A0A087YF39_POEFO Loading...

THO complex 5

AlphaFold DB , UniProt , Accession A0A087YF39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 685 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	28.8	Very low	246 Å²	246	163.2 Å²	163.2	100%	1.212	86%	0.858	S	S	*	*				0	129.2	0	-95.8	179.9	170.6	0	0	108.2
2	A	28.6	Very low	28.9	Very low	95 Å²	95	166.7 Å²	166.7	79%	0.785	86%	0.861	S	S	*	*			trans	60.2	113	164.7	0	0	0	0	0	117.8
3	M	24.9	Very low	29	Very low	181 Å²	181	162.5 Å²	162.5	89%	0.892	86%	0.855	S	S	*	*				86.9	137.4	57.4	-76.7	-87.7	-105.9	0	0	114.5
4	S	25.4	Very low	29	Very low	100 Å²	100	166.1 Å²	166.1	70%	0.699	86%	0.86	S	S	*	*			trans	79.5	113.3	158.4	-92.6	0	0	0	0	118.7
5	T	27.1	Very low	29.1	Very low	122 Å²	122	163.5 Å²	163.5	75%	0.748	86%	0.855	S	S	*	*				91	126.3	57.7	58.2	0	0	0	0	114.6
6	D	28	Very low	29	Very low	141 Å²	141	164.3 Å²	164.3	75%	0.754	86%	0.859	S	S	*	*			trans	73.4	124.3	149	-85	-31.8	0	0	0	122.3
7	A	28.6	Very low	29	Very low	104 Å²	104	167.8 Å²	167.8	86%	0.86	86%	0.858	S	S	*	*				-163.3	108.1	115.1	0	0	0	0	0	112.6
8	L	31	Very low	28.9	Very low	146 Å²	146	162.4 Å²	162.4	76%	0.764	85%	0.85	S	S	*	*			trans	-65.4	148.9	163	-79.1	124.2	0	0	0	113
9	K	30	Very low	28.9	Very low	213 Å²	213	163.4 Å²	163.4	93%	0.926	85%	0.85	S	S	*	*			trans	-142.8	94.9	146	-104.6	177.6	-173.6	173.8	0	113.1
10	K	31.2	Very low	28.8	Very low	194 Å²	194	159.6 Å²	159.6	84%	0.843	85%	0.852	S	S	*	*			trans	18.5	128.4	140.8	-67.3	176.3	176.4	174.5	0	119.4
11	R	30.4	Very low	28.8	Very low	253 Å²	253	155.6 Å²	155.6	96%	0.955	85%	0.849	S	S	*	*			trans	-148.3	151.6	132.3	-110.1	174.3	-178.7	-177.2	0.1	111.4
12	K	29.6	Very low	28.7	Very low	205 Å²	205	150.3 Å²	150.3	89%	0.891	83%	0.831	S	S	*	*			trans	-83.3	155.1	-145.9	-71.4	171.7	170.1	176.2	0	115
13	S	29.6	Very low	29	Very low	113 Å²	113	151.4 Å²	151.4	79%	0.79	83%	0.83	S	S	*	*			trans	-64.2	150.1	169.1	50.5	0	0	0	0	113.6
14	K	29	Very low	29.2	Very low	212 Å²	212	151.1 Å²	151.1	92%	0.922	83%	0.827	S	S	*	*			trans	-139.4	130.8	153.7	-148.3	172.9	-176.4	-178.5	0	110.1
15	V	30.5	Very low	29.4	Very low	128 Å²	128	152.2 Å²	152.2	78%	0.776	83%	0.829	S	S	*	*			trans	-74.5	136.8	-165.1	164.4	0	0	0	0	111.6
16	L	28.4	Very low	29.6	Very low	176 Å²	176	155.6 Å²	155.6	92%	0.921	83%	0.833	S	S	*	*			trans	-67.9	130.3	163.1	-76.9	135.1	0	0	0	109.7
17	R	28.6	Very low	29.7	Very low	224 Å²	224	160.4 Å²	160.4	85%	0.845	84%	0.841	S	S	*	*			trans	-119	109.5	165.5	-162.6	178.1	-176.1	-178.9	-0.1	106.9
18	G	27.9	Very low	29.5	Very low	70 Å²	70	159.1 Å²	159.1	72%	0.722	84%	0.838	S	S	*	*			trans	-83	145.3	168.2	0	0	0	0	0	110.1
19	E	28.1	Very low	29.4	Very low	182 Å²	182	164.1 Å²	164.1	85%	0.85	85%	0.847	S	S	*	*			trans	-140.1	134.3	150.9	-78.2	-157.4	167.2	0	0	108
20	G	27.5	Very low	29.2	Very low	86 Å²	86	157.5 Å²	157.5	89%	0.887	84%	0.839	S	S	*	*			trans	-86.8	177.2	-174.7	0	0	0	0	0	113.9
21	G	28.1	Very low	29	Very low	77 Å²	77	157.5 Å²	157.5	79%	0.794	84%	0.842	S	S	*	*			trans	178.4	94.2	171.3	0	0	0	0	0	110.6
22	T	30.6	Very low	29	Very low	135 Å²	135	152.2 Å²	152.2	83%	0.828	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-56.2	140.4	169.2	39.7	0	0	0	0	112.5
23	P	34.6	Very low	29.3	Very low	118 Å²	118	149.4 Å²	149.4	77%	0.766	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-86.6	117.4	169.6	31.3	-28	0	0	0	111.3	T25	P23-T25 PolarHBondContact O-N 3.37Å
24	E	28.3	Very low	29.4	Very low	175 Å²	175	152.2 Å²	152.2	82%	0.818	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-62.9	118.2	164.5	-77.1	-169.5	138.4	0	0	110.1
25	T	30.5	Very low	29.7	Very low	122 Å²	122	150.2 Å²	150.2	75%	0.748	83%	0.832	S	S	*	*			trans	-102.1	93.2	171.1	-40.3	0	0	0	0	108.8	P23 R27	P23-T25 PolarHBondContact O-N 3.37Å; T25-R27 PolarHBondContact O-N 3.14Å
26	K	30.7	Very low	29.8	Very low	193 Å²	193	150.1 Å²	150.1	84%	0.839	83%	0.827	S	S	*	*			trans	-81.8	101.1	166.2	-90.1	-179.4	178.2	170.6	0	109.3
27	R	29.7	Very low	30.4	Very low	242 Å²	242	154 Å²	154	91%	0.913	83%	0.829	S	S	*	*			trans	-83.3	106.6	158.5	-81.6	-176.8	175.1	179.1	-1.3	108.5	T25	T25-R27 PolarHBondContact O-N 3.14Å
28	G	26.3	Very low	30.9	Very low	77 Å²	77	149.2 Å²	149.2	79%	0.794	82%	0.824	S	S	*	*			trans	-99.4	125.8	164.9	0	0	0	0	0	109.9
29	R	27.7	Very low	32.1	Very low	251 Å²	251	155 Å²	155	95%	0.947	83%	0.826	S	S	*	*			trans	-65.5	139.3	176.1	-85.5	173	164	178.1	-5.4	112
30	G	26.6	Very low	33.6	Very low	74 Å²	74	151.1 Å²	151.1	76%	0.763	81%	0.811	S	S	*	*				67.9	120.6	118.3	0	0	0	0	0	118.6
31	E	26.3	Very low	35.3	Very low	195 Å²	195	149.9 Å²	149.9	91%	0.911	78%	0.782	S	S	*	*			trans	-122	117.9	147.9	-82.8	-172.3	153.4	0	0	108.6
32	V	31.3	Very low	36.9	Very low	141 Å²	141	151.2 Å²	151.2	86%	0.855	77%	0.767	S	S	*	*			trans	-103.7	121.7	152.7	174.2	0	0	0	0	104.8
33	D	34.7	Very low	38.7	Very low	147 Å²	147	146.8 Å²	146.8	79%	0.786	75%	0.749	S	S	*	*			trans	22.2	111.5	163.6	-74.4	-23	0	0	0	119.3
34	Q	32.2	Very low	40.3	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	72%	0.724	S	S	*	*			trans	-139.5	101.7	139.7	-118.1	168.7	39.6	0	0	109.8	L36	Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 2.98Å
35	D	35.4	Very low	42.4	Very low	170 Å²	170	136 Å²	136	91%	0.909	69%	0.688	S	S	*	*			trans	-54.6	90.8	163.3	-98.5	-33.8	0	0	0	109.9
36	L	33	Very low	44.2	Very low	127 Å²	127	135.3 Å²	135.3	67%	0.665	68%	0.681	S	S	*	*			trans	-125.3	106.7	163.7	-88.4	156.6	0	0	0	105.9	Q34 V38	Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 2.98Å; L36-V38 PolarHBondContact O-N 3.24Å
37	R	39.8	Very low	46.3	Very low	257 Å²	257	129.8 Å²	129.8	97%	0.97	68%	0.678	S	S	*	*			trans	-57.6	83.6	172	-75.9	177.7	175.7	176	-2.1	110	Y39	R37-Y39 PolarHBondContact O-N 3.37Å
38	V	40.4	Very low	48.6	Very low	123 Å²	123	122 Å²	122	75%	0.745	65%	0.649	S	S	*	*			trans	-75.4	118	167.7	179.1	0	0	0	0	106.9	L36 N40	L36-V38 PolarHBondContact O-N 3.24Å; V38-N40 PolarHBondContact O-N 3.49Å
39	Y	52.2	Low	51.3	Low	193 Å²	193	121.3 Å²	121.3	76%	0.757	63%	0.627	S	S	*	*			trans	-54.8	108	170.5	-119.6	-98.2	0	0	0	108.6	R37 E41	R37-Y39 PolarHBondContact O-N 3.37Å; Y39-E41 PolarHBondContact O-N 2.83Å
40	N	59.5	Low	53.9	Low	100 Å²	100	112.7 Å²	112.7	54%	0.535	60%	0.603	S	S	.	*			trans	-86.1	93.1	-175.4	-159.8	3.3	0	0	0	109.6	V38 E42 G43 E44	V38-N40 PolarHBondContact O-N 3.49Å; N40-E42 PolarHBondContact O-N 2.87Å; N40-E42 VanDerWaalsContact O-N 3.1Å; N40-G43 PolarHBondContact O-N 2.93Å; N40-E44 PolarHBondContact O-N 2.97Å
41	E	63	Low	56.7	Low	59 Å²	59	116.1 Å²	116.1	28%	0.276	60%	0.6	S	S	.	*	H	α-helix	trans	-56.1	-23.8	176.5	-68.3	-176.5	167.8	0	0	111.9	Y39 R105 L106	Y39-E41 PolarHBondContact O-N 2.83Å; E41-R105 IonicContact OE1-NH1 3.64Å; E41-L106 HydrophobicContact CB-CD2 4.31Å; E41-L106 WeakPolarHBondContact O-CD2 3.36Å
42	E	62.5	Low	59.5	Low	105 Å²	105	112 Å²	112	49%	0.491	58%	0.58	S	S	.	*	H	α-helix	trans	-66.5	-37.7	173.2	-70.7	-172.1	160	0	0	113.3	N40 L45 M109	N40-E42 PolarHBondContact O-N 2.87Å; N40-E42 VanDerWaalsContact O-N 3.1Å; E42-L45 WeakPolarHBondContact O-CB 3.32Å; E42-L45 PolarHBondContact O-N 2.63Å; E42-M109 HydrophobicContact CG-CE 3.39Å; E42-M109 WeakPolarHBondContact OE1-CE 3.37Å
43	G	67.8	Low	62.2	Low	43 Å²	43	105.7 Å²	105.7	44%	0.443	54%	0.542	S	S	.	.	H	α-helix	trans	-74.5	-27.2	178.8	0	0	0	0	0	113	N40 L45 D46	N40-G43 PolarHBondContact O-N 2.93Å; G43-L45 PolarHBondContact O-N 3.36Å; G43-D46 PolarHBondContact O-N 3.27Å
44	E	68.1	Low	64.7	Low	51 Å²	51	106.3 Å²	106.3	24%	0.238	53%	0.534	C	S	.	.	H	α-helix	trans	-65	-27	171.1	-75.3	-170.8	173.1	0	0	112.1	N40 D46 R48 K102	N40-E44 PolarHBondContact O-N 2.97Å; E44-D46 VanDerWaalsContact C-N 3.31Å; E44-D46 PolarHBondContact O-N 3.44Å; E44-R48 WeakPolarHBondContact O-CD 3.49Å; E44-R48 WeakPolarHBondContact O-CG 3.17Å; E44-K102 IonicContact OE1-NZ 3.53Å; E44-K102 PolarHBondContact OE1-NZ 3.4Å; E44-K102 WeakPolarHBondContact OE2-CE 3.31Å; E44-K102 IonicContact OE2-NZ 3.66Å; E44-K102 PolarHBondContact OE2-NZ 3.43Å
45	L	72.4	Confident	67.5	Low	14 Å²	14	103.2 Å²	103.2	7%	0.073	52%	0.523	C	S	.	.	H	α-helix	trans	-66.2	-32.3	-179.8	-70.4	167.7	0	0	0	113.3	E42 G43 G47 R48 L106 M109 R110	E42-L45 WeakPolarHBondContact O-CB 3.32Å; E42-L45 PolarHBondContact O-N 2.63Å; G43-L45 PolarHBondContact O-N 3.36Å; L45-G47 VanDerWaalsContact C-N 3.28Å; L45-G47 PolarHBondContact O-N 2.88Å; L45-R48 PolarHBondContact O-N 3.37Å; L45-L106 HydrophobicContact CD2-CB 3.66Å; L45-L106 HydrophobicContact CD2-CD2 3.56Å; L45-L106 HydrophobicContact CD2-CG 4.15Å; L45-L106 WeakPolarHBondContact CD2-O 3.39Å; L45-L106 HydrophobicContact CG-CD2 3.77Å; L45-M109 HydrophobicContact CD1-CB 3.51Å; L45-R110 HydrophobicContact CD2-CB 4.35Å
46	D	69.6	Low	69.9	Low	109 Å²	109	98.9 Å²	98.9	58%	0.583	50%	0.497	S	S	*	.	H	α-helix	trans	-68.3	-28.1	-176.5	-79.7	-44.7	0	0	0	113	G43 E44 R113	G43-D46 PolarHBondContact O-N 3.27Å; E44-D46 VanDerWaalsContact C-N 3.31Å; E44-D46 PolarHBondContact O-N 3.44Å; D46-R113 VanDerWaalsContact CG-NH1 3.31Å; D46-R113 IonicContact OD1-CZ 2.6Å; D46-R113 IonicContact OD1-NH1 3.78Å; D46-R113 PolarHBondContact OD1-NH1 3.26Å; D46-R113 IonicContact OD1-NH2 3.26Å; D46-R113 PolarHBondContact OD1-NH2 2.73Å; D46-R113 IonicContact OD2-NH1 3.77Å; D46-R113 PolarHBondContact OD2-NH1 3.2Å; D46-R113 IonicContact OD2-NH2 2.84Å
47	G	73.3	Confident	72.7	Confident	77 Å²	77	97.1 Å²	97.1	79%	0.794	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-2.6	-179.3	0	0	0	0	0	114.8	L45	L45-G47 VanDerWaalsContact C-N 3.28Å; L45-G47 PolarHBondContact O-N 2.88Å
48	R	78.2	Confident	75.1	Confident	78 Å²	78	90 Å²	90	29%	0.294	46%	0.458	S	S	.	.	S	Bend	trans	-108.9	127.4	-173.5	-70.4	179.6	78.1	101.7	8.3	111.9	E44 L45 D53 R110	E44-R48 WeakPolarHBondContact O-CD 3.49Å; E44-R48 WeakPolarHBondContact O-CG 3.17Å; L45-R48 PolarHBondContact O-N 3.37Å; R48-D53 IonicContact CZ-OD1 2.69Å; R48-D53 VanDerWaalsContact CZ-OD1 3.22Å; R48-D53 IonicContact NE-OD1 3.79Å; R48-D53 PolarHBondContact NE-OD1 3.5Å; R48-D53 IonicContact NE-OD2 3.7Å; R48-D53 IonicContact NH2-OD1 2.72Å; R48-D53 PolarHBondContact NH2-OD1 2.88Å; R48-R110 PolarHBondContact O-NH2 2.97Å
49	D	82.9	Confident	77.5	Confident	63 Å²	63	90 Å²	90	34%	0.337	45%	0.45	S	S	.	.			trans	-72.4	123.4	176.6	-175.5	-0.9	0	0	0	110.6	E51 Q52 D53	D49-E51 PolarHBondContact O-N 3.47Å; D49-E51 PolarHBondContact OD1-N 2.95Å; D49-Q52 HydrophobicContact CB-CB 4.09Å; D49-Q52 HydrophobicContact CB-CG 3.88Å; D49-Q52 PolarHBondContact O-N 2.88Å; D49-Q52 PolarHBondContact OD2-NE2 3.36Å; D49-D53 PolarHBondContact O-N 3.18Å
50	P	83.3	Confident	79.2	Confident	69 Å²	69	81.5 Å²	81.5	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-53.9	-34.8	177.1	-24.7	32.5	0	0	0	114	Y54	P50-Y54 PolarHBondContact O-N 2.91Å; P50-Y54 VanDerWaalsContact O-N 3.15Å
51	E	85.1	Confident	80.7	Confident	147 Å²	147	78.9 Å²	78.9	69%	0.687	41%	0.408	S	S	*	.	H	α-helix	trans	-71.6	-39.1	-179.7	-66.2	-170.9	175.1	0	0	111.5	D49 Y54 L55	D49-E51 PolarHBondContact O-N 3.47Å; D49-E51 PolarHBondContact OD1-N 2.95Å; E51-Y54 WeakPolarHBondContact O-CB 3.45Å; E51-Y54 PolarHBondContact O-N 3.37Å; E51-L55 WeakPolarHBondContact O-CG 3.33Å; E51-L55 PolarHBondContact O-N 3.43Å
52	Q	85	Confident	82.1	Confident	108 Å²	108	81.4 Å²	81.4	51%	0.505	42%	0.42	S	S	.	.	H	α-helix	trans	-69.1	-38.5	176.5	-65	177.7	18.1	0	0	112.1	D49 Y54 L55 Q56	D49-Q52 HydrophobicContact CB-CB 4.09Å; D49-Q52 HydrophobicContact CB-CG 3.88Å; D49-Q52 PolarHBondContact O-N 2.88Å; D49-Q52 PolarHBondContact OD2-NE2 3.36Å; Q52-Y54 VanDerWaalsContact C-N 3.28Å; Q52-Y54 PolarHBondContact O-N 3.01Å; Q52-L55 PolarHBondContact O-N 3.17Å; Q52-Q56 WeakPolarHBondContact O-CG 3.5Å; Q52-Q56 PolarHBondContact O-N 3.41Å
53	D	87.6	Confident	83.3	Confident	9 Å²	9	78.4 Å²	78.4	5%	0.048	41%	0.41	C	S	.	.	H	α-helix	trans	-61.5	-38.4	173.3	-81.3	-17.4	0	0	0	111.6	R48 D49 Q56 Y57 L103 R110	R48-D53 IonicContact CZ-OD1 2.69Å; R48-D53 VanDerWaalsContact CZ-OD1 3.22Å; R48-D53 IonicContact NE-OD1 3.79Å; R48-D53 PolarHBondContact NE-OD1 3.5Å; R48-D53 IonicContact NE-OD2 3.7Å; R48-D53 IonicContact NH2-OD1 2.72Å; R48-D53 PolarHBondContact NH2-OD1 2.88Å; D49-D53 PolarHBondContact O-N 3.18Å; D53-Q56 PolarHBondContact O-N 3.11Å; D53-Y57 WeakPolarHBondContact O-CB 3.48Å; D53-Y57 PolarHBondContact O-N 3.23Å; D53-L103 HydrophobicContact CB-CD2 3.84Å; D53-R110 IonicContact OD2-CZ 2.75Å; D53-R110 IonicContact OD2-NH1 3.82Å; D53-R110 IonicContact OD2-NH2 2.79Å; D53-R110 PolarHBondContact OD2-NH2 2.85Å
54	Y	88.4	Confident	84.3	Confident	159 Å²	159	77.1 Å²	77.1	62%	0.624	39%	0.393	S	S	*	.	H	α-helix	trans	-66.6	-41.6	175.2	178.9	-101.6	0	0	0	112.1	P50 E51 Q52 Y57 K58	P50-Y54 PolarHBondContact O-N 2.91Å; P50-Y54 VanDerWaalsContact O-N 3.15Å; E51-Y54 WeakPolarHBondContact O-CB 3.45Å; E51-Y54 PolarHBondContact O-N 3.37Å; Q52-Y54 VanDerWaalsContact C-N 3.28Å; Q52-Y54 PolarHBondContact O-N 3.01Å; Y54-Y57 WeakPolarHBondContact O-CB 3.43Å; Y54-Y57 PolarHBondContact O-N 2.9Å; Y54-K58 PolarHBondContact O-N 3.02Å
55	L	89.8	Confident	85.3	Confident	106 Å²	106	77.1 Å²	77.1	56%	0.555	40%	0.402	S	S	*	.	H	α-helix	trans	-62.4	-44.2	174.6	-70	171.9	0	0	0	111.6	E51 Q52 Y57 K58 E59	E51-L55 WeakPolarHBondContact O-CG 3.33Å; E51-L55 PolarHBondContact O-N 3.43Å; Q52-L55 PolarHBondContact O-N 3.17Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.35Å; L55-K58 WeakPolarHBondContact O-CB 3.32Å; L55-K58 PolarHBondContact O-N 3.44Å; L55-K58 VanDerWaalsContact O-N 3.16Å; L55-E59 PolarHBondContact O-N 3.16Å
56	Q	86.8	Confident	86.2	Confident	79 Å²	79	78.8 Å²	78.8	37%	0.369	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-35.1	175.6	-72.4	177.4	16.8	0	0	112.7	Q52 D53 S60 L103	Q52-Q56 WeakPolarHBondContact O-CG 3.5Å; Q52-Q56 PolarHBondContact O-N 3.41Å; D53-Q56 PolarHBondContact O-N 3.11Å; Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.37Å; Q56-S60 PolarHBondContact O-N 3.02Å; Q56-S60 PolarHBondContact O-OG 3.49Å; Q56-L103 HydrophobicContact CB-CD1 4.34Å
57	Y	90.8	Very high	87	Confident	91 Å²	91	74.1 Å²	74.1	36%	0.357	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-44.8	172.6	-177.8	-88	0	0	0	111	D53 Y54 L55 S60 C61 L100 L103	D53-Y57 WeakPolarHBondContact O-CB 3.48Å; D53-Y57 PolarHBondContact O-N 3.23Å; Y54-Y57 WeakPolarHBondContact O-CB 3.43Å; Y54-Y57 PolarHBondContact O-N 2.9Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.35Å; Y57-S60 PolarHBondContact O-N 3.38Å; Y57-C61 VanDerWaalsContact CE1-SG 3.52Å; Y57-C61 PolarHBondContact O-N 3.45Å; Y57-C61 PolarHBondContact O-SG 3.32Å; Y57-L100 HydrophobicContact CD1-CD2 4.37Å; Y57-L100 HydrophobicContact CD2-CD2 3.34Å; Y57-L100 HydrophobicContact CE1-CD2 4.41Å; Y57-L100 HydrophobicContact CE2-CB 4.25Å; Y57-L100 HydrophobicContact CE2-CD2 3.41Å; Y57-L100 VanDerWaalsContact CE2-CD2 3.41Å; Y57-L100 HydrophobicContact CE2-CG 4.37Å; Y57-L100 HydrophobicContact CG-CD2 3.85Å; Y57-L100 WeakPolarHBondContact O-CD2 3.48Å; Y57-L103 HydrophobicContact CD2-CB 4.14Å; Y57-L103 HydrophobicContact CD2-CD1 4.31Å
58	K	91.3	Very high	87.6	Confident	108 Å²	108	75 Å²	75	47%	0.47	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-48.3	178.2	-172.5	-177.5	175.3	-169.1	0	111.5	Y54 L55 S60 C61 E62	Y54-K58 PolarHBondContact O-N 3.02Å; L55-K58 WeakPolarHBondContact O-CB 3.32Å; L55-K58 PolarHBondContact O-N 3.44Å; L55-K58 VanDerWaalsContact O-N 3.16Å; K58-S60 VanDerWaalsContact C-N 3.33Å; K58-S60 PolarHBondContact O-N 2.92Å; K58-C61 WeakPolarHBondContact O-CB 3.35Å; K58-C61 PolarHBondContact O-N 3.27Å; K58-C61 VanDerWaalsContact O-N 3.14Å; K58-E62 WeakPolarHBondContact CE-OE1 3.21Å; K58-E62 WeakPolarHBondContact O-CG 3.38Å; K58-E62 PolarHBondContact O-N 2.91Å
59	E	90.4	Very high	88	Confident	122 Å²	122	74.3 Å²	74.3	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-61.5	-40	177.7	-174	-179.2	-170.2	0	0	112	L55 C61 E62 S63	L55-E59 PolarHBondContact O-N 3.16Å; E59-C61 VanDerWaalsContact C-N 3.35Å; E59-E62 PolarHBondContact O-N 3.43Å; E59-S63 WeakPolarHBondContact O-CB 3.23Å; E59-S63 PolarHBondContact O-N 2.85Å; E59-S63 PolarHBondContact O-OG 2.96Å
60	S	88.5	Confident	88.1	Confident	14 Å²	14	74.6 Å²	74.6	10%	0.098	38%	0.384	C	S	.	.	H	α-helix	trans	-66.4	-35.4	175.2	-64	0	0	0	0	112.4	Q56 Y57 K58 L64	Q56-S60 VanDerWaalsContact O-CB 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.37Å; Q56-S60 PolarHBondContact O-N 3.02Å; Q56-S60 PolarHBondContact O-OG 3.49Å; Y57-S60 PolarHBondContact O-N 3.38Å; K58-S60 VanDerWaalsContact C-N 3.33Å; K58-S60 PolarHBondContact O-N 2.92Å; S60-L64 WeakPolarHBondContact O-CB 3.49Å; S60-L64 PolarHBondContact O-N 2.98Å
61	C	89.9	Confident	88.1	Confident	46 Å²	46	72.5 Å²	72.5	31%	0.311	37%	0.369	S	S	.	.	H	α-helix	trans	-66.8	-45.2	172.9	-70.7	0	0	0	0	111.8	Y57 K58 E59 L64 A65 L100	Y57-C61 VanDerWaalsContact CE1-SG 3.52Å; Y57-C61 PolarHBondContact O-N 3.45Å; Y57-C61 PolarHBondContact O-SG 3.32Å; K58-C61 WeakPolarHBondContact O-CB 3.35Å; K58-C61 PolarHBondContact O-N 3.27Å; K58-C61 VanDerWaalsContact O-N 3.14Å; E59-C61 VanDerWaalsContact C-N 3.35Å; C61-L64 PolarHBondContact O-N 2.93Å; C61-A65 WeakPolarHBondContact O-CB 3.14Å; C61-A65 PolarHBondContact O-N 3.42Å; C61-L100 VanDerWaalsContact SG-CD2 3.59Å
62	E	91.6	Very high	88.1	Confident	112 Å²	112	72.1 Å²	72.1	52%	0.523	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-43.6	177.7	-72.5	173.4	-177.7	0	0	111.2	K58 E59 A65 A66	K58-E62 WeakPolarHBondContact CE-OE1 3.21Å; K58-E62 WeakPolarHBondContact O-CG 3.38Å; K58-E62 PolarHBondContact O-N 2.91Å; E59-E62 PolarHBondContact O-N 3.43Å; E62-A65 WeakPolarHBondContact O-CB 3.3Å; E62-A65 PolarHBondContact O-N 3.3Å; E62-A66 PolarHBondContact O-N 3.46Å
63	S	88.1	Confident	88	Confident	41 Å²	41	73.1 Å²	73.1	29%	0.287	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-41.8	175.8	-59	0	0	0	0	112.2	E59 A65 A66 V67 H96	E59-S63 WeakPolarHBondContact O-CB 3.23Å; E59-S63 PolarHBondContact O-N 2.85Å; E59-S63 PolarHBondContact O-OG 2.96Å; S63-A65 VanDerWaalsContact C-N 3.35Å; S63-A66 PolarHBondContact O-N 3.37Å; S63-V67 VanDerWaalsContact O-CG2 3.32Å; S63-V67 WeakPolarHBondContact O-CG2 3.45Å; S63-V67 PolarHBondContact O-N 3.13Å; S63-H96 VanDerWaalsContact CB-CE1 3.45Å; S63-H96 WeakPolarHBondContact CB-CE1 3.44Å
64	L	89.4	Confident	87.7	Confident	16 Å²	16	74.6 Å²	74.6	8%	0.084	38%	0.379	C	S	.	.	H	α-helix	trans	-64.6	-39.3	175.1	-178.5	64.6	0	0	0	111.8	S60 C61 V67 M68 H96 F97 L100	S60-L64 WeakPolarHBondContact O-CB 3.49Å; S60-L64 PolarHBondContact O-N 2.98Å; C61-L64 PolarHBondContact O-N 2.93Å; L64-V67 PolarHBondContact O-N 3.18Å; L64-M68 HydrophobicContact CD1-CE 4.11Å; L64-M68 HydrophobicContact CD2-CE 4.24Å; L64-M68 HydrophobicContact CG-CE 4.02Å; L64-M68 WeakPolarHBondContact O-CG 3.38Å; L64-M68 PolarHBondContact O-N 3.14Å; L64-H96 HydrophobicContact CB-CB 4.1Å; L64-H96 HydrophobicContact CD1-CB 4.27Å; L64-F97 HydrophobicContact CD1-CD2 3.85Å; L64-F97 HydrophobicContact CD1-CE2 3.84Å; L64-F97 HydrophobicContact CD2-CD1 4.32Å; L64-F97 HydrophobicContact CD2-CD2 3.84Å; L64-F97 HydrophobicContact CD2-CE1 4.06Å; L64-F97 HydrophobicContact CD2-CE2 3.55Å; L64-F97 HydrophobicContact CD2-CG 4.22Å; L64-F97 HydrophobicContact CD2-CZ 3.67Å; L64-F97 HydrophobicContact CG-CE2 4.25Å; L64-L100 HydrophobicContact CD2-CD1 4.07Å
65	A	89.5	Confident	87.2	Confident	51 Å²	51	71.1 Å²	71.1	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-43.8	175.1	0	0	0	0	0	111.4	C61 E62 S63 M68 S69	C61-A65 WeakPolarHBondContact O-CB 3.14Å; C61-A65 PolarHBondContact O-N 3.42Å; E62-A65 WeakPolarHBondContact O-CB 3.3Å; E62-A65 PolarHBondContact O-N 3.3Å; S63-A65 VanDerWaalsContact C-N 3.35Å; A65-M68 PolarHBondContact O-N 3.19Å; A65-S69 PolarHBondContact O-N 2.99Å; A65-S69 PolarHBondContact O-OG 2.91Å
66	A	89.8	Confident	86.8	Confident	49 Å²	49	70 Å²	70	41%	0.405	37%	0.374	S	S	.	.	H	α-helix	trans	-59.7	-47.4	175	0	0	0	0	0	111.7	E62 S63 M68 S69 E70	E62-A66 PolarHBondContact O-N 3.46Å; S63-A66 PolarHBondContact O-N 3.37Å; A66-M68 VanDerWaalsContact C-N 3.3Å; A66-M68 PolarHBondContact O-N 2.98Å; A66-S69 PolarHBondContact O-N 3.17Å; A66-E70 VanDerWaalsContact O-CG 3.32Å; A66-E70 WeakPolarHBondContact O-CG 3.47Å; A66-E70 PolarHBondContact O-N 3.38Å
67	V	87.8	Confident	86.4	Confident	11 Å²	11	73.1 Å²	73.1	7%	0.067	39%	0.393	C	S	.	.	H	α-helix	trans	-59.9	-39.5	175.6	170	0	0	0	0	111.5	S63 L64 I71 R89	S63-V67 VanDerWaalsContact O-CG2 3.32Å; S63-V67 WeakPolarHBondContact O-CG2 3.45Å; S63-V67 PolarHBondContact O-N 3.13Å; L64-V67 PolarHBondContact O-N 3.18Å; V67-I71 HydrophobicContact CG1-CD1 3.93Å; V67-I71 WeakPolarHBondContact O-CB 3.4Å; V67-I71 WeakPolarHBondContact O-CD1 3.4Å; V67-I71 WeakPolarHBondContact O-CG1 3.5Å; V67-I71 PolarHBondContact O-N 3.29Å; V67-R89 HydrophobicContact CG1-CB 4.17Å; V67-R89 WeakPolarHBondContact CG1-O 3.37Å
68	M	85.5	Confident	85.3	Confident	97 Å²	97	71.8 Å²	71.8	48%	0.478	41%	0.407	S	S	.	.	H	α-helix	trans	-66.4	-41.7	175.4	-74.7	-174.5	-178.5	0	0	112.5	L64 A65 A66 I71 Q72 F97	L64-M68 HydrophobicContact CD1-CE 4.11Å; L64-M68 HydrophobicContact CD2-CE 4.24Å; L64-M68 HydrophobicContact CG-CE 4.02Å; L64-M68 WeakPolarHBondContact O-CG 3.38Å; L64-M68 PolarHBondContact O-N 3.14Å; A65-M68 PolarHBondContact O-N 3.19Å; A66-M68 VanDerWaalsContact C-N 3.3Å; A66-M68 PolarHBondContact O-N 2.98Å; M68-I71 PolarHBondContact O-N 3Å; M68-Q72 WeakPolarHBondContact O-CB 3.41Å; M68-Q72 PolarHBondContact O-N 3.43Å; M68-F97 HydrophobicContact CE-CE2 3.84Å; M68-F97 HydrophobicContact CE-CZ 4.1Å
69	S	87.3	Confident	83.9	Confident	62 Å²	62	68.3 Å²	68.3	43%	0.434	40%	0.398	S	S	.	.	H	α-helix	trans	-62.1	-44.5	174.6	-68.3	0	0	0	0	111.6	A65 A66 I71 Q72 E73	A65-S69 PolarHBondContact O-N 2.99Å; A65-S69 PolarHBondContact O-OG 2.91Å; A66-S69 PolarHBondContact O-N 3.17Å; S69-I71 PolarHBondContact O-N 3.46Å; S69-Q72 WeakPolarHBondContact O-CB 3.12Å; S69-Q72 PolarHBondContact O-N 2.88Å; S69-Q72 VanDerWaalsContact O-N 3.11Å; S69-E73 PolarHBondContact O-N 3.11Å
70	E	84.6	Confident	82.7	Confident	69 Å²	69	71.2 Å²	71.2	32%	0.322	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-40.9	176.1	-70.9	174.2	161.9	0	0	112.1	A66 Q72 E73 L74 R89	A66-E70 VanDerWaalsContact O-CG 3.32Å; A66-E70 WeakPolarHBondContact O-CG 3.47Å; A66-E70 PolarHBondContact O-N 3.38Å; E70-Q72 VanDerWaalsContact C-N 3.28Å; E70-Q72 PolarHBondContact O-N 2.93Å; E70-E73 PolarHBondContact O-N 2.91Å; E70-L74 WeakPolarHBondContact O-CB 3.28Å; E70-L74 VanDerWaalsContact O-CG 3.23Å; E70-L74 WeakPolarHBondContact O-CG 3.39Å; E70-L74 PolarHBondContact O-N 3.49Å; E70-R89 IonicContact OE1-NH1 3.01Å; E70-R89 WeakPolarHBondContact OE2-CD 3.4Å; E70-R89 IonicContact OE2-CZ 3.76Å; E70-R89 IonicContact OE2-NE 3.14Å; E70-R89 PolarHBondContact OE2-NE 3.32Å; E70-R89 IonicContact OE2-NH1 3.58Å; E70-R89 PolarHBondContact OE2-NH1 3.22Å
71	I	83.3	Confident	81.3	Confident	25 Å²	25	77.1 Å²	77.1	13%	0.128	44%	0.435	C	S	.	.	H	α-helix	trans	-62.1	-38.7	173.4	-70.4	165.8	0	0	0	110.5	V67 M68 S69 K75 V86 R89 R90	V67-I71 HydrophobicContact CG1-CD1 3.93Å; V67-I71 WeakPolarHBondContact O-CB 3.4Å; V67-I71 WeakPolarHBondContact O-CD1 3.4Å; V67-I71 WeakPolarHBondContact O-CG1 3.5Å; V67-I71 PolarHBondContact O-N 3.29Å; M68-I71 PolarHBondContact O-N 3Å; S69-I71 PolarHBondContact O-N 3.46Å; I71-K75 HydrophobicContact CG2-CD 4.29Å; I71-K75 WeakPolarHBondContact O-CB 3.22Å; I71-K75 VanDerWaalsContact O-CG 3.3Å; I71-K75 WeakPolarHBondContact O-CG 3.48Å; I71-K75 PolarHBondContact O-N 3.4Å; I71-V86 HydrophobicContact CG2-CG1 4.35Å; I71-R89 HydrophobicContact CD1-CB 3.97Å; I71-R89 HydrophobicContact CG1-CB 3.7Å; I71-R90 HydrophobicContact CD1-CG 4.14Å
72	Q	83.8	Confident	80	Confident	140 Å²	140	77.5 Å²	77.5	65%	0.654	45%	0.447	S	S	*	.	H	α-helix	trans	-66.5	-43.5	177.4	-174.1	177.2	-1.6	0	0	111.9	M68 S69 E70 K75 A76	M68-Q72 WeakPolarHBondContact O-CB 3.41Å; M68-Q72 PolarHBondContact O-N 3.43Å; S69-Q72 WeakPolarHBondContact O-CB 3.12Å; S69-Q72 PolarHBondContact O-N 2.88Å; S69-Q72 VanDerWaalsContact O-N 3.11Å; E70-Q72 VanDerWaalsContact C-N 3.28Å; E70-Q72 PolarHBondContact O-N 2.93Å; Q72-K75 PolarHBondContact O-N 3.25Å; Q72-A76 WeakPolarHBondContact O-CB 3.33Å; Q72-A76 PolarHBondContact O-N 3.41Å
73	E	84	Confident	78.8	Confident	129 Å²	129	74 Å²	74	60%	0.603	44%	0.435	S	S	*	.	H	α-helix	trans	-63.6	-45.1	175.5	-73.9	-177.8	179.3	0	0	112.1	S69 E70 K75 A76 N77	S69-E73 PolarHBondContact O-N 3.11Å; E70-E73 PolarHBondContact O-N 2.91Å; E73-K75 VanDerWaalsContact C-N 3.28Å; E73-K75 PolarHBondContact O-N 3.36Å; E73-A76 PolarHBondContact O-N 2.91Å; E73-A76 VanDerWaalsContact O-N 3.14Å; E73-N77 PolarHBondContact O-N 3.01Å
74	L	81.1	Confident	78.1	Confident	40 Å²	40	76.2 Å²	76.2	21%	0.209	46%	0.455	C	S	.	.	H	α-helix	trans	-59.9	-40.4	176.1	-73	169.7	0	0	0	111.4	E70 A79 V86	E70-L74 WeakPolarHBondContact O-CB 3.28Å; E70-L74 VanDerWaalsContact O-CG 3.23Å; E70-L74 WeakPolarHBondContact O-CG 3.39Å; E70-L74 PolarHBondContact O-N 3.49Å; L74-A79 WeakPolarHBondContact O-CB 3.48Å; L74-A79 PolarHBondContact O-N 3.11Å; L74-V86 HydrophobicContact CB-CG2 4.33Å; L74-V86 HydrophobicContact CD1-CG2 4.46Å
75	K	78.9	Confident	77.5	Confident	86 Å²	86	81.4 Å²	81.4	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-67.3	-39.5	174.4	-77.2	-176.8	169.1	-158.1	0	112.6	I71 Q72 E73 N77 G78 E81	I71-K75 HydrophobicContact CG2-CD 4.29Å; I71-K75 WeakPolarHBondContact O-CB 3.22Å; I71-K75 VanDerWaalsContact O-CG 3.3Å; I71-K75 WeakPolarHBondContact O-CG 3.48Å; I71-K75 PolarHBondContact O-N 3.4Å; Q72-K75 PolarHBondContact O-N 3.25Å; E73-K75 VanDerWaalsContact C-N 3.28Å; E73-K75 PolarHBondContact O-N 3.36Å; K75-N77 VanDerWaalsContact C-N 3.33Å; K75-N77 PolarHBondContact O-N 2.76Å; K75-G78 PolarHBondContact O-N 3.19Å; K75-E81 IonicContact NZ-OE1 3.53Å; K75-E81 PolarHBondContact NZ-OE1 3.21Å
76	A	79.7	Confident	76.9	Confident	83 Å²	83	79 Å²	79	69%	0.686	46%	0.46	S	S	*	.	H	α-helix	trans	-66.2	-33.6	178.3	0	0	0	0	0	112.7	Q72 E73 G78	Q72-A76 WeakPolarHBondContact O-CB 3.33Å; Q72-A76 PolarHBondContact O-N 3.41Å; E73-A76 PolarHBondContact O-N 2.91Å; E73-A76 VanDerWaalsContact O-N 3.14Å; A76-G78 PolarHBondContact O-N 3.05Å
77	N	78.6	Confident	76.5	Confident	143 Å²	143	80.9 Å²	80.9	77%	0.765	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	11	178.8	-68.7	-19.7	0	0	0	114.3	E73 K75	E73-N77 PolarHBondContact O-N 3.01Å; K75-N77 VanDerWaalsContact C-N 3.33Å; K75-N77 PolarHBondContact O-N 2.76Å
78	G	67.6	Low	76.2	Confident	63 Å²	63	84.9 Å²	84.9	65%	0.649	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	11.4	172.7	0	0	0	0	0	115.5	K75 A76 K80	K75-G78 PolarHBondContact O-N 3.19Å; A76-G78 PolarHBondContact O-N 3.05Å; G78-K80 PolarHBondContact O-N 3.17Å
79	A	63.3	Low	76.1	Confident	36 Å²	36	83.9 Å²	83.9	30%	0.298	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-67.5	125.1	172	0	0	0	0	0	110.6	L74	L74-A79 WeakPolarHBondContact O-CB 3.48Å; L74-A79 PolarHBondContact O-N 3.11Å
80	K	64.8	Low	75.9	Confident	182 Å²	182	84.9 Å²	84.9	79%	0.791	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-69.2	148.4	176.4	-68.3	-175.4	179.9	-179.8	0	111.2	G78 G82 S83	G78-K80 PolarHBondContact O-N 3.17Å; K80-G82 PolarHBondContact O-N 3.22Å; K80-S83 PolarHBondContact O-N 3.15Å
81	E	59.4	Low	75.9	Confident	138 Å²	138	87.3 Å²	87.3	65%	0.645	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	131.9	171.4	-74.7	-162.5	131.1	0	0	110.9	K75 R90	K75-E81 IonicContact NZ-OE1 3.53Å; K75-E81 PolarHBondContact NZ-OE1 3.21Å; E81-R90 IonicContact OE1-NH2 3.4Å
82	G	61.6	Low	75.8	Confident	54 Å²	54	89.9 Å²	89.9	56%	0.557	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	2.6	-174.3	0	0	0	0	0	115	K80 A84	K80-G82 PolarHBondContact O-N 3.22Å; G82-A84 PolarHBondContact O-N 2.75Å
83	S	67.6	Low	76	Confident	40 Å²	40	83.5 Å²	83.5	28%	0.28	46%	0.462	S	S	.	.			trans	-56	136.9	164.1	165.1	0	0	0	0	110.4	K80 E85 V86 E87	K80-S83 PolarHBondContact O-N 3.15Å; S83-E85 PolarHBondContact O-N 2.79Å; S83-E85 PolarHBondContact OG-N 2.93Å; S83-V86 PolarHBondContact O-N 3.45Å; S83-E87 PolarHBondContact O-N 2.93Å; S83-E87 VanDerWaalsContact O-N 3.11Å
84	A	73.2	Confident	76.1	Confident	86 Å²	86	81 Å²	81	71%	0.711	46%	0.458	S	S	*	.	H	α-helix	trans	-55.8	-33.4	-179.6	0	0	0	0	0	112.6	G82 L88	G82-A84 PolarHBondContact O-N 2.75Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 PolarHBondContact O-N 3.23Å
85	E	75.8	Confident	76.4	Confident	126 Å²	126	83.5 Å²	83.5	59%	0.589	47%	0.47	S	S	*	.	H	α-helix	trans	-68.3	-38.6	176.6	-77.1	178.3	151.7	0	0	112.6	S83 R89	S83-E85 PolarHBondContact O-N 2.79Å; S83-E85 PolarHBondContact OG-N 2.93Å; E85-R89 WeakPolarHBondContact O-CG 3.39Å; E85-R89 PolarHBondContact O-N 3Å; E85-R89 VanDerWaalsContact O-N 3.11Å
86	V	77.6	Confident	76.8	Confident	1 Å²	1	81.4 Å²	81.4	1%	0.006	46%	0.462	C	S	.	.	H	α-helix	trans	-70.5	-41.2	179.1	177.4	0	0	0	0	110.6	I71 L74 S83 R89 R90	I71-V86 HydrophobicContact CG2-CG1 4.35Å; L74-V86 HydrophobicContact CB-CG2 4.33Å; L74-V86 HydrophobicContact CD1-CG2 4.46Å; S83-V86 PolarHBondContact O-N 3.45Å; V86-R89 PolarHBondContact O-N 3.43Å; V86-R90 WeakPolarHBondContact O-CG 3.46Å; V86-R90 PolarHBondContact O-N 2.95Å
87	E	80.6	Confident	77.2	Confident	88 Å²	88	82.1 Å²	82.1	41%	0.411	45%	0.45	S	S	.	.	H	α-helix	trans	-68.9	-34.9	176.6	-71.7	-53.9	129.1	0	0	112.7	S83 R90 M91	S83-E87 PolarHBondContact O-N 2.93Å; S83-E87 VanDerWaalsContact O-N 3.11Å; E87-R90 PolarHBondContact O-N 3.45Å; E87-R90 WeakPolarHBondContact OE1-CD 3.36Å; E87-R90 IonicContact OE1-CZ 2.76Å; E87-R90 IonicContact OE1-NE 3.22Å; E87-R90 PolarHBondContact OE1-NE 3.28Å; E87-R90 IonicContact OE1-NH2 2.63Å; E87-M91 WeakPolarHBondContact O-CB 3.33Å; E87-M91 PolarHBondContact O-N 3.19Å
88	L	82.8	Confident	77.6	Confident	94 Å²	94	81.7 Å²	81.7	49%	0.492	44%	0.444	S	S	.	.	H	α-helix	trans	-62.5	-45	173.1	-176.7	65.5	0	0	0	111.5	A84 M91 Q92	A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 PolarHBondContact O-N 3.23Å; L88-M91 WeakPolarHBondContact O-CB 3.36Å; L88-M91 PolarHBondContact O-N 2.91Å; L88-Q92 WeakPolarHBondContact O-CG 3.44Å; L88-Q92 PolarHBondContact O-N 3.43Å
89	R	82.9	Confident	78.5	Confident	76 Å²	76	82.1 Å²	82.1	29%	0.287	43%	0.432	S	S	.	.	H	α-helix	trans	-66.5	-38.2	176.2	-67.8	-69.8	170.4	75.5	2.9	111.8	V67 E70 I71 E85 V86 M91 Q92 G93	V67-R89 HydrophobicContact CG1-CB 4.17Å; V67-R89 WeakPolarHBondContact CG1-O 3.37Å; E70-R89 IonicContact OE1-NH1 3.01Å; E70-R89 WeakPolarHBondContact OE2-CD 3.4Å; E70-R89 IonicContact OE2-CZ 3.76Å; E70-R89 IonicContact OE2-NE 3.14Å; E70-R89 PolarHBondContact OE2-NE 3.32Å; E70-R89 IonicContact OE2-NH1 3.58Å; E70-R89 PolarHBondContact OE2-NH1 3.22Å; I71-R89 HydrophobicContact CD1-CB 3.97Å; I71-R89 HydrophobicContact CG1-CB 3.7Å; E85-R89 WeakPolarHBondContact O-CG 3.39Å; E85-R89 PolarHBondContact O-N 3Å; E85-R89 VanDerWaalsContact O-N 3.11Å; V86-R89 PolarHBondContact O-N 3.43Å; R89-M91 VanDerWaalsContact C-N 3.34Å; R89-M91 PolarHBondContact O-N 3.12Å; R89-Q92 PolarHBondContact O-N 3.4Å; R89-G93 PolarHBondContact O-N 3.42Å
90	R	82.9	Confident	79.8	Confident	83 Å²	83	81.2 Å²	81.2	31%	0.313	42%	0.422	S	S	.	.	H	α-helix	trans	-60.4	-42.4	170.9	-74.9	-171	-138.5	-101.4	7.1	112	I71 E81 V86 E87 Q92 G93 C94	I71-R90 HydrophobicContact CD1-CG 4.14Å; E81-R90 IonicContact OE1-NH2 3.4Å; V86-R90 WeakPolarHBondContact O-CG 3.46Å; V86-R90 PolarHBondContact O-N 2.95Å; E87-R90 PolarHBondContact O-N 3.45Å; E87-R90 WeakPolarHBondContact OE1-CD 3.36Å; E87-R90 IonicContact OE1-CZ 2.76Å; E87-R90 IonicContact OE1-NE 3.22Å; E87-R90 PolarHBondContact OE1-NE 3.28Å; E87-R90 IonicContact OE1-NH2 2.63Å; R90-Q92 VanDerWaalsContact C-N 3.35Å; R90-G93 PolarHBondContact O-N 3.48Å; R90-C94 PolarHBondContact O-N 3.42Å; R90-C94 PolarHBondContact O-SG 2.72Å; R90-C94 VanDerWaalsContact O-SG 3.4Å
91	M	83.4	Confident	81	Confident	121 Å²	121	79 Å²	79	60%	0.596	41%	0.412	S	S	*	.	H	α-helix	trans	-61.8	-43.2	176.7	-168	-171.1	-58.6	0	0	111.3	E87 L88 R89 G93 C94 I95	E87-M91 WeakPolarHBondContact O-CB 3.33Å; E87-M91 PolarHBondContact O-N 3.19Å; L88-M91 WeakPolarHBondContact O-CB 3.36Å; L88-M91 PolarHBondContact O-N 2.91Å; R89-M91 VanDerWaalsContact C-N 3.34Å; R89-M91 PolarHBondContact O-N 3.12Å; M91-G93 PolarHBondContact O-N 3.48Å; M91-C94 WeakPolarHBondContact O-CB 3.44Å; M91-C94 PolarHBondContact O-N 3.26Å; M91-I95 WeakPolarHBondContact O-CG1 3.49Å; M91-I95 PolarHBondContact O-N 3.49Å; M91-I95 VanDerWaalsContact O-N 3.12Å
92	Q	83.1	Confident	82.3	Confident	78 Å²	78	75.3 Å²	75.3	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-60.5	-43.4	173.3	-71.2	176.4	-16.2	0	0	111.8	L88 R89 R90 C94 I95 H96	L88-Q92 WeakPolarHBondContact O-CG 3.44Å; L88-Q92 PolarHBondContact O-N 3.43Å; R89-Q92 PolarHBondContact O-N 3.4Å; R90-Q92 VanDerWaalsContact C-N 3.35Å; Q92-C94 VanDerWaalsContact C-N 3.35Å; Q92-C94 PolarHBondContact O-N 3.23Å; Q92-I95 WeakPolarHBondContact O-CB 3.45Å; Q92-I95 PolarHBondContact O-N 2.88Å; Q92-H96 PolarHBondContact O-CD2 2.9Å; Q92-H96 PolarHBondContact O-N 2.84Å; Q92-H96 VanDerWaalsContact O-N 3.17Å
93	G	86.1	Confident	83.5	Confident	7 Å²	7	73.6 Å²	73.6	7%	0.072	37%	0.372	C	S	.	.	H	α-helix	trans	-60.2	-40.4	173.8	0	0	0	0	0	113.3	R89 R90 M91 I95 H96 F97	R89-G93 PolarHBondContact O-N 3.42Å; R90-G93 PolarHBondContact O-N 3.48Å; M91-G93 PolarHBondContact O-N 3.48Å; G93-I95 VanDerWaalsContact C-N 3.32Å; G93-I95 PolarHBondContact O-N 2.91Å; G93-H96 PolarHBondContact O-N 2.93Å; G93-F97 WeakPolarHBondContact O-CD2 3.44Å; G93-F97 PolarHBondContact O-N 3.4Å
94	C	86.5	Confident	84.6	Confident	76 Å²	76	75.5 Å²	75.5	51%	0.514	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-38.3	174.9	-74.3	0	0	0	0	112.4	R90 M91 Q92 F97 M98	R90-C94 PolarHBondContact O-N 3.42Å; R90-C94 PolarHBondContact O-SG 2.72Å; R90-C94 VanDerWaalsContact O-SG 3.4Å; M91-C94 WeakPolarHBondContact O-CB 3.44Å; M91-C94 PolarHBondContact O-N 3.26Å; Q92-C94 VanDerWaalsContact C-N 3.35Å; Q92-C94 PolarHBondContact O-N 3.23Å; C94-F97 PolarHBondContact O-N 3.2Å; C94-M98 WeakPolarHBondContact O-CG 3.47Å; C94-M98 PolarHBondContact O-N 2.8Å
95	I	87.9	Confident	85.3	Confident	92 Å²	92	77.9 Å²	77.9	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-63.2	-46	175.7	-65.2	167.2	0	0	0	110.4	M91 Q92 G93 F97 M98 N99	M91-I95 WeakPolarHBondContact O-CG1 3.49Å; M91-I95 PolarHBondContact O-N 3.49Å; M91-I95 VanDerWaalsContact O-N 3.12Å; Q92-I95 WeakPolarHBondContact O-CB 3.45Å; Q92-I95 PolarHBondContact O-N 2.88Å; G93-I95 VanDerWaalsContact C-N 3.32Å; G93-I95 PolarHBondContact O-N 2.91Å; I95-F97 VanDerWaalsContact C-N 3.34Å; I95-F97 PolarHBondContact O-N 2.97Å; I95-M98 PolarHBondContact O-N 3.32Å; I95-N99 PolarHBondContact O-N 3.19Å
96	H	87.6	Confident	85.9	Confident	42 Å²	42	71.9 Å²	71.9	19%	0.194	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-41.1	175.3	-66.6	-63.5	0	0	0	112.1	S63 L64 Q92 G93 M98 N99 L100	S63-H96 VanDerWaalsContact CB-CE1 3.45Å; S63-H96 WeakPolarHBondContact CB-CE1 3.44Å; L64-H96 HydrophobicContact CB-CB 4.1Å; L64-H96 HydrophobicContact CD1-CB 4.27Å; Q92-H96 PolarHBondContact O-CD2 2.9Å; Q92-H96 PolarHBondContact O-N 2.84Å; Q92-H96 VanDerWaalsContact O-N 3.17Å; G93-H96 PolarHBondContact O-N 2.93Å; H96-M98 PolarHBondContact O-N 3.39Å; H96-N99 PolarHBondContact O-N 3.5Å; H96-L100 WeakPolarHBondContact O-CG 3.36Å; H96-L100 PolarHBondContact O-N 3.46Å
97	F	87.8	Confident	86.3	Confident	99 Å²	99	74.2 Å²	74.2	43%	0.434	36%	0.361	S	S	.	.	H	α-helix	trans	-62.4	-38.6	174.1	-94.8	-66.9	0	0	0	113.4	L64 M68 G93 C94 I95 N99 L100 K101	L64-F97 HydrophobicContact CD1-CD2 3.85Å; L64-F97 HydrophobicContact CD1-CE2 3.84Å; L64-F97 HydrophobicContact CD2-CD1 4.32Å; L64-F97 HydrophobicContact CD2-CD2 3.84Å; L64-F97 HydrophobicContact CD2-CE1 4.06Å; L64-F97 HydrophobicContact CD2-CE2 3.55Å; L64-F97 HydrophobicContact CD2-CG 4.22Å; L64-F97 HydrophobicContact CD2-CZ 3.67Å; L64-F97 HydrophobicContact CG-CE2 4.25Å; M68-F97 HydrophobicContact CE-CE2 3.84Å; M68-F97 HydrophobicContact CE-CZ 4.1Å; G93-F97 WeakPolarHBondContact O-CD2 3.44Å; G93-F97 PolarHBondContact O-N 3.4Å; C94-F97 PolarHBondContact O-N 3.2Å; I95-F97 VanDerWaalsContact C-N 3.34Å; I95-F97 PolarHBondContact O-N 2.97Å; F97-N99 VanDerWaalsContact C-N 3.35Å; F97-L100 PolarHBondContact O-N 3.36Å; F97-K101 WeakPolarHBondContact O-CB 3.1Å; F97-K101 WeakPolarHBondContact O-CG 3.48Å; F97-K101 PolarHBondContact O-N 2.98Å
98	M	87.6	Confident	86.7	Confident	133 Å²	133	75.8 Å²	75.8	66%	0.655	37%	0.368	S	S	*	.	H	α-helix	trans	-63.3	-42.5	174.4	-73.1	176.4	68.2	0	0	111	C94 I95 H96 K101 K102	C94-M98 WeakPolarHBondContact O-CG 3.47Å; C94-M98 PolarHBondContact O-N 2.8Å; I95-M98 PolarHBondContact O-N 3.32Å; H96-M98 PolarHBondContact O-N 3.39Å; M98-K101 PolarHBondContact O-N 2.78Å; M98-K102 PolarHBondContact O-N 3.43Å
99	N	87.1	Confident	86.9	Confident	73 Å²	73	74 Å²	74	39%	0.39	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-44.5	175.2	-74.4	-11.2	0	0	0	112.4	I95 H96 F97 K101 K102 L103	I95-N99 PolarHBondContact O-N 3.19Å; H96-N99 PolarHBondContact O-N 3.5Å; F97-N99 VanDerWaalsContact C-N 3.35Å; N99-K101 PolarHBondContact O-N 2.94Å; N99-K102 WeakPolarHBondContact O-CB 3.19Å; N99-K102 PolarHBondContact O-N 2.64Å; N99-L103 WeakPolarHBondContact O-CG 3.44Å; N99-L103 PolarHBondContact O-N 2.98Å
100	L	89.1	Confident	87.1	Confident	17 Å²	17	73.5 Å²	73.5	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-41.9	176.4	-67.4	173.8	0	0	0	112	Y57 C61 L64 H96 F97 K102 L103 N104	Y57-L100 HydrophobicContact CD1-CD2 4.37Å; Y57-L100 HydrophobicContact CD2-CD2 3.34Å; Y57-L100 HydrophobicContact CE1-CD2 4.41Å; Y57-L100 HydrophobicContact CE2-CB 4.25Å; Y57-L100 HydrophobicContact CE2-CD2 3.41Å; Y57-L100 VanDerWaalsContact CE2-CD2 3.41Å; Y57-L100 HydrophobicContact CE2-CG 4.37Å; Y57-L100 HydrophobicContact CG-CD2 3.85Å; Y57-L100 WeakPolarHBondContact O-CD2 3.48Å; C61-L100 VanDerWaalsContact SG-CD2 3.59Å; L64-L100 HydrophobicContact CD2-CD1 4.07Å; H96-L100 WeakPolarHBondContact O-CG 3.36Å; H96-L100 PolarHBondContact O-N 3.46Å; F97-L100 PolarHBondContact O-N 3.36Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.39Å; L100-L103 PolarHBondContact O-N 3.1Å; L100-N104 VanDerWaalsContact O-CB 3.31Å; L100-N104 WeakPolarHBondContact O-CB 3.5Å; L100-N104 PolarHBondContact O-N 3.49Å
101	K	90.3	Very high	87.5	Confident	135 Å²	135	74.1 Å²	74.1	59%	0.587	37%	0.365	S	S	*	.	H	α-helix	trans	-63.1	-39.9	174.6	-77.7	-176.5	176.9	-179.1	0	111.6	F97 M98 N99 N104 R105	F97-K101 WeakPolarHBondContact O-CB 3.1Å; F97-K101 WeakPolarHBondContact O-CG 3.48Å; F97-K101 PolarHBondContact O-N 2.98Å; M98-K101 PolarHBondContact O-N 2.78Å; N99-K101 PolarHBondContact O-N 2.94Å; K101-N104 PolarHBondContact O-N 3.43Å; K101-R105 WeakPolarHBondContact O-CG 3.37Å; K101-R105 PolarHBondContact O-N 3.34Å
102	K	87.1	Confident	87.8	Confident	61 Å²	61	74 Å²	74	27%	0.265	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-51.7	174.5	-172.8	178.5	178.9	-178.9	0	110.8	E44 M98 N99 L100 N104 R105 L106	E44-K102 IonicContact OE1-NZ 3.53Å; E44-K102 PolarHBondContact OE1-NZ 3.4Å; E44-K102 WeakPolarHBondContact OE2-CE 3.31Å; E44-K102 IonicContact OE2-NZ 3.66Å; E44-K102 PolarHBondContact OE2-NZ 3.43Å; M98-K102 PolarHBondContact O-N 3.43Å; N99-K102 WeakPolarHBondContact O-CB 3.19Å; N99-K102 PolarHBondContact O-N 2.64Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.39Å; K102-N104 VanDerWaalsContact C-N 3.29Å; K102-N104 PolarHBondContact O-N 2.89Å; K102-R105 PolarHBondContact O-N 3.47Å; K102-L106 HydrophobicContact CG-CD1 4.29Å; K102-L106 WeakPolarHBondContact O-CG 3.46Å; K102-L106 PolarHBondContact O-N 3.3Å
103	L	87.4	Confident	88	Confident	18 Å²	18	76.2 Å²	76.2	9%	0.094	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-37.4	178.7	-72.7	164.6	0	0	0	112.8	D53 Q56 Y57 N99 L100 L106 A107	D53-L103 HydrophobicContact CB-CD2 3.84Å; Q56-L103 HydrophobicContact CB-CD1 4.34Å; Y57-L103 HydrophobicContact CD2-CB 4.14Å; Y57-L103 HydrophobicContact CD2-CD1 4.31Å; N99-L103 WeakPolarHBondContact O-CG 3.44Å; N99-L103 PolarHBondContact O-N 2.98Å; L100-L103 PolarHBondContact O-N 3.1Å; L103-L106 PolarHBondContact O-N 3.41Å; L103-A107 PolarHBondContact O-N 2.97Å
104	N	89.5	Confident	88.1	Confident	80 Å²	80	77.4 Å²	77.4	43%	0.428	38%	0.379	S	S	.	.	H	α-helix	trans	-67.3	-43.1	176.7	-171.7	-65.5	0	0	0	112.3	L100 K101 K102 L106 A107 H108	L100-N104 VanDerWaalsContact O-CB 3.31Å; L100-N104 WeakPolarHBondContact O-CB 3.5Å; L100-N104 PolarHBondContact O-N 3.49Å; K101-N104 PolarHBondContact O-N 3.43Å; K102-N104 VanDerWaalsContact C-N 3.29Å; K102-N104 PolarHBondContact O-N 2.89Å; N104-L106 VanDerWaalsContact C-N 3.34Å; N104-L106 PolarHBondContact O-N 3.2Å; N104-A107 PolarHBondContact O-N 3.23Å; N104-H108 PolarHBondContact O-CD2 3.36Å; N104-H108 PolarHBondContact O-N 3.37Å; N104-H108 PolarHBondContact OD1-CD2 3.48Å; N104-H108 PolarHBondContact OD1-NE2 3.48Å
105	R	89	Confident	88.5	Confident	135 Å²	135	81.6 Å²	81.6	51%	0.509	38%	0.384	S	S	.	.	H	α-helix	trans	-58.5	-47.5	172	-70.6	177.8	-156.4	168.5	2.8	110.8	E41 K101 K102 A107 H108 M109	E41-R105 IonicContact OE1-NH1 3.64Å; K101-R105 WeakPolarHBondContact O-CG 3.37Å; K101-R105 PolarHBondContact O-N 3.34Å; K102-R105 PolarHBondContact O-N 3.47Å; R105-A107 VanDerWaalsContact C-N 3.32Å; R105-A107 PolarHBondContact O-N 3.02Å; R105-H108 PolarHBondContact O-N 3.28Å; R105-M109 WeakPolarHBondContact O-CB 3.42Å; R105-M109 VanDerWaalsContact O-CG 3.22Å; R105-M109 WeakPolarHBondContact O-CG 3.49Å; R105-M109 PolarHBondContact O-N 3.06Å
106	L	87.1	Confident	88.6	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-57.2	-44	177.5	-69.7	175.5	0	0	0	111.8	E41 L45 K102 L103 N104 M109 R110	E41-L106 HydrophobicContact CB-CD2 4.31Å; E41-L106 WeakPolarHBondContact O-CD2 3.36Å; L45-L106 HydrophobicContact CD2-CB 3.66Å; L45-L106 HydrophobicContact CD2-CD2 3.56Å; L45-L106 HydrophobicContact CD2-CG 4.15Å; L45-L106 WeakPolarHBondContact CD2-O 3.39Å; L45-L106 HydrophobicContact CG-CD2 3.77Å; K102-L106 HydrophobicContact CG-CD1 4.29Å; K102-L106 WeakPolarHBondContact O-CG 3.46Å; K102-L106 PolarHBondContact O-N 3.3Å; L103-L106 PolarHBondContact O-N 3.41Å; N104-L106 VanDerWaalsContact C-N 3.34Å; N104-L106 PolarHBondContact O-N 3.2Å; L106-M109 PolarHBondContact O-N 2.9Å; L106-R110 WeakPolarHBondContact O-CB 3.37Å; L106-R110 PolarHBondContact O-N 3.48Å
107	A	87.2	Confident	88.8	Confident	50 Å²	50	84.9 Å²	84.9	41%	0.413	40%	0.399	S	S	.	.	H	α-helix	trans	-62.9	-44.6	176.9	0	0	0	0	0	113	L103 N104 R105 M109 R110 L111	L103-A107 PolarHBondContact O-N 2.97Å; N104-A107 PolarHBondContact O-N 3.23Å; R105-A107 VanDerWaalsContact C-N 3.32Å; R105-A107 PolarHBondContact O-N 3.02Å; A107-M109 VanDerWaalsContact C-N 3.35Å; A107-R110 PolarHBondContact O-N 3.09Å; A107-L111 WeakPolarHBondContact O-CB 3.31Å; A107-L111 PolarHBondContact O-N 3.09Å
108	H	89.1	Confident	89.1	Confident	120 Å²	120	84.7 Å²	84.7	56%	0.556	41%	0.406	S	S	*	.	H	α-helix	trans	-64.2	-39.6	175.9	-83.5	-58.8	0	0	0	112.5	N104 R105 L111 K112	N104-H108 PolarHBondContact O-CD2 3.36Å; N104-H108 PolarHBondContact O-N 3.37Å; N104-H108 PolarHBondContact OD1-CD2 3.48Å; N104-H108 PolarHBondContact OD1-NE2 3.48Å; R105-H108 PolarHBondContact O-N 3.28Å; H108-L111 PolarHBondContact O-N 3.43Å; H108-K112 WeakPolarHBondContact O-CB 3.45Å; H108-K112 PolarHBondContact O-N 3.42Å
109	M	87.3	Confident	89.4	Confident	57 Å²	57	83 Å²	83	28%	0.281	40%	0.397	S	S	.	.	H	α-helix	trans	-65	-42.4	176	-68.7	-57.8	-74.9	0	0	111.4	E42 L45 R105 L106 A107 L111 K112 R113	E42-M109 HydrophobicContact CG-CE 3.39Å; E42-M109 WeakPolarHBondContact OE1-CE 3.37Å; L45-M109 HydrophobicContact CD1-CB 3.51Å; R105-M109 WeakPolarHBondContact O-CB 3.42Å; R105-M109 VanDerWaalsContact O-CG 3.22Å; R105-M109 WeakPolarHBondContact O-CG 3.49Å; R105-M109 PolarHBondContact O-N 3.06Å; L106-M109 PolarHBondContact O-N 2.9Å; A107-M109 VanDerWaalsContact C-N 3.35Å; M109-L111 PolarHBondContact O-N 3.48Å; M109-K112 PolarHBondContact O-N 3.34Å; M109-R113 WeakPolarHBondContact O-CB 3.47Å; M109-R113 PolarHBondContact O-N 2.92Å
110	R	87.1	Confident	89.6	Confident	66 Å²	66	84.5 Å²	84.5	25%	0.249	40%	0.401	C	S	.	.	H	α-helix	trans	-61.2	-43.8	174.8	-167.4	178.7	-70.8	128.9	-6	112	L45 R48 D53 L106 A107 R113 G114	L45-R110 HydrophobicContact CD2-CB 4.35Å; R48-R110 PolarHBondContact O-NH2 2.97Å; D53-R110 IonicContact OD2-CZ 2.75Å; D53-R110 IonicContact OD2-NH1 3.82Å; D53-R110 IonicContact OD2-NH2 2.79Å; D53-R110 PolarHBondContact OD2-NH2 2.85Å; L106-R110 WeakPolarHBondContact O-CB 3.37Å; L106-R110 PolarHBondContact O-N 3.48Å; A107-R110 PolarHBondContact O-N 3.09Å; R110-R113 PolarHBondContact O-N 2.98Å; R110-G114 PolarHBondContact O-N 3.19Å
111	L	89.6	Confident	89.8	Confident	96 Å²	96	86 Å²	86	50%	0.503	42%	0.417	S	S	.	.	H	α-helix	trans	-63.9	-45.9	177	-172.8	157.7	0	0	0	111.5	A107 H108 M109 R113 G114 R115	A107-L111 WeakPolarHBondContact O-CB 3.31Å; A107-L111 PolarHBondContact O-N 3.09Å; H108-L111 PolarHBondContact O-N 3.43Å; M109-L111 PolarHBondContact O-N 3.48Å; L111-R113 VanDerWaalsContact C-N 3.34Å; L111-R113 PolarHBondContact O-N 3.4Å; L111-G114 PolarHBondContact O-N 2.97Å; L111-R115 WeakPolarHBondContact O-CB 3.37Å; L111-R115 PolarHBondContact O-N 2.93Å
112	K	90.7	Very high	90	Very high	119 Å²	119	85.5 Å²	85.5	52%	0.517	41%	0.414	S	S	.	.	H	α-helix	trans	-58.4	-47.9	177.2	-174.9	-177.9	174.9	-166.5	0	110.6	H108 M109 G114 R115 D116	H108-K112 WeakPolarHBondContact O-CB 3.45Å; H108-K112 PolarHBondContact O-N 3.42Å; M109-K112 PolarHBondContact O-N 3.34Å; K112-G114 PolarHBondContact O-N 3.48Å; K112-R115 PolarHBondContact O-N 2.85Å; K112-D116 WeakPolarHBondContact CG-OD2 3.47Å; K112-D116 WeakPolarHBondContact O-CB 2.9Å; K112-D116 VanDerWaalsContact O-CG 3.25Å; K112-D116 PolarHBondContact O-N 3.04Å
113	R	87.9	Confident	90.3	Very high	123 Å²	123	87.4 Å²	87.4	46%	0.464	42%	0.424	S	S	.	.	H	α-helix	trans	-58.8	-45	177.5	-173.8	174.5	176.3	-172.6	-4.9	113.1	D46 M109 R110 L111 R115 D116 Q117	D46-R113 VanDerWaalsContact CG-NH1 3.31Å; D46-R113 IonicContact OD1-CZ 2.6Å; D46-R113 IonicContact OD1-NH1 3.78Å; D46-R113 PolarHBondContact OD1-NH1 3.26Å; D46-R113 IonicContact OD1-NH2 3.26Å; D46-R113 PolarHBondContact OD1-NH2 2.73Å; D46-R113 IonicContact OD2-NH1 3.77Å; D46-R113 PolarHBondContact OD2-NH1 3.2Å; D46-R113 IonicContact OD2-NH2 2.84Å; M109-R113 WeakPolarHBondContact O-CB 3.47Å; M109-R113 PolarHBondContact O-N 2.92Å; R110-R113 PolarHBondContact O-N 2.98Å; L111-R113 VanDerWaalsContact C-N 3.34Å; L111-R113 PolarHBondContact O-N 3.4Å; R113-R115 PolarHBondContact O-N 3.49Å; R113-D116 PolarHBondContact O-N 3.02Å; R113-Q117 VanDerWaalsContact O-CB 3.31Å; R113-Q117 WeakPolarHBondContact O-CB 3.22Å; R113-Q117 PolarHBondContact O-N 3.47Å
114	G	87.9	Confident	90.6	Very high	32 Å²	32	93.1 Å²	93.1	33%	0.33	45%	0.448	S	S	.	.	H	α-helix	trans	-64.5	-38.6	176.9	0	0	0	0	0	113	R110 L111 K112 T118	R110-G114 PolarHBondContact O-N 3.19Å; L111-G114 PolarHBondContact O-N 2.97Å; K112-G114 PolarHBondContact O-N 3.48Å; G114-T118 WeakPolarHBondContact O-CG2 3.48Å; G114-T118 PolarHBondContact O-N 2.92Å; G114-T118 VanDerWaalsContact O-N 3.09Å; G114-T118 PolarHBondContact O-OG1 3.1Å
115	R	93.3	Very high	90.9	Very high	165 Å²	165	93.6 Å²	93.6	62%	0.623	45%	0.454	S	S	*	.	H	α-helix	trans	-65.7	-45.3	174.9	-175.7	-178.6	-69.2	174.4	-2.1	111.6	L111 K112 R113 T118 H119	L111-R115 WeakPolarHBondContact O-CB 3.37Å; L111-R115 PolarHBondContact O-N 2.93Å; K112-R115 PolarHBondContact O-N 2.85Å; R113-R115 PolarHBondContact O-N 3.49Å; R115-T118 PolarHBondContact O-N 3.36Å; R115-T118 PolarHBondContact O-OG1 3.5Å; R115-H119 VanDerWaalsContact O-CB 3.25Å; R115-H119 WeakPolarHBondContact O-CB 3.42Å; R115-H119 PolarHBondContact O-N 3.47Å
116	D	91.8	Very high	91.1	Very high	70 Å²	70	91.3 Å²	91.3	37%	0.374	45%	0.452	S	S	.	.	H	α-helix	trans	-66.1	-44	-178.9	-67.1	-13.9	0	0	0	110.2	K112 R113 T118 H119 E120	K112-D116 WeakPolarHBondContact CG-OD2 3.47Å; K112-D116 WeakPolarHBondContact O-CB 2.9Å; K112-D116 VanDerWaalsContact O-CG 3.25Å; K112-D116 PolarHBondContact O-N 3.04Å; R113-D116 PolarHBondContact O-N 3.02Å; D116-T118 PolarHBondContact O-N 3.28Å; D116-H119 PolarHBondContact O-N 3.04Å; D116-E120 WeakPolarHBondContact O-CB 3.37Å; D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 2.96Å
117	Q	91.4	Very high	91.5	Very high	132 Å²	132	95.2 Å²	95.2	62%	0.617	48%	0.475	S	S	*	.	H	α-helix	trans	-61.3	-44	177.1	-172	-179.1	20.3	0	0	113	R113 E120 A121	R113-Q117 VanDerWaalsContact O-CB 3.31Å; R113-Q117 WeakPolarHBondContact O-CB 3.22Å; R113-Q117 PolarHBondContact O-N 3.47Å; Q117-E120 PolarHBondContact O-N 2.9Å; Q117-A121 PolarHBondContact O-N 2.84Å
118	T	93.4	Very high	91.7	Very high	95 Å²	95	98 Å²	98	58%	0.583	48%	0.483	S	S	*	.	H	α-helix	trans	-69.3	-35.8	177.5	49.7	0	0	0	0	111.8	G114 R115 D116 A121 K122	G114-T118 WeakPolarHBondContact O-CG2 3.48Å; G114-T118 PolarHBondContact O-N 2.92Å; G114-T118 VanDerWaalsContact O-N 3.09Å; G114-T118 PolarHBondContact O-OG1 3.1Å; R115-T118 PolarHBondContact O-N 3.36Å; R115-T118 PolarHBondContact O-OG1 3.5Å; D116-T118 PolarHBondContact O-N 3.28Å; T118-A121 PolarHBondContact O-N 3.23Å; T118-K122 WeakPolarHBondContact O-CB 3.46Å; T118-K122 PolarHBondContact O-N 2.82Å
119	H	93.3	Very high	92	Very high	97 Å²	97	97 Å²	97	45%	0.449	48%	0.478	S	S	.	.	H	α-helix	trans	-66.4	-43.2	175.1	-168	59.7	0	0	0	111.9	R115 D116 A121 K122 Q123	R115-H119 VanDerWaalsContact O-CB 3.25Å; R115-H119 WeakPolarHBondContact O-CB 3.42Å; R115-H119 PolarHBondContact O-N 3.47Å; D116-H119 PolarHBondContact O-N 3.04Å; H119-A121 PolarHBondContact O-N 2.93Å; H119-K122 PolarHBondContact O-N 3.49Å; H119-Q123 PolarHBondContact CD2-NE2 2.89Å; H119-Q123 VanDerWaalsContact CD2-NE2 3.25Å; H119-Q123 PolarHBondContact NE2-NE2 3.37Å; H119-Q123 WeakPolarHBondContact O-CG 3.36Å; H119-Q123 PolarHBondContact O-N 3.31Å
120	E	92.4	Very high	92.3	Very high	105 Å²	105	99.4 Å²	99.4	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-44.3	173.9	-76.6	179.6	-167.6	0	0	112.1	D116 Q117 Q123 K124	D116-E120 WeakPolarHBondContact O-CB 3.37Å; D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 2.96Å; Q117-E120 PolarHBondContact O-N 2.9Å; E120-Q123 PolarHBondContact O-N 3.5Å; E120-K124 WeakPolarHBondContact O-CG 3.47Å; E120-K124 PolarHBondContact O-N 3.2Å
121	A	93.2	Very high	92.6	Very high	50 Å²	50	101.4 Å²	101.4	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-43	176.9	0	0	0	0	0	111.6	Q117 T118 H119 K124 V125	Q117-A121 PolarHBondContact O-N 2.84Å; T118-A121 PolarHBondContact O-N 3.23Å; H119-A121 PolarHBondContact O-N 2.93Å; A121-K124 PolarHBondContact O-N 2.84Å; A121-V125 WeakPolarHBondContact O-CG2 3.41Å; A121-V125 PolarHBondContact O-N 3.37Å; A121-V125 VanDerWaalsContact O-N 3.1Å
122	K	94.8	Very high	92.8	Very high	124 Å²	124	101 Å²	101	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-59.4	-47.6	174.4	-178.2	-171.8	170.3	-177.3	0	111.4	T118 H119 K124 V125 D126	T118-K122 WeakPolarHBondContact O-CB 3.46Å; T118-K122 PolarHBondContact O-N 2.82Å; H119-K122 PolarHBondContact O-N 3.49Å; K122-K124 VanDerWaalsContact C-N 3.27Å; K122-K124 PolarHBondContact O-N 3.39Å; K122-V125 PolarHBondContact O-N 3.08Å; K122-V125 VanDerWaalsContact O-N 3.08Å; K122-D126 WeakPolarHBondContact CE-OD2 3.4Å; K122-D126 PolarHBondContact O-N 3.02Å
123	Q	93.8	Very high	92.9	Very high	101 Å²	101	99.8 Å²	99.8	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-57.7	-40.8	178.1	-74.6	-178.5	2.8	0	0	111.7	H119 E120 V125 D126 V127	H119-Q123 PolarHBondContact CD2-NE2 2.89Å; H119-Q123 VanDerWaalsContact CD2-NE2 3.25Å; H119-Q123 PolarHBondContact NE2-NE2 3.37Å; H119-Q123 WeakPolarHBondContact O-CG 3.36Å; H119-Q123 PolarHBondContact O-N 3.31Å; E120-Q123 PolarHBondContact O-N 3.5Å; Q123-V125 PolarHBondContact O-N 3.43Å; Q123-D126 PolarHBondContact O-N 3.35Å; Q123-V127 VanDerWaalsContact O-CG2 3.3Å; Q123-V127 WeakPolarHBondContact O-CG2 3.25Å; Q123-V127 PolarHBondContact O-N 3.42Å
124	K	93.3	Very high	93.2	Very high	138 Å²	138	98.6 Å²	98.6	60%	0.6	50%	0.501	S	S	*	.	H	α-helix	trans	-62.1	-41.9	175.3	-70.2	170.5	-175.2	170.3	0	112.3	E120 A121 K122 V127 L128	E120-K124 WeakPolarHBondContact O-CG 3.47Å; E120-K124 PolarHBondContact O-N 3.2Å; A121-K124 PolarHBondContact O-N 2.84Å; K122-K124 VanDerWaalsContact C-N 3.27Å; K122-K124 PolarHBondContact O-N 3.39Å; K124-V127 PolarHBondContact O-N 3.08Å; K124-L128 WeakPolarHBondContact O-CG 3.44Å; K124-L128 PolarHBondContact O-N 3.49Å; K124-L128 VanDerWaalsContact O-N 3.08Å
125	V	94.8	Very high	93.4	Very high	90 Å²	90	101.8 Å²	101.8	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-43.5	176.7	173.3	0	0	0	0	111.3	A121 K122 Q123 V127 L128 H129	A121-V125 WeakPolarHBondContact O-CG2 3.41Å; A121-V125 PolarHBondContact O-N 3.37Å; A121-V125 VanDerWaalsContact O-N 3.1Å; K122-V125 PolarHBondContact O-N 3.08Å; K122-V125 VanDerWaalsContact O-N 3.08Å; Q123-V125 PolarHBondContact O-N 3.43Å; V125-V127 VanDerWaalsContact C-N 3.29Å; V125-V127 PolarHBondContact O-N 3.06Å; V125-L128 PolarHBondContact O-N 3.32Å; V125-H129 WeakPolarHBondContact O-CB 3.42Å; V125-H129 PolarHBondContact O-N 3.25Å
126	D	94.4	Very high	93.4	Very high	86 Å²	86	98.4 Å²	98.4	46%	0.46	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-38.7	178.1	-69.9	-24	0	0	0	111	K122 Q123 H129 L130	K122-D126 WeakPolarHBondContact CE-OD2 3.4Å; K122-D126 PolarHBondContact O-N 3.02Å; Q123-D126 PolarHBondContact O-N 3.35Å; D126-H129 PolarHBondContact O-N 2.92Å; D126-L130 WeakPolarHBondContact O-CB 3.49Å; D126-L130 PolarHBondContact O-N 3.29Å
127	V	93.9	Very high	93.6	Very high	83 Å²	83	102.3 Å²	102.3	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-63.3	-46.7	173.7	170.9	0	0	0	0	111.7	Q123 K124 V125 H129 L130 Q131	Q123-V127 VanDerWaalsContact O-CG2 3.3Å; Q123-V127 WeakPolarHBondContact O-CG2 3.25Å; Q123-V127 PolarHBondContact O-N 3.42Å; K124-V127 PolarHBondContact O-N 3.08Å; V125-V127 VanDerWaalsContact C-N 3.29Å; V125-V127 PolarHBondContact O-N 3.06Å; V127-H129 VanDerWaalsContact C-N 3.34Å; V127-H129 PolarHBondContact O-N 3.22Å; V127-L130 PolarHBondContact O-N 2.96Å; V127-Q131 WeakPolarHBondContact O-CG 3.44Å; V127-Q131 PolarHBondContact O-N 2.98Å
128	L	93.1	Very high	93.6	Very high	109 Å²	109	101.1 Å²	101.1	57%	0.571	51%	0.509	S	S	*	.	H	α-helix	trans	-64.8	-38.5	177.2	-71.7	172.3	0	0	0	111.9	K124 V125 L130 Q131 L132	K124-L128 WeakPolarHBondContact O-CG 3.44Å; K124-L128 PolarHBondContact O-N 3.49Å; K124-L128 VanDerWaalsContact O-N 3.08Å; V125-L128 PolarHBondContact O-N 3.32Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-Q131 WeakPolarHBondContact O-CB 3.3Å; L128-Q131 PolarHBondContact O-N 2.93Å; L128-L132 PolarHBondContact O-N 3.47Å
129	H	93.8	Very high	93.6	Very high	100 Å²	100	100.7 Å²	100.7	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-39.7	176.3	-169.2	72.2	0	0	0	111.5	V125 D126 V127 L132 Q133	V125-H129 WeakPolarHBondContact O-CB 3.42Å; V125-H129 PolarHBondContact O-N 3.25Å; D126-H129 PolarHBondContact O-N 2.92Å; V127-H129 VanDerWaalsContact C-N 3.34Å; V127-H129 PolarHBondContact O-N 3.22Å; H129-L132 PolarHBondContact O-N 3.28Å; H129-Q133 PolarHBondContact NE2-NE2 3.45Å; H129-Q133 WeakPolarHBondContact O-CG 3.4Å; H129-Q133 PolarHBondContact O-N 2.88Å
130	L	94.8	Very high	93.6	Very high	107 Å²	107	99.9 Å²	99.9	56%	0.56	50%	0.503	S	S	*	.	H	α-helix	trans	-62.6	-41.8	173.9	-175.9	64.3	0	0	0	111.7	D126 V127 L128 L132 Q133 N134	D126-L130 WeakPolarHBondContact O-CB 3.49Å; D126-L130 PolarHBondContact O-N 3.29Å; V127-L130 PolarHBondContact O-N 2.96Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.27Å; L130-Q133 PolarHBondContact O-N 2.97Å; L130-N134 VanDerWaalsContact O-CG 3.23Å; L130-N134 PolarHBondContact O-N 3.43Å; L130-N134 PolarHBondContact O-ND2 3.38Å
131	Q	92.6	Very high	93.5	Very high	107 Å²	107	99.2 Å²	99.2	50%	0.5	50%	0.499	S	S	.	.	H	α-helix	trans	-60.8	-42.6	174.4	-71.6	177.3	-8.5	0	0	111.9	V127 L128 N134 L135	V127-Q131 WeakPolarHBondContact O-CG 3.44Å; V127-Q131 PolarHBondContact O-N 2.98Å; L128-Q131 WeakPolarHBondContact O-CB 3.3Å; L128-Q131 PolarHBondContact O-N 2.93Å; Q131-N134 PolarHBondContact O-N 3.36Å; Q131-L135 WeakPolarHBondContact O-CG 3.41Å; Q131-L135 PolarHBondContact O-N 3.19Å; Q131-L135 VanDerWaalsContact O-N 3.11Å
132	L	94.1	Very high	93.4	Very high	89 Å²	89	100.8 Å²	100.8	47%	0.466	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-43.7	175.6	179.3	64.2	0	0	0	112	L128 H129 L130 N134 L135 L136	L128-L132 PolarHBondContact O-N 3.47Å; H129-L132 PolarHBondContact O-N 3.28Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.27Å; L132-N134 VanDerWaalsContact C-N 3.32Å; L132-N134 PolarHBondContact O-N 3.02Å; L132-L135 PolarHBondContact O-N 3.31Å; L132-L136 HydrophobicContact CD1-CG 4.43Å; L132-L136 HydrophobicContact CG-CD1 4.27Å; L132-L136 WeakPolarHBondContact O-CG 3.38Å; L132-L136 PolarHBondContact O-N 2.93Å
133	Q	93.5	Very high	93.2	Very high	93 Å²	93	101 Å²	101	44%	0.435	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-39	177.4	-71.3	-64.6	-15.9	0	0	112.2	H129 L130 L135 L136 Y137	H129-Q133 PolarHBondContact NE2-NE2 3.45Å; H129-Q133 WeakPolarHBondContact O-CG 3.4Å; H129-Q133 PolarHBondContact O-N 2.88Å; L130-Q133 PolarHBondContact O-N 2.97Å; Q133-L135 VanDerWaalsContact C-N 3.35Å; Q133-L135 PolarHBondContact O-N 3.35Å; Q133-L136 PolarHBondContact O-N 3.49Å; Q133-Y137 WeakPolarHBondContact O-CB 3.49Å; Q133-Y137 PolarHBondContact O-N 3.11Å
134	N	93.3	Very high	93	Very high	98 Å²	98	102.3 Å²	102.3	52%	0.524	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-44.6	174.4	-67.4	-19.4	0	0	0	111.4	L130 Q131 L132 Y137 E138	L130-N134 VanDerWaalsContact O-CG 3.23Å; L130-N134 PolarHBondContact O-N 3.43Å; L130-N134 PolarHBondContact O-ND2 3.38Å; Q131-N134 PolarHBondContact O-N 3.36Å; L132-N134 VanDerWaalsContact C-N 3.32Å; L132-N134 PolarHBondContact O-N 3.02Å; N134-Y137 PolarHBondContact O-N 3.42Å; N134-E138 PolarHBondContact O-N 2.96Å
135	L	93.4	Very high	92.9	Very high	98 Å²	98	100.2 Å²	100.2	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-66.3	-41.3	177.6	-69.7	172.3	0	0	0	112.5	Q131 L132 Q133 Y137 E138 V139	Q131-L135 WeakPolarHBondContact O-CG 3.41Å; Q131-L135 PolarHBondContact O-N 3.19Å; Q131-L135 VanDerWaalsContact O-N 3.11Å; L132-L135 PolarHBondContact O-N 3.31Å; Q133-L135 VanDerWaalsContact C-N 3.35Å; Q133-L135 PolarHBondContact O-N 3.35Å; L135-Y137 VanDerWaalsContact C-N 3.29Å; L135-Y137 PolarHBondContact O-N 3.34Å; L135-E138 WeakPolarHBondContact O-CB 3.39Å; L135-E138 PolarHBondContact O-N 2.97Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 3.21Å
136	L	93.2	Very high	92.6	Very high	94 Å²	94	100.9 Å²	100.9	49%	0.492	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-38.5	176.2	-72.5	176.2	0	0	0	111.7	L132 Q133 M140	L132-L136 HydrophobicContact CD1-CG 4.43Å; L132-L136 HydrophobicContact CG-CD1 4.27Å; L132-L136 WeakPolarHBondContact O-CG 3.38Å; L132-L136 PolarHBondContact O-N 2.93Å; Q133-L136 PolarHBondContact O-N 3.49Å; L136-M140 WeakPolarHBondContact O-CB 3.26Å; L136-M140 PolarHBondContact O-N 2.98Å
137	Y	94.3	Very high	92.2	Very high	152 Å²	152	99.3 Å²	99.3	60%	0.596	50%	0.495	S	S	*	.	H	α-helix	trans	-63.8	-43.1	173.2	-177.6	-93.1	0	0	0	111.6	Q133 N134 L135 M140 H141	Q133-Y137 WeakPolarHBondContact O-CB 3.49Å; Q133-Y137 PolarHBondContact O-N 3.11Å; N134-Y137 PolarHBondContact O-N 3.42Å; L135-Y137 VanDerWaalsContact C-N 3.29Å; L135-Y137 PolarHBondContact O-N 3.34Å; Y137-M140 HydrophobicContact CD2-CE 3.91Å; Y137-M140 HydrophobicContact CE2-CE 3.95Å; Y137-M140 PolarHBondContact O-N 2.89Å; Y137-H141 WeakPolarHBondContact O-CB 3.48Å; Y137-H141 PolarHBondContact O-N 3.4Å
138	E	93.2	Very high	91.9	Very high	108 Å²	108	102.9 Å²	102.9	51%	0.505	50%	0.504	S	S	.	.	H	α-helix	trans	-61.2	-47.3	176.5	-173.2	175.7	-174.7	0	0	111.7	N134 L135 M140 H141 L142	N134-E138 PolarHBondContact O-N 2.96Å; L135-E138 WeakPolarHBondContact O-CB 3.39Å; L135-E138 PolarHBondContact O-N 2.97Å; E138-M140 PolarHBondContact O-N 2.99Å; E138-H141 PolarHBondContact O-N 2.78Å; E138-L142 HydrophobicContact CG-CD1 4.09Å; E138-L142 HydrophobicContact CG-CG 4.46Å; E138-L142 WeakPolarHBondContact O-CB 3.33Å; E138-L142 VanDerWaalsContact O-CG 3.31Å; E138-L142 WeakPolarHBondContact O-CG 3.45Å; E138-L142 PolarHBondContact O-N 2.8Å
139	V	92.4	Very high	91.5	Very high	86 Å²	86	101.9 Å²	101.9	52%	0.521	51%	0.505	S	S	.	.	H	α-helix	trans	-59.2	-46.4	175.6	171.7	0	0	0	0	111.1	L135 H141 L142 Q143	L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 3.21Å; V139-H141 VanDerWaalsContact C-N 3.33Å; V139-H141 PolarHBondContact O-N 3Å; V139-L142 PolarHBondContact O-N 3.23Å; V139-Q143 WeakPolarHBondContact O-CB 3.31Å; V139-Q143 PolarHBondContact O-N 3.45Å
140	M	92.7	Very high	90.8	Very high	79 Å²	79	103.9 Å²	103.9	39%	0.389	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-40.3	177.7	-174.1	-160.9	59.9	0	0	111.5	L136 Y137 E138 K144	L136-M140 WeakPolarHBondContact O-CB 3.26Å; L136-M140 PolarHBondContact O-N 2.98Å; Y137-M140 HydrophobicContact CD2-CE 3.91Å; Y137-M140 HydrophobicContact CE2-CE 3.95Å; Y137-M140 PolarHBondContact O-N 2.89Å; E138-M140 PolarHBondContact O-N 2.99Å; M140-K144 HydrophobicContact CG-CD 4.46Å; M140-K144 WeakPolarHBondContact O-CB 3.36Å; M140-K144 WeakPolarHBondContact O-CG 3.46Å; M140-K144 PolarHBondContact O-N 2.82Å
141	H	91.8	Very high	90.2	Very high	91 Å²	91	105.8 Å²	105.8	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-50.5	176.9	-176.7	-81.3	0	0	0	110.8	Y137 E138 V139 Q143 K144 E145	Y137-H141 WeakPolarHBondContact O-CB 3.48Å; Y137-H141 PolarHBondContact O-N 3.4Å; E138-H141 PolarHBondContact O-N 2.78Å; V139-H141 VanDerWaalsContact C-N 3.33Å; V139-H141 PolarHBondContact O-N 3Å; H141-Q143 VanDerWaalsContact C-N 3.32Å; H141-Q143 PolarHBondContact O-N 3.19Å; H141-K144 WeakPolarHBondContact O-CB 3.46Å; H141-K144 PolarHBondContact O-N 3.34Å; H141-E145 IonicContact CE1-OE2 3.04Å; H141-E145 PolarHBondContact CE1-OE2 2.86Å; H141-E145 IonicContact ND1-OE2 3.81Å; H141-E145 PolarHBondContact ND1-OE2 3.19Å; H141-E145 WeakPolarHBondContact O-CB 3.34Å; H141-E145 PolarHBondContact O-N 3.38Å
142	L	91.5	Very high	89.5	Confident	84 Å²	84	108 Å²	108	44%	0.44	53%	0.533	S	S	.	.	H	α-helix	trans	-60.4	-40.7	178.1	-70.3	173.2	0	0	0	111.8	E138 V139 E145 I146	E138-L142 HydrophobicContact CG-CD1 4.09Å; E138-L142 HydrophobicContact CG-CG 4.46Å; E138-L142 WeakPolarHBondContact O-CB 3.33Å; E138-L142 VanDerWaalsContact O-CG 3.31Å; E138-L142 WeakPolarHBondContact O-CG 3.45Å; E138-L142 PolarHBondContact O-N 2.8Å; V139-L142 PolarHBondContact O-N 3.23Å; L142-E145 PolarHBondContact O-N 3.4Å; L142-I146 WeakPolarHBondContact O-CB 3.35Å; L142-I146 VanDerWaalsContact O-CG1 3.26Å; L142-I146 WeakPolarHBondContact O-CG1 3.33Å; L142-I146 PolarHBondContact O-N 2.84Å
143	Q	89.9	Confident	88.4	Confident	128 Å²	128	111.7 Å²	111.7	60%	0.598	55%	0.545	S	S	*	.	H	α-helix	trans	-67	-38.9	177.6	-168.8	175.9	0.8	0	0	112.2	V139 H141 E145 S147	V139-Q143 WeakPolarHBondContact O-CB 3.31Å; V139-Q143 PolarHBondContact O-N 3.45Å; H141-Q143 VanDerWaalsContact C-N 3.32Å; H141-Q143 PolarHBondContact O-N 3.19Å; Q143-E145 VanDerWaalsContact C-N 3.33Å; Q143-S147 WeakPolarHBondContact O-CB 3.48Å; Q143-S147 PolarHBondContact O-N 3.43Å; Q143-S147 PolarHBondContact O-OG 2.9Å
144	K	90.3	Very high	87.3	Confident	129 Å²	129	109.1 Å²	109.1	56%	0.561	54%	0.537	S	S	*	.	H	α-helix	trans	-64.5	-39.4	171.4	-77.1	177	-179.8	175.2	0	111.5	M140 H141 S147 K148	M140-K144 HydrophobicContact CG-CD 4.46Å; M140-K144 WeakPolarHBondContact O-CB 3.36Å; M140-K144 WeakPolarHBondContact O-CG 3.46Å; M140-K144 PolarHBondContact O-N 2.82Å; H141-K144 WeakPolarHBondContact O-CB 3.46Å; H141-K144 PolarHBondContact O-N 3.34Å; K144-S147 PolarHBondContact O-N 2.91Å; K144-K148 VanDerWaalsContact O-CB 3.31Å; K144-K148 WeakPolarHBondContact O-CB 3.47Å; K144-K148 PolarHBondContact O-N 3.46Å
145	E	90.8	Very high	86.1	Confident	94 Å²	94	112.7 Å²	112.7	44%	0.439	55%	0.548	S	S	.	.	H	α-helix	trans	-67.2	-44.4	178.5	-168.2	166.9	-167.4	0	0	111.4	H141 L142 Q143 S147 K148 C149	H141-E145 IonicContact CE1-OE2 3.04Å; H141-E145 PolarHBondContact CE1-OE2 2.86Å; H141-E145 IonicContact ND1-OE2 3.81Å; H141-E145 PolarHBondContact ND1-OE2 3.19Å; H141-E145 WeakPolarHBondContact O-CB 3.34Å; H141-E145 PolarHBondContact O-N 3.38Å; L142-E145 PolarHBondContact O-N 3.4Å; Q143-E145 VanDerWaalsContact C-N 3.33Å; E145-S147 PolarHBondContact O-N 3.41Å; E145-K148 WeakPolarHBondContact O-CB 3.31Å; E145-K148 PolarHBondContact O-N 3.41Å; E145-C149 WeakPolarHBondContact O-CB 3.37Å; E145-C149 PolarHBondContact O-N 3.33Å; E145-C149 PolarHBondContact O-SG 2.83Å
146	I	87.2	Confident	84.8	Confident	103 Å²	103	111.2 Å²	111.2	53%	0.528	54%	0.539	S	S	.	.	H	α-helix	trans	-58.7	-47	172.4	-69.6	165.4	0	0	0	110.6	L142 K148 C149 L150	L142-I146 WeakPolarHBondContact O-CB 3.35Å; L142-I146 VanDerWaalsContact O-CG1 3.26Å; L142-I146 WeakPolarHBondContact O-CG1 3.33Å; L142-I146 PolarHBondContact O-N 2.84Å; I146-K148 VanDerWaalsContact C-N 3.32Å; I146-K148 PolarHBondContact O-N 3.14Å; I146-C149 WeakPolarHBondContact O-CB 3.49Å; I146-C149 PolarHBondContact O-N 3.42Å; I146-C149 VanDerWaalsContact O-N 3.14Å; I146-L150 HydrophobicContact CG2-CD1 3.84Å; I146-L150 HydrophobicContact CG2-CG 4.33Å; I146-L150 WeakPolarHBondContact O-CG 3.49Å; I146-L150 PolarHBondContact O-N 3.36Å
147	S	87.6	Confident	83.5	Confident	53 Å²	53	113 Å²	113	37%	0.371	54%	0.544	S	S	.	.	H	α-helix	trans	-60.5	-44.4	178.6	-54.9	0	0	0	0	110.9	Q143 K144 E145 C149 L150 E151	Q143-S147 WeakPolarHBondContact O-CB 3.48Å; Q143-S147 PolarHBondContact O-N 3.43Å; Q143-S147 PolarHBondContact O-OG 2.9Å; K144-S147 PolarHBondContact O-N 2.91Å; E145-S147 PolarHBondContact O-N 3.41Å; S147-C149 VanDerWaalsContact C-N 3.32Å; S147-C149 PolarHBondContact O-N 3.25Å; S147-L150 PolarHBondContact O-N 3.46Å; S147-E151 WeakPolarHBondContact O-CG 3.25Å; S147-E151 PolarHBondContact O-N 3.24Å
148	K	87.4	Confident	82.1	Confident	159 Å²	159	113.8 Å²	113.8	69%	0.691	55%	0.553	S	S	*	*	H	α-helix	trans	-62	-37.8	174.9	-174.6	-176.9	178	-172.7	0	112.5	K144 E145 I146	K144-K148 VanDerWaalsContact O-CB 3.31Å; K144-K148 WeakPolarHBondContact O-CB 3.47Å; K144-K148 PolarHBondContact O-N 3.46Å; E145-K148 WeakPolarHBondContact O-CB 3.31Å; E145-K148 PolarHBondContact O-N 3.41Å; I146-K148 VanDerWaalsContact C-N 3.32Å; I146-K148 PolarHBondContact O-N 3.14Å
149	C	83.9	Confident	81.1	Confident	88 Å²	88	111.6 Å²	111.6	60%	0.595	55%	0.545	S	S	*	.	H	α-helix	trans	-69.6	-34.6	175.6	-71.7	0	0	0	0	112.3	E145 I146 S147 F152	E145-C149 WeakPolarHBondContact O-CB 3.37Å; E145-C149 PolarHBondContact O-N 3.33Å; E145-C149 PolarHBondContact O-SG 2.83Å; I146-C149 WeakPolarHBondContact O-CB 3.49Å; I146-C149 PolarHBondContact O-N 3.42Å; I146-C149 VanDerWaalsContact O-N 3.14Å; S147-C149 VanDerWaalsContact C-N 3.32Å; S147-C149 PolarHBondContact O-N 3.25Å; C149-F152 VanDerWaalsContact O-CB 3.25Å; C149-F152 WeakPolarHBondContact O-CB 3.44Å; C149-F152 PolarHBondContact O-N 2.82Å
150	L	79.6	Confident	79.9	Confident	142 Å²	142	114.9 Å²	114.9	74%	0.743	56%	0.559	S	S	*	*	H	α-helix	trans	-77.3	-26.2	176.9	-70.2	172.4	0	0	0	113	I146 S147 F152	I146-L150 HydrophobicContact CG2-CD1 3.84Å; I146-L150 HydrophobicContact CG2-CG 4.33Å; I146-L150 WeakPolarHBondContact O-CG 3.49Å; I146-L150 PolarHBondContact O-N 3.36Å; S147-L150 PolarHBondContact O-N 3.46Å; L150-F152 PolarHBondContact O-N 3.4Å
151	E	81	Confident	78.9	Confident	147 Å²	147	113.9 Å²	113.9	69%	0.687	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-3.5	171.5	-74.4	172.1	-169.3	0	0	113	S147 K153	S147-E151 WeakPolarHBondContact O-CG 3.25Å; S147-E151 PolarHBondContact O-N 3.24Å; E151-K153 PolarHBondContact O-N 3.06Å
152	F	79.4	Confident	78.2	Confident	153 Å²	153	111.9 Å²	111.9	67%	0.671	55%	0.549	S	S	*	.			trans	-66.5	100.4	174.6	-179.6	-102.6	0	0	0	110.2	C149 L150	C149-F152 VanDerWaalsContact O-CB 3.25Å; C149-F152 WeakPolarHBondContact O-CB 3.44Å; C149-F152 PolarHBondContact O-N 2.82Å; L150-F152 PolarHBondContact O-N 3.4Å
153	K	70.5	Confident	77.7	Confident	166 Å²	166	110.3 Å²	110.3	72%	0.722	55%	0.545	S	S	*	.			trans	-89	120.7	166.5	-63.6	-173.4	178.8	-172.5	0	108.7	E151	E151-K153 PolarHBondContact O-N 3.06Å
154	S	69.6	Low	77.2	Confident	40 Å²	40	109.3 Å²	109.3	28%	0.28	54%	0.541	S	S	.	.			trans	-84.8	141.8	175.1	178.8	0	0	0	0	109.4	H156 E157	S154-H156 WeakPolarHBondContact CB-CE1 3.45Å; S154-H156 WeakPolarHBondContact CB-ND1 3.35Å; S154-H156 PolarHBondContact O-N 3.34Å; S154-H156 PolarHBondContact OG-CE1 2.73Å; S154-H156 PolarHBondContact OG-ND1 2.9Å; S154-E157 PolarHBondContact O-N 3.36Å; S154-E157 VanDerWaalsContact O-N 3.11Å
155	K	67.9	Low	76.6	Confident	172 Å²	172	110.4 Å²	110.4	75%	0.748	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-59.8	-16.7	-173.8	-66.7	-174.5	176.9	-175.2	0	114.7	E157 E158	K155-E157 PolarHBondContact O-N 3.18Å; K155-E158 PolarHBondContact O-N 3.37Å
156	H	66.1	Low	76	Confident	68 Å²	68	110.7 Å²	110.7	32%	0.315	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-68.6	-20.9	177.8	72.3	-76.2	0	0	0	113.4	S154 E158 I159 L193	S154-H156 WeakPolarHBondContact CB-CE1 3.45Å; S154-H156 WeakPolarHBondContact CB-ND1 3.35Å; S154-H156 PolarHBondContact O-N 3.34Å; S154-H156 PolarHBondContact OG-CE1 2.73Å; S154-H156 PolarHBondContact OG-ND1 2.9Å; H156-E158 PolarHBondContact O-N 3.37Å; H156-I159 PolarHBondContact O-N 3.49Å; H156-L193 HydrophobicContact CB-CD1 3.9Å; H156-L193 HydrophobicContact CB-CD2 4.32Å
157	E	66.1	Low	75.8	Confident	130 Å²	130	105.8 Å²	105.8	61%	0.607	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-69.9	-19.4	176.1	-67.2	179.1	-176.6	0	0	113	S154 K155	S154-E157 PolarHBondContact O-N 3.36Å; S154-E157 VanDerWaalsContact O-N 3.11Å; K155-E157 PolarHBondContact O-N 3.18Å
158	E	66	Low	75.4	Confident	169 Å²	169	106.3 Å²	106.3	79%	0.79	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-94.1	-2.4	178	-64.1	179.1	173.2	0	0	112.9	K155 H156	K155-E158 PolarHBondContact O-N 3.37Å; H156-E158 PolarHBondContact O-N 3.37Å
159	I	70.6	Confident	75	Confident	62 Å²	62	105.7 Å²	105.7	32%	0.318	52%	0.519	S	S	.	.	S	Bend	trans	-96.5	119.9	-177.2	-56.9	175.5	0	0	0	108.5	H156 L161 L193	H156-I159 PolarHBondContact O-N 3.49Å; I159-L161 HydrophobicContact CG2-CD2 4.48Å; I159-L161 PolarHBondContact O-N 3.02Å; I159-L161 VanDerWaalsContact O-N 3.12Å; I159-L193 HydrophobicContact CD1-CD2 4.33Å
160	D	68.8	Low	74.8	Confident	155 Å²	155	106.8 Å²	106.8	83%	0.829	52%	0.519	S	S	*	.			trans	-67.6	108.5	170.9	-67.9	-34.5	0	0	0	109.3
161	L	71.8	Confident	74.8	Confident	59 Å²	59	100.6 Å²	100.6	31%	0.309	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-85.5	147.5	-177.2	-67.8	166.9	0	0	0	111.7	I159 R192 L193 E196	I159-L161 HydrophobicContact CG2-CD2 4.48Å; I159-L161 PolarHBondContact O-N 3.02Å; I159-L161 VanDerWaalsContact O-N 3.12Å; L161-R192 HydrophobicContact CD2-CB 4.44Å; L161-L193 HydrophobicContact CD2-CD2 3.68Å; L161-L193 HydrophobicContact CD2-CG 4.1Å; L161-E196 WeakPolarHBondContact CA-OE1 3.5Å; L161-E196 WeakPolarHBondContact CD2-OE1 3.44Å
162	V	76.1	Confident	74.8	Confident	49 Å²	49	95.7 Å²	95.7	30%	0.297	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-55.8	141.5	170.1	178.3	0	0	0	0	110.2	E166 E196	V162-E166 HydrophobicContact CG1-CB 3.66Å; V162-E196 HydrophobicContact CG2-CG 3.96Å; V162-E196 PolarHBondContact N-OE1 3.33Å
163	S	81.8	Confident	74.5	Confident	50 Å²	50	95.2 Å²	95.2	35%	0.35	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-58.8	153.1	-178.4	71.2	0	0	0	0	111.8	E165 E166 F167	S163-E165 PolarHBondContact O-N 3.46Å; S163-E166 PolarHBondContact O-N 3.4Å; S163-E166 WeakPolarHBondContact OG-CB 3.33Å; S163-E166 WeakPolarHBondContact OG-CG 3.46Å; S163-E166 PolarHBondContact OG-N 3.11Å; S163-E166 PolarHBondContact OG-OE2 3.33Å; S163-F167 WeakPolarHBondContact O-CB 3.44Å; S163-F167 PolarHBondContact O-N 2.7Å
164	E	78.4	Confident	74.7	Confident	108 Å²	108	94.9 Å²	94.9	51%	0.505	47%	0.474	S	S	.	.	H	α-helix	trans	-58.9	-37.6	-177.4	-39.4	-142.3	127.3	0	0	111.7	F168 R192	E164-F168 WeakPolarHBondContact O-CD2 3.16Å; E164-F168 PolarHBondContact O-N 2.93Å; E164-R192 IonicContact OE1-CZ 3.15Å; E164-R192 VanDerWaalsContact OE1-CZ 3.27Å; E164-R192 IonicContact OE1-NH1 2.87Å; E164-R192 PolarHBondContact OE1-NH1 3.08Å; E164-R192 IonicContact OE1-NH2 2.59Å; E164-R192 PolarHBondContact OE1-NH2 3.42Å; E164-R192 IonicContact OE2-NH2 2.8Å
165	E	78	Confident	75	Confident	151 Å²	151	94.6 Å²	94.6	71%	0.706	47%	0.469	S	S	*	.	H	α-helix	trans	-70.4	-45.1	-176	-60.8	-179.3	177.9	0	0	111.6	S163 Q169	S163-E165 PolarHBondContact O-N 3.46Å; E165-Q169 VanDerWaalsContact O-CG 3.25Å; E165-Q169 WeakPolarHBondContact O-CG 3.22Å; E165-Q169 PolarHBondContact O-N 3.12Å
166	E	78.3	Confident	75.2	Confident	100 Å²	100	86.5 Å²	86.5	47%	0.467	43%	0.434	S	S	.	.	H	α-helix	trans	-69.1	-37.5	177.2	-69.2	165.5	157.6	0	0	111.2	V162 S163 F168 Q169 D170	V162-E166 HydrophobicContact CG1-CB 3.66Å; S163-E166 PolarHBondContact O-N 3.4Å; S163-E166 WeakPolarHBondContact OG-CB 3.33Å; S163-E166 WeakPolarHBondContact OG-CG 3.46Å; S163-E166 PolarHBondContact OG-N 3.11Å; S163-E166 PolarHBondContact OG-OE2 3.33Å; E166-F168 PolarHBondContact O-N 2.97Å; E166-Q169 PolarHBondContact O-N 2.92Å; E166-D170 PolarHBondContact O-N 3.48Å
167	F	82.4	Confident	75.7	Confident	0 Å²	0	90.3 Å²	90.3	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-60.4	-46.1	176.1	171.9	-103.7	0	0	0	112.4	S163 Q169 A171 L188 A191 R192 W195	S163-F167 WeakPolarHBondContact O-CB 3.44Å; S163-F167 PolarHBondContact O-N 2.7Å; F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 3.02Å; F167-A171 HydrophobicContact CD2-CB 3.9Å; F167-A171 HydrophobicContact CE2-CB 3.78Å; F167-A171 HydrophobicContact CZ-CB 4.32Å; F167-A171 WeakPolarHBondContact O-CB 3.38Å; F167-A171 PolarHBondContact O-N 2.81Å; F167-L188 HydrophobicContact CE1-CD1 4.33Å; F167-A191 WeakPolarHBondContact CE2-O 3.13Å; F167-A191 HydrophobicContact CZ-CB 3.78Å; F167-R192 HydrophobicContact CB-CG 4.34Å; F167-R192 HydrophobicContact CD1-CG 3.99Å; F167-R192 HydrophobicContact CD2-CB 4.44Å; F167-R192 HydrophobicContact CD2-CG 3.76Å; F167-R192 HydrophobicContact CE1-CG 4.22Å; F167-R192 HydrophobicContact CE2-CB 4.47Å; F167-R192 HydrophobicContact CE2-CG 4Å; F167-R192 HydrophobicContact CG-CG 3.75Å; F167-R192 HydrophobicContact CZ-CG 4.22Å; F167-W195 HydrophobicContact CD2-CB 4.05Å; F167-W195 AromaticContact CD2-CD1 3.72Å; F167-W195 HydrophobicContact CD2-CG 4.03Å; F167-W195 HydrophobicContact CE2-CB 3.65Å; F167-W195 HydrophobicContact CE2-CG 4.04Å
168	F	79.1	Confident	75.9	Confident	64 Å²	64	86.4 Å²	86.4	28%	0.281	43%	0.432	S	S	.	.	H	α-helix	trans	-73.3	-19.1	179.6	-78.6	-67.1	0	0	0	113.7	E164 E166 S176 P178 K182 L188	E164-F168 WeakPolarHBondContact O-CD2 3.16Å; E164-F168 PolarHBondContact O-N 2.93Å; E166-F168 PolarHBondContact O-N 2.97Å; F168-S176 VanDerWaalsContact CD1-OG 3.22Å; F168-S176 WeakPolarHBondContact CD1-OG 3.41Å; F168-P178 HydrophobicContact CE1-CB 4.33Å; F168-K182 HydrophobicContact CZ-CG 4.29Å; F168-L188 HydrophobicContact CE2-CD1 3.91Å; F168-L188 HydrophobicContact CZ-CD1 3.67Å
169	Q	80.3	Confident	76.1	Confident	146 Å²	146	82.7 Å²	82.7	68%	0.682	42%	0.424	S	S	*	.	H	α-helix	trans	-83.3	-45	176.4	-73	175.7	32.1	0	0	112.3	E165 E166 F167	E165-Q169 VanDerWaalsContact O-CG 3.25Å; E165-Q169 WeakPolarHBondContact O-CG 3.22Å; E165-Q169 PolarHBondContact O-N 3.12Å; E166-Q169 PolarHBondContact O-N 2.92Å; F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 3.02Å
170	D	78.3	Confident	75.9	Confident	112 Å²	112	84.7 Å²	84.7	60%	0.599	44%	0.435	S	S	*	.	H	α-helix	trans	-98.4	-22.8	-169.1	-68.5	-21.6	0	0	0	113.8	E166 W195	E166-D170 PolarHBondContact O-N 3.48Å; D170-W195 HydrophobicContact CB-CZ2 4.09Å; D170-W195 VanDerWaalsContact O-CH2 3.28Å; D170-W195 WeakPolarHBondContact O-CH2 3.28Å; D170-W195 VanDerWaalsContact O-CZ2 3.23Å; D170-W195 WeakPolarHBondContact O-CZ2 3.21Å
171	A	80.6	Confident	76	Confident	11 Å²	11	77.5 Å²	77.5	9%	0.091	40%	0.397	C	S	.	.	S	Bend	trans	-77.1	133.1	-177.4	0	0	0	0	0	112.1	F167 W195	F167-A171 HydrophobicContact CD2-CB 3.9Å; F167-A171 HydrophobicContact CE2-CB 3.78Å; F167-A171 HydrophobicContact CZ-CB 4.32Å; F167-A171 WeakPolarHBondContact O-CB 3.38Å; F167-A171 PolarHBondContact O-N 2.81Å; A171-W195 HydrophobicContact CB-CD2 3.82Å; A171-W195 HydrophobicContact CB-CE3 4.24Å; A171-W195 HydrophobicContact CB-CG 4.02Å; A171-W195 HydrophobicContact CB-CZ2 4.36Å
172	P	80.6	Confident	76	Confident	44 Å²	44	82 Å²	82	29%	0.286	41%	0.414	S	S	.	.			trans	-54.7	146.3	172.5	-24.5	31.1	0	0	0	112.1	E174 I175 S176 W195	P172-E174 PolarHBondContact O-N 3.23Å; P172-I175 PolarHBondContact O-N 2.97Å; P172-S176 WeakPolarHBondContact O-CB 3.41Å; P172-S176 PolarHBondContact O-N 3.2Å; P172-W195 HydrophobicContact CG-CH2 4.22Å; P172-W195 HydrophobicContact CG-CZ3 3.79Å
173	L	74.2	Confident	75.9	Confident	144 Å²	144	86.3 Å²	86.3	75%	0.754	44%	0.435	S	S	*	.	H	α-helix	trans	-57.6	-24.8	-180	-69.4	167.5	0	0	0	113.3	I175 R177	L173-I175 VanDerWaalsContact C-N 3.31Å; L173-I175 PolarHBondContact O-N 2.99Å; L173-R177 PolarHBondContact O-N 3.15Å
174	E	74.7	Confident	75.9	Confident	158 Å²	158	87 Å²	87	74%	0.738	44%	0.435	S	S	*	.	H	α-helix	trans	-65.8	-30.7	176.3	-66.8	169.3	-179.5	0	0	113.2	P172 R177	P172-E174 PolarHBondContact O-N 3.23Å; E174-R177 WeakPolarHBondContact O-CG 3.4Å; E174-R177 PolarHBondContact O-NE 3.43Å
175	I	74.5	Confident	76	Confident	34 Å²	34	86.5 Å²	86.5	17%	0.174	44%	0.441	C	S	.	.	H	α-helix	trans	-103.1	-44.5	-178.3	-60.7	172.3	0	0	0	110.6	P172 L173 R177 W195 E198	P172-I175 PolarHBondContact O-N 2.97Å; L173-I175 VanDerWaalsContact C-N 3.31Å; L173-I175 PolarHBondContact O-N 2.99Å; I175-R177 VanDerWaalsContact C-N 3.29Å; I175-R177 PolarHBondContact O-N 2.79Å; I175-W195 HydrophobicContact CD1-CE3 4.11Å; I175-W195 HydrophobicContact CG2-CB 4.08Å; I175-E198 WeakPolarHBondContact CD1-OE2 3.36Å
176	S	72.9	Confident	76.2	Confident	3 Å²	3	84.7 Å²	84.7	2%	0.021	43%	0.433	C	S	.	.	H	α-helix	trans	-61.1	-34.2	-177.4	-177.6	0	0	0	0	113.7	F168 P172 P178 T181	F168-S176 VanDerWaalsContact CD1-OG 3.22Å; F168-S176 WeakPolarHBondContact CD1-OG 3.41Å; P172-S176 WeakPolarHBondContact O-CB 3.41Å; P172-S176 PolarHBondContact O-N 3.2Å; S176-P178 VanDerWaalsContact O-N 3.17Å; S176-T181 VanDerWaalsContact O-CG2 3.28Å; S176-T181 WeakPolarHBondContact O-CG2 3.4Å; S176-T181 PolarHBondContact O-OG1 3.49Å
177	R	77.1	Confident	76.4	Confident	148 Å²	148	84.1 Å²	84.1	56%	0.558	43%	0.43	S	S	*	.			trans	31	63.6	177.7	-61.4	-177.7	-175	179.9	1.6	114.2	L173 E174 I175 S179 L180 T181	L173-R177 PolarHBondContact O-N 3.15Å; E174-R177 WeakPolarHBondContact O-CG 3.4Å; E174-R177 PolarHBondContact O-NE 3.43Å; I175-R177 VanDerWaalsContact C-N 3.29Å; I175-R177 PolarHBondContact O-N 2.79Å; R177-S179 PolarHBondContact O-N 2.99Å; R177-L180 PolarHBondContact O-N 3.03Å; R177-T181 HydrophobicContact CB-CG2 4.47Å; R177-T181 PolarHBondContact O-N 2.73Å; R177-T181 VanDerWaalsContact O-N 3.15Å; R177-T181 PolarHBondContact O-OG1 2.99Å
178	P	68.9	Low	76.5	Confident	48 Å²	48	85.1 Å²	85.1	31%	0.312	44%	0.435	S	S	.	.	H	α-helix	trans	-61.5	-20.2	-165.9	-23.3	33.9	0	0	0	115.4	F168 S176 T181 K182	F168-P178 HydrophobicContact CE1-CB 4.33Å; S176-P178 VanDerWaalsContact O-N 3.17Å; P178-T181 WeakPolarHBondContact CA-OG1 3.33Å; P178-K182 WeakPolarHBondContact O-CB 3.32Å; P178-K182 WeakPolarHBondContact O-CG 3.25Å
179	S	69.9	Low	76.6	Confident	91 Å²	91	84 Å²	84	64%	0.636	43%	0.433	S	S	*	.	H	α-helix	trans	-74	-25.6	178.1	51	0	0	0	0	113.9	R177 N183	R177-S179 PolarHBondContact O-N 2.99Å; S179-N183 PolarHBondContact O-ND2 3.33Å
180	L	67.1	Low	76.8	Confident	104 Å²	104	80.1 Å²	80.1	55%	0.545	42%	0.417	S	S	.	.	H	α-helix	trans	-104.2	-39.2	-179.6	-71.6	161.7	0	0	0	111.1	R177 K182 N183 D184	R177-L180 PolarHBondContact O-N 3.03Å; L180-K182 PolarHBondContact O-N 2.99Å; L180-N183 PolarHBondContact O-N 3.12Å; L180-D184 PolarHBondContact O-N 3.39Å
181	T	71.3	Confident	77.2	Confident	4 Å²	4	75.3 Å²	75.3	3%	0.025	39%	0.393	C	S	.	.	H	α-helix	trans	-74.4	-24	-174.9	52.3	0	0	0	0	114	S176 R177 P178 N183 L188 A191	S176-T181 VanDerWaalsContact O-CG2 3.28Å; S176-T181 WeakPolarHBondContact O-CG2 3.4Å; S176-T181 PolarHBondContact O-OG1 3.49Å; R177-T181 HydrophobicContact CB-CG2 4.47Å; R177-T181 PolarHBondContact O-N 2.73Å; R177-T181 VanDerWaalsContact O-N 3.15Å; R177-T181 PolarHBondContact O-OG1 2.99Å; P178-T181 WeakPolarHBondContact CA-OG1 3.33Å; T181-N183 VanDerWaalsContact C-N 3.35Å; T181-L188 WeakPolarHBondContact O-CB 3.14Å; T181-A191 HydrophobicContact CG2-CB 3.86Å
182	K	71.6	Confident	77.3	Confident	153 Å²	153	75.8 Å²	75.8	67%	0.665	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.9	174.3	-73.8	-174.6	176.6	-174.4	0	114.1	F168 P178 L180	F168-K182 HydrophobicContact CZ-CG 4.29Å; P178-K182 WeakPolarHBondContact O-CB 3.32Å; P178-K182 WeakPolarHBondContact O-CG 3.25Å; L180-K182 PolarHBondContact O-N 2.99Å
183	N	74.1	Confident	77.6	Confident	140 Å²	140	75.6 Å²	75.6	75%	0.749	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-23.5	-174.4	-66	-32.3	0	0	0	112.9	S179 L180 T181	S179-N183 PolarHBondContact O-ND2 3.33Å; L180-N183 PolarHBondContact O-N 3.12Å; T181-N183 VanDerWaalsContact C-N 3.35Å
184	D	81.5	Confident	78.1	Confident	65 Å²	65	73.5 Å²	73.5	35%	0.348	38%	0.378	S	S	.	.			trans	-128.6	115.4	-178.9	-176.9	-3.2	0	0	0	111.3	L180 H186 Q187 L188	L180-D184 PolarHBondContact O-N 3.39Å; D184-H186 VanDerWaalsContact C-N 3.26Å; D184-H186 PolarHBondContact O-N 3.38Å; D184-H186 WeakPolarHBondContact OD1-CB 3.46Å; D184-H186 PolarHBondContact OD1-N 3.27Å; D184-Q187 HydrophobicContact CB-CB 4.13Å; D184-Q187 HydrophobicContact CB-CG 4.05Å; D184-Q187 PolarHBondContact O-N 2.96Å; D184-Q187 WeakPolarHBondContact OD2-CG 3.41Å; D184-L188 PolarHBondContact O-N 3.35Å; D184-L188 VanDerWaalsContact O-N 3.12Å
185	P	81.1	Confident	78.7	Confident	97 Å²	97	66.7 Å²	66.7	63%	0.63	35%	0.346	S	S	*	.	H	α-helix	trans	-63.4	-29.3	179.3	26.6	-34.5	0	0	0	112.9	L188 T189	P185-L188 WeakPolarHBondContact O-CB 3.4Å; P185-L188 PolarHBondContact O-N 3.48Å; P185-T189 WeakPolarHBondContact O-CG2 3.02Å; P185-T189 PolarHBondContact O-N 3.38Å; P185-T189 VanDerWaalsContact O-N 3.08Å; P185-T189 PolarHBondContact O-OG1 3.38Å
186	H	82.2	Confident	79.1	Confident	113 Å²	113	65.7 Å²	65.7	52%	0.523	34%	0.34	S	S	.	.	H	α-helix	trans	-68.7	-46	178.5	-177.6	55.4	0	0	0	111.1	D184 L188 T189 L190	D184-H186 VanDerWaalsContact C-N 3.26Å; D184-H186 PolarHBondContact O-N 3.38Å; D184-H186 WeakPolarHBondContact OD1-CB 3.46Å; D184-H186 PolarHBondContact OD1-N 3.27Å; H186-L188 VanDerWaalsContact C-N 3.27Å; H186-L188 PolarHBondContact O-N 3.42Å; H186-T189 PolarHBondContact O-N 3.25Å; H186-T189 PolarHBondContact O-OG1 3.47Å; H186-L190 PolarHBondContact O-N 3.06Å
187	Q	82.7	Confident	79.8	Confident	88 Å²	88	69.7 Å²	69.7	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-34.9	175.6	-68.1	-70.1	-24.4	0	0	112.2	D184 L190 A191	D184-Q187 HydrophobicContact CB-CB 4.13Å; D184-Q187 HydrophobicContact CB-CG 4.05Å; D184-Q187 PolarHBondContact O-N 2.96Å; D184-Q187 WeakPolarHBondContact OD2-CG 3.41Å; Q187-L190 PolarHBondContact O-N 3.29Å; Q187-A191 WeakPolarHBondContact O-CB 3.47Å; Q187-A191 PolarHBondContact O-N 3.4Å
188	L	83.6	Confident	80.3	Confident	21 Å²	21	65.7 Å²	65.7	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-47.1	172.9	-173.5	62.3	0	0	0	111.8	F167 F168 T181 D184 P185 H186 A191 R192	F167-L188 HydrophobicContact CE1-CD1 4.33Å; F168-L188 HydrophobicContact CE2-CD1 3.91Å; F168-L188 HydrophobicContact CZ-CD1 3.67Å; T181-L188 WeakPolarHBondContact O-CB 3.14Å; D184-L188 PolarHBondContact O-N 3.35Å; D184-L188 VanDerWaalsContact O-N 3.12Å; P185-L188 WeakPolarHBondContact O-CB 3.4Å; P185-L188 PolarHBondContact O-N 3.48Å; H186-L188 VanDerWaalsContact C-N 3.27Å; H186-L188 PolarHBondContact O-N 3.42Å; L188-A191 PolarHBondContact O-N 3.4Å; L188-R192 VanDerWaalsContact CD2-NH2 3.3Å; L188-R192 WeakPolarHBondContact O-CG 3.29Å; L188-R192 PolarHBondContact O-N 2.9Å
189	T	82.6	Confident	81.1	Confident	39 Å²	39	66.2 Å²	66.2	24%	0.239	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-40.1	178.1	57.1	0	0	0	0	112.8	P185 H186 R192 L193	P185-T189 WeakPolarHBondContact O-CG2 3.02Å; P185-T189 PolarHBondContact O-N 3.38Å; P185-T189 VanDerWaalsContact O-N 3.08Å; P185-T189 PolarHBondContact O-OG1 3.38Å; H186-T189 PolarHBondContact O-N 3.25Å; H186-T189 PolarHBondContact O-OG1 3.47Å; T189-R192 PolarHBondContact O-N 2.86Å; T189-L193 WeakPolarHBondContact O-CG 3.28Å; T189-L193 PolarHBondContact O-N 2.88Å
190	L	84.3	Confident	82	Confident	66 Å²	66	68.8 Å²	68.8	35%	0.346	34%	0.343	S	S	.	.	H	α-helix	trans	-63.9	-45.6	176.1	-70.4	177.6	0	0	0	111.8	H186 Q187 R192 L193 D194	H186-L190 PolarHBondContact O-N 3.06Å; Q187-L190 PolarHBondContact O-N 3.29Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 3.22Å; L190-L193 PolarHBondContact O-N 2.91Å; L190-D194 PolarHBondContact O-N 2.92Å
191	A	85	Confident	83.2	Confident	10 Å²	10	70.5 Å²	70.5	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-36	178.7	0	0	0	0	0	112.3	F167 T181 Q187 L188 W195	F167-A191 WeakPolarHBondContact CE2-O 3.13Å; F167-A191 HydrophobicContact CZ-CB 3.78Å; T181-A191 HydrophobicContact CG2-CB 3.86Å; Q187-A191 WeakPolarHBondContact O-CB 3.47Å; Q187-A191 PolarHBondContact O-N 3.4Å; L188-A191 PolarHBondContact O-N 3.4Å; A191-W195 WeakPolarHBondContact O-CB 2.97Å; A191-W195 PolarHBondContact O-N 3.03Å
192	R	84.3	Confident	84.1	Confident	21 Å²	21	75.6 Å²	75.6	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-45.3	172.2	-74.8	-176	-171.1	157.3	15.6	112.5	L161 E164 F167 L188 T189 L190 D194 W195 E196	L161-R192 HydrophobicContact CD2-CB 4.44Å; E164-R192 IonicContact OE1-CZ 3.15Å; E164-R192 VanDerWaalsContact OE1-CZ 3.27Å; E164-R192 IonicContact OE1-NH1 2.87Å; E164-R192 PolarHBondContact OE1-NH1 3.08Å; E164-R192 IonicContact OE1-NH2 2.59Å; E164-R192 PolarHBondContact OE1-NH2 3.42Å; E164-R192 IonicContact OE2-NH2 2.8Å; F167-R192 HydrophobicContact CB-CG 4.34Å; F167-R192 HydrophobicContact CD1-CG 3.99Å; F167-R192 HydrophobicContact CD2-CB 4.44Å; F167-R192 HydrophobicContact CD2-CG 3.76Å; F167-R192 HydrophobicContact CE1-CG 4.22Å; F167-R192 HydrophobicContact CE2-CB 4.47Å; F167-R192 HydrophobicContact CE2-CG 4Å; F167-R192 HydrophobicContact CG-CG 3.75Å; F167-R192 HydrophobicContact CZ-CG 4.22Å; L188-R192 VanDerWaalsContact CD2-NH2 3.3Å; L188-R192 WeakPolarHBondContact O-CG 3.29Å; L188-R192 PolarHBondContact O-N 2.9Å; T189-R192 PolarHBondContact O-N 2.86Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 3.22Å; R192-D194 PolarHBondContact O-N 2.92Å; R192-W195 PolarHBondContact O-N 3.05Å; R192-E196 PolarHBondContact O-N 3.5Å
193	L	85.1	Confident	85	Confident	41 Å²	41	73.4 Å²	73.4	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-62.6	-41.9	177.6	-74.2	167.3	0	0	0	112	H156 I159 L161 T189 L190 E196 L197	H156-L193 HydrophobicContact CB-CD1 3.9Å; H156-L193 HydrophobicContact CB-CD2 4.32Å; I159-L193 HydrophobicContact CD1-CD2 4.33Å; L161-L193 HydrophobicContact CD2-CD2 3.68Å; L161-L193 HydrophobicContact CD2-CG 4.1Å; T189-L193 WeakPolarHBondContact O-CG 3.28Å; T189-L193 PolarHBondContact O-N 2.88Å; L190-L193 PolarHBondContact O-N 2.91Å; L193-E196 PolarHBondContact O-N 2.9Å; L193-L197 VanDerWaalsContact O-CB 3.29Å; L193-L197 WeakPolarHBondContact O-CB 3.23Å; L193-L197 PolarHBondContact O-N 3.43Å
194	D	86.3	Confident	85.9	Confident	100 Å²	100	69.4 Å²	69.4	54%	0.535	35%	0.346	S	S	.	.	H	α-helix	trans	-65.2	-41.7	177	-78.7	-20	0	0	0	111.5	L190 R192 L197 E198	L190-D194 PolarHBondContact O-N 2.92Å; R192-D194 PolarHBondContact O-N 2.92Å; D194-L197 PolarHBondContact O-N 3.36Å; D194-E198 PolarHBondContact O-N 2.98Å
195	W	85.9	Confident	86.5	Confident	14 Å²	14	72.1 Å²	72.1	5%	0.053	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-46.7	174.5	174.2	-119.5	0	0	0	112.3	F167 D170 A171 P172 I175 A191 R192 L197 E198 Q199	F167-W195 HydrophobicContact CD2-CB 4.05Å; F167-W195 AromaticContact CD2-CD1 3.72Å; F167-W195 HydrophobicContact CD2-CG 4.03Å; F167-W195 HydrophobicContact CE2-CB 3.65Å; F167-W195 HydrophobicContact CE2-CG 4.04Å; D170-W195 HydrophobicContact CB-CZ2 4.09Å; D170-W195 VanDerWaalsContact O-CH2 3.28Å; D170-W195 WeakPolarHBondContact O-CH2 3.28Å; D170-W195 VanDerWaalsContact O-CZ2 3.23Å; D170-W195 WeakPolarHBondContact O-CZ2 3.21Å; A171-W195 HydrophobicContact CB-CD2 3.82Å; A171-W195 HydrophobicContact CB-CE3 4.24Å; A171-W195 HydrophobicContact CB-CG 4.02Å; A171-W195 HydrophobicContact CB-CZ2 4.36Å; P172-W195 HydrophobicContact CG-CH2 4.22Å; P172-W195 HydrophobicContact CG-CZ3 3.79Å; I175-W195 HydrophobicContact CD1-CE3 4.11Å; I175-W195 HydrophobicContact CG2-CB 4.08Å; A191-W195 WeakPolarHBondContact O-CB 2.97Å; A191-W195 PolarHBondContact O-N 3.03Å; R192-W195 PolarHBondContact O-N 3.05Å; W195-L197 VanDerWaalsContact C-N 3.32Å; W195-L197 PolarHBondContact O-N 2.81Å; W195-E198 PolarHBondContact O-N 3.47Å; W195-Q199 HydrophobicContact CD2-CG 3.89Å; W195-Q199 HydrophobicContact CE3-CG 4.28Å; W195-Q199 HydrophobicContact CG-CG 4.4Å; W195-Q199 HydrophobicContact CH2-CG 4.29Å; W195-Q199 HydrophobicContact CZ2-CG 3.85Å; W195-Q199 HydrophobicContact CZ3-CG 4.43Å; W195-Q199 WeakPolarHBondContact O-CB 3.25Å; W195-Q199 VanDerWaalsContact O-CG 3.31Å; W195-Q199 WeakPolarHBondContact O-CG 3.35Å; W195-Q199 PolarHBondContact O-N 3.38Å
196	E	84.4	Confident	87.1	Confident	13 Å²	13	74 Å²	74	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-38.8	176.9	-85.8	-171.2	-143.7	0	0	113	L161 V162 R192 L193 E198 Q199 R200	L161-E196 WeakPolarHBondContact CA-OE1 3.5Å; L161-E196 WeakPolarHBondContact CD2-OE1 3.44Å; V162-E196 HydrophobicContact CG2-CG 3.96Å; V162-E196 PolarHBondContact N-OE1 3.33Å; R192-E196 PolarHBondContact O-N 3.5Å; L193-E196 PolarHBondContact O-N 2.9Å; E196-E198 VanDerWaalsContact C-N 3.31Å; E196-E198 PolarHBondContact O-N 2.95Å; E196-Q199 PolarHBondContact O-N 2.8Å; E196-R200 WeakPolarHBondContact O-CB 3.31Å; E196-R200 VanDerWaalsContact O-CG 3.25Å; E196-R200 WeakPolarHBondContact O-CG 3.4Å; E196-R200 PolarHBondContact O-N 2.96Å; E196-R200 IonicContact OE2-CZ 3.87Å; E196-R200 IonicContact OE2-NE 3.48Å; E196-R200 IonicContact OE2-NH2 2.8Å; E196-R200 PolarHBondContact OE2-NH2 3.2Å
197	L	86.6	Confident	87.7	Confident	88 Å²	88	75.9 Å²	75.9	46%	0.461	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-44.9	175.7	-176.6	157.9	0	0	0	110.2	L193 D194 W195 R200 K201	L193-L197 VanDerWaalsContact O-CB 3.29Å; L193-L197 WeakPolarHBondContact O-CB 3.23Å; L193-L197 PolarHBondContact O-N 3.43Å; D194-L197 PolarHBondContact O-N 3.36Å; W195-L197 VanDerWaalsContact C-N 3.32Å; W195-L197 PolarHBondContact O-N 2.81Å; L197-R200 PolarHBondContact O-N 3.5Å; L197-K201 HydrophobicContact CD2-CD 3.75Å; L197-K201 HydrophobicContact CD2-CG 4.31Å; L197-K201 WeakPolarHBondContact O-CB 3.5Å; L197-K201 WeakPolarHBondContact O-CG 3.38Å; L197-K201 PolarHBondContact O-N 3.24Å
198	E	87.8	Confident	88.2	Confident	63 Å²	63	78.6 Å²	78.6	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-41	177.2	-159.5	-176.3	-178.3	0	0	112	I175 D194 W195 E196 K201 R202	I175-E198 WeakPolarHBondContact CD1-OE2 3.36Å; D194-E198 PolarHBondContact O-N 2.98Å; W195-E198 PolarHBondContact O-N 3.47Å; E196-E198 VanDerWaalsContact C-N 3.31Å; E196-E198 PolarHBondContact O-N 2.95Å; E198-K201 PolarHBondContact O-N 3.45Å; E198-R202 WeakPolarHBondContact O-CG 3.34Å; E198-R202 PolarHBondContact O-N 3.34Å; E198-R202 IonicContact OE1-CZ 3.53Å; E198-R202 IonicContact OE1-NE 2.78Å; E198-R202 IonicContact OE1-NH2 3.74Å; E198-R202 PolarHBondContact OE1-NH2 3.45Å; E198-R202 IonicContact OE2-NH2 2.72Å
199	Q	86.4	Confident	88.8	Confident	60 Å²	60	83.1 Å²	83.1	28%	0.28	39%	0.392	S	S	.	.	H	α-helix	trans	-58.7	-48.8	173.4	-78.2	-63.8	-41.5	0	0	111.6	W195 E196 K201 R202 L203	W195-Q199 HydrophobicContact CD2-CG 3.89Å; W195-Q199 HydrophobicContact CE3-CG 4.28Å; W195-Q199 HydrophobicContact CG-CG 4.4Å; W195-Q199 HydrophobicContact CH2-CG 4.29Å; W195-Q199 HydrophobicContact CZ2-CG 3.85Å; W195-Q199 HydrophobicContact CZ3-CG 4.43Å; W195-Q199 WeakPolarHBondContact O-CB 3.25Å; W195-Q199 VanDerWaalsContact O-CG 3.31Å; W195-Q199 WeakPolarHBondContact O-CG 3.35Å; W195-Q199 PolarHBondContact O-N 3.38Å; E196-Q199 PolarHBondContact O-N 2.8Å; Q199-K201 VanDerWaalsContact C-N 3.32Å; Q199-K201 PolarHBondContact O-N 3.24Å; Q199-R202 PolarHBondContact O-N 2.71Å; Q199-L203 WeakPolarHBondContact O-CB 3.35Å; Q199-L203 VanDerWaalsContact O-CG 3.29Å; Q199-L203 WeakPolarHBondContact O-CG 3.22Å; Q199-L203 PolarHBondContact O-N 2.83Å
200	R	89.1	Confident	89.2	Confident	144 Å²	144	84.2 Å²	84.2	54%	0.543	40%	0.401	S	S	.	.	H	α-helix	trans	-63.3	-37.4	177.6	-71.2	179.5	-162	-164.3	8.4	111.7	E196 L197 A204	E196-R200 WeakPolarHBondContact O-CB 3.31Å; E196-R200 VanDerWaalsContact O-CG 3.25Å; E196-R200 WeakPolarHBondContact O-CG 3.4Å; E196-R200 PolarHBondContact O-N 2.96Å; E196-R200 IonicContact OE2-CZ 3.87Å; E196-R200 IonicContact OE2-NE 3.48Å; E196-R200 IonicContact OE2-NH2 2.8Å; E196-R200 PolarHBondContact OE2-NH2 3.2Å; L197-R200 PolarHBondContact O-N 3.5Å; R200-A204 VanDerWaalsContact O-CB 3.22Å; R200-A204 WeakPolarHBondContact O-CB 3.29Å; R200-A204 PolarHBondContact O-N 3.4Å
201	K	90.6	Very high	89.6	Confident	141 Å²	141	85 Å²	85	61%	0.613	40%	0.403	S	S	*	.	H	α-helix	trans	-62.8	-49.3	172.9	-78.8	-178.8	178.2	174.2	0	112	L197 E198 Q199 L203 A204 E205	L197-K201 HydrophobicContact CD2-CD 3.75Å; L197-K201 HydrophobicContact CD2-CG 4.31Å; L197-K201 WeakPolarHBondContact O-CB 3.5Å; L197-K201 WeakPolarHBondContact O-CG 3.38Å; L197-K201 PolarHBondContact O-N 3.24Å; E198-K201 PolarHBondContact O-N 3.45Å; Q199-K201 VanDerWaalsContact C-N 3.32Å; Q199-K201 PolarHBondContact O-N 3.24Å; K201-L203 VanDerWaalsContact C-N 3.33Å; K201-L203 PolarHBondContact O-N 3.27Å; K201-A204 PolarHBondContact O-N 2.89Å; K201-E205 WeakPolarHBondContact O-CB 3.29Å; K201-E205 PolarHBondContact O-N 3.27Å
202	R	90.3	Very high	90.1	Very high	111 Å²	111	86.7 Å²	86.7	42%	0.419	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-41.7	177.8	-70.8	176.2	-173.8	176.9	2.6	111.7	E198 Q199 K206	E198-R202 WeakPolarHBondContact O-CG 3.34Å; E198-R202 PolarHBondContact O-N 3.34Å; E198-R202 IonicContact OE1-CZ 3.53Å; E198-R202 IonicContact OE1-NE 2.78Å; E198-R202 IonicContact OE1-NH2 3.74Å; E198-R202 PolarHBondContact OE1-NH2 3.45Å; E198-R202 IonicContact OE2-NH2 2.72Å; Q199-R202 PolarHBondContact O-N 2.71Å; R202-K206 VanDerWaalsContact O-CB 3.29Å; R202-K206 WeakPolarHBondContact O-CB 3.49Å; R202-K206 PolarHBondContact O-N 2.87Å
203	L	91	Very high	90.5	Very high	107 Å²	107	88.9 Å²	88.9	56%	0.56	43%	0.43	S	S	*	.	H	α-helix	trans	-66.8	-40.8	176.8	-74.5	168.8	0	0	0	111.9	Q199 K201 K206 Y207	Q199-L203 WeakPolarHBondContact O-CB 3.35Å; Q199-L203 VanDerWaalsContact O-CG 3.29Å; Q199-L203 WeakPolarHBondContact O-CG 3.22Å; Q199-L203 PolarHBondContact O-N 2.83Å; K201-L203 VanDerWaalsContact C-N 3.33Å; K201-L203 PolarHBondContact O-N 3.27Å; L203-K206 PolarHBondContact O-N 3.41Å; L203-Y207 WeakPolarHBondContact O-CB 3.18Å; L203-Y207 PolarHBondContact O-N 2.94Å
204	A	92.9	Very high	91	Very high	55 Å²	55	93.6 Å²	93.6	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-63.6	-44.8	175.9	0	0	0	0	0	111.7	R200 K201 Y207 E208	R200-A204 VanDerWaalsContact O-CB 3.22Å; R200-A204 WeakPolarHBondContact O-CB 3.29Å; R200-A204 PolarHBondContact O-N 3.4Å; K201-A204 PolarHBondContact O-N 2.89Å; A204-Y207 PolarHBondContact O-N 3.16Å; A204-E208 PolarHBondContact O-N 3.42Å
205	E	95.1	Very high	91.4	Very high	123 Å²	123	93.2 Å²	93.2	58%	0.575	44%	0.443	S	S	*	.	H	α-helix	trans	-62.3	-47.9	176	-173.1	171.2	-156.8	0	0	111.1	K201 Y207 E208 E209	K201-E205 WeakPolarHBondContact O-CB 3.29Å; K201-E205 PolarHBondContact O-N 3.27Å; E205-Y207 VanDerWaalsContact C-N 3.27Å; E205-Y207 PolarHBondContact O-N 2.94Å; E205-E208 PolarHBondContact O-N 2.83Å; E205-E209 WeakPolarHBondContact O-CG 3.32Å; E205-E209 PolarHBondContact O-N 3.26Å
206	K	93.9	Very high	91.9	Very high	136 Å²	136	98.9 Å²	98.9	59%	0.591	47%	0.468	S	S	*	.	H	α-helix	trans	-61.9	-34.6	175.7	-170.3	175.7	-176.7	178.9	0	112.7	R202 L203 S210	R202-K206 VanDerWaalsContact O-CB 3.29Å; R202-K206 WeakPolarHBondContact O-CB 3.49Å; R202-K206 PolarHBondContact O-N 2.87Å; L203-K206 PolarHBondContact O-N 3.41Å; K206-S210 VanDerWaalsContact O-CB 3.26Å; K206-S210 WeakPolarHBondContact O-CB 3.31Å; K206-S210 PolarHBondContact O-N 2.88Å; K206-S210 PolarHBondContact O-OG 3.43Å
207	Y	93.3	Very high	92.3	Very high	152 Å²	152	103.1 Å²	103.1	60%	0.596	49%	0.49	S	S	*	.	H	α-helix	trans	-68.7	-45.7	175.6	178.3	-95.6	0	0	0	111.2	L203 A204 E205 E209 S210 Q211	L203-Y207 WeakPolarHBondContact O-CB 3.18Å; L203-Y207 PolarHBondContact O-N 2.94Å; A204-Y207 PolarHBondContact O-N 3.16Å; E205-Y207 VanDerWaalsContact C-N 3.27Å; E205-Y207 PolarHBondContact O-N 2.94Å; Y207-E209 PolarHBondContact O-N 3.28Å; Y207-S210 PolarHBondContact O-N 3.42Å; Y207-Q211 VanDerWaalsContact CZ-OE1 3.24Å; Y207-Q211 VanDerWaalsContact O-CB 3.31Å; Y207-Q211 WeakPolarHBondContact O-CB 3.44Å; Y207-Q211 PolarHBondContact O-N 2.97Å; Y207-Q211 PolarHBondContact OH-OE1 3.48Å; Y207-Q211 VanDerWaalsContact OH-OE1 3.06Å
208	E	94.8	Very high	92.6	Very high	145 Å²	145	103.7 Å²	103.7	68%	0.678	49%	0.491	S	S	*	.	H	α-helix	trans	-60.3	-43.9	173.6	-79.4	-168.8	159.7	0	0	112	A204 E205 S210 Q211 S212	A204-E208 PolarHBondContact O-N 3.42Å; E205-E208 PolarHBondContact O-N 2.83Å; E208-S210 PolarHBondContact O-N 2.69Å; E208-Q211 PolarHBondContact O-N 2.85Å; E208-S212 WeakPolarHBondContact O-CB 3.26Å; E208-S212 PolarHBondContact O-N 3.32Å
209	E	94.8	Very high	93	Very high	117 Å²	117	107 Å²	107	55%	0.547	50%	0.504	S	S	.	.	H	α-helix	trans	-59.5	-47.5	174.2	-74.7	-173.7	163.9	0	0	111.6	E205 Y207 Q211 S212 T213	E205-E209 WeakPolarHBondContact O-CG 3.32Å; E205-E209 PolarHBondContact O-N 3.26Å; Y207-E209 PolarHBondContact O-N 3.28Å; E209-Q211 VanDerWaalsContact C-N 3.32Å; E209-Q211 PolarHBondContact O-N 3.36Å; E209-S212 PolarHBondContact O-N 2.94Å; E209-S212 PolarHBondContact O-OG 2.92Å; E209-T213 WeakPolarHBondContact O-CG2 3.5Å; E209-T213 PolarHBondContact O-N 3.45Å; E209-T213 PolarHBondContact O-OG1 3.27Å
210	S	91.7	Very high	93.4	Very high	62 Å²	62	107.5 Å²	107.5	43%	0.434	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-37	178.1	-62.1	0	0	0	0	112.1	K206 Y207 E208 T213 K214	K206-S210 VanDerWaalsContact O-CB 3.26Å; K206-S210 WeakPolarHBondContact O-CB 3.31Å; K206-S210 PolarHBondContact O-N 2.88Å; K206-S210 PolarHBondContact O-OG 3.43Å; Y207-S210 PolarHBondContact O-N 3.42Å; E208-S210 PolarHBondContact O-N 2.69Å; S210-T213 VanDerWaalsContact CA-OG1 3.32Å; S210-T213 WeakPolarHBondContact CA-OG1 3.44Å; S210-T213 PolarHBondContact O-N 3.06Å; S210-T213 PolarHBondContact O-OG1 2.93Å; S210-K214 WeakPolarHBondContact O-CB 3.41Å; S210-K214 PolarHBondContact O-N 3.49Å
211	Q	93.2	Very high	93.5	Very high	82 Å²	82	104.4 Å²	104.4	38%	0.383	51%	0.505	S	S	.	.	H	α-helix	trans	-69	-41.8	176.2	-171.9	158.7	-16.2	0	0	111	Y207 E208 E209 T213 K214 E215	Y207-Q211 VanDerWaalsContact CZ-OE1 3.24Å; Y207-Q211 VanDerWaalsContact O-CB 3.31Å; Y207-Q211 WeakPolarHBondContact O-CB 3.44Å; Y207-Q211 PolarHBondContact O-N 2.97Å; Y207-Q211 PolarHBondContact OH-OE1 3.48Å; Y207-Q211 VanDerWaalsContact OH-OE1 3.06Å; E208-Q211 PolarHBondContact O-N 2.85Å; E209-Q211 VanDerWaalsContact C-N 3.32Å; E209-Q211 PolarHBondContact O-N 3.36Å; Q211-T213 VanDerWaalsContact C-N 3.34Å; Q211-T213 PolarHBondContact O-N 3.3Å; Q211-K214 WeakPolarHBondContact O-CB 3.26Å; Q211-K214 PolarHBondContact O-N 2.89Å; Q211-E215 WeakPolarHBondContact O-CG 3.41Å; Q211-E215 PolarHBondContact O-N 3.43Å
212	S	94.1	Very high	93.7	Very high	45 Å²	45	103 Å²	103	32%	0.315	50%	0.5	S	S	.	.	H	α-helix	trans	-63	-38.4	175.2	85.1	0	0	0	0	112.4	E208 E209 K216	E208-S212 WeakPolarHBondContact O-CB 3.26Å; E208-S212 PolarHBondContact O-N 3.32Å; E209-S212 PolarHBondContact O-N 2.94Å; E209-S212 PolarHBondContact O-OG 2.92Å; S212-K216 VanDerWaalsContact O-CG 3.25Å; S212-K216 WeakPolarHBondContact O-CG 3.5Å; S212-K216 PolarHBondContact O-N 3.45Å
213	T	94.1	Very high	93.9	Very high	68 Å²	68	102.2 Å²	102.2	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-70.7	-41.5	177	50.8	0	0	0	0	111.3	E209 S210 Q211 E215 K216 I217	E209-T213 WeakPolarHBondContact O-CG2 3.5Å; E209-T213 PolarHBondContact O-N 3.45Å; E209-T213 PolarHBondContact O-OG1 3.27Å; S210-T213 VanDerWaalsContact CA-OG1 3.32Å; S210-T213 WeakPolarHBondContact CA-OG1 3.44Å; S210-T213 PolarHBondContact O-N 3.06Å; S210-T213 PolarHBondContact O-OG1 2.93Å; Q211-T213 VanDerWaalsContact C-N 3.34Å; Q211-T213 PolarHBondContact O-N 3.3Å; T213-E215 PolarHBondContact O-N 2.79Å; T213-K216 PolarHBondContact O-N 2.76Å; T213-I217 WeakPolarHBondContact O-CB 3.49Å; T213-I217 VanDerWaalsContact O-CG1 3.27Å; T213-I217 WeakPolarHBondContact O-CG1 3.48Å; T213-I217 PolarHBondContact O-N 3.49Å
214	K	95.8	Very high	94	Very high	139 Å²	139	103.7 Å²	103.7	60%	0.604	51%	0.51	S	S	*	.	H	α-helix	trans	-55.9	-48.6	171.7	-178.9	-174.9	175.3	-176.3	0	111.4	S210 Q211 K216 I217 Q218	S210-K214 WeakPolarHBondContact O-CB 3.41Å; S210-K214 PolarHBondContact O-N 3.49Å; Q211-K214 WeakPolarHBondContact O-CB 3.26Å; Q211-K214 PolarHBondContact O-N 2.89Å; K214-K216 PolarHBondContact O-N 2.87Å; K214-I217 PolarHBondContact O-N 3.22Å; K214-Q218 WeakPolarHBondContact O-CB 3.46Å; K214-Q218 PolarHBondContact O-N 3.11Å
215	E	94.6	Very high	94	Very high	92 Å²	92	106.7 Å²	106.7	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-40.9	178.5	-74	179.6	-168.8	0	0	112.5	Q211 T213 Q218 K219	Q211-E215 WeakPolarHBondContact O-CG 3.41Å; Q211-E215 PolarHBondContact O-N 3.43Å; T213-E215 PolarHBondContact O-N 2.79Å; E215-Q218 PolarHBondContact O-N 3.21Å; E215-K219 WeakPolarHBondContact O-CB 3.37Å; E215-K219 VanDerWaalsContact O-CG 3.31Å; E215-K219 WeakPolarHBondContact O-CG 3.49Å; E215-K219 PolarHBondContact O-N 3.41Å
216	K	95.7	Very high	93.8	Very high	134 Å²	134	107.4 Å²	107.4	58%	0.583	52%	0.516	S	S	*	.	H	α-helix	trans	-62.1	-44.4	174.6	-74.2	168.2	-175.7	170	0	111.9	S212 T213 K214 T220	S212-K216 VanDerWaalsContact O-CG 3.25Å; S212-K216 WeakPolarHBondContact O-CG 3.5Å; S212-K216 PolarHBondContact O-N 3.45Å; T213-K216 PolarHBondContact O-N 2.76Å; K214-K216 PolarHBondContact O-N 2.87Å; K216-T220 WeakPolarHBondContact O-CB 3.35Å; K216-T220 PolarHBondContact O-N 2.99Å; K216-T220 PolarHBondContact O-OG1 3.36Å
217	I	93.1	Very high	93.6	Very high	101 Å²	101	106.9 Å²	106.9	52%	0.518	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-44.1	178.1	-68.9	166.8	0	0	0	110.1	T213 K214 K219 T220 I221	T213-I217 WeakPolarHBondContact O-CB 3.49Å; T213-I217 VanDerWaalsContact O-CG1 3.27Å; T213-I217 WeakPolarHBondContact O-CG1 3.48Å; T213-I217 PolarHBondContact O-N 3.49Å; K214-I217 PolarHBondContact O-N 3.22Å; I217-K219 PolarHBondContact O-N 3.3Å; I217-T220 CarbonylContact O-C 3.52Å; I217-T220 WeakPolarHBondContact O-CB 3.37Å; I217-T220 PolarHBondContact O-N 3.08Å; I217-T220 VanDerWaalsContact O-N 3.12Å; I217-I221 HydrophobicContact CG2-CD1 3.78Å; I217-I221 HydrophobicContact CG2-CG1 4.33Å; I217-I221 WeakPolarHBondContact O-CG1 3.49Å; I217-I221 PolarHBondContact O-N 3.43Å
218	Q	93.1	Very high	93.4	Very high	100 Å²	100	104.9 Å²	104.9	47%	0.467	51%	0.514	S	S	.	.	H	α-helix	trans	-61.3	-46.8	179.1	-174.6	168.3	-12.5	0	0	111.7	K214 E215 T220 I221 E222	K214-Q218 WeakPolarHBondContact O-CB 3.46Å; K214-Q218 PolarHBondContact O-N 3.11Å; E215-Q218 PolarHBondContact O-N 3.21Å; Q218-T220 VanDerWaalsContact C-N 3.28Å; Q218-T220 PolarHBondContact O-N 2.85Å; Q218-I221 PolarHBondContact O-N 3.47Å; Q218-I221 VanDerWaalsContact O-N 3.16Å; Q218-E222 PolarHBondContact O-N 3.18Å
219	K	94.8	Very high	93	Very high	133 Å²	133	107.1 Å²	107.1	58%	0.578	52%	0.516	S	S	*	.	H	α-helix	trans	-58.7	-40.7	173.1	-72.3	172.3	-177.1	171.3	0	111.7	E215 I217 I221 E222 V223	E215-K219 WeakPolarHBondContact O-CB 3.37Å; E215-K219 VanDerWaalsContact O-CG 3.31Å; E215-K219 WeakPolarHBondContact O-CG 3.49Å; E215-K219 PolarHBondContact O-N 3.41Å; I217-K219 PolarHBondContact O-N 3.3Å; K219-I221 PolarHBondContact O-N 2.95Å; K219-E222 PolarHBondContact O-N 2.94Å; K219-V223 WeakPolarHBondContact O-CG2 3.46Å; K219-V223 PolarHBondContact O-N 3.33Å
220	T	94.8	Very high	92.8	Very high	71 Å²	71	105.2 Å²	105.2	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-40.4	176.6	-55	0	0	0	0	111.9	K216 I217 Q218 K224	K216-T220 WeakPolarHBondContact O-CB 3.35Å; K216-T220 PolarHBondContact O-N 2.99Å; K216-T220 PolarHBondContact O-OG1 3.36Å; I217-T220 CarbonylContact O-C 3.52Å; I217-T220 WeakPolarHBondContact O-CB 3.37Å; I217-T220 PolarHBondContact O-N 3.08Å; I217-T220 VanDerWaalsContact O-N 3.12Å; Q218-T220 VanDerWaalsContact C-N 3.28Å; Q218-T220 PolarHBondContact O-N 2.85Å; T220-K224 HydrophobicContact CG2-CD 4.33Å; T220-K224 WeakPolarHBondContact O-CB 3.39Å; T220-K224 WeakPolarHBondContact O-CG 3.24Å; T220-K224 PolarHBondContact O-N 3.17Å
221	I	92.6	Very high	92.6	Very high	79 Å²	79	106 Å²	106	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-65.6	-42.8	176.2	-69.4	168	0	0	0	110.4	I217 Q218 K219 K224 K225	I217-I221 HydrophobicContact CG2-CD1 3.78Å; I217-I221 HydrophobicContact CG2-CG1 4.33Å; I217-I221 WeakPolarHBondContact O-CG1 3.49Å; I217-I221 PolarHBondContact O-N 3.43Å; Q218-I221 PolarHBondContact O-N 3.47Å; Q218-I221 VanDerWaalsContact O-N 3.16Å; K219-I221 PolarHBondContact O-N 2.95Å; I221-K224 PolarHBondContact O-N 3.42Å; I221-K225 HydrophobicContact CG2-CD 4.06Å; I221-K225 HydrophobicContact CG2-CG 4.31Å; I221-K225 WeakPolarHBondContact O-CB 3.3Å; I221-K225 WeakPolarHBondContact O-CG 3.27Å; I221-K225 PolarHBondContact O-N 2.78Å
222	E	93.9	Very high	92.2	Very high	110 Å²	110	107.9 Å²	107.9	51%	0.514	52%	0.524	S	S	.	.	H	α-helix	trans	-60.6	-48.9	176.7	-78.3	172	-172.1	0	0	111.4	Q218 K219 K224 K225 E226	Q218-E222 PolarHBondContact O-N 3.18Å; K219-E222 PolarHBondContact O-N 2.94Å; E222-K224 VanDerWaalsContact C-N 3.35Å; E222-K224 PolarHBondContact O-N 3.44Å; E222-K225 PolarHBondContact O-N 3.28Å; E222-E226 WeakPolarHBondContact O-CB 3.25Å; E222-E226 PolarHBondContact O-N 3.16Å
223	V	95.3	Very high	91.9	Very high	96 Å²	96	109.6 Å²	109.6	58%	0.582	53%	0.534	S	S	*	.	H	α-helix	trans	-59.4	-44.1	175.9	172.5	0	0	0	0	111.5	K219 E226 H227	K219-V223 WeakPolarHBondContact O-CG2 3.46Å; K219-V223 PolarHBondContact O-N 3.33Å; V223-E226 PolarHBondContact O-N 3.48Å; V223-H227 WeakPolarHBondContact O-CB 3.47Å; V223-H227 PolarHBondContact O-N 3.33Å
224	K	93.6	Very high	91.5	Very high	137 Å²	137	108 Å²	108	60%	0.596	53%	0.531	S	S	*	.	H	α-helix	trans	-65.1	-40	176.8	-75.8	-179.4	178.6	-176.4	0	112.2	T220 I221 E222 H227 L228	T220-K224 HydrophobicContact CG2-CD 4.33Å; T220-K224 WeakPolarHBondContact O-CB 3.39Å; T220-K224 WeakPolarHBondContact O-CG 3.24Å; T220-K224 PolarHBondContact O-N 3.17Å; I221-K224 PolarHBondContact O-N 3.42Å; E222-K224 VanDerWaalsContact C-N 3.35Å; E222-K224 PolarHBondContact O-N 3.44Å; K224-H227 PolarHBondContact O-N 2.93Å; K224-L228 WeakPolarHBondContact O-CB 3.43Å; K224-L228 VanDerWaalsContact O-CG 3.31Å; K224-L228 WeakPolarHBondContact O-CG 3.31Å; K224-L228 PolarHBondContact O-N 3.29Å
225	K	91.4	Very high	90.8	Very high	119 Å²	119	106 Å²	106	52%	0.517	53%	0.526	S	S	.	.	H	α-helix	trans	-64.3	-42	175.7	-80.6	-179.2	178.2	179.1	0	111.3	I221 E222 L228 R229	I221-K225 HydrophobicContact CG2-CD 4.06Å; I221-K225 HydrophobicContact CG2-CG 4.31Å; I221-K225 WeakPolarHBondContact O-CB 3.3Å; I221-K225 WeakPolarHBondContact O-CG 3.27Å; I221-K225 PolarHBondContact O-N 2.78Å; E222-K225 PolarHBondContact O-N 3.28Å; K225-L228 PolarHBondContact O-N 3.25Å; K225-R229 WeakPolarHBondContact O-CB 3.34Å; K225-R229 VanDerWaalsContact O-CG 3.27Å; K225-R229 WeakPolarHBondContact O-CG 3.39Å; K225-R229 PolarHBondContact O-N 3.43Å
226	E	92.4	Very high	90.2	Very high	138 Å²	138	105 Å²	105	65%	0.645	52%	0.524	S	S	*	.	H	α-helix	trans	-65.7	-41.3	176.6	-167.9	169.4	-164.8	0	0	111.4	E222 V223 L228 R229 S230	E222-E226 WeakPolarHBondContact O-CB 3.25Å; E222-E226 PolarHBondContact O-N 3.16Å; V223-E226 PolarHBondContact O-N 3.48Å; E226-L228 PolarHBondContact O-N 3.34Å; E226-R229 PolarHBondContact O-N 3.25Å; E226-S230 WeakPolarHBondContact O-CB 3.47Å; E226-S230 PolarHBondContact O-N 2.85Å; E226-S230 PolarHBondContact O-OG 3.01Å
227	H	89.6	Confident	89.8	Confident	124 Å²	124	101.5 Å²	101.5	57%	0.574	52%	0.52	S	S	*	.	H	α-helix	trans	-61.9	-41.4	173.2	-165.1	102.5	0	0	0	112.5	V223 K224 S230 L231	V223-H227 WeakPolarHBondContact O-CB 3.47Å; V223-H227 PolarHBondContact O-N 3.33Å; K224-H227 PolarHBondContact O-N 2.93Å; H227-S230 WeakPolarHBondContact CA-OG 3.12Å; H227-S230 PolarHBondContact O-N 2.94Å; H227-S230 PolarHBondContact O-OG 2.89Å; H227-L231 VanDerWaalsContact O-CB 3.28Å; H227-L231 WeakPolarHBondContact O-CB 3.31Å; H227-L231 PolarHBondContact O-N 2.98Å
228	L	88.8	Confident	89.3	Confident	110 Å²	110	102.1 Å²	102.1	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-66.3	-41.2	174.7	-73.4	168.5	0	0	0	111.6	K224 K225 E226 S230 L231 Q232	K224-L228 WeakPolarHBondContact O-CB 3.43Å; K224-L228 VanDerWaalsContact O-CG 3.31Å; K224-L228 WeakPolarHBondContact O-CG 3.31Å; K224-L228 PolarHBondContact O-N 3.29Å; K225-L228 PolarHBondContact O-N 3.25Å; E226-L228 PolarHBondContact O-N 3.34Å; L228-S230 VanDerWaalsContact C-N 3.31Å; L228-S230 PolarHBondContact O-N 3.11Å; L228-L231 PolarHBondContact O-N 2.79Å; L228-Q232 PolarHBondContact O-N 2.93Å
229	R	86.9	Confident	88.5	Confident	192 Å²	192	100.5 Å²	100.5	73%	0.725	52%	0.516	S	S	*	.	H	α-helix	trans	-64.4	-34.1	175.8	-76.3	174.5	179.4	174	-1.2	112.4	K225 E226 P233	K225-R229 WeakPolarHBondContact O-CB 3.34Å; K225-R229 VanDerWaalsContact O-CG 3.27Å; K225-R229 WeakPolarHBondContact O-CG 3.39Å; K225-R229 PolarHBondContact O-N 3.43Å; E226-R229 PolarHBondContact O-N 3.25Å; R229-P233 WeakPolarHBondContact O-CD 3.17Å
230	S	88.8	Confident	87.8	Confident	78 Å²	78	99.5 Å²	99.5	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-79.1	-28.7	175.7	68	0	0	0	0	112.9	E226 H227 L228 P233	E226-S230 WeakPolarHBondContact O-CB 3.47Å; E226-S230 PolarHBondContact O-N 2.85Å; E226-S230 PolarHBondContact O-OG 3.01Å; H227-S230 WeakPolarHBondContact CA-OG 3.12Å; H227-S230 PolarHBondContact O-N 2.94Å; H227-S230 PolarHBondContact O-OG 2.89Å; L228-S230 VanDerWaalsContact C-N 3.31Å; L228-S230 PolarHBondContact O-N 3.11Å; S230-P233 WeakPolarHBondContact O-CD 3.26Å
231	L	88.4	Confident	87.2	Confident	79 Å²	79	99.5 Å²	99.5	41%	0.414	52%	0.521	S	S	.	.	H	α-helix	trans	-72	-36.6	175.7	-174	65.8	0	0	0	112.7	H227 L228 G234 L235	H227-L231 VanDerWaalsContact O-CB 3.28Å; H227-L231 WeakPolarHBondContact O-CB 3.31Å; H227-L231 PolarHBondContact O-N 2.98Å; L228-L231 PolarHBondContact O-N 2.79Å; L231-G234 WeakPolarHBondContact O-CA 3.37Å; L231-G234 PolarHBondContact O-N 3.14Å; L231-L235 HydrophobicContact CD1-CG 4.38Å; L231-L235 HydrophobicContact CD2-CD1 4.1Å; L231-L235 HydrophobicContact CG-CD1 3.86Å; L231-L235 HydrophobicContact CG-CG 4.07Å; L231-L235 PolarHBondContact O-N 2.91Å
232	Q	85.3	Confident	86.6	Confident	120 Å²	120	97.4 Å²	97.4	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-56.2	-47.6	-176.9	-176.1	107.4	31.9	0	0	113.6	L228 G234 L235 N236	L228-Q232 PolarHBondContact O-N 2.93Å; Q232-G234 VanDerWaalsContact C-N 3.31Å; Q232-G234 PolarHBondContact O-N 3.27Å; Q232-L235 PolarHBondContact O-N 2.86Å; Q232-N236 WeakPolarHBondContact O-CB 3.33Å; Q232-N236 VanDerWaalsContact O-CG 3.29Å; Q232-N236 PolarHBondContact O-N 3.36Å
233	P	87.7	Confident	85.8	Confident	82 Å²	82	94.2 Å²	94.2	53%	0.532	50%	0.499	S	S	.	.	H	α-helix	trans	-58.7	-39.4	172.1	-23.4	30.8	0	0	0	113.4	R229 S230 N236 A237	R229-P233 WeakPolarHBondContact O-CD 3.17Å; S230-P233 WeakPolarHBondContact O-CD 3.26Å; P233-N236 PolarHBondContact O-N 3.31Å; P233-A237 WeakPolarHBondContact O-CB 3.5Å; P233-A237 PolarHBondContact O-N 3.5Å
234	G	84.5	Confident	85	Confident	33 Å²	33	93.7 Å²	93.7	34%	0.34	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-45.2	178.3	0	0	0	0	0	112.4	L231 Q232 A237 I238	L231-G234 WeakPolarHBondContact O-CA 3.37Å; L231-G234 PolarHBondContact O-N 3.14Å; Q232-G234 VanDerWaalsContact C-N 3.31Å; Q232-G234 PolarHBondContact O-N 3.27Å; G234-A237 PolarHBondContact O-N 3.42Å; G234-I238 VanDerWaalsContact O-CG1 3.32Å; G234-I238 WeakPolarHBondContact O-CG1 3.45Å; G234-I238 PolarHBondContact O-N 2.95Å
235	L	82.7	Confident	84.3	Confident	97 Å²	97	91.2 Å²	91.2	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-63	-42.3	174.1	-70.8	172	0	0	0	111.7	L231 Q232 A237 I238 M239	L231-L235 HydrophobicContact CD1-CG 4.38Å; L231-L235 HydrophobicContact CD2-CD1 4.1Å; L231-L235 HydrophobicContact CG-CD1 3.86Å; L231-L235 HydrophobicContact CG-CG 4.07Å; L231-L235 PolarHBondContact O-N 2.91Å; Q232-L235 PolarHBondContact O-N 2.86Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 2.83Å; L235-I238 PolarHBondContact O-N 2.86Å; L235-M239 WeakPolarHBondContact O-CB 3.44Å; L235-M239 PolarHBondContact O-N 3.44Å
236	N	81.9	Confident	83.4	Confident	71 Å²	71	87 Å²	87	38%	0.38	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-39.8	175.7	-74.7	-14.5	0	0	0	112	Q232 P233 M239 Q240	Q232-N236 WeakPolarHBondContact O-CB 3.33Å; Q232-N236 VanDerWaalsContact O-CG 3.29Å; Q232-N236 PolarHBondContact O-N 3.36Å; P233-N236 PolarHBondContact O-N 3.31Å; N236-M239 WeakPolarHBondContact O-CB 3.39Å; N236-M239 PolarHBondContact O-N 3.03Å; N236-Q240 WeakPolarHBondContact O-CG 3.49Å; N236-Q240 PolarHBondContact O-N 3.31Å
237	A	85.6	Confident	82.4	Confident	61 Å²	61	84.6 Å²	84.6	50%	0.504	47%	0.468	S	S	.	.	H	α-helix	trans	-64.5	-41.7	176.1	0	0	0	0	0	111.7	P233 G234 L235 Q240 A241	P233-A237 WeakPolarHBondContact O-CB 3.5Å; P233-A237 PolarHBondContact O-N 3.5Å; G234-A237 PolarHBondContact O-N 3.42Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 2.83Å; A237-Q240 PolarHBondContact O-N 3.24Å; A237-A241 VanDerWaalsContact O-CB 3.23Å; A237-A241 WeakPolarHBondContact O-CB 2.97Å; A237-A241 PolarHBondContact O-N 3.32Å
238	I	84	Confident	81.7	Confident	115 Å²	115	88.3 Å²	88.3	59%	0.59	48%	0.478	S	S	*	.	H	α-helix	trans	-62.6	-44.5	173.8	-67.2	165.5	0	0	0	110.6	G234 L235 A241 S242	G234-I238 VanDerWaalsContact O-CG1 3.32Å; G234-I238 WeakPolarHBondContact O-CG1 3.45Å; G234-I238 PolarHBondContact O-N 2.95Å; L235-I238 PolarHBondContact O-N 2.86Å; I238-A241 PolarHBondContact O-N 3.01Å; I238-S242 WeakPolarHBondContact O-CB 3.49Å; I238-S242 PolarHBondContact O-N 2.79Å
239	M	75.8	Confident	81	Confident	65 Å²	65	87.9 Å²	87.9	32%	0.32	48%	0.476	S	S	.	.	H	α-helix	trans	-58.2	-51.2	177.6	-171.8	173.9	70.9	0	0	110.9	L235 N236 A241 S242 L243 E254	L235-M239 WeakPolarHBondContact O-CB 3.44Å; L235-M239 PolarHBondContact O-N 3.44Å; N236-M239 WeakPolarHBondContact O-CB 3.39Å; N236-M239 PolarHBondContact O-N 3.03Å; M239-A241 PolarHBondContact O-N 2.89Å; M239-S242 PolarHBondContact O-N 3.27Å; M239-S242 VanDerWaalsContact O-N 3.13Å; M239-S242 PolarHBondContact O-OG 3.13Å; M239-L243 PolarHBondContact O-N 3.46Å; M239-E254 VanDerWaalsContact CG-OE2 3.26Å; M239-E254 WeakPolarHBondContact CG-OE2 3.43Å; M239-E254 VanDerWaalsContact SD-OE1 3.37Å
240	Q	79.1	Confident	80	Confident	113 Å²	113	83.6 Å²	83.6	53%	0.528	48%	0.476	S	S	.	.	H	α-helix	trans	-62.6	-40.7	177.2	-67.7	-60.1	-42.5	0	0	112.8	N236 A237 S242 L243	N236-Q240 WeakPolarHBondContact O-CG 3.49Å; N236-Q240 PolarHBondContact O-N 3.31Å; A237-Q240 PolarHBondContact O-N 3.24Å; Q240-S242 PolarHBondContact O-N 3.26Å; Q240-L243 PolarHBondContact O-N 3.18Å
241	A	83.8	Confident	78.9	Confident	70 Å²	70	84 Å²	84	58%	0.579	47%	0.47	S	S	*	.	H	α-helix	trans	-67.9	-23.7	176.6	0	0	0	0	0	113.1	A237 I238 M239 P244	A237-A241 VanDerWaalsContact O-CB 3.23Å; A237-A241 WeakPolarHBondContact O-CB 2.97Å; A237-A241 PolarHBondContact O-N 3.32Å; I238-A241 PolarHBondContact O-N 3.01Å; M239-A241 PolarHBondContact O-N 2.89Å; A241-P244 WeakPolarHBondContact O-CD 3.34Å
242	S	80.2	Confident	77.7	Confident	36 Å²	36	82.8 Å²	82.8	25%	0.252	47%	0.467	S	S	.	.	H	α-helix	trans	-82.5	-20.8	178.6	78	0	0	0	0	113.7	I238 M239 Q240 V245 Q246	I238-S242 WeakPolarHBondContact O-CB 3.49Å; I238-S242 PolarHBondContact O-N 2.79Å; M239-S242 PolarHBondContact O-N 3.27Å; M239-S242 VanDerWaalsContact O-N 3.13Å; M239-S242 PolarHBondContact O-OG 3.13Å; Q240-S242 PolarHBondContact O-N 3.26Å; S242-V245 PolarHBondContact O-N 3.1Å; S242-Q246 WeakPolarHBondContact O-CG 3.33Å; S242-Q246 PolarHBondContact O-N 3.37Å; S242-Q246 PolarHBondContact OG-NE2 3.23Å
243	L	76.4	Confident	76.8	Confident	42 Å²	42	83.3 Å²	83.3	22%	0.22	47%	0.467	C	S	.	.	H	α-helix	trans	-56.4	-46.2	-178.9	-71.9	169.7	0	0	0	113.7	M239 Q240 V245 Q246 D247 E254	M239-L243 PolarHBondContact O-N 3.46Å; Q240-L243 PolarHBondContact O-N 3.18Å; L243-V245 VanDerWaalsContact C-N 3.3Å; L243-V245 PolarHBondContact O-N 3.3Å; L243-Q246 PolarHBondContact O-N 3.17Å; L243-D247 PolarHBondContact O-N 3.43Å; L243-E254 WeakPolarHBondContact CD2-OE2 3.36Å
244	P	78.3	Confident	75.7	Confident	86 Å²	86	80.3 Å²	80.3	56%	0.558	45%	0.446	S	S	*	.	H	α-helix	trans	-64.6	-34.5	178.6	-19.4	32.3	0	0	0	112.8	A241 Y248	A241-P244 WeakPolarHBondContact O-CD 3.34Å; P244-Y248 WeakPolarHBondContact O-CB 3.42Å; P244-Y248 PolarHBondContact O-N 3.12Å
245	V	79.9	Confident	74.7	Confident	84 Å²	84	84.2 Å²	84.2	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-72.4	-39.8	177.5	178.6	0	0	0	0	110.7	S242 L243 Y248 L249	S242-V245 PolarHBondContact O-N 3.1Å; L243-V245 VanDerWaalsContact C-N 3.3Å; L243-V245 PolarHBondContact O-N 3.3Å; V245-Y248 PolarHBondContact O-N 3.49Å; V245-L249 HydrophobicContact CG1-CD1 3.85Å; V245-L249 HydrophobicContact CG1-CG 4.44Å; V245-L249 WeakPolarHBondContact O-CB 3.32Å; V245-L249 WeakPolarHBondContact O-CG 3.45Å; V245-L249 PolarHBondContact O-N 2.97Å
246	Q	72.1	Confident	73.9	Confident	31 Å²	31	82.5 Å²	82.5	15%	0.145	45%	0.448	C	S	.	.	H	α-helix	trans	-61.1	-44.8	173	-74.6	-179	51.8	0	0	111.6	S242 L243 L249 S250 M251	S242-Q246 WeakPolarHBondContact O-CG 3.33Å; S242-Q246 PolarHBondContact O-N 3.37Å; S242-Q246 PolarHBondContact OG-NE2 3.23Å; L243-Q246 PolarHBondContact O-N 3.17Å; Q246-L249 PolarHBondContact O-N 2.77Å; Q246-S250 PolarHBondContact O-N 2.99Å; Q246-M251 WeakPolarHBondContact CB-O 3.44Å; Q246-M251 PolarHBondContact O-N 2.74Å
247	D	70.9	Confident	73.3	Confident	88 Å²	88	85.1 Å²	85.1	47%	0.471	46%	0.457	S	S	.	.	H	α-helix	trans	-66.3	-38.7	177.2	-73.8	-24.4	0	0	0	110.9	L243 S250 K255	L243-D247 PolarHBondContact O-N 3.43Å; D247-S250 PolarHBondContact O-N 3.41Å; D247-K255 IonicContact OD1-NZ 3.59Å; D247-K255 PolarHBondContact OD1-NZ 2.85Å; D247-K255 VanDerWaalsContact OD1-NZ 3.15Å
248	Y	75.3	Confident	72.6	Confident	202 Å²	202	87.4 Å²	87.4	79%	0.792	46%	0.456	S	S	*	.	H	α-helix	trans	-66.7	-41.5	176.3	-171.9	-98.8	0	0	0	113.2	P244 V245 S250	P244-Y248 WeakPolarHBondContact O-CB 3.42Å; P244-Y248 PolarHBondContact O-N 3.12Å; V245-Y248 PolarHBondContact O-N 3.49Å; Y248-S250 PolarHBondContact O-N 3.39Å
249	L	74.6	Confident	72	Confident	100 Å²	100	84.6 Å²	84.6	52%	0.524	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	0.6	177.3	-66.9	173.1	0	0	0	113	V245 Q246 M251	V245-L249 HydrophobicContact CG1-CD1 3.85Å; V245-L249 HydrophobicContact CG1-CG 4.44Å; V245-L249 WeakPolarHBondContact O-CB 3.32Å; V245-L249 WeakPolarHBondContact O-CG 3.45Å; V245-L249 PolarHBondContact O-N 2.97Å; Q246-L249 PolarHBondContact O-N 2.77Å; L249-M251 HydrophobicContact CB-CE 4.33Å; L249-M251 HydrophobicContact CB-CG 4.42Å; L249-M251 HydrophobicContact CD1-CE 4.29Å; L249-M251 WeakPolarHBondContact O-CG 3.31Å; L249-M251 PolarHBondContact O-N 3.4Å
250	S	64.1	Low	71.9	Confident	103 Å²	103	84 Å²	84	72%	0.72	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.7	-175.5	-57.8	0	0	0	0	113.2	Q246 D247 Y248 P252	Q246-S250 PolarHBondContact O-N 2.99Å; D247-S250 PolarHBondContact O-N 3.41Å; Y248-S250 PolarHBondContact O-N 3.39Å; S250-P252 WeakPolarHBondContact O-CD 3.46Å
251	M	65.8	Low	71.8	Confident	87 Å²	87	83.8 Å²	83.8	43%	0.429	45%	0.445	S	S	.	.			trans	-120.7	78.6	179.5	-66.9	-155.2	-66	0	0	111.1	Q246 L249 F253	Q246-M251 WeakPolarHBondContact CB-O 3.44Å; Q246-M251 PolarHBondContact O-N 2.74Å; L249-M251 HydrophobicContact CB-CE 4.33Å; L249-M251 HydrophobicContact CB-CG 4.42Å; L249-M251 HydrophobicContact CD1-CE 4.29Å; L249-M251 WeakPolarHBondContact O-CG 3.31Å; L249-M251 PolarHBondContact O-N 3.4Å; M251-F253 VanDerWaalsContact C-N 3.27Å; M251-F253 HydrophobicContact CB-CD2 4.03Å; M251-F253 HydrophobicContact CB-CE2 3.61Å; M251-F253 HydrophobicContact CB-CZ 4.27Å; M251-F253 HydrophobicContact CE-CE2 3.96Å; M251-F253 HydrophobicContact CG-CE2 4.29Å; M251-F253 WeakPolarHBondContact O-CD2 3.44Å; M251-F253 PolarHBondContact O-N 3.33Å; M251-F253 HydrophobicContact SD-CE2 3.79Å; M251-F253 HydrophobicContact SD-CZ 3.86Å
252	P	64.1	Low	71.5	Confident	52 Å²	52	82.8 Å²	82.8	34%	0.338	43%	0.429	S	S	.	.			trans	-84	66.4	-175	35.8	-35.9	0	0	0	111.3	S250 E254 K255 T256	S250-P252 WeakPolarHBondContact O-CD 3.46Å; P252-E254 VanDerWaalsContact C-N 3.29Å; P252-E254 PolarHBondContact O-N 2.99Å; P252-K255 HydrophobicContact CB-CB 4.25Å; P252-K255 HydrophobicContact CB-CD 4.14Å; P252-K255 PolarHBondContact O-N 3.26Å; P252-T256 WeakPolarHBondContact O-CB 3.44Å; P252-T256 PolarHBondContact O-N 3.07Å; P252-T256 VanDerWaalsContact O-N 3.1Å; P252-T256 PolarHBondContact O-OG1 2.91Å
253	F	65.9	Low	71.5	Confident	132 Å²	132	81.1 Å²	81.1	58%	0.579	42%	0.418	S	S	*	.	H	α-helix	trans	-58.9	-40.7	-179.6	-69.7	-71.9	0	0	0	112	M251 T256 Q257	M251-F253 VanDerWaalsContact C-N 3.27Å; M251-F253 HydrophobicContact CB-CD2 4.03Å; M251-F253 HydrophobicContact CB-CE2 3.61Å; M251-F253 HydrophobicContact CB-CZ 4.27Å; M251-F253 HydrophobicContact CE-CE2 3.96Å; M251-F253 HydrophobicContact CG-CE2 4.29Å; M251-F253 WeakPolarHBondContact O-CD2 3.44Å; M251-F253 PolarHBondContact O-N 3.33Å; M251-F253 HydrophobicContact SD-CE2 3.79Å; M251-F253 HydrophobicContact SD-CZ 3.86Å; F253-T256 PolarHBondContact O-N 2.98Å; F253-Q257 WeakPolarHBondContact O-CB 3.39Å; F253-Q257 PolarHBondContact O-N 3.43Å
254	E	64	Low	71.7	Confident	19 Å²	19	89.1 Å²	89.1	9%	0.089	45%	0.445	C	S	.	.	H	α-helix	trans	-71.8	-40	-175.9	-161.9	-178.1	154.4	0	0	112.8	M239 L243 P252 T256 Q257 K258	M239-E254 VanDerWaalsContact CG-OE2 3.26Å; M239-E254 WeakPolarHBondContact CG-OE2 3.43Å; M239-E254 VanDerWaalsContact SD-OE1 3.37Å; L243-E254 WeakPolarHBondContact CD2-OE2 3.36Å; P252-E254 VanDerWaalsContact C-N 3.29Å; P252-E254 PolarHBondContact O-N 2.99Å; E254-T256 VanDerWaalsContact C-N 3.33Å; E254-Q257 PolarHBondContact O-N 3.2Å; E254-K258 WeakPolarHBondContact O-CB 3.49Å; E254-K258 WeakPolarHBondContact O-CG 3.42Å; E254-K258 PolarHBondContact O-N 3.41Å; E254-K258 WeakPolarHBondContact OE1-CE 3.49Å; E254-K258 IonicContact OE1-NZ 3.46Å; E254-K258 PolarHBondContact OE1-NZ 2.94Å
255	K	64.5	Low	71.9	Confident	114 Å²	114	87 Å²	87	50%	0.496	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-41.2	174.7	-65.9	171.6	-178.3	156.3	0	110.3	D247 P252 Q259	D247-K255 IonicContact OD1-NZ 3.59Å; D247-K255 PolarHBondContact OD1-NZ 2.85Å; D247-K255 VanDerWaalsContact OD1-NZ 3.15Å; P252-K255 HydrophobicContact CB-CB 4.25Å; P252-K255 HydrophobicContact CB-CD 4.14Å; P252-K255 PolarHBondContact O-N 3.26Å; K255-Q259 WeakPolarHBondContact O-CB 3.43Å; K255-Q259 VanDerWaalsContact O-CG 3.27Å; K255-Q259 WeakPolarHBondContact O-CG 3.36Å; K255-Q259 PolarHBondContact O-N 3.37Å
256	T	66.6	Low	72.1	Confident	62 Å²	62	83.7 Å²	83.7	38%	0.38	41%	0.407	S	S	.	.	H	α-helix	trans	-66.2	-41.2	178	-50.3	0	0	0	0	111.7	P252 F253 E254 Q259 A260	P252-T256 WeakPolarHBondContact O-CB 3.44Å; P252-T256 PolarHBondContact O-N 3.07Å; P252-T256 VanDerWaalsContact O-N 3.1Å; P252-T256 PolarHBondContact O-OG1 2.91Å; F253-T256 PolarHBondContact O-N 2.98Å; E254-T256 VanDerWaalsContact C-N 3.33Å; T256-Q259 PolarHBondContact O-N 3.34Å; T256-A260 WeakPolarHBondContact O-CB 3.46Å; T256-A260 PolarHBondContact O-N 2.94Å
257	Q	68.5	Low	72.8	Confident	125 Å²	125	82.8 Å²	82.8	58%	0.584	40%	0.404	S	S	*	.	H	α-helix	trans	-68.8	-44.1	178.8	-168.6	176.1	6.9	0	0	112	F253 E254 Q259 A260 E261	F253-Q257 WeakPolarHBondContact O-CB 3.39Å; F253-Q257 PolarHBondContact O-N 3.43Å; E254-Q257 PolarHBondContact O-N 3.2Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 3.14Å; Q257-A260 WeakPolarHBondContact O-CB 3.43Å; Q257-A260 PolarHBondContact O-N 3.39Å; Q257-A260 VanDerWaalsContact O-N 3.13Å; Q257-E261 PolarHBondContact O-N 2.94Å
258	K	70.8	Confident	73.5	Confident	110 Å²	110	83.3 Å²	83.3	48%	0.478	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-42.6	174.2	-73.4	176.3	-175	167.4	0	111.7	E254 A260 E261 I262	E254-K258 WeakPolarHBondContact O-CB 3.49Å; E254-K258 WeakPolarHBondContact O-CG 3.42Å; E254-K258 PolarHBondContact O-N 3.41Å; E254-K258 WeakPolarHBondContact OE1-CE 3.49Å; E254-K258 IonicContact OE1-NZ 3.46Å; E254-K258 PolarHBondContact OE1-NZ 2.94Å; K258-A260 VanDerWaalsContact C-N 3.32Å; K258-A260 PolarHBondContact O-N 3.46Å; K258-E261 PolarHBondContact O-N 2.9Å; K258-I262 VanDerWaalsContact O-CG1 3.27Å; K258-I262 WeakPolarHBondContact O-CG1 3.27Å; K258-I262 PolarHBondContact O-N 2.82Å
259	Q	70.7	Confident	74	Confident	56 Å²	56	74 Å²	74	26%	0.262	38%	0.376	S	S	.	.	H	α-helix	trans	-64	-36.8	174.2	-74.8	-178.2	-8.3	0	0	112.2	K255 T256 Q257 I262 A263 F274 V290	K255-Q259 WeakPolarHBondContact O-CB 3.43Å; K255-Q259 VanDerWaalsContact O-CG 3.27Å; K255-Q259 WeakPolarHBondContact O-CG 3.36Å; K255-Q259 PolarHBondContact O-N 3.37Å; T256-Q259 PolarHBondContact O-N 3.34Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 3.14Å; Q259-I262 PolarHBondContact O-N 3.15Å; Q259-A263 WeakPolarHBondContact O-CB 3.43Å; Q259-A263 PolarHBondContact O-N 3.29Å; Q259-F274 HydrophobicContact CB-CZ 4.16Å; Q259-V290 PolarHBondContact NE2-O 3.47Å
260	A	73.8	Confident	74.7	Confident	52 Å²	52	69.2 Å²	69.2	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-68.5	-37	175.8	0	0	0	0	0	113	T256 Q257 K258 A263 R264	T256-A260 WeakPolarHBondContact O-CB 3.46Å; T256-A260 PolarHBondContact O-N 2.94Å; Q257-A260 WeakPolarHBondContact O-CB 3.43Å; Q257-A260 PolarHBondContact O-N 3.39Å; Q257-A260 VanDerWaalsContact O-N 3.13Å; K258-A260 VanDerWaalsContact C-N 3.32Å; K258-A260 PolarHBondContact O-N 3.46Å; A260-A263 PolarHBondContact O-N 3.36Å; A260-R264 PolarHBondContact O-N 2.82Å
261	E	76.7	Confident	75.8	Confident	108 Å²	108	69.6 Å²	69.6	51%	0.505	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-45.6	173.5	-74.6	178.5	-175.8	0	0	111.6	Q257 K258 A263 R264	Q257-E261 PolarHBondContact O-N 2.94Å; K258-E261 PolarHBondContact O-N 2.9Å; E261-A263 VanDerWaalsContact C-N 3.3Å; E261-A263 PolarHBondContact O-N 3.45Å; E261-R264 WeakPolarHBondContact O-CB 3.45Å; E261-R264 PolarHBondContact O-N 3.16Å
262	I	78.3	Confident	76.8	Confident	49 Å²	49	67 Å²	67	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-37.4	175.4	-62.2	165.3	0	0	0	110.5	K258 Q259 R264 H265 I292 V296	K258-I262 VanDerWaalsContact O-CG1 3.27Å; K258-I262 WeakPolarHBondContact O-CG1 3.27Å; K258-I262 PolarHBondContact O-N 2.82Å; Q259-I262 PolarHBondContact O-N 3.15Å; I262-R264 PolarHBondContact O-N 3.5Å; I262-R264 VanDerWaalsContact O-N 3.16Å; I262-H265 PolarHBondContact O-N 2.97Å; I262-I292 HydrophobicContact CB-CD1 4.25Å; I262-I292 HydrophobicContact CG2-CB 4.14Å; I262-I292 HydrophobicContact CG2-CD1 4Å; I262-I292 HydrophobicContact CG2-CG2 3.68Å; I262-V296 HydrophobicContact CG1-CG2 4.32Å; I262-V296 HydrophobicContact CG2-CG2 4.23Å
263	A	79.4	Confident	77.9	Confident	2 Å²	2	64.6 Å²	64.6	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-23.5	178.5	0	0	0	0	0	113.3	Q259 A260 E261 H265 L266 Y271 F274 I292	Q259-A263 WeakPolarHBondContact O-CB 3.43Å; Q259-A263 PolarHBondContact O-N 3.29Å; A260-A263 PolarHBondContact O-N 3.36Å; E261-A263 VanDerWaalsContact C-N 3.3Å; E261-A263 PolarHBondContact O-N 3.45Å; A263-H265 PolarHBondContact O-N 3.37Å; A263-L266 HydrophobicContact CB-CD1 4.13Å; A263-L266 WeakPolarHBondContact O-CB 3.42Å; A263-L266 PolarHBondContact O-N 2.98Å; A263-L266 VanDerWaalsContact O-N 3.15Å; A263-Y271 HydrophobicContact CB-CD2 4.18Å; A263-Y271 HydrophobicContact CB-CE2 4.15Å; A263-Y271 WeakPolarHBondContact O-CD2 3.33Å; A263-F274 HydrophobicContact CB-CD1 3.91Å; A263-F274 HydrophobicContact CB-CE1 3.83Å; A263-I292 HydrophobicContact CB-CD1 4.02Å
264	R	80.9	Confident	79	Confident	210 Å²	210	58.9 Å²	58.9	79%	0.792	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.2	174.3	-66.7	178.4	124.6	160.4	-0.1	113.2	A260 E261 I262	A260-R264 PolarHBondContact O-N 2.82Å; E261-R264 WeakPolarHBondContact O-CB 3.45Å; E261-R264 PolarHBondContact O-N 3.16Å; I262-R264 PolarHBondContact O-N 3.5Å; I262-R264 VanDerWaalsContact O-N 3.16Å
265	H	83.5	Confident	80.1	Confident	40 Å²	40	60.7 Å²	60.7	19%	0.185	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.9	179	-60.5	-66.8	0	0	0	112.7	I262 A263 A299 S303 L349	I262-H265 PolarHBondContact O-N 2.97Å; A263-H265 PolarHBondContact O-N 3.37Å; H265-A299 HydrophobicContact CB-CB 4.26Å; H265-S303 PolarHBondContact ND1-OG 2.85Å; H265-L349 HydrophobicContact CB-CD1 4.01Å
266	L	84.2	Confident	81.1	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.079	28%	0.28	C	S	.	.	S	Bend	trans	-77	143.6	176.3	-73.1	174.8	0	0	0	111.7	A263 L270 F274 I292 L349	A263-L266 HydrophobicContact CB-CD1 4.13Å; A263-L266 WeakPolarHBondContact O-CB 3.42Å; A263-L266 PolarHBondContact O-N 2.98Å; A263-L266 VanDerWaalsContact O-N 3.15Å; L266-L270 HydrophobicContact CB-CB 4.37Å; L266-L270 HydrophobicContact CD2-CB 4.25Å; L266-L270 HydrophobicContact CD2-CD1 4.42Å; L266-F274 HydrophobicContact CD1-CB 4.13Å; L266-F274 HydrophobicContact CD1-CG 4.37Å; L266-I292 HydrophobicContact CD1-CD1 3.77Å; L266-I292 HydrophobicContact CD1-CG1 4.15Å; L266-I292 HydrophobicContact CD2-CG2 3.96Å; L266-I292 HydrophobicContact CG-CD1 4.42Å; L266-L349 HydrophobicContact CD2-CB 3.78Å; L266-L349 HydrophobicContact CD2-CD1 3.96Å
267	P	85.4	Confident	82	Confident	12 Å²	12	53.6 Å²	53.6	8%	0.078	26%	0.262	C	S	.	.			trans	-55.5	149.4	167.3	-25.9	34.8	0	0	0	111.8	P269 L270 Y271 H347 Y369	P267-P269 VanDerWaalsContact C-N 3.34Å; P267-L270 HydrophobicContact CG-CD1 4.17Å; P267-L270 PolarHBondContact O-N 2.87Å; P267-Y271 PolarHBondContact O-N 3.08Å; P267-H347 VanDerWaalsContact CD-CE1 3.45Å; P267-H347 WeakPolarHBondContact CD-CE1 3.31Å; P267-H347 HydrophobicContact CG-CB 4.17Å; P267-H347 WeakPolarHBondContact CG-CD2 3.39Å; P267-H347 VanDerWaalsContact CG-CG 3.42Å; P267-Y369 HydrophobicContact CB-CD1 3.53Å; P267-Y369 HydrophobicContact CB-CE1 3.75Å; P267-Y369 HydrophobicContact CB-CG 4.14Å; P267-Y369 HydrophobicContact CG-CD1 3.62Å; P267-Y369 HydrophobicContact CG-CE1 4.22Å; P267-Y369 HydrophobicContact CG-CG 4.29Å
268	P	86.1	Confident	82.8	Confident	99 Å²	99	49.8 Å²	49.8	64%	0.643	25%	0.246	S	C	*	.	H	α-helix	trans	-51.5	-43.2	-176.8	-23.6	30.5	0	0	0	114.4	Y271 V272	P268-Y271 PolarHBondContact O-N 3.35Å; P268-V272 WeakPolarHBondContact O-CG2 3.49Å; P268-V272 PolarHBondContact O-N 2.94Å
269	P	87	Confident	83.5	Confident	7 Å²	7	46.6 Å²	46.6	5%	0.045	24%	0.24	C	C	.	.	H	α-helix	trans	-66.7	-37.8	178.3	-23.9	37.5	0	0	0	113.8	P267 L273 Y369 L376 G451 L453	P267-P269 VanDerWaalsContact C-N 3.34Å; P269-L273 WeakPolarHBondContact O-CB 3.34Å; P269-L273 PolarHBondContact O-N 3.25Å; P269-L273 VanDerWaalsContact O-N 3.09Å; P269-Y369 HydrophobicContact CB-CD2 4.47Å; P269-Y369 HydrophobicContact CB-CE2 4.33Å; P269-Y369 HydrophobicContact CG-CD2 4.31Å; P269-Y369 HydrophobicContact CG-CE2 3.73Å; P269-L376 HydrophobicContact CB-CD1 3.84Å; P269-L376 HydrophobicContact CB-CD2 4.3Å; P269-L376 HydrophobicContact CB-CG 4.14Å; P269-G451 WeakPolarHBondContact CA-O 3.49Å; P269-L453 HydrophobicContact CB-CD1 3.99Å; P269-L453 HydrophobicContact CB-CG 4.09Å; P269-L453 HydrophobicContact CG-CD1 3.88Å; P269-L453 HydrophobicContact CG-CD2 3.96Å; P269-L453 HydrophobicContact CG-CG 3.98Å
270	L	87.7	Confident	84.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-72	-33.9	176.3	-73	179.9	0	0	0	111.8	L266 P267 L273 F274 L351 F367 L376	L266-L270 HydrophobicContact CB-CB 4.37Å; L266-L270 HydrophobicContact CD2-CB 4.25Å; L266-L270 HydrophobicContact CD2-CD1 4.42Å; P267-L270 HydrophobicContact CG-CD1 4.17Å; P267-L270 PolarHBondContact O-N 2.87Å; L270-L273 HydrophobicContact CD2-CD2 4.49Å; L270-L273 PolarHBondContact O-N 3.32Å; L270-F274 WeakPolarHBondContact O-CB 3.49Å; L270-F274 PolarHBondContact O-N 3.15Å; L270-L351 HydrophobicContact CD2-CB 4.17Å; L270-F367 HydrophobicContact CD2-CB 4.06Å; L270-L376 HydrophobicContact CD2-CD2 3.49Å; L270-L376 VanDerWaalsContact CD2-CD2 3.49Å; L270-L376 HydrophobicContact CG-CD2 3.86Å
271	Y	87.3	Confident	84.6	Confident	111 Å²	111	43.1 Å²	43.1	44%	0.435	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-45.9	174.5	-178.7	-99.7	0	0	0	111.6	A263 P267 P268 L273 F274 V275	A263-Y271 HydrophobicContact CB-CD2 4.18Å; A263-Y271 HydrophobicContact CB-CE2 4.15Å; A263-Y271 WeakPolarHBondContact O-CD2 3.33Å; P267-Y271 PolarHBondContact O-N 3.08Å; P268-Y271 PolarHBondContact O-N 3.35Å; Y271-L273 VanDerWaalsContact C-N 3.32Å; Y271-L273 PolarHBondContact O-N 2.95Å; Y271-F274 WeakPolarHBondContact O-CB 3.47Å; Y271-F274 PolarHBondContact O-N 3.07Å; Y271-V275 HydrophobicContact CD1-CG2 4.19Å; Y271-V275 HydrophobicContact CD2-CG2 4.49Å; Y271-V275 HydrophobicContact CE1-CG2 3.75Å; Y271-V275 HydrophobicContact CE2-CG2 4.07Å; Y271-V275 WeakPolarHBondContact O-CG2 3.39Å; Y271-V275 PolarHBondContact O-N 3.3Å
272	V	87.9	Confident	84.9	Confident	33 Å²	33	44.5 Å²	44.5	20%	0.2	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-46.7	175.1	171.7	0	0	0	0	110.4	P268 F274 V275 Q276	P268-V272 WeakPolarHBondContact O-CG2 3.49Å; P268-V272 PolarHBondContact O-N 2.94Å; V272-F274 PolarHBondContact O-N 2.91Å; V272-V275 PolarHBondContact O-N 2.86Å; V272-Q276 HydrophobicContact CG1-CG 4.38Å; V272-Q276 WeakPolarHBondContact O-CB 3.35Å; V272-Q276 VanDerWaalsContact O-CG 3.28Å; V272-Q276 WeakPolarHBondContact O-CG 3.47Å; V272-Q276 PolarHBondContact O-N 3.19Å
273	L	87.4	Confident	85	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.3	-44.5	176.4	-177.2	66.1	0	0	0	112	P269 L270 Y271 Q276 A277 L351 L353 F367 L450 M474	P269-L273 WeakPolarHBondContact O-CB 3.34Å; P269-L273 PolarHBondContact O-N 3.25Å; P269-L273 VanDerWaalsContact O-N 3.09Å; L270-L273 HydrophobicContact CD2-CD2 4.49Å; L270-L273 PolarHBondContact O-N 3.32Å; Y271-L273 VanDerWaalsContact C-N 3.32Å; Y271-L273 PolarHBondContact O-N 2.95Å; L273-Q276 PolarHBondContact O-N 3.31Å; L273-A277 WeakPolarHBondContact O-CB 3.5Å; L273-A277 PolarHBondContact O-N 3.01Å; L273-L351 HydrophobicContact CD2-CD2 3.98Å; L273-L351 HydrophobicContact CG-CD2 4.33Å; L273-L353 HydrophobicContact CD1-CD1 4.5Å; L273-L353 HydrophobicContact CD2-CD1 4.38Å; L273-L353 HydrophobicContact CG-CD1 4.39Å; L273-F367 HydrophobicContact CD2-CB 4.07Å; L273-F367 HydrophobicContact CD2-CD1 3.84Å; L273-F367 HydrophobicContact CD2-CD2 3.91Å; L273-F367 HydrophobicContact CD2-CE1 4.23Å; L273-F367 HydrophobicContact CD2-CE2 4.33Å; L273-F367 HydrophobicContact CD2-CG 3.65Å; L273-F367 HydrophobicContact CD2-CZ 4.46Å; L273-L450 HydrophobicContact CD1-CB 3.68Å; L273-M474 HydrophobicContact CD1-CE 4.12Å
274	F	88.8	Confident	85	Confident	13 Å²	13	49.9 Å²	49.9	6%	0.057	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-50.4	178.2	176.6	-104.4	0	0	0	112.1	Q259 A263 L266 L270 Y271 V272 Q276 A277 N278 V290 I292 L351	Q259-F274 HydrophobicContact CB-CZ 4.16Å; A263-F274 HydrophobicContact CB-CD1 3.91Å; A263-F274 HydrophobicContact CB-CE1 3.83Å; L266-F274 HydrophobicContact CD1-CB 4.13Å; L266-F274 HydrophobicContact CD1-CG 4.37Å; L270-F274 WeakPolarHBondContact O-CB 3.49Å; L270-F274 PolarHBondContact O-N 3.15Å; Y271-F274 WeakPolarHBondContact O-CB 3.47Å; Y271-F274 PolarHBondContact O-N 3.07Å; V272-F274 PolarHBondContact O-N 2.91Å; F274-Q276 VanDerWaalsContact C-N 3.34Å; F274-Q276 PolarHBondContact O-N 3.26Å; F274-A277 PolarHBondContact O-N 3.37Å; F274-N278 VanDerWaalsContact O-CB 3.27Å; F274-N278 WeakPolarHBondContact O-CB 3.21Å; F274-N278 PolarHBondContact O-N 3.27Å; F274-V290 HydrophobicContact CD2-CG1 3.72Å; F274-V290 HydrophobicContact CE2-CG1 4.05Å; F274-I292 HydrophobicContact CD2-CD1 4.18Å; F274-I292 HydrophobicContact CD2-CG1 4.1Å; F274-I292 HydrophobicContact CE2-CD1 4.02Å; F274-I292 HydrophobicContact CE2-CG1 4.1Å; F274-I292 HydrophobicContact CZ-CD1 4.32Å; F274-L351 HydrophobicContact CB-CD1 3.56Å; F274-L351 HydrophobicContact CD2-CD1 4.02Å; F274-L351 HydrophobicContact CG-CD1 4.29Å
275	V	87.2	Confident	84.8	Confident	56 Å²	56	41 Å²	41	34%	0.339	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-45.8	-179.8	172.2	0	0	0	0	110.4	Y271 V272 A279	Y271-V275 HydrophobicContact CD1-CG2 4.19Å; Y271-V275 HydrophobicContact CD2-CG2 4.49Å; Y271-V275 HydrophobicContact CE1-CG2 3.75Å; Y271-V275 HydrophobicContact CE2-CG2 4.07Å; Y271-V275 WeakPolarHBondContact O-CG2 3.39Å; Y271-V275 PolarHBondContact O-N 3.3Å; V272-V275 PolarHBondContact O-N 2.86Å; V275-A279 VanDerWaalsContact O-CB 3.28Å; V275-A279 WeakPolarHBondContact O-CB 3.27Å; V275-A279 PolarHBondContact O-N 3.33Å
276	Q	85.6	Confident	84.7	Confident	27 Å²	27	48.4 Å²	48.4	13%	0.126	27%	0.27	C	S	.	.	H	α-helix	trans	-69.8	-40.9	-178	-70.1	-65.3	-17.1	0	0	112.7	V272 L273 F274 A279 Y280 S467 S470 M474	V272-Q276 HydrophobicContact CG1-CG 4.38Å; V272-Q276 WeakPolarHBondContact O-CB 3.35Å; V272-Q276 VanDerWaalsContact O-CG 3.28Å; V272-Q276 WeakPolarHBondContact O-CG 3.47Å; V272-Q276 PolarHBondContact O-N 3.19Å; L273-Q276 PolarHBondContact O-N 3.31Å; F274-Q276 VanDerWaalsContact C-N 3.34Å; F274-Q276 PolarHBondContact O-N 3.26Å; Q276-A279 PolarHBondContact O-N 2.87Å; Q276-Y280 WeakPolarHBondContact O-CB 3.5Å; Q276-Y280 PolarHBondContact O-N 3.25Å; Q276-S467 PolarHBondContact NE2-O 3.13Å; Q276-S467 PolarHBondContact NE2-OG 3.44Å; Q276-S470 WeakPolarHBondContact CG-OG 3.23Å; Q276-M474 HydrophobicContact CB-CE 3.7Å
277	A	85.6	Confident	84.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-40.4	176.8	0	0	0	0	0	111.9	L273 F274 Y280 G281 L288 V290 L353 M474	L273-A277 WeakPolarHBondContact O-CB 3.5Å; L273-A277 PolarHBondContact O-N 3.01Å; F274-A277 PolarHBondContact O-N 3.37Å; A277-Y280 PolarHBondContact O-N 2.96Å; A277-G281 PolarHBondContact O-N 2.71Å; A277-L288 HydrophobicContact CB-CD2 4.48Å; A277-V290 HydrophobicContact CB-CG2 3.89Å; A277-L353 HydrophobicContact CB-CD1 4.34Å; A277-L353 HydrophobicContact CB-CD2 3.65Å; A277-M474 HydrophobicContact CB-CE 4.44Å
278	N	84.3	Confident	84.6	Confident	45 Å²	45	51.4 Å²	51.4	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-41.3	175.3	-166.2	21	0	0	0	111.4	F274 Y280 G281 Q282	F274-N278 VanDerWaalsContact O-CB 3.27Å; F274-N278 WeakPolarHBondContact O-CB 3.21Å; F274-N278 PolarHBondContact O-N 3.27Å; N278-Y280 PolarHBondContact O-N 3.47Å; N278-G281 PolarHBondContact O-N 3.02Å; N278-Q282 PolarHBondContact ND2-NE2 3.45Å; N278-Q282 VanDerWaalsContact O-CG 3.31Å; N278-Q282 WeakPolarHBondContact O-CG 3.31Å; N278-Q282 PolarHBondContact O-N 2.82Å; N278-Q282 PolarHBondContact OD1-NE2 3.15Å
279	A	85.3	Confident	84.4	Confident	44 Å²	44	49.8 Å²	49.8	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-60.8	-45.3	175.1	0	0	0	0	0	111.7	V275 Q276 Q282 A283	V275-A279 VanDerWaalsContact O-CB 3.28Å; V275-A279 WeakPolarHBondContact O-CB 3.27Å; V275-A279 PolarHBondContact O-N 3.33Å; Q276-A279 PolarHBondContact O-N 2.87Å; A279-Q282 PolarHBondContact O-N 3.14Å; A279-A283 VanDerWaalsContact O-CB 3.23Å; A279-A283 WeakPolarHBondContact O-CB 3.47Å; A279-A283 PolarHBondContact O-N 3.23Å
280	Y	85.6	Confident	84.4	Confident	24 Å²	24	50.3 Å²	50.3	9%	0.094	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-42.5	176.2	-178.3	-98	0	0	0	112.2	Q276 A277 N278 Q282 A283 C284 D285 L288 M474 E475 M478	Q276-Y280 WeakPolarHBondContact O-CB 3.5Å; Q276-Y280 PolarHBondContact O-N 3.25Å; A277-Y280 PolarHBondContact O-N 2.96Å; N278-Y280 PolarHBondContact O-N 3.47Å; Y280-Q282 VanDerWaalsContact C-N 3.31Å; Y280-Q282 PolarHBondContact O-N 2.99Å; Y280-A283 PolarHBondContact O-N 3.35Å; Y280-C284 HydrophobicContact CD2-CB 4.08Å; Y280-C284 HydrophobicContact CE2-CB 3.75Å; Y280-C284 PolarHBondContact O-N 3.49Å; Y280-D285 HydrophobicContact CD1-CB 4.07Å; Y280-D285 HydrophobicContact CE1-CB 3.5Å; Y280-D285 VanDerWaalsContact CE1-CB 3.5Å; Y280-D285 WeakPolarHBondContact O-CA 3.5Å; Y280-D285 PolarHBondContact O-N 3.27Å; Y280-L288 HydrophobicContact CD1-CD1 3.86Å; Y280-L288 HydrophobicContact CE1-CD1 4.3Å; Y280-M474 HydrophobicContact CD2-CG 4.24Å; Y280-M474 HydrophobicContact CG-CG 3.96Å; Y280-E475 HydrophobicContact CD2-CB 4.5Å; Y280-E475 HydrophobicContact CE2-CB 3.87Å; Y280-E475 HydrophobicContact CE2-CG 3.98Å; Y280-M478 HydrophobicContact CD1-CG 4.28Å; Y280-M478 HydrophobicContact CE1-CB 3.99Å; Y280-M478 HydrophobicContact CE1-CG 3.99Å
281	G	83.5	Confident	84.3	Confident	11 Å²	11	52.1 Å²	52.1	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-56.3	-43	174.7	0	0	0	0	0	113	A277 N278 D285 K286	A277-G281 PolarHBondContact O-N 2.71Å; N278-G281 PolarHBondContact O-N 3.02Å; G281-D285 WeakPolarHBondContact CA-O 3.41Å; G281-D285 CarbonylContact O-C 3.5Å; G281-D285 WeakPolarHBondContact O-CA 3.29Å; G281-D285 PolarHBondContact O-N 3.02Å; G281-K286 PolarHBondContact O-N 2.87Å
282	Q	81.8	Confident	84.2	Confident	136 Å²	136	48.1 Å²	48.1	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-75.4	-38.9	178.9	-68.6	176.3	21.2	0	0	113.2	N278 A279 Y280	N278-Q282 PolarHBondContact ND2-NE2 3.45Å; N278-Q282 VanDerWaalsContact O-CG 3.31Å; N278-Q282 WeakPolarHBondContact O-CG 3.31Å; N278-Q282 PolarHBondContact O-N 2.82Å; N278-Q282 PolarHBondContact OD1-NE2 3.15Å; A279-Q282 PolarHBondContact O-N 3.14Å; Y280-Q282 VanDerWaalsContact C-N 3.31Å; Y280-Q282 PolarHBondContact O-N 2.99Å
283	A	81.6	Confident	83.9	Confident	83 Å²	83	48.8 Å²	48.8	69%	0.686	28%	0.283	S	S	*	.	H	α-helix	trans	-84.4	-42.2	-171.8	0	0	0	0	0	114	A279 Y280	A279-A283 VanDerWaalsContact O-CB 3.23Å; A279-A283 WeakPolarHBondContact O-CB 3.47Å; A279-A283 PolarHBondContact O-N 3.23Å; Y280-A283 PolarHBondContact O-N 3.35Å
284	C	77.9	Confident	83.6	Confident	81 Å²	81	51.2 Å²	51.2	55%	0.547	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-29.8	-171.7	-54.7	0	0	0	0	112.7	Y280	Y280-C284 HydrophobicContact CD2-CB 4.08Å; Y280-C284 HydrophobicContact CE2-CB 3.75Å; Y280-C284 PolarHBondContact O-N 3.49Å
285	D	78.1	Confident	83.1	Confident	23 Å²	23	54.5 Å²	54.5	12%	0.123	33%	0.326	C	S	.	.			trans	-109.8	46.5	-152.9	-109.5	-45.9	0	0	0	123.6	Y280 G281 N287 L288 R482	Y280-D285 HydrophobicContact CD1-CB 4.07Å; Y280-D285 HydrophobicContact CE1-CB 3.5Å; Y280-D285 VanDerWaalsContact CE1-CB 3.5Å; Y280-D285 WeakPolarHBondContact O-CA 3.5Å; Y280-D285 PolarHBondContact O-N 3.27Å; G281-D285 WeakPolarHBondContact CA-O 3.41Å; G281-D285 CarbonylContact O-C 3.5Å; G281-D285 WeakPolarHBondContact O-CA 3.29Å; G281-D285 PolarHBondContact O-N 3.02Å; D285-N287 PolarHBondContact O-N 3.16Å; D285-N287 WeakPolarHBondContact OD1-CB 3Å; D285-N287 PolarHBondContact OD1-N 3.36Å; D285-L288 WeakPolarHBondContact O-CB 3.5Å; D285-L288 PolarHBondContact O-N 3.27Å; D285-R482 IonicContact OD1-CZ 2.92Å; D285-R482 IonicContact OD1-NH1 3.5Å; D285-R482 IonicContact OD1-NH2 3.94Å; D285-R482 PolarHBondContact OD1-NH2 2.81Å; D285-R482 IonicContact OD2-CZ 2.73Å; D285-R482 IonicContact OD2-NH1 3.44Å; D285-R482 PolarHBondContact OD2-NH1 3.34Å; D285-R482 IonicContact OD2-NH2 3.8Å; D285-R482 PolarHBondContact OD2-NH2 2.91Å
286	K	79.6	Confident	82.6	Confident	197 Å²	197	54.1 Å²	54.1	86%	0.857	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.3	-171.6	-66.4	-170.2	-178.4	-175.3	0	115.3	G281 L288	G281-K286 PolarHBondContact O-N 2.87Å; K286-L288 VanDerWaalsContact C-N 3.31Å
287	N	81.9	Confident	82.1	Confident	73 Å²	73	58.5 Å²	58.5	39%	0.39	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	13	178	-69.1	9.7	0	0	0	113.1	D285 Q356	D285-N287 PolarHBondContact O-N 3.16Å; D285-N287 WeakPolarHBondContact OD1-CB 3Å; D285-N287 PolarHBondContact OD1-N 3.36Å; N287-Q356 HydrophobicContact CB-CB 4.21Å; N287-Q356 PolarHBondContact O-N 2.87Å
288	L	86.2	Confident	81.6	Confident	16 Å²	16	62.9 Å²	62.9	8%	0.084	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.6	174.3	-174.6	154.1	0	0	0	109.2	A277 Y280 D285 K286 V290 L353 L355 M478	A277-L288 HydrophobicContact CB-CD2 4.48Å; Y280-L288 HydrophobicContact CD1-CD1 3.86Å; Y280-L288 HydrophobicContact CE1-CD1 4.3Å; D285-L288 WeakPolarHBondContact O-CB 3.5Å; D285-L288 PolarHBondContact O-N 3.27Å; K286-L288 VanDerWaalsContact C-N 3.31Å; L288-V290 HydrophobicContact CD2-CG2 3.42Å; L288-V290 VanDerWaalsContact CD2-CG2 3.42Å; L288-L353 HydrophobicContact CD1-CD2 4.5Å; L288-L353 HydrophobicContact CD2-CD2 3.85Å; L288-L353 HydrophobicContact CG-CD2 4.34Å; L288-L355 HydrophobicContact CB-CD2 3.97Å; L288-L355 HydrophobicContact CD1-CD2 3.46Å; L288-L355 VanDerWaalsContact CD1-CD2 3.46Å; L288-L355 HydrophobicContact CG-CD2 3.68Å; L288-M478 HydrophobicContact CD1-CE 3.99Å; L288-M478 HydrophobicContact CD1-CG 4.47Å; L288-M478 HydrophobicContact CD1-SD 3.94Å
289	S	82.6	Confident	81.1	Confident	65 Å²	65	60.8 Å²	60.8	46%	0.455	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.6	172.4	53.7	0	0	0	0	111.5	D354	S289-D354 PolarHBondContact N-O 3.47Å; S289-D354 PolarHBondContact O-N 2.91Å; S289-D354 WeakPolarHBondContact OG-CB 3.48Å
290	V	86.4	Confident	80.5	Confident	18 Å²	18	65.3 Å²	65.3	11%	0.109	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.3	179.7	-163.1	0	0	0	0	109.2	Q259 F274 A277 L288 L351 L353	Q259-V290 PolarHBondContact NE2-O 3.47Å; F274-V290 HydrophobicContact CD2-CG1 3.72Å; F274-V290 HydrophobicContact CE2-CG1 4.05Å; A277-V290 HydrophobicContact CB-CG2 3.89Å; L288-V290 HydrophobicContact CD2-CG2 3.42Å; L288-V290 VanDerWaalsContact CD2-CG2 3.42Å; V290-L351 HydrophobicContact CG1-CD1 4.24Å; V290-L351 HydrophobicContact CG1-CD2 4.13Å; V290-L351 HydrophobicContact CG1-CG 4.2Å; V290-L353 HydrophobicContact CB-CD2 4.22Å; V290-L353 HydrophobicContact CG1-CD2 4.03Å; V290-L353 HydrophobicContact CG1-CG 4.4Å; V290-L353 HydrophobicContact CG2-CD2 3.61Å
291	S	85.1	Confident	79.9	Confident	38 Å²	38	67.4 Å²	67.4	27%	0.266	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.2	172.7	57.8	0	0	0	0	111.1	S352	S291-S352 PolarHBondContact N-O 2.9Å; S291-S352 PolarHBondContact O-N 3.04Å; S291-S352 WeakPolarHBondContact OG-CB 3.31Å
292	I	86.9	Confident	79.1	Confident	28 Å²	28	70.7 Å²	70.7	14%	0.144	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.4	173.9	-56.8	166.5	0	0	0	107	I262 A263 L266 F274	I262-I292 HydrophobicContact CB-CD1 4.25Å; I262-I292 HydrophobicContact CG2-CB 4.14Å; I262-I292 HydrophobicContact CG2-CD1 4Å; I262-I292 HydrophobicContact CG2-CG2 3.68Å; A263-I292 HydrophobicContact CB-CD1 4.02Å; L266-I292 HydrophobicContact CD1-CD1 3.77Å; L266-I292 HydrophobicContact CD1-CG1 4.15Å; L266-I292 HydrophobicContact CD2-CG2 3.96Å; L266-I292 HydrophobicContact CG-CD1 4.42Å; F274-I292 HydrophobicContact CD2-CD1 4.18Å; F274-I292 HydrophobicContact CD2-CG1 4.1Å; F274-I292 HydrophobicContact CE2-CD1 4.02Å; F274-I292 HydrophobicContact CE2-CG1 4.1Å; F274-I292 HydrophobicContact CZ-CD1 4.32Å
293	C	80.4	Confident	78.1	Confident	46 Å²	46	67.2 Å²	67.2	31%	0.311	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.6	-178.1	-59.3	0	0	0	0	110.2	L349 S350	C293-L349 WeakPolarHBondContact O-CA 3.39Å; C293-S350 PolarHBondContact N-O 3.38Å; C293-S350 PolarHBondContact O-N 2.84Å; C293-S350 PolarHBondContact O-OG 3.5Å; C293-S350 VanDerWaalsContact O-OG 3.11Å
294	G	80.3	Confident	76.7	Confident	52 Å²	52	70.4 Å²	70.4	54%	0.536	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.4	-172.3	175.7	0	0	0	0	0	113.7	P348	G294-P348 VanDerWaalsContact CA-O 3.29Å; G294-P348 WeakPolarHBondContact CA-O 3.39Å
295	D	78.4	Confident	75.2	Confident	81 Å²	81	71.5 Å²	71.5	43%	0.433	40%	0.398	S	S	.	.			trans	-90.8	115	-178.4	-164.1	-34.3	0	0	0	111	D297 E298 A299 L349	D295-D297 WeakPolarHBondContact OD1-CB 3.22Å; D295-D297 PolarHBondContact OD1-N 2.91Å; D295-E298 HydrophobicContact CB-CB 4.11Å; D295-E298 PolarHBondContact OD1-N 3.41Å; D295-A299 WeakPolarHBondContact O-CB 3.38Å; D295-A299 PolarHBondContact O-N 3.4Å; D295-L349 WeakPolarHBondContact O-CD2 3.39Å
296	V	78.6	Confident	73.5	Confident	48 Å²	48	76 Å²	76	29%	0.291	43%	0.428	S	S	.	.	H	α-helix	trans	-75.3	-29	-179	-176.3	0	0	0	0	111.4	I262 R300 L349	I262-V296 HydrophobicContact CG1-CG2 4.32Å; I262-V296 HydrophobicContact CG2-CG2 4.23Å; V296-R300 VanDerWaalsContact O-CB 3.31Å; V296-R300 WeakPolarHBondContact O-CB 3.28Å; V296-R300 PolarHBondContact O-N 3.32Å; V296-L349 HydrophobicContact CG2-CD2 4.42Å
297	D	73.4	Confident	71.3	Confident	119 Å²	119	73.8 Å²	73.8	64%	0.636	43%	0.426	S	S	*	.	H	α-helix	trans	-76.2	-41.2	-178.1	-69.2	-33.3	0	0	0	110.7	D295 A299 R300 A301	D295-D297 WeakPolarHBondContact OD1-CB 3.22Å; D295-D297 PolarHBondContact OD1-N 2.91Å; D297-A299 VanDerWaalsContact C-N 3.34Å; D297-R300 PolarHBondContact O-N 2.87Å; D297-A301 PolarHBondContact O-N 3.25Å
298	E	74.8	Confident	69.1	Low	92 Å²	92	77.7 Å²	77.7	43%	0.43	45%	0.447	S	S	.	.	H	α-helix	trans	-64.4	-39.7	173.3	-163.8	-178.4	175.9	0	0	111.4	D295 A301 L302 P348	D295-E298 HydrophobicContact CB-CB 4.11Å; D295-E298 PolarHBondContact OD1-N 3.41Å; E298-A301 PolarHBondContact O-N 2.88Å; E298-L302 PolarHBondContact O-N 3.48Å; E298-L302 VanDerWaalsContact O-N 3.07Å; E298-P348 HydrophobicContact CB-CB 4.03Å; E298-P348 HydrophobicContact CB-CG 4.18Å; E298-P348 HydrophobicContact CG-CB 4.16Å; E298-P348 HydrophobicContact CG-CG 4.16Å
299	A	73.9	Confident	66.8	Low	1 Å²	1	82 Å²	82	1%	0.008	48%	0.478	C	S	.	.	H	α-helix	trans	-66.1	-38.2	174.8	0	0	0	0	0	112.8	H265 D295 D297 A301 L302 S303 P348 L349	H265-A299 HydrophobicContact CB-CB 4.26Å; D295-A299 WeakPolarHBondContact O-CB 3.38Å; D295-A299 PolarHBondContact O-N 3.4Å; D297-A299 VanDerWaalsContact C-N 3.34Å; A299-A301 VanDerWaalsContact C-N 3.34Å; A299-L302 PolarHBondContact O-N 3.37Å; A299-S303 WeakPolarHBondContact O-CB 3.37Å; A299-S303 PolarHBondContact O-N 2.9Å; A299-S303 PolarHBondContact O-OG 3.38Å; A299-P348 HydrophobicContact CB-CG 4.1Å; A299-L349 HydrophobicContact CB-CD1 3.58Å; A299-L349 HydrophobicContact CB-CD2 4.19Å; A299-L349 HydrophobicContact CB-CG 3.6Å
300	R	73.6	Confident	64.7	Low	139 Å²	139	86.5 Å²	86.5	53%	0.525	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-40.7	174.9	-177.6	178.8	-85.4	-169.1	-4.1	111	V296 D297 L302 S303 K304	V296-R300 VanDerWaalsContact O-CB 3.31Å; V296-R300 WeakPolarHBondContact O-CB 3.28Å; V296-R300 PolarHBondContact O-N 3.32Å; D297-R300 PolarHBondContact O-N 2.87Å; R300-L302 VanDerWaalsContact C-N 3.35Å; R300-S303 WeakPolarHBondContact CA-OG 3.37Å; R300-S303 PolarHBondContact O-N 3.3Å; R300-S303 PolarHBondContact O-OG 2.78Å; R300-K304 PolarHBondContact O-N 2.69Å
301	A	72.6	Confident	62.5	Low	68 Å²	68	92.4 Å²	92.4	56%	0.562	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-39.4	175.4	0	0	0	0	0	112.4	D297 E298 A299	D297-A301 PolarHBondContact O-N 3.25Å; E298-A301 PolarHBondContact O-N 2.88Å; A299-A301 VanDerWaalsContact C-N 3.34Å
302	L	67.8	Low	60	Low	80 Å²	80	98.2 Å²	98.2	42%	0.419	55%	0.551	S	S	.	*	H	α-helix	trans	-70.5	-28.6	174.9	-76.9	159	0	0	0	113.6	E298 A299 R300 P348	E298-L302 PolarHBondContact O-N 3.48Å; E298-L302 VanDerWaalsContact O-N 3.07Å; A299-L302 PolarHBondContact O-N 3.37Å; R300-L302 VanDerWaalsContact C-N 3.35Å; L302-P348 HydrophobicContact CD1-CG 3.66Å
303	S	59.8	Low	57.8	Low	64 Å²	64	106.3 Å²	106.3	45%	0.448	59%	0.588	S	S	.	*	H	α-helix	trans	-81.7	-15.1	179.1	70.4	0	0	0	0	114.4	H265 A299 R300	H265-S303 PolarHBondContact ND1-OG 2.85Å; A299-S303 WeakPolarHBondContact O-CB 3.37Å; A299-S303 PolarHBondContact O-N 2.9Å; A299-S303 PolarHBondContact O-OG 3.38Å; R300-S303 WeakPolarHBondContact CA-OG 3.37Å; R300-S303 PolarHBondContact O-N 3.3Å; R300-S303 PolarHBondContact O-OG 2.78Å
304	K	52.5	Low	55.6	Low	149 Å²	149	108.6 Å²	108.6	65%	0.648	61%	0.605	S	S	*	*	S	Bend	trans	-71.8	124.5	167.4	-76.1	-175.5	176.2	-175.3	0	107	R300	R300-K304 PolarHBondContact O-N 2.69Å
305	P	46.2	Very low	53.9	Low	104 Å²	104	113.3 Å²	113.3	68%	0.675	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-54.2	145.7	166.9	24.7	-30.7	0	0	0	107.8	D307	P305-D307 PolarHBondContact O-N 3.26Å
306	P	43.6	Very low	51.6	Low	119 Å²	119	114.4 Å²	114.4	77%	0.773	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-52.2	119.7	166.6	23.4	-30	0	0	0	106.2	D308	P306-D308 PolarHBondContact O-N 2.77Å; P306-D308 VanDerWaalsContact O-N 3.11Å
307	D	32.2	Very low	49.9	Very low	149 Å²	149	119.9 Å²	119.9	80%	0.797	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-52	123.2	168.9	-111.3	-27.8	0	0	0	105.8	P305 S309	P305-D307 PolarHBondContact O-N 3.26Å; D307-S309 PolarHBondContact O-N 3.36Å; D307-S309 PolarHBondContact O-OG 2.86Å
308	D	36.5	Very low	47.9	Very low	155 Å²	155	118.6 Å²	118.6	83%	0.829	67%	0.666	S	S	*	*			trans	-59.3	77.5	164.2	-83.4	-36.7	0	0	0	107.5	P306 Q310	P306-D308 PolarHBondContact O-N 2.77Å; P306-D308 VanDerWaalsContact O-N 3.11Å; D308-Q310 VanDerWaalsContact C-N 3.26Å; D308-Q310 PolarHBondContact O-N 3.29Å
309	S	36.8	Very low	46.4	Very low	107 Å²	107	123.5 Å²	123.5	75%	0.748	69%	0.689	S	S	*	*			trans	-91.5	78.2	157.6	42.1	0	0	0	0	105.6	D307 D311	D307-S309 PolarHBondContact O-N 3.36Å; D307-S309 PolarHBondContact O-OG 2.86Å; S309-D311 PolarHBondContact O-N 2.75Å
310	Q	39.1	Very low	44.5	Very low	160 Å²	160	132.7 Å²	132.7	75%	0.748	73%	0.731	S	S	*	*			trans	-55.2	126.8	157	-73.3	-179.2	-29.2	0	0	108	D308	D308-Q310 VanDerWaalsContact C-N 3.26Å; D308-Q310 PolarHBondContact O-N 3.29Å
311	D	40.4	Very low	42.8	Very low	142 Å²	142	135.2 Å²	135.2	76%	0.759	75%	0.749	S	S	*	*			trans	40.2	90.1	141.1	-54.8	-28.8	0	0	0	117.2	S309	S309-D311 PolarHBondContact O-N 2.75Å
312	D	31.8	Very low	40.9	Very low	160 Å²	160	139.8 Å²	139.8	86%	0.856	76%	0.759	S	S	*	*			trans	-130.4	80.1	144.8	-90.5	-38.5	0	0	0	108.1	S314	D312-S314 PolarHBondContact O-N 3.49Å
313	E	41.7	Very low	39.6	Very low	197 Å²	197	145.5 Å²	145.5	92%	0.921	78%	0.783	S	S	*	*			trans	-59.2	87.4	152.4	-77.9	-92.2	169.3	0	0	107.5
314	S	33.5	Very low	38.2	Very low	95 Å²	95	150 Å²	150	66%	0.664	80%	0.795	S	S	*	*			trans	-111.3	91.1	167.1	-165.9	0	0	0	0	109.5	D312 S316	D312-S314 PolarHBondContact O-N 3.49Å; S314-S316 PolarHBondContact O-N 2.68Å; S314-S316 PolarHBondContact O-OG 3.27Å
315	D	44	Very low	37.4	Very low	151 Å²	151	149 Å²	149	81%	0.807	80%	0.801	S	S	*	*			trans	-32.7	113.9	157.9	-154.7	6.7	0	0	0	111.4
316	S	30.6	Very low	37.2	Very low	104 Å²	104	154.3 Å²	154.3	73%	0.727	81%	0.814	S	S	*	*			trans	-145.2	93.1	167.6	36.2	0	0	0	0	109.7	S314 A318	S314-S316 PolarHBondContact O-N 2.68Å; S314-S316 PolarHBondContact O-OG 3.27Å; S316-A318 PolarHBondContact O-N 2.7Å
317	D	42.9	Very low	37	Very low	162 Å²	162	160.3 Å²	160.3	87%	0.866	82%	0.821	S	S	*	*			trans	-48.3	112.1	158.4	-94.7	-27.9	0	0	0	110.2
318	A	32.6	Very low	37.6	Very low	93 Å²	93	164.6 Å²	164.6	77%	0.769	83%	0.826	S	S	*	*			trans	-147.9	97.6	158.7	0	0	0	0	0	108.3	S316 E320	S316-A318 PolarHBondContact O-N 2.7Å; A318-E320 PolarHBondContact O-N 3.3Å
319	E	42.1	Very low	37.9	Very low	195 Å²	195	168.6 Å²	168.6	91%	0.911	83%	0.83	S	S	*	*			trans	-60.7	119.2	160.6	-67.2	-165.3	151.1	0	0	108.9
320	E	34.4	Very low	38.1	Very low	194 Å²	194	168.2 Å²	168.2	91%	0.907	82%	0.824	S	S	*	*			trans	-152.7	137	149.4	-116.7	177.9	-160.8	0	0	111.2	A318	A318-E320 PolarHBondContact O-N 3.3Å
321	E	38.9	Very low	38.7	Very low	192 Å²	192	165.8 Å²	165.8	90%	0.897	82%	0.82	S	S	*	*			trans	-58.8	129	-167.4	-65.9	169.6	122.5	0	0	114.1
322	Q	32.5	Very low	39.4	Very low	164 Å²	164	164.1 Å²	164.1	77%	0.766	82%	0.816	S	S	*	*			trans	-137.2	115.2	151	-76.4	-169.4	-0.2	0	0	111.5	K324	Q322-K324 PolarHBondContact O-N 3.29Å; Q322-K324 VanDerWaalsContact O-N 3.16Å
323	E	39.5	Very low	40.6	Very low	199 Å²	199	158.4 Å²	158.4	93%	0.93	80%	0.795	S	S	*	*			trans	-44	109.7	164.4	-65.5	177.6	128.4	0	0	112.3
324	K	30.8	Very low	41.5	Very low	159 Å²	159	150.3 Å²	150.3	69%	0.691	76%	0.764	S	S	*	*			trans	-139.7	105.4	163.4	-74.3	-173.7	-179.7	156.5	0	112.2	Q322	Q322-K324 PolarHBondContact O-N 3.29Å; Q322-K324 VanDerWaalsContact O-N 3.16Å
325	T	36.3	Very low	42.9	Very low	128 Å²	128	150.8 Å²	150.8	79%	0.785	76%	0.756	S	S	*	*			trans	14.8	117.1	136.1	51.3	0	0	0	0	117.1	R327	T325-R327 PolarHBondContact O-N 3.29Å
326	K	40.9	Very low	44	Very low	216 Å²	216	146.9 Å²	146.9	94%	0.939	73%	0.734	S	S	*	*			trans	-23.5	93.4	166.8	-65.7	175.2	177.3	175.8	0	114.4	R328	K326-R328 PolarHBondContact O-N 3.29Å
327	R	39.5	Very low	46	Very low	244 Å²	244	145.2 Å²	145.2	92%	0.921	72%	0.717	S	S	*	*			trans	-80.7	111	164.6	-88.1	-177.7	169.5	-179.9	-3.9	109.8	T325	T325-R327 PolarHBondContact O-N 3.29Å
328	R	44.9	Very low	47.5	Very low	240 Å²	240	141.7 Å²	141.7	91%	0.906	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-58.6	136.3	163.4	-82.5	176.1	161	177	-5.6	109.3	K326	K326-R328 PolarHBondContact O-N 3.29Å
329	R	42	Very low	49.6	Very low	239 Å²	239	142.7 Å²	142.7	90%	0.902	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-54.3	132.8	163.2	-75.7	177.7	177.3	173.7	-2	108.8	T331	R329-T331 PolarHBondContact O-N 2.8Å
330	P	41.9	Very low	51.4	Low	98 Å²	98	136.6 Å²	136.6	64%	0.636	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-65.3	129	175.6	-9.3	23.4	0	0	0	108.8
331	T	52.5	Low	53.5	Low	109 Å²	109	135.3 Å²	135.3	67%	0.669	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-70.2	148.3	168.3	47.2	0	0	0	0	109.1	R329 G333 G334	R329-T331 PolarHBondContact O-N 2.8Å; T331-G333 PolarHBondContact O-N 3.48Å; T331-G334 PolarHBondContact O-N 3.37Å
332	T	53.9	Low	55.5	Low	108 Å²	108	132.4 Å²	132.4	66%	0.663	63%	0.627	S	S	*	*	H	α-helix	trans	-52.3	-26.5	-178.1	-39.5	0	0	0	0	113.6	L336	T332-L336 PolarHBondContact O-N 3.02Å
333	G	56.4	Low	57.7	Low	40 Å²	40	126 Å²	126	41%	0.412	60%	0.598	S	S	.	*	H	α-helix	trans	-66.1	-38.8	172.4	0	0	0	0	0	114.2	T331 Q335 L336 D337	T331-G333 PolarHBondContact O-N 3.48Å; G333-Q335 VanDerWaalsContact C-N 3.32Å; G333-Q335 PolarHBondContact O-N 3.14Å; G333-L336 PolarHBondContact O-N 3.5Å; G333-D337 PolarHBondContact O-N 3.06Å; G333-D337 VanDerWaalsContact O-N 3.08Å
334	G	61.1	Low	59.8	Low	27 Å²	27	117.4 Å²	117.4	28%	0.278	56%	0.558	S	S	.	*	H	α-helix	trans	-65.7	-34.1	177.8	0	0	0	0	0	113	T331 D337 D338	T331-G334 PolarHBondContact O-N 3.37Å; G334-D337 PolarHBondContact O-N 2.62Å; G334-D338 VanDerWaalsContact O-CG 3.27Å; G334-D338 PolarHBondContact O-N 3.36Å
335	Q	63	Low	62.4	Low	104 Å²	104	114 Å²	114	49%	0.486	54%	0.544	S	S	.	.	H	α-helix	trans	-68.7	-31.9	175	-69.6	-177.1	-16.1	0	0	113.1	G333 K339	G333-Q335 VanDerWaalsContact C-N 3.32Å; G333-Q335 PolarHBondContact O-N 3.14Å; Q335-K339 WeakPolarHBondContact O-CB 3.49Å; Q335-K339 VanDerWaalsContact O-CG 3.26Å; Q335-K339 WeakPolarHBondContact O-CG 3.35Å; Q335-K339 PolarHBondContact O-N 3.04Å
336	L	68.2	Low	64.7	Low	69 Å²	69	111.4 Å²	111.4	36%	0.361	52%	0.519	S	S	.	.	H	α-helix	trans	-74.8	-38.6	175.6	-71.6	172.1	0	0	0	111.2	T332 G333 K339 R340	T332-L336 PolarHBondContact O-N 3.02Å; G333-L336 PolarHBondContact O-N 3.5Å; L336-K339 PolarHBondContact O-N 2.98Å; L336-R340 VanDerWaalsContact O-CG 3.24Å; L336-R340 WeakPolarHBondContact O-CG 3.49Å; L336-R340 PolarHBondContact O-N 3.4Å
337	D	71.3	Confident	66.9	Low	69 Å²	69	102.2 Å²	102.2	37%	0.369	48%	0.48	S	S	.	.	H	α-helix	trans	-67.9	-35.3	176.4	-72.1	-23.7	0	0	0	112.8	G333 G334 R340 R341	G333-D337 PolarHBondContact O-N 3.06Å; G333-D337 VanDerWaalsContact O-N 3.08Å; G334-D337 PolarHBondContact O-N 2.62Å; D337-R340 PolarHBondContact O-N 2.98Å; D337-R340 IonicContact OD1-CZ 3.43Å; D337-R340 IonicContact OD1-NH1 3.15Å; D337-R340 PolarHBondContact OD1-NH1 3.47Å; D337-R341 PolarHBondContact O-N 3.45Å
338	D	75.1	Confident	69	Low	88 Å²	88	91.7 Å²	91.7	47%	0.471	44%	0.443	S	S	.	.	H	α-helix	trans	-67.4	-41.2	172.7	-69.2	-19.7	0	0	0	111.4	G334 R340 R341 E342	G334-D338 VanDerWaalsContact O-CG 3.27Å; G334-D338 PolarHBondContact O-N 3.36Å; D338-R340 VanDerWaalsContact C-N 3.33Å; D338-R340 PolarHBondContact O-N 3.09Å; D338-R341 PolarHBondContact O-N 2.99Å; D338-R341 IonicContact OD1-CZ 2.64Å; D338-R341 IonicContact OD1-NE 3.36Å; D338-R341 IonicContact OD1-NH2 3.67Å; D338-R341 PolarHBondContact OD1-NH2 3.41Å; D338-E342 WeakPolarHBondContact O-CB 3.41Å; D338-E342 PolarHBondContact O-N 3.45Å
339	K	76.5	Confident	71.1	Confident	115 Å²	115	80.2 Å²	80.2	50%	0.5	40%	0.4	S	S	.	.	H	α-helix	trans	-62.6	-36.9	172.1	-75.7	173.6	-179.1	178	0	112.9	Q335 L336 E342 M343 V428	Q335-K339 WeakPolarHBondContact O-CB 3.49Å; Q335-K339 VanDerWaalsContact O-CG 3.26Å; Q335-K339 WeakPolarHBondContact O-CG 3.35Å; Q335-K339 PolarHBondContact O-N 3.04Å; L336-K339 PolarHBondContact O-N 2.98Å; K339-E342 PolarHBondContact O-N 2.93Å; K339-M343 WeakPolarHBondContact O-CB 3.31Å; K339-M343 WeakPolarHBondContact O-CG 3.45Å; K339-M343 PolarHBondContact O-N 3.29Å; K339-V428 HydrophobicContact CB-CG1 4.31Å
340	R	79.3	Confident	73.3	Confident	66 Å²	66	69.6 Å²	69.6	25%	0.249	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-47.3	175	-73.5	167.4	177.8	174.4	-13	111	L336 D337 D338 E342 M343 L344 V428 G429 I430	L336-R340 VanDerWaalsContact O-CG 3.24Å; L336-R340 WeakPolarHBondContact O-CG 3.49Å; L336-R340 PolarHBondContact O-N 3.4Å; D337-R340 PolarHBondContact O-N 2.98Å; D337-R340 IonicContact OD1-CZ 3.43Å; D337-R340 IonicContact OD1-NH1 3.15Å; D337-R340 PolarHBondContact OD1-NH1 3.47Å; D338-R340 VanDerWaalsContact C-N 3.33Å; D338-R340 PolarHBondContact O-N 3.09Å; R340-E342 VanDerWaalsContact C-N 3.3Å; R340-E342 PolarHBondContact O-N 3.22Å; R340-M343 PolarHBondContact O-N 3.45Å; R340-L344 WeakPolarHBondContact O-CB 3.22Å; R340-L344 WeakPolarHBondContact O-CG 3.48Å; R340-L344 PolarHBondContact O-N 3.4Å; R340-V428 HydrophobicContact CG-CB 4.19Å; R340-V428 HydrophobicContact CG-CG2 4.37Å; R340-V428 PolarHBondContact NE-O 3.22Å; R340-G429 PolarHBondContact NH2-O 3.38Å; R340-I430 HydrophobicContact CG-CD1 4.16Å; R340-I430 HydrophobicContact CG-CG1 4.16Å
341	R	78.7	Confident	75.6	Confident	167 Å²	167	64.9 Å²	64.9	63%	0.63	33%	0.332	S	S	*	.	H	α-helix	trans	-60.4	-40.7	175.9	-80.7	-171.7	-82.9	-116.4	-0.1	112.2	D337 D338 L344 K345	D337-R341 PolarHBondContact O-N 3.45Å; D338-R341 PolarHBondContact O-N 2.99Å; D338-R341 IonicContact OD1-CZ 2.64Å; D338-R341 IonicContact OD1-NE 3.36Å; D338-R341 IonicContact OD1-NH2 3.67Å; D338-R341 PolarHBondContact OD1-NH2 3.41Å; R341-L344 CarbonylContact O-C 3.06Å; R341-L344 PolarHBondContact O-N 2.82Å; R341-K345 PolarHBondContact O-N 3.11Å; R341-K345 VanDerWaalsContact O-N 3.14Å
342	E	81.3	Confident	77.3	Confident	131 Å²	131	60 Å²	60	61%	0.612	30%	0.301	S	S	*	.	H	α-helix	trans	-66.2	-43.2	177	-170.7	156.7	-153.3	0	0	111.6	D338 K339 R340 L344 K345 N372	D338-E342 WeakPolarHBondContact O-CB 3.41Å; D338-E342 PolarHBondContact O-N 3.45Å; K339-E342 PolarHBondContact O-N 2.93Å; R340-E342 VanDerWaalsContact C-N 3.3Å; R340-E342 PolarHBondContact O-N 3.22Å; E342-L344 VanDerWaalsContact C-N 3.33Å; E342-L344 PolarHBondContact O-N 3.43Å; E342-K345 WeakPolarHBondContact O-CB 3.43Å; E342-K345 PolarHBondContact O-N 3.39Å; E342-N372 PolarHBondContact O-ND2 3.49Å
343	M	79.5	Confident	79	Confident	29 Å²	29	54.8 Å²	54.8	14%	0.143	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-36.5	173.6	-82.9	-170.6	56.4	0	0	113.8	K339 R340 K345 L373 Q424 F425 V428	K339-M343 WeakPolarHBondContact O-CB 3.31Å; K339-M343 WeakPolarHBondContact O-CG 3.45Å; K339-M343 PolarHBondContact O-N 3.29Å; R340-M343 PolarHBondContact O-N 3.45Å; M343-K345 PolarHBondContact O-N 3.29Å; M343-L373 HydrophobicContact CE-CD2 3.78Å; M343-Q424 HydrophobicContact CE-CB 3.54Å; M343-F425 HydrophobicContact CE-CD1 4.07Å; M343-F425 HydrophobicContact CE-CE1 4.36Å; M343-V428 HydrophobicContact CE-CG2 4.06Å; M343-V428 HydrophobicContact SD-CB 4.07Å; M343-V428 HydrophobicContact SD-CG1 3.37Å; M343-V428 WeakPolarHBondContact SD-CG1 3.33Å; M343-V428 HydrophobicContact SD-CG2 3.54Å; M343-V428 VanDerWaalsContact SD-CG2 3.54Å
344	L	83.1	Confident	80.6	Confident	19 Å²	19	54.4 Å²	54.4	10%	0.099	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.2	179.2	-60.2	175.6	0	0	0	113.1	R340 R341 E342 R346 L373 F433 Y436 L440	R340-L344 WeakPolarHBondContact O-CB 3.22Å; R340-L344 WeakPolarHBondContact O-CG 3.48Å; R340-L344 PolarHBondContact O-N 3.4Å; R341-L344 CarbonylContact O-C 3.06Å; R341-L344 PolarHBondContact O-N 2.82Å; E342-L344 VanDerWaalsContact C-N 3.33Å; E342-L344 PolarHBondContact O-N 3.43Å; L344-R346 PolarHBondContact O-N 3.49Å; L344-L373 HydrophobicContact CD2-CD1 3.94Å; L344-F433 HydrophobicContact CD2-CE2 4.36Å; L344-Y436 HydrophobicContact CD1-CD1 3.62Å; L344-Y436 HydrophobicContact CD1-CD2 4.26Å; L344-Y436 HydrophobicContact CD1-CE1 3.77Å; L344-Y436 HydrophobicContact CD1-CE2 4.37Å; L344-Y436 HydrophobicContact CD1-CG 3.88Å; L344-L440 HydrophobicContact CB-CD1 4.22Å; L344-L440 HydrophobicContact CD1-CD1 4.4Å; L344-L440 HydrophobicContact CD2-CD1 3.77Å; L344-L440 HydrophobicContact CG-CD1 4.33Å
345	K	84.9	Confident	81.8	Confident	89 Å²	89	53.2 Å²	53.2	39%	0.387	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-60.9	124.8	-178.6	-170.7	175.9	-178.4	-179	0	111.1	R341 E342 M343	R341-K345 PolarHBondContact O-N 3.11Å; R341-K345 VanDerWaalsContact O-N 3.14Å; E342-K345 WeakPolarHBondContact O-CB 3.43Å; E342-K345 PolarHBondContact O-N 3.39Å; M343-K345 PolarHBondContact O-N 3.29Å
346	R	85.6	Confident	83	Confident	72 Å²	72	52.8 Å²	52.8	27%	0.272	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-80.5	149.3	174.5	-60.3	-177.3	-157.3	172.6	14.6	110.4	L344 L370 E439 L440	L344-R346 PolarHBondContact O-N 3.49Å; R346-L370 HydrophobicContact CG-CD2 3.77Å; R346-E439 PolarHBondContact NH1-O 3.41Å; R346-E439 PolarHBondContact NH2-O 3.47Å; R346-E439 IonicContact NH2-OE1 3.38Å; R346-E439 PolarHBondContact NH2-OE1 2.93Å; R346-L440 HydrophobicContact CG-CD2 4.14Å
347	H	85.4	Confident	83.6	Confident	23 Å²	23	49.8 Å²	49.8	11%	0.106	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-65.5	137	163.9	-168.9	-90.7	0	0	0	110.2	P267 L349 Y369 M371	P267-H347 VanDerWaalsContact CD-CE1 3.45Å; P267-H347 WeakPolarHBondContact CD-CE1 3.31Å; P267-H347 HydrophobicContact CG-CB 4.17Å; P267-H347 WeakPolarHBondContact CG-CD2 3.39Å; P267-H347 VanDerWaalsContact CG-CG 3.42Å; H347-L349 VanDerWaalsContact C-N 3.25Å; H347-L349 PolarHBondContact ND1-N 3.48Å; H347-L349 PolarHBondContact ND1-O 2.87Å; H347-L349 VanDerWaalsContact ND1-O 3.08Å; H347-L349 PolarHBondContact O-N 3.25Å; H347-Y369 HydrophobicContact CB-CD1 4.25Å; H347-Y369 WeakPolarHBondContact CB-O 3.28Å; H347-Y369 PolarHBondContact N-O 3.11Å; H347-M371 HydrophobicContact CB-CE 4.15Å
348	P	84.9	Confident	84	Confident	23 Å²	23	56.3 Å²	56.3	15%	0.149	25%	0.253	C	S	.	.	S	Bend	trans	-65.3	-27.8	-177.3	24.1	-34.8	0	0	0	113.3	G294 E298 A299 L302	G294-P348 VanDerWaalsContact CA-O 3.29Å; G294-P348 WeakPolarHBondContact CA-O 3.39Å; E298-P348 HydrophobicContact CB-CB 4.03Å; E298-P348 HydrophobicContact CB-CG 4.18Å; E298-P348 HydrophobicContact CG-CB 4.16Å; E298-P348 HydrophobicContact CG-CG 4.16Å; A299-P348 HydrophobicContact CB-CG 4.1Å; L302-P348 HydrophobicContact CD1-CG 3.66Å
349	L	87.9	Confident	83.8	Confident	0 Å²	0	55 Å²	55	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.9	169.4	-55.9	176.7	0	0	0	111.5	H265 L266 C293 D295 V296 A299 H347	H265-L349 HydrophobicContact CB-CD1 4.01Å; L266-L349 HydrophobicContact CD2-CB 3.78Å; L266-L349 HydrophobicContact CD2-CD1 3.96Å; C293-L349 WeakPolarHBondContact O-CA 3.39Å; D295-L349 WeakPolarHBondContact O-CD2 3.39Å; V296-L349 HydrophobicContact CG2-CD2 4.42Å; A299-L349 HydrophobicContact CB-CD1 3.58Å; A299-L349 HydrophobicContact CB-CD2 4.19Å; A299-L349 HydrophobicContact CB-CG 3.6Å; H347-L349 VanDerWaalsContact C-N 3.25Å; H347-L349 PolarHBondContact ND1-N 3.48Å; H347-L349 PolarHBondContact ND1-O 2.87Å; H347-L349 VanDerWaalsContact ND1-O 3.08Å; H347-L349 PolarHBondContact O-N 3.25Å
350	S	88.1	Confident	83.8	Confident	15 Å²	15	51.1 Å²	51.1	11%	0.105	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	163.2	174.3	54.7	0	0	0	0	110	C293 F367 F368	C293-S350 PolarHBondContact N-O 3.38Å; C293-S350 PolarHBondContact O-N 2.84Å; C293-S350 PolarHBondContact O-OG 3.5Å; C293-S350 VanDerWaalsContact O-OG 3.11Å; S350-F367 WeakPolarHBondContact CA-O 3.43Å; S350-F367 VanDerWaalsContact CB-O 3.27Å; S350-F367 WeakPolarHBondContact CB-O 3.37Å; S350-F368 VanDerWaalsContact CB-CD1 3.49Å
351	L	89.9	Confident	84	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.4	-177.3	-174	145.5	0	0	0	109.8	L270 L273 F274 V290 L353 F367	L270-L351 HydrophobicContact CD2-CB 4.17Å; L273-L351 HydrophobicContact CD2-CD2 3.98Å; L273-L351 HydrophobicContact CG-CD2 4.33Å; F274-L351 HydrophobicContact CB-CD1 3.56Å; F274-L351 HydrophobicContact CD2-CD1 4.02Å; F274-L351 HydrophobicContact CG-CD1 4.29Å; V290-L351 HydrophobicContact CG1-CD1 4.24Å; V290-L351 HydrophobicContact CG1-CD2 4.13Å; V290-L351 HydrophobicContact CG1-CG 4.2Å; L351-L353 HydrophobicContact CD2-CB 4.5Å; L351-L353 HydrophobicContact CD2-CD1 3.37Å; L351-L353 HydrophobicContact CD2-CD2 4.45Å; L351-L353 HydrophobicContact CD2-CG 3.47Å; L351-L353 VanDerWaalsContact CD2-CG 3.47Å; L351-F367 HydrophobicContact CB-CB 4.33Å; L351-F367 HydrophobicContact CD2-CD2 3.95Å; L351-F367 PolarHBondContact N-O 2.85Å; L351-F367 PolarHBondContact O-N 2.93Å
352	S	89.8	Confident	84.4	Confident	5 Å²	5	41.7 Å²	41.7	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.1	177.2	-171.3	0	0	0	0	110	S291 L365 Y366	S291-S352 PolarHBondContact N-O 2.9Å; S291-S352 PolarHBondContact O-N 3.04Å; S291-S352 WeakPolarHBondContact OG-CB 3.31Å; S352-L365 CarbonylContact C-O 3.58Å; S352-L365 WeakPolarHBondContact CA-O 3.09Å; S352-Y366 VanDerWaalsContact OG-CE1 3.24Å; S352-Y366 WeakPolarHBondContact OG-CE1 3.3Å
353	L	89.9	Confident	84.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.5	178.4	-85.1	158.4	0	0	0	109.1	L273 A277 L288 V290 L351 L365 F367	L273-L353 HydrophobicContact CD1-CD1 4.5Å; L273-L353 HydrophobicContact CD2-CD1 4.38Å; L273-L353 HydrophobicContact CG-CD1 4.39Å; A277-L353 HydrophobicContact CB-CD1 4.34Å; A277-L353 HydrophobicContact CB-CD2 3.65Å; L288-L353 HydrophobicContact CD1-CD2 4.5Å; L288-L353 HydrophobicContact CD2-CD2 3.85Å; L288-L353 HydrophobicContact CG-CD2 4.34Å; V290-L353 HydrophobicContact CB-CD2 4.22Å; V290-L353 HydrophobicContact CG1-CD2 4.03Å; V290-L353 HydrophobicContact CG1-CG 4.4Å; V290-L353 HydrophobicContact CG2-CD2 3.61Å; L351-L353 HydrophobicContact CD2-CB 4.5Å; L351-L353 HydrophobicContact CD2-CD1 3.37Å; L351-L353 HydrophobicContact CD2-CD2 4.45Å; L351-L353 HydrophobicContact CD2-CG 3.47Å; L351-L353 VanDerWaalsContact CD2-CG 3.47Å; L353-L365 HydrophobicContact CB-CB 4.08Å; L353-L365 HydrophobicContact CB-CD1 4.4Å; L353-L365 PolarHBondContact N-O 3.36Å; L353-L365 WeakPolarHBondContact O-CB 3.14Å; L353-L365 PolarHBondContact O-N 3.13Å; L353-F367 HydrophobicContact CB-CE2 4.03Å; L353-F367 HydrophobicContact CD1-CD2 3.78Å; L353-F367 HydrophobicContact CD1-CE2 3.27Å; L353-F367 HydrophobicContact CD1-CZ 4.07Å; L353-F367 HydrophobicContact CG-CE2 4.14Å
354	D	88.6	Confident	85.2	Confident	32 Å²	32	35.7 Å²	35.7	17%	0.171	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.5	178.5	-54.2	-35.8	0	0	0	109.7	S289 T362 L363 H364	S289-D354 PolarHBondContact N-O 3.47Å; S289-D354 PolarHBondContact O-N 2.91Å; S289-D354 WeakPolarHBondContact OG-CB 3.48Å; D354-T362 HydrophobicContact CB-CG2 4.06Å; D354-L363 WeakPolarHBondContact CA-O 3.27Å; D354-H364 VanDerWaalsContact CG-ND1 3.26Å; D354-H364 IonicContact OD1-CE1 3.73Å; D354-H364 IonicContact OD1-CG 3.27Å; D354-H364 IonicContact OD1-ND1 3.63Å; D354-H364 PolarHBondContact OD1-ND1 3.42Å; D354-H364 IonicContact OD2-ND1 2.9Å
355	L	87.1	Confident	85.6	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	110.1	-179.7	-68.8	171.1	0	0	0	109.7	L288 T362 L363 L365 M478 L481	L288-L355 HydrophobicContact CB-CD2 3.97Å; L288-L355 HydrophobicContact CD1-CD2 3.46Å; L288-L355 VanDerWaalsContact CD1-CD2 3.46Å; L288-L355 HydrophobicContact CG-CD2 3.68Å; L355-T362 WeakPolarHBondContact O-CA 3.3Å; L355-L363 HydrophobicContact CB-CB 4.33Å; L355-L363 HydrophobicContact CD1-CD2 4.24Å; L355-L363 PolarHBondContact N-O 3.46Å; L355-L363 PolarHBondContact O-N 3.46Å; L355-L365 HydrophobicContact CD1-CD1 3.95Å; L355-M478 HydrophobicContact CD1-SD 3.68Å; L355-M478 HydrophobicContact CD2-SD 3.86Å; L355-M478 HydrophobicContact CG-SD 4.33Å; L355-L481 HydrophobicContact CD1-CB 4.32Å; L355-L481 HydrophobicContact CD1-CD1 4.18Å
356	Q	87.3	Confident	85.9	Confident	95 Å²	95	34 Å²	34	44%	0.444	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.8	175	-166.9	177.9	31.4	0	0	110.8	N287	N287-Q356 HydrophobicContact CB-CB 4.21Å; N287-Q356 PolarHBondContact O-N 2.87Å
357	C	82.3	Confident	86.2	Confident	7 Å²	7	30.6 Å²	30.6	5%	0.047	16%	0.157	C	C	.	.			trans	-89	159.5	176.7	-66.5	0	0	0	0	111.2	D359 G360 S361 L486	C357-D359 WeakPolarHBondContact CB-OD1 3.37Å; C357-D359 PolarHBondContact O-N 2.98Å; C357-G360 PolarHBondContact O-N 2.77Å; C357-G360 VanDerWaalsContact O-N 3.12Å; C357-S361 WeakPolarHBondContact CB-O 3.47Å; C357-S361 PolarHBondContact N-O 3.14Å; C357-L486 HydrophobicContact CB-CD2 4.23Å
358	K	78.4	Confident	86.4	Confident	206 Å²	206	31.1 Å²	31.1	90%	0.896	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-19.4	-176.9	-66.6	-175.6	178.1	-177.6	0	114	G360	K358-G360 VanDerWaalsContact C-N 3.27Å
359	D	71.5	Confident	86.7	Confident	59 Å²	59	31.2 Å²	31.2	32%	0.316	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.9	178.5	65	-17	0	0	0	113.2	C357 S361 L486 L489	C357-D359 WeakPolarHBondContact CB-OD1 3.37Å; C357-D359 PolarHBondContact O-N 2.98Å; D359-S361 VanDerWaalsContact C-N 3.32Å; D359-S361 VanDerWaalsContact CG-OG 3.28Å; D359-S361 VanDerWaalsContact OD1-CB 3.31Å; D359-S361 WeakPolarHBondContact OD1-CB 3.28Å; D359-S361 PolarHBondContact OD1-N 2.87Å; D359-S361 VanDerWaalsContact OD1-N 3.09Å; D359-S361 PolarHBondContact OD1-OG 2.87Å; D359-S361 PolarHBondContact OD2-OG 2.99Å; D359-L486 HydrophobicContact CB-CD2 4.35Å; D359-L489 WeakPolarHBondContact OD2-CD1 3.49Å
360	G	75.5	Confident	86.7	Confident	34 Å²	34	31.2 Å²	31.2	35%	0.351	16%	0.156	S	C	.	.	S	Bend	trans	84.5	1.7	-177.4	0	0	0	0	0	114.2	C357 K358	C357-G360 PolarHBondContact O-N 2.77Å; C357-G360 VanDerWaalsContact O-N 3.12Å; K358-G360 VanDerWaalsContact C-N 3.27Å
361	S	84.3	Confident	86.5	Confident	5 Å²	5	33 Å²	33	4%	0.035	16%	0.164	C	C	.	.			trans	-81.2	147.6	174.9	-52	0	0	0	0	111.1	C357 D359 S383 L489	C357-S361 WeakPolarHBondContact CB-O 3.47Å; C357-S361 PolarHBondContact N-O 3.14Å; D359-S361 VanDerWaalsContact C-N 3.32Å; D359-S361 VanDerWaalsContact CG-OG 3.28Å; D359-S361 VanDerWaalsContact OD1-CB 3.31Å; D359-S361 WeakPolarHBondContact OD1-CB 3.28Å; D359-S361 PolarHBondContact OD1-N 2.87Å; D359-S361 VanDerWaalsContact OD1-N 3.09Å; D359-S361 PolarHBondContact OD1-OG 2.87Å; D359-S361 PolarHBondContact OD2-OG 2.99Å; S361-S383 WeakPolarHBondContact CA-O 3.27Å; S361-L489 VanDerWaalsContact OG-CD1 3.31Å; S361-L489 WeakPolarHBondContact OG-CD1 3.25Å
362	T	87.5	Confident	86.2	Confident	31 Å²	31	36.4 Å²	36.4	19%	0.19	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.2	177.6	-51.4	0	0	0	0	110.4	D354 L355 S383	D354-T362 HydrophobicContact CB-CG2 4.06Å; L355-T362 WeakPolarHBondContact O-CA 3.3Å; T362-S383 PolarHBondContact N-O 3.06Å; T362-S383 PolarHBondContact O-N 3.3Å
363	L	88.4	Confident	85.9	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.4	171	173.2	68.4	0	0	0	109.1	D354 L355 L365 V382 L403 L481 V485	D354-L363 WeakPolarHBondContact CA-O 3.27Å; L355-L363 HydrophobicContact CB-CB 4.33Å; L355-L363 HydrophobicContact CD1-CD2 4.24Å; L355-L363 PolarHBondContact N-O 3.46Å; L355-L363 PolarHBondContact O-N 3.46Å; L363-L365 HydrophobicContact CD1-CD2 4.39Å; L363-L365 HydrophobicContact CD2-CD1 4.23Å; L363-L365 HydrophobicContact CD2-CD2 4.13Å; L363-L365 HydrophobicContact CD2-CG 4.23Å; L363-L365 HydrophobicContact CG-CD2 4.21Å; L363-L365 HydrophobicContact CG-CG 4.11Å; L363-V382 HydrophobicContact CD1-CG2 3.84Å; L363-L403 HydrophobicContact CD1-CD2 4.06Å; L363-L481 HydrophobicContact CD2-CB 4.27Å; L363-L481 HydrophobicContact CD2-CD2 4.48Å; L363-V485 HydrophobicContact CB-CG2 4.05Å; L363-V485 HydrophobicContact CD1-CG2 4.11Å; L363-V485 HydrophobicContact CD2-CG2 3.74Å; L363-V485 HydrophobicContact CG-CG2 4.17Å
364	H	89.7	Confident	85.7	Confident	32 Å²	32	39.1 Å²	39.1	15%	0.148	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127	174.9	-55.3	-77.7	0	0	0	109.8	D354 Y366 T380 R381 S383	D354-H364 VanDerWaalsContact CG-ND1 3.26Å; D354-H364 IonicContact OD1-CE1 3.73Å; D354-H364 IonicContact OD1-CG 3.27Å; D354-H364 IonicContact OD1-ND1 3.63Å; D354-H364 PolarHBondContact OD1-ND1 3.42Å; D354-H364 IonicContact OD2-ND1 2.9Å; H364-Y366 HydrophobicContact CB-CE2 4.04Å; H364-T380 CarbonylContact O-C 3.56Å; H364-T380 WeakPolarHBondContact O-CA 3.31Å; H364-R381 HydrophobicContact CB-CB 4.27Å; H364-R381 WeakPolarHBondContact CB-O 2.99Å; H364-R381 PolarHBondContact N-O 2.93Å; H364-R381 PolarHBondContact O-N 2.95Å; H364-S383 PolarHBondContact CD2-OG 2.79Å; H364-S383 PolarHBondContact NE2-OG 2.86Å
365	L	90.2	Very high	85.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.5	-179.7	-61.3	161.8	0	0	0	109	S352 L353 L355 L363 F367 V378 T380 L404 L481	S352-L365 CarbonylContact C-O 3.58Å; S352-L365 WeakPolarHBondContact CA-O 3.09Å; L353-L365 HydrophobicContact CB-CB 4.08Å; L353-L365 HydrophobicContact CB-CD1 4.4Å; L353-L365 PolarHBondContact N-O 3.36Å; L353-L365 WeakPolarHBondContact O-CB 3.14Å; L353-L365 PolarHBondContact O-N 3.13Å; L355-L365 HydrophobicContact CD1-CD1 3.95Å; L363-L365 HydrophobicContact CD1-CD2 4.39Å; L363-L365 HydrophobicContact CD2-CD1 4.23Å; L363-L365 HydrophobicContact CD2-CD2 4.13Å; L363-L365 HydrophobicContact CD2-CG 4.23Å; L363-L365 HydrophobicContact CG-CD2 4.21Å; L363-L365 HydrophobicContact CG-CG 4.11Å; L365-F367 HydrophobicContact CB-CD2 4.35Å; L365-F367 HydrophobicContact CB-CE2 3.57Å; L365-F367 HydrophobicContact CB-CZ 4.12Å; L365-F367 HydrophobicContact CD1-CE2 4.43Å; L365-F367 HydrophobicContact CD1-CZ 4.46Å; L365-V378 HydrophobicContact CB-CG2 4.27Å; L365-V378 HydrophobicContact CD2-CG2 4.08Å; L365-T380 HydrophobicContact CD2-CG2 3.9Å; L365-L404 HydrophobicContact CD2-CD1 3.69Å; L365-L481 HydrophobicContact CD1-CD1 3.99Å
366	Y	90.9	Very high	85.9	Confident	74 Å²	74	37.6 Å²	37.6	29%	0.29	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.3	177.1	-56.6	-78.2	0	0	0	109.6	S352 H364 V378 K379	S352-Y366 VanDerWaalsContact OG-CE1 3.24Å; S352-Y366 WeakPolarHBondContact OG-CE1 3.3Å; H364-Y366 HydrophobicContact CB-CE2 4.04Å; Y366-V378 CarbonylContact O-C 3.59Å; Y366-V378 VanDerWaalsContact O-CA 3.3Å; Y366-V378 WeakPolarHBondContact O-CA 3.4Å; Y366-K379 PolarHBondContact N-O 2.59Å; Y366-K379 PolarHBondContact O-N 2.86Å
367	F	92	Very high	86	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.6	178.8	-64.2	-89.5	0	0	0	110.4	L270 L273 S350 L351 L353 L365 T377 V378 W446 V447	L270-F367 HydrophobicContact CD2-CB 4.06Å; L273-F367 HydrophobicContact CD2-CB 4.07Å; L273-F367 HydrophobicContact CD2-CD1 3.84Å; L273-F367 HydrophobicContact CD2-CD2 3.91Å; L273-F367 HydrophobicContact CD2-CE1 4.23Å; L273-F367 HydrophobicContact CD2-CE2 4.33Å; L273-F367 HydrophobicContact CD2-CG 3.65Å; L273-F367 HydrophobicContact CD2-CZ 4.46Å; S350-F367 WeakPolarHBondContact CA-O 3.43Å; S350-F367 VanDerWaalsContact CB-O 3.27Å; S350-F367 WeakPolarHBondContact CB-O 3.37Å; L351-F367 HydrophobicContact CB-CB 4.33Å; L351-F367 HydrophobicContact CD2-CD2 3.95Å; L351-F367 PolarHBondContact N-O 2.85Å; L351-F367 PolarHBondContact O-N 2.93Å; L353-F367 HydrophobicContact CB-CE2 4.03Å; L353-F367 HydrophobicContact CD1-CD2 3.78Å; L353-F367 HydrophobicContact CD1-CE2 3.27Å; L353-F367 HydrophobicContact CD1-CZ 4.07Å; L353-F367 HydrophobicContact CG-CE2 4.14Å; L365-F367 HydrophobicContact CB-CD2 4.35Å; L365-F367 HydrophobicContact CB-CE2 3.57Å; L365-F367 HydrophobicContact CB-CZ 4.12Å; L365-F367 HydrophobicContact CD1-CE2 4.43Å; L365-F367 HydrophobicContact CD1-CZ 4.46Å; F367-T377 CarbonylContact C-O 3.57Å; F367-T377 VanDerWaalsContact CA-O 3.31Å; F367-T377 WeakPolarHBondContact CA-O 3.33Å; F367-V378 HydrophobicContact CD1-CB 4.12Å; F367-V378 HydrophobicContact CD1-CG2 4.05Å; F367-V378 HydrophobicContact CE1-CB 4.05Å; F367-V378 HydrophobicContact CE1-CG2 3.8Å; F367-V378 HydrophobicContact CE2-CG2 4.36Å; F367-V378 HydrophobicContact CG-CG2 4.48Å; F367-V378 HydrophobicContact CZ-CG2 3.97Å; F367-W446 HydrophobicContact CE1-CZ3 4.39Å; F367-W446 HydrophobicContact CZ-CZ3 4.4Å; F367-V447 HydrophobicContact CD1-CG1 3.72Å; F367-V447 HydrophobicContact CE1-CB 4.46Å; F367-V447 HydrophobicContact CE1-CG1 3.76Å; F367-V447 HydrophobicContact CE1-CG2 4.1Å
368	F	91	Very high	86.4	Confident	34 Å²	34	32.7 Å²	32.7	15%	0.149	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	152.3	173.5	-52.3	-74.9	0	0	0	110	S350 L376 T377 K379	S350-F368 VanDerWaalsContact CB-CD1 3.49Å; F368-L376 CarbonylContact O-C 3.58Å; F368-L376 WeakPolarHBondContact O-CA 3.5Å; F368-T377 WeakPolarHBondContact CB-OG1 3.28Å; F368-T377 PolarHBondContact N-O 3.35Å; F368-T377 PolarHBondContact O-N 3.01Å; F368-K379 HydrophobicContact CD2-CG 4.47Å; F368-K379 HydrophobicContact CE2-CB 4.13Å; F368-K379 HydrophobicContact CE2-CD 3.97Å; F368-K379 HydrophobicContact CE2-CG 3.87Å
369	Y	91.1	Very high	86.9	Confident	25 Å²	25	26.1 Å²	26.1	10%	0.098	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127	176.3	-178.6	-113.4	0	0	0	110.4	P267 P269 H347 M371 N374 L376	P267-Y369 HydrophobicContact CB-CD1 3.53Å; P267-Y369 HydrophobicContact CB-CE1 3.75Å; P267-Y369 HydrophobicContact CB-CG 4.14Å; P267-Y369 HydrophobicContact CG-CD1 3.62Å; P267-Y369 HydrophobicContact CG-CE1 4.22Å; P267-Y369 HydrophobicContact CG-CG 4.29Å; P269-Y369 HydrophobicContact CB-CD2 4.47Å; P269-Y369 HydrophobicContact CB-CE2 4.33Å; P269-Y369 HydrophobicContact CG-CD2 4.31Å; P269-Y369 HydrophobicContact CG-CE2 3.73Å; H347-Y369 HydrophobicContact CB-CD1 4.25Å; H347-Y369 WeakPolarHBondContact CB-O 3.28Å; H347-Y369 PolarHBondContact N-O 3.11Å; Y369-M371 HydrophobicContact CD1-CB 4.45Å; Y369-M371 HydrophobicContact CE1-CB 4.14Å; Y369-N374 PolarHBondContact OH-OD1 3.23Å; Y369-L376 HydrophobicContact CD2-CD2 3.73Å; Y369-L376 HydrophobicContact CD2-CG 4.16Å; Y369-L376 HydrophobicContact CG-CD2 4.27Å
370	L	87.3	Confident	87.7	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	102.9	175.1	-61.7	176.9	0	0	0	108.2	R346 N372 L373 N374 I375 T377 F433 L440	R346-L370 HydrophobicContact CG-CD2 3.77Å; L370-N372 PolarHBondContact O-N 3.22Å; L370-L373 HydrophobicContact CB-CB 4.05Å; L370-L373 HydrophobicContact CD1-CD1 3.97Å; L370-L373 PolarHBondContact O-N 3.23Å; L370-N374 WeakPolarHBondContact O-CA 3.45Å; L370-N374 PolarHBondContact O-N 2.95Å; L370-I375 PolarHBondContact N-O 2.79Å; L370-I375 PolarHBondContact O-N 3.39Å; L370-T377 HydrophobicContact CD1-CG2 4.02Å; L370-F433 HydrophobicContact CD1-CE2 4.28Å; L370-F433 HydrophobicContact CD1-CZ 4.09Å; L370-L440 HydrophobicContact CD1-CD1 4.19Å; L370-L440 HydrophobicContact CD2-CD2 4.14Å
371	M	84.4	Confident	88.1	Confident	52 Å²	52	29.3 Å²	29.3	26%	0.256	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-39.8	-170.5	59.6	-173.7	72.8	0	0	113.3	H347 Y369	H347-M371 HydrophobicContact CB-CE 4.15Å; Y369-M371 HydrophobicContact CD1-CB 4.45Å; Y369-M371 HydrophobicContact CE1-CB 4.14Å
372	N	84.1	Confident	88.1	Confident	72 Å²	72	30.7 Å²	30.7	39%	0.385	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-25.7	-176.2	-67.8	-26.5	0	0	0	113.1	E342 L370 Q424	E342-N372 PolarHBondContact O-ND2 3.49Å; L370-N372 PolarHBondContact O-N 3.22Å; N372-Q424 PolarHBondContact O-OE1 2.9Å
373	L	82.2	Confident	87.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-11.2	178	-62.5	-172.3	0	0	0	113	M343 L344 L370 I375 N421 F425 F433	M343-L373 HydrophobicContact CE-CD2 3.78Å; L344-L373 HydrophobicContact CD2-CD1 3.94Å; L370-L373 HydrophobicContact CB-CB 4.05Å; L370-L373 HydrophobicContact CD1-CD1 3.97Å; L370-L373 PolarHBondContact O-N 3.23Å; L373-I375 VanDerWaalsContact C-N 3.33Å; L373-I375 WeakPolarHBondContact O-CG1 3.28Å; L373-I375 PolarHBondContact O-N 2.93Å; L373-N421 HydrophobicContact CD2-CB 4.49Å; L373-N421 PolarHBondContact O-ND2 3.28Å; L373-N421 PolarHBondContact O-OD1 3.4Å; L373-F425 HydrophobicContact CD1-CE1 3.91Å; L373-F425 HydrophobicContact CD1-CZ 3.91Å; L373-F425 HydrophobicContact CD2-CE1 3.78Å; L373-F425 HydrophobicContact CD2-CZ 4.25Å; L373-F433 HydrophobicContact CD1-CE2 4.13Å
374	N	87.2	Confident	87.3	Confident	61 Å²	61	33.3 Å²	33.3	33%	0.326	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	51.2	-174.9	-169.9	20	0	0	0	112.6	Y369 L370	Y369-N374 PolarHBondContact OH-OD1 3.23Å; L370-N374 WeakPolarHBondContact O-CA 3.45Å; L370-N374 PolarHBondContact O-N 2.95Å
375	I	89	Confident	86.1	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.2	-177.8	-76.3	176.9	0	0	0	109.5	L370 L373 T377 T416 N418 N421 P443	L370-I375 PolarHBondContact N-O 2.79Å; L370-I375 PolarHBondContact O-N 3.39Å; L373-I375 VanDerWaalsContact C-N 3.33Å; L373-I375 WeakPolarHBondContact O-CG1 3.28Å; L373-I375 PolarHBondContact O-N 2.93Å; I375-T377 HydrophobicContact CG2-CG2 4.27Å; I375-T416 HydrophobicContact CD1-CG2 3.86Å; I375-N418 HydrophobicContact CD1-CB 4.23Å; I375-N418 HydrophobicContact CG1-CB 4.32Å; I375-N421 WeakPolarHBondContact CD1-ND2 3.44Å; I375-P443 HydrophobicContact CG2-CB 3.55Å
376	L	88.9	Confident	84.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	137.9	165.4	-70.4	169.1	0	0	0	111.4	P269 L270 F368 Y369 V447 Q448 L453	P269-L376 HydrophobicContact CB-CD1 3.84Å; P269-L376 HydrophobicContact CB-CD2 4.3Å; P269-L376 HydrophobicContact CB-CG 4.14Å; L270-L376 HydrophobicContact CD2-CD2 3.49Å; L270-L376 VanDerWaalsContact CD2-CD2 3.49Å; L270-L376 HydrophobicContact CG-CD2 3.86Å; F368-L376 CarbonylContact O-C 3.58Å; F368-L376 WeakPolarHBondContact O-CA 3.5Å; Y369-L376 HydrophobicContact CD2-CD2 3.73Å; Y369-L376 HydrophobicContact CD2-CG 4.16Å; Y369-L376 HydrophobicContact CG-CD2 4.27Å; L376-V447 HydrophobicContact CB-CG1 3.61Å; L376-Q448 PolarHBondContact O-NE2 2.74Å; L376-L453 HydrophobicContact CG-CD1 4.48Å
377	T	89.7	Confident	83.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.2	172.8	58	0	0	0	0	110.1	F367 F368 L370 I375 F433 L440 Y442 P443	F367-T377 CarbonylContact C-O 3.57Å; F367-T377 VanDerWaalsContact CA-O 3.31Å; F367-T377 WeakPolarHBondContact CA-O 3.33Å; F368-T377 WeakPolarHBondContact CB-OG1 3.28Å; F368-T377 PolarHBondContact N-O 3.35Å; F368-T377 PolarHBondContact O-N 3.01Å; L370-T377 HydrophobicContact CD1-CG2 4.02Å; I375-T377 HydrophobicContact CG2-CG2 4.27Å; T377-F433 HydrophobicContact CG2-CZ 4.46Å; T377-L440 WeakPolarHBondContact CB-O 3.27Å; T377-L440 PolarHBondContact OG1-O 3.39Å; T377-Y442 WeakPolarHBondContact CA-O 3.19Å; T377-P443 HydrophobicContact CG2-CB 4.16Å
378	V	91.1	Very high	82	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.5	176.8	71.5	0	0	0	0	111.5	L365 Y366 F367 T380 Y442 Y444 W446 V447	L365-V378 HydrophobicContact CB-CG2 4.27Å; L365-V378 HydrophobicContact CD2-CG2 4.08Å; Y366-V378 CarbonylContact O-C 3.59Å; Y366-V378 VanDerWaalsContact O-CA 3.3Å; Y366-V378 WeakPolarHBondContact O-CA 3.4Å; F367-V378 HydrophobicContact CD1-CB 4.12Å; F367-V378 HydrophobicContact CD1-CG2 4.05Å; F367-V378 HydrophobicContact CE1-CB 4.05Å; F367-V378 HydrophobicContact CE1-CG2 3.8Å; F367-V378 HydrophobicContact CE2-CG2 4.36Å; F367-V378 HydrophobicContact CG-CG2 4.48Å; F367-V378 HydrophobicContact CZ-CG2 3.97Å; V378-T380 HydrophobicContact CG2-CG2 4.33Å; V378-Y442 PolarHBondContact N-O 3.5Å; V378-Y442 PolarHBondContact O-N 2.88Å; V378-Y444 HydrophobicContact CG1-CD2 3.6Å; V378-Y444 HydrophobicContact CG1-CE2 3.84Å; V378-W446 HydrophobicContact CG1-CH2 4.35Å; V378-W446 HydrophobicContact CG1-CZ2 4.19Å; V378-V447 HydrophobicContact CB-CG2 4.03Å; V378-V447 HydrophobicContact CG1-CG2 3.75Å
379	K	89.1	Confident	80.5	Confident	67 Å²	67	52 Å²	52	29%	0.291	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.6	163.2	-70.2	-165.2	-177.6	-158.2	0	110.1	Y366 F368 E438 E439	Y366-K379 PolarHBondContact N-O 2.59Å; Y366-K379 PolarHBondContact O-N 2.86Å; F368-K379 HydrophobicContact CD2-CG 4.47Å; F368-K379 HydrophobicContact CE2-CB 4.13Å; F368-K379 HydrophobicContact CE2-CD 3.97Å; F368-K379 HydrophobicContact CE2-CG 3.87Å; K379-E438 WeakPolarHBondContact CE-O 3.41Å; K379-E438 PolarHBondContact NZ-O 3.42Å; K379-E439 WeakPolarHBondContact CE-O 3.31Å; K379-E439 PolarHBondContact NZ-O 3.46Å
380	T	87.9	Confident	79	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.025	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.6	-169.8	70.9	0	0	0	0	110.4	H364 L365 V378 S400 L404	H364-T380 CarbonylContact O-C 3.56Å; H364-T380 WeakPolarHBondContact O-CA 3.31Å; L365-T380 HydrophobicContact CD2-CG2 3.9Å; V378-T380 HydrophobicContact CG2-CG2 4.33Å; T380-S400 WeakPolarHBondContact O-CB 3.4Å; T380-S400 PolarHBondContact O-OG 3.22Å; T380-S400 WeakPolarHBondContact OG1-CA 3.41Å; T380-S400 PolarHBondContact OG1-O 3.32Å; T380-L404 HydrophobicContact CG2-CD1 3.3Å; T380-L404 HydrophobicContact CG2-CG 3.8Å
381	R	84.3	Confident	77.9	Confident	157 Å²	157	55.5 Å²	55.5	59%	0.592	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.2	172	-178.3	179.7	179	178.6	1.2	109.2	H364	H364-R381 HydrophobicContact CB-CB 4.27Å; H364-R381 WeakPolarHBondContact CB-O 2.99Å; H364-R381 PolarHBondContact N-O 2.93Å; H364-R381 PolarHBondContact O-N 2.95Å
382	V	84.4	Confident	77.3	Confident	33 Å²	33	59.9 Å²	59.9	20%	0.2	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127	175	-177.4	0	0	0	0	108.3	L363 T384 L403	L363-V382 HydrophobicContact CD1-CG2 3.84Å; V382-T384 HydrophobicContact CG1-CG2 4.23Å; V382-L403 HydrophobicContact CG2-CD2 3.4Å; V382-L403 VanDerWaalsContact CG2-CD2 3.4Å
383	S	81.8	Confident	76.5	Confident	42 Å²	42	56.8 Å²	56.8	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.1	173.5	-57.7	0	0	0	0	108.2	S361 T362 H364	S361-S383 WeakPolarHBondContact CA-O 3.27Å; T362-S383 PolarHBondContact N-O 3.06Å; T362-S383 PolarHBondContact O-N 3.3Å; H364-S383 PolarHBondContact CD2-OG 2.79Å; H364-S383 PolarHBondContact NE2-OG 2.86Å
384	T	77.5	Confident	75.9	Confident	46 Å²	46	57 Å²	57	28%	0.282	32%	0.32	S	S	.	.			trans	-103.6	149.5	176.1	53.4	0	0	0	0	110.6	V382 T386 L388 L489	V382-T384 HydrophobicContact CG1-CG2 4.23Å; T384-T386 VanDerWaalsContact C-N 3.26Å; T384-T386 PolarHBondContact O-N 3.49Å; T384-T386 PolarHBondContact OG1-O 3.47Å; T384-L388 HydrophobicContact CG2-CD1 3.92Å; T384-L388 HydrophobicContact CG2-CG 4.4Å; T384-L489 HydrophobicContact CG2-CD1 4.46Å; T384-L489 HydrophobicContact CG2-CD2 3.69Å
385	S	64	Low	74.9	Confident	88 Å²	88	56.1 Å²	56.1	62%	0.615	33%	0.325	S	S	*	.	S	Bend	trans	-74.3	-16	178.9	56.3	0	0	0	0	114
386	T	64.4	Low	73.9	Confident	89 Å²	89	60.5 Å²	60.5	55%	0.546	35%	0.345	S	S	.	.	S	Bend	trans	-121.2	139.6	177.4	30.5	0	0	0	0	109.2	T384 L388	T384-T386 VanDerWaalsContact C-N 3.26Å; T384-T386 PolarHBondContact O-N 3.49Å; T384-T386 PolarHBondContact OG1-O 3.47Å; T386-L388 PolarHBondContact O-N 3.48Å; T386-L388 VanDerWaalsContact O-N 3.1Å
387	D	58.9	Low	73.1	Confident	163 Å²	163	60.5 Å²	60.5	87%	0.872	35%	0.345	S	S	*	.			trans	-62	112.5	172.2	-73.3	-28.9	0	0	0	108.4	N389	D387-N389 PolarHBondContact O-N 2.9Å
388	L	64.7	Low	72.3	Confident	50 Å²	50	62.8 Å²	62.8	26%	0.262	36%	0.357	S	S	.	.			trans	-74.9	111.7	175	-68.3	177.9	0	0	0	107.9	T384 T386 A390 L398 L489	T384-L388 HydrophobicContact CG2-CD1 3.92Å; T384-L388 HydrophobicContact CG2-CG 4.4Å; T386-L388 PolarHBondContact O-N 3.48Å; T386-L388 VanDerWaalsContact O-N 3.1Å; L388-A390 PolarHBondContact O-N 3.43Å; L388-A390 VanDerWaalsContact O-N 3.11Å; L388-L398 HydrophobicContact CD1-CD1 3.41Å; L388-L398 VanDerWaalsContact CD1-CD1 3.41Å; L388-L489 HydrophobicContact CD1-CD2 4.04Å
389	N	58.5	Low	71.4	Confident	141 Å²	141	67.4 Å²	67.4	75%	0.754	38%	0.377	S	S	*	.			trans	-56.2	118.6	166.4	-75.1	-11.1	0	0	0	108.1	D387 A391 H492	D387-N389 PolarHBondContact O-N 2.9Å; N389-A391 PolarHBondContact O-N 3.36Å; N389-H492 PolarHBondContact O-CE1 3.36Å
390	A	59.8	Low	70.3	Confident	93 Å²	93	67.1 Å²	67.1	77%	0.769	38%	0.384	S	S	*	.			trans	-67	96.4	-176.1	0	0	0	0	0	110.3	L388	L388-A390 PolarHBondContact O-N 3.43Å; L388-A390 VanDerWaalsContact O-N 3.11Å
391	A	63.6	Low	69.3	Low	6 Å²	6	70.8 Å²	70.8	5%	0.05	40%	0.401	C	S	.	.			trans	-65.3	130.9	164.7	0	0	0	0	0	108.1	N389 S393 A394 A496 E499	N389-A391 PolarHBondContact O-N 3.36Å; A391-S393 PolarHBondContact O-N 2.96Å; A391-A394 HydrophobicContact CB-CB 3.8Å; A391-A394 WeakPolarHBondContact O-CB 3.39Å; A391-A394 PolarHBondContact O-N 3.44Å; A391-A496 HydrophobicContact CB-CB 4.15Å; A391-E499 VanDerWaalsContact CA-OE2 3.27Å; A391-E499 WeakPolarHBondContact CA-OE2 3.44Å; A391-E499 VanDerWaalsContact CB-OE2 3.32Å; A391-E499 WeakPolarHBondContact CB-OE2 3.47Å
392	I	71.6	Confident	68.8	Low	144 Å²	144	65.1 Å²	65.1	74%	0.738	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-61.1	-40.1	-173.3	-61.3	171.8	0	0	0	109.8	A394 G395 E499	I392-A394 VanDerWaalsContact C-N 3.25Å; I392-A394 PolarHBondContact O-N 3.47Å; I392-G395 PolarHBondContact O-N 3.27Å; I392-E499 PolarHBondContact N-OE1 3.4Å; I392-E499 PolarHBondContact N-OE2 3.27Å
393	S	68.7	Low	68.4	Low	8 Å²	8	63.6 Å²	63.6	6%	0.056	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-74.6	-10.6	177.8	-46.5	0	0	0	0	113.3	A391 F495 E499	A391-S393 PolarHBondContact O-N 2.96Å; S393-F495 WeakPolarHBondContact O-CD2 3.44Å; S393-E499 WeakPolarHBondContact CA-OE1 3.5Å; S393-E499 WeakPolarHBondContact CB-OE1 3.27Å; S393-E499 PolarHBondContact N-OE1 2.98Å; S393-E499 PolarHBondContact OG-OE1 2.88Å
394	A	68.6	Low	68.4	Low	4 Å²	4	61.6 Å²	61.6	3%	0.033	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-95.9	-1.6	175.7	0	0	0	0	0	113.2	A391 I392 E396 L397 H492 F495	A391-A394 HydrophobicContact CB-CB 3.8Å; A391-A394 WeakPolarHBondContact O-CB 3.39Å; A391-A394 PolarHBondContact O-N 3.44Å; I392-A394 VanDerWaalsContact C-N 3.25Å; I392-A394 PolarHBondContact O-N 3.47Å; A394-E396 PolarHBondContact O-N 3.42Å; A394-E396 VanDerWaalsContact O-N 3.08Å; A394-L397 HydrophobicContact CB-CD1 4.15Å; A394-L397 WeakPolarHBondContact O-CB 3.33Å; A394-L397 PolarHBondContact O-N 3.28Å; A394-H492 VanDerWaalsContact CB-CD2 3.48Å; A394-H492 WeakPolarHBondContact CB-CD2 3.45Å; A394-F495 HydrophobicContact CB-CB 4.4Å; A394-F495 HydrophobicContact CB-CD2 4.19Å
395	G	66	Low	68.4	Low	42 Å²	42	60.1 Å²	60.1	43%	0.433	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.2	-174.5	0	0	0	0	0	114.8	I392 K399	I392-G395 PolarHBondContact O-N 3.27Å; G395-K399 VanDerWaalsContact O-CE 3.27Å; G395-K399 WeakPolarHBondContact O-CE 3.26Å; G395-K399 WeakPolarHBondContact O-CG 3.35Å
396	E	67.7	Low	69.1	Low	93 Å²	93	56.4 Å²	56.4	44%	0.435	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.4	177.6	-64.4	-168.5	160.1	0	0	114.5	A394 T402 L552	A394-E396 PolarHBondContact O-N 3.42Å; A394-E396 VanDerWaalsContact O-N 3.08Å; E396-T402 PolarHBondContact O-OG1 3.49Å; E396-L552 HydrophobicContact CB-CD2 4.15Å; E396-L552 WeakPolarHBondContact OE2-CD2 3.19Å
397	L	73	Confident	69.7	Low	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.4	-174.3	-70.6	-177.7	0	0	0	113.8	A394 L491 H492 F495 L552	A394-L397 HydrophobicContact CB-CD1 4.15Å; A394-L397 WeakPolarHBondContact O-CB 3.33Å; A394-L397 PolarHBondContact O-N 3.28Å; L397-L491 HydrophobicContact CD1-CB 3.83Å; L397-L491 HydrophobicContact CD2-CD1 4.48Å; L397-H492 HydrophobicContact CD1-CB 4.44Å; L397-F495 HydrophobicContact CD1-CD2 3.47Å; L397-F495 VanDerWaalsContact CD1-CD2 3.47Å; L397-F495 HydrophobicContact CD1-CE2 3.45Å; L397-F495 VanDerWaalsContact CD1-CE2 3.45Å; L397-F495 HydrophobicContact CD1-CG 4.49Å; L397-F495 HydrophobicContact CD1-CZ 4.45Å; L397-F495 HydrophobicContact CD2-CE2 4.21Å; L397-F495 HydrophobicContact CG-CD2 4.32Å; L397-F495 HydrophobicContact CG-CE2 4.01Å; L397-L552 HydrophobicContact CD2-CD1 3.45Å; L397-L552 VanDerWaalsContact CD2-CD1 3.45Å
398	L	72.2	Confident	70.5	Confident	48 Å²	48	47.9 Å²	47.9	25%	0.251	27%	0.272	S	S	.	.	S	Bend	trans	-112.6	4.2	-174.3	-63.9	175.6	0	0	0	113.3	L388 S400 R488 L489	L388-L398 HydrophobicContact CD1-CD1 3.41Å; L388-L398 VanDerWaalsContact CD1-CD1 3.41Å; L398-S400 PolarHBondContact O-N 2.84Å; L398-R488 HydrophobicContact CD2-CB 4.4Å; L398-L489 HydrophobicContact CD1-CD2 4.44Å; L398-L489 HydrophobicContact CD2-CD2 4.14Å
399	K	73.6	Confident	70.6	Confident	96 Å²	96	50.4 Å²	50.4	42%	0.417	29%	0.29	S	S	.	.			trans	-61.5	137.2	171.3	-77.9	177.5	-175.7	178.3	0	109.7	G395 E401 T402 L403	G395-K399 VanDerWaalsContact O-CE 3.27Å; G395-K399 WeakPolarHBondContact O-CE 3.26Å; G395-K399 WeakPolarHBondContact O-CG 3.35Å; K399-E401 PolarHBondContact O-N 3.15Å; K399-T402 PolarHBondContact O-N 2.95Å; K399-L403 WeakPolarHBondContact O-CB 3.47Å; K399-L403 PolarHBondContact O-N 2.91Å
400	S	65.1	Low	70.9	Confident	62 Å²	62	48.1 Å²	48.1	43%	0.434	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.2	177.5	-58.1	0	0	0	0	113.4	T380 L398	T380-S400 WeakPolarHBondContact O-CB 3.4Å; T380-S400 PolarHBondContact O-OG 3.22Å; T380-S400 WeakPolarHBondContact OG1-CA 3.41Å; T380-S400 PolarHBondContact OG1-O 3.32Å; L398-S400 PolarHBondContact O-N 2.84Å
401	E	67.9	Low	71.7	Confident	81 Å²	81	44.4 Å²	44.4	38%	0.379	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-43.8	-177	-54.2	-170.6	154.3	0	0	113.3	K399 Y442	K399-E401 PolarHBondContact O-N 3.15Å; E401-Y442 VanDerWaalsContact CA-OH 3.3Å; E401-Y442 WeakPolarHBondContact CA-OH 3.48Å; E401-Y442 HydrophobicContact CB-CE2 4.41Å; E401-Y442 WeakPolarHBondContact CB-OH 3.44Å; E401-Y442 HydrophobicContact CG-CE2 4.47Å; E401-Y442 WeakPolarHBondContact CG-OH 3.4Å
402	T	71.9	Confident	71.9	Confident	38 Å²	38	47.9 Å²	47.9	23%	0.233	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-16.5	-168.7	53.2	0	0	0	0	112.7	E396 K399 L404 S405	E396-T402 PolarHBondContact O-OG1 3.49Å; K399-T402 PolarHBondContact O-N 2.95Å; T402-L404 PolarHBondContact O-N 3.22Å; T402-S405 PolarHBondContact O-N 2.78Å; T402-S405 PolarHBondContact O-OG 2.83Å
403	L	77.5	Confident	72	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-48.7	-172.7	-177.8	69.6	0	0	0	113	L363 V382 K399 R484 R488	L363-L403 HydrophobicContact CD1-CD2 4.06Å; V382-L403 HydrophobicContact CG2-CD2 3.4Å; V382-L403 VanDerWaalsContact CG2-CD2 3.4Å; K399-L403 WeakPolarHBondContact O-CB 3.47Å; K399-L403 PolarHBondContact O-N 2.91Å; L403-R484 WeakPolarHBondContact O-CG 3.49Å; L403-R484 PolarHBondContact O-NH1 2.98Å; L403-R488 HydrophobicContact CD1-CB 4.25Å; L403-R488 HydrophobicContact CD1-CG 4Å
404	L	80.6	Confident	72.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	4.1	-176.5	-58.6	-166	0	0	0	113.7	L365 T380 T402 L407 Y444 W446 L481 R484	L365-L404 HydrophobicContact CD2-CD1 3.69Å; T380-L404 HydrophobicContact CG2-CD1 3.3Å; T380-L404 HydrophobicContact CG2-CG 3.8Å; T402-L404 PolarHBondContact O-N 3.22Å; L404-L407 HydrophobicContact CB-CD1 3.77Å; L404-L407 HydrophobicContact CB-CG 4.47Å; L404-L407 HydrophobicContact CD1-CD1 4.4Å; L404-L407 HydrophobicContact CD2-CD1 4.11Å; L404-L407 HydrophobicContact CG-CD1 4.29Å; L404-L407 WeakPolarHBondContact O-CD1 3.45Å; L404-L407 WeakPolarHBondContact O-CG 3.43Å; L404-Y444 HydrophobicContact CB-CE2 4.02Å; L404-W446 HydrophobicContact CB-CZ2 4.42Å; L404-W446 HydrophobicContact CD1-CH2 4.03Å; L404-W446 HydrophobicContact CD1-CZ2 3.77Å; L404-L481 HydrophobicContact CD1-CD2 3.79Å; L404-L481 HydrophobicContact CD2-CD2 3.62Å; L404-L481 HydrophobicContact CG-CD2 4.33Å; L404-R484 HydrophobicContact CD2-CG 4.44Å
405	S	79.2	Confident	72.8	Confident	14 Å²	14	55.6 Å²	55.6	10%	0.098	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	141.3	173.3	69.3	0	0	0	0	110.5	T402 L407 Y444 R484	T402-S405 PolarHBondContact O-N 2.78Å; T402-S405 PolarHBondContact O-OG 2.83Å; S405-L407 VanDerWaalsContact C-N 3.3Å; S405-L407 PolarHBondContact O-N 3.41Å; S405-Y444 PolarHBondContact N-OH 3.24Å; S405-R484 PolarHBondContact O-NH1 3.35Å
406	C	77	Confident	73.6	Confident	11 Å²	11	55 Å²	55	7%	0.074	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	42.5	178.9	-59.2	0	0	0	0	113.8	Y408 D411 R484 P573 R574	C406-Y408 VanDerWaalsContact C-N 3.35Å; C406-Y408 CarbonylContact C-O 3.28Å; C406-Y408 WeakPolarHBondContact CA-O 3.19Å; C406-D411 WeakPolarHBondContact CA-O 3.11Å; C406-D411 PolarHBondContact N-O 3.39Å; C406-R484 PolarHBondContact O-NH2 2.87Å; C406-P573 HydrophobicContact CB-CB 4.29Å; C406-R574 WeakPolarHBondContact O-CG 3.42Å
407	L	77.2	Confident	74.2	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.052	27%	0.267	C	S	.	.	S	Bend	trans	-62.7	-45.7	166.2	-84.5	161.9	0	0	0	110.7	L404 S405 W446 L480 L481 R484	L404-L407 HydrophobicContact CB-CD1 3.77Å; L404-L407 HydrophobicContact CB-CG 4.47Å; L404-L407 HydrophobicContact CD1-CD1 4.4Å; L404-L407 HydrophobicContact CD2-CD1 4.11Å; L404-L407 HydrophobicContact CG-CD1 4.29Å; L404-L407 WeakPolarHBondContact O-CD1 3.45Å; L404-L407 WeakPolarHBondContact O-CG 3.43Å; S405-L407 VanDerWaalsContact C-N 3.3Å; S405-L407 PolarHBondContact O-N 3.41Å; L407-W446 HydrophobicContact CD1-CD2 4.28Å; L407-W446 HydrophobicContact CD1-CZ2 3.71Å; L407-L480 HydrophobicContact CD2-CB 4.28Å; L407-L481 HydrophobicContact CD1-CD2 3.57Å; L407-L481 HydrophobicContact CD2-CD2 4.25Å; L407-R484 HydrophobicContact CD2-CB 4.19Å; L407-R484 HydrophobicContact CD2-CG 4.46Å
408	Y	76.3	Confident	74.6	Confident	62 Å²	62	52.7 Å²	52.7	24%	0.243	27%	0.273	C	S	.	.	S	Bend	trans	-103.3	163.9	167.6	-69.3	-87.7	0	0	0	110.2	C406 S410 D411 W446 T477 L480	C406-Y408 VanDerWaalsContact C-N 3.35Å; C406-Y408 CarbonylContact C-O 3.28Å; C406-Y408 WeakPolarHBondContact CA-O 3.19Å; Y408-S410 PolarHBondContact O-N 2.81Å; Y408-D411 PolarHBondContact O-N 3Å; Y408-W446 HydrophobicContact CD2-CB 3.43Å; Y408-W446 VanDerWaalsContact CD2-CB 3.43Å; Y408-W446 AromaticContact CD2-CG 3.95Å; Y408-W446 HydrophobicContact CD2-CG 3.95Å; Y408-W446 HydrophobicContact CE2-CB 3.32Å; Y408-W446 HydrophobicContact CE2-CG 4.02Å; Y408-T477 HydrophobicContact CE2-CG2 4.03Å; Y408-T477 PolarHBondContact OH-OG1 3.01Å; Y408-L480 HydrophobicContact CE1-CD1 4.24Å; Y408-L480 HydrophobicContact CE2-CD1 4.46Å
409	T	67	Low	75.1	Confident	103 Å²	103	54.2 Å²	54.2	63%	0.632	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	125.1	-177.1	48.1	0	0	0	0	111.2	D411	T409-D411 VanDerWaalsContact C-N 3.26Å; T409-D411 PolarHBondContact O-N 2.69Å
410	S	65.4	Low	75.5	Confident	93 Å²	93	51.8 Å²	51.8	65%	0.65	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	14.3	173.8	-50.4	0	0	0	0	116.3	Y408 Q412	Y408-S410 PolarHBondContact O-N 2.81Å; S410-Q412 PolarHBondContact O-N 3.47Å
411	D	75.8	Confident	76.4	Confident	15 Å²	15	48.8 Å²	48.8	8%	0.08	26%	0.263	C	S	.	.			trans	-91.1	96.5	177.3	-168.5	5.2	0	0	0	111.6	C406 Y408 T409 G413 Y444 M445	C406-D411 WeakPolarHBondContact CA-O 3.11Å; C406-D411 PolarHBondContact N-O 3.39Å; Y408-D411 PolarHBondContact O-N 3Å; T409-D411 VanDerWaalsContact C-N 3.26Å; T409-D411 PolarHBondContact O-N 2.69Å; D411-G413 PolarHBondContact OD1-N 2.94Å; D411-Y444 WeakPolarHBondContact OD2-CB 3.45Å; D411-M445 PolarHBondContact OD1-N 2.94Å; D411-M445 WeakPolarHBondContact OD2-CB 3.37Å; D411-M445 PolarHBondContact OD2-N 3.39Å
412	Q	68.4	Low	77	Confident	79 Å²	79	54.5 Å²	54.5	37%	0.369	28%	0.281	S	S	.	.			trans	-89.7	-18.2	180	-58.7	-165.8	5.9	0	0	113.4	S410 R414 T550	S410-Q412 PolarHBondContact O-N 3.47Å; Q412-R414 HydrophobicContact CB-CG 4.46Å; Q412-R414 PolarHBondContact O-N 2.88Å; Q412-T550 HydrophobicContact CG-CG2 3.86Å
413	G	73.9	Confident	77.5	Confident	4 Å²	4	61.4 Å²	61.4	4%	0.041	30%	0.304	C	S	.	.	S	Bend	trans	64	22.4	-175.9	0	0	0	0	0	114.8	D411 P443	D411-G413 PolarHBondContact OD1-N 2.94Å; G413-P443 WeakPolarHBondContact O-CD 3.43Å
414	R	75.9	Confident	77.6	Confident	148 Å²	148	64.8 Å²	64.8	56%	0.558	32%	0.32	S	S	*	.	S	Bend	trans	-97.1	-25.1	175.9	-68.3	-173.7	174.8	-168.8	-0.5	113.4	Q412	Q412-R414 HydrophobicContact CB-CG 4.46Å; Q412-R414 PolarHBondContact O-N 2.88Å
415	E	78.3	Confident	77.7	Confident	167 Å²	167	65.4 Å²	65.4	78%	0.78	32%	0.323	S	S	*	.	S	Bend	trans	-103.6	154.8	178.2	-62.3	-173.8	171.4	0	0	110.6	P417	E415-P417 WeakPolarHBondContact O-CD 3.24Å
416	T	80.9	Confident	77.9	Confident	30 Å²	30	71.1 Å²	71.1	18%	0.184	35%	0.352	C	S	.	.			trans	-80.8	126.5	176.6	52.6	0	0	0	0	111.1	I375 N418 N421 F425 F433	I375-T416 HydrophobicContact CD1-CG2 3.86Å; T416-N418 PolarHBondContact O-N 3.31Å; T416-N418 VanDerWaalsContact O-N 3.15Å; T416-N421 HydrophobicContact CG2-CB 4.43Å; T416-F425 HydrophobicContact CG2-CE2 3.56Å; T416-F425 HydrophobicContact CG2-CZ 3.81Å; T416-F433 HydrophobicContact CG2-CB 3.98Å; T416-F433 HydrophobicContact CG2-CD1 4.35Å; T416-F433 HydrophobicContact CG2-CD2 3.91Å; T416-F433 HydrophobicContact CG2-CG 3.8Å
417	P	81.4	Confident	78	Confident	19 Å²	19	79.3 Å²	79.3	12%	0.123	39%	0.386	C	S	.	.	S	Bend	trans	-56	-28.5	175.8	-34.4	40.3	0	0	0	115.8	E415 P419 P443 M445 Q448 F455	E415-P417 WeakPolarHBondContact O-CD 3.24Å; P417-P419 WeakPolarHBondContact O-CD 3.31Å; P417-P443 WeakPolarHBondContact CD-O 3.36Å; P417-P443 VanDerWaalsContact CG-O 3.27Å; P417-P443 WeakPolarHBondContact CG-O 3.36Å; P417-M445 HydrophobicContact CB-SD 3.5Å; P417-M445 VanDerWaalsContact CB-SD 3.5Å; P417-M445 HydrophobicContact CG-SD 3.7Å; P417-Q448 HydrophobicContact CB-CG 4.1Å; P417-Q448 HydrophobicContact CG-CG 3.94Å; P417-F455 HydrophobicContact CB-CB 4.44Å; P417-F455 HydrophobicContact CB-CD2 3.5Å; P417-F455 VanDerWaalsContact CB-CD2 3.5Å; P417-F455 HydrophobicContact CB-CE2 3.94Å; P417-F455 HydrophobicContact CB-CG 4.04Å; P417-F455 WeakPolarHBondContact O-CB 3.32Å
418	N	81.8	Confident	78	Confident	25 Å²	25	79.3 Å²	79.3	13%	0.134	39%	0.387	C	S	.	.			trans	-89.7	116.4	-176.9	-174.7	0.6	0	0	0	111.3	I375 T416 A420 N421 F455	I375-N418 HydrophobicContact CD1-CB 4.23Å; I375-N418 HydrophobicContact CG1-CB 4.32Å; T416-N418 PolarHBondContact O-N 3.31Å; T416-N418 VanDerWaalsContact O-N 3.15Å; N418-A420 PolarHBondContact O-N 3.4Å; N418-A420 VanDerWaalsContact OD1-CB 3.3Å; N418-A420 WeakPolarHBondContact OD1-CB 3.36Å; N418-A420 PolarHBondContact OD1-N 3.48Å; N418-N421 PolarHBondContact ND2-OD1 2.62Å; N418-N421 WeakPolarHBondContact O-CB 3.46Å; N418-N421 PolarHBondContact O-N 3.41Å; N418-N421 VanDerWaalsContact O-N 3.1Å; N418-F455 HydrophobicContact CB-CD1 3.97Å; N418-F455 HydrophobicContact CB-CE1 3.47Å; N418-F455 VanDerWaalsContact CB-CE1 3.47Å; N418-F455 HydrophobicContact CB-CZ 3.9Å
419	P	81.3	Confident	77.8	Confident	81 Å²	81	78.3 Å²	78.3	53%	0.526	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-27	177.2	-23.8	34.9	0	0	0	113.6	P417 N421 R422	P417-P419 WeakPolarHBondContact O-CD 3.31Å; P419-N421 PolarHBondContact O-N 3.04Å; P419-R422 WeakPolarHBondContact O-CB 3.5Å; P419-R422 PolarHBondContact O-N 3.12Å
420	A	82.1	Confident	78.2	Confident	44 Å²	44	74 Å²	74	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-30.6	177.9	0	0	0	0	0	112.2	N418 R422 Y423 Q424	N418-A420 PolarHBondContact O-N 3.4Å; N418-A420 VanDerWaalsContact OD1-CB 3.3Å; N418-A420 WeakPolarHBondContact OD1-CB 3.36Å; N418-A420 PolarHBondContact OD1-N 3.48Å; A420-R422 PolarHBondContact O-N 2.73Å; A420-Y423 PolarHBondContact O-N 3.38Å; A420-Y423 VanDerWaalsContact O-N 3.16Å; A420-Q424 WeakPolarHBondContact O-CG 3.31Å; A420-Q424 PolarHBondContact O-N 2.91Å; A420-Q424 VanDerWaalsContact O-N 3.13Å
421	N	83.9	Confident	78.5	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-69.3	-25.7	-176.8	-65	-0.8	0	0	0	111.9	L373 I375 T416 N418 P419 Y423 Q424 F425	L373-N421 HydrophobicContact CD2-CB 4.49Å; L373-N421 PolarHBondContact O-ND2 3.28Å; L373-N421 PolarHBondContact O-OD1 3.4Å; I375-N421 WeakPolarHBondContact CD1-ND2 3.44Å; T416-N421 HydrophobicContact CG2-CB 4.43Å; N418-N421 PolarHBondContact ND2-OD1 2.62Å; N418-N421 WeakPolarHBondContact O-CB 3.46Å; N418-N421 PolarHBondContact O-N 3.41Å; N418-N421 VanDerWaalsContact O-N 3.1Å; P419-N421 PolarHBondContact O-N 3.04Å; N421-Y423 VanDerWaalsContact C-N 3.32Å; N421-Y423 PolarHBondContact O-N 3.17Å; N421-Q424 PolarHBondContact O-N 3.24Å; N421-Q424 PolarHBondContact OD1-OE1 3.06Å; N421-F425 HydrophobicContact CB-CE2 4.15Å; N421-F425 HydrophobicContact CB-CZ 4.3Å; N421-F425 VanDerWaalsContact O-CB 3.31Å; N421-F425 WeakPolarHBondContact O-CB 3.27Å; N421-F425 VanDerWaalsContact O-CD2 3.26Å; N421-F425 WeakPolarHBondContact O-CD2 3.32Å; N421-F425 WeakPolarHBondContact O-CG 3.33Å; N421-F425 PolarHBondContact O-N 2.86Å
422	R	81.6	Confident	78.2	Confident	201 Å²	201	78.4 Å²	78.4	76%	0.758	39%	0.393	S	S	*	.	H	α-helix	trans	-60.5	-42.7	173	-169.1	174	-178.9	155.4	1	111.5	P419 A420 D426	P419-R422 WeakPolarHBondContact O-CB 3.5Å; P419-R422 PolarHBondContact O-N 3.12Å; A420-R422 PolarHBondContact O-N 2.73Å; R422-D426 PolarHBondContact O-N 3.5Å; R422-D426 VanDerWaalsContact O-N 3.11Å
423	Y	81.4	Confident	78.6	Confident	183 Å²	183	74.9 Å²	74.9	72%	0.718	38%	0.377	S	S	*	.	H	α-helix	trans	-71.3	-36.7	176	-62.4	-78.2	0	0	0	112.3	A420 N421 K427	A420-Y423 PolarHBondContact O-N 3.38Å; A420-Y423 VanDerWaalsContact O-N 3.16Å; N421-Y423 VanDerWaalsContact C-N 3.32Å; N421-Y423 PolarHBondContact O-N 3.17Å; Y423-K427 PolarHBondContact O-N 3.12Å
424	Q	80.3	Confident	78.6	Confident	71 Å²	71	76.6 Å²	76.6	33%	0.332	39%	0.391	S	S	.	.	H	α-helix	trans	-67.4	-39.6	176.6	-64.1	-179.4	-14	0	0	111.6	M343 N372 A420 N421 K427 V428	M343-Q424 HydrophobicContact CE-CB 3.54Å; N372-Q424 PolarHBondContact O-OE1 2.9Å; A420-Q424 WeakPolarHBondContact O-CG 3.31Å; A420-Q424 PolarHBondContact O-N 2.91Å; A420-Q424 VanDerWaalsContact O-N 3.13Å; N421-Q424 PolarHBondContact O-N 3.24Å; N421-Q424 PolarHBondContact OD1-OE1 3.06Å; Q424-K427 WeakPolarHBondContact O-CB 3.28Å; Q424-K427 PolarHBondContact O-N 3Å; Q424-V428 WeakPolarHBondContact O-CG2 3.21Å; Q424-V428 PolarHBondContact O-N 2.82Å
425	F	83.4	Confident	78.7	Confident	14 Å²	14	75.8 Å²	75.8	6%	0.061	40%	0.397	C	S	.	.	H	α-helix	trans	-66.3	-40.6	176.3	-69.7	-24.5	0	0	0	112.8	M343 L373 T416 N421 K427 V428 G429 I430 F433	M343-F425 HydrophobicContact CE-CD1 4.07Å; M343-F425 HydrophobicContact CE-CE1 4.36Å; L373-F425 HydrophobicContact CD1-CE1 3.91Å; L373-F425 HydrophobicContact CD1-CZ 3.91Å; L373-F425 HydrophobicContact CD2-CE1 3.78Å; L373-F425 HydrophobicContact CD2-CZ 4.25Å; T416-F425 HydrophobicContact CG2-CE2 3.56Å; T416-F425 HydrophobicContact CG2-CZ 3.81Å; N421-F425 HydrophobicContact CB-CE2 4.15Å; N421-F425 HydrophobicContact CB-CZ 4.3Å; N421-F425 VanDerWaalsContact O-CB 3.31Å; N421-F425 WeakPolarHBondContact O-CB 3.27Å; N421-F425 VanDerWaalsContact O-CD2 3.26Å; N421-F425 WeakPolarHBondContact O-CD2 3.32Å; N421-F425 WeakPolarHBondContact O-CG 3.33Å; N421-F425 PolarHBondContact O-N 2.86Å; F425-K427 PolarHBondContact O-N 3.33Å; F425-V428 CarbonylContact O-C 3.59Å; F425-V428 PolarHBondContact O-N 3.39Å; F425-V428 VanDerWaalsContact O-N 3.14Å; F425-G429 PolarHBondContact O-N 3.02Å; F425-I430 HydrophobicContact CB-CB 3.92Å; F425-I430 HydrophobicContact CB-CG2 4.25Å; F425-I430 HydrophobicContact CD1-CB 3.98Å; F425-I430 HydrophobicContact CD1-CD1 3.84Å; F425-I430 HydrophobicContact CD1-CG1 4.5Å; F425-I430 HydrophobicContact CD1-CG2 3.98Å; F425-I430 HydrophobicContact CD2-CG2 4.36Å; F425-I430 HydrophobicContact CE1-CD1 4.17Å; F425-I430 HydrophobicContact CE1-CG2 4.43Å; F425-I430 HydrophobicContact CG-CB 4.04Å; F425-I430 HydrophobicContact CG-CG2 3.95Å; F425-I430 PolarHBondContact O-N 2.69Å; F425-F433 HydrophobicContact CE2-CB 4.27Å; F425-F433 HydrophobicContact CE2-CD2 4.23Å; F425-F433 AromaticContact CZ-CD2 3.68Å; F425-F433 HydrophobicContact CZ-CD2 3.68Å; F425-F433 HydrophobicContact CZ-CE2 4.42Å
426	D	82.6	Confident	78.7	Confident	133 Å²	133	70.8 Å²	70.8	71%	0.711	37%	0.372	S	S	*	.	H	α-helix	trans	-59.3	-38.4	174.6	-166.1	39.7	0	0	0	111.3	R422 V428 G429	R422-D426 PolarHBondContact O-N 3.5Å; R422-D426 VanDerWaalsContact O-N 3.11Å; D426-V428 VanDerWaalsContact C-N 3.3Å; D426-V428 PolarHBondContact O-N 3.09Å; D426-G429 PolarHBondContact O-N 3.45Å
427	K	79.9	Confident	78.6	Confident	183 Å²	183	69.7 Å²	69.7	80%	0.796	37%	0.365	S	S	*	.	H	α-helix	trans	-65.3	-26.4	177.5	-166.2	177	-179.3	-179.6	0	114.4	Y423 Q424 F425	Y423-K427 PolarHBondContact O-N 3.12Å; Q424-K427 WeakPolarHBondContact O-CB 3.28Å; Q424-K427 PolarHBondContact O-N 3Å; F425-K427 PolarHBondContact O-N 3.33Å
428	V	76.6	Confident	78.4	Confident	11 Å²	11	75.7 Å²	75.7	7%	0.067	39%	0.391	C	S	.	.	H	α-helix	trans	-112.4	6.6	179.4	-64.4	0	0	0	0	113.6	K339 R340 M343 Q424 F425 D426 I430	K339-V428 HydrophobicContact CB-CG1 4.31Å; R340-V428 HydrophobicContact CG-CB 4.19Å; R340-V428 HydrophobicContact CG-CG2 4.37Å; R340-V428 PolarHBondContact NE-O 3.22Å; M343-V428 HydrophobicContact CE-CG2 4.06Å; M343-V428 HydrophobicContact SD-CB 4.07Å; M343-V428 HydrophobicContact SD-CG1 3.37Å; M343-V428 WeakPolarHBondContact SD-CG1 3.33Å; M343-V428 HydrophobicContact SD-CG2 3.54Å; M343-V428 VanDerWaalsContact SD-CG2 3.54Å; Q424-V428 WeakPolarHBondContact O-CG2 3.21Å; Q424-V428 PolarHBondContact O-N 2.82Å; F425-V428 CarbonylContact O-C 3.59Å; F425-V428 PolarHBondContact O-N 3.39Å; F425-V428 VanDerWaalsContact O-N 3.14Å; D426-V428 VanDerWaalsContact C-N 3.3Å; D426-V428 PolarHBondContact O-N 3.09Å; V428-I430 HydrophobicContact CG2-CB 4.42Å; V428-I430 HydrophobicContact CG2-CD1 3.7Å; V428-I430 HydrophobicContact CG2-CG1 3.88Å
429	G	72.6	Confident	78.3	Confident	40 Å²	40	80.2 Å²	80.2	41%	0.412	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	40.7	179.9	0	0	0	0	0	113.8	R340 F425 D426	R340-G429 PolarHBondContact NH2-O 3.38Å; F425-G429 PolarHBondContact O-N 3.02Å; D426-G429 PolarHBondContact O-N 3.45Å
430	I	75.3	Confident	78.3	Confident	13 Å²	13	76.5 Å²	76.5	7%	0.067	39%	0.388	C	S	.	.			trans	-91.1	122.7	168.4	-70.4	169.8	0	0	0	107.9	R340 F425 V428 Y436	R340-I430 HydrophobicContact CG-CD1 4.16Å; R340-I430 HydrophobicContact CG-CG1 4.16Å; F425-I430 HydrophobicContact CB-CB 3.92Å; F425-I430 HydrophobicContact CB-CG2 4.25Å; F425-I430 HydrophobicContact CD1-CB 3.98Å; F425-I430 HydrophobicContact CD1-CD1 3.84Å; F425-I430 HydrophobicContact CD1-CG1 4.5Å; F425-I430 HydrophobicContact CD1-CG2 3.98Å; F425-I430 HydrophobicContact CD2-CG2 4.36Å; F425-I430 HydrophobicContact CE1-CD1 4.17Å; F425-I430 HydrophobicContact CE1-CG2 4.43Å; F425-I430 HydrophobicContact CG-CB 4.04Å; F425-I430 HydrophobicContact CG-CG2 3.95Å; F425-I430 PolarHBondContact O-N 2.69Å; V428-I430 HydrophobicContact CG2-CB 4.42Å; V428-I430 HydrophobicContact CG2-CD1 3.7Å; V428-I430 HydrophobicContact CG2-CG1 3.88Å; I430-Y436 HydrophobicContact CD1-CE2 4.49Å; I430-Y436 HydrophobicContact CG1-CE2 4.36Å; I430-Y436 HydrophobicContact CG2-CE2 4.06Å
431	V	70.2	Confident	78.4	Confident	150 Å²	150	74.4 Å²	74.4	91%	0.909	37%	0.37	S	S	*	.			trans	-87.3	-40.2	-174.3	-176.7	0	0	0	0	111.9
432	S	70.9	Confident	78.5	Confident	50 Å²	50	75.9 Å²	75.9	35%	0.35	38%	0.376	S	S	.	.			trans	-146.1	145.4	178.3	-176.7	0	0	0	0	110.6	A434	S432-A434 VanDerWaalsContact C-N 3.26Å; S432-A434 WeakPolarHBondContact OG-CB 3.34Å; S432-A434 PolarHBondContact OG-N 3.3Å
433	F	76.9	Confident	78.9	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.026	34%	0.34	C	S	.	.	S	Bend	trans	-74.1	-21.4	173.6	-170.1	-100.9	0	0	0	111.9	L344 L370 L373 T377 T416 F425 D435 Y436 V437 L440 P443	L344-F433 HydrophobicContact CD2-CE2 4.36Å; L370-F433 HydrophobicContact CD1-CE2 4.28Å; L370-F433 HydrophobicContact CD1-CZ 4.09Å; L373-F433 HydrophobicContact CD1-CE2 4.13Å; T377-F433 HydrophobicContact CG2-CZ 4.46Å; T416-F433 HydrophobicContact CG2-CB 3.98Å; T416-F433 HydrophobicContact CG2-CD1 4.35Å; T416-F433 HydrophobicContact CG2-CD2 3.91Å; T416-F433 HydrophobicContact CG2-CG 3.8Å; F425-F433 HydrophobicContact CE2-CB 4.27Å; F425-F433 HydrophobicContact CE2-CD2 4.23Å; F425-F433 AromaticContact CZ-CD2 3.68Å; F425-F433 HydrophobicContact CZ-CD2 3.68Å; F425-F433 HydrophobicContact CZ-CE2 4.42Å; F433-D435 PolarHBondContact O-N 3.05Å; F433-D435 VanDerWaalsContact O-N 3.15Å; F433-Y436 PolarHBondContact O-N 2.67Å; F433-V437 HydrophobicContact CD1-CG2 3.45Å; F433-V437 VanDerWaalsContact CD1-CG2 3.45Å; F433-V437 HydrophobicContact CE1-CG2 3.64Å; F433-V437 WeakPolarHBondContact O-CG2 3.14Å; F433-V437 PolarHBondContact O-N 3.49Å; F433-L440 HydrophobicContact CE2-CD1 3.9Å; F433-L440 HydrophobicContact CZ-CB 4.4Å; F433-L440 HydrophobicContact CZ-CD1 3.91Å; F433-P443 HydrophobicContact CD1-CG 3.9Å; F433-P443 HydrophobicContact CE1-CG 3.66Å
434	A	74.4	Confident	79.2	Confident	40 Å²	40	57.7 Å²	57.7	33%	0.331	31%	0.306	S	S	.	.	H	α-helix	trans	-53.7	-36.9	-175.1	0	0	0	0	0	113.7	S432 Y436 V437	S432-A434 VanDerWaalsContact C-N 3.26Å; S432-A434 WeakPolarHBondContact OG-CB 3.34Å; S432-A434 PolarHBondContact OG-N 3.3Å; A434-Y436 PolarHBondContact O-N 3.21Å; A434-V437 WeakPolarHBondContact O-CB 3.34Å; A434-V437 PolarHBondContact O-N 2.87Å
435	D	76.6	Confident	79.4	Confident	130 Å²	130	56.2 Å²	56.2	70%	0.695	30%	0.3	S	S	*	.	H	α-helix	trans	-66.2	-23.2	-179.7	-57.5	-29.8	0	0	0	112.8	F433	F433-D435 PolarHBondContact O-N 3.05Å; F433-D435 VanDerWaalsContact O-N 3.15Å
436	Y	78.5	Confident	79.5	Confident	63 Å²	63	55.6 Å²	55.6	25%	0.247	30%	0.297	C	S	.	.	H	α-helix	trans	-102.7	-5.3	-178.5	-58.6	-75.5	0	0	0	113	L344 I430 F433 A434 E438 E439 L440	L344-Y436 HydrophobicContact CD1-CD1 3.62Å; L344-Y436 HydrophobicContact CD1-CD2 4.26Å; L344-Y436 HydrophobicContact CD1-CE1 3.77Å; L344-Y436 HydrophobicContact CD1-CE2 4.37Å; L344-Y436 HydrophobicContact CD1-CG 3.88Å; I430-Y436 HydrophobicContact CD1-CE2 4.49Å; I430-Y436 HydrophobicContact CG1-CE2 4.36Å; I430-Y436 HydrophobicContact CG2-CE2 4.06Å; F433-Y436 PolarHBondContact O-N 2.67Å; A434-Y436 PolarHBondContact O-N 3.21Å; Y436-E438 PolarHBondContact O-N 3.49Å; Y436-E439 PolarHBondContact O-N 2.96Å; Y436-L440 VanDerWaalsContact O-CB 3.31Å; Y436-L440 WeakPolarHBondContact O-CB 3.35Å; Y436-L440 WeakPolarHBondContact O-CG 3.16Å; Y436-L440 PolarHBondContact O-N 2.91Å
437	V	79.9	Confident	79.8	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-38.1	-177.1	171.5	0	0	0	0	112	F433 A434 E439 G441 Y442	F433-V437 HydrophobicContact CD1-CG2 3.45Å; F433-V437 VanDerWaalsContact CD1-CG2 3.45Å; F433-V437 HydrophobicContact CE1-CG2 3.64Å; F433-V437 WeakPolarHBondContact O-CG2 3.14Å; F433-V437 PolarHBondContact O-N 3.49Å; A434-V437 WeakPolarHBondContact O-CB 3.34Å; A434-V437 PolarHBondContact O-N 2.87Å; V437-E439 PolarHBondContact O-N 3.34Å; V437-G441 CarbonylContact O-C 3.57Å; V437-G441 WeakPolarHBondContact O-CA 3.25Å; V437-G441 PolarHBondContact O-N 3.34Å; V437-Y442 HydrophobicContact CG1-CD1 3.31Å; V437-Y442 HydrophobicContact CG1-CD2 3.84Å; V437-Y442 HydrophobicContact CG1-CE1 3.2Å; V437-Y442 HydrophobicContact CG1-CE2 3.71Å; V437-Y442 HydrophobicContact CG1-CG 3.6Å
438	E	76.4	Confident	80.2	Confident	145 Å²	145	40.6 Å²	40.6	68%	0.678	23%	0.225	S	C	*	.	H	α-helix	trans	-62	-38.6	177.9	-167.4	-178.4	175.7	0	0	110.9	K379 Y436	K379-E438 WeakPolarHBondContact CE-O 3.41Å; K379-E438 PolarHBondContact NZ-O 3.42Å; Y436-E438 PolarHBondContact O-N 3.49Å
439	E	79.9	Confident	80.6	Confident	121 Å²	121	41.4 Å²	41.4	57%	0.565	23%	0.229	S	C	*	.	H	α-helix	trans	-77.7	-49.3	179.7	-153.1	-153.6	120.4	0	0	112	R346 K379 Y436 V437	R346-E439 PolarHBondContact NH1-O 3.41Å; R346-E439 PolarHBondContact NH2-O 3.47Å; R346-E439 IonicContact NH2-OE1 3.38Å; R346-E439 PolarHBondContact NH2-OE1 2.93Å; K379-E439 WeakPolarHBondContact CE-O 3.31Å; K379-E439 PolarHBondContact NZ-O 3.46Å; Y436-E439 PolarHBondContact O-N 2.96Å; V437-E439 PolarHBondContact O-N 3.34Å
440	L	81.2	Confident	81.2	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-91.3	-22.3	-169.7	-61.6	174.4	0	0	0	114	L344 R346 L370 T377 F433 Y436	L344-L440 HydrophobicContact CB-CD1 4.22Å; L344-L440 HydrophobicContact CD1-CD1 4.4Å; L344-L440 HydrophobicContact CD2-CD1 3.77Å; L344-L440 HydrophobicContact CG-CD1 4.33Å; R346-L440 HydrophobicContact CG-CD2 4.14Å; L370-L440 HydrophobicContact CD1-CD1 4.19Å; L370-L440 HydrophobicContact CD2-CD2 4.14Å; T377-L440 WeakPolarHBondContact CB-O 3.27Å; T377-L440 PolarHBondContact OG1-O 3.39Å; F433-L440 HydrophobicContact CE2-CD1 3.9Å; F433-L440 HydrophobicContact CZ-CB 4.4Å; F433-L440 HydrophobicContact CZ-CD1 3.91Å; Y436-L440 VanDerWaalsContact O-CB 3.31Å; Y436-L440 WeakPolarHBondContact O-CB 3.35Å; Y436-L440 WeakPolarHBondContact O-CG 3.16Å; Y436-L440 PolarHBondContact O-N 2.91Å
441	G	83.9	Confident	81.4	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.			trans	97.2	172.6	-172.4	0	0	0	0	0	113.6	V437 P443	V437-G441 CarbonylContact O-C 3.57Å; V437-G441 WeakPolarHBondContact O-CA 3.25Å; V437-G441 PolarHBondContact O-N 3.34Å; G441-P443 WeakPolarHBondContact O-CD 3.29Å
442	Y	86.8	Confident	81.9	Confident	31 Å²	31	32.2 Å²	32.2	12%	0.122	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-90.2	122.6	-172.4	-68.7	-95.1	0	0	0	112	T377 V378 E401 V437 Y444	T377-Y442 WeakPolarHBondContact CA-O 3.19Å; V378-Y442 PolarHBondContact N-O 3.5Å; V378-Y442 PolarHBondContact O-N 2.88Å; E401-Y442 VanDerWaalsContact CA-OH 3.3Å; E401-Y442 WeakPolarHBondContact CA-OH 3.48Å; E401-Y442 HydrophobicContact CB-CE2 4.41Å; E401-Y442 WeakPolarHBondContact CB-OH 3.44Å; E401-Y442 HydrophobicContact CG-CE2 4.47Å; E401-Y442 WeakPolarHBondContact CG-OH 3.4Å; V437-Y442 HydrophobicContact CG1-CD1 3.31Å; V437-Y442 HydrophobicContact CG1-CD2 3.84Å; V437-Y442 HydrophobicContact CG1-CE1 3.2Å; V437-Y442 HydrophobicContact CG1-CE2 3.71Å; V437-Y442 HydrophobicContact CG1-CG 3.6Å; Y442-Y444 VanDerWaalsContact C-N 3.32Å; Y442-Y444 AromaticContact CG-CE2 3.99Å; Y442-Y444 HydrophobicContact CG-CE2 3.99Å; Y442-Y444 AromaticContact CG-CZ 3.91Å; Y442-Y444 PolarHBondContact O-N 3.44Å; Y442-Y444 VanDerWaalsContact O-N 3.14Å
443	P	88.4	Confident	82.4	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.159	C	C	.	.			trans	-86.6	62.9	178.7	35.8	-39.9	0	0	0	112	I375 T377 G413 P417 F433 G441	I375-P443 HydrophobicContact CG2-CB 3.55Å; T377-P443 HydrophobicContact CG2-CB 4.16Å; G413-P443 WeakPolarHBondContact O-CD 3.43Å; P417-P443 WeakPolarHBondContact CD-O 3.36Å; P417-P443 VanDerWaalsContact CG-O 3.27Å; P417-P443 WeakPolarHBondContact CG-O 3.36Å; F433-P443 HydrophobicContact CD1-CG 3.9Å; F433-P443 HydrophobicContact CE1-CG 3.66Å; G441-P443 WeakPolarHBondContact O-CD 3.29Å
444	Y	87.9	Confident	82.5	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.173	C	C	.	.			trans	-64.3	151.1	177.4	-62.3	-66.1	0	0	0	112.4	V378 L404 S405 D411 Y442 W446 V447 Q448	V378-Y444 HydrophobicContact CG1-CD2 3.6Å; V378-Y444 HydrophobicContact CG1-CE2 3.84Å; L404-Y444 HydrophobicContact CB-CE2 4.02Å; S405-Y444 PolarHBondContact N-OH 3.24Å; D411-Y444 WeakPolarHBondContact OD2-CB 3.45Å; Y442-Y444 VanDerWaalsContact C-N 3.32Å; Y442-Y444 AromaticContact CG-CE2 3.99Å; Y442-Y444 HydrophobicContact CG-CE2 3.99Å; Y442-Y444 AromaticContact CG-CZ 3.91Å; Y442-Y444 PolarHBondContact O-N 3.44Å; Y442-Y444 VanDerWaalsContact O-N 3.14Å; Y444-W446 VanDerWaalsContact C-N 3.35Å; Y444-W446 VanDerWaalsContact CB-CD1 3.42Å; Y444-W446 AromaticContact CD2-CE2 3.88Å; Y444-W446 AromaticContact CD2-CZ2 3.8Å; Y444-W446 HydrophobicContact CD2-CZ2 3.8Å; Y444-W446 AromaticContact CD2-NE1 3.55Å; Y444-W446 HydrophobicContact CE2-CZ2 4.46Å; Y444-W446 HydrophobicContact CG-CZ2 4.43Å; Y444-W446 AromaticContact CG-NE1 3.31Å; Y444-W446 VanDerWaalsContact CG-NE1 3.31Å; Y444-W446 PolarHBondContact O-N 2.98Å; Y444-V447 HydrophobicContact CD2-CG2 4.22Å; Y444-V447 WeakPolarHBondContact O-CB 3.4Å; Y444-V447 PolarHBondContact O-N 3.03Å; Y444-Q448 PolarHBondContact O-N 3.22Å; Y444-Q448 PolarHBondContact O-NE2 3.1Å
445	M	84.1	Confident	82.7	Confident	39 Å²	39	33.3 Å²	33.3	19%	0.192	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-41	176.6	-72.1	-62.8	-59.8	0	0	111.9	D411 P417 V447 Q448 N449 F455 T457	D411-M445 PolarHBondContact OD1-N 2.94Å; D411-M445 WeakPolarHBondContact OD2-CB 3.37Å; D411-M445 PolarHBondContact OD2-N 3.39Å; P417-M445 HydrophobicContact CB-SD 3.5Å; P417-M445 VanDerWaalsContact CB-SD 3.5Å; P417-M445 HydrophobicContact CG-SD 3.7Å; M445-V447 PolarHBondContact O-N 2.85Å; M445-Q448 WeakPolarHBondContact O-CB 3.48Å; M445-Q448 PolarHBondContact O-N 3.44Å; M445-Q448 VanDerWaalsContact O-N 3.11Å; M445-N449 PolarHBondContact O-N 3.4Å; M445-F455 HydrophobicContact CE-CB 4.27Å; M445-T457 HydrophobicContact CE-CG2 3.78Å
446	W	86.4	Confident	82.4	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-30	178.7	65.2	-93.2	0	0	0	112.9	F367 V378 L404 L407 Y408 Y444 Q448 N449 L450 T477 L481	F367-W446 HydrophobicContact CE1-CZ3 4.39Å; F367-W446 HydrophobicContact CZ-CZ3 4.4Å; V378-W446 HydrophobicContact CG1-CH2 4.35Å; V378-W446 HydrophobicContact CG1-CZ2 4.19Å; L404-W446 HydrophobicContact CB-CZ2 4.42Å; L404-W446 HydrophobicContact CD1-CH2 4.03Å; L404-W446 HydrophobicContact CD1-CZ2 3.77Å; L407-W446 HydrophobicContact CD1-CD2 4.28Å; L407-W446 HydrophobicContact CD1-CZ2 3.71Å; Y408-W446 HydrophobicContact CD2-CB 3.43Å; Y408-W446 VanDerWaalsContact CD2-CB 3.43Å; Y408-W446 AromaticContact CD2-CG 3.95Å; Y408-W446 HydrophobicContact CD2-CG 3.95Å; Y408-W446 HydrophobicContact CE2-CB 3.32Å; Y408-W446 HydrophobicContact CE2-CG 4.02Å; Y444-W446 VanDerWaalsContact C-N 3.35Å; Y444-W446 VanDerWaalsContact CB-CD1 3.42Å; Y444-W446 AromaticContact CD2-CE2 3.88Å; Y444-W446 AromaticContact CD2-CZ2 3.8Å; Y444-W446 HydrophobicContact CD2-CZ2 3.8Å; Y444-W446 AromaticContact CD2-NE1 3.55Å; Y444-W446 HydrophobicContact CE2-CZ2 4.46Å; Y444-W446 HydrophobicContact CG-CZ2 4.43Å; Y444-W446 AromaticContact CG-NE1 3.31Å; Y444-W446 VanDerWaalsContact CG-NE1 3.31Å; Y444-W446 PolarHBondContact O-N 2.98Å; W446-Q448 VanDerWaalsContact C-N 3.35Å; W446-N449 PolarHBondContact O-N 3.48Å; W446-L450 HydrophobicContact CE3-CD1 3.62Å; W446-L450 HydrophobicContact CE3-CG 4.36Å; W446-L450 HydrophobicContact CZ3-CD1 3.69Å; W446-L450 VanDerWaalsContact O-CG 3.31Å; W446-L450 WeakPolarHBondContact O-CG 3.4Å; W446-L450 PolarHBondContact O-N 3.36Å; W446-T477 HydrophobicContact CB-CG2 4.39Å; W446-T477 HydrophobicContact CD2-CG2 4.08Å; W446-T477 HydrophobicContact CE3-CG2 3.59Å; W446-T477 HydrophobicContact CG-CG2 4.43Å; W446-T477 HydrophobicContact CZ3-CG2 4.24Å; W446-L481 HydrophobicContact CH2-CD2 4.25Å; W446-L481 HydrophobicContact CZ2-CD2 4.49Å; W446-L481 HydrophobicContact CZ3-CD1 4.37Å
447	V	88.9	Confident	81.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-41	175.2	174.7	0	0	0	0	110.3	F367 L376 V378 Y444 M445 L450 G451	F367-V447 HydrophobicContact CD1-CG1 3.72Å; F367-V447 HydrophobicContact CE1-CB 4.46Å; F367-V447 HydrophobicContact CE1-CG1 3.76Å; F367-V447 HydrophobicContact CE1-CG2 4.1Å; L376-V447 HydrophobicContact CB-CG1 3.61Å; V378-V447 HydrophobicContact CB-CG2 4.03Å; V378-V447 HydrophobicContact CG1-CG2 3.75Å; Y444-V447 HydrophobicContact CD2-CG2 4.22Å; Y444-V447 WeakPolarHBondContact O-CB 3.4Å; Y444-V447 PolarHBondContact O-N 3.03Å; M445-V447 PolarHBondContact O-N 2.85Å; V447-L450 PolarHBondContact O-N 2.96Å; V447-G451 PolarHBondContact O-N 3.28Å
448	Q	88.7	Confident	80.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-45.3	174.9	-49.3	-47.3	-38.4	0	0	110.9	L376 P417 Y444 M445 W446 L450 G451 G452 L453 F455	L376-Q448 PolarHBondContact O-NE2 2.74Å; P417-Q448 HydrophobicContact CB-CG 4.1Å; P417-Q448 HydrophobicContact CG-CG 3.94Å; Y444-Q448 PolarHBondContact O-N 3.22Å; Y444-Q448 PolarHBondContact O-NE2 3.1Å; M445-Q448 WeakPolarHBondContact O-CB 3.48Å; M445-Q448 PolarHBondContact O-N 3.44Å; M445-Q448 VanDerWaalsContact O-N 3.11Å; W446-Q448 VanDerWaalsContact C-N 3.35Å; Q448-L450 VanDerWaalsContact C-N 3.31Å; Q448-L450 PolarHBondContact O-N 2.91Å; Q448-G451 CarbonylContact O-C 3.53Å; Q448-G451 WeakPolarHBondContact O-CA 3.42Å; Q448-G451 PolarHBondContact O-N 3.44Å; Q448-G452 PolarHBondContact O-N 3.41Å; Q448-L453 CarbonylContact C-O 3.6Å; Q448-L453 VanDerWaalsContact C-O 3.28Å; Q448-L453 HydrophobicContact CB-CB 4.06Å; Q448-L453 WeakPolarHBondContact CB-O 3.35Å; Q448-L453 PolarHBondContact O-N 2.97Å; Q448-F455 HydrophobicContact CB-CD2 4.09Å; Q448-F455 HydrophobicContact CB-CE2 4.01Å; Q448-F455 HydrophobicContact CG-CD2 3.95Å; Q448-F455 HydrophobicContact CG-CE2 3.75Å
449	N	85.1	Confident	78.8	Confident	29 Å²	29	40.3 Å²	40.3	16%	0.155	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-40	179.4	-66.5	-14.3	0	0	0	111.9	M445 W446 G451 G452 L469 S470	M445-N449 PolarHBondContact O-N 3.4Å; W446-N449 PolarHBondContact O-N 3.48Å; N449-G451 VanDerWaalsContact C-N 3.32Å; N449-G451 PolarHBondContact O-N 2.98Å; N449-G452 PolarHBondContact O-N 3.25Å; N449-G452 VanDerWaalsContact O-N 3.14Å; N449-L469 HydrophobicContact CB-CD2 4Å; N449-L469 HydrophobicContact CB-CG 4.48Å; N449-S470 WeakPolarHBondContact O-CA 3.38Å
450	L	84	Confident	77.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-30.7	173.7	-67.6	-178.5	0	0	0	112.8	L273 W446 V447 Q448 G452 S470 H473 M474 T477	L273-L450 HydrophobicContact CD1-CB 3.68Å; W446-L450 HydrophobicContact CE3-CD1 3.62Å; W446-L450 HydrophobicContact CE3-CG 4.36Å; W446-L450 HydrophobicContact CZ3-CD1 3.69Å; W446-L450 VanDerWaalsContact O-CG 3.31Å; W446-L450 WeakPolarHBondContact O-CG 3.4Å; W446-L450 PolarHBondContact O-N 3.36Å; V447-L450 PolarHBondContact O-N 2.96Å; Q448-L450 VanDerWaalsContact C-N 3.31Å; Q448-L450 PolarHBondContact O-N 2.91Å; L450-G452 VanDerWaalsContact C-N 3.25Å; L450-G452 PolarHBondContact O-N 3.08Å; L450-S470 WeakPolarHBondContact O-CB 3.45Å; L450-S470 PolarHBondContact O-OG 3.08Å; L450-H473 HydrophobicContact CD2-CB 4.39Å; L450-M474 HydrophobicContact CD2-CB 4.37Å; L450-M474 HydrophobicContact CD2-CE 3.9Å; L450-M474 HydrophobicContact CD2-SD 3.95Å; L450-T477 HydrophobicContact CD1-CG2 4.18Å
451	G	81	Confident	75.3	Confident	2 Å²	2	48 Å²	48	2%	0.021	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.8	171.4	0	0	0	0	0	114.7	P269 V447 Q448 N449 L453	P269-G451 WeakPolarHBondContact CA-O 3.49Å; V447-G451 PolarHBondContact O-N 3.28Å; Q448-G451 CarbonylContact O-C 3.53Å; Q448-G451 WeakPolarHBondContact O-CA 3.42Å; Q448-G451 PolarHBondContact O-N 3.44Å; N449-G451 VanDerWaalsContact C-N 3.32Å; N449-G451 PolarHBondContact O-N 2.98Å; G451-L453 VanDerWaalsContact C-N 3.27Å; G451-L453 PolarHBondContact O-N 2.95Å
452	G	80.8	Confident	73.4	Confident	8 Å²	8	50.4 Å²	50.4	8%	0.082	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	9.2	-176.3	0	0	0	0	0	114.7	Q448 N449 L450 G466	Q448-G452 PolarHBondContact O-N 3.41Å; N449-G452 PolarHBondContact O-N 3.25Å; N449-G452 VanDerWaalsContact O-N 3.14Å; L450-G452 VanDerWaalsContact C-N 3.25Å; L450-G452 PolarHBondContact O-N 3.08Å; G452-G466 WeakPolarHBondContact CA-O 3.26Å; G452-G466 PolarHBondContact O-N 2.71Å
453	L	81.4	Confident	71.3	Confident	28 Å²	28	59 Å²	59	15%	0.147	33%	0.325	C	S	.	.			trans	-85.3	119.2	173.1	-67	175.7	0	0	0	109	P269 L376 Q448 G451 F455	P269-L453 HydrophobicContact CB-CD1 3.99Å; P269-L453 HydrophobicContact CB-CG 4.09Å; P269-L453 HydrophobicContact CG-CD1 3.88Å; P269-L453 HydrophobicContact CG-CD2 3.96Å; P269-L453 HydrophobicContact CG-CG 3.98Å; L376-L453 HydrophobicContact CG-CD1 4.48Å; Q448-L453 CarbonylContact C-O 3.6Å; Q448-L453 VanDerWaalsContact C-O 3.28Å; Q448-L453 HydrophobicContact CB-CB 4.06Å; Q448-L453 WeakPolarHBondContact CB-O 3.35Å; Q448-L453 PolarHBondContact O-N 2.97Å; G451-L453 VanDerWaalsContact C-N 3.27Å; G451-L453 PolarHBondContact O-N 2.95Å; L453-F455 HydrophobicContact CB-CE2 4.04Å; L453-F455 HydrophobicContact CB-CZ 4.43Å
454	H	78.8	Confident	69.4	Low	72 Å²	72	63 Å²	63	33%	0.333	35%	0.346	S	S	.	.			trans	-107.1	119.3	177.4	-178.8	-76.2	0	0	0	110	L469	H454-L469 HydrophobicContact CB-CD2 4.3Å
455	F	78.4	Confident	67.5	Low	18 Å²	18	67.8 Å²	67.8	8%	0.079	38%	0.375	C	S	.	.			trans	-108.2	137	171.5	-62	-71.7	0	0	0	109.6	P417 N418 M445 Q448 L453 T457	P417-F455 HydrophobicContact CB-CB 4.44Å; P417-F455 HydrophobicContact CB-CD2 3.5Å; P417-F455 VanDerWaalsContact CB-CD2 3.5Å; P417-F455 HydrophobicContact CB-CE2 3.94Å; P417-F455 HydrophobicContact CB-CG 4.04Å; P417-F455 WeakPolarHBondContact O-CB 3.32Å; N418-F455 HydrophobicContact CB-CD1 3.97Å; N418-F455 HydrophobicContact CB-CE1 3.47Å; N418-F455 VanDerWaalsContact CB-CE1 3.47Å; N418-F455 HydrophobicContact CB-CZ 3.9Å; M445-F455 HydrophobicContact CE-CB 4.27Å; Q448-F455 HydrophobicContact CB-CD2 4.09Å; Q448-F455 HydrophobicContact CB-CE2 4.01Å; Q448-F455 HydrophobicContact CG-CD2 3.95Å; Q448-F455 HydrophobicContact CG-CE2 3.75Å; L453-F455 HydrophobicContact CB-CE2 4.04Å; L453-F455 HydrophobicContact CB-CZ 4.43Å; F455-T457 PolarHBondContact O-N 2.86Å; F455-T457 VanDerWaalsContact O-N 3.14Å
456	P	68.8	Low	66.4	Low	106 Å²	106	67 Å²	67	69%	0.688	38%	0.377	S	S	*	.			trans	-62.1	116.5	178	-18	29.9	0	0	0	111
457	T	61.9	Low	64.8	Low	65 Å²	65	69.9 Å²	69.9	40%	0.399	40%	0.398	S	S	.	.			trans	-95.5	148.7	163.9	26.9	0	0	0	0	109.8	M445 F455 S459 S460	M445-T457 HydrophobicContact CE-CG2 3.78Å; F455-T457 PolarHBondContact O-N 2.86Å; F455-T457 VanDerWaalsContact O-N 3.14Å; T457-S459 PolarHBondContact O-N 2.92Å; T457-S460 PolarHBondContact OG1-OG 3.01Å
458	E	49.9	Very low	63.2	Low	212 Å²	212	72.9 Å²	72.9	99%	0.991	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-2.4	-177.3	-64.8	-175.5	156.7	0	0	114.9
459	S	48.9	Very low	62.2	Low	108 Å²	108	73.3 Å²	73.3	76%	0.755	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.6	18.4	-167.6	52.1	0	0	0	0	116.6	T457	T457-S459 PolarHBondContact O-N 2.92Å
460	S	48.1	Very low	61.4	Low	79 Å²	79	72 Å²	72	55%	0.552	41%	0.413	S	S	*	.			trans	-116.6	114.3	-179.9	-61.4	0	0	0	0	114.9	T457	T457-S460 PolarHBondContact OG1-OG 3.01Å
461	E	39.7	Very low	60.4	Low	206 Å²	206	74.1 Å²	74.1	96%	0.963	43%	0.431	S	S	*	.			trans	-84.3	111.6	160	-68.3	-173.3	162.4	0	0	109.4
462	G	42.5	Very low	60	Low	51 Å²	51	77 Å²	77	53%	0.526	45%	0.451	S	S	.	.			trans	152.3	115.1	170.3	0	0	0	0	0	114.2	L464	G462-L464 PolarHBondContact O-N 2.82Å
463	F	44.3	Very low	59.9	Low	211 Å²	211	79.2 Å²	79.2	93%	0.925	46%	0.459	S	S	*	.			trans	-87.9	84.8	176.7	-70.5	-91.3	0	0	0	110.9
464	L	46.7	Very low	59.9	Low	85 Å²	85	78 Å²	78	45%	0.445	45%	0.453	S	S	.	.			trans	-120.1	128.3	167	-66.4	174.7	0	0	0	109	G462 L469	G462-L464 PolarHBondContact O-N 2.82Å; L464-L469 HydrophobicContact CB-CB 4.39Å; L464-L469 HydrophobicContact CB-CD1 4.01Å; L464-L469 WeakPolarHBondContact O-CD1 3.32Å
465	V	50	Low	60.2	Low	103 Å²	103	78.8 Å²	78.8	62%	0.624	46%	0.457	S	S	*	.			trans	-133.6	142.3	-176.2	-175.3	0	0	0	0	109.9	S468	V465-S468 PolarHBondContact O-OG 2.97Å
466	G	59.1	Low	60.6	Low	21 Å²	21	81.4 Å²	81.4	22%	0.216	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	-135.3	174	0	0	0	0	0	114	G452 S468 L469 S470	G452-G466 WeakPolarHBondContact CA-O 3.26Å; G452-G466 PolarHBondContact O-N 2.71Å; G466-S468 VanDerWaalsContact C-N 3.31Å; G466-S468 PolarHBondContact O-N 3.34Å; G466-L469 PolarHBondContact O-N 3.33Å; G466-S470 PolarHBondContact O-N 2.91Å
467	S	54.2	Low	61.4	Low	64 Å²	64	76.4 Å²	76.4	45%	0.448	44%	0.441	S	S	.	.	H	α-helix	trans	-61.7	-33.2	-170	-166.6	0	0	0	0	113.8	Q276 A471	Q276-S467 PolarHBondContact NE2-O 3.13Å; Q276-S467 PolarHBondContact NE2-OG 3.44Å; S467-A471 WeakPolarHBondContact O-CB 3.45Å; S467-A471 PolarHBondContact O-N 2.99Å
468	S	55.8	Low	62.6	Low	62 Å²	62	73.3 Å²	73.3	43%	0.434	42%	0.423	S	S	.	.	H	α-helix	trans	-72.9	-35	179.9	53.9	0	0	0	0	113.4	V465 G466 S472	V465-S468 PolarHBondContact O-OG 2.97Å; G466-S468 VanDerWaalsContact C-N 3.31Å; G466-S468 PolarHBondContact O-N 3.34Å; S468-S472 PolarHBondContact O-N 3.31Å; S468-S472 PolarHBondContact O-OG 2.67Å
469	L	66.8	Low	64.3	Low	10 Å²	10	69 Å²	69	5%	0.052	40%	0.401	C	S	.	.	H	α-helix	trans	-65.3	-48.3	173.5	-173.4	85.6	0	0	0	109.9	N449 H454 L464 G466 S472 H473	N449-L469 HydrophobicContact CB-CD2 4Å; N449-L469 HydrophobicContact CB-CG 4.48Å; H454-L469 HydrophobicContact CB-CD2 4.3Å; L464-L469 HydrophobicContact CB-CB 4.39Å; L464-L469 HydrophobicContact CB-CD1 4.01Å; L464-L469 WeakPolarHBondContact O-CD1 3.32Å; G466-L469 PolarHBondContact O-N 3.33Å; L469-S472 PolarHBondContact O-OG 3.16Å; L469-H473 PolarHBondContact O-N 3.45Å; L469-H473 PolarHBondContact O-ND1 2.72Å
470	S	67.4	Low	66.1	Low	0 Å²	0	66.7 Å²	66.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.9	-46.9	178.9	180	0	0	0	0	112	Q276 N449 L450 G466 S472 H473 M474	Q276-S470 WeakPolarHBondContact CG-OG 3.23Å; N449-S470 WeakPolarHBondContact O-CA 3.38Å; L450-S470 WeakPolarHBondContact O-CB 3.45Å; L450-S470 PolarHBondContact O-OG 3.08Å; G466-S470 PolarHBondContact O-N 2.91Å; S470-S472 PolarHBondContact O-N 2.83Å; S470-H473 PolarHBondContact O-N 2.9Å; S470-M474 VanDerWaalsContact O-CB 3.28Å; S470-M474 WeakPolarHBondContact O-CB 3.32Å; S470-M474 PolarHBondContact O-N 3.32Å
471	A	63.3	Low	68	Low	46 Å²	46	62.9 Å²	62.9	38%	0.38	35%	0.353	S	S	.	.	H	α-helix	trans	-59.7	-43.4	-179.3	0	0	0	0	0	113.5	S467 H473	S467-A471 WeakPolarHBondContact O-CB 3.45Å; S467-A471 PolarHBondContact O-N 2.99Å; A471-H473 VanDerWaalsContact C-N 3.34Å; A471-H473 PolarHBondContact O-N 2.81Å
472	S	74	Confident	70.2	Confident	61 Å²	61	55.6 Å²	55.6	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	-68.4	-31.8	179.2	52.9	0	0	0	0	113.1	S468 L469 S470	S468-S472 PolarHBondContact O-N 3.31Å; S468-S472 PolarHBondContact O-OG 2.67Å; L469-S472 PolarHBondContact O-OG 3.16Å; S470-S472 PolarHBondContact O-N 2.83Å
473	H	77.2	Confident	72.3	Confident	55 Å²	55	54.8 Å²	54.8	26%	0.255	31%	0.308	S	S	.	.	H	α-helix	trans	-90.3	-21.2	179.8	-67.1	77.8	0	0	0	112.8	L450 L469 S470 A471 E475 T476 T477	L450-H473 HydrophobicContact CD2-CB 4.39Å; L469-H473 PolarHBondContact O-N 3.45Å; L469-H473 PolarHBondContact O-ND1 2.72Å; S470-H473 PolarHBondContact O-N 2.9Å; A471-H473 VanDerWaalsContact C-N 3.34Å; A471-H473 PolarHBondContact O-N 2.81Å; H473-E475 PolarHBondContact O-N 2.8Å; H473-T476 PolarHBondContact O-N 3.48Å; H473-T477 VanDerWaalsContact O-CB 3.28Å; H473-T477 WeakPolarHBondContact O-CB 3.45Å; H473-T477 PolarHBondContact O-N 3.19Å; H473-T477 PolarHBondContact O-OG1 2.94Å
474	M	82.9	Confident	74.4	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-57.3	-53.8	-174.4	-173.2	60.5	71.5	0	0	111.8	L273 Q276 A277 Y280 L450 S470 T476 T477 M478	L273-M474 HydrophobicContact CD1-CE 4.12Å; Q276-M474 HydrophobicContact CB-CE 3.7Å; A277-M474 HydrophobicContact CB-CE 4.44Å; Y280-M474 HydrophobicContact CD2-CG 4.24Å; Y280-M474 HydrophobicContact CG-CG 3.96Å; L450-M474 HydrophobicContact CD2-CB 4.37Å; L450-M474 HydrophobicContact CD2-CE 3.9Å; L450-M474 HydrophobicContact CD2-SD 3.95Å; S470-M474 VanDerWaalsContact O-CB 3.28Å; S470-M474 WeakPolarHBondContact O-CB 3.32Å; S470-M474 PolarHBondContact O-N 3.32Å; M474-T476 PolarHBondContact O-N 2.98Å; M474-T477 PolarHBondContact O-N 2.85Å; M474-M478 HydrophobicContact CG-CG 4.42Å; M474-M478 WeakPolarHBondContact O-CB 3.4Å; M474-M478 WeakPolarHBondContact O-CG 3.33Å; M474-M478 PolarHBondContact O-N 3.47Å; M474-M478 HydrophobicContact SD-CE 3.34Å; M474-M478 WeakPolarHBondContact SD-CE 3.34Å; M474-M478 HydrophobicContact SD-CG 4.01Å
475	E	85	Confident	76.3	Confident	89 Å²	89	41.4 Å²	41.4	42%	0.416	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-48	-178.5	-177.3	-177.6	169.3	0	0	112.1	Y280 H473 T477 M478 K479	Y280-E475 HydrophobicContact CD2-CB 4.5Å; Y280-E475 HydrophobicContact CE2-CB 3.87Å; Y280-E475 HydrophobicContact CE2-CG 3.98Å; H473-E475 PolarHBondContact O-N 2.8Å; E475-T477 PolarHBondContact O-N 3.08Å; E475-M478 PolarHBondContact O-N 2.92Å; E475-K479 HydrophobicContact CG-CD 4.25Å; E475-K479 WeakPolarHBondContact O-CB 3.44Å; E475-K479 WeakPolarHBondContact O-CG 3.28Å; E475-K479 PolarHBondContact O-N 2.89Å; E475-K479 WeakPolarHBondContact OE1-CE 3.41Å; E475-K479 IonicContact OE1-NZ 3.8Å; E475-K479 PolarHBondContact OE1-NZ 3.16Å
476	T	85.7	Confident	78.1	Confident	72 Å²	72	38.9 Å²	38.9	44%	0.442	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-46.7	-179.2	-55.1	0	0	0	0	110.8	H473 M474 K479 L480	H473-T476 PolarHBondContact O-N 3.48Å; M474-T476 PolarHBondContact O-N 2.98Å; T476-K479 PolarHBondContact O-N 2.94Å; T476-L480 HydrophobicContact CG2-CD1 4.23Å; T476-L480 VanDerWaalsContact O-CG 3.32Å; T476-L480 WeakPolarHBondContact O-CG 3.23Å; T476-L480 PolarHBondContact O-N 2.97Å
477	T	86.5	Confident	79.5	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-68.2	-41	-177.9	-41.8	0	0	0	0	111	Y408 W446 L450 H473 M474 E475 K479 L480 L481	Y408-T477 HydrophobicContact CE2-CG2 4.03Å; Y408-T477 PolarHBondContact OH-OG1 3.01Å; W446-T477 HydrophobicContact CB-CG2 4.39Å; W446-T477 HydrophobicContact CD2-CG2 4.08Å; W446-T477 HydrophobicContact CE3-CG2 3.59Å; W446-T477 HydrophobicContact CG-CG2 4.43Å; W446-T477 HydrophobicContact CZ3-CG2 4.24Å; L450-T477 HydrophobicContact CD1-CG2 4.18Å; H473-T477 VanDerWaalsContact O-CB 3.28Å; H473-T477 WeakPolarHBondContact O-CB 3.45Å; H473-T477 PolarHBondContact O-N 3.19Å; H473-T477 PolarHBondContact O-OG1 2.94Å; M474-T477 PolarHBondContact O-N 2.85Å; E475-T477 PolarHBondContact O-N 3.08Å; T477-K479 PolarHBondContact O-N 2.6Å; T477-L480 PolarHBondContact O-N 3.45Å; T477-L481 HydrophobicContact CG2-CD1 4.5Å; T477-L481 WeakPolarHBondContact O-CB 3.41Å; T477-L481 VanDerWaalsContact O-CG 3.25Å; T477-L481 WeakPolarHBondContact O-CG 3.5Å; T477-L481 PolarHBondContact O-N 3.19Å
478	M	85.9	Confident	81.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-38.9	175.7	-68.8	-61.8	171.1	0	0	112.5	Y280 L288 L355 M474 E475 L481 R482	Y280-M478 HydrophobicContact CD1-CG 4.28Å; Y280-M478 HydrophobicContact CE1-CB 3.99Å; Y280-M478 HydrophobicContact CE1-CG 3.99Å; L288-M478 HydrophobicContact CD1-CE 3.99Å; L288-M478 HydrophobicContact CD1-CG 4.47Å; L288-M478 HydrophobicContact CD1-SD 3.94Å; L355-M478 HydrophobicContact CD1-SD 3.68Å; L355-M478 HydrophobicContact CD2-SD 3.86Å; L355-M478 HydrophobicContact CG-SD 4.33Å; M474-M478 HydrophobicContact CG-CG 4.42Å; M474-M478 WeakPolarHBondContact O-CB 3.4Å; M474-M478 WeakPolarHBondContact O-CG 3.33Å; M474-M478 PolarHBondContact O-N 3.47Å; M474-M478 HydrophobicContact SD-CE 3.34Å; M474-M478 WeakPolarHBondContact SD-CE 3.34Å; M474-M478 HydrophobicContact SD-CG 4.01Å; E475-M478 PolarHBondContact O-N 2.92Å; M478-L481 HydrophobicContact SD-CD1 4.15Å; M478-R482 WeakPolarHBondContact O-CG 3.46Å; M478-R482 PolarHBondContact O-N 3.44Å; M478-R482 VanDerWaalsContact O-N 3.13Å
479	K	85.8	Confident	82.5	Confident	122 Å²	122	32.4 Å²	32.4	53%	0.53	18%	0.178	S	C	.	.	H	α-helix	trans	-63.9	-43.9	172.6	-77	174.1	174.8	170.8	0	111.9	E475 T476 T477 R482 G483	E475-K479 HydrophobicContact CG-CD 4.25Å; E475-K479 WeakPolarHBondContact O-CB 3.44Å; E475-K479 WeakPolarHBondContact O-CG 3.28Å; E475-K479 PolarHBondContact O-N 2.89Å; E475-K479 WeakPolarHBondContact OE1-CE 3.41Å; E475-K479 IonicContact OE1-NZ 3.8Å; E475-K479 PolarHBondContact OE1-NZ 3.16Å; T476-K479 PolarHBondContact O-N 2.94Å; T477-K479 PolarHBondContact O-N 2.6Å; K479-R482 PolarHBondContact O-N 2.93Å; K479-G483 PolarHBondContact O-N 3.37Å
480	L	86.6	Confident	83.5	Confident	58 Å²	58	32.7 Å²	32.7	30%	0.304	18%	0.183	S	C	.	.	H	α-helix	trans	-64.3	-41.9	177.4	-71.7	174.6	0	0	0	112.1	L407 Y408 T476 T477 G483 R484	L407-L480 HydrophobicContact CD2-CB 4.28Å; Y408-L480 HydrophobicContact CE1-CD1 4.24Å; Y408-L480 HydrophobicContact CE2-CD1 4.46Å; T476-L480 HydrophobicContact CG2-CD1 4.23Å; T476-L480 VanDerWaalsContact O-CG 3.32Å; T476-L480 WeakPolarHBondContact O-CG 3.23Å; T476-L480 PolarHBondContact O-N 2.97Å; T477-L480 PolarHBondContact O-N 3.45Å; L480-G483 PolarHBondContact O-N 3.4Å; L480-R484 VanDerWaalsContact O-CB 3.3Å; L480-R484 WeakPolarHBondContact O-CB 3.49Å; L480-R484 PolarHBondContact O-N 3.46Å
481	L	88.1	Confident	84.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-47.1	176.4	-72.1	171.5	0	0	0	111.6	L355 L363 L365 L404 L407 W446 T477 M478 R484 V485	L355-L481 HydrophobicContact CD1-CB 4.32Å; L355-L481 HydrophobicContact CD1-CD1 4.18Å; L363-L481 HydrophobicContact CD2-CB 4.27Å; L363-L481 HydrophobicContact CD2-CD2 4.48Å; L365-L481 HydrophobicContact CD1-CD1 3.99Å; L404-L481 HydrophobicContact CD1-CD2 3.79Å; L404-L481 HydrophobicContact CD2-CD2 3.62Å; L404-L481 HydrophobicContact CG-CD2 4.33Å; L407-L481 HydrophobicContact CD1-CD2 3.57Å; L407-L481 HydrophobicContact CD2-CD2 4.25Å; W446-L481 HydrophobicContact CH2-CD2 4.25Å; W446-L481 HydrophobicContact CZ2-CD2 4.49Å; W446-L481 HydrophobicContact CZ3-CD1 4.37Å; T477-L481 HydrophobicContact CG2-CD1 4.5Å; T477-L481 WeakPolarHBondContact O-CB 3.41Å; T477-L481 VanDerWaalsContact O-CG 3.25Å; T477-L481 WeakPolarHBondContact O-CG 3.5Å; T477-L481 PolarHBondContact O-N 3.19Å; M478-L481 HydrophobicContact SD-CD1 4.15Å; L481-R484 WeakPolarHBondContact O-CB 3.38Å; L481-R484 PolarHBondContact O-N 3.13Å; L481-V485 WeakPolarHBondContact O-CG2 3.3Å; L481-V485 PolarHBondContact O-N 2.95Å
482	R	86.7	Confident	85.7	Confident	53 Å²	53	31.1 Å²	31.1	20%	0.2	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-45.2	175.7	-74.3	179.3	176.5	179.4	-1.3	112.3	D285 M478 K479 R484 V485 L486	D285-R482 IonicContact OD1-CZ 2.92Å; D285-R482 IonicContact OD1-NH1 3.5Å; D285-R482 IonicContact OD1-NH2 3.94Å; D285-R482 PolarHBondContact OD1-NH2 2.81Å; D285-R482 IonicContact OD2-CZ 2.73Å; D285-R482 IonicContact OD2-NH1 3.44Å; D285-R482 PolarHBondContact OD2-NH1 3.34Å; D285-R482 IonicContact OD2-NH2 3.8Å; D285-R482 PolarHBondContact OD2-NH2 2.91Å; M478-R482 WeakPolarHBondContact O-CG 3.46Å; M478-R482 PolarHBondContact O-N 3.44Å; M478-R482 VanDerWaalsContact O-N 3.13Å; K479-R482 PolarHBondContact O-N 2.93Å; R482-R484 VanDerWaalsContact C-N 3.27Å; R482-R484 PolarHBondContact O-N 2.8Å; R482-V485 PolarHBondContact O-N 3.28Å; R482-L486 WeakPolarHBondContact O-CB 3.48Å; R482-L486 WeakPolarHBondContact O-CG 3.41Å; R482-L486 PolarHBondContact O-N 2.9Å
483	G	86	Confident	86.3	Confident	33 Å²	33	34.4 Å²	34.4	34%	0.34	17%	0.174	S	C	.	.	H	α-helix	trans	-57.4	-42.4	175.5	0	0	0	0	0	111.7	K479 L480 S487	K479-G483 PolarHBondContact O-N 3.37Å; L480-G483 PolarHBondContact O-N 3.4Å; G483-S487 VanDerWaalsContact O-CB 3.25Å; G483-S487 WeakPolarHBondContact O-CB 3.39Å; G483-S487 PolarHBondContact O-N 3.46Å; G483-S487 PolarHBondContact O-OG 2.95Å
484	R	88.1	Confident	86.9	Confident	13 Å²	13	31.9 Å²	31.9	5%	0.049	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-51.8	177.2	-179.7	61	65.1	90.3	-1.4	111.6	L403 L404 S405 C406 L407 L480 L481 R482 L486 S487 R488 P573	L403-R484 WeakPolarHBondContact O-CG 3.49Å; L403-R484 PolarHBondContact O-NH1 2.98Å; L404-R484 HydrophobicContact CD2-CG 4.44Å; S405-R484 PolarHBondContact O-NH1 3.35Å; C406-R484 PolarHBondContact O-NH2 2.87Å; L407-R484 HydrophobicContact CD2-CB 4.19Å; L407-R484 HydrophobicContact CD2-CG 4.46Å; L480-R484 VanDerWaalsContact O-CB 3.3Å; L480-R484 WeakPolarHBondContact O-CB 3.49Å; L480-R484 PolarHBondContact O-N 3.46Å; L481-R484 WeakPolarHBondContact O-CB 3.38Å; L481-R484 PolarHBondContact O-N 3.13Å; R482-R484 VanDerWaalsContact C-N 3.27Å; R482-R484 PolarHBondContact O-N 2.8Å; R484-L486 PolarHBondContact O-N 2.87Å; R484-S487 WeakPolarHBondContact CA-OG 3.37Å; R484-S487 PolarHBondContact O-N 3Å; R484-S487 PolarHBondContact O-OG 3.06Å; R484-R488 HydrophobicContact CG-CG 4.43Å; R484-R488 WeakPolarHBondContact O-CB 3.28Å; R484-R488 VanDerWaalsContact O-CG 3.26Å; R484-R488 WeakPolarHBondContact O-CG 3.48Å; R484-R488 PolarHBondContact O-N 3.28Å; R484-P573 PolarHBondContact NE-O 3.28Å; R484-P573 VanDerWaalsContact NE-O 3.08Å; R484-P573 PolarHBondContact NH2-O 3.38Å
485	V	87.1	Confident	87.3	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-48.3	179.8	173.9	0	0	0	0	111	L363 L481 R482 S487 R488 L489	L363-V485 HydrophobicContact CB-CG2 4.05Å; L363-V485 HydrophobicContact CD1-CG2 4.11Å; L363-V485 HydrophobicContact CD2-CG2 3.74Å; L363-V485 HydrophobicContact CG-CG2 4.17Å; L481-V485 WeakPolarHBondContact O-CG2 3.3Å; L481-V485 PolarHBondContact O-N 2.95Å; R482-V485 PolarHBondContact O-N 3.28Å; V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 PolarHBondContact O-N 3.06Å; V485-R488 PolarHBondContact O-N 3.26Å; V485-L489 HydrophobicContact CG1-CD1 3.77Å; V485-L489 HydrophobicContact CG1-CG 4.33Å; V485-L489 WeakPolarHBondContact O-CB 3.49Å; V485-L489 VanDerWaalsContact O-CG 3.32Å; V485-L489 WeakPolarHBondContact O-CG 3.41Å; V485-L489 PolarHBondContact O-N 2.9Å
486	L	87.6	Confident	87.4	Confident	50 Å²	50	28.8 Å²	28.8	26%	0.262	15%	0.152	S	C	.	.	H	α-helix	trans	-61.9	-41.1	178.4	-68.4	173.9	0	0	0	112.2	C357 D359 R482 R484 A490	C357-L486 HydrophobicContact CB-CD2 4.23Å; D359-L486 HydrophobicContact CB-CD2 4.35Å; R482-L486 WeakPolarHBondContact O-CB 3.48Å; R482-L486 WeakPolarHBondContact O-CG 3.41Å; R482-L486 PolarHBondContact O-N 2.9Å; R484-L486 PolarHBondContact O-N 2.87Å; L486-A490 VanDerWaalsContact O-CB 3.3Å; L486-A490 WeakPolarHBondContact O-CB 3.32Å; L486-A490 PolarHBondContact O-N 2.69Å
487	S	88	Confident	87.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-40.3	176.8	72.8	0	0	0	0	112.5	G483 R484 V485 A490 L491 Y575	G483-S487 VanDerWaalsContact O-CB 3.25Å; G483-S487 WeakPolarHBondContact O-CB 3.39Å; G483-S487 PolarHBondContact O-N 3.46Å; G483-S487 PolarHBondContact O-OG 2.95Å; R484-S487 WeakPolarHBondContact CA-OG 3.37Å; R484-S487 PolarHBondContact O-N 3Å; R484-S487 PolarHBondContact O-OG 3.06Å; V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 PolarHBondContact O-N 3.06Å; S487-A490 PolarHBondContact O-N 3.39Å; S487-L491 WeakPolarHBondContact O-CB 3.42Å; S487-L491 WeakPolarHBondContact O-CG 3.46Å; S487-L491 PolarHBondContact O-N 2.89Å; S487-Y575 WeakPolarHBondContact CB-O 3.49Å; S487-Y575 PolarHBondContact OG-O 2.65Å
488	R	87.8	Confident	87.8	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-71.8	-39.5	179.9	-69.3	-71.7	-177.4	136.5	0.8	111.7	L398 L403 R484 V485 L491 H492 P573	L398-R488 HydrophobicContact CD2-CB 4.4Å; L403-R488 HydrophobicContact CD1-CB 4.25Å; L403-R488 HydrophobicContact CD1-CG 4Å; R484-R488 HydrophobicContact CG-CG 4.43Å; R484-R488 WeakPolarHBondContact O-CB 3.28Å; R484-R488 VanDerWaalsContact O-CG 3.26Å; R484-R488 WeakPolarHBondContact O-CG 3.48Å; R484-R488 PolarHBondContact O-N 3.28Å; V485-R488 PolarHBondContact O-N 3.26Å; R488-L491 PolarHBondContact O-N 3.37Å; R488-H492 WeakPolarHBondContact O-CB 3.29Å; R488-H492 PolarHBondContact O-N 3.04Å; R488-P573 VanDerWaalsContact NH2-CA 3.33Å
489	L	86.4	Confident	87.9	Confident	7 Å²	7	29 Å²	29	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-66.5	-38	173	-69.1	174.2	0	0	0	111.9	D359 S361 T384 L388 L398 V485 H492 K493	D359-L489 WeakPolarHBondContact OD2-CD1 3.49Å; S361-L489 VanDerWaalsContact OG-CD1 3.31Å; S361-L489 WeakPolarHBondContact OG-CD1 3.25Å; T384-L489 HydrophobicContact CG2-CD1 4.46Å; T384-L489 HydrophobicContact CG2-CD2 3.69Å; L388-L489 HydrophobicContact CD1-CD2 4.04Å; L398-L489 HydrophobicContact CD1-CD2 4.44Å; L398-L489 HydrophobicContact CD2-CD2 4.14Å; V485-L489 HydrophobicContact CG1-CD1 3.77Å; V485-L489 HydrophobicContact CG1-CG 4.33Å; V485-L489 WeakPolarHBondContact O-CB 3.49Å; V485-L489 VanDerWaalsContact O-CG 3.32Å; V485-L489 WeakPolarHBondContact O-CG 3.41Å; V485-L489 PolarHBondContact O-N 2.9Å; L489-H492 PolarHBondContact O-N 3.15Å; L489-K493 WeakPolarHBondContact O-CG 3.49Å; L489-K493 PolarHBondContact O-N 3.27Å
490	A	88	Confident	88	Confident	17 Å²	17	29.8 Å²	29.8	14%	0.14	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-46.7	173.5	0	0	0	0	0	111.7	L486 S487 H492 K493 Q494 H621	L486-A490 VanDerWaalsContact O-CB 3.3Å; L486-A490 WeakPolarHBondContact O-CB 3.32Å; L486-A490 PolarHBondContact O-N 2.69Å; S487-A490 PolarHBondContact O-N 3.39Å; A490-H492 VanDerWaalsContact C-N 3.33Å; A490-H492 PolarHBondContact O-N 2.92Å; A490-K493 PolarHBondContact O-N 2.89Å; A490-Q494 VanDerWaalsContact O-CG 3.28Å; A490-Q494 WeakPolarHBondContact O-CG 3.46Å; A490-Q494 PolarHBondContact O-N 3.3Å; A490-H621 HydrophobicContact CB-CB 3.78Å
491	L	89.2	Confident	88.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-41.7	174.3	-77.4	171.5	0	0	0	111.9	L397 S487 R488 K493 Q494 F495 L571 Y575 L624	L397-L491 HydrophobicContact CD1-CB 3.83Å; L397-L491 HydrophobicContact CD2-CD1 4.48Å; S487-L491 WeakPolarHBondContact O-CB 3.42Å; S487-L491 WeakPolarHBondContact O-CG 3.46Å; S487-L491 PolarHBondContact O-N 2.89Å; R488-L491 PolarHBondContact O-N 3.37Å; L491-K493 VanDerWaalsContact C-N 3.35Å; L491-K493 PolarHBondContact O-N 3Å; L491-Q494 CarbonylContact O-C 3.53Å; L491-Q494 WeakPolarHBondContact O-CB 3.39Å; L491-Q494 PolarHBondContact O-N 3.01Å; L491-Q494 VanDerWaalsContact O-N 3.14Å; L491-F495 HydrophobicContact CD2-CE1 4.37Å; L491-F495 HydrophobicContact CD2-CZ 4.48Å; L491-F495 WeakPolarHBondContact O-CB 3.47Å; L491-F495 WeakPolarHBondContact O-CG 3.32Å; L491-F495 PolarHBondContact O-N 3.44Å; L491-L571 HydrophobicContact CD1-CD2 3.9Å; L491-L571 HydrophobicContact CD2-CD2 4.29Å; L491-Y575 HydrophobicContact CD1-CD1 3.47Å; L491-Y575 VanDerWaalsContact CD1-CD1 3.47Å; L491-Y575 HydrophobicContact CD1-CE1 4.02Å; L491-Y575 HydrophobicContact CD1-CG 4.03Å; L491-Y575 HydrophobicContact CD2-CD1 3.92Å; L491-Y575 HydrophobicContact CD2-CE1 3.62Å; L491-Y575 HydrophobicContact CG-CD1 3.68Å; L491-Y575 HydrophobicContact CG-CE1 3.67Å; L491-L624 HydrophobicContact CD2-CD2 3.94Å
492	H	87.9	Confident	88.2	Confident	12 Å²	12	35.4 Å²	35.4	6%	0.056	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-46.2	176.4	-175.5	-67	0	0	0	111.5	N389 A394 L397 R488 L489 A490 Q494 F495 A496	N389-H492 PolarHBondContact O-CE1 3.36Å; A394-H492 VanDerWaalsContact CB-CD2 3.48Å; A394-H492 WeakPolarHBondContact CB-CD2 3.45Å; L397-H492 HydrophobicContact CD1-CB 4.44Å; R488-H492 WeakPolarHBondContact O-CB 3.29Å; R488-H492 PolarHBondContact O-N 3.04Å; L489-H492 PolarHBondContact O-N 3.15Å; A490-H492 VanDerWaalsContact C-N 3.33Å; A490-H492 PolarHBondContact O-N 2.92Å; H492-Q494 VanDerWaalsContact C-N 3.32Å; H492-Q494 PolarHBondContact O-N 3.38Å; H492-F495 PolarHBondContact O-N 3.01Å; H492-A496 WeakPolarHBondContact O-CB 3.48Å; H492-A496 PolarHBondContact O-N 2.94Å
493	K	87	Confident	88.3	Confident	129 Å²	129	34.7 Å²	34.7	56%	0.561	19%	0.186	S	C	*	.	H	α-helix	trans	-62.8	-38.5	175.1	-70.8	175.7	-178.1	178.5	0	112	L489 A490 L491 S497	L489-K493 WeakPolarHBondContact O-CG 3.49Å; L489-K493 PolarHBondContact O-N 3.27Å; A490-K493 PolarHBondContact O-N 2.89Å; L491-K493 VanDerWaalsContact C-N 3.35Å; L491-K493 PolarHBondContact O-N 3Å; K493-S497 PolarHBondContact O-N 3.45Å
494	Q	89.4	Confident	88.4	Confident	3 Å²	3	35 Å²	35	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-67.1	-46.4	177	-70.8	168.1	5.5	0	0	111.8	A490 L491 H492 A496 S497 L498 P504 H621 Q622 T625	A490-Q494 VanDerWaalsContact O-CG 3.28Å; A490-Q494 WeakPolarHBondContact O-CG 3.46Å; A490-Q494 PolarHBondContact O-N 3.3Å; L491-Q494 CarbonylContact O-C 3.53Å; L491-Q494 WeakPolarHBondContact O-CB 3.39Å; L491-Q494 PolarHBondContact O-N 3.01Å; L491-Q494 VanDerWaalsContact O-N 3.14Å; H492-Q494 VanDerWaalsContact C-N 3.32Å; H492-Q494 PolarHBondContact O-N 3.38Å; Q494-A496 VanDerWaalsContact C-N 3.33Å; Q494-A496 PolarHBondContact O-N 3.19Å; Q494-S497 WeakPolarHBondContact O-CA 3.26Å; Q494-S497 WeakPolarHBondContact O-CB 3.48Å; Q494-S497 PolarHBondContact O-N 3.36Å; Q494-L498 VanDerWaalsContact O-CG 3.31Å; Q494-L498 WeakPolarHBondContact O-CG 3.48Å; Q494-L498 PolarHBondContact O-N 2.96Å; Q494-P504 HydrophobicContact CG-CG 4.38Å; Q494-H621 PolarHBondContact NE2-O 3.11Å; Q494-Q622 VanDerWaalsContact NE2-CD 3.26Å; Q494-T625 HydrophobicContact CB-CG2 3.93Å; Q494-T625 HydrophobicContact CG-CG2 3.68Å
495	F	90.2	Very high	88.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-41.9	178.1	-71.3	-5.3	0	0	0	111.9	S393 A394 L397 L491 H492 S497 L498 E499 W524 F554 L571 L624	S393-F495 WeakPolarHBondContact O-CD2 3.44Å; A394-F495 HydrophobicContact CB-CB 4.4Å; A394-F495 HydrophobicContact CB-CD2 4.19Å; L397-F495 HydrophobicContact CD1-CD2 3.47Å; L397-F495 VanDerWaalsContact CD1-CD2 3.47Å; L397-F495 HydrophobicContact CD1-CE2 3.45Å; L397-F495 VanDerWaalsContact CD1-CE2 3.45Å; L397-F495 HydrophobicContact CD1-CG 4.49Å; L397-F495 HydrophobicContact CD1-CZ 4.45Å; L397-F495 HydrophobicContact CD2-CE2 4.21Å; L397-F495 HydrophobicContact CG-CD2 4.32Å; L397-F495 HydrophobicContact CG-CE2 4.01Å; L491-F495 HydrophobicContact CD2-CE1 4.37Å; L491-F495 HydrophobicContact CD2-CZ 4.48Å; L491-F495 WeakPolarHBondContact O-CB 3.47Å; L491-F495 WeakPolarHBondContact O-CG 3.32Å; L491-F495 PolarHBondContact O-N 3.44Å; H492-F495 PolarHBondContact O-N 3.01Å; F495-S497 PolarHBondContact O-N 2.92Å; F495-L498 HydrophobicContact CD1-CD1 4.16Å; F495-L498 PolarHBondContact O-N 2.9Å; F495-L498 VanDerWaalsContact O-N 3.15Å; F495-E499 WeakPolarHBondContact O-CG 3.47Å; F495-E499 PolarHBondContact O-N 2.9Å; F495-W524 HydrophobicContact CD1-CZ2 4.31Å; F495-W524 AromaticContact CD1-NE1 3.79Å; F495-W524 AromaticContact CE1-CZ2 3.71Å; F495-W524 HydrophobicContact CE1-CZ2 3.71Å; F495-W524 AromaticContact CE1-NE1 3.99Å; F495-W524 HydrophobicContact CZ-CZ2 4.24Å; F495-F554 HydrophobicContact CD2-CE1 4.46Å; F495-F554 HydrophobicContact CD2-CZ 4.46Å; F495-F554 AromaticContact CE2-CE1 3.71Å; F495-F554 HydrophobicContact CE2-CE1 3.71Å; F495-F554 HydrophobicContact CE2-CE2 4.09Å; F495-F554 AromaticContact CE2-CZ 3.37Å; F495-F554 HydrophobicContact CE2-CZ 3.37Å; F495-F554 HydrophobicContact CZ-CD2 4.35Å; F495-F554 AromaticContact CZ-CE1 3.89Å; F495-F554 HydrophobicContact CZ-CE1 3.89Å; F495-F554 AromaticContact CZ-CE2 3.68Å; F495-F554 HydrophobicContact CZ-CE2 3.68Å; F495-F554 AromaticContact CZ-CZ 3.43Å; F495-F554 HydrophobicContact CZ-CZ 3.43Å; F495-F554 VanDerWaalsContact CZ-CZ 3.43Å; F495-L571 HydrophobicContact CZ-CD2 4.11Å; F495-L624 HydrophobicContact CD1-CD2 4.44Å; F495-L624 HydrophobicContact CE1-CD2 3.58Å; F495-L624 HydrophobicContact CZ-CD2 4.39Å
496	A	88.4	Confident	88.2	Confident	27 Å²	27	38.6 Å²	38.6	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-56.3	-38.7	172.7	0	0	0	0	0	112	A391 H492 Q494 H500	A391-A496 HydrophobicContact CB-CB 4.15Å; H492-A496 WeakPolarHBondContact O-CB 3.48Å; H492-A496 PolarHBondContact O-N 2.94Å; Q494-A496 VanDerWaalsContact C-N 3.33Å; Q494-A496 PolarHBondContact O-N 3.19Å; A496-H500 PolarHBondContact O-ND1 3.24Å
497	S	89.4	Confident	88.1	Confident	27 Å²	27	39.8 Å²	39.8	19%	0.189	22%	0.221	C	C	.	.	H	α-helix	trans	-73.2	-41.4	174.9	-173.9	0	0	0	0	112.9	K493 Q494 F495 E499 H500 N501 I502	K493-S497 PolarHBondContact O-N 3.45Å; Q494-S497 WeakPolarHBondContact O-CA 3.26Å; Q494-S497 WeakPolarHBondContact O-CB 3.48Å; Q494-S497 PolarHBondContact O-N 3.36Å; F495-S497 PolarHBondContact O-N 2.92Å; S497-E499 VanDerWaalsContact C-N 3.34Å; S497-E499 PolarHBondContact O-N 2.93Å; S497-H500 CarbonylContact O-C 3.44Å; S497-H500 PolarHBondContact O-N 2.91Å; S497-H500 VanDerWaalsContact O-N 3.13Å; S497-N501 PolarHBondContact O-N 2.92Å; S497-I502 CarbonylContact C-O 3.57Å; S497-I502 PolarHBondContact O-N 2.9Å; S497-I502 VanDerWaalsContact O-N 3.12Å; S497-I502 PolarHBondContact OG-O 3.35Å
498	L	89.9	Confident	87.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67	-33.4	-177.5	-68.7	173.2	0	0	0	112.4	Q494 F495 H500 N501 I503 L521 W524 I628	Q494-L498 VanDerWaalsContact O-CG 3.31Å; Q494-L498 WeakPolarHBondContact O-CG 3.48Å; Q494-L498 PolarHBondContact O-N 2.96Å; F495-L498 HydrophobicContact CD1-CD1 4.16Å; F495-L498 PolarHBondContact O-N 2.9Å; F495-L498 VanDerWaalsContact O-N 3.15Å; L498-H500 PolarHBondContact O-N 2.85Å; L498-N501 WeakPolarHBondContact O-CA 3.39Å; L498-N501 PolarHBondContact O-N 2.81Å; L498-I503 HydrophobicContact CD2-CG1 4.16Å; L498-L521 HydrophobicContact CB-CD2 4.1Å; L498-L521 HydrophobicContact CD2-CD2 3.56Å; L498-L521 HydrophobicContact CG-CD2 4.4Å; L498-W524 HydrophobicContact CB-CB 4.2Å; L498-W524 HydrophobicContact CB-CD2 4.49Å; L498-W524 HydrophobicContact CB-CG 3.99Å; L498-W524 HydrophobicContact CD1-CD2 4.3Å; L498-I628 HydrophobicContact CD1-CD1 3.82Å; L498-I628 HydrophobicContact CD2-CD1 4.04Å
499	E	87.9	Confident	87.8	Confident	51 Å²	51	45.6 Å²	45.6	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-29.6	172.7	-74.5	-177	171	0	0	112.9	A391 I392 S393 F495 S497 N501	A391-E499 VanDerWaalsContact CA-OE2 3.27Å; A391-E499 WeakPolarHBondContact CA-OE2 3.44Å; A391-E499 VanDerWaalsContact CB-OE2 3.32Å; A391-E499 WeakPolarHBondContact CB-OE2 3.47Å; I392-E499 PolarHBondContact N-OE1 3.4Å; I392-E499 PolarHBondContact N-OE2 3.27Å; S393-E499 WeakPolarHBondContact CA-OE1 3.5Å; S393-E499 WeakPolarHBondContact CB-OE1 3.27Å; S393-E499 PolarHBondContact N-OE1 2.98Å; S393-E499 PolarHBondContact OG-OE1 2.88Å; F495-E499 WeakPolarHBondContact O-CG 3.47Å; F495-E499 PolarHBondContact O-N 2.9Å; S497-E499 VanDerWaalsContact C-N 3.34Å; S497-E499 PolarHBondContact O-N 2.93Å; E499-N501 PolarHBondContact O-N 2.8Å
500	H	88.1	Confident	87.8	Confident	139 Å²	139	51.1 Å²	51.1	64%	0.644	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	12.4	171.1	-65.2	88.4	0	0	0	112.2	A496 S497 L498 I502	A496-H500 PolarHBondContact O-ND1 3.24Å; S497-H500 CarbonylContact O-C 3.44Å; S497-H500 PolarHBondContact O-N 2.91Å; S497-H500 VanDerWaalsContact O-N 3.13Å; L498-H500 PolarHBondContact O-N 2.85Å; H500-I502 HydrophobicContact CB-CD1 4.47Å; H500-I502 PolarHBondContact O-N 2.66Å
501	N	89.1	Confident	87.8	Confident	71 Å²	71	54.5 Å²	54.5	38%	0.38	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	21.2	180	-64.7	-31.1	0	0	0	114.4	S497 L498 E499 L521 A522	S497-N501 PolarHBondContact O-N 2.92Å; L498-N501 WeakPolarHBondContact O-CA 3.39Å; L498-N501 PolarHBondContact O-N 2.81Å; E499-N501 PolarHBondContact O-N 2.8Å; N501-L521 VanDerWaalsContact CB-O 3.29Å; N501-L521 WeakPolarHBondContact CB-O 3.46Å; N501-A522 PolarHBondContact ND2-O 3.26Å; N501-A522 VanDerWaalsContact ND2-O 3.11Å; N501-A522 VanDerWaalsContact OD1-C 3.25Å; N501-A522 PolarHBondContact OD1-O 3.19Å
502	I	89.1	Confident	87.7	Confident	105 Å²	105	55.5 Å²	55.5	54%	0.538	29%	0.292	S	S	.	.			trans	-108.7	123	178.6	-61.9	166.5	0	0	0	108.5	S497 H500 P504	S497-I502 CarbonylContact C-O 3.57Å; S497-I502 PolarHBondContact O-N 2.9Å; S497-I502 VanDerWaalsContact O-N 3.12Å; S497-I502 PolarHBondContact OG-O 3.35Å; H500-I502 HydrophobicContact CB-CD1 4.47Å; H500-I502 PolarHBondContact O-N 2.66Å; I502-P504 VanDerWaalsContact O-CD 3.24Å; I502-P504 WeakPolarHBondContact O-CD 3.1Å
503	I	90	Very high	87.8	Confident	38 Å²	38	55.3 Å²	55.3	20%	0.195	29%	0.291	C	S	.	.			trans	-87.4	108.9	174.4	-56	164.2	0	0	0	108.3	L498 I505 L521 I628 A629	L498-I503 HydrophobicContact CD2-CG1 4.16Å; I503-I505 HydrophobicContact CG2-CG1 4.27Å; I503-I505 PolarHBondContact O-N 3.36Å; I503-L521 HydrophobicContact CD1-CB 4.2Å; I503-L521 HydrophobicContact CG1-CB 4.16Å; I503-L521 HydrophobicContact CG1-CD2 4.36Å; I503-I628 HydrophobicContact CD1-CG2 3.75Å; I503-I628 HydrophobicContact CG1-CG2 4.05Å; I503-A629 HydrophobicContact CG2-CB 4.2Å
504	P	87.3	Confident	87.9	Confident	38 Å²	38	50 Å²	50	25%	0.247	27%	0.27	C	S	.	.			trans	-80.1	111.6	-178	32.4	-31.5	0	0	0	109.7	Q494 I502 T625	Q494-P504 HydrophobicContact CG-CG 4.38Å; I502-P504 VanDerWaalsContact O-CD 3.24Å; I502-P504 WeakPolarHBondContact O-CD 3.1Å; P504-T625 HydrophobicContact CG-CG2 3.86Å; P504-T625 WeakPolarHBondContact O-CB 3.41Å; P504-T625 PolarHBondContact O-OG1 3.03Å
505	I	85.9	Confident	87.7	Confident	54 Å²	54	55.5 Å²	55.5	28%	0.277	32%	0.316	S	S	.	.			trans	-104	122.4	175.6	-57	173.2	0	0	0	108.5	I503 C509 Q510 F513 A629	I503-I505 HydrophobicContact CG2-CG1 4.27Å; I503-I505 PolarHBondContact O-N 3.36Å; I505-C509 HydrophobicContact CG2-CB 4.19Å; I505-Q510 HydrophobicContact CG2-CG 4.41Å; I505-F513 HydrophobicContact CD1-CD2 4.03Å; I505-F513 HydrophobicContact CD1-CE2 4.28Å; I505-F513 HydrophobicContact CG2-CD2 4.04Å; I505-F513 HydrophobicContact CG2-CE2 3.96Å; I505-A629 HydrophobicContact CD1-CB 3.81Å; I505-A629 HydrophobicContact CG1-CB 4.29Å
506	S	85.9	Confident	87.6	Confident	38 Å²	38	61.1 Å²	61.1	27%	0.266	34%	0.34	S	S	.	.			trans	-62.7	145.8	174.8	-180	0	0	0	0	110.8	E508 C509 Q510	S506-E508 PolarHBondContact O-N 2.95Å; S506-E508 VanDerWaalsContact O-N 3.12Å; S506-C509 PolarHBondContact O-N 3.3Å; S506-Q510 PolarHBondContact O-N 3.03Å
507	A	84.3	Confident	87.6	Confident	75 Å²	75	62.5 Å²	62.5	62%	0.62	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-52	-36.2	175.2	0	0	0	0	0	112.3	C509 Q510	A507-C509 VanDerWaalsContact C-N 3.25Å; A507-C509 PolarHBondContact O-N 2.7Å; A507-Q510 PolarHBondContact O-N 2.93Å
508	E	84.6	Confident	87.6	Confident	124 Å²	124	64 Å²	64	58%	0.579	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-67.9	-22.9	179.1	-61.8	168.3	161.1	0	0	113.1	S506 H511 P617	S506-E508 PolarHBondContact O-N 2.95Å; S506-E508 VanDerWaalsContact O-N 3.12Å; E508-H511 PolarHBondContact O-CE1 2.59Å; E508-H511 PolarHBondContact O-ND1 2.83Å; E508-P617 HydrophobicContact CB-CG 4.35Å; E508-P617 WeakPolarHBondContact OE2-CG 3.38Å
509	C	86.4	Confident	87.7	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-103	-1.6	-177.2	-64.8	0	0	0	0	113.4	I505 S506 A507 H511 L512 F513 N626	I505-C509 HydrophobicContact CG2-CB 4.19Å; S506-C509 PolarHBondContact O-N 3.3Å; A507-C509 VanDerWaalsContact C-N 3.25Å; A507-C509 PolarHBondContact O-N 2.7Å; C509-H511 PolarHBondContact O-N 3.27Å; C509-L512 HydrophobicContact CB-CD1 4.11Å; C509-L512 WeakPolarHBondContact O-CB 3.48Å; C509-L512 PolarHBondContact O-N 2.95Å; C509-F513 WeakPolarHBondContact O-CD2 3.48Å; C509-N626 PolarHBondContact SG-ND2 2.77Å; C509-N626 VanDerWaalsContact SG-ND2 3.41Å
510	Q	86.1	Confident	87.9	Confident	124 Å²	124	70.1 Å²	70.1	58%	0.579	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-58.8	-31.8	-179	-71.4	179.7	0.5	0	0	112.6	I505 S506 A507 L512 F513	I505-Q510 HydrophobicContact CG2-CG 4.41Å; S506-Q510 PolarHBondContact O-N 3.03Å; A507-Q510 PolarHBondContact O-N 2.93Å; Q510-L512 PolarHBondContact O-N 3.42Å; Q510-L512 VanDerWaalsContact O-N 3.15Å; Q510-F513 PolarHBondContact O-N 3.29Å
511	H	88.4	Confident	88.2	Confident	87 Å²	87	63.6 Å²	63.6	40%	0.403	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-64	-16.7	177.9	74.7	-89.1	0	0	0	113.9	E508 C509 F513 H677	E508-H511 PolarHBondContact O-CE1 2.59Å; E508-H511 PolarHBondContact O-ND1 2.83Å; C509-H511 PolarHBondContact O-N 3.27Å; H511-F513 VanDerWaalsContact C-N 3.26Å; H511-F513 PolarHBondContact O-N 3.02Å; H511-H677 WeakPolarHBondContact CA-CE1 3.32Å; H511-H677 WeakPolarHBondContact CA-NE2 3.41Å; H511-H677 WeakPolarHBondContact CB-CD2 3.39Å; H511-H677 WeakPolarHBondContact CB-NE2 3.49Å; H511-H677 WeakPolarHBondContact O-CB 3.16Å; H511-H677 PolarHBondContact O-ND1 2.81Å
512	L	86.9	Confident	88.4	Confident	23 Å²	23	61.4 Å²	61.4	12%	0.12	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-78.9	-13.6	180	-58.9	175.7	0	0	0	112.9	C509 Q510 E613 R630 Y675	C509-L512 HydrophobicContact CB-CD1 4.11Å; C509-L512 WeakPolarHBondContact O-CB 3.48Å; C509-L512 PolarHBondContact O-N 2.95Å; Q510-L512 PolarHBondContact O-N 3.42Å; Q510-L512 VanDerWaalsContact O-N 3.15Å; L512-E613 WeakPolarHBondContact CD2-O 3.4Å; L512-R630 PolarHBondContact O-NH1 3.25Å; L512-R630 PolarHBondContact O-NH2 3.05Å; L512-Y675 WeakPolarHBondContact O-CD1 3.3Å
513	F	89.9	Confident	88.6	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.035	33%	0.33	C	S	.	.	S	Bend	trans	-127	153.5	-170.4	-50.5	-70.3	0	0	0	111.5	I505 C509 Q510 H511 I517 L614 N626 A629 R630 V633 Y675	I505-F513 HydrophobicContact CD1-CD2 4.03Å; I505-F513 HydrophobicContact CD1-CE2 4.28Å; I505-F513 HydrophobicContact CG2-CD2 4.04Å; I505-F513 HydrophobicContact CG2-CE2 3.96Å; C509-F513 WeakPolarHBondContact O-CD2 3.48Å; Q510-F513 PolarHBondContact O-N 3.29Å; H511-F513 VanDerWaalsContact C-N 3.26Å; H511-F513 PolarHBondContact O-N 3.02Å; F513-I517 HydrophobicContact CB-CD1 4.25Å; F513-L614 HydrophobicContact CE1-CD2 4.31Å; F513-L614 HydrophobicContact CZ-CD2 4.33Å; F513-N626 WeakPolarHBondContact CE1-O 3.48Å; F513-N626 HydrophobicContact CZ-CB 3.88Å; F513-N626 WeakPolarHBondContact CZ-O 3.49Å; F513-A629 HydrophobicContact CD1-CB 4.04Å; F513-A629 HydrophobicContact CE1-CB 3.63Å; F513-A629 HydrophobicContact CE2-CB 4.16Å; F513-A629 HydrophobicContact CG-CB 4.49Å; F513-A629 HydrophobicContact CZ-CB 3.71Å; F513-R630 HydrophobicContact CE1-CB 4.1Å; F513-V633 HydrophobicContact CD1-CG2 4.29Å; F513-Y675 WeakPolarHBondContact O-CE1 3.31Å
514	P	89.4	Confident	88.7	Confident	17 Å²	17	61.4 Å²	61.4	11%	0.11	32%	0.323	C	S	.	.			trans	-67.7	153.7	169.7	31	-36.3	0	0	0	111.2	K516 I517 V633 Y675 F682	P514-K516 VanDerWaalsContact C-N 3.27Å; P514-K516 PolarHBondContact O-N 2.9Å; P514-I517 HydrophobicContact CG-CG1 4.41Å; P514-V633 HydrophobicContact CG-CG1 4.09Å; P514-V633 HydrophobicContact CG-CG2 3.9Å; P514-Y675 HydrophobicContact CB-CE2 3.95Å; P514-F682 HydrophobicContact CG-CZ 4.2Å
515	A	84.3	Confident	88.9	Confident	118 Å²	118	62 Å²	62	98%	0.975	33%	0.326	S	S	*	.	S	Bend	trans	-61.5	-30.6	-177.1	0	0	0	0	0	114.4
516	K	87.5	Confident	89.2	Confident	118 Å²	118	62.3 Å²	62.3	51%	0.513	33%	0.331	S	S	.	.			trans	-114.5	121.3	178.3	-168.6	179.4	179.3	-164.1	0	109	P514 E657 K658	P514-K516 VanDerWaalsContact C-N 3.27Å; P514-K516 PolarHBondContact O-N 2.9Å; K516-E657 WeakPolarHBondContact CD-OE2 3.39Å; K516-E657 VanDerWaalsContact CE-OE2 3.26Å; K516-E657 WeakPolarHBondContact CE-OE2 3.43Å; K516-E657 IonicContact NZ-OE1 2.89Å; K516-E657 PolarHBondContact NZ-OE1 3.45Å; K516-E657 IonicContact NZ-OE2 2.71Å; K516-E657 PolarHBondContact NZ-OE2 3.05Å; K516-K658 PolarHBondContact O-NZ 3.34Å
517	I	88.7	Confident	89.4	Confident	57 Å²	57	61.8 Å²	61.8	29%	0.292	33%	0.325	S	S	.	.			trans	-118.1	127.7	171.3	-55.8	176.2	0	0	0	106.5	F513 P514 C632 V633	F513-I517 HydrophobicContact CB-CD1 4.25Å; P514-I517 HydrophobicContact CG-CG1 4.41Å; I517-C632 HydrophobicContact CG2-CB 3.7Å; I517-V633 HydrophobicContact CD1-CG2 3.87Å; I517-V633 HydrophobicContact CG1-CG2 3.94Å; I517-V633 HydrophobicContact CG2-CG2 4.48Å
518	I	89.4	Confident	89.7	Confident	59 Å²	59	60.7 Å²	60.7	30%	0.303	31%	0.312	S	S	.	.			trans	-99.9	-45	-170.7	-55.1	172	0	0	0	110.8	R560 D636 E657	I518-R560 HydrophobicContact CG2-CG 4.25Å; I518-D636 PolarHBondContact N-OD2 3.23Å; I518-E657 HydrophobicContact CD1-CG 4.43Å; I518-E657 WeakPolarHBondContact CD1-OE2 3.49Å
519	S	91.6	Very high	89.9	Confident	7 Å²	7	57.2 Å²	57.2	5%	0.049	30%	0.296	C	S	.	.			trans	-61.6	143.1	172.2	56.1	0	0	0	0	111.4	E559 C632 D636	S519-E559 WeakPolarHBondContact CA-O 3.38Å; S519-C632 WeakPolarHBondContact OG-CA 3.46Å; S519-C632 VanDerWaalsContact OG-CB 3.24Å; S519-C632 WeakPolarHBondContact OG-CB 3.38Å; S519-C632 PolarHBondContact OG-O 2.87Å; S519-D636 WeakPolarHBondContact CB-OD1 2.88Å; S519-D636 PolarHBondContact N-OD1 3.07Å; S519-D636 PolarHBondContact OG-OD1 3.49Å
520	R	92.6	Very high	90.1	Very high	171 Å²	171	64.2 Å²	64.2	65%	0.645	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.3	-177.3	65.4	-177.1	179.2	-152.2	-1.3	111	A522 I558 E559	R520-A522 PolarHBondContact O-N 3.08Å; R520-I558 WeakPolarHBondContact O-CA 3.06Å; R520-E559 PolarHBondContact N-O 2.84Å; R520-E559 VanDerWaalsContact N-O 3.07Å; R520-E559 PolarHBondContact O-N 3.26Å
521	L	94.7	Very high	90.4	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	118.9	166.7	-175.3	68.5	0	0	0	108	L498 N501 I503 R523 W524 I558	L498-L521 HydrophobicContact CB-CD2 4.1Å; L498-L521 HydrophobicContact CD2-CD2 3.56Å; L498-L521 HydrophobicContact CG-CD2 4.4Å; N501-L521 VanDerWaalsContact CB-O 3.29Å; N501-L521 WeakPolarHBondContact CB-O 3.46Å; I503-L521 HydrophobicContact CD1-CB 4.2Å; I503-L521 HydrophobicContact CG1-CB 4.16Å; I503-L521 HydrophobicContact CG1-CD2 4.36Å; L521-R523 WeakPolarHBondContact CD1-O 3.31Å; L521-W524 HydrophobicContact CD2-CB 4.29Å; L521-I558 HydrophobicContact CD1-CG1 3.97Å
522	A	92.9	Very high	90.6	Very high	25 Å²	25	58.8 Å²	58.8	21%	0.207	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-32.1	179.4	0	0	0	0	0	112.1	N501 R520 V557 E559	N501-A522 PolarHBondContact ND2-O 3.26Å; N501-A522 VanDerWaalsContact ND2-O 3.11Å; N501-A522 VanDerWaalsContact OD1-C 3.25Å; N501-A522 PolarHBondContact OD1-O 3.19Å; R520-A522 PolarHBondContact O-N 3.08Å; A522-V557 PolarHBondContact N-O 2.84Å; A522-E559 HydrophobicContact CB-CB 4.17Å; A522-E559 HydrophobicContact CB-CG 3.6Å; A522-E559 WeakPolarHBondContact CB-OE2 3.27Å
523	R	92.9	Very high	90.7	Very high	132 Å²	132	60.8 Å²	60.8	50%	0.498	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	141.3	-179.1	-173.4	168.9	64.2	-171.4	0.1	111.5	L521 T525 G556 V557	L521-R523 WeakPolarHBondContact CD1-O 3.31Å; R523-T525 HydrophobicContact CG-CG2 3.85Å; R523-G556 CarbonylContact O-C 3.22Å; R523-G556 WeakPolarHBondContact O-CA 3.46Å; R523-V557 HydrophobicContact CB-CB 4.12Å; R523-V557 HydrophobicContact CB-CG2 4.24Å; R523-V557 PolarHBondContact N-O 2.94Å; R523-V557 PolarHBondContact O-N 3.43Å
524	W	93.6	Very high	90.9	Very high	10 Å²	10	67.5 Å²	67.5	4%	0.038	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119.5	168.9	179.5	-99	0	0	0	109	F495 L498 L521 F554 V569 I628	F495-W524 HydrophobicContact CD1-CZ2 4.31Å; F495-W524 AromaticContact CD1-NE1 3.79Å; F495-W524 AromaticContact CE1-CZ2 3.71Å; F495-W524 HydrophobicContact CE1-CZ2 3.71Å; F495-W524 AromaticContact CE1-NE1 3.99Å; F495-W524 HydrophobicContact CZ-CZ2 4.24Å; L498-W524 HydrophobicContact CB-CB 4.2Å; L498-W524 HydrophobicContact CB-CD2 4.49Å; L498-W524 HydrophobicContact CB-CG 3.99Å; L498-W524 HydrophobicContact CD1-CD2 4.3Å; L521-W524 HydrophobicContact CD2-CB 4.29Å; W524-F554 AromaticContact CE2-CD1 3.93Å; W524-F554 HydrophobicContact CH2-CB 3.47Å; W524-F554 VanDerWaalsContact CH2-CB 3.47Å; W524-F554 HydrophobicContact CH2-CD2 4.36Å; W524-F554 AromaticContact CH2-CG 3.93Å; W524-F554 HydrophobicContact CH2-CG 3.93Å; W524-F554 HydrophobicContact CZ2-CB 3.41Å; W524-F554 VanDerWaalsContact CZ2-CB 3.41Å; W524-F554 AromaticContact CZ2-CD1 3.72Å; W524-F554 HydrophobicContact CZ2-CD1 3.72Å; W524-F554 AromaticContact CZ2-CD2 3.93Å; W524-F554 HydrophobicContact CZ2-CD2 3.93Å; W524-F554 AromaticContact CZ2-CG 3.39Å; W524-F554 HydrophobicContact CZ2-CG 3.39Å; W524-F554 HydrophobicContact CZ3-CB 4.14Å; W524-F554 AromaticContact NE1-CD1 3.9Å; W524-V569 HydrophobicContact CH2-CB 4.3Å; W524-V569 HydrophobicContact CH2-CG2 4.12Å; W524-V569 HydrophobicContact CZ3-CG2 4.08Å; W524-I628 HydrophobicContact CE3-CD1 4.4Å; W524-I628 HydrophobicContact CH2-CD1 4.41Å; W524-I628 HydrophobicContact CZ3-CD1 3.99Å
525	T	91.3	Very high	90.9	Very high	51 Å²	51	68.5 Å²	68.5	31%	0.313	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.8	-178	50.1	0	0	0	0	111.2	R523 F554 M555	R523-T525 HydrophobicContact CG-CG2 3.85Å; T525-F554 CarbonylContact O-C 3.56Å; T525-F554 WeakPolarHBondContact O-CA 3.31Å; T525-M555 PolarHBondContact N-O 3.46Å; T525-M555 PolarHBondContact O-N 3.05Å
526	T	90.9	Very high	91.1	Very high	61 Å²	61	66.6 Å²	66.6	37%	0.374	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	142.7	165.6	-168.2	0	0	0	0	110.1
527	I	91.6	Very high	91.2	Very high	27 Å²	27	61.5 Å²	61.5	14%	0.138	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160.5	175.1	59.9	173.4	0	0	0	109.2	E531 Y532 Y553 M555	I527-E531 WeakPolarHBondContact CA-OE2 3.44Å; I527-E531 HydrophobicContact CB-CB 4.36Å; I527-E531 WeakPolarHBondContact CB-OE2 3.44Å; I527-Y532 HydrophobicContact CD1-CD2 4.14Å; I527-Y553 PolarHBondContact N-O 3.43Å; I527-M555 HydrophobicContact CD1-CB 4.41Å; I527-M555 HydrophobicContact CD1-CE 4.14Å; I527-M555 HydrophobicContact CG2-CB 3.81Å
528	S	90.7	Very high	91.3	Very high	51 Å²	51	58.8 Å²	58.8	36%	0.357	29%	0.291	S	S	.	.			trans	-81.2	163	174.3	73.2	0	0	0	0	111.8	Q530 E531 Y532	S528-Q530 VanDerWaalsContact C-N 3.26Å; S528-Q530 PolarHBondContact O-N 3.41Å; S528-E531 PolarHBondContact N-OE2 2.81Å; S528-E531 PolarHBondContact O-N 2.98Å; S528-E531 VanDerWaalsContact OG-CG 3.31Å; S528-E531 WeakPolarHBondContact OG-CG 3.26Å; S528-E531 PolarHBondContact OG-N 3.3Å; S528-Y532 PolarHBondContact O-N 3.36Å
529	Q	88.8	Confident	91.2	Very high	51 Å²	51	59.6 Å²	59.6	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-38.3	172.7	-176	-174.4	18.3	0	0	111.9	Y532 L533 Y553	Q529-Y532 WeakPolarHBondContact O-CB 3.47Å; Q529-Y532 PolarHBondContact O-N 3.17Å; Q529-L533 HydrophobicContact CG-CD1 4.09Å; Q529-L533 HydrophobicContact CG-CG 4.41Å; Q529-L533 VanDerWaalsContact O-CG 3.31Å; Q529-L533 WeakPolarHBondContact O-CG 3.42Å; Q529-L533 PolarHBondContact O-N 3.31Å; Q529-Y553 HydrophobicContact CB-CD2 4.03Å; Q529-Y553 HydrophobicContact CB-CE2 3.65Å; Q529-Y553 HydrophobicContact CG-CE2 3.79Å
530	Q	90.1	Very high	91	Very high	148 Å²	148	62.4 Å²	62.4	69%	0.692	31%	0.305	S	S	*	.	H	α-helix	trans	-62.5	-48.2	179.6	-68.5	178.6	-6.3	0	0	110.5	S528 Y532 L533 E534	S528-Q530 VanDerWaalsContact C-N 3.26Å; S528-Q530 PolarHBondContact O-N 3.41Å; Q530-Y532 VanDerWaalsContact C-N 3.27Å; Q530-Y532 PolarHBondContact O-N 2.84Å; Q530-L533 PolarHBondContact O-N 3.27Å; Q530-L533 VanDerWaalsContact O-N 3.12Å; Q530-E534 WeakPolarHBondContact O-CG 3.07Å; Q530-E534 PolarHBondContact O-N 3.26Å; Q530-E534 VanDerWaalsContact O-N 3.09Å
531	E	91.5	Very high	90.7	Very high	97 Å²	97	54.7 Å²	54.7	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-38.1	174.7	-70.2	166.9	171.8	0	0	111.9	I527 S528 E534 L535	I527-E531 WeakPolarHBondContact CA-OE2 3.44Å; I527-E531 HydrophobicContact CB-CB 4.36Å; I527-E531 WeakPolarHBondContact CB-OE2 3.44Å; S528-E531 PolarHBondContact N-OE2 2.81Å; S528-E531 PolarHBondContact O-N 2.98Å; S528-E531 VanDerWaalsContact OG-CG 3.31Å; S528-E531 WeakPolarHBondContact OG-CG 3.26Å; S528-E531 PolarHBondContact OG-N 3.3Å; E531-E534 PolarHBondContact O-N 3.41Å; E531-L535 WeakPolarHBondContact O-CG 3.49Å
532	Y	92.4	Very high	90.4	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-37.9	176.5	-178.2	-91.6	0	0	0	112.7	I527 S528 Q529 Q530 L535 T538 A547 Y553 A568 V570 S583	I527-Y532 HydrophobicContact CD1-CD2 4.14Å; S528-Y532 PolarHBondContact O-N 3.36Å; Q529-Y532 WeakPolarHBondContact O-CB 3.47Å; Q529-Y532 PolarHBondContact O-N 3.17Å; Q530-Y532 VanDerWaalsContact C-N 3.27Å; Q530-Y532 PolarHBondContact O-N 2.84Å; Y532-L535 PolarHBondContact O-N 2.79Å; Y532-T538 HydrophobicContact CD1-CG2 4.49Å; Y532-T538 HydrophobicContact CD2-CG2 4.07Å; Y532-T538 HydrophobicContact CE1-CG2 4.05Å; Y532-T538 HydrophobicContact CE2-CG2 3.59Å; Y532-T538 HydrophobicContact CG-CG2 4.5Å; Y532-T538 PolarHBondContact O-OG1 2.93Å; Y532-A547 HydrophobicContact CD1-CB 4.37Å; Y532-A547 HydrophobicContact CE1-CB 3.91Å; Y532-Y553 AromaticContact CD1-CD1 3.77Å; Y532-Y553 HydrophobicContact CD1-CD1 3.77Å; Y532-Y553 AromaticContact CD1-CE1 3.58Å; Y532-Y553 HydrophobicContact CD1-CE1 3.58Å; Y532-Y553 AromaticContact CD2-CD1 3.62Å; Y532-Y553 HydrophobicContact CD2-CD1 3.62Å; Y532-Y553 HydrophobicContact CD2-CE1 4.25Å; Y532-Y553 HydrophobicContact CE1-CD1 4.36Å; Y532-Y553 HydrophobicContact CE1-CE1 4.04Å; Y532-Y553 HydrophobicContact CE2-CD1 4.22Å; Y532-Y553 AromaticContact CG-CD1 3.37Å; Y532-Y553 HydrophobicContact CG-CD1 3.37Å; Y532-Y553 AromaticContact CG-CE1 3.71Å; Y532-Y553 HydrophobicContact CG-CE1 3.71Å; Y532-Y553 HydrophobicContact CG-CG 4.35Å; Y532-A568 HydrophobicContact CD2-CB 3.92Å; Y532-A568 HydrophobicContact CE2-CB 3.6Å; Y532-V570 HydrophobicContact CD2-CG2 4.36Å; Y532-V570 HydrophobicContact CE1-CG2 3.81Å; Y532-V570 HydrophobicContact CE2-CG2 3.56Å; Y532-V570 VanDerWaalsContact OH-CG2 3.26Å; Y532-V570 WeakPolarHBondContact OH-CG2 3.41Å; Y532-S583 PolarHBondContact OH-OG 2.86Å
533	L	90.9	Very high	90.2	Very high	65 Å²	65	61.9 Å²	61.9	34%	0.34	31%	0.312	S	S	.	.	H	α-helix	trans	-76.3	-23.7	-179.2	-69	173.6	0	0	0	113.4	Q529 Q530 L535 H539 A542	Q529-L533 HydrophobicContact CG-CD1 4.09Å; Q529-L533 HydrophobicContact CG-CG 4.41Å; Q529-L533 VanDerWaalsContact O-CG 3.31Å; Q529-L533 WeakPolarHBondContact O-CG 3.42Å; Q529-L533 PolarHBondContact O-N 3.31Å; Q530-L533 PolarHBondContact O-N 3.27Å; Q530-L533 VanDerWaalsContact O-N 3.12Å; L533-L535 PolarHBondContact O-N 2.87Å; L533-H539 PolarHBondContact O-CE1 3.15Å; L533-H539 VanDerWaalsContact O-CE1 3.28Å; L533-A542 HydrophobicContact CD2-CB 3.52Å
534	E	92.6	Very high	89.9	Confident	150 Å²	150	58.7 Å²	58.7	70%	0.701	31%	0.314	S	S	*	.	H	α-helix	trans	-71.7	-16.9	174.6	-73.6	176.8	180	0	0	112.9	Q530 E531	Q530-E534 WeakPolarHBondContact O-CG 3.07Å; Q530-E534 PolarHBondContact O-N 3.26Å; Q530-E534 VanDerWaalsContact O-N 3.09Å; E531-E534 PolarHBondContact O-N 3.41Å
535	L	90.9	Very high	89.5	Confident	38 Å²	38	60.2 Å²	60.2	20%	0.199	33%	0.332	C	S	.	.			trans	-76.4	124.9	-178.9	-62.2	167.1	0	0	0	111.3	E531 Y532 L533 Y537 T538 M555 A568	E531-L535 WeakPolarHBondContact O-CG 3.49Å; Y532-L535 PolarHBondContact O-N 2.79Å; L533-L535 PolarHBondContact O-N 2.87Å; L535-Y537 HydrophobicContact CB-CD1 4.35Å; L535-Y537 HydrophobicContact CB-CE1 4.01Å; L535-Y537 HydrophobicContact CD1-CE2 4.5Å; L535-Y537 HydrophobicContact CD2-CE1 4Å; L535-Y537 HydrophobicContact CG-CE1 4.41Å; L535-Y537 PolarHBondContact O-N 3.35Å; L535-Y537 VanDerWaalsContact O-N 3.16Å; L535-T538 HydrophobicContact CB-CG2 3.8Å; L535-T538 HydrophobicContact CD1-CG2 4.04Å; L535-T538 PolarHBondContact O-N 2.96Å; L535-T538 VanDerWaalsContact O-N 3.16Å; L535-T538 PolarHBondContact O-OG1 2.9Å; L535-M555 HydrophobicContact CD1-CE 3.48Å; L535-M555 VanDerWaalsContact CD1-CE 3.48Å; L535-A568 HydrophobicContact CD1-CB 4.01Å
536	P	88.2	Confident	89.2	Confident	78 Å²	78	62 Å²	62	51%	0.506	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.2	-173.8	24.3	-33.5	0	0	0	113.4	H539	P536-H539 PolarHBondContact O-CD2 2.66Å
537	Y	88.4	Confident	89	Confident	11 Å²	11	59.8 Å²	59.8	4%	0.043	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.4	-178.4	58.4	-90	0	0	0	113.8	L535 H540 M555 A568 S583	L535-Y537 HydrophobicContact CB-CD1 4.35Å; L535-Y537 HydrophobicContact CB-CE1 4.01Å; L535-Y537 HydrophobicContact CD1-CE2 4.5Å; L535-Y537 HydrophobicContact CD2-CE1 4Å; L535-Y537 HydrophobicContact CG-CE1 4.41Å; L535-Y537 PolarHBondContact O-N 3.35Å; L535-Y537 VanDerWaalsContact O-N 3.16Å; Y537-H540 PolarHBondContact O-CE1 3.42Å; Y537-H540 PolarHBondContact O-ND1 3.43Å; Y537-M555 WeakPolarHBondContact OH-CE 3.25Å; Y537-A568 HydrophobicContact CE2-CB 3.82Å; Y537-S583 WeakPolarHBondContact CE2-O 3.38Å
538	T	91.1	Very high	88.7	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-13.1	179.3	63.1	0	0	0	0	113.6	Y532 L535 H540 V541 A542 A568	Y532-T538 HydrophobicContact CD1-CG2 4.49Å; Y532-T538 HydrophobicContact CD2-CG2 4.07Å; Y532-T538 HydrophobicContact CE1-CG2 4.05Å; Y532-T538 HydrophobicContact CE2-CG2 3.59Å; Y532-T538 HydrophobicContact CG-CG2 4.5Å; Y532-T538 PolarHBondContact O-OG1 2.93Å; L535-T538 HydrophobicContact CB-CG2 3.8Å; L535-T538 HydrophobicContact CD1-CG2 4.04Å; L535-T538 PolarHBondContact O-N 2.96Å; L535-T538 VanDerWaalsContact O-N 3.16Å; L535-T538 PolarHBondContact O-OG1 2.9Å; T538-H540 PolarHBondContact O-N 2.91Å; T538-H540 VanDerWaalsContact O-N 3.08Å; T538-V541 WeakPolarHBondContact O-CB 3.34Å; T538-V541 PolarHBondContact O-N 2.91Å; T538-A542 PolarHBondContact O-N 2.99Å; T538-A568 HydrophobicContact CG2-CB 3.83Å
539	H	87.9	Confident	88.2	Confident	76 Å²	76	69.1 Å²	69.1	35%	0.352	36%	0.359	S	S	.	.	H	α-helix	trans	-52.1	-37.5	-176	-75.1	-58.4	0	0	0	114.5	L533 P536 V541 A542 E543	L533-H539 PolarHBondContact O-CE1 3.15Å; L533-H539 VanDerWaalsContact O-CE1 3.28Å; P536-H539 PolarHBondContact O-CD2 2.66Å; H539-V541 VanDerWaalsContact C-N 3.26Å; H539-V541 PolarHBondContact O-N 3.18Å; H539-A542 PolarHBondContact O-N 2.86Å; H539-E543 WeakPolarHBondContact O-CB 3.26Å; H539-E543 VanDerWaalsContact O-CG 3.28Å; H539-E543 WeakPolarHBondContact O-CG 3.49Å; H539-E543 PolarHBondContact O-N 3.09Å
540	H	86.8	Confident	87.9	Confident	65 Å²	65	68.2 Å²	68.2	30%	0.301	36%	0.357	S	S	.	.	H	α-helix	trans	-63.9	-30.7	178.8	66.1	-82.1	0	0	0	113.3	Y537 T538 A544	Y537-H540 PolarHBondContact O-CE1 3.42Å; Y537-H540 PolarHBondContact O-ND1 3.43Å; T538-H540 PolarHBondContact O-N 2.91Å; T538-H540 VanDerWaalsContact O-N 3.08Å; H540-A544 WeakPolarHBondContact O-CB 3.41Å; H540-A544 PolarHBondContact O-N 3.25Å
541	V	87.6	Confident	87.8	Confident	10 Å²	10	61.7 Å²	61.7	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-75.8	-39.5	176.7	-176.1	0	0	0	0	110.2	T538 H539 A544 G545 L546 A547 L581 S583	T538-V541 WeakPolarHBondContact O-CB 3.34Å; T538-V541 PolarHBondContact O-N 2.91Å; H539-V541 VanDerWaalsContact C-N 3.26Å; H539-V541 PolarHBondContact O-N 3.18Å; V541-A544 PolarHBondContact O-N 3.19Å; V541-G545 PolarHBondContact O-N 2.9Å; V541-L546 HydrophobicContact CG1-CB 3.77Å; V541-L546 PolarHBondContact O-N 2.92Å; V541-L546 VanDerWaalsContact O-N 3.15Å; V541-A547 HydrophobicContact CG1-CB 4.46Å; V541-L581 HydrophobicContact CG1-CD1 4.32Å; V541-S583 WeakPolarHBondContact CG2-OG 3.43Å
542	A	87.3	Confident	87.7	Confident	29 Å²	29	57.7 Å²	57.7	24%	0.24	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-47.5	176	0	0	0	0	0	112	L533 T538 H539 A544 G545	L533-A542 HydrophobicContact CD2-CB 3.52Å; T538-A542 PolarHBondContact O-N 2.99Å; H539-A542 PolarHBondContact O-N 2.86Å; A542-A544 PolarHBondContact O-N 2.95Å; A542-G545 PolarHBondContact O-N 2.79Å
543	E	88.2	Confident	87.7	Confident	150 Å²	150	58.1 Å²	58.1	70%	0.701	31%	0.31	S	S	*	.	H	α-helix	trans	-59.7	-32.4	175.8	-73.6	168.4	175.7	0	0	112.3	H539 G545 R595	H539-E543 WeakPolarHBondContact O-CB 3.26Å; H539-E543 VanDerWaalsContact O-CG 3.28Å; H539-E543 WeakPolarHBondContact O-CG 3.49Å; H539-E543 PolarHBondContact O-N 3.09Å; E543-G545 PolarHBondContact O-N 3.12Å; E543-R595 IonicContact OE2-NH2 2.72Å
544	A	87.2	Confident	87.8	Confident	65 Å²	65	55.1 Å²	55.1	54%	0.537	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.8	175.5	0	0	0	0	0	113.9	H540 V541 A542 L546	H540-A544 WeakPolarHBondContact O-CB 3.41Å; H540-A544 PolarHBondContact O-N 3.25Å; V541-A544 PolarHBondContact O-N 3.19Å; A542-A544 PolarHBondContact O-N 2.95Å; A544-L546 VanDerWaalsContact C-N 3.26Å; A544-L546 HydrophobicContact CB-CD1 4.06Å; A544-L546 HydrophobicContact CB-CG 4.04Å; A544-L546 PolarHBondContact O-N 2.79Å
545	G	84.9	Confident	87.9	Confident	41 Å²	41	49 Å²	49	42%	0.423	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	21.8	-178.5	0	0	0	0	0	114.1	V541 A542 E543	V541-G545 PolarHBondContact O-N 2.9Å; A542-G545 PolarHBondContact O-N 2.79Å; E543-G545 PolarHBondContact O-N 3.12Å
546	L	85.1	Confident	88.1	Confident	90 Å²	90	47.2 Å²	47.2	47%	0.471	26%	0.257	S	S	.	.			trans	-94.4	-10.5	-178.3	-63.6	176.5	0	0	0	113.4	V541 A544 L581	V541-L546 HydrophobicContact CG1-CB 3.77Å; V541-L546 PolarHBondContact O-N 2.92Å; V541-L546 VanDerWaalsContact O-N 3.15Å; A544-L546 VanDerWaalsContact C-N 3.26Å; A544-L546 HydrophobicContact CB-CD1 4.06Å; A544-L546 HydrophobicContact CB-CG 4.04Å; A544-L546 PolarHBondContact O-N 2.79Å; L546-L581 HydrophobicContact CB-CD1 3.89Å; L546-L581 HydrophobicContact CD1-CD1 3.97Å; L546-L581 HydrophobicContact CG-CD1 4.42Å
547	A	86.7	Confident	88.4	Confident	14 Å²	14	43.8 Å²	43.8	12%	0.116	24%	0.235	C	C	.	.	S	Bend	trans	-107	95.7	172.9	0	0	0	0	0	109.4	Y532 V541 Y553	Y532-A547 HydrophobicContact CD1-CB 4.37Å; Y532-A547 HydrophobicContact CE1-CB 3.91Å; V541-A547 HydrophobicContact CG1-CB 4.46Å; A547-Y553 HydrophobicContact CB-CE1 4.06Å
548	R	84.9	Confident	88.8	Confident	129 Å²	129	43.3 Å²	43.3	49%	0.487	23%	0.233	S	C	.	.			trans	-98.4	158.2	-177.6	-55.6	176.3	-179.2	-169.7	-2.6	111.2	T550 D551 Y553	R548-T550 PolarHBondContact O-N 2.78Å; R548-T550 VanDerWaalsContact O-N 3.12Å; R548-D551 VanDerWaalsContact CB-OD2 3.31Å; R548-D551 WeakPolarHBondContact CB-OD2 3.36Å; R548-D551 PolarHBondContact N-OD2 2.86Å; R548-D551 PolarHBondContact O-N 3.45Å; R548-Y553 PolarHBondContact N-OH 2.8Å; R548-Y553 PolarHBondContact O-OH 3.27Å
549	E	81.8	Confident	88.9	Confident	144 Å²	144	46.5 Å²	46.5	67%	0.673	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.5	176.3	-55	-171.6	163.7	0	0	113.1	D551	E549-D551 VanDerWaalsContact C-N 3.34Å
550	T	81.1	Confident	89.1	Confident	32 Å²	32	43.6 Å²	43.6	20%	0.196	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.9	179.7	55.5	0	0	0	0	114.1	Q412 R548 P573	Q412-T550 HydrophobicContact CG-CG2 3.86Å; R548-T550 PolarHBondContact O-N 2.78Å; R548-T550 VanDerWaalsContact O-N 3.12Å; T550-P573 WeakPolarHBondContact O-CG 3.47Å
551	D	88.1	Confident	89.1	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.064	25%	0.252	C	S	.	.	S	Bend	trans	-83.7	155.3	-177.6	-60.6	-38.8	0	0	0	111.1	R548 E549 Y553 V570 S572 P573	R548-D551 VanDerWaalsContact CB-OD2 3.31Å; R548-D551 WeakPolarHBondContact CB-OD2 3.36Å; R548-D551 PolarHBondContact N-OD2 2.86Å; R548-D551 PolarHBondContact O-N 3.45Å; E549-D551 VanDerWaalsContact C-N 3.34Å; D551-Y553 HydrophobicContact CB-CE2 4.33Å; D551-Y553 WeakPolarHBondContact O-CD2 3.3Å; D551-Y553 WeakPolarHBondContact O-CE2 3.38Å; D551-V570 HydrophobicContact CB-CG1 3.7Å; D551-S572 WeakPolarHBondContact OD1-CA 3.4Å; D551-S572 PolarHBondContact OD1-OG 3.11Å; D551-P573 VanDerWaalsContact OD1-CD 3.29Å; D551-P573 WeakPolarHBondContact OD1-CD 3.45Å
552	L	89.4	Confident	89.2	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.063	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.2	177.3	-59.7	170.6	0	0	0	109.3	E396 L397 F554 L571	E396-L552 HydrophobicContact CB-CD2 4.15Å; E396-L552 WeakPolarHBondContact OE2-CD2 3.19Å; L397-L552 HydrophobicContact CD2-CD1 3.45Å; L397-L552 VanDerWaalsContact CD2-CD1 3.45Å; L552-F554 HydrophobicContact CB-CE2 3.61Å; L552-F554 HydrophobicContact CB-CZ 4.01Å; L552-L571 HydrophobicContact CB-CB 4.27Å; L552-L571 HydrophobicContact CD1-CD2 4.35Å; L552-L571 PolarHBondContact N-O 3.45Å; L552-L571 PolarHBondContact O-N 3.14Å
553	Y	92.3	Very high	89.3	Confident	9 Å²	9	46.1 Å²	46.1	4%	0.035	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132	-174.8	-60.2	-89.8	0	0	0	111.1	I527 Q529 Y532 A547 R548 D551 V569 V570	I527-Y553 PolarHBondContact N-O 3.43Å; Q529-Y553 HydrophobicContact CB-CD2 4.03Å; Q529-Y553 HydrophobicContact CB-CE2 3.65Å; Q529-Y553 HydrophobicContact CG-CE2 3.79Å; Y532-Y553 AromaticContact CD1-CD1 3.77Å; Y532-Y553 HydrophobicContact CD1-CD1 3.77Å; Y532-Y553 AromaticContact CD1-CE1 3.58Å; Y532-Y553 HydrophobicContact CD1-CE1 3.58Å; Y532-Y553 AromaticContact CD2-CD1 3.62Å; Y532-Y553 HydrophobicContact CD2-CD1 3.62Å; Y532-Y553 HydrophobicContact CD2-CE1 4.25Å; Y532-Y553 HydrophobicContact CE1-CD1 4.36Å; Y532-Y553 HydrophobicContact CE1-CE1 4.04Å; Y532-Y553 HydrophobicContact CE2-CD1 4.22Å; Y532-Y553 AromaticContact CG-CD1 3.37Å; Y532-Y553 HydrophobicContact CG-CD1 3.37Å; Y532-Y553 AromaticContact CG-CE1 3.71Å; Y532-Y553 HydrophobicContact CG-CE1 3.71Å; Y532-Y553 HydrophobicContact CG-CG 4.35Å; A547-Y553 HydrophobicContact CB-CE1 4.06Å; R548-Y553 PolarHBondContact N-OH 2.8Å; R548-Y553 PolarHBondContact O-OH 3.27Å; D551-Y553 HydrophobicContact CB-CE2 4.33Å; D551-Y553 WeakPolarHBondContact O-CD2 3.3Å; D551-Y553 WeakPolarHBondContact O-CE2 3.38Å; Y553-V569 WeakPolarHBondContact CA-O 3.31Å; Y553-V570 HydrophobicContact CD1-CG2 3.93Å; Y553-V570 HydrophobicContact CE1-CB 4.5Å; Y553-V570 HydrophobicContact CE1-CG1 4.1Å; Y553-V570 HydrophobicContact CE1-CG2 3.8Å
554	F	93.9	Very high	89.6	Confident	3 Å²	3	40.5 Å²	40.5	1%	0.013	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.1	179.6	-57.3	-83.5	0	0	0	111.5	F495 W524 T525 L552 V569 L571	F495-F554 HydrophobicContact CD2-CE1 4.46Å; F495-F554 HydrophobicContact CD2-CZ 4.46Å; F495-F554 AromaticContact CE2-CE1 3.71Å; F495-F554 HydrophobicContact CE2-CE1 3.71Å; F495-F554 HydrophobicContact CE2-CE2 4.09Å; F495-F554 AromaticContact CE2-CZ 3.37Å; F495-F554 HydrophobicContact CE2-CZ 3.37Å; F495-F554 HydrophobicContact CZ-CD2 4.35Å; F495-F554 AromaticContact CZ-CE1 3.89Å; F495-F554 HydrophobicContact CZ-CE1 3.89Å; F495-F554 AromaticContact CZ-CE2 3.68Å; F495-F554 HydrophobicContact CZ-CE2 3.68Å; F495-F554 AromaticContact CZ-CZ 3.43Å; F495-F554 HydrophobicContact CZ-CZ 3.43Å; F495-F554 VanDerWaalsContact CZ-CZ 3.43Å; W524-F554 AromaticContact CE2-CD1 3.93Å; W524-F554 HydrophobicContact CH2-CB 3.47Å; W524-F554 VanDerWaalsContact CH2-CB 3.47Å; W524-F554 HydrophobicContact CH2-CD2 4.36Å; W524-F554 AromaticContact CH2-CG 3.93Å; W524-F554 HydrophobicContact CH2-CG 3.93Å; W524-F554 HydrophobicContact CZ2-CB 3.41Å; W524-F554 VanDerWaalsContact CZ2-CB 3.41Å; W524-F554 AromaticContact CZ2-CD1 3.72Å; W524-F554 HydrophobicContact CZ2-CD1 3.72Å; W524-F554 AromaticContact CZ2-CD2 3.93Å; W524-F554 HydrophobicContact CZ2-CD2 3.93Å; W524-F554 AromaticContact CZ2-CG 3.39Å; W524-F554 HydrophobicContact CZ2-CG 3.39Å; W524-F554 HydrophobicContact CZ3-CB 4.14Å; W524-F554 AromaticContact NE1-CD1 3.9Å; T525-F554 CarbonylContact O-C 3.56Å; T525-F554 WeakPolarHBondContact O-CA 3.31Å; L552-F554 HydrophobicContact CB-CE2 3.61Å; L552-F554 HydrophobicContact CB-CZ 4.01Å; F554-V569 HydrophobicContact CB-CB 4.3Å; F554-V569 PolarHBondContact N-O 2.92Å; F554-V569 PolarHBondContact O-N 3.1Å; F554-L571 HydrophobicContact CD2-CB 4.39Å; F554-L571 HydrophobicContact CE2-CB 4.12Å; F554-L571 HydrophobicContact CE2-CD2 3.97Å
555	M	94	Very high	90	Very high	20 Å²	20	37.5 Å²	37.5	10%	0.099	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.4	172	-174.9	62.3	64.4	0	0	109.5	T525 I527 L535 Y537 H566 A568	T525-M555 PolarHBondContact N-O 3.46Å; T525-M555 PolarHBondContact O-N 3.05Å; I527-M555 HydrophobicContact CD1-CB 4.41Å; I527-M555 HydrophobicContact CD1-CE 4.14Å; I527-M555 HydrophobicContact CG2-CB 3.81Å; L535-M555 HydrophobicContact CD1-CE 3.48Å; L535-M555 VanDerWaalsContact CD1-CE 3.48Å; Y537-M555 WeakPolarHBondContact OH-CE 3.25Å; M555-H566 HydrophobicContact SD-CB 4.24Å; M555-A568 HydrophobicContact CE-CB 3.87Å; M555-A568 HydrophobicContact SD-CB 4.43Å
556	G	94.6	Very high	90.5	Very high	2 Å²	2	38 Å²	38	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.7	168.5	0	0	0	0	0	110.8	R523 A567	R523-G556 CarbonylContact O-C 3.22Å; R523-G556 WeakPolarHBondContact O-CA 3.46Å; G556-A567 PolarHBondContact N-O 3.34Å; G556-A567 PolarHBondContact O-N 3.15Å
557	V	95.2	Very high	91	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.03	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.9	171.2	-174.3	0	0	0	0	108.5	A522 R523 E559 L565	A522-V557 PolarHBondContact N-O 2.84Å; R523-V557 HydrophobicContact CB-CB 4.12Å; R523-V557 HydrophobicContact CB-CG2 4.24Å; R523-V557 PolarHBondContact N-O 2.94Å; R523-V557 PolarHBondContact O-N 3.43Å; V557-E559 HydrophobicContact CG1-CG 4.23Å; V557-L565 WeakPolarHBondContact CA-O 3.33Å
558	I	96.1	Very high	91.4	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.2	180	-64.4	166.7	0	0	0	108.5	R520 L521 L565 I628 L631 L635	R520-I558 WeakPolarHBondContact O-CA 3.06Å; L521-I558 HydrophobicContact CD1-CG1 3.97Å; I558-L565 HydrophobicContact CB-CB 4.45Å; I558-L565 PolarHBondContact N-O 2.93Å; I558-L565 PolarHBondContact O-N 3.27Å; I558-I628 HydrophobicContact CD1-CG2 4.26Å; I558-L631 HydrophobicContact CD1-CB 4.37Å; I558-L631 HydrophobicContact CD1-CD1 4.17Å; I558-L631 HydrophobicContact CD1-CD2 3.42Å; I558-L631 VanDerWaalsContact CD1-CD2 3.42Å; I558-L631 HydrophobicContact CD1-CG 4.2Å; I558-L635 HydrophobicContact CB-CD2 4.44Å; I558-L635 HydrophobicContact CG2-CD2 3.7Å
559	E	94.2	Very high	91.8	Very high	66 Å²	66	27 Å²	27	31%	0.308	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.8	-172.4	-65.9	-179.5	172.3	0	0	111.9	S519 R520 A522 V557 A563	S519-E559 WeakPolarHBondContact CA-O 3.38Å; R520-E559 PolarHBondContact N-O 2.84Å; R520-E559 VanDerWaalsContact N-O 3.07Å; R520-E559 PolarHBondContact O-N 3.26Å; A522-E559 HydrophobicContact CB-CB 4.17Å; A522-E559 HydrophobicContact CB-CG 3.6Å; A522-E559 WeakPolarHBondContact CB-OE2 3.27Å; V557-E559 HydrophobicContact CG1-CG 4.23Å; E559-A563 WeakPolarHBondContact CA-O 3.46Å
560	R	91.7	Very high	92.4	Very high	15 Å²	15	20.3 Å²	20.3	6%	0.057	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	115.1	164.6	-177.4	177.4	161.8	179.5	-4.4	108.8	I518 T562 A563 D636 L639 E640 F654	I518-R560 HydrophobicContact CG2-CG 4.25Å; R560-T562 PolarHBondContact O-N 2.89Å; R560-A563 PolarHBondContact N-O 3.04Å; R560-A563 WeakPolarHBondContact O-CB 3.48Å; R560-A563 PolarHBondContact O-N 3Å; R560-D636 WeakPolarHBondContact CD-OD1 3.39Å; R560-D636 IonicContact CZ-OD1 2.8Å; R560-D636 VanDerWaalsContact NH1-CA 3.26Å; R560-D636 IonicContact NH1-OD1 3.88Å; R560-D636 PolarHBondContact NH1-OD1 2.81Å; R560-L639 HydrophobicContact CB-CD1 4.06Å; R560-L639 HydrophobicContact CG-CD1 4.33Å; R560-E640 IonicContact CZ-OE1 3.38Å; R560-E640 IonicContact NH1-OE1 3.57Å; R560-E640 PolarHBondContact NH1-OE1 2.85Å; R560-E640 IonicContact NH2-OE1 3.03Å; R560-E640 PolarHBondContact NH2-OE1 3.45Å; R560-F654 HydrophobicContact CB-CE1 4.48Å; R560-F654 HydrophobicContact CG-CD1 4.09Å; R560-F654 HydrophobicContact CG-CE1 3.88Å; R560-F654 VanDerWaalsContact O-CE1 3.22Å; R560-F654 WeakPolarHBondContact O-CE1 3.34Å; R560-F654 WeakPolarHBondContact O-CZ 3.44Å
561	G	87.6	Confident	92.9	Very high	67 Å²	67	18.9 Å²	18.9	69%	0.691	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	-127	-177.4	0	0	0	0	0	111.2
562	T	88.3	Confident	93	Very high	90 Å²	90	19.2 Å²	19.2	55%	0.552	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.4	175.4	67.8	0	0	0	0	114.3	R560 W588 E653	R560-T562 PolarHBondContact O-N 2.89Å; T562-W588 PolarHBondContact OG1-NE1 2.91Å; T562-W588 VanDerWaalsContact OG1-NE1 3.1Å; T562-E653 VanDerWaalsContact CB-OE1 3.29Å; T562-E653 WeakPolarHBondContact CB-OE1 3.34Å; T562-E653 VanDerWaalsContact CG2-OE1 3.29Å; T562-E653 WeakPolarHBondContact CG2-OE1 3.38Å; T562-E653 PolarHBondContact N-OE1 3.32Å; T562-E653 PolarHBondContact OG1-OE1 2.89Å
563	A	90.4	Very high	92.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.6	-179.2	0	0	0	0	0	111.5	E559 R560 L586 W588 L639 F654	E559-A563 WeakPolarHBondContact CA-O 3.46Å; R560-A563 PolarHBondContact N-O 3.04Å; R560-A563 WeakPolarHBondContact O-CB 3.48Å; R560-A563 PolarHBondContact O-N 3Å; A563-L586 HydrophobicContact CB-CD1 4.46Å; A563-W588 HydrophobicContact CB-CB 3.98Å; A563-W588 HydrophobicContact CB-CD2 4.38Å; A563-W588 HydrophobicContact CB-CG 3.87Å; A563-L639 HydrophobicContact CB-CD1 3.75Å; A563-L639 HydrophobicContact CB-CD2 3.79Å; A563-L639 HydrophobicContact CB-CG 4.43Å; A563-F654 HydrophobicContact CB-CE2 4.48Å; A563-F654 HydrophobicContact CB-CZ 4.03Å
564	C	94	Very high	92.4	Very high	33 Å²	33	20.9 Å²	20.9	22%	0.223	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.1	179	-62.5	0	0	0	0	110.7	N587	C564-N587 PolarHBondContact N-O 3.42Å; C564-N587 PolarHBondContact O-N 2.92Å
565	L	95.3	Very high	92.1	Very high	2 Å²	2	21 Å²	21	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.3	178.7	-178.1	57.6	0	0	0	110.3	V557 I558 L584 L586 L600 L631 L635	V557-L565 WeakPolarHBondContact CA-O 3.33Å; I558-L565 HydrophobicContact CB-CB 4.45Å; I558-L565 PolarHBondContact N-O 2.93Å; I558-L565 PolarHBondContact O-N 3.27Å; L565-L584 HydrophobicContact CD1-CB 4.16Å; L565-L586 HydrophobicContact CB-CD1 3.96Å; L565-L586 HydrophobicContact CD1-CB 4Å; L565-L586 HydrophobicContact CD1-CD1 4.21Å; L565-L600 HydrophobicContact CD1-CD2 4.48Å; L565-L631 HydrophobicContact CD2-CD2 3.18Å; L565-L631 HydrophobicContact CD2-CG 4.37Å; L565-L631 HydrophobicContact CG-CD2 4.17Å; L565-L635 HydrophobicContact CB-CD1 4.37Å; L565-L635 HydrophobicContact CB-CD2 3.99Å; L565-L635 HydrophobicContact CD2-CB 4.2Å; L565-L635 HydrophobicContact CD2-CD1 4.1Å; L565-L635 HydrophobicContact CD2-CD2 4.2Å; L565-L635 HydrophobicContact CD2-CG 4.39Å
566	H	94.9	Very high	91.6	Very high	50 Å²	50	21.1 Å²	21.1	23%	0.231	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	127	172.1	-61.2	87.6	0	0	0	109.4	M555 L584 S585	M555-H566 HydrophobicContact SD-CB 4.24Å; H566-L584 WeakPolarHBondContact O-CA 3.49Å; H566-S585 PolarHBondContact N-O 3.38Å; H566-S585 PolarHBondContact O-N 2.9Å
567	A	95.6	Very high	91.1	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.017	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	102.8	179.3	0	0	0	0	0	109.2	G556 F582 L584 L631	G556-A567 PolarHBondContact N-O 3.34Å; G556-A567 PolarHBondContact O-N 3.15Å; A567-F582 HydrophobicContact CB-CD1 4.29Å; A567-L584 HydrophobicContact CB-CD2 3.7Å; A567-L631 HydrophobicContact CB-CD1 3.94Å
568	A	95.1	Very high	90.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.1	172.3	0	0	0	0	0	108.8	Y532 L535 Y537 T538 M555 F582 S583	Y532-A568 HydrophobicContact CD2-CB 3.92Å; Y532-A568 HydrophobicContact CE2-CB 3.6Å; L535-A568 HydrophobicContact CD1-CB 4.01Å; Y537-A568 HydrophobicContact CE2-CB 3.82Å; T538-A568 HydrophobicContact CG2-CB 3.83Å; M555-A568 HydrophobicContact CE-CB 3.87Å; M555-A568 HydrophobicContact SD-CB 4.43Å; A568-F582 WeakPolarHBondContact O-CA 3.28Å; A568-S583 PolarHBondContact N-O 3.08Å; A568-S583 PolarHBondContact O-N 3.2Å
569	V	95	Very high	90.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.6	-172	-173.5	0	0	0	0	110.4	W524 Y553 F554 P580 L581 F582 L624	W524-V569 HydrophobicContact CH2-CB 4.3Å; W524-V569 HydrophobicContact CH2-CG2 4.12Å; W524-V569 HydrophobicContact CZ3-CG2 4.08Å; Y553-V569 WeakPolarHBondContact CA-O 3.31Å; F554-V569 HydrophobicContact CB-CB 4.3Å; F554-V569 PolarHBondContact N-O 2.92Å; F554-V569 PolarHBondContact O-N 3.1Å; V569-P580 HydrophobicContact CG1-CB 3.87Å; V569-L581 CarbonylContact C-O 3.41Å; V569-L581 VanDerWaalsContact CA-O 3.29Å; V569-L581 WeakPolarHBondContact CA-O 3.27Å; V569-F582 HydrophobicContact CG1-CE1 4.48Å; V569-F582 HydrophobicContact CG1-CE2 4.2Å; V569-F582 HydrophobicContact CG1-CZ 4.17Å; V569-F582 HydrophobicContact CG2-CD1 3.64Å; V569-F582 HydrophobicContact CG2-CE1 3.5Å; V569-F582 VanDerWaalsContact CG2-CE1 3.5Å; V569-F582 HydrophobicContact CG2-CG 4.26Å; V569-F582 HydrophobicContact CG2-CZ 4.01Å; V569-L624 HydrophobicContact CG1-CD1 4.26Å
570	V	93.8	Very high	90.4	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.7	170	-174.6	0	0	0	0	108.6	Y532 D551 Y553 P580 L581	Y532-V570 HydrophobicContact CD2-CG2 4.36Å; Y532-V570 HydrophobicContact CE1-CG2 3.81Å; Y532-V570 HydrophobicContact CE2-CG2 3.56Å; Y532-V570 VanDerWaalsContact OH-CG2 3.26Å; Y532-V570 WeakPolarHBondContact OH-CG2 3.41Å; D551-V570 HydrophobicContact CB-CG1 3.7Å; Y553-V570 HydrophobicContact CD1-CG2 3.93Å; Y553-V570 HydrophobicContact CE1-CB 4.5Å; Y553-V570 HydrophobicContact CE1-CG1 4.1Å; Y553-V570 HydrophobicContact CE1-CG2 3.8Å; V570-P580 VanDerWaalsContact O-CA 3.28Å; V570-P580 WeakPolarHBondContact O-CA 3.32Å; V570-L581 HydrophobicContact CB-CB 4.45Å; V570-L581 PolarHBondContact N-O 3.23Å; V570-L581 PolarHBondContact O-N 2.91Å
571	L	91.6	Very high	90.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111	180	-177.7	72.4	0	0	0	110	L491 F495 L552 F554 Y575 P580	L491-L571 HydrophobicContact CD1-CD2 3.9Å; L491-L571 HydrophobicContact CD2-CD2 4.29Å; F495-L571 HydrophobicContact CZ-CD2 4.11Å; L552-L571 HydrophobicContact CB-CB 4.27Å; L552-L571 HydrophobicContact CD1-CD2 4.35Å; L552-L571 PolarHBondContact N-O 3.45Å; L552-L571 PolarHBondContact O-N 3.14Å; F554-L571 HydrophobicContact CD2-CB 4.39Å; F554-L571 HydrophobicContact CE2-CB 4.12Å; F554-L571 HydrophobicContact CE2-CD2 3.97Å; L571-Y575 HydrophobicContact CD1-CD2 3.67Å; L571-Y575 HydrophobicContact CD1-CE2 4.4Å; L571-Y575 HydrophobicContact CD1-CG 3.99Å; L571-P580 HydrophobicContact CD1-CB 3.93Å; L571-P580 HydrophobicContact CD1-CG 3.62Å
572	S	89.2	Confident	90.8	Very high	19 Å²	19	24.6 Å²	24.6	13%	0.133	13%	0.129	C	C	.	.			trans	-70.1	144.9	176.2	-171.6	0	0	0	0	111.6	D551 R574 Y575	D551-S572 WeakPolarHBondContact OD1-CA 3.4Å; D551-S572 PolarHBondContact OD1-OG 3.11Å; S572-R574 PolarHBondContact O-N 2.82Å; S572-Y575 PolarHBondContact O-N 2.89Å
573	P	85.4	Confident	91.1	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.019	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.4	173.6	-29.8	37.2	0	0	0	114.5	C406 R484 R488 T550 D551 Y575	C406-P573 HydrophobicContact CB-CB 4.29Å; R484-P573 PolarHBondContact NE-O 3.28Å; R484-P573 VanDerWaalsContact NE-O 3.08Å; R484-P573 PolarHBondContact NH2-O 3.38Å; R488-P573 VanDerWaalsContact NH2-CA 3.33Å; T550-P573 WeakPolarHBondContact O-CG 3.47Å; D551-P573 VanDerWaalsContact OD1-CD 3.29Å; D551-P573 WeakPolarHBondContact OD1-CD 3.45Å; P573-Y575 VanDerWaalsContact C-N 3.27Å; P573-Y575 PolarHBondContact O-N 3.33Å
574	R	84.1	Confident	91.3	Very high	54 Å²	54	20.3 Å²	20.3	20%	0.204	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	17.6	177.6	-61.9	-161	-69	155.9	-5.3	114.5	C406 S572 E577 I578	C406-R574 WeakPolarHBondContact O-CG 3.42Å; S572-R574 PolarHBondContact O-N 2.82Å; R574-E577 IonicContact NH1-OE1 2.79Å; R574-E577 WeakPolarHBondContact O-CA 3.5Å; R574-E577 VanDerWaalsContact O-CB 3.28Å; R574-E577 WeakPolarHBondContact O-CB 3.42Å; R574-E577 PolarHBondContact O-N 3.36Å; R574-I578 HydrophobicContact CB-CD1 4.09Å; R574-I578 HydrophobicContact CB-CG1 4.2Å; R574-I578 PolarHBondContact O-N 3.06Å
575	Y	87.4	Confident	91.4	Very high	6 Å²	6	18.8 Å²	18.8	2%	0.024	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	137.8	169	-177.5	-98.2	0	0	0	111.3	S487 L491 L571 S572 P573 P580 H621 L623 L624	S487-Y575 WeakPolarHBondContact CB-O 3.49Å; S487-Y575 PolarHBondContact OG-O 2.65Å; L491-Y575 HydrophobicContact CD1-CD1 3.47Å; L491-Y575 VanDerWaalsContact CD1-CD1 3.47Å; L491-Y575 HydrophobicContact CD1-CE1 4.02Å; L491-Y575 HydrophobicContact CD1-CG 4.03Å; L491-Y575 HydrophobicContact CD2-CD1 3.92Å; L491-Y575 HydrophobicContact CD2-CE1 3.62Å; L491-Y575 HydrophobicContact CG-CD1 3.68Å; L491-Y575 HydrophobicContact CG-CE1 3.67Å; L571-Y575 HydrophobicContact CD1-CD2 3.67Å; L571-Y575 HydrophobicContact CD1-CE2 4.4Å; L571-Y575 HydrophobicContact CD1-CG 3.99Å; S572-Y575 PolarHBondContact O-N 2.89Å; P573-Y575 VanDerWaalsContact C-N 3.27Å; P573-Y575 PolarHBondContact O-N 3.33Å; Y575-P580 HydrophobicContact CD2-CG 4.15Å; Y575-P580 HydrophobicContact CE2-CG 4.02Å; Y575-H621 VanDerWaalsContact OH-C 3.26Å; Y575-H621 PolarHBondContact OH-O 3.23Å; Y575-L623 HydrophobicContact CE2-CB 4.13Å; Y575-L623 PolarHBondContact OH-N 3.2Å; Y575-L624 HydrophobicContact CE2-CB 4.33Å; Y575-L624 PolarHBondContact OH-N 3.16Å; Y575-L624 VanDerWaalsContact OH-N 3.15Å
576	P	84.1	Confident	91.3	Very high	21 Å²	21	19 Å²	19	14%	0.136	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.7	8	3.2	37.8	-35.9	0	0	0	114.9	P619	P576-P619 VanDerWaalsContact CG-O 3.26Å; P576-P619 WeakPolarHBondContact CG-O 3.29Å
577	E	84.9	Confident	91.1	Very high	131 Å²	131	20.5 Å²	20.5	61%	0.612	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-47.2	179.4	-171.7	-167.6	165.1	0	0	111	R574	R574-E577 IonicContact NH1-OE1 2.79Å; R574-E577 WeakPolarHBondContact O-CA 3.5Å; R574-E577 VanDerWaalsContact O-CB 3.28Å; R574-E577 WeakPolarHBondContact O-CB 3.42Å; R574-E577 PolarHBondContact O-N 3.36Å
578	I	87.3	Confident	90.6	Very high	53 Å²	53	22.4 Å²	22.4	27%	0.272	11%	0.111	S	C	.	.	S	Bend	trans	-92.4	127	164.6	-59.4	175	0	0	0	108.5	R574	R574-I578 HydrophobicContact CB-CD1 4.09Å; R574-I578 HydrophobicContact CB-CG1 4.2Å; R574-I578 PolarHBondContact O-N 3.06Å
579	S	89.9	Confident	89.9	Confident	5 Å²	5	29 Å²	29	4%	0.035	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-74.1	145.8	175.2	53.7	0	0	0	0	112.4	K611	S579-K611 WeakPolarHBondContact OG-CD 3.31Å; S579-K611 PolarHBondContact OG-NZ 3.13Å
580	P	93.4	Very high	89.3	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-59.1	143.6	167.9	-6.3	16.8	0	0	0	111	V569 V570 L571 Y575 F582 L624 Q627	V569-P580 HydrophobicContact CG1-CB 3.87Å; V570-P580 VanDerWaalsContact O-CA 3.28Å; V570-P580 WeakPolarHBondContact O-CA 3.32Å; L571-P580 HydrophobicContact CD1-CB 3.93Å; L571-P580 HydrophobicContact CD1-CG 3.62Å; Y575-P580 HydrophobicContact CD2-CG 4.15Å; Y575-P580 HydrophobicContact CE2-CG 4.02Å; P580-F582 HydrophobicContact CB-CE2 3.99Å; P580-L624 HydrophobicContact CB-CD1 3.97Å; P580-L624 HydrophobicContact CG-CB 4.2Å; P580-L624 HydrophobicContact CG-CD1 3.72Å; P580-Q627 VanDerWaalsContact CD-OE1 3.27Å; P580-Q627 VanDerWaalsContact CG-OE1 3.27Å; P580-Q627 PolarHBondContact O-NE2 2.86Å
581	L	93.4	Very high	89	Confident	39 Å²	39	37.1 Å²	37.1	20%	0.204	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.2	177.1	-66.2	174.2	0	0	0	110	V541 L546 V569 V570 N608	V541-L581 HydrophobicContact CG1-CD1 4.32Å; L546-L581 HydrophobicContact CB-CD1 3.89Å; L546-L581 HydrophobicContact CD1-CD1 3.97Å; L546-L581 HydrophobicContact CG-CD1 4.42Å; V569-L581 CarbonylContact C-O 3.41Å; V569-L581 VanDerWaalsContact CA-O 3.29Å; V569-L581 WeakPolarHBondContact CA-O 3.27Å; V570-L581 HydrophobicContact CB-CB 4.45Å; V570-L581 PolarHBondContact N-O 3.23Å; V570-L581 PolarHBondContact O-N 2.91Å; L581-N608 HydrophobicContact CD2-CB 4.38Å
582	F	94.6	Very high	88.8	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.009	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.6	-178	-70.8	-109.5	0	0	0	110.6	A567 A568 V569 P580 L584 V607 N608 L624 Q627 I628 L631	A567-F582 HydrophobicContact CB-CD1 4.29Å; A568-F582 WeakPolarHBondContact O-CA 3.28Å; V569-F582 HydrophobicContact CG1-CE1 4.48Å; V569-F582 HydrophobicContact CG1-CE2 4.2Å; V569-F582 HydrophobicContact CG1-CZ 4.17Å; V569-F582 HydrophobicContact CG2-CD1 3.64Å; V569-F582 HydrophobicContact CG2-CE1 3.5Å; V569-F582 VanDerWaalsContact CG2-CE1 3.5Å; V569-F582 HydrophobicContact CG2-CG 4.26Å; V569-F582 HydrophobicContact CG2-CZ 4.01Å; P580-F582 HydrophobicContact CB-CE2 3.99Å; F582-L584 HydrophobicContact CB-CD2 4.41Å; F582-V607 HydrophobicContact CB-CG1 4.27Å; F582-V607 HydrophobicContact CD1-CG1 4.35Å; F582-V607 HydrophobicContact CD2-CG1 3.48Å; F582-V607 VanDerWaalsContact CD2-CG1 3.48Å; F582-V607 HydrophobicContact CE2-CG1 3.82Å; F582-V607 HydrophobicContact CG-CG1 3.78Å; F582-V607 HydrophobicContact CZ-CG1 4.39Å; F582-N608 PolarHBondContact N-OD1 3.31Å; F582-N608 PolarHBondContact O-ND2 3.04Å; F582-L624 HydrophobicContact CE2-CD1 4.29Å; F582-L624 HydrophobicContact CZ-CD1 3.82Å; F582-Q627 HydrophobicContact CE2-CB 3.73Å; F582-Q627 HydrophobicContact CE2-CG 4.27Å; F582-Q627 HydrophobicContact CZ-CB 3.81Å; F582-I628 HydrophobicContact CE1-CG1 4.02Å; F582-I628 HydrophobicContact CZ-CG1 4.05Å; F582-L631 HydrophobicContact CD1-CD1 3.75Å; F582-L631 HydrophobicContact CE1-CD1 4.12Å
583	S	94.1	Very high	88.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131	168.9	-54.6	0	0	0	0	109.1	Y532 Y537 V541 A568	Y532-S583 PolarHBondContact OH-OG 2.86Å; Y537-S583 WeakPolarHBondContact CE2-O 3.38Å; V541-S583 WeakPolarHBondContact CG2-OG 3.43Å; A568-S583 PolarHBondContact N-O 3.08Å; A568-S583 PolarHBondContact O-N 3.2Å
584	L	95.1	Very high	88.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.9	-165.3	-56.3	-178.5	0	0	0	112.7	L565 H566 A567 F582 S593 V603 E604 L631	L565-L584 HydrophobicContact CD1-CB 4.16Å; H566-L584 WeakPolarHBondContact O-CA 3.49Å; A567-L584 HydrophobicContact CB-CD2 3.7Å; F582-L584 HydrophobicContact CB-CD2 4.41Å; L584-S593 WeakPolarHBondContact O-CA 3.47Å; L584-V603 HydrophobicContact CD1-CB 4.17Å; L584-V603 HydrophobicContact CD1-CG1 3.65Å; L584-E604 HydrophobicContact CB-CG 4.06Å; L584-E604 HydrophobicContact CD1-CG 3.67Å; L584-E604 HydrophobicContact CG-CG 3.64Å; L584-E604 PolarHBondContact N-OE1 3.45Å; L584-L631 HydrophobicContact CD2-CD1 3.68Å; L584-L631 HydrophobicContact CD2-CG 4.37Å
585	S	94.3	Very high	88.4	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.4	167.3	179.9	0	0	0	0	110.2	H566 E591 C592	H566-S585 PolarHBondContact N-O 3.38Å; H566-S585 PolarHBondContact O-N 2.9Å; S585-E591 VanDerWaalsContact OG-CG 3.27Å; S585-E591 WeakPolarHBondContact OG-CG 3.31Å; S585-E591 PolarHBondContact OG-OE1 3.18Å; S585-C592 CarbonylContact C-O 3.57Å; S585-C592 WeakPolarHBondContact CA-O 3.5Å
586	L	93.4	Very high	88.3	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.1	178.2	-177.2	65.6	0	0	0	109.8	A563 L565 C592 L600 L635 Y638	A563-L586 HydrophobicContact CB-CD1 4.46Å; L565-L586 HydrophobicContact CB-CD1 3.96Å; L565-L586 HydrophobicContact CD1-CB 4Å; L565-L586 HydrophobicContact CD1-CD1 4.21Å; L586-C592 PolarHBondContact N-O 2.88Å; L586-C592 PolarHBondContact O-N 2.99Å; L586-L600 HydrophobicContact CB-CD1 3.87Å; L586-L600 HydrophobicContact CB-CD2 4.15Å; L586-L600 HydrophobicContact CD2-CD2 4.49Å; L586-L635 HydrophobicContact CD1-CD1 3.87Å; L586-Y638 HydrophobicContact CD2-CD1 3.97Å; L586-Y638 HydrophobicContact CD2-CE1 3.45Å; L586-Y638 VanDerWaalsContact CD2-CE1 3.45Å
587	N	92	Very high	88.5	Confident	83 Å²	83	47.6 Å²	47.6	44%	0.444	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.5	170.5	-172.5	0.6	0	0	0	109.5	C564	C564-N587 PolarHBondContact N-O 3.42Å; C564-N587 PolarHBondContact O-N 2.92Å
588	W	84.8	Confident	88.8	Confident	41 Å²	41	44.6 Å²	44.6	16%	0.155	24%	0.236	C	C	.	.	S	Bend	trans	-150.3	-59.9	176.6	176.6	40.5	0	0	0	112.3	T562 A563 G590 L639 E642 E653 F654	T562-W588 PolarHBondContact OG1-NE1 2.91Å; T562-W588 VanDerWaalsContact OG1-NE1 3.1Å; A563-W588 HydrophobicContact CB-CB 3.98Å; A563-W588 HydrophobicContact CB-CD2 4.38Å; A563-W588 HydrophobicContact CB-CG 3.87Å; W588-G590 PolarHBondContact N-O 3.21Å; W588-L639 HydrophobicContact CD2-CD2 4.14Å; W588-L639 HydrophobicContact CE3-CD2 3.68Å; W588-L639 HydrophobicContact CH2-CD2 4.22Å; W588-L639 HydrophobicContact CZ3-CD2 3.69Å; W588-E642 WeakPolarHBondContact CH2-OE2 3.43Å; W588-E642 WeakPolarHBondContact CZ3-OE1 3.29Å; W588-E642 WeakPolarHBondContact CZ3-OE2 3.39Å; W588-E653 PolarHBondContact NE1-OE2 2.9Å; W588-E653 VanDerWaalsContact NE1-OE2 3.14Å; W588-F654 HydrophobicContact CD2-CE2 4.38Å; W588-F654 AromaticContact CE2-CE2 3.62Å; W588-F654 HydrophobicContact CH2-CD2 4.08Å; W588-F654 AromaticContact CH2-CE2 3.96Å; W588-F654 HydrophobicContact CH2-CE2 3.96Å; W588-F654 AromaticContact CZ2-CD2 3.88Å; W588-F654 HydrophobicContact CZ2-CD2 3.88Å; W588-F654 AromaticContact CZ2-CE2 3.41Å; W588-F654 HydrophobicContact CZ2-CE2 3.41Å; W588-F654 VanDerWaalsContact CZ2-CE2 3.41Å; W588-F654 AromaticContact NE1-CE2 3.85Å
589	K	80.1	Confident	88.9	Confident	140 Å²	140	43 Å²	43	61%	0.609	23%	0.228	S	C	*	.	S	Bend	trans	-115.5	45.6	176.2	-68	175.2	179.4	166.7	0	110.5	E642	K589-E642 IonicContact NZ-OE2 2.99Å; K589-E642 PolarHBondContact NZ-OE2 3.22Å
590	G	83	Confident	88.9	Confident	43 Å²	43	42.9 Å²	42.9	44%	0.443	23%	0.227	S	C	.	.	S	Bend	trans	102.2	174.4	-160.8	0	0	0	0	0	111.5	W588	W588-G590 PolarHBondContact N-O 3.21Å
591	E	86.5	Confident	88.8	Confident	131 Å²	131	50.5 Å²	50.5	61%	0.612	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.5	179.4	-170.4	175.9	-171.5	0	0	110.3	S585	S585-E591 VanDerWaalsContact OG-CG 3.27Å; S585-E591 WeakPolarHBondContact OG-CG 3.31Å; S585-E591 PolarHBondContact OG-OE1 3.18Å
592	C	86.7	Confident	88.8	Confident	44 Å²	44	49.3 Å²	49.3	30%	0.297	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.1	176	-68.1	0	0	0	0	109.9	S585 L586 S596 D597 L600	S585-C592 CarbonylContact C-O 3.57Å; S585-C592 WeakPolarHBondContact CA-O 3.5Å; L586-C592 PolarHBondContact N-O 2.88Å; L586-C592 PolarHBondContact O-N 2.99Å; C592-S596 WeakPolarHBondContact CA-OG 3.48Å; C592-D597 HydrophobicContact CB-CB 4.46Å; C592-L600 HydrophobicContact CB-CD1 3.76Å; C592-L600 VanDerWaalsContact O-CD1 3.26Å; C592-L600 WeakPolarHBondContact O-CD1 3.45Å
593	S	88.2	Confident	88.7	Confident	22 Å²	22	49.4 Å²	49.4	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	173.3	175.5	65.3	0	0	0	0	111.2	L584 R595 S596 D597	L584-S593 WeakPolarHBondContact O-CA 3.47Å; S593-R595 PolarHBondContact O-N 3.26Å; S593-R595 PolarHBondContact OG-N 3.14Å; S593-S596 PolarHBondContact N-OG 2.87Å; S593-S596 PolarHBondContact O-N 3.38Å; S593-S596 PolarHBondContact O-OG 3.2Å; S593-D597 PolarHBondContact O-N 3.3Å
594	G	80.3	Confident	88.6	Confident	7 Å²	7	50.1 Å²	50.1	7%	0.072	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-12.8	173.1	0	0	0	0	0	114.9	R601	G594-R601 WeakPolarHBondContact O-CB 3.48Å
595	R	82.5	Confident	88.4	Confident	145 Å²	145	52 Å²	52	55%	0.547	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-29.4	171.9	-72.8	-176.5	169	-171.1	-5.4	113.2	E543 S593	E543-R595 IonicContact OE2-NH2 2.72Å; S593-R595 PolarHBondContact O-N 3.26Å; S593-R595 PolarHBondContact OG-N 3.14Å
596	S	86.4	Confident	88.3	Confident	81 Å²	81	52.2 Å²	52.2	57%	0.566	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-24	-176.5	64.9	0	0	0	0	113.5	C592 S593	C592-S596 WeakPolarHBondContact CA-OG 3.48Å; S593-S596 PolarHBondContact N-OG 2.87Å; S593-S596 PolarHBondContact O-N 3.38Å; S593-S596 PolarHBondContact O-OG 3.2Å
597	D	88.1	Confident	88.3	Confident	25 Å²	25	51.9 Å²	51.9	13%	0.134	27%	0.268	C	S	.	.			trans	-129.1	119.4	178.6	177.7	16.3	0	0	0	112	C592 S593 N599 L600 R601 Y638	C592-D597 HydrophobicContact CB-CB 4.46Å; S593-D597 PolarHBondContact O-N 3.3Å; D597-N599 PolarHBondContact O-N 2.84Å; D597-N599 WeakPolarHBondContact OD1-CB 3.47Å; D597-N599 PolarHBondContact OD1-N 2.98Å; D597-N599 PolarHBondContact OD1-ND2 2.99Å; D597-L600 HydrophobicContact CB-CB 4.31Å; D597-L600 HydrophobicContact CB-CD1 4.24Å; D597-L600 HydrophobicContact CB-CG 4.32Å; D597-L600 PolarHBondContact O-N 3.14Å; D597-R601 PolarHBondContact O-N 3.5Å; D597-R601 VanDerWaalsContact O-N 3.08Å; D597-Y638 VanDerWaalsContact OD2-CE2 3.31Å; D597-Y638 WeakPolarHBondContact OD2-CE2 3.5Å; D597-Y638 PolarHBondContact OD2-OH 3.01Å
598	D	89.7	Confident	88.3	Confident	68 Å²	68	49.3 Å²	49.3	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-28.5	177.1	-82.1	-14.7	0	0	0	113	A602 N668 L670	D598-A602 WeakPolarHBondContact O-CB 3.32Å; D598-A602 PolarHBondContact O-N 3.21Å; D598-N668 HydrophobicContact CB-CB 4.42Å; D598-N668 WeakPolarHBondContact OD2-CB 3.33Å; D598-N668 VanDerWaalsContact OD2-CG 3.31Å; D598-N668 PolarHBondContact OD2-ND2 2.91Å; D598-L670 HydrophobicContact CB-CD2 4.34Å
599	N	90.4	Very high	88.6	Confident	19 Å²	19	52 Å²	52	10%	0.102	28%	0.275	C	S	.	.	H	α-helix	trans	-73.2	-40.5	177.1	-69.8	-71.9	0	0	0	111.4	D597 R601 A602 V603 Y638 L670 K671 F673	D597-N599 PolarHBondContact O-N 2.84Å; D597-N599 WeakPolarHBondContact OD1-CB 3.47Å; D597-N599 PolarHBondContact OD1-N 2.98Å; D597-N599 PolarHBondContact OD1-ND2 2.99Å; N599-R601 VanDerWaalsContact C-N 3.31Å; N599-A602 WeakPolarHBondContact O-CB 3.42Å; N599-A602 PolarHBondContact O-N 3.47Å; N599-V603 WeakPolarHBondContact O-CG2 3.44Å; N599-V603 PolarHBondContact O-N 3.39Å; N599-Y638 HydrophobicContact CB-CD2 4.01Å; N599-Y638 HydrophobicContact CB-CE2 3.68Å; N599-L670 WeakPolarHBondContact OD1-CA 3.47Å; N599-K671 HydrophobicContact CB-CD 4.38Å; N599-K671 WeakPolarHBondContact OD1-CG 3.44Å; N599-K671 PolarHBondContact OD1-N 3.29Å; N599-F673 HydrophobicContact CB-CZ 4.4Å
600	L	90.6	Very high	89	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-38.8	172	-75.1	176	0	0	0	111.4	L565 L586 C592 D597 A602 V603 E604 Y638	L565-L600 HydrophobicContact CD1-CD2 4.48Å; L586-L600 HydrophobicContact CB-CD1 3.87Å; L586-L600 HydrophobicContact CB-CD2 4.15Å; L586-L600 HydrophobicContact CD2-CD2 4.49Å; C592-L600 HydrophobicContact CB-CD1 3.76Å; C592-L600 VanDerWaalsContact O-CD1 3.26Å; C592-L600 WeakPolarHBondContact O-CD1 3.45Å; D597-L600 HydrophobicContact CB-CB 4.31Å; D597-L600 HydrophobicContact CB-CD1 4.24Å; D597-L600 HydrophobicContact CB-CG 4.32Å; D597-L600 PolarHBondContact O-N 3.14Å; L600-A602 VanDerWaalsContact C-N 3.3Å; L600-A602 PolarHBondContact O-N 3.05Å; L600-V603 WeakPolarHBondContact O-CB 3.38Å; L600-V603 PolarHBondContact O-N 3.07Å; L600-V603 VanDerWaalsContact O-N 3.14Å; L600-E604 PolarHBondContact O-N 3.16Å; L600-Y638 HydrophobicContact CG-CE2 4.49Å
601	R	91.4	Very high	89	Confident	160 Å²	160	49.7 Å²	49.7	60%	0.604	25%	0.253	S	S	*	.	H	α-helix	trans	-61.3	-38.3	172	-164.9	176.4	178.2	171.1	1.5	112.5	G594 D597 N599 E604 S605	G594-R601 WeakPolarHBondContact O-CB 3.48Å; D597-R601 PolarHBondContact O-N 3.5Å; D597-R601 VanDerWaalsContact O-N 3.08Å; N599-R601 VanDerWaalsContact C-N 3.31Å; R601-E604 WeakPolarHBondContact O-CB 3.45Å; R601-E604 PolarHBondContact O-N 2.92Å; R601-S605 PolarHBondContact O-N 3.38Å
602	A	91.6	Very high	89	Confident	15 Å²	15	49.2 Å²	49.2	12%	0.124	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-38.6	173.9	0	0	0	0	0	111.7	D598 N599 L600 S605 E606 L670 F673	D598-A602 WeakPolarHBondContact O-CB 3.32Å; D598-A602 PolarHBondContact O-N 3.21Å; N599-A602 WeakPolarHBondContact O-CB 3.42Å; N599-A602 PolarHBondContact O-N 3.47Å; L600-A602 VanDerWaalsContact C-N 3.3Å; L600-A602 PolarHBondContact O-N 3.05Å; A602-S605 WeakPolarHBondContact O-CB 3.19Å; A602-S605 PolarHBondContact O-N 2.77Å; A602-S605 VanDerWaalsContact O-N 3.17Å; A602-S605 PolarHBondContact O-OG 3.44Å; A602-E606 PolarHBondContact O-N 2.84Å; A602-L670 HydrophobicContact CB-CD2 4.01Å; A602-F673 HydrophobicContact CB-CD2 4.07Å; A602-F673 HydrophobicContact CB-CE2 3.9Å
603	V	92.9	Very high	89	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-43.3	172.5	177.2	0	0	0	0	111.4	L584 N599 L600 S605 E606 V607 C634 F673	L584-V603 HydrophobicContact CD1-CB 4.17Å; L584-V603 HydrophobicContact CD1-CG1 3.65Å; N599-V603 WeakPolarHBondContact O-CG2 3.44Å; N599-V603 PolarHBondContact O-N 3.39Å; L600-V603 WeakPolarHBondContact O-CB 3.38Å; L600-V603 PolarHBondContact O-N 3.07Å; L600-V603 VanDerWaalsContact O-N 3.14Å; V603-S605 VanDerWaalsContact C-N 3.26Å; V603-S605 PolarHBondContact O-N 2.98Å; V603-E606 PolarHBondContact O-N 3.47Å; V603-V607 PolarHBondContact O-N 3.36Å; V603-C634 HydrophobicContact CB-CB 4.35Å; V603-C634 HydrophobicContact CG1-CB 3.57Å; V603-C634 HydrophobicContact CG2-CB 3.9Å; V603-F673 HydrophobicContact CG2-CD1 4.11Å; V603-F673 HydrophobicContact CG2-CD2 4.22Å; V603-F673 HydrophobicContact CG2-CE1 3.63Å; V603-F673 HydrophobicContact CG2-CE2 3.75Å; V603-F673 HydrophobicContact CG2-CG 4.39Å; V603-F673 HydrophobicContact CG2-CZ 3.43Å; V603-F673 VanDerWaalsContact CG2-CZ 3.43Å
604	E	92.4	Very high	88.9	Confident	16 Å²	16	49.9 Å²	49.9	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-41.6	172.3	-73.8	177.1	164.3	0	0	111.2	L584 L600 R601 V607 N608	L584-E604 HydrophobicContact CB-CG 4.06Å; L584-E604 HydrophobicContact CD1-CG 3.67Å; L584-E604 HydrophobicContact CG-CG 3.64Å; L584-E604 PolarHBondContact N-OE1 3.45Å; L600-E604 PolarHBondContact O-N 3.16Å; R601-E604 WeakPolarHBondContact O-CB 3.45Å; R601-E604 PolarHBondContact O-N 2.92Å; E604-V607 PolarHBondContact O-N 2.91Å; E604-N608 VanDerWaalsContact O-CB 3.25Å; E604-N608 WeakPolarHBondContact O-CB 3.31Å; E604-N608 PolarHBondContact O-N 2.82Å; E604-N608 PolarHBondContact O-ND2 2.91Å
605	S	91.4	Very high	89	Confident	38 Å²	38	53 Å²	53	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-65.7	-37.9	177.9	80.5	0	0	0	0	113.2	R601 A602 V603 V607 V609 F610	R601-S605 PolarHBondContact O-N 3.38Å; A602-S605 WeakPolarHBondContact O-CB 3.19Å; A602-S605 PolarHBondContact O-N 2.77Å; A602-S605 VanDerWaalsContact O-N 3.17Å; A602-S605 PolarHBondContact O-OG 3.44Å; V603-S605 VanDerWaalsContact C-N 3.26Å; V603-S605 PolarHBondContact O-N 2.98Å; S605-V607 VanDerWaalsContact C-N 3.27Å; S605-V607 PolarHBondContact O-N 3.03Å; S605-V609 WeakPolarHBondContact O-CA 3.35Å; S605-V609 VanDerWaalsContact O-CB 3.31Å; S605-V609 WeakPolarHBondContact O-CB 3.35Å; S605-V609 PolarHBondContact O-N 2.78Å; S605-F610 VanDerWaalsContact O-CD2 3.31Å; S605-F610 WeakPolarHBondContact O-CD2 3.39Å; S605-F610 PolarHBondContact O-N 3.47Å
606	E	91.8	Very high	88.8	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-35.3	175	-73.7	-66.5	158.2	0	0	112.7	A602 V603 F673 R685	A602-E606 PolarHBondContact O-N 2.84Å; V603-E606 PolarHBondContact O-N 3.47Å; E606-F673 HydrophobicContact CG-CB 3.75Å; E606-R685 WeakPolarHBondContact OE1-CD 3.34Å; E606-R685 WeakPolarHBondContact OE1-CG 3.26Å; E606-R685 IonicContact OE1-CZ 3.55Å; E606-R685 IonicContact OE1-NE 2.72Å; E606-R685 PolarHBondContact OE1-NE 2.96Å; E606-R685 IonicContact OE1-NH2 3.32Å; E606-R685 IonicContact OE2-CZ 3.51Å; E606-R685 IonicContact OE2-NE 2.79Å; E606-R685 PolarHBondContact OE2-NE 3.21Å; E606-R685 IonicContact OE2-NH2 2.83Å; E606-R685 PolarHBondContact OE2-NH2 3.5Å
607	V	92.5	Very high	88.5	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-89	-42	-178.2	-178.7	0	0	0	0	111.9	F582 V603 E604 S605 Q627 R630 L631	F582-V607 HydrophobicContact CB-CG1 4.27Å; F582-V607 HydrophobicContact CD1-CG1 4.35Å; F582-V607 HydrophobicContact CD2-CG1 3.48Å; F582-V607 VanDerWaalsContact CD2-CG1 3.48Å; F582-V607 HydrophobicContact CE2-CG1 3.82Å; F582-V607 HydrophobicContact CG-CG1 3.78Å; F582-V607 HydrophobicContact CZ-CG1 4.39Å; V603-V607 PolarHBondContact O-N 3.36Å; E604-V607 PolarHBondContact O-N 2.91Å; S605-V607 VanDerWaalsContact C-N 3.27Å; S605-V607 PolarHBondContact O-N 3.03Å; V607-Q627 HydrophobicContact CG1-CB 3.64Å; V607-Q627 HydrophobicContact CG1-CG 3.72Å; V607-Q627 PolarHBondContact O-NE2 3.39Å; V607-R630 HydrophobicContact CG2-CG 4.33Å; V607-L631 HydrophobicContact CG2-CB 4.2Å
608	N	92.5	Very high	88	Confident	29 Å²	29	55.6 Å²	55.6	16%	0.155	28%	0.284	C	S	.	.	H	α-helix	trans	-88.7	-42.5	-172.1	-65.1	-30.8	0	0	0	113.5	L581 F582 E604	L581-N608 HydrophobicContact CD2-CB 4.38Å; F582-N608 PolarHBondContact N-OD1 3.31Å; F582-N608 PolarHBondContact O-ND2 3.04Å; E604-N608 VanDerWaalsContact O-CB 3.25Å; E604-N608 WeakPolarHBondContact O-CB 3.31Å; E604-N608 PolarHBondContact O-N 2.82Å; E604-N608 PolarHBondContact O-ND2 2.91Å
609	V	90.8	Very high	87.2	Confident	97 Å²	97	56.2 Å²	56.2	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-45.9	-173.3	-177.4	0	0	0	0	110.8	S605 K611	S605-V609 WeakPolarHBondContact O-CA 3.35Å; S605-V609 VanDerWaalsContact O-CB 3.31Å; S605-V609 WeakPolarHBondContact O-CB 3.35Å; S605-V609 PolarHBondContact O-N 2.78Å; V609-K611 PolarHBondContact O-N 3.31Å; V609-K611 VanDerWaalsContact O-N 3.16Å
610	F	89.4	Confident	86.7	Confident	69 Å²	69	55.4 Å²	55.4	30%	0.303	29%	0.288	S	S	.	.	S	Bend	trans	-85.2	22.5	-178.1	-59.3	-71.7	0	0	0	113.9	S605 N612 E613	S605-F610 VanDerWaalsContact O-CD2 3.31Å; S605-F610 WeakPolarHBondContact O-CD2 3.39Å; S605-F610 PolarHBondContact O-N 3.47Å; F610-N612 PolarHBondContact O-N 3.29Å; F610-E613 WeakPolarHBondContact O-CB 3.42Å; F610-E613 PolarHBondContact O-N 2.93Å; F610-E613 VanDerWaalsContact O-N 3.08Å
611	K	83.8	Confident	86.5	Confident	66 Å²	66	56.9 Å²	56.9	29%	0.287	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-51.7	-29.6	178.6	63.7	-179.3	-178.9	-169.7	0	115.5	S579 V609 E613 L614 Q615 L623	S579-K611 WeakPolarHBondContact OG-CD 3.31Å; S579-K611 PolarHBondContact OG-NZ 3.13Å; V609-K611 PolarHBondContact O-N 3.31Å; V609-K611 VanDerWaalsContact O-N 3.16Å; K611-E613 PolarHBondContact O-N 3.41Å; K611-L614 WeakPolarHBondContact O-CA 3.47Å; K611-L614 WeakPolarHBondContact O-CB 3.38Å; K611-L614 PolarHBondContact O-N 3.12Å; K611-Q615 PolarHBondContact O-N 3.5Å; K611-L623 HydrophobicContact CB-CD1 4.37Å
612	N	85.4	Confident	86.4	Confident	121 Å²	121	52.1 Å²	52.1	65%	0.647	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-63	-27.3	-178.9	-65.9	-15.2	0	0	0	111.7	F610 L614	F610-N612 PolarHBondContact O-N 3.29Å; N612-L614 VanDerWaalsContact C-N 3.26Å; N612-L614 PolarHBondContact O-N 3.11Å
613	E	87.4	Confident	86.4	Confident	79 Å²	79	51.6 Å²	51.6	37%	0.369	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-73.9	-19.4	174.6	-59.9	-179.1	-177.9	0	0	112.4	L512 F610 K611 R685	L512-E613 WeakPolarHBondContact CD2-O 3.4Å; F610-E613 WeakPolarHBondContact O-CB 3.42Å; F610-E613 PolarHBondContact O-N 2.93Å; F610-E613 VanDerWaalsContact O-N 3.08Å; K611-E613 PolarHBondContact O-N 3.41Å; E613-R685 IonicContact OE1-CZ 3.49Å; E613-R685 IonicContact OE1-NH1 2.82Å; E613-R685 PolarHBondContact OE1-NH1 2.72Å; E613-R685 IonicContact OE1-NH2 2.74Å; E613-R685 PolarHBondContact OE1-NH2 3.03Å; E613-R685 IonicContact OE2-CZ 2.71Å; E613-R685 IonicContact OE2-NH1 3.61Å; E613-R685 IonicContact OE2-NH2 3.82Å; E613-R685 PolarHBondContact OE2-NH2 2.89Å
614	L	85.4	Confident	86.4	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-5.3	-175	-62.1	176.3	0	0	0	113.4	F513 K611 N612 G616 L623 N626 Q627 R630	F513-L614 HydrophobicContact CE1-CD2 4.31Å; F513-L614 HydrophobicContact CZ-CD2 4.33Å; K611-L614 WeakPolarHBondContact O-CA 3.47Å; K611-L614 WeakPolarHBondContact O-CB 3.38Å; K611-L614 PolarHBondContact O-N 3.12Å; N612-L614 VanDerWaalsContact C-N 3.26Å; N612-L614 PolarHBondContact O-N 3.11Å; L614-G616 VanDerWaalsContact C-N 3.28Å; L614-G616 PolarHBondContact O-N 3.38Å; L614-L623 HydrophobicContact CB-CD1 3.88Å; L614-N626 HydrophobicContact CB-CB 4.15Å; L614-N626 HydrophobicContact CD2-CB 4.47Å; L614-N626 WeakPolarHBondContact O-CB 3.49Å; L614-N626 PolarHBondContact O-ND2 3.34Å; L614-Q627 HydrophobicContact CD1-CG 3.86Å; L614-R630 HydrophobicContact CD1-CB 3.93Å; L614-R630 HydrophobicContact CD1-CG 4.13Å; L614-R630 HydrophobicContact CD2-CB 4.1Å; L614-R630 HydrophobicContact CD2-CG 4.47Å
615	Q	81.5	Confident	86.4	Confident	72 Å²	72	50.8 Å²	50.8	34%	0.336	27%	0.27	S	S	.	.			trans	-69	-25	-172.7	-163.1	169.5	15.3	0	0	113.1	K611 G620 L623	K611-Q615 PolarHBondContact O-N 3.5Å; Q615-G620 WeakPolarHBondContact O-CA 3.46Å; Q615-L623 HydrophobicContact CB-CD1 4.49Å
616	G	79.7	Confident	86.5	Confident	34 Å²	34	49 Å²	49	35%	0.351	26%	0.258	S	S	.	.			trans	65	-160.7	-177.4	0	0	0	0	0	112.9	L614	L614-G616 VanDerWaalsContact C-N 3.28Å; L614-G616 PolarHBondContact O-N 3.38Å
617	P	79.8	Confident	86.6	Confident	67 Å²	67	48.7 Å²	48.7	44%	0.435	26%	0.256	S	S	.	.	S	Bend	trans	-68.5	143.9	178.3	21.9	-23.9	0	0	0	111.9	E508 G620	E508-P617 HydrophobicContact CB-CG 4.35Å; E508-P617 WeakPolarHBondContact OE2-CG 3.38Å; P617-G620 WeakPolarHBondContact O-CA 3.46Å; P617-G620 PolarHBondContact O-N 2.72Å
618	K	77.9	Confident	86.7	Confident	204 Å²	204	48.8 Å²	48.8	89%	0.887	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	131.4	175.9	-68.6	-174	177.5	-178	0	109.2
619	P	71.5	Confident	86.7	Confident	82 Å²	82	47.5 Å²	47.5	53%	0.532	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.2	2.7	22.3	-7.3	26.8	0	0	0	116.5	P576 H621	P576-P619 VanDerWaalsContact CG-O 3.26Å; P576-P619 WeakPolarHBondContact CG-O 3.29Å; P619-H621 WeakPolarHBondContact CG-NE2 3.38Å
620	G	81.7	Confident	86.8	Confident	2 Å²	2	43.3 Å²	43.3	2%	0.021	22%	0.224	C	C	.	.			trans	80.2	28.1	176.1	0	0	0	0	0	115.7	Q615 P617 Q622 L623	Q615-G620 WeakPolarHBondContact O-CA 3.46Å; P617-G620 WeakPolarHBondContact O-CA 3.46Å; P617-G620 PolarHBondContact O-N 2.72Å; G620-Q622 PolarHBondContact O-N 3.03Å; G620-Q622 VanDerWaalsContact O-N 3.14Å; G620-L623 PolarHBondContact O-N 2.79Å
621	H	86.3	Confident	87.1	Confident	33 Å²	33	40.1 Å²	40.1	15%	0.153	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.3	-179	-61	-44.6	0	0	0	114.7	A490 Q494 Y575 P619	A490-H621 HydrophobicContact CB-CB 3.78Å; Q494-H621 PolarHBondContact NE2-O 3.11Å; Y575-H621 VanDerWaalsContact OH-C 3.26Å; Y575-H621 PolarHBondContact OH-O 3.23Å; P619-H621 WeakPolarHBondContact CG-NE2 3.38Å
622	Q	88	Confident	87.6	Confident	61 Å²	61	37 Å²	37	29%	0.285	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	10.6	-179.4	-60	-63.6	-23.1	0	0	113.6	Q494 G620 L624 T625 N626	Q494-Q622 VanDerWaalsContact NE2-CD 3.26Å; G620-Q622 PolarHBondContact O-N 3.03Å; G620-Q622 VanDerWaalsContact O-N 3.14Å; Q622-L624 PolarHBondContact O-N 3.32Å; Q622-T625 PolarHBondContact O-N 3.49Å; Q622-T625 PolarHBondContact O-OG1 3.21Å; Q622-T625 VanDerWaalsContact O-OG1 3.07Å; Q622-T625 PolarHBondContact OE1-OG1 3.45Å; Q622-N626 WeakPolarHBondContact O-CB 3.32Å; Q622-N626 PolarHBondContact O-N 3.31Å; Q622-N626 PolarHBondContact O-ND2 3.41Å
623	L	92.4	Very high	87.9	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-44.7	-177.1	177.8	63.2	0	0	0	112.5	Y575 K611 L614 Q615 G620 N626 Q627	Y575-L623 HydrophobicContact CE2-CB 4.13Å; Y575-L623 PolarHBondContact OH-N 3.2Å; K611-L623 HydrophobicContact CB-CD1 4.37Å; L614-L623 HydrophobicContact CB-CD1 3.88Å; Q615-L623 HydrophobicContact CB-CD1 4.49Å; G620-L623 PolarHBondContact O-N 2.79Å; L623-N626 PolarHBondContact O-N 2.74Å; L623-Q627 HydrophobicContact CD1-CG 4.19Å; L623-Q627 HydrophobicContact CG-CG 4.46Å; L623-Q627 WeakPolarHBondContact O-CB 3.45Å; L623-Q627 WeakPolarHBondContact O-CG 3.34Å; L623-Q627 PolarHBondContact O-N 2.82Å
624	L	93.4	Very high	88.2	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-48.3	-178.3	178	67.5	0	0	0	112.4	L491 F495 V569 Y575 P580 F582 Q622 N626 Q627 I628	L491-L624 HydrophobicContact CD2-CD2 3.94Å; F495-L624 HydrophobicContact CD1-CD2 4.44Å; F495-L624 HydrophobicContact CE1-CD2 3.58Å; F495-L624 HydrophobicContact CZ-CD2 4.39Å; V569-L624 HydrophobicContact CG1-CD1 4.26Å; Y575-L624 HydrophobicContact CE2-CB 4.33Å; Y575-L624 PolarHBondContact OH-N 3.16Å; Y575-L624 VanDerWaalsContact OH-N 3.15Å; P580-L624 HydrophobicContact CB-CD1 3.97Å; P580-L624 HydrophobicContact CG-CB 4.2Å; P580-L624 HydrophobicContact CG-CD1 3.72Å; F582-L624 HydrophobicContact CE2-CD1 4.29Å; F582-L624 HydrophobicContact CZ-CD1 3.82Å; Q622-L624 PolarHBondContact O-N 3.32Å; L624-N626 VanDerWaalsContact C-N 3.32Å; L624-N626 PolarHBondContact O-N 3.41Å; L624-Q627 WeakPolarHBondContact O-CB 3.43Å; L624-Q627 PolarHBondContact O-N 3.45Å; L624-I628 HydrophobicContact CD1-CD1 4.36Å; L624-I628 HydrophobicContact CG-CD1 4.2Å; L624-I628 WeakPolarHBondContact O-CG1 3.01Å; L624-I628 PolarHBondContact O-N 3.14Å
625	T	92.7	Very high	88.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-36.1	-178.8	51.9	0	0	0	0	111.3	Q494 P504 Q622 I628 A629	Q494-T625 HydrophobicContact CB-CG2 3.93Å; Q494-T625 HydrophobicContact CG-CG2 3.68Å; P504-T625 HydrophobicContact CG-CG2 3.86Å; P504-T625 WeakPolarHBondContact O-CB 3.41Å; P504-T625 PolarHBondContact O-OG1 3.03Å; Q622-T625 PolarHBondContact O-N 3.49Å; Q622-T625 PolarHBondContact O-OG1 3.21Å; Q622-T625 VanDerWaalsContact O-OG1 3.07Å; Q622-T625 PolarHBondContact OE1-OG1 3.45Å; T625-I628 PolarHBondContact O-N 3.17Å; T625-A629 WeakPolarHBondContact O-CB 3.05Å; T625-A629 PolarHBondContact O-N 3.32Å
626	N	92.8	Very high	89	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-37	172.6	-72.1	-18.1	0	0	0	112.5	C509 F513 L614 Q622 L623 L624 R630	C509-N626 PolarHBondContact SG-ND2 2.77Å; C509-N626 VanDerWaalsContact SG-ND2 3.41Å; F513-N626 WeakPolarHBondContact CE1-O 3.48Å; F513-N626 HydrophobicContact CZ-CB 3.88Å; F513-N626 WeakPolarHBondContact CZ-O 3.49Å; L614-N626 HydrophobicContact CB-CB 4.15Å; L614-N626 HydrophobicContact CD2-CB 4.47Å; L614-N626 WeakPolarHBondContact O-CB 3.49Å; L614-N626 PolarHBondContact O-ND2 3.34Å; Q622-N626 WeakPolarHBondContact O-CB 3.32Å; Q622-N626 PolarHBondContact O-N 3.31Å; Q622-N626 PolarHBondContact O-ND2 3.41Å; L623-N626 PolarHBondContact O-N 2.74Å; L624-N626 VanDerWaalsContact C-N 3.32Å; L624-N626 PolarHBondContact O-N 3.41Å; N626-R630 WeakPolarHBondContact O-CB 3.48Å; N626-R630 PolarHBondContact O-N 3.4Å
627	Q	93.9	Very high	89.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.4	-45.7	173.4	-80.1	178.4	-51.6	0	0	111.8	P580 F582 V607 L614 L623 L624 A629 R630 L631	P580-Q627 VanDerWaalsContact CD-OE1 3.27Å; P580-Q627 VanDerWaalsContact CG-OE1 3.27Å; P580-Q627 PolarHBondContact O-NE2 2.86Å; F582-Q627 HydrophobicContact CE2-CB 3.73Å; F582-Q627 HydrophobicContact CE2-CG 4.27Å; F582-Q627 HydrophobicContact CZ-CB 3.81Å; V607-Q627 HydrophobicContact CG1-CB 3.64Å; V607-Q627 HydrophobicContact CG1-CG 3.72Å; V607-Q627 PolarHBondContact O-NE2 3.39Å; L614-Q627 HydrophobicContact CD1-CG 3.86Å; L623-Q627 HydrophobicContact CD1-CG 4.19Å; L623-Q627 HydrophobicContact CG-CG 4.46Å; L623-Q627 WeakPolarHBondContact O-CB 3.45Å; L623-Q627 WeakPolarHBondContact O-CG 3.34Å; L623-Q627 PolarHBondContact O-N 2.82Å; L624-Q627 WeakPolarHBondContact O-CB 3.43Å; L624-Q627 PolarHBondContact O-N 3.45Å; Q627-A629 PolarHBondContact O-N 3.27Å; Q627-R630 PolarHBondContact O-N 2.81Å; Q627-L631 WeakPolarHBondContact O-CB 3.37Å; Q627-L631 PolarHBondContact O-N 3.31Å
628	I	94.1	Very high	90.1	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.015	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-43.3	175.8	-62.9	169.6	0	0	0	110.6	L498 I503 W524 I558 F582 L624 T625 L631 C632	L498-I628 HydrophobicContact CD1-CD1 3.82Å; L498-I628 HydrophobicContact CD2-CD1 4.04Å; I503-I628 HydrophobicContact CD1-CG2 3.75Å; I503-I628 HydrophobicContact CG1-CG2 4.05Å; W524-I628 HydrophobicContact CE3-CD1 4.4Å; W524-I628 HydrophobicContact CH2-CD1 4.41Å; W524-I628 HydrophobicContact CZ3-CD1 3.99Å; I558-I628 HydrophobicContact CD1-CG2 4.26Å; F582-I628 HydrophobicContact CE1-CG1 4.02Å; F582-I628 HydrophobicContact CZ-CG1 4.05Å; L624-I628 HydrophobicContact CD1-CD1 4.36Å; L624-I628 HydrophobicContact CG-CD1 4.2Å; L624-I628 WeakPolarHBondContact O-CG1 3.01Å; L624-I628 PolarHBondContact O-N 3.14Å; T625-I628 PolarHBondContact O-N 3.17Å; I628-L631 WeakPolarHBondContact O-CB 3.35Å; I628-L631 PolarHBondContact O-N 3.19Å; I628-C632 PolarHBondContact O-N 2.85Å
629	A	92.7	Very high	90.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-63.6	-41.1	175.9	0	0	0	0	0	112.4	I503 I505 F513 T625 Q627 L631 C632 V633	I503-A629 HydrophobicContact CG2-CB 4.2Å; I505-A629 HydrophobicContact CD1-CB 3.81Å; I505-A629 HydrophobicContact CG1-CB 4.29Å; F513-A629 HydrophobicContact CD1-CB 4.04Å; F513-A629 HydrophobicContact CE1-CB 3.63Å; F513-A629 HydrophobicContact CE2-CB 4.16Å; F513-A629 HydrophobicContact CG-CB 4.49Å; F513-A629 HydrophobicContact CZ-CB 3.71Å; T625-A629 WeakPolarHBondContact O-CB 3.05Å; T625-A629 PolarHBondContact O-N 3.32Å; Q627-A629 PolarHBondContact O-N 3.27Å; A629-L631 VanDerWaalsContact C-N 3.26Å; A629-L631 PolarHBondContact O-N 3.42Å; A629-C632 WeakPolarHBondContact O-CB 3.27Å; A629-C632 PolarHBondContact O-N 3.44Å; A629-V633 WeakPolarHBondContact O-CG2 3.23Å; A629-V633 PolarHBondContact O-N 3.34Å
630	R	93.8	Very high	91.5	Very high	10 Å²	10	7.1 Å²	7.1	4%	0.038	3%	0.033	C	C	.	.	H	α-helix	trans	-61	-39.6	173.9	177.8	67.9	80.5	-140.2	-2.9	110.5	L512 F513 V607 L614 N626 Q627 V633 C634	L512-R630 PolarHBondContact O-NH1 3.25Å; L512-R630 PolarHBondContact O-NH2 3.05Å; F513-R630 HydrophobicContact CE1-CB 4.1Å; V607-R630 HydrophobicContact CG2-CG 4.33Å; L614-R630 HydrophobicContact CD1-CB 3.93Å; L614-R630 HydrophobicContact CD1-CG 4.13Å; L614-R630 HydrophobicContact CD2-CB 4.1Å; L614-R630 HydrophobicContact CD2-CG 4.47Å; N626-R630 WeakPolarHBondContact O-CB 3.48Å; N626-R630 PolarHBondContact O-N 3.4Å; Q627-R630 PolarHBondContact O-N 2.81Å; R630-V633 WeakPolarHBondContact O-CB 3.49Å; R630-V633 PolarHBondContact O-N 2.72Å; R630-C634 WeakPolarHBondContact O-CB 2.93Å; R630-C634 PolarHBondContact O-N 2.96Å; R630-C634 PolarHBondContact O-SG 3.14Å
631	L	94.5	Very high	91.6	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-64.3	-44.9	178.4	-163.4	173.3	0	0	0	111.2	I558 L565 A567 F582 L584 V607 Q627 I628 A629 V633 C634 L635	I558-L631 HydrophobicContact CD1-CB 4.37Å; I558-L631 HydrophobicContact CD1-CD1 4.17Å; I558-L631 HydrophobicContact CD1-CD2 3.42Å; I558-L631 VanDerWaalsContact CD1-CD2 3.42Å; I558-L631 HydrophobicContact CD1-CG 4.2Å; L565-L631 HydrophobicContact CD2-CD2 3.18Å; L565-L631 HydrophobicContact CD2-CG 4.37Å; L565-L631 HydrophobicContact CG-CD2 4.17Å; A567-L631 HydrophobicContact CB-CD1 3.94Å; F582-L631 HydrophobicContact CD1-CD1 3.75Å; F582-L631 HydrophobicContact CE1-CD1 4.12Å; L584-L631 HydrophobicContact CD2-CD1 3.68Å; L584-L631 HydrophobicContact CD2-CG 4.37Å; V607-L631 HydrophobicContact CG2-CB 4.2Å; Q627-L631 WeakPolarHBondContact O-CB 3.37Å; Q627-L631 PolarHBondContact O-N 3.31Å; I628-L631 WeakPolarHBondContact O-CB 3.35Å; I628-L631 PolarHBondContact O-N 3.19Å; A629-L631 VanDerWaalsContact C-N 3.26Å; A629-L631 PolarHBondContact O-N 3.42Å; L631-V633 VanDerWaalsContact C-N 3.32Å; L631-V633 PolarHBondContact O-N 3.44Å; L631-C634 PolarHBondContact O-N 2.76Å; L631-C634 VanDerWaalsContact O-N 3.17Å; L631-L635 PolarHBondContact O-N 3.1Å
632	C	94	Very high	91.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-55	-46.6	170.7	-71.3	0	0	0	0	111.9	I517 S519 I628 A629 C634 L635 D636	I517-C632 HydrophobicContact CG2-CB 3.7Å; S519-C632 WeakPolarHBondContact OG-CA 3.46Å; S519-C632 VanDerWaalsContact OG-CB 3.24Å; S519-C632 WeakPolarHBondContact OG-CB 3.38Å; S519-C632 PolarHBondContact OG-O 2.87Å; I628-C632 PolarHBondContact O-N 2.85Å; A629-C632 WeakPolarHBondContact O-CB 3.27Å; A629-C632 PolarHBondContact O-N 3.44Å; C632-C634 VanDerWaalsContact C-N 3.34Å; C632-C634 PolarHBondContact O-N 3.18Å; C632-L635 PolarHBondContact O-N 3.07Å; C632-D636 PolarHBondContact O-N 3.35Å
633	V	93.1	Very high	90.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.8	-40.9	177.5	174	0	0	0	0	111.7	F513 P514 I517 A629 R630 L631 D636 V637 F682	F513-V633 HydrophobicContact CD1-CG2 4.29Å; P514-V633 HydrophobicContact CG-CG1 4.09Å; P514-V633 HydrophobicContact CG-CG2 3.9Å; I517-V633 HydrophobicContact CD1-CG2 3.87Å; I517-V633 HydrophobicContact CG1-CG2 3.94Å; I517-V633 HydrophobicContact CG2-CG2 4.48Å; A629-V633 WeakPolarHBondContact O-CG2 3.23Å; A629-V633 PolarHBondContact O-N 3.34Å; R630-V633 WeakPolarHBondContact O-CB 3.49Å; R630-V633 PolarHBondContact O-N 2.72Å; L631-V633 VanDerWaalsContact C-N 3.32Å; L631-V633 PolarHBondContact O-N 3.44Å; V633-D636 WeakPolarHBondContact O-CB 3.45Å; V633-D636 PolarHBondContact O-N 2.99Å; V633-V637 WeakPolarHBondContact O-CG2 3.35Å; V633-V637 PolarHBondContact O-N 3.21Å; V633-F682 HydrophobicContact CG1-CE1 3.55Å; V633-F682 HydrophobicContact CG1-CZ 3.49Å; V633-F682 VanDerWaalsContact CG1-CZ 3.49Å
634	C	92.3	Very high	89.5	Confident	1 Å²	1	12.3 Å²	12.3	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-67.4	-38.3	178	-67.7	0	0	0	0	111.9	V603 R630 L631 C632 D636 V637 Y638 F673	V603-C634 HydrophobicContact CB-CB 4.35Å; V603-C634 HydrophobicContact CG1-CB 3.57Å; V603-C634 HydrophobicContact CG2-CB 3.9Å; R630-C634 WeakPolarHBondContact O-CB 2.93Å; R630-C634 PolarHBondContact O-N 2.96Å; R630-C634 PolarHBondContact O-SG 3.14Å; L631-C634 PolarHBondContact O-N 2.76Å; L631-C634 VanDerWaalsContact O-N 3.17Å; C632-C634 VanDerWaalsContact C-N 3.34Å; C632-C634 PolarHBondContact O-N 3.18Å; C634-D636 VanDerWaalsContact C-N 3.35Å; C634-V637 PolarHBondContact O-N 3.26Å; C634-Y638 VanDerWaalsContact O-CB 3.23Å; C634-Y638 WeakPolarHBondContact O-CB 3.24Å; C634-Y638 PolarHBondContact O-N 3.15Å; C634-F673 HydrophobicContact CB-CD1 4.15Å
635	L	92.9	Very high	87.8	Confident	4 Å²	4	18 Å²	18	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-41.3	173.5	-178.9	61.9	0	0	0	111.2	I558 L565 L586 L631 C632 V637 Y638 L639	I558-L635 HydrophobicContact CB-CD2 4.44Å; I558-L635 HydrophobicContact CG2-CD2 3.7Å; L565-L635 HydrophobicContact CB-CD1 4.37Å; L565-L635 HydrophobicContact CB-CD2 3.99Å; L565-L635 HydrophobicContact CD2-CB 4.2Å; L565-L635 HydrophobicContact CD2-CD1 4.1Å; L565-L635 HydrophobicContact CD2-CD2 4.2Å; L565-L635 HydrophobicContact CD2-CG 4.39Å; L586-L635 HydrophobicContact CD1-CD1 3.87Å; L631-L635 PolarHBondContact O-N 3.1Å; C632-L635 PolarHBondContact O-N 3.07Å; L635-V637 PolarHBondContact O-N 2.98Å; L635-Y638 PolarHBondContact O-N 3.07Å; L635-L639 HydrophobicContact CD1-CD1 3.89Å; L635-L639 HydrophobicContact CD1-CG 4.02Å; L635-L639 HydrophobicContact CG-CD1 3.95Å; L635-L639 HydrophobicContact CG-CG 4.45Å; L635-L639 WeakPolarHBondContact O-CG 3.18Å; L635-L639 PolarHBondContact O-N 3.48Å
636	D	91.8	Very high	86.1	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.2	-50.6	175	-77.6	-12.1	0	0	0	111.3	I518 S519 R560 C632 V633 C634 Y638 L639 E640 K658	I518-D636 PolarHBondContact N-OD2 3.23Å; S519-D636 WeakPolarHBondContact CB-OD1 2.88Å; S519-D636 PolarHBondContact N-OD1 3.07Å; S519-D636 PolarHBondContact OG-OD1 3.49Å; R560-D636 WeakPolarHBondContact CD-OD1 3.39Å; R560-D636 IonicContact CZ-OD1 2.8Å; R560-D636 VanDerWaalsContact NH1-CA 3.26Å; R560-D636 IonicContact NH1-OD1 3.88Å; R560-D636 PolarHBondContact NH1-OD1 2.81Å; C632-D636 PolarHBondContact O-N 3.35Å; V633-D636 WeakPolarHBondContact O-CB 3.45Å; V633-D636 PolarHBondContact O-N 2.99Å; C634-D636 VanDerWaalsContact C-N 3.35Å; D636-Y638 VanDerWaalsContact C-N 3.32Å; D636-Y638 PolarHBondContact O-N 3.3Å; D636-L639 PolarHBondContact O-N 2.84Å; D636-E640 WeakPolarHBondContact O-CB 3.24Å; D636-E640 WeakPolarHBondContact O-CG 3.49Å; D636-E640 PolarHBondContact O-N 3.01Å; D636-K658 IonicContact OD2-NZ 3.14Å; D636-K658 PolarHBondContact OD2-NZ 2.51Å; D636-K658 VanDerWaalsContact OD2-NZ 3.14Å
637	V	91.3	Very high	84.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-41.3	178.2	174.3	0	0	0	0	110.8	V633 C634 L635 L639 E640 T641 K658 P672 F673 F682	V633-V637 WeakPolarHBondContact O-CG2 3.35Å; V633-V637 PolarHBondContact O-N 3.21Å; C634-V637 PolarHBondContact O-N 3.26Å; L635-V637 PolarHBondContact O-N 2.98Å; V637-L639 PolarHBondContact O-N 3.32Å; V637-E640 PolarHBondContact O-N 2.96Å; V637-T641 HydrophobicContact CG1-CG2 4.02Å; V637-T641 WeakPolarHBondContact O-CB 3.47Å; V637-T641 WeakPolarHBondContact O-CG2 3.29Å; V637-T641 PolarHBondContact O-N 2.8Å; V637-T641 PolarHBondContact O-OG1 3.44Å; V637-K658 HydrophobicContact CG2-CG 4.29Å; V637-P672 HydrophobicContact CG1-CG 4.37Å; V637-P672 WeakPolarHBondContact CG1-O 3.14Å; V637-F673 HydrophobicContact CB-CD1 4.24Å; V637-F673 HydrophobicContact CB-CE1 4.39Å; V637-F673 HydrophobicContact CG1-CD1 4.04Å; V637-F673 HydrophobicContact CG1-CE1 4.17Å; V637-F682 HydrophobicContact CG2-CD1 3.66Å; V637-F682 HydrophobicContact CG2-CD2 4.24Å; V637-F682 HydrophobicContact CG2-CE1 3.58Å; V637-F682 HydrophobicContact CG2-CE2 4.18Å; V637-F682 HydrophobicContact CG2-CG 4Å; V637-F682 HydrophobicContact CG2-CZ 3.85Å
638	Y	91.1	Very high	82.6	Confident	18 Å²	18	34.9 Å²	34.9	7%	0.071	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-48.7	179.8	-179.6	-83.5	0	0	0	111.5	L586 D597 N599 L600 C634 L635 D636 E642 K671 F673	L586-Y638 HydrophobicContact CD2-CD1 3.97Å; L586-Y638 HydrophobicContact CD2-CE1 3.45Å; L586-Y638 VanDerWaalsContact CD2-CE1 3.45Å; D597-Y638 VanDerWaalsContact OD2-CE2 3.31Å; D597-Y638 WeakPolarHBondContact OD2-CE2 3.5Å; D597-Y638 PolarHBondContact OD2-OH 3.01Å; N599-Y638 HydrophobicContact CB-CD2 4.01Å; N599-Y638 HydrophobicContact CB-CE2 3.68Å; L600-Y638 HydrophobicContact CG-CE2 4.49Å; C634-Y638 VanDerWaalsContact O-CB 3.23Å; C634-Y638 WeakPolarHBondContact O-CB 3.24Å; C634-Y638 PolarHBondContact O-N 3.15Å; L635-Y638 PolarHBondContact O-N 3.07Å; D636-Y638 VanDerWaalsContact C-N 3.32Å; D636-Y638 PolarHBondContact O-N 3.3Å; Y638-E642 PolarHBondContact O-N 2.88Å; Y638-K671 HydrophobicContact CD2-CD 4.03Å; Y638-K671 PolarHBondContact O-NZ 2.95Å; Y638-F673 HydrophobicContact CD2-CZ 4.31Å
639	L	89.3	Confident	80.5	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-72.9	-38	-177.6	-65.5	172.2	0	0	0	112.2	R560 A563 W588 L635 D636 V637 F654	R560-L639 HydrophobicContact CB-CD1 4.06Å; R560-L639 HydrophobicContact CG-CD1 4.33Å; A563-L639 HydrophobicContact CB-CD1 3.75Å; A563-L639 HydrophobicContact CB-CD2 3.79Å; A563-L639 HydrophobicContact CB-CG 4.43Å; W588-L639 HydrophobicContact CD2-CD2 4.14Å; W588-L639 HydrophobicContact CE3-CD2 3.68Å; W588-L639 HydrophobicContact CH2-CD2 4.22Å; W588-L639 HydrophobicContact CZ3-CD2 3.69Å; L635-L639 HydrophobicContact CD1-CD1 3.89Å; L635-L639 HydrophobicContact CD1-CG 4.02Å; L635-L639 HydrophobicContact CG-CD1 3.95Å; L635-L639 HydrophobicContact CG-CG 4.45Å; L635-L639 WeakPolarHBondContact O-CG 3.18Å; L635-L639 PolarHBondContact O-N 3.48Å; D636-L639 PolarHBondContact O-N 2.84Å; V637-L639 PolarHBondContact O-N 3.32Å; L639-F654 HydrophobicContact CB-CB 4.14Å; L639-F654 HydrophobicContact CB-CD1 4.46Å; L639-F654 HydrophobicContact CB-CD2 3.76Å; L639-F654 HydrophobicContact CB-CE2 4.29Å; L639-F654 HydrophobicContact CB-CG 3.84Å; L639-F654 HydrophobicContact CD1-CD1 4.32Å; L639-F654 HydrophobicContact CD1-CD2 4.37Å; L639-F654 HydrophobicContact CD1-CE1 4.13Å; L639-F654 HydrophobicContact CD1-CE2 4.17Å; L639-F654 HydrophobicContact CD1-CG 4.43Å; L639-F654 HydrophobicContact CD1-CZ 4.05Å; L639-F654 HydrophobicContact CD2-CD2 4.1Å; L639-F654 HydrophobicContact CD2-CE2 3.84Å; L639-F654 HydrophobicContact CD2-CZ 4.42Å; L639-F654 HydrophobicContact CG-CD2 4.28Å; L639-F654 HydrophobicContact CG-CE2 4.31Å
640	E	88.6	Confident	78.7	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-74.2	-31.8	-178.4	-70.6	179.9	-151.2	0	0	113.9	R560 D636 V637 P655 R656 E657 K658	R560-E640 IonicContact CZ-OE1 3.38Å; R560-E640 IonicContact NH1-OE1 3.57Å; R560-E640 PolarHBondContact NH1-OE1 2.85Å; R560-E640 IonicContact NH2-OE1 3.03Å; R560-E640 PolarHBondContact NH2-OE1 3.45Å; D636-E640 WeakPolarHBondContact O-CB 3.24Å; D636-E640 WeakPolarHBondContact O-CG 3.49Å; D636-E640 PolarHBondContact O-N 3.01Å; V637-E640 PolarHBondContact O-N 2.96Å; E640-P655 VanDerWaalsContact CD-O 3.24Å; E640-P655 VanDerWaalsContact CG-O 3.24Å; E640-P655 WeakPolarHBondContact CG-O 3.22Å; E640-R656 HydrophobicContact CB-CG 4.26Å; E640-R656 WeakPolarHBondContact O-CG 3.34Å; E640-R656 PolarHBondContact O-NE 3Å; E640-E657 PolarHBondContact OE2-N 3.47Å; E640-K658 WeakPolarHBondContact OE2-CG 3.46Å; E640-K658 PolarHBondContact OE2-N 3.49Å
641	T	85.5	Confident	77.2	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.031	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.8	-178.7	61.2	0	0	0	0	113.2	V637 K671	V637-T641 HydrophobicContact CG1-CG2 4.02Å; V637-T641 WeakPolarHBondContact O-CB 3.47Å; V637-T641 WeakPolarHBondContact O-CG2 3.29Å; V637-T641 PolarHBondContact O-N 2.8Å; V637-T641 PolarHBondContact O-OG1 3.44Å; T641-K671 VanDerWaalsContact OG1-CD 3.27Å; T641-K671 WeakPolarHBondContact OG1-CD 3.19Å
642	E	83.5	Confident	75.9	Confident	50 Å²	50	57.2 Å²	57.2	23%	0.234	32%	0.318	C	S	.	.	S	Bend	trans	-60.5	142.3	172.9	-154.2	-175.2	-128.1	0	0	110.9	W588 K589 Y638	W588-E642 WeakPolarHBondContact CH2-OE2 3.43Å; W588-E642 WeakPolarHBondContact CZ3-OE1 3.29Å; W588-E642 WeakPolarHBondContact CZ3-OE2 3.39Å; K589-E642 IonicContact NZ-OE2 2.99Å; K589-E642 PolarHBondContact NZ-OE2 3.22Å; Y638-E642 PolarHBondContact O-N 2.88Å
643	V	72.4	Confident	75	Confident	92 Å²	92	61.7 Å²	61.7	56%	0.558	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-80.4	123.3	177.7	-175.9	0	0	0	0	107.1
644	Q	65	Low	74.6	Confident	63 Å²	63	62.2 Å²	62.2	29%	0.294	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-75.5	145.5	175.8	-166.1	170.1	1.1	0	0	109.1	D646	Q644-D646 PolarHBondContact O-N 3.01Å
645	D	59.2	Low	73.9	Confident	121 Å²	121	65.3 Å²	65.3	65%	0.647	36%	0.361	S	S	*	.			trans	-74.1	114.7	165.5	-136.9	-11.5	0	0	0	106.9	S647 V648	D645-S647 PolarHBondContact O-N 3.15Å; D645-V648 PolarHBondContact O-N 2.78Å
646	D	55.8	Low	73.3	Confident	163 Å²	163	70.6 Å²	70.6	87%	0.872	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-1.1	-174.8	-73.7	-31.3	0	0	0	112.9	Q644	Q644-D646 PolarHBondContact O-N 3.01Å
647	S	56.5	Low	72.7	Confident	95 Å²	95	74.9 Å²	74.9	66%	0.664	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-7	178.4	60.9	0	0	0	0	115.2	D645	D645-S647 PolarHBondContact O-N 3.15Å
648	V	57.7	Low	72.2	Confident	96 Å²	96	76 Å²	76	58%	0.582	41%	0.405	S	S	*	.			trans	-107.6	100	-178.7	-171.3	0	0	0	0	110.1	D645 G650	D645-V648 PolarHBondContact O-N 2.78Å; V648-G650 PolarHBondContact O-N 3.33Å
649	E	49.1	Very low	71.8	Confident	203 Å²	203	81.9 Å²	81.9	95%	0.949	44%	0.435	S	S	*	.			trans	-70.5	107.1	173.2	-76.8	-176.2	160.9	0	0	110.6
650	G	56.4	Low	71.6	Confident	42 Å²	42	83.3 Å²	83.3	43%	0.433	45%	0.446	S	S	.	.	S	Bend	trans	178.4	158.2	175.4	0	0	0	0	0	112.2	V648 R652	V648-G650 PolarHBondContact O-N 3.33Å; G650-R652 PolarHBondContact O-N 3.43Å
651	P	60.5	Low	71	Confident	133 Å²	133	89.4 Å²	89.4	86%	0.864	48%	0.478	S	S	*	.			trans	-58.9	139.8	172.7	25.4	-32	0	0	0	109.8	E653	P651-E653 PolarHBondContact O-N 3.17Å
652	R	68.7	Low	70.8	Confident	106 Å²	106	97.6 Å²	97.6	40%	0.4	51%	0.508	S	S	.	.			trans	-55.4	129.4	176.6	-75.8	-175.6	178.9	172.3	5.1	110	G650 F654 R656	G650-R652 PolarHBondContact O-N 3.43Å; R652-F654 PolarHBondContact O-N 3.12Å; R652-R656 VanDerWaalsContact NH1-CD 3.25Å
653	E	75.6	Confident	70.7	Confident	93 Å²	93	97.7 Å²	97.7	44%	0.435	51%	0.512	S	S	.	.	S	Bend	trans	-53.5	-36.4	171.3	-168.5	-174.7	172.2	0	0	110.7	T562 W588 P651	T562-E653 VanDerWaalsContact CB-OE1 3.29Å; T562-E653 WeakPolarHBondContact CB-OE1 3.34Å; T562-E653 VanDerWaalsContact CG2-OE1 3.29Å; T562-E653 WeakPolarHBondContact CG2-OE1 3.38Å; T562-E653 PolarHBondContact N-OE1 3.32Å; T562-E653 PolarHBondContact OG1-OE1 2.89Å; W588-E653 PolarHBondContact NE1-OE2 2.9Å; W588-E653 VanDerWaalsContact NE1-OE2 3.14Å; P651-E653 PolarHBondContact O-N 3.17Å
654	F	82.9	Confident	71.3	Confident	12 Å²	12	95.7 Å²	95.7	5%	0.053	50%	0.5	C	S	.	.	S	Bend	trans	-122.5	103.6	176.9	-54	-61.2	0	0	0	111.3	R560 A563 W588 L639 R652	R560-F654 HydrophobicContact CB-CE1 4.48Å; R560-F654 HydrophobicContact CG-CD1 4.09Å; R560-F654 HydrophobicContact CG-CE1 3.88Å; R560-F654 VanDerWaalsContact O-CE1 3.22Å; R560-F654 WeakPolarHBondContact O-CE1 3.34Å; R560-F654 WeakPolarHBondContact O-CZ 3.44Å; A563-F654 HydrophobicContact CB-CE2 4.48Å; A563-F654 HydrophobicContact CB-CZ 4.03Å; W588-F654 HydrophobicContact CD2-CE2 4.38Å; W588-F654 AromaticContact CE2-CE2 3.62Å; W588-F654 HydrophobicContact CH2-CD2 4.08Å; W588-F654 AromaticContact CH2-CE2 3.96Å; W588-F654 HydrophobicContact CH2-CE2 3.96Å; W588-F654 AromaticContact CZ2-CD2 3.88Å; W588-F654 HydrophobicContact CZ2-CD2 3.88Å; W588-F654 AromaticContact CZ2-CE2 3.41Å; W588-F654 HydrophobicContact CZ2-CE2 3.41Å; W588-F654 VanDerWaalsContact CZ2-CE2 3.41Å; W588-F654 AromaticContact NE1-CE2 3.85Å; L639-F654 HydrophobicContact CB-CB 4.14Å; L639-F654 HydrophobicContact CB-CD1 4.46Å; L639-F654 HydrophobicContact CB-CD2 3.76Å; L639-F654 HydrophobicContact CB-CE2 4.29Å; L639-F654 HydrophobicContact CB-CG 3.84Å; L639-F654 HydrophobicContact CD1-CD1 4.32Å; L639-F654 HydrophobicContact CD1-CD2 4.37Å; L639-F654 HydrophobicContact CD1-CE1 4.13Å; L639-F654 HydrophobicContact CD1-CE2 4.17Å; L639-F654 HydrophobicContact CD1-CG 4.43Å; L639-F654 HydrophobicContact CD1-CZ 4.05Å; L639-F654 HydrophobicContact CD2-CD2 4.1Å; L639-F654 HydrophobicContact CD2-CE2 3.84Å; L639-F654 HydrophobicContact CD2-CZ 4.42Å; L639-F654 HydrophobicContact CG-CD2 4.28Å; L639-F654 HydrophobicContact CG-CE2 4.31Å; R652-F654 PolarHBondContact O-N 3.12Å
655	P	78.9	Confident	72.4	Confident	65 Å²	65	99.5 Å²	99.5	42%	0.422	51%	0.512	S	S	.	.			trans	-70.4	142.6	178.7	27.2	-33.4	0	0	0	111.6	E640 E657	E640-P655 VanDerWaalsContact CD-O 3.24Å; E640-P655 VanDerWaalsContact CG-O 3.24Å; E640-P655 WeakPolarHBondContact CG-O 3.22Å; P655-E657 PolarHBondContact O-N 2.61Å; P655-E657 VanDerWaalsContact O-N 3.16Å
656	R	79.1	Confident	73.7	Confident	116 Å²	116	96.2 Å²	96.2	44%	0.438	51%	0.506	S	S	.	.			trans	-75.3	100.1	176.5	-74.4	-174.2	-177.6	169.1	4.2	110.3	E640 R652	E640-R656 HydrophobicContact CB-CG 4.26Å; E640-R656 WeakPolarHBondContact O-CG 3.34Å; E640-R656 PolarHBondContact O-NE 3Å; R652-R656 VanDerWaalsContact NH1-CD 3.25Å
657	E	79.3	Confident	75	Confident	89 Å²	89	94.7 Å²	94.7	42%	0.416	51%	0.505	S	S	.	.			trans	-104.4	-27.5	175.2	-63.4	-168.3	173	0	0	111.8	K516 I518 E640 P655	K516-E657 WeakPolarHBondContact CD-OE2 3.39Å; K516-E657 VanDerWaalsContact CE-OE2 3.26Å; K516-E657 WeakPolarHBondContact CE-OE2 3.43Å; K516-E657 IonicContact NZ-OE1 2.89Å; K516-E657 PolarHBondContact NZ-OE1 3.45Å; K516-E657 IonicContact NZ-OE2 2.71Å; K516-E657 PolarHBondContact NZ-OE2 3.05Å; I518-E657 HydrophobicContact CD1-CG 4.43Å; I518-E657 WeakPolarHBondContact CD1-OE2 3.49Å; E640-E657 PolarHBondContact OE2-N 3.47Å; P655-E657 PolarHBondContact O-N 2.61Å; P655-E657 VanDerWaalsContact O-N 3.16Å
658	K	82.1	Confident	76.3	Confident	24 Å²	24	94.3 Å²	94.3	10%	0.104	50%	0.496	C	S	.	.	S	Bend	trans	-80.8	128.7	179.7	-50.8	-56.4	174.4	160.5	0	111.7	K516 D636 V637 E640 C660 F682	K516-K658 PolarHBondContact O-NZ 3.34Å; D636-K658 IonicContact OD2-NZ 3.14Å; D636-K658 PolarHBondContact OD2-NZ 2.51Å; D636-K658 VanDerWaalsContact OD2-NZ 3.14Å; V637-K658 HydrophobicContact CG2-CG 4.29Å; E640-K658 WeakPolarHBondContact OE2-CG 3.46Å; E640-K658 PolarHBondContact OE2-N 3.49Å; K658-C660 PolarHBondContact O-N 3.38Å; K658-F682 HydrophobicContact CB-CD2 3.83Å; K658-F682 HydrophobicContact CB-CE2 3.8Å; K658-F682 HydrophobicContact CD-CE2 3.96Å; K658-F682 HydrophobicContact CG-CD2 4.47Å; K658-F682 HydrophobicContact CG-CE2 3.99Å
659	M	82.4	Confident	77.7	Confident	141 Å²	141	97 Å²	97	70%	0.695	50%	0.496	S	S	*	.			trans	-72.4	109.5	175.4	-69.1	-68.4	-96.1	0	0	110.7	F681 F682	M659-F681 HydrophobicContact CB-CB 4.14Å; M659-F681 CarbonylContact O-C 3.55Å; M659-F681 WeakPolarHBondContact O-CA 3.23Å; M659-F681 WeakPolarHBondContact O-CB 3.35Å; M659-F682 PolarHBondContact O-N 2.89Å
660	C	83.8	Confident	79.6	Confident	37 Å²	37	90.5 Å²	90.5	25%	0.25	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-117.6	126.4	178	-59.4	0	0	0	0	109.9	K658 R662 P672	K658-C660 PolarHBondContact O-N 3.38Å; C660-R662 VanDerWaalsContact C-N 3.34Å; C660-R662 PolarHBondContact O-N 2.99Å; C660-P672 HydrophobicContact CB-CG 3.95Å
661	L	76.9	Confident	81.2	Confident	132 Å²	132	89.3 Å²	89.3	69%	0.691	45%	0.45	S	S	*	.	S	Bend	trans	-65.8	-36.2	-178.5	-67.5	177.2	0	0	0	113.1	F681 F682	L661-F681 HydrophobicContact CD1-CD2 3.74Å; L661-F681 HydrophobicContact CD1-CE2 3.32Å; L661-F681 HydrophobicContact CD1-CZ 4.15Å; L661-F681 HydrophobicContact CD2-CD2 4.32Å; L661-F681 HydrophobicContact CG-CD2 3.65Å; L661-F681 HydrophobicContact CG-CE2 3.82Å; L661-F682 PolarHBondContact N-O 3.03Å
662	R	80.9	Confident	82.7	Confident	176 Å²	176	83 Å²	83	66%	0.664	41%	0.409	S	S	*	.			trans	-145.3	146.9	175.8	-67.8	-175.6	-177.9	177.8	0.1	107.7	C660 P672 H684	C660-R662 VanDerWaalsContact C-N 3.34Å; C660-R662 PolarHBondContact O-N 2.99Å; R662-P672 WeakPolarHBondContact O-CG 3.38Å; R662-H684 PolarHBondContact O-CE1 3.03Å
663	T	81.5	Confident	83.8	Confident	52 Å²	52	78.2 Å²	78.2	32%	0.319	39%	0.391	S	S	.	.	S	Bend	trans	-85.4	-30.1	-178.1	47.9	0	0	0	0	113.7	P672	T663-P672 WeakPolarHBondContact O-CD 3.43Å
664	V	86.1	Confident	84.5	Confident	51 Å²	51	77 Å²	77	31%	0.309	38%	0.384	S	S	.	.			trans	-141.8	149.1	178.1	-67	0	0	0	0	111.6	R669 L670	V664-R669 HydrophobicContact CB-CB 4.27Å; V664-R669 HydrophobicContact CG1-CB 4.29Å; V664-R669 WeakPolarHBondContact CG1-O 3.4Å; V664-L670 CarbonylContact C-O 3.3Å; V664-L670 WeakPolarHBondContact CA-O 3.24Å
665	R	86.4	Confident	84.8	Confident	143 Å²	143	78 Å²	78	54%	0.54	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-145.5	145.8	174.3	-171.7	-176.4	-179	-166.3	2.3	111.9	L670 H684	R665-L670 PolarHBondContact N-O 2.98Å; R665-L670 PolarHBondContact O-N 3.26Å; R665-H684 HydrophobicContact CB-CB 4.32Å; R665-H684 VanDerWaalsContact CB-CD2 3.43Å; R665-H684 WeakPolarHBondContact CB-CD2 3.33Å; R665-H684 PolarHBondContact N-NE2 2.8Å
666	G	86.9	Confident	85.3	Confident	52 Å²	52	76.7 Å²	76.7	54%	0.536	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	176.6	171.7	0	0	0	0	0	114.7	N668 R669	G666-N668 VanDerWaalsContact C-N 3.3Å; G666-N668 PolarHBondContact O-N 3.29Å; G666-R669 PolarHBondContact O-N 2.94Å; G666-R669 VanDerWaalsContact O-N 3.11Å
667	P	82.9	Confident	85.1	Confident	130 Å²	130	75.6 Å²	75.6	84%	0.844	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-37.6	-177.3	-23.4	34.1	0	0	0	113.3	R669	P667-R669 PolarHBondContact O-N 3.14Å
668	N	84	Confident	85	Confident	88 Å²	88	77.4 Å²	77.4	47%	0.471	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	6.7	-179.5	-60.8	30.9	0	0	0	112.8	D598 G666 L670	D598-N668 HydrophobicContact CB-CB 4.42Å; D598-N668 WeakPolarHBondContact OD2-CB 3.33Å; D598-N668 VanDerWaalsContact OD2-CG 3.31Å; D598-N668 PolarHBondContact OD2-ND2 2.91Å; G666-N668 VanDerWaalsContact C-N 3.3Å; G666-N668 PolarHBondContact O-N 3.29Å; N668-L670 VanDerWaalsContact C-N 3.26Å; N668-L670 HydrophobicContact CB-CD2 4.31Å; N668-L670 HydrophobicContact CB-CG 4.18Å; N668-L670 PolarHBondContact O-N 3.17Å
669	R	86.8	Confident	85.1	Confident	153 Å²	153	83.6 Å²	83.6	58%	0.577	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	44.4	179.2	-56.8	-179.9	66.4	-165.9	0.4	113.1	V664 G666 P667	V664-R669 HydrophobicContact CB-CB 4.27Å; V664-R669 HydrophobicContact CG1-CB 4.29Å; V664-R669 WeakPolarHBondContact CG1-O 3.4Å; G666-R669 PolarHBondContact O-N 2.94Å; G666-R669 VanDerWaalsContact O-N 3.11Å; P667-R669 PolarHBondContact O-N 3.14Å
670	L	89.5	Confident	85.3	Confident	66 Å²	66	78.5 Å²	78.5	35%	0.346	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-64.8	142.9	-176.6	-66.6	176.5	0	0	0	111.3	D598 N599 A602 V664 R665 N668 H684	D598-L670 HydrophobicContact CB-CD2 4.34Å; N599-L670 WeakPolarHBondContact OD1-CA 3.47Å; A602-L670 HydrophobicContact CB-CD2 4.01Å; V664-L670 CarbonylContact C-O 3.3Å; V664-L670 WeakPolarHBondContact CA-O 3.24Å; R665-L670 PolarHBondContact N-O 2.98Å; R665-L670 PolarHBondContact O-N 3.26Å; N668-L670 VanDerWaalsContact C-N 3.26Å; N668-L670 HydrophobicContact CB-CD2 4.31Å; N668-L670 HydrophobicContact CB-CG 4.18Å; N668-L670 PolarHBondContact O-N 3.17Å; L670-H684 PolarHBondContact O-CD2 2.82Å; L670-H684 PolarHBondContact O-NE2 2.61Å
671	K	91	Very high	85.5	Confident	17 Å²	17	78.4 Å²	78.4	7%	0.074	41%	0.405	C	S	.	.			trans	-82.3	159.7	175.4	-70	169.9	177.5	-179.2	0	112.6	N599 Y638 T641 F673	N599-K671 HydrophobicContact CB-CD 4.38Å; N599-K671 WeakPolarHBondContact OD1-CG 3.44Å; N599-K671 PolarHBondContact OD1-N 3.29Å; Y638-K671 HydrophobicContact CD2-CD 4.03Å; Y638-K671 PolarHBondContact O-NZ 2.95Å; T641-K671 VanDerWaalsContact OG1-CD 3.27Å; T641-K671 WeakPolarHBondContact OG1-CD 3.19Å; K671-F673 HydrophobicContact CB-CE1 4.1Å; K671-F673 HydrophobicContact CB-CE2 3.93Å; K671-F673 HydrophobicContact CB-CZ 3.65Å; K671-F673 HydrophobicContact CD-CZ 4.2Å; K671-F673 PolarHBondContact O-N 3.43Å
672	P	90.9	Very high	86.2	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.373	C	S	.	.			trans	-84.6	87.2	-176.4	34	-37.8	0	0	0	113.1	V637 C660 R662 T663 F682 S683	V637-P672 HydrophobicContact CG1-CG 4.37Å; V637-P672 WeakPolarHBondContact CG1-O 3.14Å; C660-P672 HydrophobicContact CB-CG 3.95Å; R662-P672 WeakPolarHBondContact O-CG 3.38Å; T663-P672 WeakPolarHBondContact O-CD 3.43Å; P672-F682 HydrophobicContact CB-CB 4.34Å; P672-F682 WeakPolarHBondContact O-CB 3.35Å; P672-S683 CarbonylContact C-O 3.58Å; P672-S683 VanDerWaalsContact C-O 3.3Å; P672-S683 WeakPolarHBondContact CA-O 3.39Å; P672-S683 VanDerWaalsContact CB-C 3.44Å
673	F	91.1	Very high	86.6	Confident	5 Å²	5	65 Å²	65	2%	0.022	35%	0.348	C	S	.	.			trans	-87.4	-13	-177.2	-61.6	-59.2	0	0	0	115.7	N599 A602 V603 E606 C634 V637 Y638 K671 Y675 S683	N599-F673 HydrophobicContact CB-CZ 4.4Å; A602-F673 HydrophobicContact CB-CD2 4.07Å; A602-F673 HydrophobicContact CB-CE2 3.9Å; V603-F673 HydrophobicContact CG2-CD1 4.11Å; V603-F673 HydrophobicContact CG2-CD2 4.22Å; V603-F673 HydrophobicContact CG2-CE1 3.63Å; V603-F673 HydrophobicContact CG2-CE2 3.75Å; V603-F673 HydrophobicContact CG2-CG 4.39Å; V603-F673 HydrophobicContact CG2-CZ 3.43Å; V603-F673 VanDerWaalsContact CG2-CZ 3.43Å; E606-F673 HydrophobicContact CG-CB 3.75Å; C634-F673 HydrophobicContact CB-CD1 4.15Å; V637-F673 HydrophobicContact CB-CD1 4.24Å; V637-F673 HydrophobicContact CB-CE1 4.39Å; V637-F673 HydrophobicContact CG1-CD1 4.04Å; V637-F673 HydrophobicContact CG1-CE1 4.17Å; Y638-F673 HydrophobicContact CD2-CZ 4.31Å; K671-F673 HydrophobicContact CB-CE1 4.1Å; K671-F673 HydrophobicContact CB-CE2 3.93Å; K671-F673 HydrophobicContact CB-CZ 3.65Å; K671-F673 HydrophobicContact CD-CZ 4.2Å; K671-F673 PolarHBondContact O-N 3.43Å; F673-Y675 PolarHBondContact O-N 3.03Å; F673-S683 PolarHBondContact N-O 2.92Å
674	K	90.7	Very high	87	Confident	68 Å²	68	63.7 Å²	63.7	30%	0.296	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	118.7	-177.4	-177.4	-176.3	179.8	178.8	0	111.7	F682 S683 R685	K674-F682 WeakPolarHBondContact O-CA 3.39Å; K674-S683 WeakPolarHBondContact CB-O 3.34Å; K674-S683 PolarHBondContact N-O 3.24Å; K674-S683 PolarHBondContact O-N 2.9Å; K674-S683 PolarHBondContact O-OG 3.16Å; K674-R685 HydrophobicContact CB-CG 4.38Å
675	Y	90.6	Very high	86.8	Confident	32 Å²	32	66.8 Å²	66.8	13%	0.125	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.5	175.7	-179.7	-114.2	0	0	0	112.4	L512 F513 P514 F673 H677 F682	L512-Y675 WeakPolarHBondContact O-CD1 3.3Å; F513-Y675 WeakPolarHBondContact O-CE1 3.31Å; P514-Y675 HydrophobicContact CB-CE2 3.95Å; F673-Y675 PolarHBondContact O-N 3.03Å; Y675-H677 HydrophobicContact CE1-CB 4.01Å; Y675-H677 AromaticContact CE1-ND1 3.81Å; Y675-F682 HydrophobicContact CD2-CD2 4.42Å; Y675-F682 HydrophobicContact CD2-CE1 4.09Å; Y675-F682 AromaticContact CD2-CE2 3.91Å; Y675-F682 HydrophobicContact CD2-CE2 3.91Å; Y675-F682 AromaticContact CD2-CZ 3.73Å; Y675-F682 HydrophobicContact CD2-CZ 3.73Å; Y675-F682 HydrophobicContact CE2-CE2 4.46Å; Y675-F682 HydrophobicContact CG-CE1 4.39Å; Y675-F682 HydrophobicContact CG-CZ 4.35Å
676	N	88.3	Confident	86.8	Confident	38 Å²	38	63 Å²	63	20%	0.203	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	111	178.2	-61.9	-57.3	0	0	0	111.6	G680 F681 S683	N676-G680 PolarHBondContact O-N 3.2Å; N676-F681 HydrophobicContact CB-CD1 4.39Å; N676-F681 HydrophobicContact CB-CE1 3.95Å; N676-F681 HydrophobicContact CB-CZ 4.14Å; N676-F681 PolarHBondContact N-O 3.45Å; N676-F681 VanDerWaalsContact ND2-CE2 3.31Å; N676-F681 WeakPolarHBondContact ND2-CE2 3.48Å; N676-F681 VanDerWaalsContact ND2-CZ 3.3Å; N676-F681 WeakPolarHBondContact ND2-CZ 3.37Å; N676-S683 PolarHBondContact ND2-OG 2.71Å
677	H	74.4	Confident	86.8	Confident	93 Å²	93	63.5 Å²	63.5	43%	0.431	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.3	-165.7	-174.5	61.9	0	0	0	118.5	H511 Y675	H511-H677 WeakPolarHBondContact CA-CE1 3.32Å; H511-H677 WeakPolarHBondContact CA-NE2 3.41Å; H511-H677 WeakPolarHBondContact CB-CD2 3.39Å; H511-H677 WeakPolarHBondContact CB-NE2 3.49Å; H511-H677 WeakPolarHBondContact O-CB 3.16Å; H511-H677 PolarHBondContact O-ND1 2.81Å; Y675-H677 HydrophobicContact CE1-CB 4.01Å; Y675-H677 AromaticContact CE1-ND1 3.81Å
678	P	78.8	Confident	87	Confident	127 Å²	127	59.8 Å²	59.8	83%	0.825	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-30.1	172.6	-18.4	32.4	0	0	0	113.3
679	Q	83.3	Confident	87.2	Confident	155 Å²	155	58.2 Å²	58.2	72%	0.724	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-11.3	-169.1	-66.3	179.5	1.7	0	0	113.3	F681	Q679-F681 HydrophobicContact CB-CD1 3.56Å; Q679-F681 HydrophobicContact CB-CE1 3.63Å; Q679-F681 HydrophobicContact CG-CE1 4.41Å
680	G	85.9	Confident	87.2	Confident	34 Å²	34	52.3 Å²	52.3	35%	0.351	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	30.4	169.6	0	0	0	0	0	115.6	N676	N676-G680 PolarHBondContact O-N 3.2Å
681	F	89.2	Confident	87.1	Confident	35 Å²	35	51.3 Å²	51.3	15%	0.154	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	163.2	179.9	75.1	-83.8	0	0	0	112.7	M659 L661 N676 Q679	M659-F681 HydrophobicContact CB-CB 4.14Å; M659-F681 CarbonylContact O-C 3.55Å; M659-F681 WeakPolarHBondContact O-CA 3.23Å; M659-F681 WeakPolarHBondContact O-CB 3.35Å; L661-F681 HydrophobicContact CD1-CD2 3.74Å; L661-F681 HydrophobicContact CD1-CE2 3.32Å; L661-F681 HydrophobicContact CD1-CZ 4.15Å; L661-F681 HydrophobicContact CD2-CD2 4.32Å; L661-F681 HydrophobicContact CG-CD2 3.65Å; L661-F681 HydrophobicContact CG-CE2 3.82Å; N676-F681 HydrophobicContact CB-CD1 4.39Å; N676-F681 HydrophobicContact CB-CE1 3.95Å; N676-F681 HydrophobicContact CB-CZ 4.14Å; N676-F681 PolarHBondContact N-O 3.45Å; N676-F681 VanDerWaalsContact ND2-CE2 3.31Å; N676-F681 WeakPolarHBondContact ND2-CE2 3.48Å; N676-F681 VanDerWaalsContact ND2-CZ 3.3Å; N676-F681 WeakPolarHBondContact ND2-CZ 3.37Å; Q679-F681 HydrophobicContact CB-CD1 3.56Å; Q679-F681 HydrophobicContact CB-CE1 3.63Å; Q679-F681 HydrophobicContact CG-CE1 4.41Å
682	F	90.3	Very high	86.8	Confident	3 Å²	3	53.8 Å²	53.8	1%	0.013	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.8	178	-72.2	-90.9	0	0	0	112	P514 V633 V637 K658 M659 L661 P672 K674 Y675	P514-F682 HydrophobicContact CG-CZ 4.2Å; V633-F682 HydrophobicContact CG1-CE1 3.55Å; V633-F682 HydrophobicContact CG1-CZ 3.49Å; V633-F682 VanDerWaalsContact CG1-CZ 3.49Å; V637-F682 HydrophobicContact CG2-CD1 3.66Å; V637-F682 HydrophobicContact CG2-CD2 4.24Å; V637-F682 HydrophobicContact CG2-CE1 3.58Å; V637-F682 HydrophobicContact CG2-CE2 4.18Å; V637-F682 HydrophobicContact CG2-CG 4Å; V637-F682 HydrophobicContact CG2-CZ 3.85Å; K658-F682 HydrophobicContact CB-CD2 3.83Å; K658-F682 HydrophobicContact CB-CE2 3.8Å; K658-F682 HydrophobicContact CD-CE2 3.96Å; K658-F682 HydrophobicContact CG-CD2 4.47Å; K658-F682 HydrophobicContact CG-CE2 3.99Å; M659-F682 PolarHBondContact O-N 2.89Å; L661-F682 PolarHBondContact N-O 3.03Å; P672-F682 HydrophobicContact CB-CB 4.34Å; P672-F682 WeakPolarHBondContact O-CB 3.35Å; K674-F682 WeakPolarHBondContact O-CA 3.39Å; Y675-F682 HydrophobicContact CD2-CD2 4.42Å; Y675-F682 HydrophobicContact CD2-CE1 4.09Å; Y675-F682 AromaticContact CD2-CE2 3.91Å; Y675-F682 HydrophobicContact CD2-CE2 3.91Å; Y675-F682 AromaticContact CD2-CZ 3.73Å; Y675-F682 HydrophobicContact CD2-CZ 3.73Å; Y675-F682 HydrophobicContact CE2-CE2 4.46Å; Y675-F682 HydrophobicContact CG-CE1 4.39Å; Y675-F682 HydrophobicContact CG-CZ 4.35Å
683	S	90.5	Very high	86.5	Confident	22 Å²	22	57.9 Å²	57.9	15%	0.154	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	157.9	179	57.9	0	0	0	0	111	P672 F673 K674 N676	P672-S683 CarbonylContact C-O 3.58Å; P672-S683 VanDerWaalsContact C-O 3.3Å; P672-S683 WeakPolarHBondContact CA-O 3.39Å; P672-S683 VanDerWaalsContact CB-C 3.44Å; F673-S683 PolarHBondContact N-O 2.92Å; K674-S683 WeakPolarHBondContact CB-O 3.34Å; K674-S683 PolarHBondContact N-O 3.24Å; K674-S683 PolarHBondContact O-N 2.9Å; K674-S683 PolarHBondContact O-OG 3.16Å; N676-S683 PolarHBondContact ND2-OG 2.71Å
684	H	88.8	Confident	86.1	Confident	25 Å²	25	62.3 Å²	62.3	12%	0.116	32%	0.319	C	S	.	.			trans	-71.8	149.1	167.7	-60.6	83.8	0	0	0	109.1	R662 R665 L670	R662-H684 PolarHBondContact O-CE1 3.03Å; R665-H684 HydrophobicContact CB-CB 4.32Å; R665-H684 VanDerWaalsContact CB-CD2 3.43Å; R665-H684 WeakPolarHBondContact CB-CD2 3.33Å; R665-H684 PolarHBondContact N-NE2 2.8Å; L670-H684 PolarHBondContact O-CD2 2.82Å; L670-H684 PolarHBondContact O-NE2 2.61Å
685	R	82.6	Confident	85.7	Confident	116 Å²	116	61.8 Å²	61.8	44%	0.438	32%	0.321	S	S	.	.			trans	-60.6	0	164.8	-74.4	-77.3	177.1	-173.1	-3.4	111	E606 E613 K674	E606-R685 WeakPolarHBondContact OE1-CD 3.34Å; E606-R685 WeakPolarHBondContact OE1-CG 3.26Å; E606-R685 IonicContact OE1-CZ 3.55Å; E606-R685 IonicContact OE1-NE 2.72Å; E606-R685 PolarHBondContact OE1-NE 2.96Å; E606-R685 IonicContact OE1-NH2 3.32Å; E606-R685 IonicContact OE2-CZ 3.51Å; E606-R685 IonicContact OE2-NE 2.79Å; E606-R685 PolarHBondContact OE2-NE 3.21Å; E606-R685 IonicContact OE2-NH2 2.83Å; E606-R685 PolarHBondContact OE2-NH2 3.5Å; E613-R685 IonicContact OE1-CZ 3.49Å; E613-R685 IonicContact OE1-NH1 2.82Å; E613-R685 PolarHBondContact OE1-NH1 2.72Å; E613-R685 IonicContact OE1-NH2 2.74Å; E613-R685 PolarHBondContact OE1-NH2 3.03Å; E613-R685 IonicContact OE2-CZ 2.71Å; E613-R685 IonicContact OE2-NH1 3.61Å; E613-R685 IonicContact OE2-NH2 3.82Å; E613-R685 PolarHBondContact OE2-NH2 2.89Å; K674-R685 HydrophobicContact CB-CG 4.38Å

Retrieved 685 of 685 residues in 118.7 ms (Link to these results)

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