A0A5K4F7N9_SCHMA Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A5K4F7N9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 580 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	31.5	Very low	35.4	Very low	236 Å²	236	151.1 Å²	151.1	100%	1.163	79%	0.793	S	S	*	*				0	106.5	0	-74.5	-79.7	-171	0	0	107.1
2	D	33.6	Very low	36.5	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	77%	0.769	S	S	*	*			trans	61.7	82.4	166.2	-58	-16.8	0	0	0	121.4
3	I	29	Very low	37.7	Very low	167 Å²	167	142.1 Å²	142.1	86%	0.856	75%	0.754	S	S	*	*			trans	-93.3	82.2	143.6	-60.6	170.1	0	0	0	107
4	F	30.4	Very low	38.7	Very low	180 Å²	180	141.5 Å²	141.5	79%	0.789	75%	0.745	S	S	*	*			trans	-157.4	91.1	167.6	-95.9	-74.6	0	0	0	110.5
5	S	33.9	Very low	39.9	Very low	115 Å²	115	137.4 Å²	137.4	80%	0.804	73%	0.728	S	S	*	*	S	Bend	trans	-178.2	89.3	143.9	-168.5	0	0	0	0	110.1
6	K	34.6	Very low	41.2	Very low	200 Å²	200	134.9 Å²	134.9	87%	0.87	71%	0.713	S	S	*	*	S	Bend	trans	-170	7.6	152.9	-105.8	165.1	-168.9	-174.9	0	115.3	K8	K6-K8 VanDerWaalsContact C-N 3.35Å; K6-K8 PolarHBondContact O-N 3.42Å
7	T	36.9	Very low	42.6	Very low	108 Å²	108	133.1 Å²	133.1	66%	0.663	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	8.2	176	31.7	0	0	0	0	115.4
8	K	34.7	Very low	43.5	Very low	192 Å²	192	128.7 Å²	128.7	84%	0.835	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-9.8	-177.6	-87.5	-175.2	177	179	0	116.6	K6	K6-K8 VanDerWaalsContact C-N 3.35Å; K6-K8 PolarHBondContact O-N 3.42Å
9	C	39.5	Very low	44.2	Very low	106 Å²	106	126.6 Å²	126.6	72%	0.716	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-23	174.2	-78.4	0	0	0	0	114.2
10	L	41.9	Very low	44.2	Very low	135 Å²	135	127.4 Å²	127.4	71%	0.707	67%	0.672	S	S	*	*	H	α-helix	trans	-82.4	-27.4	-178.7	-89.5	105	0	0	0	113.9	S12 H14	L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.41Å; L10-H14 PolarHBondContact O-N 3.06Å
11	S	43.5	Very low	44.5	Very low	78 Å²	78	124.6 Å²	124.6	55%	0.545	66%	0.663	S	S	.	*	H	α-helix	trans	-71.1	-28.7	-177.6	84.2	0	0	0	0	113.1	H14 T15	S11-H14 PolarHBondContact O-N 3.35Å; S11-T15 PolarHBondContact O-N 3.01Å; S11-T15 VanDerWaalsContact O-N 3.08Å; S11-T15 PolarHBondContact O-OG1 3.47Å
12	S	48.1	Very low	45.8	Very low	72 Å²	72	118 Å²	118	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-73.6	-31.1	-178.5	-139.8	0	0	0	0	112.9	L10 T15 I16	L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.41Å; S12-T15 WeakPolarHBondContact CA-OG1 3.22Å; S12-T15 PolarHBondContact O-OG1 3.18Å; S12-I16 WeakPolarHBondContact O-CG1 3.44Å
13	I	52.5	Low	46.6	Very low	113 Å²	113	115 Å²	115	58%	0.579	62%	0.618	S	S	*	*	H	α-helix	trans	-77.3	-37.5	175.8	-60.4	174.7	0	0	0	109.9	T15 I16 I17	I13-T15 PolarHBondContact O-N 2.84Å; I13-I16 PolarHBondContact O-N 2.98Å; I13-I17 HydrophobicContact CG2-CD1 3.91Å; I13-I17 WeakPolarHBondContact O-CG1 3.39Å; I13-I17 PolarHBondContact O-N 3.21Å
14	H	51.9	Low	47.5	Very low	134 Å²	134	111.8 Å²	111.8	62%	0.62	60%	0.602	S	S	*	*	H	α-helix	trans	-67.6	-33.9	179	-139.7	-84.8	0	0	0	112.7	L10 S11 T18	L10-H14 PolarHBondContact O-N 3.06Å; S11-H14 PolarHBondContact O-N 3.35Å; H14-T18 WeakPolarHBondContact O-CB 3.37Å; H14-T18 VanDerWaalsContact O-CG2 3.27Å; H14-T18 WeakPolarHBondContact O-CG2 3.28Å; H14-T18 PolarHBondContact O-N 2.99Å; H14-T18 VanDerWaalsContact O-N 3.08Å; H14-T18 PolarHBondContact O-OG1 2.62Å
15	T	56.8	Low	48.5	Very low	80 Å²	80	109.6 Å²	109.6	49%	0.491	60%	0.598	S	S	.	*	H	α-helix	trans	-68.9	-38.2	176.8	20.8	0	0	0	0	112.4	S11 S12 I13 T18 T19	S11-T15 PolarHBondContact O-N 3.01Å; S11-T15 VanDerWaalsContact O-N 3.08Å; S11-T15 PolarHBondContact O-OG1 3.47Å; S12-T15 WeakPolarHBondContact CA-OG1 3.22Å; S12-T15 PolarHBondContact O-OG1 3.18Å; I13-T15 PolarHBondContact O-N 2.84Å; T15-T18 WeakPolarHBondContact CA-OG1 3.39Å; T15-T18 PolarHBondContact O-OG1 3.44Å; T15-T19 PolarHBondContact O-N 3.06Å; T15-T19 PolarHBondContact O-OG1 3.39Å
16	I	60	Low	49.5	Very low	97 Å²	97	110.4 Å²	110.4	50%	0.497	59%	0.592	S	S	.	*	H	α-helix	trans	-70.3	-38.6	179.4	-64.3	170.1	0	0	0	111.5	S12 I13 T19 K20	S12-I16 WeakPolarHBondContact O-CG1 3.44Å; I13-I16 PolarHBondContact O-N 2.98Å; I16-T19 PolarHBondContact O-OG1 3.5Å; I16-K20 WeakPolarHBondContact O-CG 3.28Å; I16-K20 PolarHBondContact O-N 3.02Å
17	I	64.5	Low	50.5	Low	105 Å²	105	106.5 Å²	106.5	54%	0.538	58%	0.579	S	S	.	*	H	α-helix	trans	-71.8	-41.4	179.6	-64	172	0	0	0	110.6	I13 K20 C21	I13-I17 HydrophobicContact CG2-CD1 3.91Å; I13-I17 WeakPolarHBondContact O-CG1 3.39Å; I13-I17 PolarHBondContact O-N 3.21Å; I17-K20 PolarHBondContact O-N 3.46Å; I17-C21 PolarHBondContact O-N 3.03Å
18	T	59.3	Low	50.7	Low	54 Å²	54	109.9 Å²	109.9	33%	0.331	58%	0.581	S	S	.	*	H	α-helix	trans	-69.1	-40.5	179.7	49.5	0	0	0	0	112.7	H14 T15 K20 C21 I22	H14-T18 WeakPolarHBondContact O-CB 3.37Å; H14-T18 VanDerWaalsContact O-CG2 3.27Å; H14-T18 WeakPolarHBondContact O-CG2 3.28Å; H14-T18 PolarHBondContact O-N 2.99Å; H14-T18 VanDerWaalsContact O-N 3.08Å; H14-T18 PolarHBondContact O-OG1 2.62Å; T15-T18 WeakPolarHBondContact CA-OG1 3.39Å; T15-T18 PolarHBondContact O-OG1 3.44Å; T18-K20 PolarHBondContact O-N 3.41Å; T18-C21 PolarHBondContact O-N 3.03Å; T18-I22 VanDerWaalsContact O-CG1 3.28Å; T18-I22 WeakPolarHBondContact O-CG1 3.47Å; T18-I22 PolarHBondContact O-N 3.4Å
19	T	57.4	Low	51	Low	89 Å²	89	103.6 Å²	103.6	55%	0.546	57%	0.571	S	S	.	*	H	α-helix	trans	-63.1	-43.6	174.9	26.8	0	0	0	0	111.6	T15 I16 C21 I22 T23	T15-T19 PolarHBondContact O-N 3.06Å; T15-T19 PolarHBondContact O-OG1 3.39Å; I16-T19 PolarHBondContact O-OG1 3.5Å; T19-C21 PolarHBondContact O-N 3.47Å; T19-I22 PolarHBondContact O-N 2.96Å; T19-T23 PolarHBondContact O-N 3.34Å; T19-T23 PolarHBondContact O-OG1 3.27Å
20	K	44.3	Very low	51	Low	141 Å²	141	106.8 Å²	106.8	61%	0.613	58%	0.58	S	S	*	*	H	α-helix	trans	-62.7	-41.5	177.3	-76.2	-172.6	175.5	-174.2	0	112.8	I16 I17 T18 T23 L24	I16-K20 WeakPolarHBondContact O-CG 3.28Å; I16-K20 PolarHBondContact O-N 3.02Å; I17-K20 PolarHBondContact O-N 3.46Å; T18-K20 PolarHBondContact O-N 3.41Å; K20-T23 WeakPolarHBondContact CA-OG1 3.48Å; K20-T23 PolarHBondContact O-OG1 3.23Å; K20-L24 WeakPolarHBondContact O-CB 3.47Å; K20-L24 WeakPolarHBondContact O-CG 3.45Å; K20-L24 PolarHBondContact O-N 3.42Å
21	C	50.4	Low	50.9	Low	70 Å²	70	107.2 Å²	107.2	47%	0.473	58%	0.581	S	S	.	*	H	α-helix	trans	-65.6	-41.6	176.3	-89.3	0	0	0	0	112.6	I17 T18 T19 L24 L25	I17-C21 PolarHBondContact O-N 3.03Å; T18-C21 PolarHBondContact O-N 3.03Å; T19-C21 PolarHBondContact O-N 3.47Å; C21-L24 PolarHBondContact O-N 3.47Å; C21-L25 VanDerWaalsContact O-CG 3.28Å; C21-L25 WeakPolarHBondContact O-CG 3.44Å; C21-L25 PolarHBondContact O-N 3.26Å
22	I	57.7	Low	50.6	Low	98 Å²	98	110.2 Å²	110.2	50%	0.503	60%	0.597	S	S	.	*	H	α-helix	trans	-69.5	-41.1	-180	-65.8	166.9	0	0	0	110.7	T18 T19 L24 L25 I26	T18-I22 VanDerWaalsContact O-CG1 3.28Å; T18-I22 WeakPolarHBondContact O-CG1 3.47Å; T18-I22 PolarHBondContact O-N 3.4Å; T19-I22 PolarHBondContact O-N 2.96Å; I22-L24 VanDerWaalsContact C-N 3.31Å; I22-L24 PolarHBondContact O-N 3.08Å; I22-L25 PolarHBondContact O-N 3.14Å; I22-I26 HydrophobicContact CG2-CD1 3.92Å; I22-I26 HydrophobicContact CG2-CG1 4.49Å; I22-I26 WeakPolarHBondContact O-CG1 3.47Å; I22-I26 PolarHBondContact O-N 2.71Å
23	T	50.9	Low	50.2	Low	80 Å²	80	112.9 Å²	112.9	49%	0.491	60%	0.604	S	S	.	*	H	α-helix	trans	-62.8	-37.5	173.9	38.9	0	0	0	0	112.5	T19 K20 L25 I26 I27	T19-T23 PolarHBondContact O-N 3.34Å; T19-T23 PolarHBondContact O-OG1 3.27Å; K20-T23 WeakPolarHBondContact CA-OG1 3.48Å; K20-T23 PolarHBondContact O-OG1 3.23Å; T23-L25 VanDerWaalsContact C-N 3.34Å; T23-I26 PolarHBondContact O-N 3.07Å; T23-I27 WeakPolarHBondContact O-CD1 3.27Å; T23-I27 VanDerWaalsContact O-CG1 3.22Å; T23-I27 WeakPolarHBondContact O-CG1 3.44Å; T23-I27 PolarHBondContact O-N 2.71Å
24	L	47.9	Very low	49.5	Very low	100 Å²	100	113.8 Å²	113.8	52%	0.524	62%	0.615	S	S	.	*	H	α-helix	trans	-67.9	-34.7	175.9	-83	163.8	0	0	0	112.2	K20 C21 I22 Y28	K20-L24 WeakPolarHBondContact O-CB 3.47Å; K20-L24 WeakPolarHBondContact O-CG 3.45Å; K20-L24 PolarHBondContact O-N 3.42Å; C21-L24 PolarHBondContact O-N 3.47Å; I22-L24 VanDerWaalsContact C-N 3.31Å; I22-L24 PolarHBondContact O-N 3.08Å; L24-Y28 HydrophobicContact CD2-CE2 4.42Å; L24-Y28 WeakPolarHBondContact O-CD2 3.4Å; L24-Y28 PolarHBondContact O-N 3.23Å
25	L	51.2	Low	48.9	Very low	134 Å²	134	112.3 Å²	112.3	70%	0.702	62%	0.615	S	S	*	*	H	α-helix	trans	-74.2	-29.5	178.2	-71.7	169.5	0	0	0	113.2	C21 I22 T23	C21-L25 VanDerWaalsContact O-CG 3.28Å; C21-L25 WeakPolarHBondContact O-CG 3.44Å; C21-L25 PolarHBondContact O-N 3.26Å; I22-L25 PolarHBondContact O-N 3.14Å; T23-L25 VanDerWaalsContact C-N 3.34Å
26	I	55.1	Low	48	Very low	132 Å²	132	111.6 Å²	111.6	68%	0.677	61%	0.613	S	S	*	*	H	α-helix	trans	-75.2	-33.6	174.7	-64.7	169.1	0	0	0	111.2	I22 T23 Y28	I22-I26 HydrophobicContact CG2-CD1 3.92Å; I22-I26 HydrophobicContact CG2-CG1 4.49Å; I22-I26 WeakPolarHBondContact O-CG1 3.47Å; I22-I26 PolarHBondContact O-N 2.71Å; T23-I26 PolarHBondContact O-N 3.07Å; I26-Y28 VanDerWaalsContact C-N 3.28Å; I26-Y28 PolarHBondContact O-N 3.08Å
27	I	55.4	Low	47.4	Very low	119 Å²	119	111.7 Å²	111.7	61%	0.61	62%	0.62	S	S	*	*	H	α-helix	trans	-67.2	-30.9	178.5	-69.7	166.3	0	0	0	111.6	T23	T23-I27 WeakPolarHBondContact O-CD1 3.27Å; T23-I27 VanDerWaalsContact O-CG1 3.22Å; T23-I27 WeakPolarHBondContact O-CG1 3.44Å; T23-I27 PolarHBondContact O-N 2.71Å
28	Y	42.7	Very low	46.4	Very low	179 Å²	179	111.3 Å²	111.3	70%	0.702	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	64.1	179.9	-66.5	-73.8	0	0	0	111.7	L24 I26	L24-Y28 HydrophobicContact CD2-CE2 4.42Å; L24-Y28 WeakPolarHBondContact O-CD2 3.4Å; L24-Y28 PolarHBondContact O-N 3.23Å; I26-Y28 VanDerWaalsContact C-N 3.28Å; I26-Y28 PolarHBondContact O-N 3.08Å
29	G	40.1	Very low	45.8	Very low	60 Å²	60	113.4 Å²	113.4	62%	0.619	63%	0.631	S	S	*	*			trans	-56.2	145.8	166.1	0	0	0	0	0	112.2
30	L	39.2	Very low	45.4	Very low	173 Å²	173	114.2 Å²	114.2	91%	0.906	63%	0.631	S	S	*	*			trans	96.2	29.9	162.8	-60.5	167.4	0	0	0	120.7
31	I	40.7	Very low	45.4	Very low	144 Å²	144	111.4 Å²	111.4	74%	0.738	63%	0.626	S	S	*	*			trans	-132	87.3	160.6	-56.5	-180	0	0	0	111.3	I33	I31-I33 VanDerWaalsContact C-N 3.29Å; I31-I33 HydrophobicContact CG2-CD1 3.48Å; I31-I33 VanDerWaalsContact CG2-CD1 3.48Å; I31-I33 HydrophobicContact CG2-CG1 3.52Å; I31-I33 PolarHBondContact O-N 3.42Å
32	T	36.6	Very low	44.9	Very low	141 Å²	141	112.2 Å²	112.2	87%	0.865	63%	0.631	S	S	*	*			trans	-70.9	82.6	163.2	49.3	0	0	0	0	109.2	T34	T32-T34 PolarHBondContact O-N 3.47Å
33	I	39.1	Very low	44.1	Very low	128 Å²	128	113.4 Å²	113.4	66%	0.656	64%	0.635	S	S	*	*			trans	-82.6	108.8	164.8	-74.7	156.9	0	0	0	107.6	I31 V35	I31-I33 VanDerWaalsContact C-N 3.29Å; I31-I33 HydrophobicContact CG2-CD1 3.48Å; I31-I33 VanDerWaalsContact CG2-CD1 3.48Å; I31-I33 HydrophobicContact CG2-CG1 3.52Å; I31-I33 PolarHBondContact O-N 3.42Å; I33-V35 PolarHBondContact O-N 3.29Å
34	T	38.9	Very low	43.9	Very low	132 Å²	132	117.5 Å²	117.5	81%	0.81	65%	0.646	S	S	*	*			trans	-56.3	106	167.1	49.1	0	0	0	0	109.2	T32 S36	T32-T34 PolarHBondContact O-N 3.47Å; T34-S36 PolarHBondContact O-N 3.5Å
35	V	38.8	Very low	43.8	Very low	103 Å²	103	118.1 Å²	118.1	62%	0.624	65%	0.648	S	S	*	*			trans	-74.2	108.7	178.3	179.6	0	0	0	0	108.9	I33 I39	I33-V35 PolarHBondContact O-N 3.29Å; V35-I39 HydrophobicContact CG1-CB 4.37Å; V35-I39 HydrophobicContact CG1-CD1 4.38Å
36	S	37.6	Very low	43.6	Very low	64 Å²	64	114.9 Å²	114.9	45%	0.448	64%	0.637	S	S	.	*			trans	-65.5	146.5	171.3	175.2	0	0	0	0	111.2	T34 T38 I39	T34-S36 PolarHBondContact O-N 3.5Å; S36-T38 PolarHBondContact O-N 2.94Å; S36-I39 PolarHBondContact O-N 3.37Å
37	P	47.4	Very low	43.1	Very low	100 Å²	100	118.1 Å²	118.1	65%	0.649	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-10.3	-175.4	-20.4	31.1	0	0	0	115.6	I39 I40	P37-I39 VanDerWaalsContact C-N 3.25Å; P37-I39 PolarHBondContact O-N 3.34Å; P37-I40 PolarHBondContact O-N 3.16Å
38	T	43.3	Very low	42.6	Very low	96 Å²	96	114.4 Å²	114.4	59%	0.589	63%	0.632	S	S	*	*	H	α-helix	trans	-69.4	-18.8	-179.9	52.7	0	0	0	0	113.7	S36 T41	S36-T38 PolarHBondContact O-N 2.94Å; T38-T41 PolarHBondContact O-OG1 3.44Å
39	I	48.4	Very low	42.5	Very low	98 Å²	98	110.8 Å²	110.8	50%	0.503	62%	0.624	S	S	.	*	H	α-helix	trans	-82.3	-31.2	179.3	-63	177.8	0	0	0	111.7	V35 S36 P37 T41 C42 Q43	V35-I39 HydrophobicContact CG1-CB 4.37Å; V35-I39 HydrophobicContact CG1-CD1 4.38Å; S36-I39 PolarHBondContact O-N 3.37Å; P37-I39 VanDerWaalsContact C-N 3.25Å; P37-I39 PolarHBondContact O-N 3.34Å; I39-T41 VanDerWaalsContact C-N 3.3Å; I39-T41 PolarHBondContact O-N 2.95Å; I39-C42 PolarHBondContact O-N 3.49Å; I39-Q43 PolarHBondContact O-N 3.09Å
40	I	47.7	Very low	43	Very low	106 Å²	106	112.4 Å²	112.4	54%	0.544	62%	0.621	S	S	.	*	H	α-helix	trans	-67.3	-32.4	-179.5	-61.6	175.9	0	0	0	111.1	P37 Q43 K44	P37-I40 PolarHBondContact O-N 3.16Å; I40-Q43 PolarHBondContact O-N 2.94Å; I40-K44 PolarHBondContact O-N 3.26Å
41	T	44.5	Very low	43.5	Very low	83 Å²	83	110.2 Å²	110.2	51%	0.509	61%	0.606	S	S	.	*	H	α-helix	trans	-69.8	-36.6	175.3	48.9	0	0	0	0	112.2	T38 I39 Q43 K44 I45	T38-T41 PolarHBondContact O-OG1 3.44Å; I39-T41 VanDerWaalsContact C-N 3.3Å; I39-T41 PolarHBondContact O-N 2.95Å; T41-Q43 VanDerWaalsContact C-N 3.3Å; T41-Q43 PolarHBondContact O-N 3.42Å; T41-K44 PolarHBondContact O-N 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.43Å; T41-I45 PolarHBondContact O-N 3.23Å
42	C	39.3	Very low	43.7	Very low	87 Å²	87	106.8 Å²	106.8	59%	0.588	60%	0.595	S	S	*	*	H	α-helix	trans	-63.1	-34.5	174.1	-90.3	0	0	0	0	112.9	I39 I45 S46	I39-C42 PolarHBondContact O-N 3.49Å; C42-I45 PolarHBondContact O-N 3.09Å; C42-S46 PolarHBondContact O-N 3.39Å
43	Q	42.1	Very low	44.1	Very low	123 Å²	123	105 Å²	105	58%	0.575	58%	0.579	S	S	*	*	H	α-helix	trans	-71.2	-34.2	-179.6	-135.8	165.7	-12.8	0	0	112.5	I39 I40 T41 S46 W47	I39-Q43 PolarHBondContact O-N 3.09Å; I40-Q43 PolarHBondContact O-N 2.94Å; T41-Q43 VanDerWaalsContact C-N 3.3Å; T41-Q43 PolarHBondContact O-N 3.42Å; Q43-S46 PolarHBondContact O-N 3.36Å; Q43-W47 PolarHBondContact O-N 3.09Å; Q43-W47 VanDerWaalsContact O-N 3.12Å
44	K	45.2	Very low	44.4	Very low	166 Å²	166	103 Å²	103	72%	0.722	58%	0.576	S	S	*	*	H	α-helix	trans	-67.1	-37.6	172.3	-78.3	-174.8	176.7	-179.4	0	112.5	I40 T41 G48	I40-K44 PolarHBondContact O-N 3.26Å; T41-K44 PolarHBondContact O-N 3.27Å; K44-G48 PolarHBondContact O-N 3.39Å
45	I	46.2	Very low	44.5	Very low	112 Å²	112	103.3 Å²	103.3	57%	0.574	57%	0.569	S	S	*	*	H	α-helix	trans	-70.9	-36.1	178.4	-62.8	166.6	0	0	0	110.7	T41 C42 G48 L49	T41-I45 WeakPolarHBondContact O-CG1 3.43Å; T41-I45 PolarHBondContact O-N 3.23Å; C42-I45 PolarHBondContact O-N 3.09Å; I45-G48 PolarHBondContact O-N 3.43Å; I45-L49 HydrophobicContact CG2-CD1 4.24Å; I45-L49 PolarHBondContact O-N 3.47Å
46	S	46.5	Very low	44.5	Very low	66 Å²	66	103.6 Å²	103.6	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-66.1	-41.3	174.9	179.6	0	0	0	0	112.8	C42 Q43 G48 L49 V50	C42-S46 PolarHBondContact O-N 3.39Å; Q43-S46 PolarHBondContact O-N 3.36Å; S46-G48 PolarHBondContact O-N 2.96Å; S46-L49 PolarHBondContact O-N 3.1Å; S46-V50 WeakPolarHBondContact O-CG2 3.02Å; S46-V50 PolarHBondContact O-N 2.84Å; S46-V50 VanDerWaalsContact O-N 3.13Å
47	W	45.9	Very low	44.5	Very low	201 Å²	201	111 Å²	111	76%	0.761	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-36.1	176.1	-90.6	65.7	0	0	0	113.1	Q43 H51	Q43-W47 PolarHBondContact O-N 3.09Å; Q43-W47 VanDerWaalsContact O-N 3.12Å; W47-H51 PolarHBondContact O-N 3.33Å
48	G	45.2	Very low	44.1	Very low	41 Å²	41	114.9 Å²	114.9	42%	0.423	59%	0.594	S	S	.	*	H	α-helix	trans	-65.6	-38.3	174.6	0	0	0	0	0	113.3	K44 I45 S46 S52	K44-G48 PolarHBondContact O-N 3.39Å; I45-G48 PolarHBondContact O-N 3.43Å; S46-G48 PolarHBondContact O-N 2.96Å; G48-S52 PolarHBondContact O-N 3.48Å; G48-S52 PolarHBondContact O-OG 3.43Å
49	L	40.6	Very low	43.6	Very low	102 Å²	102	117 Å²	117	53%	0.534	60%	0.6	S	S	.	*	H	α-helix	trans	-71.6	-39	179.2	-90	155.3	0	0	0	112.9	I45 S46 S52 I53	I45-L49 HydrophobicContact CG2-CD1 4.24Å; I45-L49 PolarHBondContact O-N 3.47Å; S46-L49 PolarHBondContact O-N 3.1Å; L49-S52 PolarHBondContact O-N 3.48Å; L49-I53 WeakPolarHBondContact O-CD1 3.4Å; L49-I53 WeakPolarHBondContact O-CG1 3.32Å; L49-I53 PolarHBondContact O-N 2.92Å
50	V	50.9	Low	42.6	Very low	94 Å²	94	119.3 Å²	119.3	57%	0.57	61%	0.613	S	S	*	*	H	α-helix	trans	-68.8	-36.4	179.9	177.1	0	0	0	0	111.5	S46 I53 S54	S46-V50 WeakPolarHBondContact O-CG2 3.02Å; S46-V50 PolarHBondContact O-N 2.84Å; S46-V50 VanDerWaalsContact O-N 3.13Å; V50-I53 PolarHBondContact O-N 3.12Å; V50-S54 PolarHBondContact O-N 3Å; V50-S54 VanDerWaalsContact O-N 3.07Å
51	H	47.8	Very low	41.7	Very low	128 Å²	128	121 Å²	121	59%	0.593	62%	0.622	S	S	*	*	H	α-helix	trans	-69.7	-34.8	178.3	-141.3	-67.3	0	0	0	112.4	W47 Q55	W47-H51 PolarHBondContact O-N 3.33Å; H51-Q55 PolarHBondContact O-N 3.2Å
52	S	46.1	Very low	41.1	Very low	71 Å²	71	123.2 Å²	123.2	50%	0.497	64%	0.635	S	S	.	*	H	α-helix	trans	-69.9	-37.4	173.5	-62.7	0	0	0	0	112.6	G48 L49 Q55 L56	G48-S52 PolarHBondContact O-N 3.48Å; G48-S52 PolarHBondContact O-OG 3.43Å; L49-S52 PolarHBondContact O-N 3.48Å; S52-Q55 PolarHBondContact O-N 3.45Å; S52-L56 WeakPolarHBondContact O-CD1 3.11Å; S52-L56 PolarHBondContact O-N 3.2Å
53	I	45.5	Very low	40.7	Very low	104 Å²	104	125 Å²	125	53%	0.533	64%	0.64	S	S	.	*	H	α-helix	trans	-71.6	-32.7	179.2	-66.8	164.4	0	0	0	111.8	L49 V50 Q55 L56 R57	L49-I53 WeakPolarHBondContact O-CD1 3.4Å; L49-I53 WeakPolarHBondContact O-CG1 3.32Å; L49-I53 PolarHBondContact O-N 2.92Å; V50-I53 PolarHBondContact O-N 3.12Å; I53-Q55 VanDerWaalsContact C-N 3.35Å; I53-L56 PolarHBondContact O-N 3.26Å; I53-R57 PolarHBondContact O-N 3.37Å
54	S	44.9	Very low	40	Very low	85 Å²	85	126.6 Å²	126.6	59%	0.594	65%	0.65	S	S	*	*	H	α-helix	trans	-70.1	-30.7	177.2	-164.2	0	0	0	0	112.9	V50	V50-S54 PolarHBondContact O-N 3Å; V50-S54 VanDerWaalsContact O-N 3.07Å
55	Q	40.3	Very low	39.2	Very low	140 Å²	140	123.7 Å²	123.7	65%	0.654	65%	0.648	S	S	*	*	H	α-helix	trans	-76.3	-28	173.8	-70	-166.8	-17.9	0	0	112.6	H51 S52 I53 R57	H51-Q55 PolarHBondContact O-N 3.2Å; S52-Q55 PolarHBondContact O-N 3.45Å; I53-Q55 VanDerWaalsContact C-N 3.35Å; Q55-R57 VanDerWaalsContact C-N 3.27Å; Q55-R57 PolarHBondContact O-N 2.7Å
56	L	39.1	Very low	38.2	Very low	108 Å²	108	125.6 Å²	125.6	57%	0.565	66%	0.66	S	S	*	*	H	α-helix	trans	-71.2	-17.8	176.4	-86.8	156.5	0	0	0	113.9	S52 I53	S52-L56 WeakPolarHBondContact O-CD1 3.11Å; S52-L56 PolarHBondContact O-N 3.2Å; I53-L56 PolarHBondContact O-N 3.26Å
57	R	37.9	Very low	37.6	Very low	219 Å²	219	129.9 Å²	129.9	83%	0.826	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-15.5	-177.1	-135.3	177.7	-171.8	177.9	2.2	114.3	I53 Q55	I53-R57 PolarHBondContact O-N 3.37Å; Q55-R57 VanDerWaalsContact C-N 3.27Å; Q55-R57 PolarHBondContact O-N 2.7Å
58	E	39	Very low	36.3	Very low	183 Å²	183	127.3 Å²	127.3	86%	0.855	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-6.7	175.8	-76.8	-158.1	160	0	0	114.3
59	L	31.6	Very low	35.5	Very low	139 Å²	139	133.9 Å²	133.9	73%	0.728	70%	0.703	S	S	*	*	S	Bend	trans	-101.8	4.3	-174.5	-77	168.9	0	0	0	115.5
60	L	28	Very low	34.6	Very low	148 Å²	148	137.8 Å²	137.8	78%	0.775	72%	0.718	S	S	*	*	S	Bend	trans	-121.6	24.1	-172.8	-79.9	171	0	0	0	116
61	I	28.2	Very low	33.5	Very low	140 Å²	140	139.1 Å²	139.1	72%	0.718	73%	0.729	S	S	*	*			trans	-129.6	83.7	166.7	-50.6	177.8	0	0	0	108.5
62	T	33	Very low	32.5	Very low	130 Å²	130	141.1 Å²	141.1	80%	0.798	74%	0.744	S	S	*	*			trans	-110.8	112.4	161.2	51.8	0	0	0	0	107.5
63	D	31.1	Very low	31.3	Very low	126 Å²	126	142.3 Å²	142.3	67%	0.674	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-56.1	138	-176.9	-65.3	-51.8	0	0	0	112.2
64	I	27.4	Very low	30	Very low	155 Å²	155	144.8 Å²	144.8	80%	0.795	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-72.2	132.3	168.7	-65.6	169.5	0	0	0	107.3	D66	I64-D66 PolarHBondContact O-N 2.8Å
65	P	28.8	Very low	29.1	Very low	105 Å²	105	146.2 Å²	146.2	68%	0.682	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73.7	123.5	-177.5	27.8	-31.3	0	0	0	111.4	D67	P65-D67 PolarHBondContact O-N 2.83Å
66	D	25.2	Very low	28.2	Very low	153 Å²	153	147.5 Å²	147.5	82%	0.818	78%	0.782	S	S	*	*			trans	-77.7	103	162.9	-80.1	-40.3	0	0	0	108.8	I64 N68	I64-D66 PolarHBondContact O-N 2.8Å; D66-N68 VanDerWaalsContact C-N 3.31Å; D66-N68 PolarHBondContact O-N 3.3Å
67	D	32.3	Very low	27.2	Very low	155 Å²	155	147.4 Å²	147.4	83%	0.829	79%	0.79	S	S	*	*			trans	-76	83.9	167.3	-81	-31	0	0	0	109.5	P65	P65-D67 PolarHBondContact O-N 2.83Å
68	N	19.7	Very low	26.5	Very low	148 Å²	148	143 Å²	143	79%	0.791	79%	0.79	S	S	*	*			trans	-122.6	95.1	157.7	-89.9	-32.2	0	0	0	107.8	D66	D66-N68 VanDerWaalsContact C-N 3.31Å; D66-N68 PolarHBondContact O-N 3.3Å
69	L	28.2	Very low	25.6	Very low	179 Å²	179	142.7 Å²	142.7	94%	0.937	79%	0.789	S	S	*	*			trans	-129	104.6	161.3	-130.6	78.5	0	0	0	109
70	Q	21.5	Very low	25.1	Very low	183 Å²	183	144.1 Å²	144.1	86%	0.855	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.4	151.7	163.5	-104.3	162.5	-64.8	0	0	110.1
71	P	28.2	Very low	24.7	Very low	122 Å²	122	143 Å²	143	79%	0.792	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-83.3	128.8	-173.7	31.7	-31.3	0	0	0	111.7
72	D	26.1	Very low	24.2	Very low	170 Å²	170	143.2 Å²	143.2	91%	0.909	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-70.1	131.1	172.9	-87	-33.2	0	0	0	111.6
73	S	21.7	Very low	23.7	Very low	96 Å²	96	144.9 Å²	144.9	67%	0.671	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.9	142.8	178.4	48.9	0	0	0	0	113.7
74	L	18.7	Very low	23.1	Very low	156 Å²	156	147.7 Å²	147.7	82%	0.817	80%	0.803	S	S	*	*			trans	28.7	120.7	139.7	-74.3	100.2	0	0	0	120.5
75	S	25.7	Very low	22.8	Very low	115 Å²	115	148.7 Å²	148.7	80%	0.804	80%	0.804	S	S	*	*			trans	-146.9	92.8	137	60	0	0	0	0	108.2
76	Q	20.2	Very low	22.4	Very low	168 Å²	168	152 Å²	152	79%	0.785	81%	0.808	S	S	*	*				47.6	102.1	104	-73.6	-173.3	-4.6	0	0	116
77	S	18.4	Very low	22.2	Very low	105 Å²	105	152.4 Å²	152.4	73%	0.734	81%	0.805	S	S	*	*			trans	52.7	146	131	77.3	0	0	0	0	119.9
78	P	23.6	Very low	21.7	Very low	127 Å²	127	152.4 Å²	152.4	83%	0.825	81%	0.805	S	S	*	*				-133.2	149.9	64.8	28.6	-8.4	0	0	0	115.6
79	E	19.3	Very low	21.7	Very low	177 Å²	177	149.6 Å²	149.6	83%	0.827	80%	0.802	S	S	*	*			trans	-57.2	138.5	165.2	-61.6	165.9	143.8	0	0	111.1
80	N	22	Very low	21.4	Very low	168 Å²	168	149.4 Å²	149.4	90%	0.898	80%	0.8	S	S	*	*			trans	-146.1	121	141.6	-143.2	0.8	0	0	0	111
81	N	18.9	Very low	21.2	Very low	124 Å²	124	147.6 Å²	147.6	66%	0.663	80%	0.801	S	S	*	*			trans	-82.3	154.9	178.9	-81.8	-45.8	0	0	0	111
82	N	18.8	Very low	20.9	Very low	145 Å²	145	145.1 Å²	145.1	78%	0.775	80%	0.798	S	S	*	*			trans	68.5	119.8	154.6	-60.9	-37.8	0	0	0	117.5
83	I	23.2	Very low	20.6	Very low	166 Å²	166	144.3 Å²	144.3	85%	0.851	79%	0.793	S	S	*	*				-177	132.2	102.4	-87	154.4	0	0	0	109.3
84	K	17.8	Very low	20.6	Very low	184 Å²	184	143.4 Å²	143.4	80%	0.8	79%	0.787	S	S	*	*			trans	-64.5	173.5	170.8	-70	169.5	170.6	174.8	0	112
85	Q	21.7	Very low	20.7	Very low	177 Å²	177	141.9 Å²	141.9	83%	0.827	78%	0.784	S	S	*	*			trans	97.4	139.5	162.6	-54.3	179.1	22.7	0	0	113
86	K	20.4	Very low	20.4	Very low	175 Å²	175	145.4 Å²	145.4	76%	0.761	79%	0.785	S	S	*	*			cis	-166.3	155.3	0.6	-136.7	173.7	171.9	-177.5	0	107.1
87	H	19.2	Very low	20.4	Very low	161 Å²	161	142.1 Å²	142.1	75%	0.745	78%	0.777	S	S	*	*			trans	-11.2	140.2	154.7	-68.9	-88.2	0	0	0	119.8
88	D	22.5	Very low	20.5	Very low	155 Å²	155	144.8 Å²	144.8	83%	0.829	78%	0.783	S	S	*	*				-178.9	109.2	118	-77.6	-24.6	0	0	0	107.1
89	A	19.3	Very low	20.4	Very low	88 Å²	88	142.3 Å²	142.3	73%	0.727	78%	0.781	S	S	*	*				50	107	84.1	0	0	0	0	0	114.8
90	I	21.5	Very low	20.4	Very low	175 Å²	175	142 Å²	142	90%	0.897	78%	0.784	S	S	*	*			trans	-168.4	131.6	132.6	-88.7	148.5	0	0	0	109.1
91	V	18	Very low	20.4	Very low	145 Å²	145	139.9 Å²	139.9	88%	0.879	77%	0.772	S	S	*	*			trans	-87.1	143.2	176	168.8	0	0	0	0	109.3
92	G	22.5	Very low	20.5	Very low	70 Å²	70	141.3 Å²	141.3	72%	0.722	77%	0.773	S	S	*	*			trans	167.5	75.2	170.5	0	0	0	0	0	116.3
93	D	20	Very low	20.8	Very low	153 Å²	153	141.8 Å²	141.8	82%	0.818	78%	0.775	S	S	*	*			trans	57.6	135.6	130.4	-140.7	17.4	0	0	0	124.6
94	S	20.7	Very low	20.9	Very low	77 Å²	77	140.1 Å²	140.1	54%	0.538	77%	0.768	S	S	.	*			trans	48.4	108.6	145.6	63	0	0	0	0	123.3
95	T	21	Very low	21.5	Very low	124 Å²	124	138.6 Å²	138.6	76%	0.761	76%	0.763	S	S	*	*				66.9	127	125.1	58.6	0	0	0	0	122.2
96	F	19.8	Very low	21.5	Very low	189 Å²	189	137.3 Å²	137.3	83%	0.829	76%	0.762	S	S	*	*			trans	91	92.1	139.3	-108.5	-103.2	0	0	0	119.8
97	V	19.4	Very low	21.8	Very low	99 Å²	99	135.8 Å²	135.8	60%	0.6	77%	0.768	S	S	*	*				67.9	123.9	118	176.9	0	0	0	0	119.5
98	N	20.5	Very low	21.8	Very low	161 Å²	161	136.8 Å²	136.8	86%	0.861	77%	0.773	S	S	*	*			trans	77.4	96.6	155.1	-68.3	-12.2	0	0	0	118.9
99	G	21.7	Very low	21.8	Very low	76 Å²	76	135.2 Å²	135.2	78%	0.784	77%	0.769	S	S	*	*			trans	-159.4	100.4	159.8	0	0	0	0	0	110.4	D101	G99-D101 PolarHBondContact O-N 3.11Å
100	L	19.2	Very low	21.8	Very low	171 Å²	171	141.2 Å²	141.2	90%	0.895	77%	0.774	S	S	*	*			trans	-46.7	130.4	158.3	-73	137.5	0	0	0	110
101	D	21.6	Very low	21.9	Very low	122 Å²	122	141.9 Å²	141.9	65%	0.652	77%	0.773	S	S	*	*			trans	-168.8	130.2	133.8	-108.3	-14.2	0	0	0	113.5	G99	G99-D101 PolarHBondContact O-N 3.11Å
102	K	22.5	Very low	22.3	Very low	155 Å²	155	143.8 Å²	143.8	67%	0.674	76%	0.764	S	S	*	*			trans	46.8	108	132.6	-64	169.9	-168.5	128.4	0	118.2
103	N	25.1	Very low	22.3	Very low	155 Å²	155	149.4 Å²	149.4	83%	0.829	77%	0.772	S	S	*	*				173.4	138	95.6	-89.6	-33.3	0	0	0	111.4
104	N	24.9	Very low	22.7	Very low	130 Å²	130	148.9 Å²	148.9	70%	0.695	77%	0.774	S	S	*	*			trans	111.1	117.7	138.3	-119	14.8	0	0	0	120.5
105	H	30.1	Very low	22.8	Very low	152 Å²	152	152.6 Å²	152.6	70%	0.704	79%	0.788	S	S	*	*			trans	90.4	82.3	146.4	-67.8	0	0	0	0	119.7
106	N	21.8	Very low	23	Very low	150 Å²	150	150.7 Å²	150.7	80%	0.802	78%	0.78	S	S	*	*				12.5	113.9	124.1	-66.9	-8.2	0	0	0	117.2
107	T	26.1	Very low	23.3	Very low	144 Å²	144	148.3 Å²	148.3	88%	0.883	78%	0.775	S	S	*	*				-162.2	84.7	117.7	10.3	0	0	0	0	108.5
108	E	19.8	Very low	23.7	Very low	181 Å²	181	150.9 Å²	150.9	85%	0.846	79%	0.785	S	S	*	*			trans	-62.1	145.1	155.5	-66.7	179.2	151.6	0	0	108.7
109	V	22.6	Very low	23.9	Very low	123 Å²	123	154 Å²	154	75%	0.745	79%	0.785	S	S	*	*			trans	161	109.6	132.9	157	0	0	0	0	111
110	Y	19.9	Very low	23.9	Very low	213 Å²	213	159.4 Å²	159.4	84%	0.835	79%	0.787	S	S	*	*			trans	77.1	96.3	150.1	-75.4	-102.8	0	0	0	121.6
111	H	22.7	Very low	24.1	Very low	190 Å²	190	158.2 Å²	158.2	88%	0.88	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-61.5	121.5	146.6	-76.9	-77	0	0	0	111.1
112	R	26	Very low	24.3	Very low	185 Å²	185	160.2 Å²	160.2	70%	0.698	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-89.5	117.8	159.1	-107.5	-176	-159.5	161.7	9.5	109.3	C562 C563	R112-C562 PolarHBondContact NH2-O 2.87Å; R112-C563 VanDerWaalsContact NH1-CB 3.26Å
113	Q	22.5	Very low	24.4	Very low	188 Å²	188	158 Å²	158	88%	0.879	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.2	124.7	167.7	-72	162.4	-28.6	0	0	109.9
114	T	28.2	Very low	24.3	Very low	141 Å²	141	155.9 Å²	155.9	87%	0.865	79%	0.789	S	S	*	*			trans	-126.5	128.5	150	47	0	0	0	0	108.7
115	N	24	Very low	24.4	Very low	156 Å²	156	158.4 Å²	158.4	83%	0.834	79%	0.794	S	S	*	*			trans	-64	145.5	-165.1	-117.2	-16.5	0	0	0	116
116	S	25.8	Very low	24.4	Very low	83 Å²	83	157.2 Å²	157.2	58%	0.58	80%	0.803	S	S	*	*			trans	40.9	129.7	136.7	62.4	0	0	0	0	119.5
117	D	24.7	Very low	24.7	Very low	139 Å²	139	157.6 Å²	157.6	74%	0.743	80%	0.8	S	S	*	*			cis	-156.9	106	10.6	-85.3	-43.2	0	0	0	107.1
118	L	27.4	Very low	24.7	Very low	154 Å²	154	156.3 Å²	156.3	81%	0.806	80%	0.796	S	S	*	*			trans	-154.7	86	159.1	-106.6	149.4	0	0	0	104.9	F120	L118-F120 VanDerWaalsContact C-N 3.27Å; L118-F120 PolarHBondContact O-N 3.24Å
119	R	24.5	Very low	24.9	Very low	225 Å²	225	154.9 Å²	154.9	85%	0.849	79%	0.794	S	S	*	*			trans	-63.1	93.9	173.2	-66.7	-173.3	-172.6	175.8	2.4	107.6	I121	R119-I121 HydrophobicContact CB-CG1 4.43Å; R119-I121 PolarHBondContact O-N 3.24Å
120	F	23.5	Very low	24.9	Very low	191 Å²	191	156.6 Å²	156.6	84%	0.838	80%	0.799	S	S	*	*			trans	-66.9	93.1	154.1	-82.8	-88.9	0	0	0	106	L118 E122	L118-F120 VanDerWaalsContact C-N 3.27Å; L118-F120 PolarHBondContact O-N 3.24Å; F120-E122 PolarHBondContact O-N 2.99Å; F120-E122 VanDerWaalsContact O-N 3.12Å
121	I	23.2	Very low	25.1	Very low	146 Å²	146	154.5 Å²	154.5	75%	0.749	79%	0.79	S	S	*	*			trans	-65.9	110.2	165.9	-64.2	175.8	0	0	0	105.2	R119 A123	R119-I121 HydrophobicContact CB-CG1 4.43Å; R119-I121 PolarHBondContact O-N 3.24Å; I121-A123 PolarHBondContact O-N 2.81Å; I121-A123 VanDerWaalsContact O-N 3.17Å
122	E	24.5	Very low	25.2	Very low	163 Å²	163	150.5 Å²	150.5	76%	0.762	78%	0.781	S	S	*	*			trans	-50.9	120.2	166.6	-83.4	174.9	145.3	0	0	108.6	F120 T124	F120-E122 PolarHBondContact O-N 2.99Å; F120-E122 VanDerWaalsContact O-N 3.12Å; E122-T124 PolarHBondContact O-N 2.85Å
123	A	25.3	Very low	25.3	Very low	108 Å²	108	150.6 Å²	150.6	89%	0.893	79%	0.79	S	S	*	*			trans	-72	71.7	175.1	0	0	0	0	0	109.6	I121	I121-A123 PolarHBondContact O-N 2.81Å; I121-A123 VanDerWaalsContact O-N 3.17Å
124	T	23.4	Very low	25.5	Very low	111 Å²	111	146.9 Å²	146.9	68%	0.681	78%	0.78	S	S	*	*			trans	-120.2	77.7	170.6	55.1	0	0	0	0	109	E122	E122-T124 PolarHBondContact O-N 2.85Å
125	K	26.2	Very low	25.3	Very low	184 Å²	184	145.7 Å²	145.7	80%	0.8	77%	0.768	S	S	*	*			trans	-178.1	88.9	150.5	-102.3	165.6	-173.4	-179.3	0	107.7	Q127	K125-Q127 PolarHBondContact O-N 2.88Å
126	S	30.9	Very low	25.4	Very low	127 Å²	127	149.2 Å²	149.2	89%	0.888	77%	0.77	S	S	*	*			trans	-67	76.2	162.1	53.1	0	0	0	0	108.9
127	Q	27.2	Very low	25.4	Very low	158 Å²	158	151.8 Å²	151.8	74%	0.738	78%	0.777	S	S	*	*			trans	-103.5	120.1	156.8	-78.3	-178.8	-14.9	0	0	106.1	K125 L129	K125-Q127 PolarHBondContact O-N 2.88Å; Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 2.82Å
128	S	26	Very low	25.6	Very low	116 Å²	116	153.9 Å²	153.9	81%	0.811	78%	0.776	S	S	*	*			trans	-48.4	88.1	179.4	51.4	0	0	0	0	111.5	N130	S128-N130 PolarHBondContact O-N 2.84Å
129	L	23.8	Very low	25.7	Very low	151 Å²	151	150.9 Å²	150.9	79%	0.791	76%	0.759	S	S	*	*			trans	-71.7	114.8	164.5	-81.8	159.8	0	0	0	106.3	Q127 Y131	Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 2.82Å; L129-Y131 PolarHBondContact O-N 2.89Å
130	N	24.2	Very low	25.8	Very low	160 Å²	160	145.3 Å²	145.3	86%	0.856	75%	0.746	S	S	*	*			trans	-58.5	84.9	170.3	-79.4	-26	0	0	0	108.8	S128	S128-N130 PolarHBondContact O-N 2.84Å
131	Y	24.1	Very low	26	Very low	168 Å²	168	141.8 Å²	141.8	66%	0.659	74%	0.742	S	S	*	*			trans	-57.8	128.1	166.6	-99.3	-88.8	0	0	0	107.1	L129 Q133	L129-Y131 PolarHBondContact O-N 2.89Å; Y131-Q133 PolarHBondContact O-N 2.91Å
132	P	24.2	Very low	26.2	Very low	106 Å²	106	141 Å²	141	69%	0.688	74%	0.74	S	S	*	*			trans	-53	123.4	172	21.1	-29.7	0	0	0	107	T134	P132-T134 PolarHBondContact O-N 2.94Å
133	Q	27	Very low	26.7	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	73%	0.726	S	S	*	*			trans	-50.2	107.6	177.3	-69	179.6	-16.6	0	0	106.7	Y131 N135	Y131-Q133 PolarHBondContact O-N 2.91Å; Q133-N135 PolarHBondContact O-N 3.5Å
134	T	26.7	Very low	26.7	Very low	111 Å²	111	137.7 Å²	137.7	68%	0.681	71%	0.712	S	S	*	*			trans	-53.2	111.3	173.8	44.4	0	0	0	0	105.9	P132 R136	P132-T134 PolarHBondContact O-N 2.94Å; T134-R136 PolarHBondContact O-N 2.84Å
135	N	24.3	Very low	27.2	Very low	115 Å²	115	135 Å²	135	62%	0.615	70%	0.695	S	S	*	*			trans	-47.8	113.8	-174.5	-168.9	-6.9	0	0	0	108.4	Q133 N137 Y138	Q133-N135 PolarHBondContact O-N 3.5Å; N135-N137 PolarHBondContact O-N 3.21Å; N135-Y138 PolarHBondContact O-N 2.79Å
136	R	27.1	Very low	27.3	Very low	231 Å²	231	131.5 Å²	131.5	87%	0.872	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-5.5	-172.4	-154.9	175.1	-172.7	167.2	1.8	113.3	T134	T134-R136 PolarHBondContact O-N 2.84Å
137	N	26.2	Very low	27.3	Very low	137 Å²	137	131 Å²	131	73%	0.733	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	8.1	-171.5	-62.9	-9.7	0	0	0	115.1	N135	N135-N137 PolarHBondContact O-N 3.21Å
138	Y	27.9	Very low	27.6	Very low	182 Å²	182	126.9 Å²	126.9	71%	0.714	65%	0.651	S	S	*	*	S	Bend	trans	-94.8	-3.7	170.3	-104.7	-81.8	0	0	0	114.7	N135	N135-Y138 PolarHBondContact O-N 2.79Å
139	M	28.8	Very low	27.8	Very low	91 Å²	91	126 Å²	126	45%	0.448	64%	0.637	S	S	.	*	S	Bend	trans	-112.6	120.7	175.2	-68.9	-65	170	0	0	109.1	P141 L143 F344	M139-P141 WeakPolarHBondContact O-CD 3.41Å; M139-L143 HydrophobicContact CB-CD1 4.29Å; M139-F344 HydrophobicContact CE-CD2 3.98Å; M139-F344 HydrophobicContact CE-CE2 3.78Å
140	N	28	Very low	28.6	Very low	108 Å²	108	121.9 Å²	121.9	58%	0.578	61%	0.614	S	S	*	*			trans	-59.1	125	169.8	-173.8	-0.1	0	0	0	108.3	D142	N140-D142 PolarHBondContact ND2-OD2 3.2Å; N140-D142 VanDerWaalsContact ND2-OD2 3.09Å; N140-D142 PolarHBondContact O-N 3Å; N140-D142 PolarHBondContact OD1-N 3.43Å; N140-D142 PolarHBondContact OD1-OD2 3.45Å
141	P	27.4	Very low	29	Very low	117 Å²	117	121 Å²	121	76%	0.76	60%	0.604	S	S	*	*	S	Bend	trans	-61.9	-5.1	178.9	-22.8	33.8	0	0	0	115.6	M139 L143	M139-P141 WeakPolarHBondContact O-CD 3.41Å; P141-L143 PolarHBondContact O-N 2.86Å
142	D	27.7	Very low	29.6	Very low	131 Å²	131	123.1 Å²	123.1	70%	0.701	61%	0.611	S	S	*	*			trans	-71.9	26.4	174.4	-62.6	-37.1	0	0	0	114.2	N140 N144	N140-D142 PolarHBondContact ND2-OD2 3.2Å; N140-D142 VanDerWaalsContact ND2-OD2 3.09Å; N140-D142 PolarHBondContact O-N 3Å; N140-D142 PolarHBondContact OD1-N 3.43Å; N140-D142 PolarHBondContact OD1-OD2 3.45Å; D142-N144 PolarHBondContact O-N 3.25Å
143	L	34.1	Very low	30.6	Very low	91 Å²	91	123.3 Å²	123.3	48%	0.476	61%	0.606	S	S	.	*			trans	-65.7	15.1	179.2	-89	161.5	0	0	0	114.5	M139 P141 T145	M139-L143 HydrophobicContact CB-CD1 4.29Å; P141-L143 PolarHBondContact O-N 2.86Å; L143-T145 PolarHBondContact O-N 2.97Å; L143-T145 VanDerWaalsContact O-N 3.14Å
144	N	25.3	Very low	31.4	Very low	109 Å²	109	118.4 Å²	118.4	58%	0.583	59%	0.586	S	S	*	*			trans	-81.3	95.7	174.2	-126.1	-3.9	0	0	0	109.9	D142 D146 N147	D142-N144 PolarHBondContact O-N 3.25Å; N144-D146 PolarHBondContact O-N 3.32Å; N144-D146 PolarHBondContact OD1-OD2 3.18Å; N144-N147 PolarHBondContact O-N 3.07Å
145	T	33.8	Very low	32.9	Very low	54 Å²	54	120 Å²	120	33%	0.331	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-56.3	-10.1	164.1	31.9	0	0	0	0	113.3	L143 N147 Y343 I383	L143-T145 PolarHBondContact O-N 2.97Å; L143-T145 VanDerWaalsContact O-N 3.14Å; T145-N147 PolarHBondContact O-N 2.76Å; T145-Y343 HydrophobicContact CG2-CD1 4.38Å; T145-I383 HydrophobicContact CG2-CD1 4.4Å
146	D	28.7	Very low	34.3	Very low	112 Å²	112	118.6 Å²	118.6	60%	0.599	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-73.5	-6.4	177.5	-64.6	-7	0	0	0	113.7	N144 N149	N144-D146 PolarHBondContact O-N 3.32Å; N144-D146 PolarHBondContact OD1-OD2 3.18Å; D146-N149 PolarHBondContact O-ND2 2.86Å
147	N	30	Very low	35.5	Very low	117 Å²	117	111 Å²	111	63%	0.626	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-98	25.9	177.2	-145.9	9.3	0	0	0	114.5	N144 T145 N149	N144-N147 PolarHBondContact O-N 3.07Å; T145-N147 PolarHBondContact O-N 2.76Å; N147-N149 VanDerWaalsContact C-N 3.27Å
148	Y	34.2	Very low	36.7	Very low	70 Å²	70	107.5 Å²	107.5	28%	0.275	54%	0.536	S	S	.	.			trans	-97.2	32.5	156.1	-130	-87.7	0	0	0	111.3	H150 Y376	Y148-H150 PolarHBondContact O-N 2.97Å; Y148-Y376 HydrophobicContact CD1-CD1 4.01Å; Y148-Y376 HydrophobicContact CD1-CD2 4.24Å; Y148-Y376 HydrophobicContact CD1-CE1 4.13Å; Y148-Y376 HydrophobicContact CD1-CE2 4.35Å; Y148-Y376 HydrophobicContact CD1-CG 4.07Å; Y148-Y376 HydrophobicContact CD2-CD2 4.15Å; Y148-Y376 HydrophobicContact CD2-CE2 4.36Å; Y148-Y376 HydrophobicContact CE1-CD1 4.4Å; Y148-Y376 HydrophobicContact CE1-CG 4.28Å; Y148-Y376 HydrophobicContact CG-CD1 4.47Å; Y148-Y376 AromaticContact CG-CD2 3.93Å; Y148-Y376 HydrophobicContact CG-CD2 3.93Å; Y148-Y376 HydrophobicContact CG-CE1 4.4Å; Y148-Y376 AromaticContact CG-CE2 3.86Å; Y148-Y376 HydrophobicContact CG-CE2 3.86Å; Y148-Y376 HydrophobicContact CG-CG 4.24Å
149	N	30.2	Very low	37.9	Very low	97 Å²	97	103.3 Å²	103.3	52%	0.519	52%	0.523	S	S	.	.			trans	-60.2	128.1	154.9	-78	-38.6	0	0	0	106.9	D146 N147 Q151	D146-N149 PolarHBondContact O-ND2 2.86Å; N147-N149 VanDerWaalsContact C-N 3.27Å; N149-Q151 HydrophobicContact CB-CB 4.26Å; N149-Q151 HydrophobicContact CB-CG 4Å; N149-Q151 PolarHBondContact O-N 3.43Å
150	H	40.2	Very low	39	Very low	66 Å²	66	104.9 Å²	104.9	31%	0.306	53%	0.529	S	S	.	.			trans	-57.9	16.5	168.6	-101.2	-59.7	0	0	0	114	Y148 R152 H373 P494	Y148-H150 PolarHBondContact O-N 2.97Å; H150-R152 PolarHBondContact O-N 3.33Å; H150-H373 AromaticContact NE2-CE1 3.8Å; H150-H373 AromaticContact NE2-ND1 3.46Å; H150-H373 PolarHBondContact NE2-ND1 3Å; H150-P494 PolarHBondContact CD2-O 3.44Å; H150-P494 PolarHBondContact NE2-O 2.86Å
151	Q	32.9	Very low	39.9	Very low	140 Å²	140	101.9 Å²	101.9	65%	0.654	52%	0.515	S	S	*	.			trans	-57.7	132.5	167.8	-75.6	176.5	-8.2	0	0	108.5	N149 L153	N149-Q151 HydrophobicContact CB-CB 4.26Å; N149-Q151 HydrophobicContact CB-CG 4Å; N149-Q151 PolarHBondContact O-N 3.43Å; Q151-L153 PolarHBondContact O-N 3.38Å
152	R	36.8	Very low	41	Very low	213 Å²	213	98.8 Å²	98.8	80%	0.804	49%	0.492	S	S	*	.			trans	-31.3	112.9	174.6	-86	179.7	175.5	-178.9	-0.3	109.6	H150 N154	H150-R152 PolarHBondContact O-N 3.33Å; R152-N154 VanDerWaalsContact C-N 3.27Å; R152-N154 PolarHBondContact O-N 3.31Å
153	L	44.8	Very low	41.9	Very low	111 Å²	111	98.1 Å²	98.1	58%	0.581	49%	0.485	S	S	*	.			trans	-56.4	107.4	152.7	-80.2	162.3	0	0	0	104.7	Q151 Q157	Q151-L153 PolarHBondContact O-N 3.38Å; L153-Q157 HydrophobicContact CD2-CB 4.03Å
154	N	44.7	Very low	42.5	Very low	84 Å²	84	99 Å²	99	45%	0.449	49%	0.49	S	S	.	.			trans	-57.2	148.3	173.2	-75	-19.8	0	0	0	107.4	R152 T156 Q157 L158	R152-N154 VanDerWaalsContact C-N 3.27Å; R152-N154 PolarHBondContact O-N 3.31Å; N154-T156 PolarHBondContact O-N 3.13Å; N154-Q157 HydrophobicContact CB-CG 4.43Å; N154-Q157 WeakPolarHBondContact O-CA 3.42Å; N154-Q157 WeakPolarHBondContact O-CB 3.29Å; N154-Q157 PolarHBondContact O-N 3.04Å; N154-L158 PolarHBondContact O-N 2.89Å
155	Q	57.2	Low	43.5	Very low	145 Å²	145	96.1 Å²	96.1	68%	0.678	47%	0.473	S	S	*	.	H	α-helix	trans	-52.5	-35.5	-178.4	-174.4	169.1	-10.9	0	0	111.5	L158 E159	Q155-L158 PolarHBondContact O-N 2.8Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.41Å; Q155-E159 PolarHBondContact NE2-OE1 3.16Å; Q155-E159 VanDerWaalsContact O-CB 3.28Å; Q155-E159 WeakPolarHBondContact O-CB 3.16Å; Q155-E159 WeakPolarHBondContact O-CG 3.46Å; Q155-E159 PolarHBondContact O-N 3.36Å
156	T	54.9	Low	44.1	Very low	84 Å²	84	97.7 Å²	97.7	52%	0.515	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-37.4	172.2	46	0	0	0	0	114.5	N154 E159 Q160	N154-T156 PolarHBondContact O-N 3.13Å; T156-E159 PolarHBondContact O-N 2.74Å; T156-Q160 VanDerWaalsContact O-CB 3.31Å; T156-Q160 WeakPolarHBondContact O-CB 3.5Å; T156-Q160 WeakPolarHBondContact O-CG 3.31Å; T156-Q160 PolarHBondContact O-N 3.01Å
157	Q	51.5	Low	44.4	Very low	73 Å²	73	98 Å²	98	34%	0.341	48%	0.482	S	S	.	.	H	α-helix	trans	-74.1	-36.5	175.4	-71.6	174.4	-21.7	0	0	111.7	L153 N154 E159 T161	L153-Q157 HydrophobicContact CD2-CB 4.03Å; N154-Q157 HydrophobicContact CB-CG 4.43Å; N154-Q157 WeakPolarHBondContact O-CA 3.42Å; N154-Q157 WeakPolarHBondContact O-CB 3.29Å; N154-Q157 PolarHBondContact O-N 3.04Å; Q157-E159 VanDerWaalsContact C-N 3.34Å; Q157-T161 WeakPolarHBondContact O-CB 3.46Å; Q157-T161 PolarHBondContact O-N 3.25Å; Q157-T161 PolarHBondContact O-OG1 3.18Å
158	L	51	Low	44.7	Very low	63 Å²	63	96.1 Å²	96.1	33%	0.33	47%	0.471	S	S	.	.	H	α-helix	trans	-62.7	-44.6	171	-180	63.9	0	0	0	110.2	N154 Q155 T161 I162	N154-L158 PolarHBondContact O-N 2.89Å; Q155-L158 PolarHBondContact O-N 2.8Å; L158-T161 PolarHBondContact O-N 3.11Å; L158-I162 HydrophobicContact CD1-CD1 4.34Å; L158-I162 HydrophobicContact CG-CD1 4.03Å; L158-I162 WeakPolarHBondContact O-CB 2.99Å; L158-I162 WeakPolarHBondContact O-CD1 3.2Å; L158-I162 WeakPolarHBondContact O-CG1 3.28Å; L158-I162 PolarHBondContact O-N 3.2Å
159	E	54.9	Low	44.8	Very low	94 Å²	94	99.1 Å²	99.1	44%	0.439	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-41.8	176.3	-75.5	168.2	-173.1	0	0	112.4	Q155 T156 Q157 I162 Q163	Q155-E159 WeakPolarHBondContact CG-OE1 3.41Å; Q155-E159 PolarHBondContact NE2-OE1 3.16Å; Q155-E159 VanDerWaalsContact O-CB 3.28Å; Q155-E159 WeakPolarHBondContact O-CB 3.16Å; Q155-E159 WeakPolarHBondContact O-CG 3.46Å; Q155-E159 PolarHBondContact O-N 3.36Å; T156-E159 PolarHBondContact O-N 2.74Å; Q157-E159 VanDerWaalsContact C-N 3.34Å; E159-I162 CarbonylContact O-C 3.2Å; E159-I162 WeakPolarHBondContact O-CA 3.49Å; E159-I162 WeakPolarHBondContact O-CB 3.27Å; E159-I162 PolarHBondContact O-N 2Å; E159-Q163 WeakPolarHBondContact O-CB 3.38Å; E159-Q163 PolarHBondContact O-N 2.04Å
160	Q	50.1	Low	45	Very low	123 Å²	123	99.5 Å²	99.5	58%	0.575	49%	0.494	S	S	*	.	H	α-helix	trans	-62.7	-43.2	172.7	-86.4	177.1	-35.4	0	0	111.6	T156 I162 Q163 D164	T156-Q160 VanDerWaalsContact O-CB 3.31Å; T156-Q160 WeakPolarHBondContact O-CB 3.5Å; T156-Q160 WeakPolarHBondContact O-CG 3.31Å; T156-Q160 PolarHBondContact O-N 3.01Å; Q160-I162 PolarHBondContact O-N 3.32Å; Q160-Q163 PolarHBondContact O-N 3.32Å; Q160-D164 WeakPolarHBondContact O-CB 3.34Å; Q160-D164 VanDerWaalsContact O-CG 3.31Å; Q160-D164 PolarHBondContact O-N 3.39Å
161	T	48.2	Very low	44.8	Very low	45 Å²	45	103.5 Å²	103.5	28%	0.276	52%	0.518	S	S	.	.	H	α-helix	trans	-59.8	-31.9	172.3	-51.7	0	0	0	0	111	Q157 L158 M165	Q157-T161 WeakPolarHBondContact O-CB 3.46Å; Q157-T161 PolarHBondContact O-N 3.25Å; Q157-T161 PolarHBondContact O-OG1 3.18Å; L158-T161 PolarHBondContact O-N 3.11Å; T161-M165 WeakPolarHBondContact O-CE 3.44Å; T161-M165 WeakPolarHBondContact O-CG 3.3Å
162	I	49.3	Very low	44.8	Very low	53 Å²	53	105.5 Å²	105.5	27%	0.272	53%	0.529	S	S	.	.	H	α-helix	trans	-76.8	-35.1	174.8	-68.2	161.8	0	0	0	112.4	L158 E159 Q160 M165 N166	L158-I162 HydrophobicContact CD1-CD1 4.34Å; L158-I162 HydrophobicContact CG-CD1 4.03Å; L158-I162 WeakPolarHBondContact O-CB 2.99Å; L158-I162 WeakPolarHBondContact O-CD1 3.2Å; L158-I162 WeakPolarHBondContact O-CG1 3.28Å; L158-I162 PolarHBondContact O-N 3.2Å; E159-I162 CarbonylContact O-C 3.2Å; E159-I162 WeakPolarHBondContact O-CA 3.49Å; E159-I162 WeakPolarHBondContact O-CB 3.27Å; E159-I162 PolarHBondContact O-N 2Å; Q160-I162 PolarHBondContact O-N 3.32Å; I162-M165 HydrophobicContact CB-CE 4.15Å; I162-M165 HydrophobicContact CG1-CE 3.71Å; I162-M165 WeakPolarHBondContact O-CB 3.41Å; I162-M165 PolarHBondContact O-N 3.04Å; I162-N166 PolarHBondContact O-N 2.04Å; I162-N166 PolarHBondContact O-ND2 3.47Å
163	Q	47.9	Very low	44.5	Very low	117 Å²	117	102 Å²	102	55%	0.547	52%	0.523	S	S	.	.	H	α-helix	trans	-69.8	-46.8	178.2	-158.7	88.1	-9.1	0	0	110.6	E159 Q160 M165 N166 D167	E159-Q163 WeakPolarHBondContact O-CB 3.38Å; E159-Q163 PolarHBondContact O-N 2.04Å; Q160-Q163 PolarHBondContact O-N 3.32Å; Q163-M165 PolarHBondContact O-N 2.91Å; Q163-N166 PolarHBondContact O-N 3.49Å; Q163-D167 PolarHBondContact O-N 2.89Å
164	D	46.7	Very low	44	Very low	110 Å²	110	101.1 Å²	101.1	59%	0.588	52%	0.523	S	S	*	.	H	α-helix	trans	-60.2	-17.5	172	-66.9	-12.8	0	0	0	112.6	Q160	Q160-D164 WeakPolarHBondContact O-CB 3.34Å; Q160-D164 VanDerWaalsContact O-CG 3.31Å; Q160-D164 PolarHBondContact O-N 3.39Å
165	M	46.2	Very low	43.7	Very low	47 Å²	47	100.8 Å²	100.8	23%	0.232	52%	0.524	C	S	.	.	H	α-helix	trans	-87.2	-22.4	172.9	-76.9	-170.9	-61.8	0	0	113.8	T161 I162 Q163	T161-M165 WeakPolarHBondContact O-CE 3.44Å; T161-M165 WeakPolarHBondContact O-CG 3.3Å; I162-M165 HydrophobicContact CB-CE 4.15Å; I162-M165 HydrophobicContact CG1-CE 3.71Å; I162-M165 WeakPolarHBondContact O-CB 3.41Å; I162-M165 PolarHBondContact O-N 3.04Å; Q163-M165 PolarHBondContact O-N 2.91Å
166	N	45.3	Very low	43.1	Very low	87 Å²	87	102.4 Å²	102.4	47%	0.465	53%	0.532	S	S	.	.	H	α-helix	trans	-89.6	-29	-176.7	-70.8	-20.7	0	0	0	112.6	I162 Q163 N168	I162-N166 PolarHBondContact O-N 2.04Å; I162-N166 PolarHBondContact O-ND2 3.47Å; Q163-N166 PolarHBondContact O-N 3.49Å; N166-N168 VanDerWaalsContact C-N 3.26Å; N166-N168 PolarHBondContact O-N 3.36Å
167	D	34.8	Very low	42.6	Very low	120 Å²	120	101.5 Å²	101.5	64%	0.642	53%	0.526	S	S	*	.	S	Bend	trans	-81.2	69.2	176.4	-69.4	-24.8	0	0	0	111.2	Q163	Q163-D167 PolarHBondContact O-N 2.89Å
168	N	37.6	Very low	42.4	Very low	77 Å²	77	101.2 Å²	101.2	41%	0.412	52%	0.524	S	S	.	.			trans	-166	74.6	158.5	-89.4	-58.5	0	0	0	108.7	N166 D170 R198 K202	N166-N168 VanDerWaalsContact C-N 3.26Å; N166-N168 PolarHBondContact O-N 3.36Å; N168-D170 PolarHBondContact O-N 3.29Å; N168-R198 PolarHBondContact O-NE 3.45Å; N168-R198 PolarHBondContact O-NH1 3.2Å; N168-K202 PolarHBondContact OD1-NZ 3.32Å
169	N	36.2	Very low	42.2	Very low	133 Å²	133	102.5 Å²	102.5	71%	0.711	53%	0.534	S	S	*	.			trans	-89.9	56.5	174.6	-103	-15.9	0	0	0	112.3	R198	N169-R198 VanDerWaalsContact CA-NH2 3.31Å; N169-R198 PolarHBondContact OD1-NH1 2.56Å
170	D	34.8	Very low	42	Very low	105 Å²	105	98.3 Å²	98.3	56%	0.561	52%	0.516	S	S	*	.			trans	-85.6	117.9	172.8	-68.9	-33.8	0	0	0	113.7	N168 R198	N168-D170 PolarHBondContact O-N 3.29Å; D170-R198 PolarHBondContact O-NE 3.22Å; D170-R198 PolarHBondContact O-NH2 3.25Å
171	N	36.2	Very low	42.6	Very low	150 Å²	150	99.3 Å²	99.3	80%	0.802	53%	0.533	S	S	*	.			trans	-20	135.9	178	-64.9	-41.9	0	0	0	118.3	M173	N171-M173 PolarHBondContact O-N 2.03Å
172	M	31.5	Very low	43.5	Very low	182 Å²	182	101.6 Å²	101.6	90%	0.897	54%	0.544	S	S	*	.			trans	-72.1	105	171.9	-175.8	152.4	67.5	0	0	109.8
173	M	30.8	Very low	44	Very low	138 Å²	138	101.9 Å²	101.9	68%	0.68	56%	0.56	S	S	*	*			trans	-68.9	136.3	175.6	-82.1	-178.9	171.9	0	0	111.8	N171	N171-M173 PolarHBondContact O-N 2.03Å
174	T	33.7	Very low	44.2	Very low	93 Å²	93	103.1 Å²	103.1	57%	0.571	56%	0.563	S	S	*	*			trans	-91	167.1	-177	54.8	0	0	0	0	112.6	E176 T177	T174-E176 PolarHBondContact O-N 3.21Å; T174-E176 VanDerWaalsContact O-N 3.08Å; T174-T177 PolarHBondContact O-N 3.25Å; T174-T177 PolarHBondContact O-OG1 3Å
175	T	39	Very low	44.1	Very low	77 Å²	77	103.8 Å²	103.8	47%	0.472	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-61.8	-11	-173.7	39.8	0	0	0	0	116.8	T177 F178 N268	T175-T177 PolarHBondContact O-N 3.03Å; T175-F178 HydrophobicContact CG2-CE2 4.13Å; T175-F178 WeakPolarHBondContact O-CD2 3.39Å; T175-N268 PolarHBondContact OG1-ND2 3.45Å
176	E	44	Very low	44.4	Very low	179 Å²	179	106.9 Å²	106.9	84%	0.836	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-78.3	-3.7	178.8	-68.2	178.1	170.6	0	0	113.1	T174	T174-E176 PolarHBondContact O-N 3.21Å; T174-E176 VanDerWaalsContact O-N 3.08Å
177	T	45.7	Very low	45	Very low	66 Å²	66	106.8 Å²	106.8	41%	0.405	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-94.7	1.5	-179.2	51.3	0	0	0	0	115	T174 T175	T174-T177 PolarHBondContact O-N 3.25Å; T174-T177 PolarHBondContact O-OG1 3Å; T175-T177 PolarHBondContact O-N 3.03Å
178	F	46.2	Very low	46.7	Very low	67 Å²	67	102.8 Å²	102.8	29%	0.294	56%	0.56	S	S	.	*	S	Bend	trans	-85.1	-8.8	-174.6	-70.2	-69.3	0	0	0	115	T175 L185 Q186 M187	T175-F178 HydrophobicContact CG2-CE2 4.13Å; T175-F178 WeakPolarHBondContact O-CD2 3.39Å; F178-L185 CarbonylContact O-C 3.59Å; F178-L185 WeakPolarHBondContact O-CA 3.47Å; F178-Q186 PolarHBondContact O-N 3.39Å; F178-M187 HydrophobicContact CD1-CE 3.71Å; F178-M187 HydrophobicContact CD1-SD 4.18Å; F178-M187 HydrophobicContact CE1-CE 3.77Å; F178-M187 HydrophobicContact CE1-SD 3.94Å
179	V	47	Very low	48.6	Very low	89 Å²	89	102.8 Å²	102.8	54%	0.539	56%	0.558	S	S	.	*	B	Isolated β-bridge	trans	-121.1	115.3	178.9	-175.9	0	0	0	0	107.2	K184	V179-K184 WeakPolarHBondContact CA-O 3.21Å
180	G	51.7	Low	50.9	Low	6 Å²	6	96.5 Å²	96.5	6%	0.062	53%	0.525	C	S	.	.			trans	-62.7	165.2	175.2	0	0	0	0	0	111.3	D182 G183 K184 Q186	G180-D182 PolarHBondContact O-N 2.7Å; G180-G183 PolarHBondContact O-N 3.27Å; G180-K184 PolarHBondContact N-O 2.77Å; G180-Q186 VanDerWaalsContact CA-NE2 3.33Å
181	P	61.9	Low	53	Low	144 Å²	144	93 Å²	93	94%	0.935	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-16.9	175.5	22.3	-32	0	0	0	113.5
182	D	66.2	Low	54.6	Low	94 Å²	94	90.7 Å²	90.7	50%	0.503	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4.3	174.4	67.5	-23.3	0	0	0	114.3	G180 K184	G180-D182 PolarHBondContact O-N 2.7Å; D182-K184 PolarHBondContact O-N 2.87Å; D182-K184 PolarHBondContact OD1-N 3.39Å; D182-K184 WeakPolarHBondContact OD2-CD 3.06Å; D182-K184 WeakPolarHBondContact OD2-CE 3.04Å; D182-K184 VanDerWaalsContact OD2-CG 3.28Å; D182-K184 WeakPolarHBondContact OD2-CG 3.5Å; D182-K184 IonicContact OD2-NZ 3.8Å
183	G	59.9	Low	55.7	Low	58 Å²	58	86 Å²	86	60%	0.598	47%	0.474	S	S	*	.	S	Bend	trans	76.1	2.9	-177.7	0	0	0	0	0	114.3	G180	G180-G183 PolarHBondContact O-N 3.27Å
184	K	52.3	Low	57.2	Low	143 Å²	143	82.3 Å²	82.3	62%	0.622	46%	0.457	S	S	*	.			trans	-83.6	142.1	178.2	-66.8	-174.5	-164.4	152.5	0	111.3	V179 G180 D182 Q186	V179-K184 WeakPolarHBondContact CA-O 3.21Å; G180-K184 PolarHBondContact N-O 2.77Å; D182-K184 PolarHBondContact O-N 2.87Å; D182-K184 PolarHBondContact OD1-N 3.39Å; D182-K184 WeakPolarHBondContact OD2-CD 3.06Å; D182-K184 WeakPolarHBondContact OD2-CE 3.04Å; D182-K184 VanDerWaalsContact OD2-CG 3.28Å; D182-K184 WeakPolarHBondContact OD2-CG 3.5Å; D182-K184 IonicContact OD2-NZ 3.8Å; K184-Q186 PolarHBondContact O-N 2.94Å
185	L	45.3	Very low	58.7	Low	125 Å²	125	79.4 Å²	79.4	65%	0.654	45%	0.445	S	S	*	.	B	Isolated β-bridge	trans	-62.7	107	172.8	-169.2	77.1	0	0	0	109.6	F178 M187	F178-L185 CarbonylContact O-C 3.59Å; F178-L185 WeakPolarHBondContact O-CA 3.47Å; L185-M187 HydrophobicContact CD2-CB 3.96Å; L185-M187 HydrophobicContact CG-CB 4.05Å; L185-M187 PolarHBondContact O-N 3.08Å
186	Q	52.4	Low	60.8	Low	111 Å²	111	78.5 Å²	78.5	52%	0.519	44%	0.435	S	S	.	.			trans	-79.8	49	170.8	-71.3	-170.3	1.9	0	0	110.8	F178 G180 K184 S188	F178-Q186 PolarHBondContact O-N 3.39Å; G180-Q186 VanDerWaalsContact CA-NE2 3.33Å; K184-Q186 PolarHBondContact O-N 2.94Å; Q186-S188 PolarHBondContact O-N 3.43Å; Q186-S188 VanDerWaalsContact O-N 3.08Å
187	M	57.3	Low	62.9	Low	85 Å²	85	72.3 Å²	72.3	42%	0.419	41%	0.407	S	S	.	.			trans	-79.4	94.9	168.1	-165.5	66.9	65.8	0	0	107.8	F178 L185 D191	F178-M187 HydrophobicContact CD1-CE 3.71Å; F178-M187 HydrophobicContact CD1-SD 4.18Å; F178-M187 HydrophobicContact CE1-CE 3.77Å; F178-M187 HydrophobicContact CE1-SD 3.94Å; L185-M187 HydrophobicContact CD2-CB 3.96Å; L185-M187 HydrophobicContact CG-CB 4.05Å; L185-M187 PolarHBondContact O-N 3.08Å; M187-D191 HydrophobicContact SD-CB 3.62Å; M187-D191 VanDerWaalsContact SD-O 3.39Å
188	S	70.1	Confident	64.9	Low	37 Å²	37	75.4 Å²	75.4	26%	0.259	41%	0.411	S	S	.	.			trans	-63.8	152.7	172.3	81.6	0	0	0	0	109.7	Q186 C190 D191	Q186-S188 PolarHBondContact O-N 3.43Å; Q186-S188 VanDerWaalsContact O-N 3.08Å; S188-C190 PolarHBondContact O-N 3.44Å; S188-C190 VanDerWaalsContact OG-CB 3.3Å; S188-C190 WeakPolarHBondContact OG-CB 2.94Å; S188-C190 PolarHBondContact OG-N 3.15Å; S188-D191 PolarHBondContact O-N 2.97Å; S188-D191 PolarHBondContact OG-N 3.25Å; S188-D191 PolarHBondContact OG-OD2 3.22Å
189	I	78.7	Confident	66.9	Low	76 Å²	76	77.9 Å²	77.9	39%	0.39	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-53.7	-23.2	169.6	-162.9	167.3	0	0	0	111.9	D191 F196 L208 M211 I215	I189-D191 VanDerWaalsContact C-N 3.33Å; I189-F196 WeakPolarHBondContact O-CE2 3.07Å; I189-L208 HydrophobicContact CG2-CD1 3.66Å; I189-M211 HydrophobicContact CG2-CB 4.34Å; I189-M211 HydrophobicContact CG2-CG 4.47Å; I189-I215 HydrophobicContact CD1-CD1 3.28Å; I189-I215 HydrophobicContact CG1-CD1 4.18Å
190	C	84.2	Confident	69	Low	1 Å²	1	74.3 Å²	74.3	1%	0.007	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-76	-15.9	177.2	-49.7	0	0	0	0	114.3	S188 F196 K201 C204 R205	S188-C190 PolarHBondContact O-N 3.44Å; S188-C190 VanDerWaalsContact OG-CB 3.3Å; S188-C190 WeakPolarHBondContact OG-CB 2.94Å; S188-C190 PolarHBondContact OG-N 3.15Å; C190-F196 HydrophobicContact CB-CD2 4.36Å; C190-F196 WeakPolarHBondContact O-CD2 3.04Å; C190-K201 WeakPolarHBondContact O-CE 3.38Å; C190-C204 WeakPolarHBondContact CA-SG 2.99Å; C190-C204 HydrophobicContact CB-CB 3.76Å; C190-C204 WeakPolarHBondContact CB-SG 3.35Å; C190-C204 WeakPolarHBondContact SG-CB 3.44Å; C190-C204 CovalentContact SG-SG 2.03Å; C190-C204 PolarHBondContact SG-SG 2.8Å; C190-R205 HydrophobicContact CB-CG 4.29Å
191	D	79.7	Confident	70.8	Confident	31 Å²	31	76.6 Å²	76.6	17%	0.166	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-107	15.7	-175.6	-66	-55.3	0	0	0	113.6	M187 S188 I189 K201 R205	M187-D191 HydrophobicContact SD-CB 3.62Å; M187-D191 VanDerWaalsContact SD-O 3.39Å; S188-D191 PolarHBondContact O-N 2.97Å; S188-D191 PolarHBondContact OG-N 3.25Å; S188-D191 PolarHBondContact OG-OD2 3.22Å; I189-D191 VanDerWaalsContact C-N 3.33Å; D191-K201 IonicContact OD1-NZ 2.76Å; D191-K201 PolarHBondContact OD1-NZ 3.24Å; D191-R205 IonicContact OD1-NH2 3.63Å; D191-R205 PolarHBondContact OD1-NH2 2.77Å; D191-R205 IonicContact OD2-NH2 3.85Å
192	H	69.3	Low	72.1	Confident	103 Å²	103	74.1 Å²	74.1	48%	0.477	38%	0.379	S	S	.	.			trans	-49.9	142.1	178.8	-166.5	-85	0	0	0	113.5	N194 G195	H192-N194 VanDerWaalsContact C-N 3.31Å; H192-N194 PolarHBondContact ND1-N 3.46Å; H192-N194 PolarHBondContact O-N 3.33Å; H192-N194 VanDerWaalsContact O-N 3.15Å; H192-G195 VanDerWaalsContact O-CA 3.26Å; H192-G195 WeakPolarHBondContact O-CA 3.32Å; H192-G195 PolarHBondContact O-N 3.49Å
193	P	53.4	Low	73.2	Confident	84 Å²	84	70.3 Å²	70.3	55%	0.545	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.8	-171.5	17.7	-32.6	0	0	0	116.3	G195	P193-G195 PolarHBondContact O-N 3.44Å
194	N	63.6	Low	74.7	Confident	60 Å²	60	67.6 Å²	67.6	32%	0.321	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.9	171.9	-68.2	-13	0	0	0	113.9	H192 I276	H192-N194 VanDerWaalsContact C-N 3.31Å; H192-N194 PolarHBondContact ND1-N 3.46Å; H192-N194 PolarHBondContact O-N 3.33Å; H192-N194 VanDerWaalsContact O-N 3.15Å; N194-I276 WeakPolarHBondContact OD1-CB 3.45Å; N194-I276 WeakPolarHBondContact OD1-CG1 3.44Å
195	G	65.8	Low	76.5	Confident	31 Å²	31	66.8 Å²	66.8	32%	0.32	32%	0.323	S	S	.	.			trans	63.1	103.1	158.5	0	0	0	0	0	115.4	H192 P193	H192-G195 VanDerWaalsContact O-CA 3.26Å; H192-G195 WeakPolarHBondContact O-CA 3.32Å; H192-G195 PolarHBondContact O-N 3.49Å; P193-G195 PolarHBondContact O-N 3.44Å
196	F	82.7	Confident	78.5	Confident	59 Å²	59	65.1 Å²	65.1	26%	0.259	31%	0.312	S	S	.	.			trans	-56.8	139.2	155.6	-71	-35.8	0	0	0	110	I189 C190 Q200 K201 C204 F352	I189-F196 WeakPolarHBondContact O-CE2 3.07Å; C190-F196 HydrophobicContact CB-CD2 4.36Å; C190-F196 WeakPolarHBondContact O-CD2 3.04Å; F196-Q200 HydrophobicContact CB-CB 3.77Å; F196-Q200 HydrophobicContact CD1-CB 4.3Å; F196-Q200 HydrophobicContact CG-CB 4.16Å; F196-K201 HydrophobicContact CB-CG 3.57Å; F196-K201 WeakPolarHBondContact O-CE 3.23Å; F196-C204 HydrophobicContact CD2-CB 4.2Å; F196-C204 HydrophobicContact CE2-CB 4.28Å; F196-F352 AromaticContact CD1-CZ 3.97Å; F196-F352 HydrophobicContact CD1-CZ 3.97Å; F196-F352 HydrophobicContact CE1-CE1 4.14Å; F196-F352 AromaticContact CE1-CZ 3.52Å; F196-F352 HydrophobicContact CE1-CZ 3.52Å; F196-F352 HydrophobicContact CE2-CZ 4.31Å; F196-F352 AromaticContact CZ-CZ 3.73Å; F196-F352 HydrophobicContact CZ-CZ 3.73Å
197	L	87.8	Confident	80.2	Confident	49 Å²	49	61.4 Å²	61.4	26%	0.257	29%	0.293	S	S	.	.			trans	-64.5	157.2	172.2	-63.5	170.6	0	0	0	109.9	R199 Q200 K201 V355 R356	L197-R199 PolarHBondContact O-N 3.38Å; L197-Q200 HydrophobicContact CB-CG 4.38Å; L197-Q200 CarbonylContact O-C 3.53Å; L197-Q200 WeakPolarHBondContact O-CA 3.28Å; L197-Q200 WeakPolarHBondContact O-CB 3.34Å; L197-Q200 PolarHBondContact O-N 2.95Å; L197-K201 PolarHBondContact O-N 2.87Å; L197-V355 HydrophobicContact CB-CG1 3.99Å; L197-V355 HydrophobicContact CD1-CB 4.43Å; L197-V355 HydrophobicContact CD1-CG1 3.8Å; L197-R356 HydrophobicContact CD1-CB 3.96Å; L197-R356 HydrophobicContact CD1-CG 4.5Å
198	R	86.7	Confident	81.6	Confident	130 Å²	130	61.3 Å²	61.3	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-44.9	-47.4	-177.8	-168	-170.2	-162.8	168.7	15.8	113	N168 N169 D170 K201 K202	N168-R198 PolarHBondContact O-NE 3.45Å; N168-R198 PolarHBondContact O-NH1 3.2Å; N169-R198 VanDerWaalsContact CA-NH2 3.31Å; N169-R198 PolarHBondContact OD1-NH1 2.56Å; D170-R198 PolarHBondContact O-NE 3.22Å; D170-R198 PolarHBondContact O-NH2 3.25Å; R198-K201 PolarHBondContact O-N 2.85Å; R198-K202 PolarHBondContact O-N 3.02Å
199	R	88.6	Confident	82.4	Confident	120 Å²	120	66 Å²	66	45%	0.453	31%	0.312	S	S	.	.	H	α-helix	trans	-68.5	-38	178.1	-171	171.6	-175.4	151.7	2.3	113.3	L197 K202 L203 V355	L197-R199 PolarHBondContact O-N 3.38Å; R199-K202 PolarHBondContact O-N 3.46Å; R199-L203 WeakPolarHBondContact O-CG 3.32Å; R199-L203 PolarHBondContact O-N 2.93Å; R199-L203 VanDerWaalsContact O-N 3.1Å; R199-V355 HydrophobicContact CB-CG1 3.89Å; R199-V355 HydrophobicContact CB-CG2 4.4Å; R199-V355 HydrophobicContact CG-CG2 4.26Å
200	Q	91	Very high	82.9	Confident	13 Å²	13	62.6 Å²	62.6	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-39	173.3	-68.5	177.8	-54.8	0	0	111.5	F196 L197 L203 C204 F352 V355	F196-Q200 HydrophobicContact CB-CB 3.77Å; F196-Q200 HydrophobicContact CD1-CB 4.3Å; F196-Q200 HydrophobicContact CG-CB 4.16Å; L197-Q200 HydrophobicContact CB-CG 4.38Å; L197-Q200 CarbonylContact O-C 3.53Å; L197-Q200 WeakPolarHBondContact O-CA 3.28Å; L197-Q200 WeakPolarHBondContact O-CB 3.34Å; L197-Q200 PolarHBondContact O-N 2.95Å; Q200-L203 PolarHBondContact O-N 2.88Å; Q200-C204 WeakPolarHBondContact O-CB 2.98Å; Q200-C204 PolarHBondContact O-N 3.32Å; Q200-F352 HydrophobicContact CB-CD2 4.48Å; Q200-F352 HydrophobicContact CB-CE2 4.12Å; Q200-F352 WeakPolarHBondContact CG-O 3.5Å; Q200-F352 PolarHBondContact NE2-O 3.08Å; Q200-V355 HydrophobicContact CG-CB 3.68Å; Q200-V355 HydrophobicContact CG-CG1 3.99Å; Q200-V355 HydrophobicContact CG-CG2 3.66Å
201	K	90	Very high	83.1	Confident	54 Å²	54	62.8 Å²	62.8	24%	0.235	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-43.2	174.2	-71.3	-167.6	172.3	-154	0	111.9	C190 D191 F196 L197 R198 C204 R205	C190-K201 WeakPolarHBondContact O-CE 3.38Å; D191-K201 IonicContact OD1-NZ 2.76Å; D191-K201 PolarHBondContact OD1-NZ 3.24Å; F196-K201 HydrophobicContact CB-CG 3.57Å; F196-K201 WeakPolarHBondContact O-CE 3.23Å; L197-K201 PolarHBondContact O-N 2.87Å; R198-K201 PolarHBondContact O-N 2.85Å; K201-C204 PolarHBondContact O-N 3.05Å; K201-R205 WeakPolarHBondContact O-CG 2.99Å; K201-R205 PolarHBondContact O-N 2.94Å
202	K	89.4	Confident	83.5	Confident	93 Å²	93	68.1 Å²	68.1	40%	0.404	32%	0.319	S	S	.	.	H	α-helix	trans	-58.5	-50.3	175.6	-173.4	172.4	-179.8	170.5	0	111	N168 R198 R199 C204 R205 Q206	N168-K202 PolarHBondContact OD1-NZ 3.32Å; R198-K202 PolarHBondContact O-N 3.02Å; R199-K202 PolarHBondContact O-N 3.46Å; K202-C204 PolarHBondContact O-N 2.82Å; K202-R205 PolarHBondContact O-N 2.04Å; K202-Q206 WeakPolarHBondContact O-CB 3.48Å; K202-Q206 PolarHBondContact O-N 2.81Å
203	L	90	Very high	84.7	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-42.6	176.4	-69.8	170.3	0	0	0	112.5	R199 Q200 R205 Q206 Y207 Q351 F352	R199-L203 WeakPolarHBondContact O-CG 3.32Å; R199-L203 PolarHBondContact O-N 2.93Å; R199-L203 VanDerWaalsContact O-N 3.1Å; Q200-L203 PolarHBondContact O-N 2.88Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 2.77Å; L203-Q206 PolarHBondContact O-N 2.98Å; L203-Y207 HydrophobicContact CD2-CD2 4.47Å; L203-Y207 HydrophobicContact CD2-CE2 4.33Å; L203-Y207 WeakPolarHBondContact O-CB 3.37Å; L203-Y207 PolarHBondContact O-N 2.81Å; L203-Q351 HydrophobicContact CD1-CB 3.91Å; L203-Q351 WeakPolarHBondContact CD1-O 3.26Å; L203-F352 HydrophobicContact CB-CD2 4.26Å
204	C	90.5	Very high	86.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-42.2	177.9	179.7	0	0	0	0	111.9	C190 F196 Q200 K201 K202 Y207 L208 M211 F352	C190-C204 WeakPolarHBondContact CA-SG 2.99Å; C190-C204 HydrophobicContact CB-CB 3.76Å; C190-C204 WeakPolarHBondContact CB-SG 3.35Å; C190-C204 WeakPolarHBondContact SG-CB 3.44Å; C190-C204 CovalentContact SG-SG 2.03Å; C190-C204 PolarHBondContact SG-SG 2.8Å; F196-C204 HydrophobicContact CD2-CB 4.2Å; F196-C204 HydrophobicContact CE2-CB 4.28Å; Q200-C204 WeakPolarHBondContact O-CB 2.98Å; Q200-C204 PolarHBondContact O-N 3.32Å; K201-C204 PolarHBondContact O-N 3.05Å; K202-C204 PolarHBondContact O-N 2.82Å; C204-Y207 CarbonylContact O-C 3.48Å; C204-L208 WeakPolarHBondContact O-CA 3.33Å; C204-L208 PolarHBondContact O-N 2.92Å; C204-M211 HydrophobicContact CB-CG 4.34Å; C204-M211 HydrophobicContact CB-SD 3.78Å; C204-M211 VanDerWaalsContact SG-CG 3.57Å; C204-F352 HydrophobicContact CB-CE2 4.4Å
205	R	89.7	Confident	88.1	Confident	126 Å²	126	60.3 Å²	60.3	48%	0.475	28%	0.276	S	S	.	.	H	α-helix	trans	-70.5	-39.5	177.1	-69.7	173.1	-175.6	172.2	-1.8	112.1	C190 D191 K201 K202 L203	C190-R205 HydrophobicContact CB-CG 4.29Å; D191-R205 IonicContact OD1-NH2 3.63Å; D191-R205 PolarHBondContact OD1-NH2 2.77Å; D191-R205 IonicContact OD2-NH2 3.85Å; K201-R205 WeakPolarHBondContact O-CG 2.99Å; K201-R205 PolarHBondContact O-N 2.94Å; K202-R205 PolarHBondContact O-N 2.04Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 2.77Å
206	Q	87.3	Confident	89.4	Confident	90 Å²	90	67.6 Å²	67.6	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-37.6	177.8	-176.8	177.8	-4.5	0	0	112.3	K202 L203	K202-Q206 WeakPolarHBondContact O-CB 3.48Å; K202-Q206 PolarHBondContact O-N 2.81Å; L203-Q206 PolarHBondContact O-N 2.98Å
207	Y	88.6	Confident	90.2	Very high	33 Å²	33	64.8 Å²	64.8	13%	0.129	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	46.5	-176.1	-62.5	-82	0	0	0	111.4	L203 C204 H209 L210 F348	L203-Y207 HydrophobicContact CD2-CD2 4.47Å; L203-Y207 HydrophobicContact CD2-CE2 4.33Å; L203-Y207 WeakPolarHBondContact O-CB 3.37Å; L203-Y207 PolarHBondContact O-N 2.81Å; C204-Y207 CarbonylContact O-C 3.48Å; Y207-H209 VanDerWaalsContact C-N 3.26Å; Y207-H209 PolarHBondContact O-N 3.35Å; Y207-L210 HydrophobicContact CD1-CD1 3.77Å; Y207-L210 HydrophobicContact CG-CD1 4.16Å; Y207-L210 WeakPolarHBondContact O-CB 3.34Å; Y207-L210 PolarHBondContact O-N 3.27Å; Y207-F348 HydrophobicContact CD1-CE2 4.27Å; Y207-F348 AromaticContact CD2-CE2 3.72Å; Y207-F348 HydrophobicContact CD2-CE2 3.72Å; Y207-F348 HydrophobicContact CE2-CE2 4.41Å; Y207-F348 HydrophobicContact CG-CD2 4.48Å; Y207-F348 AromaticContact CG-CE2 3.63Å; Y207-F348 HydrophobicContact CG-CE2 3.63Å; Y207-F348 HydrophobicContact CG-CZ 4.48Å
208	L	86.9	Confident	90.6	Very high	84 Å²	84	65.7 Å²	65.7	44%	0.44	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-41.8	-174	-177	62.3	0	0	0	112.5	I189 C204 L210 M211	I189-L208 HydrophobicContact CG2-CD1 3.66Å; C204-L208 WeakPolarHBondContact O-CA 3.33Å; C204-L208 PolarHBondContact O-N 2.92Å; L208-L210 VanDerWaalsContact C-N 3.3Å; L208-L210 PolarHBondContact O-N 2.67Å; L208-M211 VanDerWaalsContact O-CB 3.3Å; L208-M211 WeakPolarHBondContact O-CB 3.2Å; L208-M211 WeakPolarHBondContact O-CG 3.47Å; L208-M211 PolarHBondContact O-N 3.02Å; L208-M211 VanDerWaalsContact O-N 3.13Å
209	H	85.7	Confident	91.1	Very high	136 Å²	136	64.1 Å²	64.1	63%	0.63	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.7	178.3	-59	-69.2	0	0	0	112.6	Y207 M211 H315	Y207-H209 VanDerWaalsContact C-N 3.26Å; Y207-H209 PolarHBondContact O-N 3.35Å; H209-M211 PolarHBondContact O-N 3.48Å; H209-H315 VanDerWaalsContact C-CE1 3.45Å; H209-H315 PolarHBondContact O-CE1 3.29Å; H209-H315 PolarHBondContact O-ND1 3.02Å
210	L	89.1	Confident	91.6	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-17.7	177.5	-64.9	-177.2	0	0	0	113.3	Y207 L208 E212 S213 V214 V306 H315 F344 F348	Y207-L210 HydrophobicContact CD1-CD1 3.77Å; Y207-L210 HydrophobicContact CG-CD1 4.16Å; Y207-L210 WeakPolarHBondContact O-CB 3.34Å; Y207-L210 PolarHBondContact O-N 3.27Å; L208-L210 VanDerWaalsContact C-N 3.3Å; L208-L210 PolarHBondContact O-N 2.67Å; L210-E212 VanDerWaalsContact C-N 3.28Å; L210-E212 PolarHBondContact O-N 3.44Å; L210-S213 WeakPolarHBondContact O-CB 3.39Å; L210-S213 PolarHBondContact O-N 3.26Å; L210-V214 WeakPolarHBondContact O-CG2 3.43Å; L210-V214 PolarHBondContact O-N 3.46Å; L210-V306 HydrophobicContact CD2-CG1 4.47Å; L210-H315 HydrophobicContact CD2-CB 3.97Å; L210-H315 WeakPolarHBondContact CD2-CD2 3.4Å; L210-F344 HydrophobicContact CD1-CE1 4.04Å; L210-F344 HydrophobicContact CD1-CZ 3.95Å; L210-F348 HydrophobicContact CB-CZ 4.36Å; L210-F348 HydrophobicContact CD1-CD2 3.75Å; L210-F348 HydrophobicContact CD1-CE2 3.71Å; L210-F348 HydrophobicContact CD1-CG 4.41Å; L210-F348 HydrophobicContact CD1-CZ 4.35Å
211	M	89.9	Confident	92	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-31.6	-173.7	-66.4	-63.2	99.5	0	0	113.5	I189 C204 L208 H209 S213 V214 I215 F348 F352	I189-M211 HydrophobicContact CG2-CB 4.34Å; I189-M211 HydrophobicContact CG2-CG 4.47Å; C204-M211 HydrophobicContact CB-CG 4.34Å; C204-M211 HydrophobicContact CB-SD 3.78Å; C204-M211 VanDerWaalsContact SG-CG 3.57Å; L208-M211 VanDerWaalsContact O-CB 3.3Å; L208-M211 WeakPolarHBondContact O-CB 3.2Å; L208-M211 WeakPolarHBondContact O-CG 3.47Å; L208-M211 PolarHBondContact O-N 3.02Å; L208-M211 VanDerWaalsContact O-N 3.13Å; H209-M211 PolarHBondContact O-N 3.48Å; M211-S213 VanDerWaalsContact C-N 3.34Å; M211-V214 HydrophobicContact CE-CB 4.5Å; M211-V214 HydrophobicContact CE-CG2 3.75Å; M211-V214 PolarHBondContact O-N 3.36Å; M211-I215 WeakPolarHBondContact O-CG1 3.49Å; M211-I215 PolarHBondContact O-N 3.12Å; M211-F348 HydrophobicContact CE-CE1 3.77Å; M211-F348 HydrophobicContact CE-CZ 3.37Å; M211-F352 HydrophobicContact CE-CE2 4.29Å; M211-F352 HydrophobicContact SD-CE2 3.97Å; M211-F352 HydrophobicContact SD-CZ 4.14Å
212	E	88.3	Confident	92.3	Very high	142 Å²	142	57.6 Å²	57.6	66%	0.664	26%	0.255	S	S	*	.	H	α-helix	trans	-62.3	-44.4	173.1	-173.5	-178.4	164.4	0	0	110.9	L210 V214 I215 R216	L210-E212 VanDerWaalsContact C-N 3.28Å; L210-E212 PolarHBondContact O-N 3.44Å; E212-V214 VanDerWaalsContact C-N 3.34Å; E212-V214 PolarHBondContact O-N 2.95Å; E212-I215 PolarHBondContact O-N 2.91Å; E212-R216 WeakPolarHBondContact O-CB 3.49Å; E212-R216 PolarHBondContact O-N 3.48Å
213	S	94	Very high	92.7	Very high	5 Å²	5	59.2 Å²	59.2	4%	0.035	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-34.6	176.8	-53.1	0	0	0	0	112.3	L210 M211 G217 A305 A309 H315	L210-S213 WeakPolarHBondContact O-CB 3.39Å; L210-S213 PolarHBondContact O-N 3.26Å; M211-S213 VanDerWaalsContact C-N 3.34Å; S213-G217 PolarHBondContact O-N 3.36Å; S213-A305 WeakPolarHBondContact O-CB 3.32Å; S213-A309 WeakPolarHBondContact OG-CB 3.4Å; S213-H315 PolarHBondContact OG-NE2 3.47Å
214	V	94.5	Very high	93.1	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-47.7	172.6	174.9	0	0	0	0	110.9	L210 M211 E212 G217 Y218 V302 V306 F348 F352	L210-V214 WeakPolarHBondContact O-CG2 3.43Å; L210-V214 PolarHBondContact O-N 3.46Å; M211-V214 HydrophobicContact CE-CB 4.5Å; M211-V214 HydrophobicContact CE-CG2 3.75Å; M211-V214 PolarHBondContact O-N 3.36Å; E212-V214 VanDerWaalsContact C-N 3.34Å; E212-V214 PolarHBondContact O-N 2.95Å; V214-G217 PolarHBondContact O-N 3.02Å; V214-Y218 WeakPolarHBondContact O-CB 3.01Å; V214-Y218 PolarHBondContact O-N 2.77Å; V214-V302 HydrophobicContact CG1-CG1 4.23Å; V214-V302 HydrophobicContact CG1-CG2 4.29Å; V214-V302 HydrophobicContact CG2-CG1 4.29Å; V214-V306 HydrophobicContact CG2-CG2 4.02Å; V214-F348 HydrophobicContact CG2-CD1 4.04Å; V214-F348 HydrophobicContact CG2-CE1 3.41Å; V214-F348 VanDerWaalsContact CG2-CE1 3.41Å; V214-F348 HydrophobicContact CG2-CZ 4.32Å; V214-F352 HydrophobicContact CG1-CD1 4.04Å; V214-F352 HydrophobicContact CG1-CE1 3.86Å
215	I	92.6	Very high	93.5	Very high	69 Å²	69	59.2 Å²	59.2	35%	0.354	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-46.9	179.3	-70	168.4	0	0	0	110.5	I189 M211 E212 G217 Y218 F219	I189-I215 HydrophobicContact CD1-CD1 3.28Å; I189-I215 HydrophobicContact CG1-CD1 4.18Å; M211-I215 WeakPolarHBondContact O-CG1 3.49Å; M211-I215 PolarHBondContact O-N 3.12Å; E212-I215 PolarHBondContact O-N 2.91Å; I215-G217 VanDerWaalsContact C-N 3.32Å; I215-G217 PolarHBondContact O-N 3.13Å; I215-Y218 PolarHBondContact O-N 3.23Å; I215-F219 HydrophobicContact CG2-CD2 3.73Å; I215-F219 HydrophobicContact CG2-CE2 3.79Å; I215-F219 VanDerWaalsContact O-CD2 3.32Å; I215-F219 WeakPolarHBondContact O-CD2 3.4Å; I215-F219 PolarHBondContact O-N 3.19Å
216	R	95	Very high	93.9	Very high	184 Å²	184	55 Å²	55	69%	0.694	25%	0.247	S	C	*	.	H	α-helix	trans	-56	-46.8	175.3	-178.2	-178.4	173.8	119.8	0.8	111.3	E212 F219 M220	E212-R216 WeakPolarHBondContact O-CB 3.49Å; E212-R216 PolarHBondContact O-N 3.48Å; R216-F219 PolarHBondContact O-N 3.29Å; R216-M220 VanDerWaalsContact O-CB 3.27Å; R216-M220 WeakPolarHBondContact O-CB 3.38Å; R216-M220 PolarHBondContact O-N 2.91Å
217	G	98.1	Very high	94.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.6	-40.4	179	0	0	0	0	0	113.5	S213 V214 I215 M220 G221 G301	S213-G217 PolarHBondContact O-N 3.36Å; V214-G217 PolarHBondContact O-N 3.02Å; I215-G217 VanDerWaalsContact C-N 3.32Å; I215-G217 PolarHBondContact O-N 3.13Å; G217-M220 PolarHBondContact O-N 3.4Å; G217-G221 PolarHBondContact O-N 3.15Å; G217-G301 VanDerWaalsContact CA-C 3.49Å; G217-G301 WeakPolarHBondContact CA-O 3.23Å; G217-G301 CarbonylContact O-C 3.56Å; G217-G301 WeakPolarHBondContact O-CA 3.22Å
218	Y	96.9	Very high	94.8	Very high	69 Å²	69	56.5 Å²	56.5	27%	0.271	25%	0.251	S	S	.	.	H	α-helix	trans	-59.9	-48.6	175	-178.2	-100.3	0	0	0	111.6	V214 I215 G221 L222 L280 T298	V214-Y218 WeakPolarHBondContact O-CB 3.01Å; V214-Y218 PolarHBondContact O-N 2.77Å; I215-Y218 PolarHBondContact O-N 3.23Å; Y218-G221 PolarHBondContact O-N 3.1Å; Y218-L222 HydrophobicContact CD1-CD1 3.93Å; Y218-L222 HydrophobicContact CE1-CD1 3.39Å; Y218-L222 HydrophobicContact CE1-CG 4.26Å; Y218-L222 PolarHBondContact O-N 2.95Å; Y218-L222 VanDerWaalsContact O-N 3.09Å; Y218-L280 WeakPolarHBondContact OH-CD2 3.35Å; Y218-T298 HydrophobicContact CD2-CG2 4Å; Y218-T298 HydrophobicContact CE2-CG2 3.88Å
219	F	97.6	Very high	95.3	Very high	97 Å²	97	52.5 Å²	52.5	43%	0.425	23%	0.231	S	C	.	.	H	α-helix	trans	-71.9	-31.4	178.1	-78.1	-65.6	0	0	0	113.4	I215 R216 G221 L222 K223	I215-F219 HydrophobicContact CG2-CD2 3.73Å; I215-F219 HydrophobicContact CG2-CE2 3.79Å; I215-F219 VanDerWaalsContact O-CD2 3.32Å; I215-F219 WeakPolarHBondContact O-CD2 3.4Å; I215-F219 PolarHBondContact O-N 3.19Å; R216-F219 PolarHBondContact O-N 3.29Å; F219-G221 VanDerWaalsContact C-N 3.29Å; F219-G221 PolarHBondContact O-N 2.97Å; F219-L222 HydrophobicContact CD1-CD1 4.11Å; F219-L222 HydrophobicContact CE1-CD1 4.3Å; F219-L222 PolarHBondContact O-N 3.05Å; F219-K223 WeakPolarHBondContact O-CB 3.26Å; F219-K223 WeakPolarHBondContact O-CG 3.13Å; F219-K223 PolarHBondContact O-N 2.89Å
220	M	98.4	Very high	95.8	Very high	50 Å²	50	49.7 Å²	49.7	25%	0.246	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-44.3	170.1	-178.5	176.5	69.8	0	0	110.8	R216 G217 K223 E224 G301 H304 A305 F411	R216-M220 VanDerWaalsContact O-CB 3.27Å; R216-M220 WeakPolarHBondContact O-CB 3.38Å; R216-M220 PolarHBondContact O-N 2.91Å; G217-M220 PolarHBondContact O-N 3.4Å; M220-K223 PolarHBondContact O-N 3.49Å; M220-E224 WeakPolarHBondContact O-CB 3.34Å; M220-E224 PolarHBondContact O-N 3.32Å; M220-G301 WeakPolarHBondContact CE-O 3.29Å; M220-H304 HydrophobicContact CE-CB 3.84Å; M220-A305 HydrophobicContact CE-CB 4.26Å; M220-F411 HydrophobicContact CE-CD1 4.32Å; M220-F411 HydrophobicContact CE-CD2 3.6Å; M220-F411 HydrophobicContact CE-CE1 4.35Å; M220-F411 HydrophobicContact CE-CE2 3.68Å; M220-F411 HydrophobicContact CE-CG 3.95Å; M220-F411 HydrophobicContact CE-CZ 4.06Å; M220-F411 HydrophobicContact CG-CD1 3.76Å; M220-F411 HydrophobicContact CG-CE1 3.91Å; M220-F411 HydrophobicContact CG-CG 4.18Å; M220-F411 HydrophobicContact CG-CZ 4.46Å; M220-F411 HydrophobicContact SD-CB 4.39Å; M220-F411 HydrophobicContact SD-CD1 4.25Å; M220-F411 HydrophobicContact SD-CD2 4.29Å; M220-F411 HydrophobicContact SD-CG 4.04Å
221	G	98.6	Very high	96	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-46.6	173.8	0	0	0	0	0	113.2	G217 Y218 F219 E224 C225	G217-G221 PolarHBondContact O-N 3.15Å; Y218-G221 PolarHBondContact O-N 3.1Å; F219-G221 VanDerWaalsContact C-N 3.29Å; F219-G221 PolarHBondContact O-N 2.97Å; G221-E224 PolarHBondContact O-N 3.24Å; G221-C225 WeakPolarHBondContact O-CB 3.29Å; G221-C225 PolarHBondContact O-N 2.87Å
222	L	98.1	Very high	96.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-37.8	177.9	-69.3	177.8	0	0	0	112.9	Y218 F219 C225 E226 H239 L280 V294 T298	Y218-L222 HydrophobicContact CD1-CD1 3.93Å; Y218-L222 HydrophobicContact CE1-CD1 3.39Å; Y218-L222 HydrophobicContact CE1-CG 4.26Å; Y218-L222 PolarHBondContact O-N 2.95Å; Y218-L222 VanDerWaalsContact O-N 3.09Å; F219-L222 HydrophobicContact CD1-CD1 4.11Å; F219-L222 HydrophobicContact CE1-CD1 4.3Å; F219-L222 PolarHBondContact O-N 3.05Å; L222-C225 WeakPolarHBondContact O-CB 3.42Å; L222-C225 PolarHBondContact O-N 3.35Å; L222-E226 WeakPolarHBondContact O-CG 3.33Å; L222-E226 PolarHBondContact O-N 3.33Å; L222-H239 HydrophobicContact CD1-CB 3.89Å; L222-L280 HydrophobicContact CD1-CD2 4.5Å; L222-L280 HydrophobicContact CD2-CD2 4.08Å; L222-V294 HydrophobicContact CD2-CG1 4.39Å; L222-T298 HydrophobicContact CD2-CG2 3.9Å; L222-T298 HydrophobicContact CG-CG2 4.04Å
223	K	97.6	Very high	96.7	Very high	126 Å²	126	47.8 Å²	47.8	55%	0.548	22%	0.219	S	C	.	.	H	α-helix	trans	-67.6	-40.2	176.6	-75.8	-59.2	-177.5	-171.3	0	112.8	F219 M220 C225 E226 Y227	F219-K223 WeakPolarHBondContact O-CB 3.26Å; F219-K223 WeakPolarHBondContact O-CG 3.13Å; F219-K223 PolarHBondContact O-N 2.89Å; M220-K223 PolarHBondContact O-N 3.49Å; K223-C225 VanDerWaalsContact C-N 3.29Å; K223-C225 PolarHBondContact O-N 2.78Å; K223-E226 WeakPolarHBondContact CD-OE2 3.05Å; K223-E226 IonicContact NZ-OE1 3.8Å; K223-E226 IonicContact NZ-OE2 3.42Å; K223-E226 PolarHBondContact NZ-OE2 2.99Å; K223-E226 PolarHBondContact O-N 2.92Å; K223-Y227 PolarHBondContact O-N 2.8Å
224	E	98.6	Very high	96.8	Very high	15 Å²	15	48.3 Å²	48.3	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-37.7	172.4	-172.8	55.9	-146.1	0	0	111.2	M220 G221 Y227 Q228 V297 F411 R412	M220-E224 WeakPolarHBondContact O-CB 3.34Å; M220-E224 PolarHBondContact O-N 3.32Å; G221-E224 PolarHBondContact O-N 3.24Å; E224-Y227 WeakPolarHBondContact O-CB 3.06Å; E224-Y227 PolarHBondContact O-N 2.79Å; E224-Q228 HydrophobicContact CG-CG 4.41Å; E224-Q228 VanDerWaalsContact O-CG 3.27Å; E224-Q228 WeakPolarHBondContact O-CG 3.36Å; E224-Q228 PolarHBondContact O-N 2.92Å; E224-Q228 WeakPolarHBondContact OE1-CG 3.44Å; E224-Q228 PolarHBondContact OE1-NE2 3.07Å; E224-V297 HydrophobicContact CB-CG2 4.42Å; E224-F411 HydrophobicContact CB-CD1 3.93Å; E224-F411 HydrophobicContact CB-CE1 3.68Å; E224-F411 HydrophobicContact CG-CD1 4.04Å; E224-F411 HydrophobicContact CG-CE1 4.03Å; E224-R412 VanDerWaalsContact OE1-CD 3.22Å; E224-R412 WeakPolarHBondContact OE1-CD 3.49Å; E224-R412 IonicContact OE1-NE 2.6Å; E224-R412 PolarHBondContact OE1-NE 3.2Å; E224-R412 IonicContact OE2-CZ 3.58Å; E224-R412 IonicContact OE2-NE 2.67Å; E224-R412 PolarHBondContact OE2-NE 2.77Å; E224-R412 IonicContact OE2-NH2 3.91Å
225	C	98.6	Very high	96.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-45.5	174.1	-169.5	0	0	0	0	113.1	G221 L222 K223 Y227 Q228 F229 C236 Y293 V297	G221-C225 WeakPolarHBondContact O-CB 3.29Å; G221-C225 PolarHBondContact O-N 2.87Å; L222-C225 WeakPolarHBondContact O-CB 3.42Å; L222-C225 PolarHBondContact O-N 3.35Å; K223-C225 VanDerWaalsContact C-N 3.29Å; K223-C225 PolarHBondContact O-N 2.78Å; C225-Y227 VanDerWaalsContact C-N 3.26Å; C225-Y227 PolarHBondContact O-N 3.5Å; C225-Q228 PolarHBondContact O-N 3.13Å; C225-F229 WeakPolarHBondContact O-CD2 3.12Å; C225-F229 PolarHBondContact O-N 3.29Å; C225-F229 VanDerWaalsContact O-N 3.1Å; C225-C236 HydrophobicContact CB-CB 3.7Å; C225-C236 WeakPolarHBondContact CB-SG 3.46Å; C225-C236 WeakPolarHBondContact SG-CB 3.42Å; C225-C236 CovalentContact SG-SG 2.01Å; C225-C236 PolarHBondContact SG-SG 2.6Å; C225-Y293 HydrophobicContact CB-CD1 4.37Å; C225-Y293 HydrophobicContact CB-CE1 3.78Å; C225-Y293 VanDerWaalsContact SG-CD1 3.57Å; C225-Y293 VanDerWaalsContact SG-CE1 3.55Å; C225-V297 HydrophobicContact CB-CG1 4.07Å
226	E	97.4	Very high	97	Very high	36 Å²	36	45.2 Å²	45.2	17%	0.168	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-39.8	173.5	-74.1	174	-168.8	0	0	111.4	L222 K223 S230 C236 Q237 H239	L222-E226 WeakPolarHBondContact O-CG 3.33Å; L222-E226 PolarHBondContact O-N 3.33Å; K223-E226 WeakPolarHBondContact CD-OE2 3.05Å; K223-E226 IonicContact NZ-OE1 3.8Å; K223-E226 IonicContact NZ-OE2 3.42Å; K223-E226 PolarHBondContact NZ-OE2 2.99Å; K223-E226 PolarHBondContact O-N 2.92Å; E226-S230 WeakPolarHBondContact O-CA 3.18Å; E226-S230 WeakPolarHBondContact O-CB 3.49Å; E226-S230 PolarHBondContact O-N 2.88Å; E226-S230 VanDerWaalsContact O-N 3.07Å; E226-C236 HydrophobicContact CG-CB 4.48Å; E226-Q237 HydrophobicContact CG-CG 4.34Å; E226-H239 IonicContact OE1-CD2 2.97Å; E226-H239 IonicContact OE1-CE1 2.65Å; E226-H239 IonicContact OE1-NE2 3.73Å; E226-H239 PolarHBondContact OE1-NE2 2.64Å
227	Y	97.8	Very high	96.9	Very high	124 Å²	124	41 Å²	41	49%	0.486	19%	0.192	S	C	.	.	H	α-helix	trans	-64.9	-55.3	177.9	179.8	-92.3	0	0	0	111.9	K223 E224 C225 F229 S230 R412	K223-Y227 PolarHBondContact O-N 2.8Å; E224-Y227 WeakPolarHBondContact O-CB 3.06Å; E224-Y227 PolarHBondContact O-N 2.79Å; C225-Y227 VanDerWaalsContact C-N 3.26Å; C225-Y227 PolarHBondContact O-N 3.5Å; Y227-F229 PolarHBondContact O-N 2.85Å; Y227-S230 WeakPolarHBondContact O-CB 3.2Å; Y227-S230 PolarHBondContact O-N 2.74Å; Y227-S230 PolarHBondContact O-OG 3.05Å; Y227-R412 PolarHBondContact OH-NH1 2.95Å
228	Q	97.6	Very high	96.4	Very high	32 Å²	32	41 Å²	41	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-32.8	-176.6	-67.7	-65.9	-20.1	0	0	112.8	E224 C225 Y293 Q419	E224-Q228 HydrophobicContact CG-CG 4.41Å; E224-Q228 VanDerWaalsContact O-CG 3.27Å; E224-Q228 WeakPolarHBondContact O-CG 3.36Å; E224-Q228 PolarHBondContact O-N 2.92Å; E224-Q228 WeakPolarHBondContact OE1-CG 3.44Å; E224-Q228 PolarHBondContact OE1-NE2 3.07Å; C225-Q228 PolarHBondContact O-N 3.13Å; Q228-Y293 WeakPolarHBondContact CG-OH 3.28Å; Q228-Q419 HydrophobicContact CB-CB 4.48Å; Q228-Q419 HydrophobicContact CB-CG 4.31Å
229	F	97.3	Very high	95.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	11.5	-176.6	-67.9	-80.7	0	0	0	114.2	C225 Y227 A231 H232 W234 N235 Y293 Q419 F422	C225-F229 WeakPolarHBondContact O-CD2 3.12Å; C225-F229 PolarHBondContact O-N 3.29Å; C225-F229 VanDerWaalsContact O-N 3.1Å; Y227-F229 PolarHBondContact O-N 2.85Å; F229-A231 PolarHBondContact O-N 2.67Å; F229-A231 VanDerWaalsContact O-N 3.13Å; F229-H232 HydrophobicContact CB-CB 4.3Å; F229-H232 HydrophobicContact CD1-CB 4.05Å; F229-H232 AromaticContact CD1-CD2 3.85Å; F229-H232 AromaticContact CD1-CE1 3.99Å; F229-H232 AromaticContact CD1-CG 3.67Å; F229-H232 AromaticContact CD1-ND1 3.76Å; F229-H232 WeakPolarHBondContact O-CB 3.48Å; F229-H232 PolarHBondContact O-N 2.75Å; F229-W234 HydrophobicContact CB-CE3 4.28Å; F229-W234 HydrophobicContact CB-CZ3 4.33Å; F229-W234 AromaticContact CD1-CE3 3.85Å; F229-W234 HydrophobicContact CD1-CE3 3.85Å; F229-W234 AromaticContact CD1-CZ3 3.82Å; F229-W234 HydrophobicContact CD1-CZ3 3.82Å; F229-W234 HydrophobicContact CD2-CE3 4.36Å; F229-W234 HydrophobicContact CD2-CH2 4.31Å; F229-W234 AromaticContact CD2-CZ3 3.64Å; F229-W234 HydrophobicContact CD2-CZ3 3.64Å; F229-W234 HydrophobicContact CE1-CE3 4.31Å; F229-W234 HydrophobicContact CE1-CZ3 4.01Å; F229-W234 AromaticContact CE2-CZ3 3.84Å; F229-W234 HydrophobicContact CE2-CZ3 3.84Å; F229-W234 AromaticContact CG-CE3 3.89Å; F229-W234 HydrophobicContact CG-CE3 3.89Å; F229-W234 AromaticContact CG-CZ3 3.64Å; F229-W234 HydrophobicContact CG-CZ3 3.64Å; F229-W234 HydrophobicContact CZ-CZ3 4.02Å; F229-N235 WeakPolarHBondContact O-CA 2.81Å; F229-N235 WeakPolarHBondContact O-CB 3.4Å; F229-Y293 HydrophobicContact CD2-CD1 4.27Å; F229-Y293 HydrophobicContact CD2-CE1 4.13Å; F229-Y293 AromaticContact CE2-CD1 3.53Å; F229-Y293 HydrophobicContact CE2-CD1 3.53Å; F229-Y293 AromaticContact CE2-CD2 3.75Å; F229-Y293 HydrophobicContact CE2-CD2 3.75Å; F229-Y293 AromaticContact CE2-CE1 3.55Å; F229-Y293 HydrophobicContact CE2-CE1 3.55Å; F229-Y293 AromaticContact CE2-CE2 3.73Å; F229-Y293 HydrophobicContact CE2-CE2 3.73Å; F229-Y293 AromaticContact CE2-CG 3.64Å; F229-Y293 HydrophobicContact CE2-CG 3.64Å; F229-Y293 AromaticContact CE2-CZ 3.65Å; F229-Y293 HydrophobicContact CZ-CD1 4.37Å; F229-Y293 AromaticContact CZ-CD2 3.97Å; F229-Y293 HydrophobicContact CZ-CD2 3.97Å; F229-Y293 HydrophobicContact CZ-CE2 4.21Å; F229-Y293 HydrophobicContact CZ-CG 4.04Å; F229-Q419 HydrophobicContact CE2-CG 4.48Å; F229-Q419 HydrophobicContact CZ-CG 4.09Å; F229-F422 AromaticContact CE1-CD1 3.63Å; F229-F422 HydrophobicContact CE1-CD1 3.63Å; F229-F422 HydrophobicContact CE1-CD2 4.35Å; F229-F422 AromaticContact CE1-CE1 3.48Å; F229-F422 HydrophobicContact CE1-CE1 3.48Å; F229-F422 VanDerWaalsContact CE1-CE1 3.48Å; F229-F422 HydrophobicContact CE1-CE2 4.18Å; F229-F422 HydrophobicContact CE1-CG 4.08Å; F229-F422 AromaticContact CE1-CZ 3.77Å; F229-F422 HydrophobicContact CE1-CZ 3.77Å; F229-F422 HydrophobicContact CZ-CB 4.26Å; F229-F422 AromaticContact CZ-CD1 3.7Å; F229-F422 HydrophobicContact CZ-CD1 3.7Å; F229-F422 AromaticContact CZ-CD2 3.99Å; F229-F422 HydrophobicContact CZ-CD2 3.99Å; F229-F422 HydrophobicContact CZ-CE1 4Å; F229-F422 HydrophobicContact CZ-CE2 4.22Å; F229-F422 AromaticContact CZ-CG 3.71Å; F229-F422 HydrophobicContact CZ-CG 3.71Å; F229-F422 HydrophobicContact CZ-CZ 4.24Å
230	S	94.9	Very high	95.3	Very high	76 Å²	76	40.3 Å²	40.3	53%	0.531	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.2	-178.2	56.6	0	0	0	0	114.1	E226 Y227 R523	E226-S230 WeakPolarHBondContact O-CA 3.18Å; E226-S230 WeakPolarHBondContact O-CB 3.49Å; E226-S230 PolarHBondContact O-N 2.88Å; E226-S230 VanDerWaalsContact O-N 3.07Å; Y227-S230 WeakPolarHBondContact O-CB 3.2Å; Y227-S230 PolarHBondContact O-N 2.74Å; Y227-S230 PolarHBondContact O-OG 3.05Å; S230-R523 PolarHBondContact O-NH2 2.85Å
231	A	94.1	Very high	94.9	Very high	28 Å²	28	41.6 Å²	41.6	23%	0.231	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.3	177.3	0	0	0	0	0	114.4	F229 L532 N533	F229-A231 PolarHBondContact O-N 2.67Å; F229-A231 VanDerWaalsContact O-N 3.13Å; A231-L532 HydrophobicContact CB-CB 4.27Å; A231-L532 CarbonylContact O-C 3.41Å; A231-N533 HydrophobicContact CB-CB 3.91Å
232	H	96.5	Very high	94.3	Very high	21 Å²	21	45.3 Å²	45.3	10%	0.097	23%	0.227	C	C	.	.	S	Bend	trans	-86.8	155.3	-175.6	-70	72.6	0	0	0	111.3	F229 W234 H423 R523 L532	F229-H232 HydrophobicContact CB-CB 4.3Å; F229-H232 HydrophobicContact CD1-CB 4.05Å; F229-H232 AromaticContact CD1-CD2 3.85Å; F229-H232 AromaticContact CD1-CE1 3.99Å; F229-H232 AromaticContact CD1-CG 3.67Å; F229-H232 AromaticContact CD1-ND1 3.76Å; F229-H232 WeakPolarHBondContact O-CB 3.48Å; F229-H232 PolarHBondContact O-N 2.75Å; H232-W234 VanDerWaalsContact C-N 3.28Å; H232-W234 CarbonylContact C-O 3.51Å; H232-W234 WeakPolarHBondContact CB-O 3.35Å; H232-W234 CarbonylContact O-C 3.54Å; H232-W234 PolarHBondContact O-N 2.79Å; H232-H423 AromaticContact NE2-CE1 3.97Å; H232-H423 AromaticContact NE2-NE2 3.67Å; H232-R523 PolarHBondContact O-NH1 2.03Å; H232-R523 PolarHBondContact O-NH2 2.88Å; H232-L532 VanDerWaalsContact NE2-CD1 3.32Å; H232-L532 WeakPolarHBondContact NE2-CD1 3.28Å
233	R	96.4	Very high	93.6	Very high	62 Å²	62	46.2 Å²	46.2	23%	0.234	23%	0.232	C	C	.	.	S	Bend	trans	-58.1	-39.6	176.2	-66.6	179.4	-176.4	169.9	2.1	112.7	T507 F508 T520 R523 Y537 L538	R233-T507 WeakPolarHBondContact CD-O 3.28Å; R233-F508 HydrophobicContact CB-CB 4.11Å; R233-T520 HydrophobicContact CB-CG2 4.05Å; R233-T520 HydrophobicContact CG-CG2 4.21Å; R233-R523 VanDerWaalsContact C-NH1 3.32Å; R233-R523 PolarHBondContact O-NH1 2.85Å; R233-Y537 HydrophobicContact CG-CD1 4.42Å; R233-Y537 HydrophobicContact CG-CE1 3.8Å; R233-Y537 PolarHBondContact NE-O 3.45Å; R233-Y537 PolarHBondContact NH2-O 2.76Å; R233-L538 HydrophobicContact CG-CD1 4.41Å
234	W	96.7	Very high	92.6	Very high	16 Å²	16	48.5 Å²	48.5	6%	0.061	25%	0.245	C	C	.	.	S	Bend	trans	-90.9	126.1	161.1	174	75.8	0	0	0	109.1	F229 H232 C236 L283 E290 V294 F422 F508	F229-W234 HydrophobicContact CB-CE3 4.28Å; F229-W234 HydrophobicContact CB-CZ3 4.33Å; F229-W234 AromaticContact CD1-CE3 3.85Å; F229-W234 HydrophobicContact CD1-CE3 3.85Å; F229-W234 AromaticContact CD1-CZ3 3.82Å; F229-W234 HydrophobicContact CD1-CZ3 3.82Å; F229-W234 HydrophobicContact CD2-CE3 4.36Å; F229-W234 HydrophobicContact CD2-CH2 4.31Å; F229-W234 AromaticContact CD2-CZ3 3.64Å; F229-W234 HydrophobicContact CD2-CZ3 3.64Å; F229-W234 HydrophobicContact CE1-CE3 4.31Å; F229-W234 HydrophobicContact CE1-CZ3 4.01Å; F229-W234 AromaticContact CE2-CZ3 3.84Å; F229-W234 HydrophobicContact CE2-CZ3 3.84Å; F229-W234 AromaticContact CG-CE3 3.89Å; F229-W234 HydrophobicContact CG-CE3 3.89Å; F229-W234 AromaticContact CG-CZ3 3.64Å; F229-W234 HydrophobicContact CG-CZ3 3.64Å; F229-W234 HydrophobicContact CZ-CZ3 4.02Å; H232-W234 VanDerWaalsContact C-N 3.28Å; H232-W234 CarbonylContact C-O 3.51Å; H232-W234 WeakPolarHBondContact CB-O 3.35Å; H232-W234 CarbonylContact O-C 3.54Å; H232-W234 PolarHBondContact O-N 2.79Å; W234-C236 HydrophobicContact CH2-CB 4.02Å; W234-C236 HydrophobicContact CZ2-CB 3.85Å; W234-L283 HydrophobicContact CZ2-CD2 3.86Å; W234-E290 HydrophobicContact CB-CG 4.11Å; W234-E290 HydrophobicContact CD2-CB 3.68Å; W234-E290 HydrophobicContact CD2-CG 3.31Å; W234-E290 HydrophobicContact CE3-CB 3.84Å; W234-E290 HydrophobicContact CE3-CG 3.4Å; W234-E290 HydrophobicContact CG-CB 4.3Å; W234-E290 HydrophobicContact CG-CG 3.63Å; W234-E290 HydrophobicContact CH2-CB 3.85Å; W234-E290 HydrophobicContact CH2-CG 4.36Å; W234-E290 HydrophobicContact CZ2-CB 3.72Å; W234-E290 HydrophobicContact CZ2-CG 4.32Å; W234-E290 HydrophobicContact CZ3-CB 3.91Å; W234-E290 HydrophobicContact CZ3-CG 3.92Å; W234-V294 HydrophobicContact CH2-CG2 3.77Å; W234-V294 HydrophobicContact CZ2-CG2 3.61Å; W234-F422 HydrophobicContact CZ3-CE2 4.5Å; W234-F508 HydrophobicContact CB-CB 4.32Å; W234-F508 HydrophobicContact CB-CD1 4.02Å; W234-F508 HydrophobicContact CB-CD2 3.74Å; W234-F508 HydrophobicContact CB-CE1 4.22Å; W234-F508 HydrophobicContact CB-CE2 3.95Å; W234-F508 HydrophobicContact CB-CG 3.77Å; W234-F508 HydrophobicContact CB-CZ 4.18Å; W234-F508 AromaticContact CD1-CE1 3.78Å; W234-F508 HydrophobicContact CG-CD1 4.39Å; W234-F508 HydrophobicContact CG-CE1 4.22Å; W234-F508 HydrophobicContact CG-CE2 4.45Å; W234-F508 HydrophobicContact CG-CZ 4.25Å
235	N	95.2	Very high	90.7	Very high	10 Å²	10	52.6 Å²	52.6	5%	0.053	27%	0.271	C	S	.	.			trans	-124.2	23.8	-171.5	66	-11.9	0	0	0	113.5	F229 Q237	F229-N235 WeakPolarHBondContact O-CA 2.81Å; F229-N235 WeakPolarHBondContact O-CB 3.4Å; N235-Q237 PolarHBondContact ND2-NE2 3.13Å; N235-Q237 PolarHBondContact ND2-OE1 3.17Å; N235-Q237 PolarHBondContact O-N 3Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.35Å; N235-Q237 PolarHBondContact OD1-N 2.89Å
236	C	96	Very high	88.3	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.02	30%	0.303	C	S	.	.	S	Bend	trans	56.6	21	179.9	-151.1	0	0	0	0	116.6	C225 E226 W234	C225-C236 HydrophobicContact CB-CB 3.7Å; C225-C236 WeakPolarHBondContact CB-SG 3.46Å; C225-C236 WeakPolarHBondContact SG-CB 3.42Å; C225-C236 CovalentContact SG-SG 2.01Å; C225-C236 PolarHBondContact SG-SG 2.6Å; E226-C236 HydrophobicContact CG-CB 4.48Å; W234-C236 HydrophobicContact CH2-CB 4.02Å; W234-C236 HydrophobicContact CZ2-CB 3.85Å
237	Q	92.8	Very high	85.9	Confident	95 Å²	95	61.4 Å²	61.4	44%	0.444	33%	0.331	S	S	.	.			trans	-88.1	171.8	173	-67.8	179.7	-9.8	0	0	111.8	E226 N235 I518	E226-Q237 HydrophobicContact CG-CG 4.34Å; N235-Q237 PolarHBondContact ND2-NE2 3.13Å; N235-Q237 PolarHBondContact ND2-OE1 3.17Å; N235-Q237 PolarHBondContact O-N 3Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.35Å; N235-Q237 PolarHBondContact OD1-N 2.89Å; Q237-I518 HydrophobicContact CB-CD1 3.77Å
238	G	87.9	Confident	83.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.345	C	S	.	.			trans	97.5	1.1	174.8	0	0	0	0	0	115.5	N240 L241	G238-N240 PolarHBondContact O-N 3.18Å; G238-L241 PolarHBondContact O-N 3.23Å; G238-L241 VanDerWaalsContact O-N 3.13Å
239	H	86.9	Confident	81	Confident	34 Å²	34	66.5 Å²	66.5	16%	0.157	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.2	171.3	61.5	80.6	0	0	0	113	L222 E226 T278 L280	L222-H239 HydrophobicContact CD1-CB 3.89Å; E226-H239 IonicContact OE1-CD2 2.97Å; E226-H239 IonicContact OE1-CE1 2.65Å; E226-H239 IonicContact OE1-NE2 3.73Å; E226-H239 PolarHBondContact OE1-NE2 2.64Å; H239-T278 WeakPolarHBondContact O-CG2 3.07Å; H239-L280 HydrophobicContact CB-CB 4.19Å; H239-L280 HydrophobicContact CB-CD2 3.78Å
240	N	84.8	Confident	78.6	Confident	119 Å²	119	77 Å²	77	64%	0.636	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	0.5	174.8	63.6	-19.7	0	0	0	113.8	G238	G238-N240 PolarHBondContact O-N 3.18Å
241	L	88.9	Confident	76	Confident	77 Å²	77	82.5 Å²	82.5	40%	0.403	43%	0.431	S	S	.	.			trans	-101.1	125.4	-179.7	-60.8	-179.4	0	0	0	109.8	G238 T278 Y279 I518	G238-L241 PolarHBondContact O-N 3.23Å; G238-L241 VanDerWaalsContact O-N 3.13Å; L241-T278 WeakPolarHBondContact O-CA 3.43Å; L241-T278 WeakPolarHBondContact O-CB 3.43Å; L241-Y279 HydrophobicContact CB-CD2 3.52Å; L241-Y279 HydrophobicContact CB-CE2 3.83Å; L241-Y279 HydrophobicContact CB-CG 4.44Å; L241-Y279 WeakPolarHBondContact O-CD2 3.33Å; L241-Y279 PolarHBondContact O-N 3.13Å; L241-Y279 VanDerWaalsContact O-N 3.12Å; L241-I518 HydrophobicContact CD1-CG2 3.85Å
242	T	86.1	Confident	73.5	Confident	78 Å²	78	90.3 Å²	90.3	48%	0.479	46%	0.463	S	S	.	.	B	Isolated β-bridge	trans	-85.3	138	174	58.7	0	0	0	0	109.9	Q244 I276	T242-Q244 PolarHBondContact O-N 2.78Å; T242-I276 HydrophobicContact CG2-CG2 3.44Å; T242-I276 VanDerWaalsContact CG2-CG2 3.44Å
243	V	83.4	Confident	70.7	Confident	18 Å²	18	98.3 Å²	98.3	11%	0.109	50%	0.498	C	S	.	.			trans	-76.7	104.7	171.1	178.2	0	0	0	0	106.7	T245 Q277 Y279 K282 P513	V243-T245 VanDerWaalsContact C-N 3.34Å; V243-T245 PolarHBondContact O-N 2.99Å; V243-Q277 PolarHBondContact N-O 3.38Å; V243-Y279 HydrophobicContact CG2-CD2 3.81Å; V243-Y279 HydrophobicContact CG2-CE2 3.93Å; V243-Y279 HydrophobicContact CG2-CG 4.19Å; V243-K282 HydrophobicContact CG2-CG 3.97Å; V243-P513 HydrophobicContact CG1-CB 3.87Å; V243-P513 HydrophobicContact CG2-CB 4.41Å
244	Q	77.6	Confident	67.9	Low	174 Å²	174	106.5 Å²	106.5	81%	0.813	53%	0.529	S	S	*	.			trans	-60	102.3	168.7	-65.5	-174.2	7.1	0	0	107.4	T242 P246	T242-Q244 PolarHBondContact O-N 2.78Å; Q244-P246 WeakPolarHBondContact O-CD 3.32Å
245	T	58.2	Low	65	Low	101 Å²	101	114.4 Å²	114.4	62%	0.62	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-81.3	119.4	168.4	-44.4	0	0	0	0	104.6	V243 P247	V243-T245 VanDerWaalsContact C-N 3.34Å; V243-T245 PolarHBondContact O-N 2.99Å; T245-P247 VanDerWaalsContact O-N 3.16Å
246	P	48	Very low	62	Low	102 Å²	102	125.2 Å²	125.2	66%	0.662	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-52	128.7	171.5	-20.3	29.8	0	0	0	107.2	Q244 N248	Q244-P246 WeakPolarHBondContact O-CD 3.32Å; P246-N248 PolarHBondContact O-N 2.88Å
247	P	47.8	Very low	58.6	Low	119 Å²	119	134.6 Å²	134.6	77%	0.773	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-54.9	119.5	173.2	21.7	-29.9	0	0	0	106.1	T245 S249	T245-P247 VanDerWaalsContact O-N 3.16Å; P247-S249 PolarHBondContact O-N 3.08Å
248	N	47.6	Very low	55.7	Low	144 Å²	144	140.6 Å²	140.6	77%	0.77	67%	0.666	S	S	*	*			trans	-39.4	113.7	-179.9	-106.7	-16.4	0	0	0	108.6	P246 R250	P246-N248 PolarHBondContact O-N 2.88Å; N248-R250 PolarHBondContact O-N 2.84Å
249	S	43.8	Very low	53.2	Low	119 Å²	119	148.2 Å²	148.2	83%	0.832	70%	0.702	S	S	*	*	S	Bend	trans	-65.8	9.4	176	53.2	0	0	0	0	112.8	P247 K251	P247-S249 PolarHBondContact O-N 3.08Å; S249-K251 PolarHBondContact O-N 3.03Å
250	R	48	Very low	50.8	Low	220 Å²	220	151.3 Å²	151.3	83%	0.83	73%	0.727	S	S	*	*	S	Bend	trans	-95.2	96.9	170.7	-69.4	-173.3	176	-172.6	-1	109.5	N248	N248-R250 PolarHBondContact O-N 2.84Å
251	K	40.2	Very low	48.3	Very low	192 Å²	192	154 Å²	154	84%	0.835	74%	0.736	S	S	*	*			trans	93.5	58.1	173.8	-57.8	179.2	178.2	176	0	116.1	S249 K253	S249-K251 PolarHBondContact O-N 3.03Å; K251-K253 PolarHBondContact O-N 2.79Å
252	Q	41.1	Very low	46	Very low	192 Å²	192	156.3 Å²	156.3	90%	0.897	76%	0.756	S	S	*	*			trans	-65.6	77.5	133.6	-81.3	-180	-0	0	0	107.6	R254	Q252-R254 PolarHBondContact O-N 3.08Å; Q252-R254 VanDerWaalsContact O-N 3.09Å
253	K	38.3	Very low	43.6	Very low	189 Å²	189	161 Å²	161	82%	0.822	77%	0.769	S	S	*	*			trans	-68.3	108.4	165.2	-144.9	-179.7	-174.3	-174.2	0	104.3	K251 L255	K251-K253 PolarHBondContact O-N 2.79Å; K253-L255 PolarHBondContact O-N 3.36Å; K253-L255 VanDerWaalsContact O-N 3.09Å
254	R	37	Very low	41.3	Very low	235 Å²	235	168 Å²	168	89%	0.887	81%	0.806	S	S	*	*			trans	-39	116.6	-178.6	-70.3	-178.2	175.7	-173.4	-1.5	109.9	Q252 R256	Q252-R254 PolarHBondContact O-N 3.08Å; Q252-R254 VanDerWaalsContact O-N 3.09Å; R254-R256 PolarHBondContact O-N 2.98Å
255	L	36	Very low	39.5	Very low	182 Å²	182	166.1 Å²	166.1	95%	0.953	80%	0.801	S	S	*	*			trans	-59	100.3	169.4	-76.7	153.7	0	0	0	107.1	K253 Y257	K253-L255 PolarHBondContact O-N 3.36Å; K253-L255 VanDerWaalsContact O-N 3.09Å; L255-Y257 PolarHBondContact O-N 2.98Å
256	R	31.1	Very low	38.6	Very low	236 Å²	236	168 Å²	168	89%	0.891	81%	0.813	S	S	*	*			trans	-79.5	114.2	161.4	-81.3	-171.6	177.4	179.4	-0.7	106.2	R254 R258	R254-R256 PolarHBondContact O-N 2.98Å; R256-R258 PolarHBondContact O-N 2.99Å; R256-R258 VanDerWaalsContact O-N 3.16Å
257	Y	25.7	Very low	38.1	Very low	200 Å²	200	168 Å²	168	78%	0.784	81%	0.807	S	S	*	*			trans	-60.3	110.7	166.5	-166.7	-100.3	0	0	0	107.3	L255 E259	L255-Y257 PolarHBondContact O-N 2.98Å; Y257-E259 HydrophobicContact CD1-CG 4.28Å; Y257-E259 HydrophobicContact CE1-CG 3.66Å
258	R	31.9	Very low	37.9	Very low	222 Å²	222	166.4 Å²	166.4	84%	0.838	79%	0.792	S	S	*	*			trans	-125.3	109.7	169.7	-168.6	172.9	-175.2	153.1	2	106.6	R256 S260	R256-R258 PolarHBondContact O-N 2.99Å; R256-R258 VanDerWaalsContact O-N 3.16Å; R258-S260 PolarHBondContact O-N 2.91Å
259	E	33.9	Very low	37.7	Very low	159 Å²	159	163.9 Å²	163.9	74%	0.743	79%	0.786	S	S	*	*			trans	-60.9	113.9	167.7	-69.7	168.6	166.9	0	0	108	Y257	Y257-E259 HydrophobicContact CD1-CG 4.28Å; Y257-E259 HydrophobicContact CE1-CG 3.66Å
260	S	36.7	Very low	37.9	Very low	99 Å²	99	165.9 Å²	165.9	69%	0.692	78%	0.782	S	S	*	*			trans	-157.9	128.1	164.1	51.1	0	0	0	0	110.1	R258	R258-S260 PolarHBondContact O-N 2.91Å
261	E	32.2	Very low	37.7	Very low	177 Å²	177	165.9 Å²	165.9	83%	0.827	78%	0.782	S	S	*	*			trans	-43	162.8	179.3	-70.7	-154.6	157.3	0	0	118	K263	E261-K263 PolarHBondContact O-N 2.81Å; E261-K263 VanDerWaalsContact O-N 3.1Å
262	P	41.6	Very low	38	Very low	125 Å²	125	166 Å²	166	81%	0.812	78%	0.782	S	S	*	*			trans	-75.8	107.4	-161.3	30	-31.5	0	0	0	111
263	K	34.6	Very low	38.5	Very low	177 Å²	177	161.7 Å²	161.7	77%	0.77	77%	0.774	S	S	*	*			trans	-92.9	128.6	160.9	-73.6	-172.7	175.8	-176.4	0	109.3	E261 D265	E261-K263 PolarHBondContact O-N 2.81Å; E261-K263 VanDerWaalsContact O-N 3.1Å; K263-D265 PolarHBondContact O-N 3.41Å
264	N	36.9	Very low	39.5	Very low	163 Å²	163	158.5 Å²	158.5	87%	0.872	77%	0.77	S	S	*	*			trans	-64.3	70	169.5	-75	-30.5	0	0	0	110.3	V266	N264-V266 PolarHBondContact O-N 3.15Å
265	D	38.9	Very low	40.9	Very low	135 Å²	135	155.8 Å²	155.8	72%	0.722	76%	0.76	S	S	*	*			trans	-92.5	89.4	172.2	-71.8	-29.6	0	0	0	108.5	K263 D267	K263-D265 PolarHBondContact O-N 3.41Å; D265-D267 PolarHBondContact O-N 3.23Å
266	V	38.4	Very low	42.7	Very low	141 Å²	141	150.6 Å²	150.6	86%	0.855	73%	0.732	S	S	*	*			trans	-69.6	68.6	161.9	-175	0	0	0	0	107.9	N264	N264-V266 PolarHBondContact O-N 3.15Å
267	D	37.9	Very low	45.2	Very low	101 Å²	101	142 Å²	142	54%	0.54	70%	0.702	S	S	.	*			trans	-109.6	76	163.8	-168.7	9.3	0	0	0	109.5	D265 S269	D265-D267 PolarHBondContact O-N 3.23Å; D267-S269 PolarHBondContact O-N 3.25Å; D267-S269 VanDerWaalsContact OD1-CB 3.23Å; D267-S269 WeakPolarHBondContact OD1-CB 3.45Å; D267-S269 PolarHBondContact OD1-N 2.95Å; D267-S269 PolarHBondContact OD1-OG 2.88Å
268	N	44.3	Very low	48.2	Very low	87 Å²	87	133.3 Å²	133.3	47%	0.465	67%	0.67	S	S	.	*	G	3₁₀ helix	trans	-76.8	8.3	177.1	-138.5	-1.1	0	0	0	112.2	T175 Q270	T175-N268 PolarHBondContact OG1-ND2 3.45Å; N268-Q270 PolarHBondContact O-N 3.1Å
269	S	44.2	Very low	51.1	Low	91 Å²	91	123.8 Å²	123.8	64%	0.636	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-81.6	-7.1	-172.2	76.1	0	0	0	0	115	D267	D267-S269 PolarHBondContact O-N 3.25Å; D267-S269 VanDerWaalsContact OD1-CB 3.23Å; D267-S269 WeakPolarHBondContact OD1-CB 3.45Å; D267-S269 PolarHBondContact OD1-N 2.95Å; D267-S269 PolarHBondContact OD1-OG 2.88Å
270	Q	46.1	Very low	53.9	Low	160 Å²	160	116.7 Å²	116.7	75%	0.748	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-113.3	6	-176.4	-67.5	-167.4	16.1	0	0	116.7	N268 K272	N268-Q270 PolarHBondContact O-N 3.1Å; Q270-K272 PolarHBondContact O-N 2.82Å
271	R	43.8	Very low	56.5	Low	221 Å²	221	114 Å²	114	83%	0.834	58%	0.579	S	S	*	*			trans	-75.3	79.3	163.6	-79.4	-173.1	178.7	-172.8	2.5	109.4	S273	R271-S273 PolarHBondContact O-N 3.25Å
272	K	46.9	Very low	59.4	Low	193 Å²	193	108.1 Å²	108.1	84%	0.839	55%	0.551	S	S	*	*			trans	-56.6	109.1	165.4	-75.2	-177.2	-179.9	178	0	107.5	Q270 V274	Q270-K272 PolarHBondContact O-N 2.82Å; K272-V274 PolarHBondContact O-N 3.4Å
273	S	51.4	Low	62	Low	103 Å²	103	102.4 Å²	102.4	72%	0.72	51%	0.513	S	S	*	.			trans	-45.4	110.7	172	175.8	0	0	0	0	109.2	R271 R275	R271-S273 PolarHBondContact O-N 3.25Å; S273-R275 PolarHBondContact O-N 3.34Å
274	V	59.7	Low	64.9	Low	122 Å²	122	95.1 Å²	95.1	74%	0.739	48%	0.483	S	S	*	.			trans	-68.1	102.3	172.6	178	0	0	0	0	106.3	K272 I276	K272-V274 PolarHBondContact O-N 3.4Å; V274-I276 PolarHBondContact O-N 3.27Å; V274-I276 VanDerWaalsContact O-N 3.1Å
275	R	67.3	Low	67.7	Low	178 Å²	178	89.6 Å²	89.6	67%	0.672	46%	0.457	S	S	*	.			trans	-71.6	104.3	173.7	177.7	-178.6	-85.4	178.4	-5.8	107.8	S273 Q277	S273-R275 PolarHBondContact O-N 3.34Å; R275-Q277 HydrophobicContact CG-CG 4.16Å; R275-Q277 PolarHBondContact O-N 3.07Å
276	I	73.9	Confident	70.4	Confident	72 Å²	72	86.2 Å²	86.2	37%	0.369	44%	0.436	S	S	.	.			trans	-70	126	170	-48.4	172.4	0	0	0	106.9	N194 T242 V274	N194-I276 WeakPolarHBondContact OD1-CB 3.45Å; N194-I276 WeakPolarHBondContact OD1-CG1 3.44Å; T242-I276 HydrophobicContact CG2-CG2 3.44Å; T242-I276 VanDerWaalsContact CG2-CG2 3.44Å; V274-I276 PolarHBondContact O-N 3.27Å; V274-I276 VanDerWaalsContact O-N 3.1Å
277	Q	83	Confident	73.2	Confident	55 Å²	55	79.5 Å²	79.5	26%	0.257	40%	0.395	S	S	.	.			trans	-110.5	135.1	174.7	-67.7	-176.2	-4.1	0	0	108.7	V243 R275 D281	V243-Q277 PolarHBondContact N-O 3.38Å; R275-Q277 HydrophobicContact CG-CG 4.16Å; R275-Q277 PolarHBondContact O-N 3.07Å; Q277-D281 HydrophobicContact CB-CB 4.44Å
278	T	88.9	Confident	76.1	Confident	19 Å²	19	74.8 Å²	74.8	12%	0.117	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-91	167.7	172.8	61.6	0	0	0	0	110.9	H239 L241 L280 D281 K282	H239-T278 WeakPolarHBondContact O-CG2 3.07Å; L241-T278 WeakPolarHBondContact O-CA 3.43Å; L241-T278 WeakPolarHBondContact O-CB 3.43Å; T278-L280 PolarHBondContact O-N 2.01Å; T278-L280 PolarHBondContact OG1-N 3.47Å; T278-D281 PolarHBondContact N-OD2 3.37Å; T278-D281 PolarHBondContact O-N 3.26Å; T278-D281 PolarHBondContact OG1-N 3.49Å; T278-D281 PolarHBondContact OG1-OD2 2.88Å; T278-K282 PolarHBondContact O-N 3.4Å
279	Y	92	Very high	78.6	Confident	22 Å²	22	73.6 Å²	73.6	9%	0.086	36%	0.359	C	S	.	.	H	α-helix	trans	-60.4	-34.7	170.1	-75.6	-109.7	0	0	0	110.3	L241 V243 K282 L283 H511 P513 G516 I518	L241-Y279 HydrophobicContact CB-CD2 3.52Å; L241-Y279 HydrophobicContact CB-CE2 3.83Å; L241-Y279 HydrophobicContact CB-CG 4.44Å; L241-Y279 WeakPolarHBondContact O-CD2 3.33Å; L241-Y279 PolarHBondContact O-N 3.13Å; L241-Y279 VanDerWaalsContact O-N 3.12Å; V243-Y279 HydrophobicContact CG2-CD2 3.81Å; V243-Y279 HydrophobicContact CG2-CE2 3.93Å; V243-Y279 HydrophobicContact CG2-CG 4.19Å; Y279-K282 WeakPolarHBondContact O-CB 3.42Å; Y279-K282 PolarHBondContact O-N 3.27Å; Y279-L283 PolarHBondContact O-N 2.95Å; Y279-H511 AromaticContact CE1-NE2 3.58Å; Y279-H511 AromaticContact CZ-NE2 3.53Å; Y279-H511 PolarHBondContact OH-CE1 2.71Å; Y279-H511 PolarHBondContact OH-NE2 3.43Å; Y279-P513 HydrophobicContact CE1-CB 4.03Å; Y279-P513 HydrophobicContact CE1-CG 4.07Å; Y279-G516 VanDerWaalsContact O-CA 3.28Å; Y279-G516 WeakPolarHBondContact O-CA 3.36Å; Y279-I518 HydrophobicContact CD1-CG2 4.04Å; Y279-I518 HydrophobicContact CE1-CG2 4.38Å; Y279-I518 HydrophobicContact CG-CG2 4.42Å
280	L	92.8	Very high	81.2	Confident	9 Å²	9	69.9 Å²	69.9	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-44.9	174.3	-169.6	63.4	0	0	0	112.4	Y218 L222 H239 T278 K282 L283 L284 V294	Y218-L280 WeakPolarHBondContact OH-CD2 3.35Å; L222-L280 HydrophobicContact CD1-CD2 4.5Å; L222-L280 HydrophobicContact CD2-CD2 4.08Å; H239-L280 HydrophobicContact CB-CB 4.19Å; H239-L280 HydrophobicContact CB-CD2 3.78Å; T278-L280 PolarHBondContact O-N 2.01Å; T278-L280 PolarHBondContact OG1-N 3.47Å; L280-K282 PolarHBondContact O-N 3.11Å; L280-L283 HydrophobicContact CD1-CD2 4.22Å; L280-L283 WeakPolarHBondContact O-CB 3.19Å; L280-L283 PolarHBondContact O-N 3.05Å; L280-L284 HydrophobicContact CD1-CG 4.39Å; L280-L284 HydrophobicContact CG-CD1 4.17Å; L280-L284 HydrophobicContact CG-CG 4.31Å; L280-L284 WeakPolarHBondContact O-CB 3.48Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.1Å; L280-L284 PolarHBondContact O-N 3.06Å; L280-V294 HydrophobicContact CD1-CG1 3.78Å; L280-V294 HydrophobicContact CD1-CG2 4.24Å
281	D	91.4	Very high	83.7	Confident	43 Å²	43	62.3 Å²	62.3	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-37.6	176	-69.5	-63.9	0	0	0	111.9	Q277 T278 S285 R356	Q277-D281 HydrophobicContact CB-CB 4.44Å; T278-D281 PolarHBondContact N-OD2 3.37Å; T278-D281 PolarHBondContact O-N 3.26Å; T278-D281 PolarHBondContact OG1-N 3.49Å; T278-D281 PolarHBondContact OG1-OD2 2.88Å; D281-S285 WeakPolarHBondContact O-CB 2.91Å; D281-S285 PolarHBondContact O-N 3.23Å; D281-R356 IonicContact OD1-NH1 3.71Å; D281-R356 PolarHBondContact OD1-NH1 3.43Å; D281-R356 VanDerWaalsContact OD1-NH1 3.13Å
282	K	93.3	Very high	86.3	Confident	54 Å²	54	51.8 Å²	51.8	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-46.7	175.3	-69.2	-64	-160.7	-170.5	0	111.3	V243 T278 Y279 L280 S285 K286 P513	V243-K282 HydrophobicContact CG2-CG 3.97Å; T278-K282 PolarHBondContact O-N 3.4Å; Y279-K282 WeakPolarHBondContact O-CB 3.42Å; Y279-K282 PolarHBondContact O-N 3.27Å; L280-K282 PolarHBondContact O-N 3.11Å; K282-S285 PolarHBondContact O-N 3.04Å; K282-S285 PolarHBondContact O-OG 3.45Å; K282-K286 WeakPolarHBondContact O-CG 3.08Å; K282-P513 WeakPolarHBondContact CG-O 3.17Å
283	L	96.1	Very high	88.7	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-57	-51.6	176.7	-175	70.7	0	0	0	111.6	W234 Y279 L280 S285 K286 E290 V294 F508 Y515	W234-L283 HydrophobicContact CZ2-CD2 3.86Å; Y279-L283 PolarHBondContact O-N 2.95Å; L280-L283 HydrophobicContact CD1-CD2 4.22Å; L280-L283 WeakPolarHBondContact O-CB 3.19Å; L280-L283 PolarHBondContact O-N 3.05Å; L283-S285 PolarHBondContact O-N 3.46Å; L283-S285 VanDerWaalsContact O-N 3.13Å; L283-K286 PolarHBondContact O-N 3.05Å; L283-E290 HydrophobicContact CD1-CB 4.05Å; L283-E290 HydrophobicContact CD2-CB 4.17Å; L283-E290 HydrophobicContact CG-CB 4.45Å; L283-V294 HydrophobicContact CD2-CG2 4.45Å; L283-F508 HydrophobicContact CD1-CE1 4.21Å; L283-F508 HydrophobicContact CD1-CZ 4.21Å; L283-Y515 WeakPolarHBondContact CD1-O 3.42Å
284	L	96.2	Very high	91	Very high	24 Å²	24	37.8 Å²	37.8	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-21.3	179.6	-66.2	-176.8	0	0	0	113.7	L280 K286 V294 L295 N371	L280-L284 HydrophobicContact CD1-CG 4.39Å; L280-L284 HydrophobicContact CG-CD1 4.17Å; L280-L284 HydrophobicContact CG-CG 4.31Å; L280-L284 WeakPolarHBondContact O-CB 3.48Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.1Å; L280-L284 PolarHBondContact O-N 3.06Å; L284-K286 VanDerWaalsContact C-N 3.33Å; L284-V294 HydrophobicContact CD2-CB 4.07Å; L284-V294 HydrophobicContact CD2-CG1 3.82Å; L284-L295 HydrophobicContact CD1-CD2 4.38Å; L284-L295 HydrophobicContact CD2-CD1 4.36Å; L284-L295 HydrophobicContact CD2-CD2 3.98Å; L284-L295 HydrophobicContact CD2-CG 3.78Å; L284-N371 PolarHBondContact O-ND2 3.28Å
285	S	95.3	Very high	92.9	Very high	47 Å²	47	32.4 Å²	32.4	33%	0.329	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9	176.2	78.2	0	0	0	0	114.4	D281 K282 L283 L367	D281-S285 WeakPolarHBondContact O-CB 2.91Å; D281-S285 PolarHBondContact O-N 3.23Å; K282-S285 PolarHBondContact O-N 3.04Å; K282-S285 PolarHBondContact O-OG 3.45Å; L283-S285 PolarHBondContact O-N 3.46Å; L283-S285 VanDerWaalsContact O-N 3.13Å; S285-L367 VanDerWaalsContact O-CD2 3.28Å; S285-L367 WeakPolarHBondContact O-CD2 3.41Å
286	K	95.7	Very high	94.4	Very high	64 Å²	64	24 Å²	24	28%	0.278	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-26.6	-177.5	-60.6	-51.6	-178.5	179.3	0	114	K282 L283 L284 T288 S503 R514 Y515	K282-K286 WeakPolarHBondContact O-CG 3.08Å; L283-K286 PolarHBondContact O-N 3.05Å; L284-K286 VanDerWaalsContact C-N 3.33Å; K286-T288 HydrophobicContact CB-CG2 3.88Å; K286-S503 VanDerWaalsContact O-CB 3.25Å; K286-S503 WeakPolarHBondContact O-CB 3.36Å; K286-S503 PolarHBondContact O-OG 3.04Å; K286-R514 WeakPolarHBondContact CE-O 3.42Å; K286-R514 PolarHBondContact NZ-O 3.21Å; K286-Y515 HydrophobicContact CD-CD1 4.33Å; K286-Y515 HydrophobicContact CD-CE1 4.44Å; K286-Y515 HydrophobicContact CG-CD1 3.97Å; K286-Y515 HydrophobicContact CG-CE1 4.46Å
287	G	97	Very high	95.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.			trans	66.8	43.5	-177.4	0	0	0	0	0	112.5	S291 I502 S503	G287-S291 VanDerWaalsContact CA-OG 3.26Å; G287-S291 WeakPolarHBondContact CA-OG 3.46Å; G287-I502 WeakPolarHBondContact O-CG1 3.25Å; G287-I502 PolarHBondContact O-N 2.77Å; G287-S503 PolarHBondContact O-N 3.31Å
288	T	98.3	Very high	96.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	9%	0.09	C	C	.	.			trans	-89.1	169.6	172.4	68.4	0	0	0	0	111.2	K286 E290 S291 A292 S503	K286-T288 HydrophobicContact CB-CG2 3.88Å; T288-E290 WeakPolarHBondContact CB-OE2 3.28Å; T288-E290 PolarHBondContact O-N 3.02Å; T288-E290 PolarHBondContact OG1-OE2 3.09Å; T288-S291 PolarHBondContact N-OG 2.64Å; T288-S291 PolarHBondContact O-N 3.3Å; T288-S291 PolarHBondContact O-OG 2.93Å; T288-A292 PolarHBondContact O-N 2.84Å; T288-S503 WeakPolarHBondContact CA-O 3.38Å
289	R	98	Very high	96.8	Very high	63 Å²	63	17.3 Å²	17.3	24%	0.238	8%	0.084	C	C	.	.	H	α-helix	trans	-51.8	-40.2	174	-74	-175.3	-90.8	-112.2	-14.2	113	S291 A292 Y293 F422 A425 Y501 E504	R289-S291 VanDerWaalsContact C-N 3.34Å; R289-S291 PolarHBondContact O-N 3.44Å; R289-A292 VanDerWaalsContact O-CB 3.31Å; R289-A292 WeakPolarHBondContact O-CB 3.44Å; R289-A292 PolarHBondContact O-N 3.38Å; R289-A292 VanDerWaalsContact O-N 3.11Å; R289-Y293 PolarHBondContact O-N 3.06Å; R289-F422 VanDerWaalsContact C-CE2 3.5Å; R289-F422 HydrophobicContact CB-CD2 3.96Å; R289-F422 HydrophobicContact CB-CE2 3.55Å; R289-F422 HydrophobicContact CB-CZ 4.21Å; R289-F422 WeakPolarHBondContact O-CD2 3.41Å; R289-A425 HydrophobicContact CG-CB 4Å; R289-Y501 HydrophobicContact CG-CD1 3.34Å; R289-Y501 HydrophobicContact CG-CD2 4.26Å; R289-Y501 HydrophobicContact CG-CE1 3.6Å; R289-Y501 HydrophobicContact CG-CE2 4.48Å; R289-Y501 HydrophobicContact CG-CG 3.7Å; R289-Y501 PolarHBondContact NH1-OH 2.84Å; R289-E504 IonicContact CZ-OE2 2.79Å; R289-E504 IonicContact NH2-OE2 3.57Å; R289-E504 PolarHBondContact NH2-OE2 3.33Å
290	E	98.2	Very high	97.1	Very high	13 Å²	13	16.3 Å²	16.3	6%	0.061	8%	0.08	C	C	.	.	H	α-helix	trans	-62.5	-42.9	179	-62.3	75.1	-160.3	0	0	111	W234 L283 T288 A292 Y293 V294 F422 S505 F508	W234-E290 HydrophobicContact CB-CG 4.11Å; W234-E290 HydrophobicContact CD2-CB 3.68Å; W234-E290 HydrophobicContact CD2-CG 3.31Å; W234-E290 HydrophobicContact CE3-CB 3.84Å; W234-E290 HydrophobicContact CE3-CG 3.4Å; W234-E290 HydrophobicContact CG-CB 4.3Å; W234-E290 HydrophobicContact CG-CG 3.63Å; W234-E290 HydrophobicContact CH2-CB 3.85Å; W234-E290 HydrophobicContact CH2-CG 4.36Å; W234-E290 HydrophobicContact CZ2-CB 3.72Å; W234-E290 HydrophobicContact CZ2-CG 4.32Å; W234-E290 HydrophobicContact CZ3-CB 3.91Å; W234-E290 HydrophobicContact CZ3-CG 3.92Å; L283-E290 HydrophobicContact CD1-CB 4.05Å; L283-E290 HydrophobicContact CD2-CB 4.17Å; L283-E290 HydrophobicContact CG-CB 4.45Å; T288-E290 WeakPolarHBondContact CB-OE2 3.28Å; T288-E290 PolarHBondContact O-N 3.02Å; T288-E290 PolarHBondContact OG1-OE2 3.09Å; E290-A292 VanDerWaalsContact C-N 3.31Å; E290-A292 PolarHBondContact O-N 3.01Å; E290-Y293 PolarHBondContact O-N 3.44Å; E290-V294 VanDerWaalsContact O-CG2 3.3Å; E290-V294 WeakPolarHBondContact O-CG2 3.47Å; E290-V294 PolarHBondContact O-N 3.42Å; E290-F422 HydrophobicContact CG-CE2 4.3Å; E290-S505 WeakPolarHBondContact OE1-CB 3.48Å; E290-S505 PolarHBondContact OE1-OG 2.83Å; E290-S505 WeakPolarHBondContact OE2-CB 3.3Å; E290-S505 PolarHBondContact OE2-OG 3.46Å; E290-F508 VanDerWaalsContact CD-CE2 3.45Å; E290-F508 HydrophobicContact CG-CE2 3.87Å; E290-F508 HydrophobicContact CG-CZ 3.75Å; E290-F508 WeakPolarHBondContact OE1-CE2 3.29Å
291	S	98.1	Very high	97.4	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.007	8%	0.078	C	C	.	.	H	α-helix	trans	-65.3	-35.5	174.3	69.9	0	0	0	0	112.6	G287 T288 R289 V294 L295	G287-S291 VanDerWaalsContact CA-OG 3.26Å; G287-S291 WeakPolarHBondContact CA-OG 3.46Å; T288-S291 PolarHBondContact N-OG 2.64Å; T288-S291 PolarHBondContact O-N 3.3Å; T288-S291 PolarHBondContact O-OG 2.93Å; R289-S291 VanDerWaalsContact C-N 3.34Å; R289-S291 PolarHBondContact O-N 3.44Å; S291-V294 PolarHBondContact O-N 3.5Å; S291-L295 WeakPolarHBondContact O-CB 3.13Å; S291-L295 WeakPolarHBondContact O-CD1 3.48Å; S291-L295 WeakPolarHBondContact O-CG 3.31Å; S291-L295 PolarHBondContact O-N 3Å
292	A	98.6	Very high	97.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.7	-48.4	177.2	0	0	0	0	0	111.3	T288 R289 E290 L295 A296 N374 L499 I500	T288-A292 PolarHBondContact O-N 2.84Å; R289-A292 VanDerWaalsContact O-CB 3.31Å; R289-A292 WeakPolarHBondContact O-CB 3.44Å; R289-A292 PolarHBondContact O-N 3.38Å; R289-A292 VanDerWaalsContact O-N 3.11Å; E290-A292 VanDerWaalsContact C-N 3.31Å; E290-A292 PolarHBondContact O-N 3.01Å; A292-L295 PolarHBondContact O-N 2.67Å; A292-A296 WeakPolarHBondContact O-CB 3.33Å; A292-A296 PolarHBondContact O-N 2.79Å; A292-N374 WeakPolarHBondContact CA-ND2 3.26Å; A292-N374 HydrophobicContact CB-CB 4.46Å; A292-N374 VanDerWaalsContact CB-ND2 3.26Å; A292-N374 WeakPolarHBondContact CB-ND2 3.38Å; A292-L499 HydrophobicContact CB-CB 4.43Å; A292-I500 WeakPolarHBondContact CB-O 3.13Å
293	Y	98.7	Very high	98	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.1	-47.1	176.5	-176.8	-82.5	0	0	0	112	C225 Q228 F229 R289 E290 L295 A296 V297 G415 L418 Q419 F422	C225-Y293 HydrophobicContact CB-CD1 4.37Å; C225-Y293 HydrophobicContact CB-CE1 3.78Å; C225-Y293 VanDerWaalsContact SG-CD1 3.57Å; C225-Y293 VanDerWaalsContact SG-CE1 3.55Å; Q228-Y293 WeakPolarHBondContact CG-OH 3.28Å; F229-Y293 HydrophobicContact CD2-CD1 4.27Å; F229-Y293 HydrophobicContact CD2-CE1 4.13Å; F229-Y293 AromaticContact CE2-CD1 3.53Å; F229-Y293 HydrophobicContact CE2-CD1 3.53Å; F229-Y293 AromaticContact CE2-CD2 3.75Å; F229-Y293 HydrophobicContact CE2-CD2 3.75Å; F229-Y293 AromaticContact CE2-CE1 3.55Å; F229-Y293 HydrophobicContact CE2-CE1 3.55Å; F229-Y293 AromaticContact CE2-CE2 3.73Å; F229-Y293 HydrophobicContact CE2-CE2 3.73Å; F229-Y293 AromaticContact CE2-CG 3.64Å; F229-Y293 HydrophobicContact CE2-CG 3.64Å; F229-Y293 AromaticContact CE2-CZ 3.65Å; F229-Y293 HydrophobicContact CZ-CD1 4.37Å; F229-Y293 AromaticContact CZ-CD2 3.97Å; F229-Y293 HydrophobicContact CZ-CD2 3.97Å; F229-Y293 HydrophobicContact CZ-CE2 4.21Å; F229-Y293 HydrophobicContact CZ-CG 4.04Å; R289-Y293 PolarHBondContact O-N 3.06Å; E290-Y293 PolarHBondContact O-N 3.44Å; Y293-L295 VanDerWaalsContact C-N 3.33Å; Y293-L295 PolarHBondContact O-N 3.45Å; Y293-A296 PolarHBondContact O-N 3.2Å; Y293-V297 HydrophobicContact CD1-CB 4.29Å; Y293-V297 HydrophobicContact CD1-CG1 3.98Å; Y293-V297 HydrophobicContact CE1-CB 3.8Å; Y293-V297 HydrophobicContact CE1-CG1 3.7Å; Y293-V297 HydrophobicContact CE1-CG2 4.13Å; Y293-V297 WeakPolarHBondContact O-CB 3.41Å; Y293-V297 WeakPolarHBondContact O-CG1 3.39Å; Y293-V297 PolarHBondContact O-N 2.03Å; Y293-G415 PolarHBondContact OH-O 2.95Å; Y293-L418 HydrophobicContact CD2-CB 4Å; Y293-L418 WeakPolarHBondContact CD2-O 3.45Å; Y293-L418 VanDerWaalsContact CE2-C 3.46Å; Y293-L418 HydrophobicContact CE2-CB 3.5Å; Y293-Q419 HydrophobicContact CE2-CB 4.01Å; Y293-F422 HydrophobicContact CD2-CB 3.94Å
294	V	98.6	Very high	98.1	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-57.4	-46.3	179.1	169.6	0	0	0	0	111.3	L222 W234 L280 L283 L284 E290 S291 T298	L222-V294 HydrophobicContact CD2-CG1 4.39Å; W234-V294 HydrophobicContact CH2-CG2 3.77Å; W234-V294 HydrophobicContact CZ2-CG2 3.61Å; L280-V294 HydrophobicContact CD1-CG1 3.78Å; L280-V294 HydrophobicContact CD1-CG2 4.24Å; L283-V294 HydrophobicContact CD2-CG2 4.45Å; L284-V294 HydrophobicContact CD2-CB 4.07Å; L284-V294 HydrophobicContact CD2-CG1 3.82Å; E290-V294 VanDerWaalsContact O-CG2 3.3Å; E290-V294 WeakPolarHBondContact O-CG2 3.47Å; E290-V294 PolarHBondContact O-N 3.42Å; S291-V294 PolarHBondContact O-N 3.5Å; V294-T298 HydrophobicContact CG1-CG2 4.29Å; V294-T298 WeakPolarHBondContact O-CB 3.44Å; V294-T298 VanDerWaalsContact O-CG2 3.26Å; V294-T298 WeakPolarHBondContact O-CG2 3.3Å; V294-T298 PolarHBondContact O-N 3.35Å; V294-T298 PolarHBondContact O-OG1 2.86Å
295	L	98.7	Very high	98.2	Very high	10 Å²	10	11.4 Å²	11.4	5%	0.052	6%	0.057	C	C	.	.	H	α-helix	trans	-61.7	-47	179.2	-73.3	169	0	0	0	111.1	L284 S291 A292 Y293 T298 S299 N371 N374 N375	L284-L295 HydrophobicContact CD1-CD2 4.38Å; L284-L295 HydrophobicContact CD2-CD1 4.36Å; L284-L295 HydrophobicContact CD2-CD2 3.98Å; L284-L295 HydrophobicContact CD2-CG 3.78Å; S291-L295 WeakPolarHBondContact O-CB 3.13Å; S291-L295 WeakPolarHBondContact O-CD1 3.48Å; S291-L295 WeakPolarHBondContact O-CG 3.31Å; S291-L295 PolarHBondContact O-N 3Å; A292-L295 PolarHBondContact O-N 2.67Å; Y293-L295 VanDerWaalsContact C-N 3.33Å; Y293-L295 PolarHBondContact O-N 3.45Å; L295-T298 PolarHBondContact O-OG1 2.6Å; L295-S299 WeakPolarHBondContact O-CB 3.44Å; L295-S299 PolarHBondContact O-N 2.88Å; L295-N371 HydrophobicContact CD1-CB 3.62Å; L295-N371 VanDerWaalsContact CD1-CG 3.4Å; L295-N371 WeakPolarHBondContact CD1-OD1 3.41Å; L295-N374 HydrophobicContact CB-CB 4.04Å; L295-N374 HydrophobicContact CD1-CB 4.42Å; L295-N375 WeakPolarHBondContact CB-OD1 3.25Å; L295-N375 WeakPolarHBondContact CD2-OD1 3.15Å; L295-N375 PolarHBondContact O-OD1 3.41Å
296	A	98.8	Very high	98.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.3	-51.6	178.5	0	0	0	0	0	112.3	A292 Y293 T298 S299 A300 N374 G378 L418 L499	A292-A296 WeakPolarHBondContact O-CB 3.33Å; A292-A296 PolarHBondContact O-N 2.79Å; Y293-A296 PolarHBondContact O-N 3.2Å; A296-T298 PolarHBondContact O-N 2.83Å; A296-S299 PolarHBondContact O-N 3.32Å; A296-A300 VanDerWaalsContact O-CB 3.3Å; A296-A300 WeakPolarHBondContact O-CB 3.3Å; A296-A300 PolarHBondContact O-N 2.93Å; A296-N374 VanDerWaalsContact CA-O 3.26Å; A296-N374 WeakPolarHBondContact CA-O 3.32Å; A296-N374 WeakPolarHBondContact CB-O 2.94Å; A296-G378 VanDerWaalsContact O-CA 3.27Å; A296-G378 WeakPolarHBondContact O-CA 3.31Å; A296-L418 HydrophobicContact CB-CD1 4.2Å; A296-L418 HydrophobicContact CB-CD2 3.89Å; A296-L499 HydrophobicContact CB-CD2 3.68Å
297	V	98.7	Very high	98.4	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-69	-34.3	-175.2	77.1	0	0	0	0	112.5	E224 C225 Y293 G301 F411 L418	E224-V297 HydrophobicContact CB-CG2 4.42Å; C225-V297 HydrophobicContact CB-CG1 4.07Å; Y293-V297 HydrophobicContact CD1-CB 4.29Å; Y293-V297 HydrophobicContact CD1-CG1 3.98Å; Y293-V297 HydrophobicContact CE1-CB 3.8Å; Y293-V297 HydrophobicContact CE1-CG1 3.7Å; Y293-V297 HydrophobicContact CE1-CG2 4.13Å; Y293-V297 WeakPolarHBondContact O-CB 3.41Å; Y293-V297 WeakPolarHBondContact O-CG1 3.39Å; Y293-V297 PolarHBondContact O-N 2.03Å; V297-G301 PolarHBondContact O-N 3.18Å; V297-F411 HydrophobicContact CG2-CE1 4.23Å; V297-F411 HydrophobicContact CG2-CZ 4.18Å; V297-L418 HydrophobicContact CB-CD1 4.02Å; V297-L418 HydrophobicContact CG2-CD1 4.27Å
298	T	98.7	Very high	98.4	Very high	7 Å²	7	11.2 Å²	11.2	4%	0.043	5%	0.05	C	C	.	.	H	α-helix	trans	-74.4	-37.8	175.9	56.5	0	0	0	0	111.8	Y218 L222 V294 L295 A296 G301 V302	Y218-T298 HydrophobicContact CD2-CG2 4Å; Y218-T298 HydrophobicContact CE2-CG2 3.88Å; L222-T298 HydrophobicContact CD2-CG2 3.9Å; L222-T298 HydrophobicContact CG-CG2 4.04Å; V294-T298 HydrophobicContact CG1-CG2 4.29Å; V294-T298 WeakPolarHBondContact O-CB 3.44Å; V294-T298 VanDerWaalsContact O-CG2 3.26Å; V294-T298 WeakPolarHBondContact O-CG2 3.3Å; V294-T298 PolarHBondContact O-N 3.35Å; V294-T298 PolarHBondContact O-OG1 2.86Å; L295-T298 PolarHBondContact O-OG1 2.6Å; A296-T298 PolarHBondContact O-N 2.83Å; T298-G301 PolarHBondContact O-N 2.85Å; T298-V302 WeakPolarHBondContact O-CG2 3.37Å; T298-V302 PolarHBondContact O-N 3.45Å
299	S	98.8	Very high	98.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.6	-40.9	173.2	-173.1	0	0	0	0	112.1	L295 A296 S303 S349 N375 R379	L295-S299 WeakPolarHBondContact O-CB 3.44Å; L295-S299 PolarHBondContact O-N 2.88Å; A296-S299 PolarHBondContact O-N 3.32Å; S299-S303 PolarHBondContact O-N 2.78Å; S299-S303 VanDerWaalsContact O-N 3.14Å; S299-S303 PolarHBondContact O-OG 3.43Å; S299-S349 PolarHBondContact O-OG 3.06Å; S299-S349 VanDerWaalsContact O-OG 3.13Å; S299-S349 PolarHBondContact OG-OG 2.71Å; S299-N375 WeakPolarHBondContact CB-O 3.39Å; S299-N375 PolarHBondContact OG-O 3.26Å; S299-R379 WeakPolarHBondContact OG-CG 3.49Å; S299-R379 PolarHBondContact OG-NH1 3.26Å
300	A	98.8	Very high	98.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.8	-46.1	170.8	0	0	0	0	0	111.3	A296 V302 S303 H304 G378 V382 F411	A296-A300 VanDerWaalsContact O-CB 3.3Å; A296-A300 WeakPolarHBondContact O-CB 3.3Å; A296-A300 PolarHBondContact O-N 2.93Å; A300-V302 PolarHBondContact O-N 3.03Å; A300-S303 PolarHBondContact O-N 3.31Å; A300-H304 VanDerWaalsContact O-CB 3.29Å; A300-H304 WeakPolarHBondContact O-CB 3.48Å; A300-H304 PolarHBondContact O-N 3.48Å; A300-G378 WeakPolarHBondContact CB-O 3.47Å; A300-V382 HydrophobicContact CB-CG2 3.67Å; A300-F411 HydrophobicContact CB-CE2 4.22Å; A300-F411 HydrophobicContact CB-CZ 4.49Å
301	G	98.9	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.6	-45.1	-179.8	0	0	0	0	0	113.4	G217 M220 V297 T298 H304 A305 F411	G217-G301 VanDerWaalsContact CA-C 3.49Å; G217-G301 WeakPolarHBondContact CA-O 3.23Å; G217-G301 CarbonylContact O-C 3.56Å; G217-G301 WeakPolarHBondContact O-CA 3.22Å; M220-G301 WeakPolarHBondContact CE-O 3.29Å; V297-G301 PolarHBondContact O-N 3.18Å; T298-G301 PolarHBondContact O-N 2.85Å; G301-H304 PolarHBondContact O-N 3.2Å; G301-A305 WeakPolarHBondContact O-CB 3.36Å; G301-A305 PolarHBondContact O-N 3.07Å; G301-F411 VanDerWaalsContact CA-CE2 3.46Å; G301-F411 VanDerWaalsContact CA-CZ 3.47Å
302	V	98.7	Very high	97.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.9	-44.9	174.6	173.5	0	0	0	0	111.1	V214 T298 A300 H304 V306 L353	V214-V302 HydrophobicContact CG1-CG1 4.23Å; V214-V302 HydrophobicContact CG1-CG2 4.29Å; V214-V302 HydrophobicContact CG2-CG1 4.29Å; T298-V302 WeakPolarHBondContact O-CG2 3.37Å; T298-V302 PolarHBondContact O-N 3.45Å; A300-V302 PolarHBondContact O-N 3.03Å; V302-H304 PolarHBondContact O-N 3.35Å; V302-V306 HydrophobicContact CG1-CG2 4.21Å; V302-V306 WeakPolarHBondContact O-CB 3.28Å; V302-V306 VanDerWaalsContact O-CG2 3.25Å; V302-V306 WeakPolarHBondContact O-CG2 3.35Å; V302-V306 PolarHBondContact O-N 3.27Å; V302-L353 HydrophobicContact CB-CD1 4.15Å; V302-L353 HydrophobicContact CG2-CD1 3.99Å
303	S	98.7	Very high	97.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.5	-47	179	-50.6	0	0	0	0	111.5	S299 A300 T307 S349 R379	S299-S303 PolarHBondContact O-N 2.78Å; S299-S303 VanDerWaalsContact O-N 3.14Å; S299-S303 PolarHBondContact O-OG 3.43Å; A300-S303 PolarHBondContact O-N 3.31Å; S303-T307 WeakPolarHBondContact O-CB 3.42Å; S303-T307 PolarHBondContact O-N 3.04Å; S303-T307 PolarHBondContact O-OG1 3.21Å; S303-T307 VanDerWaalsContact O-OG1 3.1Å; S303-S349 VanDerWaalsContact OG-CB 3.25Å; S303-S349 WeakPolarHBondContact OG-CB 3.26Å; S303-S349 PolarHBondContact OG-OG 3.03Å; S303-R379 WeakPolarHBondContact OG-CG 3.33Å
304	H	98.7	Very high	97	Very high	25 Å²	25	20.2 Å²	20.2	12%	0.116	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-49.9	-180	-172.8	-69.9	0	0	0	112	M220 A300 G301 V302 T307 K308 L408 P409 F411	M220-H304 HydrophobicContact CE-CB 3.84Å; A300-H304 VanDerWaalsContact O-CB 3.29Å; A300-H304 WeakPolarHBondContact O-CB 3.48Å; A300-H304 PolarHBondContact O-N 3.48Å; G301-H304 PolarHBondContact O-N 3.2Å; V302-H304 PolarHBondContact O-N 3.35Å; H304-T307 PolarHBondContact O-N 2.96Å; H304-K308 WeakPolarHBondContact O-CB 3.46Å; H304-K308 PolarHBondContact O-N 2.75Å; H304-L408 VanDerWaalsContact O-CD1 3.3Å; H304-L408 WeakPolarHBondContact O-CD1 3.48Å; H304-P409 PolarHBondContact NE2-O 3.49Å; H304-F411 HydrophobicContact CB-CD2 4.1Å; H304-F411 HydrophobicContact CB-CE2 4.2Å; H304-F411 AromaticContact CD2-CD2 3.86Å; H304-F411 AromaticContact CG-CD2 3.89Å
305	A	98.5	Very high	96.4	Very high	8 Å²	8	20.9 Å²	20.9	7%	0.066	13%	0.129	C	C	.	.	H	α-helix	trans	-68.5	-39.3	-177.6	0	0	0	0	0	113.2	S213 M220 G301 K308 A309	S213-A305 WeakPolarHBondContact O-CB 3.32Å; M220-A305 HydrophobicContact CE-CB 4.26Å; G301-A305 WeakPolarHBondContact O-CB 3.36Å; G301-A305 PolarHBondContact O-N 3.07Å; A305-K308 PolarHBondContact O-N 3.48Å; A305-A309 WeakPolarHBondContact O-CB 3.01Å; A305-A309 PolarHBondContact O-N 3.46Å
306	V	97.5	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-48.7	175.3	170.1	0	0	0	0	110.1	L210 V214 V302 K308 A309 C310 F344 F348	L210-V306 HydrophobicContact CD2-CG1 4.47Å; V214-V306 HydrophobicContact CG2-CG2 4.02Å; V302-V306 HydrophobicContact CG1-CG2 4.21Å; V302-V306 WeakPolarHBondContact O-CB 3.28Å; V302-V306 VanDerWaalsContact O-CG2 3.25Å; V302-V306 WeakPolarHBondContact O-CG2 3.35Å; V302-V306 PolarHBondContact O-N 3.27Å; V306-K308 VanDerWaalsContact C-N 3.32Å; V306-K308 PolarHBondContact O-N 3.05Å; V306-A309 PolarHBondContact O-N 2.94Å; V306-C310 PolarHBondContact O-N 3.03Å; V306-C310 PolarHBondContact O-SG 3.11Å; V306-F344 HydrophobicContact CG1-CD1 4.15Å; V306-F344 HydrophobicContact CG1-CE1 3.9Å; V306-F348 HydrophobicContact CG1-CB 4.32Å; V306-F348 HydrophobicContact CG1-CG 4.45Å; V306-F348 HydrophobicContact CG2-CD1 4.25Å
307	T	97.6	Very high	94.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-44.5	176.8	-69.4	0	0	0	0	111.7	S303 H304 A309 C310 S311 D340 N341 I342 G345 L408	S303-T307 WeakPolarHBondContact O-CB 3.42Å; S303-T307 PolarHBondContact O-N 3.04Å; S303-T307 PolarHBondContact O-OG1 3.21Å; S303-T307 VanDerWaalsContact O-OG1 3.1Å; H304-T307 PolarHBondContact O-N 2.96Å; T307-A309 VanDerWaalsContact C-N 3.33Å; T307-A309 PolarHBondContact O-N 3.41Å; T307-C310 PolarHBondContact O-N 3.5Å; T307-S311 PolarHBondContact O-N 2.88Å; T307-S311 PolarHBondContact O-OG 3.48Å; T307-D340 HydrophobicContact CG2-CB 3.77Å; T307-N341 VanDerWaalsContact CG2-C 3.45Å; T307-N341 VanDerWaalsContact CG2-O 3.3Å; T307-N341 WeakPolarHBondContact CG2-O 3.05Å; T307-N341 PolarHBondContact OG1-O 3.43Å; T307-I342 WeakPolarHBondContact OG1-CA 3.45Å; T307-G345 WeakPolarHBondContact OG1-CA 3.39Å; T307-G345 PolarHBondContact OG1-N 2.9Å; T307-L408 HydrophobicContact CG2-CD1 3.78Å; T307-L408 HydrophobicContact CG2-CD2 3.98Å; T307-L408 HydrophobicContact CG2-CG 3.97Å
308	K	97	Very high	94.5	Very high	106 Å²	106	34.6 Å²	34.6	46%	0.461	20%	0.204	S	C	.	.	H	α-helix	trans	-64.9	-38.1	-179.5	-171.2	54.8	173.9	177.8	0	112.6	H304 A305 V306 S311 S312 L408	H304-K308 WeakPolarHBondContact O-CB 3.46Å; H304-K308 PolarHBondContact O-N 2.75Å; A305-K308 PolarHBondContact O-N 3.48Å; V306-K308 VanDerWaalsContact C-N 3.32Å; V306-K308 PolarHBondContact O-N 3.05Å; K308-S311 PolarHBondContact O-OG 2.99Å; K308-S312 VanDerWaalsContact O-CB 3.29Å; K308-S312 WeakPolarHBondContact O-CB 3.38Å; K308-S312 PolarHBondContact O-N 3.19Å; K308-S312 PolarHBondContact O-OG 3.35Å; K308-S312 VanDerWaalsContact O-OG 3.08Å; K308-L408 HydrophobicContact CB-CD1 3.77Å; K308-L408 HydrophobicContact CD-CD1 4.38Å
309	A	95.7	Very high	94.3	Very high	7 Å²	7	35.6 Å²	35.6	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-44.7	176.1	0	0	0	0	0	111.3	S213 A305 V306 T307 S312 G313 L314	S213-A309 WeakPolarHBondContact OG-CB 3.4Å; A305-A309 WeakPolarHBondContact O-CB 3.01Å; A305-A309 PolarHBondContact O-N 3.46Å; V306-A309 PolarHBondContact O-N 2.94Å; T307-A309 VanDerWaalsContact C-N 3.33Å; T307-A309 PolarHBondContact O-N 3.41Å; A309-S312 WeakPolarHBondContact CA-OG 3.46Å; A309-S312 PolarHBondContact O-N 3Å; A309-S312 PolarHBondContact O-OG 3.41Å; A309-G313 PolarHBondContact O-N 2.81Å; A309-L314 HydrophobicContact CB-CB 4.27Å; A309-L314 HydrophobicContact CB-CD2 4.04Å; A309-L314 WeakPolarHBondContact O-CB 3.35Å; A309-L314 PolarHBondContact O-N 2.86Å
310	C	95.9	Very high	94	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.027	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-47.3	176.4	-64.8	0	0	0	0	112.7	V306 T307 S312 G313 C318 F344	V306-C310 PolarHBondContact O-N 3.03Å; V306-C310 PolarHBondContact O-SG 3.11Å; T307-C310 PolarHBondContact O-N 3.5Å; C310-S312 VanDerWaalsContact C-N 3.31Å; C310-S312 PolarHBondContact O-N 3.2Å; C310-G313 PolarHBondContact O-N 2.99Å; C310-C318 VanDerWaalsContact CA-SG 3.52Å; C310-C318 HydrophobicContact CB-CB 3.75Å; C310-C318 WeakPolarHBondContact CB-SG 3.43Å; C310-C318 WeakPolarHBondContact SG-CB 3.45Å; C310-C318 CovalentContact SG-SG 2.03Å; C310-C318 PolarHBondContact SG-SG 3Å; C310-F344 WeakPolarHBondContact SG-CE1 3.3Å
311	S	95.5	Very high	93.8	Very high	17 Å²	17	38.1 Å²	38.1	12%	0.119	23%	0.232	C	C	.	.	H	α-helix	trans	-72.2	-24.5	-179.9	62.3	0	0	0	0	113.8	T307 K308 G313 C338 D340	T307-S311 PolarHBondContact O-N 2.88Å; T307-S311 PolarHBondContact O-OG 3.48Å; K308-S311 PolarHBondContact O-OG 2.99Å; S311-G313 PolarHBondContact O-N 2.85Å; S311-C338 VanDerWaalsContact CA-SG 3.57Å; S311-C338 VanDerWaalsContact CB-SG 3.59Å; S311-C338 PolarHBondContact O-SG 2.93Å; S311-D340 WeakPolarHBondContact CB-OD1 3.32Å; S311-D340 PolarHBondContact OG-OD1 3.29Å
312	S	94.3	Very high	93.2	Very high	79 Å²	79	45.1 Å²	45.1	55%	0.552	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-5.7	172.1	68.3	0	0	0	0	114.2	K308 A309 C310 L314	K308-S312 VanDerWaalsContact O-CB 3.29Å; K308-S312 WeakPolarHBondContact O-CB 3.38Å; K308-S312 PolarHBondContact O-N 3.19Å; K308-S312 PolarHBondContact O-OG 3.35Å; K308-S312 VanDerWaalsContact O-OG 3.08Å; A309-S312 WeakPolarHBondContact CA-OG 3.46Å; A309-S312 PolarHBondContact O-N 3Å; A309-S312 PolarHBondContact O-OG 3.41Å; C310-S312 VanDerWaalsContact C-N 3.31Å; C310-S312 PolarHBondContact O-N 3.2Å; S312-L314 VanDerWaalsContact C-N 3.32Å
313	G	92.2	Very high	92.5	Very high	59 Å²	59	49.9 Å²	49.9	61%	0.608	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	22.2	-175.8	0	0	0	0	0	113.8	A309 C310 S311 H315	A309-G313 PolarHBondContact O-N 2.81Å; C310-G313 PolarHBondContact O-N 2.99Å; S311-G313 PolarHBondContact O-N 2.85Å; G313-H315 VanDerWaalsContact C-N 3.28Å; G313-H315 PolarHBondContact O-N 2.83Å
314	L	86.6	Confident	91.6	Very high	102 Å²	102	50.4 Å²	50.4	53%	0.534	29%	0.29	S	S	.	.			trans	-71.4	-24.8	178.3	-175.4	60.6	0	0	0	112.5	A309 S312	A309-L314 HydrophobicContact CB-CB 4.27Å; A309-L314 HydrophobicContact CB-CD2 4.04Å; A309-L314 WeakPolarHBondContact O-CB 3.35Å; A309-L314 PolarHBondContact O-N 2.86Å; S312-L314 VanDerWaalsContact C-N 3.32Å
315	H	85.1	Confident	90.2	Very high	15 Å²	15	53.6 Å²	53.6	7%	0.069	30%	0.302	C	S	.	.			trans	-131.7	132.2	-174.9	-58	-63.2	0	0	0	111.4	H209 L210 S213 G313 N317 C318	H209-H315 VanDerWaalsContact C-CE1 3.45Å; H209-H315 PolarHBondContact O-CE1 3.29Å; H209-H315 PolarHBondContact O-ND1 3.02Å; L210-H315 HydrophobicContact CD2-CB 3.97Å; L210-H315 WeakPolarHBondContact CD2-CD2 3.4Å; S213-H315 PolarHBondContact OG-NE2 3.47Å; G313-H315 VanDerWaalsContact C-N 3.28Å; G313-H315 PolarHBondContact O-N 2.83Å; H315-N317 PolarHBondContact O-N 2.86Å; H315-C318 VanDerWaalsContact O-O 3.07Å
316	D	82.1	Confident	88.6	Confident	164 Å²	164	60.1 Å²	60.1	88%	0.877	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.9	-174.7	-59.3	-39.5	0	0	0	114.1	C318	D316-C318 VanDerWaalsContact C-N 3.31Å; D316-C318 PolarHBondContact O-N 3.45Å
317	N	83.9	Confident	86.8	Confident	110 Å²	110	65 Å²	65	59%	0.588	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	3.2	-174.4	-67.4	-20.3	0	0	0	113.9	H315	H315-N317 PolarHBondContact O-N 2.86Å
318	C	92.1	Very high	85.1	Confident	23 Å²	23	70.3 Å²	70.3	16%	0.155	39%	0.393	C	S	.	.			trans	-149.3	170.3	176.6	60.8	0	0	0	0	110	C310 H315 D316 F344	C310-C318 VanDerWaalsContact CA-SG 3.52Å; C310-C318 HydrophobicContact CB-CB 3.75Å; C310-C318 WeakPolarHBondContact CB-SG 3.43Å; C310-C318 WeakPolarHBondContact SG-CB 3.45Å; C310-C318 CovalentContact SG-SG 2.03Å; C310-C318 PolarHBondContact SG-SG 3Å; H315-C318 VanDerWaalsContact O-O 3.07Å; D316-C318 VanDerWaalsContact C-N 3.31Å; D316-C318 PolarHBondContact O-N 3.45Å; C318-F344 HydrophobicContact CB-CD1 3.96Å; C318-F344 HydrophobicContact CB-CD2 4.42Å; C318-F344 HydrophobicContact CB-CE1 3.47Å; C318-F344 VanDerWaalsContact CB-CE1 3.47Å; C318-F344 HydrophobicContact CB-CE2 3.96Å; C318-F344 HydrophobicContact CB-CG 4.42Å; C318-F344 HydrophobicContact CB-CZ 3.47Å; C318-F344 VanDerWaalsContact CB-CZ 3.47Å
319	G	92.6	Very high	83.4	Confident	28 Å²	28	76.8 Å²	76.8	29%	0.289	41%	0.414	S	S	.	.			trans	-170.8	-158.4	-177.6	0	0	0	0	0	113.4
320	C	94.1	Very high	82.5	Confident	46 Å²	46	81.4 Å²	81.4	31%	0.311	44%	0.435	S	S	.	.			trans	-63.7	156.4	179.4	-42.7	0	0	0	0	112.4	R322 C338 S339	C320-R322 PolarHBondContact O-N 3.35Å; C320-C338 HydrophobicContact CB-CB 4.04Å; C320-C338 WeakPolarHBondContact CB-SG 3.33Å; C320-C338 VanDerWaalsContact SG-CA 3.59Å; C320-C338 WeakPolarHBondContact SG-CB 3.48Å; C320-C338 CovalentContact SG-SG 2.02Å; C320-C338 PolarHBondContact SG-SG 3.08Å; C320-S339 CarbonylContact C-O 3.54Å; C320-S339 VanDerWaalsContact CA-O 3.29Å; C320-S339 WeakPolarHBondContact CA-O 3.22Å
321	D	93.5	Very high	81.7	Confident	7 Å²	7	86.8 Å²	86.8	4%	0.037	47%	0.47	C	S	.	.			trans	-72.5	119.3	167.6	-164.3	-18.8	0	0	0	109.8	T323 I324 S339 N341	D321-T323 WeakPolarHBondContact OD1-CB 3.38Å; D321-T323 PolarHBondContact OD1-N 2.85Å; D321-T323 PolarHBondContact OD1-OG1 2.85Å; D321-I324 HydrophobicContact CB-CD1 3.82Å; D321-I324 HydrophobicContact CB-CG1 4.38Å; D321-I324 WeakPolarHBondContact OD2-CD1 3.44Å; D321-S339 PolarHBondContact N-O 3.37Å; D321-N341 HydrophobicContact CB-CB 3.99Å
322	R	86.5	Confident	81.1	Confident	147 Å²	147	90.4 Å²	90.4	56%	0.555	49%	0.488	S	S	*	.			trans	-100.6	-2.1	179.9	-62.5	-178.2	179	173.5	-0.9	112.8	C320	C320-R322 PolarHBondContact O-N 3.35Å
323	T	85.1	Confident	80.7	Confident	101 Å²	101	87.9 Å²	87.9	62%	0.62	47%	0.467	S	S	*	.	S	Bend	trans	-89	-10.9	-175	66.3	0	0	0	0	113.5	D321	D321-T323 WeakPolarHBondContact OD1-CB 3.38Å; D321-T323 PolarHBondContact OD1-N 2.85Å; D321-T323 PolarHBondContact OD1-OG1 2.85Å
324	I	78.1	Confident	80.5	Confident	10 Å²	10	90.7 Å²	90.7	5%	0.051	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-82.7	-19.3	-173.6	-62.7	170.3	0	0	0	112.6	D321 D326 H327 W335 R406	D321-I324 HydrophobicContact CB-CD1 3.82Å; D321-I324 HydrophobicContact CB-CG1 4.38Å; D321-I324 WeakPolarHBondContact OD2-CD1 3.44Å; I324-D326 PolarHBondContact O-N 2.99Å; I324-D326 VanDerWaalsContact O-N 3.08Å; I324-H327 PolarHBondContact O-CD2 3.38Å; I324-H327 PolarHBondContact O-N 3.3Å; I324-W335 HydrophobicContact CG2-CD2 3.77Å; I324-W335 HydrophobicContact CG2-CE3 3.87Å; I324-W335 HydrophobicContact CG2-CH2 3.7Å; I324-W335 HydrophobicContact CG2-CZ2 3.58Å; I324-W335 HydrophobicContact CG2-CZ3 3.84Å; I324-R406 HydrophobicContact CD1-CB 3.78Å; I324-R406 VanDerWaalsContact CD1-CD 3.43Å; I324-R406 HydrophobicContact CD1-CG 4.27Å
325	Y	70.7	Confident	80.6	Confident	93 Å²	93	87.9 Å²	87.9	37%	0.365	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-70.2	-6.4	-176.1	-62.1	-78.4	0	0	0	113.8	H327 W335 G337	Y325-H327 VanDerWaalsContact C-N 3.35Å; Y325-W335 HydrophobicContact CD1-CB 3.52Å; Y325-W335 HydrophobicContact CD1-CG 4.41Å; Y325-W335 HydrophobicContact CE1-CB 3.68Å; Y325-G337 PolarHBondContact OH-O 3.44Å
326	D	65	Low	80.6	Confident	145 Å²	145	88.6 Å²	88.6	78%	0.775	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-89.3	8.3	-179.6	-63	-27.7	0	0	0	113.7	I324	I324-D326 PolarHBondContact O-N 2.99Å; I324-D326 VanDerWaalsContact O-N 3.08Å
327	H	58.5	Low	80.9	Confident	102 Å²	102	83.8 Å²	83.8	47%	0.472	44%	0.442	S	S	.	.	S	Bend	trans	-75.9	147.6	179	-66.9	-45.6	0	0	0	113.5	I324 Y325 R329 W335	I324-H327 PolarHBondContact O-CD2 3.38Å; I324-H327 PolarHBondContact O-N 3.3Å; Y325-H327 VanDerWaalsContact C-N 3.35Å; H327-R329 PolarHBondContact O-N 2.68Å; H327-W335 AromaticContact CD2-CE2 3.9Å; H327-W335 AromaticContact CD2-CZ2 3.73Å; H327-W335 AromaticContact CD2-NE1 3.73Å
328	P	62.4	Low	81.3	Confident	112 Å²	112	80.3 Å²	80.3	73%	0.727	43%	0.426	S	S	*	.			trans	-54.1	133.4	177.3	-21.4	30.9	0	0	0	111.2	E330	P328-E330 PolarHBondContact O-N 3.25Å
329	R	61.6	Low	81.4	Confident	242 Å²	242	79.2 Å²	79.2	91%	0.913	42%	0.419	S	S	*	.			trans	-61.8	105	177.7	-70.9	-178.1	178.6	177	-1.7	109.6	H327	H327-R329 PolarHBondContact O-N 2.68Å
330	E	76.3	Confident	81.6	Confident	104 Å²	104	78 Å²	78	49%	0.486	41%	0.406	S	S	.	.			trans	-64.7	142.9	160.7	-73.5	178.4	-162.9	0	0	108.7	P328 N332 F333 R402	P328-E330 PolarHBondContact O-N 3.25Å; E330-N332 PolarHBondContact O-N 3.06Å; E330-F333 HydrophobicContact CB-CB 3.76Å; E330-F333 HydrophobicContact CB-CD1 4.19Å; E330-F333 HydrophobicContact CB-CG 4.06Å; E330-F333 PolarHBondContact O-N 3.44Å; E330-R402 IonicContact OE2-NH2 2.95Å; E330-R402 PolarHBondContact OE2-NH2 2.99Å
331	P	78.9	Confident	81.7	Confident	117 Å²	117	77.7 Å²	77.7	76%	0.76	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	141	175.3	22.8	-30.5	0	0	0	110.3	F333	P331-F333 PolarHBondContact O-N 3.38Å; P331-F333 VanDerWaalsContact O-N 3.12Å
332	N	82.7	Confident	81.9	Confident	92 Å²	92	77.3 Å²	77.3	49%	0.492	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	20.9	176.8	-63.4	-3	0	0	0	114.6	E330 E400 M401 R402	E330-N332 PolarHBondContact O-N 3.06Å; N332-E400 WeakPolarHBondContact CB-O 3.46Å; N332-E400 PolarHBondContact ND2-O 3.45Å; N332-M401 CarbonylContact O-C 3.51Å; N332-M401 WeakPolarHBondContact O-CA 3.43Å; N332-R402 WeakPolarHBondContact O-CG 3.37Å; N332-R402 PolarHBondContact O-N 3.46Å
333	F	87	Confident	82.3	Confident	26 Å²	26	74.5 Å²	74.5	11%	0.114	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.8	-176.6	170.9	-79.7	0	0	0	110.5	E330 P331 W335 V388 R402 C404	E330-F333 HydrophobicContact CB-CB 3.76Å; E330-F333 HydrophobicContact CB-CD1 4.19Å; E330-F333 HydrophobicContact CB-CG 4.06Å; E330-F333 PolarHBondContact O-N 3.44Å; P331-F333 PolarHBondContact O-N 3.38Å; P331-F333 VanDerWaalsContact O-N 3.12Å; F333-W335 AromaticContact CE1-CD1 3.8Å; F333-W335 AromaticContact CE1-CD2 3.94Å; F333-W335 HydrophobicContact CE1-CD2 3.94Å; F333-W335 AromaticContact CE1-CE2 3.68Å; F333-W335 HydrophobicContact CE1-CG 4.02Å; F333-W335 HydrophobicContact CE1-CZ2 4.24Å; F333-W335 AromaticContact CE1-NE1 3.57Å; F333-W335 AromaticContact CZ-CD2 3.86Å; F333-W335 HydrophobicContact CZ-CD2 3.86Å; F333-W335 AromaticContact CZ-CE2 3.62Å; F333-W335 HydrophobicContact CZ-CE3 4.21Å; F333-W335 HydrophobicContact CZ-CG 4.39Å; F333-W335 HydrophobicContact CZ-CH2 4.15Å; F333-W335 AromaticContact CZ-CZ2 3.78Å; F333-W335 HydrophobicContact CZ-CZ2 3.78Å; F333-W335 HydrophobicContact CZ-CZ3 4.35Å; F333-V388 HydrophobicContact CE2-CG1 4.36Å; F333-R402 WeakPolarHBondContact CA-O 3.24Å; F333-R402 HydrophobicContact CB-CG 4.49Å; F333-R402 HydrophobicContact CD2-CG 4.34Å; F333-C404 HydrophobicContact CD2-CB 4.21Å; F333-C404 WeakPolarHBondContact CD2-SG 3.4Å; F333-C404 HydrophobicContact CE2-CB 3.46Å; F333-C404 VanDerWaalsContact CE2-CB 3.46Å; F333-C404 WeakPolarHBondContact CE2-SG 3.49Å; F333-C404 HydrophobicContact CZ-CB 3.84Å
334	E	87.6	Confident	82.8	Confident	118 Å²	118	71.1 Å²	71.1	55%	0.551	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.2	173.3	-168.9	176.2	-176.7	0	0	111.1	R402 T403 C404	E334-R402 PolarHBondContact N-O 2.98Å; E334-T403 CarbonylContact O-C 3.53Å; E334-T403 VanDerWaalsContact O-CA 3.29Å; E334-T403 WeakPolarHBondContact O-CA 3.06Å; E334-C404 PolarHBondContact O-N 3.17Å
335	W	88	Confident	83.7	Confident	43 Å²	43	70.6 Å²	70.6	16%	0.163	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	132.5	168.6	-72.9	112.4	0	0	0	110.2	I324 Y325 H327 F333 V388	I324-W335 HydrophobicContact CG2-CD2 3.77Å; I324-W335 HydrophobicContact CG2-CE3 3.87Å; I324-W335 HydrophobicContact CG2-CH2 3.7Å; I324-W335 HydrophobicContact CG2-CZ2 3.58Å; I324-W335 HydrophobicContact CG2-CZ3 3.84Å; Y325-W335 HydrophobicContact CD1-CB 3.52Å; Y325-W335 HydrophobicContact CD1-CG 4.41Å; Y325-W335 HydrophobicContact CE1-CB 3.68Å; H327-W335 AromaticContact CD2-CE2 3.9Å; H327-W335 AromaticContact CD2-CZ2 3.73Å; H327-W335 AromaticContact CD2-NE1 3.73Å; F333-W335 AromaticContact CE1-CD1 3.8Å; F333-W335 AromaticContact CE1-CD2 3.94Å; F333-W335 HydrophobicContact CE1-CD2 3.94Å; F333-W335 AromaticContact CE1-CE2 3.68Å; F333-W335 HydrophobicContact CE1-CG 4.02Å; F333-W335 HydrophobicContact CE1-CZ2 4.24Å; F333-W335 AromaticContact CE1-NE1 3.57Å; F333-W335 AromaticContact CZ-CD2 3.86Å; F333-W335 HydrophobicContact CZ-CD2 3.86Å; F333-W335 AromaticContact CZ-CE2 3.62Å; F333-W335 HydrophobicContact CZ-CE3 4.21Å; F333-W335 HydrophobicContact CZ-CG 4.39Å; F333-W335 HydrophobicContact CZ-CH2 4.15Å; F333-W335 AromaticContact CZ-CZ2 3.78Å; F333-W335 HydrophobicContact CZ-CZ2 3.78Å; F333-W335 HydrophobicContact CZ-CZ3 4.35Å; W335-V388 HydrophobicContact CH2-CG1 4.07Å; W335-V388 HydrophobicContact CH2-CG2 3.89Å; W335-V388 HydrophobicContact CZ3-CG1 4.13Å
336	S	85.5	Confident	85	Confident	30 Å²	30	66.4 Å²	66.4	21%	0.21	35%	0.348	C	S	.	.			trans	-147.5	164.9	-175.1	70	0	0	0	0	111.7	T403 C404 W405	S336-T403 VanDerWaalsContact OG-CB 3.31Å; S336-T403 WeakPolarHBondContact OG-CB 3.34Å; S336-C404 PolarHBondContact N-O 2.96Å; S336-C404 PolarHBondContact OG-O 3.16Å; S336-W405 WeakPolarHBondContact O-CB 3.27Å
337	G	88.9	Confident	86.4	Confident	63 Å²	63	61.6 Å²	61.6	65%	0.649	32%	0.32	S	S	*	.	S	Bend	trans	72.1	-145.6	170	0	0	0	0	0	113.9	Y325	Y325-G337 PolarHBondContact OH-O 3.44Å
338	C	93	Very high	88.2	Confident	37 Å²	37	57 Å²	57	25%	0.25	30%	0.299	C	S	.	.			trans	-116.2	106.4	-178	-176.9	0	0	0	0	109.8	S311 C320	S311-C338 VanDerWaalsContact CA-SG 3.57Å; S311-C338 VanDerWaalsContact CB-SG 3.59Å; S311-C338 PolarHBondContact O-SG 2.93Å; C320-C338 HydrophobicContact CB-CB 4.04Å; C320-C338 WeakPolarHBondContact CB-SG 3.33Å; C320-C338 VanDerWaalsContact SG-CA 3.59Å; C320-C338 WeakPolarHBondContact SG-CB 3.48Å; C320-C338 CovalentContact SG-SG 2.02Å; C320-C338 PolarHBondContact SG-SG 3.08Å
339	S	94.5	Very high	89.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.			trans	-74.3	134.4	170.8	-73.7	0	0	0	0	110.7	C320 D321 N341 R406	C320-S339 CarbonylContact C-O 3.54Å; C320-S339 VanDerWaalsContact CA-O 3.29Å; C320-S339 WeakPolarHBondContact CA-O 3.22Å; D321-S339 PolarHBondContact N-O 3.37Å; S339-N341 PolarHBondContact O-N 3.36Å; S339-R406 CarbonylContact C-O 3.58Å; S339-R406 WeakPolarHBondContact CA-O 3.35Å; S339-R406 PolarHBondContact OG-N 2.94Å
340	D	95.8	Very high	91.6	Very high	4 Å²	4	44 Å²	44	2%	0.021	24%	0.236	C	C	.	.			trans	-68.1	114.9	179.1	-77.7	-26.8	0	0	0	111.1	T307 S311 I342 M386 R406 S407 L408	T307-D340 HydrophobicContact CG2-CB 3.77Å; S311-D340 WeakPolarHBondContact CB-OD1 3.32Å; S311-D340 PolarHBondContact OG-OD1 3.29Å; D340-I342 PolarHBondContact O-N 2.65Å; D340-M386 HydrophobicContact CB-CE 3.74Å; D340-R406 PolarHBondContact N-O 2.9Å; D340-S407 WeakPolarHBondContact OD2-CA 3.39Å; D340-L408 HydrophobicContact CB-CG 3.98Å; D340-L408 WeakPolarHBondContact OD2-CG 3.49Å; D340-L408 PolarHBondContact OD2-N 2.87Å
341	N	96.2	Very high	92.5	Very high	38 Å²	38	42.2 Å²	42.2	20%	0.203	23%	0.227	C	C	.	.			trans	-78.5	82.8	176	-171.4	-15.5	0	0	0	111.2	T307 D321 S339 Y343 F344	T307-N341 VanDerWaalsContact CG2-C 3.45Å; T307-N341 VanDerWaalsContact CG2-O 3.3Å; T307-N341 WeakPolarHBondContact CG2-O 3.05Å; T307-N341 PolarHBondContact OG1-O 3.43Å; D321-N341 HydrophobicContact CB-CB 3.99Å; S339-N341 PolarHBondContact O-N 3.36Å; N341-Y343 VanDerWaalsContact C-N 3.31Å; N341-Y343 PolarHBondContact O-N 3.49Å; N341-Y343 PolarHBondContact OD1-N 2.94Å; N341-F344 HydrophobicContact CB-CB 4.34Å; N341-F344 PolarHBondContact OD1-N 2.88Å
342	I	96.7	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-32.9	179.4	-175.9	53.8	0	0	0	112.8	T307 D340 F344 G345 A346 V382 I383 M386 L408	T307-I342 WeakPolarHBondContact OG1-CA 3.45Å; D340-I342 PolarHBondContact O-N 2.65Å; I342-F344 VanDerWaalsContact C-N 3.3Å; I342-F344 PolarHBondContact O-N 3.45Å; I342-G345 PolarHBondContact O-N 3.38Å; I342-A346 VanDerWaalsContact O-CB 3.32Å; I342-A346 WeakPolarHBondContact O-CB 3.32Å; I342-A346 PolarHBondContact O-N 3.01Å; I342-V382 HydrophobicContact CD1-CB 3.93Å; I342-V382 HydrophobicContact CD1-CG1 3.38Å; I342-V382 HydrophobicContact CG1-CB 4.4Å; I342-V382 HydrophobicContact CG1-CG1 4.01Å; I342-I383 HydrophobicContact CG1-CB 4.46Å; I342-I383 HydrophobicContact CG1-CG1 3.69Å; I342-I383 HydrophobicContact CG2-CG1 4.29Å; I342-M386 HydrophobicContact CB-CE 4.05Å; I342-M386 HydrophobicContact CB-CG 4.22Å; I342-M386 HydrophobicContact CB-SD 3.71Å; I342-M386 HydrophobicContact CG1-SD 4.06Å; I342-M386 HydrophobicContact CG2-CE 4.15Å; I342-M386 HydrophobicContact CG2-CG 3.73Å; I342-M386 HydrophobicContact CG2-SD 3.9Å; I342-L408 HydrophobicContact CD1-CD2 3.83Å
343	Y	96.2	Very high	93.9	Very high	88 Å²	88	34.1 Å²	34.1	35%	0.345	18%	0.177	S	C	.	.	H	α-helix	trans	-62.6	-39.9	-178.9	-65.5	-75.1	0	0	0	111.5	T145 N341 E347 I383	T145-Y343 HydrophobicContact CG2-CD1 4.38Å; N341-Y343 VanDerWaalsContact C-N 3.31Å; N341-Y343 PolarHBondContact O-N 3.49Å; N341-Y343 PolarHBondContact OD1-N 2.94Å; Y343-E347 WeakPolarHBondContact O-CB 3.43Å; Y343-E347 PolarHBondContact O-N 3.48Å; Y343-I383 HydrophobicContact CE1-CG2 3.9Å
344	F	95.8	Very high	94.4	Very high	29 Å²	29	32.9 Å²	32.9	13%	0.127	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-50.4	172.9	178.9	-90.6	0	0	0	112.4	M139 L210 V306 C310 C318 N341 I342 E347 F348	M139-F344 HydrophobicContact CE-CD2 3.98Å; M139-F344 HydrophobicContact CE-CE2 3.78Å; L210-F344 HydrophobicContact CD1-CE1 4.04Å; L210-F344 HydrophobicContact CD1-CZ 3.95Å; V306-F344 HydrophobicContact CG1-CD1 4.15Å; V306-F344 HydrophobicContact CG1-CE1 3.9Å; C310-F344 WeakPolarHBondContact SG-CE1 3.3Å; C318-F344 HydrophobicContact CB-CD1 3.96Å; C318-F344 HydrophobicContact CB-CD2 4.42Å; C318-F344 HydrophobicContact CB-CE1 3.47Å; C318-F344 VanDerWaalsContact CB-CE1 3.47Å; C318-F344 HydrophobicContact CB-CE2 3.96Å; C318-F344 HydrophobicContact CB-CG 4.42Å; C318-F344 HydrophobicContact CB-CZ 3.47Å; C318-F344 VanDerWaalsContact CB-CZ 3.47Å; N341-F344 HydrophobicContact CB-CB 4.34Å; N341-F344 PolarHBondContact OD1-N 2.88Å; I342-F344 VanDerWaalsContact C-N 3.3Å; I342-F344 PolarHBondContact O-N 3.45Å; F344-E347 PolarHBondContact O-N 3.29Å; F344-F348 WeakPolarHBondContact O-CB 3.43Å; F344-F348 PolarHBondContact O-N 3.28Å
345	G	96.4	Very high	94.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-40.7	-178	0	0	0	0	0	113.2	T307 I342 F348 S349	T307-G345 WeakPolarHBondContact OG1-CA 3.39Å; T307-G345 PolarHBondContact OG1-N 2.9Å; I342-G345 PolarHBondContact O-N 3.38Å; G345-F348 PolarHBondContact O-N 3Å; G345-S349 WeakPolarHBondContact O-CB 3.28Å; G345-S349 PolarHBondContact O-N 2.88Å
346	A	97.9	Very high	94.9	Very high	5 Å²	5	29.8 Å²	29.8	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-42.1	174.3	0	0	0	0	0	111.8	I342 S349 R350 R379 I383	I342-A346 VanDerWaalsContact O-CB 3.32Å; I342-A346 WeakPolarHBondContact O-CB 3.32Å; I342-A346 PolarHBondContact O-N 3.01Å; A346-S349 WeakPolarHBondContact O-CB 3.46Å; A346-S349 PolarHBondContact O-N 3.41Å; A346-R350 WeakPolarHBondContact O-CB 3.46Å; A346-R350 PolarHBondContact O-N 3.36Å; A346-R379 HydrophobicContact CB-CB 4.19Å; A346-R379 WeakPolarHBondContact O-CD 3.48Å; A346-I383 HydrophobicContact CB-CD1 3.87Å; A346-I383 HydrophobicContact CB-CG1 4.28Å
347	E	95.2	Very high	95.4	Very high	43 Å²	43	28.8 Å²	28.8	20%	0.201	15%	0.148	C	C	.	.	H	α-helix	trans	-66.6	-43.6	177.8	178.7	53	-155.5	0	0	111.7	Y343 F344 S349 R350 Q351	Y343-E347 WeakPolarHBondContact O-CB 3.43Å; Y343-E347 PolarHBondContact O-N 3.48Å; F344-E347 PolarHBondContact O-N 3.29Å; E347-S349 VanDerWaalsContact C-N 3.35Å; E347-S349 PolarHBondContact O-N 3.4Å; E347-R350 WeakPolarHBondContact O-CB 3.23Å; E347-R350 PolarHBondContact O-N 3.3Å; E347-R350 IonicContact OE1-CZ 3.7Å; E347-R350 IonicContact OE1-NE 3.5Å; E347-R350 PolarHBondContact OE1-NE 3.32Å; E347-R350 IonicContact OE1-NH2 3.6Å; E347-R350 PolarHBondContact OE1-NH2 3.25Å; E347-R350 IonicContact OE2-CZ 3.64Å; E347-R350 IonicContact OE2-NE 2.88Å; E347-R350 PolarHBondContact OE2-NE 2.96Å; E347-R350 IonicContact OE2-NH2 3.33Å; E347-R350 PolarHBondContact OE2-NH2 2.91Å; E347-Q351 WeakPolarHBondContact O-CG 3.34Å; E347-Q351 PolarHBondContact O-N 3.3Å; E347-Q351 VanDerWaalsContact OE1-CG 3.31Å; E347-Q351 WeakPolarHBondContact OE1-CG 3.38Å; E347-Q351 PolarHBondContact OE1-NE2 2.83Å
348	F	95.3	Very high	95.6	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-58.4	-48.2	173.9	-170	-83	0	0	0	111.5	Y207 L210 M211 V214 V306 F344 G345 R350 Q351 F352	Y207-F348 HydrophobicContact CD1-CE2 4.27Å; Y207-F348 AromaticContact CD2-CE2 3.72Å; Y207-F348 HydrophobicContact CD2-CE2 3.72Å; Y207-F348 HydrophobicContact CE2-CE2 4.41Å; Y207-F348 HydrophobicContact CG-CD2 4.48Å; Y207-F348 AromaticContact CG-CE2 3.63Å; Y207-F348 HydrophobicContact CG-CE2 3.63Å; Y207-F348 HydrophobicContact CG-CZ 4.48Å; L210-F348 HydrophobicContact CB-CZ 4.36Å; L210-F348 HydrophobicContact CD1-CD2 3.75Å; L210-F348 HydrophobicContact CD1-CE2 3.71Å; L210-F348 HydrophobicContact CD1-CG 4.41Å; L210-F348 HydrophobicContact CD1-CZ 4.35Å; M211-F348 HydrophobicContact CE-CE1 3.77Å; M211-F348 HydrophobicContact CE-CZ 3.37Å; V214-F348 HydrophobicContact CG2-CD1 4.04Å; V214-F348 HydrophobicContact CG2-CE1 3.41Å; V214-F348 VanDerWaalsContact CG2-CE1 3.41Å; V214-F348 HydrophobicContact CG2-CZ 4.32Å; V306-F348 HydrophobicContact CG1-CB 4.32Å; V306-F348 HydrophobicContact CG1-CG 4.45Å; V306-F348 HydrophobicContact CG2-CD1 4.25Å; F344-F348 WeakPolarHBondContact O-CB 3.43Å; F344-F348 PolarHBondContact O-N 3.28Å; G345-F348 PolarHBondContact O-N 3Å; F348-R350 VanDerWaalsContact C-N 3.31Å; F348-R350 PolarHBondContact O-N 3.48Å; F348-Q351 PolarHBondContact O-N 2.83Å; F348-F352 HydrophobicContact CD1-CB 4.49Å; F348-F352 HydrophobicContact CE1-CB 4.08Å; F348-F352 HydrophobicContact CE1-CG 4.35Å; F348-F352 WeakPolarHBondContact O-CB 3.43Å; F348-F352 PolarHBondContact O-N 3.4Å
349	S	98	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.5	-45.8	175.8	178.2	0	0	0	0	111.5	S299 S303 G345 A346 E347 F352 L353	S299-S349 PolarHBondContact O-OG 3.06Å; S299-S349 VanDerWaalsContact O-OG 3.13Å; S299-S349 PolarHBondContact OG-OG 2.71Å; S303-S349 VanDerWaalsContact OG-CB 3.25Å; S303-S349 WeakPolarHBondContact OG-CB 3.26Å; S303-S349 PolarHBondContact OG-OG 3.03Å; G345-S349 WeakPolarHBondContact O-CB 3.28Å; G345-S349 PolarHBondContact O-N 2.88Å; A346-S349 WeakPolarHBondContact O-CB 3.46Å; A346-S349 PolarHBondContact O-N 3.41Å; E347-S349 VanDerWaalsContact C-N 3.35Å; E347-S349 PolarHBondContact O-N 3.4Å; S349-F352 PolarHBondContact O-N 2.85Å; S349-L353 WeakPolarHBondContact O-CB 3.14Å; S349-L353 PolarHBondContact O-N 3.44Å; S349-L353 WeakPolarHBondContact OG-CD1 3.29Å
350	R	97.8	Very high	95.4	Very high	81 Å²	81	31.9 Å²	31.9	31%	0.306	14%	0.139	S	C	.	.	H	α-helix	trans	-59.6	-51.7	175.7	-171.9	-169.9	74.6	91	2.8	111.9	A346 E347 F348 F352 D354 R358	A346-R350 WeakPolarHBondContact O-CB 3.46Å; A346-R350 PolarHBondContact O-N 3.36Å; E347-R350 WeakPolarHBondContact O-CB 3.23Å; E347-R350 PolarHBondContact O-N 3.3Å; E347-R350 IonicContact OE1-CZ 3.7Å; E347-R350 IonicContact OE1-NE 3.5Å; E347-R350 PolarHBondContact OE1-NE 3.32Å; E347-R350 IonicContact OE1-NH2 3.6Å; E347-R350 PolarHBondContact OE1-NH2 3.25Å; E347-R350 IonicContact OE2-CZ 3.64Å; E347-R350 IonicContact OE2-NE 2.88Å; E347-R350 PolarHBondContact OE2-NE 2.96Å; E347-R350 IonicContact OE2-NH2 3.33Å; E347-R350 PolarHBondContact OE2-NH2 2.91Å; F348-R350 VanDerWaalsContact C-N 3.31Å; F348-R350 PolarHBondContact O-N 3.48Å; R350-F352 PolarHBondContact O-N 2.97Å; R350-D354 VanDerWaalsContact CG-OD2 3.28Å; R350-D354 WeakPolarHBondContact CG-OD2 3.27Å; R350-D354 WeakPolarHBondContact O-CB 3.5Å; R350-D354 PolarHBondContact O-N 3.19Å; R350-R358 VanDerWaalsContact NH1-NH2 3.18Å
351	Q	95.5	Very high	95.2	Very high	67 Å²	67	34.2 Å²	34.2	31%	0.313	15%	0.151	S	C	.	.	H	α-helix	trans	-62	-33.4	-178.5	-69.8	-177.1	17.4	0	0	112.4	L203 E347 F348 V355	L203-Q351 HydrophobicContact CD1-CB 3.91Å; L203-Q351 WeakPolarHBondContact CD1-O 3.26Å; E347-Q351 WeakPolarHBondContact O-CG 3.34Å; E347-Q351 PolarHBondContact O-N 3.3Å; E347-Q351 VanDerWaalsContact OE1-CG 3.31Å; E347-Q351 WeakPolarHBondContact OE1-CG 3.38Å; E347-Q351 PolarHBondContact OE1-NE2 2.83Å; F348-Q351 PolarHBondContact O-N 2.83Å; Q351-V355 WeakPolarHBondContact O-CG2 3.3Å
352	F	95.4	Very high	94.9	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-89.9	-50.4	-175	-169.6	-98.1	0	0	0	114	F196 Q200 L203 C204 M211 V214 F348 S349 R350	F196-F352 AromaticContact CD1-CZ 3.97Å; F196-F352 HydrophobicContact CD1-CZ 3.97Å; F196-F352 HydrophobicContact CE1-CE1 4.14Å; F196-F352 AromaticContact CE1-CZ 3.52Å; F196-F352 HydrophobicContact CE1-CZ 3.52Å; F196-F352 HydrophobicContact CE2-CZ 4.31Å; F196-F352 AromaticContact CZ-CZ 3.73Å; F196-F352 HydrophobicContact CZ-CZ 3.73Å; Q200-F352 HydrophobicContact CB-CD2 4.48Å; Q200-F352 HydrophobicContact CB-CE2 4.12Å; Q200-F352 WeakPolarHBondContact CG-O 3.5Å; Q200-F352 PolarHBondContact NE2-O 3.08Å; L203-F352 HydrophobicContact CB-CD2 4.26Å; C204-F352 HydrophobicContact CB-CE2 4.4Å; M211-F352 HydrophobicContact CE-CE2 4.29Å; M211-F352 HydrophobicContact SD-CE2 3.97Å; M211-F352 HydrophobicContact SD-CZ 4.14Å; V214-F352 HydrophobicContact CG1-CD1 4.04Å; V214-F352 HydrophobicContact CG1-CE1 3.86Å; F348-F352 HydrophobicContact CD1-CB 4.49Å; F348-F352 HydrophobicContact CE1-CB 4.08Å; F348-F352 HydrophobicContact CE1-CG 4.35Å; F348-F352 WeakPolarHBondContact O-CB 3.43Å; F348-F352 PolarHBondContact O-N 3.4Å; S349-F352 PolarHBondContact O-N 2.85Å; R350-F352 PolarHBondContact O-N 2.97Å
353	L	96	Very high	94.6	Very high	32 Å²	32	48.7 Å²	48.7	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-79.4	-32.3	-174.1	-62.1	-179.8	0	0	0	112.7	V302 S349 V355	V302-L353 HydrophobicContact CB-CD1 4.15Å; V302-L353 HydrophobicContact CG2-CD1 3.99Å; S349-L353 WeakPolarHBondContact O-CB 3.14Å; S349-L353 PolarHBondContact O-N 3.44Å; S349-L353 WeakPolarHBondContact OG-CD1 3.29Å; L353-V355 VanDerWaalsContact C-N 3.27Å; L353-V355 PolarHBondContact O-N 3.05Å
354	D	96.4	Very high	94.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-76.4	-12.6	-174.7	-65.4	-0.1	0	0	0	112.9	R350 R356 E357 R358 L372 N375 R379	R350-D354 VanDerWaalsContact CG-OD2 3.28Å; R350-D354 WeakPolarHBondContact CG-OD2 3.27Å; R350-D354 WeakPolarHBondContact O-CB 3.5Å; R350-D354 PolarHBondContact O-N 3.19Å; D354-R356 VanDerWaalsContact C-N 3.25Å; D354-R356 PolarHBondContact O-N 3.03Å; D354-E357 PolarHBondContact O-N 3.15Å; D354-E357 VanDerWaalsContact O-N 3.08Å; D354-R358 HydrophobicContact CB-CG 4.48Å; D354-R358 WeakPolarHBondContact O-CB 3.36Å; D354-R358 WeakPolarHBondContact O-CG 3.49Å; D354-R358 PolarHBondContact O-N 3.29Å; D354-L372 HydrophobicContact CB-CD2 3.52Å; D354-N375 PolarHBondContact OD1-ND2 3.04Å; D354-R379 IonicContact OD1-CZ 3.59Å; D354-R379 IonicContact OD1-NH1 3.2Å; D354-R379 PolarHBondContact OD1-NH1 3.13Å; D354-R379 IonicContact OD1-NH2 3.87Å; D354-R379 IonicContact OD2-CZ 3.97Å; D354-R379 IonicContact OD2-NH1 3Å; D354-R379 IonicContact OD2-NH2 3.26Å; D354-R379 PolarHBondContact OD2-NH2 3.42Å
355	V	94.8	Very high	94.4	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.036	21%	0.211	C	C	.	.	H	α-helix	trans	-54.5	-41.5	-177.2	-178.9	0	0	0	0	112.2	L197 R199 Q200 Q351 L353 N359	L197-V355 HydrophobicContact CB-CG1 3.99Å; L197-V355 HydrophobicContact CD1-CB 4.43Å; L197-V355 HydrophobicContact CD1-CG1 3.8Å; R199-V355 HydrophobicContact CB-CG1 3.89Å; R199-V355 HydrophobicContact CB-CG2 4.4Å; R199-V355 HydrophobicContact CG-CG2 4.26Å; Q200-V355 HydrophobicContact CG-CB 3.68Å; Q200-V355 HydrophobicContact CG-CG1 3.99Å; Q200-V355 HydrophobicContact CG-CG2 3.66Å; Q351-V355 WeakPolarHBondContact O-CG2 3.3Å; L353-V355 VanDerWaalsContact C-N 3.27Å; L353-V355 PolarHBondContact O-N 3.05Å; V355-N359 PolarHBondContact O-N 3.26Å; V355-N359 PolarHBondContact O-ND2 3.25Å
356	R	92.1	Very high	94.4	Very high	90 Å²	90	50.8 Å²	50.8	34%	0.34	23%	0.225	S	C	.	.	H	α-helix	trans	-67.3	-42.4	-180	-178.1	177.8	-73.4	-167.1	-1.8	111.3	L197 D281 D354 N359 R360	L197-R356 HydrophobicContact CD1-CB 3.96Å; L197-R356 HydrophobicContact CD1-CG 4.5Å; D281-R356 IonicContact OD1-NH1 3.71Å; D281-R356 PolarHBondContact OD1-NH1 3.43Å; D281-R356 VanDerWaalsContact OD1-NH1 3.13Å; D354-R356 VanDerWaalsContact C-N 3.25Å; D354-R356 PolarHBondContact O-N 3.03Å; R356-N359 PolarHBondContact O-N 3.37Å; R356-R360 PolarHBondContact O-N 2.99Å
357	E	94.6	Very high	94.3	Very high	9 Å²	9	50.9 Å²	50.9	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-74.4	-36.7	-177.1	-54.5	-50.1	132	0	0	112	D354 N359 R360 L361 N371 L372	D354-E357 PolarHBondContact O-N 3.15Å; D354-E357 VanDerWaalsContact O-N 3.08Å; E357-N359 VanDerWaalsContact C-N 3.34Å; E357-N359 PolarHBondContact O-N 3.05Å; E357-R360 CarbonylContact O-C 3.47Å; E357-R360 WeakPolarHBondContact O-CA 3.26Å; E357-R360 VanDerWaalsContact O-CB 3.28Å; E357-R360 WeakPolarHBondContact O-CB 3.1Å; E357-R360 PolarHBondContact O-N 3.13Å; E357-R360 IonicContact OE1-CZ 3.13Å; E357-R360 IonicContact OE1-NH1 3.51Å; E357-R360 PolarHBondContact OE1-NH1 3.02Å; E357-R360 IonicContact OE2-CZ 2.84Å; E357-R360 IonicContact OE2-NE 2.88Å; E357-R360 IonicContact OE2-NH1 3.93Å; E357-R360 PolarHBondContact OE2-NH1 3.21Å; E357-L361 PolarHBondContact O-N 3.23Å; E357-N371 HydrophobicContact CB-CB 4.39Å; E357-N371 HydrophobicContact CG-CB 3.81Å; E357-N371 WeakPolarHBondContact OE2-CB 3.46Å; E357-N371 PolarHBondContact OE2-ND2 3Å; E357-L372 HydrophobicContact CB-CD2 3.68Å; E357-L372 HydrophobicContact CB-CG 3.7Å
358	R	93.3	Very high	94.3	Very high	52 Å²	52	48.9 Å²	48.9	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-44.8	170.1	-71.9	177.7	-175.4	-83.7	-9.7	112	R350 D354 R360 L361 L372	R350-R358 VanDerWaalsContact NH1-NH2 3.18Å; D354-R358 HydrophobicContact CB-CG 4.48Å; D354-R358 WeakPolarHBondContact O-CB 3.36Å; D354-R358 WeakPolarHBondContact O-CG 3.49Å; D354-R358 PolarHBondContact O-N 3.29Å; R358-R360 PolarHBondContact O-N 2.87Å; R358-L361 WeakPolarHBondContact O-CB 3.33Å; R358-L361 PolarHBondContact O-N 3.37Å; R358-L372 HydrophobicContact CG-CD1 4.41Å; R358-L372 HydrophobicContact CG-CD2 4.18Å
359	N	90.8	Very high	94.4	Very high	58 Å²	58	50 Å²	50	31%	0.31	22%	0.222	S	C	.	.	H	α-helix	trans	-65.7	-29.3	174	-76.7	-42.8	0	0	0	112.6	V355 R356 E357	V355-N359 PolarHBondContact O-N 3.26Å; V355-N359 PolarHBondContact O-ND2 3.25Å; R356-N359 PolarHBondContact O-N 3.37Å; E357-N359 VanDerWaalsContact C-N 3.34Å; E357-N359 PolarHBondContact O-N 3.05Å
360	R	92.6	Very high	94.4	Very high	54 Å²	54	50 Å²	50	20%	0.204	22%	0.222	C	C	.	.	H	α-helix	trans	-71.2	-28.6	176.8	-173.7	172.4	-74.3	141.7	0.9	112.3	R356 E357 R358 K362 R363 N364 N371	R356-R360 PolarHBondContact O-N 2.99Å; E357-R360 CarbonylContact O-C 3.47Å; E357-R360 WeakPolarHBondContact O-CA 3.26Å; E357-R360 VanDerWaalsContact O-CB 3.28Å; E357-R360 WeakPolarHBondContact O-CB 3.1Å; E357-R360 PolarHBondContact O-N 3.13Å; E357-R360 IonicContact OE1-CZ 3.13Å; E357-R360 IonicContact OE1-NH1 3.51Å; E357-R360 PolarHBondContact OE1-NH1 3.02Å; E357-R360 IonicContact OE2-CZ 2.84Å; E357-R360 IonicContact OE2-NE 2.88Å; E357-R360 IonicContact OE2-NH1 3.93Å; E357-R360 PolarHBondContact OE2-NH1 3.21Å; R358-R360 PolarHBondContact O-N 2.87Å; R360-K362 PolarHBondContact O-N 3.01Å; R360-K362 VanDerWaalsContact O-N 3.15Å; R360-R363 PolarHBondContact O-N 2.8Å; R360-N364 HydrophobicContact CG-CB 4.3Å; R360-N364 CarbonylContact O-C 3.54Å; R360-N364 PolarHBondContact O-N 3.34Å; R360-N371 PolarHBondContact NH1-ND2 2.91Å
361	L	91.1	Very high	94.4	Very high	53 Å²	53	46.2 Å²	46.2	28%	0.277	21%	0.207	S	C	.	.	H	α-helix	trans	-51.4	-39	175.4	-68.6	174.5	0	0	0	112.7	E357 R358 R363 A365 L369 L372	E357-L361 PolarHBondContact O-N 3.23Å; R358-L361 WeakPolarHBondContact O-CB 3.33Å; R358-L361 PolarHBondContact O-N 3.37Å; L361-R363 VanDerWaalsContact C-N 3.27Å; L361-R363 PolarHBondContact O-N 3.49Å; L361-A365 PolarHBondContact O-N 3.37Å; L361-L369 HydrophobicContact CD2-CB 3.94Å; L361-L372 HydrophobicContact CD1-CD1 3.75Å; L361-L372 HydrophobicContact CD2-CD1 4.13Å; L361-L372 HydrophobicContact CG-CD1 4.03Å
362	K	89.9	Confident	94.5	Very high	121 Å²	121	43.2 Å²	43.2	53%	0.526	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.9	178.9	-60.6	-174.9	179.7	-175.6	0	113.8	R360	R360-K362 PolarHBondContact O-N 3.01Å; R360-K362 VanDerWaalsContact O-N 3.15Å
363	R	90.9	Very high	94.6	Very high	221 Å²	221	43 Å²	43	83%	0.834	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-34.2	-173.3	-62.7	180	-178.9	143.6	0.2	113.1	R360 L361	R360-R363 PolarHBondContact O-N 2.8Å; L361-R363 VanDerWaalsContact C-N 3.27Å; L361-R363 PolarHBondContact O-N 3.49Å
364	N	94.9	Very high	94.7	Very high	70 Å²	70	41.5 Å²	41.5	37%	0.374	19%	0.185	S	C	.	.			trans	-152	82.7	-178	-175.6	-15.8	0	0	0	107.8	R360 K366 L367 G368	R360-N364 HydrophobicContact CG-CB 4.3Å; R360-N364 CarbonylContact O-C 3.54Å; R360-N364 PolarHBondContact O-N 3.34Å; N364-K366 VanDerWaalsContact C-N 3.29Å; N364-K366 PolarHBondContact O-N 3.39Å; N364-L367 HydrophobicContact CB-CB 4.38Å; N364-L367 WeakPolarHBondContact ND2-CB 3.48Å; N364-L367 PolarHBondContact O-N 3.05Å; N364-L367 PolarHBondContact OD1-N 3.36Å; N364-G368 PolarHBondContact O-N 2.94Å
365	A	94	Very high	94.8	Very high	25 Å²	25	41.7 Å²	41.7	21%	0.207	19%	0.186	C	C	.	.	H	α-helix	trans	-58.5	-41.1	-179.5	0	0	0	0	0	112	L361 L367 G368 L369 Y430	L361-A365 PolarHBondContact O-N 3.37Å; A365-L367 PolarHBondContact O-N 3.1Å; A365-G368 PolarHBondContact O-N 3.34Å; A365-L369 VanDerWaalsContact O-CB 3.25Å; A365-L369 WeakPolarHBondContact O-CB 3.26Å; A365-L369 PolarHBondContact O-N 3.38Å; A365-Y430 HydrophobicContact CB-CD1 4.49Å; A365-Y430 HydrophobicContact CB-CE1 3.87Å; A365-Y430 HydrophobicContact CB-CE2 3.95Å
366	K	95.7	Very high	95	Very high	67 Å²	67	42.8 Å²	42.8	29%	0.291	19%	0.189	S	C	.	.	H	α-helix	trans	-52.5	-55.9	176.6	-173.7	-175.5	-167.5	-161.6	0	111.3	N364 T370 Y430 I502	N364-K366 VanDerWaalsContact C-N 3.29Å; N364-K366 PolarHBondContact O-N 3.39Å; K366-T370 WeakPolarHBondContact O-CB 3.46Å; K366-T370 PolarHBondContact O-N 2.98Å; K366-T370 PolarHBondContact O-OG1 2.7Å; K366-Y430 HydrophobicContact CB-CG 4.31Å; K366-I502 HydrophobicContact CD-CB 4.19Å; K366-I502 HydrophobicContact CD-CD1 4.17Å; K366-I502 HydrophobicContact CD-CG2 4.19Å; K366-I502 HydrophobicContact CG-CB 4.28Å; K366-I502 HydrophobicContact CG-CD1 4.11Å; K366-I502 HydrophobicContact CG-CG2 3.8Å; K366-I502 PolarHBondContact NZ-O 3.44Å
367	L	96.5	Very high	95.3	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-72	-42.7	-179.6	179.5	60.3	0	0	0	112.6	S285 N364 A365 L369 T370 N371 I502	S285-L367 VanDerWaalsContact O-CD2 3.28Å; S285-L367 WeakPolarHBondContact O-CD2 3.41Å; N364-L367 HydrophobicContact CB-CB 4.38Å; N364-L367 WeakPolarHBondContact ND2-CB 3.48Å; N364-L367 PolarHBondContact O-N 3.05Å; N364-L367 PolarHBondContact OD1-N 3.36Å; A365-L367 PolarHBondContact O-N 3.1Å; L367-L369 PolarHBondContact O-N 3.36Å; L367-T370 PolarHBondContact O-N 3.04Å; L367-N371 WeakPolarHBondContact CD1-OD1 3.34Å; L367-N371 WeakPolarHBondContact O-CB 3.32Å; L367-N371 PolarHBondContact O-N 3.45Å; L367-I502 HydrophobicContact CB-CD1 3.85Å; L367-I502 HydrophobicContact CD1-CD1 3.88Å; L367-I502 HydrophobicContact CD1-CG1 4.43Å; L367-I502 HydrophobicContact CG-CD1 4.43Å
368	G	95.8	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-45.5	-178.4	0	0	0	0	0	112.4	N364 A365 N371 L372	N364-G368 PolarHBondContact O-N 2.94Å; A365-G368 PolarHBondContact O-N 3.34Å; G368-N371 PolarHBondContact O-N 3.26Å; G368-L372 WeakPolarHBondContact O-CB 3.33Å; G368-L372 VanDerWaalsContact O-CG 3.26Å; G368-L372 WeakPolarHBondContact O-CG 3.37Å; G368-L372 PolarHBondContact O-N 3.47Å
369	L	96.2	Very high	95.8	Very high	31 Å²	31	36 Å²	36	16%	0.162	16%	0.163	C	C	.	.	H	α-helix	trans	-69	-39	179.5	-169.8	56.4	0	0	0	111.4	L361 A365 L367 L372 H373 Y430 L435	L361-L369 HydrophobicContact CD2-CB 3.94Å; A365-L369 VanDerWaalsContact O-CB 3.25Å; A365-L369 WeakPolarHBondContact O-CB 3.26Å; A365-L369 PolarHBondContact O-N 3.38Å; L367-L369 PolarHBondContact O-N 3.36Å; L369-L372 PolarHBondContact O-N 3.36Å; L369-H373 WeakPolarHBondContact O-CB 3.33Å; L369-H373 PolarHBondContact O-N 3.25Å; L369-Y430 HydrophobicContact CD2-CD2 4.29Å; L369-Y430 HydrophobicContact CD2-CE2 3.98Å; L369-L435 HydrophobicContact CB-CD1 4.11Å; L369-L435 HydrophobicContact CB-CG 4.35Å; L369-L435 HydrophobicContact CD2-CD1 4.16Å; L369-L435 HydrophobicContact CD2-CD2 4.37Å; L369-L435 HydrophobicContact CD2-CG 3.75Å; L369-L435 HydrophobicContact CG-CD1 3.73Å; L369-L435 HydrophobicContact CG-CG 3.9Å
370	T	97.3	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-46.8	174.9	-59.3	0	0	0	0	111.3	K366 L367 H373 N374 I500 I502	K366-T370 WeakPolarHBondContact O-CB 3.46Å; K366-T370 PolarHBondContact O-N 2.98Å; K366-T370 PolarHBondContact O-OG1 2.7Å; L367-T370 PolarHBondContact O-N 3.04Å; T370-H373 WeakPolarHBondContact O-CB 3.36Å; T370-H373 PolarHBondContact O-N 2.7Å; T370-N374 PolarHBondContact O-N 3.48Å; T370-N374 VanDerWaalsContact O-N 3.08Å; T370-N374 PolarHBondContact O-ND2 3.39Å; T370-N374 VanDerWaalsContact O-ND2 3.16Å; T370-I500 HydrophobicContact CG2-CD1 4.36Å; T370-I500 HydrophobicContact CG2-CG1 3.92Å; T370-I500 WeakPolarHBondContact CG2-O 3.25Å; T370-I502 HydrophobicContact CG2-CG2 3.9Å; T370-I502 WeakPolarHBondContact OG1-CG2 3.49Å
371	N	98.1	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-37.4	-179.4	-73	-1.5	0	0	0	112.7	L284 L295 E357 R360 L367 G368 H373 N374 N375	L284-N371 PolarHBondContact O-ND2 3.28Å; L295-N371 HydrophobicContact CD1-CB 3.62Å; L295-N371 VanDerWaalsContact CD1-CG 3.4Å; L295-N371 WeakPolarHBondContact CD1-OD1 3.41Å; E357-N371 HydrophobicContact CB-CB 4.39Å; E357-N371 HydrophobicContact CG-CB 3.81Å; E357-N371 WeakPolarHBondContact OE2-CB 3.46Å; E357-N371 PolarHBondContact OE2-ND2 3Å; R360-N371 PolarHBondContact NH1-ND2 2.91Å; L367-N371 WeakPolarHBondContact CD1-OD1 3.34Å; L367-N371 WeakPolarHBondContact O-CB 3.32Å; L367-N371 PolarHBondContact O-N 3.45Å; G368-N371 PolarHBondContact O-N 3.26Å; N371-H373 VanDerWaalsContact C-N 3.34Å; N371-N374 PolarHBondContact O-N 3.12Å; N371-N375 PolarHBondContact O-N 3.47Å
372	L	97.9	Very high	96.6	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-43.4	173.3	-75.3	170.5	0	0	0	111.7	D354 E357 R358 L361 G368 L369 N375 Y376	D354-L372 HydrophobicContact CB-CD2 3.52Å; E357-L372 HydrophobicContact CB-CD2 3.68Å; E357-L372 HydrophobicContact CB-CG 3.7Å; R358-L372 HydrophobicContact CG-CD1 4.41Å; R358-L372 HydrophobicContact CG-CD2 4.18Å; L361-L372 HydrophobicContact CD1-CD1 3.75Å; L361-L372 HydrophobicContact CD2-CD1 4.13Å; L361-L372 HydrophobicContact CG-CD1 4.03Å; G368-L372 WeakPolarHBondContact O-CB 3.33Å; G368-L372 VanDerWaalsContact O-CG 3.26Å; G368-L372 WeakPolarHBondContact O-CG 3.37Å; G368-L372 PolarHBondContact O-N 3.47Å; L369-L372 PolarHBondContact O-N 3.36Å; L372-N375 WeakPolarHBondContact O-CB 3.46Å; L372-N375 PolarHBondContact O-N 3.16Å; L372-Y376 WeakPolarHBondContact O-CB 3.27Å; L372-Y376 PolarHBondContact O-N 3.35Å
373	H	98.1	Very high	96.9	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-58.5	-50.8	174.9	-176.9	91.1	0	0	0	111.5	H150 L369 T370 N371 N375 Y376 V377 T495 D498 I500	H150-H373 AromaticContact NE2-CE1 3.8Å; H150-H373 AromaticContact NE2-ND1 3.46Å; H150-H373 PolarHBondContact NE2-ND1 3Å; L369-H373 WeakPolarHBondContact O-CB 3.33Å; L369-H373 PolarHBondContact O-N 3.25Å; T370-H373 WeakPolarHBondContact O-CB 3.36Å; T370-H373 PolarHBondContact O-N 2.7Å; N371-H373 VanDerWaalsContact C-N 3.34Å; H373-N375 VanDerWaalsContact C-N 3.33Å; H373-N375 PolarHBondContact O-N 3.37Å; H373-Y376 CarbonylContact O-C 3.58Å; H373-Y376 WeakPolarHBondContact O-CA 3.18Å; H373-Y376 VanDerWaalsContact O-CB 3.31Å; H373-Y376 WeakPolarHBondContact O-CB 3.42Å; H373-Y376 PolarHBondContact O-N 3.38Å; H373-V377 WeakPolarHBondContact NE2-CG2 3.26Å; H373-V377 WeakPolarHBondContact O-CG2 3.43Å; H373-V377 PolarHBondContact O-N 3.37Å; H373-T495 PolarHBondContact CE1-O 3.28Å; H373-T495 PolarHBondContact NE2-O 3.46Å; H373-D498 PolarHBondContact CD2-O 3.26Å; H373-D498 PolarHBondContact NE2-O 2.78Å; H373-I500 HydrophobicContact CB-CD1 3.62Å; H373-I500 HydrophobicContact CB-CG1 4.19Å; H373-I500 VanDerWaalsContact CD2-CD1 3.49Å; H373-I500 WeakPolarHBondContact CD2-CD1 3.22Å; H373-I500 VanDerWaalsContact CG-CD1 3.47Å
374	N	98.6	Very high	97.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-38.7	-179.6	-68.1	-38.2	0	0	0	112.6	A292 L295 A296 T370 N371 Y376 V377 G378 L499 I500	A292-N374 WeakPolarHBondContact CA-ND2 3.26Å; A292-N374 HydrophobicContact CB-CB 4.46Å; A292-N374 VanDerWaalsContact CB-ND2 3.26Å; A292-N374 WeakPolarHBondContact CB-ND2 3.38Å; L295-N374 HydrophobicContact CB-CB 4.04Å; L295-N374 HydrophobicContact CD1-CB 4.42Å; A296-N374 VanDerWaalsContact CA-O 3.26Å; A296-N374 WeakPolarHBondContact CA-O 3.32Å; A296-N374 WeakPolarHBondContact CB-O 2.94Å; T370-N374 PolarHBondContact O-N 3.48Å; T370-N374 VanDerWaalsContact O-N 3.08Å; T370-N374 PolarHBondContact O-ND2 3.39Å; T370-N374 VanDerWaalsContact O-ND2 3.16Å; N371-N374 PolarHBondContact O-N 3.12Å; N374-Y376 VanDerWaalsContact C-N 3.3Å; N374-Y376 PolarHBondContact O-N 3Å; N374-V377 PolarHBondContact O-N 3.41Å; N374-G378 PolarHBondContact O-N 3.16Å; N374-G378 VanDerWaalsContact O-N 3.15Å; N374-L499 HydrophobicContact CB-CD2 4.47Å; N374-I500 PolarHBondContact ND2-O 2.98Å; N374-I500 PolarHBondContact OD1-N 2.75Å; N374-I500 PolarHBondContact OD1-O 3.47Å
375	N	98.6	Very high	97.2	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-58.8	-42.7	170.5	-83.4	-2.9	0	0	0	111.8	L295 S299 D354 N371 L372 H373 G378 R379	L295-N375 WeakPolarHBondContact CB-OD1 3.25Å; L295-N375 WeakPolarHBondContact CD2-OD1 3.15Å; L295-N375 PolarHBondContact O-OD1 3.41Å; S299-N375 WeakPolarHBondContact CB-O 3.39Å; S299-N375 PolarHBondContact OG-O 3.26Å; D354-N375 PolarHBondContact OD1-ND2 3.04Å; N371-N375 PolarHBondContact O-N 3.47Å; L372-N375 WeakPolarHBondContact O-CB 3.46Å; L372-N375 PolarHBondContact O-N 3.16Å; H373-N375 VanDerWaalsContact C-N 3.33Å; H373-N375 PolarHBondContact O-N 3.37Å; N375-G378 PolarHBondContact O-N 3.17Å; N375-R379 WeakPolarHBondContact O-CG 3.34Å; N375-R379 PolarHBondContact O-N 3.07Å
376	Y	98.3	Very high	97.2	Very high	28 Å²	28	18.8 Å²	18.8	11%	0.11	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-48.9	178	167.5	-100.4	0	0	0	111.9	Y148 L372 H373 N374 G378 R379 H380 E496	Y148-Y376 HydrophobicContact CD1-CD1 4.01Å; Y148-Y376 HydrophobicContact CD1-CD2 4.24Å; Y148-Y376 HydrophobicContact CD1-CE1 4.13Å; Y148-Y376 HydrophobicContact CD1-CE2 4.35Å; Y148-Y376 HydrophobicContact CD1-CG 4.07Å; Y148-Y376 HydrophobicContact CD2-CD2 4.15Å; Y148-Y376 HydrophobicContact CD2-CE2 4.36Å; Y148-Y376 HydrophobicContact CE1-CD1 4.4Å; Y148-Y376 HydrophobicContact CE1-CG 4.28Å; Y148-Y376 HydrophobicContact CG-CD1 4.47Å; Y148-Y376 AromaticContact CG-CD2 3.93Å; Y148-Y376 HydrophobicContact CG-CD2 3.93Å; Y148-Y376 HydrophobicContact CG-CE1 4.4Å; Y148-Y376 AromaticContact CG-CE2 3.86Å; Y148-Y376 HydrophobicContact CG-CE2 3.86Å; Y148-Y376 HydrophobicContact CG-CG 4.24Å; L372-Y376 WeakPolarHBondContact O-CB 3.27Å; L372-Y376 PolarHBondContact O-N 3.35Å; H373-Y376 CarbonylContact O-C 3.58Å; H373-Y376 WeakPolarHBondContact O-CA 3.18Å; H373-Y376 VanDerWaalsContact O-CB 3.31Å; H373-Y376 WeakPolarHBondContact O-CB 3.42Å; H373-Y376 PolarHBondContact O-N 3.38Å; N374-Y376 VanDerWaalsContact C-N 3.3Å; N374-Y376 PolarHBondContact O-N 3Å; Y376-G378 PolarHBondContact O-N 3.37Å; Y376-R379 PolarHBondContact O-N 3.37Å; Y376-H380 HydrophobicContact CE1-CB 4.35Å; Y376-H380 HydrophobicContact CE2-CB 4.39Å; Y376-H380 WeakPolarHBondContact O-CB 3.36Å; Y376-H380 PolarHBondContact O-N 2.89Å; Y376-E496 HydrophobicContact CE1-CB 3.78Å
377	V	98.5	Very high	97	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-51.4	-45.4	175.7	172.3	0	0	0	0	110.6	H373 N374 R379 H380 M381 L418 D498 L499	H373-V377 WeakPolarHBondContact NE2-CG2 3.26Å; H373-V377 WeakPolarHBondContact O-CG2 3.43Å; H373-V377 PolarHBondContact O-N 3.37Å; N374-V377 PolarHBondContact O-N 3.41Å; V377-R379 PolarHBondContact O-N 2.96Å; V377-H380 PolarHBondContact O-N 3.17Å; V377-M381 VanDerWaalsContact O-CB 3.22Å; V377-M381 WeakPolarHBondContact O-CB 3.41Å; V377-M381 PolarHBondContact O-N 3.49Å; V377-L418 HydrophobicContact CG1-CD2 4.35Å; V377-D498 WeakPolarHBondContact CG2-O 3.48Å; V377-L499 HydrophobicContact CB-CD2 4.16Å; V377-L499 HydrophobicContact CG1-CD2 3.77Å; V377-L499 HydrophobicContact CG1-CG 4.43Å
378	G	98.7	Very high	96.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56	-49.9	175.8	0	0	0	0	0	113.7	A296 A300 N374 N375 Y376 V382	A296-G378 VanDerWaalsContact O-CA 3.27Å; A296-G378 WeakPolarHBondContact O-CA 3.31Å; A300-G378 WeakPolarHBondContact CB-O 3.47Å; N374-G378 PolarHBondContact O-N 3.16Å; N374-G378 VanDerWaalsContact O-N 3.15Å; N375-G378 PolarHBondContact O-N 3.17Å; Y376-G378 PolarHBondContact O-N 3.37Å; G378-V382 WeakPolarHBondContact O-CG2 3.25Å; G378-V382 PolarHBondContact O-N 3.45Å
379	R	98.5	Very high	96.6	Very high	8 Å²	8	26.1 Å²	26.1	3%	0.03	13%	0.129	C	C	.	.	H	α-helix	trans	-66.5	-46.1	179.3	-61.5	-175.3	-76.3	-100.1	5.5	111.9	S299 S303 A346 D354 N375 Y376 V377 M381 V382 I383	S299-R379 WeakPolarHBondContact OG-CG 3.49Å; S299-R379 PolarHBondContact OG-NH1 3.26Å; S303-R379 WeakPolarHBondContact OG-CG 3.33Å; A346-R379 HydrophobicContact CB-CB 4.19Å; A346-R379 WeakPolarHBondContact O-CD 3.48Å; D354-R379 IonicContact OD1-CZ 3.59Å; D354-R379 IonicContact OD1-NH1 3.2Å; D354-R379 PolarHBondContact OD1-NH1 3.13Å; D354-R379 IonicContact OD1-NH2 3.87Å; D354-R379 IonicContact OD2-CZ 3.97Å; D354-R379 IonicContact OD2-NH1 3Å; D354-R379 IonicContact OD2-NH2 3.26Å; D354-R379 PolarHBondContact OD2-NH2 3.42Å; N375-R379 WeakPolarHBondContact O-CG 3.34Å; N375-R379 PolarHBondContact O-N 3.07Å; Y376-R379 PolarHBondContact O-N 3.37Å; V377-R379 PolarHBondContact O-N 2.96Å; R379-M381 PolarHBondContact O-N 3.01Å; R379-V382 PolarHBondContact O-N 2.98Å; R379-V382 VanDerWaalsContact O-N 3.09Å; R379-I383 WeakPolarHBondContact O-CG1 3.35Å; R379-I383 PolarHBondContact O-N 3.03Å; R379-I383 VanDerWaalsContact O-N 3.09Å
380	H	97.7	Very high	96.4	Very high	28 Å²	28	26.8 Å²	26.8	13%	0.13	14%	0.136	C	C	.	.	H	α-helix	trans	-60.6	-38.3	-177.8	-171.4	67.4	0	0	0	111.4	Y376 V377 V382 I383 N384 E496	Y376-H380 HydrophobicContact CE1-CB 4.35Å; Y376-H380 HydrophobicContact CE2-CB 4.39Å; Y376-H380 WeakPolarHBondContact O-CB 3.36Å; Y376-H380 PolarHBondContact O-N 2.89Å; V377-H380 PolarHBondContact O-N 3.17Å; H380-V382 VanDerWaalsContact C-N 3.32Å; H380-V382 PolarHBondContact O-N 3.37Å; H380-I383 WeakPolarHBondContact O-CB 3.39Å; H380-I383 PolarHBondContact O-N 3.24Å; H380-I383 VanDerWaalsContact O-N 3.14Å; H380-N384 PolarHBondContact CD2-ND2 3.18Å; H380-N384 VanDerWaalsContact CD2-ND2 3.31Å; H380-N384 PolarHBondContact CE1-ND2 3.32Å; H380-N384 PolarHBondContact CE1-OD1 2.82Å; H380-N384 VanDerWaalsContact CE1-OD1 3.26Å; H380-N384 PolarHBondContact NE2-ND2 3.35Å; H380-N384 PolarHBondContact NE2-OD1 3.36Å; H380-N384 PolarHBondContact O-N 3.4Å; H380-E496 VanDerWaalsContact CD2-CB 3.47Å; H380-E496 WeakPolarHBondContact CD2-CB 3.24Å; H380-E496 WeakPolarHBondContact NE2-CG 3.15Å
381	M	97.5	Very high	96.1	Very high	3 Å²	3	33 Å²	33	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-34.5	176.9	-163.3	-83.3	-54.7	0	0	112.3	V377 R379 K385 L414 L418	V377-M381 VanDerWaalsContact O-CB 3.22Å; V377-M381 WeakPolarHBondContact O-CB 3.41Å; V377-M381 PolarHBondContact O-N 3.49Å; R379-M381 PolarHBondContact O-N 3.01Å; M381-K385 VanDerWaalsContact O-CB 3.25Å; M381-K385 WeakPolarHBondContact O-CB 3.07Å; M381-K385 WeakPolarHBondContact O-CG 3.46Å; M381-K385 PolarHBondContact O-N 3.22Å; M381-K385 HydrophobicContact SD-CG 4.13Å; M381-L414 HydrophobicContact CE-CB 3.4Å; M381-L414 VanDerWaalsContact CE-CB 3.4Å; M381-L414 HydrophobicContact CE-CD1 4.33Å; M381-L414 HydrophobicContact CE-CD2 3.51Å; M381-L414 HydrophobicContact CE-CG 3.9Å; M381-L414 HydrophobicContact SD-CB 4.08Å; M381-L414 HydrophobicContact SD-CD2 3.15Å; M381-L414 WeakPolarHBondContact SD-CD2 3.41Å; M381-L414 HydrophobicContact SD-CG 4.15Å; M381-L418 HydrophobicContact CE-CD1 3.72Å; M381-L418 HydrophobicContact CE-CD2 4.21Å; M381-L418 HydrophobicContact CE-CG 3.62Å
382	V	98	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.2	-43.6	170.6	-167.4	0	0	0	0	111.4	A300 I342 G378 R379 H380 N384 K385 M386 L408 P409 L414	A300-V382 HydrophobicContact CB-CG2 3.67Å; I342-V382 HydrophobicContact CD1-CB 3.93Å; I342-V382 HydrophobicContact CD1-CG1 3.38Å; I342-V382 HydrophobicContact CG1-CB 4.4Å; I342-V382 HydrophobicContact CG1-CG1 4.01Å; G378-V382 WeakPolarHBondContact O-CG2 3.25Å; G378-V382 PolarHBondContact O-N 3.45Å; R379-V382 PolarHBondContact O-N 2.98Å; R379-V382 VanDerWaalsContact O-N 3.09Å; H380-V382 VanDerWaalsContact C-N 3.32Å; H380-V382 PolarHBondContact O-N 3.37Å; V382-N384 PolarHBondContact O-N 3.22Å; V382-K385 PolarHBondContact O-N 3.2Å; V382-M386 WeakPolarHBondContact O-CG 3.3Å; V382-M386 PolarHBondContact O-N 3.39Å; V382-L408 HydrophobicContact CG1-CD2 3.76Å; V382-P409 HydrophobicContact CG1-CG 4.36Å; V382-L414 HydrophobicContact CG1-CD1 4.32Å; V382-L414 HydrophobicContact CG2-CD1 3.89Å
383	I	96	Very high	95.6	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.077	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-46.5	-179.9	-67.7	165.6	0	0	0	111.3	T145 I342 Y343 A346 R379 H380 K385 M386 R406	T145-I383 HydrophobicContact CG2-CD1 4.4Å; I342-I383 HydrophobicContact CG1-CB 4.46Å; I342-I383 HydrophobicContact CG1-CG1 3.69Å; I342-I383 HydrophobicContact CG2-CG1 4.29Å; Y343-I383 HydrophobicContact CE1-CG2 3.9Å; A346-I383 HydrophobicContact CB-CD1 3.87Å; A346-I383 HydrophobicContact CB-CG1 4.28Å; R379-I383 WeakPolarHBondContact O-CG1 3.35Å; R379-I383 PolarHBondContact O-N 3.03Å; R379-I383 VanDerWaalsContact O-N 3.09Å; H380-I383 WeakPolarHBondContact O-CB 3.39Å; H380-I383 PolarHBondContact O-N 3.24Å; H380-I383 VanDerWaalsContact O-N 3.14Å; I383-K385 VanDerWaalsContact C-N 3.31Å; I383-K385 PolarHBondContact O-N 2.94Å; I383-M386 VanDerWaalsContact O-CG 3.24Å; I383-M386 WeakPolarHBondContact O-CG 3.09Å; I383-R406 PolarHBondContact O-NH2 2.95Å
384	N	94.7	Very high	95.2	Very high	89 Å²	89	42.4 Å²	42.4	48%	0.476	23%	0.226	S	C	.	.	H	α-helix	trans	-76.1	-20.4	-176.1	-71.6	8	0	0	0	113.5	H380 V382	H380-N384 PolarHBondContact CD2-ND2 3.18Å; H380-N384 VanDerWaalsContact CD2-ND2 3.31Å; H380-N384 PolarHBondContact CE1-ND2 3.32Å; H380-N384 PolarHBondContact CE1-OD1 2.82Å; H380-N384 VanDerWaalsContact CE1-OD1 3.26Å; H380-N384 PolarHBondContact NE2-ND2 3.35Å; H380-N384 PolarHBondContact NE2-OD1 3.36Å; H380-N384 PolarHBondContact O-N 3.4Å; V382-N384 PolarHBondContact O-N 3.22Å
385	K	95.7	Very high	94.8	Very high	84 Å²	84	48.1 Å²	48.1	37%	0.365	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	15.7	-179.3	-63.5	-74.4	167.9	164.4	0	112.3	M381 V382 I383 P409 L414	M381-K385 VanDerWaalsContact O-CB 3.25Å; M381-K385 WeakPolarHBondContact O-CB 3.07Å; M381-K385 WeakPolarHBondContact O-CG 3.46Å; M381-K385 PolarHBondContact O-N 3.22Å; M381-K385 HydrophobicContact SD-CG 4.13Å; V382-K385 PolarHBondContact O-N 3.2Å; I383-K385 VanDerWaalsContact C-N 3.31Å; I383-K385 PolarHBondContact O-N 2.94Å; K385-P409 HydrophobicContact CB-CB 4.17Å; K385-P409 HydrophobicContact CB-CG 3.97Å; K385-P409 VanDerWaalsContact O-CB 3.24Å; K385-P409 WeakPolarHBondContact O-CB 3.31Å; K385-P409 WeakPolarHBondContact O-CD 3.4Å; K385-P409 WeakPolarHBondContact O-CG 3.45Å; K385-L414 HydrophobicContact CB-CD2 3.9Å; K385-L414 HydrophobicContact CG-CD2 4.23Å
386	M	94.3	Very high	94.2	Very high	22 Å²	22	54 Å²	54	11%	0.108	30%	0.302	C	S	.	.			trans	-62.3	140.1	169.3	-64.8	-62.7	-67.8	0	0	110.3	D340 I342 V382 I383 R406 S407 L408	D340-M386 HydrophobicContact CB-CE 3.74Å; I342-M386 HydrophobicContact CB-CE 4.05Å; I342-M386 HydrophobicContact CB-CG 4.22Å; I342-M386 HydrophobicContact CB-SD 3.71Å; I342-M386 HydrophobicContact CG1-SD 4.06Å; I342-M386 HydrophobicContact CG2-CE 4.15Å; I342-M386 HydrophobicContact CG2-CG 3.73Å; I342-M386 HydrophobicContact CG2-SD 3.9Å; V382-M386 WeakPolarHBondContact O-CG 3.3Å; V382-M386 PolarHBondContact O-N 3.39Å; I383-M386 VanDerWaalsContact O-CG 3.24Å; I383-M386 WeakPolarHBondContact O-CG 3.09Å; M386-R406 HydrophobicContact CB-CG 4.18Å; M386-R406 HydrophobicContact CE-CG 3.92Å; M386-R406 VanDerWaalsContact CG-NH2 3.29Å; M386-S407 VanDerWaalsContact CE-C 3.45Å; M386-S407 WeakPolarHBondContact CE-O 3.48Å; M386-L408 HydrophobicContact CE-CD2 4.26Å; M386-L408 HydrophobicContact CE-CG 4.3Å; M386-L408 HydrophobicContact SD-CD2 3.76Å; M386-L408 HydrophobicContact SD-CG 4.32Å
387	E	92	Very high	93.5	Very high	74 Å²	74	56.4 Å²	56.4	35%	0.346	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150	-175	-67	171.5	-171.3	0	0	110.3	Q389 R406 S407	E387-Q389 PolarHBondContact OE2-NE2 3.47Å; E387-R406 CarbonylContact O-C 3.54Å; E387-R406 WeakPolarHBondContact O-CA 3.21Å; E387-S407 PolarHBondContact N-O 3.48Å; E387-S407 PolarHBondContact O-N 3.44Å
388	V	91.7	Very high	93	Very high	77 Å²	77	59 Å²	59	47%	0.467	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.5	166.4	-178.4	0	0	0	0	107.7	F333 W335 C404	F333-V388 HydrophobicContact CE2-CG1 4.36Å; W335-V388 HydrophobicContact CH2-CG1 4.07Å; W335-V388 HydrophobicContact CH2-CG2 3.89Å; W335-V388 HydrophobicContact CZ3-CG1 4.13Å; V388-C404 HydrophobicContact CG1-CB 3.81Å
389	Q	92.3	Very high	92.5	Very high	78 Å²	78	61.8 Å²	61.8	36%	0.364	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.2	176.1	-67.6	-67.9	-24.7	0	0	108.7	E387 C404 W405	E387-Q389 PolarHBondContact OE2-NE2 3.47Å; Q389-C404 CarbonylContact O-C 3.48Å; Q389-C404 WeakPolarHBondContact O-CA 3.5Å; Q389-C404 WeakPolarHBondContact O-CB 3.47Å; Q389-W405 HydrophobicContact CB-CD2 4.31Å; Q389-W405 HydrophobicContact CB-CH2 4.46Å; Q389-W405 HydrophobicContact CB-CZ2 3.77Å; Q389-W405 PolarHBondContact N-O 3.16Å; Q389-W405 PolarHBondContact O-N 2.84Å
390	C	91.7	Very high	92.1	Very high	44 Å²	44	67.4 Å²	67.4	30%	0.297	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.3	-172.9	-66	0	0	0	0	111.6	T403 C404	C390-T403 WeakPolarHBondContact CA-O 3.5Å; C390-C404 HydrophobicContact CB-CB 4.07Å; C390-C404 WeakPolarHBondContact CB-SG 3.34Å; C390-C404 WeakPolarHBondContact SG-CB 3.35Å; C390-C404 CovalentContact SG-SG 2.03Å; C390-C404 PolarHBondContact SG-SG 3.03Å
391	K	91.8	Very high	91.8	Very high	130 Å²	130	70.3 Å²	70.3	57%	0.565	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	130	165.8	-71	175	-178	-174.6	0	109.2	R402 T403 W405	K391-R402 CarbonylContact O-C 3.52Å; K391-R402 WeakPolarHBondContact O-CA 3.46Å; K391-R402 WeakPolarHBondContact O-CB 3.41Å; K391-T403 PolarHBondContact N-O 3.41Å; K391-T403 PolarHBondContact O-N 3.3Å; K391-W405 HydrophobicContact CB-CZ3 4.43Å; K391-W405 HydrophobicContact CD-CH2 3.9Å; K391-W405 HydrophobicContact CD-CZ3 3.93Å; K391-W405 HydrophobicContact CG-CH2 3.7Å; K391-W405 HydrophobicContact CG-CZ3 3.77Å
392	C	93.1	Very high	91.5	Very high	78 Å²	78	74.4 Å²	74.4	53%	0.527	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	142.4	175.7	-72.5	0	0	0	0	111.2	C399	C392-C399 HydrophobicContact CB-CB 3.54Å; C392-C399 WeakPolarHBondContact CB-SG 3.48Å; C392-C399 WeakPolarHBondContact SG-CB 3.37Å; C392-C399 CovalentContact SG-SG 2.03Å; C392-C399 PolarHBondContact SG-SG 3.36Å
393	H	91.4	Very high	91.2	Very high	82 Å²	82	75.5 Å²	75.5	38%	0.38	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.2	171.9	-51.2	-80.7	0	0	0	108.4	E400 M401 T403	H393-E400 PolarHBondContact O-N 3.47Å; H393-M401 HydrophobicContact CB-CG 3.76Å; H393-M401 PolarHBondContact N-O 3.41Å; H393-M401 PolarHBondContact O-N 3.15Å; H393-M401 VanDerWaalsContact O-N 3.14Å; H393-M401 VanDerWaalsContact O-O 3.11Å; H393-T403 VanDerWaalsContact NE2-CG2 3.29Å; H393-T403 WeakPolarHBondContact NE2-CG2 3.38Å; H393-T403 PolarHBondContact NE2-OG1 3Å
394	G	89.6	Confident	91	Very high	46 Å²	46	74.8 Å²	74.8	47%	0.474	43%	0.433	S	S	.	.			trans	170.8	169.8	-178.5	0	0	0	0	0	112.4	S398	G394-S398 VanDerWaalsContact CA-O 3.31Å; G394-S398 WeakPolarHBondContact CA-O 3.47Å; G394-S398 WeakPolarHBondContact CA-OG 3.32Å; G394-S398 PolarHBondContact N-O 2.84Å
395	V	91.8	Very high	90.9	Very high	120 Å²	120	73.6 Å²	73.6	73%	0.727	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-79.5	134.9	179.2	-178.8	0	0	0	0	109.5	G397 S398	V395-G397 VanDerWaalsContact C-N 3.28Å; V395-G397 PolarHBondContact O-N 3.47Å; V395-S398 PolarHBondContact N-OG 3.41Å; V395-S398 VanDerWaalsContact N-OG 3.15Å; V395-S398 WeakPolarHBondContact O-CB 3.48Å; V395-S398 PolarHBondContact O-N 3.23Å; V395-S398 PolarHBondContact O-OG 3.48Å; V395-S398 VanDerWaalsContact O-OG 3.12Å
396	S	84.3	Confident	90.8	Very high	127 Å²	127	72.3 Å²	72.3	89%	0.888	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	54.7	35.3	173.4	-56.7	0	0	0	0	115.4
397	G	83.7	Confident	90.9	Very high	79 Å²	79	72.3 Å²	72.3	81%	0.814	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	84	7.5	180	0	0	0	0	0	114.7	V395	V395-G397 VanDerWaalsContact C-N 3.28Å; V395-G397 PolarHBondContact O-N 3.47Å
398	S	88	Confident	91.1	Very high	54 Å²	54	69.4 Å²	69.4	38%	0.378	40%	0.403	S	S	.	.			trans	-65.7	152.3	166.3	76.1	0	0	0	0	111.1	G394 V395	G394-S398 VanDerWaalsContact CA-O 3.31Å; G394-S398 WeakPolarHBondContact CA-O 3.47Å; G394-S398 WeakPolarHBondContact CA-OG 3.32Å; G394-S398 PolarHBondContact N-O 2.84Å; V395-S398 PolarHBondContact N-OG 3.41Å; V395-S398 VanDerWaalsContact N-OG 3.15Å; V395-S398 WeakPolarHBondContact O-CB 3.48Å; V395-S398 PolarHBondContact O-N 3.23Å; V395-S398 PolarHBondContact O-OG 3.48Å; V395-S398 VanDerWaalsContact O-OG 3.12Å
399	C	89.8	Confident	91.4	Very high	60 Å²	60	65.9 Å²	65.9	41%	0.405	38%	0.382	S	S	.	.			trans	-114.3	61.5	175.1	-167.1	0	0	0	0	109.2	C392 M401	C392-C399 HydrophobicContact CB-CB 3.54Å; C392-C399 WeakPolarHBondContact CB-SG 3.48Å; C392-C399 WeakPolarHBondContact SG-CB 3.37Å; C392-C399 CovalentContact SG-SG 2.03Å; C392-C399 PolarHBondContact SG-SG 3.36Å; C399-M401 VanDerWaalsContact C-N 3.26Å; C399-M401 PolarHBondContact O-N 2.99Å
400	E	89.3	Confident	91.7	Very high	125 Å²	125	69.5 Å²	69.5	58%	0.584	40%	0.396	S	S	*	.	S	Bend	trans	-69.1	-30.2	-179.1	-170.9	56.7	-147.5	0	0	111.2	N332 H393	N332-E400 WeakPolarHBondContact CB-O 3.46Å; N332-E400 PolarHBondContact ND2-O 3.45Å; H393-E400 PolarHBondContact O-N 3.47Å
401	M	91.6	Very high	92	Very high	89 Å²	89	68.4 Å²	68.4	44%	0.438	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.9	166.8	66.8	-176.1	-72.3	0	0	110.3	N332 H393 C399	N332-M401 CarbonylContact O-C 3.51Å; N332-M401 WeakPolarHBondContact O-CA 3.43Å; H393-M401 HydrophobicContact CB-CG 3.76Å; H393-M401 PolarHBondContact N-O 3.41Å; H393-M401 PolarHBondContact O-N 3.15Å; H393-M401 VanDerWaalsContact O-N 3.14Å; H393-M401 VanDerWaalsContact O-O 3.11Å; C399-M401 VanDerWaalsContact C-N 3.26Å; C399-M401 PolarHBondContact O-N 2.99Å
402	R	91.1	Very high	92.3	Very high	90 Å²	90	67.4 Å²	67.4	34%	0.34	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143.3	176.4	60.3	-179	-177.6	154	7.8	111.9	E330 N332 F333 E334 K391	E330-R402 IonicContact OE2-NH2 2.95Å; E330-R402 PolarHBondContact OE2-NH2 2.99Å; N332-R402 WeakPolarHBondContact O-CG 3.37Å; N332-R402 PolarHBondContact O-N 3.46Å; F333-R402 WeakPolarHBondContact CA-O 3.24Å; F333-R402 HydrophobicContact CB-CG 4.49Å; F333-R402 HydrophobicContact CD2-CG 4.34Å; E334-R402 PolarHBondContact N-O 2.98Å; K391-R402 CarbonylContact O-C 3.52Å; K391-R402 WeakPolarHBondContact O-CA 3.46Å; K391-R402 WeakPolarHBondContact O-CB 3.41Å
403	T	91.5	Very high	92.5	Very high	23 Å²	23	67.3 Å²	67.3	14%	0.141	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.3	174.4	58.1	0	0	0	0	109.2	E334 S336 C390 K391 H393	E334-T403 CarbonylContact O-C 3.53Å; E334-T403 VanDerWaalsContact O-CA 3.29Å; E334-T403 WeakPolarHBondContact O-CA 3.06Å; S336-T403 VanDerWaalsContact OG-CB 3.31Å; S336-T403 WeakPolarHBondContact OG-CB 3.34Å; C390-T403 WeakPolarHBondContact CA-O 3.5Å; K391-T403 PolarHBondContact N-O 3.41Å; K391-T403 PolarHBondContact O-N 3.3Å; H393-T403 VanDerWaalsContact NE2-CG2 3.29Å; H393-T403 WeakPolarHBondContact NE2-CG2 3.38Å; H393-T403 PolarHBondContact NE2-OG1 3Å
404	C	91.7	Very high	92.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	157.6	-170	-54.5	0	0	0	0	113	F333 E334 S336 V388 Q389 C390	F333-C404 HydrophobicContact CD2-CB 4.21Å; F333-C404 WeakPolarHBondContact CD2-SG 3.4Å; F333-C404 HydrophobicContact CE2-CB 3.46Å; F333-C404 VanDerWaalsContact CE2-CB 3.46Å; F333-C404 WeakPolarHBondContact CE2-SG 3.49Å; F333-C404 HydrophobicContact CZ-CB 3.84Å; E334-C404 PolarHBondContact O-N 3.17Å; S336-C404 PolarHBondContact N-O 2.96Å; S336-C404 PolarHBondContact OG-O 3.16Å; V388-C404 HydrophobicContact CG1-CB 3.81Å; Q389-C404 CarbonylContact O-C 3.48Å; Q389-C404 WeakPolarHBondContact O-CA 3.5Å; Q389-C404 WeakPolarHBondContact O-CB 3.47Å; C390-C404 HydrophobicContact CB-CB 4.07Å; C390-C404 WeakPolarHBondContact CB-SG 3.34Å; C390-C404 WeakPolarHBondContact SG-CB 3.35Å; C390-C404 CovalentContact SG-SG 2.03Å; C390-C404 PolarHBondContact SG-SG 3.03Å
405	W	93.6	Very high	93.3	Very high	64 Å²	64	61.2 Å²	61.2	24%	0.242	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.7	174.4	62.2	94.2	0	0	0	110.4	S336 Q389 K391	S336-W405 WeakPolarHBondContact O-CB 3.27Å; Q389-W405 HydrophobicContact CB-CD2 4.31Å; Q389-W405 HydrophobicContact CB-CH2 4.46Å; Q389-W405 HydrophobicContact CB-CZ2 3.77Å; Q389-W405 PolarHBondContact N-O 3.16Å; Q389-W405 PolarHBondContact O-N 2.84Å; K391-W405 HydrophobicContact CB-CZ3 4.43Å; K391-W405 HydrophobicContact CD-CH2 3.9Å; K391-W405 HydrophobicContact CD-CZ3 3.93Å; K391-W405 HydrophobicContact CG-CH2 3.7Å; K391-W405 HydrophobicContact CG-CZ3 3.77Å
406	R	93.3	Very high	93.6	Very high	56 Å²	56	57 Å²	57	21%	0.211	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.8	174.1	-171.6	-177.6	165.7	103.5	-10	109	I324 S339 D340 I383 M386 E387	I324-R406 HydrophobicContact CD1-CB 3.78Å; I324-R406 VanDerWaalsContact CD1-CD 3.43Å; I324-R406 HydrophobicContact CD1-CG 4.27Å; S339-R406 CarbonylContact C-O 3.58Å; S339-R406 WeakPolarHBondContact CA-O 3.35Å; S339-R406 PolarHBondContact OG-N 2.94Å; D340-R406 PolarHBondContact N-O 2.9Å; I383-R406 PolarHBondContact O-NH2 2.95Å; M386-R406 HydrophobicContact CB-CG 4.18Å; M386-R406 HydrophobicContact CE-CG 3.92Å; M386-R406 VanDerWaalsContact CG-NH2 3.29Å; E387-R406 CarbonylContact O-C 3.54Å; E387-R406 WeakPolarHBondContact O-CA 3.21Å
407	S	95.3	Very high	94.2	Very high	22 Å²	22	53 Å²	53	15%	0.154	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.3	-174.7	-175.7	0	0	0	0	111.2	D340 M386 E387	D340-S407 WeakPolarHBondContact OD2-CA 3.39Å; M386-S407 VanDerWaalsContact CE-C 3.45Å; M386-S407 WeakPolarHBondContact CE-O 3.48Å; E387-S407 PolarHBondContact N-O 3.48Å; E387-S407 PolarHBondContact O-N 3.44Å
408	L	97.8	Very high	94.9	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.068	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-57.4	142.1	167.9	-75.1	164.1	0	0	0	110.6	H304 T307 K308 D340 I342 V382 M386	H304-L408 VanDerWaalsContact O-CD1 3.3Å; H304-L408 WeakPolarHBondContact O-CD1 3.48Å; T307-L408 HydrophobicContact CG2-CD1 3.78Å; T307-L408 HydrophobicContact CG2-CD2 3.98Å; T307-L408 HydrophobicContact CG2-CG 3.97Å; K308-L408 HydrophobicContact CB-CD1 3.77Å; K308-L408 HydrophobicContact CD-CD1 4.38Å; D340-L408 HydrophobicContact CB-CG 3.98Å; D340-L408 WeakPolarHBondContact OD2-CG 3.49Å; D340-L408 PolarHBondContact OD2-N 2.87Å; I342-L408 HydrophobicContact CD1-CD2 3.83Å; V382-L408 HydrophobicContact CG1-CD2 3.76Å; M386-L408 HydrophobicContact CE-CD2 4.26Å; M386-L408 HydrophobicContact CE-CG 4.3Å; M386-L408 HydrophobicContact SD-CD2 3.76Å; M386-L408 HydrophobicContact SD-CG 4.32Å
409	P	97.7	Very high	95.4	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.026	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-65.4	160	173	23.7	-31.4	0	0	0	112.2	H304 V382 K385 F411 L414	H304-P409 PolarHBondContact NE2-O 3.49Å; V382-P409 HydrophobicContact CG1-CG 4.36Å; K385-P409 HydrophobicContact CB-CB 4.17Å; K385-P409 HydrophobicContact CB-CG 3.97Å; K385-P409 VanDerWaalsContact O-CB 3.24Å; K385-P409 WeakPolarHBondContact O-CB 3.31Å; K385-P409 WeakPolarHBondContact O-CD 3.4Å; K385-P409 WeakPolarHBondContact O-CG 3.45Å; P409-F411 PolarHBondContact O-N 3.25Å; P409-L414 HydrophobicContact CB-CD2 3.97Å; P409-L414 HydrophobicContact CB-CG 4.24Å; P409-L414 HydrophobicContact CG-CD1 3.81Å; P409-L414 HydrophobicContact CG-CD2 3.56Å; P409-L414 HydrophobicContact CG-CG 3.92Å
410	K	97.6	Very high	95.7	Very high	153 Å²	153	51.4 Å²	51.4	67%	0.665	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-62.9	125	169.1	-65	-178.6	-177.3	178.6	0	109.9	R412 N413 L414	K410-R412 VanDerWaalsContact C-N 3.27Å; K410-R412 PolarHBondContact O-N 3.43Å; K410-N413 WeakPolarHBondContact O-CB 3.28Å; K410-N413 PolarHBondContact O-N 3.13Å; K410-L414 PolarHBondContact O-N 3.46Å
411	F	98.4	Very high	96.1	Very high	21 Å²	21	47.4 Å²	47.4	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-29.9	-174.4	-159.5	-100.5	0	0	0	113.7	M220 E224 V297 A300 G301 H304 P409 N413 L414 G415	M220-F411 HydrophobicContact CE-CD1 4.32Å; M220-F411 HydrophobicContact CE-CD2 3.6Å; M220-F411 HydrophobicContact CE-CE1 4.35Å; M220-F411 HydrophobicContact CE-CE2 3.68Å; M220-F411 HydrophobicContact CE-CG 3.95Å; M220-F411 HydrophobicContact CE-CZ 4.06Å; M220-F411 HydrophobicContact CG-CD1 3.76Å; M220-F411 HydrophobicContact CG-CE1 3.91Å; M220-F411 HydrophobicContact CG-CG 4.18Å; M220-F411 HydrophobicContact CG-CZ 4.46Å; M220-F411 HydrophobicContact SD-CB 4.39Å; M220-F411 HydrophobicContact SD-CD1 4.25Å; M220-F411 HydrophobicContact SD-CD2 4.29Å; M220-F411 HydrophobicContact SD-CG 4.04Å; E224-F411 HydrophobicContact CB-CD1 3.93Å; E224-F411 HydrophobicContact CB-CE1 3.68Å; E224-F411 HydrophobicContact CG-CD1 4.04Å; E224-F411 HydrophobicContact CG-CE1 4.03Å; V297-F411 HydrophobicContact CG2-CE1 4.23Å; V297-F411 HydrophobicContact CG2-CZ 4.18Å; A300-F411 HydrophobicContact CB-CE2 4.22Å; A300-F411 HydrophobicContact CB-CZ 4.49Å; G301-F411 VanDerWaalsContact CA-CE2 3.46Å; G301-F411 VanDerWaalsContact CA-CZ 3.47Å; H304-F411 HydrophobicContact CB-CD2 4.1Å; H304-F411 HydrophobicContact CB-CE2 4.2Å; H304-F411 AromaticContact CD2-CD2 3.86Å; H304-F411 AromaticContact CG-CD2 3.89Å; P409-F411 PolarHBondContact O-N 3.25Å; F411-N413 VanDerWaalsContact C-N 3.3Å; F411-N413 PolarHBondContact O-N 2.88Å; F411-L414 HydrophobicContact CD2-CD1 3.76Å; F411-L414 HydrophobicContact CE2-CD1 4.14Å; F411-L414 WeakPolarHBondContact O-CB 3.4Å; F411-L414 PolarHBondContact O-N 3.14Å; F411-G415 PolarHBondContact O-N 2.72Å
412	R	98.1	Very high	96.4	Very high	109 Å²	109	44.1 Å²	44.1	41%	0.411	20%	0.2	S	C	.	.	H	α-helix	trans	-57.9	-41.1	172.1	177.5	55.9	58.8	80.5	-2	112.6	E224 Y227 K410 L414 G415 A416	E224-R412 VanDerWaalsContact OE1-CD 3.22Å; E224-R412 WeakPolarHBondContact OE1-CD 3.49Å; E224-R412 IonicContact OE1-NE 2.6Å; E224-R412 PolarHBondContact OE1-NE 3.2Å; E224-R412 IonicContact OE2-CZ 3.58Å; E224-R412 IonicContact OE2-NE 2.67Å; E224-R412 PolarHBondContact OE2-NE 2.77Å; E224-R412 IonicContact OE2-NH2 3.91Å; Y227-R412 PolarHBondContact OH-NH1 2.95Å; K410-R412 VanDerWaalsContact C-N 3.27Å; K410-R412 PolarHBondContact O-N 3.43Å; R412-L414 VanDerWaalsContact C-N 3.31Å; R412-G415 PolarHBondContact O-N 3.46Å; R412-A416 PolarHBondContact O-N 3Å
413	N	98.1	Very high	96.7	Very high	76 Å²	76	44.5 Å²	44.5	41%	0.406	21%	0.206	S	C	.	.	H	α-helix	trans	-71	-31.4	179.4	-63.5	-0.2	0	0	0	111.4	K410 F411 Q417	K410-N413 WeakPolarHBondContact O-CB 3.28Å; K410-N413 PolarHBondContact O-N 3.13Å; F411-N413 VanDerWaalsContact C-N 3.3Å; F411-N413 PolarHBondContact O-N 2.88Å; N413-Q417 WeakPolarHBondContact O-CG 3.29Å; N413-Q417 PolarHBondContact O-N 3.22Å; N413-Q417 VanDerWaalsContact O-N 3.17Å; N413-Q417 PolarHBondContact O-NE2 2.95Å
414	L	98.1	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-45.9	172.3	-64.4	-176.6	0	0	0	111.2	M381 V382 K385 P409 K410 F411 R412 Q417 L418	M381-L414 HydrophobicContact CE-CB 3.4Å; M381-L414 VanDerWaalsContact CE-CB 3.4Å; M381-L414 HydrophobicContact CE-CD1 4.33Å; M381-L414 HydrophobicContact CE-CD2 3.51Å; M381-L414 HydrophobicContact CE-CG 3.9Å; M381-L414 HydrophobicContact SD-CB 4.08Å; M381-L414 HydrophobicContact SD-CD2 3.15Å; M381-L414 WeakPolarHBondContact SD-CD2 3.41Å; M381-L414 HydrophobicContact SD-CG 4.15Å; V382-L414 HydrophobicContact CG1-CD1 4.32Å; V382-L414 HydrophobicContact CG2-CD1 3.89Å; K385-L414 HydrophobicContact CB-CD2 3.9Å; K385-L414 HydrophobicContact CG-CD2 4.23Å; P409-L414 HydrophobicContact CB-CD2 3.97Å; P409-L414 HydrophobicContact CB-CG 4.24Å; P409-L414 HydrophobicContact CG-CD1 3.81Å; P409-L414 HydrophobicContact CG-CD2 3.56Å; P409-L414 HydrophobicContact CG-CG 3.92Å; K410-L414 PolarHBondContact O-N 3.46Å; F411-L414 HydrophobicContact CD2-CD1 3.76Å; F411-L414 HydrophobicContact CE2-CD1 4.14Å; F411-L414 WeakPolarHBondContact O-CB 3.4Å; F411-L414 PolarHBondContact O-N 3.14Å; R412-L414 VanDerWaalsContact C-N 3.31Å; L414-Q417 PolarHBondContact O-N 2.9Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 3.39Å
415	G	98.1	Very high	97.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-47	175.4	0	0	0	0	0	112.6	Y293 F411 R412 Q417 L418 Q419	Y293-G415 PolarHBondContact OH-O 2.95Å; F411-G415 PolarHBondContact O-N 2.72Å; R412-G415 PolarHBondContact O-N 3.46Å; G415-Q417 PolarHBondContact O-N 3.43Å; G415-L418 PolarHBondContact O-N 3.27Å; G415-Q419 WeakPolarHBondContact O-CB 3.34Å; G415-Q419 PolarHBondContact O-N 2.99Å
416	A	98.3	Very high	97.4	Very high	32 Å²	32	50.7 Å²	50.7	26%	0.264	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-45.9	177.9	0	0	0	0	0	112.4	R412 L418 Q419 E420	R412-A416 PolarHBondContact O-N 3Å; A416-L418 PolarHBondContact O-N 3.47Å; A416-Q419 WeakPolarHBondContact O-CA 3.18Å; A416-Q419 WeakPolarHBondContact O-CB 3.5Å; A416-Q419 PolarHBondContact O-N 3.39Å; A416-E420 PolarHBondContact O-N 2.84Å
417	Q	97.9	Very high	97.6	Very high	43 Å²	43	50.6 Å²	50.6	20%	0.201	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-35.6	178.8	-74.8	173.5	89.3	0	0	113.3	N413 L414 G415 Q419 E420 R421	N413-Q417 WeakPolarHBondContact O-CG 3.29Å; N413-Q417 PolarHBondContact O-N 3.22Å; N413-Q417 VanDerWaalsContact O-N 3.17Å; N413-Q417 PolarHBondContact O-NE2 2.95Å; L414-Q417 PolarHBondContact O-N 2.9Å; G415-Q417 PolarHBondContact O-N 3.43Å; Q417-Q419 PolarHBondContact O-N 2.94Å; Q417-E420 PolarHBondContact O-N 3Å; Q417-R421 WeakPolarHBondContact O-CG 3.3Å; Q417-R421 PolarHBondContact O-N 3.45Å
418	L	98.5	Very high	97.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-29.3	171.2	-76.2	173.8	0	0	0	111.5	Y293 A296 V297 V377 M381 L414 G415 A416 R421 F422	Y293-L418 HydrophobicContact CD2-CB 4Å; Y293-L418 WeakPolarHBondContact CD2-O 3.45Å; Y293-L418 VanDerWaalsContact CE2-C 3.46Å; Y293-L418 HydrophobicContact CE2-CB 3.5Å; A296-L418 HydrophobicContact CB-CD1 4.2Å; A296-L418 HydrophobicContact CB-CD2 3.89Å; V297-L418 HydrophobicContact CB-CD1 4.02Å; V297-L418 HydrophobicContact CG2-CD1 4.27Å; V377-L418 HydrophobicContact CG1-CD2 4.35Å; M381-L418 HydrophobicContact CE-CD1 3.72Å; M381-L418 HydrophobicContact CE-CD2 4.21Å; M381-L418 HydrophobicContact CE-CG 3.62Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 3.39Å; G415-L418 PolarHBondContact O-N 3.27Å; A416-L418 PolarHBondContact O-N 3.47Å; L418-R421 PolarHBondContact O-N 3.38Å; L418-F422 PolarHBondContact O-N 3.45Å
419	Q	97.3	Very high	97.6	Very high	41 Å²	41	50.5 Å²	50.5	19%	0.192	24%	0.24	C	C	.	.	H	α-helix	trans	-72.4	-39.7	-179.5	-175.7	-84.6	12.9	0	0	110	Q228 F229 Y293 G415 A416 Q417 R421 F422 H423	Q228-Q419 HydrophobicContact CB-CB 4.48Å; Q228-Q419 HydrophobicContact CB-CG 4.31Å; F229-Q419 HydrophobicContact CE2-CG 4.48Å; F229-Q419 HydrophobicContact CZ-CG 4.09Å; Y293-Q419 HydrophobicContact CE2-CB 4.01Å; G415-Q419 WeakPolarHBondContact O-CB 3.34Å; G415-Q419 PolarHBondContact O-N 2.99Å; A416-Q419 WeakPolarHBondContact O-CA 3.18Å; A416-Q419 WeakPolarHBondContact O-CB 3.5Å; A416-Q419 PolarHBondContact O-N 3.39Å; Q417-Q419 PolarHBondContact O-N 2.94Å; Q419-R421 VanDerWaalsContact C-N 3.34Å; Q419-R421 PolarHBondContact O-N 2.89Å; Q419-F422 WeakPolarHBondContact O-CB 3.25Å; Q419-F422 PolarHBondContact O-N 3.26Å; Q419-F422 VanDerWaalsContact O-N 3.11Å; Q419-H423 PolarHBondContact NE2-CE1 3.45Å; Q419-H423 PolarHBondContact O-N 3.29Å; Q419-H423 PolarHBondContact O-ND1 3.32Å
420	E	97.3	Very high	97.3	Very high	117 Å²	117	53.8 Å²	53.8	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-58.2	-48.7	171.8	-68.8	169	-179.1	0	0	110.2	A416 Q417 F422 H423 E424	A416-E420 PolarHBondContact O-N 2.84Å; Q417-E420 PolarHBondContact O-N 3Å; E420-F422 PolarHBondContact O-N 2.9Å; E420-H423 WeakPolarHBondContact O-CB 3.45Å; E420-H423 PolarHBondContact O-N 2.88Å; E420-E424 PolarHBondContact O-N 2.86Å
421	R	97.6	Very high	96.9	Very high	42 Å²	42	49.1 Å²	49.1	16%	0.158	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-26.4	175.8	-66	172.4	-177.4	-148.9	-5.6	113.6	Q417 L418 Q419 A425 E496 N497 L499	Q417-R421 WeakPolarHBondContact O-CG 3.3Å; Q417-R421 PolarHBondContact O-N 3.45Å; L418-R421 PolarHBondContact O-N 3.38Å; Q419-R421 VanDerWaalsContact C-N 3.34Å; Q419-R421 PolarHBondContact O-N 2.89Å; R421-A425 WeakPolarHBondContact O-CA 3.35Å; R421-A425 PolarHBondContact O-N 2.99Å; R421-E496 PolarHBondContact NH1-O 3.3Å; R421-N497 VanDerWaalsContact CD-O 3.24Å; R421-N497 WeakPolarHBondContact CD-O 3.5Å; R421-N497 PolarHBondContact NH1-O 2.76Å; R421-N497 PolarHBondContact NH2-OD1 3Å; R421-L499 HydrophobicContact CB-CD1 4.04Å; R421-L499 HydrophobicContact CB-CG 4.06Å
422	F	98.1	Very high	96.3	Very high	19 Å²	19	54.5 Å²	54.5	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-68.5	-37.4	174.5	161.4	-83.3	0	0	0	111.6	F229 W234 R289 E290 Y293 L418 Q419 E420 E424 A425 L499	F229-F422 AromaticContact CE1-CD1 3.63Å; F229-F422 HydrophobicContact CE1-CD1 3.63Å; F229-F422 HydrophobicContact CE1-CD2 4.35Å; F229-F422 AromaticContact CE1-CE1 3.48Å; F229-F422 HydrophobicContact CE1-CE1 3.48Å; F229-F422 VanDerWaalsContact CE1-CE1 3.48Å; F229-F422 HydrophobicContact CE1-CE2 4.18Å; F229-F422 HydrophobicContact CE1-CG 4.08Å; F229-F422 AromaticContact CE1-CZ 3.77Å; F229-F422 HydrophobicContact CE1-CZ 3.77Å; F229-F422 HydrophobicContact CZ-CB 4.26Å; F229-F422 AromaticContact CZ-CD1 3.7Å; F229-F422 HydrophobicContact CZ-CD1 3.7Å; F229-F422 AromaticContact CZ-CD2 3.99Å; F229-F422 HydrophobicContact CZ-CD2 3.99Å; F229-F422 HydrophobicContact CZ-CE1 4Å; F229-F422 HydrophobicContact CZ-CE2 4.22Å; F229-F422 AromaticContact CZ-CG 3.71Å; F229-F422 HydrophobicContact CZ-CG 3.71Å; F229-F422 HydrophobicContact CZ-CZ 4.24Å; W234-F422 HydrophobicContact CZ3-CE2 4.5Å; R289-F422 VanDerWaalsContact C-CE2 3.5Å; R289-F422 HydrophobicContact CB-CD2 3.96Å; R289-F422 HydrophobicContact CB-CE2 3.55Å; R289-F422 HydrophobicContact CB-CZ 4.21Å; R289-F422 WeakPolarHBondContact O-CD2 3.41Å; E290-F422 HydrophobicContact CG-CE2 4.3Å; Y293-F422 HydrophobicContact CD2-CB 3.94Å; L418-F422 PolarHBondContact O-N 3.45Å; Q419-F422 WeakPolarHBondContact O-CB 3.25Å; Q419-F422 PolarHBondContact O-N 3.26Å; Q419-F422 VanDerWaalsContact O-N 3.11Å; E420-F422 PolarHBondContact O-N 2.9Å; F422-E424 VanDerWaalsContact C-N 3.32Å; F422-A425 WeakPolarHBondContact O-CB 3.45Å; F422-A425 PolarHBondContact O-N 2.86Å; F422-L499 HydrophobicContact CB-CD1 4.27Å
423	H	96	Very high	95.8	Very high	98 Å²	98	54.8 Å²	54.8	45%	0.454	27%	0.268	S	S	.	.	H	α-helix	trans	-67.6	-36.6	177.6	-70.6	77.8	0	0	0	111.5	H232 Q419 E420	H232-H423 AromaticContact NE2-CE1 3.97Å; H232-H423 AromaticContact NE2-NE2 3.67Å; Q419-H423 PolarHBondContact NE2-CE1 3.45Å; Q419-H423 PolarHBondContact O-N 3.29Å; Q419-H423 PolarHBondContact O-ND1 3.32Å; E420-H423 WeakPolarHBondContact O-CB 3.45Å; E420-H423 PolarHBondContact O-N 2.88Å
424	E	96.2	Very high	95.4	Very high	159 Å²	159	53.8 Å²	53.8	74%	0.743	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	5	-179.8	-60.8	-178.1	169.9	0	0	113.5	E420 F422 I426	E420-E424 PolarHBondContact O-N 2.86Å; F422-E424 VanDerWaalsContact C-N 3.32Å; E424-I426 PolarHBondContact O-N 3.26Å
425	A	98.3	Very high	95.1	Very high	11 Å²	11	53.8 Å²	53.8	9%	0.091	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-55.6	140.7	-173.2	0	0	0	0	0	112.6	R289 R421 F422 L499 Y501	R289-A425 HydrophobicContact CG-CB 4Å; R421-A425 WeakPolarHBondContact O-CA 3.35Å; R421-A425 PolarHBondContact O-N 2.99Å; F422-A425 WeakPolarHBondContact O-CB 3.45Å; F422-A425 PolarHBondContact O-N 2.86Å; A425-L499 CarbonylContact C-O 3.56Å; A425-L499 VanDerWaalsContact CA-O 3.23Å; A425-L499 WeakPolarHBondContact CA-O 3.35Å; A425-L499 HydrophobicContact CB-CB 4.04Å; A425-L499 WeakPolarHBondContact CB-O 3.18Å; A425-Y501 HydrophobicContact CB-CD1 4.15Å; A425-Y501 WeakPolarHBondContact O-CE1 3.49Å
426	I	97.6	Very high	94.8	Very high	48 Å²	48	53.9 Å²	53.9	25%	0.246	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.3	-169.9	-57.6	175.9	0	0	0	110.6	E424 V428 P437 D498 L499 I500 Y501	E424-I426 PolarHBondContact O-N 3.26Å; I426-V428 HydrophobicContact CG2-CG1 4.25Å; I426-V428 PolarHBondContact O-N 3.24Å; I426-P437 HydrophobicContact CG2-CB 3.81Å; I426-P437 HydrophobicContact CG2-CG 4.23Å; I426-D498 HydrophobicContact CD1-CB 3.95Å; I426-L499 PolarHBondContact N-O 3.03Å; I426-I500 HydrophobicContact CB-CG2 4.33Å; I426-I500 VanDerWaalsContact O-CA 3.28Å; I426-I500 WeakPolarHBondContact O-CA 3.45Å; I426-Y501 WeakPolarHBondContact O-CD1 3.47Å; I426-Y501 PolarHBondContact O-N 3.47Å
427	Q	98.1	Very high	94.7	Very high	54 Å²	54	53 Å²	53	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	126.5	169.5	-163.4	175.8	17.2	0	0	110.2	M438 Y501 E504	Q427-M438 HydrophobicContact CB-CB 4.4Å; Q427-M438 HydrophobicContact CG-CB 4.46Å; Q427-M438 HydrophobicContact CG-SD 4.27Å; Q427-M438 PolarHBondContact O-N 2.98Å; Q427-Y501 CarbonylContact C-O 3.39Å; Q427-Y501 WeakPolarHBondContact CA-O 3.25Å; Q427-Y501 HydrophobicContact CB-CD2 4.45Å; Q427-Y501 HydrophobicContact CB-CE1 3.9Å; Q427-Y501 HydrophobicContact CB-CE2 3.83Å; Q427-Y501 HydrophobicContact CG-CD2 4.16Å; Q427-Y501 HydrophobicContact CG-CE2 3.65Å; Q427-E504 PolarHBondContact NE2-OE1 2.79Å; Q427-E504 PolarHBondContact OE1-OE1 3Å
428	V	97	Very high	94.5	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	152.6	-179	-60.6	0	0	0	0	112.4	I426 L435 V436 P494 I500 Y501 I502	I426-V428 HydrophobicContact CG2-CG1 4.25Å; I426-V428 PolarHBondContact O-N 3.24Å; V428-L435 HydrophobicContact CB-CB 4.39Å; V428-L435 HydrophobicContact CG2-CB 4.45Å; V428-L435 HydrophobicContact CG2-CD1 4.44Å; V428-L435 HydrophobicContact CG2-CD2 4.13Å; V428-V436 CarbonylContact C-O 3.56Å; V428-V436 VanDerWaalsContact CA-O 3.29Å; V428-V436 WeakPolarHBondContact CA-O 3.33Å; V428-P494 HydrophobicContact CG1-CG 3.8Å; V428-I500 HydrophobicContact CG1-CB 3.93Å; V428-I500 HydrophobicContact CG1-CD1 4.47Å; V428-I500 HydrophobicContact CG1-CG2 3.87Å; V428-I500 HydrophobicContact CG2-CB 4.14Å; V428-I500 HydrophobicContact CG2-CD1 4.19Å; V428-I500 HydrophobicContact CG2-CG1 4.48Å; V428-Y501 PolarHBondContact N-O 3.39Å; V428-I502 HydrophobicContact CG2-CG2 3.8Å
429	T	94.7	Very high	94.2	Very high	31 Å²	31	62 Å²	62	19%	0.19	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	163.2	167.3	-166.8	0	0	0	0	110.8	M431 L435 V436 L441	T429-M431 HydrophobicContact CG2-CE 3.83Å; T429-M431 HydrophobicContact CG2-CG 4.02Å; T429-M431 HydrophobicContact CG2-SD 4.06Å; T429-L435 WeakPolarHBondContact O-CA 3.48Å; T429-V436 HydrophobicContact CG2-CB 4.47Å; T429-V436 PolarHBondContact N-O 2.75Å; T429-V436 PolarHBondContact O-N 3.11Å; T429-L441 HydrophobicContact CG2-CD2 3.89Å
430	Y	93	Very high	93.9	Very high	73 Å²	73	60.6 Å²	60.6	29%	0.286	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.5	178.9	-178.2	-96.8	0	0	0	109.6	A365 K366 L369 N433 R434 L435	A365-Y430 HydrophobicContact CB-CD1 4.49Å; A365-Y430 HydrophobicContact CB-CE1 3.87Å; A365-Y430 HydrophobicContact CB-CE2 3.95Å; K366-Y430 HydrophobicContact CB-CG 4.31Å; L369-Y430 HydrophobicContact CD2-CD2 4.29Å; L369-Y430 HydrophobicContact CD2-CE2 3.98Å; Y430-N433 WeakPolarHBondContact OH-CA 3.15Å; Y430-R434 WeakPolarHBondContact CA-O 3.34Å; Y430-L435 HydrophobicContact CD2-CD2 4.06Å
431	M	88.4	Confident	93.6	Very high	56 Å²	56	56.9 Å²	56.9	28%	0.276	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	142.6	-179.2	-64.2	-174.7	-54.1	0	0	109.2	T429 N433 R434 V436 L441	T429-M431 HydrophobicContact CG2-CE 3.83Å; T429-M431 HydrophobicContact CG2-CG 4.02Å; T429-M431 HydrophobicContact CG2-SD 4.06Å; M431-N433 PolarHBondContact O-N 2.95Å; M431-N433 VanDerWaalsContact O-N 3.16Å; M431-R434 PolarHBondContact N-O 3.31Å; M431-R434 VanDerWaalsContact O-CG 3.28Å; M431-R434 WeakPolarHBondContact O-CG 3.28Å; M431-R434 PolarHBondContact O-N 2.86Å; M431-V436 HydrophobicContact CE-CB 4.08Å; M431-V436 HydrophobicContact CE-CG1 4.23Å; M431-V436 HydrophobicContact CE-CG2 4.16Å; M431-L441 HydrophobicContact CE-CB 4.46Å; M431-L441 HydrophobicContact CE-CD1 3.72Å; M431-L441 HydrophobicContact CE-CD2 3.59Å; M431-L441 HydrophobicContact CE-CG 4.11Å; M431-L441 HydrophobicContact SD-CD1 4.19Å; M431-L441 HydrophobicContact SD-CD2 3.61Å
432	Q	86.3	Confident	93.2	Very high	133 Å²	133	59.2 Å²	59.2	62%	0.621	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	42.8	177.5	-58.1	179.7	-29.1	0	0	113.2	R434	Q432-R434 PolarHBondContact O-N 3.04Å
433	N	87.8	Confident	92.7	Very high	115 Å²	115	63.8 Å²	63.8	62%	0.615	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	18.3	-177.9	-68.6	21.8	0	0	0	116.3	Y430 M431	Y430-N433 WeakPolarHBondContact OH-CA 3.15Å; M431-N433 PolarHBondContact O-N 2.95Å; M431-N433 VanDerWaalsContact O-N 3.16Å
434	R	88.6	Confident	92.1	Very high	56 Å²	56	60.2 Å²	60.2	21%	0.211	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	160.9	177	65.6	179.9	-163.5	161.2	10	112.6	Y430 M431 Q432 V436 P488 S489 L491	Y430-R434 WeakPolarHBondContact CA-O 3.34Å; M431-R434 PolarHBondContact N-O 3.31Å; M431-R434 VanDerWaalsContact O-CG 3.28Å; M431-R434 WeakPolarHBondContact O-CG 3.28Å; M431-R434 PolarHBondContact O-N 2.86Å; Q432-R434 PolarHBondContact O-N 3.04Å; R434-V436 HydrophobicContact CG-CG2 4.02Å; R434-P488 PolarHBondContact NH2-O 2.72Å; R434-S489 PolarHBondContact NH1-O 3.27Å; R434-S489 VanDerWaalsContact NH2-C 3.27Å; R434-S489 PolarHBondContact NH2-O 3.09Å; R434-L491 PolarHBondContact NH2-O 3.46Å; R434-L491 VanDerWaalsContact NH2-O 3.14Å
435	L	92.2	Very high	91.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.6	172.1	-63	175.9	0	0	0	109.3	L369 V428 T429 Y430 I500	L369-L435 HydrophobicContact CB-CD1 4.11Å; L369-L435 HydrophobicContact CB-CG 4.35Å; L369-L435 HydrophobicContact CD2-CD1 4.16Å; L369-L435 HydrophobicContact CD2-CD2 4.37Å; L369-L435 HydrophobicContact CD2-CG 3.75Å; L369-L435 HydrophobicContact CG-CD1 3.73Å; L369-L435 HydrophobicContact CG-CG 3.9Å; V428-L435 HydrophobicContact CB-CB 4.39Å; V428-L435 HydrophobicContact CG2-CB 4.45Å; V428-L435 HydrophobicContact CG2-CD1 4.44Å; V428-L435 HydrophobicContact CG2-CD2 4.13Å; T429-L435 WeakPolarHBondContact O-CA 3.48Å; Y430-L435 HydrophobicContact CD2-CD2 4.06Å; L435-I500 HydrophobicContact CD1-CD1 3.47Å; L435-I500 VanDerWaalsContact CD1-CD1 3.47Å
436	V	91.9	Very high	91	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.1	-178.9	179.9	0	0	0	0	109	V428 T429 M431 R434 M438 L491	V428-V436 CarbonylContact C-O 3.56Å; V428-V436 VanDerWaalsContact CA-O 3.29Å; V428-V436 WeakPolarHBondContact CA-O 3.33Å; T429-V436 HydrophobicContact CG2-CB 4.47Å; T429-V436 PolarHBondContact N-O 2.75Å; T429-V436 PolarHBondContact O-N 3.11Å; M431-V436 HydrophobicContact CE-CB 4.08Å; M431-V436 HydrophobicContact CE-CG1 4.23Å; M431-V436 HydrophobicContact CE-CG2 4.16Å; R434-V436 HydrophobicContact CG-CG2 4.02Å; V436-M438 PolarHBondContact O-N 3Å; V436-L491 HydrophobicContact CG1-CB 3.89Å; V436-L491 HydrophobicContact CG1-CD1 3.63Å; V436-L491 HydrophobicContact CG1-CG 4.22Å
437	P	95.7	Very high	90.2	Very high	14 Å²	14	66.2 Å²	66.2	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	128.5	172.5	-25.8	36.2	0	0	0	111.9	I426 K439 A440 L441 P492	I426-P437 HydrophobicContact CG2-CB 3.81Å; I426-P437 HydrophobicContact CG2-CG 4.23Å; P437-K439 VanDerWaalsContact C-N 3.32Å; P437-K439 PolarHBondContact O-N 3.2Å; P437-A440 HydrophobicContact CB-CB 4.14Å; P437-A440 PolarHBondContact O-N 3.08Å; P437-A440 VanDerWaalsContact O-N 3.16Å; P437-L441 PolarHBondContact O-N 3.31Å; P437-P492 WeakPolarHBondContact CD-O 3.38Å; P437-P492 HydrophobicContact CG-CG 4.5Å
438	M	94	Very high	89.1	Confident	68 Å²	68	67.2 Å²	67.2	34%	0.335	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-38.6	-176.4	-170.2	159.7	177.8	0	0	112.1	Q427 V436 A440 L441 E442	Q427-M438 HydrophobicContact CB-CB 4.4Å; Q427-M438 HydrophobicContact CG-CB 4.46Å; Q427-M438 HydrophobicContact CG-SD 4.27Å; Q427-M438 PolarHBondContact O-N 2.98Å; V436-M438 PolarHBondContact O-N 3Å; M438-A440 VanDerWaalsContact C-N 3.32Å; M438-A440 PolarHBondContact O-N 2.95Å; M438-L441 WeakPolarHBondContact O-CB 3.37Å; M438-L441 PolarHBondContact O-N 2.91Å; M438-E442 WeakPolarHBondContact O-CG 3.48Å; M438-E442 PolarHBondContact O-N 2.73Å
439	K	92.7	Very high	87.8	Confident	164 Å²	164	72.2 Å²	72.2	71%	0.713	35%	0.354	S	S	*	.	H	α-helix	trans	-58.7	-40.5	174.6	-68	-178	178.8	176.3	0	112.8	P437 E442 Q443	P437-K439 VanDerWaalsContact C-N 3.32Å; P437-K439 PolarHBondContact O-N 3.2Å; K439-E442 PolarHBondContact O-N 3.36Å; K439-Q443 WeakPolarHBondContact O-CG 3.36Å; K439-Q443 PolarHBondContact O-N 3.33Å
440	A	91	Very high	86.5	Confident	12 Å²	12	72 Å²	72	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-68.1	-38.1	178.8	0	0	0	0	0	111.3	P437 M438 Q443 L444 L491 P492	P437-A440 HydrophobicContact CB-CB 4.14Å; P437-A440 PolarHBondContact O-N 3.08Å; P437-A440 VanDerWaalsContact O-N 3.16Å; M438-A440 VanDerWaalsContact C-N 3.32Å; M438-A440 PolarHBondContact O-N 2.95Å; A440-Q443 PolarHBondContact O-N 3.23Å; A440-L444 PolarHBondContact O-N 3.08Å; A440-L444 VanDerWaalsContact O-N 3.16Å; A440-L491 HydrophobicContact CB-CD2 3.84Å; A440-P492 HydrophobicContact CB-CG 3.9Å
441	L	89.3	Confident	84.9	Confident	39 Å²	39	72.4 Å²	72.4	20%	0.204	37%	0.366	C	S	.	.	H	α-helix	trans	-64.6	-41.1	173.2	178.9	59.8	0	0	0	112.6	T429 M431 P437 M438 Q443 L444 N445	T429-L441 HydrophobicContact CG2-CD2 3.89Å; M431-L441 HydrophobicContact CE-CB 4.46Å; M431-L441 HydrophobicContact CE-CD1 3.72Å; M431-L441 HydrophobicContact CE-CD2 3.59Å; M431-L441 HydrophobicContact CE-CG 4.11Å; M431-L441 HydrophobicContact SD-CD1 4.19Å; M431-L441 HydrophobicContact SD-CD2 3.61Å; P437-L441 PolarHBondContact O-N 3.31Å; M438-L441 WeakPolarHBondContact O-CB 3.37Å; M438-L441 PolarHBondContact O-N 2.91Å; L441-Q443 VanDerWaalsContact C-N 3.34Å; L441-L444 PolarHBondContact O-N 3.39Å; L441-N445 PolarHBondContact O-N 3.47Å; L441-N445 VanDerWaalsContact O-N 3.13Å
442	E	89.7	Confident	83.5	Confident	91 Å²	91	72.4 Å²	72.4	43%	0.425	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-39.2	177.1	-72.9	171.8	-171.3	0	0	112.3	M438 K439 N445 K446	M438-E442 WeakPolarHBondContact O-CG 3.48Å; M438-E442 PolarHBondContact O-N 2.73Å; K439-E442 PolarHBondContact O-N 3.36Å; E442-N445 PolarHBondContact O-N 2.77Å; E442-K446 WeakPolarHBondContact O-CG 3.19Å; E442-K446 PolarHBondContact O-N 3.21Å; E442-K446 VanDerWaalsContact O-N 3.07Å
443	Q	87.7	Confident	82	Confident	116 Å²	116	71.5 Å²	71.5	54%	0.542	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-45.9	175.5	-74.7	169.1	-25	0	0	111.4	K439 A440 L441 N445 K446 E447	K439-Q443 WeakPolarHBondContact O-CG 3.36Å; K439-Q443 PolarHBondContact O-N 3.33Å; A440-Q443 PolarHBondContact O-N 3.23Å; L441-Q443 VanDerWaalsContact C-N 3.34Å; Q443-N445 VanDerWaalsContact C-N 3.34Å; Q443-N445 PolarHBondContact O-N 2.75Å; Q443-K446 WeakPolarHBondContact O-CB 3.37Å; Q443-K446 PolarHBondContact O-N 3.09Å; Q443-E447 WeakPolarHBondContact O-CG 3.33Å; Q443-E447 PolarHBondContact O-N 2.66Å
444	L	84.3	Confident	80.4	Confident	22 Å²	22	71.4 Å²	71.4	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-58.4	-43.4	174.6	-73.1	-172.8	0	0	0	113.5	A440 L441 K446 E447 S448 L486 L491	A440-L444 PolarHBondContact O-N 3.08Å; A440-L444 VanDerWaalsContact O-N 3.16Å; L441-L444 PolarHBondContact O-N 3.39Å; L444-K446 VanDerWaalsContact C-N 3.28Å; L444-K446 PolarHBondContact O-N 3.38Å; L444-E447 PolarHBondContact O-N 3.06Å; L444-S448 WeakPolarHBondContact O-CB 3.18Å; L444-S448 PolarHBondContact O-N 3.16Å; L444-L486 HydrophobicContact CD2-CB 3.28Å; L444-L486 HydrophobicContact CD2-CD1 3.77Å; L444-L486 HydrophobicContact CD2-CG 4.11Å; L444-L491 HydrophobicContact CD1-CD1 3.47Å; L444-L491 VanDerWaalsContact CD1-CD1 3.47Å; L444-L491 HydrophobicContact CD1-CD2 3.28Å; L444-L491 HydrophobicContact CD1-CG 3.43Å; L444-L491 VanDerWaalsContact CD1-CG 3.43Å; L444-L491 HydrophobicContact CD2-CD2 4.39Å; L444-L491 HydrophobicContact CG-CD2 3.67Å; L444-L491 HydrophobicContact CG-CG 4.37Å
445	N	85.1	Confident	78.6	Confident	91 Å²	91	75.5 Å²	75.5	49%	0.487	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-34.6	-179.7	-72.2	-19.5	0	0	0	111.5	L441 E442 Q443 N449	L441-N445 PolarHBondContact O-N 3.47Å; L441-N445 VanDerWaalsContact O-N 3.13Å; E442-N445 PolarHBondContact O-N 2.77Å; Q443-N445 VanDerWaalsContact C-N 3.34Å; Q443-N445 PolarHBondContact O-N 2.75Å; N445-N449 WeakPolarHBondContact O-CB 3.14Å; N445-N449 VanDerWaalsContact O-CG 3.31Å; N445-N449 PolarHBondContact O-N 3.4Å; N445-N449 VanDerWaalsContact O-N 3.12Å; N445-N449 PolarHBondContact O-ND2 3.34Å
446	K	85.9	Confident	76.7	Confident	150 Å²	150	79.1 Å²	79.1	65%	0.652	42%	0.423	S	S	*	.	H	α-helix	trans	-66.5	-42.8	173.6	-72.3	174.2	-177.6	178.3	0	111.7	E442 Q443 L444 N449 G450	E442-K446 WeakPolarHBondContact O-CG 3.19Å; E442-K446 PolarHBondContact O-N 3.21Å; E442-K446 VanDerWaalsContact O-N 3.07Å; Q443-K446 WeakPolarHBondContact O-CB 3.37Å; Q443-K446 PolarHBondContact O-N 3.09Å; L444-K446 VanDerWaalsContact C-N 3.28Å; L444-K446 PolarHBondContact O-N 3.38Å; K446-N449 PolarHBondContact O-N 2.99Å; K446-G450 PolarHBondContact O-N 3.14Å
447	E	80	Confident	74.7	Confident	104 Å²	104	84.4 Å²	84.4	49%	0.486	45%	0.448	S	S	.	.	H	α-helix	trans	-66.1	-42.8	177.5	-71.1	174	-177.9	0	0	112.2	Q443 L444 N449 G450 N451	Q443-E447 WeakPolarHBondContact O-CG 3.33Å; Q443-E447 PolarHBondContact O-N 2.66Å; L444-E447 PolarHBondContact O-N 3.06Å; E447-N449 PolarHBondContact O-N 3.5Å; E447-G450 PolarHBondContact O-N 2.95Å; E447-N451 PolarHBondContact O-N 2.76Å
448	S	75	Confident	72.6	Confident	74 Å²	74	88.6 Å²	88.6	52%	0.517	48%	0.475	S	S	.	.	H	α-helix	trans	-59.7	-45.1	175.5	-174.3	0	0	0	0	111.9	L444 N451 A452	L444-S448 WeakPolarHBondContact O-CB 3.18Å; L444-S448 PolarHBondContact O-N 3.16Å; S448-N451 PolarHBondContact O-N 3.14Å; S448-A452 PolarHBondContact O-N 3.09Å
449	N	71.4	Confident	70.4	Confident	106 Å²	106	89.4 Å²	89.4	57%	0.567	49%	0.492	S	S	*	.	H	α-helix	trans	-69	-35.5	176.6	-72.1	-14.2	0	0	0	112.5	N445 K446 E447 A452 L453	N445-N449 WeakPolarHBondContact O-CB 3.14Å; N445-N449 VanDerWaalsContact O-CG 3.31Å; N445-N449 PolarHBondContact O-N 3.4Å; N445-N449 VanDerWaalsContact O-N 3.12Å; N445-N449 PolarHBondContact O-ND2 3.34Å; K446-N449 PolarHBondContact O-N 2.99Å; E447-N449 PolarHBondContact O-N 3.5Å; N449-A452 PolarHBondContact O-N 3.39Å; N449-L453 WeakPolarHBondContact O-CG 3.33Å; N449-L453 PolarHBondContact O-N 3.09Å
450	G	65.6	Low	68.1	Low	28 Å²	28	88.5 Å²	88.5	29%	0.289	50%	0.495	S	S	.	.	H	α-helix	trans	-62.5	-40.9	173.8	0	0	0	0	0	112.5	K446 E447 L453 L454	K446-G450 PolarHBondContact O-N 3.14Å; E447-G450 PolarHBondContact O-N 2.95Å; G450-L453 PolarHBondContact O-N 2.89Å; G450-L454 PolarHBondContact O-N 3.44Å
451	N	60.3	Low	65.8	Low	80 Å²	80	95.2 Å²	95.2	43%	0.428	53%	0.528	S	S	.	.	H	α-helix	trans	-70.4	-36.4	175.9	-69	-14.4	0	0	0	112.4	E447 S448 L453 L454 L455	E447-N451 PolarHBondContact O-N 2.76Å; S448-N451 PolarHBondContact O-N 3.14Å; N451-L453 VanDerWaalsContact C-N 3.3Å; N451-L453 PolarHBondContact O-N 2.85Å; N451-L454 PolarHBondContact O-N 2.86Å; N451-L455 WeakPolarHBondContact O-CB 3.5Å; N451-L455 WeakPolarHBondContact O-CG 3.33Å; N451-L455 PolarHBondContact O-N 3.05Å
452	A	58.6	Low	63.6	Low	57 Å²	57	97 Å²	97	47%	0.471	54%	0.544	S	S	.	.	H	α-helix	trans	-61.9	-38.6	171.3	0	0	0	0	0	111.8	S448 N449 S456	S448-A452 PolarHBondContact O-N 3.09Å; N449-A452 PolarHBondContact O-N 3.39Å; A452-S456 WeakPolarHBondContact O-CB 3.48Å; A452-S456 PolarHBondContact O-N 3.12Å; A452-S456 VanDerWaalsContact O-N 3.08Å; A452-S456 PolarHBondContact O-OG 3.08Å
453	L	56.2	Low	61.2	Low	114 Å²	114	98 Å²	98	60%	0.597	56%	0.561	S	S	*	*	H	α-helix	trans	-66.5	-41.9	174.6	-72.2	167.8	0	0	0	112.1	N449 G450 N451 S456 H457	N449-L453 WeakPolarHBondContact O-CG 3.33Å; N449-L453 PolarHBondContact O-N 3.09Å; G450-L453 PolarHBondContact O-N 2.89Å; N451-L453 VanDerWaalsContact C-N 3.3Å; N451-L453 PolarHBondContact O-N 2.85Å; L453-S456 WeakPolarHBondContact CA-OG 3.32Å; L453-S456 PolarHBondContact O-N 3.38Å; L453-S456 PolarHBondContact O-OG 2.79Å; L453-H457 PolarHBondContact O-CE1 3.44Å; L453-H457 PolarHBondContact O-ND1 3Å
454	L	53.2	Low	58.8	Low	112 Å²	112	98.7 Å²	98.7	59%	0.586	57%	0.573	S	S	*	*	H	α-helix	trans	-64.3	-41.1	174.7	-78.4	164	0	0	0	112.7	G450 N451 S456 H457	G450-L454 PolarHBondContact O-N 3.44Å; N451-L454 PolarHBondContact O-N 2.86Å; L454-S456 PolarHBondContact O-N 3.21Å; L454-H457 WeakPolarHBondContact O-CB 3.39Å; L454-H457 PolarHBondContact O-N 3.1Å
455	L	51.7	Low	56.8	Low	142 Å²	142	101.2 Å²	101.2	74%	0.743	61%	0.605	S	S	*	*	H	α-helix	trans	-69	-21.4	176	-72.9	165.3	0	0	0	113	N451 H457	N451-L455 WeakPolarHBondContact O-CB 3.5Å; N451-L455 WeakPolarHBondContact O-CG 3.33Å; N451-L455 PolarHBondContact O-N 3.05Å; L455-H457 VanDerWaalsContact C-N 3.29Å
456	S	51.9	Low	54.5	Low	77 Å²	77	101 Å²	101	54%	0.538	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.3	0.7	174.1	72.3	0	0	0	0	114.2	A452 L453 L454 P458	A452-S456 WeakPolarHBondContact O-CB 3.48Å; A452-S456 PolarHBondContact O-N 3.12Å; A452-S456 VanDerWaalsContact O-N 3.08Å; A452-S456 PolarHBondContact O-OG 3.08Å; L453-S456 WeakPolarHBondContact CA-OG 3.32Å; L453-S456 PolarHBondContact O-N 3.38Å; L453-S456 PolarHBondContact O-OG 2.79Å; L454-S456 PolarHBondContact O-N 3.21Å; S456-P458 WeakPolarHBondContact O-CD 3.45Å
457	H	50.1	Low	52.3	Low	112 Å²	112	100.5 Å²	100.5	52%	0.519	63%	0.625	S	S	.	*			trans	-79.1	117.3	175.6	-78.1	43.2	0	0	0	111.1	L453 L454 L455 A459	L453-H457 PolarHBondContact O-CE1 3.44Å; L453-H457 PolarHBondContact O-ND1 3Å; L454-H457 WeakPolarHBondContact O-CB 3.39Å; L454-H457 PolarHBondContact O-N 3.1Å; L455-H457 VanDerWaalsContact C-N 3.29Å; H457-A459 PolarHBondContact O-N 3.27Å
458	P	50.9	Low	50.1	Low	102 Å²	102	104 Å²	104	66%	0.662	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-63	-16.9	-175.1	-21	31.8	0	0	0	114.9	S456 L460 L461 S462	S456-P458 WeakPolarHBondContact O-CD 3.45Å; P458-L460 PolarHBondContact O-N 3.35Å; P458-L460 VanDerWaalsContact O-N 3.11Å; P458-L461 PolarHBondContact O-N 3.16Å; P458-L461 VanDerWaalsContact O-N 3.09Å; P458-S462 PolarHBondContact O-N 3.29Å; P458-S462 PolarHBondContact O-OG 3Å
459	A	48.5	Very low	48.2	Very low	84 Å²	84	106.6 Å²	106.6	69%	0.694	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-63.3	-18.3	-173.6	0	0	0	0	0	114.4	H457	H457-A459 PolarHBondContact O-N 3.27Å
460	L	44.2	Very low	46.8	Very low	146 Å²	146	106.2 Å²	106.2	76%	0.764	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-89.6	-21	176	-82.3	156.7	0	0	0	113.8	P458	P458-L460 PolarHBondContact O-N 3.35Å; P458-L460 VanDerWaalsContact O-N 3.11Å
461	L	43.1	Very low	45.5	Very low	153 Å²	153	116.2 Å²	116.2	80%	0.801	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-11.2	176.4	-79.9	107.1	0	0	0	113.4	P458 S463	P458-L461 PolarHBondContact O-N 3.16Å; P458-L461 VanDerWaalsContact O-N 3.09Å; L461-S463 PolarHBondContact O-N 3.05Å
462	S	42	Very low	44.6	Very low	77 Å²	77	118 Å²	118	54%	0.538	71%	0.71	S	S	.	*			trans	-95	57.6	178.1	60.9	0	0	0	0	112.6	P458 T464	P458-S462 PolarHBondContact O-N 3.29Å; P458-S462 PolarHBondContact O-OG 3Å; S462-T464 VanDerWaalsContact C-N 3.26Å
463	S	39.7	Very low	43.9	Very low	112 Å²	112	118.3 Å²	118.3	78%	0.783	71%	0.708	S	S	*	*			trans	-97.2	54	155.8	168.6	0	0	0	0	109	L461	L461-S463 PolarHBondContact O-N 3.05Å
464	T	38.1	Very low	43.6	Very low	129 Å²	129	123.5 Å²	123.5	79%	0.791	72%	0.72	S	S	*	*			trans	-87.1	101.4	158.2	49.3	0	0	0	0	107.3	S462	S462-T464 VanDerWaalsContact C-N 3.26Å
465	G	41.9	Very low	43.2	Very low	76 Å²	76	123.3 Å²	123.3	78%	0.784	72%	0.72	S	S	*	*	S	Bend	trans	87.5	76.4	157.9	0	0	0	0	0	116.6
466	A	36.8	Very low	43	Very low	85 Å²	85	119.8 Å²	119.8	70%	0.702	70%	0.704	S	S	*	*			trans	-153.6	123.5	139.4	0	0	0	0	0	108.8	M468	A466-M468 PolarHBondContact O-N 3.39Å
467	T	39.4	Very low	42.6	Very low	141 Å²	141	122.1 Å²	122.1	87%	0.865	71%	0.71	S	S	*	*			trans	-44.7	102.5	175.7	47.8	0	0	0	0	112.6
468	M	32.8	Very low	42.1	Very low	177 Å²	177	121.6 Å²	121.6	87%	0.872	71%	0.711	S	S	*	*			trans	-131.7	94.1	160.1	-79.5	-66	173.2	0	0	108.3	A466 S470	A466-M468 PolarHBondContact O-N 3.39Å; M468-S470 PolarHBondContact O-N 3.22Å; M468-S470 VanDerWaalsContact O-N 3.07Å
469	S	36.7	Very low	41.7	Very low	129 Å²	129	120.7 Å²	120.7	90%	0.902	71%	0.707	S	S	*	*			trans	-59.3	100	160.1	-175.2	0	0	0	0	108.3
470	S	40.4	Very low	41.5	Very low	97 Å²	97	123 Å²	123	68%	0.678	71%	0.707	S	S	*	*	S	Bend	trans	-175.8	135	147.8	-175.4	0	0	0	0	108.5	M468 V472	M468-S470 PolarHBondContact O-N 3.22Å; M468-S470 VanDerWaalsContact O-N 3.07Å; S470-V472 PolarHBondContact O-N 3.46Å
471	R	40	Very low	41.7	Very low	238 Å²	238	121.1 Å²	121.1	90%	0.898	70%	0.702	S	S	*	*			trans	-45.9	94.5	172.7	-65.6	162.7	177.2	174.6	-2.2	110.5	S473	R471-S473 PolarHBondContact O-N 2.92Å
472	V	41.2	Very low	41.7	Very low	118 Å²	118	117.8 Å²	117.8	72%	0.715	69%	0.691	S	S	*	*			trans	-71.3	94.4	157.5	178.7	0	0	0	0	104.7	S470 R474 T476	S470-V472 PolarHBondContact O-N 3.46Å; V472-R474 PolarHBondContact O-N 3.44Å; V472-T476 HydrophobicContact CG1-CG2 4.31Å; V472-T476 WeakPolarHBondContact CG1-OG1 3.36Å
473	S	42.6	Very low	42.1	Very low	63 Å²	63	118 Å²	118	44%	0.441	69%	0.693	S	S	.	*			trans	-51.1	135.8	177.5	-168.3	0	0	0	0	108.7	R471 N475 T476	R471-S473 PolarHBondContact O-N 2.92Å; S473-N475 PolarHBondContact O-N 2.93Å; S473-T476 PolarHBondContact O-N 2.94Å; S473-T476 PolarHBondContact O-OG1 2.74Å
474	R	50.1	Low	42.5	Very low	223 Å²	223	119.1 Å²	119.1	84%	0.842	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.3	-22.8	175.9	-82.7	179.8	-171.9	160.2	2.9	113.1	V472 T476 L477 D478	V472-R474 PolarHBondContact O-N 3.44Å; R474-T476 PolarHBondContact O-N 3.35Å; R474-L477 PolarHBondContact O-N 3.39Å; R474-D478 PolarHBondContact O-N 2.96Å
475	N	45.7	Very low	43.3	Very low	108 Å²	108	117.9 Å²	117.9	58%	0.578	69%	0.692	S	S	*	*	H	α-helix	trans	-56.1	-25.2	173.5	-61.2	13.2	0	0	0	114.7	S473 S479	S473-N475 PolarHBondContact O-N 2.93Å; N475-S479 PolarHBondContact O-N 3.4Å; N475-S479 PolarHBondContact O-OG 3.49Å
476	T	46	Very low	44	Very low	68 Å²	68	118.6 Å²	118.6	42%	0.417	68%	0.677	S	S	.	*	H	α-helix	trans	-80.9	-26.8	-178.7	59.3	0	0	0	0	113.8	V472 S473 R474 D478 S479 L480	V472-T476 HydrophobicContact CG1-CG2 4.31Å; V472-T476 WeakPolarHBondContact CG1-OG1 3.36Å; S473-T476 PolarHBondContact O-N 2.94Å; S473-T476 PolarHBondContact O-OG1 2.74Å; R474-T476 PolarHBondContact O-N 3.35Å; T476-D478 VanDerWaalsContact C-N 3.35Å; T476-S479 PolarHBondContact O-N 3.27Å; T476-L480 PolarHBondContact O-N 3.04Å
477	L	44	Very low	45.4	Very low	127 Å²	127	116.8 Å²	116.8	67%	0.665	66%	0.659	S	S	*	*	H	α-helix	trans	-76.2	-29.7	172.4	-157.7	75	0	0	0	110.8	R474 T481	R474-L477 PolarHBondContact O-N 3.39Å; L477-T481 PolarHBondContact O-N 3.18Å; L477-T481 PolarHBondContact O-OG1 3.42Å
478	D	40.2	Very low	46.6	Very low	101 Å²	101	113.4 Å²	113.4	54%	0.54	64%	0.64	S	S	.	*	H	α-helix	trans	-70.2	-32	168.6	-68.1	-26.4	0	0	0	111.7	R474 T476 T481 S482	R474-D478 PolarHBondContact O-N 2.96Å; T476-D478 VanDerWaalsContact C-N 3.35Å; D478-T481 PolarHBondContact O-OG1 3.38Å; D478-S482 PolarHBondContact O-N 2.03Å; D478-S482 PolarHBondContact O-OG 2.75Å
479	S	43.2	Very low	48.5	Very low	83 Å²	83	108.4 Å²	108.4	58%	0.58	62%	0.622	S	S	*	*	H	α-helix	trans	-72.5	-30.9	176.4	-63.9	0	0	0	0	114.4	N475 T476	N475-S479 PolarHBondContact O-N 3.4Å; N475-S479 PolarHBondContact O-OG 3.49Å; T476-S479 PolarHBondContact O-N 3.27Å
480	L	43.6	Very low	50.5	Low	132 Å²	132	105 Å²	105	69%	0.691	60%	0.599	S	S	*	*	H	α-helix	trans	-81.1	-22.5	179	-78.3	154.1	0	0	0	113.3	T476 S482	T476-L480 PolarHBondContact O-N 3.04Å; L480-S482 VanDerWaalsContact C-N 3.34Å
481	T	47.6	Very low	52.5	Low	106 Å²	106	100.9 Å²	100.9	65%	0.65	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-3.9	173	55.2	0	0	0	0	112.8	L477 D478 S483	L477-T481 PolarHBondContact O-N 3.18Å; L477-T481 PolarHBondContact O-OG1 3.42Å; D478-T481 PolarHBondContact O-OG1 3.38Å; T481-S483 PolarHBondContact O-N 2.65Å
482	S	42.9	Very low	54.7	Low	84 Å²	84	93.1 Å²	93.1	59%	0.587	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	6.4	175.5	-65.7	0	0	0	0	114.1	D478 L480 T484	D478-S482 PolarHBondContact O-N 2.03Å; D478-S482 PolarHBondContact O-OG 2.75Å; L480-S482 VanDerWaalsContact C-N 3.34Å; S482-T484 PolarHBondContact O-N 2.68Å
483	S	50.8	Low	56.9	Low	82 Å²	82	89.4 Å²	89.4	57%	0.573	53%	0.528	S	S	*	.	S	Bend	trans	-67.1	90.8	161.2	62.8	0	0	0	0	107.5	T481 S485	T481-S483 PolarHBondContact O-N 2.65Å; S483-S485 VanDerWaalsContact C-N 3.31Å; S483-S485 PolarHBondContact O-N 3.45Å
484	T	49.6	Very low	59.3	Low	134 Å²	134	86.6 Å²	86.6	82%	0.822	51%	0.509	S	S	*	.			trans	-42	91.2	173.7	16	0	0	0	0	110	S482 L486	S482-T484 PolarHBondContact O-N 2.68Å; T484-L486 PolarHBondContact O-N 2.89Å; T484-L486 VanDerWaalsContact O-N 3.07Å
485	S	54.1	Low	61.3	Low	103 Å²	103	78.6 Å²	78.6	72%	0.72	49%	0.485	S	S	*	.			trans	-56.6	119.1	166.3	62.5	0	0	0	0	106.5	S483 S487	S483-S485 VanDerWaalsContact C-N 3.31Å; S483-S485 PolarHBondContact O-N 3.45Å; S485-S487 VanDerWaalsContact C-N 3.26Å; S485-S487 PolarHBondContact O-N 3.01Å
486	L	55.4	Low	63.5	Low	91 Å²	91	77.3 Å²	77.3	48%	0.476	48%	0.475	S	S	.	.			trans	-58.8	96.8	173.1	-82.4	147.6	0	0	0	107.1	L444 T484 S490	L444-L486 HydrophobicContact CD2-CB 3.28Å; L444-L486 HydrophobicContact CD2-CD1 3.77Å; L444-L486 HydrophobicContact CD2-CG 4.11Å; T484-L486 PolarHBondContact O-N 2.89Å; T484-L486 VanDerWaalsContact O-N 3.07Å; L486-S490 WeakPolarHBondContact CA-OG 3.44Å; L486-S490 WeakPolarHBondContact CD2-OG 3.47Å
487	S	66.5	Low	65.8	Low	47 Å²	47	77.3 Å²	77.3	33%	0.329	47%	0.473	S	S	.	.			trans	-56.1	146.2	175.6	60.6	0	0	0	0	109	S485 S489 S490	S485-S487 VanDerWaalsContact C-N 3.26Å; S485-S487 PolarHBondContact O-N 3.01Å; S487-S489 WeakPolarHBondContact CB-OG 3.33Å; S487-S489 PolarHBondContact O-N 2.99Å; S487-S489 PolarHBondContact OG-OG 2.76Å; S487-S490 PolarHBondContact N-OG 3.49Å; S487-S490 WeakPolarHBondContact O-CB 3.43Å; S487-S490 PolarHBondContact O-N 3.21Å; S487-S490 PolarHBondContact O-OG 2.84Å
488	P	65.7	Low	68.3	Low	71 Å²	71	73.3 Å²	73.3	46%	0.461	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-52.1	-23.7	176.2	-29.3	35.3	0	0	0	114.2	R434	R434-P488 PolarHBondContact NH2-O 2.72Å
489	S	71.4	Confident	71.1	Confident	72 Å²	72	68.5 Å²	68.5	50%	0.503	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-69.8	-25.8	172.6	32.8	0	0	0	0	115.1	R434 S487	R434-S489 PolarHBondContact NH1-O 3.27Å; R434-S489 VanDerWaalsContact NH2-C 3.27Å; R434-S489 PolarHBondContact NH2-O 3.09Å; S487-S489 WeakPolarHBondContact CB-OG 3.33Å; S487-S489 PolarHBondContact O-N 2.99Å; S487-S489 PolarHBondContact OG-OG 2.76Å
490	S	79.1	Confident	73.7	Confident	58 Å²	58	64.6 Å²	64.6	41%	0.406	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-85.3	-7.2	-179	65.3	0	0	0	0	114.6	L486 S487	L486-S490 WeakPolarHBondContact CA-OG 3.44Å; L486-S490 WeakPolarHBondContact CD2-OG 3.47Å; S487-S490 PolarHBondContact N-OG 3.49Å; S487-S490 WeakPolarHBondContact O-CB 3.43Å; S487-S490 PolarHBondContact O-N 3.21Å; S487-S490 PolarHBondContact O-OG 2.84Å
491	L	82.6	Confident	76.3	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.052	37%	0.368	C	S	.	.	S	Bend	trans	-59.1	143.9	176.9	-75.7	165.3	0	0	0	112.1	R434 V436 A440 L444	R434-L491 PolarHBondContact NH2-O 3.46Å; R434-L491 VanDerWaalsContact NH2-O 3.14Å; V436-L491 HydrophobicContact CG1-CB 3.89Å; V436-L491 HydrophobicContact CG1-CD1 3.63Å; V436-L491 HydrophobicContact CG1-CG 4.22Å; A440-L491 HydrophobicContact CB-CD2 3.84Å; L444-L491 HydrophobicContact CD1-CD1 3.47Å; L444-L491 VanDerWaalsContact CD1-CD1 3.47Å; L444-L491 HydrophobicContact CD1-CD2 3.28Å; L444-L491 HydrophobicContact CD1-CG 3.43Å; L444-L491 VanDerWaalsContact CD1-CG 3.43Å; L444-L491 HydrophobicContact CD2-CD2 4.39Å; L444-L491 HydrophobicContact CG-CD2 3.67Å; L444-L491 HydrophobicContact CG-CG 4.37Å
492	P	87.2	Confident	78.7	Confident	75 Å²	75	54.5 Å²	54.5	49%	0.487	34%	0.341	S	S	.	.			trans	-62.3	149	176.6	27.3	-35	0	0	0	111.1	P437 A440	P437-P492 WeakPolarHBondContact CD-O 3.38Å; P437-P492 HydrophobicContact CG-CG 4.5Å; A440-P492 HydrophobicContact CB-CG 3.9Å
493	S	87.8	Confident	81.3	Confident	39 Å²	39	52.6 Å²	52.6	27%	0.273	33%	0.327	S	S	.	.			trans	-105.4	149.7	169.5	-64.6	0	0	0	0	109.2
494	P	91.7	Very high	83.5	Confident	4 Å²	4	53.1 Å²	53.1	3%	0.026	32%	0.321	C	S	.	.			trans	-55.2	145.3	169.9	-21.9	33.5	0	0	0	111.4	H150 V428 D498 I500	H150-P494 PolarHBondContact CD2-O 3.44Å; H150-P494 PolarHBondContact NE2-O 2.86Å; V428-P494 HydrophobicContact CG1-CG 3.8Å; P494-D498 HydrophobicContact CB-CB 4.31Å; P494-I500 HydrophobicContact CB-CG2 3.65Å; P494-I500 HydrophobicContact CG-CD1 4.34Å; P494-I500 HydrophobicContact CG-CG2 3.85Å
495	T	93.1	Very high	85.7	Confident	56 Å²	56	48.1 Å²	48.1	34%	0.344	29%	0.291	S	S	.	.			trans	-95.7	172.5	177.9	69	0	0	0	0	111.3	H373 N497 D498	H373-T495 PolarHBondContact CE1-O 3.28Å; H373-T495 PolarHBondContact NE2-O 3.46Å; T495-N497 PolarHBondContact O-N 3.07Å; T495-N497 VanDerWaalsContact O-N 3.08Å; T495-N497 PolarHBondContact OG1-N 3.07Å; T495-D498 WeakPolarHBondContact CB-OD2 3.17Å; T495-D498 PolarHBondContact N-OD2 2.91Å; T495-D498 PolarHBondContact O-N 2.67Å; T495-D498 VanDerWaalsContact O-N 3.09Å; T495-D498 VanDerWaalsContact OG1-CG 3.3Å; T495-D498 PolarHBondContact OG1-OD2 2.82Å
496	E	91.5	Very high	87.7	Confident	80 Å²	80	45 Å²	45	37%	0.374	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-13	168.9	64.4	-90.3	-164.3	0	0	114.3	Y376 H380 R421	Y376-E496 HydrophobicContact CE1-CB 3.78Å; H380-E496 VanDerWaalsContact CD2-CB 3.47Å; H380-E496 WeakPolarHBondContact CD2-CB 3.24Å; H380-E496 WeakPolarHBondContact NE2-CG 3.15Å; R421-E496 PolarHBondContact NH1-O 3.3Å
497	N	93.7	Very high	89.6	Confident	68 Å²	68	44.8 Å²	44.8	36%	0.364	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-14.8	177.3	-66.6	-46.5	0	0	0	113.7	R421 T495	R421-N497 VanDerWaalsContact CD-O 3.24Å; R421-N497 WeakPolarHBondContact CD-O 3.5Å; R421-N497 PolarHBondContact NH1-O 2.76Å; R421-N497 PolarHBondContact NH2-OD1 3Å; T495-N497 PolarHBondContact O-N 3.07Å; T495-N497 VanDerWaalsContact O-N 3.08Å; T495-N497 PolarHBondContact OG1-N 3.07Å
498	D	96.2	Very high	91.1	Very high	43 Å²	43	43 Å²	43	23%	0.23	26%	0.258	C	S	.	.			trans	-96.7	119.3	-171.4	-57.8	-46.3	0	0	0	111.3	H373 V377 I426 P494 T495 I500	H373-D498 PolarHBondContact CD2-O 3.26Å; H373-D498 PolarHBondContact NE2-O 2.78Å; V377-D498 WeakPolarHBondContact CG2-O 3.48Å; I426-D498 HydrophobicContact CD1-CB 3.95Å; P494-D498 HydrophobicContact CB-CB 4.31Å; T495-D498 WeakPolarHBondContact CB-OD2 3.17Å; T495-D498 PolarHBondContact N-OD2 2.91Å; T495-D498 PolarHBondContact O-N 2.67Å; T495-D498 VanDerWaalsContact O-N 3.09Å; T495-D498 VanDerWaalsContact OG1-CG 3.3Å; T495-D498 PolarHBondContact OG1-OD2 2.82Å; D498-I500 HydrophobicContact CB-CG2 4.34Å
499	L	98.5	Very high	92.6	Very high	1 Å²	1	40 Å²	40	1%	0.005	24%	0.238	C	C	.	.			trans	-73.5	139.8	160	-70.8	-179.2	0	0	0	109.1	A292 A296 N374 V377 R421 F422 A425 I426	A292-L499 HydrophobicContact CB-CB 4.43Å; A296-L499 HydrophobicContact CB-CD2 3.68Å; N374-L499 HydrophobicContact CB-CD2 4.47Å; V377-L499 HydrophobicContact CB-CD2 4.16Å; V377-L499 HydrophobicContact CG1-CD2 3.77Å; V377-L499 HydrophobicContact CG1-CG 4.43Å; R421-L499 HydrophobicContact CB-CD1 4.04Å; R421-L499 HydrophobicContact CB-CG 4.06Å; F422-L499 HydrophobicContact CB-CD1 4.27Å; A425-L499 CarbonylContact C-O 3.56Å; A425-L499 VanDerWaalsContact CA-O 3.23Å; A425-L499 WeakPolarHBondContact CA-O 3.35Å; A425-L499 HydrophobicContact CB-CB 4.04Å; A425-L499 WeakPolarHBondContact CB-O 3.18Å; I426-L499 PolarHBondContact N-O 3.03Å
500	I	98.3	Very high	93.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.9	-174.7	61.9	177.2	0	0	0	112.7	A292 T370 H373 N374 I426 V428 L435 P494 D498	A292-I500 WeakPolarHBondContact CB-O 3.13Å; T370-I500 HydrophobicContact CG2-CD1 4.36Å; T370-I500 HydrophobicContact CG2-CG1 3.92Å; T370-I500 WeakPolarHBondContact CG2-O 3.25Å; H373-I500 HydrophobicContact CB-CD1 3.62Å; H373-I500 HydrophobicContact CB-CG1 4.19Å; H373-I500 VanDerWaalsContact CD2-CD1 3.49Å; H373-I500 WeakPolarHBondContact CD2-CD1 3.22Å; H373-I500 VanDerWaalsContact CG-CD1 3.47Å; N374-I500 PolarHBondContact ND2-O 2.98Å; N374-I500 PolarHBondContact OD1-N 2.75Å; N374-I500 PolarHBondContact OD1-O 3.47Å; I426-I500 HydrophobicContact CB-CG2 4.33Å; I426-I500 VanDerWaalsContact O-CA 3.28Å; I426-I500 WeakPolarHBondContact O-CA 3.45Å; V428-I500 HydrophobicContact CG1-CB 3.93Å; V428-I500 HydrophobicContact CG1-CD1 4.47Å; V428-I500 HydrophobicContact CG1-CG2 3.87Å; V428-I500 HydrophobicContact CG2-CB 4.14Å; V428-I500 HydrophobicContact CG2-CD1 4.19Å; V428-I500 HydrophobicContact CG2-CG1 4.48Å; L435-I500 HydrophobicContact CD1-CD1 3.47Å; L435-I500 VanDerWaalsContact CD1-CD1 3.47Å; P494-I500 HydrophobicContact CB-CG2 3.65Å; P494-I500 HydrophobicContact CG-CD1 4.34Å; P494-I500 HydrophobicContact CG-CG2 3.85Å; D498-I500 HydrophobicContact CB-CG2 4.34Å
501	Y	98.6	Very high	94.5	Very high	12 Å²	12	43.3 Å²	43.3	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	159	-179.7	74.5	-86.7	0	0	0	111.5	R289 A425 I426 Q427 V428 S503 E504	R289-Y501 HydrophobicContact CG-CD1 3.34Å; R289-Y501 HydrophobicContact CG-CD2 4.26Å; R289-Y501 HydrophobicContact CG-CE1 3.6Å; R289-Y501 HydrophobicContact CG-CE2 4.48Å; R289-Y501 HydrophobicContact CG-CG 3.7Å; R289-Y501 PolarHBondContact NH1-OH 2.84Å; A425-Y501 HydrophobicContact CB-CD1 4.15Å; A425-Y501 WeakPolarHBondContact O-CE1 3.49Å; I426-Y501 WeakPolarHBondContact O-CD1 3.47Å; I426-Y501 PolarHBondContact O-N 3.47Å; Q427-Y501 CarbonylContact C-O 3.39Å; Q427-Y501 WeakPolarHBondContact CA-O 3.25Å; Q427-Y501 HydrophobicContact CB-CD2 4.45Å; Q427-Y501 HydrophobicContact CB-CE1 3.9Å; Q427-Y501 HydrophobicContact CB-CE2 3.83Å; Q427-Y501 HydrophobicContact CG-CD2 4.16Å; Q427-Y501 HydrophobicContact CG-CE2 3.65Å; V428-Y501 PolarHBondContact N-O 3.39Å; Y501-S503 VanDerWaalsContact CD2-O 3.25Å; Y501-S503 WeakPolarHBondContact CD2-O 3.47Å; Y501-E504 VanDerWaalsContact CE2-OE1 3.3Å; Y501-E504 WeakPolarHBondContact CE2-OE1 3.39Å; Y501-E504 PolarHBondContact OH-OE1 3.46Å
502	I	98	Very high	95	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.077	24%	0.244	C	C	.	.	S	Bend	trans	-118.1	-16	-174.6	57	158	0	0	0	114.1	G287 K366 L367 T370 V428	G287-I502 WeakPolarHBondContact O-CG1 3.25Å; G287-I502 PolarHBondContact O-N 2.77Å; K366-I502 HydrophobicContact CD-CB 4.19Å; K366-I502 HydrophobicContact CD-CD1 4.17Å; K366-I502 HydrophobicContact CD-CG2 4.19Å; K366-I502 HydrophobicContact CG-CB 4.28Å; K366-I502 HydrophobicContact CG-CD1 4.11Å; K366-I502 HydrophobicContact CG-CG2 3.8Å; K366-I502 PolarHBondContact NZ-O 3.44Å; L367-I502 HydrophobicContact CB-CD1 3.85Å; L367-I502 HydrophobicContact CD1-CD1 3.88Å; L367-I502 HydrophobicContact CD1-CG1 4.43Å; L367-I502 HydrophobicContact CG-CD1 4.43Å; T370-I502 HydrophobicContact CG2-CG2 3.9Å; T370-I502 WeakPolarHBondContact OG1-CG2 3.49Å; V428-I502 HydrophobicContact CG2-CG2 3.8Å
503	S	97.1	Very high	95.3	Very high	44 Å²	44	42.5 Å²	42.5	31%	0.308	23%	0.232	S	C	.	.	S	Bend	trans	-133.2	137	-176.2	-55.1	0	0	0	0	110	K286 G287 T288 Y501	K286-S503 VanDerWaalsContact O-CB 3.25Å; K286-S503 WeakPolarHBondContact O-CB 3.36Å; K286-S503 PolarHBondContact O-OG 3.04Å; G287-S503 PolarHBondContact O-N 3.31Å; T288-S503 WeakPolarHBondContact CA-O 3.38Å; Y501-S503 VanDerWaalsContact CD2-O 3.25Å; Y501-S503 WeakPolarHBondContact CD2-O 3.47Å
504	E	97.1	Very high	95.4	Very high	93 Å²	93	48.6 Å²	48.6	44%	0.435	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-62.5	146.7	174.9	-72.9	-57.2	142.3	0	0	112.3	R289 Q427 Y501	R289-E504 IonicContact CZ-OE2 2.79Å; R289-E504 IonicContact NH2-OE2 3.57Å; R289-E504 PolarHBondContact NH2-OE2 3.33Å; Q427-E504 PolarHBondContact NE2-OE1 2.79Å; Q427-E504 PolarHBondContact OE1-OE1 3Å; Y501-E504 VanDerWaalsContact CE2-OE1 3.3Å; Y501-E504 WeakPolarHBondContact CE2-OE1 3.39Å; Y501-E504 PolarHBondContact OH-OE1 3.46Å
505	S	97.1	Very high	95.5	Very high	29 Å²	29	52.6 Å²	52.6	20%	0.203	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-76.3	136.8	-178.5	-58.1	0	0	0	0	110.2	E290	E290-S505 WeakPolarHBondContact OE1-CB 3.48Å; E290-S505 PolarHBondContact OE1-OG 2.83Å; E290-S505 WeakPolarHBondContact OE2-CB 3.3Å; E290-S505 PolarHBondContact OE2-OG 3.46Å
506	P	95.8	Very high	95.4	Very high	37 Å²	37	50.1 Å²	50.1	24%	0.24	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-67.8	172.7	171.4	32.7	-37.1	0	0	0	110.5	F508 Y515	P506-F508 HydrophobicContact CG-CD1 4.11Å; P506-F508 HydrophobicContact CG-CD2 4.13Å; P506-F508 HydrophobicContact CG-CE1 3.73Å; P506-F508 HydrophobicContact CG-CE2 3.74Å; P506-F508 HydrophobicContact CG-CG 4.3Å; P506-F508 HydrophobicContact CG-CZ 3.54Å; P506-F508 WeakPolarHBondContact O-CD2 3.14Å; P506-F508 WeakPolarHBondContact O-CE2 3.32Å; P506-F508 PolarHBondContact O-N 3.26Å; P506-Y515 HydrophobicContact CB-CD1 4.46Å; P506-Y515 HydrophobicContact CB-CG 4.44Å; P506-Y515 HydrophobicContact CG-CD1 4.07Å; P506-Y515 HydrophobicContact CG-CG 4.13Å
507	T	95.4	Very high	95.6	Very high	87 Å²	87	46.5 Å²	46.5	53%	0.534	23%	0.233	S	C	.	.			trans	-70.4	-18.8	-179.1	61.8	0	0	0	0	114.1	R233 C509	R233-T507 WeakPolarHBondContact CD-O 3.28Å; T507-C509 PolarHBondContact O-N 3.29Å
508	F	96.9	Very high	95.5	Very high	10 Å²	10	45.5 Å²	45.5	4%	0.044	23%	0.227	C	C	.	.			trans	55.1	9.6	-172.4	-61	-80.4	0	0	0	115.8	R233 W234 L283 E290 P506 G519	R233-F508 HydrophobicContact CB-CB 4.11Å; W234-F508 HydrophobicContact CB-CB 4.32Å; W234-F508 HydrophobicContact CB-CD1 4.02Å; W234-F508 HydrophobicContact CB-CD2 3.74Å; W234-F508 HydrophobicContact CB-CE1 4.22Å; W234-F508 HydrophobicContact CB-CE2 3.95Å; W234-F508 HydrophobicContact CB-CG 3.77Å; W234-F508 HydrophobicContact CB-CZ 4.18Å; W234-F508 AromaticContact CD1-CE1 3.78Å; W234-F508 HydrophobicContact CG-CD1 4.39Å; W234-F508 HydrophobicContact CG-CE1 4.22Å; W234-F508 HydrophobicContact CG-CE2 4.45Å; W234-F508 HydrophobicContact CG-CZ 4.25Å; L283-F508 HydrophobicContact CD1-CE1 4.21Å; L283-F508 HydrophobicContact CD1-CZ 4.21Å; E290-F508 VanDerWaalsContact CD-CE2 3.45Å; E290-F508 HydrophobicContact CG-CE2 3.87Å; E290-F508 HydrophobicContact CG-CZ 3.75Å; E290-F508 WeakPolarHBondContact OE1-CE2 3.29Å; P506-F508 HydrophobicContact CG-CD1 4.11Å; P506-F508 HydrophobicContact CG-CD2 4.13Å; P506-F508 HydrophobicContact CG-CE1 3.73Å; P506-F508 HydrophobicContact CG-CE2 3.74Å; P506-F508 HydrophobicContact CG-CG 4.3Å; P506-F508 HydrophobicContact CG-CZ 3.54Å; P506-F508 WeakPolarHBondContact O-CD2 3.14Å; P506-F508 WeakPolarHBondContact O-CE2 3.32Å; P506-F508 PolarHBondContact O-N 3.26Å; F508-G519 CarbonylContact O-C 3.43Å; F508-G519 WeakPolarHBondContact O-CA 3.34Å
509	C	97	Very high	95.5	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.047	22%	0.219	C	C	.	.	S	Bend	trans	-67.2	-37.8	179.3	-66.7	0	0	0	0	112.5	T507 T520 C540 R542	T507-C509 PolarHBondContact O-N 3.29Å; C509-T520 PolarHBondContact O-N 2.81Å; C509-T520 PolarHBondContact O-OG1 3.05Å; C509-C540 VanDerWaalsContact CA-SG 3.52Å; C509-C540 HydrophobicContact CB-CB 3.7Å; C509-C540 WeakPolarHBondContact CB-SG 3.24Å; C509-C540 WeakPolarHBondContact SG-CB 3.43Å; C509-C540 CovalentContact SG-SG 2.03Å; C509-C540 PolarHBondContact SG-SG 2.83Å; C509-R542 PolarHBondContact O-NH1 2.99Å
510	H	95.9	Very high	95.4	Very high	98 Å²	98	43.6 Å²	43.6	45%	0.454	22%	0.219	S	C	.	.	S	Bend	trans	-112.1	152.8	-177	-56.2	-77.6	0	0	0	110.8	D512 S517 G519 Y521	H510-D512 PolarHBondContact O-N 2.83Å; H510-S517 PolarHBondContact O-OG 2.82Å; H510-G519 VanDerWaalsContact C-CA 3.46Å; H510-Y521 PolarHBondContact CE1-OH 2.82Å; H510-Y521 VanDerWaalsContact CE1-OH 3.25Å; H510-Y521 AromaticContact ND1-CE2 3.5Å; H510-Y521 AromaticContact ND1-CZ 3.66Å; H510-Y521 PolarHBondContact ND1-OH 3.46Å
511	H	94.3	Very high	95.3	Very high	102 Å²	102	49.1 Å²	49.1	47%	0.472	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	121.6	168.4	-179.6	-97.7	0	0	0	109.3	Y279 P513	Y279-H511 AromaticContact CE1-NE2 3.58Å; Y279-H511 AromaticContact CZ-NE2 3.53Å; Y279-H511 PolarHBondContact OH-CE1 2.71Å; Y279-H511 PolarHBondContact OH-NE2 3.43Å; H511-P513 WeakPolarHBondContact CE1-CG 3.34Å
512	D	94.2	Very high	95.2	Very high	31 Å²	31	50.9 Å²	50.9	17%	0.166	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	94.8	175.1	-170.3	-17.9	0	0	0	109.5	H510 R514 Y515 G516 S517	H510-D512 PolarHBondContact O-N 2.83Å; D512-R514 PolarHBondContact O-N 3.17Å; D512-R514 VanDerWaalsContact O-N 3.08Å; D512-R514 WeakPolarHBondContact OD1-CB 3.46Å; D512-R514 WeakPolarHBondContact OD1-CG 3.38Å; D512-R514 IonicContact OD1-CZ 3.39Å; D512-R514 PolarHBondContact OD1-N 2.02Å; D512-R514 IonicContact OD1-NE 3.39Å; D512-R514 PolarHBondContact OD1-NE 3.38Å; D512-R514 IonicContact OD1-NH2 3.51Å; D512-R514 IonicContact OD2-CZ 3.42Å; D512-R514 IonicContact OD2-NE 3.47Å; D512-R514 PolarHBondContact OD2-NE 3.47Å; D512-R514 IonicContact OD2-NH2 2.74Å; D512-R514 PolarHBondContact OD2-NH2 3.3Å; D512-Y515 PolarHBondContact O-N 2.5Å; D512-Y515 VanDerWaalsContact O-N 3.15Å; D512-Y515 WeakPolarHBondContact OD2-CD2 3.41Å; D512-G516 PolarHBondContact O-N 2.99Å; D512-S517 CarbonylContact C-O 3.48Å; D512-S517 PolarHBondContact N-O 3.29Å; D512-S517 PolarHBondContact O-N 3.42Å
513	P	92.1	Very high	95.1	Very high	37 Å²	37	51.6 Å²	51.6	24%	0.24	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.5	179.4	-24.6	34.3	0	0	0	113.8	V243 Y279 K282 H511 Y515 G516	V243-P513 HydrophobicContact CG1-CB 3.87Å; V243-P513 HydrophobicContact CG2-CB 4.41Å; Y279-P513 HydrophobicContact CE1-CB 4.03Å; Y279-P513 HydrophobicContact CE1-CG 4.07Å; K282-P513 WeakPolarHBondContact CG-O 3.17Å; H511-P513 WeakPolarHBondContact CE1-CG 3.34Å; P513-Y515 VanDerWaalsContact C-N 3.28Å; P513-Y515 PolarHBondContact O-N 2.98Å; P513-G516 PolarHBondContact O-N 2.88Å
514	R	91.7	Very high	95.1	Very high	167 Å²	167	55.8 Å²	55.8	63%	0.63	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-32.3	-180	-57.7	171.5	-64.1	179.1	3.3	111.3	K286 D512	K286-R514 WeakPolarHBondContact CE-O 3.42Å; K286-R514 PolarHBondContact NZ-O 3.21Å; D512-R514 PolarHBondContact O-N 3.17Å; D512-R514 VanDerWaalsContact O-N 3.08Å; D512-R514 WeakPolarHBondContact OD1-CB 3.46Å; D512-R514 WeakPolarHBondContact OD1-CG 3.38Å; D512-R514 IonicContact OD1-CZ 3.39Å; D512-R514 PolarHBondContact OD1-N 2.02Å; D512-R514 IonicContact OD1-NE 3.39Å; D512-R514 PolarHBondContact OD1-NE 3.38Å; D512-R514 IonicContact OD1-NH2 3.51Å; D512-R514 IonicContact OD2-CZ 3.42Å; D512-R514 IonicContact OD2-NE 3.47Å; D512-R514 PolarHBondContact OD2-NE 3.47Å; D512-R514 IonicContact OD2-NH2 2.74Å; D512-R514 PolarHBondContact OD2-NH2 3.3Å
515	Y	92.7	Very high	95	Very high	88 Å²	88	51.8 Å²	51.8	35%	0.345	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	0.6	178.5	-72.3	-91.3	0	0	0	113.2	L283 K286 P506 D512 P513 S517	L283-Y515 WeakPolarHBondContact CD1-O 3.42Å; K286-Y515 HydrophobicContact CD-CD1 4.33Å; K286-Y515 HydrophobicContact CD-CE1 4.44Å; K286-Y515 HydrophobicContact CG-CD1 3.97Å; K286-Y515 HydrophobicContact CG-CE1 4.46Å; P506-Y515 HydrophobicContact CB-CD1 4.46Å; P506-Y515 HydrophobicContact CB-CG 4.44Å; P506-Y515 HydrophobicContact CG-CD1 4.07Å; P506-Y515 HydrophobicContact CG-CG 4.13Å; D512-Y515 PolarHBondContact O-N 2.5Å; D512-Y515 VanDerWaalsContact O-N 3.15Å; D512-Y515 WeakPolarHBondContact OD2-CD2 3.41Å; P513-Y515 VanDerWaalsContact C-N 3.28Å; P513-Y515 PolarHBondContact O-N 2.98Å; Y515-S517 VanDerWaalsContact C-N 3.27Å
516	G	91.7	Very high	95	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.031	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	20	-173	0	0	0	0	0	113.3	Y279 D512 P513	Y279-G516 VanDerWaalsContact O-CA 3.28Å; Y279-G516 WeakPolarHBondContact O-CA 3.36Å; D512-G516 PolarHBondContact O-N 2.99Å; P513-G516 PolarHBondContact O-N 2.88Å
517	S	94.7	Very high	94.9	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.028	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126	177.8	-177.9	0	0	0	0	111	H510 D512 Y515 G519	H510-S517 PolarHBondContact O-OG 2.82Å; D512-S517 CarbonylContact C-O 3.48Å; D512-S517 PolarHBondContact N-O 3.29Å; D512-S517 PolarHBondContact O-N 3.42Å; Y515-S517 VanDerWaalsContact C-N 3.27Å; S517-G519 PolarHBondContact OG-N 3.04Å
518	I	93.3	Very high	94.8	Very high	47 Å²	47	58.2 Å²	58.2	24%	0.241	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-15	171.4	61	168.8	0	0	0	112.9	Q237 L241 Y279	Q237-I518 HydrophobicContact CB-CD1 3.77Å; L241-I518 HydrophobicContact CD1-CG2 3.85Å; Y279-I518 HydrophobicContact CD1-CG2 4.04Å; Y279-I518 HydrophobicContact CE1-CG2 4.38Å; Y279-I518 HydrophobicContact CG-CG2 4.42Å
519	G	95.6	Very high	94.7	Very high	5 Å²	5	59 Å²	59	5%	0.052	29%	0.291	C	S	.	.			trans	82.6	173.1	-176.4	0	0	0	0	0	114	F508 H510 S517	F508-G519 CarbonylContact O-C 3.43Å; F508-G519 WeakPolarHBondContact O-CA 3.34Å; H510-G519 VanDerWaalsContact C-CA 3.46Å; S517-G519 PolarHBondContact OG-N 3.04Å
520	T	96.9	Very high	94.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-105.7	3.9	179.6	59.6	0	0	0	0	114.3	R233 C509 G522 R523 L538 R542 C579	R233-T520 HydrophobicContact CB-CG2 4.05Å; R233-T520 HydrophobicContact CG-CG2 4.21Å; C509-T520 PolarHBondContact O-N 2.81Å; C509-T520 PolarHBondContact O-OG1 3.05Å; T520-G522 PolarHBondContact O-N 3.36Å; T520-R523 WeakPolarHBondContact O-CB 3Å; T520-R523 WeakPolarHBondContact O-CG 3.01Å; T520-R523 PolarHBondContact O-N 3.28Å; T520-L538 VanDerWaalsContact CB-O 3.23Å; T520-L538 WeakPolarHBondContact CB-O 3.42Å; T520-L538 HydrophobicContact CG2-CD1 4.39Å; T520-L538 WeakPolarHBondContact CG2-O 3.43Å; T520-L538 PolarHBondContact OG1-O 3.09Å; T520-R542 PolarHBondContact OG1-NH2 3.23Å; T520-C579 VanDerWaalsContact O-CB 3.27Å; T520-C579 WeakPolarHBondContact O-CB 3.21Å
521	Y	96.2	Very high	94.4	Very high	116 Å²	116	64.3 Å²	64.3	46%	0.455	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	132.3	178.7	-70.2	-86	0	0	0	111.2	H510 R523 R542 N580	H510-Y521 PolarHBondContact CE1-OH 2.82Å; H510-Y521 VanDerWaalsContact CE1-OH 3.25Å; H510-Y521 AromaticContact ND1-CE2 3.5Å; H510-Y521 AromaticContact ND1-CZ 3.66Å; H510-Y521 PolarHBondContact ND1-OH 3.46Å; Y521-R523 PolarHBondContact O-N 3.38Å; Y521-R542 VanDerWaalsContact CE1-NE 3.28Å; Y521-R542 PolarHBondContact OH-NH1 3.26Å; Y521-N580 WeakPolarHBondContact CD1-O 3.34Å; Y521-N580 WeakPolarHBondContact CD1-OXT 3.12Å
522	G	95.8	Very high	94.5	Very high	48 Å²	48	62.5 Å²	62.5	50%	0.495	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	3.7	179.8	0	0	0	0	0	115.3	T520 C579	T520-G522 PolarHBondContact O-N 3.36Å; G522-C579 WeakPolarHBondContact CA-O 3.29Å; G522-C579 PolarHBondContact N-O 3.15Å
523	R	96	Very high	94.5	Very high	31 Å²	31	63.6 Å²	63.6	12%	0.117	33%	0.325	C	S	.	.			trans	-69.8	138.4	175.4	-71.2	-171.5	65.3	-179.4	-6.2	111.1	S230 H232 R233 T520 Y521 L538 T578 C579	S230-R523 PolarHBondContact O-NH2 2.85Å; H232-R523 PolarHBondContact O-NH1 2.03Å; H232-R523 PolarHBondContact O-NH2 2.88Å; R233-R523 VanDerWaalsContact C-NH1 3.32Å; R233-R523 PolarHBondContact O-NH1 2.85Å; T520-R523 WeakPolarHBondContact O-CB 3Å; T520-R523 WeakPolarHBondContact O-CG 3.01Å; T520-R523 PolarHBondContact O-N 3.28Å; Y521-R523 PolarHBondContact O-N 3.38Å; R523-L538 HydrophobicContact CB-CD2 4.41Å; R523-T578 CarbonylContact O-C 3.33Å; R523-T578 VanDerWaalsContact O-CA 3.31Å; R523-T578 WeakPolarHBondContact O-CA 3.31Å; R523-C579 PolarHBondContact O-N 2.82Å; R523-C579 PolarHBondContact O-SG 3.49Å
524	Q	95.9	Very high	94.7	Very high	132 Å²	132	62.3 Å²	62.3	62%	0.617	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.5	172	-175.1	173.4	-7.9	0	0	109.9	L538 I576 S577	Q524-L538 WeakPolarHBondContact O-CD2 3.47Å; Q524-I576 HydrophobicContact CG-CG2 3.95Å; Q524-S577 VanDerWaalsContact CA-O 3.32Å; Q524-S577 WeakPolarHBondContact CA-O 3.29Å
525	C	96.5	Very high	95	Very high	9 Å²	9	54.6 Å²	54.6	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	162.5	176.5	64.5	0	0	0	0	110	C535 L538 S577	C525-C535 VanDerWaalsContact C-SG 3.58Å; C525-C535 HydrophobicContact CB-CB 3.83Å; C525-C535 WeakPolarHBondContact CB-SG 3.35Å; C525-C535 WeakPolarHBondContact SG-CA 3.47Å; C525-C535 WeakPolarHBondContact SG-CB 3.39Å; C525-C535 CovalentContact SG-SG 2.04Å; C525-C535 PolarHBondContact SG-SG 2.86Å; C525-L538 HydrophobicContact CB-CB 4.45Å; C525-L538 HydrophobicContact CB-CD2 4.05Å; C525-S577 PolarHBondContact N-O 3.43Å; C525-S577 WeakPolarHBondContact O-CB 3.35Å
526	D	95.5	Very high	95.1	Very high	63 Å²	63	57.8 Å²	57.8	34%	0.337	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-103.9	125.8	174.6	-172.2	-6.7	0	0	0	109.8	N528 N533 S534 C535	D526-N528 PolarHBondContact OD1-N 3.41Å; D526-N533 PolarHBondContact N-O 3.49Å; D526-S534 WeakPolarHBondContact O-CA 3.47Å; D526-C535 VanDerWaalsContact C-SG 3.54Å; D526-C535 PolarHBondContact O-N 3.39Å
527	E	94	Very high	95.4	Very high	79 Å²	79	61.2 Å²	61.2	37%	0.369	32%	0.319	S	S	.	.	S	Bend	trans	-75.8	-30.2	179	-179.7	169.7	-171.6	0	0	111.9	F544 R546	E527-F544 HydrophobicContact CB-CE2 4.36Å; E527-F544 HydrophobicContact CB-CZ 4.26Å; E527-F544 VanDerWaalsContact CD-CZ 3.47Å; E527-F544 HydrophobicContact CG-CE2 4.2Å; E527-F544 HydrophobicContact CG-CZ 3.76Å; E527-F544 WeakPolarHBondContact OE2-CE2 3.31Å; E527-R546 IonicContact OE1-CZ 3.54Å; E527-R546 IonicContact OE1-NE 3.56Å; E527-R546 IonicContact OE1-NH2 2.7Å; E527-R546 PolarHBondContact OE1-NH2 3.32Å; E527-R546 IonicContact OE2-CZ 3.58Å; E527-R546 IonicContact OE2-NE 2.8Å; E527-R546 PolarHBondContact OE2-NE 3.15Å; E527-R546 IonicContact OE2-NH2 3.5Å
528	N	93.9	Very high	95.5	Very high	145 Å²	145	61.1 Å²	61.1	78%	0.775	32%	0.317	S	S	*	.	S	Bend	trans	-91.9	-11.1	-175.4	-61.7	-38.1	0	0	0	112.7	D526	D526-N528 PolarHBondContact OD1-N 3.41Å
529	S	94.9	Very high	95.7	Very high	26 Å²	26	58.9 Å²	58.9	18%	0.182	31%	0.306	C	S	.	.			trans	-82.5	144.2	177.8	-178.2	0	0	0	0	111.9	G531 N533 S534	S529-G531 PolarHBondContact OG-N 3.04Å; S529-N533 VanDerWaalsContact CB-OD1 3.29Å; S529-N533 WeakPolarHBondContact CB-OD1 3.35Å; S529-N533 PolarHBondContact OG-OD1 3.48Å; S529-S534 WeakPolarHBondContact O-CB 3.45Å
530	Q	93.8	Very high	95.7	Very high	181 Å²	181	60.2 Å²	60.2	85%	0.846	31%	0.314	S	S	*	.			trans	-100.5	-1.1	168.1	-60.1	-60	-33	0	0	112.5
531	G	93.6	Very high	95.6	Very high	36 Å²	36	63 Å²	63	37%	0.371	34%	0.343	S	S	.	.	S	Bend	trans	-81.9	-163.3	-178.3	0	0	0	0	0	114	S529 N533 S534	S529-G531 PolarHBondContact OG-N 3.04Å; G531-N533 PolarHBondContact O-N 2.82Å; G531-S534 WeakPolarHBondContact O-CB 3.45Å; G531-S534 PolarHBondContact O-N 3.03Å; G531-S534 PolarHBondContact O-OG 2.86Å
532	L	94.8	Very high	95.6	Very high	64 Å²	64	60 Å²	60	34%	0.335	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.7	179.3	-61.2	174.3	0	0	0	113.1	A231 H232 S534 Y537	A231-L532 HydrophobicContact CB-CB 4.27Å; A231-L532 CarbonylContact O-C 3.41Å; H232-L532 VanDerWaalsContact NE2-CD1 3.32Å; H232-L532 WeakPolarHBondContact NE2-CD1 3.28Å; L532-S534 VanDerWaalsContact C-N 3.25Å; L532-S534 PolarHBondContact O-N 3.14Å; L532-Y537 HydrophobicContact CB-CD1 4.29Å; L532-Y537 HydrophobicContact CB-CE1 4.08Å; L532-Y537 HydrophobicContact CD2-CD1 4.11Å; L532-Y537 HydrophobicContact CD2-CD2 4.41Å; L532-Y537 HydrophobicContact CD2-CE1 3.61Å; L532-Y537 HydrophobicContact CD2-CE2 3.95Å; L532-Y537 HydrophobicContact CD2-CG 4.47Å; L532-Y537 HydrophobicContact CG-CE1 4.44Å; L532-Y537 WeakPolarHBondContact O-CD1 3.21Å
533	N	95.1	Very high	95.6	Very high	55 Å²	55	59.2 Å²	59.2	29%	0.294	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2	172	65.2	-31.9	0	0	0	113.4	A231 D526 S529 G531	A231-N533 HydrophobicContact CB-CB 3.91Å; D526-N533 PolarHBondContact N-O 3.49Å; S529-N533 VanDerWaalsContact CB-OD1 3.29Å; S529-N533 WeakPolarHBondContact CB-OD1 3.35Å; S529-N533 PolarHBondContact OG-OD1 3.48Å; G531-N533 PolarHBondContact O-N 2.82Å
534	S	96.8	Very high	95.7	Very high	10 Å²	10	60.5 Å²	60.5	7%	0.07	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-60.4	140.6	179.1	66.1	0	0	0	0	111.4	D526 S529 G531 L532 H536 Y537 L538	D526-S534 WeakPolarHBondContact O-CA 3.47Å; S529-S534 WeakPolarHBondContact O-CB 3.45Å; G531-S534 WeakPolarHBondContact O-CB 3.45Å; G531-S534 PolarHBondContact O-N 3.03Å; G531-S534 PolarHBondContact O-OG 2.86Å; L532-S534 VanDerWaalsContact C-N 3.25Å; L532-S534 PolarHBondContact O-N 3.14Å; S534-H536 PolarHBondContact O-N 2.88Å; S534-Y537 PolarHBondContact O-N 3.27Å; S534-Y537 VanDerWaalsContact OG-CB 3.29Å; S534-Y537 WeakPolarHBondContact OG-CB 3.43Å; S534-Y537 PolarHBondContact OG-N 3.03Å; S534-L538 VanDerWaalsContact O-CB 3.26Å; S534-L538 WeakPolarHBondContact O-CB 3.45Å; S534-L538 PolarHBondContact O-N 2.81Å
535	C	97	Very high	95.7	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.034	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-33.9	178	-66.5	0	0	0	0	112.8	C525 D526 C539 F544	C525-C535 VanDerWaalsContact C-SG 3.58Å; C525-C535 HydrophobicContact CB-CB 3.83Å; C525-C535 WeakPolarHBondContact CB-SG 3.35Å; C525-C535 WeakPolarHBondContact SG-CA 3.47Å; C525-C535 WeakPolarHBondContact SG-CB 3.39Å; C525-C535 CovalentContact SG-SG 2.04Å; C525-C535 PolarHBondContact SG-SG 2.86Å; D526-C535 VanDerWaalsContact C-SG 3.54Å; D526-C535 PolarHBondContact O-N 3.39Å; C535-C539 WeakPolarHBondContact O-CB 3.5Å; C535-C539 PolarHBondContact O-N 2.91Å; C535-C539 VanDerWaalsContact O-N 3.11Å; C535-C539 PolarHBondContact O-SG 2.69Å; C535-F544 HydrophobicContact CB-CB 4.3Å; C535-F544 HydrophobicContact CB-CD1 3.39Å; C535-F544 HydrophobicContact CB-CE1 3.8Å; C535-F544 HydrophobicContact CB-CG 3.89Å
536	H	95.9	Very high	95.7	Very high	155 Å²	155	65.9 Å²	65.9	72%	0.718	35%	0.345	S	S	*	.	H	α-helix	trans	-61.9	-51	175.9	177.7	-107.3	0	0	0	112.1	S534 G541	S534-H536 PolarHBondContact O-N 2.88Å; H536-G541 PolarHBondContact O-N 2.9Å
537	Y	96.3	Very high	95.6	Very high	75 Å²	75	66.9 Å²	66.9	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-72.8	-49.5	-178.8	173.2	-90.4	0	0	0	112.4	R233 L532 S534 C540	R233-Y537 HydrophobicContact CG-CD1 4.42Å; R233-Y537 HydrophobicContact CG-CE1 3.8Å; R233-Y537 PolarHBondContact NE-O 3.45Å; R233-Y537 PolarHBondContact NH2-O 2.76Å; L532-Y537 HydrophobicContact CB-CD1 4.29Å; L532-Y537 HydrophobicContact CB-CE1 4.08Å; L532-Y537 HydrophobicContact CD2-CD1 4.11Å; L532-Y537 HydrophobicContact CD2-CD2 4.41Å; L532-Y537 HydrophobicContact CD2-CE1 3.61Å; L532-Y537 HydrophobicContact CD2-CE2 3.95Å; L532-Y537 HydrophobicContact CD2-CG 4.47Å; L532-Y537 HydrophobicContact CG-CE1 4.44Å; L532-Y537 WeakPolarHBondContact O-CD1 3.21Å; S534-Y537 PolarHBondContact O-N 3.27Å; S534-Y537 VanDerWaalsContact OG-CB 3.29Å; S534-Y537 WeakPolarHBondContact OG-CB 3.43Å; S534-Y537 PolarHBondContact OG-N 3.03Å; Y537-C540 PolarHBondContact O-N 3.31Å
538	L	97.4	Very high	95.6	Very high	1 Å²	1	68 Å²	68	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-70.3	-37.4	-171.1	-172.4	59.4	0	0	0	111.8	R233 T520 R523 Q524 C525 S534 C540	R233-L538 HydrophobicContact CG-CD1 4.41Å; T520-L538 VanDerWaalsContact CB-O 3.23Å; T520-L538 WeakPolarHBondContact CB-O 3.42Å; T520-L538 HydrophobicContact CG2-CD1 4.39Å; T520-L538 WeakPolarHBondContact CG2-O 3.43Å; T520-L538 PolarHBondContact OG1-O 3.09Å; R523-L538 HydrophobicContact CB-CD2 4.41Å; Q524-L538 WeakPolarHBondContact O-CD2 3.47Å; C525-L538 HydrophobicContact CB-CB 4.45Å; C525-L538 HydrophobicContact CB-CD2 4.05Å; S534-L538 VanDerWaalsContact O-CB 3.26Å; S534-L538 WeakPolarHBondContact O-CB 3.45Å; S534-L538 PolarHBondContact O-N 2.81Å; L538-C540 PolarHBondContact O-N 2.99Å
539	C	97.5	Very high	95.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	6	179.1	-47.6	0	0	0	0	113.2	C535 G541 R542 G543 C579	C535-C539 WeakPolarHBondContact O-CB 3.5Å; C535-C539 PolarHBondContact O-N 2.91Å; C535-C539 VanDerWaalsContact O-N 3.11Å; C535-C539 PolarHBondContact O-SG 2.69Å; C539-G541 PolarHBondContact O-N 2.89Å; C539-R542 WeakPolarHBondContact O-CB 3.36Å; C539-R542 WeakPolarHBondContact O-CG 3.42Å; C539-R542 PolarHBondContact O-N 3.38Å; C539-G543 WeakPolarHBondContact CB-O 3.02Å; C539-C579 WeakPolarHBondContact CA-SG 3.45Å; C539-C579 HydrophobicContact CB-CB 3.52Å; C539-C579 WeakPolarHBondContact CB-SG 3.41Å; C539-C579 PolarHBondContact N-SG 2.96Å; C539-C579 WeakPolarHBondContact SG-CA 3.16Å; C539-C579 WeakPolarHBondContact SG-CB 3.43Å; C539-C579 CovalentContact SG-SG 2.04Å; C539-C579 PolarHBondContact SG-SG 3.12Å
540	C	96.4	Very high	95.5	Very high	33 Å²	33	68.3 Å²	68.3	22%	0.223	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	39.6	177.2	-56.9	0	0	0	0	113.4	C509 Y537 L538 R542	C509-C540 VanDerWaalsContact CA-SG 3.52Å; C509-C540 HydrophobicContact CB-CB 3.7Å; C509-C540 WeakPolarHBondContact CB-SG 3.24Å; C509-C540 WeakPolarHBondContact SG-CB 3.43Å; C509-C540 CovalentContact SG-SG 2.03Å; C509-C540 PolarHBondContact SG-SG 2.83Å; Y537-C540 PolarHBondContact O-N 3.31Å; L538-C540 PolarHBondContact O-N 2.99Å; C540-R542 PolarHBondContact O-N 2.8Å
541	G	95.1	Very high	95.4	Very high	59 Å²	59	65 Å²	65	61%	0.608	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	2.3	-178.7	0	0	0	0	0	115.9	H536 C539 G543	H536-G541 PolarHBondContact O-N 2.9Å; C539-G541 PolarHBondContact O-N 2.89Å; G541-G543 PolarHBondContact O-N 2.91Å
542	R	95.8	Very high	95.5	Very high	54 Å²	54	69.8 Å²	69.8	20%	0.204	36%	0.355	C	S	.	.	S	Bend	trans	-73.1	-5.6	177.5	-59.5	-166	-58.1	-109.6	-8.9	114.2	C509 T520 Y521 C539 C540 N580	C509-R542 PolarHBondContact O-NH1 2.99Å; T520-R542 PolarHBondContact OG1-NH2 3.23Å; Y521-R542 VanDerWaalsContact CE1-NE 3.28Å; Y521-R542 PolarHBondContact OH-NH1 3.26Å; C539-R542 WeakPolarHBondContact O-CB 3.36Å; C539-R542 WeakPolarHBondContact O-CG 3.42Å; C539-R542 PolarHBondContact O-N 3.38Å; C540-R542 PolarHBondContact O-N 2.8Å; R542-N580 HydrophobicContact CB-CB 4.39Å; R542-N580 PolarHBondContact NE-O 3.38Å; R542-N580 PolarHBondContact NH2-O 2.96Å; R542-N580 WeakPolarHBondContact O-CB 2.95Å; R542-N580 PolarHBondContact O-ND2 3.49Å; R542-N580 VanDerWaalsContact O-ND2 3.09Å
543	G	95.7	Very high	95.4	Very high	30 Å²	30	70.4 Å²	70.4	31%	0.309	36%	0.356	S	S	.	.			trans	74.5	-174.7	-169.9	0	0	0	0	0	112.8	C539 G541 N580	C539-G543 WeakPolarHBondContact CB-O 3.02Å; G541-G543 PolarHBondContact O-N 2.91Å; G543-N580 PolarHBondContact O-N 3.39Å; G543-N580 VanDerWaalsContact O-N 3.11Å
544	F	97.1	Very high	95.4	Very high	59 Å²	59	75.5 Å²	75.5	26%	0.259	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155	-176.8	60	-83.5	0	0	0	110.9	E527 C535 R546 T578 N580	E527-F544 HydrophobicContact CB-CE2 4.36Å; E527-F544 HydrophobicContact CB-CZ 4.26Å; E527-F544 VanDerWaalsContact CD-CZ 3.47Å; E527-F544 HydrophobicContact CG-CE2 4.2Å; E527-F544 HydrophobicContact CG-CZ 3.76Å; E527-F544 WeakPolarHBondContact OE2-CE2 3.31Å; C535-F544 HydrophobicContact CB-CB 4.3Å; C535-F544 HydrophobicContact CB-CD1 3.39Å; C535-F544 HydrophobicContact CB-CE1 3.8Å; C535-F544 HydrophobicContact CB-CG 3.89Å; F544-R546 HydrophobicContact CD2-CG 4.19Å; F544-R546 HydrophobicContact CE2-CG 3.97Å; F544-T578 CarbonylContact C-O 3.57Å; F544-T578 WeakPolarHBondContact CA-O 3.01Å; F544-T578 VanDerWaalsContact CB-O 3.29Å; F544-T578 WeakPolarHBondContact CB-O 3.29Å; F544-N580 PolarHBondContact N-ND2 3.37Å
545	K	96.7	Very high	95.4	Very high	102 Å²	102	75.9 Å²	75.9	44%	0.443	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.5	171.6	66.6	-174.7	-179.6	-175.6	0	110	S577 T578 N580	K545-S577 WeakPolarHBondContact O-CA 3.46Å; K545-T578 WeakPolarHBondContact CE-OG1 3.45Å; K545-T578 WeakPolarHBondContact CG-OG1 3.47Å; K545-T578 PolarHBondContact N-O 3Å; K545-T578 PolarHBondContact O-N 2.93Å; K545-N580 PolarHBondContact N-OD1 3.47Å
546	R	96.2	Very high	95.3	Very high	151 Å²	151	80.2 Å²	80.2	57%	0.57	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.1	174.4	-58.6	-171.3	-162.8	99.4	0.1	109.8	E527 F544 V575	E527-R546 IonicContact OE1-CZ 3.54Å; E527-R546 IonicContact OE1-NE 3.56Å; E527-R546 IonicContact OE1-NH2 2.7Å; E527-R546 PolarHBondContact OE1-NH2 3.32Å; E527-R546 IonicContact OE2-CZ 3.58Å; E527-R546 IonicContact OE2-NE 2.8Å; E527-R546 PolarHBondContact OE2-NE 3.15Å; E527-R546 IonicContact OE2-NH2 3.5Å; F544-R546 HydrophobicContact CD2-CG 4.19Å; F544-R546 HydrophobicContact CE2-CG 3.97Å; R546-V575 HydrophobicContact CB-CG1 4.03Å; R546-V575 HydrophobicContact CG-CG1 4.31Å
547	Q	94	Very high	95.3	Very high	84 Å²	84	76 Å²	76	39%	0.393	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125	172.1	-66.6	-175.8	-48.8	0	0	109.2	F549 I576	Q547-F549 HydrophobicContact CB-CD2 4.24Å; Q547-F549 HydrophobicContact CB-CE2 3.39Å; Q547-F549 HydrophobicContact CB-CZ 3.76Å; Q547-I576 PolarHBondContact N-O 3.17Å; Q547-I576 PolarHBondContact O-N 2.94Å
548	T	93.4	Very high	95.2	Very high	103 Å²	103	80 Å²	80	63%	0.632	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.1	177.7	49.7	0	0	0	0	110	V574 V575	T548-V574 WeakPolarHBondContact CA-O 3.4Å; T548-V575 HydrophobicContact CG2-CG2 4.1Å
549	F	92.2	Very high	95	Very high	98 Å²	98	86 Å²	86	43%	0.43	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.5	176.2	-60.9	-85.3	0	0	0	110.2	Q547 T573 V574 I576	Q547-F549 HydrophobicContact CB-CD2 4.24Å; Q547-F549 HydrophobicContact CB-CE2 3.39Å; Q547-F549 HydrophobicContact CB-CZ 3.76Å; F549-T573 CarbonylContact O-C 3.55Å; F549-T573 WeakPolarHBondContact O-CA 2.98Å; F549-V574 PolarHBondContact N-O 3.07Å; F549-V574 PolarHBondContact O-N 2.82Å; F549-I576 HydrophobicContact CD2-CB 4.39Å; F549-I576 HydrophobicContact CD2-CD1 3.66Å; F549-I576 HydrophobicContact CD2-CG1 3.96Å; F549-I576 HydrophobicContact CE2-CB 4.23Å; F549-I576 HydrophobicContact CE2-CD1 3.84Å; F549-I576 HydrophobicContact CE2-CG1 4.22Å
550	V	94.1	Very high	94.7	Very high	79 Å²	79	90.9 Å²	90.9	48%	0.479	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	101	169	-177.6	0	0	0	0	107.7	R571 K572	V550-R571 HydrophobicContact CG1-CB 3.78Å; V550-R571 HydrophobicContact CG1-CG 4.25Å; V550-K572 CarbonylContact C-O 3.58Å; V550-K572 WeakPolarHBondContact CA-O 3.41Å
551	Q	92.5	Very high	94	Very high	112 Å²	112	100.8 Å²	100.8	52%	0.523	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	138.9	177.2	-168.7	170	18.7	0	0	109.9	K572 V574	Q551-K572 PolarHBondContact N-O 3.03Å; Q551-K572 PolarHBondContact O-N 3.29Å; Q551-V574 HydrophobicContact CB-CG2 4.21Å
552	Q	95	Very high	93.2	Very high	136 Å²	136	101.6 Å²	101.6	64%	0.636	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.2	169.2	-73.3	-177.8	-12.2	0	0	109.1	T569 C570	Q552-T569 HydrophobicContact CB-CG2 3.97Å; Q552-T569 HydrophobicContact CG-CG2 4.06Å; Q552-C570 WeakPolarHBondContact CA-O 3.41Å
553	E	94.4	Very high	92.7	Very high	77 Å²	77	102.7 Å²	102.7	36%	0.36	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.3	175.3	67.6	-176.2	-173.4	0	0	110.7	C570 K572	E553-C570 HydrophobicContact CG-CB 4.34Å; E553-C570 PolarHBondContact N-O 2.76Å; E553-C570 PolarHBondContact O-N 3.43Å; E553-K572 WeakPolarHBondContact OE1-CD 3Å; E553-K572 WeakPolarHBondContact OE2-CD 3.31Å; E553-K572 IonicContact OE2-NZ 2.77Å
554	R	95	Very high	92.6	Very high	162 Å²	162	107.1 Å²	107.1	61%	0.611	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.1	172.3	-63.6	-179.7	77.4	137.6	0.6	107.9	C567	R554-C567 HydrophobicContact CB-CB 3.82Å; R554-C567 HydrophobicContact CG-CB 4.41Å
555	C	95.7	Very high	92.5	Very high	19 Å²	19	107.8 Å²	107.8	13%	0.128	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	172.6	-177.5	65.5	0	0	0	0	110.4	C557 C567 K568 C570	C555-C557 PolarHBondContact O-N 3.5Å; C555-C567 CarbonylContact O-C 3.58Å; C555-C567 WeakPolarHBondContact O-CA 3.31Å; C555-C567 WeakPolarHBondContact O-CB 3.07Å; C555-K568 PolarHBondContact N-O 2.74Å; C555-K568 PolarHBondContact O-N 3.19Å; C555-K568 PolarHBondContact SG-O 3.12Å; C555-K568 VanDerWaalsContact SG-O 3.39Å; C555-C570 HydrophobicContact CB-CB 3.58Å; C555-C570 WeakPolarHBondContact CB-SG 2.98Å; C555-C570 WeakPolarHBondContact SG-CB 3.01Å; C555-C570 PolarHBondContact SG-N 3.08Å; C555-C570 CovalentContact SG-SG 2Å; C555-C570 PolarHBondContact SG-SG 2.74Å
556	D	95.3	Very high	92.4	Very high	95 Å²	95	106 Å²	106	51%	0.508	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.3	38.9	179.4	-66.9	-12.5	0	0	0	112.9	K558 K568	D556-K558 PolarHBondContact O-N 3.05Å; D556-K568 HydrophobicContact CB-CB 4.35Å; D556-K568 HydrophobicContact CB-CD 3.94Å; D556-K568 HydrophobicContact CB-CG 4.07Å; D556-K568 WeakPolarHBondContact OD2-CD 3.16Å; D556-K568 WeakPolarHBondContact OD2-CE 3.45Å; D556-K568 IonicContact OD2-NZ 2.74Å; D556-K568 PolarHBondContact OD2-NZ 2.97Å
557	C	95.6	Very high	92.4	Very high	68 Å²	68	100.1 Å²	100.1	46%	0.459	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.9	-176	-64.4	0	0	0	0	110.7	C555 V565 V566 C567	C555-C557 PolarHBondContact O-N 3.5Å; C557-V565 HydrophobicContact CB-CG1 3.83Å; C557-V566 CarbonylContact C-O 3.57Å; C557-V566 WeakPolarHBondContact CA-O 3.46Å; C557-C567 HydrophobicContact CB-CB 4.07Å; C557-C567 WeakPolarHBondContact CB-SG 3.4Å; C557-C567 WeakPolarHBondContact SG-CB 3.48Å; C557-C567 CovalentContact SG-SG 2.04Å; C557-C567 PolarHBondContact SG-SG 2.96Å
558	K	93.8	Very high	92.5	Very high	159 Å²	159	102.1 Å²	102.1	69%	0.691	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	131	173.4	-64.9	-172.7	179	-172.8	0	109.9	D556 Q560 V566	D556-K558 PolarHBondContact O-N 3.05Å; K558-Q560 PolarHBondContact O-N 3.24Å; K558-V566 PolarHBondContact N-O 3.14Å; K558-V566 PolarHBondContact O-N 2.86Å
559	F	93.7	Very high	92.7	Very high	125 Å²	125	102 Å²	102	55%	0.548	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.6	170.1	-172.4	-105.5	0	0	0	109.7	V565	F559-V565 HydrophobicContact CD2-CG2 3.89Å
560	Q	90.8	Very high	92.9	Very high	104 Å²	104	99.4 Å²	99.4	49%	0.486	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.7	169.5	-169.5	175.8	-6.9	0	0	107.8	K558 C562 C563 K564	K558-Q560 PolarHBondContact O-N 3.24Å; Q560-C562 CarbonylContact O-C 3.58Å; Q560-C562 PolarHBondContact O-N 2.75Å; Q560-C563 PolarHBondContact O-N 2.03Å; Q560-K564 HydrophobicContact CB-CB 4.46Å; Q560-K564 WeakPolarHBondContact CB-O 3.41Å; Q560-K564 PolarHBondContact N-O 2.81Å; Q560-K564 PolarHBondContact O-N 3.33Å; Q560-K564 VanDerWaalsContact O-N 3.15Å
561	W	82.5	Confident	92.9	Very high	240 Å²	240	104.7 Å²	104.7	91%	0.909	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-12.1	-173.3	-86.4	90.1	0	0	0	115.7	C563	W561-C563 PolarHBondContact O-N 2.88Å
562	C	78.3	Confident	93	Very high	76 Å²	76	104.2 Å²	104.2	51%	0.514	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	23.4	168.5	70.1	0	0	0	0	114.4	R112 Q560	R112-C562 PolarHBondContact NH2-O 2.87Å; Q560-C562 CarbonylContact O-C 3.58Å; Q560-C562 PolarHBondContact O-N 2.75Å
563	C	85.3	Confident	92.9	Very high	77 Å²	77	102.5 Å²	102.5	52%	0.52	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	33.8	174.4	-39.3	0	0	0	0	116.4	R112 Q560 W561	R112-C563 VanDerWaalsContact NH1-CB 3.26Å; Q560-C563 PolarHBondContact O-N 2.03Å; W561-C563 PolarHBondContact O-N 2.88Å
564	K	93.1	Very high	92.8	Very high	124 Å²	124	100.7 Å²	100.7	54%	0.539	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.2	178.7	-173.9	178.7	-178.1	178.3	0	111.1	Q560 V566	Q560-K564 HydrophobicContact CB-CB 4.46Å; Q560-K564 WeakPolarHBondContact CB-O 3.41Å; Q560-K564 PolarHBondContact N-O 2.81Å; Q560-K564 PolarHBondContact O-N 3.33Å; Q560-K564 VanDerWaalsContact O-N 3.15Å; K564-V566 HydrophobicContact CD-CG2 3.94Å; K564-V566 HydrophobicContact CG-CG2 3.98Å
565	V	94.3	Very high	92.7	Very high	72 Å²	72	96.8 Å²	96.8	44%	0.436	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112	166.6	-176.5	0	0	0	0	108.5	C557 F559	C557-V565 HydrophobicContact CB-CG1 3.83Å; F559-V565 HydrophobicContact CD2-CG2 3.89Å
566	V	94.8	Very high	92.7	Very high	66 Å²	66	98 Å²	98	40%	0.4	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.8	174.3	-177.6	0	0	0	0	108.3	C557 K558 K564	C557-V566 CarbonylContact C-O 3.57Å; C557-V566 WeakPolarHBondContact CA-O 3.46Å; K558-V566 PolarHBondContact N-O 3.14Å; K558-V566 PolarHBondContact O-N 2.86Å; K564-V566 HydrophobicContact CD-CG2 3.94Å; K564-V566 HydrophobicContact CG-CG2 3.98Å
567	C	96.7	Very high	92.8	Very high	26 Å²	26	93.9 Å²	93.9	18%	0.176	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.6	174.3	-51.1	0	0	0	0	109.9	R554 C555 C557	R554-C567 HydrophobicContact CB-CB 3.82Å; R554-C567 HydrophobicContact CG-CB 4.41Å; C555-C567 CarbonylContact O-C 3.58Å; C555-C567 WeakPolarHBondContact O-CA 3.31Å; C555-C567 WeakPolarHBondContact O-CB 3.07Å; C557-C567 HydrophobicContact CB-CB 4.07Å; C557-C567 WeakPolarHBondContact CB-SG 3.4Å; C557-C567 WeakPolarHBondContact SG-CB 3.48Å; C557-C567 CovalentContact SG-SG 2.04Å; C557-C567 PolarHBondContact SG-SG 2.96Å
568	K	96.8	Very high	92.8	Very high	126 Å²	126	91.2 Å²	91.2	55%	0.548	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	158.4	161.6	-59.4	-178.2	-162.8	157.4	0	109.2	C555 D556	C555-K568 PolarHBondContact N-O 2.74Å; C555-K568 PolarHBondContact O-N 3.19Å; C555-K568 PolarHBondContact SG-O 3.12Å; C555-K568 VanDerWaalsContact SG-O 3.39Å; D556-K568 HydrophobicContact CB-CB 4.35Å; D556-K568 HydrophobicContact CB-CD 3.94Å; D556-K568 HydrophobicContact CB-CG 4.07Å; D556-K568 WeakPolarHBondContact OD2-CD 3.16Å; D556-K568 WeakPolarHBondContact OD2-CE 3.45Å; D556-K568 IonicContact OD2-NZ 2.74Å; D556-K568 PolarHBondContact OD2-NZ 2.97Å
569	T	96.2	Very high	93	Very high	101 Å²	101	83.7 Å²	83.7	62%	0.62	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	108	168.7	-54.9	0	0	0	0	108.5	Q552	Q552-T569 HydrophobicContact CB-CG2 3.97Å; Q552-T569 HydrophobicContact CG-CG2 4.06Å
570	C	96.5	Very high	93.1	Very high	43 Å²	43	82.3 Å²	82.3	29%	0.291	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	153.3	173.8	-76.1	0	0	0	0	110.9	Q552 E553 C555	Q552-C570 WeakPolarHBondContact CA-O 3.41Å; E553-C570 HydrophobicContact CG-CB 4.34Å; E553-C570 PolarHBondContact N-O 2.76Å; E553-C570 PolarHBondContact O-N 3.43Å; C555-C570 HydrophobicContact CB-CB 3.58Å; C555-C570 WeakPolarHBondContact CB-SG 2.98Å; C555-C570 WeakPolarHBondContact SG-CB 3.01Å; C555-C570 PolarHBondContact SG-N 3.08Å; C555-C570 CovalentContact SG-SG 2Å; C555-C570 PolarHBondContact SG-SG 2.74Å
571	R	95.7	Very high	93.3	Very high	191 Å²	191	81.2 Å²	81.2	72%	0.721	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.5	170.7	-62.9	-177.6	84.4	168.7	3.5	108	V550	V550-R571 HydrophobicContact CG1-CB 3.78Å; V550-R571 HydrophobicContact CG1-CG 4.25Å
572	K	94.1	Very high	93.8	Very high	102 Å²	102	72.8 Å²	72.8	44%	0.443	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.4	177.6	-176.8	174.9	-179.3	176.1	0	109.4	V550 Q551 E553 V574	V550-K572 CarbonylContact C-O 3.58Å; V550-K572 WeakPolarHBondContact CA-O 3.41Å; Q551-K572 PolarHBondContact N-O 3.03Å; Q551-K572 PolarHBondContact O-N 3.29Å; E553-K572 WeakPolarHBondContact OE1-CD 3Å; E553-K572 WeakPolarHBondContact OE2-CD 3.31Å; E553-K572 IonicContact OE2-NZ 2.77Å; K572-V574 HydrophobicContact CD-CG2 4.33Å; K572-V574 HydrophobicContact CG-CG2 4.09Å
573	T	92.8	Very high	94.7	Very high	99 Å²	99	72.7 Å²	72.7	61%	0.607	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	116.2	172.1	-55.8	0	0	0	0	108.6	F549	F549-T573 CarbonylContact O-C 3.55Å; F549-T573 WeakPolarHBondContact O-CA 2.98Å
574	V	92.4	Very high	95.2	Very high	40 Å²	40	72.4 Å²	72.4	24%	0.242	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130	178.5	-178.3	0	0	0	0	108.9	T548 F549 Q551 K572 I576	T548-V574 WeakPolarHBondContact CA-O 3.4Å; F549-V574 PolarHBondContact N-O 3.07Å; F549-V574 PolarHBondContact O-N 2.82Å; Q551-V574 HydrophobicContact CB-CG2 4.21Å; K572-V574 HydrophobicContact CD-CG2 4.33Å; K572-V574 HydrophobicContact CG-CG2 4.09Å; V574-I576 HydrophobicContact CG1-CG1 4.15Å
575	V	92.6	Very high	95.4	Very high	80 Å²	80	69.2 Å²	69.2	49%	0.485	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.5	172.4	-174.2	0	0	0	0	108.1	R546 T548	R546-V575 HydrophobicContact CB-CG1 4.03Å; R546-V575 HydrophobicContact CG-CG1 4.31Å; T548-V575 HydrophobicContact CG2-CG2 4.1Å
576	I	94.8	Very high	95.5	Very high	43 Å²	43	69 Å²	69	22%	0.221	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118	175	-56.3	-176.9	0	0	0	108.2	Q524 Q547 F549 V574 T578	Q524-I576 HydrophobicContact CG-CG2 3.95Å; Q547-I576 PolarHBondContact N-O 3.17Å; Q547-I576 PolarHBondContact O-N 2.94Å; F549-I576 HydrophobicContact CD2-CB 4.39Å; F549-I576 HydrophobicContact CD2-CD1 3.66Å; F549-I576 HydrophobicContact CD2-CG1 3.96Å; F549-I576 HydrophobicContact CE2-CB 4.23Å; F549-I576 HydrophobicContact CE2-CD1 3.84Å; F549-I576 HydrophobicContact CE2-CG1 4.22Å; V574-I576 HydrophobicContact CG1-CG1 4.15Å; I576-T578 HydrophobicContact CG2-CG2 3.96Å
577	S	97.1	Very high	95.5	Very high	9 Å²	9	69.2 Å²	69.2	6%	0.063	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.7	173.2	-67.3	0	0	0	0	109.5	Q524 C525 K545	Q524-S577 VanDerWaalsContact CA-O 3.32Å; Q524-S577 WeakPolarHBondContact CA-O 3.29Å; C525-S577 PolarHBondContact N-O 3.43Å; C525-S577 WeakPolarHBondContact O-CB 3.35Å; K545-S577 WeakPolarHBondContact O-CA 3.46Å
578	T	97.2	Very high	95.4	Very high	13 Å²	13	72.5 Å²	72.5	8%	0.08	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.6	-179.8	52.9	0	0	0	0	111.2	R523 F544 K545 I576 N580	R523-T578 CarbonylContact O-C 3.33Å; R523-T578 VanDerWaalsContact O-CA 3.31Å; R523-T578 WeakPolarHBondContact O-CA 3.31Å; F544-T578 CarbonylContact C-O 3.57Å; F544-T578 WeakPolarHBondContact CA-O 3.01Å; F544-T578 VanDerWaalsContact CB-O 3.29Å; F544-T578 WeakPolarHBondContact CB-O 3.29Å; K545-T578 WeakPolarHBondContact CE-OG1 3.45Å; K545-T578 WeakPolarHBondContact CG-OG1 3.47Å; K545-T578 PolarHBondContact N-O 3Å; K545-T578 PolarHBondContact O-N 2.93Å; I576-T578 HydrophobicContact CG2-CG2 3.96Å; T578-N580 PolarHBondContact O-N 3.48Å
579	C	97.6	Very high	95.3	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.007	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.7	179.6	-63.5	0	0	0	0	112.3	T520 G522 R523 C539	T520-C579 VanDerWaalsContact O-CB 3.27Å; T520-C579 WeakPolarHBondContact O-CB 3.21Å; G522-C579 WeakPolarHBondContact CA-O 3.29Å; G522-C579 PolarHBondContact N-O 3.15Å; R523-C579 PolarHBondContact O-N 2.82Å; R523-C579 PolarHBondContact O-SG 3.49Å; C539-C579 WeakPolarHBondContact CA-SG 3.45Å; C539-C579 HydrophobicContact CB-CB 3.52Å; C539-C579 WeakPolarHBondContact CB-SG 3.41Å; C539-C579 PolarHBondContact N-SG 2.96Å; C539-C579 WeakPolarHBondContact SG-CA 3.16Å; C539-C579 WeakPolarHBondContact SG-CB 3.43Å; C539-C579 CovalentContact SG-SG 2.04Å; C539-C579 PolarHBondContact SG-SG 3.12Å
580	N	96.3	Very high	95.2	Very high	95 Å²	95	65.1 Å²	65.1	51%	0.508	33%	0.333	S	S	.	.			trans	-64.7	0	174.4	-69.2	-22.6	0	0	0	112.7	Y521 R542 G543 F544 K545 T578	Y521-N580 WeakPolarHBondContact CD1-O 3.34Å; Y521-N580 WeakPolarHBondContact CD1-OXT 3.12Å; R542-N580 HydrophobicContact CB-CB 4.39Å; R542-N580 PolarHBondContact NE-O 3.38Å; R542-N580 PolarHBondContact NH2-O 2.96Å; R542-N580 WeakPolarHBondContact O-CB 2.95Å; R542-N580 PolarHBondContact O-ND2 3.49Å; R542-N580 VanDerWaalsContact O-ND2 3.09Å; G543-N580 PolarHBondContact O-N 3.39Å; G543-N580 VanDerWaalsContact O-N 3.11Å; F544-N580 PolarHBondContact N-ND2 3.37Å; K545-N580 PolarHBondContact N-OD1 3.47Å; T578-N580 PolarHBondContact O-N 3.48Å

Retrieved 580 of 580 residues in 524.5 ms (Link to these results)

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