact O-N 3.43Å; S634-R636 PolarHBondContact OG-N 2.93Å; R636-Q639 HydrophobicContact CB-CB 4.44Å
637	P	66.8	Low	65.2	Low	85 Å²	85	104 Å²	104	55%	0.552	55%	0.547	S	S	*	.	H	α-helix	trans	-66.9	-39.6	-171	24.6	-33.3	0	0	0	113.1	Q639 K640 L641	P637-Q639 PolarHBondContact O-N 3.03Å; P637-K640 PolarHBondContact O-N 2.99Å; P637-L641 PolarHBondContact O-N 3.02Å
638	W	73.8	Confident	65.8	Low	210 Å²	210	104.5 Å²	104.5	80%	0.795	55%	0.546	S	S	*	.	H	α-helix	trans	-64	-35.9	-178.8	-71.1	102.5	0	0	0	113.8	L642	W638-L642 WeakPolarHBondContact O-CB 3.41Å; W638-L642 PolarHBondContact O-N 3.17Å
639	Q	70.4	Confident	66.1	Low	123 Å²	123	105.1 Å²	105.1	58%	0.575	55%	0.546	S	S	*	.	H	α-helix	trans	-70.8	-37.4	177.6	-72.3	-176.3	-27.1	0	0	112	R636 P637 L643	R636-Q639 HydrophobicContact CB-CB 4.44Å; P637-Q639 PolarHBondContact O-N 3.03Å; Q639-L643 WeakPolarHBondContact O-CB 3.44Å; Q639-L643 PolarHBondContact O-N 3.27Å
640	K	64	Low	66.8	Low	64 Å²	64	106.5 Å²	106.5	28%	0.278	55%	0.553	S	S	.	*	H	α-helix	trans	-67.5	-44.2	174.4	-78	-159.9	-178.8	163	0	111.7	V632 S633 S634 P637 L642 L643 Q644	V632-K640 PolarHBondContact O-NZ 3.28Å; S633-K640 PolarHBondContact O-NZ 2.85Å; S634-K640 VanDerWaalsContact CB-CD 3.46Å; S634-K640 WeakPolarHBondContact OG-CE 3.37Å; S634-K640 PolarHBondContact OG-NZ 2.84Å; P637-K640 PolarHBondContact O-N 2.99Å; K640-L642 VanDerWaalsContact C-N 3.27Å; K640-L642 PolarHBondContact O-N 2.94Å; K640-L643 PolarHBondContact O-N 2.81Å; K640-Q644 WeakPolarHBondContact O-CB 2.98Å; K640-Q644 WeakPolarHBondContact O-CG 3.31Å; K640-Q644 PolarHBondContact O-N 3.26Å
641	L	68.1	Low	67.1	Low	89 Å²	89	102.8 Å²	102.8	47%	0.466	54%	0.537	S	S	.	.	H	α-helix	trans	-60.2	-41	178.1	-173.2	138.4	0	0	0	111.1	P637 N645	P637-L641 PolarHBondContact O-N 3.02Å; L641-N645 WeakPolarHBondContact O-CB 3.47Å; L641-N645 PolarHBondContact O-N 3.28Å; L641-N645 PolarHBondContact O-ND2 3.3Å
642	L	70.5	Confident	67.8	Low	128 Å²	128	104 Å²	104	67%	0.67	54%	0.535	S	S	*	.	H	α-helix	trans	-68.4	-39.9	177.2	-155.7	143.5	0	0	0	111.9	W638 K640 A646	W638-L642 WeakPolarHBondContact O-CB 3.41Å; W638-L642 PolarHBondContact O-N 3.17Å; K640-L642 VanDerWaalsContact C-N 3.27Å; K640-L642 PolarHBondContact O-N 2.94Å; L642-A646 VanDerWaalsContact O-CB 3.22Å; L642-A646 WeakPolarHBondContact O-CB 3.47Å; L642-A646 PolarHBondContact O-N 2.81Å
643	L	69.3	Low	68.3	Low	132 Å²	132	104 Å²	104	69%	0.691	53%	0.531	S	S	*	.	H	α-helix	trans	-68.5	-40.7	177	-169	67.3	0	0	0	112.8	Q639 K640 A646 G647	Q639-L643 WeakPolarHBondContact O-CB 3.44Å; Q639-L643 PolarHBondContact O-N 3.27Å; K640-L643 PolarHBondContact O-N 2.81Å; L643-A646 PolarHBondContact O-N 2.9Å; L643-G647 PolarHBondContact O-N 3.41Å
644	Q	64.9	Low	68.3	Low	65 Å²	65	101.1 Å²	101.1	30%	0.304	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-46.4	177	-75.4	175.3	-33.6	0	0	111.4	L629 K640 A646 G647 I648	L629-Q644 HydrophobicContact CD2-CG 4.48Å; L629-Q644 PolarHBondContact O-NE2 3.25Å; K640-Q644 WeakPolarHBondContact O-CB 2.98Å; K640-Q644 WeakPolarHBondContact O-CG 3.31Å; K640-Q644 PolarHBondContact O-N 3.26Å; Q644-A646 VanDerWaalsContact C-N 3.33Å; Q644-A646 PolarHBondContact O-N 3.07Å; Q644-G647 PolarHBondContact O-N 2.94Å; Q644-I648 WeakPolarHBondContact O-CG1 3.1Å; Q644-I648 PolarHBondContact O-N 3.15Å
645	N	70.3	Confident	68.5	Low	92 Å²	92	104.4 Å²	104.4	49%	0.492	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-36	176.2	-77.7	-75.9	0	0	0	111.9	L641 L649	L641-N645 WeakPolarHBondContact O-CB 3.47Å; L641-N645 PolarHBondContact O-N 3.28Å; L641-N645 PolarHBondContact O-ND2 3.3Å; N645-L649 WeakPolarHBondContact O-CB 3.42Å; N645-L649 PolarHBondContact O-N 3.06Å
646	A	70.5	Confident	68.2	Low	37 Å²	37	99.3 Å²	99.3	31%	0.306	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-43.3	173	0	0	0	0	0	111.8	L642 L643 Q644 L649 I650	L642-A646 VanDerWaalsContact O-CB 3.22Å; L642-A646 WeakPolarHBondContact O-CB 3.47Å; L642-A646 PolarHBondContact O-N 2.81Å; L643-A646 PolarHBondContact O-N 2.9Å; Q644-A646 VanDerWaalsContact C-N 3.33Å; Q644-A646 PolarHBondContact O-N 3.07Å; A646-L649 PolarHBondContact O-N 3.2Å; A646-I650 WeakPolarHBondContact O-CB 3.04Å; A646-I650 WeakPolarHBondContact O-CD1 3.4Å; A646-I650 WeakPolarHBondContact O-CG1 3.43Å; A646-I650 PolarHBondContact O-N 3.48Å
647	G	66.9	Low	67.9	Low	44 Å²	44	95.6 Å²	95.6	45%	0.454	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-45.8	176.6	0	0	0	0	0	113.2	L643 Q644 I650 G651	L643-G647 PolarHBondContact O-N 3.41Å; Q644-G647 PolarHBondContact O-N 2.94Å; G647-I650 PolarHBondContact O-N 3.18Å; G647-G651 PolarHBondContact O-N 2.91Å
648	I	69.3	Low	67.7	Low	71 Å²	71	96.5 Å²	96.5	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-45.5	176.5	-65.9	167.1	0	0	0	110.5	Q644 G651 W652	Q644-I648 WeakPolarHBondContact O-CG1 3.1Å; Q644-I648 PolarHBondContact O-N 3.15Å; I648-G651 PolarHBondContact O-N 3.07Å; I648-W652 HydrophobicContact CG2-CD2 4.12Å; I648-W652 HydrophobicContact CG2-CH2 4.35Å; I648-W652 HydrophobicContact CG2-CZ2 3.92Å; I648-W652 PolarHBondContact O-N 3.32Å
649	L	67.3	Low	67.1	Low	97 Å²	97	90 Å²	90	51%	0.508	49%	0.485	S	S	.	.	H	α-helix	trans	-65.4	-42	-179.2	-164.8	106.4	0	0	0	112.1	N645 A646 G651 W652 I653	N645-L649 WeakPolarHBondContact O-CB 3.42Å; N645-L649 PolarHBondContact O-N 3.06Å; A646-L649 PolarHBondContact O-N 3.2Å; L649-G651 VanDerWaalsContact C-N 3.33Å; L649-W652 PolarHBondContact O-N 3.44Å; L649-I653 HydrophobicContact CD2-CD1 3.64Å; L649-I653 HydrophobicContact CG-CD1 3.92Å; L649-I653 WeakPolarHBondContact O-CB 3.37Å; L649-I653 VanDerWaalsContact O-CG1 3.26Å; L649-I653 WeakPolarHBondContact O-CG1 3.01Å; L649-I653 PolarHBondContact O-N 2.96Å
650	I	73.1	Confident	67	Low	107 Å²	107	89.8 Å²	89.8	55%	0.549	49%	0.487	S	S	.	.	H	α-helix	trans	-62.5	-42.5	175.2	-70.3	164.5	0	0	0	110.3	A646 G647 I653 S654	A646-I650 WeakPolarHBondContact O-CB 3.04Å; A646-I650 WeakPolarHBondContact O-CD1 3.4Å; A646-I650 WeakPolarHBondContact O-CG1 3.43Å; A646-I650 PolarHBondContact O-N 3.48Å; G647-I650 PolarHBondContact O-N 3.18Å; I650-I653 PolarHBondContact O-N 3.44Å; I650-S654 WeakPolarHBondContact O-CB 3.36Å; I650-S654 PolarHBondContact O-N 3.42Å; I650-S654 PolarHBondContact O-OG 3.41Å
651	G	64.8	Low	67.2	Low	32 Å²	32	92.9 Å²	92.9	33%	0.33	50%	0.498	S	S	.	.	H	α-helix	trans	-58.5	-48.4	174.9	0	0	0	0	0	112.3	G647 I648 L649 S654 L655	G647-G651 PolarHBondContact O-N 2.91Å; I648-G651 PolarHBondContact O-N 3.07Å; L649-G651 VanDerWaalsContact C-N 3.33Å; G651-S654 PolarHBondContact O-N 3Å; G651-L655 WeakPolarHBondContact O-CG 3.05Å; G651-L655 PolarHBondContact O-N 3.32Å
652	W	72.8	Confident	66.8	Low	183 Å²	183	95 Å²	95	69%	0.693	51%	0.505	S	S	*	.	H	α-helix	trans	-63.7	-43.7	177.3	-71.5	-6.2	0	0	0	113.3	I648 L649 S654 L655 L656	I648-W652 HydrophobicContact CG2-CD2 4.12Å; I648-W652 HydrophobicContact CG2-CH2 4.35Å; I648-W652 HydrophobicContact CG2-CZ2 3.92Å; I648-W652 PolarHBondContact O-N 3.32Å; L649-W652 PolarHBondContact O-N 3.44Å; W652-S654 VanDerWaalsContact C-N 3.31Å; W652-S654 PolarHBondContact O-N 3.42Å; W652-L655 PolarHBondContact O-N 2.88Å; W652-L656 WeakPolarHBondContact O-CB 3.35Å; W652-L656 PolarHBondContact O-N 3.29Å
653	I	67.7	Low	66.2	Low	84 Å²	84	96.8 Å²	96.8	43%	0.431	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-38.9	178.2	-69.7	167.9	0	0	0	110.7	L649 I650 L656 L657	L649-I653 HydrophobicContact CD2-CD1 3.64Å; L649-I653 HydrophobicContact CG-CD1 3.92Å; L649-I653 WeakPolarHBondContact O-CB 3.37Å; L649-I653 VanDerWaalsContact O-CG1 3.26Å; L649-I653 WeakPolarHBondContact O-CG1 3.01Å; L649-I653 PolarHBondContact O-N 2.96Å; I650-I653 PolarHBondContact O-N 3.44Å; I653-L656 PolarHBondContact O-N 3.48Å; I653-L657 HydrophobicContact CG2-CD1 3.96Å; I653-L657 HydrophobicContact CG2-CG 4.43Å; I653-L657 WeakPolarHBondContact O-CB 3.44Å; I653-L657 WeakPolarHBondContact O-CG 3.24Å; I653-L657 PolarHBondContact O-N 3.02Å
654	S	60.4	Low	65.9	Low	57 Å²	57	97.8 Å²	97.8	40%	0.399	52%	0.517	S	S	.	.	H	α-helix	trans	-65.9	-44.1	178.5	-54.1	0	0	0	0	111.7	I650 G651 W652 L657 L658	I650-S654 WeakPolarHBondContact O-CB 3.36Å; I650-S654 PolarHBondContact O-N 3.42Å; I650-S654 PolarHBondContact O-OG 3.41Å; G651-S654 PolarHBondContact O-N 3Å; W652-S654 VanDerWaalsContact C-N 3.31Å; W652-S654 PolarHBondContact O-N 3.42Å; S654-L657 PolarHBondContact O-N 2.82Å; S654-L658 WeakPolarHBondContact O-CG 3.5Å; S654-L658 PolarHBondContact O-N 3.02Å
655	L	65.8	Low	65.5	Low	117 Å²	117	98.9 Å²	98.9	61%	0.613	52%	0.524	S	S	*	.	H	α-helix	trans	-67.9	-37.2	175.5	-69.3	174.6	0	0	0	112.3	G651 W652 L658 S659	G651-L655 WeakPolarHBondContact O-CG 3.05Å; G651-L655 PolarHBondContact O-N 3.32Å; W652-L655 PolarHBondContact O-N 2.88Å; L655-L658 PolarHBondContact O-N 3.35Å; L655-S659 WeakPolarHBondContact O-CB 3.27Å; L655-S659 PolarHBondContact O-N 3.22Å
656	L	63.1	Low	63.9	Low	103 Å²	103	100 Å²	100	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-65.6	-42.1	175.5	-177.8	66.3	0	0	0	111.5	W652 I653 S659 L660	W652-L656 WeakPolarHBondContact O-CB 3.35Å; W652-L656 PolarHBondContact O-N 3.29Å; I653-L656 PolarHBondContact O-N 3.48Å; L656-S659 PolarHBondContact O-N 3.4Å; L656-L660 HydrophobicContact CD1-CD1 4.25Å; L656-L660 HydrophobicContact CD1-CG 4.32Å; L656-L660 HydrophobicContact CG-CD1 3.96Å; L656-L660 HydrophobicContact CG-CG 4.43Å; L656-L660 WeakPolarHBondContact O-CB 3.45Å; L656-L660 VanDerWaalsContact O-CG 3.26Å; L656-L660 WeakPolarHBondContact O-CG 3.44Å; L656-L660 PolarHBondContact O-N 2.98Å
657	L	67.2	Low	62.4	Low	88 Å²	88	110.8 Å²	110.8	46%	0.461	58%	0.579	S	S	.	*	H	α-helix	trans	-63.6	-43.5	174.5	-77.2	168.9	0	0	0	111.3	I653 S654 S659 L660 Y661	I653-L657 HydrophobicContact CG2-CD1 3.96Å; I653-L657 HydrophobicContact CG2-CG 4.43Å; I653-L657 WeakPolarHBondContact O-CB 3.44Å; I653-L657 WeakPolarHBondContact O-CG 3.24Å; I653-L657 PolarHBondContact O-N 3.02Å; S654-L657 PolarHBondContact O-N 2.82Å; L657-S659 VanDerWaalsContact C-N 3.34Å; L657-S659 PolarHBondContact O-N 2.77Å; L657-L660 PolarHBondContact O-N 3.41Å; L657-Y661 HydrophobicContact CD2-CD2 4.27Å; L657-Y661 HydrophobicContact CD2-CE2 3.89Å; L657-Y661 VanDerWaalsContact O-CD2 3.31Å; L657-Y661 WeakPolarHBondContact O-CD2 3.28Å; L657-Y661 PolarHBondContact O-N 3.06Å; L657-Y661 VanDerWaalsContact O-N 3.08Å
658	L	61.4	Low	62.2	Low	103 Å²	103	114.2 Å²	114.2	54%	0.539	59%	0.586	S	S	.	*	H	α-helix	trans	-59.1	-45	174.5	-77.9	168.5	0	0	0	111.9	S654 L655 Y661 E662	S654-L658 WeakPolarHBondContact O-CG 3.5Å; S654-L658 PolarHBondContact O-N 3.02Å; L655-L658 PolarHBondContact O-N 3.35Å; L658-Y661 PolarHBondContact O-N 3.17Å; L658-E662 WeakPolarHBondContact O-CA 3.3Å; L658-E662 WeakPolarHBondContact O-CB 3.2Å; L658-E662 PolarHBondContact O-N 3.06Å
659	S	61.9	Low	61.8	Low	74 Å²	74	116.4 Å²	116.4	52%	0.517	60%	0.597	S	S	.	*	H	α-helix	trans	-68.4	-34.8	179	177.5	0	0	0	0	113.3	L655 L656 L657	L655-S659 WeakPolarHBondContact O-CB 3.27Å; L655-S659 PolarHBondContact O-N 3.22Å; L656-S659 PolarHBondContact O-N 3.4Å; L657-S659 VanDerWaalsContact C-N 3.34Å; L657-S659 PolarHBondContact O-N 2.77Å
660	L	67.3	Low	61.5	Low	119 Å²	119	117.5 Å²	117.5	62%	0.623	60%	0.602	S	S	*	*	H	α-helix	trans	-74.8	-27.3	178.8	-75	172.9	0	0	0	113.3	L656 L657	L656-L660 HydrophobicContact CD1-CD1 4.25Å; L656-L660 HydrophobicContact CD1-CG 4.32Å; L656-L660 HydrophobicContact CG-CD1 3.96Å; L656-L660 HydrophobicContact CG-CG 4.43Å; L656-L660 WeakPolarHBondContact O-CB 3.45Å; L656-L660 VanDerWaalsContact O-CG 3.26Å; L656-L660 WeakPolarHBondContact O-CG 3.44Å; L656-L660 PolarHBondContact O-N 2.98Å; L657-L660 PolarHBondContact O-N 3.41Å
661	Y	70.1	Confident	60.9	Low	128 Å²	128	118.1 Å²	118.1	50%	0.502	61%	0.605	S	S	.	*	S	Bend	trans	-107.1	8.3	-179.5	-71	-78.3	0	0	0	113	L657 L658 D663 E664 I665	L657-Y661 HydrophobicContact CD2-CD2 4.27Å; L657-Y661 HydrophobicContact CD2-CE2 3.89Å; L657-Y661 VanDerWaalsContact O-CD2 3.31Å; L657-Y661 WeakPolarHBondContact O-CD2 3.28Å; L657-Y661 PolarHBondContact O-N 3.06Å; L657-Y661 VanDerWaalsContact O-N 3.08Å; L658-Y661 PolarHBondContact O-N 3.17Å; Y661-D663 PolarHBondContact O-N 3.35Å; Y661-E664 PolarHBondContact O-N 3.39Å; Y661-I665 WeakPolarHBondContact O-CG1 3.39Å; Y661-I665 PolarHBondContact O-N 3.33Å
662	E	59.7	Low	60.6	Low	133 Å²	133	123.5 Å²	123.5	62%	0.621	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-55.3	-39.2	-178.3	-168.6	169.6	176.3	0	0	112	L658 E664 I665	L658-E662 WeakPolarHBondContact O-CA 3.3Å; L658-E662 WeakPolarHBondContact O-CB 3.2Å; L658-E662 PolarHBondContact O-N 3.06Å; E662-E664 VanDerWaalsContact C-N 3.34Å; E662-E664 PolarHBondContact O-N 2.91Å; E662-I665 PolarHBondContact O-N 2.79Å
663	D	57.6	Low	59.8	Low	166 Å²	166	119.5 Å²	119.5	89%	0.888	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-76.2	-15.4	179.7	-63.3	-36.7	0	0	0	114.2	Y661	Y661-D663 PolarHBondContact O-N 3.35Å
664	E	63.1	Low	59.2	Low	153 Å²	153	122.1 Å²	122.1	72%	0.715	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-96.6	-7.1	177.7	-70.7	-165.6	167.5	0	0	113.1	Y661 E662 S666	Y661-E664 PolarHBondContact O-N 3.39Å; E662-E664 VanDerWaalsContact C-N 3.34Å; E662-E664 PolarHBondContact O-N 2.91Å; E664-S666 PolarHBondContact O-N 2.89Å
665	I	54.8	Low	59.2	Low	89 Å²	89	127.1 Å²	127.1	46%	0.456	65%	0.649	S	S	.	*			trans	-84.3	81.1	177.4	-59.9	163.4	0	0	0	108.5	Y661 E662 F667	Y661-I665 WeakPolarHBondContact O-CG1 3.39Å; Y661-I665 PolarHBondContact O-N 3.33Å; E662-I665 PolarHBondContact O-N 2.79Å; I665-F667 HydrophobicContact CG2-CD2 4.11Å; I665-F667 HydrophobicContact CG2-CE2 3.94Å; I665-F667 PolarHBondContact O-N 2.95Å
666	S	38.1	Very low	58.6	Low	115 Å²	115	127.9 Å²	127.9	80%	0.804	65%	0.652	S	S	*	*			trans	-75.1	118.2	168.8	64.6	0	0	0	0	110	E664	E664-S666 PolarHBondContact O-N 2.89Å
667	F	39.1	Very low	58.2	Low	264 Å²	264	130.2 Å²	130.2	100%	1.158	66%	0.662	S	S	*	*			trans	-85.3	0	166.5	-93.4	-83	0	0	0	112.1	I665	I665-F667 HydrophobicContact CG2-CD2 4.11Å; I665-F667 HydrophobicContact CG2-CE2 3.94Å; I665-F667 PolarHBondContact O-N 2.95Å

Retrieved 667 of 667 residues in 788.5 ms (Link to these results)

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