A0A3Q0KTU2_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KTU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 737 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	62.7	Low	74.1	Confident	191 Å²	191	124.3 Å²	124.3	94%	0.941	61%	0.605	S	S	*	*				0	-57.9	0	-80.9	-96.2	86.1	0	0	111.8	I3 F4 L5	M1-I3 PolarHBondContact O-N 2.98Å; M1-F4 WeakPolarHBondContact O-CB 3.26Å; M1-F4 PolarHBondContact O-N 2.88Å; M1-F4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.06Å
2	F	67	Low	73.8	Confident	179 Å²	179	119.6 Å²	119.6	79%	0.785	58%	0.583	S	S	*	*	H	α-helix	trans	-56.4	-44.9	-178.5	-126.9	-90.3	0	0	0	114.2	F4 L5 C6	F2-F4 VanDerWaalsContact C-N 3.29Å; F2-F4 PolarHBondContact O-N 2.93Å; F2-L5 WeakPolarHBondContact O-CB 3.29Å; F2-L5 PolarHBondContact O-N 3.33Å; F2-C6 PolarHBondContact O-N 2.94Å; F2-C6 PolarHBondContact O-SG 2.63Å; F2-C6 VanDerWaalsContact O-SG 3.4Å
3	I	78	Confident	73.4	Confident	130 Å²	130	119.5 Å²	119.5	67%	0.667	58%	0.581	S	S	*	*	H	α-helix	trans	-61.3	-37.8	178	-61.7	170	0	0	0	111.9	M1 C6 I7	M1-I3 PolarHBondContact O-N 2.98Å; I3-C6 PolarHBondContact O-N 3.02Å; I3-I7 HydrophobicContact CG2-CD1 3.92Å; I3-I7 WeakPolarHBondContact O-CG1 3.4Å; I3-I7 PolarHBondContact O-N 2.94Å
4	F	67.7	Low	72.5	Confident	158 Å²	158	115.6 Å²	115.6	69%	0.693	57%	0.572	S	S	*	*	H	α-helix	trans	-68.6	-37.3	-179.8	-127.4	-85.9	0	0	0	111.7	M1 F2 Y8	M1-F4 WeakPolarHBondContact O-CB 3.26Å; M1-F4 PolarHBondContact O-N 2.88Å; M1-F4 VanDerWaalsContact O-N 3.12Å; F2-F4 VanDerWaalsContact C-N 3.29Å; F2-F4 PolarHBondContact O-N 2.93Å; F4-Y8 WeakPolarHBondContact O-CB 3.42Å; F4-Y8 PolarHBondContact O-N 2.73Å
5	L	73.3	Confident	71.2	Confident	104 Å²	104	111.6 Å²	111.6	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-65.2	-42.1	173.3	-107.1	151.7	0	0	0	111.5	M1 F2 Y8 I9	M1-L5 PolarHBondContact O-N 3.06Å; F2-L5 WeakPolarHBondContact O-CB 3.29Å; F2-L5 PolarHBondContact O-N 3.33Å; L5-Y8 PolarHBondContact O-N 2.81Å; L5-I9 VanDerWaalsContact O-CG1 3.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.21Å; L5-I9 PolarHBondContact O-N 3.19Å
6	C	81.6	Confident	70	Confident	62 Å²	62	110.3 Å²	110.3	42%	0.419	55%	0.554	S	S	.	*	H	α-helix	trans	-63.1	-44.8	175.5	-65.8	0	0	0	0	112.3	F2 I3 Y8 I9 I10	F2-C6 PolarHBondContact O-N 2.94Å; F2-C6 PolarHBondContact O-SG 2.63Å; F2-C6 VanDerWaalsContact O-SG 3.4Å; I3-C6 PolarHBondContact O-N 3.02Å; C6-Y8 VanDerWaalsContact C-N 3.33Å; C6-Y8 PolarHBondContact O-N 3.14Å; C6-I9 PolarHBondContact O-N 2.81Å; C6-I10 VanDerWaalsContact O-CG1 3.28Å; C6-I10 WeakPolarHBondContact O-CG1 3.4Å; C6-I10 PolarHBondContact O-N 2.75Å
7	I	77.7	Confident	68.9	Low	85 Å²	85	110.8 Å²	110.8	44%	0.436	55%	0.554	S	S	.	*	H	α-helix	trans	-63.2	-41	177.4	-66.4	166.8	0	0	0	110.7	I3 I9 I10 I11	I3-I7 HydrophobicContact CG2-CD1 3.92Å; I3-I7 WeakPolarHBondContact O-CG1 3.4Å; I3-I7 PolarHBondContact O-N 2.94Å; I7-I9 PolarHBondContact O-N 3.25Å; I7-I10 PolarHBondContact O-N 2.75Å; I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 VanDerWaalsContact O-CG1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.33Å; I7-I11 PolarHBondContact O-N 3.2Å
8	Y	80.5	Confident	67.7	Low	151 Å²	151	111.9 Å²	111.9	59%	0.592	56%	0.557	S	S	*	*	H	α-helix	trans	-63.4	-41.2	178	-169.9	-104.1	0	0	0	112.4	F4 L5 C6 I11 I12	F4-Y8 WeakPolarHBondContact O-CB 3.42Å; F4-Y8 PolarHBondContact O-N 2.73Å; L5-Y8 PolarHBondContact O-N 2.81Å; C6-Y8 VanDerWaalsContact C-N 3.33Å; C6-Y8 PolarHBondContact O-N 3.14Å; Y8-I11 PolarHBondContact O-N 2.87Å; Y8-I12 HydrophobicContact CD1-CD1 3.77Å; Y8-I12 HydrophobicContact CD1-CG1 4.49Å; Y8-I12 HydrophobicContact CE1-CD1 3.24Å; Y8-I12 HydrophobicContact CE1-CG1 4.21Å; Y8-I12 WeakPolarHBondContact O-CG1 3.44Å; Y8-I12 PolarHBondContact O-N 2.81Å
9	I	78.6	Confident	66.4	Low	90 Å²	90	112.5 Å²	112.5	46%	0.462	56%	0.562	S	S	.	*	H	α-helix	trans	-63.6	-42.4	175	-67.5	167	0	0	0	110.9	L5 C6 I7 I11 I12 Q13	L5-I9 VanDerWaalsContact O-CG1 3.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.21Å; L5-I9 PolarHBondContact O-N 3.19Å; C6-I9 PolarHBondContact O-N 2.81Å; I7-I9 PolarHBondContact O-N 3.25Å; I9-I11 PolarHBondContact O-N 2.94Å; I9-I12 PolarHBondContact O-N 2.98Å; I9-Q13 WeakPolarHBondContact O-CB 3.31Å; I9-Q13 PolarHBondContact O-N 2.87Å
10	I	77.2	Confident	65.1	Low	113 Å²	113	112.2 Å²	112.2	58%	0.579	56%	0.562	S	S	*	*	H	α-helix	trans	-62.8	-41.5	177.7	-66.8	164.4	0	0	0	111.3	C6 I7 Q13 S14	C6-I10 VanDerWaalsContact O-CG1 3.28Å; C6-I10 WeakPolarHBondContact O-CG1 3.4Å; C6-I10 PolarHBondContact O-N 2.75Å; I7-I10 PolarHBondContact O-N 2.75Å; I10-Q13 PolarHBondContact O-N 2.93Å; I10-S14 WeakPolarHBondContact O-CB 3.44Å; I10-S14 PolarHBondContact O-N 3.26Å
11	I	71.2	Confident	63.7	Low	104 Å²	104	112.1 Å²	112.1	53%	0.533	56%	0.562	S	S	.	*	H	α-helix	trans	-66.4	-41.3	177.8	-66.7	167.6	0	0	0	111.1	I7 Y8 I9 S15	I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 VanDerWaalsContact O-CG1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.33Å; I7-I11 PolarHBondContact O-N 3.2Å; Y8-I11 PolarHBondContact O-N 2.87Å; I9-I11 PolarHBondContact O-N 2.94Å; I11-S15 WeakPolarHBondContact O-CB 3.47Å; I11-S15 PolarHBondContact O-N 3.38Å; I11-S15 PolarHBondContact O-OG 2.71Å
12	I	70.5	Confident	62.2	Low	68 Å²	68	109.4 Å²	109.4	35%	0.349	55%	0.55	S	S	.	*	H	α-helix	trans	-64.2	-43.2	175.8	-73.7	-177.5	0	0	0	110.7	Y8 I9 S15 I16	Y8-I12 HydrophobicContact CD1-CD1 3.77Å; Y8-I12 HydrophobicContact CD1-CG1 4.49Å; Y8-I12 HydrophobicContact CE1-CD1 3.24Å; Y8-I12 HydrophobicContact CE1-CG1 4.21Å; Y8-I12 WeakPolarHBondContact O-CG1 3.44Å; Y8-I12 PolarHBondContact O-N 2.81Å; I9-I12 PolarHBondContact O-N 2.98Å; I12-S15 WeakPolarHBondContact CA-OG 3.37Å; I12-S15 PolarHBondContact O-N 2.71Å; I12-S15 PolarHBondContact O-OG 2.71Å; I12-I16 HydrophobicContact CG2-CD1 3.69Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 VanDerWaalsContact O-CG1 3.29Å; I12-I16 WeakPolarHBondContact O-CG1 3.37Å; I12-I16 PolarHBondContact O-N 2.68Å
13	Q	68.5	Low	60.3	Low	119 Å²	119	108.9 Å²	108.9	56%	0.556	55%	0.55	S	S	*	.	H	α-helix	trans	-68	-40	-178.8	-158.3	142.3	-11.7	0	0	111.7	I9 I10 S15 I16 E17	I9-Q13 WeakPolarHBondContact O-CB 3.31Å; I9-Q13 PolarHBondContact O-N 2.87Å; I10-Q13 PolarHBondContact O-N 2.93Å; Q13-S15 PolarHBondContact O-N 2.77Å; Q13-I16 PolarHBondContact O-N 2.93Å; Q13-E17 PolarHBondContact O-N 3.44Å
14	S	60.9	Low	57.9	Low	64 Å²	64	108.7 Å²	108.7	45%	0.448	55%	0.549	S	S	.	.	H	α-helix	trans	-61.3	-40.2	172	168	0	0	0	0	112.6	I10 E17 H18	I10-S14 WeakPolarHBondContact O-CB 3.44Å; I10-S14 PolarHBondContact O-N 3.26Å; S14-E17 PolarHBondContact O-N 2.89Å; S14-H18 WeakPolarHBondContact O-CB 3.27Å; S14-H18 PolarHBondContact O-N 3.19Å
15	S	52.2	Low	55.9	Low	56 Å²	56	109 Å²	109	39%	0.392	56%	0.558	S	S	.	*	H	α-helix	trans	-73.2	-32.5	178.5	44.1	0	0	0	0	112.8	I11 I12 Q13 H18 L19	I11-S15 WeakPolarHBondContact O-CB 3.47Å; I11-S15 PolarHBondContact O-N 3.38Å; I11-S15 PolarHBondContact O-OG 2.71Å; I12-S15 WeakPolarHBondContact CA-OG 3.37Å; I12-S15 PolarHBondContact O-N 2.71Å; I12-S15 PolarHBondContact O-OG 2.71Å; Q13-S15 PolarHBondContact O-N 2.77Å; S15-H18 PolarHBondContact O-N 3.02Å; S15-L19 PolarHBondContact O-N 3.46Å
16	I	52.4	Low	53.5	Low	91 Å²	91	107.1 Å²	107.1	47%	0.467	56%	0.563	S	S	.	*	H	α-helix	trans	-67.5	-42.5	170.7	-67.8	167	0	0	0	110.8	I12 Q13 H18 L19 N20	I12-I16 HydrophobicContact CG2-CD1 3.69Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 VanDerWaalsContact O-CG1 3.29Å; I12-I16 WeakPolarHBondContact O-CG1 3.37Å; I12-I16 PolarHBondContact O-N 2.68Å; Q13-I16 PolarHBondContact O-N 2.93Å; I16-H18 VanDerWaalsContact C-N 3.35Å; I16-L19 WeakPolarHBondContact O-CB 3.49Å; I16-L19 PolarHBondContact O-N 2.9Å; I16-N20 PolarHBondContact O-N 3.22Å
17	E	51.3	Low	50.8	Low	118 Å²	118	113.4 Å²	113.4	55%	0.551	59%	0.586	S	S	*	*	H	α-helix	trans	-63.7	-40	173.9	-79.9	-175.7	169	0	0	111.8	Q13 S14 L19 N20 I21	Q13-E17 PolarHBondContact O-N 3.44Å; S14-E17 PolarHBondContact O-N 2.89Å; E17-L19 VanDerWaalsContact C-N 3.26Å; E17-L19 PolarHBondContact O-N 3.28Å; E17-N20 CarbonylContact O-C 3.52Å; E17-N20 PolarHBondContact O-N 3.09Å; E17-N20 VanDerWaalsContact O-N 3.08Å; E17-I21 VanDerWaalsContact O-CG1 3.26Å; E17-I21 WeakPolarHBondContact O-CG1 3.26Å; E17-I21 PolarHBondContact O-N 3.45Å
18	H	47.6	Very low	48.3	Very low	131 Å²	131	116.5 Å²	116.5	61%	0.606	60%	0.604	S	S	*	*	H	α-helix	trans	-64.6	-31.4	175.4	-126	-67.4	0	0	0	112.8	S14 S15 I16 I22	S14-H18 WeakPolarHBondContact O-CB 3.27Å; S14-H18 PolarHBondContact O-N 3.19Å; S15-H18 PolarHBondContact O-N 3.02Å; I16-H18 VanDerWaalsContact C-N 3.35Å; H18-I22 WeakPolarHBondContact O-CG1 3.5Å
19	L	42.1	Very low	45.7	Very low	124 Å²	124	116.9 Å²	116.9	65%	0.649	62%	0.615	S	S	*	*	H	α-helix	trans	-72.3	-35	171.2	-95.4	147.4	0	0	0	112.2	S15 I16 E17	S15-L19 PolarHBondContact O-N 3.46Å; I16-L19 WeakPolarHBondContact O-CB 3.49Å; I16-L19 PolarHBondContact O-N 2.9Å; E17-L19 VanDerWaalsContact C-N 3.26Å; E17-L19 PolarHBondContact O-N 3.28Å
20	N	40.8	Very low	43.1	Very low	106 Å²	106	120 Å²	120	57%	0.567	63%	0.631	S	S	*	*	H	α-helix	trans	-78.7	-24.1	176.9	-77.7	-14.3	0	0	0	113.6	I16 E17 I22 H23	I16-N20 PolarHBondContact O-N 3.22Å; E17-N20 CarbonylContact O-C 3.52Å; E17-N20 PolarHBondContact O-N 3.09Å; E17-N20 VanDerWaalsContact O-N 3.08Å; N20-I22 PolarHBondContact O-N 3.43Å; N20-H23 WeakPolarHBondContact O-CB 3.48Å; N20-H23 PolarHBondContact O-N 2.75Å; N20-H23 VanDerWaalsContact O-N 3.12Å
21	I	35.4	Very low	40.6	Very low	111 Å²	111	122.5 Å²	122.5	57%	0.569	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-14	175.1	-66.7	163.2	0	0	0	111.7	E17 H23	E17-I21 VanDerWaalsContact O-CG1 3.26Å; E17-I21 WeakPolarHBondContact O-CG1 3.26Å; E17-I21 PolarHBondContact O-N 3.45Å; I21-H23 PolarHBondContact O-N 3.19Å; I21-H23 VanDerWaalsContact O-N 3.17Å
22	I	30.9	Very low	38.2	Very low	134 Å²	134	127.9 Å²	127.9	69%	0.687	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-0.2	167.8	-61.2	166.9	0	0	0	111.3	H18 N20 I24	H18-I22 WeakPolarHBondContact O-CG1 3.5Å; N20-I22 PolarHBondContact O-N 3.43Å; I22-I24 VanDerWaalsContact C-N 3.31Å; I22-I24 PolarHBondContact O-N 2.84Å
23	H	28.6	Very low	35.9	Very low	168 Å²	168	130.4 Å²	130.4	78%	0.778	66%	0.663	S	S	*	*			trans	-89.2	54.9	172.9	-123	-71.6	0	0	0	112.6	N20 I21	N20-H23 WeakPolarHBondContact O-CB 3.48Å; N20-H23 PolarHBondContact O-N 2.75Å; N20-H23 VanDerWaalsContact O-N 3.12Å; I21-H23 PolarHBondContact O-N 3.19Å; I21-H23 VanDerWaalsContact O-N 3.17Å
24	I	26.3	Very low	33.8	Very low	126 Å²	126	129 Å²	129	65%	0.646	67%	0.665	S	S	*	*	S	Bend	trans	-128.5	125.5	165.8	-61.7	175.6	0	0	0	108.6	I22	I22-I24 VanDerWaalsContact C-N 3.31Å; I22-I24 PolarHBondContact O-N 2.84Å
25	N	26.1	Very low	31.9	Very low	165 Å²	165	132.7 Å²	132.7	88%	0.882	68%	0.679	S	S	*	*	S	Bend	trans	83.6	62.9	174	-58.9	-13.6	0	0	0	117.2
26	G	23.5	Very low	30.5	Very low	64 Å²	64	139 Å²	139	66%	0.66	70%	0.7	S	S	*	*			trans	-152.7	34.3	165.2	0	0	0	0	0	113.2	N28	G26-N28 PolarHBondContact O-N 3.41Å
27	Q	24.9	Very low	29.2	Very low	194 Å²	194	143.6 Å²	143.6	91%	0.907	72%	0.717	S	S	*	*			trans	-66.8	82.2	162	-77.5	179.4	-15.6	0	0	108.4
28	N	25.7	Very low	27.8	Very low	150 Å²	150	148 Å²	148	80%	0.802	73%	0.728	S	S	*	*			trans	-155.2	34.3	160.8	-92	-22.6	0	0	0	110.1	G26 L30	G26-N28 PolarHBondContact O-N 3.41Å; N28-L30 PolarHBondContact O-N 2.74Å
29	I	25.8	Very low	26.6	Very low	159 Å²	159	148.7 Å²	148.7	82%	0.815	74%	0.737	S	S	*	*			trans	-71.6	86.7	158.9	-58.1	173.2	0	0	0	105	K31	I29-K31 PolarHBondContact O-N 2.73Å
30	L	24.2	Very low	25.9	Very low	155 Å²	155	149.4 Å²	149.4	81%	0.812	73%	0.734	S	S	*	*			trans	-53.8	96.4	163.3	-81.6	159.7	0	0	0	106.5	N28 Y32	N28-L30 PolarHBondContact O-N 2.74Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 3.3Å
31	K	23.5	Very low	25.3	Very low	165 Å²	165	151.4 Å²	151.4	72%	0.717	75%	0.745	S	S	*	*			trans	-61.9	99	171.2	-158.9	-172.9	-179.1	-145.7	0	105.6	I29 E33	I29-K31 PolarHBondContact O-N 2.73Å; K31-E33 IonicContact NZ-OE1 2.77Å; K31-E33 PolarHBondContact NZ-OE1 2.85Å; K31-E33 PolarHBondContact O-N 3.49Å
32	Y	21.8	Very low	24.7	Very low	217 Å²	217	153.5 Å²	153.5	85%	0.851	76%	0.757	S	S	*	*			trans	-71.8	85.8	177.5	-154.9	-91.4	0	0	0	107.2	L30 P34	L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 3.3Å; Y32-P34 VanDerWaalsContact O-CD 3.32Å; Y32-P34 WeakPolarHBondContact O-CD 3.39Å
33	E	22.2	Very low	24.5	Very low	122 Å²	122	155.7 Å²	155.7	57%	0.57	76%	0.762	S	S	*	*			trans	-80.5	115.5	169.3	-81.3	-169.8	-177.5	0	0	108.6	K31 N35	K31-E33 IonicContact NZ-OE1 2.77Å; K31-E33 PolarHBondContact NZ-OE1 2.85Å; K31-E33 PolarHBondContact O-N 3.49Å; E33-N35 PolarHBondContact O-N 3.26Å
34	P	23.1	Very low	24.3	Very low	90 Å²	90	155.6 Å²	155.6	58%	0.584	76%	0.762	S	S	*	*			trans	-67.2	104.4	175.5	26.6	-31.5	0	0	0	108.7	Y32 F36	Y32-P34 VanDerWaalsContact O-CD 3.32Å; Y32-P34 WeakPolarHBondContact O-CD 3.39Å; P34-F36 HydrophobicContact CB-CD2 4.09Å; P34-F36 HydrophobicContact CB-CE2 3.95Å; P34-F36 HydrophobicContact CG-CD2 4.34Å; P34-F36 HydrophobicContact CG-CE2 4.16Å; P34-F36 PolarHBondContact O-N 3.41Å
35	N	22.4	Very low	24.3	Very low	141 Å²	141	156.4 Å²	156.4	75%	0.754	77%	0.766	S	S	*	*			trans	-67.1	82	172.3	-85.6	-44.5	0	0	0	110.1	E33 K37	E33-N35 PolarHBondContact O-N 3.26Å; N35-K37 PolarHBondContact O-N 3.12Å
36	F	22.3	Very low	24.1	Very low	188 Å²	188	155.3 Å²	155.3	83%	0.825	76%	0.759	S	S	*	*			trans	-69.5	79.5	162	-77.8	-84.3	0	0	0	108.8	P34 W38	P34-F36 HydrophobicContact CB-CD2 4.09Å; P34-F36 HydrophobicContact CB-CE2 3.95Å; P34-F36 HydrophobicContact CG-CD2 4.34Å; P34-F36 HydrophobicContact CG-CE2 4.16Å; P34-F36 PolarHBondContact O-N 3.41Å; F36-W38 PolarHBondContact O-N 3.15Å; F36-W38 VanDerWaalsContact O-N 3.07Å
37	K	24	Very low	24.2	Very low	188 Å²	188	159.1 Å²	159.1	82%	0.817	76%	0.764	S	S	*	*			trans	-76.8	94.6	167.7	-83.3	-173.1	176.8	179.9	0	108.9	N35 N39	N35-K37 PolarHBondContact O-N 3.12Å; K37-N39 PolarHBondContact O-N 2.89Å; K37-N39 VanDerWaalsContact O-N 3.11Å
38	W	21.7	Very low	24.4	Very low	210 Å²	210	156.4 Å²	156.4	80%	0.795	76%	0.756	S	S	*	*			trans	-64.6	106.2	168.6	-134.7	28.9	0	0	0	108.5	F36 K40	F36-W38 PolarHBondContact O-N 3.15Å; F36-W38 VanDerWaalsContact O-N 3.07Å; W38-K40 HydrophobicContact CD2-CD 4.45Å; W38-K40 HydrophobicContact CE3-CD 3.86Å; W38-K40 VanDerWaalsContact CE3-CE 3.41Å; W38-K40 HydrophobicContact CE3-CG 4.39Å; W38-K40 HydrophobicContact CZ3-CD 4.11Å; W38-K40 PolarHBondContact O-N 2.7Å
39	N	23.4	Very low	24.4	Very low	146 Å²	146	156.1 Å²	156.1	78%	0.781	75%	0.754	S	S	*	*			trans	-79.3	67.5	-178.2	-150.5	7.7	0	0	0	109.9	K37 N41	K37-N39 PolarHBondContact O-N 2.89Å; K37-N39 VanDerWaalsContact O-N 3.11Å; N39-N41 PolarHBondContact O-N 2.84Å
40	K	26.4	Very low	24.2	Very low	138 Å²	138	155 Å²	155	60%	0.6	75%	0.75	S	S	*	*			trans	-89.3	90.4	166.6	-76.4	-176.3	174.8	-179.9	0	106.8	W38	W38-K40 HydrophobicContact CD2-CD 4.45Å; W38-K40 HydrophobicContact CE3-CD 3.86Å; W38-K40 VanDerWaalsContact CE3-CE 3.41Å; W38-K40 HydrophobicContact CE3-CG 4.39Å; W38-K40 HydrophobicContact CZ3-CD 4.11Å; W38-K40 PolarHBondContact O-N 2.7Å
41	N	28.5	Very low	24.3	Very low	149 Å²	149	158.3 Å²	158.3	80%	0.797	75%	0.753	S	S	*	*			trans	-177.9	51.7	153.9	-85.6	-13	0	0	0	111	N39 K43	N39-N41 PolarHBondContact O-N 2.84Å; N41-K43 VanDerWaalsContact C-N 3.28Å; N41-K43 PolarHBondContact O-N 3.35Å
42	N	24.1	Very low	24.1	Very low	154 Å²	154	158 Å²	158	82%	0.824	76%	0.759	S	S	*	*			trans	-89	70.9	158.8	-82.1	-2.7	0	0	0	108.7
43	K	25.6	Very low	24.2	Very low	181 Å²	181	154.9 Å²	154.9	79%	0.787	76%	0.756	S	S	*	*			trans	-140.8	98.7	164.3	-80	-168.4	178.3	-179.5	0	110.1	N41	N41-K43 VanDerWaalsContact C-N 3.28Å; N41-K43 PolarHBondContact O-N 3.35Å
44	Q	24.4	Very low	24.2	Very low	166 Å²	166	156.7 Å²	156.7	78%	0.776	76%	0.764	S	S	*	*			trans	75.6	138.7	131.3	-73.7	178.4	-35.4	0	0	120.3
45	I	26.3	Very low	24.2	Very low	143 Å²	143	159.4 Å²	159.4	73%	0.733	77%	0.772	S	S	*	*			trans	88.9	91.8	156.3	-53.7	135.7	0	0	0	113.9
46	I	22.8	Very low	24.2	Very low	142 Å²	142	159.7 Å²	159.7	73%	0.728	78%	0.779	S	S	*	*				58.2	102.2	83.6	-52.8	168.8	0	0	0	112.3
47	N	25.6	Very low	24.2	Very low	144 Å²	144	159.5 Å²	159.5	77%	0.77	78%	0.778	S	S	*	*			trans	173.8	143.7	130.2	-94.4	-14.6	0	0	0	113.2
48	N	28.6	Very low	24.2	Very low	136 Å²	136	159.5 Å²	159.5	73%	0.727	78%	0.778	S	S	*	*			trans	79.8	91.5	159.3	-65.7	4.1	0	0	0	119.5
49	D	25.3	Very low	24.1	Very low	144 Å²	144	155.4 Å²	155.4	77%	0.77	78%	0.781	S	S	*	*				44.9	130.6	112.6	-57.7	-15.3	0	0	0	121.1
50	N	22.8	Very low	24	Very low	136 Å²	136	159.3 Å²	159.3	73%	0.727	79%	0.785	S	S	*	*			trans	72.2	76.7	151.3	-77.6	-10.9	0	0	0	119
51	Y	25.2	Very low	23.7	Very low	224 Å²	224	161.5 Å²	161.5	88%	0.878	80%	0.799	S	S	*	*			trans	-140.5	89.7	133.7	-81.3	-75.2	0	0	0	110.3	I53	Y51-I53 PolarHBondContact O-N 3.31Å
52	D	20.4	Very low	23.4	Very low	159 Å²	159	159.9 Å²	159.9	85%	0.85	80%	0.795	S	S	*	*			trans	-72.3	96.6	155.5	-86.7	-32.8	0	0	0	108.3
53	I	24.3	Very low	23.3	Very low	151 Å²	151	161.4 Å²	161.4	77%	0.774	80%	0.797	S	S	*	*			trans	-120	122.9	155.1	-63.3	-179.2	0	0	0	109	Y51	Y51-I53 PolarHBondContact O-N 3.31Å
54	Q	22.2	Very low	23	Very low	160 Å²	160	159.6 Å²	159.6	75%	0.748	80%	0.795	S	S	*	*			trans	-62.6	135.6	-167.7	-75	169.9	-1.3	0	0	114.5
55	I	21.7	Very low	23	Very low	147 Å²	147	157.1 Å²	157.1	75%	0.754	79%	0.793	S	S	*	*				62.3	76.8	129.9	-47.3	164.8	0	0	0	115.7
56	V	22.1	Very low	22.8	Very low	148 Å²	148	156.9 Å²	156.9	90%	0.897	79%	0.792	S	S	*	*			trans	-121.4	86.8	144.4	-177.1	0	0	0	0	107.1
57	K	23.2	Very low	22.7	Very low	183 Å²	183	157.9 Å²	157.9	80%	0.796	79%	0.794	S	S	*	*			trans	-145.6	122.9	171.3	-108.2	179.6	-170.3	174.5	0	111.9
58	K	23.4	Very low	22.6	Very low	188 Å²	188	157.8 Å²	157.8	82%	0.817	79%	0.789	S	S	*	*			trans	97.4	61	150	-59.1	171	177.8	178.9	0	117.6	R60	K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 2.96Å
59	S	20.9	Very low	22.3	Very low	124 Å²	124	158.4 Å²	158.4	87%	0.867	79%	0.787	S	S	*	*			trans	-73.1	97.6	135.6	37.3	0	0	0	0	107.7	M61	S59-M61 PolarHBondContact O-N 2.99Å; S59-M61 VanDerWaalsContact O-N 3.07Å
60	R	20	Very low	22.2	Very low	228 Å²	228	159 Å²	159	86%	0.86	78%	0.783	S	S	*	*			trans	-70.2	96.3	175.2	-143.5	-179.8	-165.4	179.7	2.2	106.7	K58 V62	K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 2.96Å; R60-V62 PolarHBondContact O-N 3.33Å
61	M	21.1	Very low	22.3	Very low	184 Å²	184	159.3 Å²	159.3	91%	0.906	78%	0.784	S	S	*	*			trans	-65.2	103	165.8	-94.1	-174.1	170.5	0	0	107.3	S59 Q63	S59-M61 PolarHBondContact O-N 2.99Å; S59-M61 VanDerWaalsContact O-N 3.07Å; M61-Q63 PolarHBondContact O-N 2.9Å; M61-Q63 VanDerWaalsContact O-N 3.09Å
62	V	22	Very low	22.4	Very low	116 Å²	116	155.6 Å²	155.6	70%	0.703	78%	0.775	S	S	*	*			trans	-64.1	107.3	165	177.6	0	0	0	0	106	R60 L64	R60-V62 PolarHBondContact O-N 3.33Å; V62-L64 VanDerWaalsContact C-N 3.29Å; V62-L64 PolarHBondContact O-N 3.46Å
63	Q	20.7	Very low	22.8	Very low	186 Å²	186	153.8 Å²	153.8	87%	0.869	77%	0.765	S	S	*	*			trans	-61.9	94.9	167.6	-80.5	175	-34.5	0	0	107.5	M61	M61-Q63 PolarHBondContact O-N 2.9Å; M61-Q63 VanDerWaalsContact O-N 3.09Å
64	L	21.1	Very low	23.1	Very low	142 Å²	142	149.3 Å²	149.3	74%	0.743	75%	0.747	S	S	*	*			trans	-66.6	127.5	158.9	-84.7	143.9	0	0	0	106.6	V62 I66	V62-L64 VanDerWaalsContact C-N 3.29Å; V62-L64 PolarHBondContact O-N 3.46Å; L64-I66 PolarHBondContact O-N 2.88Å
65	P	23.4	Very low	23.7	Very low	114 Å²	114	150.5 Å²	150.5	74%	0.74	75%	0.75	S	S	*	*			trans	-61.7	111.6	178.1	24.5	-30.7	0	0	0	107.9	E67	P65-E67 PolarHBondContact O-N 2.92Å
66	I	22.1	Very low	24.4	Very low	138 Å²	138	146.9 Å²	146.9	71%	0.708	74%	0.735	S	S	*	*			trans	-71.1	89.4	168	-63.5	167.4	0	0	0	105	L64 Q68	L64-I66 PolarHBondContact O-N 2.88Å; I66-Q68 HydrophobicContact CG2-CB 4.21Å; I66-Q68 HydrophobicContact CG2-CG 3.59Å; I66-Q68 PolarHBondContact O-N 3.45Å
67	E	21.8	Very low	25	Very low	164 Å²	164	142.9 Å²	142.9	77%	0.766	71%	0.713	S	S	*	*			trans	-66.7	81.1	158.6	-84.8	-176	153.7	0	0	107.2	P65 H69	P65-E67 PolarHBondContact O-N 2.92Å; E67-H69 PolarHBondContact O-N 3.5Å
68	Q	22.4	Very low	25.9	Very low	141 Å²	141	137.6 Å²	137.6	66%	0.659	69%	0.694	S	S	*	*			trans	-66.2	85.6	164.6	-101.2	163.6	13.3	0	0	107.2	I66 F70	I66-Q68 HydrophobicContact CG2-CB 4.21Å; I66-Q68 HydrophobicContact CG2-CG 3.59Å; I66-Q68 PolarHBondContact O-N 3.45Å; Q68-F70 HydrophobicContact CB-CD2 4.12Å; Q68-F70 HydrophobicContact CB-CE2 4.23Å; Q68-F70 HydrophobicContact CG-CE2 4.38Å; Q68-F70 PolarHBondContact O-N 3.15Å
69	H	21.9	Very low	26.7	Very low	150 Å²	150	134.3 Å²	134.3	69%	0.694	68%	0.676	S	S	*	*			trans	-64.4	82	159.9	-86.9	-76.9	0	0	0	108.1	E67 L71	E67-H69 PolarHBondContact O-N 3.5Å; H69-L71 PolarHBondContact O-N 2.83Å
70	F	23.9	Very low	27.3	Very low	155 Å²	155	131.1 Å²	131.1	68%	0.68	65%	0.647	S	S	*	*			trans	-60.8	88.1	152.9	-84.7	-89.8	0	0	0	106.5	Q68 E72	Q68-F70 HydrophobicContact CB-CD2 4.12Å; Q68-F70 HydrophobicContact CB-CE2 4.23Å; Q68-F70 HydrophobicContact CG-CE2 4.38Å; Q68-F70 PolarHBondContact O-N 3.15Å; F70-E72 PolarHBondContact O-N 3.3Å
71	L	24.4	Very low	28.1	Very low	143 Å²	143	126.7 Å²	126.7	75%	0.749	63%	0.634	S	S	*	*			trans	-74.8	65.5	159.8	-136.8	87.2	0	0	0	106.6	H69 N73	H69-L71 PolarHBondContact O-N 2.83Å; L71-N73 PolarHBondContact O-N 2.86Å; L71-N73 VanDerWaalsContact O-N 3.12Å
72	E	26.9	Very low	29.1	Very low	147 Å²	147	122.6 Å²	122.6	69%	0.687	62%	0.616	S	S	*	*			trans	-56.6	118.7	162	-86.3	-174.4	147.8	0	0	106.2	F70 S74	F70-E72 PolarHBondContact O-N 3.3Å; E72-S74 PolarHBondContact O-N 2.91Å
73	N	29.7	Very low	29.9	Very low	121 Å²	121	125.8 Å²	125.8	65%	0.647	62%	0.615	S	S	*	*			trans	-66.6	63.3	167.9	-82.5	-28.5	0	0	0	109	L71 K75	L71-N73 PolarHBondContact O-N 2.86Å; L71-N73 VanDerWaalsContact O-N 3.12Å; N73-K75 PolarHBondContact O-N 3.41Å
74	S	31.1	Very low	30.6	Very low	56 Å²	56	118.9 Å²	118.9	39%	0.392	58%	0.584	S	S	.	*	H	α-helix	trans	-65	-24.2	-177.5	53.1	0	0	0	0	112.1	E72 T76 D78	E72-S74 PolarHBondContact O-N 2.91Å; S74-T76 PolarHBondContact O-N 2.97Å; S74-D78 VanDerWaalsContact O-CB 3.24Å; S74-D78 WeakPolarHBondContact O-CB 3.28Å; S74-D78 VanDerWaalsContact O-CG 3.25Å; S74-D78 PolarHBondContact O-N 3.23Å
75	K	34.9	Very low	31.3	Very low	185 Å²	185	116.6 Å²	116.6	80%	0.804	57%	0.57	S	S	*	*	H	α-helix	trans	-66.7	-33.2	-172.4	-71.1	-172.9	177.4	179.8	0	115.2	N73	N73-K75 PolarHBondContact O-N 3.41Å
76	T	35.3	Very low	32	Very low	72 Å²	72	118.9 Å²	118.9	44%	0.442	57%	0.569	S	S	.	*	H	α-helix	trans	-89.1	-36.4	-176.5	53.9	0	0	0	0	112.9	S74	S74-T76 PolarHBondContact O-N 2.97Å
77	S	35.2	Very low	32.7	Very low	63 Å²	63	121.1 Å²	121.1	44%	0.441	57%	0.573	S	S	.	*	H	α-helix	trans	-63.7	-44.6	172.9	159.9	0	0	0	0	111.6	W79 F80 K81	S77-W79 VanDerWaalsContact C-N 3.35Å; S77-W79 PolarHBondContact O-N 3.26Å; S77-F80 PolarHBondContact O-N 3.16Å; S77-K81 PolarHBondContact O-N 3.34Å
78	D	41.2	Very low	33.3	Very low	73 Å²	73	117.9 Å²	117.9	39%	0.39	56%	0.557	S	S	.	*	H	α-helix	trans	-71.8	-29	-174.8	-73.1	-15.7	0	0	0	113.1	S74 F80 N82	S74-D78 VanDerWaalsContact O-CB 3.24Å; S74-D78 WeakPolarHBondContact O-CB 3.28Å; S74-D78 VanDerWaalsContact O-CG 3.25Å; S74-D78 PolarHBondContact O-N 3.23Å; D78-F80 PolarHBondContact O-N 3.18Å; D78-N82 WeakPolarHBondContact O-CB 3.5Å; D78-N82 VanDerWaalsContact O-CG 3.29Å; D78-N82 PolarHBondContact O-N 3.47Å; D78-N82 PolarHBondContact O-ND2 3.35Å
79	W	40	Very low	33.6	Very low	119 Å²	119	118 Å²	118	45%	0.451	55%	0.552	S	S	.	*	H	α-helix	trans	-61.1	-46	176.1	166.9	81.9	0	0	0	112.1	S77 R83 F275	S77-W79 VanDerWaalsContact C-N 3.35Å; S77-W79 PolarHBondContact O-N 3.26Å; W79-R83 PolarHBondContact O-N 2.93Å; W79-F275 HydrophobicContact CZ3-CD2 4.21Å
80	F	34.2	Very low	33.9	Very low	57 Å²	57	114.1 Å²	114.1	25%	0.25	55%	0.552	C	S	.	*	H	α-helix	trans	-70.4	-44.4	-178.6	-170.6	-97	0	0	0	111.3	S77 D78 I84	S77-F80 PolarHBondContact O-N 3.16Å; D78-F80 PolarHBondContact O-N 3.18Å; F80-I84 HydrophobicContact CD2-CD1 4.39Å; F80-I84 HydrophobicContact CE1-CD1 3.99Å; F80-I84 HydrophobicContact CE2-CD1 3.73Å; F80-I84 HydrophobicContact CZ-CD1 3.51Å; F80-I84 PolarHBondContact O-N 2.86Å
81	K	36.6	Very low	34.1	Very low	134 Å²	134	112.6 Å²	112.6	58%	0.583	55%	0.55	S	S	*	.	H	α-helix	trans	-59.1	-48.3	174.5	-101.9	-178.5	176.1	177.9	0	111.7	S77 R83 M85	S77-K81 PolarHBondContact O-N 3.34Å; K81-R83 PolarHBondContact O-N 3.47Å; K81-M85 WeakPolarHBondContact O-CB 3.41Å; K81-M85 VanDerWaalsContact O-CG 3.25Å; K81-M85 WeakPolarHBondContact O-CG 3.39Å; K81-M85 PolarHBondContact O-N 2.9Å
82	N	42.9	Very low	34.3	Very low	99 Å²	99	114 Å²	114	53%	0.529	55%	0.55	S	S	.	*	H	α-helix	trans	-69.1	-32.2	-173.9	-80	-32.2	0	0	0	113.8	D78 K86	D78-N82 WeakPolarHBondContact O-CB 3.5Å; D78-N82 VanDerWaalsContact O-CG 3.29Å; D78-N82 PolarHBondContact O-N 3.47Å; D78-N82 PolarHBondContact O-ND2 3.35Å; N82-K86 VanDerWaalsContact O-CB 3.32Å; N82-K86 WeakPolarHBondContact O-CB 3.36Å; N82-K86 WeakPolarHBondContact O-CG 3.4Å
83	R	38.9	Very low	34.5	Very low	182 Å²	182	113.1 Å²	113.1	69%	0.687	55%	0.55	S	S	*	*	H	α-helix	trans	-82.1	-37.3	-177.2	-163	170.3	-176.7	124.5	-3.5	113.2	W79 K81	W79-R83 PolarHBondContact O-N 2.93Å; K81-R83 PolarHBondContact O-N 3.47Å
84	I	35.7	Very low	34.2	Very low	42 Å²	42	113.8 Å²	113.8	22%	0.215	55%	0.554	C	S	.	*	H	α-helix	trans	-83	-44.9	-179.9	-62.2	-167.7	0	0	0	110.8	F80 K86 K87 F88 L268	F80-I84 HydrophobicContact CD2-CD1 4.39Å; F80-I84 HydrophobicContact CE1-CD1 3.99Å; F80-I84 HydrophobicContact CE2-CD1 3.73Å; F80-I84 HydrophobicContact CZ-CD1 3.51Å; F80-I84 PolarHBondContact O-N 2.86Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 3.32Å; I84-K87 PolarHBondContact O-N 3.26Å; I84-K87 VanDerWaalsContact O-N 3.1Å; I84-F88 HydrophobicContact CG2-CD2 3.74Å; I84-F88 HydrophobicContact CG2-CE2 4.14Å; I84-F88 PolarHBondContact O-N 3.29Å; I84-L268 HydrophobicContact CD1-CD1 4.03Å; I84-L268 HydrophobicContact CD1-CD2 4.16Å; I84-L268 HydrophobicContact CD1-CG 3.86Å; I84-L268 HydrophobicContact CG2-CD1 4.29Å
85	M	35.7	Very low	34.1	Very low	94 Å²	94	117.1 Å²	117.1	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-67.3	-32.4	-176.8	-62.1	-67.1	-102.8	0	0	112.3	K81 K87 F88 Y89	K81-M85 WeakPolarHBondContact O-CB 3.41Å; K81-M85 VanDerWaalsContact O-CG 3.25Å; K81-M85 WeakPolarHBondContact O-CG 3.39Å; K81-M85 PolarHBondContact O-N 2.9Å; M85-K87 VanDerWaalsContact C-N 3.31Å; M85-K87 PolarHBondContact O-N 3.33Å; M85-F88 PolarHBondContact O-N 3.41Å; M85-Y89 HydrophobicContact CB-CD2 4.37Å; M85-Y89 HydrophobicContact CE-CD2 4.25Å; M85-Y89 HydrophobicContact CE-CE2 3.58Å; M85-Y89 WeakPolarHBondContact O-CB 3.2Å; M85-Y89 PolarHBondContact O-N 3.29Å; M85-Y89 HydrophobicContact SD-CD2 4.1Å; M85-Y89 HydrophobicContact SD-CE2 3.71Å
86	K	37.3	Very low	33.6	Very low	162 Å²	162	117.5 Å²	117.5	70%	0.704	57%	0.571	S	S	*	*	H	α-helix	trans	-68.2	-24.3	173.4	-83.5	-172.5	172.2	-177.1	0	114.5	N82 I84	N82-K86 VanDerWaalsContact O-CB 3.32Å; N82-K86 WeakPolarHBondContact O-CB 3.36Å; N82-K86 WeakPolarHBondContact O-CG 3.4Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 3.32Å
87	K	36.7	Very low	33.1	Very low	184 Å²	184	121.5 Å²	121.5	80%	0.8	59%	0.589	S	S	*	*	H	α-helix	trans	-85.7	-33.5	174.9	-89	-167.1	173.1	-169.2	0	112.4	I84 M85	I84-K87 PolarHBondContact O-N 3.26Å; I84-K87 VanDerWaalsContact O-N 3.1Å; M85-K87 VanDerWaalsContact C-N 3.31Å; M85-K87 PolarHBondContact O-N 3.33Å
88	F	33.7	Very low	32.5	Very low	96 Å²	96	121.4 Å²	121.4	42%	0.421	60%	0.597	S	S	.	*	H	α-helix	trans	-81.8	-47.9	-177.8	-97	-86.3	0	0	0	112.8	I84 M85 G90 V260 L268	I84-F88 HydrophobicContact CG2-CD2 3.74Å; I84-F88 HydrophobicContact CG2-CE2 4.14Å; I84-F88 PolarHBondContact O-N 3.29Å; M85-F88 PolarHBondContact O-N 3.41Å; F88-G90 PolarHBondContact O-N 2.85Å; F88-V260 HydrophobicContact CE1-CG2 3.81Å; F88-V260 HydrophobicContact CZ-CG1 4.44Å; F88-V260 HydrophobicContact CZ-CG2 3.9Å; F88-L268 HydrophobicContact CE2-CD1 4.07Å
89	Y	28.9	Very low	31.6	Very low	145 Å²	145	125.5 Å²	125.5	57%	0.569	62%	0.62	S	S	*	*	S	Bend	trans	-85.1	94.8	166.4	-61.2	-83.8	0	0	0	105.1	M85 I91	M85-Y89 HydrophobicContact CB-CD2 4.37Å; M85-Y89 HydrophobicContact CE-CD2 4.25Å; M85-Y89 HydrophobicContact CE-CE2 3.58Å; M85-Y89 WeakPolarHBondContact O-CB 3.2Å; M85-Y89 PolarHBondContact O-N 3.29Å; M85-Y89 HydrophobicContact SD-CD2 4.1Å; M85-Y89 HydrophobicContact SD-CE2 3.71Å; Y89-I91 PolarHBondContact O-N 3.13Å
90	G	28.4	Very low	30.9	Very low	67 Å²	67	129.1 Å²	129.1	69%	0.691	64%	0.638	S	S	*	*			trans	-60.8	71.9	155.4	0	0	0	0	0	107.7	F88 K92	F88-G90 PolarHBondContact O-N 2.85Å; G90-K92 PolarHBondContact O-N 3.35Å
91	I	29.1	Very low	30.4	Very low	124 Å²	124	134 Å²	134	64%	0.636	67%	0.667	S	S	*	*			trans	-63.7	88	169.5	-60.4	177.7	0	0	0	103.2	Y89 N93	Y89-I91 PolarHBondContact O-N 3.13Å; I91-N93 PolarHBondContact O-N 3Å
92	K	28.7	Very low	29.8	Very low	173 Å²	173	134 Å²	134	75%	0.752	67%	0.672	S	S	*	*			trans	-51.9	103.4	150.6	-69.9	-179.9	176.2	-178.3	0	103.3	G90 N94	G90-K92 PolarHBondContact O-N 3.35Å; K92-N94 PolarHBondContact O-N 2.95Å
93	N	29.5	Very low	28.7	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	69%	0.688	S	S	*	*			trans	-57.9	96.9	159.6	-76.5	-4.5	0	0	0	104.8	I91 D95	I91-N93 PolarHBondContact O-N 3Å; N93-D95 PolarHBondContact O-N 2.95Å; N93-D95 VanDerWaalsContact O-N 3.15Å
94	N	25.2	Very low	28	Very low	135 Å²	135	136.4 Å²	136.4	72%	0.722	69%	0.69	S	S	*	*			trans	-78.7	35.5	163.8	-78.8	-3.2	0	0	0	109.2	K92 E96	K92-N94 PolarHBondContact O-N 2.95Å; N94-E96 VanDerWaalsContact C-N 3.29Å; N94-E96 PolarHBondContact O-N 3.45Å; N94-E96 VanDerWaalsContact O-N 3.13Å
95	D	28.5	Very low	27.4	Very low	126 Å²	126	139.9 Å²	139.9	67%	0.674	71%	0.714	S	S	*	*			trans	-81	94.9	163.1	-70.8	-21.7	0	0	0	105.4	N93 I97	N93-D95 PolarHBondContact O-N 2.95Å; N93-D95 VanDerWaalsContact O-N 3.15Å; D95-I97 PolarHBondContact O-N 3.48Å
96	E	23.1	Very low	26.8	Very low	192 Å²	192	142.9 Å²	142.9	90%	0.897	73%	0.73	S	S	*	*			trans	-43.1	83.9	161.4	-65.6	173.3	144.8	0	0	110.4	N94 G98	N94-E96 VanDerWaalsContact C-N 3.29Å; N94-E96 PolarHBondContact O-N 3.45Å; N94-E96 VanDerWaalsContact O-N 3.13Å; E96-G98 PolarHBondContact O-N 3.13Å
97	I	25	Very low	26.1	Very low	156 Å²	156	143.4 Å²	143.4	80%	0.8	74%	0.735	S	S	*	*			trans	-90.8	100.2	161.7	-62.9	176.3	0	0	0	105.7	D95 N99	D95-I97 PolarHBondContact O-N 3.48Å; I97-N99 PolarHBondContact O-N 2.8Å
98	G	23.2	Very low	25.3	Very low	61 Å²	61	142.8 Å²	142.8	63%	0.629	74%	0.739	S	S	*	*			trans	-45.2	136.3	173.8	0	0	0	0	0	112.2	E96 K100	E96-G98 PolarHBondContact O-N 3.13Å; G98-K100 PolarHBondContact O-N 3.1Å
99	N	22.1	Very low	24.8	Very low	160 Å²	160	147.1 Å²	147.1	86%	0.856	76%	0.761	S	S	*	*			trans	-12	97.6	159.5	-74.8	-22.4	0	0	0	114.6	I97	I97-N99 PolarHBondContact O-N 2.8Å
100	K	25.8	Very low	24.4	Very low	194 Å²	194	150.3 Å²	150.3	84%	0.843	77%	0.772	S	S	*	*			trans	-126.9	102.3	149.2	-88.8	-174.5	177.1	176.3	0	108.6	G98 I102	G98-K100 PolarHBondContact O-N 3.1Å; K100-I102 PolarHBondContact O-N 2.83Å; K100-I102 VanDerWaalsContact O-N 3.17Å
101	N	23.5	Very low	24.2	Very low	160 Å²	160	154.4 Å²	154.4	86%	0.856	78%	0.778	S	S	*	*			trans	-45.2	111.9	169.3	-66.4	-28.4	0	0	0	111.2
102	I	24.3	Very low	24	Very low	133 Å²	133	154.5 Å²	154.5	68%	0.682	78%	0.78	S	S	*	*			trans	-134.2	79.4	156.5	-54.7	179.1	0	0	0	106.8	K100 Q104	K100-I102 PolarHBondContact O-N 2.83Å; K100-I102 VanDerWaalsContact O-N 3.17Å; I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 HydrophobicContact CG2-CB 4.09Å; I102-Q104 HydrophobicContact CG2-CG 3.92Å; I102-Q104 PolarHBondContact O-N 2.66Å; I102-Q104 VanDerWaalsContact O-N 3.15Å
103	M	20.2	Very low	23.9	Very low	174 Å²	174	153.8 Å²	153.8	86%	0.857	78%	0.784	S	S	*	*			trans	-65.9	97.5	152.4	-99.5	-170.5	73.7	0	0	106.6
104	Q	24.2	Very low	23.6	Very low	159 Å²	159	155.1 Å²	155.1	74%	0.743	79%	0.791	S	S	*	*			trans	-122.9	92.3	160.3	-85.8	-176.2	-15.6	0	0	108.3	I102 I106	I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 HydrophobicContact CG2-CB 4.09Å; I102-Q104 HydrophobicContact CG2-CG 3.92Å; I102-Q104 PolarHBondContact O-N 2.66Å; I102-Q104 VanDerWaalsContact O-N 3.15Å; Q104-I106 PolarHBondContact O-N 3.38Å
105	T	22.5	Very low	23.7	Very low	115 Å²	115	154.6 Å²	154.6	71%	0.706	80%	0.798	S	S	*	*			trans	-49.8	107.3	160.7	-44.8	0	0	0	0	108.7
106	I	23.8	Very low	23.4	Very low	157 Å²	157	154.4 Å²	154.4	81%	0.805	80%	0.802	S	S	*	*			trans	-93.1	101.5	169.4	-63.3	173.7	0	0	0	106.3	Q104	Q104-I106 PolarHBondContact O-N 3.38Å
107	E	22.5	Very low	23.5	Very low	172 Å²	172	151.8 Å²	151.8	80%	0.804	79%	0.792	S	S	*	*			trans	-63.4	134.5	174.3	-82.7	177.9	134.6	0	0	111.6	Q109	E107-Q109 PolarHBondContact O-N 3.26Å
108	L	20.2	Very low	23.3	Very low	171 Å²	171	150.6 Å²	150.6	90%	0.895	79%	0.787	S	S	*	*			trans	-68.1	113.2	168.6	-81.4	105	0	0	0	110.5
109	Q	22.2	Very low	23.3	Very low	188 Å²	188	155.7 Å²	155.7	88%	0.879	79%	0.794	S	S	*	*			trans	-90.6	112.5	160.9	-84.7	-173.2	-23.7	0	0	110.6	E107	E107-Q109 PolarHBondContact O-N 3.26Å
110	R	21.2	Very low	23.4	Very low	211 Å²	211	157.1 Å²	157.1	80%	0.796	79%	0.793	S	S	*	*			trans	-100	100.6	-177	-170.8	-175.3	-157.6	163.8	4.4	108.1
111	N	24.5	Very low	23.3	Very low	154 Å²	154	154.8 Å²	154.8	82%	0.824	79%	0.789	S	S	*	*			trans	-95.3	98.6	172.6	-84.2	-6.6	0	0	0	110.3
112	N	23.4	Very low	23.4	Very low	125 Å²	125	154.7 Å²	154.7	67%	0.668	79%	0.789	S	S	*	*			trans	-91.5	109.1	168.6	-86.2	-13.7	0	0	0	109
113	N	26.9	Very low	23.3	Very low	158 Å²	158	156.2 Å²	156.2	85%	0.845	79%	0.793	S	S	*	*			trans	-124.6	80.5	164.3	-76.4	-13.1	0	0	0	108.8
114	N	23.3	Very low	23.6	Very low	156 Å²	156	157.7 Å²	157.7	83%	0.834	80%	0.797	S	S	*	*			trans	-112	97.9	166.2	-81.2	-12.9	0	0	0	107.6
115	S	27.1	Very low	23.6	Very low	125 Å²	125	158 Å²	158	87%	0.874	80%	0.804	S	S	*	*			trans	-100.2	125.8	167.5	61.3	0	0	0	0	109.7
116	V	22.7	Very low	24.2	Very low	122 Å²	122	157 Å²	157	74%	0.739	80%	0.8	S	S	*	*			trans	-97	164.7	-171	-174.5	0	0	0	0	109.5
117	I	25.2	Very low	24.4	Very low	136 Å²	136	159.1 Å²	159.1	70%	0.697	81%	0.806	S	S	*	*			trans	111.1	95.9	145.6	-50.9	176.3	0	0	0	117.3
118	N	21.8	Very low	24.4	Very low	131 Å²	131	161.3 Å²	161.3	70%	0.701	81%	0.808	S	S	*	*				45.9	150.7	116.9	-58.3	-16	0	0	0	125
119	H	22.3	Very low	24.6	Very low	168 Å²	168	165.1 Å²	165.1	78%	0.778	81%	0.811	S	S	*	*			trans	100.4	111.1	146	-71.3	-73.4	0	0	0	118.2
120	K	25	Very low	24.7	Very low	191 Å²	191	160.9 Å²	160.9	83%	0.83	80%	0.802	S	S	*	*				-178.7	128.5	94	-111.2	173.2	174	179.4	0	111.5
121	L	22.3	Very low	24.8	Very low	144 Å²	144	162.7 Å²	162.7	75%	0.754	81%	0.809	S	S	*	*			trans	-80.7	141.7	160.4	-88.6	88.4	0	0	0	108.3
122	D	25.8	Very low	24.7	Very low	159 Å²	159	163 Å²	163	85%	0.85	81%	0.811	S	S	*	*			trans	-125.4	123.7	157.6	-86.7	-40.2	0	0	0	109.9
123	H	23.3	Very low	24.8	Very low	165 Å²	165	163.6 Å²	163.6	76%	0.764	82%	0.818	S	S	*	*			trans	-84.7	139.1	171.8	-78.4	-66.8	0	0	0	109.7
124	Q	25.7	Very low	24.7	Very low	204 Å²	204	160.3 Å²	160.3	95%	0.953	81%	0.808	S	S	*	*			trans	-148	138.5	151.3	-108.3	168.9	30.8	0	0	111.3
125	N	24.6	Very low	24.6	Very low	166 Å²	166	163.7 Å²	163.7	89%	0.888	81%	0.811	S	S	*	*			trans	-89.4	-179	-162.4	-130.2	7	0	0	0	112.1
126	P	35.6	Very low	24.3	Very low	95 Å²	95	168.4 Å²	168.4	62%	0.617	81%	0.809	S	S	*	*			trans	-102.9	168.2	-150	42.6	-38.8	0	0	0	113.5
127	E	26.5	Very low	24.3	Very low	200 Å²	200	169.1 Å²	169.1	94%	0.935	81%	0.809	S	S	*	*			trans	-151.5	136	149.9	-118.3	174.3	-156.6	0	0	113.1
128	Y	24.1	Very low	24.1	Very low	218 Å²	218	173.9 Å²	173.9	86%	0.855	82%	0.818	S	S	*	*			trans	-73.2	137.3	-173.2	-95.3	-115.2	0	0	0	113
129	R	22.8	Very low	24.1	Very low	251 Å²	251	173.2 Å²	173.2	95%	0.947	82%	0.824	S	S	*	*			trans	-151.6	102.9	140.6	-130.7	176.8	-171.4	179.9	4.2	112
130	S	24.4	Very low	24.2	Very low	100 Å²	100	171.5 Å²	171.5	70%	0.699	82%	0.82	S	S	*	*			trans	-70.5	124.4	168.6	47.6	0	0	0	0	111.5
131	R	23.6	Very low	24.1	Very low	248 Å²	248	166.9 Å²	166.9	94%	0.936	81%	0.813	S	S	*	*			trans	-140.6	104.6	150.1	-112.8	-177.6	-173.2	178.2	1.9	109.3	V133	R131-V133 PolarHBondContact O-N 3.43Å
132	N	23.4	Very low	24.2	Very low	162 Å²	162	167.3 Å²	167.3	87%	0.866	82%	0.815	S	S	*	*			trans	-59.9	120.1	166.5	-72.6	-24.8	0	0	0	109.7
133	V	25.3	Very low	24.2	Very low	136 Å²	136	164.7 Å²	164.7	82%	0.824	81%	0.805	S	S	*	*			trans	-136.4	122.7	148.4	-179.2	0	0	0	0	107.5	R131	R131-V133 PolarHBondContact O-N 3.43Å
134	S	24.2	Very low	24.3	Very low	89 Å²	89	166 Å²	166	62%	0.622	81%	0.811	S	S	*	*			trans	-69	121.6	-171.6	45.8	0	0	0	0	113.4	W136	S134-W136 PolarHBondContact O-N 2.81Å
135	Y	21.4	Very low	24.3	Very low	228 Å²	228	162.4 Å²	162.4	89%	0.894	80%	0.798	S	S	*	*			trans	6.4	98.5	142.5	-64.5	-88	0	0	0	117
136	W	20.7	Very low	24.2	Very low	223 Å²	223	161.6 Å²	161.6	85%	0.845	79%	0.794	S	S	*	*			trans	-130.2	108	156	-88.4	72.6	0	0	0	109.5	S134	S134-W136 PolarHBondContact O-N 2.81Å
137	N	21.9	Very low	23.9	Very low	138 Å²	138	162.9 Å²	162.9	74%	0.738	80%	0.8	S	S	*	*			trans	28.1	101.1	143.4	-63.9	-22.1	0	0	0	118.2
138	R	21	Very low	23.8	Very low	235 Å²	235	160.7 Å²	160.7	89%	0.887	80%	0.795	S	S	*	*			trans	152.7	105.3	135.2	-92.7	175.7	172.6	179.5	-1.7	110.5
139	S	23	Very low	24	Very low	117 Å²	117	154.1 Å²	154.1	82%	0.818	78%	0.781	S	S	*	*			trans	-138.1	98.5	152.5	39.8	0	0	0	0	104.1
140	N	23.4	Very low	24.2	Very low	132 Å²	132	148.6 Å²	148.6	71%	0.706	78%	0.776	S	S	*	*				32.9	97	60.6	-82.3	18.2	0	0	0	110.9
141	S	22.9	Very low	24.4	Very low	95 Å²	95	149.5 Å²	149.5	66%	0.664	77%	0.772	S	S	*	*			trans	33.4	108.5	135.7	57.4	0	0	0	0	114.6
142	D	24.2	Very low	24.4	Very low	152 Å²	152	144.2 Å²	144.2	81%	0.813	76%	0.763	S	S	*	*				-169.6	131	126.9	-94.3	-26.2	0	0	0	111.7
143	V	25.8	Very low	24.6	Very low	105 Å²	105	141.8 Å²	141.8	64%	0.636	76%	0.756	S	S	*	*			trans	61.9	83.1	144.6	-169.7	0	0	0	0	114.7	N145	V143-N145 PolarHBondContact O-N 3.44Å
144	H	25.2	Very low	24.6	Very low	191 Å²	191	143.5 Å²	143.5	88%	0.884	75%	0.752	S	S	*	*			trans	-65.4	103.8	151.6	-105.8	-45.9	0	0	0	107.9	N146	H144-N146 PolarHBondContact O-N 2.82Å; H144-N146 VanDerWaalsContact O-N 3.16Å
145	N	26	Very low	24.6	Very low	129 Å²	129	145.9 Å²	145.9	69%	0.69	76%	0.757	S	S	*	*			trans	-57.3	115.7	170.5	-82.5	-30.7	0	0	0	109.5	V143 T147	V143-N145 PolarHBondContact O-N 3.44Å; N145-T147 VanDerWaalsContact C-N 3.29Å; N145-T147 PolarHBondContact O-N 3.21Å
146	N	23.6	Very low	24.7	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	76%	0.755	S	S	*	*			trans	-60.7	89.5	164.5	-69.6	-25.2	0	0	0	108.7	H144	H144-N146 PolarHBondContact O-N 2.82Å; H144-N146 VanDerWaalsContact O-N 3.16Å
147	T	27.7	Very low	24.9	Very low	122 Å²	122	138.8 Å²	138.8	75%	0.748	74%	0.741	S	S	*	*			trans	-95.4	94.8	157.4	40	0	0	0	0	107.3	N145 S149	N145-T147 VanDerWaalsContact C-N 3.29Å; N145-T147 PolarHBondContact O-N 3.21Å; T147-S149 PolarHBondContact O-N 2.96Å
148	D	24.8	Very low	25.1	Very low	154 Å²	154	136.5 Å²	136.5	82%	0.824	73%	0.729	S	S	*	*			trans	-54.7	77.8	166.7	-70.9	-39.9	0	0	0	110
149	S	27.8	Very low	25.5	Very low	80 Å²	80	129.9 Å²	129.9	56%	0.559	71%	0.714	S	S	*	*			trans	-92.9	112.3	158.5	74.9	0	0	0	0	106.6	T147 N151	T147-S149 PolarHBondContact O-N 2.96Å; S149-N151 PolarHBondContact O-N 2.92Å; S149-N151 PolarHBondContact OG-ND2 3.42Å
150	T	27.3	Very low	25.9	Very low	136 Å²	136	128.2 Å²	128.2	83%	0.834	70%	0.703	S	S	*	*			trans	-63	48.5	173.6	50.9	0	0	0	0	112	D152	T150-D152 PolarHBondContact O-N 3.35Å
151	N	28.6	Very low	26.3	Very low	118 Å²	118	129.2 Å²	129.2	63%	0.631	70%	0.701	S	S	*	*			trans	-85.3	96.6	168.7	-70.9	-28.9	0	0	0	105.1	S149	S149-N151 PolarHBondContact O-N 2.92Å; S149-N151 PolarHBondContact OG-ND2 3.42Å
152	D	24.4	Very low	26.6	Very low	138 Å²	138	129.2 Å²	129.2	74%	0.738	69%	0.693	S	S	*	*			trans	-31.9	127.8	168.2	-83.9	-42.2	0	0	0	109.3	T150 F154	T150-D152 PolarHBondContact O-N 3.35Å; D152-F154 PolarHBondContact O-N 3.27Å
153	P	27.4	Very low	26.9	Very low	110 Å²	110	126.4 Å²	126.4	71%	0.714	68%	0.677	S	S	*	*			trans	-57.6	108.4	-175.3	23.4	-31.3	0	0	0	106.4	I155	P153-I155 PolarHBondContact O-N 3.08Å
154	F	24.7	Very low	27.2	Very low	172 Å²	172	128 Å²	128	75%	0.754	68%	0.677	S	S	*	*			trans	-58.5	94.6	166.5	-81.1	-84.3	0	0	0	104.7	D152 F156	D152-F154 PolarHBondContact O-N 3.27Å; F154-F156 HydrophobicContact CB-CD2 4.39Å; F154-F156 HydrophobicContact CB-CE2 4.21Å; F154-F156 WeakPolarHBondContact O-CD2 3.27Å; F154-F156 PolarHBondContact O-N 3.43Å
155	I	24	Very low	27.4	Very low	140 Å²	140	128.3 Å²	128.3	72%	0.718	67%	0.671	S	S	*	*			trans	-62.8	95.6	168.7	-61.8	174.8	0	0	0	102.7	P153 I157	P153-I155 PolarHBondContact O-N 3.08Å; I155-I157 HydrophobicContact CG2-CG1 3.94Å; I155-I157 PolarHBondContact O-N 2.9Å
156	F	24.5	Very low	27.6	Very low	193 Å²	193	128.4 Å²	128.4	85%	0.846	67%	0.667	S	S	*	*			trans	-63.2	88.5	167.2	-82.7	-85.9	0	0	0	105.8	F154 N158	F154-F156 HydrophobicContact CB-CD2 4.39Å; F154-F156 HydrophobicContact CB-CE2 4.21Å; F154-F156 WeakPolarHBondContact O-CD2 3.27Å; F154-F156 PolarHBondContact O-N 3.43Å; F156-N158 VanDerWaalsContact C-N 3.25Å; F156-N158 PolarHBondContact O-N 3.05Å
157	I	25.4	Very low	27.9	Very low	109 Å²	109	129.3 Å²	129.3	56%	0.559	66%	0.664	S	S	*	*			trans	-65.4	99.8	167.8	-61.2	172.6	0	0	0	103.9	I155 V159 L162	I155-I157 HydrophobicContact CG2-CG1 3.94Å; I155-I157 PolarHBondContact O-N 2.9Å; I157-V159 VanDerWaalsContact C-N 3.28Å; I157-V159 WeakPolarHBondContact O-CG2 3.35Å; I157-V159 PolarHBondContact O-N 3.04Å; I157-L162 HydrophobicContact CG2-CD1 3.91Å
158	N	26.2	Very low	28	Very low	90 Å²	90	133.5 Å²	133.5	48%	0.481	67%	0.666	S	S	.	*			trans	-58.1	96.8	174.7	-175.6	-19.9	0	0	0	107.7	F156 S160 K161 L162	F156-N158 VanDerWaalsContact C-N 3.25Å; F156-N158 PolarHBondContact O-N 3.05Å; N158-S160 PolarHBondContact O-N 2.91Å; N158-S160 VanDerWaalsContact O-N 3.09Å; N158-S160 WeakPolarHBondContact OD1-CB 2.88Å; N158-S160 PolarHBondContact OD1-N 3.11Å; N158-S160 PolarHBondContact OD1-OG 3.3Å; N158-K161 PolarHBondContact O-N 2.87Å; N158-L162 PolarHBondContact O-N 2.87Å
159	V	29.2	Very low	28.5	Very low	95 Å²	95	133.9 Å²	133.9	58%	0.576	66%	0.663	S	S	*	*	H	α-helix	trans	-57.8	-28.5	-173.7	-171.8	0	0	0	0	110.4	I157 K161 L162 L163	I157-V159 VanDerWaalsContact C-N 3.28Å; I157-V159 WeakPolarHBondContact O-CG2 3.35Å; I157-V159 PolarHBondContact O-N 3.04Å; V159-K161 VanDerWaalsContact C-N 3.32Å; V159-K161 PolarHBondContact O-N 3.42Å; V159-L162 PolarHBondContact O-N 3.12Å; V159-L162 VanDerWaalsContact O-N 3.09Å; V159-L163 HydrophobicContact CG1-CD1 4.01Å; V159-L163 HydrophobicContact CG1-CG 4.34Å; V159-L163 WeakPolarHBondContact O-CB 3.27Å; V159-L163 WeakPolarHBondContact O-CG 3.17Å; V159-L163 PolarHBondContact O-N 3.34Å
160	S	30.6	Very low	28.7	Very low	83 Å²	83	135.9 Å²	135.9	58%	0.58	67%	0.671	S	S	*	*	H	α-helix	trans	-56.2	-42.1	173.2	-20.4	0	0	0	0	112.6	N158 E164	N158-S160 PolarHBondContact O-N 2.91Å; N158-S160 VanDerWaalsContact O-N 3.09Å; N158-S160 WeakPolarHBondContact OD1-CB 2.88Å; N158-S160 PolarHBondContact OD1-N 3.11Å; N158-S160 PolarHBondContact OD1-OG 3.3Å; S160-E164 PolarHBondContact O-N 3.28Å; S160-E164 VanDerWaalsContact O-N 3.08Å
161	K	31.6	Very low	28.8	Very low	153 Å²	153	133.6 Å²	133.6	67%	0.665	66%	0.659	S	S	*	*	H	α-helix	trans	-73.2	-29.5	176.8	-94.1	-176.5	175.9	175.3	0	112.6	N158 V159 R165	N158-K161 PolarHBondContact O-N 2.87Å; V159-K161 VanDerWaalsContact C-N 3.32Å; V159-K161 PolarHBondContact O-N 3.42Å; K161-R165 PolarHBondContact O-N 2.82Å
162	L	29.4	Very low	29.2	Very low	95 Å²	95	131.3 Å²	131.3	50%	0.497	65%	0.652	S	S	.	*	H	α-helix	trans	-72	-42.1	175.2	-136.6	92	0	0	0	110.8	I157 N158 V159 E164 R165 E166	I157-L162 HydrophobicContact CG2-CD1 3.91Å; N158-L162 PolarHBondContact O-N 2.87Å; V159-L162 PolarHBondContact O-N 3.12Å; V159-L162 VanDerWaalsContact O-N 3.09Å; L162-E164 VanDerWaalsContact C-N 3.27Å; L162-E164 PolarHBondContact O-N 3.43Å; L162-R165 WeakPolarHBondContact O-CA 3.44Å; L162-R165 WeakPolarHBondContact O-CB 3.27Å; L162-R165 PolarHBondContact O-N 2.9Å; L162-E166 PolarHBondContact O-N 2.95Å
163	L	30.4	Very low	29.7	Very low	92 Å²	92	126.2 Å²	126.2	48%	0.482	63%	0.626	S	S	.	*	H	α-helix	trans	-63.7	-32	174.9	-78.3	163.4	0	0	0	112.2	V159 R165 E166 K167	V159-L163 HydrophobicContact CG1-CD1 4.01Å; V159-L163 HydrophobicContact CG1-CG 4.34Å; V159-L163 WeakPolarHBondContact O-CB 3.27Å; V159-L163 WeakPolarHBondContact O-CG 3.17Å; V159-L163 PolarHBondContact O-N 3.34Å; L163-R165 VanDerWaalsContact C-N 3.27Å; L163-R165 PolarHBondContact O-N 3.36Å; L163-E166 PolarHBondContact O-N 2.94Å; L163-K167 PolarHBondContact O-N 3.06Å
164	E	32.3	Very low	29.9	Very low	138 Å²	138	123.6 Å²	123.6	65%	0.645	61%	0.614	S	S	*	*	H	α-helix	trans	-67.5	-30.1	173.3	-141	177.7	-160.5	0	0	112.4	S160 L162	S160-E164 PolarHBondContact O-N 3.28Å; S160-E164 VanDerWaalsContact O-N 3.08Å; L162-E164 VanDerWaalsContact C-N 3.27Å; L162-E164 PolarHBondContact O-N 3.43Å
165	R	29.7	Very low	30.2	Very low	198 Å²	198	121.9 Å²	121.9	75%	0.747	61%	0.608	S	S	*	*	H	α-helix	trans	-73.2	-37.3	169.7	-97.1	-176.5	177	156.5	1.2	112.4	K161 L162 L163 K167 R168	K161-R165 PolarHBondContact O-N 2.82Å; L162-R165 WeakPolarHBondContact O-CA 3.44Å; L162-R165 WeakPolarHBondContact O-CB 3.27Å; L162-R165 PolarHBondContact O-N 2.9Å; L163-R165 VanDerWaalsContact C-N 3.27Å; L163-R165 PolarHBondContact O-N 3.36Å; R165-K167 VanDerWaalsContact C-N 3.31Å; R165-K167 PolarHBondContact O-N 3.08Å; R165-R168 WeakPolarHBondContact O-CB 3.14Å; R165-R168 PolarHBondContact O-N 3.26Å; R165-R168 VanDerWaalsContact O-N 3.11Å
166	E	30.1	Very low	30.6	Very low	132 Å²	132	122.1 Å²	122.1	62%	0.617	60%	0.6	S	S	*	*	H	α-helix	trans	-72.1	-21.7	175.7	-75.9	-169.2	155.4	0	0	113.6	L162 L163 R168	L162-E166 PolarHBondContact O-N 2.95Å; L163-E166 PolarHBondContact O-N 2.94Å; E166-R168 PolarHBondContact O-N 2.84Å
167	K	29.7	Very low	31.1	Very low	168 Å²	168	116.4 Å²	116.4	73%	0.73	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-9.4	166.8	-80.4	-176.9	177.7	179.1	0	113.3	L163 R165 H169	L163-K167 PolarHBondContact O-N 3.06Å; R165-K167 VanDerWaalsContact C-N 3.31Å; R165-K167 PolarHBondContact O-N 3.08Å; K167-H169 PolarHBondContact O-N 2.78Å; K167-H169 PolarHBondContact O-ND1 2.99Å
168	R	30.5	Very low	31.2	Very low	210 Å²	210	116.3 Å²	116.3	79%	0.792	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	69	163.4	-58.7	-169.7	-174.5	-164.1	0.2	111	R165 E166 V170	R165-R168 WeakPolarHBondContact O-CB 3.14Å; R165-R168 PolarHBondContact O-N 3.26Å; R165-R168 VanDerWaalsContact O-N 3.11Å; E166-R168 PolarHBondContact O-N 2.84Å; R168-V170 PolarHBondContact O-N 2.91Å; R168-V170 VanDerWaalsContact O-N 3.16Å
169	H	34.4	Very low	31.4	Very low	161 Å²	161	115.2 Å²	115.2	75%	0.745	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.4	29.5	137.3	-74.2	51.3	0	0	0	119.5	K167	K167-H169 PolarHBondContact O-N 2.78Å; K167-H169 PolarHBondContact O-ND1 2.99Å
170	V	31.9	Very low	31.4	Very low	122 Å²	122	113.8 Å²	113.8	74%	0.739	57%	0.57	S	S	*	*			trans	-142.9	103.1	160.4	-165.6	0	0	0	0	109.5	R168 S172	R168-V170 PolarHBondContact O-N 2.91Å; R168-V170 VanDerWaalsContact O-N 3.16Å; V170-S172 PolarHBondContact O-N 2.84Å; V170-S172 VanDerWaalsContact O-N 3.16Å
171	P	30.6	Very low	31.3	Very low	89 Å²	89	115.5 Å²	115.5	58%	0.578	57%	0.572	S	S	*	*			trans	-60.6	119	170.2	-15.4	28.1	0	0	0	108.7	V173 Y176	P171-V173 PolarHBondContact O-N 3.16Å; P171-V173 VanDerWaalsContact O-N 3.09Å; P171-Y176 HydrophobicContact CB-CE2 3.92Å
172	S	35.6	Very low	31.2	Very low	70 Å²	70	113.7 Å²	113.7	49%	0.49	57%	0.574	S	S	.	*			trans	-59	114.1	168.1	170.1	0	0	0	0	108	V170 A174 H175	V170-S172 PolarHBondContact O-N 2.84Å; V170-S172 VanDerWaalsContact O-N 3.16Å; S172-A174 PolarHBondContact O-N 2.81Å; S172-H175 WeakPolarHBondContact O-CB 3.5Å; S172-H175 PolarHBondContact O-N 2.79Å
173	V	36.7	Very low	31.2	Very low	30 Å²	30	112.4 Å²	112.4	18%	0.182	58%	0.577	C	S	.	*	H	α-helix	trans	-56.8	-25.3	-179.4	178	0	0	0	0	111.4	P171 H175 Y176 I177 V241 I245	P171-V173 PolarHBondContact O-N 3.16Å; P171-V173 VanDerWaalsContact O-N 3.09Å; V173-H175 PolarHBondContact O-N 3.49Å; V173-Y176 PolarHBondContact O-N 2.72Å; V173-I177 HydrophobicContact CG1-CD1 4.33Å; V173-I177 PolarHBondContact O-N 3.38Å; V173-V241 HydrophobicContact CG1-CG1 4.4Å; V173-V241 HydrophobicContact CG2-CG1 3.93Å; V173-I245 HydrophobicContact CG1-CD1 3.76Å
174	A	31.2	Very low	31.1	Very low	56 Å²	56	113 Å²	113	46%	0.463	58%	0.58	S	S	.	*	H	α-helix	trans	-58.8	-27.9	173.2	0	0	0	0	0	113.4	S172 L178	S172-A174 PolarHBondContact O-N 2.81Å; A174-L178 PolarHBondContact O-N 3.2Å
175	H	31.4	Very low	30.8	Very low	135 Å²	135	117.1 Å²	117.1	63%	0.625	59%	0.59	S	S	*	*	H	α-helix	trans	-70.3	-32.5	175.5	-159.9	-36	0	0	0	111.9	S172 V173	S172-H175 WeakPolarHBondContact O-CB 3.5Å; S172-H175 PolarHBondContact O-N 2.79Å; V173-H175 PolarHBondContact O-N 3.49Å
176	Y	32	Very low	30.8	Very low	145 Å²	145	117.3 Å²	117.3	57%	0.569	60%	0.596	S	S	*	*	H	α-helix	trans	-72	-35.9	177.4	-81.4	-81.2	0	0	0	112	P171 V173 P180	P171-Y176 HydrophobicContact CB-CE2 3.92Å; V173-Y176 PolarHBondContact O-N 2.72Å; Y176-P180 VanDerWaalsContact O-CD 3.26Å; Y176-P180 WeakPolarHBondContact O-CD 3.47Å
177	I	33.8	Very low	30.7	Very low	73 Å²	73	119 Å²	119	37%	0.374	60%	0.602	S	S	.	*	H	α-helix	trans	-76.8	-29.1	-178	-57.6	174.7	0	0	0	112.9	V173 P180 F266	V173-I177 HydrophobicContact CG1-CD1 4.33Å; V173-I177 PolarHBondContact O-N 3.38Å; I177-P180 WeakPolarHBondContact O-CD 3.46Å; I177-F266 HydrophobicContact CD1-CE1 4.22Å
178	L	28.2	Very low	30.4	Very low	108 Å²	108	118 Å²	118	57%	0.565	60%	0.604	S	S	*	*	H	α-helix	trans	-81.3	-21.4	-179	-73.1	170.4	0	0	0	113.9	A174 L181 V182	A174-L178 PolarHBondContact O-N 3.2Å; L178-L181 HydrophobicContact CD2-CD1 4.48Å; L178-L181 PolarHBondContact O-N 2.78Å; L178-V182 PolarHBondContact O-N 2.8Å
179	S	29.5	Very low	30.3	Very low	67 Å²	67	113.2 Å²	113.2	47%	0.469	60%	0.6	S	S	.	*	H	α-helix	trans	-64.7	-38.2	-178	-80.4	0	0	0	0	114.3	A183	S179-A183 WeakPolarHBondContact O-CB 3.41Å; S179-A183 PolarHBondContact O-N 2.76Å; S179-A183 VanDerWaalsContact O-N 3.12Å
180	P	29.1	Very low	29.9	Very low	64 Å²	64	113.4 Å²	113.4	42%	0.416	60%	0.601	S	S	.	*	H	α-helix	trans	-69.4	-30.7	173.9	-20.6	32.2	0	0	0	113.8	Y176 I177 V182 A183 N184	Y176-P180 VanDerWaalsContact O-CD 3.26Å; Y176-P180 WeakPolarHBondContact O-CD 3.47Å; I177-P180 WeakPolarHBondContact O-CD 3.46Å; P180-V182 VanDerWaalsContact C-N 3.32Å; P180-V182 PolarHBondContact O-N 2.78Å; P180-A183 PolarHBondContact O-N 2.81Å; P180-N184 WeakPolarHBondContact O-CB 3.48Å; P180-N184 PolarHBondContact O-N 2.92Å
181	L	28.6	Very low	29.4	Very low	119 Å²	119	114.5 Å²	114.5	62%	0.623	60%	0.603	S	S	*	*	H	α-helix	trans	-71.2	-28	179.8	-74.8	171.8	0	0	0	112.7	L178	L178-L181 HydrophobicContact CD2-CD1 4.48Å; L178-L181 PolarHBondContact O-N 2.78Å
182	V	30.6	Very low	29	Very low	115 Å²	115	121.7 Å²	121.7	70%	0.697	62%	0.62	S	S	*	*	H	α-helix	trans	-82	-34.4	171.5	-173.7	0	0	0	0	111.1	L178 P180 N184	L178-V182 PolarHBondContact O-N 2.8Å; P180-V182 VanDerWaalsContact C-N 3.32Å; P180-V182 PolarHBondContact O-N 2.78Å; V182-N184 VanDerWaalsContact C-N 3.35Å; V182-N184 PolarHBondContact O-N 2.75Å
183	A	29.5	Very low	28.2	Very low	68 Å²	68	125 Å²	125	56%	0.562	64%	0.637	S	S	*	*	H	α-helix	trans	-70.3	-28	178	0	0	0	0	0	113.6	S179 P180 R185	S179-A183 WeakPolarHBondContact O-CB 3.41Å; S179-A183 PolarHBondContact O-N 2.76Å; S179-A183 VanDerWaalsContact O-N 3.12Å; P180-A183 PolarHBondContact O-N 2.81Å; A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 2.78Å
184	N	27.4	Very low	27.5	Very low	104 Å²	104	127.8 Å²	127.8	56%	0.556	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-78.6	-2.8	-179.2	-82.5	-18.1	0	0	0	115.2	P180 V182 K186 K187	P180-N184 WeakPolarHBondContact O-CB 3.48Å; P180-N184 PolarHBondContact O-N 2.92Å; V182-N184 VanDerWaalsContact C-N 3.35Å; V182-N184 PolarHBondContact O-N 2.75Å; N184-K186 PolarHBondContact O-N 3.23Å; N184-K187 PolarHBondContact O-N 2.73Å
185	R	25.4	Very low	27	Very low	225 Å²	225	132.5 Å²	132.5	85%	0.849	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-72.5	1.4	170.8	-79.4	-164.3	-179.9	-172.2	0.6	114.9	A183	A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 2.78Å
186	K	30.3	Very low	26.5	Very low	203 Å²	203	131.9 Å²	131.9	88%	0.883	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-98.4	9.6	172.9	-75.5	-167.4	175.9	-175.5	0	114.6	N184	N184-K186 PolarHBondContact O-N 3.23Å
187	K	28.4	Very low	26	Very low	168 Å²	168	129.7 Å²	129.7	73%	0.73	69%	0.686	S	S	*	*			trans	-127.9	53.3	179	-67.2	-174.6	178.5	180	0	112	N184 P189	N184-K187 PolarHBondContact O-N 2.73Å; K187-P189 WeakPolarHBondContact O-CD 3.45Å
188	D	24.2	Very low	25.3	Very low	146 Å²	146	131.3 Å²	131.3	78%	0.781	70%	0.704	S	S	*	*			trans	-89.2	108.5	155	-90	-38.9	0	0	0	107.7
189	P	27.8	Very low	25	Very low	109 Å²	109	132 Å²	132	71%	0.708	72%	0.718	S	S	*	*			trans	-92	7.9	-179.4	12.3	7.8	0	0	0	113	K187 N191	K187-P189 WeakPolarHBondContact O-CD 3.45Å; P189-N191 PolarHBondContact O-N 3.28Å
190	H	25.2	Very low	24.5	Very low	166 Å²	166	134.4 Å²	134.4	77%	0.769	74%	0.735	S	S	*	*			trans	-93.1	69.2	178.1	-65.9	-49.9	0	0	0	111.7
191	N	22.6	Very low	24.3	Very low	144 Å²	144	137.2 Å²	137.2	77%	0.77	76%	0.756	S	S	*	*	S	Bend	trans	173.2	77.7	151.5	-97.1	-19.4	0	0	0	108.7	P189	P189-N191 PolarHBondContact O-N 3.28Å
192	Y	22.3	Very low	23.9	Very low	240 Å²	240	138.4 Å²	138.4	94%	0.941	77%	0.768	S	S	*	*			trans	-160.3	80.8	150	-89.4	-65.8	0	0	0	107.9	S194	Y192-S194 PolarHBondContact O-N 3.1Å
193	V	18.8	Very low	23.6	Very low	139 Å²	139	138.8 Å²	138.8	84%	0.842	78%	0.776	S	S	*	*			trans	-70.5	115.3	153.9	171.9	0	0	0	0	105.9
194	S	20.3	Very low	23.3	Very low	89 Å²	89	140.8 Å²	140.8	62%	0.622	79%	0.786	S	S	*	*			trans	158.1	122.2	138.5	-74.9	0	0	0	0	112.1	Y192	Y192-S194 PolarHBondContact O-N 3.1Å
195	L	21	Very low	23	Very low	156 Å²	156	144 Å²	144	82%	0.817	80%	0.802	S	S	*	*			trans	62.6	114.9	133.1	-56.9	167.4	0	0	0	115.6
196	T	21.9	Very low	23	Very low	122 Å²	122	138.6 Å²	138.6	75%	0.748	80%	0.796	S	S	*	*			cis	-175.7	148.3	44.6	40.2	0	0	0	0	111.2
197	S	21.2	Very low	22.6	Very low	99 Å²	99	137 Å²	137	69%	0.692	80%	0.797	S	S	*	*			trans	51.6	102.5	142.6	61.8	0	0	0	0	122.6
198	S	18.8	Very low	22.3	Very low	106 Å²	106	136 Å²	136	74%	0.741	81%	0.805	S	S	*	*				35.7	122.2	117.4	60.7	0	0	0	0	120.7
199	S	22.3	Very low	22.1	Very low	124 Å²	124	140.3 Å²	140.3	87%	0.867	81%	0.812	S	S	*	*				179.5	126.9	108.6	39.3	0	0	0	0	111.5
200	S	19.4	Very low	21.8	Very low	117 Å²	117	139 Å²	139	82%	0.818	82%	0.818	S	S	*	*			trans	-85.7	136.6	174.6	47	0	0	0	0	110.8
201	S	23.8	Very low	21.6	Very low	123 Å²	123	136.6 Å²	136.6	86%	0.86	82%	0.82	S	S	*	*			trans	-153.1	114.6	152.7	45.9	0	0	0	0	111
202	T	20.2	Very low	21.7	Very low	144 Å²	144	137.6 Å²	137.6	88%	0.883	82%	0.82	S	S	*	*			trans	-93.7	129	170.8	30	0	0	0	0	108.4
203	S	24.6	Very low	21.9	Very low	122 Å²	122	133.2 Å²	133.2	85%	0.853	81%	0.812	S	S	*	*			trans	-150.4	129.7	156.9	60.7	0	0	0	0	111.3
204	S	23.1	Very low	22	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	81%	0.814	S	S	*	*			trans	-84.4	145.3	179.1	48.3	0	0	0	0	111.6
205	L	22.5	Very low	22.2	Very low	173 Å²	173	139.1 Å²	139.1	91%	0.906	83%	0.825	S	S	*	*			trans	-158.9	126.3	155.5	-100.5	150.3	0	0	0	110.3
206	P	24.6	Very low	22.3	Very low	111 Å²	111	141.6 Å²	141.6	72%	0.721	83%	0.829	S	S	*	*			trans	-107.2	141.5	-176.3	35.6	-26.6	0	0	0	115.3
207	L	22.7	Very low	22.6	Very low	170 Å²	170	144 Å²	144	89%	0.89	83%	0.832	S	S	*	*			trans	37.2	103.8	143.3	-69.3	157.4	0	0	0	120.1
208	T	21.6	Very low	22.6	Very low	146 Å²	146	149.1 Å²	149.1	90%	0.896	84%	0.842	S	S	*	*			trans	-105	121.9	164.6	-6.5	0	0	0	0	110.8
209	Y	20	Very low	23	Very low	237 Å²	237	151.3 Å²	151.3	93%	0.929	85%	0.845	S	S	*	*			trans	-77.2	120.1	171.5	-103.4	-100.5	0	0	0	110.2
210	G	22	Very low	23.2	Very low	82 Å²	82	151.9 Å²	151.9	85%	0.845	84%	0.838	S	S	*	*			trans	-108.9	114	171	0	0	0	0	0	110.9
211	S	20.6	Very low	23.3	Very low	114 Å²	114	156 Å²	156	80%	0.797	84%	0.841	S	S	*	*			trans	-99.3	157.4	171	177.4	0	0	0	0	109.7
212	Q	23.1	Very low	23.5	Very low	165 Å²	165	159.5 Å²	159.5	77%	0.771	84%	0.841	S	S	*	*			trans	93.5	108.7	170.2	-48.9	-158.2	5.2	0	0	117.7
213	N	26.4	Very low	23.5	Very low	148 Å²	148	156.6 Å²	156.6	79%	0.791	84%	0.84	S	S	*	*				179	113.7	105.7	-89.6	-31.3	0	0	0	111.7
214	S	22.4	Very low	23.6	Very low	125 Å²	125	156.2 Å²	156.2	87%	0.874	83%	0.832	S	S	*	*			trans	-77	114.5	165.9	53.9	0	0	0	0	109.9
215	R	24.5	Very low	23.6	Very low	227 Å²	227	156.2 Å²	156.2	86%	0.857	83%	0.832	S	S	*	*			trans	-123.9	115.6	167.4	-141.8	176.4	-166.9	174.9	2.8	109.5	E217	R215-E217 PolarHBondContact O-N 2.65Å
216	K	23	Very low	23.8	Very low	209 Å²	209	153.9 Å²	153.9	91%	0.909	83%	0.825	S	S	*	*			trans	-68.2	117.7	171.7	-72.5	170	174.1	171.8	0	108.8
217	E	27.4	Very low	23.7	Very low	171 Å²	171	158.9 Å²	158.9	80%	0.799	83%	0.83	S	S	*	*			trans	-131.6	111.8	157.8	-82.1	-175.1	169.6	0	0	109.5	R215	R215-E217 PolarHBondContact O-N 2.65Å
218	K	21.4	Very low	23.8	Very low	207 Å²	207	156.4 Å²	156.4	90%	0.9	82%	0.824	S	S	*	*			trans	-84.6	116.9	162.6	-79.9	177.4	172.4	179.2	0	106.7
219	L	27.8	Very low	24	Very low	153 Å²	153	160.5 Å²	160.5	80%	0.801	82%	0.823	S	S	*	*			trans	-150.7	113.5	159.9	-121.1	116.2	0	0	0	112
220	N	25.6	Very low	24.1	Very low	136 Å²	136	158.2 Å²	158.2	73%	0.727	82%	0.818	S	S	*	*			trans	34.1	116.7	141.1	-63.8	-17.3	0	0	0	121.3	F222	N220-F222 PolarHBondContact O-N 2.88Å
221	K	22.8	Very low	24.3	Very low	204 Å²	204	161.7 Å²	161.7	89%	0.887	82%	0.816	S	S	*	*				16.1	99.4	127.8	-68.5	178.4	177	178.1	0	116
222	F	26.7	Very low	24.5	Very low	195 Å²	195	161.8 Å²	161.8	86%	0.855	81%	0.812	S	S	*	*			trans	-131.2	111.1	139.4	-96.9	-83.2	0	0	0	108.2	N220 T224	N220-F222 PolarHBondContact O-N 2.88Å; F222-T224 PolarHBondContact O-N 3.4Å; F222-T224 VanDerWaalsContact O-N 3.09Å
223	G	20.8	Very low	24.6	Very low	83 Å²	83	158.6 Å²	158.6	86%	0.856	81%	0.808	S	S	*	*			trans	-69.8	96.9	166.7	0	0	0	0	0	108.6
224	T	27.1	Very low	24.5	Very low	114 Å²	114	158 Å²	158	70%	0.699	80%	0.8	S	S	*	*			trans	-96.4	115.1	156.1	46.6	0	0	0	0	107.1	F222 V226	F222-T224 PolarHBondContact O-N 3.4Å; F222-T224 VanDerWaalsContact O-N 3.09Å; T224-V226 PolarHBondContact O-N 3.48Å
225	S	21.8	Very low	24.6	Very low	110 Å²	110	156.6 Å²	156.6	77%	0.769	79%	0.791	S	S	*	*			trans	-51.5	88.2	166.4	140.9	0	0	0	0	108.9	R227	S225-R227 VanDerWaalsContact C-N 3.27Å; S225-R227 PolarHBondContact O-N 2.96Å; S225-R227 VanDerWaalsContact O-N 3.08Å
226	V	27.6	Very low	24.7	Very low	125 Å²	125	154.3 Å²	154.3	76%	0.758	79%	0.787	S	S	*	*			trans	-79.2	90.2	164.4	-177.7	0	0	0	0	105.2	T224 P228	T224-V226 PolarHBondContact O-N 3.48Å; V226-P228 VanDerWaalsContact O-N 3.15Å
227	R	22.4	Very low	24.7	Very low	215 Å²	215	150 Å²	150	81%	0.811	77%	0.773	S	S	*	*			trans	-45.9	124.5	164.3	-85.4	-179.8	174.7	170	-1.3	106.8	S225 R229	S225-R227 VanDerWaalsContact C-N 3.27Å; S225-R227 PolarHBondContact O-N 2.96Å; S225-R227 VanDerWaalsContact O-N 3.08Å; R227-R229 PolarHBondContact O-N 2.91Å
228	P	25.5	Very low	24.8	Very low	119 Å²	119	146.2 Å²	146.2	77%	0.773	77%	0.771	S	S	*	*			trans	-60.3	107.6	178.5	23.5	-30.5	0	0	0	106.7	V226 K230	V226-P228 VanDerWaalsContact O-N 3.15Å; P228-K230 PolarHBondContact O-N 3.13Å
229	R	24.3	Very low	25.4	Very low	231 Å²	231	144.1 Å²	144.1	87%	0.872	76%	0.758	S	S	*	*			trans	-52.2	111	162.3	-94	-179.6	173.6	169.1	-1.6	104.1	R227 L231	R227-R229 PolarHBondContact O-N 2.91Å; R229-L231 PolarHBondContact O-N 3.42Å
230	K	24.1	Very low	26	Very low	189 Å²	189	141.7 Å²	141.7	82%	0.822	75%	0.746	S	S	*	*			trans	-53.3	99.2	165.4	-75.2	-179.5	177.2	178.9	0	104.8	P228 T232	P228-K230 PolarHBondContact O-N 3.13Å; K230-T232 PolarHBondContact O-N 2.96Å
231	L	24.4	Very low	26.8	Very low	156 Å²	156	138 Å²	138	82%	0.817	73%	0.729	S	S	*	*			trans	-65.6	83.2	164.8	-80.9	156.4	0	0	0	104.2	R229 S233	R229-L231 PolarHBondContact O-N 3.42Å; L231-S233 PolarHBondContact O-N 2.97Å
232	T	25.6	Very low	27.8	Very low	116 Å²	116	132.2 Å²	132.2	71%	0.712	71%	0.705	S	S	*	*			trans	-66.4	67.6	154.1	47.6	0	0	0	0	105.9	K230 Q234	K230-T232 PolarHBondContact O-N 2.96Å; T232-Q234 PolarHBondContact O-N 2.88Å
233	S	24.5	Very low	28.8	Very low	97 Å²	97	127.4 Å²	127.4	68%	0.678	69%	0.688	S	S	*	*			trans	-72.3	67.3	157.2	58.7	0	0	0	0	105.9	L231 S235	L231-S233 PolarHBondContact O-N 2.97Å; S233-S235 PolarHBondContact O-N 2.82Å
234	Q	25.2	Very low	30	Very low	135 Å²	135	127.8 Å²	127.8	63%	0.631	67%	0.671	S	S	*	*			trans	-60.5	88.5	144	-97	166.7	-26.9	0	0	103.4	T232 F236	T232-Q234 PolarHBondContact O-N 2.88Å; Q234-F236 HydrophobicContact CB-CE2 4.41Å; Q234-F236 WeakPolarHBondContact O-CD2 3.13Å; Q234-F236 PolarHBondContact O-N 2.99Å
235	S	23.6	Very low	31	Very low	96 Å²	96	123.9 Å²	123.9	67%	0.671	65%	0.645	S	S	*	*			trans	-56.6	93.3	158.5	52.2	0	0	0	0	104.1	S233 I237	S233-S235 PolarHBondContact O-N 2.82Å; S235-I237 PolarHBondContact O-N 3.33Å
236	F	26.2	Very low	32.4	Very low	179 Å²	179	124.4 Å²	124.4	79%	0.785	63%	0.633	S	S	*	*			trans	-53.8	95.9	153.1	-70.4	-88.7	0	0	0	103.1	Q234 A238	Q234-F236 HydrophobicContact CB-CE2 4.41Å; Q234-F236 WeakPolarHBondContact O-CD2 3.13Å; Q234-F236 PolarHBondContact O-N 2.99Å; F236-A238 PolarHBondContact O-N 3.09Å
237	I	24.8	Very low	33.6	Very low	120 Å²	120	123 Å²	123	62%	0.615	62%	0.622	S	S	*	*			trans	-61.5	95.8	156	-54.2	172.4	0	0	0	100.7	S235 Y239	S235-I237 PolarHBondContact O-N 3.33Å; I237-Y239 HydrophobicContact CB-CD2 3.82Å; I237-Y239 HydrophobicContact CB-CE2 4.12Å; I237-Y239 HydrophobicContact CD1-CE2 4.25Å; I237-Y239 HydrophobicContact CG2-CD2 3.24Å; I237-Y239 HydrophobicContact CG2-CE2 3.45Å; I237-Y239 VanDerWaalsContact CG2-CE2 3.45Å; I237-Y239 HydrophobicContact CG2-CG 4.05Å; I237-Y239 PolarHBondContact O-N 2.84Å
238	A	28.8	Very low	35.3	Very low	91 Å²	91	118.9 Å²	118.9	75%	0.752	61%	0.61	S	S	*	*			trans	-64	73.4	165	0	0	0	0	0	104.5	F236 N240	F236-A238 PolarHBondContact O-N 3.09Å; A238-N240 PolarHBondContact O-N 2.84Å
239	Y	34.8	Very low	36.5	Very low	162 Å²	162	113.7 Å²	113.7	64%	0.635	58%	0.576	S	S	*	*			trans	-57.2	115.4	168.3	-104.3	-82.8	0	0	0	103.4	I237 V241	I237-Y239 HydrophobicContact CB-CD2 3.82Å; I237-Y239 HydrophobicContact CB-CE2 4.12Å; I237-Y239 HydrophobicContact CD1-CE2 4.25Å; I237-Y239 HydrophobicContact CG2-CD2 3.24Å; I237-Y239 HydrophobicContact CG2-CE2 3.45Å; I237-Y239 VanDerWaalsContact CG2-CE2 3.45Å; I237-Y239 HydrophobicContact CG2-CG 4.05Å; I237-Y239 PolarHBondContact O-N 2.84Å; Y239-V241 WeakPolarHBondContact O-CG2 3.48Å; Y239-V241 PolarHBondContact O-N 3.18Å
240	N	39.1	Very low	38	Very low	102 Å²	102	109.3 Å²	109.3	55%	0.545	56%	0.563	S	S	.	*			trans	-77.1	64.6	-179.8	-136.7	-3.7	0	0	0	106.6	A238 E242 N243 D244	A238-N240 PolarHBondContact O-N 2.84Å; N240-E242 PolarHBondContact O-N 3.23Å; N240-E242 VanDerWaalsContact O-N 3.08Å; N240-N243 PolarHBondContact O-N 3.47Å; N240-D244 PolarHBondContact O-N 3.47Å
241	V	42.7	Very low	39.5	Very low	59 Å²	59	107.1 Å²	107.1	36%	0.358	56%	0.556	S	S	.	*	H	α-helix	trans	-57	-28.6	-171.8	-173	0	0	0	0	110.4	V173 Y239 D244 I245	V173-V241 HydrophobicContact CG1-CG1 4.4Å; V173-V241 HydrophobicContact CG2-CG1 3.93Å; Y239-V241 WeakPolarHBondContact O-CG2 3.48Å; Y239-V241 PolarHBondContact O-N 3.18Å; V241-D244 PolarHBondContact O-N 3.45Å; V241-I245 HydrophobicContact CG1-CD1 3.71Å; V241-I245 HydrophobicContact CG1-CG1 4.11Å; V241-I245 WeakPolarHBondContact O-CG1 3.31Å; V241-I245 PolarHBondContact O-N 3.01Å
242	E	43.4	Very low	40.8	Very low	82 Å²	82	103.7 Å²	103.7	38%	0.383	54%	0.535	S	S	.	.	H	α-helix	trans	-58.2	-50.5	174.5	-65.9	-177.4	175.3	0	0	112.2	N240 D244 I245 F246	N240-E242 PolarHBondContact O-N 3.23Å; N240-E242 VanDerWaalsContact O-N 3.08Å; E242-D244 VanDerWaalsContact C-N 3.33Å; E242-D244 PolarHBondContact O-N 2.66Å; E242-I245 PolarHBondContact O-N 2.94Å; E242-F246 WeakPolarHBondContact O-CB 3.45Å; E242-F246 PolarHBondContact O-N 2.88Å
243	N	48.2	Very low	42	Very low	95 Å²	95	100.2 Å²	100.2	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-35.9	179.8	-89.8	-3.1	0	0	0	111.6	N240 N247	N240-N243 PolarHBondContact O-N 3.47Å; N243-N247 WeakPolarHBondContact O-CB 3.48Å; N243-N247 PolarHBondContact O-N 3.49Å; N243-N247 PolarHBondContact O-ND2 3.12Å; N243-N247 VanDerWaalsContact O-ND2 3.09Å
244	D	46.1	Very low	43.3	Very low	91 Å²	91	105.2 Å²	105.2	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-71.9	-40.5	180	-72.5	-19.1	0	0	0	112.2	N240 V241 E242 N247 F248	N240-D244 PolarHBondContact O-N 3.47Å; V241-D244 PolarHBondContact O-N 3.45Å; E242-D244 VanDerWaalsContact C-N 3.33Å; E242-D244 PolarHBondContact O-N 2.66Å; D244-N247 PolarHBondContact O-N 2.95Å; D244-F248 VanDerWaalsContact O-CB 3.27Å; D244-F248 WeakPolarHBondContact O-CB 3.24Å; D244-F248 PolarHBondContact O-N 3.32Å
245	I	48.3	Very low	44.3	Very low	32 Å²	32	108.3 Å²	108.3	16%	0.164	53%	0.525	C	S	.	.	H	α-helix	trans	-67.6	-44.1	174.8	-67	172.8	0	0	0	110.1	V173 V241 E242 N247 F248 V249 I269	V173-I245 HydrophobicContact CG1-CD1 3.76Å; V241-I245 HydrophobicContact CG1-CD1 3.71Å; V241-I245 HydrophobicContact CG1-CG1 4.11Å; V241-I245 WeakPolarHBondContact O-CG1 3.31Å; V241-I245 PolarHBondContact O-N 3.01Å; E242-I245 PolarHBondContact O-N 2.94Å; I245-N247 VanDerWaalsContact C-N 3.33Å; I245-N247 PolarHBondContact O-N 3.41Å; I245-F248 PolarHBondContact O-N 3.25Å; I245-V249 HydrophobicContact CG2-CG2 4.24Å; I245-V249 WeakPolarHBondContact O-CG2 3.29Å; I245-V249 PolarHBondContact O-N 3.44Å; I245-I269 HydrophobicContact CG2-CD1 4.13Å
246	F	51	Low	45.4	Very low	120 Å²	120	107.1 Å²	107.1	53%	0.526	51%	0.511	S	S	.	.	H	α-helix	trans	-59.5	-46.7	175.7	-120.1	-85.2	0	0	0	110.7	E242 F248 V249 F250	E242-F246 WeakPolarHBondContact O-CB 3.45Å; E242-F246 PolarHBondContact O-N 2.88Å; F246-F248 VanDerWaalsContact C-N 3.34Å; F246-F248 PolarHBondContact O-N 3.07Å; F246-V249 PolarHBondContact O-N 3Å; F246-F250 WeakPolarHBondContact O-CB 3.43Å; F246-F250 PolarHBondContact O-N 3.37Å
247	N	53.4	Low	46.5	Very low	95 Å²	95	107.4 Å²	107.4	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-40.1	176.5	-76.7	-26.3	0	0	0	112	N243 D244 I245 F250 Q251	N243-N247 WeakPolarHBondContact O-CB 3.48Å; N243-N247 PolarHBondContact O-N 3.49Å; N243-N247 PolarHBondContact O-ND2 3.12Å; N243-N247 VanDerWaalsContact O-ND2 3.09Å; D244-N247 PolarHBondContact O-N 2.95Å; I245-N247 VanDerWaalsContact C-N 3.33Å; I245-N247 PolarHBondContact O-N 3.41Å; N247-F250 PolarHBondContact O-N 3.06Å; N247-Q251 VanDerWaalsContact O-CB 3.28Å; N247-Q251 WeakPolarHBondContact O-CB 3.46Å; N247-Q251 VanDerWaalsContact O-CG 3.31Å; N247-Q251 WeakPolarHBondContact O-CG 3.19Å; N247-Q251 PolarHBondContact O-N 3.29Å
248	F	56.4	Low	47.8	Very low	130 Å²	130	104.2 Å²	104.2	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-66	-47.7	177.3	179.5	-97.5	0	0	0	111.7	D244 I245 F246 F250 Q251 F252	D244-F248 VanDerWaalsContact O-CB 3.27Å; D244-F248 WeakPolarHBondContact O-CB 3.24Å; D244-F248 PolarHBondContact O-N 3.32Å; I245-F248 PolarHBondContact O-N 3.25Å; F246-F248 VanDerWaalsContact C-N 3.34Å; F246-F248 PolarHBondContact O-N 3.07Å; F248-F250 VanDerWaalsContact C-N 3.3Å; F248-F250 PolarHBondContact O-N 2.92Å; F248-Q251 PolarHBondContact O-N 3.46Å; F248-F252 HydrophobicContact CZ-CD2 4.28Å; F248-F252 WeakPolarHBondContact O-CB 3.46Å; F248-F252 PolarHBondContact O-N 3.36Å
249	V	52.5	Low	48.9	Very low	9 Å²	9	105.9 Å²	105.9	6%	0.055	51%	0.507	C	S	.	.	H	α-helix	trans	-60.4	-44.5	176	173.9	0	0	0	0	109.9	I245 F246 F252 V253 L262 A265 I269	I245-V249 HydrophobicContact CG2-CG2 4.24Å; I245-V249 WeakPolarHBondContact O-CG2 3.29Å; I245-V249 PolarHBondContact O-N 3.44Å; F246-V249 PolarHBondContact O-N 3Å; V249-F252 PolarHBondContact O-N 3.01Å; V249-V253 HydrophobicContact CG1-CG2 4.38Å; V249-V253 WeakPolarHBondContact O-CB 3.38Å; V249-V253 VanDerWaalsContact O-CG2 3.26Å; V249-V253 WeakPolarHBondContact O-CG2 3.3Å; V249-V253 PolarHBondContact O-N 2.84Å; V249-L262 HydrophobicContact CG1-CD2 4Å; V249-A265 HydrophobicContact CG1-CB 3.99Å; V249-I269 HydrophobicContact CG2-CD1 3.44Å; V249-I269 VanDerWaalsContact CG2-CD1 3.44Å
250	F	55.3	Low	49.6	Very low	139 Å²	139	99.1 Å²	99.1	61%	0.61	48%	0.482	S	S	*	.	H	α-helix	trans	-63.8	-44.9	179	-149.2	-84.4	0	0	0	111.6	F246 N247 F248 R254	F246-F250 WeakPolarHBondContact O-CB 3.43Å; F246-F250 PolarHBondContact O-N 3.37Å; N247-F250 PolarHBondContact O-N 3.06Å; F248-F250 VanDerWaalsContact C-N 3.3Å; F248-F250 PolarHBondContact O-N 2.92Å; F250-R254 VanDerWaalsContact O-CB 3.23Å; F250-R254 WeakPolarHBondContact O-CB 3.49Å; F250-R254 PolarHBondContact O-N 2.8Å
251	Q	55.3	Low	50.5	Low	143 Å²	143	98.8 Å²	98.8	67%	0.668	48%	0.481	S	S	*	.	H	α-helix	trans	-65.2	-39.9	174.9	-77.7	-142.2	19.6	0	0	112.1	N247 F248 R254 Y255	N247-Q251 VanDerWaalsContact O-CB 3.28Å; N247-Q251 WeakPolarHBondContact O-CB 3.46Å; N247-Q251 VanDerWaalsContact O-CG 3.31Å; N247-Q251 WeakPolarHBondContact O-CG 3.19Å; N247-Q251 PolarHBondContact O-N 3.29Å; F248-Q251 PolarHBondContact O-N 3.46Å; Q251-R254 PolarHBondContact O-N 3.27Å; Q251-Y255 WeakPolarHBondContact O-CB 3.48Å; Q251-Y255 PolarHBondContact O-N 2.89Å
252	F	51.9	Low	51.2	Low	84 Å²	84	100.2 Å²	100.2	37%	0.368	49%	0.486	S	S	.	.	H	α-helix	trans	-64.9	-44.9	179.3	-171.6	-91.6	0	0	0	111.6	F248 V249 R254 Y255 N256	F248-F252 HydrophobicContact CZ-CD2 4.28Å; F248-F252 WeakPolarHBondContact O-CB 3.46Å; F248-F252 PolarHBondContact O-N 3.36Å; V249-F252 PolarHBondContact O-N 3.01Å; F252-R254 VanDerWaalsContact C-N 3.35Å; F252-Y255 PolarHBondContact O-N 3.11Å; F252-N256 WeakPolarHBondContact CE1-ND2 3.33Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.42Å; F252-N256 WeakPolarHBondContact CZ-ND2 3.43Å; F252-N256 WeakPolarHBondContact O-CB 3.22Å; F252-N256 PolarHBondContact O-N 3.08Å
253	V	51.4	Low	52.2	Low	44 Å²	44	101.5 Å²	101.5	27%	0.267	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-43.2	174.5	172.6	0	0	0	0	110.5	V249 Q257	V249-V253 HydrophobicContact CG1-CG2 4.38Å; V249-V253 WeakPolarHBondContact O-CB 3.38Å; V249-V253 VanDerWaalsContact O-CG2 3.26Å; V249-V253 WeakPolarHBondContact O-CG2 3.3Å; V249-V253 PolarHBondContact O-N 2.84Å; V253-Q257 PolarHBondContact O-N 2.93Å
254	R	51.9	Low	52.7	Low	202 Å²	202	100.2 Å²	100.2	76%	0.762	49%	0.49	S	S	*	.	H	α-helix	trans	-66.9	-39.6	179.7	-156	-179.3	-164.7	-170.4	4.4	112.5	F250 Q251 F252	F250-R254 VanDerWaalsContact O-CB 3.23Å; F250-R254 WeakPolarHBondContact O-CB 3.49Å; F250-R254 PolarHBondContact O-N 2.8Å; Q251-R254 PolarHBondContact O-N 3.27Å; F252-R254 VanDerWaalsContact C-N 3.35Å
255	Y	44.8	Very low	53.2	Low	200 Å²	200	96.5 Å²	96.5	78%	0.784	47%	0.472	S	S	*	.	H	α-helix	trans	-73.7	-42.1	-177.6	-164	-88.7	0	0	0	112	Q251 F252 Q257	Q251-Y255 WeakPolarHBondContact O-CB 3.48Å; Q251-Y255 PolarHBondContact O-N 2.89Å; F252-Y255 PolarHBondContact O-N 3.11Å; Y255-Q257 VanDerWaalsContact C-N 3.28Å; Y255-Q257 PolarHBondContact O-N 3.49Å
256	N	47	Very low	53.8	Low	71 Å²	71	98.6 Å²	98.6	38%	0.38	48%	0.48	S	S	.	.	H	α-helix	trans	-80.7	-4.7	-178	-74.5	-31.3	0	0	0	113.9	F252 T258	F252-N256 WeakPolarHBondContact CE1-ND2 3.33Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.42Å; F252-N256 WeakPolarHBondContact CZ-ND2 3.43Å; F252-N256 WeakPolarHBondContact O-CB 3.22Å; F252-N256 PolarHBondContact O-N 3.08Å; N256-T258 WeakPolarHBondContact CB-OG1 3.4Å; N256-T258 WeakPolarHBondContact O-CG2 3.41Å; N256-T258 PolarHBondContact O-N 3.39Å
257	Q	49.6	Very low	54.6	Low	184 Å²	184	97 Å²	97	86%	0.86	48%	0.477	S	S	*	.			trans	49.7	13.5	-175.2	-65.8	-177.1	3.3	0	0	114.5	V253 Y255	V253-Q257 PolarHBondContact O-N 2.93Å; Y255-Q257 VanDerWaalsContact C-N 3.28Å; Y255-Q257 PolarHBondContact O-N 3.49Å
258	T	51.6	Low	55.1	Low	54 Å²	54	95 Å²	95	33%	0.331	47%	0.466	S	S	.	.			trans	-94.5	124.6	178.9	46.9	0	0	0	0	107.5	N256 V260	N256-T258 WeakPolarHBondContact CB-OG1 3.4Å; N256-T258 WeakPolarHBondContact O-CG2 3.41Å; N256-T258 PolarHBondContact O-N 3.39Å; T258-V260 PolarHBondContact O-N 3.01Å; T258-V260 WeakPolarHBondContact OG1-CG2 3.42Å
259	S	51.3	Low	55.8	Low	125 Å²	125	90.5 Å²	90.5	87%	0.874	45%	0.447	S	S	*	.			trans	-68.2	72.5	166.8	59.8	0	0	0	0	109.3
260	V	49.7	Very low	56.5	Low	20 Å²	20	96.9 Å²	96.9	12%	0.121	47%	0.47	C	S	.	.			trans	-78.5	121.8	172.4	-178.9	0	0	0	0	106.4	F88 T258 L262 T264 A265	F88-V260 HydrophobicContact CE1-CG2 3.81Å; F88-V260 HydrophobicContact CZ-CG1 4.44Å; F88-V260 HydrophobicContact CZ-CG2 3.9Å; T258-V260 PolarHBondContact O-N 3.01Å; T258-V260 WeakPolarHBondContact OG1-CG2 3.42Å; V260-L262 PolarHBondContact O-N 1.95Å; V260-T264 WeakPolarHBondContact CG1-OG1 3.46Å; V260-A265 HydrophobicContact CG1-CB 4.33Å
261	D	59.5	Low	56.9	Low	95 Å²	95	94.2 Å²	94.2	51%	0.508	46%	0.46	S	S	.	.			trans	-56	135.2	172.8	-179.4	11.9	0	0	0	109	I263 T264 A265	D261-I263 PolarHBondContact O-N 3.07Å; D261-I263 VanDerWaalsContact O-N 3.13Å; D261-I263 PolarHBondContact OD1-N 3.22Å; D261-T264 WeakPolarHBondContact CB-OG1 3.49Å; D261-T264 PolarHBondContact N-OG1 2.99Å; D261-T264 WeakPolarHBondContact O-CA 3.32Å; D261-T264 WeakPolarHBondContact O-CB 3.21Å; D261-T264 PolarHBondContact O-N 2.78Å; D261-T264 PolarHBondContact O-OG1 3.22Å; D261-A265 PolarHBondContact O-N 3.48Å
262	L	56	Low	57.5	Low	89 Å²	89	93.6 Å²	93.6	47%	0.466	45%	0.451	S	S	.	.	H	α-helix	trans	-52.4	-37.6	-179.6	-89.3	146.7	0	0	0	110.7	V249 V260 T264 A265 F266	V249-L262 HydrophobicContact CG1-CD2 4Å; V260-L262 PolarHBondContact O-N 1.95Å; L262-T264 PolarHBondContact O-N 3.26Å; L262-A265 WeakPolarHBondContact O-CB 3.39Å; L262-A265 PolarHBondContact O-N 2.78Å; L262-F266 HydrophobicContact CD2-CE2 4.24Å; L262-F266 WeakPolarHBondContact O-CD2 3.45Å; L262-F266 PolarHBondContact O-N 3.31Å
263	I	64	Low	58.4	Low	109 Å²	109	93.7 Å²	93.7	56%	0.559	45%	0.453	S	S	*	.	H	α-helix	trans	-61.9	-42.9	177.4	-60.9	172.2	0	0	0	111.1	D261 F266 N267	D261-I263 PolarHBondContact O-N 3.07Å; D261-I263 VanDerWaalsContact O-N 3.13Å; D261-I263 PolarHBondContact OD1-N 3.22Å; I263-F266 PolarHBondContact O-N 3.18Å; I263-N267 PolarHBondContact O-N 3.31Å; I263-N267 PolarHBondContact O-ND2 3.49Å
264	T	60.2	Low	59.1	Low	69 Å²	69	98.2 Å²	98.2	42%	0.423	47%	0.465	S	S	.	.	H	α-helix	trans	-64.5	-40	174.2	25.7	0	0	0	0	112.4	V260 D261 L262 N267 L268	V260-T264 WeakPolarHBondContact CG1-OG1 3.46Å; D261-T264 WeakPolarHBondContact CB-OG1 3.49Å; D261-T264 PolarHBondContact N-OG1 2.99Å; D261-T264 WeakPolarHBondContact O-CA 3.32Å; D261-T264 WeakPolarHBondContact O-CB 3.21Å; D261-T264 PolarHBondContact O-N 2.78Å; D261-T264 PolarHBondContact O-OG1 3.22Å; L262-T264 PolarHBondContact O-N 3.26Å; T264-N267 PolarHBondContact O-N 2.8Å; T264-L268 WeakPolarHBondContact O-CB 3.49Å; T264-L268 PolarHBondContact O-N 3.47Å
265	A	56.9	Low	60	Low	12 Å²	12	91.2 Å²	91.2	10%	0.099	44%	0.441	C	S	.	.	H	α-helix	trans	-62.8	-44.3	175.9	0	0	0	0	0	111.5	V249 V260 D261 L262 N267 L268 I269	V249-A265 HydrophobicContact CG1-CB 3.99Å; V260-A265 HydrophobicContact CG1-CB 4.33Å; D261-A265 PolarHBondContact O-N 3.48Å; L262-A265 WeakPolarHBondContact O-CB 3.39Å; L262-A265 PolarHBondContact O-N 2.78Å; A265-N267 PolarHBondContact O-N 3.41Å; A265-L268 WeakPolarHBondContact O-CB 2.93Å; A265-L268 PolarHBondContact O-N 2.85Å; A265-I269 WeakPolarHBondContact O-CG1 2.93Å; A265-I269 PolarHBondContact O-N 3.41Å
266	F	60.4	Low	61.2	Low	76 Å²	76	86 Å²	86	33%	0.333	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-44.3	175.5	-84.8	-67.5	0	0	0	112.8	I177 L262 I263 L268 I269 R270	I177-F266 HydrophobicContact CD1-CE1 4.22Å; L262-F266 HydrophobicContact CD2-CE2 4.24Å; L262-F266 WeakPolarHBondContact O-CD2 3.45Å; L262-F266 PolarHBondContact O-N 3.31Å; I263-F266 PolarHBondContact O-N 3.18Å; F266-L268 PolarHBondContact O-N 3.03Å; F266-I269 PolarHBondContact O-N 3Å; F266-R270 WeakPolarHBondContact O-CB 3.31Å; F266-R270 PolarHBondContact O-N 3.03Å
267	N	67	Low	62.5	Low	87 Å²	87	87.9 Å²	87.9	47%	0.465	43%	0.432	S	S	.	.	H	α-helix	trans	-61.8	-35.6	176.1	-76.8	-34.1	0	0	0	112	I263 T264 A265 R270 E271	I263-N267 PolarHBondContact O-N 3.31Å; I263-N267 PolarHBondContact O-ND2 3.49Å; T264-N267 PolarHBondContact O-N 2.8Å; A265-N267 PolarHBondContact O-N 3.41Å; N267-R270 PolarHBondContact O-N 3.47Å; N267-E271 WeakPolarHBondContact O-CB 3.27Å; N267-E271 WeakPolarHBondContact O-CG 3.41Å; N267-E271 PolarHBondContact O-N 3.09Å
268	L	64.8	Low	63.9	Low	53 Å²	53	83.4 Å²	83.4	28%	0.277	42%	0.416	S	S	.	.	H	α-helix	trans	-69.9	-42.6	179	-148.1	145.3	0	0	0	111.7	I84 F88 T264 A265 F266 E271 W272	I84-L268 HydrophobicContact CD1-CD1 4.03Å; I84-L268 HydrophobicContact CD1-CD2 4.16Å; I84-L268 HydrophobicContact CD1-CG 3.86Å; I84-L268 HydrophobicContact CG2-CD1 4.29Å; F88-L268 HydrophobicContact CE2-CD1 4.07Å; T264-L268 WeakPolarHBondContact O-CB 3.49Å; T264-L268 PolarHBondContact O-N 3.47Å; A265-L268 WeakPolarHBondContact O-CB 2.93Å; A265-L268 PolarHBondContact O-N 2.85Å; F266-L268 PolarHBondContact O-N 3.03Å; L268-E271 PolarHBondContact O-N 2.99Å; L268-W272 WeakPolarHBondContact O-CB 3.35Å; L268-W272 PolarHBondContact O-N 3Å
269	I	69.8	Low	65	Low	35 Å²	35	84.8 Å²	84.8	18%	0.179	42%	0.419	C	S	.	.	H	α-helix	trans	-61.4	-46	173.2	-67.8	168.9	0	0	0	110.2	I245 V249 A265 F266 E271 W272 E273	I245-I269 HydrophobicContact CG2-CD1 4.13Å; V249-I269 HydrophobicContact CG2-CD1 3.44Å; V249-I269 VanDerWaalsContact CG2-CD1 3.44Å; A265-I269 WeakPolarHBondContact O-CG1 2.93Å; A265-I269 PolarHBondContact O-N 3.41Å; F266-I269 PolarHBondContact O-N 3Å; I269-E271 PolarHBondContact O-N 3.15Å; I269-W272 WeakPolarHBondContact O-CB 3.32Å; I269-W272 PolarHBondContact O-N 3.39Å; I269-W272 VanDerWaalsContact O-N 3.17Å; I269-E273 HydrophobicContact CG2-CG 4.47Å; I269-E273 WeakPolarHBondContact O-CG 3.23Å; I269-E273 PolarHBondContact O-N 3.11Å
270	R	67.5	Low	66.3	Low	144 Å²	144	84.5 Å²	84.5	54%	0.543	40%	0.404	S	S	.	.	H	α-helix	trans	-62.6	-41.8	179.8	-169.7	-177.2	-175.4	-162	2.9	112.8	F266 N267 R274	F266-R270 WeakPolarHBondContact O-CB 3.31Å; F266-R270 PolarHBondContact O-N 3.03Å; N267-R270 PolarHBondContact O-N 3.47Å; R270-R274 WeakPolarHBondContact O-CG 3.41Å; R270-R274 PolarHBondContact O-N 3.13Å
271	E	64	Low	67.7	Low	82 Å²	82	86.5 Å²	86.5	38%	0.383	42%	0.416	S	S	.	.	H	α-helix	trans	-67.4	-37.2	174.5	-79.2	-63.1	147.9	0	0	111.8	N267 L268 I269 R274 F275	N267-E271 WeakPolarHBondContact O-CB 3.27Å; N267-E271 WeakPolarHBondContact O-CG 3.41Å; N267-E271 PolarHBondContact O-N 3.09Å; L268-E271 PolarHBondContact O-N 2.99Å; I269-E271 PolarHBondContact O-N 3.15Å; E271-R274 PolarHBondContact O-N 2.73Å; E271-F275 WeakPolarHBondContact O-CB 3.35Å; E271-F275 PolarHBondContact O-N 2.86Å
272	W	67.6	Low	68.7	Low	130 Å²	130	86.1 Å²	86.1	49%	0.492	41%	0.411	S	S	.	.	H	α-helix	trans	-64.9	-42.2	175.1	-173	84.7	0	0	0	112.3	L268 I269 F275 K276	L268-W272 WeakPolarHBondContact O-CB 3.35Å; L268-W272 PolarHBondContact O-N 3Å; I269-W272 WeakPolarHBondContact O-CB 3.32Å; I269-W272 PolarHBondContact O-N 3.39Å; I269-W272 VanDerWaalsContact O-N 3.17Å; W272-F275 PolarHBondContact O-N 2.99Å; W272-K276 HydrophobicContact CD2-CG 4.11Å; W272-K276 HydrophobicContact CE3-CG 4.08Å; W272-K276 HydrophobicContact CH2-CD 4.44Å; W272-K276 HydrophobicContact CH2-CG 4.04Å; W272-K276 HydrophobicContact CZ2-CD 4.28Å; W272-K276 VanDerWaalsContact CZ2-CE 3.44Å; W272-K276 HydrophobicContact CZ2-CG 4.04Å; W272-K276 HydrophobicContact CZ3-CG 4.04Å; W272-K276 WeakPolarHBondContact O-CB 3.41Å; W272-K276 WeakPolarHBondContact O-CG 3.38Å; W272-K276 PolarHBondContact O-N 3.44Å
273	E	71.2	Confident	69.7	Low	87 Å²	87	85.6 Å²	85.6	41%	0.407	41%	0.408	S	S	.	.	H	α-helix	trans	-62.3	-43.8	173.9	-74.5	-177.9	163.4	0	0	111.9	I269 F275 K276 L277	I269-E273 HydrophobicContact CG2-CG 4.47Å; I269-E273 WeakPolarHBondContact O-CG 3.23Å; I269-E273 PolarHBondContact O-N 3.11Å; E273-F275 PolarHBondContact O-N 3.28Å; E273-K276 WeakPolarHBondContact O-CB 3.42Å; E273-K276 PolarHBondContact O-N 3.26Å; E273-L277 PolarHBondContact O-N 3.44Å
274	R	66.3	Low	70.5	Confident	139 Å²	139	86.5 Å²	86.5	53%	0.525	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-45.3	174	-79.6	-176.1	170.8	-157.6	-3.9	111.7	R270 E271 L277 V278	R270-R274 WeakPolarHBondContact O-CG 3.41Å; R270-R274 PolarHBondContact O-N 3.13Å; E271-R274 PolarHBondContact O-N 2.73Å; R274-L277 PolarHBondContact O-N 3.17Å; R274-V278 WeakPolarHBondContact O-CG2 3.47Å; R274-V278 PolarHBondContact O-N 3.35Å
275	F	70.9	Confident	71.5	Confident	55 Å²	55	91.7 Å²	91.7	24%	0.241	42%	0.422	C	S	.	.	H	α-helix	trans	-60.5	-45.8	176.6	175.8	-99.6	0	0	0	111.5	W79 E271 W272 E273 L277 V278 Q279	W79-F275 HydrophobicContact CZ3-CD2 4.21Å; E271-F275 WeakPolarHBondContact O-CB 3.35Å; E271-F275 PolarHBondContact O-N 2.86Å; W272-F275 PolarHBondContact O-N 2.99Å; E273-F275 PolarHBondContact O-N 3.28Å; F275-L277 VanDerWaalsContact C-N 3.32Å; F275-L277 PolarHBondContact O-N 3.48Å; F275-V278 PolarHBondContact O-N 3.31Å; F275-Q279 WeakPolarHBondContact O-CB 3.33Å; F275-Q279 PolarHBondContact O-N 2.93Å
276	K	69.8	Low	72.7	Confident	89 Å²	89	95.5 Å²	95.5	39%	0.387	44%	0.438	S	S	.	.	H	α-helix	trans	-57.4	-43.8	175.5	-83.2	-64.4	-141.4	-179.2	0	112.3	W272 E273 Q279 Q280	W272-K276 HydrophobicContact CD2-CG 4.11Å; W272-K276 HydrophobicContact CE3-CG 4.08Å; W272-K276 HydrophobicContact CH2-CD 4.44Å; W272-K276 HydrophobicContact CH2-CG 4.04Å; W272-K276 HydrophobicContact CZ2-CD 4.28Å; W272-K276 VanDerWaalsContact CZ2-CE 3.44Å; W272-K276 HydrophobicContact CZ2-CG 4.04Å; W272-K276 HydrophobicContact CZ3-CG 4.04Å; W272-K276 WeakPolarHBondContact O-CB 3.41Å; W272-K276 WeakPolarHBondContact O-CG 3.38Å; W272-K276 PolarHBondContact O-N 3.44Å; E273-K276 WeakPolarHBondContact O-CB 3.42Å; E273-K276 PolarHBondContact O-N 3.26Å; K276-Q279 PolarHBondContact O-N 3.03Å; K276-Q280 WeakPolarHBondContact O-CG 3.37Å; K276-Q280 PolarHBondContact O-N 3.34Å
277	L	73.3	Confident	73.6	Confident	112 Å²	112	97.7 Å²	97.7	59%	0.586	45%	0.449	S	S	*	.	H	α-helix	trans	-64.4	-46.1	178.2	-167.9	76.5	0	0	0	111.4	E273 R274 F275 Q279 Q280 V281	E273-L277 PolarHBondContact O-N 3.44Å; R274-L277 PolarHBondContact O-N 3.17Å; F275-L277 VanDerWaalsContact C-N 3.32Å; F275-L277 PolarHBondContact O-N 3.48Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.03Å; L277-Q280 PolarHBondContact O-N 2.04Å; L277-V281 WeakPolarHBondContact O-CG2 3.43Å; L277-V281 PolarHBondContact O-N 2.97Å
278	V	79.5	Confident	74.4	Confident	89 Å²	89	100.1 Å²	100.1	54%	0.539	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-44	176.7	172.1	0	0	0	0	110.8	R274 F275 Q280 V281 Q282	R274-V278 WeakPolarHBondContact O-CG2 3.47Å; R274-V278 PolarHBondContact O-N 3.35Å; F275-V278 PolarHBondContact O-N 3.31Å; V278-Q280 PolarHBondContact O-N 2.98Å; V278-V281 PolarHBondContact O-N 2.82Å; V278-Q282 WeakPolarHBondContact O-CB 3Å; V278-Q282 PolarHBondContact O-N 2.91Å
279	Q	74.6	Confident	75.1	Confident	83 Å²	83	102.5 Å²	102.5	39%	0.388	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-44	178	-162.5	-170.8	21.9	0	0	111.4	F275 K276 L277 Q282 I283	F275-Q279 WeakPolarHBondContact O-CB 3.33Å; F275-Q279 PolarHBondContact O-N 2.93Å; K276-Q279 PolarHBondContact O-N 3.03Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.03Å; Q279-Q282 PolarHBondContact O-N 3.32Å; Q279-I283 HydrophobicContact CG-CD1 4.18Å; Q279-I283 VanDerWaalsContact O-CG1 3.28Å; Q279-I283 WeakPolarHBondContact O-CG1 2.98Å; Q279-I283 PolarHBondContact O-N 3.17Å
280	Q	79.1	Confident	75.7	Confident	119 Å²	119	107.2 Å²	107.2	56%	0.556	49%	0.487	S	S	*	.	H	α-helix	trans	-61.9	-43.8	175.5	-80	-178.1	-15.1	0	0	112.4	K276 L277 V278 Q282 I283 Q284	K276-Q280 WeakPolarHBondContact O-CG 3.37Å; K276-Q280 PolarHBondContact O-N 3.34Å; L277-Q280 PolarHBondContact O-N 2.04Å; V278-Q280 PolarHBondContact O-N 2.98Å; Q280-Q282 VanDerWaalsContact C-N 3.29Å; Q280-Q282 PolarHBondContact O-N 3.47Å; Q280-I283 PolarHBondContact O-N 3.46Å; Q280-Q284 WeakPolarHBondContact O-CG 3.4Å; Q280-Q284 PolarHBondContact O-N 3.19Å
281	V	79.8	Confident	76.3	Confident	62 Å²	62	105.5 Å²	105.5	38%	0.376	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-39	176.8	171.1	0	0	0	0	111.2	L277 V278 Q284 R285	L277-V281 WeakPolarHBondContact O-CG2 3.43Å; L277-V281 PolarHBondContact O-N 2.97Å; V278-V281 PolarHBondContact O-N 2.82Å; V281-Q284 PolarHBondContact O-N 3.46Å; V281-R285 WeakPolarHBondContact O-CG 3.41Å; V281-R285 PolarHBondContact O-N 3.26Å
282	Q	79.1	Confident	77	Confident	88 Å²	88	105.9 Å²	105.9	41%	0.411	49%	0.491	S	S	.	.	H	α-helix	trans	-67.3	-45.5	178.1	-167.9	166.4	-11.1	0	0	111.7	V278 Q279 Q280 Q284 R285 E286	V278-Q282 WeakPolarHBondContact O-CB 3Å; V278-Q282 PolarHBondContact O-N 2.91Å; Q279-Q282 PolarHBondContact O-N 3.32Å; Q280-Q282 VanDerWaalsContact C-N 3.29Å; Q280-Q282 PolarHBondContact O-N 3.47Å; Q282-Q284 VanDerWaalsContact C-N 3.32Å; Q282-Q284 PolarHBondContact O-N 2.91Å; Q282-R285 PolarHBondContact O-N 3.35Å; Q282-E286 PolarHBondContact O-N 3.09Å
283	I	77.7	Confident	77.5	Confident	78 Å²	78	107.2 Å²	107.2	40%	0.4	50%	0.495	S	S	.	.	H	α-helix	trans	-58.2	-44.2	173.9	-68.6	165.4	0	0	0	110.7	Q279 Q280 R285 E286 Q287	Q279-I283 HydrophobicContact CG-CD1 4.18Å; Q279-I283 VanDerWaalsContact O-CG1 3.28Å; Q279-I283 WeakPolarHBondContact O-CG1 2.98Å; Q279-I283 PolarHBondContact O-N 3.17Å; Q280-I283 PolarHBondContact O-N 3.46Å; I283-R285 PolarHBondContact O-N 3.25Å; I283-E286 PolarHBondContact O-N 3.39Å; I283-Q287 HydrophobicContact CG2-CG 4.42Å; I283-Q287 WeakPolarHBondContact O-CB 3.31Å; I283-Q287 WeakPolarHBondContact O-CG 3.5Å; I283-Q287 PolarHBondContact O-N 2.82Å
284	Q	80.6	Confident	77.7	Confident	127 Å²	127	108.6 Å²	108.6	59%	0.593	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-40.2	177.1	-77.7	-176.5	-6.3	0	0	112.8	Q280 V281 Q282 K288	Q280-Q284 WeakPolarHBondContact O-CG 3.4Å; Q280-Q284 PolarHBondContact O-N 3.19Å; V281-Q284 PolarHBondContact O-N 3.46Å; Q282-Q284 VanDerWaalsContact C-N 3.32Å; Q282-Q284 PolarHBondContact O-N 2.91Å; Q284-K288 WeakPolarHBondContact O-CB 3.2Å; Q284-K288 PolarHBondContact O-N 3.5Å
285	R	80.9	Confident	78.3	Confident	178 Å²	178	107.3 Å²	107.3	67%	0.672	50%	0.5	S	S	*	.	H	α-helix	trans	-63.3	-43.7	175.4	-76	177.6	-178.4	-169.9	1.1	111.5	V281 Q282 I283 K288 L289	V281-R285 WeakPolarHBondContact O-CG 3.41Å; V281-R285 PolarHBondContact O-N 3.26Å; Q282-R285 PolarHBondContact O-N 3.35Å; I283-R285 PolarHBondContact O-N 3.25Å; R285-K288 PolarHBondContact O-N 3.39Å; R285-L289 WeakPolarHBondContact O-CG 3.29Å; R285-L289 PolarHBondContact O-N 3.07Å
286	E	82.9	Confident	78.6	Confident	93 Å²	93	110.2 Å²	110.2	44%	0.435	51%	0.514	S	S	.	.	H	α-helix	trans	-64.6	-43.8	177.2	-75.2	179	-169.5	0	0	112.3	Q282 I283 K288 L289 K290	Q282-E286 PolarHBondContact O-N 3.09Å; I283-E286 PolarHBondContact O-N 3.39Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 3.07Å; E286-L289 PolarHBondContact O-N 2.93Å; E286-K290 WeakPolarHBondContact O-CG 3.49Å; E286-K290 PolarHBondContact O-N 3.39Å
287	Q	78.9	Confident	78.6	Confident	121 Å²	121	111.5 Å²	111.5	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-59.4	-43.9	174.4	-75.4	177.2	-13.6	0	0	111.6	I283 L289 K290 M291	I283-Q287 HydrophobicContact CG2-CG 4.42Å; I283-Q287 WeakPolarHBondContact O-CB 3.31Å; I283-Q287 WeakPolarHBondContact O-CG 3.5Å; I283-Q287 PolarHBondContact O-N 2.82Å; Q287-L289 PolarHBondContact O-N 3.49Å; Q287-K290 PolarHBondContact O-N 3.21Å; Q287-M291 PolarHBondContact O-N 2.95Å
288	K	84.6	Confident	78.5	Confident	139 Å²	139	112 Å²	112	60%	0.604	52%	0.521	S	S	*	.	H	α-helix	trans	-62.6	-41	176.7	-170.2	177.4	-179.7	-178.9	0	112.1	Q284 R285 E286 M291 L292	Q284-K288 WeakPolarHBondContact O-CB 3.2Å; Q284-K288 PolarHBondContact O-N 3.5Å; R285-K288 PolarHBondContact O-N 3.39Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 3.07Å; K288-M291 PolarHBondContact O-N 3.19Å; K288-L292 WeakPolarHBondContact O-CG 3.5Å; K288-L292 PolarHBondContact O-N 3.23Å
289	L	80	Confident	77.8	Confident	103 Å²	103	115.4 Å²	115.4	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-66	-40.2	175.7	-80.3	162.2	0	0	0	112.6	R285 E286 Q287 L292 R293	R285-L289 WeakPolarHBondContact O-CG 3.29Å; R285-L289 PolarHBondContact O-N 3.07Å; E286-L289 PolarHBondContact O-N 2.93Å; Q287-L289 PolarHBondContact O-N 3.49Å; L289-L292 PolarHBondContact O-N 3.12Å; L289-R293 PolarHBondContact O-N 3.12Å; L289-R293 VanDerWaalsContact O-N 3.12Å
290	K	81.3	Confident	77.2	Confident	134 Å²	134	119.7 Å²	119.7	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-61.5	-45.4	173.5	-74.3	-176.9	-179.3	-176.6	0	111.4	E286 Q287 L292 R293 H294	E286-K290 WeakPolarHBondContact O-CG 3.49Å; E286-K290 PolarHBondContact O-N 3.39Å; Q287-K290 PolarHBondContact O-N 3.21Å; K290-L292 PolarHBondContact O-N 3.4Å; K290-R293 PolarHBondContact O-N 3.49Å; K290-H294 PolarHBondContact O-N 3.27Å
291	M	79.4	Confident	76.4	Confident	108 Å²	108	117.4 Å²	117.4	53%	0.532	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-40.6	177.6	-176.7	-89	-75.1	0	0	112.6	Q287 K288 H294 K295	Q287-M291 PolarHBondContact O-N 2.95Å; K288-M291 PolarHBondContact O-N 3.19Å; M291-H294 PolarHBondContact O-N 3.4Å; M291-K295 WeakPolarHBondContact O-CB 3.39Å; M291-K295 PolarHBondContact O-N 3.23Å
292	L	80.4	Confident	75.8	Confident	90 Å²	90	118.1 Å²	118.1	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-63.6	-41.6	175.9	-74.3	171.9	0	0	0	112.6	K288 L289 K290 K295 Q296	K288-L292 WeakPolarHBondContact O-CG 3.5Å; K288-L292 PolarHBondContact O-N 3.23Å; L289-L292 PolarHBondContact O-N 3.12Å; K290-L292 PolarHBondContact O-N 3.4Å; L292-K295 PolarHBondContact O-N 2.9Å; L292-Q296 PolarHBondContact O-N 3.01Å; L292-Q296 VanDerWaalsContact O-N 3.07Å
293	R	77.4	Confident	74.9	Confident	157 Å²	157	119.6 Å²	119.6	59%	0.592	54%	0.536	S	S	*	.	H	α-helix	trans	-61.5	-49	174.8	-78.9	-170.6	-79.4	-178.9	-5.3	111.8	L289 K290 K295 Q296 E297	L289-R293 PolarHBondContact O-N 3.12Å; L289-R293 VanDerWaalsContact O-N 3.12Å; K290-R293 PolarHBondContact O-N 3.49Å; R293-K295 VanDerWaalsContact C-N 3.28Å; R293-K295 PolarHBondContact O-N 3.07Å; R293-Q296 PolarHBondContact O-N 2.84Å; R293-E297 PolarHBondContact O-N 2.74Å
294	H	74.8	Confident	74	Confident	117 Å²	117	122.6 Å²	122.6	54%	0.542	54%	0.544	S	S	.	.	H	α-helix	trans	-58.6	-40.7	177.8	-167.6	-86.1	0	0	0	111.9	K290 M291 Q296 E297 H298	K290-H294 PolarHBondContact O-N 3.27Å; M291-H294 PolarHBondContact O-N 3.4Å; H294-Q296 VanDerWaalsContact C-N 3.34Å; H294-Q296 PolarHBondContact O-N 3.41Å; H294-E297 PolarHBondContact O-N 2.95Å; H294-H298 PolarHBondContact O-N 3.23Å
295	K	78.6	Confident	72.6	Confident	112 Å²	112	119.5 Å²	119.5	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-35.5	176.6	-168.6	172.8	-175.6	173.3	0	112.8	M291 L292 R293 R299	M291-K295 WeakPolarHBondContact O-CB 3.39Å; M291-K295 PolarHBondContact O-N 3.23Å; L292-K295 PolarHBondContact O-N 2.9Å; R293-K295 VanDerWaalsContact C-N 3.28Å; R293-K295 PolarHBondContact O-N 3.07Å; K295-R299 WeakPolarHBondContact O-CG 3.41Å; K295-R299 PolarHBondContact O-N 3.1Å
296	Q	78	Confident	71.6	Confident	116 Å²	116	118.8 Å²	118.8	54%	0.542	53%	0.526	S	S	.	.	H	α-helix	trans	-72.6	-39.7	177.8	-172.5	170.4	-2	0	0	112.1	L292 R293 H294 R299 R300	L292-Q296 PolarHBondContact O-N 3.01Å; L292-Q296 VanDerWaalsContact O-N 3.07Å; R293-Q296 PolarHBondContact O-N 2.84Å; H294-Q296 VanDerWaalsContact C-N 3.34Å; H294-Q296 PolarHBondContact O-N 3.41Å; Q296-R299 PolarHBondContact O-N 3.2Å; Q296-R300 PolarHBondContact O-N 3.34Å; Q296-R300 VanDerWaalsContact O-N 3.16Å
297	E	70.2	Confident	70.3	Confident	115 Å²	115	123 Å²	123	54%	0.537	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-44.2	173.3	-74.2	171.9	175.9	0	0	111.5	R293 H294 R299 R300 L301	R293-E297 PolarHBondContact O-N 2.74Å; H294-E297 PolarHBondContact O-N 2.95Å; E297-R299 VanDerWaalsContact C-N 3.32Å; E297-R299 PolarHBondContact O-N 3.35Å; E297-R300 PolarHBondContact O-N 3.34Å; E297-R300 VanDerWaalsContact O-N 3.15Å; E297-L301 PolarHBondContact O-N 2.81Å
298	H	70.2	Confident	68.9	Low	123 Å²	123	120.6 Å²	120.6	57%	0.569	53%	0.53	S	S	*	.	H	α-helix	trans	-59.6	-39.6	176.3	-118.8	39.6	0	0	0	113	H294 L301 D302	H294-H298 PolarHBondContact O-N 3.23Å; H298-L301 PolarHBondContact O-N 2.83Å; H298-D302 PolarHBondContact O-N 3.49Å
299	R	65.2	Low	67.3	Low	161 Å²	161	121.1 Å²	121.1	61%	0.608	53%	0.528	S	S	*	.	H	α-helix	trans	-63.8	-42.3	174.9	-72.6	179.7	-172.1	-177.2	-0.9	112.3	K295 Q296 E297 D302 E303	K295-R299 WeakPolarHBondContact O-CG 3.41Å; K295-R299 PolarHBondContact O-N 3.1Å; Q296-R299 PolarHBondContact O-N 3.2Å; E297-R299 VanDerWaalsContact C-N 3.32Å; E297-R299 PolarHBondContact O-N 3.35Å; R299-D302 PolarHBondContact O-N 2.9Å; R299-E303 PolarHBondContact O-N 2.77Å; R299-E303 VanDerWaalsContact O-N 3.08Å
300	R	61.7	Low	66.1	Low	173 Å²	173	121.8 Å²	121.8	65%	0.653	53%	0.529	S	S	*	.	H	α-helix	trans	-63.1	-42.1	177.4	-79.7	-178	156.6	160.6	-5.2	112.2	Q296 E297 Y304	Q296-R300 PolarHBondContact O-N 3.34Å; Q296-R300 VanDerWaalsContact O-N 3.16Å; E297-R300 PolarHBondContact O-N 3.34Å; E297-R300 VanDerWaalsContact O-N 3.15Å; R300-Y304 PolarHBondContact O-N 2.95Å
301	L	63	Low	64.6	Low	70 Å²	70	122.1 Å²	122.1	37%	0.366	53%	0.53	S	S	.	.	H	α-helix	trans	-63.4	-43.4	175.8	-82.9	153.5	0	0	0	111.7	E297 H298 E303 Y304 H305	E297-L301 PolarHBondContact O-N 2.81Å; H298-L301 PolarHBondContact O-N 2.83Å; L301-E303 PolarHBondContact O-N 2.99Å; L301-Y304 PolarHBondContact O-N 2.97Å; L301-H305 PolarHBondContact O-CD2 2.99Å; L301-H305 PolarHBondContact O-N 2.94Å
302	D	67.7	Low	63	Low	78 Å²	78	119.9 Å²	119.9	42%	0.417	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-40.8	178.7	-169.2	49.2	0	0	0	112.5	H298 R299 H305 R306	H298-D302 PolarHBondContact O-N 3.49Å; R299-D302 PolarHBondContact O-N 2.9Å; D302-H305 PolarHBondContact O-N 3.45Å; D302-R306 WeakPolarHBondContact O-CB 3.5Å; D302-R306 PolarHBondContact O-N 2.74Å
303	E	59.7	Low	61.5	Low	118 Å²	118	118.5 Å²	118.5	55%	0.551	52%	0.52	S	S	*	.	H	α-helix	trans	-61.2	-44.7	172.7	-77.5	178.8	179.8	0	0	112.2	R299 L301 H305 R306 Y307	R299-E303 PolarHBondContact O-N 2.77Å; R299-E303 VanDerWaalsContact O-N 3.08Å; L301-E303 PolarHBondContact O-N 2.99Å; E303-H305 PolarHBondContact O-N 3.33Å; E303-R306 WeakPolarHBondContact O-CB 3.27Å; E303-R306 PolarHBondContact O-N 3.44Å; E303-Y307 WeakPolarHBondContact O-CD2 3.22Å; E303-Y307 PolarHBondContact O-N 3.28Å
304	Y	58.2	Low	60.2	Low	142 Å²	142	116.5 Å²	116.5	56%	0.557	52%	0.519	S	S	*	.	H	α-helix	trans	-61.1	-44.4	176.9	178.7	-105.2	0	0	0	112	R300 L301 R306 Y307 L308	R300-Y304 PolarHBondContact O-N 2.95Å; L301-Y304 PolarHBondContact O-N 2.97Å; Y304-R306 VanDerWaalsContact C-N 3.3Å; Y304-R306 PolarHBondContact O-N 3.5Å; Y304-Y307 WeakPolarHBondContact O-CB 3.4Å; Y304-Y307 PolarHBondContact O-N 3.45Å; Y304-L308 HydrophobicContact CD1-CD1 3.93Å; Y304-L308 HydrophobicContact CD1-CG 4.48Å; Y304-L308 HydrophobicContact CE1-CD1 3.33Å; Y304-L308 HydrophobicContact CE1-CG 4.05Å; Y304-L308 HydrophobicContact CE2-CG 4.49Å; Y304-L308 PolarHBondContact O-N 3.39Å
305	H	52.2	Low	59.1	Low	62 Å²	62	115.2 Å²	115.2	29%	0.287	52%	0.516	S	S	.	.	H	α-helix	trans	-62.8	-36.2	174.8	-76.3	-58.1	0	0	0	112.6	L301 D302 E303 L308 R309	L301-H305 PolarHBondContact O-CD2 2.99Å; L301-H305 PolarHBondContact O-N 2.94Å; D302-H305 PolarHBondContact O-N 3.45Å; E303-H305 PolarHBondContact O-N 3.33Å; H305-L308 PolarHBondContact O-N 3.15Å; H305-R309 WeakPolarHBondContact O-CG 2.95Å; H305-R309 PolarHBondContact O-N 3.24Å
306	R	59.1	Low	57.9	Low	162 Å²	162	112.6 Å²	112.6	61%	0.611	51%	0.509	S	S	*	.	H	α-helix	trans	-62.5	-44	174.1	-167.1	-176.2	-65	-175.4	-0.3	111.5	D302 E303 Y304 R309 H310	D302-R306 WeakPolarHBondContact O-CB 3.5Å; D302-R306 PolarHBondContact O-N 2.74Å; E303-R306 WeakPolarHBondContact O-CB 3.27Å; E303-R306 PolarHBondContact O-N 3.44Å; Y304-R306 VanDerWaalsContact C-N 3.3Å; Y304-R306 PolarHBondContact O-N 3.5Å; R306-R309 PolarHBondContact O-N 2.89Å; R306-H310 PolarHBondContact O-N 2.85Å
307	Y	56.4	Low	56.6	Low	181 Å²	181	110.4 Å²	110.4	71%	0.71	50%	0.501	S	S	*	.	H	α-helix	trans	-61.2	-44.8	175.1	-91.7	-75.4	0	0	0	112.7	E303 Y304 R309 H310 F311	E303-Y307 WeakPolarHBondContact O-CD2 3.22Å; E303-Y307 PolarHBondContact O-N 3.28Å; Y304-Y307 WeakPolarHBondContact O-CB 3.4Å; Y304-Y307 PolarHBondContact O-N 3.45Å; Y307-R309 PolarHBondContact O-N 3.11Å; Y307-H310 PolarHBondContact O-N 2.74Å; Y307-H310 VanDerWaalsContact O-N 3.15Å; Y307-F311 PolarHBondContact O-N 2.88Å
308	L	48.4	Very low	56.1	Low	71 Å²	71	110.5 Å²	110.5	37%	0.372	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-42.9	177.5	-75.3	177.6	0	0	0	112.3	Y304 H305 H310 F311 S312	Y304-L308 HydrophobicContact CD1-CD1 3.93Å; Y304-L308 HydrophobicContact CD1-CG 4.48Å; Y304-L308 HydrophobicContact CE1-CD1 3.33Å; Y304-L308 HydrophobicContact CE1-CG 4.05Å; Y304-L308 HydrophobicContact CE2-CG 4.49Å; Y304-L308 PolarHBondContact O-N 3.39Å; H305-L308 PolarHBondContact O-N 3.15Å; L308-H310 VanDerWaalsContact C-N 3.31Å; L308-H310 PolarHBondContact O-N 3.31Å; L308-F311 PolarHBondContact O-N 2.95Å; L308-S312 WeakPolarHBondContact O-CB 3.31Å; L308-S312 PolarHBondContact O-N 3.36Å; L308-S312 PolarHBondContact O-OG 3.15Å
309	R	51.9	Low	55.2	Low	151 Å²	151	108.7 Å²	108.7	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-62.6	-38.7	174.1	-70.1	-177.4	-152.1	131.6	7.3	111.6	H305 R306 Y307 S312 T313	H305-R309 WeakPolarHBondContact O-CG 2.95Å; H305-R309 PolarHBondContact O-N 3.24Å; R306-R309 PolarHBondContact O-N 2.89Å; Y307-R309 PolarHBondContact O-N 3.11Å; R309-S312 PolarHBondContact O-OG 2.97Å; R309-S312 VanDerWaalsContact O-OG 3.06Å; R309-T313 WeakPolarHBondContact O-CB 3.29Å; R309-T313 WeakPolarHBondContact O-CG2 3.27Å; R309-T313 PolarHBondContact O-N 3.08Å; R309-T313 PolarHBondContact O-OG1 3.45Å
310	H	55.2	Low	54.6	Low	117 Å²	117	102.5 Å²	102.5	54%	0.542	48%	0.475	S	S	.	.	H	α-helix	trans	-68.6	-39.3	178.4	-159.7	5.7	0	0	0	112.1	R306 Y307 L308 T313 M314	R306-H310 PolarHBondContact O-N 2.85Å; Y307-H310 PolarHBondContact O-N 2.74Å; Y307-H310 VanDerWaalsContact O-N 3.15Å; L308-H310 VanDerWaalsContact C-N 3.31Å; L308-H310 PolarHBondContact O-N 3.31Å; H310-T313 VanDerWaalsContact CA-OG1 3.32Å; H310-T313 WeakPolarHBondContact CA-OG1 3.3Å; H310-T313 PolarHBondContact O-OG1 2.98Å; H310-M314 WeakPolarHBondContact O-CB 3.42Å; H310-M314 VanDerWaalsContact O-CG 3.31Å; H310-M314 WeakPolarHBondContact O-CG 3Å; H310-M314 PolarHBondContact O-N 3.16Å
311	F	49.5	Very low	54.5	Low	141 Å²	141	101.4 Å²	101.4	62%	0.618	48%	0.475	S	S	*	.	H	α-helix	trans	-66.1	-45.7	175.7	-173.7	-99.3	0	0	0	112	Y307 L308 T313 M314 L315	Y307-F311 PolarHBondContact O-N 2.88Å; L308-F311 PolarHBondContact O-N 2.95Å; F311-T313 VanDerWaalsContact C-N 3.34Å; F311-T313 PolarHBondContact O-N 3.01Å; F311-M314 PolarHBondContact O-N 3.3Å; F311-L315 HydrophobicContact CE1-CD1 4.31Å; F311-L315 HydrophobicContact CZ-CD1 4.15Å; F311-L315 WeakPolarHBondContact O-CB 3.16Å; F311-L315 PolarHBondContact O-N 3.04Å
312	S	44.5	Very low	54.2	Low	60 Å²	60	101.3 Å²	101.3	42%	0.42	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-40.1	177.9	71.5	0	0	0	0	111.7	L308 R309 T316	L308-S312 WeakPolarHBondContact O-CB 3.31Å; L308-S312 PolarHBondContact O-N 3.36Å; L308-S312 PolarHBondContact O-OG 3.15Å; R309-S312 PolarHBondContact O-OG 2.97Å; R309-S312 VanDerWaalsContact O-OG 3.06Å; S312-T316 VanDerWaalsContact O-CB 3.3Å; S312-T316 WeakPolarHBondContact O-CB 3.29Å; S312-T316 WeakPolarHBondContact O-CG2 3.49Å; S312-T316 PolarHBondContact O-N 2.75Å; S312-T316 PolarHBondContact O-OG1 2.86Å
313	T	49.6	Very low	53.7	Low	61 Å²	61	99.8 Å²	99.8	37%	0.374	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-39.8	175.9	50	0	0	0	0	112.6	R309 H310 F311 T316 N317 R533	R309-T313 WeakPolarHBondContact O-CB 3.29Å; R309-T313 WeakPolarHBondContact O-CG2 3.27Å; R309-T313 PolarHBondContact O-N 3.08Å; R309-T313 PolarHBondContact O-OG1 3.45Å; H310-T313 VanDerWaalsContact CA-OG1 3.32Å; H310-T313 WeakPolarHBondContact CA-OG1 3.3Å; H310-T313 PolarHBondContact O-OG1 2.98Å; F311-T313 VanDerWaalsContact C-N 3.34Å; F311-T313 PolarHBondContact O-N 3.01Å; T313-T316 WeakPolarHBondContact CA-OG1 3.3Å; T313-T316 PolarHBondContact O-OG1 3.35Å; T313-T316 VanDerWaalsContact O-OG1 3.1Å; T313-N317 VanDerWaalsContact O-CB 3.22Å; T313-N317 WeakPolarHBondContact O-CB 3.42Å; T313-N317 VanDerWaalsContact O-CG 3.26Å; T313-N317 PolarHBondContact O-N 2.86Å; T313-N317 PolarHBondContact O-ND2 3.36Å; T313-R533 PolarHBondContact O-NH2 2.97Å
314	M	49.6	Very low	53.5	Low	115 Å²	115	102 Å²	102	57%	0.567	47%	0.47	S	S	*	.	H	α-helix	trans	-64.4	-50.6	175.4	-77.1	-71.2	-88.1	0	0	112	H310 F311 T316 N317 E318	H310-M314 WeakPolarHBondContact O-CB 3.42Å; H310-M314 VanDerWaalsContact O-CG 3.31Å; H310-M314 WeakPolarHBondContact O-CG 3Å; H310-M314 PolarHBondContact O-N 3.16Å; F311-M314 PolarHBondContact O-N 3.3Å; M314-T316 VanDerWaalsContact C-N 3.33Å; M314-T316 PolarHBondContact O-N 2.66Å; M314-N317 WeakPolarHBondContact O-CB 3.44Å; M314-N317 PolarHBondContact O-N 3Å; M314-N317 VanDerWaalsContact O-N 3.13Å; M314-E318 PolarHBondContact O-N 2.81Å
315	L	52.6	Low	53.7	Low	90 Å²	90	103.7 Å²	103.7	47%	0.471	48%	0.481	S	S	.	.	H	α-helix	trans	-61.1	-43.9	-179.9	-158.1	97.8	0	0	0	111.4	F311 N317 E318 K319	F311-L315 HydrophobicContact CE1-CD1 4.31Å; F311-L315 HydrophobicContact CZ-CD1 4.15Å; F311-L315 WeakPolarHBondContact O-CB 3.16Å; F311-L315 PolarHBondContact O-N 3.04Å; L315-N317 VanDerWaalsContact C-N 3.33Å; L315-N317 PolarHBondContact O-N 3.44Å; L315-E318 PolarHBondContact O-N 2.81Å; L315-K319 PolarHBondContact O-N 2.9Å; L315-K319 VanDerWaalsContact O-N 3.08Å
316	T	53.1	Low	53.9	Low	57 Å²	57	100.9 Å²	100.9	35%	0.35	47%	0.469	S	S	.	.	H	α-helix	trans	-68.9	-31.1	177.3	54.2	0	0	0	0	112.1	S312 T313 M314 A320 R533	S312-T316 VanDerWaalsContact O-CB 3.3Å; S312-T316 WeakPolarHBondContact O-CB 3.29Å; S312-T316 WeakPolarHBondContact O-CG2 3.49Å; S312-T316 PolarHBondContact O-N 2.75Å; S312-T316 PolarHBondContact O-OG1 2.86Å; T313-T316 WeakPolarHBondContact CA-OG1 3.3Å; T313-T316 PolarHBondContact O-OG1 3.35Å; T313-T316 VanDerWaalsContact O-OG1 3.1Å; M314-T316 VanDerWaalsContact C-N 3.33Å; M314-T316 PolarHBondContact O-N 2.66Å; T316-A320 WeakPolarHBondContact O-CB 3.21Å; T316-A320 PolarHBondContact O-N 2.7Å; T316-R533 VanDerWaalsContact C-NH2 3.26Å; T316-R533 PolarHBondContact OG1-NE 2.96Å; T316-R533 PolarHBondContact OG1-NH2 2.76Å
317	N	51.4	Low	53.8	Low	70 Å²	70	100.7 Å²	100.7	37%	0.374	47%	0.474	S	S	.	.	H	α-helix	trans	-69.4	-41.4	174.8	-88.8	-24.6	0	0	0	111.6	T313 M314 L315 K321 R533	T313-N317 VanDerWaalsContact O-CB 3.22Å; T313-N317 WeakPolarHBondContact O-CB 3.42Å; T313-N317 VanDerWaalsContact O-CG 3.26Å; T313-N317 PolarHBondContact O-N 2.86Å; T313-N317 PolarHBondContact O-ND2 3.36Å; M314-N317 WeakPolarHBondContact O-CB 3.44Å; M314-N317 PolarHBondContact O-N 3Å; M314-N317 VanDerWaalsContact O-N 3.13Å; L315-N317 VanDerWaalsContact C-N 3.33Å; L315-N317 PolarHBondContact O-N 3.44Å; N317-K321 WeakPolarHBondContact O-CB 3.01Å; N317-K321 VanDerWaalsContact O-CG 3.31Å; N317-K321 WeakPolarHBondContact O-CG 3.48Å; N317-K321 PolarHBondContact O-N 2.85Å; N317-R533 VanDerWaalsContact OD1-CZ 3.25Å; N317-R533 PolarHBondContact OD1-NH1 3.27Å; N317-R533 PolarHBondContact OD1-NH2 2.95Å
318	E	58.8	Low	54.5	Low	117 Å²	117	97 Å²	97	55%	0.547	47%	0.467	S	S	.	.	H	α-helix	trans	-63.9	-47.7	177.9	-162.8	-172.4	164.6	0	0	111	M314 L315 K321 Q322	M314-E318 PolarHBondContact O-N 2.81Å; L315-E318 PolarHBondContact O-N 2.81Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 2.02Å; E318-Q322 WeakPolarHBondContact O-CG 3.49Å; E318-Q322 PolarHBondContact O-N 2.85Å
319	K	52.2	Low	55.4	Low	85 Å²	85	96.2 Å²	96.2	37%	0.37	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-42	176.1	-71.5	-68	-176.2	177.1	0	112.5	L315 K321 Q322 F323	L315-K319 PolarHBondContact O-N 2.9Å; L315-K319 VanDerWaalsContact O-N 3.08Å; K319-K321 VanDerWaalsContact C-N 3.29Å; K319-K321 PolarHBondContact O-N 3.22Å; K319-Q322 WeakPolarHBondContact O-CA 3.45Å; K319-Q322 WeakPolarHBondContact O-CB 3.42Å; K319-Q322 PolarHBondContact O-N 2.96Å; K319-F323 HydrophobicContact CB-CE2 4.41Å; K319-F323 WeakPolarHBondContact O-CD2 2.88Å; K319-F323 PolarHBondContact O-N 3.32Å
320	A	51.8	Low	56.2	Low	31 Å²	31	97 Å²	97	26%	0.256	47%	0.465	S	S	.	.	H	α-helix	trans	-61.2	-37.3	174.8	0	0	0	0	0	112.3	T316 Q322 F323 K324	T316-A320 WeakPolarHBondContact O-CB 3.21Å; T316-A320 PolarHBondContact O-N 2.7Å; A320-Q322 VanDerWaalsContact C-N 3.34Å; A320-F323 PolarHBondContact O-N 3.08Å; A320-K324 WeakPolarHBondContact O-CB 3.06Å; A320-K324 WeakPolarHBondContact O-CG 3.03Å; A320-K324 PolarHBondContact O-N 2.93Å
321	K	59.8	Low	56.5	Low	150 Å²	150	94.4 Å²	94.4	65%	0.652	46%	0.455	S	S	*	.	H	α-helix	trans	-64.9	-36.6	172.6	-76.2	177.1	-178.6	-177.9	0	111.9	N317 E318 K319 K325	N317-K321 WeakPolarHBondContact O-CB 3.01Å; N317-K321 VanDerWaalsContact O-CG 3.31Å; N317-K321 WeakPolarHBondContact O-CG 3.48Å; N317-K321 PolarHBondContact O-N 2.85Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 2.02Å; K319-K321 VanDerWaalsContact C-N 3.29Å; K319-K321 PolarHBondContact O-N 3.22Å; K321-K325 WeakPolarHBondContact O-CG 3.39Å; K321-K325 PolarHBondContact O-N 2.71Å
322	Q	57.5	Low	57	Low	68 Å²	68	88.4 Å²	88.4	32%	0.318	43%	0.429	S	S	.	.	H	α-helix	trans	-65.6	-47.1	173.5	-68	174.9	4.1	0	0	111.3	E318 K319 A320 K324 K325 A326 I335	E318-Q322 WeakPolarHBondContact O-CG 3.49Å; E318-Q322 PolarHBondContact O-N 2.85Å; K319-Q322 WeakPolarHBondContact O-CA 3.45Å; K319-Q322 WeakPolarHBondContact O-CB 3.42Å; K319-Q322 PolarHBondContact O-N 2.96Å; A320-Q322 VanDerWaalsContact C-N 3.34Å; Q322-K324 PolarHBondContact O-N 3.19Å; Q322-K325 PolarHBondContact O-N 3.38Å; Q322-K325 VanDerWaalsContact O-N 3.08Å; Q322-A326 PolarHBondContact O-N 3.19Å; Q322-I335 HydrophobicContact CB-CD1 4.08Å; Q322-I335 HydrophobicContact CB-CG1 4.28Å; Q322-I335 HydrophobicContact CB-CG2 4.18Å; Q322-I335 WeakPolarHBondContact O-CD1 3.48Å
323	F	56.2	Low	57.8	Low	46 Å²	46	87.1 Å²	87.1	20%	0.202	42%	0.415	C	S	.	.	H	α-helix	trans	-65.8	-32.8	177.8	-74.4	-65.1	0	0	0	113.9	K319 A320 K325 A326 F332 I335 I336	K319-F323 HydrophobicContact CB-CE2 4.41Å; K319-F323 WeakPolarHBondContact O-CD2 2.88Å; K319-F323 PolarHBondContact O-N 3.32Å; A320-F323 PolarHBondContact O-N 3.08Å; F323-K325 PolarHBondContact O-N 2.03Å; F323-A326 PolarHBondContact O-N 3.22Å; F323-F332 AromaticContact CD1-CD2 3.7Å; F323-F332 HydrophobicContact CD1-CD2 3.7Å; F323-F332 AromaticContact CD1-CE2 3.9Å; F323-F332 HydrophobicContact CD1-CE2 3.9Å; F323-F332 AromaticContact CE1-CD2 3.64Å; F323-F332 HydrophobicContact CE1-CD2 3.64Å; F323-F332 AromaticContact CE1-CE2 3.68Å; F323-F332 HydrophobicContact CE1-CE2 3.68Å; F323-I335 HydrophobicContact CD1-CB 4.48Å; F323-I335 HydrophobicContact CD1-CD1 4.33Å; F323-I335 HydrophobicContact CD1-CG2 4Å; F323-I335 HydrophobicContact CD2-CG2 4.27Å; F323-I335 HydrophobicContact CE1-CB 4.05Å; F323-I335 HydrophobicContact CE1-CG2 3.58Å; F323-I335 HydrophobicContact CE2-CG2 3.87Å; F323-I335 HydrophobicContact CG-CG2 4.32Å; F323-I335 HydrophobicContact CZ-CB 4.39Å; F323-I335 HydrophobicContact CZ-CG2 3.51Å; F323-I336 HydrophobicContact CE1-CD1 4.44Å; F323-I336 HydrophobicContact CE1-CG1 3.9Å; F323-I336 HydrophobicContact CZ-CG1 3.9Å
324	K	56.4	Low	58.4	Low	164 Å²	164	88.9 Å²	88.9	71%	0.713	42%	0.418	S	S	*	.	H	α-helix	trans	-61.8	-32.1	172	-82.2	-171.4	177.4	-171.1	0	112.3	A320 Q322	A320-K324 WeakPolarHBondContact O-CB 3.06Å; A320-K324 WeakPolarHBondContact O-CG 3.03Å; A320-K324 PolarHBondContact O-N 2.93Å; Q322-K324 PolarHBondContact O-N 3.19Å
325	K	62.1	Low	58.8	Low	179 Å²	179	84.7 Å²	84.7	78%	0.778	40%	0.398	S	S	*	.	H	α-helix	trans	-82.2	-17.6	178.6	-68.5	179.5	179.4	-173.4	0	113.7	K321 Q322 F323 Q327	K321-K325 WeakPolarHBondContact O-CG 3.39Å; K321-K325 PolarHBondContact O-N 2.71Å; Q322-K325 PolarHBondContact O-N 3.38Å; Q322-K325 VanDerWaalsContact O-N 3.08Å; F323-K325 PolarHBondContact O-N 2.03Å; K325-Q327 PolarHBondContact O-N 3.29Å
326	A	55.4	Low	58.8	Low	3 Å²	3	83.5 Å²	83.5	3%	0.025	39%	0.391	C	S	.	.			trans	-74.8	115.8	177.3	0	0	0	0	0	110.7	Q322 F323 D331 I335	Q322-A326 PolarHBondContact O-N 3.19Å; F323-A326 PolarHBondContact O-N 3.22Å; A326-D331 HydrophobicContact CB-CB 3.9Å; A326-I335 HydrophobicContact CB-CD1 3.76Å
327	Q	58.5	Low	59	Low	157 Å²	157	84.5 Å²	84.5	73%	0.734	39%	0.394	S	S	*	.			trans	-98.9	-32.1	170.3	-72.3	-178.5	0.9	0	0	111.5	K325	K325-Q327 PolarHBondContact O-N 3.29Å
328	N	70	Confident	58.8	Low	104 Å²	104	83.4 Å²	83.4	56%	0.556	40%	0.398	S	S	*	.	S	Bend	trans	-105.3	153.1	-174.5	-69.9	-9.8	0	0	0	112.8	Y330 D331 F332	N328-Y330 PolarHBondContact O-N 2.86Å; N328-D331 PolarHBondContact O-N 3.41Å; N328-D331 VanDerWaalsContact O-N 3.12Å; N328-F332 PolarHBondContact O-N 2.82Å; N328-F332 VanDerWaalsContact O-N 3.15Å
329	F	67.5	Low	58.1	Low	54 Å²	54	81.2 Å²	81.2	24%	0.237	39%	0.393	C	S	.	.	H	α-helix	trans	-55.4	-39.5	175.4	175.8	-113.8	0	0	0	112.3	D331 F332 K333 L478 R479 F482	F329-D331 VanDerWaalsContact C-N 3.34Å; F329-D331 PolarHBondContact O-N 2.89Å; F329-F332 WeakPolarHBondContact O-CB 3.36Å; F329-F332 PolarHBondContact O-N 3.09Å; F329-K333 HydrophobicContact CE1-CD 4.39Å; F329-K333 WeakPolarHBondContact O-CB 3.14Å; F329-K333 PolarHBondContact O-N 2.71Å; F329-L478 HydrophobicContact CE2-CB 3.88Å; F329-L478 HydrophobicContact CZ-CB 3.85Å; F329-R479 HydrophobicContact CE2-CB 4.21Å; F329-R479 HydrophobicContact CZ-CB 4.32Å; F329-F482 HydrophobicContact CB-CD1 4.26Å; F329-F482 HydrophobicContact CB-CE1 4.27Å; F329-F482 HydrophobicContact CB-CG 4.48Å; F329-F482 HydrophobicContact CB-CZ 4.49Å; F329-F482 HydrophobicContact CD2-CB 3.76Å; F329-F482 HydrophobicContact CD2-CD1 4.21Å; F329-F482 HydrophobicContact CD2-CD2 4.49Å; F329-F482 AromaticContact CD2-CG 3.91Å; F329-F482 HydrophobicContact CD2-CG 3.91Å; F329-F482 HydrophobicContact CE2-CB 4.24Å
330	Y	68.8	Low	57.2	Low	167 Å²	167	85.3 Å²	85.3	66%	0.655	41%	0.411	S	S	*	.	H	α-helix	trans	-61.6	-39.3	177.9	-171.5	-98.8	0	0	0	112.7	N328 K333 K334	N328-Y330 PolarHBondContact O-N 2.86Å; Y330-K333 PolarHBondContact O-N 2.81Å; Y330-K334 WeakPolarHBondContact O-CB 3.39Å; Y330-K334 PolarHBondContact O-N 3.26Å
331	D	62.2	Low	56.1	Low	64 Å²	64	86.6 Å²	86.6	34%	0.342	43%	0.427	S	S	.	.	H	α-helix	trans	-69.5	-39.8	177.1	-65.6	-33.2	0	0	0	111.5	A326 N328 F329 K334 I335	A326-D331 HydrophobicContact CB-CB 3.9Å; N328-D331 PolarHBondContact O-N 3.41Å; N328-D331 VanDerWaalsContact O-N 3.12Å; F329-D331 VanDerWaalsContact C-N 3.34Å; F329-D331 PolarHBondContact O-N 2.89Å; D331-K334 PolarHBondContact O-N 2.98Å; D331-I335 WeakPolarHBondContact O-CD1 3.37Å; D331-I335 WeakPolarHBondContact O-CG1 3.42Å; D331-I335 PolarHBondContact O-N 3.22Å
332	F	59.4	Low	54.8	Low	14 Å²	14	84.7 Å²	84.7	6%	0.061	43%	0.428	C	S	.	.	H	α-helix	trans	-60.9	-48.6	173.7	-177.2	-101.6	0	0	0	111.1	F323 N328 F329 K334 I335 I336 A481 F482 Y485	F323-F332 AromaticContact CD1-CD2 3.7Å; F323-F332 HydrophobicContact CD1-CD2 3.7Å; F323-F332 AromaticContact CD1-CE2 3.9Å; F323-F332 HydrophobicContact CD1-CE2 3.9Å; F323-F332 AromaticContact CE1-CD2 3.64Å; F323-F332 HydrophobicContact CE1-CD2 3.64Å; F323-F332 AromaticContact CE1-CE2 3.68Å; F323-F332 HydrophobicContact CE1-CE2 3.68Å; N328-F332 PolarHBondContact O-N 2.82Å; N328-F332 VanDerWaalsContact O-N 3.15Å; F329-F332 WeakPolarHBondContact O-CB 3.36Å; F329-F332 PolarHBondContact O-N 3.09Å; F332-K334 VanDerWaalsContact C-N 3.32Å; F332-K334 PolarHBondContact O-N 3.08Å; F332-I335 PolarHBondContact O-N 2.92Å; F332-I336 HydrophobicContact CD1-CD1 3.57Å; F332-I336 HydrophobicContact CD1-CG1 4.49Å; F332-I336 HydrophobicContact CD2-CD1 4.32Å; F332-I336 HydrophobicContact CE1-CD1 3.13Å; F332-I336 HydrophobicContact CE1-CG1 4.38Å; F332-I336 HydrophobicContact CE2-CD1 3.94Å; F332-I336 HydrophobicContact CG-CD1 4.16Å; F332-I336 HydrophobicContact CZ-CD1 3.35Å; F332-I336 HydrophobicContact CZ-CG1 4.49Å; F332-I336 WeakPolarHBondContact O-CB 3.36Å; F332-I336 WeakPolarHBondContact O-CG1 3.46Å; F332-I336 PolarHBondContact O-N 3.07Å; F332-A481 HydrophobicContact CE1-CB 4.28Å; F332-A481 HydrophobicContact CZ-CB 4.44Å; F332-F482 HydrophobicContact CB-CD2 3.65Å; F332-F482 HydrophobicContact CB-CE2 4.04Å; F332-F482 HydrophobicContact CD1-CB 3.9Å; F332-F482 AromaticContact CD1-CD2 3.97Å; F332-F482 HydrophobicContact CD1-CD2 3.97Å; F332-F482 HydrophobicContact CD1-CG 4.4Å; F332-F482 HydrophobicContact CD2-CD2 4.08Å; F332-F482 HydrophobicContact CE1-CB 3.95Å; F332-F482 HydrophobicContact CG-CB 4.46Å; F332-F482 AromaticContact CG-CD2 3.67Å; F332-F482 HydrophobicContact CG-CD2 3.67Å; F332-F482 HydrophobicContact CG-CE2 4.47Å; F332-Y485 HydrophobicContact CE2-CD1 4.26Å; F332-Y485 HydrophobicContact CE2-CG 4.27Å
333	K	60.5	Low	53.2	Low	33 Å²	33	90 Å²	90	14%	0.143	45%	0.45	C	S	.	.	H	α-helix	trans	-56.4	-45.4	174.3	-172.2	172.8	-173.5	-178.7	0	110.7	F329 Y330 I335 I336 I337 E475 L478	F329-K333 HydrophobicContact CE1-CD 4.39Å; F329-K333 WeakPolarHBondContact O-CB 3.14Å; F329-K333 PolarHBondContact O-N 2.71Å; Y330-K333 PolarHBondContact O-N 2.81Å; K333-I335 PolarHBondContact O-N 2.82Å; K333-I336 PolarHBondContact O-N 3.08Å; K333-I337 HydrophobicContact CD-CD1 4.13Å; K333-I337 HydrophobicContact CG-CD1 3.42Å; K333-I337 VanDerWaalsContact CG-CD1 3.42Å; K333-I337 HydrophobicContact CG-CG1 4.17Å; K333-I337 WeakPolarHBondContact O-CB 3.29Å; K333-I337 VanDerWaalsContact O-CG1 3.28Å; K333-I337 WeakPolarHBondContact O-CG1 3.14Å; K333-I337 PolarHBondContact O-N 2.7Å; K333-E475 IonicContact NZ-OE1 2.85Å; K333-E475 PolarHBondContact NZ-OE1 2.95Å; K333-L478 HydrophobicContact CD-CD1 4.36Å; K333-L478 HydrophobicContact CG-CD1 4.19Å
334	K	62.8	Low	51.9	Low	98 Å²	98	92.3 Å²	92.3	43%	0.426	47%	0.468	S	S	.	.	H	α-helix	trans	-64.2	-38.8	178.2	-168.1	175.8	-177.5	177.8	0	113.5	Y330 D331 F332 G338	Y330-K334 WeakPolarHBondContact O-CB 3.39Å; Y330-K334 PolarHBondContact O-N 3.26Å; D331-K334 PolarHBondContact O-N 2.98Å; F332-K334 VanDerWaalsContact C-N 3.32Å; F332-K334 PolarHBondContact O-N 3.08Å; K334-G338 PolarHBondContact O-N 3.47Å; K334-G338 VanDerWaalsContact O-N 3.16Å
335	I	58.6	Low	50.3	Low	28 Å²	28	91 Å²	91	14%	0.144	47%	0.469	C	S	.	.	H	α-helix	trans	-69.7	-38.4	177.3	-66.4	161.1	0	0	0	111.2	Q322 F323 A326 D331 F332 K333	Q322-I335 HydrophobicContact CB-CD1 4.08Å; Q322-I335 HydrophobicContact CB-CG1 4.28Å; Q322-I335 HydrophobicContact CB-CG2 4.18Å; Q322-I335 WeakPolarHBondContact O-CD1 3.48Å; F323-I335 HydrophobicContact CD1-CB 4.48Å; F323-I335 HydrophobicContact CD1-CD1 4.33Å; F323-I335 HydrophobicContact CD1-CG2 4Å; F323-I335 HydrophobicContact CD2-CG2 4.27Å; F323-I335 HydrophobicContact CE1-CB 4.05Å; F323-I335 HydrophobicContact CE1-CG2 3.58Å; F323-I335 HydrophobicContact CE2-CG2 3.87Å; F323-I335 HydrophobicContact CG-CG2 4.32Å; F323-I335 HydrophobicContact CZ-CB 4.39Å; F323-I335 HydrophobicContact CZ-CG2 3.51Å; A326-I335 HydrophobicContact CB-CD1 3.76Å; D331-I335 WeakPolarHBondContact O-CD1 3.37Å; D331-I335 WeakPolarHBondContact O-CG1 3.42Å; D331-I335 PolarHBondContact O-N 3.22Å; F332-I335 PolarHBondContact O-N 2.92Å; K333-I335 PolarHBondContact O-N 2.82Å
336	I	52.5	Low	48.6	Very low	64 Å²	64	89 Å²	89	33%	0.328	47%	0.465	S	S	.	.	H	α-helix	trans	-72.5	-54.4	180	-71.8	-178.5	0	0	0	111.6	F323 F332 K333 G338 L478	F323-I336 HydrophobicContact CE1-CD1 4.44Å; F323-I336 HydrophobicContact CE1-CG1 3.9Å; F323-I336 HydrophobicContact CZ-CG1 3.9Å; F332-I336 HydrophobicContact CD1-CD1 3.57Å; F332-I336 HydrophobicContact CD1-CG1 4.49Å; F332-I336 HydrophobicContact CD2-CD1 4.32Å; F332-I336 HydrophobicContact CE1-CD1 3.13Å; F332-I336 HydrophobicContact CE1-CG1 4.38Å; F332-I336 HydrophobicContact CE2-CD1 3.94Å; F332-I336 HydrophobicContact CG-CD1 4.16Å; F332-I336 HydrophobicContact CZ-CD1 3.35Å; F332-I336 HydrophobicContact CZ-CG1 4.49Å; F332-I336 WeakPolarHBondContact O-CB 3.36Å; F332-I336 WeakPolarHBondContact O-CG1 3.46Å; F332-I336 PolarHBondContact O-N 3.07Å; K333-I336 PolarHBondContact O-N 3.08Å; I336-G338 PolarHBondContact O-N 3.18Å; I336-L478 HydrophobicContact CD1-CD2 4.25Å; I336-L478 HydrophobicContact CG2-CD2 4.14Å
337	I	56.2	Low	47.1	Very low	79 Å²	79	97.6 Å²	97.6	41%	0.405	50%	0.502	S	S	.	.	H	α-helix	trans	-68	-18.5	-178.2	-57.6	178.9	0	0	0	110.3	K333 T339	K333-I337 HydrophobicContact CD-CD1 4.13Å; K333-I337 HydrophobicContact CG-CD1 3.42Å; K333-I337 VanDerWaalsContact CG-CD1 3.42Å; K333-I337 HydrophobicContact CG-CG1 4.17Å; K333-I337 WeakPolarHBondContact O-CB 3.29Å; K333-I337 VanDerWaalsContact O-CG1 3.28Å; K333-I337 WeakPolarHBondContact O-CG1 3.14Å; K333-I337 PolarHBondContact O-N 2.7Å; I337-T339 HydrophobicContact CB-CG2 4.24Å; I337-T339 HydrophobicContact CG2-CG2 3.61Å; I337-T339 PolarHBondContact O-N 3Å
338	G	47.5	Very low	45.3	Very low	46 Å²	46	94.7 Å²	94.7	47%	0.474	50%	0.499	S	S	.	.			trans	69.5	19.9	173.9	0	0	0	0	0	113.1	K334 I336 K340	K334-G338 PolarHBondContact O-N 3.47Å; K334-G338 VanDerWaalsContact O-N 3.16Å; I336-G338 PolarHBondContact O-N 3.18Å; G338-K340 PolarHBondContact O-N 3.45Å
339	T	43.5	Very low	43.1	Very low	72 Å²	72	97 Å²	97	44%	0.442	51%	0.512	S	S	.	.			trans	-62	106.9	-179	55.8	0	0	0	0	109.4	I337 G341	I337-T339 HydrophobicContact CB-CG2 4.24Å; I337-T339 HydrophobicContact CG2-CG2 3.61Å; I337-T339 PolarHBondContact O-N 3Å; T339-G341 PolarHBondContact O-N 3.02Å
340	K	34.9	Very low	40.9	Very low	170 Å²	170	98.1 Å²	98.1	74%	0.739	54%	0.538	S	S	*	.			trans	-38.5	131.9	152.3	-68.8	175.1	-180	173.6	0	106.4	G338 V342	G338-K340 PolarHBondContact O-N 3.45Å; K340-V342 VanDerWaalsContact C-N 3.32Å; K340-V342 PolarHBondContact O-N 3Å
341	G	28.4	Very low	38.8	Very low	58 Å²	58	97.7 Å²	97.7	60%	0.598	55%	0.546	S	S	*	.			trans	-48	102.6	177.1	0	0	0	0	0	109.4	T339 K343	T339-G341 PolarHBondContact O-N 3.02Å; G341-K343 PolarHBondContact O-N 3.45Å
342	V	31	Very low	36.9	Very low	110 Å²	110	102.1 Å²	102.1	67%	0.667	57%	0.57	S	S	*	*			trans	-66.2	93.6	153.4	-173.9	0	0	0	0	100.9	K340 T344	K340-V342 VanDerWaalsContact C-N 3.32Å; K340-V342 PolarHBondContact O-N 3Å; V342-T344 HydrophobicContact CB-CG2 4.42Å; V342-T344 HydrophobicContact CG1-CG2 3.52Å; V342-T344 PolarHBondContact O-N 3.25Å
343	K	25.6	Very low	35.2	Very low	179 Å²	179	108.7 Å²	108.7	78%	0.778	61%	0.606	S	S	*	*			trans	-55.6	82.2	149.4	-71	-179.5	175.8	-176.7	0	104	G341 D345	G341-K343 PolarHBondContact O-N 3.45Å; K343-D345 PolarHBondContact O-N 3.36Å
344	T	27.3	Very low	33.3	Very low	95 Å²	95	117.3 Å²	117.3	58%	0.583	64%	0.643	S	S	*	*			trans	-67.9	87.3	153.4	46.7	0	0	0	0	102.9	V342 I346	V342-T344 HydrophobicContact CB-CG2 4.42Å; V342-T344 HydrophobicContact CG1-CG2 3.52Å; V342-T344 PolarHBondContact O-N 3.25Å; T344-I346 HydrophobicContact CG2-CD1 4.36Å; T344-I346 PolarHBondContact O-N 2.93Å
345	D	23.8	Very low	31.4	Very low	136 Å²	136	115.3 Å²	115.3	73%	0.727	65%	0.65	S	S	*	*			trans	-58.5	67	151.6	-70.9	-31.4	0	0	0	106.5	K343 K347	K343-D345 PolarHBondContact O-N 3.36Å; D345-K347 PolarHBondContact O-N 2.87Å
346	I	26.4	Very low	29.7	Very low	138 Å²	138	122.1 Å²	122.1	71%	0.708	68%	0.681	S	S	*	*			trans	-78.3	77.9	160	-64.6	159.1	0	0	0	103.3	T344 S348	T344-I346 HydrophobicContact CG2-CD1 4.36Å; T344-I346 PolarHBondContact O-N 2.93Å; I346-S348 VanDerWaalsContact C-N 3.27Å; I346-S348 PolarHBondContact O-N 2.85Å
347	K	24	Very low	28.3	Very low	183 Å²	183	129.8 Å²	129.8	80%	0.796	71%	0.708	S	S	*	*			trans	-52.4	103.9	149.8	-86.3	179.1	172.1	177.3	0	106.1	D345 N349	D345-K347 PolarHBondContact O-N 2.87Å; K347-N349 PolarHBondContact O-N 2.86Å
348	S	20.6	Very low	26.8	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	72%	0.721	S	S	*	*			trans	30.5	88	140	62.3	0	0	0	0	115.4	I346	I346-S348 VanDerWaalsContact C-N 3.27Å; I346-S348 PolarHBondContact O-N 2.85Å
349	N	24	Very low	25.6	Very low	153 Å²	153	139.4 Å²	139.4	82%	0.818	74%	0.743	S	S	*	*			trans	-107.5	103.4	139.8	-87.2	-9.6	0	0	0	106.2	K347 L351	K347-N349 PolarHBondContact O-N 2.86Å; N349-L351 PolarHBondContact O-N 2.03Å
350	G	20.7	Very low	24.7	Very low	76 Å²	76	144.6 Å²	144.6	78%	0.784	76%	0.759	S	S	*	*			trans	-57.6	111	174.3	0	0	0	0	0	109.5
351	L	24.8	Very low	24.2	Very low	159 Å²	159	145.2 Å²	145.2	83%	0.832	77%	0.767	S	S	*	*			trans	-125.8	94.8	153.3	-105.3	138.1	0	0	0	105.9	N349 N353	N349-L351 PolarHBondContact O-N 2.03Å; L351-N353 PolarHBondContact O-N 2.98Å
352	N	21.3	Very low	24	Very low	156 Å²	156	149.9 Å²	149.9	83%	0.834	78%	0.776	S	S	*	*			trans	-46.1	99.9	162.9	-72.6	-36	0	0	0	109
353	N	24.5	Very low	23.7	Very low	152 Å²	152	152.6 Å²	152.6	81%	0.813	79%	0.787	S	S	*	*			trans	-130.1	101.2	151.6	-96.7	-17.4	0	0	0	107.4	L351 G355	L351-N353 PolarHBondContact O-N 2.98Å; N353-G355 VanDerWaalsContact C-N 3.3Å; N353-G355 PolarHBondContact O-N 2.92Å
354	K	21.3	Very low	23.5	Very low	215 Å²	215	148.3 Å²	148.3	94%	0.935	78%	0.78	S	S	*	*			trans	-50.8	94.3	164.1	-72.5	172.2	171.8	177.3	0	108.5
355	G	22.1	Very low	23.3	Very low	55 Å²	55	153.7 Å²	153.7	57%	0.567	79%	0.79	S	S	*	*			trans	-125.4	61.1	167.7	0	0	0	0	0	107.6	N353 Y357	N353-G355 VanDerWaalsContact C-N 3.3Å; N353-G355 PolarHBondContact O-N 2.92Å; G355-Y357 PolarHBondContact O-N 2.82Å
356	E	22.8	Very low	23.4	Very low	172 Å²	172	155.2 Å²	155.2	80%	0.804	80%	0.797	S	S	*	*			trans	-65.1	78.7	171.7	-159	172.5	-157.1	0	0	107.3	N358	E356-N358 VanDerWaalsContact C-N 3.31Å; E356-N358 PolarHBondContact O-N 3.04Å
357	Y	23.9	Very low	23.2	Very low	224 Å²	224	154 Å²	154	88%	0.878	79%	0.791	S	S	*	*			trans	-73.3	95.5	172.4	-97.4	-87.7	0	0	0	107.5	G355 E359	G355-Y357 PolarHBondContact O-N 2.82Å; Y357-E359 PolarHBondContact O-N 3.07Å
358	N	23.6	Very low	23.1	Very low	128 Å²	128	150.1 Å²	150.1	68%	0.684	79%	0.787	S	S	*	*			trans	-44.7	113.9	-179.3	-71.7	-49.9	0	0	0	112.8	E356 K360	E356-N358 VanDerWaalsContact C-N 3.31Å; E356-N358 PolarHBondContact O-N 3.04Å; N358-K360 PolarHBondContact O-N 2.89Å
359	E	24	Very low	23.2	Very low	200 Å²	200	153.5 Å²	153.5	94%	0.935	79%	0.792	S	S	*	*			trans	-75.3	38.6	174.4	-147.9	176.6	-158.4	0	0	112.2	Y357	Y357-E359 PolarHBondContact O-N 3.07Å
360	K	23.9	Very low	23.2	Very low	181 Å²	181	151.8 Å²	151.8	79%	0.787	79%	0.793	S	S	*	*			trans	-125.8	129.4	-177.6	-72.9	-178.2	179.6	174.6	0	110.6	N358	N358-K360 PolarHBondContact O-N 2.89Å
361	M	24.1	Very low	23.3	Very low	182 Å²	182	155.6 Å²	155.6	90%	0.897	79%	0.794	S	S	*	*	S	Bend	trans	92	53.7	167.8	-60.1	-175.6	135.1	0	0	118.6
362	I	24.6	Very low	23.3	Very low	156 Å²	156	155.1 Å²	155.1	80%	0.8	80%	0.798	S	S	*	*			trans	-138.9	54.3	138.4	-43.3	175.2	0	0	0	109.4	S364	I362-S364 VanDerWaalsContact C-N 3.34Å
363	N	23.3	Very low	23.2	Very low	167 Å²	167	151 Å²	151	89%	0.893	79%	0.793	S	S	*	*			trans	-103.5	57.1	155.9	-81.6	-16	0	0	0	107.3	R365	N363-R365 PolarHBondContact O-N 3.19Å
364	S	23.2	Very low	23.1	Very low	89 Å²	89	154 Å²	154	62%	0.622	79%	0.792	S	S	*	*			trans	-74.8	86.1	164.5	55.9	0	0	0	0	107	I362 L366	I362-S364 VanDerWaalsContact C-N 3.34Å; S364-L366 VanDerWaalsContact C-N 3.31Å; S364-L366 PolarHBondContact O-N 3Å
365	R	23	Very low	23.2	Very low	209 Å²	209	152.7 Å²	152.7	79%	0.789	79%	0.79	S	S	*	*			trans	-44.1	98.5	158.5	-160.8	-178.9	-167.4	154.4	1.1	107	N363 D367	N363-R365 PolarHBondContact O-N 3.19Å; R365-D367 IonicContact NE-OD1 3.07Å; R365-D367 PolarHBondContact O-N 2.87Å
366	L	24.6	Very low	23.3	Very low	167 Å²	167	159.7 Å²	159.7	87%	0.874	81%	0.805	S	S	*	*			trans	-71.5	83.6	170.9	-97.9	145.1	0	0	0	106.1	S364 S368	S364-L366 VanDerWaalsContact C-N 3.31Å; S364-L366 PolarHBondContact O-N 3Å; L366-S368 PolarHBondContact O-N 3.31Å
367	D	22.8	Very low	23.4	Very low	112 Å²	112	157.4 Å²	157.4	60%	0.599	80%	0.797	S	S	*	*			trans	-62.7	127.1	172.4	-76.8	-35.8	0	0	0	109	R365 H369	R365-D367 IonicContact NE-OD1 3.07Å; R365-D367 PolarHBondContact O-N 2.87Å; D367-H369 PolarHBondContact O-N 3.35Å
368	S	22.8	Very low	23.4	Very low	102 Å²	102	155.8 Å²	155.8	71%	0.713	80%	0.797	S	S	*	*	S	Bend	trans	-77	51.4	-172.6	50.7	0	0	0	0	113.6	L366	L366-S368 PolarHBondContact O-N 3.31Å
369	H	22.8	Very low	23.4	Very low	168 Å²	168	158.6 Å²	158.6	78%	0.778	81%	0.806	S	S	*	*			trans	-135.8	75.2	178.1	-67.3	-60.2	0	0	0	112.2	D367	D367-H369 PolarHBondContact O-N 3.35Å
370	S	22.4	Very low	23.3	Very low	118 Å²	118	153.6 Å²	153.6	83%	0.825	79%	0.793	S	S	*	*			trans	-158.2	60.7	152.8	40.4	0	0	0	0	110.2
371	L	24	Very low	23.3	Very low	156 Å²	156	153 Å²	153	82%	0.817	80%	0.798	S	S	*	*			trans	-65.9	148.5	148.3	-89.5	91.5	0	0	0	107.9
372	T	23.6	Very low	23.2	Very low	148 Å²	148	148.5 Å²	148.5	91%	0.908	78%	0.784	S	S	*	*			trans	91.6	73.9	175.3	71.1	0	0	0	0	116.1
373	G	20.9	Very low	23.2	Very low	71 Å²	71	147 Å²	147	73%	0.732	79%	0.787	S	S	*	*	S	Bend	trans	178.1	37.8	167.1	0	0	0	0	0	118.6
374	R	22.1	Very low	23.3	Very low	213 Å²	213	143.2 Å²	143.2	80%	0.804	77%	0.774	S	S	*	*			trans	-178	81.1	153.1	-108	167.5	173.7	163.1	-1.5	111.7
375	Q	23	Very low	23.3	Very low	189 Å²	189	148.4 Å²	148.4	88%	0.883	78%	0.782	S	S	*	*			trans	-70.7	146.4	139.1	-73.8	169.8	-19.2	0	0	107.1
376	K	24.6	Very low	23.4	Very low	201 Å²	201	146 Å²	146	87%	0.874	78%	0.784	S	S	*	*			trans	94.7	41.1	179	-55.4	-176	174.3	-176.8	0	118.6
377	I	23.8	Very low	23.3	Very low	125 Å²	125	145.3 Å²	145.3	64%	0.641	78%	0.781	S	S	*	*			trans	-130.8	66.8	149.1	-48.7	175.3	0	0	0	107.3
378	Q	23.4	Very low	23.3	Very low	189 Å²	189	146.5 Å²	146.5	88%	0.883	79%	0.787	S	S	*	*	S	Bend	trans	-126.5	15.2	176.5	-152.2	179.8	-17	0	0	112.7
379	E	24.2	Very low	23.3	Very low	187 Å²	187	147.5 Å²	147.5	87%	0.874	78%	0.783	S	S	*	*	S	Bend	trans	-130.4	11.2	-172.2	-79.6	-176.2	160.3	0	0	116.5
380	S	23.2	Very low	23.1	Very low	95 Å²	95	148 Å²	148	66%	0.664	79%	0.786	S	S	*	*	S	Bend	trans	-140.8	22.4	-176.9	64.5	0	0	0	0	117
381	L	23.3	Very low	23.1	Very low	169 Å²	169	151 Å²	151	89%	0.885	79%	0.785	S	S	*	*			trans	-119.3	53.4	163.6	-66.5	172.2	0	0	0	110	S383	L381-S383 PolarHBondContact O-N 2.82Å
382	S	22.4	Very low	23.1	Very low	87 Å²	87	149 Å²	149	61%	0.608	78%	0.783	S	S	*	*			trans	-68.4	108.4	163.3	-63.7	0	0	0	0	109.8	S384	S382-S384 VanDerWaalsContact C-N 3.32Å; S382-S384 PolarHBondContact O-N 2.02Å; S382-S384 PolarHBondContact O-OG 2.85Å
383	S	24.4	Very low	22.9	Very low	124 Å²	124	146.2 Å²	146.2	87%	0.867	78%	0.784	S	S	*	*	S	Bend	trans	51.6	15.3	136.1	68.2	0	0	0	0	121.8	L381	L381-S383 PolarHBondContact O-N 2.82Å
384	S	24.4	Very low	22.9	Very low	89 Å²	89	146 Å²	146	62%	0.622	78%	0.782	S	S	*	*	S	Bend	trans	-112	-6.5	-180	48.9	0	0	0	0	116.9	S382	S382-S384 VanDerWaalsContact C-N 3.32Å; S382-S384 PolarHBondContact O-N 2.02Å; S382-S384 PolarHBondContact O-OG 2.85Å
385	Y	23.7	Very low	22.9	Very low	197 Å²	197	144.2 Å²	144.2	77%	0.773	79%	0.787	S	S	*	*	S	Bend	trans	-110.7	7.3	-177.2	-79.7	-79.8	0	0	0	116.2
386	L	24.7	Very low	22.7	Very low	160 Å²	160	137.8 Å²	137.8	84%	0.838	77%	0.771	S	S	*	*	S	Bend	trans	-91.4	2.3	176.5	-75.7	178.2	0	0	0	114.7
387	N	23.4	Very low	22.5	Very low	152 Å²	152	131.9 Å²	131.9	81%	0.813	77%	0.767	S	S	*	*	S	Bend	trans	-96.2	-3.1	-178.8	-78.2	-3.1	0	0	0	115.7
388	D	22.4	Very low	22.3	Very low	136 Å²	136	128 Å²	128	73%	0.727	76%	0.758	S	S	*	*			trans	-118.5	14.9	-169.5	-73.7	-13	0	0	0	116.2	Q390	D388-Q390 PolarHBondContact O-N 2.86Å
389	I	21.8	Very low	22.3	Very low	123 Å²	123	126 Å²	126	63%	0.631	75%	0.752	S	S	*	*			trans	-86	67.1	166.6	-45.4	-178.8	0	0	0	109.1	F391	I389-F391 HydrophobicContact CB-CE2 4.41Å; I389-F391 HydrophobicContact CG2-CD2 3.72Å; I389-F391 HydrophobicContact CG2-CE1 4.25Å; I389-F391 HydrophobicContact CG2-CE2 3.31Å; I389-F391 HydrophobicContact CG2-CG 4.35Å; I389-F391 HydrophobicContact CG2-CZ 3.61Å; I389-F391 PolarHBondContact O-N 3.12Å; I389-F391 VanDerWaalsContact O-N 3.13Å
390	Q	19.4	Very low	22.2	Very low	178 Å²	178	124.4 Å²	124.4	83%	0.832	74%	0.742	S	S	*	*			trans	-72.8	95	165.6	-154.5	175.4	37.4	0	0	106.6	D388 S392	D388-Q390 PolarHBondContact O-N 2.86Å; Q390-S392 PolarHBondContact O-N 2.81Å
391	F	22.4	Very low	22.2	Very low	183 Å²	183	124.1 Å²	124.1	80%	0.803	75%	0.745	S	S	*	*			trans	-66.1	103.4	171.6	-77.3	-81.6	0	0	0	108.4	I389 G393	I389-F391 HydrophobicContact CB-CE2 4.41Å; I389-F391 HydrophobicContact CG2-CD2 3.72Å; I389-F391 HydrophobicContact CG2-CE1 4.25Å; I389-F391 HydrophobicContact CG2-CE2 3.31Å; I389-F391 HydrophobicContact CG2-CG 4.35Å; I389-F391 HydrophobicContact CG2-CZ 3.61Å; I389-F391 PolarHBondContact O-N 3.12Å; I389-F391 VanDerWaalsContact O-N 3.13Å; F391-G393 PolarHBondContact O-N 2.53Å
392	S	22.9	Very low	22.1	Very low	113 Å²	113	123.3 Å²	123.3	79%	0.79	74%	0.742	S	S	*	*			trans	-46.8	129	166.9	-53.9	0	0	0	0	109.4	Q390 G394	Q390-S392 PolarHBondContact O-N 2.81Å; S392-G394 PolarHBondContact O-N 2.91Å
393	G	19.9	Very low	22.1	Very low	89 Å²	89	124.7 Å²	124.7	92%	0.918	75%	0.752	S	S	*	*			trans	-42.6	107.8	-172.2	0	0	0	0	0	114	F391	F391-G393 PolarHBondContact O-N 2.53Å
394	G	20.5	Very low	22.1	Very low	67 Å²	67	124.7 Å²	124.7	69%	0.691	74%	0.742	S	S	*	*			trans	-126.4	107.3	171.6	0	0	0	0	0	108	S392 G396	S392-G394 PolarHBondContact O-N 2.91Å; G394-G396 PolarHBondContact O-N 2.85Å
395	I	22.2	Very low	22	Very low	176 Å²	176	131.4 Å²	131.4	90%	0.903	75%	0.753	S	S	*	*			trans	-54.5	104.2	171.9	-64.2	158.5	0	0	0	106.9	G397	I395-G397 PolarHBondContact O-N 3.21Å
396	G	20.5	Very low	22.1	Very low	53 Å²	53	129.3 Å²	129.3	55%	0.546	75%	0.754	S	S	.	*			trans	-62.1	103.2	-175.3	0	0	0	0	0	110.9	G394 G398	G394-G396 PolarHBondContact O-N 2.85Å; G396-G398 PolarHBondContact O-N 2.71Å; G396-G398 VanDerWaalsContact O-N 3.12Å
397	G	18.6	Very low	22	Very low	77 Å²	77	132 Å²	132	79%	0.794	75%	0.753	S	S	*	*			trans	-61	107.5	179.2	0	0	0	0	0	111.5	I395	I395-G397 PolarHBondContact O-N 3.21Å
398	G	19.8	Very low	22.1	Very low	44 Å²	44	134.4 Å²	134.4	45%	0.454	76%	0.757	S	S	.	*	P	Polyproline II helix	trans	-78.8	140.3	167.2	0	0	0	0	0	111.2	G396	G396-G398 PolarHBondContact O-N 2.71Å; G396-G398 VanDerWaalsContact O-N 3.12Å
399	I	24.3	Very low	22.3	Very low	148 Å²	148	134.3 Å²	134.3	76%	0.759	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-69.3	124	-169.9	-57.9	159.3	0	0	0	111.9
400	F	22.5	Very low	22.3	Very low	152 Å²	152	133.7 Å²	133.7	67%	0.667	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-96.3	117.5	163.9	-69.6	-88.8	0	0	0	109.6	H634	F400-H634 AromaticContact CZ-CE1 3.69Å; F400-H634 AromaticContact CZ-NE2 3.55Å
401	A	23	Very low	22.7	Very low	89 Å²	89	132.4 Å²	132.4	74%	0.736	76%	0.76	S	S	*	*			trans	-108.7	109.4	158.8	0	0	0	0	0	107	S403	A401-S403 PolarHBondContact O-N 3.44Å
402	D	21.1	Very low	22.6	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	76%	0.759	S	S	*	*			trans	-53.1	98.4	172.1	-87.5	-27.8	0	0	0	109.6	L404	D402-L404 VanDerWaalsContact C-N 3.35Å; D402-L404 PolarHBondContact O-N 3.27Å
403	S	22.8	Very low	22.7	Very low	116 Å²	116	136 Å²	136	81%	0.811	76%	0.758	S	S	*	*			trans	-72	98	172	64.2	0	0	0	0	107.9	A401 R405	A401-S403 PolarHBondContact O-N 3.44Å; S403-R405 PolarHBondContact O-N 3.02Å
404	L	24.3	Very low	22.8	Very low	124 Å²	124	135.4 Å²	135.4	65%	0.649	75%	0.752	S	S	*	*			trans	-47.1	115.4	172.9	-72	166.3	0	0	0	109.6	D402 L406	D402-L404 VanDerWaalsContact C-N 3.35Å; D402-L404 PolarHBondContact O-N 3.27Å; L404-L406 HydrophobicContact CB-CD1 4.17Å; L404-L406 PolarHBondContact O-N 3.07Å
405	R	21.6	Very low	22.8	Very low	230 Å²	230	143.8 Å²	143.8	87%	0.868	76%	0.763	S	S	*	*			trans	-60.6	79.9	166	-163	177.4	-167.8	147.4	0.9	108.1	S403 R407	S403-R405 PolarHBondContact O-N 3.02Å; R405-R407 VanDerWaalsContact C-N 3.26Å; R405-R407 PolarHBondContact O-N 3.07Å
406	L	26	Very low	22.8	Very low	152 Å²	152	139.9 Å²	139.9	80%	0.796	76%	0.757	S	S	*	*			trans	-64.1	96.9	166.3	-93.5	89.5	0	0	0	106.6	L404 K408	L404-L406 HydrophobicContact CB-CD1 4.17Å; L404-L406 PolarHBondContact O-N 3.07Å; L406-K408 PolarHBondContact O-N 2.97Å
407	R	22.7	Very low	23	Very low	217 Å²	217	145 Å²	145	82%	0.819	77%	0.77	S	S	*	*			trans	-57.3	95.1	163.8	-73.6	-178.2	-173.2	167.9	2.4	106.4	R405 I409	R405-R407 VanDerWaalsContact C-N 3.26Å; R405-R407 PolarHBondContact O-N 3.07Å; R407-I409 PolarHBondContact O-N 3.32Å
408	K	25.8	Very low	23.2	Very low	202 Å²	202	146.9 Å²	146.9	88%	0.878	77%	0.766	S	S	*	*			trans	-65.1	91.1	166.1	-149.5	177.2	-173.2	-178.5	0	105.4	L406 S410	L406-K408 PolarHBondContact O-N 2.97Å; K408-S410 PolarHBondContact O-N 3.43Å; K408-S410 VanDerWaalsContact O-N 3.11Å
409	I	26.6	Very low	23.5	Very low	135 Å²	135	150.3 Å²	150.3	69%	0.692	78%	0.78	S	S	*	*			trans	-60.4	114.7	170.4	-69.8	163.7	0	0	0	105.4	R407 N411	R407-I409 PolarHBondContact O-N 3.32Å; I409-N411 PolarHBondContact O-N 3.39Å
410	S	21.7	Very low	23.5	Very low	109 Å²	109	150.7 Å²	150.7	76%	0.762	78%	0.783	S	S	*	*			trans	-68.5	94	179.1	60.6	0	0	0	0	109	K408 R412	K408-S410 PolarHBondContact O-N 3.43Å; K408-S410 VanDerWaalsContact O-N 3.11Å; S410-R412 PolarHBondContact O-N 3.12Å
411	N	27.2	Very low	23.6	Very low	151 Å²	151	149.4 Å²	149.4	81%	0.807	79%	0.793	S	S	*	*			trans	-92.5	103.5	163.1	-76.2	-7.2	0	0	0	108.7	I409	I409-N411 PolarHBondContact O-N 3.39Å
412	R	21.1	Very low	23.8	Very low	206 Å²	206	150.5 Å²	150.5	78%	0.777	80%	0.796	S	S	*	*			trans	-44.5	144.5	163.9	-175.3	175.3	-179.1	162.3	1.5	112.4	S410	S410-R412 PolarHBondContact O-N 3.12Å
413	E	23.9	Very low	23.9	Very low	166 Å²	166	150.5 Å²	150.5	78%	0.776	80%	0.796	S	S	*	*			trans	64.1	105.3	158.6	-71.4	160.5	-147.4	0	0	118.4
414	G	22.4	Very low	24	Very low	77 Å²	77	152.4 Å²	152.4	79%	0.794	80%	0.797	S	S	*	*			trans	-153.7	87.8	162.8	0	0	0	0	0	109.2	A416	G414-A416 PolarHBondContact O-N 2.8Å
415	R	20.9	Very low	23.9	Very low	243 Å²	243	152.7 Å²	152.7	92%	0.917	80%	0.799	S	S	*	*			trans	-53.1	133	171.1	-76.6	175.1	173.7	170.9	-2.4	108.9	I417	R415-I417 PolarHBondContact O-N 2.84Å; R415-I417 VanDerWaalsContact O-N 3.11Å
416	A	21.4	Very low	24.1	Very low	93 Å²	93	148.4 Å²	148.4	77%	0.769	79%	0.794	S	S	*	*			trans	-60.8	112.3	172.6	0	0	0	0	0	109	G414 V418	G414-A416 PolarHBondContact O-N 2.8Å; A416-V418 PolarHBondContact O-N 3.19Å
417	I	24.9	Very low	24.1	Very low	161 Å²	161	148.1 Å²	148.1	83%	0.826	79%	0.793	S	S	*	*			trans	-74.2	108.5	168.6	-60.6	172	0	0	0	105.5	R415 P419	R415-I417 PolarHBondContact O-N 2.84Å; R415-I417 VanDerWaalsContact O-N 3.11Å; I417-P419 WeakPolarHBondContact O-CD 3.43Å
418	V	22.6	Very low	24.1	Very low	117 Å²	117	147.5 Å²	147.5	71%	0.709	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.7	120.4	170.9	178.5	0	0	0	0	106.7	A416 D420	A416-V418 PolarHBondContact O-N 3.19Å; V418-D420 PolarHBondContact O-N 2.82Å
419	P	27	Very low	24	Very low	116 Å²	116	146.8 Å²	146.8	75%	0.753	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.8	119	175.2	25.7	-29.6	0	0	0	109.3	I417 S421	I417-P419 WeakPolarHBondContact O-CD 3.43Å; P419-S421 PolarHBondContact O-N 3.04Å
420	D	25	Very low	23.9	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60	129.7	173.4	-79.4	-38.2	0	0	0	110.7	V418 S422	V418-D420 PolarHBondContact O-N 2.82Å; D420-S422 PolarHBondContact O-N 3.27Å; D420-S422 VanDerWaalsContact O-N 3.13Å
421	S	23.1	Very low	24.1	Very low	125 Å²	125	145.9 Å²	145.9	87%	0.874	80%	0.799	S	S	*	*			trans	-66.8	105.1	174.8	62.8	0	0	0	0	110	P419	P419-S421 PolarHBondContact O-N 3.04Å
422	S	27.4	Very low	23.9	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	80%	0.8	S	S	*	*			trans	-116.3	113.1	171.3	176.7	0	0	0	0	109.7	D420	D420-S422 PolarHBondContact O-N 3.27Å; D420-S422 VanDerWaalsContact O-N 3.13Å
423	N	23.4	Very low	24	Very low	152 Å²	152	145.5 Å²	145.5	81%	0.813	80%	0.802	S	S	*	*			trans	-38.7	127.9	164.7	-96.7	-29.1	0	0	0	112.6
424	N	26.1	Very low	24	Very low	157 Å²	157	144.5 Å²	144.5	84%	0.84	80%	0.8	S	S	*	*				-166.2	143.3	121.2	-116.7	-28.9	0	0	0	114.3
425	N	22.2	Very low	24.1	Very low	129 Å²	129	146.5 Å²	146.5	69%	0.69	79%	0.793	S	S	*	*			trans	-64.8	159.5	178.3	-75.6	-44.7	0	0	0	113.8
426	N	24.3	Very low	24.4	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	78%	0.783	S	S	*	*			trans	92.1	128.8	148.1	-60	-28.5	0	0	0	120.1
427	N	26.7	Very low	24.7	Very low	146 Å²	146	140.9 Å²	140.9	78%	0.781	78%	0.779	S	S	*	*			trans	87.5	96.7	150	-64.8	-17	0	0	0	119.4	Q429	N427-Q429 PolarHBondContact O-N 3.06Å
428	K	23.2	Very low	24.9	Very low	204 Å²	204	137.6 Å²	137.6	89%	0.887	77%	0.767	S	S	*	*			trans	3.1	104.2	133.2	-67.4	176.2	177.3	176.6	0	114.9
429	Q	24	Very low	25.2	Very low	187 Å²	187	139.6 Å²	139.6	87%	0.874	77%	0.769	S	S	*	*			trans	-163.7	121.7	147.4	-109.6	164.7	22.4	0	0	111.8	N427	N427-Q429 PolarHBondContact O-N 3.06Å
430	S	23.8	Very low	25.1	Very low	99 Å²	99	141.1 Å²	141.1	69%	0.692	76%	0.764	S	S	*	*			trans	50.5	126.5	159.8	61.7	0	0	0	0	120.7	L432	S430-L432 PolarHBondContact O-N 3.46Å; S430-L432 VanDerWaalsContact O-N 3.16Å
431	P	24.9	Very low	25.2	Very low	126 Å²	126	136.9 Å²	136.9	82%	0.818	75%	0.746	S	S	*	*			trans	-65.2	116.4	173.4	27.8	-31.8	0	0	0	110.1	K433	P431-K433 PolarHBondContact O-N 3.01Å
432	L	23.6	Very low	25.4	Very low	161 Å²	161	138.3 Å²	138.3	84%	0.843	74%	0.739	S	S	*	*			trans	-54.7	99.9	172.8	-79.3	150.9	0	0	0	109.7	S430 I434	S430-L432 PolarHBondContact O-N 3.46Å; S430-L432 VanDerWaalsContact O-N 3.16Å; L432-I434 VanDerWaalsContact C-N 3.31Å; L432-I434 PolarHBondContact O-N 3.24Å
433	K	23.4	Very low	25.4	Very low	188 Å²	188	139.9 Å²	139.9	82%	0.817	74%	0.737	S	S	*	*			trans	-65.6	96.6	159.6	-79.5	-178.9	177	177.3	0	106.9	P431 N435	P431-K433 PolarHBondContact O-N 3.01Å; K433-N435 PolarHBondContact O-N 3.31Å
434	I	23.5	Very low	25.6	Very low	144 Å²	144	140 Å²	140	74%	0.738	74%	0.737	S	S	*	*			trans	-68.8	87.7	171.6	-59.8	165.6	0	0	0	106.8	L432 L436	L432-I434 VanDerWaalsContact C-N 3.31Å; L432-I434 PolarHBondContact O-N 3.24Å; I434-L436 PolarHBondContact O-N 3.2Å; I434-L436 VanDerWaalsContact O-N 3.11Å
435	N	25.3	Very low	25.5	Very low	119 Å²	119	136.5 Å²	136.5	64%	0.636	72%	0.724	S	S	*	*			trans	-70.6	100.5	168.7	-79.2	-23.4	0	0	0	107.4	K433 A437 T438	K433-N435 PolarHBondContact O-N 3.31Å; N435-A437 PolarHBondContact O-N 3.17Å; N435-T438 PolarHBondContact O-OG1 2.97Å
436	L	26.5	Very low	25.7	Very low	134 Å²	134	140.1 Å²	140.1	70%	0.702	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-1.3	177.1	-139.3	92.3	0	0	0	114	I434	I434-L436 PolarHBondContact O-N 3.2Å; I434-L436 VanDerWaalsContact O-N 3.11Å
437	A	27.1	Very low	25.7	Very low	84 Å²	84	138.9 Å²	138.9	69%	0.694	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-16.9	-176.9	0	0	0	0	0	113.6	N435	N435-A437 PolarHBondContact O-N 3.17Å
438	T	30.9	Very low	25.6	Very low	93 Å²	93	139.6 Å²	139.6	57%	0.571	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-89.2	-13.2	-172.3	-14.8	0	0	0	0	114.7	N435 F440 S441	N435-T438 PolarHBondContact O-OG1 2.97Å; T438-F440 VanDerWaalsContact C-N 3.28Å; T438-F440 PolarHBondContact O-N 3.12Å; T438-S441 PolarHBondContact O-OG 2.98Å
439	E	27.5	Very low	25.7	Very low	159 Å²	159	139.5 Å²	139.5	74%	0.743	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-76.1	-13.2	176.9	-89.5	-173.3	156.6	0	0	113.7
440	F	25.6	Very low	25.7	Very low	148 Å²	148	138.8 Å²	138.8	65%	0.649	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-105.9	-0.7	-175.4	-67.7	-74.4	0	0	0	115.5	T438	T438-F440 VanDerWaalsContact C-N 3.28Å; T438-F440 PolarHBondContact O-N 3.12Å
441	S	27.6	Very low	25.6	Very low	66 Å²	66	140.6 Å²	140.6	46%	0.462	73%	0.73	S	S	.	*	S	Bend	trans	-84.3	-18.1	179.8	33.6	0	0	0	0	114.6	T438 I443	T438-S441 PolarHBondContact O-OG 2.98Å; S441-I443 VanDerWaalsContact C-N 3.33Å; S441-I443 PolarHBondContact O-N 2.65Å
442	H	26.2	Very low	25.5	Very low	155 Å²	155	140.1 Å²	140.1	72%	0.718	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-8.6	-177	-75.7	-77.3	0	0	0	115
443	I	27.6	Very low	25.4	Very low	146 Å²	146	140.9 Å²	140.9	75%	0.749	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-15.5	-179.6	-58.6	177	0	0	0	112	S441	S441-I443 VanDerWaalsContact C-N 3.33Å; S441-I443 PolarHBondContact O-N 2.65Å
444	L	28.4	Very low	25.6	Very low	155 Å²	155	138.6 Å²	138.6	81%	0.812	72%	0.72	S	S	*	*	S	Bend	trans	-97.2	-0.1	-177.1	-85.6	156.3	0	0	0	115
445	S	24.2	Very low	25.6	Very low	83 Å²	83	138 Å²	138	58%	0.58	72%	0.718	S	S	*	*			trans	-97.3	12.3	-177.6	59.2	0	0	0	0	115.5	T447	S445-T447 VanDerWaalsContact C-N 3.33Å; S445-T447 PolarHBondContact O-N 3.41Å
446	K	25.9	Very low	25.5	Very low	205 Å²	205	139.9 Å²	139.9	89%	0.891	72%	0.723	S	S	*	*			trans	-92.2	71.7	161.2	-78.5	-173.4	176.4	-177.3	0	110.4
447	T	24.5	Very low	25.4	Very low	115 Å²	115	139.5 Å²	139.5	71%	0.706	73%	0.727	S	S	*	*			trans	-52.2	140.2	134.3	45	0	0	0	0	106.3	S445	S445-T447 VanDerWaalsContact C-N 3.33Å; S445-T447 PolarHBondContact O-N 3.41Å
448	H	23.5	Very low	25.2	Very low	161 Å²	161	143.9 Å²	143.9	75%	0.745	73%	0.732	S	S	*	*				173.2	64.9	64.1	-158.7	-67.7	0	0	0	108.3
449	E	26.5	Very low	24.8	Very low	201 Å²	201	147.9 Å²	147.9	94%	0.939	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-102.7	129.6	168.8	-85.4	-174.5	171.9	0	0	110.8
450	Q	23.6	Very low	24.8	Very low	172 Å²	172	145.3 Å²	145.3	80%	0.804	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-71.5	130.1	-155.5	-70.5	156.6	-33.4	0	0	111.2	P452	Q450-P452 VanDerWaalsContact O-CD 3.26Å; Q450-P452 WeakPolarHBondContact O-CD 2.99Å
451	L	21.1	Very low	24.7	Very low	138 Å²	138	147 Å²	147	72%	0.723	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-59	117.3	161.7	-170.3	80.3	0	0	0	109.5	K453	L451-K453 HydrophobicContact CD2-CG 3.74Å; L451-K453 HydrophobicContact CG-CG 4.37Å; L451-K453 PolarHBondContact O-N 3.24Å
452	P	23.6	Very low	24.7	Very low	116 Å²	116	151.1 Å²	151.1	75%	0.753	76%	0.762	S	S	*	*			trans	-74.6	103.7	157.2	-3.6	22.9	0	0	0	106.3	Q450 D454	Q450-P452 VanDerWaalsContact O-CD 3.26Å; Q450-P452 WeakPolarHBondContact O-CD 2.99Å; P452-D454 PolarHBondContact O-N 3.22Å
453	K	21.7	Very low	24.7	Very low	176 Å²	176	150.3 Å²	150.3	77%	0.765	76%	0.763	S	S	*	*			trans	-73.3	97.9	162.1	-72.5	176.5	176	175.9	0	106.5	L451	L451-K453 HydrophobicContact CD2-CG 3.74Å; L451-K453 HydrophobicContact CG-CG 4.37Å; L451-K453 PolarHBondContact O-N 3.24Å
454	D	25.8	Very low	24.8	Very low	140 Å²	140	149.4 Å²	149.4	75%	0.749	77%	0.769	S	S	*	*			trans	-142.8	127.4	162.4	-93.5	-37.5	0	0	0	111.9	P452	P452-D454 PolarHBondContact O-N 3.22Å
455	L	24.6	Very low	24.5	Very low	131 Å²	131	144.8 Å²	144.8	69%	0.686	76%	0.759	S	S	*	*			trans	60.6	96.3	158.5	-90.3	57.1	0	0	0	117.5
456	Q	23.9	Very low	24.6	Very low	160 Å²	160	143.6 Å²	143.6	75%	0.748	76%	0.76	S	S	*	*				75.3	100.9	87	-75.6	179.6	29.1	0	0	112.6	H458	Q456-H458 PolarHBondContact O-N 3.46Å; Q456-H458 VanDerWaalsContact O-N 3.14Å
457	T	24.1	Very low	24.8	Very low	126 Å²	126	143.9 Å²	143.9	77%	0.773	76%	0.757	S	S	*	*			trans	40.9	65.3	130.6	53.2	0	0	0	0	116
458	H	22.6	Very low	25.2	Very low	175 Å²	175	145.4 Å²	145.4	81%	0.81	76%	0.76	S	S	*	*			trans	-90.3	96.9	142.8	-115	-71.1	0	0	0	106.9	Q456 V460	Q456-H458 PolarHBondContact O-N 3.46Å; Q456-H458 VanDerWaalsContact O-N 3.14Å; H458-V460 HydrophobicContact CB-CG2 4.45Å; H458-V460 PolarHBondContact O-N 3.44Å
459	E	21.6	Very low	25.8	Very low	177 Å²	177	144.4 Å²	144.4	83%	0.827	76%	0.76	S	S	*	*			trans	-57.5	76.7	158.2	-74.2	-179.9	146.4	0	0	108	K461	E459-K461 PolarHBondContact O-N 3.3Å
460	V	27.6	Very low	26.3	Very low	105 Å²	105	142.4 Å²	142.4	64%	0.636	75%	0.751	S	S	*	*			trans	-71	100.1	158.1	-179.9	0	0	0	0	103.3	H458 I462	H458-V460 HydrophobicContact CB-CG2 4.45Å; H458-V460 PolarHBondContact O-N 3.44Å; V460-I462 HydrophobicContact CG1-CG1 4.25Å; V460-I462 PolarHBondContact O-N 3.05Å
461	K	23.8	Very low	27.2	Very low	185 Å²	185	140.5 Å²	140.5	80%	0.804	74%	0.742	S	S	*	*			trans	-50.3	91	158.7	-77.3	178.1	176.1	178.6	0	106.1	E459 D463	E459-K461 PolarHBondContact O-N 3.3Å; K461-D463 PolarHBondContact O-N 3.1Å
462	I	28.1	Very low	28.5	Very low	151 Å²	151	138.4 Å²	138.4	77%	0.774	74%	0.739	S	S	*	*			trans	-72.1	94.2	163.5	-60.7	168.8	0	0	0	101.5	V460 S464	V460-I462 HydrophobicContact CG1-CG1 4.25Å; V460-I462 PolarHBondContact O-N 3.05Å; I462-S464 PolarHBondContact O-N 3.18Å
463	D	25.1	Very low	29.7	Very low	139 Å²	139	136.7 Å²	136.7	74%	0.743	72%	0.718	S	S	*	*			trans	-39.4	132.7	165.7	-82.9	-32.9	0	0	0	106.8	K461 G465	K461-D463 PolarHBondContact O-N 3.1Å; D463-G465 PolarHBondContact O-N 3.13Å
464	S	30.2	Very low	31.7	Very low	126 Å²	126	131.2 Å²	131.2	88%	0.881	70%	0.702	S	S	*	*			trans	-64.5	62.9	175.6	-48.3	0	0	0	0	109.2	I462 G466	I462-S464 PolarHBondContact O-N 3.18Å; S464-G466 PolarHBondContact O-N 3.39Å
465	G	23.3	Very low	33.5	Very low	58 Å²	58	129.4 Å²	129.4	60%	0.598	69%	0.689	S	S	*	*			trans	-61.4	81.7	146.4	0	0	0	0	0	104.1	D463 Y467	D463-G465 PolarHBondContact O-N 3.13Å; G465-Y467 PolarHBondContact O-N 2.92Å
466	G	25.1	Very low	35.3	Very low	59 Å²	59	128.3 Å²	128.3	61%	0.608	68%	0.684	S	S	*	*			trans	-47.9	97.3	153.3	0	0	0	0	0	104	S464 L468	S464-G466 PolarHBondContact O-N 3.39Å; G466-L468 PolarHBondContact O-N 2.94Å
467	Y	30.8	Very low	36.8	Very low	211 Å²	211	125.8 Å²	125.8	83%	0.827	67%	0.672	S	S	*	*			trans	-51.3	93.1	143.2	-76.7	-87.8	0	0	0	101.9	G465 N469	G465-Y467 PolarHBondContact O-N 2.92Å; Y467-N469 PolarHBondContact O-N 3.45Å
468	L	33.1	Very low	38.3	Very low	147 Å²	147	120.3 Å²	120.3	77%	0.77	64%	0.638	S	S	*	*			trans	-47.3	89.7	146.8	-81.7	148.1	0	0	0	101.8	G466 E470	G466-L468 PolarHBondContact O-N 2.94Å; L468-E470 HydrophobicContact CB-CG 4.23Å; L468-E470 PolarHBondContact O-N 3.1Å
469	N	36.3	Very low	40.3	Very low	139 Å²	139	119.1 Å²	119.1	74%	0.743	63%	0.626	S	S	*	*			trans	-52.6	82.4	137.8	-69.2	-24.4	0	0	0	101.7	Y467 E471	Y467-N469 PolarHBondContact O-N 3.45Å; N469-E471 PolarHBondContact O-N 2.7Å
470	E	36.3	Very low	42.1	Very low	159 Å²	159	118.2 Å²	118.2	74%	0.743	62%	0.615	S	S	*	*			trans	-54	92.2	150.8	-71.8	-175.7	164.2	0	0	101.1	L468 S472	L468-E470 HydrophobicContact CB-CG 4.23Å; L468-E470 PolarHBondContact O-N 3.1Å; E470-S472 WeakPolarHBondContact O-CA 3.48Å; E470-S472 PolarHBondContact O-N 2.72Å; E470-S472 PolarHBondContact O-OG 2.98Å
471	E	43.4	Very low	43.3	Very low	133 Å²	133	115.2 Å²	115.2	62%	0.621	60%	0.602	S	S	*	*			trans	-49.8	99.5	157.9	-70.1	-172.8	139.6	0	0	101.7	N469 Y473	N469-E471 PolarHBondContact O-N 2.7Å; E471-Y473 CarbonylContact O-C 3.59Å; E471-Y473 PolarHBondContact O-N 3.22Å
472	S	47.5	Very low	45	Very low	94 Å²	94	107.9 Å²	107.9	66%	0.657	57%	0.57	S	S	*	*	S	Bend	trans	-65.4	-2.5	-161.1	-4.9	0	0	0	0	111.4	E470	E470-S472 WeakPolarHBondContact O-CA 3.48Å; E470-S472 PolarHBondContact O-N 2.72Å; E470-S472 PolarHBondContact O-OG 2.98Å
473	Y	49.3	Very low	46.5	Very low	79 Å²	79	105.7 Å²	105.7	31%	0.31	56%	0.556	S	S	.	*	S	Bend	trans	-141.4	132.3	-179.2	-50.7	-77.3	0	0	0	107.3	E471	E471-Y473 CarbonylContact O-C 3.59Å; E471-Y473 PolarHBondContact O-N 3.22Å
474	S	63.8	Low	47.9	Very low	61 Å²	61	103.9 Å²	103.9	43%	0.427	55%	0.547	S	S	.	.			trans	-61.9	144.5	168.6	65.6	0	0	0	0	110	D476 E477 L478	S474-D476 PolarHBondContact O-N 2.98Å; S474-E477 PolarHBondContact O-N 3.43Å; S474-E477 VanDerWaalsContact O-N 3.09Å; S474-E477 VanDerWaalsContact OG-CB 3.29Å; S474-E477 WeakPolarHBondContact OG-CB 3.37Å; S474-E477 PolarHBondContact OG-N 3.31Å; S474-L478 PolarHBondContact O-N 2.85Å
475	E	63.2	Low	48.9	Very low	102 Å²	102	100.6 Å²	100.6	48%	0.477	52%	0.515	S	S	.	.	H	α-helix	trans	-56.2	-33.8	175.6	-77.2	-146.8	133	0	0	112.1	K333 E477 L478 R479	K333-E475 IonicContact NZ-OE1 2.85Å; K333-E475 PolarHBondContact NZ-OE1 2.95Å; E475-E477 VanDerWaalsContact C-N 3.34Å; E475-E477 PolarHBondContact O-N 2.91Å; E475-L478 PolarHBondContact O-N 3.25Å; E475-R479 WeakPolarHBondContact O-CB 3.02Å; E475-R479 PolarHBondContact O-N 3.45Å
476	D	63.2	Low	50.3	Low	108 Å²	108	100.1 Å²	100.1	58%	0.578	50%	0.498	S	S	*	.	H	α-helix	trans	-66.1	-33.5	178.5	-67.5	-30.7	0	0	0	113.3	S474 R480	S474-D476 PolarHBondContact O-N 2.98Å; D476-R480 WeakPolarHBondContact O-CB 3.49Å; D476-R480 WeakPolarHBondContact O-CG 3.34Å; D476-R480 PolarHBondContact O-N 3.12Å; D476-R480 PolarHBondContact O-NE 2.81Å
477	E	54.1	Low	51.4	Low	108 Å²	108	102.5 Å²	102.5	51%	0.505	49%	0.493	S	S	.	.	H	α-helix	trans	-74.4	-42.6	176.9	-170	173.4	-163.6	0	0	111.3	S474 E475 R479 R480 A481	S474-E477 PolarHBondContact O-N 3.43Å; S474-E477 VanDerWaalsContact O-N 3.09Å; S474-E477 VanDerWaalsContact OG-CB 3.29Å; S474-E477 WeakPolarHBondContact OG-CB 3.37Å; S474-E477 PolarHBondContact OG-N 3.31Å; E475-E477 VanDerWaalsContact C-N 3.34Å; E475-E477 PolarHBondContact O-N 2.91Å; E477-R479 VanDerWaalsContact C-N 3.31Å; E477-R479 PolarHBondContact O-N 3.47Å; E477-R480 PolarHBondContact O-N 2.96Å; E477-A481 WeakPolarHBondContact O-CB 3.32Å; E477-A481 PolarHBondContact O-N 3.08Å
478	L	54.9	Low	52.1	Low	11 Å²	11	98 Å²	98	6%	0.058	48%	0.478	C	S	.	.	H	α-helix	trans	-62.5	-40.5	173.1	-74.7	169.9	0	0	0	111.4	F329 K333 I336 S474 E475 A481 F482	F329-L478 HydrophobicContact CE2-CB 3.88Å; F329-L478 HydrophobicContact CZ-CB 3.85Å; K333-L478 HydrophobicContact CD-CD1 4.36Å; K333-L478 HydrophobicContact CG-CD1 4.19Å; I336-L478 HydrophobicContact CD1-CD2 4.25Å; I336-L478 HydrophobicContact CG2-CD2 4.14Å; S474-L478 PolarHBondContact O-N 2.85Å; E475-L478 PolarHBondContact O-N 3.25Å; L478-A481 PolarHBondContact O-N 3.43Å; L478-F482 WeakPolarHBondContact O-CB 3.45Å; L478-F482 PolarHBondContact O-N 2.98Å
479	R	66.7	Low	52.9	Low	149 Å²	149	94.5 Å²	94.5	56%	0.562	46%	0.456	S	S	*	.	H	α-helix	trans	-66.6	-45.5	179.8	-163.9	172.2	-172.4	164.1	3.9	111.1	F329 E475 E477 A481 F482 E483	F329-R479 HydrophobicContact CE2-CB 4.21Å; F329-R479 HydrophobicContact CZ-CB 4.32Å; E475-R479 WeakPolarHBondContact O-CB 3.02Å; E475-R479 PolarHBondContact O-N 3.45Å; E477-R479 VanDerWaalsContact C-N 3.31Å; E477-R479 PolarHBondContact O-N 3.47Å; R479-A481 VanDerWaalsContact C-N 3.33Å; R479-A481 PolarHBondContact O-N 3.04Å; R479-F482 PolarHBondContact O-N 3.43Å; R479-E483 WeakPolarHBondContact O-CG 3.35Å; R479-E483 PolarHBondContact O-N 2.9Å
480	R	58.8	Low	53.3	Low	158 Å²	158	94.7 Å²	94.7	60%	0.596	46%	0.456	S	S	*	.	H	α-helix	trans	-59.4	-41.1	171.2	-82.1	-175.1	-77.4	174.4	-5.8	112.5	D476 E477 F482 E483 N484	D476-R480 WeakPolarHBondContact O-CB 3.49Å; D476-R480 WeakPolarHBondContact O-CG 3.34Å; D476-R480 PolarHBondContact O-N 3.12Å; D476-R480 PolarHBondContact O-NE 2.81Å; E477-R480 PolarHBondContact O-N 2.96Å; R480-F482 PolarHBondContact O-N 3.35Å; R480-E483 PolarHBondContact O-N 2.66Å; R480-N484 VanDerWaalsContact O-CB 3.27Å; R480-N484 WeakPolarHBondContact O-CB 3.22Å; R480-N484 PolarHBondContact O-N 3.18Å; R480-N484 PolarHBondContact O-ND2 2.62Å
481	A	51.6	Low	53.3	Low	43 Å²	43	92.2 Å²	92.2	36%	0.355	45%	0.447	S	S	.	.	H	α-helix	trans	-64.7	-39	176.8	0	0	0	0	0	112.5	F332 E477 L478 R479 Y485	F332-A481 HydrophobicContact CE1-CB 4.28Å; F332-A481 HydrophobicContact CZ-CB 4.44Å; E477-A481 WeakPolarHBondContact O-CB 3.32Å; E477-A481 PolarHBondContact O-N 3.08Å; L478-A481 PolarHBondContact O-N 3.43Å; R479-A481 VanDerWaalsContact C-N 3.33Å; R479-A481 PolarHBondContact O-N 3.04Å; A481-Y485 VanDerWaalsContact O-CB 3.31Å; A481-Y485 WeakPolarHBondContact O-CB 3.44Å; A481-Y485 PolarHBondContact O-N 2.89Å
482	F	60.7	Low	52.5	Low	30 Å²	30	88 Å²	88	13%	0.132	43%	0.432	C	S	.	.	H	α-helix	trans	-67.3	-45.5	175.2	178.3	-102.6	0	0	0	112	F329 F332 L478 R479 R480 Y485 Q486	F329-F482 HydrophobicContact CB-CD1 4.26Å; F329-F482 HydrophobicContact CB-CE1 4.27Å; F329-F482 HydrophobicContact CB-CG 4.48Å; F329-F482 HydrophobicContact CB-CZ 4.49Å; F329-F482 HydrophobicContact CD2-CB 3.76Å; F329-F482 HydrophobicContact CD2-CD1 4.21Å; F329-F482 HydrophobicContact CD2-CD2 4.49Å; F329-F482 AromaticContact CD2-CG 3.91Å; F329-F482 HydrophobicContact CD2-CG 3.91Å; F329-F482 HydrophobicContact CE2-CB 4.24Å; F332-F482 HydrophobicContact CB-CD2 3.65Å; F332-F482 HydrophobicContact CB-CE2 4.04Å; F332-F482 HydrophobicContact CD1-CB 3.9Å; F332-F482 AromaticContact CD1-CD2 3.97Å; F332-F482 HydrophobicContact CD1-CD2 3.97Å; F332-F482 HydrophobicContact CD1-CG 4.4Å; F332-F482 HydrophobicContact CD2-CD2 4.08Å; F332-F482 HydrophobicContact CE1-CB 3.95Å; F332-F482 HydrophobicContact CG-CB 4.46Å; F332-F482 AromaticContact CG-CD2 3.67Å; F332-F482 HydrophobicContact CG-CD2 3.67Å; F332-F482 HydrophobicContact CG-CE2 4.47Å; L478-F482 WeakPolarHBondContact O-CB 3.45Å; L478-F482 PolarHBondContact O-N 2.98Å; R479-F482 PolarHBondContact O-N 3.43Å; R480-F482 PolarHBondContact O-N 3.35Å; F482-Y485 WeakPolarHBondContact O-CB 3.01Å; F482-Y485 PolarHBondContact O-N 3.27Å; F482-Y485 VanDerWaalsContact O-N 3.13Å; F482-Q486 HydrophobicContact CD1-CG 4.27Å; F482-Q486 HydrophobicContact CE1-CG 3.9Å; F482-Q486 HydrophobicContact CE2-CG 4.22Å; F482-Q486 VanDerWaalsContact CE2-NE2 3.28Å; F482-Q486 HydrophobicContact CZ-CG 3.89Å; F482-Q486 WeakPolarHBondContact O-CG 3.49Å; F482-Q486 PolarHBondContact O-N 2.82Å
483	E	58.6	Low	51.5	Low	105 Å²	105	88.9 Å²	88.9	49%	0.491	44%	0.437	S	S	.	.	H	α-helix	trans	-60.4	-47.8	175.9	-73.8	172.5	-174.7	0	0	111	R479 R480 Y485 Q486 E487	R479-E483 WeakPolarHBondContact O-CG 3.35Å; R479-E483 PolarHBondContact O-N 2.9Å; R480-E483 PolarHBondContact O-N 2.66Å; E483-Y485 VanDerWaalsContact C-N 3.26Å; E483-Y485 PolarHBondContact O-N 2.77Å; E483-Q486 PolarHBondContact O-N 3.11Å; E483-Q486 VanDerWaalsContact O-N 3.15Å; E483-E487 WeakPolarHBondContact O-CB 3.24Å; E483-E487 PolarHBondContact O-N 2.96Å
484	N	54.6	Low	50.6	Low	101 Å²	101	93.4 Å²	93.4	54%	0.54	46%	0.461	S	S	.	.	H	α-helix	trans	-59.1	-35.8	173.2	-74.2	-11.7	0	0	0	112.4	R480 F488	R480-N484 VanDerWaalsContact O-CB 3.27Å; R480-N484 WeakPolarHBondContact O-CB 3.22Å; R480-N484 PolarHBondContact O-N 3.18Å; R480-N484 PolarHBondContact O-ND2 2.62Å; N484-F488 WeakPolarHBondContact O-CB 3.41Å; N484-F488 PolarHBondContact O-N 3.36Å
485	Y	50.9	Low	49	Very low	57 Å²	57	95 Å²	95	22%	0.224	47%	0.47	C	S	.	.	H	α-helix	trans	-71.9	-37.3	176.7	178.9	-106.5	0	0	0	112.5	F332 A481 F482 E483 F488 K489	F332-Y485 HydrophobicContact CE2-CD1 4.26Å; F332-Y485 HydrophobicContact CE2-CG 4.27Å; A481-Y485 VanDerWaalsContact O-CB 3.31Å; A481-Y485 WeakPolarHBondContact O-CB 3.44Å; A481-Y485 PolarHBondContact O-N 2.89Å; F482-Y485 WeakPolarHBondContact O-CB 3.01Å; F482-Y485 PolarHBondContact O-N 3.27Å; F482-Y485 VanDerWaalsContact O-N 3.13Å; E483-Y485 VanDerWaalsContact C-N 3.26Å; E483-Y485 PolarHBondContact O-N 2.77Å; Y485-F488 PolarHBondContact O-N 2.99Å; Y485-K489 HydrophobicContact CD1-CD 4.47Å; Y485-K489 HydrophobicContact CE1-CD 3.84Å; Y485-K489 VanDerWaalsContact CE1-CE 3.44Å; Y485-K489 HydrophobicContact CE1-CG 4.21Å; Y485-K489 PolarHBondContact O-N 3.23Å; Y485-K489 VanDerWaalsContact OH-CE 3.27Å; Y485-K489 WeakPolarHBondContact OH-CE 3.01Å
486	Q	52.9	Low	47.4	Very low	49 Å²	49	94.4 Å²	94.4	23%	0.229	47%	0.467	C	S	.	.	H	α-helix	trans	-69.4	-44.4	174.8	-67.4	-63.2	-4.2	0	0	110.9	F482 E483 F488 K489 I490	F482-Q486 HydrophobicContact CD1-CG 4.27Å; F482-Q486 HydrophobicContact CE1-CG 3.9Å; F482-Q486 HydrophobicContact CE2-CG 4.22Å; F482-Q486 VanDerWaalsContact CE2-NE2 3.28Å; F482-Q486 HydrophobicContact CZ-CG 3.89Å; F482-Q486 WeakPolarHBondContact O-CG 3.49Å; F482-Q486 PolarHBondContact O-N 2.82Å; E483-Q486 PolarHBondContact O-N 3.11Å; E483-Q486 VanDerWaalsContact O-N 3.15Å; Q486-F488 VanDerWaalsContact C-N 3.29Å; Q486-F488 PolarHBondContact O-N 2.71Å; Q486-K489 WeakPolarHBondContact O-CB 3.46Å; Q486-K489 PolarHBondContact O-N 3.02Å; Q486-K489 VanDerWaalsContact O-N 3.1Å; Q486-I490 WeakPolarHBondContact O-CD1 3.5Å; Q486-I490 VanDerWaalsContact O-CG1 3.26Å; Q486-I490 WeakPolarHBondContact O-CG1 3.08Å; Q486-I490 PolarHBondContact O-N 3.33Å
487	E	48.8	Very low	45.9	Very low	109 Å²	109	94.7 Å²	94.7	51%	0.509	47%	0.468	S	S	.	.	H	α-helix	trans	-58.6	-44.1	171.8	-172.1	-180	-163.3	0	0	110.4	E483 K489 I490 I491	E483-E487 WeakPolarHBondContact O-CB 3.24Å; E483-E487 PolarHBondContact O-N 2.96Å; E487-K489 PolarHBondContact O-N 3.05Å; E487-I490 PolarHBondContact O-N 3.48Å; E487-I491 HydrophobicContact CG-CD1 3.38Å; E487-I491 HydrophobicContact CG-CG1 4.1Å; E487-I491 WeakPolarHBondContact O-CB 3.24Å; E487-I491 VanDerWaalsContact O-CG1 3.27Å; E487-I491 WeakPolarHBondContact O-CG1 3.32Å; E487-I491 PolarHBondContact O-N 2.91Å
488	F	46.1	Very low	44.7	Very low	115 Å²	115	94.3 Å²	94.3	50%	0.504	46%	0.462	S	S	.	.	H	α-helix	trans	-59.5	-46.3	171.7	-179.8	-94.7	0	0	0	111.5	N484 Y485 Q486 I490 I491 S492	N484-F488 WeakPolarHBondContact O-CB 3.41Å; N484-F488 PolarHBondContact O-N 3.36Å; Y485-F488 PolarHBondContact O-N 2.99Å; Q486-F488 VanDerWaalsContact C-N 3.29Å; Q486-F488 PolarHBondContact O-N 2.71Å; F488-I490 PolarHBondContact O-N 3.46Å; F488-I491 PolarHBondContact O-N 2.89Å; F488-S492 VanDerWaalsContact O-CA 3.27Å; F488-S492 WeakPolarHBondContact O-CA 3.45Å; F488-S492 WeakPolarHBondContact O-CB 3.32Å; F488-S492 PolarHBondContact O-N 2.91Å; F488-S492 PolarHBondContact O-OG 3.44Å
489	K	48.1	Very low	43.3	Very low	74 Å²	74	97.5 Å²	97.5	32%	0.322	48%	0.482	S	S	.	.	H	α-helix	trans	-57.6	-37.1	176.6	-94.8	-177.5	171.8	173.7	0	112.8	Y485 Q486 E487	Y485-K489 HydrophobicContact CD1-CD 4.47Å; Y485-K489 HydrophobicContact CE1-CD 3.84Å; Y485-K489 VanDerWaalsContact CE1-CE 3.44Å; Y485-K489 HydrophobicContact CE1-CG 4.21Å; Y485-K489 PolarHBondContact O-N 3.23Å; Y485-K489 VanDerWaalsContact OH-CE 3.27Å; Y485-K489 WeakPolarHBondContact OH-CE 3.01Å; Q486-K489 WeakPolarHBondContact O-CB 3.46Å; Q486-K489 PolarHBondContact O-N 3.02Å; Q486-K489 VanDerWaalsContact O-N 3.1Å; E487-K489 PolarHBondContact O-N 3.05Å
490	I	44.8	Very low	41.4	Very low	143 Å²	143	92.6 Å²	92.6	73%	0.733	47%	0.467	S	S	*	.	H	α-helix	trans	-77	-44	-178.4	-64.4	163	0	0	0	110.9	Q486 E487 F488	Q486-I490 WeakPolarHBondContact O-CD1 3.5Å; Q486-I490 VanDerWaalsContact O-CG1 3.26Å; Q486-I490 WeakPolarHBondContact O-CG1 3.08Å; Q486-I490 PolarHBondContact O-N 3.33Å; E487-I490 PolarHBondContact O-N 3.48Å; F488-I490 PolarHBondContact O-N 3.46Å
491	I	36.7	Very low	39.8	Very low	108 Å²	108	89.4 Å²	89.4	55%	0.554	47%	0.468	S	S	*	.	H	α-helix	trans	-90.6	-25.1	-173.5	-56.5	-179.9	0	0	0	112	E487 F488 C493	E487-I491 HydrophobicContact CG-CD1 3.38Å; E487-I491 HydrophobicContact CG-CG1 4.1Å; E487-I491 WeakPolarHBondContact O-CB 3.24Å; E487-I491 VanDerWaalsContact O-CG1 3.27Å; E487-I491 WeakPolarHBondContact O-CG1 3.32Å; E487-I491 PolarHBondContact O-N 2.91Å; F488-I491 PolarHBondContact O-N 2.89Å; I491-C493 PolarHBondContact O-N 2.92Å
492	S	28	Very low	38.8	Very low	43 Å²	43	88.8 Å²	88.8	30%	0.301	46%	0.46	S	S	.	.			trans	-64.6	104.1	-178.9	69.2	0	0	0	0	108.6	F488 Q494	F488-S492 VanDerWaalsContact O-CA 3.27Å; F488-S492 WeakPolarHBondContact O-CA 3.45Å; F488-S492 WeakPolarHBondContact O-CB 3.32Å; F488-S492 PolarHBondContact O-N 2.91Å; F488-S492 PolarHBondContact O-OG 3.44Å; S492-Q494 PolarHBondContact O-N 2.81Å
493	C	26.5	Very low	37.2	Very low	114 Å²	114	91.9 Å²	91.9	77%	0.77	48%	0.475	S	S	*	.			trans	-49.7	133.7	156.1	-65.3	0	0	0	0	107.5	I491 P495	I491-C493 PolarHBondContact O-N 2.92Å; C493-P495 VanDerWaalsContact O-N 3.15Å
494	Q	29.7	Very low	35.7	Very low	174 Å²	174	90.7 Å²	90.7	81%	0.813	48%	0.483	S	S	*	.			trans	-48.4	127.6	169.3	-71.8	-174.5	-5.9	0	0	107.6	S492 Q496	S492-Q494 PolarHBondContact O-N 2.81Å; Q494-Q496 PolarHBondContact O-N 3.4Å
495	P	29.8	Very low	34.6	Very low	94 Å²	94	88.3 Å²	88.3	61%	0.61	47%	0.47	S	S	*	.			trans	-60.4	102.6	-172.5	22.8	-32.3	0	0	0	108.6	C493 N497	C493-P495 VanDerWaalsContact O-N 3.15Å; P495-N497 PolarHBondContact O-N 3.44Å
496	Q	30	Very low	33.9	Very low	90 Å²	90	88.2 Å²	88.2	42%	0.421	47%	0.473	S	S	.	.			trans	-61.7	132.8	160	-74.7	-177.8	-7.9	0	0	105.9	Q494 R498 Y597	Q494-Q496 PolarHBondContact O-N 3.4Å; Q496-R498 HydrophobicContact CB-CG 4.27Å; Q496-R498 PolarHBondContact O-N 2.94Å; Q496-Y597 VanDerWaalsContact NE2-CB 3.32Å
497	N	31	Very low	32.9	Very low	114 Å²	114	91.7 Å²	91.7	61%	0.61	48%	0.484	S	S	*	.			trans	-60.2	75.1	176.9	-71.9	-41.5	0	0	0	110.4	P495	P495-N497 PolarHBondContact O-N 3.44Å
498	R	28.6	Very low	32.2	Very low	100 Å²	100	89.7 Å²	89.7	38%	0.377	48%	0.476	S	S	.	.			trans	-106	119.1	176.1	-66.8	-165.8	-172.8	178.1	8.4	108.9	Q496 S599	Q496-R498 HydrophobicContact CB-CG 4.27Å; Q496-R498 PolarHBondContact O-N 2.94Å; R498-S599 VanDerWaalsContact CZ-OG 3.24Å; R498-S599 PolarHBondContact NH1-OG 3.4Å; R498-S599 PolarHBondContact NH2-OG 3.02Å
499	T	26.4	Very low	31.5	Very low	78 Å²	78	90.4 Å²	90.4	48%	0.479	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.3	179.9	15.3	0	0	0	0	110.3	H536 Q538	T499-H536 HydrophobicContact CG2-CB 4.36Å; T499-Q538 HydrophobicContact CG2-CB 3.5Å; T499-Q538 VanDerWaalsContact CG2-CB 3.5Å
500	L	27.3	Very low	30.7	Very low	45 Å²	45	94 Å²	94	24%	0.236	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.1	167.2	-82.3	152.8	0	0	0	109.4	I535 H536 I537 Q538 L641	L500-I535 HydrophobicContact CD1-CG2 4.09Å; L500-H536 PolarHBondContact N-O 3.39Å; L500-I537 WeakPolarHBondContact O-CA 3.42Å; L500-Q538 PolarHBondContact O-N 2.94Å; L500-L641 HydrophobicContact CD1-CD1 4.11Å; L500-L641 HydrophobicContact CD1-CD2 4.22Å
501	C	25	Very low	30	Very low	91 Å²	91	93.4 Å²	93.4	62%	0.615	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.2	176.9	-61.8	0	0	0	0	108.8
502	T	29.8	Very low	29.6	Very low	31 Å²	31	96.1 Å²	96.1	19%	0.19	51%	0.512	C	S	.	.			trans	-142.4	95.4	169.3	57.2	0	0	0	0	109.5	L505	T502-L505 HydrophobicContact CG2-CD1 4.13Å
503	E	26.6	Very low	29.7	Very low	95 Å²	95	102.8 Å²	102.8	44%	0.444	54%	0.538	S	S	.	.	S	Bend	trans	-75.3	-34.9	161.7	-109.2	-168.6	151	0	0	110.7	L505 L506 C540	E503-L505 PolarHBondContact O-N 3.19Å; E503-L506 PolarHBondContact O-N 3.43Å; E503-C540 HydrophobicContact CG-CB 4.36Å
504	A	28.2	Very low	29.8	Very low	80 Å²	80	105.7 Å²	105.7	66%	0.661	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-56.1	-28.9	-178.1	0	0	0	0	0	114.4	L506	A504-L506 VanDerWaalsContact C-N 3.34Å
505	L	32.3	Very low	29.8	Very low	50 Å²	50	105.6 Å²	105.6	26%	0.262	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-79	-14.7	177.6	-95	158.3	0	0	0	114.5	T502 E503 I639	T502-L505 HydrophobicContact CG2-CD1 4.13Å; E503-L505 PolarHBondContact O-N 3.19Å; L505-I639 HydrophobicContact CD1-CB 4.15Å; L505-I639 HydrophobicContact CD1-CG2 3.48Å; L505-I639 VanDerWaalsContact CD1-CG2 3.48Å; L505-I639 HydrophobicContact CD2-CG2 3.26Å; L505-I639 HydrophobicContact CG-CG2 3.98Å
506	L	35.1	Very low	29.7	Very low	56 Å²	56	109 Å²	109	29%	0.293	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-104.3	6	-178.9	-65.6	173.9	0	0	0	113.1	E503 A504 L508 R539	E503-L506 PolarHBondContact O-N 3.43Å; A504-L506 VanDerWaalsContact C-N 3.34Å; L506-L508 PolarHBondContact O-N 3.29Å; L506-R539 HydrophobicContact CD1-CG 4.15Å
507	R	32.6	Very low	29.5	Very low	121 Å²	121	114.4 Å²	114.4	46%	0.457	57%	0.572	S	S	.	*			trans	-72.3	64.2	156.5	-77.7	-167.2	175.6	152.7	12.9	109.7	N509 L719	R507-N509 PolarHBondContact O-N 2.93Å; R507-L719 VanDerWaalsContact NH2-N 3.19Å
508	L	33.9	Very low	29.4	Very low	67 Å²	67	116.8 Å²	116.8	35%	0.351	58%	0.58	S	S	.	*			trans	-50.4	106.5	154.7	-71.1	157.9	0	0	0	106.2	L506 H510 T527 V623	L506-L508 PolarHBondContact O-N 3.29Å; L508-H510 PolarHBondContact O-N 2.98Å; L508-T527 VanDerWaalsContact CD1-OG1 3.31Å; L508-T527 WeakPolarHBondContact CD1-OG1 3.4Å; L508-T527 HydrophobicContact CD2-CG2 3.94Å; L508-T527 WeakPolarHBondContact CD2-OG1 3.38Å; L508-V623 HydrophobicContact CD2-CG1 4.43Å
509	N	30.5	Very low	29.6	Very low	130 Å²	130	118.2 Å²	118.2	70%	0.695	60%	0.602	S	S	*	*			trans	-37.5	105.4	-178.4	-85	-42.2	0	0	0	112	R507 D511	R507-N509 PolarHBondContact O-N 2.93Å; N509-D511 VanDerWaalsContact C-N 3.31Å
510	H	31.1	Very low	29.8	Very low	151 Å²	151	120.7 Å²	120.7	70%	0.699	61%	0.612	S	S	*	*	S	Bend	trans	-86.6	-2.9	160.9	-100	-8.9	0	0	0	112.7	L508	L508-H510 PolarHBondContact O-N 2.98Å
511	D	30.3	Very low	30	Very low	130 Å²	130	125.9 Å²	125.9	70%	0.695	64%	0.635	S	S	*	*	S	Bend	trans	-112.2	12.2	-164.4	-67.6	-21.4	0	0	0	116.4	N509	N509-D511 VanDerWaalsContact C-N 3.31Å
512	H	29.5	Very low	30.4	Very low	165 Å²	165	128.8 Å²	128.8	76%	0.764	64%	0.644	S	S	*	*	S	Bend	trans	-110.1	13.7	177.5	-86.4	-26.4	0	0	0	117.6
513	Q	30.3	Very low	30.5	Very low	182 Å²	182	131.9 Å²	131.9	85%	0.85	66%	0.657	S	S	*	*	S	Bend	trans	-135.4	33.8	169.7	-71.6	-170.6	-10.6	0	0	115.1	Q515	Q513-Q515 VanDerWaalsContact C-N 3.34Å
514	Q	28.3	Very low	30.9	Very low	175 Å²	175	133.4 Å²	133.4	82%	0.818	66%	0.664	S	S	*	*			trans	-90.5	12.3	165.1	-77.9	-167.6	16.1	0	0	114.5
515	Q	28.3	Very low	31.1	Very low	173 Å²	173	133.7 Å²	133.7	81%	0.808	65%	0.651	S	S	*	*	S	Bend	trans	-110.5	104.6	172.9	-72.7	-176.8	2.6	0	0	110.1	Q513	Q513-Q515 VanDerWaalsContact C-N 3.34Å
516	H	27.8	Very low	31.2	Very low	166 Å²	166	135.9 Å²	135.9	77%	0.769	66%	0.66	S	S	*	*	S	Bend	trans	74.8	68.6	161.4	-52.8	-71.2	0	0	0	118
517	Q	26.5	Very low	31.1	Very low	202 Å²	202	135.2 Å²	135.2	94%	0.944	66%	0.658	S	S	*	*			trans	-164.1	143.5	134.2	-108.1	136.4	20.2	0	0	112.4
518	E	29.9	Very low	31.2	Very low	164 Å²	164	131.3 Å²	131.3	77%	0.766	65%	0.651	S	S	*	*			trans	-47.9	154	-177.2	-79	177.7	134.3	0	0	114.8	N520	E518-N520 PolarHBondContact O-N 3.29Å
519	P	32.6	Very low	31.4	Very low	131 Å²	131	130.2 Å²	130.2	85%	0.851	65%	0.646	S	S	*	*			trans	-74.9	85.7	-169	32.8	-34.9	0	0	0	110.6
520	N	29.7	Very low	31.8	Very low	129 Å²	129	128.5 Å²	128.5	69%	0.69	64%	0.636	S	S	*	*			trans	-117.7	105.2	169.9	-78.8	-43.2	0	0	0	109.1	E518	E518-N520 PolarHBondContact O-N 3.29Å
521	H	32.4	Very low	32.3	Very low	155 Å²	155	124.2 Å²	124.2	72%	0.718	62%	0.617	S	S	*	*			trans	57.3	93.2	167.3	-61.5	-65.5	0	0	0	115.9	H523	H521-H523 PolarHBondContact O-N 3.07Å
522	D	32.2	Very low	32.5	Very low	151 Å²	151	120.6 Å²	120.6	81%	0.807	60%	0.601	S	S	*	*			trans	-54.8	85	160.8	-72.5	-44.5	0	0	0	110.6	H524	D522-H524 PolarHBondContact O-N 2.91Å
523	H	33	Very low	32.7	Very low	97 Å²	97	118.8 Å²	118.8	45%	0.449	59%	0.587	S	S	.	*			trans	-82.8	93.9	163.7	-76	-20.5	0	0	0	106.9	H521 H525	H521-H523 PolarHBondContact O-N 3.07Å; H523-H525 PolarHBondContact O-CD2 3.38Å; H523-H525 VanDerWaalsContact O-CD2 3.25Å; H523-H525 PolarHBondContact O-N 3.33Å
524	H	34	Very low	32.8	Very low	127 Å²	127	112.7 Å²	112.7	59%	0.588	57%	0.573	S	S	*	*			trans	-53.7	101.6	168.7	-68.7	-64.3	0	0	0	109.1	D522 H526	D522-H524 PolarHBondContact O-N 2.91Å; H524-H526 PolarHBondContact O-N 3.36Å
525	H	33.1	Very low	33.3	Very low	86 Å²	86	105.7 Å²	105.7	40%	0.398	54%	0.541	S	S	.	.			trans	-71.1	109.6	177	-66.4	-71.4	0	0	0	108.4	H523 T527 Q625	H523-H525 PolarHBondContact O-CD2 3.38Å; H523-H525 VanDerWaalsContact O-CD2 3.25Å; H523-H525 PolarHBondContact O-N 3.33Å; H525-T527 PolarHBondContact O-N 2.93Å; H525-Q625 HydrophobicContact CB-CG 4.27Å; H525-Q625 PolarHBondContact ND1-NE2 2.83Å
526	H	34.6	Very low	33.5	Very low	95 Å²	95	101.9 Å²	101.9	44%	0.44	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	102	175.3	-67.7	-53.3	0	0	0	109.1	H524 I626	H524-H526 PolarHBondContact O-N 3.36Å; H526-I626 HydrophobicContact CB-CB 4.46Å; H526-I626 PolarHBondContact N-O 3.47Å; H526-I626 WeakPolarHBondContact O-CA 3.12Å; H526-I626 VanDerWaalsContact O-CB 3.23Å; H526-I626 WeakPolarHBondContact O-CB 3.45Å; H526-I626 PolarHBondContact O-N 2.89Å
527	T	32	Very low	33.8	Very low	42 Å²	42	95.9 Å²	95.9	26%	0.258	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.9	172.7	4.2	0	0	0	0	110	L508 H525 V623 M624 Q625	L508-T527 VanDerWaalsContact CD1-OG1 3.31Å; L508-T527 WeakPolarHBondContact CD1-OG1 3.4Å; L508-T527 HydrophobicContact CD2-CG2 3.94Å; L508-T527 WeakPolarHBondContact CD2-OG1 3.38Å; H525-T527 PolarHBondContact O-N 2.93Å; T527-V623 HydrophobicContact CG2-CG1 3.58Å; T527-M624 CarbonylContact C-O 3.48Å; T527-M624 VanDerWaalsContact CA-O 3.32Å; T527-M624 WeakPolarHBondContact CA-O 3.45Å; T527-Q625 HydrophobicContact CG2-CB 3.87Å; T527-Q625 HydrophobicContact CG2-CG 4.05Å
528	A	34.2	Very low	33.9	Very low	39 Å²	39	91.4 Å²	91.4	32%	0.322	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.5	175.2	0	0	0	0	0	109.7	M624 I626	A528-M624 PolarHBondContact N-O 2.78Å; A528-M624 PolarHBondContact O-N 3.09Å; A528-I626 HydrophobicContact CB-CD1 4.09Å
529	L	38.3	Very low	33.6	Very low	44 Å²	44	92 Å²	92	23%	0.23	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.1	175.9	-165.5	78	0	0	0	109.7	I531 V621 V623	L529-I531 HydrophobicContact CD2-CG1 4.08Å; L529-I531 HydrophobicContact CG-CG1 4.48Å; L529-V621 HydrophobicContact CD1-CG1 3.37Å; L529-V621 HydrophobicContact CD2-CG1 4.02Å; L529-V621 HydrophobicContact CG-CG1 3.45Å; L529-V621 VanDerWaalsContact CG-CG1 3.45Å; L529-V623 HydrophobicContact CD1-CB 4.45Å; L529-V623 HydrophobicContact CD1-CG2 3.57Å
530	I	40.6	Very low	33.4	Very low	95 Å²	95	88.4 Å²	88.4	49%	0.487	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	100.1	176.6	-60.3	179	0	0	0	109.6	V621 A622 M624	I530-V621 WeakPolarHBondContact O-CG1 3.13Å; I530-A622 PolarHBondContact N-O 3.4Å; I530-M624 HydrophobicContact CD1-CG 4.29Å; I530-M624 HydrophobicContact CD1-SD 3.46Å; I530-M624 WeakPolarHBondContact CD1-SD 3.26Å; I530-M624 HydrophobicContact CG1-SD 4.42Å
531	I	40	Very low	33.3	Very low	61 Å²	61	85.9 Å²	85.9	31%	0.313	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-81.6	131.3	178.5	-57.1	152.1	0	0	0	109.8	L529 I535 I537	L529-I531 HydrophobicContact CD2-CG1 4.08Å; L529-I531 HydrophobicContact CG-CG1 4.48Å; I531-I535 HydrophobicContact CG2-CB 3.67Å; I531-I535 HydrophobicContact CG2-CD1 4.47Å; I531-I535 HydrophobicContact CG2-CG2 3.7Å; I531-I537 HydrophobicContact CD1-CB 3.95Å; I531-I537 HydrophobicContact CD1-CD1 3.43Å; I531-I537 VanDerWaalsContact CD1-CD1 3.43Å; I531-I537 HydrophobicContact CD1-CG1 3.75Å; I531-I537 HydrophobicContact CG1-CD1 3.77Å; I531-I537 HydrophobicContact CG1-CG1 4.45Å; I531-I537 HydrophobicContact CG2-CD1 4.15Å; I531-I537 HydrophobicContact CG2-CG1 4.35Å
532	P	35.9	Very low	32.8	Very low	53 Å²	53	86.1 Å²	86.1	34%	0.344	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-58.7	152.8	175.1	-22	30.2	0	0	0	113.5	I535	P532-I535 HydrophobicContact CB-CD1 4.36Å; P532-I535 HydrophobicContact CG-CD1 4.35Å; P532-I535 PolarHBondContact O-N 3.42Å
533	R	32.8	Very low	32.4	Very low	128 Å²	128	87.5 Å²	87.5	48%	0.483	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	141	172.6	-79.9	-170.2	173.8	-149.3	-7.2	111.4	T313 T316 N317	T313-R533 PolarHBondContact O-NH2 2.97Å; T316-R533 VanDerWaalsContact C-NH2 3.26Å; T316-R533 PolarHBondContact OG1-NE 2.96Å; T316-R533 PolarHBondContact OG1-NH2 2.76Å; N317-R533 VanDerWaalsContact OD1-CZ 3.25Å; N317-R533 PolarHBondContact OD1-NH1 3.27Å; N317-R533 PolarHBondContact OD1-NH2 2.95Å
534	G	33	Very low	32	Very low	54 Å²	54	91.3 Å²	91.3	56%	0.557	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	-9.7	-177.7	0	0	0	0	0	113.7
535	I	38.2	Very low	31.5	Very low	27 Å²	27	93.1 Å²	93.1	14%	0.138	49%	0.486	C	S	.	.			trans	-112.4	113	177.9	-57.3	165.7	0	0	0	108.1	L500 I531 P532 I537 F619 L641	L500-I535 HydrophobicContact CD1-CG2 4.09Å; I531-I535 HydrophobicContact CG2-CB 3.67Å; I531-I535 HydrophobicContact CG2-CD1 4.47Å; I531-I535 HydrophobicContact CG2-CG2 3.7Å; P532-I535 HydrophobicContact CB-CD1 4.36Å; P532-I535 HydrophobicContact CG-CD1 4.35Å; P532-I535 PolarHBondContact O-N 3.42Å; I535-I537 HydrophobicContact CG2-CD1 4.31Å; I535-I537 HydrophobicContact CG2-CG1 3.93Å; I535-F619 HydrophobicContact CD1-CD1 4.06Å; I535-F619 HydrophobicContact CD1-CD2 4.27Å; I535-F619 HydrophobicContact CD1-CE1 4.2Å; I535-F619 HydrophobicContact CD1-CE2 4.4Å; I535-F619 HydrophobicContact CD1-CG 4.08Å; I535-F619 HydrophobicContact CD1-CZ 4.35Å; I535-L641 HydrophobicContact CD1-CD1 3.79Å; I535-L641 HydrophobicContact CG1-CD1 4.18Å; I535-L641 HydrophobicContact CG2-CD1 3.85Å
536	H	32.4	Very low	31	Very low	93 Å²	93	93.5 Å²	93.5	43%	0.431	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.1	171.5	-80.9	-82.5	0	0	0	109.5	T499 L500	T499-H536 HydrophobicContact CG2-CB 4.36Å; L500-H536 PolarHBondContact N-O 3.39Å
537	I	34.9	Very low	30.4	Very low	41 Å²	41	99.4 Å²	99.4	21%	0.21	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.8	172.3	-51.4	-172.2	0	0	0	107.7	L500 I531 I535	L500-I537 WeakPolarHBondContact O-CA 3.42Å; I531-I537 HydrophobicContact CD1-CB 3.95Å; I531-I537 HydrophobicContact CD1-CD1 3.43Å; I531-I537 VanDerWaalsContact CD1-CD1 3.43Å; I531-I537 HydrophobicContact CD1-CG1 3.75Å; I531-I537 HydrophobicContact CG1-CD1 3.77Å; I531-I537 HydrophobicContact CG1-CG1 4.45Å; I531-I537 HydrophobicContact CG2-CD1 4.15Å; I531-I537 HydrophobicContact CG2-CG1 4.35Å; I535-I537 HydrophobicContact CG2-CD1 4.31Å; I535-I537 HydrophobicContact CG2-CG1 3.93Å
538	Q	28.5	Very low	29.8	Very low	107 Å²	107	102.9 Å²	102.9	50%	0.5	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.3	170.7	-179	170.9	2.7	0	0	108.7	T499 L500 C540	T499-Q538 HydrophobicContact CG2-CB 3.5Å; T499-Q538 VanDerWaalsContact CG2-CB 3.5Å; L500-Q538 PolarHBondContact O-N 2.94Å; Q538-C540 PolarHBondContact O-N 3.16Å
539	R	23.9	Very low	29.1	Very low	177 Å²	177	106.5 Å²	106.5	67%	0.668	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-70.8	119.1	174.3	-71.1	-174.7	176.2	-165.6	-3.7	109.2	L506	L506-R539 HydrophobicContact CD1-CG 4.15Å
540	C	28.4	Very low	28.3	Very low	56 Å²	56	111.6 Å²	111.6	38%	0.378	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	140.8	163.7	-58.2	0	0	0	0	108.3	E503 Q538	E503-C540 HydrophobicContact CG-CB 4.36Å; Q538-C540 PolarHBondContact O-N 3.16Å
541	G	26.1	Very low	27.3	Very low	75 Å²	75	116.6 Å²	116.6	77%	0.773	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	108.8	-11.1	178.2	0	0	0	0	0	115.8	Q543	G541-Q543 PolarHBondContact O-N 3.26Å
542	Q	23.1	Very low	26.5	Very low	160 Å²	160	118.9 Å²	118.9	75%	0.748	61%	0.608	S	S	*	*	S	Bend	trans	-73.7	109.8	150.1	-83.2	-176.2	-21.9	0	0	105.9	E544	Q542-E544 PolarHBondContact O-N 2.86Å; Q542-E544 VanDerWaalsContact O-N 3.08Å
543	Q	24.6	Very low	25.8	Very low	180 Å²	180	122.6 Å²	122.6	84%	0.841	63%	0.625	S	S	*	*			trans	-36.9	124.1	162.5	-75.2	176.2	-23.7	0	0	106.4	G541 I545	G541-Q543 PolarHBondContact O-N 3.26Å; Q543-I545 VanDerWaalsContact C-N 3.34Å; Q543-I545 PolarHBondContact O-N 3.47Å
544	E	24.6	Very low	25.3	Very low	178 Å²	178	121.3 Å²	121.3	83%	0.832	64%	0.636	S	S	*	*			trans	-40.6	114.2	161.5	-69.4	-178.2	154.2	0	0	104.9	Q542 S546	Q542-E544 PolarHBondContact O-N 2.86Å; Q542-E544 VanDerWaalsContact O-N 3.08Å; E544-S546 PolarHBondContact O-N 3.28Å
545	I	23.2	Very low	24.9	Very low	165 Å²	165	126.8 Å²	126.8	85%	0.846	65%	0.645	S	S	*	*			trans	-54.9	101.7	159.4	-67.7	164.3	0	0	0	100.4	Q543 R547	Q543-I545 VanDerWaalsContact C-N 3.34Å; Q543-I545 PolarHBondContact O-N 3.47Å; I545-R547 PolarHBondContact O-N 3Å
546	S	21.4	Very low	24.2	Very low	93 Å²	93	130.2 Å²	130.2	65%	0.65	67%	0.671	S	S	*	*			trans	-40.6	122.1	178.3	41	0	0	0	0	104.4	E544 C548	E544-S546 PolarHBondContact O-N 3.28Å; S546-C548 PolarHBondContact O-N 3.27Å
547	R	21.5	Very low	23.9	Very low	219 Å²	219	133.2 Å²	133.2	83%	0.826	69%	0.69	S	S	*	*			trans	-28.5	141.4	170.3	-69.4	176	177.2	177.8	-2.3	108.5	I545 N549	I545-R547 PolarHBondContact O-N 3Å; R547-N549 PolarHBondContact O-N 3.47Å
548	C	20.1	Very low	23.5	Very low	115 Å²	115	140.6 Å²	140.6	78%	0.777	72%	0.717	S	S	*	*			trans	-46.2	76.2	163.5	-63.5	0	0	0	0	110.3	S546 H550	S546-C548 PolarHBondContact O-N 3.27Å; C548-H550 PolarHBondContact O-N 3.5Å; C548-H550 PolarHBondContact O-ND1 3.32Å
549	N	20.4	Very low	23.4	Very low	116 Å²	116	143.7 Å²	143.7	62%	0.62	73%	0.731	S	S	*	*			trans	-63.9	95.9	150	-78.1	-6.8	0	0	0	100.1	R547 Y551	R547-N549 PolarHBondContact O-N 3.47Å; N549-Y551 HydrophobicContact CB-CD2 4.44Å; N549-Y551 HydrophobicContact CB-CE2 4.41Å; N549-Y551 PolarHBondContact O-N 2.98Å
550	H	21	Very low	23.6	Very low	151 Å²	151	144.5 Å²	144.5	70%	0.699	74%	0.743	S	S	*	*			trans	-42	91.3	146.2	-72.1	49.9	0	0	0	105	C548 T552	C548-H550 PolarHBondContact O-N 3.5Å; C548-H550 PolarHBondContact O-ND1 3.32Å; H550-T552 HydrophobicContact CB-CG2 4.37Å; H550-T552 PolarHBondContact O-N 3.43Å
551	Y	19.9	Very low	23.5	Very low	199 Å²	199	149.7 Å²	149.7	78%	0.78	76%	0.761	S	S	*	*			trans	-66.6	72.8	146.5	-77.6	-83.9	0	0	0	103.9	N549 N553	N549-Y551 HydrophobicContact CB-CD2 4.44Å; N549-Y551 HydrophobicContact CB-CE2 4.41Å; N549-Y551 PolarHBondContact O-N 2.98Å; Y551-N553 PolarHBondContact O-N 3.42Å
552	T	21.9	Very low	23.6	Very low	109 Å²	109	155.3 Å²	155.3	67%	0.669	76%	0.761	S	S	*	*			trans	-53.1	104.4	147.1	36.8	0	0	0	0	104	H550 S554	H550-T552 HydrophobicContact CB-CG2 4.37Å; H550-T552 PolarHBondContact O-N 3.43Å; T552-S554 VanDerWaalsContact C-N 3.28Å; T552-S554 PolarHBondContact O-N 2.87Å
553	N	22.4	Very low	23.8	Very low	132 Å²	132	154 Å²	154	71%	0.706	76%	0.759	S	S	*	*			trans	-22.2	85.9	165.5	-85.1	-23	0	0	0	112.4	Y551 F555	Y551-N553 PolarHBondContact O-N 3.42Å; N553-F555 HydrophobicContact CB-CD2 3.97Å; N553-F555 PolarHBondContact O-N 3.02Å; N553-F555 VanDerWaalsContact O-N 3.11Å
554	S	22.7	Very low	23.7	Very low	101 Å²	101	156.8 Å²	156.8	71%	0.706	76%	0.763	S	S	*	*			trans	-83.1	66.5	153	58.7	0	0	0	0	105.7	T552 S556	T552-S554 VanDerWaalsContact C-N 3.28Å; T552-S554 PolarHBondContact O-N 2.87Å; S554-S556 PolarHBondContact O-N 3.22Å
555	F	24.2	Very low	23.8	Very low	169 Å²	169	156.7 Å²	156.7	74%	0.741	76%	0.763	S	S	*	*			trans	-62.2	90.9	145.9	-83	-84.3	0	0	0	104.2	N553 N557	N553-F555 HydrophobicContact CB-CD2 3.97Å; N553-F555 PolarHBondContact O-N 3.02Å; N553-F555 VanDerWaalsContact O-N 3.11Å; F555-N557 PolarHBondContact O-N 3.33Å
556	S	23.1	Very low	23.8	Very low	99 Å²	99	159.4 Å²	159.4	69%	0.692	76%	0.763	S	S	*	*			trans	-65.9	76.2	158.6	54.9	0	0	0	0	106.1	S554 Y558	S554-S556 PolarHBondContact O-N 3.22Å; S556-Y558 VanDerWaalsContact C-N 3.32Å; S556-Y558 PolarHBondContact O-N 3.28Å; S556-Y558 VanDerWaalsContact O-N 3.16Å
557	N	25.9	Very low	24.1	Very low	156 Å²	156	160.7 Å²	160.7	83%	0.834	77%	0.772	S	S	*	*			trans	-69.5	105	157.7	-145.9	20.4	0	0	0	104.1	F555	F555-N557 PolarHBondContact O-N 3.33Å
558	Y	25.8	Very low	24.2	Very low	196 Å²	196	157 Å²	157	77%	0.769	76%	0.764	S	S	*	*			trans	-49.1	142.5	165.4	-101.5	-104.9	0	0	0	109.1	S556	S556-Y558 VanDerWaalsContact C-N 3.32Å; S556-Y558 PolarHBondContact O-N 3.28Å; S556-Y558 VanDerWaalsContact O-N 3.16Å
559	E	26.4	Very low	24.4	Very low	171 Å²	171	160 Å²	160	80%	0.799	76%	0.764	S	S	*	*			trans	78.2	87.7	163.2	-58.8	177.7	-173.1	0	0	116.3
560	E	29.8	Very low	24.6	Very low	194 Å²	194	160.1 Å²	160.1	91%	0.907	77%	0.769	S	S	*	*				-168.6	100.2	125.4	-103.2	167.1	-171.9	0	0	109.6
561	E	25.6	Very low	24.7	Very low	165 Å²	165	158.3 Å²	158.3	77%	0.771	77%	0.77	S	S	*	*			trans	-7.6	125	140.1	-164.4	166.4	-158.1	0	0	115.2
562	Y	27.8	Very low	25	Very low	194 Å²	194	156.1 Å²	156.1	76%	0.761	77%	0.771	S	S	*	*			trans	165.2	114.2	132.8	-94.3	-74.2	0	0	0	112.1
563	D	27.2	Very low	25	Very low	133 Å²	133	156.1 Å²	156.1	71%	0.711	78%	0.776	S	S	*	*			trans	44.1	100.7	144.4	-61.5	-27.3	0	0	0	121.2	E565	D563-E565 PolarHBondContact O-N 3.46Å
564	Y	22.5	Very low	25	Very low	237 Å²	237	154.5 Å²	154.5	93%	0.929	78%	0.775	S	S	*	*			trans	-64	82.2	161.5	-163.6	-96.2	0	0	0	111.3
565	E	27.1	Very low	25	Very low	177 Å²	177	154.5 Å²	154.5	83%	0.827	78%	0.775	S	S	*	*			trans	-115.2	94.8	165	-69.8	-154	158.3	0	0	111.7	D563	D563-E565 PolarHBondContact O-N 3.46Å
566	R	22.9	Very low	24.9	Very low	222 Å²	222	152.2 Å²	152.2	84%	0.838	78%	0.78	S	S	*	*				41.8	92.7	125	-157.3	176.9	-161.8	165.2	3.3	116.6
567	S	27.1	Very low	25	Very low	120 Å²	120	152.9 Å²	152.9	84%	0.839	79%	0.785	S	S	*	*			trans	-135.7	94.8	150.8	-163.1	0	0	0	0	110.3
568	E	24.8	Very low	25	Very low	142 Å²	142	154 Å²	154	66%	0.664	79%	0.791	S	S	*	*			trans	-63.7	131.9	162.7	-97	170.8	-157.1	0	0	110.1
569	F	24.9	Very low	24.9	Very low	178 Å²	178	147.6 Å²	147.6	78%	0.781	78%	0.784	S	S	*	*			trans	60.4	112.5	158.3	-65.8	-82.1	0	0	0	119.8
570	T	24.3	Very low	24.8	Very low	117 Å²	117	148.5 Å²	148.5	72%	0.718	79%	0.788	S	S	*	*			trans	-156.2	103.3	133.8	-1.2	0	0	0	0	110.9	L572	T570-L572 HydrophobicContact CG2-CD1 4.25Å; T570-L572 PolarHBondContact O-N 2.99Å
571	P	23.4	Very low	24.6	Very low	113 Å²	113	145.5 Å²	145.5	73%	0.734	78%	0.783	S	S	*	*			trans	-77.6	96	164.4	29.1	-26.2	0	0	0	107.8	S573	P571-S573 VanDerWaalsContact C-N 3.29Å; P571-S573 PolarHBondContact O-N 3.37Å
572	L	26.1	Very low	24.8	Very low	154 Å²	154	142.3 Å²	142.3	81%	0.806	77%	0.771	S	S	*	*			trans	-70.9	88.2	174.3	-122.9	75.9	0	0	0	109.3	T570	T570-L572 HydrophobicContact CG2-CD1 4.25Å; T570-L572 PolarHBondContact O-N 2.99Å
573	S	21.7	Very low	24.9	Very low	109 Å²	109	142.2 Å²	142.2	76%	0.762	77%	0.77	S	S	*	*			trans	-73.3	118.6	150.3	-67.6	0	0	0	0	107.4	P571	P571-S573 VanDerWaalsContact C-N 3.29Å; P571-S573 PolarHBondContact O-N 3.37Å
574	S	22.6	Very low	25.2	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	76%	0.763	S	S	*	*			trans	166.3	148.1	139.7	57	0	0	0	0	112.6
575	S	21.8	Very low	25.6	Very low	100 Å²	100	134 Å²	134	70%	0.699	74%	0.742	S	S	*	*			trans	90.8	87.8	145.6	-43.8	0	0	0	0	118.6
576	S	21.6	Very low	25.8	Very low	122 Å²	122	131.6 Å²	131.6	85%	0.853	73%	0.731	S	S	*	*				36.1	103	114.8	172.5	0	0	0	0	116.9
577	S	26.4	Very low	26.1	Very low	113 Å²	113	129.3 Å²	129.3	79%	0.79	72%	0.724	S	S	*	*			trans	-156.3	131.3	143.7	49.1	0	0	0	0	111.2	G579	S577-G579 PolarHBondContact O-N 3.46Å
578	N	24.4	Very low	26.3	Very low	180 Å²	180	127.9 Å²	127.9	96%	0.963	71%	0.707	S	S	*	*			trans	-54	98.4	172.5	-68.9	-41.7	0	0	0	110.2
579	G	23.9	Very low	26.5	Very low	61 Å²	61	126.4 Å²	126.4	63%	0.629	70%	0.703	S	S	*	*			trans	-116.1	125	175.1	0	0	0	0	0	109.2	S577 V581	S577-G579 PolarHBondContact O-N 3.46Å; G579-V581 PolarHBondContact O-N 3.49Å
580	H	25.4	Very low	26.8	Very low	189 Å²	189	123 Å²	123	88%	0.875	69%	0.692	S	S	*	*			trans	-28.1	125.2	170.6	-89.5	-103	0	0	0	113.5	N582	H580-N582 PolarHBondContact O-N 3.31Å
581	V	24.8	Very low	27	Very low	132 Å²	132	122 Å²	122	80%	0.8	68%	0.682	S	S	*	*			trans	-63.8	86.9	172	-172.4	0	0	0	0	107.7	G579	G579-V581 PolarHBondContact O-N 3.49Å
582	N	30.1	Very low	27.2	Very low	98 Å²	98	121.4 Å²	121.4	52%	0.524	67%	0.672	S	S	.	*			trans	-73.6	139.6	174.6	-172.2	21	0	0	0	107.4	H580 D584 D585	H580-N582 PolarHBondContact O-N 3.31Å; N582-D584 PolarHBondContact ND2-OD2 2.74Å; N582-D584 PolarHBondContact O-N 3.01Å; N582-D585 PolarHBondContact O-N 2.9Å
583	Y	29.8	Very low	27.4	Very low	191 Å²	191	119.7 Å²	119.7	75%	0.749	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-10.1	-168.9	-144.1	-94.7	0	0	0	113.9
584	D	34.5	Very low	27.7	Very low	104 Å²	104	122.5 Å²	122.5	56%	0.556	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-26.6	-179.2	-64.9	-40.5	0	0	0	113.7	N582 Q586 Y587 L588	N582-D584 PolarHBondContact ND2-OD2 2.74Å; N582-D584 PolarHBondContact O-N 3.01Å; D584-Q586 VanDerWaalsContact C-N 3.35Å; D584-Q586 PolarHBondContact O-N 2.86Å; D584-Y587 PolarHBondContact O-N 2.78Å; D584-Y587 VanDerWaalsContact O-N 3.12Å; D584-L588 PolarHBondContact O-N 3.16Å
585	D	29.8	Very low	28.1	Very low	93 Å²	93	124 Å²	124	50%	0.497	66%	0.658	S	S	.	*	H	α-helix	trans	-71.4	-28.7	-178.1	-73.6	-23.6	0	0	0	112.9	N582 Y587 L588 D589	N582-D585 PolarHBondContact O-N 2.9Å; D585-Y587 PolarHBondContact O-N 2.83Å; D585-L588 PolarHBondContact O-N 3.05Å; D585-L588 VanDerWaalsContact O-N 3.12Å; D585-D589 PolarHBondContact O-N 2.96Å
586	Q	30.8	Very low	28.6	Very low	128 Å²	128	125.5 Å²	125.5	60%	0.598	65%	0.654	S	S	*	*	H	α-helix	trans	-64.9	-23.4	173.1	-80.9	-173.8	8.8	0	0	112.6	D584 I590	D584-Q586 VanDerWaalsContact C-N 3.35Å; D584-Q586 PolarHBondContact O-N 2.86Å; Q586-I590 WeakPolarHBondContact O-CD1 3.19Å; Q586-I590 WeakPolarHBondContact O-CG1 3.37Å
587	Y	30.4	Very low	29.2	Very low	173 Å²	173	127.1 Å²	127.1	68%	0.678	64%	0.643	S	S	*	*	H	α-helix	trans	-81	-30.6	174.5	-115.5	-87.3	0	0	0	112.3	D584 D585 I590 L591	D584-Y587 PolarHBondContact O-N 2.78Å; D584-Y587 VanDerWaalsContact O-N 3.12Å; D585-Y587 PolarHBondContact O-N 2.83Å; Y587-I590 PolarHBondContact O-N 3.49Å; Y587-L591 PolarHBondContact O-N 2.86Å
588	L	30.6	Very low	29.6	Very low	91 Å²	91	125.1 Å²	125.1	48%	0.476	63%	0.626	S	S	.	*	H	α-helix	trans	-70.6	-37.6	175.3	-88.4	151.4	0	0	0	112.1	D584 D585 I590 L591 N592	D584-L588 PolarHBondContact O-N 3.16Å; D585-L588 PolarHBondContact O-N 3.05Å; D585-L588 VanDerWaalsContact O-N 3.12Å; L588-I590 VanDerWaalsContact C-N 3.3Å; L588-I590 PolarHBondContact O-N 2.95Å; L588-L591 PolarHBondContact O-N 2.87Å; L588-N592 PolarHBondContact O-N 3.31Å
589	D	29	Very low	30.7	Very low	111 Å²	111	119.1 Å²	119.1	59%	0.594	60%	0.598	S	S	*	*	H	α-helix	trans	-63	-36.9	174.9	-81.5	-15.6	0	0	0	112.2	D585 L591 N592 D593	D585-D589 PolarHBondContact O-N 2.96Å; D589-L591 PolarHBondContact O-N 3.31Å; D589-N592 PolarHBondContact O-N 3.29Å; D589-D593 PolarHBondContact O-N 3.4Å
590	I	30.5	Very low	31.8	Very low	106 Å²	106	117.4 Å²	117.4	54%	0.544	58%	0.576	S	S	.	*	H	α-helix	trans	-65.9	-27.9	175.9	-62.9	167.2	0	0	0	111.5	Q586 Y587 L588	Q586-I590 WeakPolarHBondContact O-CD1 3.19Å; Q586-I590 WeakPolarHBondContact O-CG1 3.37Å; Y587-I590 PolarHBondContact O-N 3.49Å; L588-I590 VanDerWaalsContact C-N 3.3Å; L588-I590 PolarHBondContact O-N 2.95Å
591	L	29.3	Very low	33.3	Very low	96 Å²	96	115.3 Å²	115.3	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-82	-35.9	174.8	-71.2	172.6	0	0	0	112.3	Y587 L588 D589 R594	Y587-L591 PolarHBondContact O-N 2.86Å; L588-L591 PolarHBondContact O-N 2.87Å; D589-L591 PolarHBondContact O-N 3.31Å; L591-R594 WeakPolarHBondContact O-CB 3.4Å; L591-R594 PolarHBondContact O-N 3.48Å
592	N	28.3	Very low	34.9	Very low	100 Å²	100	110.3 Å²	110.3	54%	0.535	54%	0.542	S	S	.	.	H	α-helix	trans	-70.4	-32.6	178	-88.6	-12.1	0	0	0	113	L588 D589 R594 N595	L588-N592 PolarHBondContact O-N 3.31Å; D589-N592 PolarHBondContact O-N 3.29Å; N592-R594 PolarHBondContact O-N 3.11Å; N592-N595 PolarHBondContact O-N 3.04Å; N592-N595 VanDerWaalsContact O-N 3.17Å
593	D	28.6	Very low	36.5	Very low	118 Å²	118	115 Å²	115	63%	0.631	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-18.6	175.5	-110.7	-3.3	0	0	0	113.1	D589 N595	D589-D593 PolarHBondContact O-N 3.4Å; D593-N595 VanDerWaalsContact C-N 3.3Å; D593-N595 PolarHBondContact O-N 3.45Å
594	R	29.7	Very low	38.1	Very low	169 Å²	169	109 Å²	109	64%	0.638	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.6	175.7	-81	-175.4	165.8	179.1	-3.7	113.7	L591 N592	L591-R594 WeakPolarHBondContact O-CB 3.4Å; L591-R594 PolarHBondContact O-N 3.48Å; N592-R594 PolarHBondContact O-N 3.11Å
595	N	29.9	Very low	39.5	Very low	128 Å²	128	112 Å²	112	68%	0.684	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-12.5	-173.5	-75.5	-10.9	0	0	0	114.6	N592 D593	N592-N595 PolarHBondContact O-N 3.04Å; N592-N595 VanDerWaalsContact O-N 3.17Å; D593-N595 VanDerWaalsContact C-N 3.3Å; D593-N595 PolarHBondContact O-N 3.45Å
596	Q	32.7	Very low	41	Very low	132 Å²	132	111.9 Å²	111.9	62%	0.617	56%	0.556	S	S	*	*	S	Bend	trans	-80.8	-20.3	-176.7	-77.7	-173.9	2.6	0	0	114.5
597	Y	35	Very low	42.6	Very low	156 Å²	156	108.8 Å²	108.8	61%	0.612	54%	0.541	S	S	*	.			trans	-141.4	59.4	-178.6	-51.9	-81	0	0	0	112.3	Q496 S599	Q496-Y597 VanDerWaalsContact NE2-CB 3.32Å; Y597-S599 PolarHBondContact O-N 3.03Å
598	T	34.2	Very low	44.1	Very low	72 Å²	72	103.9 Å²	103.9	44%	0.442	52%	0.524	S	S	.	.			trans	-56.9	139.1	153.3	55.5	0	0	0	0	106.8	C600	T598-C600 VanDerWaalsContact CB-O 3.27Å; T598-C600 WeakPolarHBondContact CB-O 3.42Å; T598-C600 PolarHBondContact O-N 3.35Å; T598-C600 PolarHBondContact OG1-O 2.87Å
599	S	47.6	Very low	45.5	Very low	54 Å²	54	101.5 Å²	101.5	38%	0.378	52%	0.515	S	S	.	.	S	Bend	trans	-54.4	-9.6	178.3	6.9	0	0	0	0	114.7	R498 Y597 C647	R498-S599 VanDerWaalsContact CZ-OG 3.24Å; R498-S599 PolarHBondContact NH1-OG 3.4Å; R498-S599 PolarHBondContact NH2-OG 3.02Å; Y597-S599 PolarHBondContact O-N 3.03Å; S599-C647 WeakPolarHBondContact CB-SG 3.28Å; S599-C647 PolarHBondContact OG-SG 2.91Å
600	C	47	Very low	47	Very low	24 Å²	24	98.9 Å²	98.9	16%	0.162	50%	0.501	C	S	.	.			trans	179.6	127.8	-157	40.8	0	0	0	0	105.3	T598 C609 C647	T598-C600 VanDerWaalsContact CB-O 3.27Å; T598-C600 WeakPolarHBondContact CB-O 3.42Å; T598-C600 PolarHBondContact O-N 3.35Å; T598-C600 PolarHBondContact OG1-O 2.87Å; C600-C609 HydrophobicContact CB-CB 3.76Å; C600-C609 WeakPolarHBondContact CB-SG 3.46Å; C600-C609 WeakPolarHBondContact SG-CB 3.47Å; C600-C609 CovalentContact SG-SG 1.95Å; C600-C609 PolarHBondContact SG-SG 3.43Å; C600-C647 HydrophobicContact CB-CB 4.11Å
601	N	57	Low	48.3	Very low	145 Å²	145	96.1 Å²	96.1	78%	0.775	49%	0.49	S	S	*	.			trans	-116.5	121.8	165.5	-150.5	20.9	0	0	0	105.4
602	C	59.1	Low	49.6	Very low	28 Å²	28	96.2 Å²	96.2	19%	0.189	49%	0.494	C	S	.	.			trans	-88.9	135.4	-179.1	-55.4	0	0	0	0	109.2	T604 E607 C649	C602-T604 PolarHBondContact O-N 3.04Å; C602-E607 HydrophobicContact CB-CB 3.66Å; C602-C649 WeakPolarHBondContact CA-SG 3.45Å; C602-C649 HydrophobicContact CB-CB 3.77Å; C602-C649 WeakPolarHBondContact CB-SG 3.37Å; C602-C649 VanDerWaalsContact SG-CA 3.6Å; C602-C649 WeakPolarHBondContact SG-CB 3.4Å; C602-C649 CovalentContact SG-SG 2.04Å; C602-C649 PolarHBondContact SG-SG 3.38Å
603	E	63.8	Low	50.8	Low	195 Å²	195	97.3 Å²	97.3	91%	0.911	49%	0.494	S	S	*	.	S	Bend	trans	-64.6	-30.5	-175.4	-67.4	-176.2	169.5	0	0	111.4
604	T	62.2	Low	52	Low	66 Å²	66	95.4 Å²	95.4	41%	0.405	49%	0.487	S	S	.	.	S	Bend	trans	-111	143.3	-179.4	65.8	0	0	0	0	111.2	C602 E606 E607	C602-T604 PolarHBondContact O-N 3.04Å; T604-E606 PolarHBondContact O-N 3.24Å; T604-E606 VanDerWaalsContact O-N 3.15Å; T604-E607 PolarHBondContact O-N 3.13Å; T604-E607 VanDerWaalsContact OG1-CG 3.29Å; T604-E607 WeakPolarHBondContact OG1-CG 3.5Å; T604-E607 PolarHBondContact OG1-N 3.15Å
605	L	63.7	Low	52.9	Low	167 Å²	167	89.2 Å²	89.2	87%	0.874	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.8	171.8	-68.3	168.1	0	0	0	112.8	R652	L605-R652 PolarHBondContact O-NH2 3.43Å
606	E	60.8	Low	53.6	Low	91 Å²	91	89.5 Å²	89.5	43%	0.425	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-21.2	-178.1	-70.3	-156.8	-152.9	0	0	113.5	T604 R652 S670	T604-E606 PolarHBondContact O-N 3.24Å; T604-E606 VanDerWaalsContact O-N 3.15Å; E606-R652 PolarHBondContact O-N 3.18Å; E606-S670 WeakPolarHBondContact CG-OG 3.25Å; E606-S670 WeakPolarHBondContact OE2-CB 3.46Å; E606-S670 PolarHBondContact OE2-OG 3.12Å
607	E	64.6	Low	54.3	Low	63 Å²	63	88.2 Å²	88.2	29%	0.294	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	144.9	174.4	-76.2	171.3	171.5	0	0	110.9	C602 T604 C649	C602-E607 HydrophobicContact CB-CB 3.66Å; T604-E607 PolarHBondContact O-N 3.13Å; T604-E607 VanDerWaalsContact OG1-CG 3.29Å; T604-E607 WeakPolarHBondContact OG1-CG 3.5Å; T604-E607 PolarHBondContact OG1-N 3.15Å; E607-C649 HydrophobicContact CB-CB 4.16Å; E607-C649 HydrophobicContact CG-CB 4.46Å; E607-C649 WeakPolarHBondContact OE2-CB 3.41Å
608	E	62.4	Low	54.9	Low	69 Å²	69	85.4 Å²	85.4	32%	0.322	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.3	170.2	-176.8	174.9	-165.7	0	0	108.5	L610 Q650 R652 R656	E608-L610 HydrophobicContact CG-CD2 4.21Å; E608-L610 HydrophobicContact CG-CG 4.24Å; E608-L610 PolarHBondContact O-N 3.4Å; E608-Q650 PolarHBondContact N-O 3.08Å; E608-Q650 PolarHBondContact O-N 3.38Å; E608-R652 HydrophobicContact CB-CG 3.84Å; E608-R656 IonicContact OE2-NH2 2.81Å; E608-R656 PolarHBondContact OE2-NH2 2.92Å
609	C	60.9	Low	55.5	Low	42 Å²	42	84.8 Å²	84.8	28%	0.284	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.1	171.8	176.5	0	0	0	0	110.6	C600 C647	C600-C609 HydrophobicContact CB-CB 3.76Å; C600-C609 WeakPolarHBondContact CB-SG 3.46Å; C600-C609 WeakPolarHBondContact SG-CB 3.47Å; C600-C609 CovalentContact SG-SG 1.95Å; C600-C609 PolarHBondContact SG-SG 3.43Å; C609-C647 WeakPolarHBondContact SG-CB 3.49Å
610	L	59.2	Low	55.5	Low	56 Å²	56	85.5 Å²	85.5	29%	0.293	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	153.9	176.6	-66.2	174.2	0	0	0	110.6	E608 V612 C647 G648	E608-L610 HydrophobicContact CG-CD2 4.21Å; E608-L610 HydrophobicContact CG-CG 4.24Å; E608-L610 PolarHBondContact O-N 3.4Å; L610-V612 PolarHBondContact O-N 3.01Å; L610-C647 WeakPolarHBondContact O-CA 3.44Å; L610-G648 PolarHBondContact N-O 3.05Å; L610-G648 PolarHBondContact O-N 3.33Å; L610-G648 VanDerWaalsContact O-O 3.13Å
611	P	57.9	Low	55.3	Low	48 Å²	48	84.4 Å²	84.4	31%	0.312	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	115.1	173.2	30.2	-34.6	0	0	0	110.2	V614 H644 Q646	P611-V614 HydrophobicContact CB-CG1 3.68Å; P611-V614 HydrophobicContact CG-CG1 4Å; P611-H644 HydrophobicContact CB-CB 3.85Å; P611-Q646 CarbonylContact C-O 3.49Å; P611-Q646 WeakPolarHBondContact CA-O 3.39Å
612	V	56.8	Low	54.8	Low	98 Å²	98	79.3 Å²	79.3	59%	0.594	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	-29.1	178.5	-179.3	0	0	0	0	110.9	L610 Q646	L610-V612 PolarHBondContact O-N 3.01Å; V612-Q646 PolarHBondContact N-O 3.01Å
613	K	54.5	Low	53.9	Low	123 Å²	123	78.2 Å²	78.2	54%	0.535	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.5	176.3	-163.6	175.8	-177.5	176.2	0	109.8	L645 Q646	K613-L645 HydrophobicContact CB-CB 4.38Å; K613-L645 HydrophobicContact CD-CD1 4.46Å; K613-L645 HydrophobicContact CG-CB 4.36Å; K613-L645 HydrophobicContact CG-CD1 4.35Å; K613-L645 PolarHBondContact O-N 3.36Å; K613-Q646 HydrophobicContact CB-CB 3.76Å; K613-Q646 PolarHBondContact N-O 3.24Å; K613-Q646 VanDerWaalsContact N-O 3.09Å; K613-Q646 PolarHBondContact O-N 3.01Å
614	V	53.1	Low	52.8	Low	78 Å²	78	72.3 Å²	72.3	47%	0.473	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.7	176.1	-64.2	0	0	0	0	110.3	P611 N643	P611-V614 HydrophobicContact CB-CG1 3.68Å; P611-V614 HydrophobicContact CG-CG1 4Å; V614-N643 CarbonylContact C-O 3.6Å; V614-N643 WeakPolarHBondContact CA-O 3.48Å
615	S	48.9	Very low	51.8	Low	38 Å²	38	72.2 Å²	72.2	27%	0.266	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.9	168	54.6	0	0	0	0	109	T642 N643 L645	S615-T642 CarbonylContact O-C 3.57Å; S615-T642 WeakPolarHBondContact O-CA 3.48Å; S615-N643 PolarHBondContact N-O 3Å; S615-N643 PolarHBondContact O-N 3.2Å; S615-N643 PolarHBondContact OG-O 3.47Å; S615-L645 WeakPolarHBondContact OG-CG 3.39Å
616	L	43.6	Very low	50.7	Low	135 Å²	135	66.8 Å²	66.8	71%	0.707	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.2	173.6	-75.4	160.9	0	0	0	108.9	T642	L616-T642 HydrophobicContact CD2-CG2 3.55Å; L616-T642 HydrophobicContact CG-CG2 4.36Å
617	K	47.9	Very low	49.7	Very low	104 Å²	104	63.8 Å²	63.8	45%	0.452	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.4	173.9	-168.8	166.5	-179	172.2	0	109.4	F619 L641	K617-F619 HydrophobicContact CB-CE2 3.92Å; K617-F619 HydrophobicContact CB-CZ 4.43Å; K617-F619 HydrophobicContact CD-CE1 4.36Å; K617-F619 HydrophobicContact CD-CE2 3.99Å; K617-F619 HydrophobicContact CD-CZ 3.61Å; K617-F619 HydrophobicContact CG-CD2 4.38Å; K617-F619 HydrophobicContact CG-CE2 3.7Å; K617-F619 HydrophobicContact CG-CZ 3.82Å; K617-L641 PolarHBondContact N-O 3.46Å; K617-L641 PolarHBondContact O-N 3.23Å
618	T	48.6	Very low	48.8	Very low	98 Å²	98	64 Å²	64	60%	0.601	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.6	177.4	49.6	0	0	0	0	110.5	I639 A640	T618-I639 CarbonylContact C-O 3.59Å; T618-I639 VanDerWaalsContact CA-O 3.29Å; T618-I639 WeakPolarHBondContact CA-O 3.26Å; T618-A640 HydrophobicContact CG2-CB 4.1Å
619	F	46.1	Very low	48.1	Very low	59 Å²	59	70 Å²	70	26%	0.259	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.9	174	-64	-92.7	0	0	0	109.2	I535 K617 I639 L641	I535-F619 HydrophobicContact CD1-CD1 4.06Å; I535-F619 HydrophobicContact CD1-CD2 4.27Å; I535-F619 HydrophobicContact CD1-CE1 4.2Å; I535-F619 HydrophobicContact CD1-CE2 4.4Å; I535-F619 HydrophobicContact CD1-CG 4.08Å; I535-F619 HydrophobicContact CD1-CZ 4.35Å; K617-F619 HydrophobicContact CB-CE2 3.92Å; K617-F619 HydrophobicContact CB-CZ 4.43Å; K617-F619 HydrophobicContact CD-CE1 4.36Å; K617-F619 HydrophobicContact CD-CE2 3.99Å; K617-F619 HydrophobicContact CD-CZ 3.61Å; K617-F619 HydrophobicContact CG-CD2 4.38Å; K617-F619 HydrophobicContact CG-CE2 3.7Å; K617-F619 HydrophobicContact CG-CZ 3.82Å; F619-I639 HydrophobicContact CB-CG1 4.11Å; F619-I639 PolarHBondContact N-O 2.93Å; F619-I639 VanDerWaalsContact O-CG1 3.24Å; F619-I639 WeakPolarHBondContact O-CG1 3.49Å; F619-I639 PolarHBondContact O-N 2.98Å; F619-L641 HydrophobicContact CD2-CB 4.2Å; F619-L641 HydrophobicContact CD2-CD1 3.61Å; F619-L641 HydrophobicContact CD2-CG 4.01Å; F619-L641 HydrophobicContact CE2-CB 4.14Å; F619-L641 HydrophobicContact CE2-CD1 3.8Å; F619-L641 HydrophobicContact CE2-CG 4.34Å; F619-L641 HydrophobicContact CG-CD1 4.49Å
620	A	47.1	Very low	47	Very low	68 Å²	68	69.5 Å²	69.5	56%	0.562	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.5	167	0	0	0	0	0	109.2	E637 L638	A620-E637 CarbonylContact C-O 3.51Å; A620-L638 HydrophobicContact CB-CD2 4.17Å
621	V	43.6	Very low	46.3	Very low	2 Å²	2	74.2 Å²	74.2	1%	0.012	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.9	179.6	172.3	0	0	0	0	109.3	L529 I530 T636 E637 I639	L529-V621 HydrophobicContact CD1-CG1 3.37Å; L529-V621 HydrophobicContact CD2-CG1 4.02Å; L529-V621 HydrophobicContact CG-CG1 3.45Å; L529-V621 VanDerWaalsContact CG-CG1 3.45Å; I530-V621 WeakPolarHBondContact O-CG1 3.13Å; V621-T636 WeakPolarHBondContact O-CA 3.49Å; V621-E637 PolarHBondContact N-O 3.35Å; V621-E637 PolarHBondContact O-N 3.09Å; V621-I639 HydrophobicContact CB-CD1 4.23Å; V621-I639 HydrophobicContact CB-CG1 4.19Å; V621-I639 HydrophobicContact CG2-CD1 3.24Å; V621-I639 HydrophobicContact CG2-CG1 3.46Å; V621-I639 VanDerWaalsContact CG2-CG1 3.46Å
622	A	45.4	Very low	45.5	Very low	37 Å²	37	78 Å²	78	31%	0.306	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.2	176.6	0	0	0	0	0	110.3	I530	I530-A622 PolarHBondContact N-O 3.4Å
623	V	41.1	Very low	44.7	Very low	6 Å²	6	76.9 Å²	76.9	4%	0.036	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.8	169.9	-174.3	0	0	0	0	107.5	L508 T527 L529 H634 S635 E637	L508-V623 HydrophobicContact CD2-CG1 4.43Å; T527-V623 HydrophobicContact CG2-CG1 3.58Å; L529-V623 HydrophobicContact CD1-CB 4.45Å; L529-V623 HydrophobicContact CD1-CG2 3.57Å; V623-H634 WeakPolarHBondContact O-CA 3.47Å; V623-S635 PolarHBondContact N-O 3.16Å; V623-S635 PolarHBondContact O-N 3.03Å; V623-E637 HydrophobicContact CG2-CB 4.1Å; V623-E637 VanDerWaalsContact CG2-CD 3.48Å; V623-E637 HydrophobicContact CG2-CG 3.7Å
624	M	41.7	Very low	44.2	Very low	71 Å²	71	76.8 Å²	76.8	35%	0.35	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.8	174.1	-69	-178.8	70.4	0	0	109.7	T527 A528 I530	T527-M624 CarbonylContact C-O 3.48Å; T527-M624 VanDerWaalsContact CA-O 3.32Å; T527-M624 WeakPolarHBondContact CA-O 3.45Å; A528-M624 PolarHBondContact N-O 2.78Å; A528-M624 PolarHBondContact O-N 3.09Å; I530-M624 HydrophobicContact CD1-CG 4.29Å; I530-M624 HydrophobicContact CD1-SD 3.46Å; I530-M624 WeakPolarHBondContact CD1-SD 3.26Å; I530-M624 HydrophobicContact CG1-SD 4.42Å
625	Q	41.1	Very low	43.6	Very low	64 Å²	64	75.9 Å²	75.9	30%	0.299	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	111.7	171.6	-165.7	172.6	8.7	0	0	109.1	H525 T527 V627 T633	H525-Q625 HydrophobicContact CB-CG 4.27Å; H525-Q625 PolarHBondContact ND1-NE2 2.83Å; T527-Q625 HydrophobicContact CG2-CB 3.87Å; T527-Q625 HydrophobicContact CG2-CG 4.05Å; Q625-V627 HydrophobicContact CG-CG2 4.3Å; Q625-V627 PolarHBondContact O-N 3.08Å; Q625-T633 WeakPolarHBondContact CB-OG1 3.33Å; Q625-T633 PolarHBondContact N-O 2.69Å; Q625-T633 PolarHBondContact OE1-OG1 3.39Å
626	I	40.5	Very low	43.3	Very low	52 Å²	52	77.7 Å²	77.7	27%	0.267	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	102.4	175.6	-54.4	173.7	0	0	0	106.8	H526 A528 F632	H526-I626 HydrophobicContact CB-CB 4.46Å; H526-I626 PolarHBondContact N-O 3.47Å; H526-I626 WeakPolarHBondContact O-CA 3.12Å; H526-I626 VanDerWaalsContact O-CB 3.23Å; H526-I626 WeakPolarHBondContact O-CB 3.45Å; H526-I626 PolarHBondContact O-N 2.89Å; A528-I626 HydrophobicContact CB-CD1 4.09Å; I626-F632 HydrophobicContact CG2-CE1 4.16Å
627	V	39.8	Very low	43.3	Very low	28 Å²	28	75.3 Å²	75.3	17%	0.17	41%	0.411	C	S	.	.			trans	-94	125.8	170.1	-166.5	0	0	0	0	107.4	Q625 F629 G630	Q625-V627 HydrophobicContact CG-CG2 4.3Å; Q625-V627 PolarHBondContact O-N 3.08Å; V627-F629 PolarHBondContact O-N 2.78Å; V627-G630 PolarHBondContact O-N 2.77Å
628	P	45.4	Very low	43	Very low	69 Å²	69	76.9 Å²	76.9	45%	0.448	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.3	-170.9	-24.4	32.7	0	0	0	115.5
629	F	46.2	Very low	42.8	Very low	194 Å²	194	72.5 Å²	72.5	85%	0.851	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	18.8	-178.8	-61.9	-75.2	0	0	0	113.9	V627	V627-F629 PolarHBondContact O-N 2.78Å
630	G	38.9	Very low	42.7	Very low	32 Å²	32	72.9 Å²	72.9	33%	0.33	41%	0.41	S	S	.	.	S	Bend	trans	-118	169.6	-176.3	0	0	0	0	0	113.4	V627 F632	V627-G630 PolarHBondContact O-N 2.77Å; G630-F632 PolarHBondContact O-N 2.87Å
631	N	43.3	Very low	42.7	Very low	155 Å²	155	70.1 Å²	70.1	83%	0.829	39%	0.386	S	S	*	.			trans	-59.6	131.5	166.1	-70.9	-15.9	0	0	0	109.1	T633	N631-T633 PolarHBondContact O-N 2.76Å; N631-T633 VanDerWaalsContact O-N 3.12Å
632	F	41.9	Very low	42.8	Very low	128 Å²	128	72.9 Å²	72.9	56%	0.561	40%	0.403	S	S	*	.			trans	-64.8	111.1	174.8	-61	-75.6	0	0	0	109.5	I626 G630	I626-F632 HydrophobicContact CG2-CE1 4.16Å; G630-F632 PolarHBondContact O-N 2.87Å
633	T	40.9	Very low	43	Very low	74 Å²	74	75 Å²	75	45%	0.454	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.4	167.1	45.5	0	0	0	0	108.4	Q625 N631	Q625-T633 WeakPolarHBondContact CB-OG1 3.33Å; Q625-T633 PolarHBondContact N-O 2.69Å; Q625-T633 PolarHBondContact OE1-OG1 3.39Å; N631-T633 PolarHBondContact O-N 2.76Å; N631-T633 VanDerWaalsContact O-N 3.12Å
634	H	44.2	Very low	43.6	Very low	121 Å²	121	78.3 Å²	78.3	56%	0.56	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.8	175.2	54.3	-82.4	0	0	0	108.3	F400 V623	F400-H634 AromaticContact CZ-CE1 3.69Å; F400-H634 AromaticContact CZ-NE2 3.55Å; V623-H634 WeakPolarHBondContact O-CA 3.47Å
635	S	40.5	Very low	44.3	Very low	58 Å²	58	79.5 Å²	79.5	41%	0.406	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.6	170.5	58.3	0	0	0	0	109.4	V623	V623-S635 PolarHBondContact N-O 3.16Å; V623-S635 PolarHBondContact O-N 3.03Å
636	T	41.8	Very low	44.9	Very low	76 Å²	76	81.9 Å²	81.9	47%	0.466	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.3	173.6	45.1	0	0	0	0	108.5	V621	V621-T636 WeakPolarHBondContact O-CA 3.49Å
637	E	43.2	Very low	45.8	Very low	86 Å²	86	80.5 Å²	80.5	40%	0.402	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.7	175.3	-72.5	-176.4	-179.3	0	0	109.7	A620 V621 V623	A620-E637 CarbonylContact C-O 3.51Å; V621-E637 PolarHBondContact N-O 3.35Å; V621-E637 PolarHBondContact O-N 3.09Å; V623-E637 HydrophobicContact CG2-CB 4.1Å; V623-E637 VanDerWaalsContact CG2-CD 3.48Å; V623-E637 HydrophobicContact CG2-CG 3.7Å
638	L	42.1	Very low	46.9	Very low	137 Å²	137	80.1 Å²	80.1	72%	0.717	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	123	172.8	-77.5	160.3	0	0	0	109	A620	A620-L638 HydrophobicContact CB-CD2 4.17Å
639	I	43.4	Very low	47.8	Very low	6 Å²	6	79.2 Å²	79.2	3%	0.031	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.2	172.4	46.1	164.1	0	0	0	110.8	L505 T618 F619 V621 L641	L505-I639 HydrophobicContact CD1-CB 4.15Å; L505-I639 HydrophobicContact CD1-CG2 3.48Å; L505-I639 VanDerWaalsContact CD1-CG2 3.48Å; L505-I639 HydrophobicContact CD2-CG2 3.26Å; L505-I639 HydrophobicContact CG-CG2 3.98Å; T618-I639 CarbonylContact C-O 3.59Å; T618-I639 VanDerWaalsContact CA-O 3.29Å; T618-I639 WeakPolarHBondContact CA-O 3.26Å; F619-I639 HydrophobicContact CB-CG1 4.11Å; F619-I639 PolarHBondContact N-O 2.93Å; F619-I639 VanDerWaalsContact O-CG1 3.24Å; F619-I639 WeakPolarHBondContact O-CG1 3.49Å; F619-I639 PolarHBondContact O-N 2.98Å; V621-I639 HydrophobicContact CB-CD1 4.23Å; V621-I639 HydrophobicContact CB-CG1 4.19Å; V621-I639 HydrophobicContact CG2-CD1 3.24Å; V621-I639 HydrophobicContact CG2-CG1 3.46Å; V621-I639 VanDerWaalsContact CG2-CG1 3.46Å; I639-L641 HydrophobicContact CD1-CD1 4.31Å; I639-L641 HydrophobicContact CD1-CD2 4.42Å; I639-L641 HydrophobicContact CD1-CG 4.36Å
640	A	44.4	Very low	48.7	Very low	67 Å²	67	72.1 Å²	72.1	55%	0.554	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.2	169.2	0	0	0	0	0	109.2	T618	T618-A640 HydrophobicContact CG2-CB 4.1Å
641	L	47.7	Very low	50.1	Low	10 Å²	10	72.9 Å²	72.9	5%	0.052	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.5	173.8	-62.4	179	0	0	0	109.4	L500 I535 K617 F619 I639 N643	L500-L641 HydrophobicContact CD1-CD1 4.11Å; L500-L641 HydrophobicContact CD1-CD2 4.22Å; I535-L641 HydrophobicContact CD1-CD1 3.79Å; I535-L641 HydrophobicContact CG1-CD1 4.18Å; I535-L641 HydrophobicContact CG2-CD1 3.85Å; K617-L641 PolarHBondContact N-O 3.46Å; K617-L641 PolarHBondContact O-N 3.23Å; F619-L641 HydrophobicContact CD2-CB 4.2Å; F619-L641 HydrophobicContact CD2-CD1 3.61Å; F619-L641 HydrophobicContact CD2-CG 4.01Å; F619-L641 HydrophobicContact CE2-CB 4.14Å; F619-L641 HydrophobicContact CE2-CD1 3.8Å; F619-L641 HydrophobicContact CE2-CG 4.34Å; F619-L641 HydrophobicContact CG-CD1 4.49Å; I639-L641 HydrophobicContact CD1-CD1 4.31Å; I639-L641 HydrophobicContact CD1-CD2 4.42Å; I639-L641 HydrophobicContact CD1-CG 4.36Å; L641-N643 PolarHBondContact O-N 2.94Å
642	T	45.1	Very low	51.2	Low	60 Å²	60	71 Å²	71	37%	0.368	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.5	170.5	46.2	0	0	0	0	109.7	S615 L616 H644	S615-T642 CarbonylContact O-C 3.57Å; S615-T642 WeakPolarHBondContact O-CA 3.48Å; L616-T642 HydrophobicContact CD2-CG2 3.55Å; L616-T642 HydrophobicContact CG-CG2 4.36Å; T642-H644 PolarHBondContact O-CD2 3.17Å
643	N	50	Low	52.6	Low	82 Å²	82	65.4 Å²	65.4	44%	0.439	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119	170.7	-175.5	24.4	0	0	0	110	V614 S615 L641 L645	V614-N643 CarbonylContact C-O 3.6Å; V614-N643 WeakPolarHBondContact CA-O 3.48Å; S615-N643 PolarHBondContact N-O 3Å; S615-N643 PolarHBondContact O-N 3.2Å; S615-N643 PolarHBondContact OG-O 3.47Å; L641-N643 PolarHBondContact O-N 2.94Å; N643-L645 PolarHBondContact O-N 3.45Å
644	H	54.2	Low	54.1	Low	74 Å²	74	64.1 Å²	64.1	34%	0.343	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	94.2	-179	-60	178.3	0	0	0	109.3	P611 T642	P611-H644 HydrophobicContact CB-CB 3.85Å; T642-H644 PolarHBondContact O-CD2 3.17Å
645	L	55.6	Low	55.2	Low	96 Å²	96	63.9 Å²	63.9	50%	0.503	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-34.3	-177.2	-63.5	177.3	0	0	0	112.5	K613 S615 N643	K613-L645 HydrophobicContact CB-CB 4.38Å; K613-L645 HydrophobicContact CD-CD1 4.46Å; K613-L645 HydrophobicContact CG-CB 4.36Å; K613-L645 HydrophobicContact CG-CD1 4.35Å; K613-L645 PolarHBondContact O-N 3.36Å; S615-L645 WeakPolarHBondContact OG-CG 3.39Å; N643-L645 PolarHBondContact O-N 3.45Å
646	Q	54.5	Low	56.8	Low	114 Å²	114	64.9 Å²	64.9	53%	0.533	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	138.5	178.8	-169.6	176.1	3.3	0	0	109.4	P611 V612 K613	P611-Q646 CarbonylContact C-O 3.49Å; P611-Q646 WeakPolarHBondContact CA-O 3.39Å; V612-Q646 PolarHBondContact N-O 3.01Å; K613-Q646 HydrophobicContact CB-CB 3.76Å; K613-Q646 PolarHBondContact N-O 3.24Å; K613-Q646 VanDerWaalsContact N-O 3.09Å; K613-Q646 PolarHBondContact O-N 3.01Å
647	C	59.3	Low	58.4	Low	23 Å²	23	65.8 Å²	65.8	16%	0.155	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	155.1	171.7	-51	0	0	0	0	109.9	S599 C600 C609 L610	S599-C647 WeakPolarHBondContact CB-SG 3.28Å; S599-C647 PolarHBondContact OG-SG 2.91Å; C600-C647 HydrophobicContact CB-CB 4.11Å; C609-C647 WeakPolarHBondContact SG-CB 3.49Å; L610-C647 WeakPolarHBondContact O-CA 3.44Å
648	G	61.5	Low	60.3	Low	20 Å²	20	62.5 Å²	62.5	21%	0.206	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	162	178.7	0	0	0	0	0	110.3	L610	L610-G648 PolarHBondContact N-O 3.05Å; L610-G648 PolarHBondContact O-N 3.33Å; L610-G648 VanDerWaalsContact O-O 3.13Å
649	C	64.7	Low	62.1	Low	50 Å²	50	56 Å²	56	34%	0.338	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.3	180	-63.8	0	0	0	0	109.1	C602 E607	C602-C649 WeakPolarHBondContact CA-SG 3.45Å; C602-C649 HydrophobicContact CB-CB 3.77Å; C602-C649 WeakPolarHBondContact CB-SG 3.37Å; C602-C649 VanDerWaalsContact SG-CA 3.6Å; C602-C649 WeakPolarHBondContact SG-CB 3.4Å; C602-C649 CovalentContact SG-SG 2.04Å; C602-C649 PolarHBondContact SG-SG 3.38Å; E607-C649 HydrophobicContact CB-CB 4.16Å; E607-C649 HydrophobicContact CG-CB 4.46Å; E607-C649 WeakPolarHBondContact OE2-CB 3.41Å
650	Q	65.7	Low	63.9	Low	46 Å²	46	58.8 Å²	58.8	22%	0.215	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.7	175.3	-175.9	168.9	9.4	0	0	108.1	E608 R652 S654 N655	E608-Q650 PolarHBondContact N-O 3.08Å; E608-Q650 PolarHBondContact O-N 3.38Å; Q650-R652 PolarHBondContact O-N 2.91Å; Q650-S654 VanDerWaalsContact NE2-CB 3.3Å; Q650-S654 PolarHBondContact NE2-O 3.1Å; Q650-S654 PolarHBondContact NE2-OG 3.36Å; Q650-N655 PolarHBondContact NE2-ND2 2.86Å
651	P	67.7	Low	65.7	Low	48 Å²	48	56.8 Å²	56.8	31%	0.312	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	135.8	172.2	-23.2	32.1	0	0	0	109.2	C653 S654	P651-C653 PolarHBondContact O-N 3.05Å; P651-S654 WeakPolarHBondContact O-CB 3.29Å; P651-S654 PolarHBondContact O-N 3.44Å
652	R	66.6	Low	67.5	Low	116 Å²	116	56.9 Å²	56.9	44%	0.438	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-32.4	-175.5	-75.2	177.7	-174.4	-177.7	5.7	113.1	L605 E606 E608 Q650 R656	L605-R652 PolarHBondContact O-NH2 3.43Å; E606-R652 PolarHBondContact O-N 3.18Å; E608-R652 HydrophobicContact CB-CG 3.84Å; Q650-R652 PolarHBondContact O-N 2.91Å; R652-R656 WeakPolarHBondContact O-CD 3.46Å; R652-R656 VanDerWaalsContact O-CG 3.31Å; R652-R656 WeakPolarHBondContact O-CG 3.48Å; R652-R656 PolarHBondContact O-NE 3.36Å
653	C	72.3	Confident	69.3	Low	10 Å²	10	59 Å²	59	7%	0.068	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.9	-176.4	-63.2	0	0	0	0	114.7	P651 R656 F664 F669 S670 C672	P651-C653 PolarHBondContact O-N 3.05Å; C653-R656 PolarHBondContact O-N 3.09Å; C653-F664 HydrophobicContact CB-CZ 4.11Å; C653-F669 WeakPolarHBondContact CB-O 3.32Å; C653-S670 VanDerWaalsContact SG-C 3.53Å; C653-C672 WeakPolarHBondContact CA-SG 3.24Å; C653-C672 HydrophobicContact CB-CB 3.69Å; C653-C672 WeakPolarHBondContact CB-SG 3.37Å; C653-C672 WeakPolarHBondContact SG-CB 3.18Å; C653-C672 PolarHBondContact SG-N 3.37Å; C653-C672 CovalentContact SG-SG 2.03Å; C653-C672 PolarHBondContact SG-SG 3.45Å
654	S	70.8	Confident	70.9	Confident	47 Å²	47	58.9 Å²	58.9	33%	0.329	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	137	-179.4	-176.4	0	0	0	0	110.8	Q650 P651 R656	Q650-S654 VanDerWaalsContact NE2-CB 3.3Å; Q650-S654 PolarHBondContact NE2-O 3.1Å; Q650-S654 PolarHBondContact NE2-OG 3.36Å; P651-S654 WeakPolarHBondContact O-CB 3.29Å; P651-S654 PolarHBondContact O-N 3.44Å; S654-R656 PolarHBondContact O-N 3.46Å
655	N	68.6	Low	72.2	Confident	116 Å²	116	58.4 Å²	58.4	62%	0.62	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	10.5	-175.1	-59.7	-17.7	0	0	0	115.6	Q650 S705	Q650-N655 PolarHBondContact NE2-ND2 2.86Å; N655-S705 PolarHBondContact O-OG 2.97Å
656	R	73.3	Confident	73.3	Confident	78 Å²	78	59 Å²	59	29%	0.294	31%	0.306	S	S	.	.			trans	-80.1	133.8	176	-71.5	-157	-177.1	-176.2	5.7	111.1	E608 R652 C653 S654 F664 S705 I707	E608-R656 IonicContact OE2-NH2 2.81Å; E608-R656 PolarHBondContact OE2-NH2 2.92Å; R652-R656 WeakPolarHBondContact O-CD 3.46Å; R652-R656 VanDerWaalsContact O-CG 3.31Å; R652-R656 WeakPolarHBondContact O-CG 3.48Å; R652-R656 PolarHBondContact O-NE 3.36Å; C653-R656 PolarHBondContact O-N 3.09Å; S654-R656 PolarHBondContact O-N 3.46Å; R656-F664 HydrophobicContact CB-CE2 4.24Å; R656-S705 CarbonylContact C-O 3.39Å; R656-S705 WeakPolarHBondContact CA-O 3.33Å; R656-I707 HydrophobicContact CB-CD1 3.82Å; R656-I707 HydrophobicContact CB-CG1 3.93Å; R656-I707 HydrophobicContact CG-CG1 4.35Å
657	L	76.2	Confident	74.3	Confident	96 Å²	96	59.2 Å²	59.2	50%	0.503	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.7	-178.8	-65.9	171.1	0	0	0	110.3	S705 Y706 I707	L657-S705 PolarHBondContact N-O 2.71Å; L657-Y706 HydrophobicContact CB-CD1 3.99Å; L657-Y706 HydrophobicContact CB-CE1 4.05Å; L657-Y706 CarbonylContact O-C 3.27Å; L657-Y706 VanDerWaalsContact O-CA 3.27Å; L657-Y706 WeakPolarHBondContact O-CA 3.35Å; L657-I707 PolarHBondContact O-N 2.68Å
658	C	81.8	Confident	74.8	Confident	17 Å²	17	61.2 Å²	61.2	12%	0.115	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	143.8	169.8	-70.1	0	0	0	0	111	P660 L662 F664 C674	C658-P660 WeakPolarHBondContact O-CD 3.47Å; C658-L662 HydrophobicContact CB-CB 4.18Å; C658-F664 HydrophobicContact CB-CB 4.42Å; C658-F664 WeakPolarHBondContact SG-CA 3.34Å; C658-F664 VanDerWaalsContact SG-CB 3.54Å; C658-F664 PolarHBondContact SG-N 2.99Å; C658-F664 VanDerWaalsContact SG-N 3.44Å; C658-C674 WeakPolarHBondContact CA-SG 3.37Å; C658-C674 HydrophobicContact CB-CB 3.86Å; C658-C674 WeakPolarHBondContact CB-SG 3.15Å; C658-C674 WeakPolarHBondContact SG-CA 3.28Å; C658-C674 WeakPolarHBondContact SG-CB 3.37Å; C658-C674 CovalentContact SG-SG 2.02Å; C658-C674 PolarHBondContact SG-SG 3.01Å
659	I	81.3	Confident	75.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-69.4	121.6	169.5	-61.5	-172.1	0	0	0	108.9	L662 F693 E697 I698 Y706 L708 P709	I659-L662 WeakPolarHBondContact O-CB 3.32Å; I659-L662 PolarHBondContact O-N 3.42Å; I659-F693 HydrophobicContact CG2-CD1 4.04Å; I659-F693 HydrophobicContact CG2-CE1 4.09Å; I659-E697 WeakPolarHBondContact CG2-O 3.23Å; I659-I698 HydrophobicContact CD1-CD1 4.11Å; I659-I698 HydrophobicContact CD1-CG1 4.06Å; I659-I698 HydrophobicContact CG2-CD1 4.17Å; I659-I698 HydrophobicContact CG2-CG1 3.58Å; I659-Y706 HydrophobicContact CG1-CD1 3.99Å; I659-L708 HydrophobicContact CD1-CD2 4.34Å; I659-P709 HydrophobicContact CB-CG 4.46Å; I659-P709 HydrophobicContact CD1-CG 4.05Å
660	P	79.8	Confident	75.1	Confident	64 Å²	64	66.3 Å²	66.3	42%	0.416	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	143.7	175.4	-21.2	32.7	0	0	0	111.2	C658 E697	C658-P660 WeakPolarHBondContact O-CD 3.47Å; P660-E697 HydrophobicContact CB-CG 4.25Å; P660-E697 WeakPolarHBondContact O-CB 3.39Å; P660-E697 VanDerWaalsContact O-CG 3.29Å; P660-E697 WeakPolarHBondContact O-CG 3.28Å
661	P	82.5	Confident	75.4	Confident	26 Å²	26	68.4 Å²	68.4	17%	0.169	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	cis	-88.8	11	9.2	36.2	-37	0	0	0	115	C683 L686	P661-C683 HydrophobicContact CG-CB 3.75Å; P661-L686 HydrophobicContact CG-CD1 3.95Å
662	L	85.4	Confident	75.7	Confident	11 Å²	11	67.1 Å²	67.1	6%	0.058	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-64.9	141.9	179.7	-61.1	157.6	0	0	0	110.8	C658 I659 C674 C683 L687 P709	C658-L662 HydrophobicContact CB-CB 4.18Å; I659-L662 WeakPolarHBondContact O-CB 3.32Å; I659-L662 PolarHBondContact O-N 3.42Å; L662-C674 HydrophobicContact CB-CB 3.87Å; L662-C674 HydrophobicContact CD1-CB 3.99Å; L662-C674 HydrophobicContact CG-CB 4.38Å; L662-C683 WeakPolarHBondContact CD2-SG 3.07Å; L662-L687 HydrophobicContact CD1-CD2 4.42Å; L662-L687 HydrophobicContact CD2-CD1 4.11Å; L662-L687 HydrophobicContact CD2-CD2 4.18Å; L662-L687 HydrophobicContact CD2-CG 4.41Å; L662-P709 HydrophobicContact CD1-CB 3.84Å; L662-P709 HydrophobicContact CD1-CG 4.18Å
663	K	84.3	Confident	76.4	Confident	105 Å²	105	63 Å²	63	46%	0.457	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.4	173.5	-75.6	-169.6	167.5	169.6	0	110.4	C674 V675 Q677	K663-C674 WeakPolarHBondContact O-CA 3.35Å; K663-V675 PolarHBondContact N-O 2.79Å; K663-V675 PolarHBondContact O-N 3.08Å; K663-Q677 HydrophobicContact CD-CG 3.61Å; K663-Q677 HydrophobicContact CG-CG 4.2Å; K663-Q677 VanDerWaalsContact NZ-NE2 3.18Å
664	F	83.5	Confident	76.9	Confident	79 Å²	79	62.7 Å²	62.7	35%	0.346	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.1	171.7	-172.8	-98.1	0	0	0	109.8	C653 R656 C658 M666 C672 I707	C653-F664 HydrophobicContact CB-CZ 4.11Å; R656-F664 HydrophobicContact CB-CE2 4.24Å; C658-F664 HydrophobicContact CB-CB 4.42Å; C658-F664 WeakPolarHBondContact SG-CA 3.34Å; C658-F664 VanDerWaalsContact SG-CB 3.54Å; C658-F664 PolarHBondContact SG-N 2.99Å; C658-F664 VanDerWaalsContact SG-N 3.44Å; F664-M666 HydrophobicContact CE1-CB 3.91Å; F664-C672 HydrophobicContact CE1-CB 4.28Å; F664-C672 HydrophobicContact CE2-CB 3.6Å; F664-C672 HydrophobicContact CZ-CB 3.44Å; F664-C672 VanDerWaalsContact CZ-CB 3.44Å; F664-I707 HydrophobicContact CD2-CD1 4.05Å; F664-I707 HydrophobicContact CE2-CD1 3.69Å
665	I	81.7	Confident	77.6	Confident	65 Å²	65	63 Å²	63	33%	0.333	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.4	170.2	-62.5	-170.2	0	0	0	107.4	C672 A673 V675	I665-C672 CarbonylContact O-C 3.34Å; I665-C672 VanDerWaalsContact O-CA 3.24Å; I665-C672 WeakPolarHBondContact O-CA 3.46Å; I665-C672 WeakPolarHBondContact O-CB 3.4Å; I665-A673 PolarHBondContact N-O 2.77Å; I665-A673 PolarHBondContact O-N 3.38Å; I665-V675 HydrophobicContact CD1-CB 4.49Å; I665-V675 HydrophobicContact CD1-CG2 3.18Å; I665-V675 HydrophobicContact CG1-CG2 3.76Å
666	M	78.7	Confident	78.6	Confident	108 Å²	108	58.1 Å²	58.1	53%	0.532	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.4	172.1	-168.4	176.2	70.4	0	0	107.6	F664 T668	F664-M666 HydrophobicContact CE1-CB 3.91Å; M666-T668 WeakPolarHBondContact CG-O 3.46Å
667	H	74	Confident	79.2	Confident	119 Å²	119	58.2 Å²	58.2	55%	0.551	31%	0.305	S	S	*	.	S	Bend	trans	-85.4	-44.1	172.3	-64.4	-67.8	0	0	0	110.1	D671	H667-D671 WeakPolarHBondContact CA-O 3.45Å; H667-D671 HydrophobicContact CB-CB 4.28Å; H667-D671 WeakPolarHBondContact CB-O 3.49Å; H667-D671 PolarHBondContact N-O 3.46Å
668	T	70.4	Confident	79.3	Confident	65 Å²	65	59.1 Å²	59.1	40%	0.399	32%	0.317	S	S	.	.	S	Bend	trans	-142.1	179.2	171.9	67	0	0	0	0	109.9	M666 S670 D671	M666-T668 WeakPolarHBondContact CG-O 3.46Å; T668-S670 PolarHBondContact O-N 3.36Å; T668-S670 PolarHBondContact OG1-N 3.33Å; T668-S670 PolarHBondContact OG1-OG 3.09Å; T668-D671 PolarHBondContact N-O 3.03Å; T668-D671 VanDerWaalsContact OG1-CB 3.29Å; T668-D671 WeakPolarHBondContact OG1-CB 3.33Å; T668-D671 PolarHBondContact OG1-N 2.84Å
669	F	67.5	Low	79.5	Confident	148 Å²	148	65.8 Å²	65.8	65%	0.649	35%	0.351	S	S	*	.	S	Bend	trans	-63.8	-20	176.1	-60	-76	0	0	0	113.4	C653	C653-F669 WeakPolarHBondContact CB-O 3.32Å
670	S	66	Low	79.8	Confident	28 Å²	28	67.7 Å²	67.7	20%	0.196	36%	0.361	C	S	.	.	S	Bend	trans	-108.7	-23.7	178.7	45.9	0	0	0	0	114.7	E606 C653 T668	E606-S670 WeakPolarHBondContact CG-OG 3.25Å; E606-S670 WeakPolarHBondContact OE2-CB 3.46Å; E606-S670 PolarHBondContact OE2-OG 3.12Å; C653-S670 VanDerWaalsContact SG-C 3.53Å; T668-S670 PolarHBondContact O-N 3.36Å; T668-S670 PolarHBondContact OG1-N 3.33Å; T668-S670 PolarHBondContact OG1-OG 3.09Å
671	D	71.8	Confident	80.1	Confident	91 Å²	91	72.6 Å²	72.6	49%	0.487	38%	0.376	S	S	.	.			trans	-109.8	103.5	-178.8	-169.3	11.6	0	0	0	110.8	H667 T668	H667-D671 WeakPolarHBondContact CA-O 3.45Å; H667-D671 HydrophobicContact CB-CB 4.28Å; H667-D671 WeakPolarHBondContact CB-O 3.49Å; H667-D671 PolarHBondContact N-O 3.46Å; T668-D671 PolarHBondContact N-O 3.03Å; T668-D671 VanDerWaalsContact OG1-CB 3.29Å; T668-D671 WeakPolarHBondContact OG1-CB 3.33Å; T668-D671 PolarHBondContact OG1-N 2.84Å
672	C	73.9	Confident	80.4	Confident	20 Å²	20	75.5 Å²	75.5	14%	0.135	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.1	175	43.9	0	0	0	0	109.6	C653 F664 I665	C653-C672 WeakPolarHBondContact CA-SG 3.24Å; C653-C672 HydrophobicContact CB-CB 3.69Å; C653-C672 WeakPolarHBondContact CB-SG 3.37Å; C653-C672 WeakPolarHBondContact SG-CB 3.18Å; C653-C672 PolarHBondContact SG-N 3.37Å; C653-C672 CovalentContact SG-SG 2.03Å; C653-C672 PolarHBondContact SG-SG 3.45Å; F664-C672 HydrophobicContact CE1-CB 4.28Å; F664-C672 HydrophobicContact CE2-CB 3.6Å; F664-C672 HydrophobicContact CZ-CB 3.44Å; F664-C672 VanDerWaalsContact CZ-CB 3.44Å; I665-C672 CarbonylContact O-C 3.34Å; I665-C672 VanDerWaalsContact O-CA 3.24Å; I665-C672 WeakPolarHBondContact O-CA 3.46Å; I665-C672 WeakPolarHBondContact O-CB 3.4Å
673	A	79.8	Confident	80.5	Confident	31 Å²	31	75 Å²	75	26%	0.256	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.5	-179.3	0	0	0	0	0	110.6	I665 V675	I665-A673 PolarHBondContact N-O 2.77Å; I665-A673 PolarHBondContact O-N 3.38Å; A673-V675 HydrophobicContact CB-CG1 4.47Å
674	C	84.4	Confident	80.7	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.02	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.7	170.2	-63.8	0	0	0	0	108.8	C658 L662 K663 I707 P710	C658-C674 WeakPolarHBondContact CA-SG 3.37Å; C658-C674 HydrophobicContact CB-CB 3.86Å; C658-C674 WeakPolarHBondContact CB-SG 3.15Å; C658-C674 WeakPolarHBondContact SG-CA 3.28Å; C658-C674 WeakPolarHBondContact SG-CB 3.37Å; C658-C674 CovalentContact SG-SG 2.02Å; C658-C674 PolarHBondContact SG-SG 3.01Å; L662-C674 HydrophobicContact CB-CB 3.87Å; L662-C674 HydrophobicContact CD1-CB 3.99Å; L662-C674 HydrophobicContact CG-CB 4.38Å; K663-C674 WeakPolarHBondContact O-CA 3.35Å; C674-I707 HydrophobicContact CB-CG2 4.31Å; C674-I707 WeakPolarHBondContact SG-CB 3.43Å; C674-I707 WeakPolarHBondContact SG-CG2 3.29Å; C674-P710 WeakPolarHBondContact O-CG 3.32Å
675	V	85.3	Confident	80.8	Confident	52 Å²	52	73.6 Å²	73.6	32%	0.315	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.6	-179.4	-55.3	0	0	0	0	111.9	K663 I665 A673	K663-V675 PolarHBondContact N-O 2.79Å; K663-V675 PolarHBondContact O-N 3.08Å; I665-V675 HydrophobicContact CD1-CB 4.49Å; I665-V675 HydrophobicContact CD1-CG2 3.18Å; I665-V675 HydrophobicContact CG1-CG2 3.76Å; A673-V675 HydrophobicContact CB-CG1 4.47Å
676	C	88	Confident	81.1	Confident	14 Å²	14	70.5 Å²	70.5	10%	0.095	36%	0.36	C	S	.	.			trans	-73.7	147.3	170.7	-66.7	0	0	0	0	111.1	C683 F684 L687	C676-C683 WeakPolarHBondContact CA-SG 3.34Å; C676-C683 HydrophobicContact CB-CB 3.64Å; C676-C683 WeakPolarHBondContact CB-SG 3.22Å; C676-C683 WeakPolarHBondContact SG-CB 3.46Å; C676-C683 CovalentContact SG-SG 2.03Å; C676-C683 PolarHBondContact SG-SG 3.39Å; C676-F684 HydrophobicContact CB-CD1 4.2Å; C676-F684 HydrophobicContact CB-CD2 4.4Å; C676-F684 HydrophobicContact CB-CE1 3.86Å; C676-F684 HydrophobicContact CB-CE2 4.06Å; C676-F684 HydrophobicContact CB-CG 4.45Å; C676-F684 HydrophobicContact CB-CZ 3.78Å; C676-L687 WeakPolarHBondContact SG-CD1 3.38Å
677	Q	87.1	Confident	81.4	Confident	81 Å²	81	66.4 Å²	66.4	38%	0.379	34%	0.34	S	S	.	.			trans	-64.8	141.8	165.6	-74.2	-178.1	80.7	0	0	109.9	K663 N679 D680 F684	K663-Q677 HydrophobicContact CD-CG 3.61Å; K663-Q677 HydrophobicContact CG-CG 4.2Å; K663-Q677 VanDerWaalsContact NZ-NE2 3.18Å; Q677-N679 PolarHBondContact O-N 3.04Å; Q677-D680 HydrophobicContact CB-CB 4.08Å; Q677-D680 PolarHBondContact O-N 2.78Å; Q677-F684 WeakPolarHBondContact O-CE2 3.34Å
678	P	78.9	Confident	82	Confident	115 Å²	115	62.7 Å²	62.7	75%	0.747	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.7	-174.6	-27.9	33.5	0	0	0	115.1
679	N	84.2	Confident	82.4	Confident	157 Å²	157	60 Å²	60	84%	0.84	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	1.7	-176.8	-63.8	-17.4	0	0	0	113.8	Q677 K681	Q677-N679 PolarHBondContact O-N 3.04Å; N679-K681 PolarHBondContact O-N 2.78Å
680	D	87.6	Confident	83.1	Confident	39 Å²	39	59.5 Å²	59.5	21%	0.209	31%	0.306	C	S	.	.			trans	-88	87.5	-177.6	-170	-15.9	0	0	0	111.3	Q677 R682 C683 F684	Q677-D680 HydrophobicContact CB-CB 4.08Å; Q677-D680 PolarHBondContact O-N 2.78Å; D680-R682 PolarHBondContact O-N 2.77Å; D680-R682 WeakPolarHBondContact OD1-CB 3.37Å; D680-R682 PolarHBondContact OD1-N 3.3Å; D680-C683 HydrophobicContact CB-CB 3.93Å; D680-C683 PolarHBondContact O-N 3.44Å; D680-C683 PolarHBondContact OD1-N 3.46Å; D680-F684 WeakPolarHBondContact O-CD2 3.2Å; D680-F684 PolarHBondContact O-N 3.47Å
681	K	87.1	Confident	84	Confident	167 Å²	167	63.9 Å²	63.9	73%	0.726	32%	0.319	S	S	*	.	H	α-helix	trans	-57	-34.9	177.2	-64.9	-177	-179.2	178.9	0	112.5	N679 F684 E685	N679-K681 PolarHBondContact O-N 2.78Å; K681-F684 PolarHBondContact O-N 3.31Å; K681-E685 WeakPolarHBondContact O-CG 3.27Å; K681-E685 PolarHBondContact O-N 2.96Å
682	R	87.9	Confident	84.6	Confident	87 Å²	87	65.1 Å²	65.1	33%	0.328	32%	0.321	S	S	.	.	H	α-helix	trans	-67.2	-44.5	-179	178.7	175.6	176.4	-111.7	-11	110.2	D680 F684 E685 L686 E697	D680-R682 PolarHBondContact O-N 2.77Å; D680-R682 WeakPolarHBondContact OD1-CB 3.37Å; D680-R682 PolarHBondContact OD1-N 3.3Å; R682-F684 PolarHBondContact O-N 3.34Å; R682-E685 PolarHBondContact O-N 3.23Å; R682-L686 HydrophobicContact CG-CD1 4.29Å; R682-L686 WeakPolarHBondContact O-CG 3.43Å; R682-L686 PolarHBondContact O-N 3.46Å; R682-E697 IonicContact CZ-OE1 3.99Å; R682-E697 IonicContact CZ-OE2 2.66Å; R682-E697 IonicContact NH1-OE1 2.65Å; R682-E697 PolarHBondContact NH1-OE1 3.17Å; R682-E697 IonicContact NH2-OE1 2.82Å; R682-E697 PolarHBondContact NH2-OE1 3.49Å; R682-E697 IonicContact NH2-OE2 3.84Å; R682-E697 PolarHBondContact NH2-OE2 2.79Å
683	C	88.6	Confident	85.1	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-45.8	177	-172.5	0	0	0	0	112.3	P661 L662 C676 D680 E685 L686 L687	P661-C683 HydrophobicContact CG-CB 3.75Å; L662-C683 WeakPolarHBondContact CD2-SG 3.07Å; C676-C683 WeakPolarHBondContact CA-SG 3.34Å; C676-C683 HydrophobicContact CB-CB 3.64Å; C676-C683 WeakPolarHBondContact CB-SG 3.22Å; C676-C683 WeakPolarHBondContact SG-CB 3.46Å; C676-C683 CovalentContact SG-SG 2.03Å; C676-C683 PolarHBondContact SG-SG 3.39Å; D680-C683 HydrophobicContact CB-CB 3.93Å; D680-C683 PolarHBondContact O-N 3.44Å; D680-C683 PolarHBondContact OD1-N 3.46Å; C683-E685 PolarHBondContact O-N 2.8Å; C683-L686 WeakPolarHBondContact O-CB 3.43Å; C683-L686 PolarHBondContact O-N 3.46Å; C683-L687 PolarHBondContact O-N 2.84Å; C683-L687 VanDerWaalsContact O-N 3.1Å
684	F	88	Confident	85.3	Confident	97 Å²	97	65.6 Å²	65.6	43%	0.425	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-40.1	176.4	-69	-68.9	0	0	0	112.7	C676 Q677 D680 K681 R682 L686 L687 E688	C676-F684 HydrophobicContact CB-CD1 4.2Å; C676-F684 HydrophobicContact CB-CD2 4.4Å; C676-F684 HydrophobicContact CB-CE1 3.86Å; C676-F684 HydrophobicContact CB-CE2 4.06Å; C676-F684 HydrophobicContact CB-CG 4.45Å; C676-F684 HydrophobicContact CB-CZ 3.78Å; Q677-F684 WeakPolarHBondContact O-CE2 3.34Å; D680-F684 WeakPolarHBondContact O-CD2 3.2Å; D680-F684 PolarHBondContact O-N 3.47Å; K681-F684 PolarHBondContact O-N 3.31Å; R682-F684 PolarHBondContact O-N 3.34Å; F684-L686 VanDerWaalsContact C-N 3.29Å; F684-L686 PolarHBondContact O-N 2.94Å; F684-L687 PolarHBondContact O-N 2.84Å; F684-E688 WeakPolarHBondContact O-CG 3.38Å; F684-E688 PolarHBondContact O-N 3.44Å
685	E	86.8	Confident	85.1	Confident	57 Å²	57	68.1 Å²	68.1	27%	0.266	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-31.8	176.1	-74.3	176.4	-162.1	0	0	113	K681 R682 C683 K690 R691	K681-E685 WeakPolarHBondContact O-CG 3.27Å; K681-E685 PolarHBondContact O-N 2.96Å; R682-E685 PolarHBondContact O-N 3.23Å; C683-E685 PolarHBondContact O-N 2.8Å; E685-K690 HydrophobicContact CB-CB 4.38Å; E685-K690 WeakPolarHBondContact O-CB 3.49Å; E685-K690 PolarHBondContact O-N 2.92Å; E685-R691 HydrophobicContact CB-CG 4.23Å; E685-R691 PolarHBondContact O-N 3.18Å; E685-R691 IonicContact OE1-NH2 2.71Å; E685-R691 IonicContact OE2-CZ 2.86Å; E685-R691 IonicContact OE2-NE 3.43Å; E685-R691 PolarHBondContact OE2-NE 2.88Å; E685-R691 IonicContact OE2-NH2 3.09Å; E685-R691 PolarHBondContact OE2-NH2 3.06Å
686	L	87.4	Confident	84.8	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-66.2	-49.3	172.3	-69.6	167.1	0	0	0	111	P661 R682 C683 F684 E688 G689 R691 Q692 F693 C726	P661-L686 HydrophobicContact CG-CD1 3.95Å; R682-L686 HydrophobicContact CG-CD1 4.29Å; R682-L686 WeakPolarHBondContact O-CG 3.43Å; R682-L686 PolarHBondContact O-N 3.46Å; C683-L686 WeakPolarHBondContact O-CB 3.43Å; C683-L686 PolarHBondContact O-N 3.46Å; F684-L686 VanDerWaalsContact C-N 3.29Å; F684-L686 PolarHBondContact O-N 2.94Å; L686-E688 VanDerWaalsContact C-N 3.26Å; L686-E688 PolarHBondContact O-N 3.49Å; L686-G689 PolarHBondContact O-N 2.95Å; L686-R691 HydrophobicContact CD2-CB 3.82Å; L686-R691 HydrophobicContact CG-CB 4.41Å; L686-Q692 VanDerWaalsContact CD2-O 3.22Å; L686-Q692 WeakPolarHBondContact CD2-O 3.48Å; L686-F693 HydrophobicContact CB-CE1 4.09Å; L686-F693 HydrophobicContact CB-CE2 4.22Å; L686-F693 HydrophobicContact CB-CZ 3.86Å; L686-F693 HydrophobicContact CD1-CD1 3.91Å; L686-F693 HydrophobicContact CD1-CE1 3.84Å; L686-F693 HydrophobicContact CD1-CZ 4.47Å; L686-F693 HydrophobicContact CD2-CD1 4.2Å; L686-F693 HydrophobicContact CD2-CD2 4.28Å; L686-F693 HydrophobicContact CD2-CE1 4.49Å; L686-F693 HydrophobicContact CD2-CG 4.08Å; L686-F693 HydrophobicContact CG-CD1 4.48Å; L686-F693 HydrophobicContact CG-CE1 4.37Å; L686-C726 VanDerWaalsContact O-CB 3.32Å; L686-C726 WeakPolarHBondContact O-CB 3.41Å; L686-C726 PolarHBondContact O-SG 2.8Å; L686-C726 VanDerWaalsContact O-SG 3.35Å
687	L	85.4	Confident	84.4	Confident	22 Å²	22	74.5 Å²	74.5	12%	0.115	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-27	-179.6	-66	-173.5	0	0	0	113.8	L662 C676 C683 F684 G689 P709 P710 C711 R712	L662-L687 HydrophobicContact CD1-CD2 4.42Å; L662-L687 HydrophobicContact CD2-CD1 4.11Å; L662-L687 HydrophobicContact CD2-CD2 4.18Å; L662-L687 HydrophobicContact CD2-CG 4.41Å; C676-L687 WeakPolarHBondContact SG-CD1 3.38Å; C683-L687 PolarHBondContact O-N 2.84Å; C683-L687 VanDerWaalsContact O-N 3.1Å; F684-L687 PolarHBondContact O-N 2.84Å; L687-G689 VanDerWaalsContact C-N 3.27Å; L687-P709 HydrophobicContact CD2-CB 3.68Å; L687-P710 HydrophobicContact CD1-CG 4.36Å; L687-P710 HydrophobicContact CD2-CG 4.38Å; L687-C711 WeakPolarHBondContact O-CA 3.44Å; L687-R712 PolarHBondContact O-N 3.34Å
688	E	84.8	Confident	83.9	Confident	40 Å²	40	70.7 Å²	70.7	19%	0.187	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.5	173.8	-70.3	-170.7	153.4	0	0	113.6	F684 L686 K690 R712 Y713 P729	F684-E688 WeakPolarHBondContact O-CG 3.38Å; F684-E688 PolarHBondContact O-N 3.44Å; L686-E688 VanDerWaalsContact C-N 3.26Å; L686-E688 PolarHBondContact O-N 3.49Å; E688-K690 HydrophobicContact CB-CD 4.33Å; E688-K690 HydrophobicContact CB-CG 4.19Å; E688-K690 PolarHBondContact O-N 3.33Å; E688-K690 WeakPolarHBondContact OE2-CD 3.49Å; E688-K690 WeakPolarHBondContact OE2-CE 3.46Å; E688-K690 IonicContact OE2-NZ 3.56Å; E688-K690 PolarHBondContact OE2-NZ 3Å; E688-R712 IonicContact OE1-CZ 3.77Å; E688-R712 IonicContact OE1-NH1 3.88Å; E688-R712 PolarHBondContact OE1-NH1 2.7Å; E688-Y713 WeakPolarHBondContact O-CE2 3.45Å; E688-P729 WeakPolarHBondContact O-CD 3.48Å
689	G	79.8	Confident	83.4	Confident	10 Å²	10	67.7 Å²	67.7	10%	0.103	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	26.7	-174.2	0	0	0	0	0	112.7	L686 L687 H725	L686-G689 PolarHBondContact O-N 2.95Å; L687-G689 VanDerWaalsContact C-N 3.27Å; G689-H725 VanDerWaalsContact C-CE1 3.4Å; G689-H725 PolarHBondContact O-CE1 3.36Å; G689-H725 PolarHBondContact O-NE2 2.76Å; G689-H725 VanDerWaalsContact O-NE2 3.13Å
690	K	82.8	Confident	82.4	Confident	136 Å²	136	63.3 Å²	63.3	59%	0.591	31%	0.305	S	S	*	.	S	Bend	trans	-87.1	-26.7	172.3	-69.8	175.8	176.8	163.2	0	111.9	E685 E688	E685-K690 HydrophobicContact CB-CB 4.38Å; E685-K690 WeakPolarHBondContact O-CB 3.49Å; E685-K690 PolarHBondContact O-N 2.92Å; E688-K690 HydrophobicContact CB-CD 4.33Å; E688-K690 HydrophobicContact CB-CG 4.19Å; E688-K690 PolarHBondContact O-N 3.33Å; E688-K690 WeakPolarHBondContact OE2-CD 3.49Å; E688-K690 WeakPolarHBondContact OE2-CE 3.46Å; E688-K690 IonicContact OE2-NZ 3.56Å; E688-K690 PolarHBondContact OE2-NZ 3Å
691	R	83.5	Confident	80.9	Confident	121 Å²	121	66.2 Å²	66.2	46%	0.457	33%	0.326	S	S	.	.	S	Bend	trans	-125.4	160.6	174	-71.4	-164.3	-164.4	-171.4	10.4	111.4	E685 L686 H725	E685-R691 HydrophobicContact CB-CG 4.23Å; E685-R691 PolarHBondContact O-N 3.18Å; E685-R691 IonicContact OE1-NH2 2.71Å; E685-R691 IonicContact OE2-CZ 2.86Å; E685-R691 IonicContact OE2-NE 3.43Å; E685-R691 PolarHBondContact OE2-NE 2.88Å; E685-R691 IonicContact OE2-NH2 3.09Å; E685-R691 PolarHBondContact OE2-NH2 3.06Å; L686-R691 HydrophobicContact CD2-CB 3.82Å; L686-R691 HydrophobicContact CG-CB 4.41Å; R691-H725 PolarHBondContact O-CE1 2.94Å; R691-H725 PolarHBondContact O-ND1 3.38Å
692	Q	84.4	Confident	79.3	Confident	116 Å²	116	60.3 Å²	60.3	54%	0.542	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-97.8	144.1	174.2	-167.7	-177	2.1	0	0	110	L686 H723 R724 H725	L686-Q692 VanDerWaalsContact CD2-O 3.22Å; L686-Q692 WeakPolarHBondContact CD2-O 3.48Å; Q692-H723 WeakPolarHBondContact CG-O 3.49Å; Q692-H723 PolarHBondContact NE2-O 3.31Å; Q692-R724 HydrophobicContact CG-CB 4.16Å; Q692-R724 WeakPolarHBondContact CG-O 3.47Å; Q692-H725 HydrophobicContact CG-CB 4.19Å
693	F	85.1	Confident	77.7	Confident	5 Å²	5	62.6 Å²	62.6	2%	0.022	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-68.2	145.1	169.3	-66.3	-92.9	0	0	0	109.6	I659 L686 E697 I698 P709 M716 R724	I659-F693 HydrophobicContact CG2-CD1 4.04Å; I659-F693 HydrophobicContact CG2-CE1 4.09Å; L686-F693 HydrophobicContact CB-CE1 4.09Å; L686-F693 HydrophobicContact CB-CE2 4.22Å; L686-F693 HydrophobicContact CB-CZ 3.86Å; L686-F693 HydrophobicContact CD1-CD1 3.91Å; L686-F693 HydrophobicContact CD1-CE1 3.84Å; L686-F693 HydrophobicContact CD1-CZ 4.47Å; L686-F693 HydrophobicContact CD2-CD1 4.2Å; L686-F693 HydrophobicContact CD2-CD2 4.28Å; L686-F693 HydrophobicContact CD2-CE1 4.49Å; L686-F693 HydrophobicContact CD2-CG 4.08Å; L686-F693 HydrophobicContact CG-CD1 4.48Å; L686-F693 HydrophobicContact CG-CE1 4.37Å; F693-E697 HydrophobicContact CB-CB 4.37Å; F693-E697 HydrophobicContact CD1-CB 4.4Å; F693-I698 HydrophobicContact CB-CD1 3.56Å; F693-I698 HydrophobicContact CB-CG1 3.78Å; F693-I698 HydrophobicContact CD1-CD1 4.18Å; F693-I698 HydrophobicContact CD1-CG1 4.38Å; F693-I698 HydrophobicContact CD2-CD1 3.72Å; F693-I698 HydrophobicContact CE2-CD1 4.45Å; F693-I698 HydrophobicContact CG-CD1 3.57Å; F693-I698 HydrophobicContact CG-CG1 4.07Å; F693-P709 HydrophobicContact CE1-CG 4.21Å; F693-P709 HydrophobicContact CE2-CB 4.33Å; F693-P709 HydrophobicContact CE2-CG 3.93Å; F693-P709 HydrophobicContact CZ-CB 3.8Å; F693-P709 HydrophobicContact CZ-CG 3.52Å; F693-M716 HydrophobicContact CE2-SD 4.38Å; F693-R724 HydrophobicContact CB-CB 4.19Å; F693-R724 WeakPolarHBondContact CB-O 3.31Å; F693-R724 WeakPolarHBondContact CD2-O 3.26Å; F693-R724 PolarHBondContact N-O 3.05Å
694	T	85	Confident	76.2	Confident	57 Å²	57	65.2 Å²	65.2	35%	0.35	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-74.2	162.5	176.8	58.7	0	0	0	0	111.2	E696 E697 I698	T694-E696 PolarHBondContact O-N 2.9Å; T694-E697 PolarHBondContact N-OE2 3.04Å; T694-E697 PolarHBondContact O-N 3.43Å; T694-E697 WeakPolarHBondContact OG1-CB 3.15Å; T694-E697 WeakPolarHBondContact OG1-CG 3.2Å; T694-E697 PolarHBondContact OG1-N 3.19Å; T694-E697 PolarHBondContact OG1-OE2 3.36Å; T694-I698 PolarHBondContact O-N 3.4Å; T694-I698 VanDerWaalsContact O-N 3.1Å
695	A	78.6	Confident	75.2	Confident	56 Å²	56	63.1 Å²	63.1	46%	0.463	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.6	176.1	0	0	0	0	0	113	I698	A695-I698 CarbonylContact O-C 3.58Å
696	E	79.4	Confident	74.4	Confident	183 Å²	183	63.5 Å²	63.5	86%	0.855	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-33.5	175.5	-64.3	176.9	-173.6	0	0	112.1	T694	T694-E696 PolarHBondContact O-N 2.9Å
697	E	81.1	Confident	73.6	Confident	17 Å²	17	64.7 Å²	64.7	8%	0.079	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-41.3	177.6	-73.8	165.9	158.4	0	0	112.4	I659 P660 R682 F693 T694 P699	I659-E697 WeakPolarHBondContact CG2-O 3.23Å; P660-E697 HydrophobicContact CB-CG 4.25Å; P660-E697 WeakPolarHBondContact O-CB 3.39Å; P660-E697 VanDerWaalsContact O-CG 3.29Å; P660-E697 WeakPolarHBondContact O-CG 3.28Å; R682-E697 IonicContact CZ-OE1 3.99Å; R682-E697 IonicContact CZ-OE2 2.66Å; R682-E697 IonicContact NH1-OE1 2.65Å; R682-E697 PolarHBondContact NH1-OE1 3.17Å; R682-E697 IonicContact NH2-OE1 2.82Å; R682-E697 PolarHBondContact NH2-OE1 3.49Å; R682-E697 IonicContact NH2-OE2 3.84Å; R682-E697 PolarHBondContact NH2-OE2 2.79Å; F693-E697 HydrophobicContact CB-CB 4.37Å; F693-E697 HydrophobicContact CD1-CB 4.4Å; T694-E697 PolarHBondContact N-OE2 3.04Å; T694-E697 PolarHBondContact O-N 3.43Å; T694-E697 WeakPolarHBondContact OG1-CB 3.15Å; T694-E697 WeakPolarHBondContact OG1-CG 3.2Å; T694-E697 PolarHBondContact OG1-N 3.19Å; T694-E697 PolarHBondContact OG1-OE2 3.36Å; E697-P699 WeakPolarHBondContact O-CD 3.39Å
698	I	75.5	Confident	73.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	-118.7	83.1	176.1	-55.4	-174.8	0	0	0	109.2	I659 F693 T694 A695 L700 L702 L721 R724	I659-I698 HydrophobicContact CD1-CD1 4.11Å; I659-I698 HydrophobicContact CD1-CG1 4.06Å; I659-I698 HydrophobicContact CG2-CD1 4.17Å; I659-I698 HydrophobicContact CG2-CG1 3.58Å; F693-I698 HydrophobicContact CB-CD1 3.56Å; F693-I698 HydrophobicContact CB-CG1 3.78Å; F693-I698 HydrophobicContact CD1-CD1 4.18Å; F693-I698 HydrophobicContact CD1-CG1 4.38Å; F693-I698 HydrophobicContact CD2-CD1 3.72Å; F693-I698 HydrophobicContact CE2-CD1 4.45Å; F693-I698 HydrophobicContact CG-CD1 3.57Å; F693-I698 HydrophobicContact CG-CG1 4.07Å; T694-I698 PolarHBondContact O-N 3.4Å; T694-I698 VanDerWaalsContact O-N 3.1Å; A695-I698 CarbonylContact O-C 3.58Å; I698-L700 HydrophobicContact CG2-CD2 4.13Å; I698-L700 HydrophobicContact CG2-CG 4.22Å; I698-L700 PolarHBondContact O-N 3Å; I698-L702 HydrophobicContact CG2-CD2 4.1Å; I698-L721 HydrophobicContact CG2-CD1 3.84Å; I698-R724 HydrophobicContact CB-CG 4.04Å; I698-R724 HydrophobicContact CD1-CB 4.26Å; I698-R724 HydrophobicContact CG2-CG 4.19Å; I698-R724 PolarHBondContact O-NE 2.61Å; I698-R724 PolarHBondContact O-NH2 3.28Å
699	P	68.9	Low	72.9	Confident	52 Å²	52	65.4 Å²	65.4	34%	0.338	36%	0.357	S	S	.	.			trans	-67.8	123.8	170.5	28	-32.1	0	0	0	108.7	E697 P701 L702	E697-P699 WeakPolarHBondContact O-CD 3.39Å; P699-P701 CarbonylContact O-C 3.51Å; P699-P701 VanDerWaalsContact O-C 3.27Å; P699-L702 WeakPolarHBondContact O-CA 3.21Å; P699-L702 WeakPolarHBondContact O-CD2 3.33Å; P699-L702 PolarHBondContact O-N 3.09Å
700	L	62	Low	73	Confident	66 Å²	66	68.4 Å²	68.4	35%	0.346	37%	0.374	S	S	.	.	S	Bend	trans	-108.1	133.8	174.8	-68.9	172.8	0	0	0	108.7	I698 L702 L721 R724	I698-L700 HydrophobicContact CG2-CD2 4.13Å; I698-L700 HydrophobicContact CG2-CG 4.22Å; I698-L700 PolarHBondContact O-N 3Å; L700-L702 HydrophobicContact CD2-CG 4.28Å; L700-L721 HydrophobicContact CD2-CD1 4.43Å; L700-L721 HydrophobicContact CD2-CD2 4.35Å; L700-L721 HydrophobicContact CD2-CG 4.02Å; L700-R724 HydrophobicContact CD1-CG 4.44Å
701	P	56.8	Low	73	Confident	99 Å²	99	62.7 Å²	62.7	64%	0.643	35%	0.351	S	S	*	.	S	Bend	cis	-66.4	147.5	-5.3	30	-35	0	0	0	111.9	P699 N703	P699-P701 CarbonylContact O-C 3.51Å; P699-P701 VanDerWaalsContact O-C 3.27Å; P701-N703 PolarHBondContact O-N 2.88Å
702	L	54.3	Low	72.9	Confident	43 Å²	43	64.8 Å²	64.8	23%	0.225	36%	0.359	C	S	.	.			trans	-68.3	104.7	175	-75.9	173.8	0	0	0	108.8	I698 P699 L700 G704 Y706 L708 L721	I698-L702 HydrophobicContact CG2-CD2 4.1Å; P699-L702 WeakPolarHBondContact O-CA 3.21Å; P699-L702 WeakPolarHBondContact O-CD2 3.33Å; P699-L702 PolarHBondContact O-N 3.09Å; L700-L702 HydrophobicContact CD2-CG 4.28Å; L702-G704 PolarHBondContact O-N 2.77Å; L702-Y706 HydrophobicContact CB-CD2 4.01Å; L702-Y706 HydrophobicContact CB-CE2 4.39Å; L702-Y706 HydrophobicContact CD2-CD2 3.74Å; L702-Y706 HydrophobicContact CD2-CE2 3.95Å; L702-Y706 HydrophobicContact CD2-CG 4.06Å; L702-Y706 HydrophobicContact CG-CD2 4.32Å; L702-L708 HydrophobicContact CD1-CD2 4.44Å; L702-L721 HydrophobicContact CD1-CD1 3.89Å; L702-L721 HydrophobicContact CD1-CD2 3.96Å
703	N	54.4	Low	72.7	Confident	135 Å²	135	64.3 Å²	64.3	72%	0.722	35%	0.353	S	S	*	.			trans	-86	98.7	174.5	-71.7	-22.2	0	0	0	109.4	P701 Y706	P701-N703 PolarHBondContact O-N 2.88Å; N703-Y706 WeakPolarHBondContact O-CE2 3.36Å
704	G	56.1	Low	72.3	Confident	57 Å²	57	65.8 Å²	65.8	59%	0.588	37%	0.369	S	S	*	.	S	Bend	trans	126.5	179	175.9	0	0	0	0	0	113.8	L702 Y706	L702-G704 PolarHBondContact O-N 2.77Å; G704-Y706 PolarHBondContact O-N 2.74Å; G704-Y706 VanDerWaalsContact O-N 3.17Å
705	S	66.2	Low	71.9	Confident	53 Å²	53	68.9 Å²	68.9	37%	0.371	39%	0.388	S	S	.	.			trans	-85.9	75.8	-179	34.7	0	0	0	0	111.6	N655 R656 L657	N655-S705 PolarHBondContact O-OG 2.97Å; R656-S705 CarbonylContact C-O 3.39Å; R656-S705 WeakPolarHBondContact CA-O 3.33Å; L657-S705 PolarHBondContact N-O 2.71Å
706	Y	71	Confident	71.4	Confident	65 Å²	65	66.6 Å²	66.6	26%	0.255	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	138.7	175.7	-71.3	-90.7	0	0	0	111.9	L657 I659 L702 N703 G704	L657-Y706 HydrophobicContact CB-CD1 3.99Å; L657-Y706 HydrophobicContact CB-CE1 4.05Å; L657-Y706 CarbonylContact O-C 3.27Å; L657-Y706 VanDerWaalsContact O-CA 3.27Å; L657-Y706 WeakPolarHBondContact O-CA 3.35Å; I659-Y706 HydrophobicContact CG1-CD1 3.99Å; L702-Y706 HydrophobicContact CB-CD2 4.01Å; L702-Y706 HydrophobicContact CB-CE2 4.39Å; L702-Y706 HydrophobicContact CD2-CD2 3.74Å; L702-Y706 HydrophobicContact CD2-CE2 3.95Å; L702-Y706 HydrophobicContact CD2-CG 4.06Å; L702-Y706 HydrophobicContact CG-CD2 4.32Å; N703-Y706 WeakPolarHBondContact O-CE2 3.36Å; G704-Y706 PolarHBondContact O-N 2.74Å; G704-Y706 VanDerWaalsContact O-N 3.17Å
707	I	71.4	Confident	71	Confident	26 Å²	26	61 Å²	61	13%	0.133	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.8	164.4	-64.5	168.2	0	0	0	107.2	R656 L657 F664 C674	R656-I707 HydrophobicContact CB-CD1 3.82Å; R656-I707 HydrophobicContact CB-CG1 3.93Å; R656-I707 HydrophobicContact CG-CG1 4.35Å; L657-I707 PolarHBondContact O-N 2.68Å; F664-I707 HydrophobicContact CD2-CD1 4.05Å; F664-I707 HydrophobicContact CE2-CD1 3.69Å; C674-I707 HydrophobicContact CB-CG2 4.31Å; C674-I707 WeakPolarHBondContact SG-CB 3.43Å; C674-I707 WeakPolarHBondContact SG-CG2 3.29Å
708	L	77.2	Confident	70.1	Confident	72 Å²	72	63.5 Å²	63.5	38%	0.377	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-65.3	149.5	178.7	-67	176	0	0	0	111.3	I659 L702 M716 L721	I659-L708 HydrophobicContact CD1-CD2 4.34Å; L702-L708 HydrophobicContact CD1-CD2 4.44Å; L708-M716 HydrophobicContact CD1-CB 4.42Å; L708-M716 WeakPolarHBondContact CD1-O 3.26Å; L708-L721 HydrophobicContact CD2-CD1 4.08Å
709	P	77.7	Confident	69.7	Low	5 Å²	5	67.2 Å²	67.2	3%	0.032	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-60.2	135.3	-179.2	-22	35.3	0	0	0	110.9	I659 L662 L687 F693 C711 M716	I659-P709 HydrophobicContact CB-CG 4.46Å; I659-P709 HydrophobicContact CD1-CG 4.05Å; L662-P709 HydrophobicContact CD1-CB 3.84Å; L662-P709 HydrophobicContact CD1-CG 4.18Å; L687-P709 HydrophobicContact CD2-CB 3.68Å; F693-P709 HydrophobicContact CE1-CG 4.21Å; F693-P709 HydrophobicContact CE2-CB 4.33Å; F693-P709 HydrophobicContact CE2-CG 3.93Å; F693-P709 HydrophobicContact CZ-CB 3.8Å; F693-P709 HydrophobicContact CZ-CG 3.52Å; P709-C711 PolarHBondContact O-N 2.76Å; P709-M716 HydrophobicContact CB-SD 4.46Å; P709-M716 VanDerWaalsContact CD-SD 3.59Å; P709-M716 HydrophobicContact CG-SD 3.74Å
710	P	81.2	Confident	69.9	Low	73 Å²	73	66.9 Å²	66.9	47%	0.474	37%	0.371	S	S	.	.			trans	-75.6	74.2	174.6	32	-35.4	0	0	0	110	C674 L687	C674-P710 WeakPolarHBondContact O-CG 3.32Å; L687-P710 HydrophobicContact CD1-CG 4.36Å; L687-P710 HydrophobicContact CD2-CG 4.38Å
711	C	83.3	Confident	70.3	Confident	15 Å²	15	65 Å²	65	10%	0.101	36%	0.361	C	S	.	.			trans	-65.3	143.9	-178	-53.6	0	0	0	0	111.1	L687 P709 Y713 G714 M716 C726 P727	L687-C711 WeakPolarHBondContact O-CA 3.44Å; P709-C711 PolarHBondContact O-N 2.76Å; C711-Y713 PolarHBondContact O-N 2.76Å; C711-G714 VanDerWaalsContact CB-O 3.24Å; C711-G714 WeakPolarHBondContact CB-O 3.46Å; C711-M716 WeakPolarHBondContact SG-CG 3.47Å; C711-C726 HydrophobicContact CB-CB 3.55Å; C711-C726 WeakPolarHBondContact CB-SG 3.43Å; C711-C726 VanDerWaalsContact SG-CA 3.52Å; C711-C726 WeakPolarHBondContact SG-CB 3.13Å; C711-C726 CovalentContact SG-SG 2.02Å; C711-C726 PolarHBondContact SG-SG 3.28Å; C711-P727 HydrophobicContact CB-CG 4.23Å
712	R	81.5	Confident	71.1	Confident	166 Å²	166	67.6 Å²	67.6	63%	0.626	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.2	-170.4	-174.7	176.5	-178.9	176.6	0.6	114	L687 E688	L687-R712 PolarHBondContact O-N 3.34Å; E688-R712 IonicContact OE1-CZ 3.77Å; E688-R712 IonicContact OE1-NH1 3.88Å; E688-R712 PolarHBondContact OE1-NH1 2.7Å
713	Y	79.4	Confident	72.2	Confident	106 Å²	106	70.1 Å²	70.1	42%	0.416	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	2.1	-170.7	-60.3	-79	0	0	0	114.3	E688 C711 P727 P729	E688-Y713 WeakPolarHBondContact O-CE2 3.45Å; C711-Y713 PolarHBondContact O-N 2.76Å; Y713-P727 WeakPolarHBondContact CB-O 3.4Å; Y713-P729 HydrophobicContact CD1-CB 4.33Å; Y713-P729 HydrophobicContact CD2-CB 4.49Å; Y713-P729 HydrophobicContact CE1-CB 3.81Å; Y713-P729 HydrophobicContact CE2-CB 4Å; Y713-P729 VanDerWaalsContact CE2-CD 3.46Å; Y713-P729 HydrophobicContact CE2-CG 4.06Å
714	G	76.8	Confident	73.3	Confident	35 Å²	35	66.6 Å²	66.6	36%	0.361	35%	0.346	S	S	.	.	S	Bend	trans	161.9	174.9	-178.7	0	0	0	0	0	111.4	C711	C711-G714 VanDerWaalsContact CB-O 3.24Å; C711-G714 WeakPolarHBondContact CB-O 3.46Å
715	V	77	Confident	74.6	Confident	122 Å²	122	66.6 Å²	66.6	74%	0.739	33%	0.331	S	S	*	.			trans	-77.6	152.1	173.1	-66.5	0	0	0	0	110.7	D717	V715-D717 PolarHBondContact O-N 3.27Å; V715-D717 VanDerWaalsContact O-N 3.08Å
716	M	69.2	Low	75.4	Confident	8 Å²	8	64.1 Å²	64.1	4%	0.039	31%	0.313	C	S	.	.			trans	-71.6	99	166.1	-78.7	-155.1	74.1	0	0	109.3	F693 L708 P709 C711 H720 L721	F693-M716 HydrophobicContact CE2-SD 4.38Å; L708-M716 HydrophobicContact CD1-CB 4.42Å; L708-M716 WeakPolarHBondContact CD1-O 3.26Å; P709-M716 HydrophobicContact CB-SD 4.46Å; P709-M716 VanDerWaalsContact CD-SD 3.59Å; P709-M716 HydrophobicContact CG-SD 3.74Å; C711-M716 WeakPolarHBondContact SG-CG 3.47Å; M716-H720 HydrophobicContact CB-CB 4.44Å; M716-H720 HydrophobicContact CE-CB 3.95Å; M716-H720 WeakPolarHBondContact CE-O 3.49Å; M716-H720 HydrophobicContact CG-CB 4.45Å; M716-L721 HydrophobicContact CE-CB 4.19Å; M716-L721 HydrophobicContact CE-CD1 4.26Å; M716-L721 VanDerWaalsContact CE-N 3.32Å
717	D	69.4	Low	75.8	Confident	66 Å²	66	61.8 Å²	61.8	35%	0.353	31%	0.306	S	S	.	.			trans	-76.3	-179.7	166.7	64.3	27.9	0	0	0	111.6	V715 L719 H720 L721	V715-D717 PolarHBondContact O-N 3.27Å; V715-D717 VanDerWaalsContact O-N 3.08Å; D717-L719 PolarHBondContact O-N 3.15Å; D717-L719 WeakPolarHBondContact OD1-CA 3.35Å; D717-L719 WeakPolarHBondContact OD1-CB 3.37Å; D717-L719 PolarHBondContact OD1-N 3.17Å; D717-H720 PolarHBondContact O-N 2.74Å; D717-H720 WeakPolarHBondContact OD1-CB 3.38Å; D717-H720 IonicContact OD1-CE1 3.97Å; D717-H720 IonicContact OD1-CG 3.08Å; D717-H720 PolarHBondContact OD1-N 3.16Å; D717-H720 IonicContact OD1-ND1 2.75Å; D717-H720 PolarHBondContact OD1-ND1 3.03Å; D717-H720 IonicContact OD2-CE1 2.66Å; D717-H720 IonicContact OD2-ND1 2.74Å; D717-H720 PolarHBondContact OD2-ND1 3.49Å; D717-H720 VanDerWaalsContact OD2-ND1 3.09Å; D717-L721 VanDerWaalsContact O-CB 3.3Å; D717-L721 WeakPolarHBondContact O-CB 3.4Å; D717-L721 PolarHBondContact O-N 3.27Å
718	D	63.2	Low	76	Confident	69 Å²	69	61.7 Å²	61.7	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-29	179.9	-72	-5.1	0	0	0	113.5	Y722	D718-Y722 VanDerWaalsContact O-CB 3.27Å; D718-Y722 WeakPolarHBondContact O-CB 3.48Å; D718-Y722 PolarHBondContact O-N 3.13Å
719	L	65.9	Low	75.6	Confident	78 Å²	78	61 Å²	61	41%	0.408	31%	0.312	S	S	.	.	H	α-helix	trans	-70.8	-50.7	176.4	-174.7	63.8	0	0	0	110.6	R507 D717 L721 Y722 H723	R507-L719 VanDerWaalsContact NH2-N 3.19Å; D717-L719 PolarHBondContact O-N 3.15Å; D717-L719 WeakPolarHBondContact OD1-CA 3.35Å; D717-L719 WeakPolarHBondContact OD1-CB 3.37Å; D717-L719 PolarHBondContact OD1-N 3.17Å; L719-L721 VanDerWaalsContact C-N 3.26Å; L719-L721 PolarHBondContact O-N 3.4Å; L719-Y722 PolarHBondContact O-N 3.47Å; L719-H723 PolarHBondContact O-CD2 3.32Å; L719-H723 PolarHBondContact O-N 2.63Å
720	H	73.4	Confident	74.5	Confident	45 Å²	45	67 Å²	67	21%	0.208	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-38.2	177.1	-70.1	98.8	0	0	0	110.6	M716 D717 H723 R724 H725 P727	M716-H720 HydrophobicContact CB-CB 4.44Å; M716-H720 HydrophobicContact CE-CB 3.95Å; M716-H720 WeakPolarHBondContact CE-O 3.49Å; M716-H720 HydrophobicContact CG-CB 4.45Å; D717-H720 PolarHBondContact O-N 2.74Å; D717-H720 WeakPolarHBondContact OD1-CB 3.38Å; D717-H720 IonicContact OD1-CE1 3.97Å; D717-H720 IonicContact OD1-CG 3.08Å; D717-H720 PolarHBondContact OD1-N 3.16Å; D717-H720 IonicContact OD1-ND1 2.75Å; D717-H720 PolarHBondContact OD1-ND1 3.03Å; D717-H720 IonicContact OD2-CE1 2.66Å; D717-H720 IonicContact OD2-ND1 2.74Å; D717-H720 PolarHBondContact OD2-ND1 3.49Å; D717-H720 VanDerWaalsContact OD2-ND1 3.09Å; H720-H723 CarbonylContact O-C 3.54Å; H720-H723 PolarHBondContact O-N 2.92Å; H720-R724 CarbonylContact O-C 3.58Å; H720-R724 WeakPolarHBondContact O-CA 3.37Å; H720-R724 PolarHBondContact O-N 3.17Å; H720-H725 WeakPolarHBondContact CA-O 3.49Å; H720-H725 WeakPolarHBondContact CB-O 3.46Å; H720-H725 PolarHBondContact CD2-O 3.34Å; H720-H725 VanDerWaalsContact CD2-O 3.29Å; H720-H725 PolarHBondContact O-N 3.12Å; H720-P727 WeakPolarHBondContact NE2-CA 3.44Å
721	L	71	Confident	73	Confident	28 Å²	28	73.5 Å²	73.5	15%	0.147	36%	0.363	C	S	.	.	H	α-helix	trans	-66.7	-45.5	176.9	-173.5	64.9	0	0	0	112	I698 L700 L702 L708 M716 D717 L719 H723 R724	I698-L721 HydrophobicContact CG2-CD1 3.84Å; L700-L721 HydrophobicContact CD2-CD1 4.43Å; L700-L721 HydrophobicContact CD2-CD2 4.35Å; L700-L721 HydrophobicContact CD2-CG 4.02Å; L702-L721 HydrophobicContact CD1-CD1 3.89Å; L702-L721 HydrophobicContact CD1-CD2 3.96Å; L708-L721 HydrophobicContact CD2-CD1 4.08Å; M716-L721 HydrophobicContact CE-CB 4.19Å; M716-L721 HydrophobicContact CE-CD1 4.26Å; M716-L721 VanDerWaalsContact CE-N 3.32Å; D717-L721 VanDerWaalsContact O-CB 3.3Å; D717-L721 WeakPolarHBondContact O-CB 3.4Å; D717-L721 PolarHBondContact O-N 3.27Å; L719-L721 VanDerWaalsContact C-N 3.26Å; L719-L721 PolarHBondContact O-N 3.4Å; L721-H723 VanDerWaalsContact C-N 3.33Å; L721-H723 PolarHBondContact O-N 3.46Å; L721-R724 WeakPolarHBondContact O-CA 3.36Å; L721-R724 PolarHBondContact O-N 2.75Å
722	Y	73	Confident	70.9	Confident	153 Å²	153	79.7 Å²	79.7	60%	0.6	40%	0.396	S	S	*	.	H	α-helix	trans	-58.5	-45.6	174	-179.9	-100.6	0	0	0	111.9	D718 L719 R724	D718-Y722 VanDerWaalsContact O-CB 3.27Å; D718-Y722 WeakPolarHBondContact O-CB 3.48Å; D718-Y722 PolarHBondContact O-N 3.13Å; L719-Y722 PolarHBondContact O-N 3.47Å; Y722-R724 PolarHBondContact O-N 2.93Å
723	H	77.9	Confident	68.8	Low	96 Å²	96	77.1 Å²	77.1	44%	0.444	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	3.4	174.7	-68.4	-64.7	0	0	0	113.4	Q692 L719 H720 L721 H725	Q692-H723 WeakPolarHBondContact CG-O 3.49Å; Q692-H723 PolarHBondContact NE2-O 3.31Å; L719-H723 PolarHBondContact O-CD2 3.32Å; L719-H723 PolarHBondContact O-N 2.63Å; H720-H723 CarbonylContact O-C 3.54Å; H720-H723 PolarHBondContact O-N 2.92Å; L721-H723 VanDerWaalsContact C-N 3.33Å; L721-H723 PolarHBondContact O-N 3.46Å; H723-H725 HydrophobicContact CB-CB 4.41Å; H723-H725 WeakPolarHBondContact O-CB 3.15Å; H723-H725 PolarHBondContact O-N 3.28Å; H723-H725 VanDerWaalsContact O-N 3.08Å
724	R	77.9	Confident	66.5	Low	61 Å²	61	80.4 Å²	80.4	23%	0.23	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	38.8	-179	-58.3	-177.8	173.2	124.6	-4.2	112.7	Q692 F693 I698 L700 H720 L721 Y722	Q692-R724 HydrophobicContact CG-CB 4.16Å; Q692-R724 WeakPolarHBondContact CG-O 3.47Å; F693-R724 HydrophobicContact CB-CB 4.19Å; F693-R724 WeakPolarHBondContact CB-O 3.31Å; F693-R724 WeakPolarHBondContact CD2-O 3.26Å; F693-R724 PolarHBondContact N-O 3.05Å; I698-R724 HydrophobicContact CB-CG 4.04Å; I698-R724 HydrophobicContact CD1-CB 4.26Å; I698-R724 HydrophobicContact CG2-CG 4.19Å; I698-R724 PolarHBondContact O-NE 2.61Å; I698-R724 PolarHBondContact O-NH2 3.28Å; L700-R724 HydrophobicContact CD1-CG 4.44Å; H720-R724 CarbonylContact O-C 3.58Å; H720-R724 WeakPolarHBondContact O-CA 3.37Å; H720-R724 PolarHBondContact O-N 3.17Å; L721-R724 WeakPolarHBondContact O-CA 3.36Å; L721-R724 PolarHBondContact O-N 2.75Å; Y722-R724 PolarHBondContact O-N 2.93Å
725	H	83.2	Confident	64.5	Low	57 Å²	57	84.4 Å²	84.4	26%	0.264	44%	0.435	S	S	.	.			trans	-139.8	125.7	-169.7	-168.2	55.3	0	0	0	110.8	G689 R691 Q692 H720 H723	G689-H725 VanDerWaalsContact C-CE1 3.4Å; G689-H725 PolarHBondContact O-CE1 3.36Å; G689-H725 PolarHBondContact O-NE2 2.76Å; G689-H725 VanDerWaalsContact O-NE2 3.13Å; R691-H725 PolarHBondContact O-CE1 2.94Å; R691-H725 PolarHBondContact O-ND1 3.38Å; Q692-H725 HydrophobicContact CG-CB 4.19Å; H720-H725 WeakPolarHBondContact CA-O 3.49Å; H720-H725 WeakPolarHBondContact CB-O 3.46Å; H720-H725 PolarHBondContact CD2-O 3.34Å; H720-H725 VanDerWaalsContact CD2-O 3.29Å; H720-H725 PolarHBondContact O-N 3.12Å; H723-H725 HydrophobicContact CB-CB 4.41Å; H723-H725 WeakPolarHBondContact O-CB 3.15Å; H723-H725 PolarHBondContact O-N 3.28Å; H723-H725 VanDerWaalsContact O-N 3.08Å
726	C	83.8	Confident	62.5	Low	0 Å²	0	86.5 Å²	86.5	0%	0	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-60.1	146.8	171	-81.4	0	0	0	0	110.7	L686 C711 G728	L686-C726 VanDerWaalsContact O-CB 3.32Å; L686-C726 WeakPolarHBondContact O-CB 3.41Å; L686-C726 PolarHBondContact O-SG 2.8Å; L686-C726 VanDerWaalsContact O-SG 3.35Å; C711-C726 HydrophobicContact CB-CB 3.55Å; C711-C726 WeakPolarHBondContact CB-SG 3.43Å; C711-C726 VanDerWaalsContact SG-CA 3.52Å; C711-C726 WeakPolarHBondContact SG-CB 3.13Å; C711-C726 CovalentContact SG-SG 2.02Å; C711-C726 PolarHBondContact SG-SG 3.28Å; C726-G728 PolarHBondContact O-N 3.47Å; C726-G728 VanDerWaalsContact O-N 3.12Å
727	P	78.5	Confident	60.7	Low	16 Å²	16	99.2 Å²	99.2	10%	0.104	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-54.9	122.3	167.6	20.9	-30.5	0	0	0	109.4	C711 Y713 H720	C711-P727 HydrophobicContact CB-CG 4.23Å; Y713-P727 WeakPolarHBondContact CB-O 3.4Å; H720-P727 WeakPolarHBondContact NE2-CA 3.44Å
728	G	74.8	Confident	60.3	Low	25 Å²	25	100.9 Å²	100.9	26%	0.258	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-80.7	172.7	176.6	0	0	0	0	0	112.1	C726 T730	C726-G728 PolarHBondContact O-N 3.47Å; C726-G728 VanDerWaalsContact O-N 3.12Å; G728-T730 PolarHBondContact O-N 3.31Å; G728-T730 VanDerWaalsContact O-N 3.1Å
729	P	69.1	Low	60.1	Low	58 Å²	58	102.6 Å²	102.6	38%	0.377	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-57.4	123.7	165.9	24	-27.9	0	0	0	106.5	E688 Y713 R731	E688-P729 WeakPolarHBondContact O-CD 3.48Å; Y713-P729 HydrophobicContact CD1-CB 4.33Å; Y713-P729 HydrophobicContact CD2-CB 4.49Å; Y713-P729 HydrophobicContact CE1-CB 3.81Å; Y713-P729 HydrophobicContact CE2-CB 4Å; Y713-P729 VanDerWaalsContact CE2-CD 3.46Å; Y713-P729 HydrophobicContact CE2-CG 4.06Å; P729-R731 PolarHBondContact O-N 3.46Å
730	T	55.9	Low	59.8	Low	129 Å²	129	103.9 Å²	103.9	79%	0.791	52%	0.515	S	S	*	.			trans	-52.4	100.4	168.7	42.6	0	0	0	0	106.2	G728 N732	G728-T730 PolarHBondContact O-N 3.31Å; G728-T730 VanDerWaalsContact O-N 3.1Å; T730-N732 PolarHBondContact O-N 3.35Å
731	R	47.9	Very low	59	Low	211 Å²	211	107.4 Å²	107.4	80%	0.796	53%	0.533	S	S	*	.			trans	-55.3	132.3	163.5	-74.1	-175.1	178.8	-174.4	0.9	102.5	P729 T733	P729-R731 PolarHBondContact O-N 3.46Å; R731-T733 HydrophobicContact CB-CG2 3.94Å; R731-T733 PolarHBondContact O-N 3.4Å; R731-T733 PolarHBondContact O-OG1 3.18Å
732	N	40.3	Very low	58.3	Low	145 Å²	145	112.4 Å²	112.4	78%	0.775	56%	0.557	S	S	*	*			trans	-63.3	60.6	165	-68.8	-29	0	0	0	107.9	T730 F734	T730-N732 PolarHBondContact O-N 3.35Å; N732-F734 VanDerWaalsContact O-CD2 3.26Å; N732-F734 WeakPolarHBondContact O-CD2 3.39Å; N732-F734 PolarHBondContact O-N 3.44Å
733	T	38.2	Very low	57.3	Low	111 Å²	111	109.7 Å²	109.7	68%	0.681	55%	0.554	S	S	*	*			trans	-66	91	165.3	43.4	0	0	0	0	103.2	R731	R731-T733 HydrophobicContact CB-CG2 3.94Å; R731-T733 PolarHBondContact O-N 3.4Å; R731-T733 PolarHBondContact O-OG1 3.18Å
734	F	31.3	Very low	55.8	Low	175 Å²	175	110.6 Å²	110.6	77%	0.768	56%	0.562	S	S	*	*			trans	-34.6	137.6	156.4	-71.3	-89	0	0	0	108.4	N732 I736	N732-F734 VanDerWaalsContact O-CD2 3.26Å; N732-F734 WeakPolarHBondContact O-CD2 3.39Å; N732-F734 PolarHBondContact O-N 3.44Å; F734-I736 PolarHBondContact O-N 3.26Å
735	P	34.3	Very low	54.1	Low	119 Å²	119	114.5 Å²	114.5	77%	0.773	59%	0.588	S	S	*	*			trans	-48	120.8	176.8	20.3	-31.1	0	0	0	107.9	K737	P735-K737 PolarHBondContact O-N 3.47Å
736	I	33.9	Very low	51.7	Low	166 Å²	166	119.3 Å²	119.3	85%	0.851	61%	0.614	S	S	*	*			trans	-52.5	126.8	170.4	-63.5	166.4	0	0	0	105.2	F734	F734-I736 PolarHBondContact O-N 3.26Å
737	K	32.1	Very low	48.8	Very low	276 Å²	276	130.1 Å²	130.1	100%	1.2	67%	0.67	S	S	*	*			trans	-48.4	0	-170	-89.3	179.9	173.3	176.8	0	114.2	P735	P735-K737 PolarHBondContact O-N 3.47Å

Retrieved 737 of 737 residues in 113.1 ms (Link to these results)

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