G4LXB9_SCHMA Loading...

Retinoic acid receptor RXR

AlphaFold DB , UniProt , Accession G4LXB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 743 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	29.6	Very low	36	Very low	199 Å²	199	104.2 Å²	104.2	98%	0.98	56%	0.564	S	S	*	*				0	-67.6	0	-148.5	171.4	-160.8	0	0	111.6	M3 S4 I5	M1-M3 PolarHBondContact O-N 3Å; M1-S4 WeakPolarHBondContact O-CA 3.41Å; M1-S4 WeakPolarHBondContact O-CB 3.46Å; M1-S4 PolarHBondContact O-N 3.37Å; M1-S4 PolarHBondContact O-OG 2.89Å; M1-I5 PolarHBondContact O-N 3.24Å
2	I	29.9	Very low	36.4	Very low	106 Å²	106	106.3 Å²	106.3	54%	0.544	57%	0.573	S	S	.	*	H	α-helix	trans	-60.2	-45	-178.1	-62.8	173.6	0	0	0	112.7	S4 I5 F6 F653	I2-S4 PolarHBondContact O-N 3.3Å; I2-I5 WeakPolarHBondContact O-CB 3.3Å; I2-I5 PolarHBondContact O-N 2.97Å; I2-F6 HydrophobicContact CG2-CD2 4.23Å; I2-F6 HydrophobicContact CG2-CE2 3.87Å; I2-F6 PolarHBondContact O-N 3.31Å; I2-F653 HydrophobicContact CG2-CZ 3.91Å
3	M	35.1	Very low	36.7	Very low	133 Å²	133	110.2 Å²	110.2	66%	0.655	58%	0.584	S	S	*	*	H	α-helix	trans	-57.2	-32.8	174	-61.4	-52.8	-162.9	0	0	113.1	M1 I5 F6 A7	M1-M3 PolarHBondContact O-N 3Å; M3-I5 PolarHBondContact O-N 3.45Å; M3-F6 PolarHBondContact O-N 2.81Å; M3-A7 PolarHBondContact O-N 2.83Å; M3-A7 VanDerWaalsContact O-N 3.08Å
4	S	31.8	Very low	36.8	Very low	67 Å²	67	114.1 Å²	114.1	47%	0.469	60%	0.601	S	S	.	*	H	α-helix	trans	-71	-18.2	176.6	-38	0	0	0	0	112.9	M1 I2 N8	M1-S4 WeakPolarHBondContact O-CA 3.41Å; M1-S4 WeakPolarHBondContact O-CB 3.46Å; M1-S4 PolarHBondContact O-N 3.37Å; M1-S4 PolarHBondContact O-OG 2.89Å; I2-S4 PolarHBondContact O-N 3.3Å; S4-N8 PolarHBondContact O-ND2 3.07Å
5	I	37.7	Very low	36.7	Very low	103 Å²	103	115.6 Å²	115.6	53%	0.528	61%	0.609	S	S	.	*	H	α-helix	trans	-77.5	-46.8	173.3	-61	173.3	0	0	0	109.3	M1 I2 M3 N8 H9	M1-I5 PolarHBondContact O-N 3.24Å; I2-I5 WeakPolarHBondContact O-CB 3.3Å; I2-I5 PolarHBondContact O-N 2.97Å; M3-I5 PolarHBondContact O-N 3.45Å; I5-N8 PolarHBondContact O-N 2.8Å; I5-H9 WeakPolarHBondContact O-CB 3.22Å; I5-H9 PolarHBondContact O-N 3.24Å
6	F	37.7	Very low	36.6	Very low	98 Å²	98	119.3 Å²	119.3	43%	0.43	62%	0.622	S	S	.	*	H	α-helix	trans	-63	-44.3	177.4	-72.2	-75.3	0	0	0	112.8	I2 M3 N8 H9 D10 F653	I2-F6 HydrophobicContact CG2-CD2 4.23Å; I2-F6 HydrophobicContact CG2-CE2 3.87Å; I2-F6 PolarHBondContact O-N 3.31Å; M3-F6 PolarHBondContact O-N 2.81Å; F6-N8 PolarHBondContact O-N 2.99Å; F6-N8 VanDerWaalsContact O-N 3.14Å; F6-H9 PolarHBondContact O-N 3.28Å; F6-D10 PolarHBondContact O-N 2.88Å; F6-F653 HydrophobicContact CD2-CZ 4.46Å; F6-F653 HydrophobicContact CE2-CE1 4.43Å; F6-F653 AromaticContact CE2-CE2 3.91Å; F6-F653 HydrophobicContact CE2-CE2 3.91Å; F6-F653 AromaticContact CE2-CZ 3.63Å; F6-F653 HydrophobicContact CE2-CZ 3.63Å; F6-F653 HydrophobicContact CZ-CE2 4.09Å; F6-F653 HydrophobicContact CZ-CZ 4.24Å
7	A	40.7	Very low	36.1	Very low	67 Å²	67	117.4 Å²	117.4	55%	0.554	64%	0.638	S	S	*	*	H	α-helix	trans	-56.5	-31	175.7	0	0	0	0	0	113.5	M3 A11	M3-A7 PolarHBondContact O-N 2.83Å; M3-A7 VanDerWaalsContact O-N 3.08Å; A7-A11 WeakPolarHBondContact O-CB 3.5Å
8	N	36.8	Very low	36	Very low	105 Å²	105	118.2 Å²	118.2	56%	0.561	65%	0.647	S	S	*	*	H	α-helix	trans	-83.5	-34.9	172.9	-78.3	-72.7	0	0	0	112.7	S4 I5 F6 A11 I12	S4-N8 PolarHBondContact O-ND2 3.07Å; I5-N8 PolarHBondContact O-N 2.8Å; F6-N8 PolarHBondContact O-N 2.99Å; F6-N8 VanDerWaalsContact O-N 3.14Å; N8-A11 PolarHBondContact O-N 2.76Å; N8-I12 WeakPolarHBondContact O-CD1 3.42Å; N8-I12 VanDerWaalsContact O-CG1 3.28Å; N8-I12 WeakPolarHBondContact O-CG1 3.41Å; N8-I12 PolarHBondContact O-N 3.29Å
9	H	39.3	Very low	35.7	Very low	120 Å²	120	117.6 Å²	117.6	56%	0.556	65%	0.652	S	S	*	*	H	α-helix	trans	-68.9	-34.9	-176.6	-155.5	-61.5	0	0	0	112.9	I5 F6	I5-H9 WeakPolarHBondContact O-CB 3.22Å; I5-H9 PolarHBondContact O-N 3.24Å; F6-H9 PolarHBondContact O-N 3.28Å
10	D	39.9	Very low	35.4	Very low	100 Å²	100	119.7 Å²	119.7	54%	0.535	66%	0.662	S	S	.	*	H	α-helix	trans	-79.7	-34.8	174.7	-67.5	-35.8	0	0	0	111.9	F6 I12 H13	F6-D10 PolarHBondContact O-N 2.88Å; D10-I12 VanDerWaalsContact C-N 3.25Å; D10-I12 PolarHBondContact O-N 3Å; D10-H13 PolarHBondContact O-N 2.74Å; D10-H13 VanDerWaalsContact O-N 3.11Å
11	A	37.9	Very low	35	Very low	48 Å²	48	122.3 Å²	122.3	40%	0.397	67%	0.67	S	S	.	*	H	α-helix	trans	-63.1	-29.1	176.6	0	0	0	0	0	113.5	A7 N8 H13 M14	A7-A11 WeakPolarHBondContact O-CB 3.5Å; N8-A11 PolarHBondContact O-N 2.76Å; A11-H13 PolarHBondContact O-N 3.4Å; A11-M14 PolarHBondContact O-N 3.29Å
12	I	40.5	Very low	35	Very low	130 Å²	130	118.5 Å²	118.5	67%	0.667	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-25	175.8	-74	164.5	0	0	0	112.1	N8 D10	N8-I12 WeakPolarHBondContact O-CD1 3.42Å; N8-I12 VanDerWaalsContact O-CG1 3.28Å; N8-I12 WeakPolarHBondContact O-CG1 3.41Å; N8-I12 PolarHBondContact O-N 3.29Å; D10-I12 VanDerWaalsContact C-N 3.25Å; D10-I12 PolarHBondContact O-N 3Å
13	H	40.2	Very low	35	Very low	156 Å²	156	118.9 Å²	118.9	72%	0.722	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-7.8	-179.5	-100.6	-79	0	0	0	115.2	D10 A11	D10-H13 PolarHBondContact O-N 2.74Å; D10-H13 VanDerWaalsContact O-N 3.11Å; A11-H13 PolarHBondContact O-N 3.4Å
14	M	38.5	Very low	34.6	Very low	165 Å²	165	120.5 Å²	120.5	81%	0.813	68%	0.68	S	S	*	*	S	Bend	trans	-101.6	2.4	-172.1	-75.3	-70.8	176	0	0	115.3	A11	A11-M14 PolarHBondContact O-N 3.29Å
15	N	34.5	Very low	34.6	Very low	137 Å²	137	125.8 Å²	125.8	73%	0.733	69%	0.691	S	S	*	*	S	Bend	trans	-110.8	13.3	-169.1	-97.2	-48	0	0	0	116.3
16	H	34.9	Very low	34.1	Very low	175 Å²	175	126.7 Å²	126.7	81%	0.81	70%	0.701	S	S	*	*			trans	-126	94.7	172.1	-81.9	-65.4	0	0	0	111.8	V18	H16-V18 PolarHBondContact O-N 2.99Å
17	G	28.4	Very low	33.8	Very low	86 Å²	86	127.3 Å²	127.3	89%	0.887	71%	0.705	S	S	*	*			trans	-71.6	122.8	167.5	0	0	0	0	0	111
18	V	33.8	Very low	33.1	Very low	133 Å²	133	129.5 Å²	129.5	81%	0.806	72%	0.716	S	S	*	*			trans	-133.5	137.4	170.2	-177.8	0	0	0	0	107.4	H16	H16-V18 PolarHBondContact O-N 2.99Å
19	S	31.1	Very low	33	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	73%	0.725	S	S	*	*			trans	-74.5	171.4	-176.9	51.6	0	0	0	0	113.4	E21	S19-E21 PolarHBondContact O-N 2.82Å
20	D	29	Very low	32.6	Very low	160 Å²	160	135.9 Å²	135.9	86%	0.856	74%	0.741	S	S	*	*	S	Bend	trans	-48.1	121.8	177.5	-62.2	-78.2	0	0	0	113.8
21	E	28.3	Very low	32.3	Very low	175 Å²	175	138.3 Å²	138.3	82%	0.818	75%	0.752	S	S	*	*				178.1	145.7	112.9	-94.1	-167.3	141.9	0	0	111.2	S19	S19-E21 PolarHBondContact O-N 2.82Å
22	S	28.1	Very low	32	Very low	119 Å²	119	140.3 Å²	140.3	83%	0.832	76%	0.761	S	S	*	*			trans	52.8	85.6	162.5	63.4	0	0	0	0	119.1
23	V	30.7	Very low	31.6	Very low	114 Å²	114	138.9 Å²	138.9	69%	0.691	76%	0.761	S	S	*	*			trans	-126.9	96.5	160.3	-166.9	0	0	0	0	112.1	Y25	V23-Y25 HydrophobicContact CG1-CD2 3.39Å; V23-Y25 HydrophobicContact CG1-CE2 3.52Å; V23-Y25 HydrophobicContact CG1-CG 4.14Å; V23-Y25 PolarHBondContact O-N 3.15Å
24	L	26.4	Very low	31.4	Very low	167 Å²	167	138 Å²	138	87%	0.874	76%	0.76	S	S	*	*			trans	-79.2	90.9	168.8	-82.5	162.4	0	0	0	110.1	T26	L24-T26 PolarHBondContact O-N 2.71Å
25	Y	31.7	Very low	31.2	Very low	177 Å²	177	136.4 Å²	136.4	69%	0.694	76%	0.755	S	S	*	*			trans	-79.7	86.8	179.9	-105.7	-59.1	0	0	0	113.6	V23 H27	V23-Y25 HydrophobicContact CG1-CD2 3.39Å; V23-Y25 HydrophobicContact CG1-CE2 3.52Å; V23-Y25 HydrophobicContact CG1-CG 4.14Å; V23-Y25 PolarHBondContact O-N 3.15Å; Y25-H27 AromaticContact CD1-CD2 3.32Å; Y25-H27 WeakPolarHBondContact CD1-CD2 3.4Å; Y25-H27 AromaticContact CD1-NE2 3.62Å; Y25-H27 AromaticContact CE1-CD2 3.61Å; Y25-H27 AromaticContact CE1-NE2 3.37Å; Y25-H27 WeakPolarHBondContact CE1-NE2 3.21Å; Y25-H27 PolarHBondContact O-N 3.12Å
26	T	26.7	Very low	31.4	Very low	123 Å²	123	137.3 Å²	137.3	76%	0.755	75%	0.754	S	S	*	*			trans	-81.9	84.8	167.1	53.2	0	0	0	0	111.2	L24 S28	L24-T26 PolarHBondContact O-N 2.71Å; T26-S28 PolarHBondContact O-N 3.04Å
27	H	32.2	Very low	31.3	Very low	111 Å²	111	135 Å²	135	51%	0.514	75%	0.747	S	S	.	*			trans	-92.9	84.4	175.7	-101.5	-58.9	0	0	0	113.3	Y25 Y29	Y25-H27 AromaticContact CD1-CD2 3.32Å; Y25-H27 WeakPolarHBondContact CD1-CD2 3.4Å; Y25-H27 AromaticContact CD1-NE2 3.62Å; Y25-H27 AromaticContact CE1-CD2 3.61Å; Y25-H27 AromaticContact CE1-NE2 3.37Å; Y25-H27 WeakPolarHBondContact CE1-NE2 3.21Å; Y25-H27 PolarHBondContact O-N 3.12Å; H27-Y29 HydrophobicContact CB-CD2 4.28Å; H27-Y29 HydrophobicContact CB-CE2 4.41Å; H27-Y29 AromaticContact CE1-CE2 3.52Å; H27-Y29 AromaticContact CE1-CZ 3.82Å; H27-Y29 PolarHBondContact CE1-OH 3.21Å; H27-Y29 AromaticContact CG-CE2 3.83Å; H27-Y29 AromaticContact ND1-CD2 3.69Å; H27-Y29 AromaticContact ND1-CE2 3.06Å; H27-Y29 WeakPolarHBondContact ND1-CE2 3.46Å; H27-Y29 AromaticContact ND1-CZ 3.64Å; H27-Y29 PolarHBondContact O-N 3.45Å; H27-Y29 VanDerWaalsContact O-N 3.08Å
28	S	27.4	Very low	31.7	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	74%	0.738	S	S	*	*			trans	-79	75.1	171.5	-62.1	0	0	0	0	112	T26 L30	T26-S28 PolarHBondContact O-N 3.04Å; S28-L30 PolarHBondContact O-N 2.94Å
29	Y	34	Very low	31.8	Very low	189 Å²	189	138.1 Å²	138.1	74%	0.741	73%	0.734	S	S	*	*			trans	-85.5	96.1	169.7	-78.6	-63.3	0	0	0	111.4	H27 I31	H27-Y29 HydrophobicContact CB-CD2 4.28Å; H27-Y29 HydrophobicContact CB-CE2 4.41Å; H27-Y29 AromaticContact CE1-CE2 3.52Å; H27-Y29 AromaticContact CE1-CZ 3.82Å; H27-Y29 PolarHBondContact CE1-OH 3.21Å; H27-Y29 AromaticContact CG-CE2 3.83Å; H27-Y29 AromaticContact ND1-CD2 3.69Å; H27-Y29 AromaticContact ND1-CE2 3.06Å; H27-Y29 WeakPolarHBondContact ND1-CE2 3.46Å; H27-Y29 AromaticContact ND1-CZ 3.64Å; H27-Y29 PolarHBondContact O-N 3.45Å; H27-Y29 VanDerWaalsContact O-N 3.08Å; Y29-I31 PolarHBondContact O-N 3.48Å; Y29-I31 VanDerWaalsContact O-N 3.13Å
30	L	30.9	Very low	32	Very low	170 Å²	170	140.3 Å²	140.3	89%	0.89	74%	0.738	S	S	*	*			trans	-72.7	95.9	169.6	-79.8	163.4	0	0	0	110.3	S28	S28-L30 PolarHBondContact O-N 2.94Å
31	I	33.9	Very low	32.5	Very low	152 Å²	152	138.6 Å²	138.6	78%	0.779	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-66.7	122.7	160.5	-58.7	176.9	0	0	0	107.1	Y29	Y29-I31 PolarHBondContact O-N 3.48Å; Y29-I31 VanDerWaalsContact O-N 3.13Å
32	P	30.9	Very low	32.8	Very low	90 Å²	90	137.2 Å²	137.2	58%	0.584	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-67.5	146.7	178.3	28.3	-34.3	0	0	0	110.7	I34	P32-I34 PolarHBondContact O-N 2.94Å
33	P	31.5	Very low	33.1	Very low	100 Å²	100	141.1 Å²	141.1	65%	0.649	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-62.6	136.1	176.9	26.6	-34	0	0	0	110.7	N35	P33-N35 PolarHBondContact O-N 3.5Å
34	I	36.2	Very low	33.4	Very low	138 Å²	138	141.3 Å²	141.3	71%	0.708	73%	0.73	S	S	*	*	S	Bend	trans	-54.9	-23.8	-169.7	-73.2	170.8	0	0	0	114.1	P32 Q36 L37	P32-I34 PolarHBondContact O-N 2.94Å; I34-Q36 PolarHBondContact O-N 3.01Å; I34-L37 PolarHBondContact O-N 3.35Å; I34-L37 VanDerWaalsContact O-N 3.09Å
35	N	35.3	Very low	33.6	Very low	131 Å²	131	140.6 Å²	140.6	70%	0.701	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	15	-178.6	-52.6	30.7	0	0	0	116.1	P33	P33-N35 PolarHBondContact O-N 3.5Å
36	Q	37	Very low	33.7	Very low	156 Å²	156	139.5 Å²	139.5	73%	0.729	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	-9	171	-70.4	-165	-18.8	0	0	114.3	I34	I34-Q36 PolarHBondContact O-N 3.01Å
37	L	34.5	Very low	34	Very low	127 Å²	127	141 Å²	141	67%	0.665	73%	0.732	S	S	*	*	S	Bend	trans	-93.4	-13.5	-177.2	-149	71.8	0	0	0	114.4	I34 N39 I41	I34-L37 PolarHBondContact O-N 3.35Å; I34-L37 VanDerWaalsContact O-N 3.09Å; L37-N39 VanDerWaalsContact C-N 3.31Å; L37-N39 PolarHBondContact O-N 2.87Å; L37-I41 HydrophobicContact CD2-CD1 4.49Å; L37-I41 HydrophobicContact CG-CD1 4.29Å
38	E	35.7	Very low	34	Very low	146 Å²	146	144 Å²	144	68%	0.682	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-16.6	-174.8	-68.8	-176.7	113.7	0	0	114.9
39	N	37.1	Very low	34.1	Very low	137 Å²	137	145.2 Å²	145.2	73%	0.733	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-21.1	-169.7	-68.3	-68.7	0	0	0	115.2	L37	L37-N39 VanDerWaalsContact C-N 3.31Å; L37-N39 PolarHBondContact O-N 2.87Å
40	D	35.6	Very low	33.9	Very low	153 Å²	153	142.8 Å²	142.8	82%	0.818	75%	0.75	S	S	*	*	S	Bend	trans	-107	-2.5	-169.3	-71	-47.7	0	0	0	114.7
41	I	39	Very low	33.7	Very low	124 Å²	124	140.3 Å²	140.3	64%	0.636	75%	0.746	S	S	*	*	S	Bend	trans	-111.1	-22.5	-170.2	-62.5	179.7	0	0	0	113.8	L37	L37-I41 HydrophobicContact CD2-CD1 4.49Å; L37-I41 HydrophobicContact CG-CD1 4.29Å
42	L	34.7	Very low	33.6	Very low	145 Å²	145	139.3 Å²	139.3	76%	0.759	75%	0.747	S	S	*	*			trans	-109.3	90.1	179.6	-76.5	100.2	0	0	0	114.1
43	K	33.4	Very low	33.6	Very low	202 Å²	202	144 Å²	144	88%	0.878	76%	0.761	S	S	*	*			trans	-96.5	106.7	146.4	-82.3	-173.3	179.6	178.3	0	108.7
44	P	37	Very low	33.5	Very low	118 Å²	118	143.6 Å²	143.6	77%	0.766	76%	0.76	S	S	*	*			trans	-73.3	134.5	173.6	30	-33	0	0	0	110.3
45	D	31.3	Very low	33.2	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	77%	0.767	S	S	*	*			trans	-76.5	150.6	173.5	-147.9	-19.2	0	0	0	111.1	D47	D45-D47 PolarHBondContact O-N 3.38Å
46	Q	34.2	Very low	32.9	Very low	154 Å²	154	150.4 Å²	150.4	72%	0.72	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-4.3	-146.6	-158.6	161	-21.3	0	0	115.8
47	D	32.8	Very low	32.6	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-1	-167.7	-75.4	-33.8	0	0	0	116.6	D45 L49	D45-D47 PolarHBondContact O-N 3.38Å; D47-L49 PolarHBondContact O-N 2.81Å
48	M	31.1	Very low	32.5	Very low	174 Å²	174	147.1 Å²	147.1	86%	0.857	77%	0.771	S	S	*	*			trans	-90.8	15.5	179.9	-85.7	-72.8	-75.4	0	0	115	T50	M48-T50 PolarHBondContact O-N 2.82Å
49	L	29.7	Very low	32.5	Very low	137 Å²	137	142.2 Å²	142.2	72%	0.717	75%	0.753	S	S	*	*			trans	-102.3	47.5	-165.5	-80.8	167.6	0	0	0	115.8	D47	D47-L49 PolarHBondContact O-N 2.81Å
50	T	30.4	Very low	32.3	Very low	137 Å²	137	140.5 Å²	140.5	84%	0.84	75%	0.749	S	S	*	*	S	Bend	trans	-129.5	-13.3	-179.7	51.1	0	0	0	0	117.2	M48	M48-T50 PolarHBondContact O-N 2.82Å
51	C	27.5	Very low	32.2	Very low	119 Å²	119	136.8 Å²	136.8	80%	0.804	74%	0.735	S	S	*	*	S	Bend	trans	-108.1	-8.9	-171.4	-150.8	0	0	0	0	116
52	V	31.6	Very low	32.2	Very low	130 Å²	130	135.1 Å²	135.1	79%	0.788	73%	0.725	S	S	*	*			trans	-121.3	67.6	-169.5	-165.8	0	0	0	0	112
53	Q	29.2	Very low	32.3	Very low	190 Å²	190	133.8 Å²	133.8	89%	0.888	72%	0.715	S	S	*	*			trans	-128.2	20.7	177.2	-68.8	-161.7	0.3	0	0	115.1
54	S	30.7	Very low	32.5	Very low	91 Å²	91	128.3 Å²	128.3	64%	0.636	69%	0.694	S	S	*	*	S	Bend	trans	-119.1	158.4	160.8	51.2	0	0	0	0	110.2
55	N	29.6	Very low	32.6	Very low	158 Å²	158	127.4 Å²	127.4	85%	0.845	68%	0.676	S	S	*	*			trans	62.8	65.5	178.3	-57.8	-6.4	0	0	0	116.6
56	R	28.8	Very low	32.9	Very low	254 Å²	254	124.2 Å²	124.2	96%	0.958	66%	0.659	S	S	*	*			trans	-101.6	95.7	161.8	-79.9	-174.6	169.4	-165.1	-2.3	111.3
57	S	30.9	Very low	32.9	Very low	100 Å²	100	122.7 Å²	122.7	70%	0.699	65%	0.653	S	S	*	*			trans	-159.6	-1.3	170.2	55.5	0	0	0	0	119
58	H	32.1	Very low	33	Very low	113 Å²	113	120.1 Å²	120.1	52%	0.523	64%	0.639	S	S	.	*			trans	-121.6	147.9	-175.5	-68.8	-104.8	0	0	0	112.8	Q62 Q63 D66	H58-Q62 HydrophobicContact CB-CB 4.11Å; H58-Q63 HydrophobicContact CB-CG 4.3Å; H58-D66 IonicContact CE1-OD2 2.87Å; H58-D66 IonicContact ND1-OD2 2.6Å; H58-D66 PolarHBondContact ND1-OD2 3.02Å
59	S	35.2	Very low	33.2	Very low	44 Å²	44	116.3 Å²	116.3	31%	0.308	62%	0.622	S	S	.	*			trans	-87.8	161.8	174.2	74	0	0	0	0	111	S61 Q62 Q63	S59-S61 PolarHBondContact O-N 3.17Å; S59-Q62 WeakPolarHBondContact O-CB 3.41Å; S59-Q62 PolarHBondContact O-N 2.98Å; S59-Q62 PolarHBondContact OG-N 2.87Å; S59-Q62 PolarHBondContact OG-OE1 2.91Å; S59-Q63 PolarHBondContact O-N 3.29Å; S59-Q63 VanDerWaalsContact O-N 3.11Å
60	P	33.4	Very low	33.5	Very low	100 Å²	100	113.8 Å²	113.8	65%	0.649	62%	0.616	S	S	*	*	H	α-helix	trans	-57.2	-35.4	173.6	-25.2	35.2	0	0	0	112.7	I64	P60-I64 WeakPolarHBondContact O-CG1 3.33Å; P60-I64 PolarHBondContact O-N 3.23Å
61	S	33.5	Very low	33.6	Very low	75 Å²	75	112.4 Å²	112.4	52%	0.524	61%	0.608	S	S	.	*	H	α-helix	trans	-64.2	-43.4	173.2	-51.5	0	0	0	0	112	S59 Q63 I64 Y65	S59-S61 PolarHBondContact O-N 3.17Å; S61-Q63 VanDerWaalsContact C-N 3.34Å; S61-Q63 PolarHBondContact O-N 3.49Å; S61-I64 PolarHBondContact O-N 3.22Å; S61-I64 VanDerWaalsContact O-N 3.17Å; S61-Y65 WeakPolarHBondContact O-CD2 3.14Å; S61-Y65 PolarHBondContact O-N 3.08Å; S61-Y65 VanDerWaalsContact O-N 3.09Å
62	Q	39.2	Very low	33.8	Very low	90 Å²	90	113.2 Å²	113.2	42%	0.421	61%	0.609	S	S	.	*	H	α-helix	trans	-60.2	-44.3	178.6	-128.6	72.4	44.1	0	0	111.7	H58 S59 I64 Y65 D66	H58-Q62 HydrophobicContact CB-CB 4.11Å; S59-Q62 WeakPolarHBondContact O-CB 3.41Å; S59-Q62 PolarHBondContact O-N 2.98Å; S59-Q62 PolarHBondContact OG-N 2.87Å; S59-Q62 PolarHBondContact OG-OE1 2.91Å; Q62-I64 PolarHBondContact O-N 3.07Å; Q62-Y65 PolarHBondContact O-N 2.83Å; Q62-Y65 VanDerWaalsContact O-N 3.14Å; Q62-D66 WeakPolarHBondContact O-CB 3.16Å; Q62-D66 PolarHBondContact O-N 3.22Å
63	Q	36.5	Very low	33.7	Very low	117 Å²	117	114.8 Å²	114.8	55%	0.547	61%	0.612	S	S	.	*	H	α-helix	trans	-63.6	-26.6	179.4	-68.6	179.9	-39.7	0	0	112.8	H58 S59 S61 M67	H58-Q63 HydrophobicContact CB-CG 4.3Å; S59-Q63 PolarHBondContact O-N 3.29Å; S59-Q63 VanDerWaalsContact O-N 3.11Å; S61-Q63 VanDerWaalsContact C-N 3.34Å; S61-Q63 PolarHBondContact O-N 3.49Å; Q63-M67 WeakPolarHBondContact O-CB 3.17Å; Q63-M67 WeakPolarHBondContact O-CE 3.4Å; Q63-M67 VanDerWaalsContact O-CG 3.28Å; Q63-M67 WeakPolarHBondContact O-CG 3.3Å; Q63-M67 PolarHBondContact O-N 3.04Å
64	I	38.7	Very low	33.7	Very low	87 Å²	87	111.3 Å²	111.3	45%	0.446	61%	0.608	S	S	.	*	H	α-helix	trans	-76.8	-42.4	173.7	-65.9	167.1	0	0	0	110.8	P60 S61 Q62 M67 L68	P60-I64 WeakPolarHBondContact O-CG1 3.33Å; P60-I64 PolarHBondContact O-N 3.23Å; S61-I64 PolarHBondContact O-N 3.22Å; S61-I64 VanDerWaalsContact O-N 3.17Å; Q62-I64 PolarHBondContact O-N 3.07Å; I64-M67 HydrophobicContact CG1-CE 4.5Å; I64-M67 PolarHBondContact O-N 3.11Å; I64-L68 HydrophobicContact CG2-CD1 4.28Å; I64-L68 WeakPolarHBondContact O-CG 3.23Å; I64-L68 PolarHBondContact O-N 2.77Å
65	Y	38.6	Very low	33.6	Very low	98 Å²	98	114.2 Å²	114.2	38%	0.384	62%	0.617	S	S	.	*	H	α-helix	trans	-60.9	-47.3	172.7	-82.7	-73.7	0	0	0	112	S61 Q62 M67 L68 D69 D510	S61-Y65 WeakPolarHBondContact O-CD2 3.14Å; S61-Y65 PolarHBondContact O-N 3.08Å; S61-Y65 VanDerWaalsContact O-N 3.09Å; Q62-Y65 PolarHBondContact O-N 2.83Å; Q62-Y65 VanDerWaalsContact O-N 3.14Å; Y65-M67 PolarHBondContact O-N 3.45Å; Y65-M67 VanDerWaalsContact O-N 3.16Å; Y65-L68 PolarHBondContact O-N 3.05Å; Y65-L68 VanDerWaalsContact O-N 3.09Å; Y65-D69 PolarHBondContact O-N 2.93Å; Y65-D510 PolarHBondContact OH-OD1 2.85Å
66	D	37.3	Very low	33.6	Very low	86 Å²	86	114.2 Å²	114.2	46%	0.46	62%	0.617	S	S	.	*	H	α-helix	trans	-64.8	-19	179.6	-62	-32.7	0	0	0	112.6	H58 Q62 S70	H58-D66 IonicContact CE1-OD2 2.87Å; H58-D66 IonicContact ND1-OD2 2.6Å; H58-D66 PolarHBondContact ND1-OD2 3.02Å; Q62-D66 WeakPolarHBondContact O-CB 3.16Å; Q62-D66 PolarHBondContact O-N 3.22Å; D66-S70 WeakPolarHBondContact O-CB 3.07Å; D66-S70 PolarHBondContact O-OG 3.29Å
67	M	35.1	Very low	33.9	Very low	121 Å²	121	107.3 Å²	107.3	60%	0.596	61%	0.605	S	S	*	*	H	α-helix	trans	-90.1	-19.1	173.9	-79.1	-168.8	-58.9	0	0	114.6	Q63 I64 Y65 S70	Q63-M67 WeakPolarHBondContact O-CB 3.17Å; Q63-M67 WeakPolarHBondContact O-CE 3.4Å; Q63-M67 VanDerWaalsContact O-CG 3.28Å; Q63-M67 WeakPolarHBondContact O-CG 3.3Å; Q63-M67 PolarHBondContact O-N 3.04Å; I64-M67 HydrophobicContact CG1-CE 4.5Å; I64-M67 PolarHBondContact O-N 3.11Å; Y65-M67 PolarHBondContact O-N 3.45Å; Y65-M67 VanDerWaalsContact O-N 3.16Å; M67-S70 WeakPolarHBondContact CA-OG 3.25Å
68	L	34.8	Very low	33.8	Very low	101 Å²	101	110.8 Å²	110.8	53%	0.529	61%	0.614	S	S	.	*	H	α-helix	trans	-79.8	-43.3	177.9	-73.6	165	0	0	0	111.2	I64 Y65 S70	I64-L68 HydrophobicContact CG2-CD1 4.28Å; I64-L68 WeakPolarHBondContact O-CG 3.23Å; I64-L68 PolarHBondContact O-N 2.77Å; Y65-L68 PolarHBondContact O-N 3.05Å; Y65-L68 VanDerWaalsContact O-N 3.09Å; L68-S70 VanDerWaalsContact C-N 3.27Å; L68-S70 PolarHBondContact O-N 3.48Å
69	D	35.3	Very low	33.5	Very low	94 Å²	94	113.7 Å²	113.7	50%	0.503	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-1.5	-176.2	-149.2	22.1	0	0	0	113.4	Y65 P742 F743	Y65-D69 PolarHBondContact O-N 2.93Å; D69-P742 WeakPolarHBondContact OD1-CB 3.27Å; D69-F743 PolarHBondContact OD1-N 2.7Å
70	S	34.8	Very low	33.1	Very low	84 Å²	84	117.4 Å²	117.4	59%	0.587	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	12.9	-172.2	55.2	0	0	0	0	115.9	D66 M67 L68	D66-S70 WeakPolarHBondContact O-CB 3.07Å; D66-S70 PolarHBondContact O-OG 3.29Å; M67-S70 WeakPolarHBondContact CA-OG 3.25Å; L68-S70 VanDerWaalsContact C-N 3.27Å; L68-S70 PolarHBondContact O-N 3.48Å
71	T	33.7	Very low	33	Very low	109 Å²	109	120 Å²	120	67%	0.669	66%	0.656	S	S	*	*	S	Bend	trans	-116.3	140.3	166.1	52.3	0	0	0	0	112.1
72	V	30.1	Very low	32.7	Very low	135 Å²	135	120.3 Å²	120.3	82%	0.818	66%	0.663	S	S	*	*			trans	77.4	65.5	-176.7	-162.1	0	0	0	0	115.6
73	L	29.2	Very low	32	Very low	163 Å²	163	123.7 Å²	123.7	85%	0.853	68%	0.683	S	S	*	*			trans	-138.3	73	156.8	-82.4	-177.3	0	0	0	113
74	S	30.4	Very low	31.8	Very low	117 Å²	117	123.4 Å²	123.4	82%	0.818	70%	0.695	S	S	*	*			trans	176.6	118.5	141	33.1	0	0	0	0	111.9
75	D	27.4	Very low	31.3	Very low	152 Å²	152	124.5 Å²	124.5	81%	0.813	71%	0.71	S	S	*	*			trans	-149.4	119.2	167.2	-111.1	-39.9	0	0	0	108.4
76	N	31.2	Very low	30.7	Very low	159 Å²	159	125 Å²	125	85%	0.85	73%	0.726	S	S	*	*			trans	175.1	154.4	134.3	-100.2	-83	0	0	0	111.2
77	P	34.7	Very low	30.3	Very low	109 Å²	109	130 Å²	130	71%	0.708	74%	0.744	S	S	*	*			trans	-106.5	171	-157.4	40.6	-37	0	0	0	115.1
78	I	28.8	Very low	30.1	Very low	173 Å²	173	128.7 Å²	128.7	89%	0.887	75%	0.747	S	S	*	*			trans	-156.7	153.7	148.5	-107.7	154	0	0	0	110.3
79	Q	25.8	Very low	29.9	Very low	173 Å²	173	131.6 Å²	131.6	81%	0.808	76%	0.758	S	S	*	*			trans	-78.6	164.8	-177.1	-61.2	165.3	-24.8	0	0	113.3
80	T	27.2	Very low	29.5	Very low	123 Å²	123	133.2 Å²	133.2	76%	0.755	77%	0.771	S	S	*	*				142.9	151.4	125.4	-49.4	0	0	0	0	112.8
81	I	30.4	Very low	29.2	Very low	155 Å²	155	134.8 Å²	134.8	80%	0.795	78%	0.782	S	S	*	*			trans	69.1	106.6	175.1	-38.1	-177.4	0	0	0	114.3
82	A	27.6	Very low	28.9	Very low	81 Å²	81	136.3 Å²	136.3	67%	0.669	79%	0.785	S	S	*	*			cis	101.6	117	24.1	0	0	0	0	0	116.2
83	N	25.1	Very low	28.9	Very low	160 Å²	160	138.5 Å²	138.5	86%	0.856	78%	0.784	S	S	*	*			trans	65.5	99	149.4	-60	-15	0	0	0	123
84	S	30.9	Very low	28.7	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	78%	0.778	S	S	*	*				176.3	118.6	120.9	55.8	0	0	0	0	110.3
85	S	28.1	Very low	28.7	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	78%	0.776	S	S	*	*				65.2	129	78.3	-151.9	0	0	0	0	113.2
86	C	26.4	Very low	28.6	Very low	109 Å²	109	133.1 Å²	133.1	74%	0.736	77%	0.772	S	S	*	*			cis	-135.4	153.6	23.5	-79.2	0	0	0	0	111.5
87	K	28.9	Very low	28.5	Very low	192 Å²	192	130.6 Å²	130.6	84%	0.835	77%	0.765	S	S	*	*				56.4	136.2	71.8	-72	-172.1	179.6	-178.6	0	114.7
88	S	31.3	Very low	28.3	Very low	93 Å²	93	132.1 Å²	132.1	65%	0.65	77%	0.768	S	S	*	*			cis	-138	-148.2	10.2	-59.1	0	0	0	0	110.2
89	Q	30.8	Very low	28.3	Very low	162 Å²	162	129.7 Å²	129.7	76%	0.757	76%	0.761	S	S	*	*			cis	-164.9	116.6	-4.7	-138	145.5	-60.7	0	0	106.2
90	T	26.8	Very low	28.6	Very low	127 Å²	127	126.1 Å²	126.1	78%	0.779	76%	0.755	S	S	*	*				60.7	116.3	75.2	68.5	0	0	0	0	118.3
91	S	29.4	Very low	28.6	Very low	117 Å²	117	127.7 Å²	127.7	82%	0.818	76%	0.759	S	S	*	*			trans	152.1	147.4	147.5	177.7	0	0	0	0	112.7
92	L	26.4	Very low	28.8	Very low	141 Å²	141	124.6 Å²	124.6	74%	0.738	76%	0.756	S	S	*	*			cis	179.7	151.1	-39.9	-113.7	167.5	0	0	0	110.5
93	K	29.2	Very low	28.9	Very low	182 Å²	182	127.2 Å²	127.2	79%	0.791	76%	0.759	S	S	*	*			trans	72	147.4	164.8	-59.4	167.9	-177.7	179.9	0	118.5
94	S	25.2	Very low	29	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	76%	0.758	S	S	*	*			cis	117.9	102.2	-7.1	78.6	0	0	0	0	118
95	S	30.2	Very low	28.9	Very low	110 Å²	110	125.3 Å²	125.3	77%	0.769	76%	0.756	S	S	*	*			trans	178	124.9	158.3	49.7	0	0	0	0	108
96	S	26.8	Very low	29	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	76%	0.759	S	S	*	*			cis	102.2	148.3	36.4	70	0	0	0	0	113.1
97	C	29.3	Very low	28.9	Very low	105 Å²	105	128.6 Å²	128.6	71%	0.709	76%	0.763	S	S	*	*			trans	77.6	141.7	176.9	-59.9	0	0	0	0	116.9
98	D	29.9	Very low	29	Very low	142 Å²	142	126.5 Å²	126.5	76%	0.759	76%	0.759	S	S	*	*			cis	-158.5	171.5	-11.4	-103.6	-27.5	0	0	0	113.5
99	T	28.4	Very low	28.6	Very low	122 Å²	122	130.3 Å²	130.3	75%	0.748	76%	0.764	S	S	*	*			trans	-42.1	159.2	177.4	58.3	0	0	0	0	117.3
100	S	33.3	Very low	28.5	Very low	98 Å²	98	127.7 Å²	127.7	69%	0.685	76%	0.761	S	S	*	*				-174.9	155.5	57.7	56.4	0	0	0	0	117.4
101	N	27.4	Very low	28.3	Very low	156 Å²	156	126.8 Å²	126.8	83%	0.834	76%	0.76	S	S	*	*			trans	30.1	142	136.8	-57.7	2.1	0	0	0	121.3
102	A	32.6	Very low	28.2	Very low	89 Å²	89	130.7 Å²	130.7	74%	0.736	76%	0.762	S	S	*	*			cis	-165.6	-156	-3.4	0	0	0	0	0	107.6
103	D	30.5	Very low	28.2	Very low	137 Å²	137	131.9 Å²	131.9	73%	0.733	77%	0.766	S	S	*	*			cis	-166.4	173	10.3	-152.7	-5.4	0	0	0	112.4
104	L	27.7	Very low	28	Very low	158 Å²	158	131.9 Å²	131.9	83%	0.827	76%	0.763	S	S	*	*			trans	44.1	123.5	156.5	-74.2	161.3	0	0	0	121.9
105	G	28.8	Very low	28.1	Very low	73 Å²	73	134.1 Å²	134.1	75%	0.753	77%	0.766	S	S	*	*			trans	-145.3	-19.9	-179.5	0	0	0	0	0	121.6
106	V	30.2	Very low	27.9	Very low	135 Å²	135	135.2 Å²	135.2	82%	0.818	76%	0.764	S	S	*	*			trans	65.7	126.7	179.8	-175	0	0	0	0	116.9	I108	V106-I108 HydrophobicContact CG1-CG1 4.21Å
107	D	24.6	Very low	28	Very low	153 Å²	153	137.1 Å²	137.1	82%	0.818	77%	0.766	S	S	*	*			trans	-117	142.3	176.6	-160.2	-14.4	0	0	0	110.8
108	I	30.5	Very low	27.9	Very low	148 Å²	148	137.7 Å²	137.7	76%	0.759	77%	0.768	S	S	*	*			trans	-139.1	110.7	-178.4	-58.7	-177.6	0	0	0	110.8	V106	V106-I108 HydrophobicContact CG1-CG1 4.21Å
109	K	22.6	Very low	28	Very low	172 Å²	172	139.5 Å²	139.5	75%	0.748	77%	0.772	S	S	*	*			trans	-111.1	114.9	-173.6	-166.7	169	-167.1	158.4	0	111.9
110	P	28.8	Very low	27.8	Very low	107 Å²	107	139.9 Å²	139.9	70%	0.695	77%	0.774	S	S	*	*			trans	-100.1	100.5	172.5	31.9	-23.9	0	0	0	111.6
111	S	22.6	Very low	27.6	Very low	108 Å²	108	143 Å²	143	76%	0.755	78%	0.781	S	S	*	*			trans	-68.5	135	168.4	-59.9	0	0	0	0	111.2
112	F	27.6	Very low	27.4	Very low	199 Å²	199	140 Å²	140	87%	0.873	77%	0.772	S	S	*	*			trans	-128	119.6	164.6	-97	-84.9	0	0	0	111.2
113	M	25.9	Very low	27.2	Very low	167 Å²	167	144.7 Å²	144.7	82%	0.823	78%	0.779	S	S	*	*			trans	-74.5	136.3	174	-66	174.2	63.9	0	0	110.3
114	Y	25.4	Very low	27	Very low	181 Å²	181	142.9 Å²	142.9	71%	0.71	78%	0.777	S	S	*	*			trans	-80.3	143.2	154	-113.4	-113	0	0	0	108.7
115	N	28	Very low	27	Very low	151 Å²	151	145 Å²	145	81%	0.807	78%	0.78	S	S	*	*			trans	-143.5	102.7	173.8	-158.8	31.1	0	0	0	108.1
116	D	25.7	Very low	26.7	Very low	134 Å²	134	149.3 Å²	149.3	72%	0.717	79%	0.785	S	S	*	*			trans	-71.6	139.4	-176	-69	-60.9	0	0	0	111.8
117	N	27.4	Very low	26.7	Very low	144 Å²	144	148.6 Å²	148.6	77%	0.77	78%	0.781	S	S	*	*			trans	-155.3	97.7	159.6	-143.5	-22.1	0	0	0	111.4
118	P	27.8	Very low	26.7	Very low	118 Å²	118	148.3 Å²	148.3	77%	0.766	78%	0.78	S	S	*	*			trans	-85.7	115.7	179.5	32.1	-31	0	0	0	110.9
119	Q	31.9	Very low	26.7	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	79%	0.788	S	S	*	*			trans	-124.1	124.7	160.9	-73	-149.8	-4	0	0	113.1
120	V	25.1	Very low	27	Very low	130 Å²	130	149.3 Å²	149.3	79%	0.788	79%	0.788	S	S	*	*			trans	-61.7	135.2	168.1	174.6	0	0	0	0	109.8
121	I	27.5	Very low	27	Very low	163 Å²	163	150.4 Å²	150.4	84%	0.836	79%	0.788	S	S	*	*			trans	-150.4	130.3	136.7	-99	144.6	0	0	0	107.6
122	S	23.3	Very low	27.5	Very low	93 Å²	93	153.7 Å²	153.7	65%	0.65	79%	0.791	S	S	*	*			trans	-99.1	134.4	169.9	52	0	0	0	0	109.3
123	Q	29.8	Very low	27.5	Very low	188 Å²	188	149.6 Å²	149.6	88%	0.879	78%	0.783	S	S	*	*				-174.5	154	127.6	-101.9	162.1	9	0	0	112.7
124	S	26.1	Very low	27.7	Very low	99 Å²	99	148.6 Å²	148.6	69%	0.692	78%	0.781	S	S	*	*			trans	-60.6	147.2	173.9	50.4	0	0	0	0	113.6
125	F	27.1	Very low	27.7	Very low	204 Å²	204	147 Å²	147	90%	0.895	78%	0.783	S	S	*	*				-157.8	132.8	124	-110	-73.1	0	0	0	111.3
126	L	23.7	Very low	27.9	Very low	163 Å²	163	148 Å²	148	85%	0.853	78%	0.782	S	S	*	*			trans	-100	132.1	163.2	-82.6	167.9	0	0	0	108
127	T	28.5	Very low	27.9	Very low	120 Å²	120	147.3 Å²	147.3	74%	0.736	78%	0.783	S	S	*	*			trans	-175.9	125.5	131.2	27.6	0	0	0	0	110.6
128	D	25.8	Very low	28	Very low	147 Å²	147	146.6 Å²	146.6	79%	0.786	78%	0.784	S	S	*	*			trans	33.5	125.2	134.7	-45.6	-23.8	0	0	0	120.8
129	L	30	Very low	27.9	Very low	179 Å²	179	146.5 Å²	146.5	94%	0.937	79%	0.786	S	S	*	*				-140	131	128.9	-149.2	73.5	0	0	0	110.2
130	H	29	Very low	27.7	Very low	162 Å²	162	142.5 Å²	142.5	75%	0.75	78%	0.778	S	S	*	*			trans	-111	163	-178.1	-141.6	76.8	0	0	0	109.9
131	N	29.3	Very low	28	Very low	130 Å²	130	143.9 Å²	143.9	70%	0.695	78%	0.781	S	S	*	*			trans	67	123.9	178	-50.3	-36.7	0	0	0	114.4
132	H	33.2	Very low	28.1	Very low	176 Å²	176	142.4 Å²	142.4	82%	0.815	78%	0.779	S	S	*	*				-143.8	137.7	61.2	-114.3	-96	0	0	0	114.2
133	T	27.3	Very low	28.4	Very low	114 Å²	114	145.2 Å²	145.2	70%	0.699	79%	0.787	S	S	*	*			trans	-77.9	142.7	157.2	50	0	0	0	0	110.2
134	D	29.7	Very low	28.4	Very low	146 Å²	146	141 Å²	141	78%	0.781	78%	0.776	S	S	*	*			trans	-151.1	132.8	139.4	-101.1	-41.8	0	0	0	110.2
135	I	25.7	Very low	28.7	Very low	146 Å²	146	143.9 Å²	143.9	75%	0.749	78%	0.784	S	S	*	*			trans	-107.3	114.5	179.6	-64.5	174.1	0	0	0	108	T137	I135-T137 HydrophobicContact CG2-CG2 4.4Å
136	H	32.3	Very low	28.7	Very low	173 Å²	173	141.8 Å²	141.8	80%	0.801	78%	0.781	S	S	*	*			trans	-119.5	92.4	167.1	-101.2	-74.7	0	0	0	111.1	V138	H136-V138 PolarHBondContact O-N 3.04Å
137	T	24.7	Very low	28.8	Very low	119 Å²	119	139.6 Å²	139.6	73%	0.73	78%	0.778	S	S	*	*			trans	-64.6	126	163.5	45.5	0	0	0	0	110.5	I135	I135-T137 HydrophobicContact CG2-CG2 4.4Å
138	V	30.9	Very low	29.1	Very low	129 Å²	129	139.2 Å²	139.2	78%	0.782	78%	0.778	S	S	*	*			trans	-130.8	123.7	161.8	-179.9	0	0	0	0	107.8	H136	H136-V138 PolarHBondContact O-N 3.04Å
139	S	24.8	Very low	29.2	Very low	117 Å²	117	140 Å²	140	82%	0.818	78%	0.78	S	S	*	*			trans	-109.6	108.7	-171.6	-54.8	0	0	0	0	112
140	S	27.7	Very low	28.9	Very low	95 Å²	95	135 Å²	135	66%	0.664	76%	0.764	S	S	*	*			trans	174.1	132.2	163.2	48.4	0	0	0	0	106.8
141	D	31.7	Very low	28.8	Very low	159 Å²	159	134.9 Å²	134.9	85%	0.85	77%	0.77	S	S	*	*			cis	-137.4	159.1	32.1	-83.4	-49.3	0	0	0	114.9
142	T	28.7	Very low	28.7	Very low	131 Å²	131	133.7 Å²	133.7	80%	0.804	77%	0.771	S	S	*	*			trans	-80.3	136.2	168.7	51.3	0	0	0	0	111.9
143	N	30.4	Very low	28.7	Very low	153 Å²	153	132.2 Å²	132.2	82%	0.818	77%	0.768	S	S	*	*			trans	-137.9	103.2	156.6	-159.5	-8.2	0	0	0	110.5
144	P	29.2	Very low	28.9	Very low	99 Å²	99	133.9 Å²	133.9	64%	0.643	77%	0.773	S	S	*	*			trans	-91.5	135.7	-175.6	34.3	-32	0	0	0	112.2
145	N	33.4	Very low	28.8	Very low	159 Å²	159	131 Å²	131	85%	0.85	76%	0.764	S	S	*	*			trans	-158	103.4	157.1	-94.4	-51.4	0	0	0	111
146	L	26.5	Very low	29	Very low	160 Å²	160	130 Å²	130	84%	0.838	77%	0.765	S	S	*	*			trans	-105.6	124.3	165.1	-92.7	78.6	0	0	0	109.2
147	C	26.8	Very low	28.9	Very low	118 Å²	118	130.1 Å²	130.1	80%	0.797	77%	0.765	S	S	*	*			trans	57	-178.7	148.2	-65.8	0	0	0	0	118.1
148	P	34	Very low	29.3	Very low	112 Å²	112	132 Å²	132	73%	0.727	77%	0.77	S	S	*	*			cis	-116.8	-165.1	-37.3	27.3	-7.5	0	0	0	110.1
149	I	27.8	Very low	29	Very low	163 Å²	163	134.7 Å²	134.7	84%	0.836	77%	0.774	S	S	*	*			trans	150.3	147.1	135.4	-77.4	158	0	0	0	110.3
150	A	24.3	Very low	29.2	Very low	73 Å²	73	138.2 Å²	138.2	60%	0.603	78%	0.778	S	S	*	*			trans	-110.1	172.4	-177.2	0	0	0	0	0	112.7
151	N	26.3	Very low	29.3	Very low	161 Å²	161	141.9 Å²	141.9	86%	0.861	79%	0.789	S	S	*	*			trans	75	136.7	173.1	-47.3	-30.3	0	0	0	114.2
152	S	28.5	Very low	29.1	Very low	105 Å²	105	140.9 Å²	140.9	73%	0.734	79%	0.788	S	S	*	*				-171.1	175.4	68.1	-168.9	0	0	0	0	112.4
153	I	32.4	Very low	29.1	Very low	145 Å²	145	145 Å²	145	74%	0.744	79%	0.79	S	S	*	*			trans	71.3	126.8	167.4	-50	176.4	0	0	0	114.6
154	N	30.5	Very low	29.1	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	79%	0.788	S	S	*	*			cis	-167.7	166.8	-12.8	-103	-3.8	0	0	0	107.2
155	S	29.1	Very low	29.2	Very low	84 Å²	84	145.8 Å²	145.8	59%	0.587	79%	0.794	S	S	*	*			cis	-174.8	152.8	-21.8	170.2	0	0	0	0	110.3
156	T	29.1	Very low	29.1	Very low	127 Å²	127	144.1 Å²	144.1	78%	0.779	79%	0.792	S	S	*	*			trans	68.7	146	154.7	34.3	0	0	0	0	122.4
157	H	29.8	Very low	29.3	Very low	174 Å²	174	145.2 Å²	145.2	81%	0.806	79%	0.793	S	S	*	*			trans	68.7	95.8	165.9	-107.9	-90	0	0	0	117.2
158	L	33.6	Very low	29.6	Very low	160 Å²	160	148.1 Å²	148.1	84%	0.838	79%	0.792	S	S	*	*				-155.3	157.3	53.9	-91.1	167.1	0	0	0	112.2
159	Q	25.5	Very low	29.5	Very low	185 Å²	185	151.4 Å²	151.4	86%	0.864	80%	0.795	S	S	*	*			trans	-152.2	104.1	-174.5	178.8	-177.4	13.1	0	0	111
160	E	28.6	Very low	29.7	Very low	191 Å²	191	148.4 Å²	148.4	89%	0.893	79%	0.786	S	S	*	*			trans	-167.6	163.4	156.8	-120.7	170.6	-164.3	0	0	113
161	L	28.6	Very low	30	Very low	171 Å²	171	152.9 Å²	152.9	90%	0.895	79%	0.794	S	S	*	*			trans	81.7	68.3	177.6	-58.5	175.4	0	0	0	118.7
162	V	27.1	Very low	30.1	Very low	138 Å²	138	153.4 Å²	153.4	84%	0.836	79%	0.793	S	S	*	*			trans	-113.4	117.8	146.1	172.1	0	0	0	0	108.1
163	Y	28.7	Very low	30.2	Very low	217 Å²	217	155.5 Å²	155.5	85%	0.851	80%	0.796	S	S	*	*			trans	-166.5	151.3	157.2	-112.3	-70.3	0	0	0	113.2
164	N	30.7	Very low	30.2	Very low	144 Å²	144	154 Å²	154	77%	0.77	80%	0.796	S	S	*	*			trans	73.8	87.7	163.2	-57.3	-35.7	0	0	0	119.7
165	T	32	Very low	30.3	Very low	125 Å²	125	152 Å²	152	77%	0.767	79%	0.79	S	S	*	*			trans	-73.4	170.5	141.9	-24.9	0	0	0	0	110.5
166	P	30.7	Very low	30.3	Very low	124 Å²	124	154.7 Å²	154.7	81%	0.805	80%	0.798	S	S	*	*			trans	-135.6	143	130.1	36.2	-25.9	0	0	0	114.7
167	Q	32	Very low	30.5	Very low	183 Å²	183	153.7 Å²	153.7	86%	0.855	80%	0.803	S	S	*	*			trans	-94.2	153.2	170.2	-71.8	-175.8	-19	0	0	112.5
168	K	32.8	Very low	30.5	Very low	180 Å²	180	153.2 Å²	153.2	78%	0.783	80%	0.8	S	S	*	*			trans	-176.5	141.6	157.3	-104.7	159.4	-177.2	175.3	0	108.3
169	F	31	Very low	30.5	Very low	181 Å²	181	154.9 Å²	154.9	79%	0.794	80%	0.804	S	S	*	*			cis	-136.4	157.5	3.2	-89.4	-86.5	0	0	0	111.1
170	P	32.7	Very low	30.6	Very low	100 Å²	100	153.6 Å²	153.6	65%	0.649	80%	0.798	S	S	*	*			trans	-106.5	177.7	174.9	39.3	-32.8	0	0	0	115.1
171	H	29.6	Very low	30.7	Very low	167 Å²	167	151.1 Å²	151.1	77%	0.773	80%	0.796	S	S	*	*			trans	73	118.3	170.2	-62.4	-73.3	0	0	0	119.6
172	M	29	Very low	30.8	Very low	171 Å²	171	148.5 Å²	148.5	84%	0.842	79%	0.787	S	S	*	*				-172.3	140.8	104	-97.3	-71	109.2	0	0	110.9
173	L	31	Very low	31	Very low	150 Å²	150	152.2 Å²	152.2	79%	0.785	79%	0.787	S	S	*	*			trans	-151.8	128.1	-178.7	-150.2	170.3	0	0	0	108.4
174	P	32.2	Very low	30.9	Very low	114 Å²	114	146.3 Å²	146.3	74%	0.74	78%	0.778	S	S	*	*			trans	-121.3	152.8	157.8	6.3	16	0	0	0	112.6
175	P	33.6	Very low	31	Very low	105 Å²	105	146 Å²	146	68%	0.682	78%	0.776	S	S	*	*			trans	-99.4	178.1	-171.8	40.9	-38.2	0	0	0	114.7
176	D	28.1	Very low	30.8	Very low	142 Å²	142	148.1 Å²	148.1	76%	0.759	78%	0.782	S	S	*	*			trans	54.3	110.1	152.9	-58.2	-28.8	0	0	0	120.9
177	A	33.3	Very low	30.8	Very low	105 Å²	105	148.4 Å²	148.4	87%	0.868	78%	0.782	S	S	*	*			trans	-145.7	87.9	151.4	0	0	0	0	0	110.8
178	H	28.9	Very low	30.6	Very low	164 Å²	164	146.7 Å²	146.7	76%	0.759	78%	0.784	S	S	*	*			trans	-64.6	131.7	167.3	-81	-94.4	0	0	0	110.8
179	Q	33.8	Very low	30.5	Very low	196 Å²	196	143 Å²	143	92%	0.916	78%	0.781	S	S	*	*			trans	-160.2	142.3	131.3	-110.8	159.5	27.5	0	0	113.1
180	H	27.6	Very low	30.4	Very low	158 Å²	158	142.5 Å²	142.5	73%	0.731	78%	0.78	S	S	*	*			trans	-81.2	150.9	-173.5	-65.3	-121.6	0	0	0	112.2
181	T	30.9	Very low	30.6	Very low	139 Å²	139	143.6 Å²	143.6	85%	0.853	79%	0.788	S	S	*	*				161.2	145.1	127	36.7	0	0	0	0	111.2
182	V	30.8	Very low	30.7	Very low	116 Å²	116	143.5 Å²	143.5	70%	0.703	79%	0.785	S	S	*	*			cis	-162.2	159.1	-23.5	104.7	0	0	0	0	109.9
183	Y	31.6	Very low	30.6	Very low	216 Å²	216	141.9 Å²	141.9	85%	0.847	79%	0.785	S	S	*	*			trans	69.1	123.2	175.8	-79.8	-59.7	0	0	0	120.7
184	S	26.9	Very low	30.5	Very low	93 Å²	93	143.7 Å²	143.7	65%	0.65	78%	0.782	S	S	*	*			trans	-89.7	173.5	164.6	51	0	0	0	0	110.4
185	D	32.6	Very low	30.3	Very low	136 Å²	136	145.1 Å²	145.1	73%	0.727	78%	0.782	S	S	*	*				-161	139.8	79.4	-81.8	-18.1	0	0	0	113
186	N	27.1	Very low	30.1	Very low	170 Å²	170	148.8 Å²	148.8	91%	0.909	80%	0.795	S	S	*	*			trans	-91.2	127.6	167.7	-73.3	-31.6	0	0	0	109.6
187	V	31	Very low	30.1	Very low	130 Å²	130	146.1 Å²	146.1	79%	0.788	79%	0.793	S	S	*	*			trans	-133.1	88.6	164.5	-175.8	0	0	0	0	109.2
188	V	27.7	Very low	29.9	Very low	148 Å²	148	147.4 Å²	147.4	90%	0.897	80%	0.795	S	S	*	*			trans	-102.9	109.2	154.1	177.1	0	0	0	0	105
189	S	31.7	Very low	30	Very low	103 Å²	103	142.9 Å²	142.9	72%	0.72	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-86.4	124	-169.2	54	0	0	0	0	112.6
190	E	28.7	Very low	29.8	Very low	169 Å²	169	140.8 Å²	140.8	79%	0.79	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-64.5	152.8	171.4	-56.7	176.5	123.9	0	0	112.7
191	P	37.3	Very low	29.9	Very low	123 Å²	123	137.6 Å²	137.6	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.5	125	155.9	31.9	-30.4	0	0	0	110.1	T193	P191-T193 PolarHBondContact O-N 3.26Å
192	F	30.6	Very low	30	Very low	165 Å²	165	137.5 Å²	137.5	72%	0.724	78%	0.778	S	S	*	*			trans	-88.7	100.3	-165.7	-164.8	-95.5	0	0	0	113.4	R194	F192-R194 HydrophobicContact CD1-CB 4.26Å; F192-R194 HydrophobicContact CD1-CG 4.29Å; F192-R194 HydrophobicContact CE1-CB 3.99Å; F192-R194 HydrophobicContact CE1-CG 3.75Å; F192-R194 HydrophobicContact CZ-CG 4.38Å; F192-R194 PolarHBondContact O-N 2.75Å
193	T	26.7	Very low	29.9	Very low	138 Å²	138	139.8 Å²	139.8	85%	0.847	78%	0.781	S	S	*	*			trans	-77.5	100.6	175.9	-56.7	0	0	0	0	112	P191	P191-T193 PolarHBondContact O-N 3.26Å
194	R	30.5	Very low	29.9	Very low	188 Å²	188	135.8 Å²	135.8	71%	0.709	78%	0.779	S	S	*	*			trans	-147.1	128.9	162.4	-78.8	-156.9	174.7	-158.6	-3.5	115	F192	F192-R194 HydrophobicContact CD1-CB 4.26Å; F192-R194 HydrophobicContact CD1-CG 4.29Å; F192-R194 HydrophobicContact CE1-CB 3.99Å; F192-R194 HydrophobicContact CE1-CG 3.75Å; F192-R194 HydrophobicContact CZ-CG 4.38Å; F192-R194 PolarHBondContact O-N 2.75Å
195	L	26.6	Very low	29.9	Very low	144 Å²	144	136.3 Å²	136.3	75%	0.754	78%	0.783	S	S	*	*			trans	51.7	105.6	140.3	-60.6	168.2	0	0	0	118.7
196	L	30.2	Very low	29.9	Very low	182 Å²	182	136.6 Å²	136.6	95%	0.953	79%	0.79	S	S	*	*				-146.6	134.9	112.6	-85.2	-168.5	0	0	0	110
197	A	27.2	Very low	29.9	Very low	85 Å²	85	132.8 Å²	132.8	70%	0.702	78%	0.777	S	S	*	*			trans	-141	153.6	171.4	0	0	0	0	0	109.1
198	S	29.8	Very low	29.9	Very low	132 Å²	132	137.4 Å²	137.4	92%	0.923	78%	0.782	S	S	*	*			trans	65.1	147.1	-174.9	76.8	0	0	0	0	115.7
199	G	30.6	Very low	30	Very low	70 Å²	70	138.1 Å²	138.1	72%	0.722	78%	0.779	S	S	*	*			trans	152.8	23.3	171.4	0	0	0	0	0	121.3
200	N	30.5	Very low	30.1	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	78%	0.78	S	S	*	*			trans	43.3	109.6	155.6	-73.4	17.8	0	0	0	121.2
201	S	29.3	Very low	30.3	Very low	91 Å²	91	140.1 Å²	140.1	64%	0.636	79%	0.787	S	S	*	*				48.9	113.7	122.8	71.3	0	0	0	0	120.7
202	N	32.2	Very low	29.8	Very low	138 Å²	138	140.6 Å²	140.6	74%	0.738	79%	0.788	S	S	*	*				-175.9	146.9	96.5	-91.5	-12.3	0	0	0	114.1
203	E	29.1	Very low	29.8	Very low	164 Å²	164	139.3 Å²	139.3	77%	0.766	79%	0.794	S	S	*	*			trans	6.7	143.8	140.4	-49.5	179.8	154.6	0	0	118
204	T	32.1	Very low	29.8	Very low	131 Å²	131	140.6 Å²	140.6	80%	0.804	79%	0.787	S	S	*	*			cis	-159.5	154.1	45.7	-41.4	0	0	0	0	113
205	S	26.6	Very low	29.8	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	79%	0.793	S	S	*	*			trans	-63.9	153.6	178.3	-38.9	0	0	0	0	115.8
206	T	32.1	Very low	29.8	Very low	142 Å²	142	138.1 Å²	138.1	87%	0.871	79%	0.789	S	S	*	*				-158.5	147.5	120.7	8.3	0	0	0	0	111.3
207	S	27.3	Very low	30	Very low	90 Å²	90	135.5 Å²	135.5	63%	0.629	78%	0.781	S	S	*	*			trans	-100.1	171.9	178.9	52.5	0	0	0	0	111.4
208	Y	31.9	Very low	30.2	Very low	226 Å²	226	138.6 Å²	138.6	89%	0.886	79%	0.786	S	S	*	*				-170	150.8	126.5	-94.4	-61.3	0	0	0	111
209	L	28.9	Very low	30	Very low	163 Å²	163	137.4 Å²	137.4	85%	0.853	78%	0.778	S	S	*	*			trans	-94.4	165.8	-175.8	-101.7	91.5	0	0	0	113.4
210	P	33.2	Very low	30	Very low	114 Å²	114	142.3 Å²	142.3	74%	0.74	79%	0.786	S	S	*	*			trans	-89	173.1	-170.8	37	-37.6	0	0	0	114.3
211	Q	33	Very low	29.8	Very low	200 Å²	200	141.3 Å²	141.3	94%	0.935	79%	0.786	S	S	*	*			trans	-126.1	152.1	164.2	-80.1	-166.8	-16.6	0	0	112.4
212	V	26.7	Very low	30	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	79%	0.791	S	S	*	*			trans	-106.6	138.4	-177.2	173.9	0	0	0	0	110.1
213	T	31.9	Very low	29.8	Very low	139 Å²	139	142 Å²	142	85%	0.853	80%	0.796	S	S	*	*			trans	-133.9	134.2	156.7	43.7	0	0	0	0	110.7
214	K	27.1	Very low	30.1	Very low	164 Å²	164	142.2 Å²	142.2	71%	0.713	80%	0.797	S	S	*	*			trans	-79.1	145.1	170.8	-84.8	-173.8	163	-159.7	0	110.4	E216	K214-E216 IonicContact NZ-OE1 3.69Å; K214-E216 PolarHBondContact NZ-OE1 3.43Å
215	V	30.4	Very low	30.1	Very low	136 Å²	136	140.8 Å²	140.8	82%	0.824	79%	0.792	S	S	*	*			trans	-135.8	132.1	145.5	-178.1	0	0	0	0	107.6
216	E	26.2	Very low	30.5	Very low	144 Å²	144	141.9 Å²	141.9	67%	0.673	80%	0.797	S	S	*	*			trans	-103.9	135.2	179	-68	168.7	173.4	0	0	109.7	K214	K214-E216 IonicContact NZ-OE1 3.69Å; K214-E216 PolarHBondContact NZ-OE1 3.43Å
217	T	33.7	Very low	30.7	Very low	128 Å²	128	141.7 Å²	141.7	79%	0.785	79%	0.789	S	S	*	*			trans	-158.7	106.5	155.6	9	0	0	0	0	112.6
218	N	30.9	Very low	31	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	80%	0.798	S	S	*	*			trans	23.8	120.5	146.9	-60.7	-12	0	0	0	121.5
219	S	26.1	Very low	30.9	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	79%	0.79	S	S	*	*				64.2	109.3	126.4	-52	0	0	0	0	120.6
220	L	30.8	Very low	31.1	Very low	173 Å²	173	142.4 Å²	142.4	91%	0.906	79%	0.791	S	S	*	*				-169.9	159.6	100.2	-99.1	164.6	0	0	0	112
221	T	27.5	Very low	31.1	Very low	129 Å²	129	142.9 Å²	142.9	79%	0.791	79%	0.792	S	S	*	*			trans	-95.1	131.4	-169.8	50.4	0	0	0	0	113.9
222	V	31.5	Very low	31.1	Very low	125 Å²	125	139.6 Å²	139.6	76%	0.758	78%	0.781	S	S	*	*			trans	-138.6	123.5	150	-178.7	0	0	0	0	108	Q224	V222-Q224 HydrophobicContact CG1-CG 4.23Å
223	S	29	Very low	31.3	Very low	118 Å²	118	138.6 Å²	138.6	83%	0.825	78%	0.777	S	S	*	*			trans	-77.9	131.8	169.5	-174.5	0	0	0	0	109.3
224	Q	35.6	Very low	31.4	Very low	170 Å²	170	138.7 Å²	138.7	79%	0.794	77%	0.772	S	S	*	*			trans	-126.8	123	171.4	-70.2	-169.4	-9.9	0	0	109.8	V222	V222-Q224 HydrophobicContact CG1-CG 4.23Å
225	S	32.6	Very low	31.7	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	78%	0.78	S	S	*	*			trans	-62.3	142.7	175.9	-46.1	0	0	0	0	110.9	I227	S225-I227 PolarHBondContact O-N 2.97Å
226	P	34.6	Very low	31.9	Very low	128 Å²	128	140.9 Å²	140.9	83%	0.831	78%	0.783	S	S	*	*			trans	-71.3	95.4	176.5	29.1	-33.8	0	0	0	110.6	L228	P226-L228 PolarHBondContact O-N 2.9Å
227	I	35.9	Very low	32.2	Very low	138 Å²	138	143.4 Å²	143.4	71%	0.708	79%	0.792	S	S	*	*			trans	-68	112.2	170.7	-58.2	177.2	0	0	0	108.1	S225 L229	S225-I227 PolarHBondContact O-N 2.97Å; I227-L229 VanDerWaalsContact C-N 3.27Å; I227-L229 HydrophobicContact CG2-CD2 3.76Å; I227-L229 HydrophobicContact CG2-CG 4Å; I227-L229 PolarHBondContact O-N 2.94Å
228	L	33.1	Very low	32.4	Very low	157 Å²	157	142.9 Å²	142.9	82%	0.822	79%	0.791	S	S	*	*			trans	-70	85.9	168.1	-91.7	172.6	0	0	0	109.9	P226 F230	P226-L228 PolarHBondContact O-N 2.9Å; L228-F230 PolarHBondContact O-N 3.39Å; L228-F230 VanDerWaalsContact O-N 3.12Å
229	L	31.4	Very low	32.3	Very low	138 Å²	138	145.1 Å²	145.1	72%	0.723	80%	0.796	S	S	*	*			trans	-70.8	101.2	169.4	-67.2	177.3	0	0	0	109.5	I227 V231	I227-L229 VanDerWaalsContact C-N 3.27Å; I227-L229 HydrophobicContact CG2-CD2 3.76Å; I227-L229 HydrophobicContact CG2-CG 4Å; I227-L229 PolarHBondContact O-N 2.94Å; L229-V231 PolarHBondContact O-N 2.71Å
230	F	32	Very low	32.8	Very low	198 Å²	198	145.7 Å²	145.7	87%	0.868	80%	0.8	S	S	*	*			trans	-62.7	105	159.8	-92.6	-94.9	0	0	0	108.8	L228 D232	L228-F230 PolarHBondContact O-N 3.39Å; L228-F230 VanDerWaalsContact O-N 3.12Å; F230-D232 PolarHBondContact O-N 3.25Å
231	V	32.2	Very low	32.8	Very low	124 Å²	124	149.1 Å²	149.1	75%	0.752	80%	0.801	S	S	*	*			trans	-80.3	105	177	179.2	0	0	0	0	109	L229 P233	L229-V231 PolarHBondContact O-N 2.71Å; V231-P233 WeakPolarHBondContact O-CD 3.28Å
232	D	33.9	Very low	33.1	Very low	132 Å²	132	152.7 Å²	152.7	71%	0.706	81%	0.809	S	S	*	*			trans	-68.5	111.7	172	-177.5	2.7	0	0	0	110	F230 N234	F230-D232 PolarHBondContact O-N 3.25Å; D232-N234 PolarHBondContact O-N 3.17Å
233	P	30.5	Very low	32.9	Very low	112 Å²	112	152.1 Å²	152.1	73%	0.727	81%	0.809	S	S	*	*	S	Bend	trans	-83.5	54.8	-164.9	35.5	-37.3	0	0	0	112.7	V231	V231-P233 WeakPolarHBondContact O-CD 3.28Å
234	N	33.9	Very low	32.9	Very low	141 Å²	141	155.1 Å²	155.1	75%	0.754	81%	0.808	S	S	*	*			trans	-147.4	36.9	-176.4	-106.9	-53.1	0	0	0	115.1	D232	D232-N234 PolarHBondContact O-N 3.17Å
235	K	33.7	Very low	32.8	Very low	202 Å²	202	152.5 Å²	152.5	88%	0.878	81%	0.806	S	S	*	*			trans	-156.6	61.7	178.8	-132.7	171.1	-166.2	169.6	0	118.9
236	T	34.8	Very low	32.7	Very low	144 Å²	144	152.5 Å²	152.5	88%	0.883	80%	0.801	S	S	*	*			trans	-117.9	119.5	161.2	39.1	0	0	0	0	111
237	K	33.3	Very low	32.9	Very low	196 Å²	196	155.8 Å²	155.8	85%	0.852	81%	0.806	S	S	*	*			trans	-135.5	106.4	172.5	-172.2	-172.7	-176.1	-170.5	0	108.2
238	P	36.9	Very low	33	Very low	118 Å²	118	155.9 Å²	155.9	77%	0.766	81%	0.808	S	S	*	*			trans	-75	137.2	175.5	29.9	-31.8	0	0	0	110.3
239	E	29.7	Very low	33.5	Very low	196 Å²	196	153.6 Å²	153.6	92%	0.916	80%	0.802	S	S	*	*			trans	-92.8	124.9	160.9	-68.2	-171.8	125.3	0	0	108.8
240	S	36.1	Very low	33.7	Very low	120 Å²	120	152.3 Å²	152.3	84%	0.839	81%	0.805	S	S	*	*			trans	-135	142	157.8	54.6	0	0	0	0	108.9
241	R	31.2	Very low	34	Very low	244 Å²	244	151.2 Å²	151.2	92%	0.921	80%	0.802	S	S	*	*			trans	-98.4	144	-176.9	-60.2	167.4	175	161.3	-3.9	109
242	E	33.8	Very low	34.4	Very low	205 Å²	205	152.4 Å²	152.4	96%	0.958	80%	0.804	S	S	*	*			trans	-155.8	176.4	142.3	-120.8	159.6	-145.6	0	0	111.5
243	C	26.7	Very low	34.8	Very low	113 Å²	113	150.3 Å²	150.3	76%	0.764	81%	0.805	S	S	*	*			trans	-129.9	159.7	-151.5	-157.1	0	0	0	0	114.7
244	F	28.6	Very low	35.1	Very low	180 Å²	180	150.5 Å²	150.5	79%	0.789	81%	0.809	S	S	*	*			trans	-31.5	153.8	166.4	-70.7	-74	0	0	0	116.5
245	P	34.4	Very low	35.6	Very low	116 Å²	116	153.7 Å²	153.7	75%	0.753	82%	0.819	S	S	*	*			cis	-150.2	150.9	48	39.5	-18	0	0	0	121.9
246	T	31.1	Very low	35.8	Very low	100 Å²	100	149.4 Å²	149.4	61%	0.613	81%	0.814	S	S	*	*			trans	24.1	132.3	136.2	-30.8	0	0	0	0	122.7
247	Q	38.9	Very low	36.2	Very low	198 Å²	198	147.9 Å²	147.9	93%	0.925	81%	0.81	S	S	*	*			trans	-148.6	150.2	138.2	-112.2	166.1	44.2	0	0	113
248	N	36	Very low	36.6	Very low	140 Å²	140	143.7 Å²	143.7	75%	0.749	81%	0.805	S	S	*	*			trans	-103.1	-169.5	-163.8	-73.3	-24.5	0	0	0	112.4
249	P	43.7	Very low	36.5	Very low	108 Å²	108	142.9 Å²	142.9	70%	0.701	81%	0.808	S	S	*	*				-137.1	-163.8	-61	42	-25.3	0	0	0	113.2
250	S	36.3	Very low	36.9	Very low	112 Å²	112	139.1 Å²	139.1	78%	0.783	80%	0.799	S	S	*	*			trans	77.5	154.1	164.1	-56.7	0	0	0	0	116.5
251	E	39.2	Very low	36.9	Very low	175 Å²	175	138.5 Å²	138.5	82%	0.818	79%	0.794	S	S	*	*			cis	-151.9	169.9	16.5	-147.2	179	-177.8	0	0	114
252	L	40.8	Very low	37.6	Very low	149 Å²	149	133.1 Å²	133.1	78%	0.78	79%	0.789	S	S	*	*			trans	80.9	133	154.5	-113.4	70.6	0	0	0	124.7
253	A	40.9	Very low	37.8	Very low	88 Å²	88	129.9 Å²	129.9	73%	0.727	78%	0.778	S	S	*	*			trans	75.4	74.9	139.2	0	0	0	0	0	121.9
254	S	36.6	Very low	38.2	Very low	116 Å²	116	130.8 Å²	130.8	81%	0.811	78%	0.78	S	S	*	*			trans	-31.1	137.2	151.5	54	0	0	0	0	119
255	Q	44.7	Very low	38.9	Very low	207 Å²	207	127.4 Å²	127.4	97%	0.967	77%	0.774	S	S	*	*			trans	-143.6	145.4	141.7	-106.7	176.9	69.2	0	0	109.4
256	S	38.5	Very low	39.6	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	78%	0.775	S	S	*	*			trans	-127.8	131	-161.4	58.7	0	0	0	0	114.6
257	S	42.4	Very low	41.2	Very low	113 Å²	113	132 Å²	132	79%	0.79	79%	0.788	S	S	*	*			trans	-172.1	152.9	145.8	29.7	0	0	0	0	113.9
258	S	41.3	Very low	43.2	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	76%	0.764	S	S	*	*			trans	55	63.4	159.7	49.9	0	0	0	0	119.2	T260	S258-T260 PolarHBondContact O-N 2.93Å
259	A	35.3	Very low	45.8	Very low	101 Å²	101	122.9 Å²	122.9	84%	0.835	75%	0.749	S	S	*	*			trans	-79.4	101.9	149.6	0	0	0	0	0	109.6	S261	A259-S261 PolarHBondContact O-N 2.77Å
260	T	39.4	Very low	48.3	Very low	118 Å²	118	123 Å²	123	72%	0.724	74%	0.743	S	S	*	*			trans	-85.6	93.6	-179.7	-54	0	0	0	0	111.3	S258 V262	S258-T260 PolarHBondContact O-N 2.93Å; T260-V262 HydrophobicContact CG2-CG2 4.04Å; T260-V262 PolarHBondContact O-N 3.2Å
261	S	35.2	Very low	51.3	Low	106 Å²	106	117.8 Å²	117.8	74%	0.741	71%	0.706	S	S	*	*			trans	-71.2	90.5	170.3	42.7	0	0	0	0	111.4	A259 N263	A259-S261 PolarHBondContact O-N 2.77Å; S261-N263 PolarHBondContact O-N 3.02Å
262	V	44.8	Very low	54.1	Low	132 Å²	132	112.9 Å²	112.9	80%	0.8	69%	0.688	S	S	*	*			trans	-71.5	115	177.7	-170.3	0	0	0	0	110.2	T260	T260-V262 HydrophobicContact CG2-CG2 4.04Å; T260-V262 PolarHBondContact O-N 3.2Å
263	N	39.4	Very low	56.8	Low	136 Å²	136	106 Å²	106	73%	0.727	65%	0.652	S	S	*	*			trans	-53.1	135.1	-165.5	-70.5	-52.6	0	0	0	116.7	S261 T265	S261-N263 PolarHBondContact O-N 3.02Å; N263-T265 VanDerWaalsContact C-N 3.34Å; N263-T265 PolarHBondContact O-N 3.25Å
264	T	35.4	Very low	59.5	Low	132 Å²	132	102.2 Å²	102.2	81%	0.81	62%	0.62	S	S	*	*			trans	-73.3	73.7	171.7	-50.1	0	0	0	0	112.3
265	T	41.7	Very low	62.4	Low	110 Å²	110	99.2 Å²	99.2	68%	0.675	61%	0.607	S	S	*	*			trans	-140.2	54.4	179.1	43.3	0	0	0	0	115.1	N263	N263-T265 VanDerWaalsContact C-N 3.34Å; N263-T265 PolarHBondContact O-N 3.25Å
266	N	51	Low	64.8	Low	145 Å²	145	90.5 Å²	90.5	78%	0.775	57%	0.567	S	S	*	*			trans	-163.6	98.6	151.1	-113.6	-68.4	0	0	0	112.4	N268	N266-N268 PolarHBondContact O-N 3Å
267	L	64.5	Low	67.6	Low	166 Å²	166	91.4 Å²	91.4	87%	0.869	56%	0.557	S	S	*	*			trans	-79.9	49.8	-173.8	-70.1	166.4	0	0	0	113.9
268	N	80.6	Confident	70.2	Confident	79 Å²	79	86.3 Å²	86.3	42%	0.422	52%	0.522	S	S	.	.			trans	-130	106.4	176.5	-74.2	-78.6	0	0	0	110.6	N266 K277	N266-N268 PolarHBondContact O-N 3Å; N268-K277 WeakPolarHBondContact OD1-CE 3.47Å; N268-K277 PolarHBondContact OD1-NZ 2.62Å
269	P	90.3	Very high	72.8	Confident	69 Å²	69	84.3 Å²	84.3	45%	0.448	51%	0.508	S	S	.	.			trans	-65.9	150.7	179	26.6	-33.7	0	0	0	112.2	A278 I286	P269-A278 HydrophobicContact CB-CB 4.12Å; P269-A278 HydrophobicContact CG-CB 4.2Å; P269-A278 WeakPolarHBondContact O-CB 3.46Å; P269-A278 PolarHBondContact O-N 3.08Å; P269-I286 HydrophobicContact CB-CG2 3.91Å
270	I	96.6	Very high	75.6	Confident	111 Å²	111	80.6 Å²	80.6	57%	0.569	48%	0.48	S	S	*	.	B	Isolated β-bridge	trans	-111.7	141.5	-176.7	-60.1	177.4	0	0	0	110.1	V272 I286	I270-V272 PolarHBondContact O-N 3.13Å; I270-I286 WeakPolarHBondContact O-CG2 3.45Å
271	C	98.2	Very high	78.4	Confident	2 Å²	2	82.2 Å²	82.2	1%	0.014	48%	0.477	C	S	.	.			trans	-71.7	113.7	-179.5	177.6	0	0	0	0	111.5	I273 C274 G275 D276 C288	C271-I273 PolarHBondContact O-N 3.32Å; C271-C274 PolarHBondContact O-N 2.91Å; C271-C274 VanDerWaalsContact O-N 3.15Å; C271-C274 VanDerWaalsContact SG-SG 3.61Å; C271-G275 PolarHBondContact O-N 2.85Å; C271-D276 WeakPolarHBondContact CB-O 3.49Å; C271-D276 PolarHBondContact N-O 3.2Å; C271-C288 HydrophobicContact CB-CB 3.94Å; C271-C288 PolarHBondContact SG-N 2.73Å; C271-C288 VanDerWaalsContact SG-N 3.35Å
272	V	97.5	Very high	81.4	Confident	71 Å²	71	78.6 Å²	78.6	43%	0.43	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-6.9	-175	-55.6	0	0	0	0	114.9	I270 V285 I286 K334	I270-V272 PolarHBondContact O-N 3.13Å; V272-V285 HydrophobicContact CG2-CB 4.25Å; V272-V285 HydrophobicContact CG2-CG2 4.44Å; V272-I286 HydrophobicContact CG1-CB 4.47Å; V272-I286 PolarHBondContact N-O 3.1Å; V272-I286 VanDerWaalsContact N-O 3.12Å; V272-K334 HydrophobicContact CG2-CB 3.94Å; V272-K334 HydrophobicContact CG2-CG 4.23Å; V272-K334 WeakPolarHBondContact O-CE 3.27Å
273	I	98	Very high	83.9	Confident	5 Å²	5	74.2 Å²	74.2	3%	0.026	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-27.9	-178.9	-56.6	94.3	0	0	0	112.3	C271 V285 V315 Q330 K334 M336	C271-I273 PolarHBondContact O-N 3.32Å; I273-V285 HydrophobicContact CD1-CG2 3.82Å; I273-V315 HydrophobicContact CG2-CG1 4.32Å; I273-V315 WeakPolarHBondContact O-CG1 3.37Å; I273-Q330 HydrophobicContact CG2-CB 4.44Å; I273-Q330 HydrophobicContact CG2-CG 4.06Å; I273-K334 HydrophobicContact CG1-CB 4.33Å; I273-K334 HydrophobicContact CG1-CG 4.42Å; I273-M336 HydrophobicContact CD1-CE 3.85Å
274	C	97.9	Very high	86.6	Confident	8 Å²	8	69.4 Å²	69.4	5%	0.054	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-153	7.5	-172.6	66.6	0	0	0	0	117	C271 D276 C291 V315 D316 R317 R320	C271-C274 PolarHBondContact O-N 2.91Å; C271-C274 VanDerWaalsContact O-N 3.15Å; C271-C274 VanDerWaalsContact SG-SG 3.61Å; C274-D276 PolarHBondContact O-N 3.26Å; C274-D276 VanDerWaalsContact O-N 3.12Å; C274-C291 VanDerWaalsContact SG-SG 3.62Å; C274-V315 WeakPolarHBondContact CA-O 3.42Å; C274-V315 HydrophobicContact CB-CG1 4.21Å; C274-D316 CarbonylContact O-C 3.55Å; C274-R317 WeakPolarHBondContact O-CA 3.47Å; C274-R317 PolarHBondContact O-N 3.32Å; C274-R320 HydrophobicContact CB-CB 4.35Å; C274-R320 PolarHBondContact SG-NH1 3.18Å
275	G	96.7	Very high	89.6	Confident	53 Å²	53	63.8 Å²	63.8	55%	0.546	37%	0.365	S	S	.	.	S	Bend	trans	70.7	3.7	177.5	0	0	0	0	0	115.8	C271	C271-G275 PolarHBondContact O-N 2.85Å
276	D	96.8	Very high	92.2	Very high	24 Å²	24	61.7 Å²	61.7	13%	0.128	35%	0.349	C	S	.	.	S	Bend	trans	-77.6	161.2	174.9	-162.3	13.1	0	0	0	111.7	C271 C274 A278 C288 R317 R320	C271-D276 WeakPolarHBondContact CB-O 3.49Å; C271-D276 PolarHBondContact N-O 3.2Å; C274-D276 PolarHBondContact O-N 3.26Å; C274-D276 VanDerWaalsContact O-N 3.12Å; D276-A278 PolarHBondContact O-N 2.95Å; D276-C288 HydrophobicContact CB-CB 4.24Å; D276-R317 HydrophobicContact CB-CB 4.3Å; D276-R317 HydrophobicContact CB-CG 4Å; D276-R317 WeakPolarHBondContact OD1-CD 3.44Å; D276-R317 IonicContact OD1-CZ 2.68Å; D276-R317 IonicContact OD1-NE 2.67Å; D276-R317 PolarHBondContact OD1-NE 2.8Å; D276-R320 VanDerWaalsContact CB-NH1 3.34Å; D276-R320 IonicContact OD2-CZ 3.68Å; D276-R320 IonicContact OD2-NH1 2.8Å; D276-R320 PolarHBondContact OD2-NH1 3.39Å; D276-R320 IonicContact OD2-NH2 3.25Å; D276-R320 PolarHBondContact OD2-NH2 3.38Å
277	K	96.6	Very high	94.5	Very high	132 Å²	132	54.8 Å²	54.8	57%	0.574	31%	0.312	S	S	*	.	B	Isolated β-bridge	trans	-60.6	125	179.4	178.3	169.5	170.9	168	0	110.4	N268 C288	N268-K277 WeakPolarHBondContact OD1-CE 3.47Å; N268-K277 PolarHBondContact OD1-NZ 2.62Å; K277-C288 WeakPolarHBondContact O-CB 3.36Å
278	A	97.3	Very high	96.1	Very high	6 Å²	6	47 Å²	47	5%	0.05	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-77.8	149	176.9	0	0	0	0	0	111.4	P269 D276 I286 S287	P269-A278 HydrophobicContact CB-CB 4.12Å; P269-A278 HydrophobicContact CG-CB 4.2Å; P269-A278 WeakPolarHBondContact O-CB 3.46Å; P269-A278 PolarHBondContact O-N 3.08Å; D276-A278 PolarHBondContact O-N 2.95Å; A278-I286 HydrophobicContact CB-CG2 3.6Å; A278-S287 WeakPolarHBondContact CA-O 3.08Å; A278-S287 WeakPolarHBondContact CB-O 3.24Å
279	S	95.5	Very high	96.9	Very high	65 Å²	65	48 Å²	48	46%	0.455	27%	0.274	S	S	.	.			trans	-101.2	-12.7	172.6	50.6	0	0	0	0	112.7	H282 S287 E289	S279-H282 PolarHBondContact OG-NE2 2.65Å; S279-S287 PolarHBondContact N-O 3.36Å; S279-S287 PolarHBondContact OG-O 3.45Å; S279-E289 WeakPolarHBondContact CB-OE1 3.49Å; S279-E289 PolarHBondContact OG-OE1 3.48Å
280	G	95	Very high	97.2	Very high	23 Å²	23	46.1 Å²	46.1	24%	0.237	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.7	-162.5	178.7	0	0	0	0	0	112.4	I286 S287	G280-I286 WeakPolarHBondContact O-CA 3.43Å; G280-S287 PolarHBondContact O-N 3.13Å
281	K	96.9	Very high	97.3	Very high	151 Å²	151	40.9 Å²	40.9	66%	0.657	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.9	172.1	-166.7	178.9	-173.4	178.5	0	109.2	G284 V285 I286	K281-G284 WeakPolarHBondContact CE-O 3.36Å; K281-V285 CarbonylContact C-O 3.44Å; K281-V285 WeakPolarHBondContact CA-O 3.45Å; K281-I286 HydrophobicContact CB-CD1 3.99Å; K281-I286 HydrophobicContact CG-CD1 4.44Å
282	H	98	Very high	97.3	Very high	31 Å²	31	43.3 Å²	43.3	14%	0.144	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.1	176.1	-51.2	-75.2	0	0	0	109.2	S279 G284 V285 S287 E289 K292	S279-H282 PolarHBondContact OG-NE2 2.65Å; H282-G284 PolarHBondContact O-N 3.2Å; H282-G284 VanDerWaalsContact O-N 3.09Å; H282-V285 PolarHBondContact N-O 2.96Å; H282-V285 PolarHBondContact O-N 3.01Å; H282-S287 PolarHBondContact CD2-O 3.4Å; H282-S287 PolarHBondContact CD2-OG 2.83Å; H282-E289 IonicContact CE1-OE1 3.79Å; H282-E289 IonicContact NE2-OE1 2.68Å; H282-E289 PolarHBondContact NE2-OE1 3.02Å; H282-K292 HydrophobicContact CB-CB 4.04Å; H282-K292 HydrophobicContact CB-CD 4.42Å; H282-K292 HydrophobicContact CB-CG 3.88Å; H282-K292 WeakPolarHBondContact ND1-CD 3.37Å; H282-K292 VanDerWaalsContact ND1-CE 3.28Å; H282-K292 WeakPolarHBondContact ND1-CE 3.48Å
283	Y	97.7	Very high	97.3	Very high	40 Å²	40	40.9 Å²	40.9	16%	0.157	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	35.8	180	-45.4	-59.2	0	0	0	113.7	K292 F295 K296 M336 K337 A340 V341	Y283-K292 HydrophobicContact CE2-CB 4.4Å; Y283-K292 HydrophobicContact CE2-CG 3.88Å; Y283-K292 WeakPolarHBondContact CE2-O 3.44Å; Y283-F295 HydrophobicContact CD2-CB 4.37Å; Y283-F295 AromaticContact CD2-CD1 3.61Å; Y283-F295 HydrophobicContact CD2-CD1 3.61Å; Y283-F295 HydrophobicContact CD2-CE1 4.38Å; Y283-F295 HydrophobicContact CD2-CG 4.36Å; Y283-F295 HydrophobicContact CE2-CD1 4.25Å; Y283-F295 AromaticContact CG-CD1 3.83Å; Y283-F295 HydrophobicContact CG-CD1 3.83Å; Y283-F295 HydrophobicContact CG-CE1 4.15Å; Y283-K296 HydrophobicContact CE2-CB 4.36Å; Y283-K296 WeakPolarHBondContact OH-CB 3.46Å; Y283-K296 WeakPolarHBondContact OH-CG 3.25Å; Y283-M336 CarbonylContact O-C 3.57Å; Y283-M336 WeakPolarHBondContact O-CA 3.44Å; Y283-K337 PolarHBondContact O-N 2.93Å; Y283-A340 HydrophobicContact CD1-CB 4.01Å; Y283-A340 WeakPolarHBondContact CD1-O 3.43Å; Y283-A340 WeakPolarHBondContact CE1-O 3.45Å; Y283-V341 HydrophobicContact CD1-CG2 3.69Å; Y283-V341 HydrophobicContact CE1-CB 4.35Å; Y283-V341 HydrophobicContact CE1-CG2 3.71Å; Y283-V341 HydrophobicContact CG-CG2 4.22Å
284	G	96.5	Very high	97.3	Very high	35 Å²	35	41 Å²	41	36%	0.361	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	99	-18.7	-179.5	0	0	0	0	0	115.9	K281 H282	K281-G284 WeakPolarHBondContact CE-O 3.36Å; H282-G284 PolarHBondContact O-N 3.2Å; H282-G284 VanDerWaalsContact O-N 3.09Å
285	V	97.4	Very high	97.4	Very high	13 Å²	13	40.6 Å²	40.6	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.6	-167.6	-47.9	0	0	0	0	114	V272 I273 K281 H282 S287 K334 G335 M336	V272-V285 HydrophobicContact CG2-CB 4.25Å; V272-V285 HydrophobicContact CG2-CG2 4.44Å; I273-V285 HydrophobicContact CD1-CG2 3.82Å; K281-V285 CarbonylContact C-O 3.44Å; K281-V285 WeakPolarHBondContact CA-O 3.45Å; H282-V285 PolarHBondContact N-O 2.96Å; H282-V285 PolarHBondContact O-N 3.01Å; V285-S287 PolarHBondContact O-N 2.95Å; V285-S287 PolarHBondContact O-OG 2.9Å; V285-K334 WeakPolarHBondContact CG1-O 3.45Å; V285-G335 WeakPolarHBondContact CG1-O 3.43Å; V285-M336 HydrophobicContact CG1-CG 4.26Å; V285-M336 HydrophobicContact CG2-CE 3.47Å; V285-M336 VanDerWaalsContact CG2-CE 3.47Å; V285-M336 HydrophobicContact CG2-CG 3.45Å; V285-M336 VanDerWaalsContact CG2-CG 3.45Å; V285-M336 HydrophobicContact CG2-SD 4.32Å
286	I	97.8	Very high	97.4	Very high	67 Å²	67	41.3 Å²	41.3	34%	0.344	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	113.1	175	-58.2	-58.5	0	0	0	109.8	P269 I270 V272 A278 G280 K281	P269-I286 HydrophobicContact CB-CG2 3.91Å; I270-I286 WeakPolarHBondContact O-CG2 3.45Å; V272-I286 HydrophobicContact CG1-CB 4.47Å; V272-I286 PolarHBondContact N-O 3.1Å; V272-I286 VanDerWaalsContact N-O 3.12Å; A278-I286 HydrophobicContact CB-CG2 3.6Å; G280-I286 WeakPolarHBondContact O-CA 3.43Å; K281-I286 HydrophobicContact CB-CD1 3.99Å; K281-I286 HydrophobicContact CG-CD1 4.44Å
287	S	98.1	Very high	97.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	162.5	-171.3	55.1	0	0	0	0	114.2	A278 S279 G280 H282 V285 M336	A278-S287 WeakPolarHBondContact CA-O 3.08Å; A278-S287 WeakPolarHBondContact CB-O 3.24Å; S279-S287 PolarHBondContact N-O 3.36Å; S279-S287 PolarHBondContact OG-O 3.45Å; G280-S287 PolarHBondContact O-N 3.13Å; H282-S287 PolarHBondContact CD2-O 3.4Å; H282-S287 PolarHBondContact CD2-OG 2.83Å; V285-S287 PolarHBondContact O-N 2.95Å; V285-S287 PolarHBondContact O-OG 2.9Å; S287-M336 WeakPolarHBondContact OG-CE 3.29Å
288	C	98.3	Very high	97.4	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.02	22%	0.218	C	C	.	.			trans	-87.5	156.9	174.7	66.4	0	0	0	0	111.3	C271 D276 K277 G290 C291 K292 R320	C271-C288 HydrophobicContact CB-CB 3.94Å; C271-C288 PolarHBondContact SG-N 2.73Å; C271-C288 VanDerWaalsContact SG-N 3.35Å; D276-C288 HydrophobicContact CB-CB 4.24Å; K277-C288 WeakPolarHBondContact O-CB 3.36Å; C288-G290 PolarHBondContact O-N 3.38Å; C288-C291 PolarHBondContact O-N 2.8Å; C288-K292 PolarHBondContact O-N 2.72Å; C288-R320 PolarHBondContact SG-NH1 2.98Å
289	E	97.5	Very high	97.3	Very high	98 Å²	98	42 Å²	42	46%	0.458	23%	0.226	S	C	.	.	H	α-helix	trans	-51.2	-33.4	174.7	-66.7	-58.6	118.6	0	0	112.8	S279 H282 K292 G293	S279-E289 WeakPolarHBondContact CB-OE1 3.49Å; S279-E289 PolarHBondContact OG-OE1 3.48Å; H282-E289 IonicContact CE1-OE1 3.79Å; H282-E289 IonicContact NE2-OE1 2.68Å; H282-E289 PolarHBondContact NE2-OE1 3.02Å; E289-K292 WeakPolarHBondContact OE1-CD 3.04Å; E289-K292 IonicContact OE1-NZ 2.75Å; E289-K292 PolarHBondContact OE1-NZ 2.87Å; E289-K292 VanDerWaalsContact OE2-CD 3.26Å; E289-K292 WeakPolarHBondContact OE2-CD 3.32Å; E289-K292 WeakPolarHBondContact OE2-CE 3.26Å; E289-K292 IonicContact OE2-NZ 3.64Å; E289-K292 PolarHBondContact OE2-NZ 3.06Å; E289-G293 PolarHBondContact O-N 3.33Å
290	G	97.6	Very high	97.1	Very high	31 Å²	31	41.6 Å²	41.6	32%	0.32	21%	0.214	S	C	.	.	H	α-helix	trans	-63.3	-39.3	177.2	0	0	0	0	0	114.3	C288 F294 R327	C288-G290 PolarHBondContact O-N 3.38Å; G290-F294 WeakPolarHBondContact O-CB 3.3Å; G290-F294 PolarHBondContact O-N 3.49Å; G290-R327 PolarHBondContact O-NH2 2.99Å
291	C	98.5	Very high	97	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-85.1	-38.8	177.7	-71.4	0	0	0	0	112.2	C274 C288 G293 F294 F295 R327 M336	C274-C291 VanDerWaalsContact SG-SG 3.62Å; C288-C291 PolarHBondContact O-N 2.8Å; C291-G293 PolarHBondContact O-N 3.38Å; C291-F294 PolarHBondContact O-N 3.01Å; C291-F295 WeakPolarHBondContact O-CB 3.36Å; C291-F295 PolarHBondContact O-N 3.26Å; C291-R327 PolarHBondContact SG-NH2 3.38Å; C291-M336 HydrophobicContact CB-CE 4.47Å
292	K	97.9	Very high	96.6	Very high	54 Å²	54	49.1 Å²	49.1	24%	0.235	24%	0.243	C	C	.	.	H	α-helix	trans	-50	-55.8	167.5	172.4	-159.1	-169.7	-178.1	0	111.5	H282 Y283 C288 E289 F294 F295 K296	H282-K292 HydrophobicContact CB-CB 4.04Å; H282-K292 HydrophobicContact CB-CD 4.42Å; H282-K292 HydrophobicContact CB-CG 3.88Å; H282-K292 WeakPolarHBondContact ND1-CD 3.37Å; H282-K292 VanDerWaalsContact ND1-CE 3.28Å; H282-K292 WeakPolarHBondContact ND1-CE 3.48Å; Y283-K292 HydrophobicContact CE2-CB 4.4Å; Y283-K292 HydrophobicContact CE2-CG 3.88Å; Y283-K292 WeakPolarHBondContact CE2-O 3.44Å; C288-K292 PolarHBondContact O-N 2.72Å; E289-K292 WeakPolarHBondContact OE1-CD 3.04Å; E289-K292 IonicContact OE1-NZ 2.75Å; E289-K292 PolarHBondContact OE1-NZ 2.87Å; E289-K292 VanDerWaalsContact OE2-CD 3.26Å; E289-K292 WeakPolarHBondContact OE2-CD 3.32Å; E289-K292 WeakPolarHBondContact OE2-CE 3.26Å; E289-K292 IonicContact OE2-NZ 3.64Å; E289-K292 PolarHBondContact OE2-NZ 3.06Å; K292-F294 VanDerWaalsContact C-N 3.32Å; K292-F294 PolarHBondContact O-N 3.41Å; K292-F295 PolarHBondContact O-N 3.4Å; K292-K296 WeakPolarHBondContact O-CB 3.48Å; K292-K296 PolarHBondContact O-N 2.96Å
293	G	97.5	Very high	96.4	Very high	19 Å²	19	51 Å²	51	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-30.8	-178.8	0	0	0	0	0	113.9	E289 C291 R297	E289-G293 PolarHBondContact O-N 3.33Å; C291-G293 PolarHBondContact O-N 3.38Å; G293-R297 WeakPolarHBondContact O-CG 3.31Å; G293-R297 VanDerWaalsContact O-CZ 3.23Å; G293-R297 PolarHBondContact O-N 2.92Å; G293-R297 PolarHBondContact O-NH1 3.28Å
294	F	98.4	Very high	96.2	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-67.8	-53.2	172.7	168.7	-103	0	0	0	111.7	G290 C291 K292 K296 R297 T298 Y305 Q324 R327 F328	G290-F294 WeakPolarHBondContact O-CB 3.3Å; G290-F294 PolarHBondContact O-N 3.49Å; C291-F294 PolarHBondContact O-N 3.01Å; K292-F294 VanDerWaalsContact C-N 3.32Å; K292-F294 PolarHBondContact O-N 3.41Å; F294-K296 VanDerWaalsContact C-N 3.35Å; F294-K296 PolarHBondContact O-N 3.01Å; F294-R297 PolarHBondContact O-N 2.68Å; F294-T298 PolarHBondContact O-N 2.75Å; F294-T298 PolarHBondContact O-OG1 3.48Å; F294-Y305 AromaticContact CE2-CE2 3.71Å; F294-Y305 HydrophobicContact CE2-CE2 3.71Å; F294-Y305 HydrophobicContact CZ-CD2 4.26Å; F294-Y305 AromaticContact CZ-CE2 3.58Å; F294-Y305 HydrophobicContact CZ-CE2 3.58Å; F294-Q324 HydrophobicContact CE2-CB 4.19Å; F294-Q324 HydrophobicContact CE2-CG 4.24Å; F294-Q324 HydrophobicContact CZ-CB 4.35Å; F294-Q324 WeakPolarHBondContact CZ-O 3.25Å; F294-R327 HydrophobicContact CD1-CG 3.95Å; F294-R327 HydrophobicContact CE1-CB 4Å; F294-R327 HydrophobicContact CE1-CG 3.67Å; F294-R327 HydrophobicContact CZ-CB 4.15Å; F294-R327 HydrophobicContact CZ-CG 4.21Å; F294-F328 HydrophobicContact CE1-CB 3.96Å; F294-F328 HydrophobicContact CE1-CD2 4.2Å; F294-F328 HydrophobicContact CZ-CB 4.03Å
295	F	98.4	Very high	96.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-45	179.3	-168.4	-97.7	0	0	0	111.4	Y283 C291 K292 R297 T298 V299 F328 C331 L332 M336 K337 K338 V341	Y283-F295 HydrophobicContact CD2-CB 4.37Å; Y283-F295 AromaticContact CD2-CD1 3.61Å; Y283-F295 HydrophobicContact CD2-CD1 3.61Å; Y283-F295 HydrophobicContact CD2-CE1 4.38Å; Y283-F295 HydrophobicContact CD2-CG 4.36Å; Y283-F295 HydrophobicContact CE2-CD1 4.25Å; Y283-F295 AromaticContact CG-CD1 3.83Å; Y283-F295 HydrophobicContact CG-CD1 3.83Å; Y283-F295 HydrophobicContact CG-CE1 4.15Å; C291-F295 WeakPolarHBondContact O-CB 3.36Å; C291-F295 PolarHBondContact O-N 3.26Å; K292-F295 PolarHBondContact O-N 3.4Å; F295-R297 VanDerWaalsContact C-N 3.3Å; F295-R297 PolarHBondContact O-N 3.04Å; F295-T298 PolarHBondContact O-N 3.4Å; F295-V299 HydrophobicContact CD1-CG2 4.14Å; F295-V299 HydrophobicContact CE1-CG2 3.83Å; F295-V299 HydrophobicContact CE2-CG2 4.35Å; F295-V299 HydrophobicContact CZ-CG2 3.94Å; F295-V299 WeakPolarHBondContact O-CG2 3.4Å; F295-V299 PolarHBondContact O-N 3.45Å; F295-F328 AromaticContact CD2-CD2 3.9Å; F295-F328 HydrophobicContact CD2-CD2 3.9Å; F295-F328 AromaticContact CD2-CE2 3.53Å; F295-F328 HydrophobicContact CD2-CE2 3.53Å; F295-F328 HydrophobicContact CE2-CD2 4.17Å; F295-F328 AromaticContact CE2-CE2 3.52Å; F295-F328 HydrophobicContact CE2-CE2 3.52Å; F295-F328 HydrophobicContact CE2-CZ 4.22Å; F295-F328 HydrophobicContact CG-CE2 4.48Å; F295-F328 HydrophobicContact CZ-CE2 4.46Å; F295-C331 HydrophobicContact CD2-CB 3.73Å; F295-C331 HydrophobicContact CE2-CB 4.15Å; F295-L332 HydrophobicContact CE2-CD2 3.81Å; F295-L332 HydrophobicContact CZ-CD2 4.17Å; F295-M336 HydrophobicContact CB-SD 3.7Å; F295-M336 HydrophobicContact CD1-CB 4.35Å; F295-M336 HydrophobicContact CD1-SD 4.14Å; F295-M336 HydrophobicContact CD2-CB 3.87Å; F295-M336 HydrophobicContact CD2-CG 4.41Å; F295-M336 HydrophobicContact CD2-SD 3.7Å; F295-M336 HydrophobicContact CE1-CB 4.03Å; F295-M336 HydrophobicContact CE2-CB 3.5Å; F295-M336 HydrophobicContact CE2-SD 4.35Å; F295-M336 HydrophobicContact CG-CB 4.28Å; F295-M336 HydrophobicContact CG-SD 3.58Å; F295-M336 VanDerWaalsContact CG-SD 3.58Å; F295-M336 HydrophobicContact CZ-CB 3.59Å; F295-M336 WeakPolarHBondContact CZ-O 3.45Å; F295-K337 WeakPolarHBondContact CE1-O 3.32Å; F295-K338 HydrophobicContact CZ-CG 4Å; F295-V341 HydrophobicContact CD1-CG2 3.78Å; F295-V341 HydrophobicContact CE1-CG2 3.68Å
296	K	97	Very high	96.1	Very high	68 Å²	68	61 Å²	61	30%	0.296	31%	0.308	S	S	.	.	H	α-helix	trans	-54.9	-42	176.2	-161.3	-167.7	82.1	135.4	0	113	Y283 K292 F294 R300 V341 E344	Y283-K296 HydrophobicContact CE2-CB 4.36Å; Y283-K296 WeakPolarHBondContact OH-CB 3.46Å; Y283-K296 WeakPolarHBondContact OH-CG 3.25Å; K292-K296 WeakPolarHBondContact O-CB 3.48Å; K292-K296 PolarHBondContact O-N 2.96Å; F294-K296 VanDerWaalsContact C-N 3.35Å; F294-K296 PolarHBondContact O-N 3.01Å; K296-R300 WeakPolarHBondContact O-CB 3.35Å; K296-R300 WeakPolarHBondContact O-CD 3.38Å; K296-R300 WeakPolarHBondContact O-CG 3.26Å; K296-R300 PolarHBondContact O-N 3.25Å; K296-V341 HydrophobicContact CG-CG1 4.08Å; K296-E344 IonicContact NZ-OE1 2.84Å
297	R	96.7	Very high	96	Very high	141 Å²	141	59 Å²	59	53%	0.532	30%	0.299	S	S	.	.	H	α-helix	trans	-74.2	-40.5	179.5	-73.8	-173.5	-58.7	-95.9	1.5	112.4	G293 F294 F295 K301	G293-R297 WeakPolarHBondContact O-CG 3.31Å; G293-R297 VanDerWaalsContact O-CZ 3.23Å; G293-R297 PolarHBondContact O-N 2.92Å; G293-R297 PolarHBondContact O-NH1 3.28Å; F294-R297 PolarHBondContact O-N 2.68Å; F295-R297 VanDerWaalsContact C-N 3.3Å; F295-R297 PolarHBondContact O-N 3.04Å; R297-K301 WeakPolarHBondContact O-CB 3.32Å; R297-K301 PolarHBondContact O-N 3.49Å; R297-K301 VanDerWaalsContact O-N 3.13Å
298	T	97.2	Very high	95.9	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.012	34%	0.344	C	S	.	.	H	α-helix	trans	-61.4	-47.6	179.6	-48.5	0	0	0	0	110.5	F294 F295 Q302 L303 Y305 F328	F294-T298 PolarHBondContact O-N 2.75Å; F294-T298 PolarHBondContact O-OG1 3.48Å; F295-T298 PolarHBondContact O-N 3.4Å; T298-Q302 WeakPolarHBondContact O-CA 3.44Å; T298-Q302 PolarHBondContact O-N 3.44Å; T298-Q302 VanDerWaalsContact O-N 3.11Å; T298-L303 HydrophobicContact CG2-CB 4.22Å; T298-L303 WeakPolarHBondContact CG2-O 3.36Å; T298-L303 PolarHBondContact O-N 3.32Å; T298-Y305 HydrophobicContact CG2-CD2 4.19Å; T298-Y305 HydrophobicContact CG2-CE2 3.43Å; T298-Y305 VanDerWaalsContact CG2-CE2 3.43Å; T298-Y305 PolarHBondContact OG1-OH 2.74Å; T298-F328 HydrophobicContact CG2-CD1 4.2Å; T298-F328 HydrophobicContact CG2-CD2 3.54Å; T298-F328 HydrophobicContact CG2-CE1 4.11Å; T298-F328 HydrophobicContact CG2-CE2 3.46Å; T298-F328 VanDerWaalsContact CG2-CE2 3.46Å; T298-F328 HydrophobicContact CG2-CG 3.91Å; T298-F328 HydrophobicContact CG2-CZ 3.75Å
299	V	95.8	Very high	95.6	Very high	34 Å²	34	74.9 Å²	74.9	21%	0.206	36%	0.362	C	S	.	.	H	α-helix	trans	-69.4	-50	180	178.3	0	0	0	0	111.9	F295 K301 Q302 F328 K338 V341	F295-V299 HydrophobicContact CD1-CG2 4.14Å; F295-V299 HydrophobicContact CE1-CG2 3.83Å; F295-V299 HydrophobicContact CE2-CG2 4.35Å; F295-V299 HydrophobicContact CZ-CG2 3.94Å; F295-V299 WeakPolarHBondContact O-CG2 3.4Å; F295-V299 PolarHBondContact O-N 3.45Å; V299-K301 VanDerWaalsContact C-N 3.29Å; V299-K301 PolarHBondContact O-N 2.75Å; V299-Q302 PolarHBondContact O-N 3.03Å; V299-Q302 VanDerWaalsContact O-N 3.1Å; V299-F328 HydrophobicContact CG2-CE2 4.19Å; V299-F328 HydrophobicContact CG2-CZ 4.25Å; V299-K338 HydrophobicContact CG2-CB 4.4Å; V299-K338 HydrophobicContact CG2-CG 4.22Å; V299-V341 HydrophobicContact CB-CB 4.21Å; V299-V341 HydrophobicContact CB-CG1 4.18Å; V299-V341 HydrophobicContact CB-CG2 4.03Å; V299-V341 HydrophobicContact CG1-CB 3.87Å; V299-V341 HydrophobicContact CG1-CG1 4.13Å; V299-V341 HydrophobicContact CG1-CG2 4.08Å; V299-V341 HydrophobicContact CG2-CG2 4.15Å
300	R	91.9	Very high	95.4	Very high	56 Å²	56	74.3 Å²	74.3	21%	0.211	37%	0.369	C	S	.	.	H	α-helix	trans	-54.3	-41.6	178.5	-87.3	171.1	163.2	43.4	13.7	114.2	K296 V341 Q342 E343 E344	K296-R300 WeakPolarHBondContact O-CB 3.35Å; K296-R300 WeakPolarHBondContact O-CD 3.38Å; K296-R300 WeakPolarHBondContact O-CG 3.26Å; K296-R300 PolarHBondContact O-N 3.25Å; R300-V341 HydrophobicContact CG-CG1 4.38Å; R300-V341 VanDerWaalsContact NH1-CG1 3.35Å; R300-Q342 VanDerWaalsContact CZ-O 3.23Å; R300-Q342 PolarHBondContact NH1-O 3.37Å; R300-Q342 PolarHBondContact NH2-O 2.8Å; R300-E343 PolarHBondContact NH2-O 2.85Å; R300-E344 WeakPolarHBondContact CD-OE2 3.18Å; R300-E344 IonicContact CZ-OE1 2.69Å; R300-E344 VanDerWaalsContact CZ-OE1 3.27Å; R300-E344 IonicContact NE-OE1 3.2Å; R300-E344 PolarHBondContact NE-OE1 3.27Å; R300-E344 IonicContact NE-OE2 3.59Å; R300-E344 PolarHBondContact NE-OE2 3.27Å; R300-E344 VanDerWaalsContact NE-OE2 3.09Å; R300-E344 IonicContact NH2-OE1 3.27Å; R300-E344 PolarHBondContact NH2-OE1 2.83Å
301	K	91.2	Very high	95.2	Very high	160 Å²	160	74.3 Å²	74.3	70%	0.696	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	13.6	-176.9	-67.4	-162.4	170.1	-144.9	0	112.7	R297 V299 L303	R297-K301 WeakPolarHBondContact O-CB 3.32Å; R297-K301 PolarHBondContact O-N 3.49Å; R297-K301 VanDerWaalsContact O-N 3.13Å; V299-K301 VanDerWaalsContact C-N 3.29Å; V299-K301 PolarHBondContact O-N 2.75Å; K301-L303 HydrophobicContact CB-CD1 4.08Å; K301-L303 HydrophobicContact CB-CD2 3.91Å; K301-L303 HydrophobicContact CB-CG 3.68Å; K301-L303 WeakPolarHBondContact O-CD2 3.3Å; K301-L303 PolarHBondContact O-N 3.47Å
302	Q	89.7	Confident	95.1	Very high	173 Å²	173	81.8 Å²	81.8	81%	0.808	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	38	-179.9	-54.1	-171.8	13.2	0	0	113.6	T298 V299 V304	T298-Q302 WeakPolarHBondContact O-CA 3.44Å; T298-Q302 PolarHBondContact O-N 3.44Å; T298-Q302 VanDerWaalsContact O-N 3.11Å; V299-Q302 PolarHBondContact O-N 3.03Å; V299-Q302 VanDerWaalsContact O-N 3.1Å; Q302-V304 PolarHBondContact O-N 2.93Å
303	L	94.1	Very high	95	Very high	69 Å²	69	79.7 Å²	79.7	36%	0.361	40%	0.396	S	S	.	.			trans	-75.2	113.5	-167.5	-62	174.7	0	0	0	111.3	T298 K301 Y305	T298-L303 HydrophobicContact CG2-CB 4.22Å; T298-L303 WeakPolarHBondContact CG2-O 3.36Å; T298-L303 PolarHBondContact O-N 3.32Å; K301-L303 HydrophobicContact CB-CD1 4.08Å; K301-L303 HydrophobicContact CB-CD2 3.91Å; K301-L303 HydrophobicContact CB-CG 3.68Å; K301-L303 WeakPolarHBondContact O-CD2 3.3Å; K301-L303 PolarHBondContact O-N 3.47Å; L303-Y305 HydrophobicContact CB-CE1 3.9Å; L303-Y305 HydrophobicContact CD1-CE1 4.32Å; L303-Y305 WeakPolarHBondContact CD1-OH 3.48Å
304	V	92.5	Very high	95	Very high	134 Å²	134	82.7 Å²	82.7	81%	0.812	41%	0.412	S	S	*	.			trans	-78.2	135.7	166.7	-176.1	0	0	0	0	109.1	Q302	Q302-V304 PolarHBondContact O-N 2.93Å
305	Y	96.1	Very high	94.9	Very high	38 Å²	38	83.6 Å²	83.6	15%	0.149	42%	0.419	C	S	.	.			trans	-122.1	138.4	175.5	-58.6	-50.4	0	0	0	110	F294 T298 L303 Q324 H325 F328	F294-Y305 AromaticContact CE2-CE2 3.71Å; F294-Y305 HydrophobicContact CE2-CE2 3.71Å; F294-Y305 HydrophobicContact CZ-CD2 4.26Å; F294-Y305 AromaticContact CZ-CE2 3.58Å; F294-Y305 HydrophobicContact CZ-CE2 3.58Å; T298-Y305 HydrophobicContact CG2-CD2 4.19Å; T298-Y305 HydrophobicContact CG2-CE2 3.43Å; T298-Y305 VanDerWaalsContact CG2-CE2 3.43Å; T298-Y305 PolarHBondContact OG1-OH 2.74Å; L303-Y305 HydrophobicContact CB-CE1 3.9Å; L303-Y305 HydrophobicContact CD1-CE1 4.32Å; L303-Y305 WeakPolarHBondContact CD1-OH 3.48Å; Y305-Q324 HydrophobicContact CD1-CB 3.81Å; Y305-Q324 HydrophobicContact CD2-CB 3.67Å; Y305-Q324 HydrophobicContact CE1-CB 4.03Å; Y305-Q324 HydrophobicContact CE2-CB 3.86Å; Y305-Q324 HydrophobicContact CG-CB 3.64Å; Y305-H325 PolarHBondContact O-ND1 3.42Å; Y305-F328 HydrophobicContact CD2-CB 4.2Å; Y305-F328 HydrophobicContact CE2-CB 4.49Å
306	V	95	Very high	94.8	Very high	128 Å²	128	85.9 Å²	85.9	78%	0.776	43%	0.431	S	S	*	.			trans	-105.7	142	174	-176.9	0	0	0	0	109.4
307	C	97.1	Very high	94.7	Very high	25 Å²	25	90.4 Å²	90.4	17%	0.169	45%	0.446	C	S	.	.			trans	-83	146.1	172.7	-160.2	0	0	0	0	111.1	E309 C323 H325	C307-E309 PolarHBondContact SG-N 2.96Å; C307-E309 PolarHBondContact SG-O 2.72Å; C307-E309 VanDerWaalsContact SG-O 3.37Å; C307-C323 VanDerWaalsContact SG-SG 3.61Å; C307-H325 HydrophobicContact CB-CB 4.23Å
308	R	94.9	Very high	94.6	Very high	249 Å²	249	94.6 Å²	94.6	94%	0.94	46%	0.462	S	S	*	.	S	Bend	trans	-99.1	8.3	172.1	-61.4	-176.6	179.8	-177.1	-1.9	113.1
309	E	92.6	Very high	94.5	Very high	86 Å²	86	99.3 Å²	99.3	40%	0.402	48%	0.482	S	S	.	.	S	Bend	trans	-138.8	-173.2	-177.9	-60.8	172.5	-159.3	0	0	107.1	C307 G311 C313 R322	C307-E309 PolarHBondContact SG-N 2.96Å; C307-E309 PolarHBondContact SG-O 2.72Å; C307-E309 VanDerWaalsContact SG-O 3.37Å; E309-G311 PolarHBondContact O-N 3.14Å; E309-C313 VanDerWaalsContact CD-SG 3.54Å; E309-C313 PolarHBondContact OE2-SG 3.14Å; E309-R322 IonicContact OE1-CZ 3.8Å; E309-R322 VanDerWaalsContact OE1-CZ 3.27Å; E309-R322 IonicContact OE1-NE 3.76Å; E309-R322 PolarHBondContact OE1-NE 2.69Å; E309-R322 IonicContact OE1-NH2 3.12Å; E309-R322 PolarHBondContact OE1-NH2 2.75Å; E309-R322 IonicContact OE2-NH2 3.51Å
310	S	93.8	Very high	94.5	Very high	87 Å²	87	99.9 Å²	99.9	61%	0.608	48%	0.48	S	S	*	.	S	Bend	trans	-66.3	23.2	-175.9	60.7	0	0	0	0	116.8	Q312	S310-Q312 VanDerWaalsContact O-CD 3.24Å; S310-Q312 VanDerWaalsContact O-CG 3.32Å; S310-Q312 WeakPolarHBondContact O-CG 3.42Å; S310-Q312 PolarHBondContact O-N 3.22Å; S310-Q312 VanDerWaalsContact O-N 3.14Å; S310-Q312 PolarHBondContact O-NE2 3.34Å; S310-Q312 PolarHBondContact OG-OE1 3.37Å
311	G	93.7	Very high	94.6	Very high	31 Å²	31	102.5 Å²	102.5	32%	0.32	50%	0.503	S	S	.	.	S	Bend	trans	71	-0.5	-174.5	0	0	0	0	0	115	E309 C326	E309-G311 PolarHBondContact O-N 3.14Å; G311-C326 PolarHBondContact O-SG 3.05Å
312	Q	95.6	Very high	94.8	Very high	157 Å²	157	103 Å²	103	73%	0.734	50%	0.5	S	S	*	.			trans	-109.6	20.9	-167.4	-64	145.6	2.3	0	0	113.9	S310	S310-Q312 VanDerWaalsContact O-CD 3.24Å; S310-Q312 VanDerWaalsContact O-CG 3.32Å; S310-Q312 WeakPolarHBondContact O-CG 3.42Å; S310-Q312 PolarHBondContact O-N 3.22Å; S310-Q312 VanDerWaalsContact O-N 3.14Å; S310-Q312 PolarHBondContact O-NE2 3.34Å; S310-Q312 PolarHBondContact OG-OE1 3.37Å
313	C	96.6	Very high	95.2	Very high	10 Å²	10	95.7 Å²	95.7	7%	0.068	47%	0.468	C	S	.	.			trans	-60.8	131.3	-174.1	-53.2	0	0	0	0	112.8	E309 V315 C323 C326	E309-C313 VanDerWaalsContact CD-SG 3.54Å; E309-C313 PolarHBondContact OE2-SG 3.14Å; C313-V315 PolarHBondContact O-N 2.95Å; C313-C323 HydrophobicContact CB-CB 3.75Å; C313-C326 HydrophobicContact CB-CB 3.87Å; C313-C326 VanDerWaalsContact CB-SG 3.59Å; C313-C326 PolarHBondContact N-SG 3.21Å; C313-C326 VanDerWaalsContact N-SG 3.39Å
314	P	96	Very high	95.4	Very high	82 Å²	82	97.3 Å²	97.3	53%	0.532	47%	0.474	S	S	.	.			trans	-70.5	125.9	-175	26.7	-34.9	0	0	0	113.3	D316	P314-D316 PolarHBondContact O-N 2.82Å
315	V	97	Very high	95.7	Very high	26 Å²	26	93.5 Å²	93.5	16%	0.158	45%	0.447	C	S	.	.			trans	-97.3	78.4	-176.3	-170	0	0	0	0	110.9	I273 C274 C313 R320 R327 Q330	I273-V315 HydrophobicContact CG2-CG1 4.32Å; I273-V315 WeakPolarHBondContact O-CG1 3.37Å; C274-V315 WeakPolarHBondContact CA-O 3.42Å; C274-V315 HydrophobicContact CB-CG1 4.21Å; C313-V315 PolarHBondContact O-N 2.95Å; V315-R320 HydrophobicContact CG1-CB 3.98Å; V315-R327 HydrophobicContact CG1-CB 4.37Å; V315-R327 HydrophobicContact CG1-CG 4.02Å; V315-R327 HydrophobicContact CG2-CB 4.49Å; V315-Q330 HydrophobicContact CB-CG 4.34Å; V315-Q330 HydrophobicContact CG2-CB 4Å; V315-Q330 HydrophobicContact CG2-CG 4.32Å
316	D	96.4	Very high	95.8	Very high	48 Å²	48	92 Å²	92	26%	0.257	44%	0.442	S	S	.	.			trans	-101.7	168.2	175.1	78.4	50.4	0	0	0	113.2	C274 P314 R318 K319 R320	C274-D316 CarbonylContact O-C 3.55Å; P314-D316 PolarHBondContact O-N 2.82Å; D316-R318 PolarHBondContact O-N 3.29Å; D316-R318 VanDerWaalsContact O-N 3.09Å; D316-R318 WeakPolarHBondContact OD1-CA 3.5Å; D316-R318 WeakPolarHBondContact OD1-CB 3.48Å; D316-R318 PolarHBondContact OD1-N 3.01Å; D316-K319 PolarHBondContact O-N 3.33Å; D316-K319 VanDerWaalsContact O-N 3.16Å; D316-K319 PolarHBondContact OD1-N 3.27Å; D316-K319 VanDerWaalsContact OD2-CD 3.22Å; D316-K319 WeakPolarHBondContact OD2-CD 3.2Å; D316-K319 VanDerWaalsContact OD2-CE 3.27Å; D316-K319 WeakPolarHBondContact OD2-CE 3.35Å; D316-K319 WeakPolarHBondContact OD2-CG 3.45Å; D316-K319 IonicContact OD2-NZ 2.71Å; D316-K319 PolarHBondContact OD2-NZ 2.92Å; D316-R320 VanDerWaalsContact O-CB 3.24Å; D316-R320 WeakPolarHBondContact O-CB 3.43Å; D316-R320 PolarHBondContact O-N 2.89Å
317	R	95.2	Very high	95.9	Very high	163 Å²	163	86.7 Å²	86.7	62%	0.615	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.9	-178.6	175.1	177.1	170.3	-174.4	-3.4	113.6	C274 D276	C274-R317 WeakPolarHBondContact O-CA 3.47Å; C274-R317 PolarHBondContact O-N 3.32Å; D276-R317 HydrophobicContact CB-CB 4.3Å; D276-R317 HydrophobicContact CB-CG 4Å; D276-R317 WeakPolarHBondContact OD1-CD 3.44Å; D276-R317 IonicContact OD1-CZ 2.68Å; D276-R317 IonicContact OD1-NE 2.67Å; D276-R317 PolarHBondContact OD1-NE 2.8Å
318	R	95.1	Very high	96	Very high	228 Å²	228	86.6 Å²	86.6	86%	0.86	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-35.4	-179.9	-59.3	-178.2	179.1	-175.2	-0.1	112	D316	D316-R318 PolarHBondContact O-N 3.29Å; D316-R318 VanDerWaalsContact O-N 3.09Å; D316-R318 WeakPolarHBondContact OD1-CA 3.5Å; D316-R318 WeakPolarHBondContact OD1-CB 3.48Å; D316-R318 PolarHBondContact OD1-N 3.01Å
319	K	93.6	Very high	96.1	Very high	101 Å²	101	78.9 Å²	78.9	44%	0.439	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-5.2	-171.9	-59.6	-176.9	-156.1	122.5	0	115.7	D316 T321 R322	D316-K319 PolarHBondContact O-N 3.33Å; D316-K319 VanDerWaalsContact O-N 3.16Å; D316-K319 PolarHBondContact OD1-N 3.27Å; D316-K319 VanDerWaalsContact OD2-CD 3.22Å; D316-K319 WeakPolarHBondContact OD2-CD 3.2Å; D316-K319 VanDerWaalsContact OD2-CE 3.27Å; D316-K319 WeakPolarHBondContact OD2-CE 3.35Å; D316-K319 WeakPolarHBondContact OD2-CG 3.45Å; D316-K319 IonicContact OD2-NZ 2.71Å; D316-K319 PolarHBondContact OD2-NZ 2.92Å; K319-T321 PolarHBondContact O-N 2.6Å; K319-R322 WeakPolarHBondContact O-CB 3.28Å; K319-R322 PolarHBondContact O-N 2.81Å
320	R	95.5	Very high	96.3	Very high	46 Å²	46	77.8 Å²	77.8	17%	0.174	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	2.3	175.7	66.5	-179.9	-177.9	-164.3	-6.3	116.2	C274 D276 C288 V315 D316 R327	C274-R320 HydrophobicContact CB-CB 4.35Å; C274-R320 PolarHBondContact SG-NH1 3.18Å; D276-R320 VanDerWaalsContact CB-NH1 3.34Å; D276-R320 IonicContact OD2-CZ 3.68Å; D276-R320 IonicContact OD2-NH1 2.8Å; D276-R320 PolarHBondContact OD2-NH1 3.39Å; D276-R320 IonicContact OD2-NH2 3.25Å; D276-R320 PolarHBondContact OD2-NH2 3.38Å; C288-R320 PolarHBondContact SG-NH1 2.98Å; V315-R320 HydrophobicContact CG1-CB 3.98Å; D316-R320 VanDerWaalsContact O-CB 3.24Å; D316-R320 WeakPolarHBondContact O-CB 3.43Å; D316-R320 PolarHBondContact O-N 2.89Å; R320-R327 WeakPolarHBondContact O-CD 3.22Å; R320-R327 PolarHBondContact O-NH1 3.1Å
321	T	95.5	Very high	96.6	Very high	111 Å²	111	73.7 Å²	73.7	68%	0.681	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-9.3	172	44.8	0	0	0	0	113.3	K319	K319-T321 PolarHBondContact O-N 2.6Å
322	R	95.4	Very high	96.8	Very high	171 Å²	171	74.4 Å²	74.4	65%	0.645	34%	0.342	S	S	*	.	S	Bend	trans	-66.5	-41.1	-179.4	177.3	176.8	171.3	144.3	-8.1	112.9	E309 K319	E309-R322 IonicContact OE1-CZ 3.8Å; E309-R322 VanDerWaalsContact OE1-CZ 3.27Å; E309-R322 IonicContact OE1-NE 3.76Å; E309-R322 PolarHBondContact OE1-NE 2.69Å; E309-R322 IonicContact OE1-NH2 3.12Å; E309-R322 PolarHBondContact OE1-NH2 2.75Å; E309-R322 IonicContact OE2-NH2 3.51Å; K319-R322 WeakPolarHBondContact O-CB 3.28Å; K319-R322 PolarHBondContact O-N 2.81Å
323	C	97.6	Very high	96.9	Very high	19 Å²	19	70.9 Å²	70.9	13%	0.128	34%	0.339	C	S	.	.			trans	-134.9	124.3	178	-175.1	0	0	0	0	110.2	C307 C313 C326 R327	C307-C323 VanDerWaalsContact SG-SG 3.61Å; C313-C323 HydrophobicContact CB-CB 3.75Å; C323-C326 HydrophobicContact CB-CB 4.34Å; C323-C326 PolarHBondContact SG-SG 2.99Å; C323-R327 WeakPolarHBondContact O-CB 3.45Å
324	Q	97.8	Very high	96.9	Very high	104 Å²	104	75.3 Å²	75.3	49%	0.486	36%	0.357	S	S	.	.	H	α-helix	trans	-79.6	-37.4	177.5	-67.1	173.5	-80.7	0	0	111.6	F294 Y305 R327 F328	F294-Q324 HydrophobicContact CE2-CB 4.19Å; F294-Q324 HydrophobicContact CE2-CG 4.24Å; F294-Q324 HydrophobicContact CZ-CB 4.35Å; F294-Q324 WeakPolarHBondContact CZ-O 3.25Å; Y305-Q324 HydrophobicContact CD1-CB 3.81Å; Y305-Q324 HydrophobicContact CD2-CB 3.67Å; Y305-Q324 HydrophobicContact CE1-CB 4.03Å; Y305-Q324 HydrophobicContact CE2-CB 3.86Å; Y305-Q324 HydrophobicContact CG-CB 3.64Å; Q324-R327 PolarHBondContact O-N 3.07Å; Q324-F328 PolarHBondContact O-N 3.34Å
325	H	98.2	Very high	97	Very high	53 Å²	53	73.3 Å²	73.3	25%	0.245	35%	0.352	C	S	.	.	H	α-helix	trans	-56	-63.9	176.4	175.9	93.1	0	0	0	111.5	Y305 C307 R327 F328 E329	Y305-H325 PolarHBondContact O-ND1 3.42Å; C307-H325 HydrophobicContact CB-CB 4.23Å; H325-R327 PolarHBondContact O-N 3.41Å; H325-R327 VanDerWaalsContact O-N 3.07Å; H325-F328 PolarHBondContact O-N 2.99Å; H325-E329 PolarHBondContact O-N 3.26Å
326	C	98.2	Very high	97.1	Very high	7 Å²	7	72.3 Å²	72.3	5%	0.047	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-28.3	-178.7	-53.4	0	0	0	0	112.9	G311 C313 C323 Q330	G311-C326 PolarHBondContact O-SG 3.05Å; C313-C326 HydrophobicContact CB-CB 3.87Å; C313-C326 VanDerWaalsContact CB-SG 3.59Å; C313-C326 PolarHBondContact N-SG 3.21Å; C313-C326 VanDerWaalsContact N-SG 3.39Å; C323-C326 HydrophobicContact CB-CB 4.34Å; C323-C326 PolarHBondContact SG-SG 2.99Å; C326-Q330 WeakPolarHBondContact O-CB 3.05Å; C326-Q330 PolarHBondContact O-N 3.46Å
327	R	98.4	Very high	97.1	Very high	17 Å²	17	75.1 Å²	75.1	6%	0.064	36%	0.355	C	S	.	.	H	α-helix	trans	-71	-39.7	173.6	-172	-170.6	-169.7	169.2	-10.8	112.5	G290 C291 F294 V315 R320 C323 Q324 H325 Q330 C331	G290-R327 PolarHBondContact O-NH2 2.99Å; C291-R327 PolarHBondContact SG-NH2 3.38Å; F294-R327 HydrophobicContact CD1-CG 3.95Å; F294-R327 HydrophobicContact CE1-CB 4Å; F294-R327 HydrophobicContact CE1-CG 3.67Å; F294-R327 HydrophobicContact CZ-CB 4.15Å; F294-R327 HydrophobicContact CZ-CG 4.21Å; V315-R327 HydrophobicContact CG1-CB 4.37Å; V315-R327 HydrophobicContact CG1-CG 4.02Å; V315-R327 HydrophobicContact CG2-CB 4.49Å; R320-R327 WeakPolarHBondContact O-CD 3.22Å; R320-R327 PolarHBondContact O-NH1 3.1Å; C323-R327 WeakPolarHBondContact O-CB 3.45Å; Q324-R327 PolarHBondContact O-N 3.07Å; H325-R327 PolarHBondContact O-N 3.41Å; H325-R327 VanDerWaalsContact O-N 3.07Å; R327-Q330 PolarHBondContact O-N 2.96Å; R327-C331 PolarHBondContact O-N 2.79Å; R327-C331 PolarHBondContact O-SG 2.91Å
328	F	98.3	Very high	97.1	Very high	22 Å²	22	72.6 Å²	72.6	10%	0.096	35%	0.349	C	S	.	.	H	α-helix	trans	-70.5	-44.7	177.9	-170.1	-118.1	0	0	0	111	F294 F295 T298 V299 Y305 Q324 H325 Q330 C331 L332	F294-F328 HydrophobicContact CE1-CB 3.96Å; F294-F328 HydrophobicContact CE1-CD2 4.2Å; F294-F328 HydrophobicContact CZ-CB 4.03Å; F295-F328 AromaticContact CD2-CD2 3.9Å; F295-F328 HydrophobicContact CD2-CD2 3.9Å; F295-F328 AromaticContact CD2-CE2 3.53Å; F295-F328 HydrophobicContact CD2-CE2 3.53Å; F295-F328 HydrophobicContact CE2-CD2 4.17Å; F295-F328 AromaticContact CE2-CE2 3.52Å; F295-F328 HydrophobicContact CE2-CE2 3.52Å; F295-F328 HydrophobicContact CE2-CZ 4.22Å; F295-F328 HydrophobicContact CG-CE2 4.48Å; F295-F328 HydrophobicContact CZ-CE2 4.46Å; T298-F328 HydrophobicContact CG2-CD1 4.2Å; T298-F328 HydrophobicContact CG2-CD2 3.54Å; T298-F328 HydrophobicContact CG2-CE1 4.11Å; T298-F328 HydrophobicContact CG2-CE2 3.46Å; T298-F328 VanDerWaalsContact CG2-CE2 3.46Å; T298-F328 HydrophobicContact CG2-CG 3.91Å; T298-F328 HydrophobicContact CG2-CZ 3.75Å; V299-F328 HydrophobicContact CG2-CE2 4.19Å; V299-F328 HydrophobicContact CG2-CZ 4.25Å; Y305-F328 HydrophobicContact CD2-CB 4.2Å; Y305-F328 HydrophobicContact CE2-CB 4.49Å; Q324-F328 PolarHBondContact O-N 3.34Å; H325-F328 PolarHBondContact O-N 2.99Å; F328-Q330 VanDerWaalsContact C-N 3.3Å; F328-Q330 PolarHBondContact O-N 2.88Å; F328-C331 WeakPolarHBondContact O-CA 3.13Å; F328-C331 VanDerWaalsContact O-CB 3.28Å; F328-C331 WeakPolarHBondContact O-CB 3.39Å; F328-C331 PolarHBondContact O-N 3.08Å; F328-L332 HydrophobicContact CD1-CD1 4.03Å; F328-L332 HydrophobicContact CE1-CD1 3.81Å; F328-L332 HydrophobicContact CE1-CG 4.4Å; F328-L332 HydrophobicContact CZ-CD1 4.35Å; F328-L332 HydrophobicContact CZ-CD2 4.44Å; F328-L332 WeakPolarHBondContact O-CG 3.3Å; F328-L332 PolarHBondContact O-N 3.27Å
329	E	97.6	Very high	97.1	Very high	88 Å²	88	68.1 Å²	68.1	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-41.4	171.5	-63.4	-43.9	114.5	0	0	111.4	H325 C331 L332 A333	H325-E329 PolarHBondContact O-N 3.26Å; E329-C331 VanDerWaalsContact C-N 3.3Å; E329-C331 PolarHBondContact O-N 3.06Å; E329-L332 PolarHBondContact O-N 2.99Å; E329-A333 VanDerWaalsContact O-CB 3.26Å; E329-A333 WeakPolarHBondContact O-CB 3.43Å; E329-A333 PolarHBondContact O-N 3.3Å
330	Q	97.6	Very high	97.1	Very high	63 Å²	63	65.4 Å²	65.4	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-31.6	174.3	-173	65.1	107.8	0	0	113	I273 V315 C326 R327 F328 K334	I273-Q330 HydrophobicContact CG2-CB 4.44Å; I273-Q330 HydrophobicContact CG2-CG 4.06Å; V315-Q330 HydrophobicContact CB-CG 4.34Å; V315-Q330 HydrophobicContact CG2-CB 4Å; V315-Q330 HydrophobicContact CG2-CG 4.32Å; C326-Q330 WeakPolarHBondContact O-CB 3.05Å; C326-Q330 PolarHBondContact O-N 3.46Å; R327-Q330 PolarHBondContact O-N 2.96Å; F328-Q330 VanDerWaalsContact C-N 3.3Å; F328-Q330 PolarHBondContact O-N 2.88Å; Q330-K334 WeakPolarHBondContact O-CB 3.48Å; Q330-K334 VanDerWaalsContact O-CG 3.24Å; Q330-K334 WeakPolarHBondContact O-CG 3.42Å; Q330-K334 PolarHBondContact O-N 3.02Å
331	C	98.4	Very high	97	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65	-48.6	171	-73.5	0	0	0	0	111.4	F295 R327 F328 E329 K334 G335 M336	F295-C331 HydrophobicContact CD2-CB 3.73Å; F295-C331 HydrophobicContact CE2-CB 4.15Å; R327-C331 PolarHBondContact O-N 2.79Å; R327-C331 PolarHBondContact O-SG 2.91Å; F328-C331 WeakPolarHBondContact O-CA 3.13Å; F328-C331 VanDerWaalsContact O-CB 3.28Å; F328-C331 WeakPolarHBondContact O-CB 3.39Å; F328-C331 PolarHBondContact O-N 3.08Å; E329-C331 VanDerWaalsContact C-N 3.3Å; E329-C331 PolarHBondContact O-N 3.06Å; C331-K334 PolarHBondContact O-N 2.96Å; C331-G335 PolarHBondContact O-N 3.43Å; C331-M336 HydrophobicContact CB-CB 4.07Å; C331-M336 HydrophobicContact CB-CG 4.01Å; C331-M336 HydrophobicContact CB-SD 3.64Å; C331-M336 VanDerWaalsContact O-CB 3.31Å; C331-M336 WeakPolarHBondContact O-CB 3.37Å; C331-M336 PolarHBondContact O-N 2.96Å; C331-M336 VanDerWaalsContact SG-SD 3.63Å
332	L	98	Very high	96.7	Very high	47 Å²	47	64.9 Å²	64.9	25%	0.246	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-48.8	179.9	-64.1	176.3	0	0	0	111.3	F295 F328 E329 K334 G335 K338	F295-L332 HydrophobicContact CE2-CD2 3.81Å; F295-L332 HydrophobicContact CZ-CD2 4.17Å; F328-L332 HydrophobicContact CD1-CD1 4.03Å; F328-L332 HydrophobicContact CE1-CD1 3.81Å; F328-L332 HydrophobicContact CE1-CG 4.4Å; F328-L332 HydrophobicContact CZ-CD1 4.35Å; F328-L332 HydrophobicContact CZ-CD2 4.44Å; F328-L332 WeakPolarHBondContact O-CG 3.3Å; F328-L332 PolarHBondContact O-N 3.27Å; E329-L332 PolarHBondContact O-N 2.99Å; L332-K334 PolarHBondContact O-N 2.85Å; L332-K334 VanDerWaalsContact O-N 3.15Å; L332-G335 WeakPolarHBondContact O-CA 3.46Å; L332-G335 PolarHBondContact O-N 3.24Å; L332-K338 HydrophobicContact CD2-CD 4.37Å; L332-K338 HydrophobicContact CD2-CG 3.96Å
333	A	97.7	Very high	96	Very high	82 Å²	82	63.8 Å²	63.8	68%	0.678	33%	0.329	S	S	*	.	H	α-helix	trans	-65.6	-14.3	178.3	0	0	0	0	0	114.5	E329	E329-A333 VanDerWaalsContact O-CB 3.26Å; E329-A333 WeakPolarHBondContact O-CB 3.43Å; E329-A333 PolarHBondContact O-N 3.3Å
334	K	97.8	Very high	95.1	Very high	103 Å²	103	67.3 Å²	67.3	45%	0.448	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	0.3	168.6	-65.9	-60.4	-177.2	-164.2	0	113.5	V272 I273 V285 Q330 C331 L332	V272-K334 HydrophobicContact CG2-CB 3.94Å; V272-K334 HydrophobicContact CG2-CG 4.23Å; V272-K334 WeakPolarHBondContact O-CE 3.27Å; I273-K334 HydrophobicContact CG1-CB 4.33Å; I273-K334 HydrophobicContact CG1-CG 4.42Å; V285-K334 WeakPolarHBondContact CG1-O 3.45Å; Q330-K334 WeakPolarHBondContact O-CB 3.48Å; Q330-K334 VanDerWaalsContact O-CG 3.24Å; Q330-K334 WeakPolarHBondContact O-CG 3.42Å; Q330-K334 PolarHBondContact O-N 3.02Å; C331-K334 PolarHBondContact O-N 2.96Å; L332-K334 PolarHBondContact O-N 2.85Å; L332-K334 VanDerWaalsContact O-N 3.15Å
335	G	97.6	Very high	94.2	Very high	40 Å²	40	71.6 Å²	71.6	41%	0.412	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	22.4	176.3	0	0	0	0	0	115.6	V285 C331 L332 K337	V285-G335 WeakPolarHBondContact CG1-O 3.43Å; C331-G335 PolarHBondContact O-N 3.43Å; L332-G335 WeakPolarHBondContact O-CA 3.46Å; L332-G335 PolarHBondContact O-N 3.24Å; G335-K337 PolarHBondContact O-N 3.46Å
336	M	98.2	Very high	92.7	Very high	6 Å²	6	76.8 Å²	76.8	3%	0.03	38%	0.38	C	S	.	.			trans	-68.7	118.1	172	-76.3	-161.2	161.1	0	0	111.4	I273 Y283 V285 S287 C291 F295 C331	I273-M336 HydrophobicContact CD1-CE 3.85Å; Y283-M336 CarbonylContact O-C 3.57Å; Y283-M336 WeakPolarHBondContact O-CA 3.44Å; V285-M336 HydrophobicContact CG1-CG 4.26Å; V285-M336 HydrophobicContact CG2-CE 3.47Å; V285-M336 VanDerWaalsContact CG2-CE 3.47Å; V285-M336 HydrophobicContact CG2-CG 3.45Å; V285-M336 VanDerWaalsContact CG2-CG 3.45Å; V285-M336 HydrophobicContact CG2-SD 4.32Å; S287-M336 WeakPolarHBondContact OG-CE 3.29Å; C291-M336 HydrophobicContact CB-CE 4.47Å; F295-M336 HydrophobicContact CB-SD 3.7Å; F295-M336 HydrophobicContact CD1-CB 4.35Å; F295-M336 HydrophobicContact CD1-SD 4.14Å; F295-M336 HydrophobicContact CD2-CB 3.87Å; F295-M336 HydrophobicContact CD2-CG 4.41Å; F295-M336 HydrophobicContact CD2-SD 3.7Å; F295-M336 HydrophobicContact CE1-CB 4.03Å; F295-M336 HydrophobicContact CE2-CB 3.5Å; F295-M336 HydrophobicContact CE2-SD 4.35Å; F295-M336 HydrophobicContact CG-CB 4.28Å; F295-M336 HydrophobicContact CG-SD 3.58Å; F295-M336 VanDerWaalsContact CG-SD 3.58Å; F295-M336 HydrophobicContact CZ-CB 3.59Å; F295-M336 WeakPolarHBondContact CZ-O 3.45Å; C331-M336 HydrophobicContact CB-CB 4.07Å; C331-M336 HydrophobicContact CB-CG 4.01Å; C331-M336 HydrophobicContact CB-SD 3.64Å; C331-M336 VanDerWaalsContact O-CB 3.31Å; C331-M336 WeakPolarHBondContact O-CB 3.37Å; C331-M336 PolarHBondContact O-N 2.96Å; C331-M336 VanDerWaalsContact SG-SD 3.63Å
337	K	96.9	Very high	90.9	Very high	106 Å²	106	87.6 Å²	87.6	46%	0.461	42%	0.42	S	S	.	.			trans	-81.6	112.8	-176.9	-78.3	180	158.6	-76.3	0	111.8	Y283 F295 G335 E339 A340	Y283-K337 PolarHBondContact O-N 2.93Å; F295-K337 WeakPolarHBondContact CE1-O 3.32Å; G335-K337 PolarHBondContact O-N 3.46Å; K337-E339 VanDerWaalsContact C-N 3.28Å; K337-E339 VanDerWaalsContact C-OE2 3.23Å; K337-E339 VanDerWaalsContact CA-OE2 3.27Å; K337-E339 WeakPolarHBondContact CA-OE2 3.3Å; K337-E339 WeakPolarHBondContact CB-OE1 3.36Å; K337-E339 VanDerWaalsContact CB-OE2 3.24Å; K337-E339 WeakPolarHBondContact CB-OE2 3.48Å; K337-E339 VanDerWaalsContact CD-OE1 3.26Å; K337-E339 WeakPolarHBondContact CD-OE1 3.02Å; K337-E339 WeakPolarHBondContact CE-OE1 3.25Å; K337-E339 VanDerWaalsContact CG-OE1 3.23Å; K337-E339 WeakPolarHBondContact CG-OE1 3.22Å; K337-E339 IonicContact NZ-OE1 3.02Å; K337-E339 PolarHBondContact NZ-OE1 2.83Å; K337-E339 PolarHBondContact O-N 3.12Å; K337-A340 HydrophobicContact CB-CB 3.81Å; K337-A340 WeakPolarHBondContact O-CB 3.33Å; K337-A340 PolarHBondContact O-N 3.19Å
338	K	96.3	Very high	88.8	Confident	111 Å²	111	95.1 Å²	95.1	48%	0.483	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-59.9	-42.3	176.7	-65.3	-177.6	-176.6	177.3	0	110.4	F295 V299 L332 A340 V341	F295-K338 HydrophobicContact CZ-CG 4Å; V299-K338 HydrophobicContact CG2-CB 4.4Å; V299-K338 HydrophobicContact CG2-CG 4.22Å; L332-K338 HydrophobicContact CD2-CD 4.37Å; L332-K338 HydrophobicContact CD2-CG 3.96Å; K338-A340 PolarHBondContact O-N 3.18Å; K338-V341 WeakPolarHBondContact O-CB 3.34Å; K338-V341 WeakPolarHBondContact O-CG2 3.4Å; K338-V341 PolarHBondContact O-N 2.7Å
339	E	93.6	Very high	86.6	Confident	133 Å²	133	99.4 Å²	99.4	62%	0.621	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-65.4	-15.7	179.1	77.7	-75.7	-169.6	0	0	114.1	K337 V341	K337-E339 VanDerWaalsContact C-N 3.28Å; K337-E339 VanDerWaalsContact C-OE2 3.23Å; K337-E339 VanDerWaalsContact CA-OE2 3.27Å; K337-E339 WeakPolarHBondContact CA-OE2 3.3Å; K337-E339 WeakPolarHBondContact CB-OE1 3.36Å; K337-E339 VanDerWaalsContact CB-OE2 3.24Å; K337-E339 WeakPolarHBondContact CB-OE2 3.48Å; K337-E339 VanDerWaalsContact CD-OE1 3.26Å; K337-E339 WeakPolarHBondContact CD-OE1 3.02Å; K337-E339 WeakPolarHBondContact CE-OE1 3.25Å; K337-E339 VanDerWaalsContact CG-OE1 3.23Å; K337-E339 WeakPolarHBondContact CG-OE1 3.22Å; K337-E339 IonicContact NZ-OE1 3.02Å; K337-E339 PolarHBondContact NZ-OE1 2.83Å; K337-E339 PolarHBondContact O-N 3.12Å; E339-V341 VanDerWaalsContact C-N 3.27Å; E339-V341 PolarHBondContact O-N 3.44Å
340	A	94.1	Very high	84	Confident	45 Å²	45	100.6 Å²	100.6	37%	0.372	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-82.8	-1.3	174	0	0	0	0	0	113.2	Y283 K337 K338 Q342	Y283-A340 HydrophobicContact CD1-CB 4.01Å; Y283-A340 WeakPolarHBondContact CD1-O 3.43Å; Y283-A340 WeakPolarHBondContact CE1-O 3.45Å; K337-A340 HydrophobicContact CB-CB 3.81Å; K337-A340 WeakPolarHBondContact O-CB 3.33Å; K337-A340 PolarHBondContact O-N 3.19Å; K338-A340 PolarHBondContact O-N 3.18Å; A340-Q342 PolarHBondContact O-N 3.42Å
341	V	94	Very high	81.5	Confident	19 Å²	19	102.7 Å²	102.7	12%	0.115	53%	0.525	C	S	.	.	S	Bend	trans	-91.3	92.8	176.7	-175.9	0	0	0	0	109.3	Y283 F295 K296 V299 R300 K338 E339	Y283-V341 HydrophobicContact CD1-CG2 3.69Å; Y283-V341 HydrophobicContact CE1-CB 4.35Å; Y283-V341 HydrophobicContact CE1-CG2 3.71Å; Y283-V341 HydrophobicContact CG-CG2 4.22Å; F295-V341 HydrophobicContact CD1-CG2 3.78Å; F295-V341 HydrophobicContact CE1-CG2 3.68Å; K296-V341 HydrophobicContact CG-CG1 4.08Å; V299-V341 HydrophobicContact CB-CB 4.21Å; V299-V341 HydrophobicContact CB-CG1 4.18Å; V299-V341 HydrophobicContact CB-CG2 4.03Å; V299-V341 HydrophobicContact CG1-CB 3.87Å; V299-V341 HydrophobicContact CG1-CG1 4.13Å; V299-V341 HydrophobicContact CG1-CG2 4.08Å; V299-V341 HydrophobicContact CG2-CG2 4.15Å; R300-V341 HydrophobicContact CG-CG1 4.38Å; R300-V341 VanDerWaalsContact NH1-CG1 3.35Å; K338-V341 WeakPolarHBondContact O-CB 3.34Å; K338-V341 WeakPolarHBondContact O-CG2 3.4Å; K338-V341 PolarHBondContact O-N 2.7Å; E339-V341 VanDerWaalsContact C-N 3.27Å; E339-V341 PolarHBondContact O-N 3.44Å
342	Q	88.2	Confident	79	Confident	127 Å²	127	109.2 Å²	109.2	59%	0.593	56%	0.56	S	S	*	*			trans	-50.3	146.4	170	-67.1	-178.6	-5.3	0	0	111.6	R300 A340	R300-Q342 VanDerWaalsContact CZ-O 3.23Å; R300-Q342 PolarHBondContact NH1-O 3.37Å; R300-Q342 PolarHBondContact NH2-O 2.8Å; A340-Q342 PolarHBondContact O-N 3.42Å
343	E	81.6	Confident	76.5	Confident	147 Å²	147	112.6 Å²	112.6	69%	0.687	59%	0.585	S	S	*	*			trans	-46	163.2	173	-152.3	62	-95.9	0	0	113.9	R300 R345	R300-E343 PolarHBondContact NH2-O 2.85Å; E343-R345 PolarHBondContact O-N 3.01Å
344	E	79.7	Confident	74.1	Confident	93 Å²	93	114.4 Å²	114.4	44%	0.435	59%	0.587	S	S	.	*			trans	-62.5	126.8	161.6	-151.9	70.2	-79.5	0	0	109.7	K296 R300 H346	K296-E344 IonicContact NZ-OE1 2.84Å; R300-E344 WeakPolarHBondContact CD-OE2 3.18Å; R300-E344 IonicContact CZ-OE1 2.69Å; R300-E344 VanDerWaalsContact CZ-OE1 3.27Å; R300-E344 IonicContact NE-OE1 3.2Å; R300-E344 PolarHBondContact NE-OE1 3.27Å; R300-E344 IonicContact NE-OE2 3.59Å; R300-E344 PolarHBondContact NE-OE2 3.27Å; R300-E344 VanDerWaalsContact NE-OE2 3.09Å; R300-E344 IonicContact NH2-OE1 3.27Å; R300-E344 PolarHBondContact NH2-OE1 2.83Å; E344-H346 PolarHBondContact O-CD2 3Å; E344-H346 PolarHBondContact O-N 3.29Å
345	R	77.5	Confident	71.5	Confident	194 Å²	194	114.5 Å²	114.5	73%	0.732	60%	0.599	S	S	*	*			trans	-78.1	83.7	174	-66.2	-172.4	-165.9	178.4	4.4	108	E343 R347	E343-R345 PolarHBondContact O-N 3.01Å; R345-R347 PolarHBondContact O-N 2.87Å
346	H	67.9	Low	69	Low	163 Å²	163	120.8 Å²	120.8	76%	0.755	62%	0.622	S	S	*	*			trans	-54.5	104.4	165.5	-72.7	-99.4	0	0	0	107.5	E344 Q348	E344-H346 PolarHBondContact O-CD2 3Å; E344-H346 PolarHBondContact O-N 3.29Å; H346-Q348 PolarHBondContact O-N 3.19Å
347	R	59.8	Low	66.7	Low	233 Å²	233	127.7 Å²	127.7	88%	0.879	66%	0.657	S	S	*	*			trans	-64.5	115.2	156.5	-70	178.1	177.3	163.8	-2.3	104.2	R345	R345-R347 PolarHBondContact O-N 2.87Å
348	Q	53.3	Low	64.3	Low	176 Å²	176	127.8 Å²	127.8	82%	0.822	67%	0.671	S	S	*	*			trans	-48.3	130	164.4	-75	179.4	-24.7	0	0	107.3	H346 S350	H346-Q348 PolarHBondContact O-N 3.19Å; Q348-S350 PolarHBondContact O-N 2.91Å
349	P	52	Low	61.8	Low	111 Å²	111	131.8 Å²	131.8	72%	0.721	69%	0.689	S	S	*	*			trans	-52	129.4	164.6	-21.6	32.9	0	0	0	106.8	S351	P349-S351 PolarHBondContact O-N 3.47Å
350	S	44.8	Very low	59.4	Low	114 Å²	114	130.5 Å²	130.5	80%	0.797	69%	0.692	S	S	*	*			trans	-74.1	78	178.2	51.3	0	0	0	0	108.9	Q348 N352	Q348-S350 PolarHBondContact O-N 2.91Å; S350-N352 PolarHBondContact O-N 2.86Å
351	S	44.9	Very low	56.7	Low	106 Å²	106	134.5 Å²	134.5	74%	0.741	71%	0.714	S	S	*	*			trans	-72.3	31.1	-179.9	49.4	0	0	0	0	113.4	P349 P353	P349-S351 PolarHBondContact O-N 3.47Å; S351-P353 WeakPolarHBondContact O-CD 3.43Å
352	N	44.7	Very low	54.5	Low	138 Å²	138	142.8 Å²	142.8	74%	0.738	75%	0.749	S	S	*	*			trans	-87.3	99.9	150.6	-80.2	-23.7	0	0	0	106.9	S350 V354	S350-N352 PolarHBondContact O-N 2.86Å; N352-V354 VanDerWaalsContact C-N 3.29Å; N352-V354 PolarHBondContact O-N 3.39Å
353	P	45.1	Very low	52.4	Low	117 Å²	117	141.8 Å²	141.8	76%	0.76	76%	0.756	S	S	*	*			trans	-64.6	95.9	167.2	26.7	-31.3	0	0	0	107.7	S351 P355	S351-P353 WeakPolarHBondContact O-CD 3.43Å; P353-P355 VanDerWaalsContact O-CD 3.22Å; P353-P355 WeakPolarHBondContact O-CD 3.36Å; P353-P355 VanDerWaalsContact O-N 3.09Å
354	V	49.1	Very low	50.5	Low	120 Å²	120	143 Å²	143	73%	0.727	76%	0.761	S	S	*	*			trans	-55.3	117.2	176.4	177.4	0	0	0	0	107.3	N352 L356	N352-V354 VanDerWaalsContact C-N 3.29Å; N352-V354 PolarHBondContact O-N 3.39Å; V354-L356 PolarHBondContact O-N 2.98Å; V354-L356 VanDerWaalsContact O-N 3.08Å
355	P	43	Very low	48.8	Very low	106 Å²	106	148.4 Å²	148.4	69%	0.688	78%	0.783	S	S	*	*			trans	-58.3	121	-177.3	-26.5	35.8	0	0	0	109.7	P353 I357	P353-P355 VanDerWaalsContact O-CD 3.22Å; P353-P355 WeakPolarHBondContact O-CD 3.36Å; P353-P355 VanDerWaalsContact O-N 3.09Å; P355-I357 PolarHBondContact O-N 3.11Å
356	L	43.9	Very low	47	Very low	172 Å²	172	149.3 Å²	149.3	90%	0.901	79%	0.793	S	S	*	*			trans	-70.7	81	175.2	-77.6	171.9	0	0	0	109	V354 S358	V354-L356 PolarHBondContact O-N 2.98Å; V354-L356 VanDerWaalsContact O-N 3.08Å; L356-S358 VanDerWaalsContact C-N 3.34Å; L356-S358 PolarHBondContact O-N 3.33Å
357	I	51.1	Low	45.8	Very low	150 Å²	150	145.1 Å²	145.1	77%	0.769	79%	0.793	S	S	*	*			trans	-63.1	99.6	170.6	-62.1	178.9	0	0	0	107.3	P355 K359	P355-I357 PolarHBondContact O-N 3.11Å; I357-K359 PolarHBondContact O-N 2.91Å
358	S	45.3	Very low	45.1	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	80%	0.795	S	S	*	*			trans	-63.6	103.4	179.2	41.1	0	0	0	0	109.9	L356 P360	L356-S358 VanDerWaalsContact C-N 3.34Å; L356-S358 PolarHBondContact O-N 3.33Å; S358-P360 WeakPolarHBondContact O-CD 3.41Å
359	K	44.2	Very low	44.4	Very low	195 Å²	195	135.8 Å²	135.8	85%	0.848	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-65.5	121.3	169.6	-75.2	-175.8	176.2	178	0	108.7	I357	I357-K359 PolarHBondContact O-N 2.91Å
360	P	44.4	Very low	43.9	Very low	106 Å²	106	142.2 Å²	142.2	69%	0.688	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69	143	-179.8	28.1	-34.6	0	0	0	110.6	S358 K362	S358-P360 WeakPolarHBondContact O-CD 3.41Å; P360-K362 PolarHBondContact O-N 2.65Å
361	P	36.6	Very low	43.6	Very low	128 Å²	128	148.1 Å²	148.1	83%	0.831	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.1	125.1	-178.8	29.7	-33.8	0	0	0	111.1
362	K	47.1	Very low	43.4	Very low	194 Å²	194	147.9 Å²	147.9	84%	0.843	81%	0.805	S	S	*	*			trans	-135.1	116	164.9	-74.9	-165.5	175.1	-177.8	0	112.4	P360	P360-K362 PolarHBondContact O-N 2.65Å
363	S	44.3	Very low	43.2	Very low	106 Å²	106	147.8 Å²	147.8	74%	0.741	81%	0.809	S	S	*	*			trans	-15.9	131.2	163.3	55.2	0	0	0	0	119
364	E	41.5	Very low	42.8	Very low	172 Å²	172	151.7 Å²	151.7	80%	0.804	81%	0.814	S	S	*	*			trans	33.6	119.1	133	-52.5	-169.7	130.4	0	0	120.8
365	K	43.6	Very low	42.2	Very low	207 Å²	207	149.5 Å²	149.5	90%	0.9	82%	0.816	S	S	*	*				-169.3	164.7	106.6	-100	155.6	-170.7	172.1	0	113.4
366	K	40.6	Very low	41.7	Very low	213 Å²	213	151.7 Å²	151.7	93%	0.926	82%	0.822	S	S	*	*			trans	-85.1	155.6	-164.5	-55.5	166.4	-179.6	174.2	0	113.4
367	G	42.7	Very low	41.4	Very low	75 Å²	75	153.5 Å²	153.5	77%	0.773	82%	0.823	S	S	*	*			trans	131.5	114.5	152.4	0	0	0	0	0	116.8
368	P	45.1	Very low	40.6	Very low	139 Å²	139	152.1 Å²	152.1	90%	0.903	83%	0.826	S	S	*	*			trans	-110.9	158.6	-177.2	39.2	-32.4	0	0	0	115.5
369	G	39.4	Very low	40.2	Very low	74 Å²	74	150.6 Å²	150.6	76%	0.763	82%	0.821	S	S	*	*			trans	-162.7	112.5	174.8	0	0	0	0	0	117.5
370	R	40	Very low	39.7	Very low	245 Å²	245	150.3 Å²	150.3	93%	0.925	82%	0.822	S	S	*	*			trans	44.7	99.8	154.6	-65.4	-173.1	173.3	-152.8	-0.5	122.1
371	R	39.9	Very low	39.2	Very low	238 Å²	238	150 Å²	150	90%	0.898	82%	0.823	S	S	*	*				40.8	114.2	104.1	-168.4	-159.1	-68.5	-164.6	-1.5	118.9
372	S	40.4	Very low	39	Very low	101 Å²	101	151.5 Å²	151.5	71%	0.706	82%	0.822	S	S	*	*				164.8	137.6	101.3	75.8	0	0	0	0	117.6
373	T	39	Very low	38.4	Very low	136 Å²	136	148.8 Å²	148.8	83%	0.834	82%	0.821	S	S	*	*			trans	78.4	137.7	141.1	-42.8	0	0	0	0	122.5
374	F	37.4	Very low	37.6	Very low	199 Å²	199	149.2 Å²	149.2	87%	0.873	82%	0.82	S	S	*	*			trans	-70.8	162.7	176.8	-85.7	-118.5	0	0	0	115.3
375	G	36.1	Very low	37.3	Very low	74 Å²	74	148.5 Å²	148.5	76%	0.763	82%	0.821	S	S	*	*			trans	178	93.3	158.6	0	0	0	0	0	114.6
376	N	33.4	Very low	36.5	Very low	153 Å²	153	147.7 Å²	147.7	82%	0.818	82%	0.821	S	S	*	*			trans	-83.4	143.2	177.3	-68	1.8	0	0	0	112.2
377	K	37.5	Very low	36.2	Very low	210 Å²	210	142.9 Å²	142.9	91%	0.913	81%	0.811	S	S	*	*			trans	-143.3	150.9	153.6	-82.8	-159.8	175.2	-175.4	0	112.4
378	S	33.1	Very low	35.7	Very low	120 Å²	120	144.7 Å²	144.7	84%	0.839	81%	0.809	S	S	*	*			trans	-74.5	160.2	-177	-29.6	0	0	0	0	113.9
379	A	38.4	Very low	34.8	Very low	78 Å²	78	145.8 Å²	145.8	65%	0.645	81%	0.808	S	S	*	*				166.3	152.4	111.3	0	0	0	0	0	112
380	E	33.5	Very low	34.7	Very low	188 Å²	188	148.4 Å²	148.4	88%	0.879	80%	0.803	S	S	*	*			trans	42.4	140.7	138.4	-69.2	158.2	-177.4	0	0	120.6
381	S	34.3	Very low	34.3	Very low	101 Å²	101	142.5 Å²	142.5	71%	0.706	79%	0.79	S	S	*	*			cis	-166.8	160.1	14.8	46.7	0	0	0	0	112.9
382	I	32.4	Very low	34	Very low	158 Å²	158	138.6 Å²	138.6	81%	0.81	78%	0.782	S	S	*	*			trans	30.7	120.5	139.9	-50.3	161.2	0	0	0	119.3
383	V	34	Very low	33.6	Very low	137 Å²	137	141.8 Å²	141.8	83%	0.83	79%	0.791	S	S	*	*				-171.2	153	120.5	142.9	0	0	0	0	110.8
384	T	27.4	Very low	33.3	Very low	115 Å²	115	140.6 Å²	140.6	71%	0.706	79%	0.788	S	S	*	*			trans	-58.6	146.2	179.4	-25.4	0	0	0	0	114.8
385	D	35	Very low	33	Very low	157 Å²	157	136.3 Å²	136.3	84%	0.84	78%	0.779	S	S	*	*				-179.5	161.4	116.1	-91.5	-12.4	0	0	0	112.8
386	Q	26.2	Very low	32.9	Very low	190 Å²	190	137.6 Å²	137.6	89%	0.888	77%	0.773	S	S	*	*			trans	-123.2	117.6	-166.3	-173.6	178.9	45.2	0	0	112.2
387	P	35.5	Very low	32.9	Very low	112 Å²	112	135.9 Å²	135.9	73%	0.727	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-90	160.4	174.9	34.7	-33.3	0	0	0	113.2
388	P	32.1	Very low	33.5	Very low	113 Å²	113	126.8 Å²	126.8	73%	0.734	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-90.2	170.1	-166.3	36.1	-38.1	0	0	0	116.1
389	N	26.5	Very low	33.7	Very low	162 Å²	162	125.1 Å²	125.1	87%	0.866	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-74.9	126.2	177.4	-177.8	11.2	0	0	0	112.5
390	I	36.2	Very low	33.9	Very low	130 Å²	130	123.8 Å²	123.8	67%	0.667	70%	0.695	S	S	*	*			trans	-143.7	121.2	179.5	-67.2	-175.4	0	0	0	111.7
391	N	32.1	Very low	33.7	Very low	120 Å²	120	120.3 Å²	120.3	64%	0.642	69%	0.687	S	S	*	*			trans	45.8	112.3	147.5	-60	-1	0	0	0	120.4
392	Q	34.1	Very low	33.7	Very low	156 Å²	156	119.7 Å²	119.7	73%	0.729	68%	0.681	S	S	*	*				86.3	103	86.7	-75.6	169.4	-9.9	0	0	114.3	S394	Q392-S394 PolarHBondContact O-OG 3.45Å
393	D	32	Very low	33.6	Very low	169 Å²	169	118.5 Å²	118.5	90%	0.904	68%	0.681	S	S	*	*			trans	-63	132.5	159.8	-83.7	-54.2	0	0	0	110.3
394	S	31.8	Very low	33.6	Very low	111 Å²	111	118.1 Å²	118.1	78%	0.776	68%	0.679	S	S	*	*			trans	-114.5	76.9	-173.8	-60.4	0	0	0	0	111.4	Q392	Q392-S394 PolarHBondContact O-OG 3.45Å
395	T	32.2	Very low	33.7	Very low	109 Å²	109	118.8 Å²	118.8	67%	0.669	68%	0.683	S	S	*	*			trans	-75.9	146.3	162.9	48.5	0	0	0	0	109.9	N397	T395-N397 VanDerWaalsContact C-N 3.34Å; T395-N397 PolarHBondContact O-N 2.86Å
396	P	33.6	Very low	33.6	Very low	100 Å²	100	119.1 Å²	119.1	65%	0.649	69%	0.685	S	S	*	*			trans	-73.1	87.4	-179.5	29.7	-34.6	0	0	0	110.5
397	N	34.1	Very low	33.6	Very low	117 Å²	117	115.6 Å²	115.6	63%	0.626	68%	0.68	S	S	*	*			trans	-63.6	137.8	174.3	-99.5	-28.9	0	0	0	111.2	T395 S399	T395-N397 VanDerWaalsContact C-N 3.34Å; T395-N397 PolarHBondContact O-N 2.86Å; N397-S399 PolarHBondContact O-N 2.87Å
398	I	48.3	Very low	33.6	Very low	19 Å²	19	117.3 Å²	117.3	10%	0.097	69%	0.688	C	S	.	*			trans	-62.3	123.1	166.4	-75.6	161.3	0	0	0	108.1	I400 L438 L440 Q610 A614	I398-I400 HydrophobicContact CG2-CG1 4.4Å; I398-I400 PolarHBondContact O-N 2.85Å; I398-L438 VanDerWaalsContact CD1-O 3.29Å; I398-L438 WeakPolarHBondContact CD1-O 3.3Å; I398-L438 WeakPolarHBondContact CG1-O 3.28Å; I398-L440 HydrophobicContact CG2-CG 4.33Å; I398-Q610 HydrophobicContact CD1-CB 4.22Å; I398-A614 HydrophobicContact CD1-CB 3.83Å
399	S	38.5	Very low	33.7	Very low	85 Å²	85	120.6 Å²	120.6	59%	0.594	69%	0.693	S	S	*	*			trans	-69	93.1	-177	-58.7	0	0	0	0	111.8	N397 T401	N397-S399 PolarHBondContact O-N 2.87Å; S399-T401 PolarHBondContact O-N 2.95Å
400	I	41.5	Very low	33.8	Very low	51 Å²	51	118.8 Å²	118.8	26%	0.262	69%	0.691	S	S	.	*			trans	-86.5	88.3	172.4	-55.1	179.1	0	0	0	108.8	I398 L440	I398-I400 HydrophobicContact CG2-CG1 4.4Å; I398-I400 PolarHBondContact O-N 2.85Å; I400-L440 HydrophobicContact CD1-CD1 3.91Å; I400-L440 HydrophobicContact CG1-CD1 3.76Å; I400-L440 HydrophobicContact CG1-CG 4.35Å; I400-L440 HydrophobicContact CG2-CD1 4.24Å
401	T	29.9	Very low	33.6	Very low	114 Å²	114	119.2 Å²	119.2	70%	0.699	69%	0.694	S	S	*	*			trans	-103.5	105.6	165.6	52.3	0	0	0	0	109.3	S399 T403	S399-T401 PolarHBondContact O-N 2.95Å; T401-T403 PolarHBondContact O-N 3.19Å
402	P	34.6	Very low	33.6	Very low	89 Å²	89	121.5 Å²	121.5	58%	0.578	70%	0.701	S	S	*	*			trans	-71.5	115.8	170.7	29	-31.8	0	0	0	109.2	T404	P402-T404 PolarHBondContact O-N 3.3Å; P402-T404 VanDerWaalsContact O-N 3.07Å
403	T	30.7	Very low	33.5	Very low	132 Å²	132	119.8 Å²	119.8	81%	0.81	70%	0.701	S	S	*	*			trans	-78.5	92.6	-178.9	-44.9	0	0	0	0	110.8	T401	T401-T403 PolarHBondContact O-N 3.19Å
404	T	32.7	Very low	33.5	Very low	129 Å²	129	120.4 Å²	120.4	79%	0.791	70%	0.695	S	S	*	*			trans	-74.4	131.5	162.9	48.9	0	0	0	0	109.9	P402	P402-T404 PolarHBondContact O-N 3.3Å; P402-T404 VanDerWaalsContact O-N 3.07Å
405	T	30.9	Very low	33.2	Very low	129 Å²	129	120 Å²	120	79%	0.791	69%	0.693	S	S	*	*			trans	-70.4	131	-177.8	-24.1	0	0	0	0	111.8
406	D	32.6	Very low	33.2	Very low	165 Å²	165	123.7 Å²	123.7	88%	0.882	70%	0.702	S	S	*	*			trans	-148.1	139.7	158.1	-125.6	-31.1	0	0	0	110
407	C	25.2	Very low	33.1	Very low	115 Å²	115	123.5 Å²	123.5	78%	0.777	70%	0.703	S	S	*	*			trans	-110.1	118.6	-165	-74.5	0	0	0	0	112.7
408	V	36.3	Very low	32.9	Very low	148 Å²	148	123.3 Å²	123.3	90%	0.897	71%	0.711	S	S	*	*			trans	-132.3	141.7	165.9	-174.9	0	0	0	0	110.1
409	Q	32.9	Very low	32.1	Very low	183 Å²	183	129.2 Å²	129.2	86%	0.855	75%	0.748	S	S	*	*			trans	-77.7	150.6	-170	-64.9	174.8	-20.5	0	0	113.5
410	P	29.9	Very low	31.5	Very low	124 Å²	124	131.2 Å²	131.2	81%	0.805	76%	0.757	S	S	*	*			trans	-86	142.4	176	34.3	-33.9	0	0	0	112.6
411	N	32.3	Very low	30.9	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	78%	0.782	S	S	*	*			trans	-156.1	115.2	157.8	-124.6	-28	0	0	0	112.7
412	Q	30.5	Very low	31	Very low	168 Å²	168	135.6 Å²	135.6	79%	0.785	78%	0.783	S	S	*	*			trans	39.2	129.8	149.2	-58.5	174.2	52.3	0	0	121.2
413	V	33.5	Very low	30.7	Very low	120 Å²	120	139.8 Å²	139.8	73%	0.727	80%	0.795	S	S	*	*				175.4	133.7	105.6	151.8	0	0	0	0	111.2
414	K	31.2	Very low	30.6	Very low	181 Å²	181	139.4 Å²	139.4	79%	0.787	80%	0.798	S	S	*	*			trans	25.4	122.1	155.7	-58.2	170.1	-172.4	176	0	119.4
415	S	25.2	Very low	30.3	Very low	103 Å²	103	140.6 Å²	140.6	72%	0.72	80%	0.799	S	S	*	*			cis	79.7	100.5	46	81.4	0	0	0	0	115.8
416	E	32.3	Very low	30	Very low	187 Å²	187	142.1 Å²	142.1	87%	0.874	80%	0.803	S	S	*	*			trans	-158.3	120.4	153.4	-116.9	159.1	-138	0	0	112.6
417	S	32.9	Very low	30	Very low	95 Å²	95	141.3 Å²	141.3	66%	0.664	80%	0.803	S	S	*	*			trans	29	116.6	144.1	54.4	0	0	0	0	121.1
418	S	28.3	Very low	30.3	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	81%	0.805	S	S	*	*				80.6	122	66.2	-65.9	0	0	0	0	116.1
419	T	32.6	Very low	29.8	Very low	142 Å²	142	144.1 Å²	144.1	87%	0.871	80%	0.804	S	S	*	*				179.9	144	127.9	-72.9	0	0	0	0	111.5
420	T	26	Very low	29.6	Very low	128 Å²	128	140.8 Å²	140.8	79%	0.785	80%	0.801	S	S	*	*			trans	-119.6	144.1	-175.2	49.9	0	0	0	0	113.8
421	C	28.4	Very low	29.7	Very low	117 Å²	117	140.9 Å²	140.9	79%	0.791	80%	0.795	S	S	*	*			trans	-171.7	118.1	148.4	-110.5	0	0	0	0	109.2
422	I	31.9	Very low	30.2	Very low	139 Å²	139	142.5 Å²	142.5	71%	0.713	80%	0.798	S	S	*	*				76.1	102.7	77.3	-64.4	173.2	0	0	0	114.6
423	Q	28	Very low	31.4	Very low	178 Å²	178	137.5 Å²	137.5	83%	0.832	78%	0.778	S	S	*	*			trans	40	126.4	141.9	-60.3	176.5	-13.1	0	0	122.1
424	S	28.5	Very low	33.1	Very low	124 Å²	124	139.2 Å²	139.2	87%	0.867	78%	0.784	S	S	*	*			trans	-162.7	132.1	137.8	-81.8	0	0	0	0	111.1
425	N	27.1	Very low	35.4	Very low	154 Å²	154	133 Å²	133	82%	0.824	76%	0.759	S	S	*	*			trans	-86.4	135.7	178.8	-69.6	-14.8	0	0	0	111.6
426	N	24.8	Very low	38	Very low	160 Å²	160	129.6 Å²	129.6	86%	0.856	73%	0.734	S	S	*	*			trans	149.8	93.2	144.4	-80.1	-27.8	0	0	0	112.6
427	V	32.6	Very low	40.3	Very low	148 Å²	148	125.2 Å²	125.2	90%	0.897	72%	0.717	S	S	*	*			trans	-139.3	148.2	157.7	-174.8	0	0	0	0	108.7
428	L	31.2	Very low	43	Very low	155 Å²	155	120.9 Å²	120.9	81%	0.812	69%	0.686	S	S	*	*			trans	-71.7	162.8	-177.6	-81.5	70.5	0	0	0	112.9	S430	L428-S430 PolarHBondContact O-N 2.84Å
429	L	25.7	Very low	46	Very low	168 Å²	168	117 Å²	117	88%	0.88	66%	0.658	S	S	*	*			trans	-54.8	130.1	176.5	-65.3	76.3	0	0	0	112.5
430	S	29.4	Very low	48.8	Very low	112 Å²	112	111.3 Å²	111.3	78%	0.783	62%	0.622	S	S	*	*			trans	-117.8	102.2	155	54	0	0	0	0	107.9	L428 E432	L428-S430 PolarHBondContact O-N 2.84Å; S430-E432 VanDerWaalsContact C-N 3.31Å; S430-E432 PolarHBondContact O-N 3Å
431	D	31.8	Very low	52	Low	127 Å²	127	114.7 Å²	114.7	68%	0.679	62%	0.62	S	S	*	*			trans	-85.4	65.7	-169.7	-170.2	18.6	0	0	0	112.2
432	E	41.6	Very low	55	Low	173 Å²	173	110.9 Å²	110.9	81%	0.808	59%	0.594	S	S	*	*			trans	-142.8	88.2	170.1	-71.7	-67.4	174.8	0	0	107.1	S430 D434	S430-E432 VanDerWaalsContact C-N 3.31Å; S430-E432 PolarHBondContact O-N 3Å; E432-D434 PolarHBondContact O-N 3.44Å
433	T	56.8	Low	58	Low	62 Å²	62	104.3 Å²	104.3	38%	0.38	56%	0.561	S	S	.	*			trans	-80.4	113.6	178.7	50.8	0	0	0	0	110.3	L435 Y506 R603	T433-L435 PolarHBondContact O-N 2.9Å; T433-Y506 WeakPolarHBondContact O-CE2 3.31Å; T433-R603 PolarHBondContact OG1-NH1 3.35Å; T433-R603 PolarHBondContact OG1-NH2 3.36Å
434	D	69.4	Low	61.1	Low	157 Å²	157	97.9 Å²	97.9	84%	0.84	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-48.3	133.7	175.8	-71.6	-55.2	0	0	0	112.1	E432 P436	E432-D434 PolarHBondContact O-N 3.44Å; D434-P436 WeakPolarHBondContact O-CD 3.37Å
435	L	80.1	Confident	64.2	Low	49 Å²	49	95 Å²	95	26%	0.257	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-68.1	125.4	179.9	171.9	65.5	0	0	0	110.8	T433 V501 Y506 V607	T433-L435 PolarHBondContact O-N 2.9Å; L435-V501 HydrophobicContact CD1-CG1 4.08Å; L435-V501 HydrophobicContact CD1-CG2 3.95Å; L435-Y506 HydrophobicContact CB-CE2 3.94Å; L435-Y506 HydrophobicContact CD1-CD1 3.79Å; L435-Y506 HydrophobicContact CD1-CD2 4.38Å; L435-Y506 HydrophobicContact CD1-CE1 3.31Å; L435-Y506 HydrophobicContact CD1-CE2 3.99Å; L435-Y506 HydrophobicContact CD1-CG 4.31Å; L435-Y506 VanDerWaalsContact CD1-CZ 3.44Å; L435-V607 HydrophobicContact CD1-CG2 3.61Å
436	P	79.6	Confident	67.4	Low	32 Å²	32	87.7 Å²	87.7	21%	0.208	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-62.7	139.4	176.5	-24.5	35	0	0	0	113.1	D434 L438 P500 V501 S504	D434-P436 WeakPolarHBondContact O-CD 3.37Å; P436-L438 PolarHBondContact O-N 3.1Å; P436-L438 VanDerWaalsContact O-N 3.1Å; P436-P500 HydrophobicContact CB-CB 4.21Å; P436-V501 HydrophobicContact CB-CG2 4.14Å; P436-V501 VanDerWaalsContact O-CG2 3.25Å; P436-V501 WeakPolarHBondContact O-CG2 3.37Å; P436-S504 WeakPolarHBondContact CG-OG 3.48Å
437	N	80.5	Confident	70.7	Confident	96 Å²	96	80.2 Å²	80.2	51%	0.513	43%	0.433	S	S	.	.			trans	-71.2	105.2	-175.7	-171.8	-18.9	0	0	0	112.3	T439	N437-T439 PolarHBondContact O-N 2.96Å; N437-T439 WeakPolarHBondContact OD1-CG2 3.46Å
438	L	88.3	Confident	73.4	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.016	41%	0.407	C	S	.	.			trans	-87.6	82.6	179.3	-174.4	56.4	0	0	0	111.6	I398 P436 L443 L499 V501 F591 V607 L611	I398-L438 VanDerWaalsContact CD1-O 3.29Å; I398-L438 WeakPolarHBondContact CD1-O 3.3Å; I398-L438 WeakPolarHBondContact CG1-O 3.28Å; P436-L438 PolarHBondContact O-N 3.1Å; P436-L438 VanDerWaalsContact O-N 3.1Å; L438-L443 HydrophobicContact CD1-CD2 4.13Å; L438-L443 HydrophobicContact CD1-CG 4.11Å; L438-L443 HydrophobicContact CG-CD1 4.35Å; L438-L443 HydrophobicContact CG-CD2 4.43Å; L438-L443 HydrophobicContact CG-CG 4.31Å; L438-L499 HydrophobicContact CD1-CB 4.25Å; L438-L499 HydrophobicContact CD1-CD2 4.37Å; L438-V501 HydrophobicContact CB-CG2 3.96Å; L438-V501 HydrophobicContact CD2-CG2 4.4Å; L438-F591 HydrophobicContact CD2-CE2 4.14Å; L438-V607 HydrophobicContact CD2-CG1 4.15Å; L438-L611 HydrophobicContact CD2-CD1 4.29Å; L438-L611 HydrophobicContact CD2-CD2 3.86Å; L438-L611 HydrophobicContact CD2-CG 4.19Å
439	T	91.5	Very high	76.1	Confident	34 Å²	34	71.5 Å²	71.5	21%	0.209	39%	0.386	C	S	.	.			trans	-74	152.9	-178.5	75.3	0	0	0	0	113.4	N437 R441 C442 L443	N437-T439 PolarHBondContact O-N 2.96Å; N437-T439 WeakPolarHBondContact OD1-CG2 3.46Å; T439-R441 PolarHBondContact O-N 3.34Å; T439-R441 PolarHBondContact OG1-N 3.37Å; T439-C442 WeakPolarHBondContact O-CB 3.37Å; T439-C442 PolarHBondContact O-N 3.34Å; T439-C442 PolarHBondContact OG1-N 3.03Å; T439-C442 VanDerWaalsContact OG1-N 3.12Å; T439-C442 PolarHBondContact OG1-SG 2.87Å; T439-L443 PolarHBondContact O-N 3.35Å; T439-L443 VanDerWaalsContact O-N 3.13Å
440	L	92	Very high	79	Confident	22 Å²	22	63.9 Å²	63.9	12%	0.115	35%	0.346	C	S	.	.	H	α-helix	trans	-56	-31.6	169.9	-67	-171.9	0	0	0	112.9	I398 I400 L443 L444 L584 A614 Y618	I398-L440 HydrophobicContact CG2-CG 4.33Å; I400-L440 HydrophobicContact CD1-CD1 3.91Å; I400-L440 HydrophobicContact CG1-CD1 3.76Å; I400-L440 HydrophobicContact CG1-CG 4.35Å; I400-L440 HydrophobicContact CG2-CD1 4.24Å; L440-L443 HydrophobicContact CD2-CD1 4.21Å; L440-L443 PolarHBondContact O-N 3.43Å; L440-L444 WeakPolarHBondContact O-CB 3.3Å; L440-L444 PolarHBondContact O-N 3Å; L440-L584 HydrophobicContact CD2-CD1 3.84Å; L440-L584 HydrophobicContact CD2-CD2 3.79Å; L440-L584 HydrophobicContact CD2-CG 4.05Å; L440-A614 HydrophobicContact CD2-CB 4.17Å; L440-Y618 HydrophobicContact CD1-CD2 3.89Å
441	R	92.3	Very high	81.4	Confident	198 Å²	198	60.6 Å²	60.6	75%	0.747	32%	0.319	S	S	*	.	H	α-helix	trans	-65.1	-42.3	174.9	172	179.8	157.8	148.5	-1.8	111.5	T439 S445	T439-R441 PolarHBondContact O-N 3.34Å; T439-R441 PolarHBondContact OG1-N 3.37Å; R441-S445 WeakPolarHBondContact O-CB 3.45Å; R441-S445 PolarHBondContact O-N 2.68Å
442	C	92.6	Very high	83.4	Confident	37 Å²	37	55.6 Å²	55.6	25%	0.25	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-46.6	176	-65	0	0	0	0	110.8	T439 S445 A446 P500	T439-C442 WeakPolarHBondContact O-CB 3.37Å; T439-C442 PolarHBondContact O-N 3.34Å; T439-C442 PolarHBondContact OG1-N 3.03Å; T439-C442 VanDerWaalsContact OG1-N 3.12Å; T439-C442 PolarHBondContact OG1-SG 2.87Å; C442-S445 PolarHBondContact O-N 3.45Å; C442-A446 WeakPolarHBondContact O-CB 3.05Å; C442-A446 PolarHBondContact O-N 2.65Å; C442-P500 HydrophobicContact CB-CG 4.43Å
443	L	94.5	Very high	84.8	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-50.5	177.1	-72	164.6	0	0	0	112.1	L438 T439 L440 S445 A446 E447 L499 A583 L584 A587 L611	L438-L443 HydrophobicContact CD1-CD2 4.13Å; L438-L443 HydrophobicContact CD1-CG 4.11Å; L438-L443 HydrophobicContact CG-CD1 4.35Å; L438-L443 HydrophobicContact CG-CD2 4.43Å; L438-L443 HydrophobicContact CG-CG 4.31Å; T439-L443 PolarHBondContact O-N 3.35Å; T439-L443 VanDerWaalsContact O-N 3.13Å; L440-L443 HydrophobicContact CD2-CD1 4.21Å; L440-L443 PolarHBondContact O-N 3.43Å; L443-S445 PolarHBondContact O-N 2.67Å; L443-A446 PolarHBondContact O-N 3.4Å; L443-E447 WeakPolarHBondContact O-CB 3.44Å; L443-E447 PolarHBondContact O-N 3.39Å; L443-L499 HydrophobicContact CD2-CD2 3.92Å; L443-A583 HydrophobicContact CB-CB 4.21Å; L443-L584 HydrophobicContact CD1-CD2 3.82Å; L443-L584 HydrophobicContact CD1-CG 4.39Å; L443-A587 HydrophobicContact CD2-CB 3.57Å; L443-L611 HydrophobicContact CD1-CD2 3.83Å; L443-L611 HydrophobicContact CD2-CD2 4.42Å
444	L	93.9	Very high	85.6	Confident	43 Å²	43	54.8 Å²	54.8	23%	0.225	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-36.6	-180	-175.9	60.5	0	0	0	112.5	L440 E447 L448 R579	L440-L444 WeakPolarHBondContact O-CB 3.3Å; L440-L444 PolarHBondContact O-N 3Å; L444-E447 PolarHBondContact O-N 2.93Å; L444-L448 HydrophobicContact CD1-CD1 4.41Å; L444-L448 HydrophobicContact CD1-CG 4.37Å; L444-L448 HydrophobicContact CG-CD1 4.19Å; L444-L448 WeakPolarHBondContact O-CG 3.41Å; L444-L448 PolarHBondContact O-N 2.9Å; L444-R579 HydrophobicContact CD1-CB 4.17Å; L444-R579 HydrophobicContact CD1-CG 3.83Å
445	S	93.6	Very high	85.4	Confident	63 Å²	63	50.5 Å²	50.5	44%	0.441	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-41.2	175.8	-168.8	0	0	0	0	112	R441 C442 L443 S449	R441-S445 WeakPolarHBondContact O-CB 3.45Å; R441-S445 PolarHBondContact O-N 2.68Å; C442-S445 PolarHBondContact O-N 3.45Å; L443-S445 PolarHBondContact O-N 2.67Å; S445-S449 PolarHBondContact O-N 2.71Å
446	A	93.5	Very high	84.9	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-43.1	173.8	0	0	0	0	0	110.8	C442 L443 L448 S449 Q498 L499	C442-A446 WeakPolarHBondContact O-CB 3.05Å; C442-A446 PolarHBondContact O-N 2.65Å; L443-A446 PolarHBondContact O-N 3.4Å; A446-L448 PolarHBondContact O-N 2.84Å; A446-S449 WeakPolarHBondContact O-CB 3.38Å; A446-S449 PolarHBondContact O-N 3.28Å; A446-S449 VanDerWaalsContact O-N 3.08Å; A446-S449 PolarHBondContact O-OG 3.39Å; A446-Q498 HydrophobicContact CB-CB 3.87Å; A446-L499 HydrophobicContact CB-CD2 3.85Å
447	E	93.6	Very high	84.4	Confident	3 Å²	3	52.2 Å²	52.2	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-43.6	-180	-162.5	63.5	-158.5	0	0	112.9	L443 L444 S449 M450 W495 R579 L582 A583 R586	L443-E447 WeakPolarHBondContact O-CB 3.44Å; L443-E447 PolarHBondContact O-N 3.39Å; L444-E447 PolarHBondContact O-N 2.93Å; E447-S449 PolarHBondContact O-N 3.47Å; E447-M450 PolarHBondContact O-N 3.27Å; E447-W495 PolarHBondContact OE2-NE1 2.96Å; E447-R579 HydrophobicContact CG-CG 4.16Å; E447-L582 HydrophobicContact CG-CD2 4.45Å; E447-L582 VanDerWaalsContact OE1-CD2 3.32Å; E447-L582 WeakPolarHBondContact OE1-CD2 3.48Å; E447-A583 HydrophobicContact CB-CB 3.78Å; E447-A583 HydrophobicContact CG-CB 3.92Å; E447-R586 WeakPolarHBondContact OE1-CD 3.4Å; E447-R586 IonicContact OE1-CZ 3.17Å; E447-R586 IonicContact OE1-NE 3.53Å; E447-R586 IonicContact OE1-NH1 3.46Å; E447-R586 PolarHBondContact OE1-NH1 3.19Å; E447-R586 WeakPolarHBondContact OE2-CD 3.32Å; E447-R586 IonicContact OE2-NE 4Å; E447-R586 IonicContact OE2-NH1 2.71Å
448	L	90.6	Very high	83.7	Confident	70 Å²	70	57.8 Å²	57.8	37%	0.366	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-25.1	175.7	-68.1	169	0	0	0	112.5	L444 A446 M450	L444-L448 HydrophobicContact CD1-CD1 4.41Å; L444-L448 HydrophobicContact CD1-CG 4.37Å; L444-L448 HydrophobicContact CG-CD1 4.19Å; L444-L448 WeakPolarHBondContact O-CG 3.41Å; L444-L448 PolarHBondContact O-N 2.9Å; A446-L448 PolarHBondContact O-N 2.84Å; L448-M450 VanDerWaalsContact C-N 3.26Å; L448-M450 PolarHBondContact O-N 3.43Å
449	S	88.1	Confident	82.5	Confident	51 Å²	51	67.7 Å²	67.7	36%	0.357	34%	0.343	S	S	.	.	H	α-helix	trans	-71.8	-17.1	175.3	84	0	0	0	0	114	S445 A446 E447 Q498	S445-S449 PolarHBondContact O-N 2.71Å; A446-S449 WeakPolarHBondContact O-CB 3.38Å; A446-S449 PolarHBondContact O-N 3.28Å; A446-S449 VanDerWaalsContact O-N 3.08Å; A446-S449 PolarHBondContact O-OG 3.39Å; E447-S449 PolarHBondContact O-N 3.47Å; S449-Q498 PolarHBondContact OG-NE2 3.45Å; S449-Q498 PolarHBondContact OG-OE1 3.04Å
450	M	85.3	Confident	81.1	Confident	8 Å²	8	68.6 Å²	68.6	4%	0.039	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-23	-179.5	-74.8	-155.9	71.1	0	0	114	E447 L448 R491 I492 W495 R586	E447-M450 PolarHBondContact O-N 3.27Å; L448-M450 VanDerWaalsContact C-N 3.26Å; L448-M450 PolarHBondContact O-N 3.43Å; M450-R491 HydrophobicContact CE-CB 3.82Å; M450-R491 PolarHBondContact O-NH1 3.39Å; M450-I492 HydrophobicContact CE-CG1 3.72Å; M450-W495 HydrophobicContact CG-CB 3.57Å; M450-W495 HydrophobicContact CG-CG 3.82Å; M450-W495 HydrophobicContact SD-CB 3.48Å; M450-W495 WeakPolarHBondContact SD-CB 3.3Å; M450-W495 VanDerWaalsContact SD-CD1 3.51Å; M450-W495 HydrophobicContact SD-CD2 4.06Å; M450-W495 HydrophobicContact SD-CG 3.42Å; M450-R586 PolarHBondContact SD-NH2 3.41Å
451	D	80.1	Confident	79.9	Confident	43 Å²	43	69.2 Å²	69.2	23%	0.23	36%	0.362	C	S	.	.	S	Bend	trans	-52	138.6	-167.4	-88	-22.2	0	0	0	111.8	K453 R491 H531 R579	D451-K453 PolarHBondContact O-N 3.36Å; D451-R491 PolarHBondContact O-NH1 3.32Å; D451-H531 IonicContact OD1-CE1 2.66Å; D451-H531 PolarHBondContact OD1-CE1 3.18Å; D451-R579 IonicContact OD1-CZ 3.32Å; D451-R579 IonicContact OD1-NH1 2.81Å; D451-R579 PolarHBondContact OD1-NH1 3.24Å; D451-R579 IonicContact OD1-NH2 2.87Å; D451-R579 PolarHBondContact OD1-NH2 3.13Å; D451-R579 IonicContact OD2-CZ 2.71Å; D451-R579 VanDerWaalsContact OD2-CZ 3.32Å; D451-R579 IonicContact OD2-NH1 3.38Å; D451-R579 PolarHBondContact OD2-NH1 2.95Å; D451-R579 IonicContact OD2-NH2 3.5Å; D451-R579 PolarHBondContact OD2-NH2 3.4Å
452	P	73.8	Confident	78.8	Confident	22 Å²	22	60.2 Å²	60.2	14%	0.143	33%	0.33	C	S	.	.			trans	-66.6	133.1	-178.3	29.2	-35	0	0	0	110	L454 S542	P452-L454 VanDerWaalsContact C-N 3.26Å; P452-L454 HydrophobicContact CB-CD1 4.26Å; P452-L454 HydrophobicContact CB-CD2 3.83Å; P452-L454 HydrophobicContact CB-CG 3.81Å; P452-L454 HydrophobicContact CG-CD1 3.88Å; P452-L454 HydrophobicContact CG-CD2 4.36Å; P452-L454 HydrophobicContact CG-CG 3.93Å; P452-L454 PolarHBondContact O-N 3.21Å; P452-S542 WeakPolarHBondContact CB-O 3.5Å
453	K	71.9	Confident	77.9	Confident	183 Å²	183	60.4 Å²	60.4	80%	0.796	33%	0.328	S	S	*	.			trans	-78.7	81.7	172.3	-69.4	-173.3	178.4	-176.3	0	107.8	D451	D451-K453 PolarHBondContact O-N 3.36Å
454	L	71.9	Confident	77.2	Confident	34 Å²	34	61.8 Å²	61.8	18%	0.178	33%	0.334	C	S	.	.			trans	-88.5	163	179	-57.7	-177.9	0	0	0	110.6	P452 A462 I543 Y709	P452-L454 VanDerWaalsContact C-N 3.26Å; P452-L454 HydrophobicContact CB-CD1 4.26Å; P452-L454 HydrophobicContact CB-CD2 3.83Å; P452-L454 HydrophobicContact CB-CG 3.81Å; P452-L454 HydrophobicContact CG-CD1 3.88Å; P452-L454 HydrophobicContact CG-CD2 4.36Å; P452-L454 HydrophobicContact CG-CG 3.93Å; P452-L454 PolarHBondContact O-N 3.21Å; L454-A462 HydrophobicContact CB-CB 4.24Å; L454-A462 HydrophobicContact CD1-CB 3.99Å; L454-I543 WeakPolarHBondContact CD2-O 3.49Å; L454-Y709 HydrophobicContact CD1-CD1 4.31Å; L454-Y709 HydrophobicContact CD1-CE1 3.54Å
455	A	66.6	Low	76.7	Confident	68 Å²	68	64.6 Å²	64.6	56%	0.562	35%	0.345	S	S	*	.			trans	-59.9	148.6	159.8	0	0	0	0	0	109	A462 I463	A455-A462 CarbonylContact O-C 3.46Å; A455-A462 WeakPolarHBondContact O-CA 3.28Å; A455-I463 HydrophobicContact CB-CB 4.25Å; A455-I463 HydrophobicContact CB-CD1 4.34Å; A455-I463 PolarHBondContact O-N 2.99Å
456	V	69.1	Low	76.2	Confident	89 Å²	89	64.8 Å²	64.8	54%	0.539	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-131.3	133	-176.5	-171.9	0	0	0	0	108	G460 E461	V456-G460 VanDerWaalsContact CG1-CA 3.43Å; V456-E461 CarbonylContact C-O 3.58Å; V456-E461 WeakPolarHBondContact CA-O 3.21Å
457	S	68.9	Low	75.6	Confident	28 Å²	28	65 Å²	65	20%	0.196	34%	0.342	C	S	.	.			trans	-65.8	165.6	175.6	78.1	0	0	0	0	111.3	R459 G460 E461	S457-R459 PolarHBondContact O-N 3.44Å; S457-R459 PolarHBondContact OG-N 3.07Å; S457-G460 PolarHBondContact O-N 3.42Å; S457-E461 PolarHBondContact N-O 3.39Å; S457-E461 WeakPolarHBondContact OG-CB 3.29Å; S457-E461 PolarHBondContact OG-N 3.4Å; S457-E461 PolarHBondContact OG-O 3.43Å
458	E	65.3	Low	74.7	Confident	213 Å²	213	67.4 Å²	67.4	100%	0.995	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-16.3	172.8	-57.9	-175.5	150.6	0	0	113.9
459	R	63.1	Low	73.4	Confident	210 Å²	210	65.6 Å²	65.6	79%	0.792	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-4.2	-178.9	-59.9	179.5	179.9	-172.6	1.3	114.2	S457 E461	S457-R459 PolarHBondContact O-N 3.44Å; S457-R459 PolarHBondContact OG-N 3.07Å; R459-E461 HydrophobicContact CB-CG 4.07Å; R459-E461 WeakPolarHBondContact CB-OE2 3.44Å; R459-E461 VanDerWaalsContact CD-OE2 3.3Å; R459-E461 WeakPolarHBondContact CD-OE2 3.34Å
460	G	63.1	Low	71.9	Confident	54 Å²	54	69.4 Å²	69.4	56%	0.557	37%	0.373	S	S	*	.	S	Bend	trans	87.9	11.9	-174.5	0	0	0	0	0	114.6	V456 S457	V456-G460 VanDerWaalsContact CG1-CA 3.43Å; S457-G460 PolarHBondContact O-N 3.42Å
461	E	66.4	Low	70.3	Confident	34 Å²	34	74.8 Å²	74.8	16%	0.159	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-95.9	130.1	-177.4	-50.3	178.5	83.6	0	0	110	V456 S457 R459 Q708 I710	V456-E461 CarbonylContact C-O 3.58Å; V456-E461 WeakPolarHBondContact CA-O 3.21Å; S457-E461 PolarHBondContact N-O 3.39Å; S457-E461 WeakPolarHBondContact OG-CB 3.29Å; S457-E461 PolarHBondContact OG-N 3.4Å; S457-E461 PolarHBondContact OG-O 3.43Å; R459-E461 HydrophobicContact CB-CG 4.07Å; R459-E461 WeakPolarHBondContact CB-OE2 3.44Å; R459-E461 VanDerWaalsContact CD-OE2 3.3Å; R459-E461 WeakPolarHBondContact CD-OE2 3.34Å; E461-Q708 CarbonylContact C-O 3.57Å; E461-Q708 WeakPolarHBondContact CA-O 3.34Å; E461-Q708 HydrophobicContact CB-CB 4.28Å; E461-Q708 HydrophobicContact CG-CB 4.04Å; E461-I710 HydrophobicContact CB-CD1 3.79Å; E461-I710 HydrophobicContact CB-CG1 3.67Å; E461-I710 HydrophobicContact CG-CD1 4.33Å; E461-I710 HydrophobicContact CG-CG1 4.48Å
462	A	68.3	Low	69	Low	9 Å²	9	81.4 Å²	81.4	7%	0.074	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.5	-176.1	0	0	0	0	0	111.9	L454 A455 P707 Q708 Y709 I710	L454-A462 HydrophobicContact CB-CB 4.24Å; L454-A462 HydrophobicContact CD1-CB 3.99Å; A455-A462 CarbonylContact O-C 3.46Å; A455-A462 WeakPolarHBondContact O-CA 3.28Å; A462-P707 HydrophobicContact CB-CB 4.36Å; A462-Q708 PolarHBondContact N-O 2.9Å; A462-Y709 HydrophobicContact CB-CD1 3.74Å; A462-Y709 HydrophobicContact CB-CE1 3.77Å; A462-Y709 HydrophobicContact CB-CG 4.35Å; A462-Y709 CarbonylContact O-C 3.59Å; A462-Y709 WeakPolarHBondContact O-CA 3.25Å; A462-I710 PolarHBondContact O-N 3.08Å
463	I	74.7	Confident	68	Low	41 Å²	41	87 Å²	87	21%	0.21	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139.8	-177.9	-51.9	175.3	0	0	0	109.6	A455 I710 H712	A455-I463 HydrophobicContact CB-CB 4.25Å; A455-I463 HydrophobicContact CB-CD1 4.34Å; A455-I463 PolarHBondContact O-N 2.99Å; I463-I710 CarbonylContact C-O 3.55Å; I463-I710 VanDerWaalsContact CA-O 3.3Å; I463-I710 WeakPolarHBondContact CA-O 3.22Å; I463-H712 HydrophobicContact CG2-CB 3.98Å
464	Y	80.4	Confident	67.5	Low	31 Å²	31	80.2 Å²	80.2	12%	0.122	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.6	171.3	66.6	-96.4	0	0	0	112.4	D466 I535 L540 G544 H546 I710 Q711 H712	Y464-D466 VanDerWaalsContact CE2-OD1 3.25Å; Y464-D466 WeakPolarHBondContact CE2-OD1 3.44Å; Y464-I535 HydrophobicContact CD1-CD1 4.02Å; Y464-I535 HydrophobicContact CE1-CD1 3.73Å; Y464-I535 HydrophobicContact CE1-CG1 4.48Å; Y464-I535 HydrophobicContact CG-CD1 4.5Å; Y464-L540 HydrophobicContact CG-CD1 4.28Å; Y464-G544 VanDerWaalsContact CA-O 3.23Å; Y464-G544 WeakPolarHBondContact CA-O 3.24Å; Y464-G544 VanDerWaalsContact CB-O 3.26Å; Y464-G544 WeakPolarHBondContact CB-O 3.36Å; Y464-H546 HydrophobicContact CD2-CB 3.48Å; Y464-H546 VanDerWaalsContact CD2-CB 3.48Å; Y464-H546 HydrophobicContact CE2-CB 3.82Å; Y464-H546 AromaticContact CE2-CG 3.94Å; Y464-H546 HydrophobicContact CG-CB 4.39Å; Y464-I710 VanDerWaalsContact CD1-C 3.4Å; Y464-I710 WeakPolarHBondContact CD1-O 3.34Å; Y464-I710 PolarHBondContact N-O 2.8Å; Y464-Q711 HydrophobicContact CE1-CB 4.39Å; Y464-Q711 VanDerWaalsContact CE1-N 3.32Å; Y464-Q711 HydrophobicContact CE2-CB 3.88Å; Y464-Q711 HydrophobicContact CE2-CG 4.03Å; Y464-H712 PolarHBondContact O-N 3.35Å
465	E	81.9	Confident	67.2	Low	101 Å²	101	82.9 Å²	82.9	47%	0.472	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.9	177.2	-65	168.5	177.2	0	0	108.9	G544 R545 H546	E465-G544 PolarHBondContact N-O 3.28Å; E465-R545 CarbonylContact O-C 3.3Å; E465-R545 VanDerWaalsContact O-CA 3.3Å; E465-R545 WeakPolarHBondContact O-CA 3.35Å; E465-R545 VanDerWaalsContact OE2-CD 3.24Å; E465-R545 WeakPolarHBondContact OE2-CD 3.12Å; E465-R545 IonicContact OE2-CZ 3.24Å; E465-R545 IonicContact OE2-NE 2.95Å; E465-R545 IonicContact OE2-NH1 2.79Å; E465-R545 PolarHBondContact OE2-NH1 2.92Å; E465-H546 PolarHBondContact O-N 2.92Å
466	D	83.3	Confident	67.7	Low	68 Å²	68	83.8 Å²	83.8	36%	0.364	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	144.4	174.8	-63.8	-22.6	0	0	0	110.9	Y464 H546 Q711	Y464-D466 VanDerWaalsContact CE2-OD1 3.25Å; Y464-D466 WeakPolarHBondContact CE2-OD1 3.44Å; D466-H546 WeakPolarHBondContact OD1-CB 3.33Å; D466-H546 IonicContact OD1-CG 3.14Å; D466-H546 IonicContact OD1-ND1 2.75Å; D466-H546 PolarHBondContact OD1-ND1 3.15Å; D466-Q711 PolarHBondContact OD2-NE2 3.19Å
467	I	81.9	Confident	68.3	Low	5 Å²	5	79.7 Å²	79.7	3%	0.026	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-73.4	124.5	169.2	-69.1	174.1	0	0	0	108.1	P477 I480 L541 R545 H546 L547 V551	I467-P477 HydrophobicContact CG2-CB 3.94Å; I467-P477 HydrophobicContact CG2-CG 3.78Å; I467-I480 HydrophobicContact CD1-CB 4.22Å; I467-I480 HydrophobicContact CD1-CG2 3.8Å; I467-I480 HydrophobicContact CG1-CD1 4.18Å; I467-I480 HydrophobicContact CG1-CG2 4.07Å; I467-I480 HydrophobicContact CG2-CD1 3.91Å; I467-L541 HydrophobicContact CD1-CD1 3.79Å; I467-R545 HydrophobicContact CG1-CB 4.32Å; I467-H546 WeakPolarHBondContact CB-O 3.31Å; I467-H546 WeakPolarHBondContact CG1-O 3.44Å; I467-H546 PolarHBondContact N-O 3.21Å; I467-L547 HydrophobicContact CD1-CB 4.14Å; I467-L547 HydrophobicContact CD1-CD1 4.11Å; I467-V551 HydrophobicContact CG2-CG1 4.32Å
468	P	75	Confident	68.9	Low	53 Å²	53	80 Å²	80	34%	0.344	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-59.3	139.8	-178.4	23.8	-33.8	0	0	0	111.3
469	G	61.8	Low	69.6	Low	32 Å²	32	71.1 Å²	71.1	33%	0.33	39%	0.394	S	S	.	.	S	Bend	trans	-80.5	-42.3	-167.3	0	0	0	0	0	114.8	H555	G469-H555 PolarHBondContact O-CE1 3.39Å
470	D	56.9	Low	70.6	Confident	132 Å²	132	61.3 Å²	61.3	71%	0.706	36%	0.358	S	S	*	.	S	Bend	trans	-171.6	105.3	168.4	-98.4	-43.2	0	0	0	107.3
471	D	51.1	Low	71.7	Confident	121 Å²	121	60.3 Å²	60.3	65%	0.647	34%	0.339	S	S	*	.			trans	-141.8	138.7	172.3	-88.3	-58.5	0	0	0	108.2	T473 G474	D471-T473 PolarHBondContact O-N 2.88Å; D471-G474 PolarHBondContact O-N 2.86Å
472	D	52.8	Low	72.6	Confident	181 Å²	181	58.8 Å²	58.8	97%	0.968	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	10	-169	-106.6	-24.7	0	0	0	116.1
473	T	54.8	Low	73.3	Confident	139 Å²	139	61.1 Å²	61.1	85%	0.853	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	2	177.5	53.6	0	0	0	0	114.1	D471	D471-T473 PolarHBondContact O-N 2.88Å
474	G	59.8	Low	73.9	Confident	41 Å²	41	59.3 Å²	59.3	42%	0.423	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-78.6	150.2	-176.8	0	0	0	0	0	114.7	D471	D471-G474 PolarHBondContact O-N 2.86Å
475	L	65.8	Low	74.3	Confident	90 Å²	90	59 Å²	59	47%	0.471	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-74.9	128.9	164.7	-98.6	69.7	0	0	0	109.8	T479 I480	L475-T479 HydrophobicContact CD2-CG2 4.01Å; L475-I480 HydrophobicContact CB-CD1 4.04Å; L475-I480 HydrophobicContact CB-CG1 3.9Å; L475-I480 WeakPolarHBondContact O-CD1 3.42Å
476	H	77.4	Confident	74.4	Confident	88 Å²	88	55.1 Å²	55.1	41%	0.407	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-50.7	134.7	175.5	-174.9	-71	0	0	0	111.3	L478 T479 I480 H555	H476-L478 VanDerWaalsContact C-N 3.29Å; H476-L478 WeakPolarHBondContact ND1-CB 3.3Å; H476-L478 PolarHBondContact ND1-N 3.3Å; H476-L478 PolarHBondContact O-N 3.48Å; H476-L478 VanDerWaalsContact O-N 3.11Å; H476-T479 WeakPolarHBondContact O-CA 3.3Å; H476-T479 VanDerWaalsContact O-CB 3.32Å; H476-T479 WeakPolarHBondContact O-CB 3.09Å; H476-T479 PolarHBondContact O-N 2.89Å; H476-T479 PolarHBondContact O-OG1 3.41Å; H476-I480 PolarHBondContact O-N 2.98Å; H476-H555 AromaticContact CD2-CD2 3.9Å; H476-H555 AromaticContact CE1-CD2 3.71Å; H476-H555 AromaticContact NE2-CD2 3.46Å; H476-H555 PolarHBondContact NE2-CD2 3.09Å
477	P	81.5	Confident	74.5	Confident	2 Å²	2	56 Å²	56	1%	0.013	32%	0.317	C	S	.	.	H	α-helix	trans	-52.7	-39.2	-173.1	-31.5	36.5	0	0	0	115.1	I467 T479 I480 I481 L547 V551 H555	I467-P477 HydrophobicContact CG2-CB 3.94Å; I467-P477 HydrophobicContact CG2-CG 3.78Å; P477-T479 VanDerWaalsContact C-N 3.3Å; P477-T479 PolarHBondContact O-N 3.17Å; P477-I480 PolarHBondContact O-N 2.74Å; P477-I480 VanDerWaalsContact O-N 3.17Å; P477-I481 VanDerWaalsContact O-CG1 3.3Å; P477-I481 WeakPolarHBondContact O-CG1 3.28Å; P477-I481 PolarHBondContact O-N 2.84Å; P477-L547 HydrophobicContact CB-CD1 4.11Å; P477-V551 HydrophobicContact CG-CG1 3.86Å; P477-H555 VanDerWaalsContact CD-NE2 3.34Å; P477-H555 WeakPolarHBondContact CD-NE2 3.25Å
478	L	81.2	Confident	74.8	Confident	34 Å²	34	56.1 Å²	56.1	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-54.2	-40.9	171.8	-77.6	171.6	0	0	0	113.9	H476 I480 I481 C482 L557 V654	H476-L478 VanDerWaalsContact C-N 3.29Å; H476-L478 WeakPolarHBondContact ND1-CB 3.3Å; H476-L478 PolarHBondContact ND1-N 3.3Å; H476-L478 PolarHBondContact O-N 3.48Å; H476-L478 VanDerWaalsContact O-N 3.11Å; L478-I480 VanDerWaalsContact C-N 3.34Å; L478-I481 PolarHBondContact O-N 2.91Å; L478-C482 WeakPolarHBondContact O-CB 3.46Å; L478-C482 PolarHBondContact O-N 2.76Å; L478-C482 PolarHBondContact O-SG 3.27Å; L478-L557 HydrophobicContact CD2-CD1 3.95Å; L478-L557 HydrophobicContact CD2-CD2 3.99Å; L478-L557 HydrophobicContact CG-CD1 4.27Å; L478-V654 HydrophobicContact CD1-CG1 4.41Å; L478-V654 HydrophobicContact CD1-CG2 3.45Å; L478-V654 VanDerWaalsContact CD1-CG2 3.45Å; L478-V654 HydrophobicContact CD2-CG2 4.04Å; L478-V654 HydrophobicContact CG-CG2 4.31Å
479	T	80.6	Confident	75.6	Confident	27 Å²	27	53.6 Å²	53.6	17%	0.166	30%	0.301	C	S	.	.	H	α-helix	trans	-65.6	-40.4	178.5	-48.6	0	0	0	0	110.5	L475 H476 P477 C482 Q483	L475-T479 HydrophobicContact CD2-CG2 4.01Å; H476-T479 WeakPolarHBondContact O-CA 3.3Å; H476-T479 VanDerWaalsContact O-CB 3.32Å; H476-T479 WeakPolarHBondContact O-CB 3.09Å; H476-T479 PolarHBondContact O-N 2.89Å; H476-T479 PolarHBondContact O-OG1 3.41Å; P477-T479 VanDerWaalsContact C-N 3.3Å; P477-T479 PolarHBondContact O-N 3.17Å; T479-C482 PolarHBondContact O-N 2.93Å; T479-Q483 WeakPolarHBondContact O-CB 3.4Å; T479-Q483 VanDerWaalsContact O-CG 3.28Å; T479-Q483 WeakPolarHBondContact O-CG 3.46Å; T479-Q483 PolarHBondContact O-N 2.88Å
480	I	83.1	Confident	76.9	Confident	4 Å²	4	55 Å²	55	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-67.2	-38.3	175.9	-60.3	168.8	0	0	0	110.9	I467 L475 H476 P477 L478 Q483 S484 L541 R545	I467-I480 HydrophobicContact CD1-CB 4.22Å; I467-I480 HydrophobicContact CD1-CG2 3.8Å; I467-I480 HydrophobicContact CG1-CD1 4.18Å; I467-I480 HydrophobicContact CG1-CG2 4.07Å; I467-I480 HydrophobicContact CG2-CD1 3.91Å; L475-I480 HydrophobicContact CB-CD1 4.04Å; L475-I480 HydrophobicContact CB-CG1 3.9Å; L475-I480 WeakPolarHBondContact O-CD1 3.42Å; H476-I480 PolarHBondContact O-N 2.98Å; P477-I480 PolarHBondContact O-N 2.74Å; P477-I480 VanDerWaalsContact O-N 3.17Å; L478-I480 VanDerWaalsContact C-N 3.34Å; I480-Q483 PolarHBondContact O-N 2.91Å; I480-S484 WeakPolarHBondContact O-CB 3.45Å; I480-S484 PolarHBondContact O-N 3Å; I480-L541 HydrophobicContact CG2-CD1 4.34Å; I480-R545 HydrophobicContact CG2-CB 4.24Å; I480-R545 HydrophobicContact CG2-CG 4.28Å
481	I	87.2	Confident	78.5	Confident	33 Å²	33	52.5 Å²	52.5	17%	0.169	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-45.2	172.1	-66	162	0	0	0	110.5	P477 L478 S484 I485 L541 L547 L557	P477-I481 VanDerWaalsContact O-CG1 3.3Å; P477-I481 WeakPolarHBondContact O-CG1 3.28Å; P477-I481 PolarHBondContact O-N 2.84Å; L478-I481 PolarHBondContact O-N 2.91Å; I481-S484 WeakPolarHBondContact O-CB 3.4Å; I481-S484 PolarHBondContact O-N 3.06Å; I481-I485 HydrophobicContact CG2-CD1 4.11Å; I481-I485 WeakPolarHBondContact O-CG1 3.39Å; I481-I485 PolarHBondContact O-N 3.4Å; I481-L541 HydrophobicContact CB-CD1 4.47Å; I481-L541 HydrophobicContact CG1-CD1 3.78Å; I481-L541 HydrophobicContact CG1-CD2 4.29Å; I481-L547 HydrophobicContact CD1-CD2 3.9Å; I481-L557 HydrophobicContact CD1-CD1 3.7Å
482	C	85.8	Confident	80.5	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-43.5	178.4	-66.3	0	0	0	0	111.9	L478 T479 S484 I485 E486 T662 L666	L478-C482 WeakPolarHBondContact O-CB 3.46Å; L478-C482 PolarHBondContact O-N 2.76Å; L478-C482 PolarHBondContact O-SG 3.27Å; T479-C482 PolarHBondContact O-N 2.93Å; C482-S484 VanDerWaalsContact C-N 3.29Å; C482-S484 PolarHBondContact O-N 3.41Å; C482-I485 PolarHBondContact O-N 3.32Å; C482-I485 VanDerWaalsContact O-N 3.15Å; C482-E486 PolarHBondContact O-N 3.15Å; C482-T662 HydrophobicContact CB-CG2 3.91Å; C482-L666 HydrophobicContact CB-CD1 3.67Å; C482-L666 WeakPolarHBondContact O-CD1 2.89Å
483	Q	83.4	Confident	82.4	Confident	58 Å²	58	39.1 Å²	39.1	27%	0.271	21%	0.214	S	C	.	.	H	α-helix	trans	-60.7	-37.4	172.2	-71	169.7	-3.4	0	0	111.9	T479 I480 E486 Q487 T662	T479-Q483 WeakPolarHBondContact O-CB 3.4Å; T479-Q483 VanDerWaalsContact O-CG 3.28Å; T479-Q483 WeakPolarHBondContact O-CG 3.46Å; T479-Q483 PolarHBondContact O-N 2.88Å; I480-Q483 PolarHBondContact O-N 2.91Å; Q483-E486 PolarHBondContact O-N 3.26Å; Q483-Q487 WeakPolarHBondContact O-CG 3.41Å; Q483-Q487 PolarHBondContact O-N 3.29Å; Q483-T662 HydrophobicContact CG-CG2 4.03Å
484	S	85.6	Confident	84.2	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-33.9	173.6	-170.3	0	0	0	0	113.7	I480 I481 C482 Q488 S542 I543	I480-S484 WeakPolarHBondContact O-CB 3.45Å; I480-S484 PolarHBondContact O-N 3Å; I481-S484 WeakPolarHBondContact O-CB 3.4Å; I481-S484 PolarHBondContact O-N 3.06Å; C482-S484 VanDerWaalsContact C-N 3.29Å; C482-S484 PolarHBondContact O-N 3.41Å; S484-Q488 WeakPolarHBondContact O-CG 3.37Å; S484-Q488 PolarHBondContact O-N 3.08Å; S484-S542 PolarHBondContact OG-N 3.11Å; S484-I543 VanDerWaalsContact CA-CD1 3.43Å
485	I	89.4	Confident	85.8	Confident	25 Å²	25	35 Å²	35	13%	0.128	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-48.2	172.8	-66.3	162.5	0	0	0	109.4	I481 C482 Q487 Q488 L489 W520 V524 L666	I481-I485 HydrophobicContact CG2-CD1 4.11Å; I481-I485 WeakPolarHBondContact O-CG1 3.39Å; I481-I485 PolarHBondContact O-N 3.4Å; C482-I485 PolarHBondContact O-N 3.32Å; C482-I485 VanDerWaalsContact O-N 3.15Å; I485-Q487 VanDerWaalsContact C-N 3.34Å; I485-Q487 PolarHBondContact O-N 3.36Å; I485-Q488 PolarHBondContact O-N 3.08Å; I485-Q488 VanDerWaalsContact O-N 3.08Å; I485-L489 HydrophobicContact CG2-CD1 4.07Å; I485-L489 HydrophobicContact CG2-CG 4.34Å; I485-L489 WeakPolarHBondContact O-CG 3.48Å; I485-L489 PolarHBondContact O-N 3.26Å; I485-W520 HydrophobicContact CG2-CE3 4.14Å; I485-W520 HydrophobicContact CG2-CH2 4.06Å; I485-W520 HydrophobicContact CG2-CZ3 3.43Å; I485-W520 VanDerWaalsContact CG2-CZ3 3.43Å; I485-V524 HydrophobicContact CG1-CG1 4.32Å; I485-L666 HydrophobicContact CB-CD1 3.88Å; I485-L666 HydrophobicContact CB-CD2 4.26Å; I485-L666 HydrophobicContact CD1-CD1 4.19Å; I485-L666 HydrophobicContact CG2-CD1 3.93Å; I485-L666 HydrophobicContact CG2-CD2 3.63Å; I485-L666 HydrophobicContact CG2-CG 4.44Å
486	E	84.7	Confident	87.2	Confident	20 Å²	20	30.7 Å²	30.7	9%	0.093	15%	0.154	C	C	.	.	H	α-helix	trans	-56.2	-44.7	179.2	179.5	167.2	-130.7	0	0	112.4	C482 Q483 Q488 L489 P490 T662 R665 L666 P676	C482-E486 PolarHBondContact O-N 3.15Å; Q483-E486 PolarHBondContact O-N 3.26Å; E486-Q488 VanDerWaalsContact C-N 3.31Å; E486-Q488 PolarHBondContact O-N 3.47Å; E486-L489 PolarHBondContact O-N 2.96Å; E486-P490 WeakPolarHBondContact O-CD 3.24Å; E486-T662 HydrophobicContact CB-CG2 4.22Å; E486-T662 WeakPolarHBondContact OE2-CG2 3.37Å; E486-R665 VanDerWaalsContact CD-NH2 3.27Å; E486-R665 IonicContact OE1-CZ 3.93Å; E486-R665 VanDerWaalsContact OE1-CZ 3.24Å; E486-R665 IonicContact OE1-NE 3.48Å; E486-R665 PolarHBondContact OE1-NE 2.8Å; E486-R665 IonicContact OE1-NH2 3.55Å; E486-R665 PolarHBondContact OE1-NH2 2.84Å; E486-R665 IonicContact OE2-CZ 3.83Å; E486-R665 IonicContact OE2-NE 2.73Å; E486-R665 IonicContact OE2-NH2 3.61Å; E486-R665 PolarHBondContact OE2-NH2 3.08Å; E486-L666 HydrophobicContact CB-CD2 4.39Å; E486-P676 HydrophobicContact CG-CB 4.01Å; E486-P676 WeakPolarHBondContact OE1-CB 3.34Å
487	Q	84.8	Confident	88	Confident	87 Å²	87	32.7 Å²	32.7	41%	0.407	16%	0.158	S	C	.	.	H	α-helix	trans	-72.2	-19.2	178.6	-68.1	-174.6	32.2	0	0	114.3	Q483 I485 I543	Q483-Q487 WeakPolarHBondContact O-CG 3.41Å; Q483-Q487 PolarHBondContact O-N 3.29Å; I485-Q487 VanDerWaalsContact C-N 3.34Å; I485-Q487 PolarHBondContact O-N 3.36Å; Q487-I543 HydrophobicContact CB-CD1 4.24Å; Q487-I543 HydrophobicContact CB-CG1 4.21Å; Q487-I543 VanDerWaalsContact CD-CD1 3.47Å; Q487-I543 HydrophobicContact CG-CD1 4.21Å
488	Q	89	Confident	88.6	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.028	17%	0.174	C	C	.	.	H	α-helix	trans	-84.9	-29.9	173.4	-74	-54.3	-50.6	0	0	113.8	S484 I485 E486 R491 I492 V524 S542	S484-Q488 WeakPolarHBondContact O-CG 3.37Å; S484-Q488 PolarHBondContact O-N 3.08Å; I485-Q488 PolarHBondContact O-N 3.08Å; I485-Q488 VanDerWaalsContact O-N 3.08Å; E486-Q488 VanDerWaalsContact C-N 3.31Å; E486-Q488 PolarHBondContact O-N 3.47Å; Q488-R491 WeakPolarHBondContact O-CA 3.28Å; Q488-R491 WeakPolarHBondContact O-CB 3.35Å; Q488-R491 PolarHBondContact O-N 2.76Å; Q488-I492 PolarHBondContact O-N 2.85Å; Q488-V524 HydrophobicContact CB-CG2 4.21Å; Q488-S542 VanDerWaalsContact CD-OG 3.31Å; Q488-S542 WeakPolarHBondContact CG-OG 3.36Å; Q488-S542 PolarHBondContact NE2-O 3.14Å; Q488-S542 PolarHBondContact NE2-OG 3.45Å
489	L	90.3	Very high	89.2	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-54	-50.5	-175.2	-82.3	168.2	0	0	0	112.2	I485 E486 R491 I492 V493 W520 L666 L669 W675 P676	I485-L489 HydrophobicContact CG2-CD1 4.07Å; I485-L489 HydrophobicContact CG2-CG 4.34Å; I485-L489 WeakPolarHBondContact O-CG 3.48Å; I485-L489 PolarHBondContact O-N 3.26Å; E486-L489 PolarHBondContact O-N 2.96Å; L489-R491 VanDerWaalsContact C-N 3.29Å; L489-R491 PolarHBondContact O-N 3.22Å; L489-I492 PolarHBondContact O-N 2.94Å; L489-V493 PolarHBondContact O-N 3.38Å; L489-W520 HydrophobicContact CD2-CB 3.87Å; L489-W520 HydrophobicContact CD2-CD2 3.81Å; L489-W520 HydrophobicContact CD2-CE3 3.92Å; L489-W520 HydrophobicContact CD2-CG 3.8Å; L489-L666 HydrophobicContact CD1-CD2 3.58Å; L489-L669 HydrophobicContact CD1-CD2 3.47Å; L489-L669 VanDerWaalsContact CD1-CD2 3.47Å; L489-L669 HydrophobicContact CD2-CD2 3.71Å; L489-L669 HydrophobicContact CG-CD2 4.26Å; L489-W675 HydrophobicContact CB-CE3 4.21Å; L489-W675 HydrophobicContact CB-CH2 4.17Å; L489-W675 HydrophobicContact CB-CZ3 3.56Å; L489-W675 HydrophobicContact CD2-CH2 3.63Å; L489-W675 HydrophobicContact CD2-CZ2 4.31Å; L489-W675 HydrophobicContact CD2-CZ3 3.89Å; L489-W675 HydrophobicContact CG-CH2 4.49Å; L489-W675 HydrophobicContact CG-CZ3 4.28Å; L489-W675 WeakPolarHBondContact O-CZ3 3.11Å; L489-P676 HydrophobicContact CD1-CG 4.01Å
490	P	89.5	Confident	89.7	Confident	62 Å²	62	35.7 Å²	35.7	40%	0.403	17%	0.174	S	C	.	.	H	α-helix	trans	-60.1	-33.3	173.8	-25.9	35.3	0	0	0	114.3	E486 V493 N494	E486-P490 WeakPolarHBondContact O-CD 3.24Å; P490-V493 PolarHBondContact O-N 3.01Å; P490-N494 WeakPolarHBondContact O-CB 3.44Å; P490-N494 PolarHBondContact O-N 3.29Å
491	R	90.8	Very high	90.1	Very high	78 Å²	78	35.5 Å²	35.5	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-66.7	-41.2	176.8	-60.7	174.5	174.6	-107.7	-1.9	111.3	M450 D451 Q488 L489 V493 N494 W495	M450-R491 HydrophobicContact CE-CB 3.82Å; M450-R491 PolarHBondContact O-NH1 3.39Å; D451-R491 PolarHBondContact O-NH1 3.32Å; Q488-R491 WeakPolarHBondContact O-CA 3.28Å; Q488-R491 WeakPolarHBondContact O-CB 3.35Å; Q488-R491 PolarHBondContact O-N 2.76Å; L489-R491 VanDerWaalsContact C-N 3.29Å; L489-R491 PolarHBondContact O-N 3.22Å; R491-V493 VanDerWaalsContact C-N 3.34Å; R491-N494 PolarHBondContact O-N 2.96Å; R491-W495 WeakPolarHBondContact O-CB 3.49Å; R491-W495 PolarHBondContact O-N 3.05Å
492	I	93.2	Very high	90.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-62.1	-42	176.2	-68.9	168.7	0	0	0	110.6	M450 Q488 L489 W495 A496 I516 L523 V524	M450-I492 HydrophobicContact CE-CG1 3.72Å; Q488-I492 PolarHBondContact O-N 2.85Å; L489-I492 PolarHBondContact O-N 2.94Å; I492-W495 PolarHBondContact O-N 3.49Å; I492-A496 WeakPolarHBondContact O-CB 3.47Å; I492-A496 PolarHBondContact O-N 3.44Å; I492-I516 HydrophobicContact CG2-CG2 4.2Å; I492-L523 HydrophobicContact CD1-CB 3.98Å; I492-L523 HydrophobicContact CG1-CB 4.44Å; I492-L523 HydrophobicContact CG2-CB 4.47Å; I492-L523 HydrophobicContact CG2-CD1 3.77Å; I492-V524 HydrophobicContact CD1-CG2 3.56Å
493	V	92.5	Very high	90.4	Very high	21 Å²	21	37.1 Å²	37.1	13%	0.127	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-43.9	175.1	179.5	0	0	0	0	111.2	L489 P490 R491 A496 R497 I516 W675	L489-V493 PolarHBondContact O-N 3.38Å; P490-V493 PolarHBondContact O-N 3.01Å; R491-V493 VanDerWaalsContact C-N 3.34Å; V493-A496 PolarHBondContact O-N 3.32Å; V493-R497 WeakPolarHBondContact O-CB 3.45Å; V493-R497 VanDerWaalsContact O-CG 3.3Å; V493-R497 WeakPolarHBondContact O-CG 3.49Å; V493-R497 PolarHBondContact O-N 3.29Å; V493-I516 HydrophobicContact CB-CD1 4.47Å; V493-I516 HydrophobicContact CG1-CD1 4.45Å; V493-I516 HydrophobicContact CG2-CD1 4.09Å; V493-W675 HydrophobicContact CG2-CE3 4.15Å; V493-W675 HydrophobicContact CG2-CH2 3.29Å; V493-W675 HydrophobicContact CG2-CZ2 4.06Å; V493-W675 HydrophobicContact CG2-CZ3 3.3Å
494	N	92	Very high	90.5	Very high	91 Å²	91	35.8 Å²	35.8	49%	0.487	18%	0.184	S	C	.	.	H	α-helix	trans	-68.2	-33	179.1	-167.6	54.3	0	0	0	113.2	P490 R491 Q498	P490-N494 WeakPolarHBondContact O-CB 3.44Å; P490-N494 PolarHBondContact O-N 3.29Å; R491-N494 PolarHBondContact O-N 2.96Å; N494-Q498 WeakPolarHBondContact O-CG 3.42Å; N494-Q498 PolarHBondContact O-N 3.04Å; N494-Q498 PolarHBondContact O-NE2 3.17Å
495	W	94.8	Very high	90.5	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-49.3	171.2	166.4	92.8	0	0	0	111.5	E447 M450 R491 I492 R497 Q498 L499 L523 R586 L590	E447-W495 PolarHBondContact OE2-NE1 2.96Å; M450-W495 HydrophobicContact CG-CB 3.57Å; M450-W495 HydrophobicContact CG-CG 3.82Å; M450-W495 HydrophobicContact SD-CB 3.48Å; M450-W495 WeakPolarHBondContact SD-CB 3.3Å; M450-W495 VanDerWaalsContact SD-CD1 3.51Å; M450-W495 HydrophobicContact SD-CD2 4.06Å; M450-W495 HydrophobicContact SD-CG 3.42Å; R491-W495 WeakPolarHBondContact O-CB 3.49Å; R491-W495 PolarHBondContact O-N 3.05Å; I492-W495 PolarHBondContact O-N 3.49Å; W495-R497 VanDerWaalsContact C-N 3.29Å; W495-R497 PolarHBondContact O-N 3.26Å; W495-Q498 PolarHBondContact O-N 2.86Å; W495-Q498 VanDerWaalsContact O-N 3.07Å; W495-L499 HydrophobicContact CH2-CD1 4.37Å; W495-L499 HydrophobicContact CZ2-CD1 4.4Å; W495-L523 HydrophobicContact CH2-CD2 4.05Å; W495-L523 HydrophobicContact CZ3-CD1 3.89Å; W495-L523 HydrophobicContact CZ3-CD2 4.17Å; W495-R586 HydrophobicContact CH2-CB 3.8Å; W495-R586 HydrophobicContact CZ2-CB 3.5Å; W495-L590 HydrophobicContact CH2-CB 4Å; W495-L590 HydrophobicContact CH2-CD2 4.07Å; W495-L590 HydrophobicContact CZ3-CB 4.05Å; W495-L590 HydrophobicContact CZ3-CD1 4.38Å; W495-L590 HydrophobicContact CZ3-CD2 3.72Å; W495-L590 HydrophobicContact CZ3-CG 4.25Å
496	A	95.3	Very high	90.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-42.6	177.7	0	0	0	0	0	111.2	I492 V493 Q498 L499 F502 I516 L590	I492-A496 WeakPolarHBondContact O-CB 3.47Å; I492-A496 PolarHBondContact O-N 3.44Å; V493-A496 PolarHBondContact O-N 3.32Å; A496-Q498 PolarHBondContact O-N 3.43Å; A496-L499 WeakPolarHBondContact O-CB 3.33Å; A496-L499 PolarHBondContact O-N 3.4Å; A496-F502 HydrophobicContact CB-CD1 3.92Å; A496-F502 HydrophobicContact CB-CD2 4.3Å; A496-F502 HydrophobicContact CB-CE1 3.87Å; A496-F502 HydrophobicContact CB-CE2 4.24Å; A496-F502 HydrophobicContact CB-CG 4.15Å; A496-F502 HydrophobicContact CB-CZ 4.05Å; A496-F502 VanDerWaalsContact O-CB 3.3Å; A496-F502 WeakPolarHBondContact O-CB 3.3Å; A496-F502 WeakPolarHBondContact O-CD1 3.23Å; A496-I516 HydrophobicContact CB-CD1 4.02Å; A496-I516 HydrophobicContact CB-CG1 4.46Å; A496-L590 HydrophobicContact CB-CD2 4.04Å
497	R	93.4	Very high	90.6	Very high	130 Å²	130	41.2 Å²	41.2	49%	0.491	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-18.8	177.3	-73.7	173.4	174.8	165.1	-2.9	115.2	V493 W495 L499 S503	V493-R497 WeakPolarHBondContact O-CB 3.45Å; V493-R497 VanDerWaalsContact O-CG 3.3Å; V493-R497 WeakPolarHBondContact O-CG 3.49Å; V493-R497 PolarHBondContact O-N 3.29Å; W495-R497 VanDerWaalsContact C-N 3.29Å; W495-R497 PolarHBondContact O-N 3.26Å; R497-L499 VanDerWaalsContact C-N 3.33Å; R497-S503 VanDerWaalsContact CA-OG 3.3Å; R497-S503 WeakPolarHBondContact CA-OG 3.31Å; R497-S503 PolarHBondContact O-OG 3.16Å
498	Q	93.1	Very high	91	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.35	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.1	173.6	-74	166.8	80.6	0	0	113.3	A446 S449 N494 W495 A496 P500	A446-Q498 HydrophobicContact CB-CB 3.87Å; S449-Q498 PolarHBondContact OG-NE2 3.45Å; S449-Q498 PolarHBondContact OG-OE1 3.04Å; N494-Q498 WeakPolarHBondContact O-CG 3.42Å; N494-Q498 PolarHBondContact O-N 3.04Å; N494-Q498 PolarHBondContact O-NE2 3.17Å; W495-Q498 PolarHBondContact O-N 2.86Å; W495-Q498 VanDerWaalsContact O-N 3.07Å; A496-Q498 PolarHBondContact O-N 3.43Å; Q498-P500 WeakPolarHBondContact O-CD 3.4Å
499	L	94.4	Very high	91.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-84.6	118.4	177.3	-52.8	-174.9	0	0	0	109.5	L438 L443 A446 W495 A496 R497 V501 F502 S503 L590 F591	L438-L499 HydrophobicContact CD1-CB 4.25Å; L438-L499 HydrophobicContact CD1-CD2 4.37Å; L443-L499 HydrophobicContact CD2-CD2 3.92Å; A446-L499 HydrophobicContact CB-CD2 3.85Å; W495-L499 HydrophobicContact CH2-CD1 4.37Å; W495-L499 HydrophobicContact CZ2-CD1 4.4Å; A496-L499 WeakPolarHBondContact O-CB 3.33Å; A496-L499 PolarHBondContact O-N 3.4Å; R497-L499 VanDerWaalsContact C-N 3.33Å; L499-V501 PolarHBondContact O-N 3.14Å; L499-F502 HydrophobicContact CB-CB 4.12Å; L499-F502 PolarHBondContact O-N 2.8Å; L499-S503 PolarHBondContact O-N 2.89Å; L499-L590 HydrophobicContact CD1-CD2 3.9Å; L499-F591 HydrophobicContact CD1-CE2 3.96Å; L499-F591 HydrophobicContact CD1-CZ 4.29Å
500	P	91.1	Very high	91.1	Very high	51 Å²	51	48.3 Å²	48.3	33%	0.331	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.3	-171.5	-29.3	35.8	0	0	0	114.9	P436 C442 Q498 S504	P436-P500 HydrophobicContact CB-CB 4.21Å; C442-P500 HydrophobicContact CB-CG 4.43Å; Q498-P500 WeakPolarHBondContact O-CD 3.4Å; P500-S504 VanDerWaalsContact O-CB 3.25Å; P500-S504 WeakPolarHBondContact O-CB 3.34Å; P500-S504 PolarHBondContact O-OG 3.04Å
501	V	91.3	Very high	91.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-42.1	176.5	176.6	0	0	0	0	111.4	L435 P436 L438 L499 S504 Y506 L507 F591 V607	L435-V501 HydrophobicContact CD1-CG1 4.08Å; L435-V501 HydrophobicContact CD1-CG2 3.95Å; P436-V501 HydrophobicContact CB-CG2 4.14Å; P436-V501 VanDerWaalsContact O-CG2 3.25Å; P436-V501 WeakPolarHBondContact O-CG2 3.37Å; L438-V501 HydrophobicContact CB-CG2 3.96Å; L438-V501 HydrophobicContact CD2-CG2 4.4Å; L499-V501 PolarHBondContact O-N 3.14Å; V501-S504 PolarHBondContact O-OG 3.09Å; V501-Y506 HydrophobicContact CG1-CD1 3.88Å; V501-Y506 HydrophobicContact CG1-CE1 4.38Å; V501-L507 HydrophobicContact CG1-CD1 4.43Å; V501-F591 HydrophobicContact CB-CE1 4.49Å; V501-F591 HydrophobicContact CB-CZ 4.24Å; V501-F591 HydrophobicContact CG1-CE1 4.02Å; V501-F591 HydrophobicContact CG1-CZ 4.25Å; V501-V607 HydrophobicContact CG1-CG1 4.24Å; V501-V607 HydrophobicContact CG1-CG2 3.59Å
502	F	92.3	Very high	91.4	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.018	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-45.8	-171.2	-173	-87.5	0	0	0	112.4	A496 L499 S504 Q512 L515 I516 L590 F591	A496-F502 HydrophobicContact CB-CD1 3.92Å; A496-F502 HydrophobicContact CB-CD2 4.3Å; A496-F502 HydrophobicContact CB-CE1 3.87Å; A496-F502 HydrophobicContact CB-CE2 4.24Å; A496-F502 HydrophobicContact CB-CG 4.15Å; A496-F502 HydrophobicContact CB-CZ 4.05Å; A496-F502 VanDerWaalsContact O-CB 3.3Å; A496-F502 WeakPolarHBondContact O-CB 3.3Å; A496-F502 WeakPolarHBondContact O-CD1 3.23Å; L499-F502 HydrophobicContact CB-CB 4.12Å; L499-F502 PolarHBondContact O-N 2.8Å; F502-S504 VanDerWaalsContact C-N 3.33Å; F502-S504 PolarHBondContact O-N 3.21Å; F502-Q512 HydrophobicContact CD1-CG 4.19Å; F502-Q512 HydrophobicContact CD2-CG 4.4Å; F502-Q512 HydrophobicContact CE1-CB 3.89Å; F502-Q512 HydrophobicContact CE1-CG 3.83Å; F502-Q512 HydrophobicContact CE2-CB 4Å; F502-Q512 HydrophobicContact CE2-CG 4.07Å; F502-Q512 HydrophobicContact CG-CG 4.44Å; F502-Q512 HydrophobicContact CZ-CB 3.47Å; F502-Q512 VanDerWaalsContact CZ-CB 3.47Å; F502-Q512 HydrophobicContact CZ-CG 3.76Å; F502-Q512 WeakPolarHBondContact CZ-O 3.45Å; F502-Q512 VanDerWaalsContact O-CG 3.3Å; F502-Q512 WeakPolarHBondContact O-CG 3.3Å; F502-Q512 PolarHBondContact O-NE2 2.97Å; F502-L515 HydrophobicContact CD2-CD1 4.5Å; F502-L515 HydrophobicContact CE2-CB 4.34Å; F502-L515 HydrophobicContact CE2-CD1 4.34Å; F502-I516 HydrophobicContact CE1-CD1 4.06Å; F502-I516 HydrophobicContact CE2-CD1 4.32Å; F502-I516 HydrophobicContact CE2-CG1 4.04Å; F502-I516 HydrophobicContact CZ-CD1 3.49Å; F502-I516 VanDerWaalsContact CZ-CD1 3.49Å; F502-I516 HydrophobicContact CZ-CG1 3.67Å; F502-L590 HydrophobicContact CD2-CD2 3.93Å; F502-L590 HydrophobicContact CE2-CD1 4.24Å; F502-L590 HydrophobicContact CE2-CD2 4.34Å; F502-F591 HydrophobicContact CB-CE1 4.38Å; F502-F591 HydrophobicContact CB-CZ 4.14Å; F502-F591 HydrophobicContact CD2-CE1 4.26Å
503	S	88.3	Confident	91.4	Very high	65 Å²	65	46.6 Å²	46.6	46%	0.455	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	18.6	179.6	-78.9	0	0	0	0	114.7	R497 L499	R497-S503 VanDerWaalsContact CA-OG 3.3Å; R497-S503 WeakPolarHBondContact CA-OG 3.31Å; R497-S503 PolarHBondContact O-OG 3.16Å; L499-S503 PolarHBondContact O-N 2.89Å
504	S	85.5	Confident	91.4	Very high	30 Å²	30	46.8 Å²	46.8	21%	0.21	25%	0.246	C	C	.	.	S	Bend	trans	-101.3	165.9	173	72.7	0	0	0	0	112.1	P436 P500 V501 F502 Y506 L507	P436-S504 WeakPolarHBondContact CG-OG 3.48Å; P500-S504 VanDerWaalsContact O-CB 3.25Å; P500-S504 WeakPolarHBondContact O-CB 3.34Å; P500-S504 PolarHBondContact O-OG 3.04Å; V501-S504 PolarHBondContact O-OG 3.09Å; F502-S504 VanDerWaalsContact C-N 3.33Å; F502-S504 PolarHBondContact O-N 3.21Å; S504-Y506 PolarHBondContact O-N 3.32Å; S504-Y506 WeakPolarHBondContact OG-CB 3.23Å; S504-Y506 PolarHBondContact OG-N 2.87Å; S504-L507 PolarHBondContact O-N 2.9Å
505	V	84.6	Confident	91.6	Very high	135 Å²	135	42.4 Å²	42.4	82%	0.818	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-4.2	171.5	-164.7	0	0	0	0	112.8	L507	V505-L507 VanDerWaalsContact C-N 3.27Å; V505-L507 PolarHBondContact O-N 2.92Å
506	Y	87.6	Confident	91.6	Very high	24 Å²	24	42.9 Å²	42.9	9%	0.094	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.5	173.5	-167.6	-103.7	0	0	0	112.5	T433 L435 V501 S504 R603 V607	T433-Y506 WeakPolarHBondContact O-CE2 3.31Å; L435-Y506 HydrophobicContact CB-CE2 3.94Å; L435-Y506 HydrophobicContact CD1-CD1 3.79Å; L435-Y506 HydrophobicContact CD1-CD2 4.38Å; L435-Y506 HydrophobicContact CD1-CE1 3.31Å; L435-Y506 HydrophobicContact CD1-CE2 3.99Å; L435-Y506 HydrophobicContact CD1-CG 4.31Å; L435-Y506 VanDerWaalsContact CD1-CZ 3.44Å; V501-Y506 HydrophobicContact CG1-CD1 3.88Å; V501-Y506 HydrophobicContact CG1-CE1 4.38Å; S504-Y506 PolarHBondContact O-N 3.32Å; S504-Y506 WeakPolarHBondContact OG-CB 3.23Å; S504-Y506 PolarHBondContact OG-N 2.87Å; Y506-R603 HydrophobicContact CD1-CB 4.24Å; Y506-R603 HydrophobicContact CE1-CB 3.51Å; Y506-R603 HydrophobicContact CE1-CG 4.08Å; Y506-R603 HydrophobicContact CE2-CG 4.31Å; Y506-R603 WeakPolarHBondContact O-CD 3.33Å; Y506-R603 PolarHBondContact O-NH1 3.24Å; Y506-V607 HydrophobicContact CE1-CG2 3.97Å
507	L	89.7	Confident	91.4	Very high	3 Å²	3	46 Å²	46	2%	0.016	24%	0.239	C	C	.	.	S	Bend	trans	-123.8	133.5	175.2	-61.5	178.6	0	0	0	110.7	V501 S504 V505 Q512 L515 F591 R603 V604	V501-L507 HydrophobicContact CG1-CD1 4.43Å; S504-L507 PolarHBondContact O-N 2.9Å; V505-L507 VanDerWaalsContact C-N 3.27Å; V505-L507 PolarHBondContact O-N 2.92Å; L507-Q512 HydrophobicContact CB-CG 4.26Å; L507-Q512 PolarHBondContact O-NE2 3.24Å; L507-L515 HydrophobicContact CD1-CD1 3.89Å; L507-F591 HydrophobicContact CD1-CD1 4.36Å; L507-F591 HydrophobicContact CD1-CE1 3.94Å; L507-R603 HydrophobicContact CD2-CB 4.13Å; L507-V604 HydrophobicContact CD2-CG2 3.87Å
508	S	91.4	Very high	91.4	Very high	43 Å²	43	41.5 Å²	41.5	30%	0.301	23%	0.23	S	C	.	.			trans	-66.1	161.6	174.8	61.5	0	0	0	0	111.8	D510 D511 Q512	S508-D510 VanDerWaalsContact C-N 3.28Å; S508-D510 PolarHBondContact O-N 2.83Å; S508-D511 PolarHBondContact O-N 2.94Å; S508-D511 WeakPolarHBondContact OG-CB 3.13Å; S508-D511 PolarHBondContact OG-N 3.2Å; S508-D511 VanDerWaalsContact OG-N 3.12Å; S508-D511 PolarHBondContact OG-OD1 3.34Å; S508-D511 VanDerWaalsContact OG-OD1 3.12Å; S508-Q512 WeakPolarHBondContact O-CB 3.36Å; S508-Q512 VanDerWaalsContact O-CG 3.31Å; S508-Q512 WeakPolarHBondContact O-CG 3.49Å; S508-Q512 PolarHBondContact O-N 3.2Å
509	F	90.9	Very high	91.5	Very high	114 Å²	114	38 Å²	38	50%	0.5	21%	0.213	S	C	.	.	H	α-helix	trans	-62.7	-35.1	174	-71.6	-63.6	0	0	0	112.5	Q512 F513 F743	F509-Q512 PolarHBondContact O-N 3.43Å; F509-F513 WeakPolarHBondContact O-CB 3.18Å; F509-F513 PolarHBondContact O-N 3.16Å; F509-F743 HydrophobicContact CE1-CE1 4.11Å; F509-F743 HydrophobicContact CZ-CE1 4.28Å
510	D	90.6	Very high	91.5	Very high	85 Å²	85	38.5 Å²	38.5	46%	0.455	22%	0.215	S	C	.	.	H	α-helix	trans	-61.2	-45.5	172	-55.6	-75.1	0	0	0	111.5	Y65 S508 F513 C514	Y65-D510 PolarHBondContact OH-OD1 2.85Å; S508-D510 VanDerWaalsContact C-N 3.28Å; S508-D510 PolarHBondContact O-N 2.83Å; D510-F513 PolarHBondContact O-N 3.01Å; D510-C514 WeakPolarHBondContact O-CB 3.49Å; D510-C514 PolarHBondContact O-N 2.95Å; D510-C514 PolarHBondContact O-SG 2.71Å; D510-C514 VanDerWaalsContact O-SG 3.39Å
511	D	94.1	Very high	91.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-44.6	178.5	-75.4	23.8	0	0	0	110.7	S508 F513 C514 L515 L598 S599 S600	S508-D511 PolarHBondContact O-N 2.94Å; S508-D511 WeakPolarHBondContact OG-CB 3.13Å; S508-D511 PolarHBondContact OG-N 3.2Å; S508-D511 VanDerWaalsContact OG-N 3.12Å; S508-D511 PolarHBondContact OG-OD1 3.34Å; S508-D511 VanDerWaalsContact OG-OD1 3.12Å; D511-F513 VanDerWaalsContact C-N 3.33Å; D511-F513 PolarHBondContact O-N 2.79Å; D511-C514 PolarHBondContact O-N 3.46Å; D511-L515 VanDerWaalsContact O-CG 3.29Å; D511-L515 WeakPolarHBondContact O-CG 3.18Å; D511-L515 PolarHBondContact O-N 3.05Å; D511-L598 HydrophobicContact CB-CD2 3.84Å; D511-S599 WeakPolarHBondContact OD1-CB 3.35Å; D511-S599 PolarHBondContact OD1-N 3.44Å; D511-S599 PolarHBondContact OD1-OG 3.11Å; D511-S599 PolarHBondContact OD2-N 3.34Å; D511-S600 WeakPolarHBondContact OD2-CA 3.31Å; D511-S600 WeakPolarHBondContact OD2-CB 3.13Å; D511-S600 PolarHBondContact OD2-N 3.14Å
512	Q	94.2	Very high	91.9	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-54.1	-46.8	173.2	-74.6	171.8	50.4	0	0	111.8	F502 L507 S508 F509 L515 I516	F502-Q512 HydrophobicContact CD1-CG 4.19Å; F502-Q512 HydrophobicContact CD2-CG 4.4Å; F502-Q512 HydrophobicContact CE1-CB 3.89Å; F502-Q512 HydrophobicContact CE1-CG 3.83Å; F502-Q512 HydrophobicContact CE2-CB 4Å; F502-Q512 HydrophobicContact CE2-CG 4.07Å; F502-Q512 HydrophobicContact CG-CG 4.44Å; F502-Q512 HydrophobicContact CZ-CB 3.47Å; F502-Q512 VanDerWaalsContact CZ-CB 3.47Å; F502-Q512 HydrophobicContact CZ-CG 3.76Å; F502-Q512 WeakPolarHBondContact CZ-O 3.45Å; F502-Q512 VanDerWaalsContact O-CG 3.3Å; F502-Q512 WeakPolarHBondContact O-CG 3.3Å; F502-Q512 PolarHBondContact O-NE2 2.97Å; L507-Q512 HydrophobicContact CB-CG 4.26Å; L507-Q512 PolarHBondContact O-NE2 3.24Å; S508-Q512 WeakPolarHBondContact O-CB 3.36Å; S508-Q512 VanDerWaalsContact O-CG 3.31Å; S508-Q512 WeakPolarHBondContact O-CG 3.49Å; S508-Q512 PolarHBondContact O-N 3.2Å; F509-Q512 PolarHBondContact O-N 3.43Å; Q512-L515 PolarHBondContact O-N 3.42Å; Q512-I516 PolarHBondContact O-N 3.33Å
513	F	91.6	Very high	92.1	Very high	89 Å²	89	37.1 Å²	37.1	39%	0.39	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-46	177	174.6	-96.2	0	0	0	112.1	F509 D510 D511 L515 I516 K517 G673 W675	F509-F513 WeakPolarHBondContact O-CB 3.18Å; F509-F513 PolarHBondContact O-N 3.16Å; D510-F513 PolarHBondContact O-N 3.01Å; D511-F513 VanDerWaalsContact C-N 3.33Å; D511-F513 PolarHBondContact O-N 2.79Å; F513-L515 VanDerWaalsContact C-N 3.32Å; F513-L515 PolarHBondContact O-N 3.43Å; F513-I516 PolarHBondContact O-N 3.28Å; F513-K517 HydrophobicContact CE1-CD 4.12Å; F513-K517 HydrophobicContact CZ-CD 4.23Å; F513-K517 WeakPolarHBondContact O-CB 3.36Å; F513-K517 PolarHBondContact O-N 3.46Å; F513-G673 WeakPolarHBondContact CZ-O 3.49Å; F513-W675 AromaticContact CE2-CD1 3.88Å; F513-W675 AromaticContact CE2-NE1 3.77Å
514	C	93.1	Very high	92.4	Very high	24 Å²	24	34.7 Å²	34.7	16%	0.162	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-40.6	176.7	-79.4	0	0	0	0	112.5	D510 D511 A518 N596 L598	D510-C514 WeakPolarHBondContact O-CB 3.49Å; D510-C514 PolarHBondContact O-N 2.95Å; D510-C514 PolarHBondContact O-SG 2.71Å; D510-C514 VanDerWaalsContact O-SG 3.39Å; D511-C514 PolarHBondContact O-N 3.46Å; C514-A518 WeakPolarHBondContact O-CB 3.13Å; C514-A518 PolarHBondContact O-N 3.39Å; C514-N596 PolarHBondContact SG-O 3.04Å; C514-L598 HydrophobicContact CB-CD2 3.91Å
515	L	95.9	Very high	92.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-50.5	175.9	-66.9	178.2	0	0	0	111.7	F502 L507 D511 Q512 F513 A518 A519 L590 F591 A595 L598 V604	F502-L515 HydrophobicContact CD2-CD1 4.5Å; F502-L515 HydrophobicContact CE2-CB 4.34Å; F502-L515 HydrophobicContact CE2-CD1 4.34Å; L507-L515 HydrophobicContact CD1-CD1 3.89Å; D511-L515 VanDerWaalsContact O-CG 3.29Å; D511-L515 WeakPolarHBondContact O-CG 3.18Å; D511-L515 PolarHBondContact O-N 3.05Å; Q512-L515 PolarHBondContact O-N 3.42Å; F513-L515 VanDerWaalsContact C-N 3.32Å; F513-L515 PolarHBondContact O-N 3.43Å; L515-A518 PolarHBondContact O-N 3.2Å; L515-A519 WeakPolarHBondContact O-CB 3.29Å; L515-A519 PolarHBondContact O-N 2.87Å; L515-L590 HydrophobicContact CB-CD1 4.26Å; L515-L590 WeakPolarHBondContact CD2-O 3.18Å; L515-F591 HydrophobicContact CD1-CD1 4.02Å; L515-F591 HydrophobicContact CD1-CE1 4.43Å; L515-A595 HydrophobicContact CD2-CB 4.26Å; L515-L598 HydrophobicContact CD2-CD1 4.08Å; L515-L598 HydrophobicContact CD2-CD2 3.91Å; L515-L598 HydrophobicContact CG-CD2 4.04Å; L515-V604 HydrophobicContact CD1-CG1 4.4Å; L515-V604 HydrophobicContact CD1-CG2 4.28Å; L515-V604 HydrophobicContact CD2-CG1 3.73Å; L515-V604 HydrophobicContact CD2-CG2 4.27Å
516	I	94.7	Very high	93.4	Very high	11 Å²	11	27.5 Å²	27.5	6%	0.056	14%	0.143	C	C	.	.	H	α-helix	trans	-67.1	-41.3	179.5	-55.2	179.3	0	0	0	111	I492 V493 A496 F502 Q512 F513 A518 A519 W520 L590 W675	I492-I516 HydrophobicContact CG2-CG2 4.2Å; V493-I516 HydrophobicContact CB-CD1 4.47Å; V493-I516 HydrophobicContact CG1-CD1 4.45Å; V493-I516 HydrophobicContact CG2-CD1 4.09Å; A496-I516 HydrophobicContact CB-CD1 4.02Å; A496-I516 HydrophobicContact CB-CG1 4.46Å; F502-I516 HydrophobicContact CE1-CD1 4.06Å; F502-I516 HydrophobicContact CE2-CD1 4.32Å; F502-I516 HydrophobicContact CE2-CG1 4.04Å; F502-I516 HydrophobicContact CZ-CD1 3.49Å; F502-I516 VanDerWaalsContact CZ-CD1 3.49Å; F502-I516 HydrophobicContact CZ-CG1 3.67Å; Q512-I516 PolarHBondContact O-N 3.33Å; F513-I516 PolarHBondContact O-N 3.28Å; I516-A518 PolarHBondContact O-N 2.88Å; I516-A519 PolarHBondContact O-N 3.18Å; I516-A519 VanDerWaalsContact O-N 3.15Å; I516-W520 PolarHBondContact O-N 3.33Å; I516-L590 HydrophobicContact CG1-CD1 4.01Å; I516-W675 HydrophobicContact CB-CZ2 4.46Å; I516-W675 HydrophobicContact CG2-CH2 3.75Å; I516-W675 HydrophobicContact CG2-CZ2 3.54Å
517	K	91.5	Very high	93.7	Very high	64 Å²	64	26.5 Å²	26.5	28%	0.278	14%	0.139	S	C	.	.	H	α-helix	trans	-58.7	-36.6	177.1	-173.2	174.1	-179.3	-179.8	0	111.7	F513 L669 E671 H672 G673	F513-K517 HydrophobicContact CE1-CD 4.12Å; F513-K517 HydrophobicContact CZ-CD 4.23Å; F513-K517 WeakPolarHBondContact O-CB 3.36Å; F513-K517 PolarHBondContact O-N 3.46Å; K517-L669 WeakPolarHBondContact CE-O 3.32Å; K517-E671 PolarHBondContact NZ-O 2.93Å; K517-H672 VanDerWaalsContact NZ-C 3.33Å; K517-H672 PolarHBondContact NZ-O 2.7Å; K517-G673 VanDerWaalsContact NZ-N 3.16Å
518	A	93.2	Very high	93.9	Very high	37 Å²	37	26.7 Å²	26.7	31%	0.306	14%	0.141	S	C	.	.	H	α-helix	trans	-77.7	-30.7	176.6	0	0	0	0	0	114	C514 L515 I516 A595	C514-A518 WeakPolarHBondContact O-CB 3.13Å; C514-A518 PolarHBondContact O-N 3.39Å; L515-A518 PolarHBondContact O-N 3.2Å; I516-A518 PolarHBondContact O-N 2.88Å; A518-A595 HydrophobicContact CB-CB 3.72Å
519	A	96.1	Very high	94.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-99	-24.4	-168.7	0	0	0	0	0	115.3	L515 I516 E522 L523 I589 L590	L515-A519 WeakPolarHBondContact O-CB 3.29Å; L515-A519 PolarHBondContact O-N 2.87Å; I516-A519 PolarHBondContact O-N 3.18Å; I516-A519 VanDerWaalsContact O-N 3.15Å; A519-E522 PolarHBondContact O-N 3.4Å; A519-L523 HydrophobicContact CB-CD1 3.74Å; A519-L523 HydrophobicContact CB-CG 4.23Å; A519-L523 WeakPolarHBondContact O-CG 3.5Å; A519-L523 PolarHBondContact O-N 3.28Å; A519-I589 HydrophobicContact CB-CG2 4.09Å; A519-L590 HydrophobicContact CB-CD1 4.32Å
520	W	94.1	Very high	94.2	Very high	10 Å²	10	19.3 Å²	19.3	4%	0.038	10%	0.103	C	C	.	.	H	α-helix	trans	-54.7	-37.8	-170.4	79.6	-98.3	0	0	0	116	I485 L489 I516 E522 L523 V524 L648 L651 L669 V670	I485-W520 HydrophobicContact CG2-CE3 4.14Å; I485-W520 HydrophobicContact CG2-CH2 4.06Å; I485-W520 HydrophobicContact CG2-CZ3 3.43Å; I485-W520 VanDerWaalsContact CG2-CZ3 3.43Å; L489-W520 HydrophobicContact CD2-CB 3.87Å; L489-W520 HydrophobicContact CD2-CD2 3.81Å; L489-W520 HydrophobicContact CD2-CE3 3.92Å; L489-W520 HydrophobicContact CD2-CG 3.8Å; I516-W520 PolarHBondContact O-N 3.33Å; W520-E522 PolarHBondContact O-N 3.39Å; W520-L523 PolarHBondContact O-N 2.96Å; W520-V524 HydrophobicContact CE3-CG2 4.17Å; W520-V524 WeakPolarHBondContact O-CG2 3.48Å; W520-V524 PolarHBondContact O-N 3.15Å; W520-L648 HydrophobicContact CH2-CD2 3.97Å; W520-L648 HydrophobicContact CZ2-CD2 4.02Å; W520-L651 HydrophobicContact CH2-CD2 4.36Å; W520-L669 HydrophobicContact CD2-CD2 4.29Å; W520-L669 HydrophobicContact CZ2-CD2 4.16Å; W520-L669 HydrophobicContact CZ2-CG 4.49Å; W520-V670 HydrophobicContact CZ2-CG2 3.87Å
521	P	94.1	Very high	94.3	Very high	19 Å²	19	15.9 Å²	15.9	12%	0.123	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-40.6	-177.4	-17.4	31.1	0	0	0	111.5	L525 A644 L648	P521-L525 VanDerWaalsContact O-CB 3.31Å; P521-L525 WeakPolarHBondContact O-CB 3.32Å; P521-L525 PolarHBondContact O-N 3.35Å; P521-A644 HydrophobicContact CB-CB 4.34Å; P521-L648 HydrophobicContact CB-CD1 4.26Å; P521-L648 HydrophobicContact CB-CD2 4.26Å; P521-L648 HydrophobicContact CB-CG 4.29Å; P521-L648 HydrophobicContact CG-CD1 3.93Å; P521-L648 HydrophobicContact CG-CD2 4.12Å; P521-L648 HydrophobicContact CG-CG 4.34Å
522	E	97	Very high	94.2	Very high	9 Å²	9	15.9 Å²	15.9	4%	0.042	8%	0.084	C	C	.	.	H	α-helix	trans	-69.2	-38.1	175.2	-64.9	-178.6	-75.5	0	0	111.6	A519 W520 L525 I526 I589 L640 R641 A644	A519-E522 PolarHBondContact O-N 3.4Å; W520-E522 PolarHBondContact O-N 3.39Å; E522-L525 PolarHBondContact O-N 3.33Å; E522-I526 WeakPolarHBondContact O-CB 3.3Å; E522-I526 VanDerWaalsContact O-CG2 3.3Å; E522-I526 WeakPolarHBondContact O-CG2 3.47Å; E522-I526 PolarHBondContact O-N 2.83Å; E522-I589 HydrophobicContact CB-CD1 4.39Å; E522-I589 HydrophobicContact CB-CG2 3.63Å; E522-L640 HydrophobicContact CB-CD2 3.56Å; E522-L640 HydrophobicContact CG-CD2 3.79Å; E522-R641 IonicContact OE1-CZ 3.61Å; E522-R641 IonicContact OE1-NE 2.73Å; E522-R641 PolarHBondContact OE1-NE 3.25Å; E522-R641 VanDerWaalsContact OE1-NE 3.14Å; E522-R641 IonicContact OE1-NH2 2.74Å; E522-R641 PolarHBondContact OE1-NH2 2.57Å; E522-R641 IonicContact OE2-CZ 3.4Å; E522-R641 IonicContact OE2-NE 2.68Å; E522-R641 PolarHBondContact OE2-NE 2.85Å; E522-R641 IonicContact OE2-NH2 3.63Å; E522-R641 PolarHBondContact OE2-NH2 3.5Å; E522-A644 HydrophobicContact CG-CB 3.82Å
523	L	96.2	Very high	94.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.3	-32.5	177.9	-68.6	173.2	0	0	0	113	I492 W495 A519 W520 S527 R586 I589 L590	I492-L523 HydrophobicContact CD1-CB 3.98Å; I492-L523 HydrophobicContact CG1-CB 4.44Å; I492-L523 HydrophobicContact CG2-CB 4.47Å; I492-L523 HydrophobicContact CG2-CD1 3.77Å; W495-L523 HydrophobicContact CH2-CD2 4.05Å; W495-L523 HydrophobicContact CZ3-CD1 3.89Å; W495-L523 HydrophobicContact CZ3-CD2 4.17Å; A519-L523 HydrophobicContact CB-CD1 3.74Å; A519-L523 HydrophobicContact CB-CG 4.23Å; A519-L523 WeakPolarHBondContact O-CG 3.5Å; A519-L523 PolarHBondContact O-N 3.28Å; W520-L523 PolarHBondContact O-N 2.96Å; L523-S527 PolarHBondContact O-OG 3.37Å; L523-R586 HydrophobicContact CD2-CB 3.73Å; L523-R586 HydrophobicContact CD2-CG 3.96Å; L523-R586 PolarHBondContact O-NH2 3.44Å; L523-I589 HydrophobicContact CD2-CB 4.2Å; L523-I589 HydrophobicContact CD2-CG2 3.91Å; L523-I589 HydrophobicContact CG-CG2 3.93Å; L523-L590 HydrophobicContact CD1-CD1 4.4Å
524	V	94.3	Very high	93.9	Very high	14 Å²	14	15 Å²	15	9%	0.085	9%	0.088	C	C	.	.	H	α-helix	trans	-69.9	-50.9	168.5	175.5	0	0	0	0	109.9	I485 Q488 I492 W520 I526 S527 S528	I485-V524 HydrophobicContact CG1-CG1 4.32Å; Q488-V524 HydrophobicContact CB-CG2 4.21Å; I492-V524 HydrophobicContact CD1-CG2 3.56Å; W520-V524 HydrophobicContact CE3-CG2 4.17Å; W520-V524 WeakPolarHBondContact O-CG2 3.48Å; W520-V524 PolarHBondContact O-N 3.15Å; V524-I526 PolarHBondContact O-N 3.15Å; V524-S527 WeakPolarHBondContact O-CB 3.45Å; V524-S527 PolarHBondContact O-N 3.27Å; V524-S527 VanDerWaalsContact O-N 3.11Å; V524-S528 PolarHBondContact O-N 2.87Å; V524-S528 PolarHBondContact O-OG 2.83Å
525	L	95.8	Very high	93.5	Very high	12 Å²	12	14.6 Å²	14.6	6%	0.063	8%	0.084	C	C	.	.	H	α-helix	trans	-60.4	-44.1	-175.8	178.5	59.1	0	0	0	112.9	P521 E522 S527 S528 A529 I564 L568 L640 I643 A644	P521-L525 VanDerWaalsContact O-CB 3.31Å; P521-L525 WeakPolarHBondContact O-CB 3.32Å; P521-L525 PolarHBondContact O-N 3.35Å; E522-L525 PolarHBondContact O-N 3.33Å; L525-S527 VanDerWaalsContact C-N 3.27Å; L525-S527 PolarHBondContact O-N 3.11Å; L525-S528 PolarHBondContact O-N 3.22Å; L525-A529 VanDerWaalsContact O-CB 3.23Å; L525-A529 WeakPolarHBondContact O-CB 3.49Å; L525-A529 PolarHBondContact O-N 3.37Å; L525-I564 HydrophobicContact CD1-CD1 4.11Å; L525-I564 HydrophobicContact CD1-CG1 4.03Å; L525-I564 HydrophobicContact CD1-CG2 4.14Å; L525-L568 HydrophobicContact CD1-CD1 4.16Å; L525-L568 HydrophobicContact CD2-CD1 3.94Å; L525-L568 HydrophobicContact CG-CD1 3.93Å; L525-L640 HydrophobicContact CD2-CD2 4.46Å; L525-L640 HydrophobicContact CD2-CG 4.11Å; L525-L640 HydrophobicContact CG-CG 4.39Å; L525-I643 HydrophobicContact CD1-CG2 4.42Å; L525-I643 HydrophobicContact CD2-CB 3.95Å; L525-I643 HydrophobicContact CD2-CG2 3.7Å; L525-A644 HydrophobicContact CD2-CB 3.95Å
526	I	96.1	Very high	92.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-32.8	177.8	-159.2	173.6	0	0	0	112	E522 V524 Y530 F572 L582 L585 R586 I589 L640	E522-I526 WeakPolarHBondContact O-CB 3.3Å; E522-I526 VanDerWaalsContact O-CG2 3.3Å; E522-I526 WeakPolarHBondContact O-CG2 3.47Å; E522-I526 PolarHBondContact O-N 2.83Å; V524-I526 PolarHBondContact O-N 3.15Å; I526-Y530 VanDerWaalsContact O-CB 3.25Å; I526-Y530 WeakPolarHBondContact O-CB 3.47Å; I526-Y530 PolarHBondContact O-N 3.49Å; I526-F572 HydrophobicContact CG1-CE2 4.07Å; I526-F572 HydrophobicContact CG1-CZ 3.96Å; I526-L582 HydrophobicContact CD1-CD1 3.94Å; I526-L582 HydrophobicContact CG1-CD1 3.77Å; I526-L585 HydrophobicContact CD1-CB 4.01Å; I526-R586 HydrophobicContact CD1-CG 4.36Å; I526-R586 HydrophobicContact CG2-CG 3.68Å; I526-I589 HydrophobicContact CD1-CD1 3.86Å; I526-L640 HydrophobicContact CB-CD1 3.66Å; I526-L640 HydrophobicContact CD1-CD1 4.12Å; I526-L640 HydrophobicContact CG1-CD1 3.72Å
527	S	93.5	Very high	92.2	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-57.9	174.9	-54.2	0	0	0	0	110.3	L523 V524 L525 A529 Y530 H531 R586	L523-S527 PolarHBondContact O-OG 3.37Å; V524-S527 WeakPolarHBondContact O-CB 3.45Å; V524-S527 PolarHBondContact O-N 3.27Å; V524-S527 VanDerWaalsContact O-N 3.11Å; L525-S527 VanDerWaalsContact C-N 3.27Å; L525-S527 PolarHBondContact O-N 3.11Å; S527-A529 VanDerWaalsContact C-N 3.29Å; S527-A529 PolarHBondContact O-N 2.88Å; S527-Y530 PolarHBondContact O-N 3.33Å; S527-Y530 VanDerWaalsContact O-N 3.11Å; S527-H531 PolarHBondContact O-CD2 3.46Å; S527-H531 PolarHBondContact O-N 3.46Å; S527-R586 PolarHBondContact OG-NH1 3.05Å; S527-R586 PolarHBondContact OG-NH2 3.17Å
528	S	93.1	Very high	92.1	Very high	7 Å²	7	23.3 Å²	23.3	5%	0.049	12%	0.119	C	C	.	.	H	α-helix	trans	-60	-40.2	-178.6	-54.7	0	0	0	0	111.6	V524 L525 S532 L540	V524-S528 PolarHBondContact O-N 2.87Å; V524-S528 PolarHBondContact O-OG 2.83Å; L525-S528 PolarHBondContact O-N 3.22Å; S528-S532 VanDerWaalsContact O-CB 3.26Å; S528-S532 WeakPolarHBondContact O-CB 3.28Å; S528-S532 PolarHBondContact O-N 3.22Å; S528-S532 PolarHBondContact O-OG 3.27Å; S528-L540 WeakPolarHBondContact CB-O 3.18Å
529	A	95.2	Very high	92	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-36.1	176.4	0	0	0	0	0	113.1	L525 S527 L568 V569 F572	L525-A529 VanDerWaalsContact O-CB 3.23Å; L525-A529 WeakPolarHBondContact O-CB 3.49Å; L525-A529 PolarHBondContact O-N 3.37Å; S527-A529 VanDerWaalsContact C-N 3.29Å; S527-A529 PolarHBondContact O-N 2.88Å; A529-L568 HydrophobicContact CB-CB 3.99Å; A529-L568 HydrophobicContact CB-CD1 4.32Å; A529-V569 HydrophobicContact CB-CG2 4.06Å; A529-F572 HydrophobicContact CB-CD2 4.17Å; A529-F572 HydrophobicContact CB-CE2 3.78Å
530	Y	94.7	Very high	91.8	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-68.5	-50.6	173.8	172.8	-104.1	0	0	0	112.2	I526 S527 S532 T533 L577 R579 L582 T706	I526-Y530 VanDerWaalsContact O-CB 3.25Å; I526-Y530 WeakPolarHBondContact O-CB 3.47Å; I526-Y530 PolarHBondContact O-N 3.49Å; S527-Y530 PolarHBondContact O-N 3.33Å; S527-Y530 VanDerWaalsContact O-N 3.11Å; Y530-S532 PolarHBondContact O-N 3.1Å; Y530-T533 WeakPolarHBondContact O-CB 3.34Å; Y530-T533 VanDerWaalsContact O-CG2 3.31Å; Y530-T533 WeakPolarHBondContact O-CG2 3.45Å; Y530-T533 PolarHBondContact O-N 2.98Å; Y530-T533 PolarHBondContact O-OG1 3.23Å; Y530-L577 HydrophobicContact CD2-CD2 4.08Å; Y530-L577 HydrophobicContact CD2-CG 4.42Å; Y530-R579 PolarHBondContact OH-NE 3.24Å; Y530-R579 VanDerWaalsContact OH-NE 3.08Å; Y530-L582 HydrophobicContact CD1-CD2 3.45Å; Y530-L582 VanDerWaalsContact CD1-CD2 3.45Å; Y530-L582 HydrophobicContact CD2-CD2 4.05Å; Y530-L582 HydrophobicContact CE1-CD2 3.74Å; Y530-L582 HydrophobicContact CE2-CD2 4.32Å; Y530-L582 HydrophobicContact CG-CD1 4.25Å; Y530-L582 HydrophobicContact CG-CD2 3.6Å; Y530-L582 HydrophobicContact CG-CG 4.47Å; Y530-T706 HydrophobicContact CE1-CG2 4.37Å; Y530-T706 PolarHBondContact OH-OG1 2.72Å
531	H	91.1	Very high	91.6	Very high	12 Å²	12	22 Å²	22	6%	0.056	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-31.9	178.3	-64.7	-68.9	0	0	0	112	D451 S527 T533 V534 L540 Y709	D451-H531 IonicContact OD1-CE1 2.66Å; D451-H531 PolarHBondContact OD1-CE1 3.18Å; S527-H531 PolarHBondContact O-CD2 3.46Å; S527-H531 PolarHBondContact O-N 3.46Å; H531-T533 PolarHBondContact O-N 3.23Å; H531-V534 VanDerWaalsContact O-CG2 3.25Å; H531-V534 WeakPolarHBondContact O-CG2 3.23Å; H531-L540 HydrophobicContact CB-CD2 4.17Å; H531-Y709 PolarHBondContact ND1-OH 2.9Å; H531-Y709 VanDerWaalsContact ND1-OH 3.17Å
532	S	93.7	Very high	90.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-70.9	-10.1	176	-57.1	0	0	0	0	114.7	S528 Y530 V534 I535 L539 L540 V569	S528-S532 VanDerWaalsContact O-CB 3.26Å; S528-S532 WeakPolarHBondContact O-CB 3.28Å; S528-S532 PolarHBondContact O-N 3.22Å; S528-S532 PolarHBondContact O-OG 3.27Å; Y530-S532 PolarHBondContact O-N 3.1Å; S532-V534 PolarHBondContact O-N 2.95Å; S532-V534 VanDerWaalsContact O-N 3.11Å; S532-I535 PolarHBondContact O-N 2.9Å; S532-L539 WeakPolarHBondContact OG-CD1 3.44Å; S532-L540 PolarHBondContact OG-N 3.46Å; S532-V569 WeakPolarHBondContact O-CG1 3.47Å
533	T	92.1	Very high	89.5	Confident	24 Å²	24	23.4 Å²	23.4	15%	0.147	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-59.7	-25.8	-178.6	54	0	0	0	0	113.7	Y530 H531 V569 F572 R573	Y530-T533 WeakPolarHBondContact O-CB 3.34Å; Y530-T533 VanDerWaalsContact O-CG2 3.31Å; Y530-T533 WeakPolarHBondContact O-CG2 3.45Å; Y530-T533 PolarHBondContact O-N 2.98Å; Y530-T533 PolarHBondContact O-OG1 3.23Å; H531-T533 PolarHBondContact O-N 3.23Å; T533-V569 HydrophobicContact CG2-CG1 4.38Å; T533-F572 HydrophobicContact CG2-CB 3.49Å; T533-F572 VanDerWaalsContact CG2-CB 3.49Å; T533-R573 VanDerWaalsContact O-CZ 3.29Å; T533-R573 PolarHBondContact O-NE 2.96Å; T533-R573 PolarHBondContact O-NH2 2.98Å
534	V	86.2	Confident	88.7	Confident	65 Å²	65	23.6 Å²	23.6	39%	0.394	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-84.1	-22.2	177.1	-61.5	0	0	0	0	114	H531 S532 T706 Y709	H531-V534 VanDerWaalsContact O-CG2 3.25Å; H531-V534 WeakPolarHBondContact O-CG2 3.23Å; S532-V534 PolarHBondContact O-N 2.95Å; S532-V534 VanDerWaalsContact O-N 3.11Å; V534-T706 HydrophobicContact CG1-CG2 4.35Å; V534-Y709 HydrophobicContact CG2-CD2 3.37Å; V534-Y709 HydrophobicContact CG2-CE2 4Å; V534-Y709 HydrophobicContact CG2-CG 4.13Å
535	I	84.4	Confident	88.3	Confident	15 Å²	15	26.6 Å²	26.6	8%	0.077	13%	0.126	C	C	.	.			trans	-91	139.1	-177.1	-59.1	-165.7	0	0	0	110.2	Y464 S532 D537 L540 R573	Y464-I535 HydrophobicContact CD1-CD1 4.02Å; Y464-I535 HydrophobicContact CE1-CD1 3.73Å; Y464-I535 HydrophobicContact CE1-CG1 4.48Å; Y464-I535 HydrophobicContact CG-CD1 4.5Å; S532-I535 PolarHBondContact O-N 2.9Å; I535-D537 WeakPolarHBondContact CG2-O 3.45Å; I535-L540 HydrophobicContact CD1-CB 3.99Å; I535-L540 HydrophobicContact CD1-CD1 4.17Å; I535-L540 HydrophobicContact CD1-CD2 4.17Å; I535-L540 HydrophobicContact CD1-CG 4.33Å; I535-R573 PolarHBondContact O-NH2 3.39Å
536	R	78.9	Confident	88	Confident	195 Å²	195	26.9 Å²	26.9	74%	0.736	13%	0.127	S	C	*	.	S	Bend	trans	-74.3	-42.6	-174.7	-69.8	-173.9	176.8	-172.8	-0.9	113.2
537	D	85.1	Confident	87.8	Confident	62 Å²	62	27 Å²	27	33%	0.332	13%	0.127	S	C	.	.	S	Bend	trans	-143.3	141.7	-175.9	-162.6	51.3	0	0	0	111.2	I535 H546 R549	I535-D537 WeakPolarHBondContact CG2-O 3.45Å; D537-H546 PolarHBondContact O-CE1 3.5Å; D537-H546 PolarHBondContact O-NE2 3.2Å; D537-R549 IonicContact OD1-CZ 2.82Å; D537-R549 IonicContact OD1-NE 3.46Å; D537-R549 PolarHBondContact OD1-NE 3.43Å; D537-R549 IonicContact OD1-NH2 3.25Å; D537-R549 PolarHBondContact OD1-NH2 3.04Å; D537-R549 WeakPolarHBondContact OD2-CB 3.28Å; D537-R549 IonicContact OD2-NE 3.15Å
538	G	89	Confident	87.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	83.3	167.8	-171.7	0	0	0	0	0	115	L547 L565	G538-L547 CarbonylContact C-O 3.5Å; G538-L547 WeakPolarHBondContact CA-O 3.42Å; G538-L565 WeakPolarHBondContact O-CD2 3.45Å
539	L	92.5	Very high	87.5	Confident	12 Å²	12	30.3 Å²	30.3	6%	0.063	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.2	-176	-174.9	76.5	0	0	0	110.5	S532 L541 L547 I564	S532-L539 WeakPolarHBondContact OG-CD1 3.44Å; L539-L541 HydrophobicContact CD2-CD2 4Å; L539-L541 PolarHBondContact O-N 2.66Å; L539-L547 HydrophobicContact CB-CB 4.43Å; L539-L547 PolarHBondContact N-O 3.2Å; L539-L547 PolarHBondContact O-N 3.03Å; L539-I564 HydrophobicContact CD1-CG2 3.64Å; L539-I564 HydrophobicContact CD2-CD1 4.33Å
540	L	91	Very high	87.3	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	113.2	169.8	-169.1	60.8	0	0	0	110.3	Y464 S528 H531 S532 I535 H546 Y709	Y464-L540 HydrophobicContact CG-CD1 4.28Å; S528-L540 WeakPolarHBondContact CB-O 3.18Å; H531-L540 HydrophobicContact CB-CD2 4.17Å; S532-L540 PolarHBondContact OG-N 3.46Å; I535-L540 HydrophobicContact CD1-CB 3.99Å; I535-L540 HydrophobicContact CD1-CD1 4.17Å; I535-L540 HydrophobicContact CD1-CD2 4.17Å; I535-L540 HydrophobicContact CD1-CG 4.33Å; L540-H546 HydrophobicContact CD1-CB 4.41Å; L540-Y709 HydrophobicContact CD2-CD1 3.58Å; L540-Y709 HydrophobicContact CD2-CD2 4.49Å; L540-Y709 HydrophobicContact CD2-CE1 3.29Å; L540-Y709 HydrophobicContact CD2-CE2 4.24Å; L540-Y709 HydrophobicContact CD2-CG 4.17Å
541	L	88.8	Confident	87	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	149.7	167.3	-51.3	-178.3	0	0	0	109.7	I467 I480 I481 L539 I543 G544 R545	I467-L541 HydrophobicContact CD1-CD1 3.79Å; I480-L541 HydrophobicContact CG2-CD1 4.34Å; I481-L541 HydrophobicContact CB-CD1 4.47Å; I481-L541 HydrophobicContact CG1-CD1 3.78Å; I481-L541 HydrophobicContact CG1-CD2 4.29Å; L539-L541 HydrophobicContact CD2-CD2 4Å; L539-L541 PolarHBondContact O-N 2.66Å; L541-I543 PolarHBondContact O-N 3.29Å; L541-I543 VanDerWaalsContact O-N 3.12Å; L541-G544 WeakPolarHBondContact O-CA 3.44Å; L541-G544 PolarHBondContact O-N 3.04Å; L541-R545 WeakPolarHBondContact CA-O 3.49Å; L541-R545 HydrophobicContact CB-CB 4.33Å; L541-R545 WeakPolarHBondContact CB-O 3.43Å; L541-R545 HydrophobicContact CD1-CB 4.38Å; L541-R545 WeakPolarHBondContact CG-O 3.31Å; L541-R545 PolarHBondContact N-O 2.75Å; L541-R545 PolarHBondContact O-N 3.44Å
542	S	74.3	Confident	87	Confident	4 Å²	4	36 Å²	36	3%	0.028	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	14	-166.5	41.3	0	0	0	0	115.2	P452 S484 Q488	P452-S542 WeakPolarHBondContact CB-O 3.5Å; S484-S542 PolarHBondContact OG-N 3.11Å; Q488-S542 VanDerWaalsContact CD-OG 3.31Å; Q488-S542 WeakPolarHBondContact CG-OG 3.36Å; Q488-S542 PolarHBondContact NE2-O 3.14Å; Q488-S542 PolarHBondContact NE2-OG 3.45Å
543	I	73.4	Confident	86.8	Confident	53 Å²	53	40.3 Å²	40.3	27%	0.272	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.1	155.5	-47	162.9	0	0	0	111.2	L454 S484 Q487 L541 R545	L454-I543 WeakPolarHBondContact CD2-O 3.49Å; S484-I543 VanDerWaalsContact CA-CD1 3.43Å; Q487-I543 HydrophobicContact CB-CD1 4.24Å; Q487-I543 HydrophobicContact CB-CG1 4.21Å; Q487-I543 VanDerWaalsContact CD-CD1 3.47Å; Q487-I543 HydrophobicContact CG-CD1 4.21Å; L541-I543 PolarHBondContact O-N 3.29Å; L541-I543 VanDerWaalsContact O-N 3.12Å; I543-R545 HydrophobicContact CB-CG 4.41Å
544	G	79.8	Confident	86.6	Confident	4 Å²	4	42.7 Å²	42.7	4%	0.041	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	25.4	-170.6	0	0	0	0	0	113	Y464 E465 L541	Y464-G544 VanDerWaalsContact CA-O 3.23Å; Y464-G544 WeakPolarHBondContact CA-O 3.24Å; Y464-G544 VanDerWaalsContact CB-O 3.26Å; Y464-G544 WeakPolarHBondContact CB-O 3.36Å; E465-G544 PolarHBondContact N-O 3.28Å; L541-G544 WeakPolarHBondContact O-CA 3.44Å; L541-G544 PolarHBondContact O-N 3.04Å
545	R	85.4	Confident	86.5	Confident	77 Å²	77	41.6 Å²	41.6	29%	0.291	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.1	175.3	-64	-71.9	-96.9	-118.7	-4.9	109	E465 I467 I480 L541 I543	E465-R545 CarbonylContact O-C 3.3Å; E465-R545 VanDerWaalsContact O-CA 3.3Å; E465-R545 WeakPolarHBondContact O-CA 3.35Å; E465-R545 VanDerWaalsContact OE2-CD 3.24Å; E465-R545 WeakPolarHBondContact OE2-CD 3.12Å; E465-R545 IonicContact OE2-CZ 3.24Å; E465-R545 IonicContact OE2-NE 2.95Å; E465-R545 IonicContact OE2-NH1 2.79Å; E465-R545 PolarHBondContact OE2-NH1 2.92Å; I467-R545 HydrophobicContact CG1-CB 4.32Å; I480-R545 HydrophobicContact CG2-CB 4.24Å; I480-R545 HydrophobicContact CG2-CG 4.28Å; L541-R545 WeakPolarHBondContact CA-O 3.49Å; L541-R545 HydrophobicContact CB-CB 4.33Å; L541-R545 WeakPolarHBondContact CB-O 3.43Å; L541-R545 HydrophobicContact CD1-CB 4.38Å; L541-R545 WeakPolarHBondContact CG-O 3.31Å; L541-R545 PolarHBondContact N-O 2.75Å; L541-R545 PolarHBondContact O-N 3.44Å; I543-R545 HydrophobicContact CB-CG 4.41Å
546	H	90	Very high	86.5	Confident	18 Å²	18	43.5 Å²	43.5	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.4	-177.3	173.9	-87.9	0	0	0	111.4	Y464 E465 D466 I467 D537 L540 G548	Y464-H546 HydrophobicContact CD2-CB 3.48Å; Y464-H546 VanDerWaalsContact CD2-CB 3.48Å; Y464-H546 HydrophobicContact CE2-CB 3.82Å; Y464-H546 AromaticContact CE2-CG 3.94Å; Y464-H546 HydrophobicContact CG-CB 4.39Å; E465-H546 PolarHBondContact O-N 2.92Å; D466-H546 WeakPolarHBondContact OD1-CB 3.33Å; D466-H546 IonicContact OD1-CG 3.14Å; D466-H546 IonicContact OD1-ND1 2.75Å; D466-H546 PolarHBondContact OD1-ND1 3.15Å; I467-H546 WeakPolarHBondContact CB-O 3.31Å; I467-H546 WeakPolarHBondContact CG1-O 3.44Å; I467-H546 PolarHBondContact N-O 3.21Å; D537-H546 PolarHBondContact O-CE1 3.5Å; D537-H546 PolarHBondContact O-NE2 3.2Å; L540-H546 HydrophobicContact CD1-CB 4.41Å; H546-G548 WeakPolarHBondContact CE1-CA 3.38Å; H546-G548 PolarHBondContact CE1-N 2.89Å; H546-G548 PolarHBondContact ND1-N 3.28Å
547	L	91	Very high	87	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	91.7	172.2	-179.1	68.1	0	0	0	109	I467 P477 I481 G538 L539 V551 A552 V561	I467-L547 HydrophobicContact CD1-CB 4.14Å; I467-L547 HydrophobicContact CD1-CD1 4.11Å; P477-L547 HydrophobicContact CB-CD1 4.11Å; I481-L547 HydrophobicContact CD1-CD2 3.9Å; G538-L547 CarbonylContact C-O 3.5Å; G538-L547 WeakPolarHBondContact CA-O 3.42Å; L539-L547 HydrophobicContact CB-CB 4.43Å; L539-L547 PolarHBondContact N-O 3.2Å; L539-L547 PolarHBondContact O-N 3.03Å; L547-V551 HydrophobicContact CD1-CG1 4.36Å; L547-A552 HydrophobicContact CD1-CB 4.38Å; L547-A552 HydrophobicContact CD2-CB 4.21Å; L547-A552 HydrophobicContact CG-CB 4.12Å; L547-V561 HydrophobicContact CD2-CG2 3.83Å
548	G	90.3	Very high	87.3	Confident	14 Å²	14	31.9 Å²	31.9	14%	0.144	17%	0.174	C	C	.	.			trans	-57	145.4	174.5	0	0	0	0	0	112.5	H546 E550 V551 A552	H546-G548 WeakPolarHBondContact CE1-CA 3.38Å; H546-G548 PolarHBondContact CE1-N 2.89Å; H546-G548 PolarHBondContact ND1-N 3.28Å; G548-E550 VanDerWaalsContact C-N 3.29Å; G548-E550 PolarHBondContact O-N 3.48Å; G548-V551 PolarHBondContact O-N 3.43Å; G548-A552 PolarHBondContact O-N 2.87Å
549	R	91.4	Very high	87.5	Confident	67 Å²	67	36 Å²	36	25%	0.253	20%	0.2	S	C	.	.	H	α-helix	trans	-60.5	-38.9	-174.8	-167.4	-164.9	-59.4	-114.1	4.7	112.2	D537 A552 K553 D562	D537-R549 IonicContact OD1-CZ 2.82Å; D537-R549 IonicContact OD1-NE 3.46Å; D537-R549 PolarHBondContact OD1-NE 3.43Å; D537-R549 IonicContact OD1-NH2 3.25Å; D537-R549 PolarHBondContact OD1-NH2 3.04Å; D537-R549 WeakPolarHBondContact OD2-CB 3.28Å; D537-R549 IonicContact OD2-NE 3.15Å; R549-A552 WeakPolarHBondContact O-CB 3.32Å; R549-A552 PolarHBondContact O-N 3.43Å; R549-K553 HydrophobicContact CG-CD 4.32Å; R549-K553 WeakPolarHBondContact O-CG 3.39Å; R549-K553 PolarHBondContact O-N 2.93Å; R549-D562 VanDerWaalsContact CD-OD1 3.25Å; R549-D562 WeakPolarHBondContact CD-OD1 3.47Å; R549-D562 IonicContact CZ-OD1 3.4Å; R549-D562 IonicContact NE-OD1 2.65Å; R549-D562 IonicContact NH1-OD1 2.71Å; R549-D562 PolarHBondContact NH1-OD1 2.91Å
550	E	89.4	Confident	87.5	Confident	109 Å²	109	36.3 Å²	36.3	51%	0.509	20%	0.202	S	C	.	.	H	α-helix	trans	-70.9	-35.3	179.5	-52.2	-42.4	111.8	0	0	112.5	G548 A552 K553 S554	G548-E550 VanDerWaalsContact C-N 3.29Å; G548-E550 PolarHBondContact O-N 3.48Å; E550-A552 VanDerWaalsContact C-N 3.34Å; E550-K553 PolarHBondContact O-N 2.69Å; E550-K553 IonicContact OE1-NZ 2.66Å; E550-K553 PolarHBondContact OE1-NZ 3.18Å; E550-K553 WeakPolarHBondContact OE2-CD 3.39Å; E550-K553 IonicContact OE2-NZ 3.66Å; E550-K553 PolarHBondContact OE2-NZ 3.2Å; E550-S554 PolarHBondContact O-N 3.4Å; E550-S554 PolarHBondContact O-OG 3.12Å
551	V	89.9	Confident	87.6	Confident	26 Å²	26	36.4 Å²	36.4	16%	0.158	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-38.8	171.5	-176.7	0	0	0	0	110.9	I467 P477 L547 G548 S554 H555	I467-V551 HydrophobicContact CG2-CG1 4.32Å; P477-V551 HydrophobicContact CG-CG1 3.86Å; L547-V551 HydrophobicContact CD1-CG1 4.36Å; G548-V551 PolarHBondContact O-N 3.43Å; V551-S554 PolarHBondContact O-OG 2.99Å; V551-S554 VanDerWaalsContact O-OG 3.05Å; V551-H555 WeakPolarHBondContact O-CB 3.38Å; V551-H555 PolarHBondContact O-N 3Å; V551-H555 PolarHBondContact O-ND1 2.76Å
552	A	89.9	Confident	87.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-41.1	171.9	0	0	0	0	0	111.9	L547 G548 R549 E550 H555 G556 L557 G558 V561	L547-A552 HydrophobicContact CD1-CB 4.38Å; L547-A552 HydrophobicContact CD2-CB 4.21Å; L547-A552 HydrophobicContact CG-CB 4.12Å; G548-A552 PolarHBondContact O-N 2.87Å; R549-A552 WeakPolarHBondContact O-CB 3.32Å; R549-A552 PolarHBondContact O-N 3.43Å; E550-A552 VanDerWaalsContact C-N 3.34Å; A552-H555 CarbonylContact O-C 3.59Å; A552-H555 PolarHBondContact O-N 2.89Å; A552-G556 PolarHBondContact O-N 3.16Å; A552-L557 HydrophobicContact CB-CB 4.15Å; A552-L557 CarbonylContact O-C 3.59Å; A552-L557 WeakPolarHBondContact O-CA 3.36Å; A552-L557 WeakPolarHBondContact O-CB 3.21Å; A552-L557 PolarHBondContact O-N 3.33Å; A552-G558 PolarHBondContact O-N 3.28Å; A552-V561 HydrophobicContact CB-CB 4.01Å; A552-V561 HydrophobicContact CB-CG1 4.3Å; A552-V561 HydrophobicContact CB-CG2 3.67Å
553	K	90.6	Very high	88.9	Confident	90 Å²	90	42 Å²	42	39%	0.391	23%	0.226	S	C	.	.	H	α-helix	trans	-65.8	-46.5	177.7	-75.4	159.9	168.2	174.9	0	112.7	R549 E550 H555 G556	R549-K553 HydrophobicContact CG-CD 4.32Å; R549-K553 WeakPolarHBondContact O-CG 3.39Å; R549-K553 PolarHBondContact O-N 2.93Å; E550-K553 PolarHBondContact O-N 2.69Å; E550-K553 IonicContact OE1-NZ 2.66Å; E550-K553 PolarHBondContact OE1-NZ 3.18Å; E550-K553 WeakPolarHBondContact OE2-CD 3.39Å; E550-K553 IonicContact OE2-NZ 3.66Å; E550-K553 PolarHBondContact OE2-NZ 3.2Å; K553-H555 PolarHBondContact O-N 3.5Å; K553-G556 PolarHBondContact O-N 3.23Å
554	S	87.5	Confident	90	Very high	74 Å²	74	39.9 Å²	39.9	52%	0.517	22%	0.215	S	C	.	.	H	α-helix	trans	-58.6	-36.6	178.4	61.6	0	0	0	0	111.7	E550 V551 G556	E550-S554 PolarHBondContact O-N 3.4Å; E550-S554 PolarHBondContact O-OG 3.12Å; V551-S554 PolarHBondContact O-OG 2.99Å; V551-S554 VanDerWaalsContact O-OG 3.05Å; S554-G556 VanDerWaalsContact C-N 3.34Å; S554-G556 PolarHBondContact O-N 3.29Å
555	H	84.1	Confident	90.8	Very high	41 Å²	41	40.5 Å²	40.5	19%	0.19	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	13.3	177.8	-67.5	83.4	0	0	0	114.9	G469 H476 P477 V551 A552 K553 L557	G469-H555 PolarHBondContact O-CE1 3.39Å; H476-H555 AromaticContact CD2-CD2 3.9Å; H476-H555 AromaticContact CE1-CD2 3.71Å; H476-H555 AromaticContact NE2-CD2 3.46Å; H476-H555 PolarHBondContact NE2-CD2 3.09Å; P477-H555 VanDerWaalsContact CD-NE2 3.34Å; P477-H555 WeakPolarHBondContact CD-NE2 3.25Å; V551-H555 WeakPolarHBondContact O-CB 3.38Å; V551-H555 PolarHBondContact O-N 3Å; V551-H555 PolarHBondContact O-ND1 2.76Å; A552-H555 CarbonylContact O-C 3.59Å; A552-H555 PolarHBondContact O-N 2.89Å; K553-H555 PolarHBondContact O-N 3.5Å; H555-L557 PolarHBondContact O-N 2.7Å
556	G	85.1	Confident	91.3	Very high	55 Å²	55	42.3 Å²	42.3	57%	0.567	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	6.8	176.1	0	0	0	0	0	115.8	A552 K553 S554	A552-G556 PolarHBondContact O-N 3.16Å; K553-G556 PolarHBondContact O-N 3.23Å; S554-G556 VanDerWaalsContact C-N 3.34Å; S554-G556 PolarHBondContact O-N 3.29Å
557	L	88.9	Confident	91.6	Very high	13 Å²	13	43.9 Å²	43.9	7%	0.068	24%	0.237	C	C	.	.			trans	-89.5	-7.8	176.5	-56.4	179.8	0	0	0	113.3	L478 I481 A552 H555 L560 V561	L478-L557 HydrophobicContact CD2-CD1 3.95Å; L478-L557 HydrophobicContact CD2-CD2 3.99Å; L478-L557 HydrophobicContact CG-CD1 4.27Å; I481-L557 HydrophobicContact CD1-CD1 3.7Å; A552-L557 HydrophobicContact CB-CB 4.15Å; A552-L557 CarbonylContact O-C 3.59Å; A552-L557 WeakPolarHBondContact O-CA 3.36Å; A552-L557 WeakPolarHBondContact O-CB 3.21Å; A552-L557 PolarHBondContact O-N 3.33Å; H555-L557 PolarHBondContact O-N 2.7Å; L557-L560 WeakPolarHBondContact O-CB 3.35Å; L557-L560 PolarHBondContact O-N 3.12Å; L557-V561 HydrophobicContact CB-CG2 4.44Å; L557-V561 PolarHBondContact O-N 3.46Å
558	G	91.3	Very high	91.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-42.8	-58.8	-178	0	0	0	0	0	114	A552 L560 V561 D562	A552-G558 PolarHBondContact O-N 3.28Å; G558-L560 VanDerWaalsContact C-N 3.25Å; G558-L560 PolarHBondContact O-N 3.12Å; G558-V561 PolarHBondContact O-N 3.35Å; G558-V561 VanDerWaalsContact O-N 3.14Å; G558-D562 WeakPolarHBondContact O-CB 3.26Å; G558-D562 VanDerWaalsContact O-CG 3.26Å; G558-D562 PolarHBondContact O-N 3.1Å
559	P	92.4	Very high	92.1	Very high	85 Å²	85	43.3 Å²	43.3	55%	0.552	23%	0.23	S	C	*	.	H	α-helix	trans	-58.7	-31.8	-179.9	-25.9	35.2	0	0	0	114.5	R563	P559-R563 VanDerWaalsContact O-CG 3.31Å; P559-R563 WeakPolarHBondContact O-CG 3.5Å; P559-R563 PolarHBondContact O-N 3.11Å
560	L	93.1	Very high	92.4	Very high	20 Å²	20	41.3 Å²	41.3	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-74.7	-44.1	177.2	-176.8	65.3	0	0	0	111.1	L557 G558 R563 I564 I643 K646	L557-L560 WeakPolarHBondContact O-CB 3.35Å; L557-L560 PolarHBondContact O-N 3.12Å; G558-L560 VanDerWaalsContact C-N 3.25Å; G558-L560 PolarHBondContact O-N 3.12Å; L560-R563 PolarHBondContact O-N 2.92Å; L560-I564 HydrophobicContact CG-CD1 4.34Å; L560-I564 VanDerWaalsContact O-CG1 3.3Å; L560-I564 WeakPolarHBondContact O-CG1 3.41Å; L560-I564 PolarHBondContact O-N 3.18Å; L560-I643 HydrophobicContact CD1-CG2 4.31Å; L560-K646 HydrophobicContact CD1-CB 4.16Å; L560-K646 HydrophobicContact CD1-CG 3.98Å
561	V	93.8	Very high	92.7	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-41	177.5	173.4	0	0	0	0	111.1	L547 A552 L557 G558 R563 I564 L565	L547-V561 HydrophobicContact CD2-CG2 3.83Å; A552-V561 HydrophobicContact CB-CB 4.01Å; A552-V561 HydrophobicContact CB-CG1 4.3Å; A552-V561 HydrophobicContact CB-CG2 3.67Å; L557-V561 HydrophobicContact CB-CG2 4.44Å; L557-V561 PolarHBondContact O-N 3.46Å; G558-V561 PolarHBondContact O-N 3.35Å; G558-V561 VanDerWaalsContact O-N 3.14Å; V561-R563 VanDerWaalsContact C-N 3.32Å; V561-R563 PolarHBondContact O-N 3.2Å; V561-I564 PolarHBondContact O-N 3.21Å; V561-I564 VanDerWaalsContact O-N 3.17Å; V561-L565 HydrophobicContact CG1-CD1 3.82Å; V561-L565 HydrophobicContact CG1-CG 4.21Å; V561-L565 WeakPolarHBondContact O-CB 3.15Å; V561-L565 VanDerWaalsContact O-CG 3.28Å; V561-L565 WeakPolarHBondContact O-CG 3.36Å; V561-L565 PolarHBondContact O-N 3.46Å
562	D	94.8	Very high	93	Very high	50 Å²	50	39.6 Å²	39.6	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-59.6	-41.3	175.1	-72.3	-29.8	0	0	0	111.7	R549 G558 L565 H566	R549-D562 VanDerWaalsContact CD-OD1 3.25Å; R549-D562 WeakPolarHBondContact CD-OD1 3.47Å; R549-D562 IonicContact CZ-OD1 3.4Å; R549-D562 IonicContact NE-OD1 2.65Å; R549-D562 IonicContact NH1-OD1 2.71Å; R549-D562 PolarHBondContact NH1-OD1 2.91Å; G558-D562 WeakPolarHBondContact O-CB 3.26Å; G558-D562 VanDerWaalsContact O-CG 3.26Å; G558-D562 PolarHBondContact O-N 3.1Å; D562-L565 PolarHBondContact O-N 3.17Å; D562-H566 WeakPolarHBondContact O-CB 3.32Å; D562-H566 PolarHBondContact O-N 3.39Å
563	R	95.7	Very high	93.2	Very high	80 Å²	80	44.9 Å²	44.9	30%	0.302	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-46.1	172	-76.2	-172.7	70.1	-154.3	-6.4	112.6	P559 L560 V561 L565 H566 E567 S642 I643	P559-R563 VanDerWaalsContact O-CG 3.31Å; P559-R563 WeakPolarHBondContact O-CG 3.5Å; P559-R563 PolarHBondContact O-N 3.11Å; L560-R563 PolarHBondContact O-N 2.92Å; V561-R563 VanDerWaalsContact C-N 3.32Å; V561-R563 PolarHBondContact O-N 3.2Å; R563-L565 VanDerWaalsContact C-N 3.32Å; R563-L565 PolarHBondContact O-N 2.98Å; R563-H566 PolarHBondContact O-N 3.43Å; R563-E567 IonicContact CZ-OE1 2.79Å; R563-E567 VanDerWaalsContact CZ-OE1 3.24Å; R563-E567 IonicContact NE-OE1 3.27Å; R563-E567 PolarHBondContact NE-OE1 2.78Å; R563-E567 IonicContact NH2-OE1 3.82Å; R563-E567 PolarHBondContact NH2-OE1 3.32Å; R563-E567 IonicContact NH2-OE2 3.09Å; R563-E567 PolarHBondContact NH2-OE2 2.97Å; R563-E567 VanDerWaalsContact O-CB 3.31Å; R563-E567 WeakPolarHBondContact O-CB 3.48Å; R563-E567 PolarHBondContact O-N 3.02Å; R563-S642 PolarHBondContact NH2-OG 3.42Å; R563-I643 HydrophobicContact CB-CD1 4.41Å
564	I	96.3	Very high	93.4	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	24%	0.242	C	C	.	.	I	π-helix	trans	-58.4	-46.7	176.5	-64.4	161.6	0	0	0	110.3	L525 L539 L560 V561 L568 V569 I643	L525-I564 HydrophobicContact CD1-CD1 4.11Å; L525-I564 HydrophobicContact CD1-CG1 4.03Å; L525-I564 HydrophobicContact CD1-CG2 4.14Å; L539-I564 HydrophobicContact CD1-CG2 3.64Å; L539-I564 HydrophobicContact CD2-CD1 4.33Å; L560-I564 HydrophobicContact CG-CD1 4.34Å; L560-I564 VanDerWaalsContact O-CG1 3.3Å; L560-I564 WeakPolarHBondContact O-CG1 3.41Å; L560-I564 PolarHBondContact O-N 3.18Å; V561-I564 PolarHBondContact O-N 3.21Å; V561-I564 VanDerWaalsContact O-N 3.17Å; I564-L568 WeakPolarHBondContact O-CB 3.21Å; I564-L568 PolarHBondContact O-N 2.99Å; I564-L568 VanDerWaalsContact O-N 3.16Å; I564-V569 HydrophobicContact CG2-CG2 4.18Å; I564-V569 PolarHBondContact O-N 3.41Å; I564-I643 HydrophobicContact CD1-CG2 4.31Å; I564-I643 HydrophobicContact CG1-CG2 3.54Å
565	L	95.7	Very high	93.7	Very high	17 Å²	17	43 Å²	43	9%	0.089	22%	0.223	C	C	.	.	I	π-helix	trans	-64.2	-43.1	-179.2	-69.4	173.2	0	0	0	112.2	G538 V561 D562 R563 V569 A570	G538-L565 WeakPolarHBondContact O-CD2 3.45Å; V561-L565 HydrophobicContact CG1-CD1 3.82Å; V561-L565 HydrophobicContact CG1-CG 4.21Å; V561-L565 WeakPolarHBondContact O-CB 3.15Å; V561-L565 VanDerWaalsContact O-CG 3.28Å; V561-L565 WeakPolarHBondContact O-CG 3.36Å; V561-L565 PolarHBondContact O-N 3.46Å; D562-L565 PolarHBondContact O-N 3.17Å; R563-L565 VanDerWaalsContact C-N 3.32Å; R563-L565 PolarHBondContact O-N 2.98Å; L565-V569 HydrophobicContact CD2-CB 4.31Å; L565-V569 HydrophobicContact CD2-CG2 4.11Å; L565-A570 WeakPolarHBondContact O-CB 3.36Å; L565-A570 PolarHBondContact O-N 2.61Å
566	H	95.1	Very high	94.3	Very high	116 Å²	116	45.4 Å²	45.4	54%	0.537	24%	0.244	S	C	.	.	I	π-helix	trans	-83.6	-41.9	-175.7	-169.4	87.8	0	0	0	114.3	D562 R563	D562-H566 WeakPolarHBondContact O-CB 3.32Å; D562-H566 PolarHBondContact O-N 3.39Å; R563-H566 PolarHBondContact O-N 3.43Å
567	E	96.5	Very high	94.8	Very high	51 Å²	51	43.4 Å²	43.4	24%	0.238	22%	0.22	C	C	.	.	I	π-helix	trans	-83.6	-30.8	-175.5	-64.2	-177.9	-119.3	0	0	113	R563 R571 R636 P639 I643	R563-E567 IonicContact CZ-OE1 2.79Å; R563-E567 VanDerWaalsContact CZ-OE1 3.24Å; R563-E567 IonicContact NE-OE1 3.27Å; R563-E567 PolarHBondContact NE-OE1 2.78Å; R563-E567 IonicContact NH2-OE1 3.82Å; R563-E567 PolarHBondContact NH2-OE1 3.32Å; R563-E567 IonicContact NH2-OE2 3.09Å; R563-E567 PolarHBondContact NH2-OE2 2.97Å; R563-E567 VanDerWaalsContact O-CB 3.31Å; R563-E567 WeakPolarHBondContact O-CB 3.48Å; R563-E567 PolarHBondContact O-N 3.02Å; E567-R571 VanDerWaalsContact O-CG 3.23Å; E567-R571 WeakPolarHBondContact O-CG 3.14Å; E567-R636 PolarHBondContact O-NH1 3.28Å; E567-P639 HydrophobicContact CB-CB 4.27Å; E567-I643 HydrophobicContact CB-CD1 3.86Å; E567-I643 HydrophobicContact CG-CD1 4.38Å
568	L	97	Very high	95	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-112.2	-65	-176.1	-52.2	-179.9	0	0	0	112.5	L525 A529 I564 A570 R571 F572 P639 L640 I643	L525-L568 HydrophobicContact CD1-CD1 4.16Å; L525-L568 HydrophobicContact CD2-CD1 3.94Å; L525-L568 HydrophobicContact CG-CD1 3.93Å; A529-L568 HydrophobicContact CB-CB 3.99Å; A529-L568 HydrophobicContact CB-CD1 4.32Å; I564-L568 WeakPolarHBondContact O-CB 3.21Å; I564-L568 PolarHBondContact O-N 2.99Å; I564-L568 VanDerWaalsContact O-N 3.16Å; L568-A570 PolarHBondContact O-N 3.47Å; L568-R571 CarbonylContact O-C 3.46Å; L568-R571 PolarHBondContact O-N 3.15Å; L568-F572 WeakPolarHBondContact O-CG 3.47Å; L568-F572 PolarHBondContact O-N 2.8Å; L568-P639 HydrophobicContact CD2-CB 4.19Å; L568-L640 HydrophobicContact CD1-CB 4.35Å; L568-L640 HydrophobicContact CD1-CD1 4.13Å; L568-L640 HydrophobicContact CD1-CG 4.07Å; L568-L640 HydrophobicContact CD2-CB 3.86Å; L568-L640 HydrophobicContact CD2-CD1 4.27Å; L568-L640 HydrophobicContact CD2-CG 4.35Å; L568-I643 HydrophobicContact CD1-CD1 4.05Å; L568-I643 HydrophobicContact CD2-CD1 4.49Å; L568-I643 HydrophobicContact CG-CD1 3.97Å
569	V	96.7	Very high	95.1	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	24%	0.236	C	C	.	.	I	π-helix	trans	-63.1	-48.4	-168.8	-174.4	0	0	0	0	111.9	A529 S532 T533 I564 L565 R571 F572 R573	A529-V569 HydrophobicContact CB-CG2 4.06Å; S532-V569 WeakPolarHBondContact O-CG1 3.47Å; T533-V569 HydrophobicContact CG2-CG1 4.38Å; I564-V569 HydrophobicContact CG2-CG2 4.18Å; I564-V569 PolarHBondContact O-N 3.41Å; L565-V569 HydrophobicContact CD2-CB 4.31Å; L565-V569 HydrophobicContact CD2-CG2 4.11Å; V569-R571 VanDerWaalsContact C-N 3.25Å; V569-R571 PolarHBondContact O-N 3.26Å; V569-F572 PolarHBondContact O-N 3.32Å; V569-R573 PolarHBondContact O-N 2.77Å
570	A	95.7	Very high	95.2	Very high	26 Å²	26	43.8 Å²	43.8	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-39.8	173.9	0	0	0	0	0	111.5	L565 L568 R573 D574	L565-A570 WeakPolarHBondContact O-CB 3.36Å; L565-A570 PolarHBondContact O-N 2.61Å; L568-A570 PolarHBondContact O-N 3.47Å; A570-R573 WeakPolarHBondContact O-CB 3.31Å; A570-R573 PolarHBondContact O-N 3.36Å; A570-D574 PolarHBondContact O-N 3.2Å
571	R	96.1	Very high	95.4	Very high	96 Å²	96	42.8 Å²	42.8	36%	0.362	21%	0.208	S	C	.	.	H	α-helix	trans	-77	-27.9	-177.7	-53.9	-48.5	-177.6	177.1	0.9	113.4	E567 L568 V569 D574 L575	E567-R571 VanDerWaalsContact O-CG 3.23Å; E567-R571 WeakPolarHBondContact O-CG 3.14Å; L568-R571 CarbonylContact O-C 3.46Å; L568-R571 PolarHBondContact O-N 3.15Å; V569-R571 VanDerWaalsContact C-N 3.25Å; V569-R571 PolarHBondContact O-N 3.26Å; R571-D574 WeakPolarHBondContact CD-OD2 3.33Å; R571-D574 IonicContact CZ-OD2 2.7Å; R571-D574 IonicContact NE-OD2 3.45Å; R571-D574 IonicContact NH1-OD2 4Å; R571-D574 PolarHBondContact NH1-OD2 2.89Å; R571-L575 WeakPolarHBondContact O-CB 3.5Å; R571-L575 WeakPolarHBondContact O-CD1 3.48Å; R571-L575 WeakPolarHBondContact O-CG 3.4Å; R571-L575 PolarHBondContact O-N 3.17Å; R571-L575 VanDerWaalsContact O-N 3.14Å
572	F	96.3	Very high	95.5	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.013	21%	0.207	C	C	.	.	H	α-helix	trans	-72.5	-32.2	169.7	-66.8	-9.4	0	0	0	111.7	I526 A529 T533 L568 V569 S576 L577 R636 L640	I526-F572 HydrophobicContact CG1-CE2 4.07Å; I526-F572 HydrophobicContact CG1-CZ 3.96Å; A529-F572 HydrophobicContact CB-CD2 4.17Å; A529-F572 HydrophobicContact CB-CE2 3.78Å; T533-F572 HydrophobicContact CG2-CB 3.49Å; T533-F572 VanDerWaalsContact CG2-CB 3.49Å; L568-F572 WeakPolarHBondContact O-CG 3.47Å; L568-F572 PolarHBondContact O-N 2.8Å; V569-F572 PolarHBondContact O-N 3.32Å; F572-S576 PolarHBondContact O-N 3.01Å; F572-L577 HydrophobicContact CB-CB 4.2Å; F572-L577 HydrophobicContact CB-CD2 4.23Å; F572-L577 HydrophobicContact CD1-CD2 3.84Å; F572-L577 HydrophobicContact CD2-CD2 3.95Å; F572-L577 HydrophobicContact CE1-CD2 4.12Å; F572-L577 HydrophobicContact CE2-CD2 4.22Å; F572-L577 HydrophobicContact CG-CD2 3.75Å; F572-L577 HydrophobicContact CZ-CD2 4.31Å; F572-L577 PolarHBondContact O-N 3.04Å; F572-R636 HydrophobicContact CD1-CG 4.34Å; F572-R636 HydrophobicContact CE1-CB 3.94Å; F572-R636 HydrophobicContact CE1-CG 3.91Å; F572-L640 HydrophobicContact CZ-CD1 4.28Å
573	R	95.4	Very high	95.6	Very high	111 Å²	111	40.3 Å²	40.3	42%	0.419	20%	0.195	S	C	.	.	H	α-helix	trans	-68.9	-50.1	170.3	-173.7	-177	-66.8	151.4	1.6	111.6	T533 I535 V569 A570 L575 S576	T533-R573 VanDerWaalsContact O-CZ 3.29Å; T533-R573 PolarHBondContact O-NE 2.96Å; T533-R573 PolarHBondContact O-NH2 2.98Å; I535-R573 PolarHBondContact O-NH2 3.39Å; V569-R573 PolarHBondContact O-N 2.77Å; A570-R573 WeakPolarHBondContact O-CB 3.31Å; A570-R573 PolarHBondContact O-N 3.36Å; R573-L575 PolarHBondContact O-N 2.78Å; R573-S576 PolarHBondContact O-N 2.91Å
574	D	94.5	Very high	95.7	Very high	102 Å²	102	36.5 Å²	36.5	55%	0.545	18%	0.18	S	C	.	.	H	α-helix	trans	-54.1	-39.8	176.4	-67.4	-16.7	0	0	0	112.4	A570 R571	A570-D574 PolarHBondContact O-N 3.2Å; R571-D574 WeakPolarHBondContact CD-OD2 3.33Å; R571-D574 IonicContact CZ-OD2 2.7Å; R571-D574 IonicContact NE-OD2 3.45Å; R571-D574 IonicContact NH1-OD2 4Å; R571-D574 PolarHBondContact NH1-OD2 2.89Å
575	L	94.2	Very high	95.8	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.12	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.2	-179.4	-67.6	172.8	0	0	0	113.6	R571 R573 R629 K632 L633 R636	R571-L575 WeakPolarHBondContact O-CB 3.5Å; R571-L575 WeakPolarHBondContact O-CD1 3.48Å; R571-L575 WeakPolarHBondContact O-CG 3.4Å; R571-L575 PolarHBondContact O-N 3.17Å; R571-L575 VanDerWaalsContact O-N 3.14Å; R573-L575 PolarHBondContact O-N 2.78Å; L575-R629 VanDerWaalsContact O-CZ 3.29Å; L575-R629 PolarHBondContact O-NH1 3.18Å; L575-R629 PolarHBondContact O-NH2 3.27Å; L575-K632 HydrophobicContact CD1-CB 4.41Å; L575-K632 HydrophobicContact CD2-CB 3.89Å; L575-K632 HydrophobicContact CD2-CD 3.91Å; L575-K632 HydrophobicContact CD2-CG 4.32Å; L575-L633 HydrophobicContact CD1-CD2 4.24Å; L575-R636 HydrophobicContact CD1-CG 4.19Å
576	S	94.9	Very high	95.9	Very high	90 Å²	90	35.5 Å²	35.5	63%	0.629	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.1	61.2	-166.7	-66.8	0	0	0	0	111.4	F572 R573 Q578 R629	F572-S576 PolarHBondContact O-N 3.01Å; R573-S576 PolarHBondContact O-N 2.91Å; S576-Q578 PolarHBondContact O-N 3.05Å; S576-R629 PolarHBondContact O-NH2 3.36Å
577	L	95.4	Very high	96	Very high	13 Å²	13	30 Å²	30	7%	0.068	15%	0.15	C	C	.	.			trans	-57.7	119.4	-173.7	-178.6	63.6	0	0	0	111.4	Y530 F572 E581 L582 L585 L633	Y530-L577 HydrophobicContact CD2-CD2 4.08Å; Y530-L577 HydrophobicContact CD2-CG 4.42Å; F572-L577 HydrophobicContact CB-CB 4.2Å; F572-L577 HydrophobicContact CB-CD2 4.23Å; F572-L577 HydrophobicContact CD1-CD2 3.84Å; F572-L577 HydrophobicContact CD2-CD2 3.95Å; F572-L577 HydrophobicContact CE1-CD2 4.12Å; F572-L577 HydrophobicContact CE2-CD2 4.22Å; F572-L577 HydrophobicContact CG-CD2 3.75Å; F572-L577 HydrophobicContact CZ-CD2 4.31Å; F572-L577 PolarHBondContact O-N 3.04Å; L577-E581 HydrophobicContact CD1-CB 3.7Å; L577-L582 HydrophobicContact CD2-CD1 4.38Å; L577-L585 HydrophobicContact CD1-CD1 4.12Å; L577-L633 HydrophobicContact CD1-CD2 3.44Å; L577-L633 VanDerWaalsContact CD1-CD2 3.44Å
578	Q	94.1	Very high	96	Very high	63 Å²	63	27.6 Å²	27.6	29%	0.294	14%	0.139	S	C	.	.			trans	-85.4	151.7	-177.1	-56.6	-171.1	-34.6	0	0	111.2	S576 T580 E581 L582 Y618	S576-Q578 PolarHBondContact O-N 3.05Å; Q578-T580 VanDerWaalsContact C-N 3.28Å; Q578-T580 PolarHBondContact O-N 2.93Å; Q578-E581 HydrophobicContact CB-CG 4.06Å; Q578-E581 WeakPolarHBondContact CB-OE2 3.45Å; Q578-E581 PolarHBondContact N-OE2 2.91Å; Q578-E581 WeakPolarHBondContact O-CA 3.32Å; Q578-E581 WeakPolarHBondContact O-CB 3.28Å; Q578-E581 PolarHBondContact O-N 3.36Å; Q578-L582 PolarHBondContact O-N 3.48Å; Q578-Y618 PolarHBondContact OE1-OH 3.03Å; Q578-Y618 VanDerWaalsContact OE1-OH 3.05Å
579	R	93.4	Very high	96.1	Very high	31 Å²	31	27.9 Å²	27.9	12%	0.117	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-35.2	-175.5	-168	69.7	81.6	99.9	8.6	113.4	L444 E447 D451 Y530 E581 L582 A583	L444-R579 HydrophobicContact CD1-CB 4.17Å; L444-R579 HydrophobicContact CD1-CG 3.83Å; E447-R579 HydrophobicContact CG-CG 4.16Å; D451-R579 IonicContact OD1-CZ 3.32Å; D451-R579 IonicContact OD1-NH1 2.81Å; D451-R579 PolarHBondContact OD1-NH1 3.24Å; D451-R579 IonicContact OD1-NH2 2.87Å; D451-R579 PolarHBondContact OD1-NH2 3.13Å; D451-R579 IonicContact OD2-CZ 2.71Å; D451-R579 VanDerWaalsContact OD2-CZ 3.32Å; D451-R579 IonicContact OD2-NH1 3.38Å; D451-R579 PolarHBondContact OD2-NH1 2.95Å; D451-R579 IonicContact OD2-NH2 3.5Å; D451-R579 PolarHBondContact OD2-NH2 3.4Å; Y530-R579 PolarHBondContact OH-NE 3.24Å; Y530-R579 VanDerWaalsContact OH-NE 3.08Å; R579-E581 VanDerWaalsContact C-N 3.31Å; R579-E581 PolarHBondContact O-N 3.45Å; R579-L582 WeakPolarHBondContact O-CB 3.49Å; R579-L582 PolarHBondContact O-N 3.34Å; R579-A583 PolarHBondContact O-N 2.96Å
580	T	95.2	Very high	96.1	Very high	13 Å²	13	27.7 Å²	27.7	8%	0.08	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-33.7	174.9	-44	0	0	0	0	112.3	Q578 A583 L584 Y618	Q578-T580 VanDerWaalsContact C-N 3.28Å; Q578-T580 PolarHBondContact O-N 2.93Å; T580-A583 PolarHBondContact O-N 3.2Å; T580-L584 HydrophobicContact CG2-CD1 4.43Å; T580-L584 WeakPolarHBondContact O-CD1 3.45Å; T580-L584 WeakPolarHBondContact O-CG 3.49Å; T580-L584 PolarHBondContact O-N 3.03Å; T580-Y618 HydrophobicContact CG2-CD2 4.03Å; T580-Y618 HydrophobicContact CG2-CE2 3.61Å; T580-Y618 PolarHBondContact OG1-OH 2.91Å
581	E	96.5	Very high	96.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-72.6	-39	177.2	-58.4	172.8	145.5	0	0	110.9	L577 Q578 R579 L584 L585 Y618 R629 L633	L577-E581 HydrophobicContact CD1-CB 3.7Å; Q578-E581 HydrophobicContact CB-CG 4.06Å; Q578-E581 WeakPolarHBondContact CB-OE2 3.45Å; Q578-E581 PolarHBondContact N-OE2 2.91Å; Q578-E581 WeakPolarHBondContact O-CA 3.32Å; Q578-E581 WeakPolarHBondContact O-CB 3.28Å; Q578-E581 PolarHBondContact O-N 3.36Å; R579-E581 VanDerWaalsContact C-N 3.31Å; R579-E581 PolarHBondContact O-N 3.45Å; E581-L584 PolarHBondContact O-N 3.23Å; E581-L585 WeakPolarHBondContact O-CB 3.37Å; E581-L585 VanDerWaalsContact O-CG 3.3Å; E581-L585 WeakPolarHBondContact O-CG 3.45Å; E581-L585 PolarHBondContact O-N 3.31Å; E581-Y618 HydrophobicContact CG-CD1 3.89Å; E581-Y618 HydrophobicContact CG-CE1 3.56Å; E581-R629 IonicContact OE1-CZ 2.65Å; E581-R629 IonicContact OE1-NE 3.81Å; E581-R629 PolarHBondContact OE1-NE 3.35Å; E581-R629 IonicContact OE1-NH2 2.83Å; E581-R629 PolarHBondContact OE1-NH2 3.09Å; E581-R629 IonicContact OE2-CZ 3.43Å; E581-R629 IonicContact OE2-NE 2.93Å; E581-R629 IonicContact OE2-NH2 3.24Å; E581-R629 PolarHBondContact OE2-NH2 2.84Å; E581-L633 HydrophobicContact CB-CD1 4.28Å; E581-L633 HydrophobicContact CG-CD1 4.2Å
582	L	96.4	Very high	96.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-57.5	-50.8	169.6	179.6	69.9	0	0	0	111.1	E447 I526 Y530 L577 Q578 R579 L584 L585 R586	E447-L582 HydrophobicContact CG-CD2 4.45Å; E447-L582 VanDerWaalsContact OE1-CD2 3.32Å; E447-L582 WeakPolarHBondContact OE1-CD2 3.48Å; I526-L582 HydrophobicContact CD1-CD1 3.94Å; I526-L582 HydrophobicContact CG1-CD1 3.77Å; Y530-L582 HydrophobicContact CD1-CD2 3.45Å; Y530-L582 VanDerWaalsContact CD1-CD2 3.45Å; Y530-L582 HydrophobicContact CD2-CD2 4.05Å; Y530-L582 HydrophobicContact CE1-CD2 3.74Å; Y530-L582 HydrophobicContact CE2-CD2 4.32Å; Y530-L582 HydrophobicContact CG-CD1 4.25Å; Y530-L582 HydrophobicContact CG-CD2 3.6Å; Y530-L582 HydrophobicContact CG-CG 4.47Å; L577-L582 HydrophobicContact CD2-CD1 4.38Å; Q578-L582 PolarHBondContact O-N 3.48Å; R579-L582 WeakPolarHBondContact O-CB 3.49Å; R579-L582 PolarHBondContact O-N 3.34Å; L582-L584 VanDerWaalsContact C-N 3.29Å; L582-L584 PolarHBondContact O-N 3.16Å; L582-L585 PolarHBondContact O-N 2.84Å; L582-R586 HydrophobicContact CD1-CG 4.31Å; L582-R586 HydrophobicContact CG-CG 4.42Å; L582-R586 WeakPolarHBondContact O-CB 3.24Å; L582-R586 VanDerWaalsContact O-CG 3.3Å; L582-R586 WeakPolarHBondContact O-CG 3.37Å; L582-R586 PolarHBondContact O-N 3.44Å
583	A	97	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-41.3	179	0	0	0	0	0	112.4	L443 E447 R579 T580 A587	L443-A583 HydrophobicContact CB-CB 4.21Å; E447-A583 HydrophobicContact CB-CB 3.78Å; E447-A583 HydrophobicContact CG-CB 3.92Å; R579-A583 PolarHBondContact O-N 2.96Å; T580-A583 PolarHBondContact O-N 3.2Å; A583-A587 WeakPolarHBondContact O-CB 3.33Å; A583-A587 PolarHBondContact O-N 3.46Å
584	L	97.5	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-46.4	174.8	-79.2	161	0	0	0	112.5	L440 L443 T580 E581 L582 R586 A587 I588 L611 A614 L615	L440-L584 HydrophobicContact CD2-CD1 3.84Å; L440-L584 HydrophobicContact CD2-CD2 3.79Å; L440-L584 HydrophobicContact CD2-CG 4.05Å; L443-L584 HydrophobicContact CD1-CD2 3.82Å; L443-L584 HydrophobicContact CD1-CG 4.39Å; T580-L584 HydrophobicContact CG2-CD1 4.43Å; T580-L584 WeakPolarHBondContact O-CD1 3.45Å; T580-L584 WeakPolarHBondContact O-CG 3.49Å; T580-L584 PolarHBondContact O-N 3.03Å; E581-L584 PolarHBondContact O-N 3.23Å; L582-L584 VanDerWaalsContact C-N 3.29Å; L582-L584 PolarHBondContact O-N 3.16Å; L584-R586 VanDerWaalsContact C-N 3.34Å; L584-R586 PolarHBondContact O-N 3.11Å; L584-A587 PolarHBondContact O-N 3.08Å; L584-I588 VanDerWaalsContact O-CG1 3.28Å; L584-I588 WeakPolarHBondContact O-CG1 3.41Å; L584-I588 PolarHBondContact O-N 3.38Å; L584-L611 HydrophobicContact CD2-CD2 3.95Å; L584-A614 HydrophobicContact CD2-CB 3.96Å; L584-L615 HydrophobicContact CB-CB 4.46Å; L584-L615 HydrophobicContact CB-CD1 3.96Å; L584-L615 HydrophobicContact CD1-CB 4.16Å; L584-L615 HydrophobicContact CD1-CD1 3.7Å; L584-L615 HydrophobicContact CG-CD1 4.45Å
585	L	97.9	Very high	96.2	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-40.5	177	-72.9	171.5	0	0	0	111.7	I526 L577 E581 L582 I588 I589 L615 L633 L634 L637	I526-L585 HydrophobicContact CD1-CB 4.01Å; L577-L585 HydrophobicContact CD1-CD1 4.12Å; E581-L585 WeakPolarHBondContact O-CB 3.37Å; E581-L585 VanDerWaalsContact O-CG 3.3Å; E581-L585 WeakPolarHBondContact O-CG 3.45Å; E581-L585 PolarHBondContact O-N 3.31Å; L582-L585 PolarHBondContact O-N 2.84Å; L585-I588 PolarHBondContact O-N 2.7Å; L585-I589 VanDerWaalsContact O-CG1 3.3Å; L585-I589 WeakPolarHBondContact O-CG1 3.45Å; L585-I589 PolarHBondContact O-N 3.3Å; L585-L615 HydrophobicContact CD2-CD2 4.28Å; L585-L633 HydrophobicContact CD1-CD2 4.34Å; L585-L633 HydrophobicContact CD2-CB 4.49Å; L585-L634 HydrophobicContact CD2-CD2 4.39Å; L585-L637 HydrophobicContact CD2-CD1 4.45Å; L585-L637 HydrophobicContact CD2-CD2 4.17Å; L585-L637 HydrophobicContact CD2-CG 4.35Å
586	R	97.3	Very high	96	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-42.2	174.7	-70.6	179.2	80	147.5	19.7	112.2	E447 M450 W495 L523 I526 S527 L582 L584 I589 L590	E447-R586 WeakPolarHBondContact OE1-CD 3.4Å; E447-R586 IonicContact OE1-CZ 3.17Å; E447-R586 IonicContact OE1-NE 3.53Å; E447-R586 IonicContact OE1-NH1 3.46Å; E447-R586 PolarHBondContact OE1-NH1 3.19Å; E447-R586 WeakPolarHBondContact OE2-CD 3.32Å; E447-R586 IonicContact OE2-NE 4Å; E447-R586 IonicContact OE2-NH1 2.71Å; M450-R586 PolarHBondContact SD-NH2 3.41Å; W495-R586 HydrophobicContact CH2-CB 3.8Å; W495-R586 HydrophobicContact CZ2-CB 3.5Å; L523-R586 HydrophobicContact CD2-CB 3.73Å; L523-R586 HydrophobicContact CD2-CG 3.96Å; L523-R586 PolarHBondContact O-NH2 3.44Å; I526-R586 HydrophobicContact CD1-CG 4.36Å; I526-R586 HydrophobicContact CG2-CG 3.68Å; S527-R586 PolarHBondContact OG-NH1 3.05Å; S527-R586 PolarHBondContact OG-NH2 3.17Å; L582-R586 HydrophobicContact CD1-CG 4.31Å; L582-R586 HydrophobicContact CG-CG 4.42Å; L582-R586 WeakPolarHBondContact O-CB 3.24Å; L582-R586 VanDerWaalsContact O-CG 3.3Å; L582-R586 WeakPolarHBondContact O-CG 3.37Å; L582-R586 PolarHBondContact O-N 3.44Å; L584-R586 VanDerWaalsContact C-N 3.34Å; L584-R586 PolarHBondContact O-N 3.11Å; R586-I589 WeakPolarHBondContact O-CB 3.46Å; R586-I589 PolarHBondContact O-N 3.05Å; R586-L590 PolarHBondContact O-N 3.49Å
587	A	97.6	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-39.4	174.4	0	0	0	0	0	112	L443 A583 L584 I589 L590 F591 L611	L443-A587 HydrophobicContact CD2-CB 3.57Å; A583-A587 WeakPolarHBondContact O-CB 3.33Å; A583-A587 PolarHBondContact O-N 3.46Å; L584-A587 PolarHBondContact O-N 3.08Å; A587-I589 VanDerWaalsContact C-N 3.31Å; A587-I589 PolarHBondContact O-N 3.31Å; A587-L590 PolarHBondContact O-N 3.29Å; A587-F591 HydrophobicContact CB-CD2 4.44Å; A587-F591 VanDerWaalsContact O-CD2 3.28Å; A587-F591 WeakPolarHBondContact O-CD2 3.38Å; A587-F591 PolarHBondContact O-N 2.84Å; A587-L611 HydrophobicContact CB-CD1 3.69Å; A587-L611 HydrophobicContact CB-CD2 3.73Å; A587-L611 HydrophobicContact CB-CG 4.38Å
588	I	98	Very high	95.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-60.8	-40.6	173.4	-70.7	163.1	0	0	0	111.1	L584 L585 R608 L611 Y612 L615 L634 L637	L584-I588 VanDerWaalsContact O-CG1 3.28Å; L584-I588 WeakPolarHBondContact O-CG1 3.41Å; L584-I588 PolarHBondContact O-N 3.38Å; L585-I588 PolarHBondContact O-N 2.7Å; I588-R608 PolarHBondContact O-NE 3.15Å; I588-R608 PolarHBondContact O-NH2 3.11Å; I588-L611 HydrophobicContact CD1-CB 4.47Å; I588-L611 HydrophobicContact CG1-CB 3.76Å; I588-Y612 HydrophobicContact CD1-CD1 3.77Å; I588-Y612 HydrophobicContact CD1-CE1 3.99Å; I588-Y612 HydrophobicContact CG1-CD1 4.19Å; I588-Y612 HydrophobicContact CG1-CE1 4.18Å; I588-Y612 HydrophobicContact CG2-CD1 4.49Å; I588-Y612 HydrophobicContact CG2-CE1 3.67Å; I588-L615 HydrophobicContact CD1-CD2 3.96Å; I588-L634 HydrophobicContact CD1-CD2 4.1Å; I588-L637 HydrophobicContact CG2-CD1 3.87Å
589	I	98	Very high	95.5	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-48	174	-71.3	163.4	0	0	0	110.9	A519 E522 L523 I526 L585 R586 A587 L637 L640	A519-I589 HydrophobicContact CB-CG2 4.09Å; E522-I589 HydrophobicContact CB-CD1 4.39Å; E522-I589 HydrophobicContact CB-CG2 3.63Å; L523-I589 HydrophobicContact CD2-CB 4.2Å; L523-I589 HydrophobicContact CD2-CG2 3.91Å; L523-I589 HydrophobicContact CG-CG2 3.93Å; I526-I589 HydrophobicContact CD1-CD1 3.86Å; L585-I589 VanDerWaalsContact O-CG1 3.3Å; L585-I589 WeakPolarHBondContact O-CG1 3.45Å; L585-I589 PolarHBondContact O-N 3.3Å; R586-I589 WeakPolarHBondContact O-CB 3.46Å; R586-I589 PolarHBondContact O-N 3.05Å; A587-I589 VanDerWaalsContact C-N 3.31Å; A587-I589 PolarHBondContact O-N 3.31Å; I589-L637 HydrophobicContact CD1-CD2 3.81Å; I589-L637 HydrophobicContact CG1-CD2 3.78Å; I589-L640 HydrophobicContact CD1-CD2 4.33Å
590	L	97.6	Very high	95.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-53.3	-179.4	178.1	69.5	0	0	0	112.7	W495 A496 L499 F502 L515 I516 A519 L523 R586 A587 N592	W495-L590 HydrophobicContact CH2-CB 4Å; W495-L590 HydrophobicContact CH2-CD2 4.07Å; W495-L590 HydrophobicContact CZ3-CB 4.05Å; W495-L590 HydrophobicContact CZ3-CD1 4.38Å; W495-L590 HydrophobicContact CZ3-CD2 3.72Å; W495-L590 HydrophobicContact CZ3-CG 4.25Å; A496-L590 HydrophobicContact CB-CD2 4.04Å; L499-L590 HydrophobicContact CD1-CD2 3.9Å; F502-L590 HydrophobicContact CD2-CD2 3.93Å; F502-L590 HydrophobicContact CE2-CD1 4.24Å; F502-L590 HydrophobicContact CE2-CD2 4.34Å; L515-L590 HydrophobicContact CB-CD1 4.26Å; L515-L590 WeakPolarHBondContact CD2-O 3.18Å; I516-L590 HydrophobicContact CG1-CD1 4.01Å; A519-L590 HydrophobicContact CB-CD1 4.32Å; L523-L590 HydrophobicContact CD1-CD1 4.4Å; R586-L590 PolarHBondContact O-N 3.49Å; A587-L590 PolarHBondContact O-N 3.29Å; L590-N592 PolarHBondContact O-N 3.45Å
591	F	97.3	Very high	95.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-80.7	71.3	-176.1	-66.1	-71.6	0	0	0	110.6	L438 L499 V501 F502 L507 L515 A587 P593 V604 V607 R608 L611	L438-F591 HydrophobicContact CD2-CE2 4.14Å; L499-F591 HydrophobicContact CD1-CE2 3.96Å; L499-F591 HydrophobicContact CD1-CZ 4.29Å; V501-F591 HydrophobicContact CB-CE1 4.49Å; V501-F591 HydrophobicContact CB-CZ 4.24Å; V501-F591 HydrophobicContact CG1-CE1 4.02Å; V501-F591 HydrophobicContact CG1-CZ 4.25Å; F502-F591 HydrophobicContact CB-CE1 4.38Å; F502-F591 HydrophobicContact CB-CZ 4.14Å; F502-F591 HydrophobicContact CD2-CE1 4.26Å; L507-F591 HydrophobicContact CD1-CD1 4.36Å; L507-F591 HydrophobicContact CD1-CE1 3.94Å; L515-F591 HydrophobicContact CD1-CD1 4.02Å; L515-F591 HydrophobicContact CD1-CE1 4.43Å; A587-F591 HydrophobicContact CB-CD2 4.44Å; A587-F591 VanDerWaalsContact O-CD2 3.28Å; A587-F591 WeakPolarHBondContact O-CD2 3.38Å; A587-F591 PolarHBondContact O-N 2.84Å; F591-P593 VanDerWaalsContact O-CD 3.28Å; F591-P593 WeakPolarHBondContact O-CD 3.4Å; F591-V604 VanDerWaalsContact C-CG1 3.4Å; F591-V604 HydrophobicContact CB-CG1 4.03Å; F591-V607 HydrophobicContact CB-CG1 4.14Å; F591-V607 HydrophobicContact CD1-CB 4.39Å; F591-V607 HydrophobicContact CD1-CG1 3.82Å; F591-V607 HydrophobicContact CD2-CG1 3.66Å; F591-V607 HydrophobicContact CE1-CG1 4.11Å; F591-V607 HydrophobicContact CE2-CG1 3.94Å; F591-V607 HydrophobicContact CG-CB 4.34Å; F591-V607 HydrophobicContact CG-CG1 3.59Å; F591-V607 HydrophobicContact CZ-CG1 4.16Å; F591-R608 PolarHBondContact O-NE 3.43Å; F591-L611 HydrophobicContact CB-CD1 4.47Å; F591-L611 HydrophobicContact CD2-CD1 3.64Å; F591-L611 HydrophobicContact CE2-CD1 4.36Å; F591-L611 HydrophobicContact CG-CD1 4.44Å
592	N	96.2	Very high	95.2	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.043	19%	0.192	C	C	.	.			trans	-99.1	101	-177.5	-170.6	43.8	0	0	0	112.5	L590 D594 A595 L598 R608	L590-N592 PolarHBondContact O-N 3.45Å; N592-D594 PolarHBondContact O-N 3.38Å; N592-D594 VanDerWaalsContact O-N 3.09Å; N592-A595 PolarHBondContact ND2-N 3.11Å; N592-A595 VanDerWaalsContact O-CB 3.31Å; N592-A595 WeakPolarHBondContact O-CB 3.46Å; N592-A595 PolarHBondContact O-N 3.17Å; N592-L598 WeakPolarHBondContact O-CD1 3.28Å; N592-R608 VanDerWaalsContact OD1-CZ 3.31Å; N592-R608 PolarHBondContact OD1-NH1 3.14Å; N592-R608 PolarHBondContact OD1-NH2 3.33Å
593	P	96.4	Very high	95	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.039	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.5	174.5	25.8	-35.5	0	0	0	113.4	F591 A595 R601 V604 E605	F591-P593 VanDerWaalsContact O-CD 3.28Å; F591-P593 WeakPolarHBondContact O-CD 3.4Å; P593-A595 VanDerWaalsContact C-N 3.28Å; P593-A595 PolarHBondContact O-N 3.09Å; P593-R601 HydrophobicContact CB-CG 3.73Å; P593-R601 VanDerWaalsContact O-CD 3.28Å; P593-R601 WeakPolarHBondContact O-CD 3.45Å; P593-R601 WeakPolarHBondContact O-CG 3.38Å; P593-R601 PolarHBondContact O-NE 3Å; P593-R601 PolarHBondContact O-NH1 3.24Å; P593-V604 HydrophobicContact CB-CB 4.45Å; P593-V604 HydrophobicContact CB-CG1 4.48Å; P593-E605 HydrophobicContact CB-CB 4Å; P593-E605 HydrophobicContact CG-CB 4.16Å; P593-E605 HydrophobicContact CG-CG 4.34Å
594	D	95.2	Very high	94.9	Very high	91 Å²	91	35.4 Å²	35.4	49%	0.487	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	6.5	172.8	-57.3	-60.8	0	0	0	114.6	N592 R601	N592-D594 PolarHBondContact O-N 3.38Å; N592-D594 VanDerWaalsContact O-N 3.09Å; D594-R601 IonicContact OD1-CZ 3.72Å; D594-R601 IonicContact OD1-NH1 2.69Å; D594-R601 PolarHBondContact OD1-NH1 3.33Å; D594-R601 VanDerWaalsContact OD1-NH1 3.15Å; D594-R601 IonicContact OD1-NH2 2.81Å; D594-R601 PolarHBondContact OD1-NH2 2.97Å
595	A	93.3	Very high	94.8	Very high	7 Å²	7	39.4 Å²	39.4	6%	0.058	22%	0.217	C	C	.	.	S	Bend	trans	-69.3	134.4	171.9	0	0	0	0	0	111.1	L515 A518 N592 P593 L598	L515-A595 HydrophobicContact CD2-CB 4.26Å; A518-A595 HydrophobicContact CB-CB 3.72Å; N592-A595 PolarHBondContact ND2-N 3.11Å; N592-A595 VanDerWaalsContact O-CB 3.31Å; N592-A595 WeakPolarHBondContact O-CB 3.46Å; N592-A595 PolarHBondContact O-N 3.17Å; P593-A595 VanDerWaalsContact C-N 3.28Å; P593-A595 PolarHBondContact O-N 3.09Å; A595-L598 HydrophobicContact CB-CD1 3.95Å; A595-L598 HydrophobicContact CB-CG 4.04Å; A595-L598 WeakPolarHBondContact O-CG 3.48Å
596	N	91.3	Very high	94.6	Very high	153 Å²	153	41 Å²	41	82%	0.818	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	135.3	178.2	-70.7	-30.4	0	0	0	110.8	C514	C514-N596 PolarHBondContact SG-O 3.04Å
597	G	89.7	Confident	94.5	Very high	62 Å²	62	40.9 Å²	40.9	64%	0.639	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.7	-7.2	176.3	0	0	0	0	0	115.8	S599	G597-S599 PolarHBondContact O-N 2.89Å
598	L	92.7	Very high	94.5	Very high	27 Å²	27	42.4 Å²	42.4	14%	0.141	24%	0.236	C	C	.	.			trans	-60.6	127.3	-179.5	-67.6	178.7	0	0	0	113.6	D511 C514 L515 N592 A595 V604	D511-L598 HydrophobicContact CB-CD2 3.84Å; C514-L598 HydrophobicContact CB-CD2 3.91Å; L515-L598 HydrophobicContact CD2-CD1 4.08Å; L515-L598 HydrophobicContact CD2-CD2 3.91Å; L515-L598 HydrophobicContact CG-CD2 4.04Å; N592-L598 WeakPolarHBondContact O-CD1 3.28Å; A595-L598 HydrophobicContact CB-CD1 3.95Å; A595-L598 HydrophobicContact CB-CG 4.04Å; A595-L598 WeakPolarHBondContact O-CG 3.48Å; L598-V604 HydrophobicContact CD1-CB 4.43Å; L598-V604 HydrophobicContact CD1-CG2 4.06Å; L598-V604 HydrophobicContact CD2-CG2 4.41Å
599	S	91.8	Very high	94.3	Very high	87 Å²	87	48.2 Å²	48.2	61%	0.608	26%	0.262	S	S	*	.	S	Bend	trans	-76.2	-43.4	172.4	-43	0	0	0	0	111.4	D511 G597	D511-S599 WeakPolarHBondContact OD1-CB 3.35Å; D511-S599 PolarHBondContact OD1-N 3.44Å; D511-S599 PolarHBondContact OD1-OG 3.11Å; D511-S599 PolarHBondContact OD2-N 3.34Å; G597-S599 PolarHBondContact O-N 2.89Å
600	S	90.4	Very high	94.2	Very high	22 Å²	22	50.2 Å²	50.2	15%	0.154	27%	0.272	C	S	.	.			trans	-113.2	45.6	-170.8	-61.3	0	0	0	0	112.7	D511 H602 R603 V604	D511-S600 WeakPolarHBondContact OD2-CA 3.31Å; D511-S600 WeakPolarHBondContact OD2-CB 3.13Å; D511-S600 PolarHBondContact OD2-N 3.14Å; S600-H602 PolarHBondContact O-N 3.37Å; S600-R603 WeakPolarHBondContact O-CA 3.41Å; S600-R603 VanDerWaalsContact O-CB 3.3Å; S600-R603 WeakPolarHBondContact O-CB 3.28Å; S600-R603 PolarHBondContact O-N 3.39Å; S600-V604 PolarHBondContact O-N 3.12Å
601	R	93.9	Very high	94.1	Very high	109 Å²	109	50.2 Å²	50.2	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-43.6	-44.2	-178.8	179.2	169.6	171.4	126	0.3	114.5	P593 D594 R603 V604 E605	P593-R601 HydrophobicContact CB-CG 3.73Å; P593-R601 VanDerWaalsContact O-CD 3.28Å; P593-R601 WeakPolarHBondContact O-CD 3.45Å; P593-R601 WeakPolarHBondContact O-CG 3.38Å; P593-R601 PolarHBondContact O-NE 3Å; P593-R601 PolarHBondContact O-NH1 3.24Å; D594-R601 IonicContact OD1-CZ 3.72Å; D594-R601 IonicContact OD1-NH1 2.69Å; D594-R601 PolarHBondContact OD1-NH1 3.33Å; D594-R601 VanDerWaalsContact OD1-NH1 3.15Å; D594-R601 IonicContact OD1-NH2 2.81Å; D594-R601 PolarHBondContact OD1-NH2 2.97Å; R601-R603 VanDerWaalsContact C-N 3.31Å; R601-R603 PolarHBondContact O-N 2.85Å; R601-V604 PolarHBondContact O-N 2.92Å; R601-E605 WeakPolarHBondContact O-CB 3.32Å; R601-E605 PolarHBondContact O-N 2.99Å
602	H	93	Very high	94.1	Very high	124 Å²	124	54 Å²	54	57%	0.574	29%	0.287	S	S	*	.	H	α-helix	trans	-61.8	-32.6	178.3	64.1	-86.6	0	0	0	113.8	S600 A606	S600-H602 PolarHBondContact O-N 3.37Å; H602-A606 PolarHBondContact O-N 3.46Å; H602-A606 VanDerWaalsContact O-N 3.1Å
603	R	92.9	Very high	94.1	Very high	37 Å²	37	56.5 Å²	56.5	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-68.7	-43.4	175.1	-66.6	-167.6	-177.5	-175.8	-3.7	111	T433 Y506 L507 S600 R601 E605 V607	T433-R603 PolarHBondContact OG1-NH1 3.35Å; T433-R603 PolarHBondContact OG1-NH2 3.36Å; Y506-R603 HydrophobicContact CD1-CB 4.24Å; Y506-R603 HydrophobicContact CE1-CB 3.51Å; Y506-R603 HydrophobicContact CE1-CG 4.08Å; Y506-R603 HydrophobicContact CE2-CG 4.31Å; Y506-R603 WeakPolarHBondContact O-CD 3.33Å; Y506-R603 PolarHBondContact O-NH1 3.24Å; L507-R603 HydrophobicContact CD2-CB 4.13Å; S600-R603 WeakPolarHBondContact O-CA 3.41Å; S600-R603 VanDerWaalsContact O-CB 3.3Å; S600-R603 WeakPolarHBondContact O-CB 3.28Å; S600-R603 PolarHBondContact O-N 3.39Å; R601-R603 VanDerWaalsContact C-N 3.31Å; R601-R603 PolarHBondContact O-N 2.85Å; R603-E605 VanDerWaalsContact C-N 3.33Å; R603-V607 VanDerWaalsContact O-CG2 3.24Å; R603-V607 WeakPolarHBondContact O-CG2 3.33Å; R603-V607 PolarHBondContact O-N 3.03Å
604	V	95.1	Very high	94.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-39.3	176.3	-174.5	0	0	0	0	111.1	L507 L515 F591 P593 L598 S600 R601 V607 R608	L507-V604 HydrophobicContact CD2-CG2 3.87Å; L515-V604 HydrophobicContact CD1-CG1 4.4Å; L515-V604 HydrophobicContact CD1-CG2 4.28Å; L515-V604 HydrophobicContact CD2-CG1 3.73Å; L515-V604 HydrophobicContact CD2-CG2 4.27Å; F591-V604 VanDerWaalsContact C-CG1 3.4Å; F591-V604 HydrophobicContact CB-CG1 4.03Å; P593-V604 HydrophobicContact CB-CB 4.45Å; P593-V604 HydrophobicContact CB-CG1 4.48Å; L598-V604 HydrophobicContact CD1-CB 4.43Å; L598-V604 HydrophobicContact CD1-CG2 4.06Å; L598-V604 HydrophobicContact CD2-CG2 4.41Å; S600-V604 PolarHBondContact O-N 3.12Å; R601-V604 PolarHBondContact O-N 2.92Å; V604-V607 PolarHBondContact O-N 3.46Å; V604-R608 PolarHBondContact O-N 2.89Å; V604-R608 VanDerWaalsContact O-N 3.08Å
605	E	95.4	Very high	94.2	Very high	85 Å²	85	52 Å²	52	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-49.1	177.1	-166.4	157.2	-145.5	0	0	111.9	P593 R601 R603 V607 R608 E609	P593-E605 HydrophobicContact CB-CB 4Å; P593-E605 HydrophobicContact CG-CB 4.16Å; P593-E605 HydrophobicContact CG-CG 4.34Å; R601-E605 WeakPolarHBondContact O-CB 3.32Å; R601-E605 PolarHBondContact O-N 2.99Å; R603-E605 VanDerWaalsContact C-N 3.33Å; E605-V607 VanDerWaalsContact C-N 3.29Å; E605-V607 PolarHBondContact O-N 3.03Å; E605-R608 WeakPolarHBondContact O-CB 3.42Å; E605-R608 PolarHBondContact O-N 3.15Å; E605-R608 VanDerWaalsContact O-N 3.08Å; E605-E609 PolarHBondContact O-N 2.76Å
606	A	94	Very high	94.3	Very high	33 Å²	33	56 Å²	56	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-36.2	176	0	0	0	0	0	113.3	H602 E609 Q610	H602-A606 PolarHBondContact O-N 3.46Å; H602-A606 VanDerWaalsContact O-N 3.1Å; A606-E609 PolarHBondContact O-N 2.66Å; A606-Q610 PolarHBondContact O-N 3.43Å; A606-Q610 VanDerWaalsContact O-N 3.15Å
607	V	95.2	Very high	94.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-42.2	175.4	177.4	0	0	0	0	111	L435 L438 V501 Y506 F591 R603 V604 E605 Q610 L611	L435-V607 HydrophobicContact CD1-CG2 3.61Å; L438-V607 HydrophobicContact CD2-CG1 4.15Å; V501-V607 HydrophobicContact CG1-CG1 4.24Å; V501-V607 HydrophobicContact CG1-CG2 3.59Å; Y506-V607 HydrophobicContact CE1-CG2 3.97Å; F591-V607 HydrophobicContact CB-CG1 4.14Å; F591-V607 HydrophobicContact CD1-CB 4.39Å; F591-V607 HydrophobicContact CD1-CG1 3.82Å; F591-V607 HydrophobicContact CD2-CG1 3.66Å; F591-V607 HydrophobicContact CE1-CG1 4.11Å; F591-V607 HydrophobicContact CE2-CG1 3.94Å; F591-V607 HydrophobicContact CG-CB 4.34Å; F591-V607 HydrophobicContact CG-CG1 3.59Å; F591-V607 HydrophobicContact CZ-CG1 4.16Å; R603-V607 VanDerWaalsContact O-CG2 3.24Å; R603-V607 WeakPolarHBondContact O-CG2 3.33Å; R603-V607 PolarHBondContact O-N 3.03Å; V604-V607 PolarHBondContact O-N 3.46Å; E605-V607 VanDerWaalsContact C-N 3.29Å; E605-V607 PolarHBondContact O-N 3.03Å; V607-Q610 PolarHBondContact O-N 3.38Å; V607-L611 HydrophobicContact CG1-CD1 4.09Å; V607-L611 WeakPolarHBondContact O-CG 3.49Å; V607-L611 PolarHBondContact O-N 3.38Å
608	R	96.2	Very high	94.8	Very high	32 Å²	32	48.5 Å²	48.5	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-38.5	176.2	179.1	176.2	-93.5	-174.8	-3.1	111.9	I588 F591 N592 V604 E605 L611 Y612	I588-R608 PolarHBondContact O-NE 3.15Å; I588-R608 PolarHBondContact O-NH2 3.11Å; F591-R608 PolarHBondContact O-NE 3.43Å; N592-R608 VanDerWaalsContact OD1-CZ 3.31Å; N592-R608 PolarHBondContact OD1-NH1 3.14Å; N592-R608 PolarHBondContact OD1-NH2 3.33Å; V604-R608 PolarHBondContact O-N 2.89Å; V604-R608 VanDerWaalsContact O-N 3.08Å; E605-R608 WeakPolarHBondContact O-CB 3.42Å; E605-R608 PolarHBondContact O-N 3.15Å; E605-R608 VanDerWaalsContact O-N 3.08Å; R608-L611 PolarHBondContact O-N 3.04Å; R608-Y612 HydrophobicContact CG-CD2 4.22Å; R608-Y612 HydrophobicContact CG-CE1 4.4Å; R608-Y612 HydrophobicContact CG-CE2 3.63Å; R608-Y612 WeakPolarHBondContact O-CD2 3.49Å; R608-Y612 PolarHBondContact O-N 2.97Å
609	E	95.5	Very high	94.9	Very high	122 Å²	122	47.4 Å²	47.4	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-62.9	-40.6	173.9	-70.3	-174.1	151.6	0	0	112.9	E605 A606 Y612 S613	E605-E609 PolarHBondContact O-N 2.76Å; A606-E609 PolarHBondContact O-N 2.66Å; E609-Y612 PolarHBondContact O-N 3.08Å; E609-S613 WeakPolarHBondContact O-CB 3.35Å; E609-S613 PolarHBondContact O-N 3.19Å; E609-S613 PolarHBondContact O-OG 3.14Å
610	Q	94.5	Very high	95.1	Very high	47 Å²	47	46.5 Å²	46.5	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-36.5	174.1	-71.2	-169.4	0.8	0	0	112.2	I398 A606 V607 S613 A614	I398-Q610 HydrophobicContact CD1-CB 4.22Å; A606-Q610 PolarHBondContact O-N 3.43Å; A606-Q610 VanDerWaalsContact O-N 3.15Å; V607-Q610 PolarHBondContact O-N 3.38Å; Q610-S613 PolarHBondContact O-N 2.79Å; Q610-A614 WeakPolarHBondContact O-CB 3.33Å; Q610-A614 PolarHBondContact O-N 3.19Å
611	L	97	Very high	95.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-39.2	175.2	-73	164.7	0	0	0	112.7	L438 L443 L584 A587 I588 F591 V607 R608 S613 A614 L615	L438-L611 HydrophobicContact CD2-CD1 4.29Å; L438-L611 HydrophobicContact CD2-CD2 3.86Å; L438-L611 HydrophobicContact CD2-CG 4.19Å; L443-L611 HydrophobicContact CD1-CD2 3.83Å; L443-L611 HydrophobicContact CD2-CD2 4.42Å; L584-L611 HydrophobicContact CD2-CD2 3.95Å; A587-L611 HydrophobicContact CB-CD1 3.69Å; A587-L611 HydrophobicContact CB-CD2 3.73Å; A587-L611 HydrophobicContact CB-CG 4.38Å; I588-L611 HydrophobicContact CD1-CB 4.47Å; I588-L611 HydrophobicContact CG1-CB 3.76Å; F591-L611 HydrophobicContact CB-CD1 4.47Å; F591-L611 HydrophobicContact CD2-CD1 3.64Å; F591-L611 HydrophobicContact CE2-CD1 4.36Å; F591-L611 HydrophobicContact CG-CD1 4.44Å; V607-L611 HydrophobicContact CG1-CD1 4.09Å; V607-L611 WeakPolarHBondContact O-CG 3.49Å; V607-L611 PolarHBondContact O-N 3.38Å; R608-L611 PolarHBondContact O-N 3.04Å; L611-S613 VanDerWaalsContact C-N 3.35Å; L611-A614 PolarHBondContact O-N 3.22Å; L611-L615 WeakPolarHBondContact O-CB 3.47Å; L611-L615 PolarHBondContact O-N 3.46Å
612	Y	97.2	Very high	95.2	Very high	80 Å²	80	47.1 Å²	47.1	31%	0.314	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-44.2	169.7	-66.5	-38.6	0	0	0	111.5	I588 R608 E609 A614 L615 H616 F630 L634	I588-Y612 HydrophobicContact CD1-CD1 3.77Å; I588-Y612 HydrophobicContact CD1-CE1 3.99Å; I588-Y612 HydrophobicContact CG1-CD1 4.19Å; I588-Y612 HydrophobicContact CG1-CE1 4.18Å; I588-Y612 HydrophobicContact CG2-CD1 4.49Å; I588-Y612 HydrophobicContact CG2-CE1 3.67Å; R608-Y612 HydrophobicContact CG-CD2 4.22Å; R608-Y612 HydrophobicContact CG-CE1 4.4Å; R608-Y612 HydrophobicContact CG-CE2 3.63Å; R608-Y612 WeakPolarHBondContact O-CD2 3.49Å; R608-Y612 PolarHBondContact O-N 2.97Å; E609-Y612 PolarHBondContact O-N 3.08Å; Y612-A614 VanDerWaalsContact C-N 3.35Å; Y612-A614 PolarHBondContact O-N 3.25Å; Y612-L615 PolarHBondContact O-N 2.87Å; Y612-H616 WeakPolarHBondContact O-CB 3.43Å; Y612-H616 PolarHBondContact O-N 2.91Å; Y612-F630 WeakPolarHBondContact O-CE2 3.4Å; Y612-L634 HydrophobicContact CD1-CD1 4.23Å; Y612-L634 HydrophobicContact CD1-CD2 4.01Å; Y612-L634 HydrophobicContact CE1-CD1 4.32Å; Y612-L634 HydrophobicContact CE1-CD2 3.82Å
613	S	95.9	Very high	95	Very high	60 Å²	60	44.2 Å²	44.2	42%	0.42	23%	0.23	S	C	.	.	H	α-helix	trans	-63.9	-38.8	178.7	-56.7	0	0	0	0	112.4	E609 Q610 L611 S617	E609-S613 WeakPolarHBondContact O-CB 3.35Å; E609-S613 PolarHBondContact O-N 3.19Å; E609-S613 PolarHBondContact O-OG 3.14Å; Q610-S613 PolarHBondContact O-N 2.79Å; L611-S613 VanDerWaalsContact C-N 3.35Å; S613-S617 VanDerWaalsContact O-CB 3.32Å; S613-S617 WeakPolarHBondContact O-CB 3.34Å; S613-S617 PolarHBondContact O-N 3.43Å; S613-S617 PolarHBondContact O-OG 3.25Å
614	A	95.9	Very high	94.8	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-43.4	174.6	0	0	0	0	0	112.2	I398 L440 L584 Q610 L611 Y612 S617 Y618	I398-A614 HydrophobicContact CD1-CB 3.83Å; L440-A614 HydrophobicContact CD2-CB 4.17Å; L584-A614 HydrophobicContact CD2-CB 3.96Å; Q610-A614 WeakPolarHBondContact O-CB 3.33Å; Q610-A614 PolarHBondContact O-N 3.19Å; L611-A614 PolarHBondContact O-N 3.22Å; Y612-A614 VanDerWaalsContact C-N 3.35Å; Y612-A614 PolarHBondContact O-N 3.25Å; A614-S617 PolarHBondContact O-N 3.39Å; A614-Y618 VanDerWaalsContact O-CB 3.28Å; A614-Y618 WeakPolarHBondContact O-CB 3.06Å; A614-Y618 PolarHBondContact O-N 3.36Å
615	L	96.6	Very high	94.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.4	-40.2	177.1	-176.6	65.6	0	0	0	112	L584 L585 I588 L611 Y612 Y618 C619 F630 L633 L634	L584-L615 HydrophobicContact CB-CB 4.46Å; L584-L615 HydrophobicContact CB-CD1 3.96Å; L584-L615 HydrophobicContact CD1-CB 4.16Å; L584-L615 HydrophobicContact CD1-CD1 3.7Å; L584-L615 HydrophobicContact CG-CD1 4.45Å; L585-L615 HydrophobicContact CD2-CD2 4.28Å; I588-L615 HydrophobicContact CD1-CD2 3.96Å; L611-L615 WeakPolarHBondContact O-CB 3.47Å; L611-L615 PolarHBondContact O-N 3.46Å; Y612-L615 PolarHBondContact O-N 2.87Å; L615-Y618 PolarHBondContact O-N 3.05Å; L615-C619 WeakPolarHBondContact O-CB 3.21Å; L615-C619 PolarHBondContact O-N 3.27Å; L615-C619 PolarHBondContact O-SG 3.05Å; L615-F630 HydrophobicContact CB-CD2 4.25Å; L615-F630 HydrophobicContact CB-CE2 4.16Å; L615-F630 HydrophobicContact CD2-CD2 4.16Å; L615-F630 HydrophobicContact CD2-CE2 4.23Å; L615-F630 HydrophobicContact CG-CD2 3.94Å; L615-F630 HydrophobicContact CG-CE2 4.23Å; L615-L633 HydrophobicContact CD1-CD1 4.14Å; L615-L634 HydrophobicContact CD2-CD2 3.99Å; L615-L634 HydrophobicContact CD2-CG 4.41Å
616	H	96.5	Very high	94.5	Very high	91 Å²	91	52.9 Å²	52.9	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-47.3	174.2	180	-91.8	0	0	0	111.5	Y612 C619 T620 F630	Y612-H616 WeakPolarHBondContact O-CB 3.43Å; Y612-H616 PolarHBondContact O-N 2.91Å; H616-C619 PolarHBondContact O-N 2.68Å; H616-T620 WeakPolarHBondContact O-CB 3.4Å; H616-T620 WeakPolarHBondContact O-CG2 3.44Å; H616-T620 PolarHBondContact O-N 3Å; H616-T620 PolarHBondContact O-OG1 2.79Å; H616-F630 VanDerWaalsContact CA-CD2 3.48Å; H616-F630 HydrophobicContact CB-CD2 3.77Å; H616-F630 HydrophobicContact CB-CE2 3.75Å; H616-F630 HydrophobicContact CB-CG 4.2Å; H616-F630 HydrophobicContact CB-CZ 4.15Å; H616-F630 AromaticContact CD2-CD1 3.93Å
617	S	95.4	Very high	94.4	Very high	38 Å²	38	57.5 Å²	57.5	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-36.4	178.8	-55.7	0	0	0	0	112.2	S613 A614 T620 T621	S613-S617 VanDerWaalsContact O-CB 3.32Å; S613-S617 WeakPolarHBondContact O-CB 3.34Å; S613-S617 PolarHBondContact O-N 3.43Å; S613-S617 PolarHBondContact O-OG 3.25Å; A614-S617 PolarHBondContact O-N 3.39Å; S617-T620 WeakPolarHBondContact CA-OG1 3.4Å; S617-T620 PolarHBondContact O-OG1 2.87Å; S617-T621 VanDerWaalsContact O-CB 3.27Å; S617-T621 WeakPolarHBondContact O-CB 3.4Å; S617-T621 PolarHBondContact O-N 3.13Å; S617-T621 PolarHBondContact O-OG1 3.1Å
618	Y	95.5	Very high	94.4	Very high	18 Å²	18	59.6 Å²	59.6	7%	0.071	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-50.7	172.8	-175.8	-92.1	0	0	0	111.4	L440 Q578 T580 E581 A614 L615 T620 T621 N622	L440-Y618 HydrophobicContact CD1-CD2 3.89Å; Q578-Y618 PolarHBondContact OE1-OH 3.03Å; Q578-Y618 VanDerWaalsContact OE1-OH 3.05Å; T580-Y618 HydrophobicContact CG2-CD2 4.03Å; T580-Y618 HydrophobicContact CG2-CE2 3.61Å; T580-Y618 PolarHBondContact OG1-OH 2.91Å; E581-Y618 HydrophobicContact CG-CD1 3.89Å; E581-Y618 HydrophobicContact CG-CE1 3.56Å; A614-Y618 VanDerWaalsContact O-CB 3.28Å; A614-Y618 WeakPolarHBondContact O-CB 3.06Å; A614-Y618 PolarHBondContact O-N 3.36Å; L615-Y618 PolarHBondContact O-N 3.05Å; Y618-T620 PolarHBondContact O-N 3.09Å; Y618-T621 PolarHBondContact O-N 3.25Å; Y618-N622 HydrophobicContact CE1-CB 4.34Å; Y618-N622 WeakPolarHBondContact CE2-ND2 3.5Å; Y618-N622 WeakPolarHBondContact O-CB 3.37Å; Y618-N622 PolarHBondContact O-N 3.11Å; Y618-N622 PolarHBondContact OH-ND2 3.32Å
619	C	95.8	Very high	94.4	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-59.8	-45.8	179.6	-67.9	0	0	0	0	112	L615 H616 T621 Q623 R629 F630	L615-C619 WeakPolarHBondContact O-CB 3.21Å; L615-C619 PolarHBondContact O-N 3.27Å; L615-C619 PolarHBondContact O-SG 3.05Å; H616-C619 PolarHBondContact O-N 2.68Å; C619-T621 VanDerWaalsContact C-N 3.34Å; C619-T621 PolarHBondContact O-N 3.19Å; C619-Q623 CarbonylContact O-C 3.54Å; C619-Q623 VanDerWaalsContact O-C 3.3Å; C619-Q623 WeakPolarHBondContact O-CA 3.37Å; C619-Q623 PolarHBondContact O-N 2.73Å; C619-R629 HydrophobicContact CB-CB 4.43Å; C619-F630 HydrophobicContact CB-CB 4.22Å
620	T	94.3	Very high	94.4	Very high	69 Å²	69	55.1 Å²	55.1	42%	0.423	30%	0.299	S	S	.	.	H	α-helix	trans	-70.4	-28.2	-179.2	47.6	0	0	0	0	113.2	H616 S617 Y618	H616-T620 WeakPolarHBondContact O-CB 3.4Å; H616-T620 WeakPolarHBondContact O-CG2 3.44Å; H616-T620 PolarHBondContact O-N 3Å; H616-T620 PolarHBondContact O-OG1 2.79Å; S617-T620 WeakPolarHBondContact CA-OG1 3.4Å; S617-T620 PolarHBondContact O-OG1 2.87Å; Y618-T620 PolarHBondContact O-N 3.09Å
621	T	94.1	Very high	94.5	Very high	77 Å²	77	56.5 Å²	56.5	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-80.1	-47	175.4	-54.9	0	0	0	0	112.2	S617 Y618 C619	S617-T621 VanDerWaalsContact O-CB 3.27Å; S617-T621 WeakPolarHBondContact O-CB 3.4Å; S617-T621 PolarHBondContact O-N 3.13Å; S617-T621 PolarHBondContact O-OG1 3.1Å; Y618-T621 PolarHBondContact O-N 3.25Å; C619-T621 VanDerWaalsContact C-N 3.34Å; C619-T621 PolarHBondContact O-N 3.19Å
622	N	92.3	Very high	94.5	Very high	67 Å²	67	60.2 Å²	60.2	36%	0.358	33%	0.327	S	S	.	.	H	α-helix	trans	-92.2	-23.3	-170.1	-73.4	26.5	0	0	0	113.9	Y618 P624	Y618-N622 HydrophobicContact CE1-CB 4.34Å; Y618-N622 WeakPolarHBondContact CE2-ND2 3.5Å; Y618-N622 WeakPolarHBondContact O-CB 3.37Å; Y618-N622 PolarHBondContact O-N 3.11Å; Y618-N622 PolarHBondContact OH-ND2 3.32Å; N622-P624 VanDerWaalsContact C-CD 3.48Å
623	Q	89.2	Confident	94.6	Very high	63 Å²	63	56.4 Å²	56.4	29%	0.294	31%	0.312	S	S	.	.			trans	-135.4	53.7	-178.4	-66	-66.4	-10.3	0	0	112	C619 Q625 D626	C619-Q623 CarbonylContact O-C 3.54Å; C619-Q623 VanDerWaalsContact O-C 3.3Å; C619-Q623 WeakPolarHBondContact O-CA 3.37Å; C619-Q623 PolarHBondContact O-N 2.73Å; Q623-Q625 PolarHBondContact O-N 3.41Å; Q623-D626 PolarHBondContact O-N 3.02Å
624	P	89	Confident	94.6	Very high	83 Å²	83	55.4 Å²	55.4	54%	0.539	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17	-175	25.8	-36	0	0	0	114.5	N622	N622-P624 VanDerWaalsContact C-CD 3.48Å
625	Q	92.2	Very high	94.7	Very high	183 Å²	183	59.9 Å²	59.9	86%	0.855	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.2	176.1	-58.9	-64.6	-10.4	0	0	113.1	Q623	Q623-Q625 PolarHBondContact O-N 3.41Å
626	D	91.5	Very high	94.7	Very high	37 Å²	37	62.3 Å²	62.3	20%	0.198	33%	0.334	C	S	.	.			trans	-107	78	174.8	-173.2	5.4	0	0	0	110.2	Q623 S628 R629 K632	Q623-D626 PolarHBondContact O-N 3.02Å; D626-S628 PolarHBondContact O-N 3.44Å; D626-S628 PolarHBondContact OD1-N 3.49Å; D626-S628 PolarHBondContact OD1-OG 3.24Å; D626-R629 HydrophobicContact CB-CB 4.03Å; D626-R629 VanDerWaalsContact O-CB 3.22Å; D626-R629 WeakPolarHBondContact O-CB 3.49Å; D626-R629 PolarHBondContact O-N 3.49Å; D626-R629 PolarHBondContact OD1-N 3.21Å; D626-K632 IonicContact OD1-NZ 2.69Å; D626-K632 PolarHBondContact OD1-NZ 2.65Å; D626-K632 WeakPolarHBondContact OD2-CD 3.47Å; D626-K632 IonicContact OD2-NZ 3.32Å; D626-K632 PolarHBondContact OD2-NZ 2.91Å
627	T	92.5	Very high	94.8	Very high	130 Å²	130	59.4 Å²	59.4	80%	0.798	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-18.3	175.6	57.2	0	0	0	0	113.6
628	S	94.6	Very high	94.9	Very high	46 Å²	46	61.4 Å²	61.4	32%	0.322	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-3	177.5	69.5	0	0	0	0	114.4	D626 F630 T631 K632	D626-S628 PolarHBondContact O-N 3.44Å; D626-S628 PolarHBondContact OD1-N 3.49Å; D626-S628 PolarHBondContact OD1-OG 3.24Å; S628-F630 PolarHBondContact O-N 2.93Å; S628-T631 PolarHBondContact O-N 3.34Å; S628-T631 VanDerWaalsContact O-N 3.1Å; S628-K632 WeakPolarHBondContact O-CG 3.4Å; S628-K632 PolarHBondContact O-N 3.08Å; S628-K632 WeakPolarHBondContact OG-CD 3.27Å; S628-K632 WeakPolarHBondContact OG-CE 3.26Å; S628-K632 PolarHBondContact OG-NZ 3.38Å
629	R	96.2	Very high	95	Very high	15 Å²	15	61.8 Å²	61.8	6%	0.057	34%	0.338	C	S	.	.	H	α-helix	trans	-56.9	-45.3	-173.1	-170.8	173.2	-177.4	84.4	3.4	113.2	L575 S576 E581 C619 D626 T631 K632 L633	L575-R629 VanDerWaalsContact O-CZ 3.29Å; L575-R629 PolarHBondContact O-NH1 3.18Å; L575-R629 PolarHBondContact O-NH2 3.27Å; S576-R629 PolarHBondContact O-NH2 3.36Å; E581-R629 IonicContact OE1-CZ 2.65Å; E581-R629 IonicContact OE1-NE 3.81Å; E581-R629 PolarHBondContact OE1-NE 3.35Å; E581-R629 IonicContact OE1-NH2 2.83Å; E581-R629 PolarHBondContact OE1-NH2 3.09Å; E581-R629 IonicContact OE2-CZ 3.43Å; E581-R629 IonicContact OE2-NE 2.93Å; E581-R629 IonicContact OE2-NH2 3.24Å; E581-R629 PolarHBondContact OE2-NH2 2.84Å; C619-R629 HydrophobicContact CB-CB 4.43Å; D626-R629 HydrophobicContact CB-CB 4.03Å; D626-R629 VanDerWaalsContact O-CB 3.22Å; D626-R629 WeakPolarHBondContact O-CB 3.49Å; D626-R629 PolarHBondContact O-N 3.49Å; D626-R629 PolarHBondContact OD1-N 3.21Å; R629-T631 VanDerWaalsContact C-N 3.32Å; R629-T631 PolarHBondContact O-N 2.95Å; R629-K632 WeakPolarHBondContact O-CB 3.38Å; R629-K632 PolarHBondContact O-N 2.99Å; R629-L633 HydrophobicContact CG-CD1 4.04Å; R629-L633 HydrophobicContact CG-CG 4.36Å; R629-L633 WeakPolarHBondContact O-CB 3.5Å; R629-L633 VanDerWaalsContact O-CG 3.28Å; R629-L633 WeakPolarHBondContact O-CG 3.49Å; R629-L633 PolarHBondContact O-N 3.21Å
630	F	96.8	Very high	95.1	Very high	45 Å²	45	61.6 Å²	61.6	20%	0.197	34%	0.337	C	S	.	.	H	α-helix	trans	-52	-50.5	174.9	172.3	-107.4	0	0	0	111.7	Y612 L615 H616 C619 S628 L633 L634	Y612-F630 WeakPolarHBondContact O-CE2 3.4Å; L615-F630 HydrophobicContact CB-CD2 4.25Å; L615-F630 HydrophobicContact CB-CE2 4.16Å; L615-F630 HydrophobicContact CD2-CD2 4.16Å; L615-F630 HydrophobicContact CD2-CE2 4.23Å; L615-F630 HydrophobicContact CG-CD2 3.94Å; L615-F630 HydrophobicContact CG-CE2 4.23Å; H616-F630 VanDerWaalsContact CA-CD2 3.48Å; H616-F630 HydrophobicContact CB-CD2 3.77Å; H616-F630 HydrophobicContact CB-CE2 3.75Å; H616-F630 HydrophobicContact CB-CG 4.2Å; H616-F630 HydrophobicContact CB-CZ 4.15Å; H616-F630 AromaticContact CD2-CD1 3.93Å; C619-F630 HydrophobicContact CB-CB 4.22Å; S628-F630 PolarHBondContact O-N 2.93Å; F630-L633 PolarHBondContact O-N 3Å; F630-L634 HydrophobicContact CD1-CD1 4.44Å; F630-L634 HydrophobicContact CD2-CD1 4.49Å; F630-L634 HydrophobicContact CE1-CD1 3.8Å; F630-L634 HydrophobicContact CE2-CD1 3.85Å; F630-L634 HydrophobicContact CE2-CG 4.4Å; F630-L634 HydrophobicContact CZ-CD1 3.48Å; F630-L634 VanDerWaalsContact CZ-CD1 3.48Å; F630-L634 HydrophobicContact CZ-CG 4.47Å; F630-L634 PolarHBondContact O-N 3.18Å; F630-L634 VanDerWaalsContact O-N 3.1Å
631	T	97	Very high	95.2	Very high	77 Å²	77	63.2 Å²	63.2	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-66.6	-43.1	178.9	-45.5	0	0	0	0	111.8	S628 R629 L633 L634 L635	S628-T631 PolarHBondContact O-N 3.34Å; S628-T631 VanDerWaalsContact O-N 3.1Å; R629-T631 VanDerWaalsContact C-N 3.32Å; R629-T631 PolarHBondContact O-N 2.95Å; T631-L633 VanDerWaalsContact C-N 3.3Å; T631-L633 PolarHBondContact O-N 2.94Å; T631-L634 PolarHBondContact O-N 3.2Å; T631-L635 HydrophobicContact CG2-CD1 4.01Å; T631-L635 HydrophobicContact CG2-CG 4.4Å; T631-L635 WeakPolarHBondContact O-CB 3.4Å; T631-L635 VanDerWaalsContact O-CG 3.24Å; T631-L635 WeakPolarHBondContact O-CG 3.41Å; T631-L635 PolarHBondContact O-N 3.45Å
632	K	96.9	Very high	95.4	Very high	79 Å²	79	62.2 Å²	62.2	34%	0.343	33%	0.332	S	S	.	.	H	α-helix	trans	-57.1	-41.7	176.6	-75.5	162	164.4	165.9	0	112.4	L575 D626 S628 R629 R636	L575-K632 HydrophobicContact CD1-CB 4.41Å; L575-K632 HydrophobicContact CD2-CB 3.89Å; L575-K632 HydrophobicContact CD2-CD 3.91Å; L575-K632 HydrophobicContact CD2-CG 4.32Å; D626-K632 IonicContact OD1-NZ 2.69Å; D626-K632 PolarHBondContact OD1-NZ 2.65Å; D626-K632 WeakPolarHBondContact OD2-CD 3.47Å; D626-K632 IonicContact OD2-NZ 3.32Å; D626-K632 PolarHBondContact OD2-NZ 2.91Å; S628-K632 WeakPolarHBondContact O-CG 3.4Å; S628-K632 PolarHBondContact O-N 3.08Å; S628-K632 WeakPolarHBondContact OG-CD 3.27Å; S628-K632 WeakPolarHBondContact OG-CE 3.26Å; S628-K632 PolarHBondContact OG-NZ 3.38Å; R629-K632 WeakPolarHBondContact O-CB 3.38Å; R629-K632 PolarHBondContact O-N 2.99Å; K632-R636 PolarHBondContact O-NE 3.45Å
633	L	97.5	Very high	95.6	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-49.5	177.6	-70.1	171	0	0	0	111.7	L575 L577 E581 L585 L615 R629 F630 T631 L635 R636	L575-L633 HydrophobicContact CD1-CD2 4.24Å; L577-L633 HydrophobicContact CD1-CD2 3.44Å; L577-L633 VanDerWaalsContact CD1-CD2 3.44Å; E581-L633 HydrophobicContact CB-CD1 4.28Å; E581-L633 HydrophobicContact CG-CD1 4.2Å; L585-L633 HydrophobicContact CD1-CD2 4.34Å; L585-L633 HydrophobicContact CD2-CB 4.49Å; L615-L633 HydrophobicContact CD1-CD1 4.14Å; R629-L633 HydrophobicContact CG-CD1 4.04Å; R629-L633 HydrophobicContact CG-CG 4.36Å; R629-L633 WeakPolarHBondContact O-CB 3.5Å; R629-L633 VanDerWaalsContact O-CG 3.28Å; R629-L633 WeakPolarHBondContact O-CG 3.49Å; R629-L633 PolarHBondContact O-N 3.21Å; F630-L633 PolarHBondContact O-N 3Å; T631-L633 VanDerWaalsContact C-N 3.3Å; T631-L633 PolarHBondContact O-N 2.94Å; L633-L635 VanDerWaalsContact C-N 3.27Å; L633-L635 PolarHBondContact O-N 3.13Å; L633-R636 VanDerWaalsContact O-CB 3.29Å; L633-R636 WeakPolarHBondContact O-CB 3.44Å; L633-R636 WeakPolarHBondContact O-CG 3.24Å; L633-R636 PolarHBondContact O-N 3.06Å
634	L	97.6	Very high	95.9	Very high	39 Å²	39	56.2 Å²	56.2	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-35	176.7	-68.5	-176.7	0	0	0	112.5	L585 I588 Y612 L615 F630 T631 R636 L637	L585-L634 HydrophobicContact CD2-CD2 4.39Å; I588-L634 HydrophobicContact CD1-CD2 4.1Å; Y612-L634 HydrophobicContact CD1-CD1 4.23Å; Y612-L634 HydrophobicContact CD1-CD2 4.01Å; Y612-L634 HydrophobicContact CE1-CD1 4.32Å; Y612-L634 HydrophobicContact CE1-CD2 3.82Å; L615-L634 HydrophobicContact CD2-CD2 3.99Å; L615-L634 HydrophobicContact CD2-CG 4.41Å; F630-L634 HydrophobicContact CD1-CD1 4.44Å; F630-L634 HydrophobicContact CD2-CD1 4.49Å; F630-L634 HydrophobicContact CE1-CD1 3.8Å; F630-L634 HydrophobicContact CE2-CD1 3.85Å; F630-L634 HydrophobicContact CE2-CG 4.4Å; F630-L634 HydrophobicContact CZ-CD1 3.48Å; F630-L634 VanDerWaalsContact CZ-CD1 3.48Å; F630-L634 HydrophobicContact CZ-CG 4.47Å; F630-L634 PolarHBondContact O-N 3.18Å; F630-L634 VanDerWaalsContact O-N 3.1Å; T631-L634 PolarHBondContact O-N 3.2Å; L634-R636 PolarHBondContact O-N 2.6Å; L634-R636 VanDerWaalsContact O-N 3.09Å; L634-L637 HydrophobicContact CD2-CD1 4.1Å; L634-L637 WeakPolarHBondContact O-CB 3.5Å; L634-L637 PolarHBondContact O-N 2.8Å
635	L	97.5	Very high	96.1	Very high	97 Å²	97	55 Å²	55	51%	0.508	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-1.2	173.6	-72.3	172.9	0	0	0	114.3	T631 L633	T631-L635 HydrophobicContact CG2-CD1 4.01Å; T631-L635 HydrophobicContact CG2-CG 4.4Å; T631-L635 WeakPolarHBondContact O-CB 3.4Å; T631-L635 VanDerWaalsContact O-CG 3.24Å; T631-L635 WeakPolarHBondContact O-CG 3.41Å; T631-L635 PolarHBondContact O-N 3.45Å; L633-L635 VanDerWaalsContact C-N 3.27Å; L633-L635 PolarHBondContact O-N 3.13Å
636	R	97	Very high	96.1	Very high	51 Å²	51	49.7 Å²	49.7	19%	0.192	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-21.6	167.7	-55.7	-58.9	85.4	-139.8	-0.8	112.9	E567 F572 L575 K632 L633 L634 P639 L640	E567-R636 PolarHBondContact O-NH1 3.28Å; F572-R636 HydrophobicContact CD1-CG 4.34Å; F572-R636 HydrophobicContact CE1-CB 3.94Å; F572-R636 HydrophobicContact CE1-CG 3.91Å; L575-R636 HydrophobicContact CD1-CG 4.19Å; K632-R636 PolarHBondContact O-NE 3.45Å; L633-R636 VanDerWaalsContact O-CB 3.29Å; L633-R636 WeakPolarHBondContact O-CB 3.44Å; L633-R636 WeakPolarHBondContact O-CG 3.24Å; L633-R636 PolarHBondContact O-N 3.06Å; L634-R636 PolarHBondContact O-N 2.6Å; L634-R636 VanDerWaalsContact O-N 3.09Å; R636-P639 WeakPolarHBondContact O-CD 3.48Å; R636-L640 WeakPolarHBondContact O-CB 3.28Å; R636-L640 PolarHBondContact O-N 3.26Å
637	L	97.6	Very high	96.1	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-41	-176.7	-59.2	176.2	0	0	0	113.8	L585 I588 I589 L634 L640 R641	L585-L637 HydrophobicContact CD2-CD1 4.45Å; L585-L637 HydrophobicContact CD2-CD2 4.17Å; L585-L637 HydrophobicContact CD2-CG 4.35Å; I588-L637 HydrophobicContact CG2-CD1 3.87Å; I589-L637 HydrophobicContact CD1-CD2 3.81Å; I589-L637 HydrophobicContact CG1-CD2 3.78Å; L634-L637 HydrophobicContact CD2-CD1 4.1Å; L634-L637 WeakPolarHBondContact O-CB 3.5Å; L634-L637 PolarHBondContact O-N 2.8Å; L637-L640 PolarHBondContact O-N 3.34Å; L637-R641 WeakPolarHBondContact O-CB 3.23Å; L637-R641 PolarHBondContact O-N 3.09Å
638	P	97.5	Very high	95.9	Very high	79 Å²	79	45.8 Å²	45.8	51%	0.513	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-44.3	-179.2	-18.5	30.9	0	0	0	114.6	L640 R641 S642	P638-L640 VanDerWaalsContact C-N 3.3Å; P638-L640 PolarHBondContact O-N 3.4Å; P638-R641 PolarHBondContact O-N 2.87Å; P638-S642 PolarHBondContact O-N 2.85Å
639	P	97.5	Very high	95.5	Very high	26 Å²	26	48.9 Å²	48.9	17%	0.169	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-42.3	169.5	-27	36.5	0	0	0	112.4	E567 L568 R636 R641 S642 I643	E567-P639 HydrophobicContact CB-CB 4.27Å; L568-P639 HydrophobicContact CD2-CB 4.19Å; R636-P639 WeakPolarHBondContact O-CD 3.48Å; P639-R641 PolarHBondContact O-N 2.68Å; P639-S642 WeakPolarHBondContact O-CB 3.37Å; P639-S642 PolarHBondContact O-N 3.48Å; P639-I643 VanDerWaalsContact O-CG1 3.31Å; P639-I643 WeakPolarHBondContact O-CG1 3.42Å; P639-I643 PolarHBondContact O-N 2.77Å
640	L	98	Very high	94.9	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-43.1	-179	-165.3	145.2	0	0	0	112	E522 L525 I526 L568 F572 I589 R636 L637 P638 I643 A644	E522-L640 HydrophobicContact CB-CD2 3.56Å; E522-L640 HydrophobicContact CG-CD2 3.79Å; L525-L640 HydrophobicContact CD2-CD2 4.46Å; L525-L640 HydrophobicContact CD2-CG 4.11Å; L525-L640 HydrophobicContact CG-CG 4.39Å; I526-L640 HydrophobicContact CB-CD1 3.66Å; I526-L640 HydrophobicContact CD1-CD1 4.12Å; I526-L640 HydrophobicContact CG1-CD1 3.72Å; L568-L640 HydrophobicContact CD1-CB 4.35Å; L568-L640 HydrophobicContact CD1-CD1 4.13Å; L568-L640 HydrophobicContact CD1-CG 4.07Å; L568-L640 HydrophobicContact CD2-CB 3.86Å; L568-L640 HydrophobicContact CD2-CD1 4.27Å; L568-L640 HydrophobicContact CD2-CG 4.35Å; F572-L640 HydrophobicContact CZ-CD1 4.28Å; I589-L640 HydrophobicContact CD1-CD2 4.33Å; R636-L640 WeakPolarHBondContact O-CB 3.28Å; R636-L640 PolarHBondContact O-N 3.26Å; L637-L640 PolarHBondContact O-N 3.34Å; P638-L640 VanDerWaalsContact C-N 3.3Å; P638-L640 PolarHBondContact O-N 3.4Å; L640-I643 PolarHBondContact O-N 3.27Å; L640-A644 VanDerWaalsContact O-CB 3.23Å; L640-A644 WeakPolarHBondContact O-CB 3.34Å; L640-A644 PolarHBondContact O-N 3.41Å
641	R	97.3	Very high	94	Very high	102 Å²	102	49.5 Å²	49.5	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-43.6	172.3	179.1	63.3	66.6	122.2	-9.2	112	E522 L637 P638 P639 S645	E522-R641 IonicContact OE1-CZ 3.61Å; E522-R641 IonicContact OE1-NE 2.73Å; E522-R641 PolarHBondContact OE1-NE 3.25Å; E522-R641 VanDerWaalsContact OE1-NE 3.14Å; E522-R641 IonicContact OE1-NH2 2.74Å; E522-R641 PolarHBondContact OE1-NH2 2.57Å; E522-R641 IonicContact OE2-CZ 3.4Å; E522-R641 IonicContact OE2-NE 2.68Å; E522-R641 PolarHBondContact OE2-NE 2.85Å; E522-R641 IonicContact OE2-NH2 3.63Å; E522-R641 PolarHBondContact OE2-NH2 3.5Å; L637-R641 WeakPolarHBondContact O-CB 3.23Å; L637-R641 PolarHBondContact O-N 3.09Å; P638-R641 PolarHBondContact O-N 2.87Å; P639-R641 PolarHBondContact O-N 2.68Å; R641-S645 PolarHBondContact O-N 2.89Å; R641-S645 PolarHBondContact O-OG 2.76Å
642	S	97.5	Very high	93	Very high	57 Å²	57	48.4 Å²	48.4	40%	0.399	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-47.4	176.8	172.6	0	0	0	0	112	R563 P638 P639 K646	R563-S642 PolarHBondContact NH2-OG 3.42Å; P638-S642 PolarHBondContact O-N 2.85Å; P639-S642 WeakPolarHBondContact O-CB 3.37Å; P639-S642 PolarHBondContact O-N 3.48Å; S642-K646 PolarHBondContact O-N 3.4Å; S642-K646 VanDerWaalsContact O-N 3.15Å
643	I	96.9	Very high	91.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-71	-41.5	-178.4	-65	165.6	0	0	0	110.6	L525 L560 R563 I564 E567 L568 P639 L640 S645 K646 C647	L525-I643 HydrophobicContact CD1-CG2 4.42Å; L525-I643 HydrophobicContact CD2-CB 3.95Å; L525-I643 HydrophobicContact CD2-CG2 3.7Å; L560-I643 HydrophobicContact CD1-CG2 4.31Å; R563-I643 HydrophobicContact CB-CD1 4.41Å; I564-I643 HydrophobicContact CD1-CG2 4.31Å; I564-I643 HydrophobicContact CG1-CG2 3.54Å; E567-I643 HydrophobicContact CB-CD1 3.86Å; E567-I643 HydrophobicContact CG-CD1 4.38Å; L568-I643 HydrophobicContact CD1-CD1 4.05Å; L568-I643 HydrophobicContact CD2-CD1 4.49Å; L568-I643 HydrophobicContact CG-CD1 3.97Å; P639-I643 VanDerWaalsContact O-CG1 3.31Å; P639-I643 WeakPolarHBondContact O-CG1 3.42Å; P639-I643 PolarHBondContact O-N 2.77Å; L640-I643 PolarHBondContact O-N 3.27Å; I643-S645 PolarHBondContact O-N 2.87Å; I643-K646 CarbonylContact O-C 3.5Å; I643-K646 WeakPolarHBondContact O-CA 3.26Å; I643-K646 PolarHBondContact O-N 3.39Å; I643-C647 PolarHBondContact O-N 3.47Å; I643-C647 PolarHBondContact O-SG 3.09Å
644	A	95.8	Very high	90.2	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-43.7	176.1	0	0	0	0	0	112.2	P521 E522 L525 L640 K646 C647 L648	P521-A644 HydrophobicContact CB-CB 4.34Å; E522-A644 HydrophobicContact CG-CB 3.82Å; L525-A644 HydrophobicContact CD2-CB 3.95Å; L640-A644 VanDerWaalsContact O-CB 3.23Å; L640-A644 WeakPolarHBondContact O-CB 3.34Å; L640-A644 PolarHBondContact O-N 3.41Å; A644-K646 VanDerWaalsContact C-N 3.31Å; A644-K646 PolarHBondContact O-N 3.02Å; A644-C647 WeakPolarHBondContact O-CB 3.42Å; A644-C647 PolarHBondContact O-N 3.02Å; A644-L648 WeakPolarHBondContact O-CG 3.41Å; A644-L648 PolarHBondContact O-N 2.87Å; A644-L648 VanDerWaalsContact O-N 3.11Å
645	S	93	Very high	88.2	Confident	56 Å²	56	50.2 Å²	50.2	39%	0.392	26%	0.26	S	S	.	.	H	α-helix	trans	-59.1	-41.8	171.7	-66.3	0	0	0	0	111.9	R641 I643 L648 E649	R641-S645 PolarHBondContact O-N 2.89Å; R641-S645 PolarHBondContact O-OG 2.76Å; I643-S645 PolarHBondContact O-N 2.87Å; S645-L648 WeakPolarHBondContact O-CB 3.5Å; S645-L648 PolarHBondContact O-N 3.27Å; S645-L648 VanDerWaalsContact O-N 3.16Å; S645-E649 PolarHBondContact O-N 3.48Å
646	K	92.3	Very high	86.2	Confident	73 Å²	73	52.2 Å²	52.2	32%	0.317	27%	0.271	S	S	.	.	H	α-helix	trans	-67.5	-37.8	178.4	-168	60	-176	178.2	0	112.4	L560 S642 I643 A644 L648 E649 H650	L560-K646 HydrophobicContact CD1-CB 4.16Å; L560-K646 HydrophobicContact CD1-CG 3.98Å; S642-K646 PolarHBondContact O-N 3.4Å; S642-K646 VanDerWaalsContact O-N 3.15Å; I643-K646 CarbonylContact O-C 3.5Å; I643-K646 WeakPolarHBondContact O-CA 3.26Å; I643-K646 PolarHBondContact O-N 3.39Å; A644-K646 VanDerWaalsContact C-N 3.31Å; A644-K646 PolarHBondContact O-N 3.02Å; K646-L648 VanDerWaalsContact C-N 3.26Å; K646-L648 PolarHBondContact O-N 2.83Å; K646-E649 HydrophobicContact CD-CB 4.36Å; K646-E649 VanDerWaalsContact CD-OE2 3.24Å; K646-E649 WeakPolarHBondContact CD-OE2 3.32Å; K646-E649 WeakPolarHBondContact CE-OE2 3.49Å; K646-E649 IonicContact NZ-OE2 2.68Å; K646-E649 PolarHBondContact NZ-OE2 3.46Å; K646-E649 WeakPolarHBondContact O-CB 3.46Å; K646-E649 PolarHBondContact O-N 3.47Å; K646-H650 WeakPolarHBondContact CE-NE2 3.41Å; K646-H650 PolarHBondContact O-CD2 2.97Å; K646-H650 PolarHBondContact O-N 3.32Å; K646-H650 VanDerWaalsContact O-N 3.08Å
647	C	91.7	Very high	84.3	Confident	41 Å²	41	53.4 Å²	53.4	28%	0.277	29%	0.291	S	S	.	.	H	α-helix	trans	-57.2	-39.5	170.8	-66.1	0	0	0	0	112	I643 A644 H650 L651	I643-C647 PolarHBondContact O-N 3.47Å; I643-C647 PolarHBondContact O-SG 3.09Å; A644-C647 WeakPolarHBondContact O-CB 3.42Å; A644-C647 PolarHBondContact O-N 3.02Å; C647-H650 PolarHBondContact O-N 3.49Å; C647-L651 WeakPolarHBondContact O-CB 3.15Å; C647-L651 PolarHBondContact O-N 2.9Å
648	L	88.6	Confident	82.4	Confident	44 Å²	44	53.5 Å²	53.5	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-68.5	-39.8	175.6	-66.9	176.5	0	0	0	112.8	W520 P521 A644 S645 K646 H650 L651 V652 V670	W520-L648 HydrophobicContact CH2-CD2 3.97Å; W520-L648 HydrophobicContact CZ2-CD2 4.02Å; P521-L648 HydrophobicContact CB-CD1 4.26Å; P521-L648 HydrophobicContact CB-CD2 4.26Å; P521-L648 HydrophobicContact CB-CG 4.29Å; P521-L648 HydrophobicContact CG-CD1 3.93Å; P521-L648 HydrophobicContact CG-CD2 4.12Å; P521-L648 HydrophobicContact CG-CG 4.34Å; A644-L648 WeakPolarHBondContact O-CG 3.41Å; A644-L648 PolarHBondContact O-N 2.87Å; A644-L648 VanDerWaalsContact O-N 3.11Å; S645-L648 WeakPolarHBondContact O-CB 3.5Å; S645-L648 PolarHBondContact O-N 3.27Å; S645-L648 VanDerWaalsContact O-N 3.16Å; K646-L648 VanDerWaalsContact C-N 3.26Å; K646-L648 PolarHBondContact O-N 2.83Å; L648-H650 VanDerWaalsContact C-N 3.32Å; L648-H650 PolarHBondContact O-N 2.94Å; L648-L651 HydrophobicContact CD2-CD2 4.4Å; L648-L651 PolarHBondContact O-N 3.24Å; L648-V652 WeakPolarHBondContact O-CG2 3.31Å; L648-V652 PolarHBondContact O-N 3.36Å; L648-V670 HydrophobicContact CD2-CG2 3.86Å
649	E	86.5	Confident	80.7	Confident	111 Å²	111	59.2 Å²	59.2	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-57.5	-45.5	173	-70.4	172.8	-143.2	0	0	111.5	S645 K646 V652 F653	S645-E649 PolarHBondContact O-N 3.48Å; K646-E649 HydrophobicContact CD-CB 4.36Å; K646-E649 VanDerWaalsContact CD-OE2 3.24Å; K646-E649 WeakPolarHBondContact CD-OE2 3.32Å; K646-E649 WeakPolarHBondContact CE-OE2 3.49Å; K646-E649 IonicContact NZ-OE2 2.68Å; K646-E649 PolarHBondContact NZ-OE2 3.46Å; K646-E649 WeakPolarHBondContact O-CB 3.46Å; K646-E649 PolarHBondContact O-N 3.47Å; E649-V652 PolarHBondContact O-N 3.07Å; E649-F653 PolarHBondContact O-N 2.96Å
650	H	82	Confident	79.4	Confident	58 Å²	58	59.1 Å²	59.1	27%	0.269	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-44.3	175.4	-74.9	-77.2	0	0	0	111.6	K646 C647 L648 V652 F653 V654	K646-H650 WeakPolarHBondContact CE-NE2 3.41Å; K646-H650 PolarHBondContact O-CD2 2.97Å; K646-H650 PolarHBondContact O-N 3.32Å; K646-H650 VanDerWaalsContact O-N 3.08Å; C647-H650 PolarHBondContact O-N 3.49Å; L648-H650 VanDerWaalsContact C-N 3.32Å; L648-H650 PolarHBondContact O-N 2.94Å; H650-V652 VanDerWaalsContact C-N 3.34Å; H650-V652 PolarHBondContact O-N 2.83Å; H650-F653 WeakPolarHBondContact O-CB 3.36Å; H650-F653 PolarHBondContact O-N 3.06Å; H650-F653 VanDerWaalsContact O-N 3.13Å; H650-V654 WeakPolarHBondContact O-CG2 3.32Å; H650-V654 PolarHBondContact O-N 3.34Å
651	L	78.9	Confident	78.3	Confident	15 Å²	15	63 Å²	63	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-41.9	177.3	-178.4	63.6	0	0	0	112.3	W520 C647 L648 V654 K655 L666 I667 V670	W520-L651 HydrophobicContact CH2-CD2 4.36Å; C647-L651 WeakPolarHBondContact O-CB 3.15Å; C647-L651 PolarHBondContact O-N 2.9Å; L648-L651 HydrophobicContact CD2-CD2 4.4Å; L648-L651 PolarHBondContact O-N 3.24Å; L651-V654 WeakPolarHBondContact O-CB 3.28Å; L651-V654 PolarHBondContact O-N 3.36Å; L651-K655 PolarHBondContact O-N 3.31Å; L651-L666 HydrophobicContact CD1-CD1 4.27Å; L651-L666 HydrophobicContact CD2-CB 4.19Å; L651-I667 HydrophobicContact CD1-CD1 4.47Å; L651-I667 HydrophobicContact CD1-CG1 4.36Å; L651-I667 HydrophobicContact CG-CD1 4.48Å; L651-I667 HydrophobicContact CG-CG1 3.99Å; L651-I667 WeakPolarHBondContact O-CD1 3.35Å; L651-V670 HydrophobicContact CD2-CG2 4.25Å
652	V	74.9	Confident	77.2	Confident	53 Å²	53	58.5 Å²	58.5	32%	0.321	32%	0.324	S	S	.	.	H	α-helix	trans	-67.2	-36.4	175.2	172.4	0	0	0	0	111.5	L648 E649 H650 V654 K655 V670	L648-V652 WeakPolarHBondContact O-CG2 3.31Å; L648-V652 PolarHBondContact O-N 3.36Å; E649-V652 PolarHBondContact O-N 3.07Å; H650-V652 VanDerWaalsContact C-N 3.34Å; H650-V652 PolarHBondContact O-N 2.83Å; V652-V654 VanDerWaalsContact C-N 3.3Å; V652-V654 PolarHBondContact O-N 2.89Å; V652-K655 WeakPolarHBondContact O-CB 3.26Å; V652-K655 PolarHBondContact O-N 3.01Å; V652-V670 HydrophobicContact CG2-CG1 4.36Å
653	F	71.2	Confident	76	Confident	70 Å²	70	55.9 Å²	55.9	31%	0.307	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-34.4	172.8	-174.4	-97.9	0	0	0	112.3	I2 F6 E649 H650 K655 L656	I2-F653 HydrophobicContact CG2-CZ 3.91Å; F6-F653 HydrophobicContact CD2-CZ 4.46Å; F6-F653 HydrophobicContact CE2-CE1 4.43Å; F6-F653 AromaticContact CE2-CE2 3.91Å; F6-F653 HydrophobicContact CE2-CE2 3.91Å; F6-F653 AromaticContact CE2-CZ 3.63Å; F6-F653 HydrophobicContact CE2-CZ 3.63Å; F6-F653 HydrophobicContact CZ-CE2 4.09Å; F6-F653 HydrophobicContact CZ-CZ 4.24Å; E649-F653 PolarHBondContact O-N 2.96Å; H650-F653 WeakPolarHBondContact O-CB 3.36Å; H650-F653 PolarHBondContact O-N 3.06Å; H650-F653 VanDerWaalsContact O-N 3.13Å; F653-K655 VanDerWaalsContact C-N 3.26Å; F653-K655 PolarHBondContact O-N 2.99Å; F653-L656 HydrophobicContact CD2-CD1 4.44Å; F653-L656 WeakPolarHBondContact O-CB 3.44Å; F653-L656 PolarHBondContact O-N 3.35Å
654	V	65.5	Low	74.7	Confident	12 Å²	12	58.1 Å²	58.1	7%	0.073	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-29.7	175.3	174.2	0	0	0	0	112.2	L478 H650 L651 V652 L656 A657 A658	L478-V654 HydrophobicContact CD1-CG1 4.41Å; L478-V654 HydrophobicContact CD1-CG2 3.45Å; L478-V654 VanDerWaalsContact CD1-CG2 3.45Å; L478-V654 HydrophobicContact CD2-CG2 4.04Å; L478-V654 HydrophobicContact CG-CG2 4.31Å; H650-V654 WeakPolarHBondContact O-CG2 3.32Å; H650-V654 PolarHBondContact O-N 3.34Å; L651-V654 WeakPolarHBondContact O-CB 3.28Å; L651-V654 PolarHBondContact O-N 3.36Å; V652-V654 VanDerWaalsContact C-N 3.3Å; V652-V654 PolarHBondContact O-N 2.89Å; V654-L656 PolarHBondContact O-N 3Å; V654-L656 VanDerWaalsContact O-N 3.12Å; V654-A657 PolarHBondContact O-N 3.38Å; V654-A658 HydrophobicContact CG1-CB 3.97Å; V654-A658 PolarHBondContact O-N 3.35Å
655	K	55.6	Low	73.8	Confident	75 Å²	75	61.5 Å²	61.5	33%	0.326	33%	0.332	S	S	.	.	H	α-helix	trans	-51.1	-35.6	169.3	-154.3	-167.6	-154.6	174.3	0	112.8	L651 V652 F653 A657 I667 E671	L651-K655 PolarHBondContact O-N 3.31Å; V652-K655 WeakPolarHBondContact O-CB 3.26Å; V652-K655 PolarHBondContact O-N 3.01Å; F653-K655 VanDerWaalsContact C-N 3.26Å; F653-K655 PolarHBondContact O-N 2.99Å; K655-A657 VanDerWaalsContact C-N 3.29Å; K655-I667 HydrophobicContact CB-CD1 3.6Å; K655-I667 HydrophobicContact CB-CG2 4.46Å; K655-I667 HydrophobicContact CD-CG2 3.69Å; K655-I667 VanDerWaalsContact CE-CG2 3.49Å; K655-I667 HydrophobicContact CG-CD1 3.85Å; K655-I667 HydrophobicContact CG-CG2 4.08Å; K655-E671 IonicContact NZ-OE1 3.5Å; K655-E671 PolarHBondContact NZ-OE1 3.24Å; K655-E671 IonicContact NZ-OE2 2.76Å; K655-E671 PolarHBondContact NZ-OE2 3.15Å
656	L	54.6	Low	72.9	Confident	139 Å²	139	58.9 Å²	58.9	73%	0.728	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.1	-173.4	-51.3	177.2	0	0	0	112.5	F653 V654	F653-L656 HydrophobicContact CD2-CD1 4.44Å; F653-L656 WeakPolarHBondContact O-CB 3.44Å; F653-L656 PolarHBondContact O-N 3.35Å; V654-L656 PolarHBondContact O-N 3Å; V654-L656 VanDerWaalsContact O-N 3.12Å
657	A	58	Low	71.9	Confident	75 Å²	75	55.4 Å²	55.4	62%	0.62	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	-20.9	-173.3	0	0	0	0	0	114.4	V654 K655	V654-A657 PolarHBondContact O-N 3.38Å; K655-A657 VanDerWaalsContact C-N 3.29Å
658	A	57	Low	71	Confident	32 Å²	32	56.1 Å²	56.1	26%	0.264	30%	0.3	S	S	.	.			trans	-129.7	124	-176	0	0	0	0	0	112.2	V654 D660	V654-A658 HydrophobicContact CG1-CB 3.97Å; V654-A658 PolarHBondContact O-N 3.35Å; A658-D660 HydrophobicContact CB-CB 4.4Å; A658-D660 PolarHBondContact O-N 3.49Å; A658-D660 VanDerWaalsContact O-N 3.15Å
659	E	62.4	Low	70.4	Confident	199 Å²	199	54 Å²	54	93%	0.93	29%	0.289	S	S	*	.			trans	-77.9	17.4	171.6	-58.4	-174.9	155.2	0	0	112.7
660	D	70	Confident	69.7	Low	25 Å²	25	50.7 Å²	50.7	13%	0.134	28%	0.276	C	S	.	.			trans	-64.7	123.4	-178.6	160.9	44.5	0	0	0	111.4	A658 T662 S663 C664	A658-D660 HydrophobicContact CB-CB 4.4Å; A658-D660 PolarHBondContact O-N 3.49Å; A658-D660 VanDerWaalsContact O-N 3.15Å; D660-T662 PolarHBondContact O-N 3.2Å; D660-T662 WeakPolarHBondContact OD1-CB 3.41Å; D660-T662 PolarHBondContact OD1-N 3.47Å; D660-T662 WeakPolarHBondContact OD2-CB 3.36Å; D660-S663 PolarHBondContact O-N 3Å; D660-S663 VanDerWaalsContact OD2-CB 3.26Å; D660-S663 WeakPolarHBondContact OD2-CB 3.36Å; D660-S663 PolarHBondContact OD2-N 3.27Å; D660-S663 PolarHBondContact OD2-OG 2.81Å; D660-C664 PolarHBondContact O-N 3.21Å; D660-C664 PolarHBondContact O-SG 2.96Å
661	P	74.6	Confident	69.2	Low	81 Å²	81	51.7 Å²	51.7	53%	0.526	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-26.7	-179.6	27.9	-36.5	0	0	0	112.9	R665	P661-R665 WeakPolarHBondContact O-CG 3.24Å; P661-R665 PolarHBondContact O-N 3.38Å; P661-R665 PolarHBondContact O-NH1 2.8Å
662	T	74.2	Confident	68.7	Low	9 Å²	9	57.1 Å²	57.1	6%	0.055	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-49	176.2	-63.3	0	0	0	0	111.2	C482 Q483 E486 D660 C664 R665 L666	C482-T662 HydrophobicContact CB-CG2 3.91Å; Q483-T662 HydrophobicContact CG-CG2 4.03Å; E486-T662 HydrophobicContact CB-CG2 4.22Å; E486-T662 WeakPolarHBondContact OE2-CG2 3.37Å; D660-T662 PolarHBondContact O-N 3.2Å; D660-T662 WeakPolarHBondContact OD1-CB 3.41Å; D660-T662 PolarHBondContact OD1-N 3.47Å; D660-T662 WeakPolarHBondContact OD2-CB 3.36Å; T662-C664 VanDerWaalsContact C-N 3.33Å; T662-C664 PolarHBondContact O-N 2.96Å; T662-R665 PolarHBondContact O-N 3.15Å; T662-R665 VanDerWaalsContact O-N 3.17Å; T662-R665 PolarHBondContact OG1-NH2 3.37Å; T662-L666 PolarHBondContact O-N 3.46Å
663	S	71.7	Confident	68.2	Low	2 Å²	2	54.8 Å²	54.8	1%	0.014	29%	0.292	C	S	.	.	H	α-helix	trans	-55.2	-47.7	172.5	-62.1	0	0	0	0	111	D660 R665 L666 I667	D660-S663 PolarHBondContact O-N 3Å; D660-S663 VanDerWaalsContact OD2-CB 3.26Å; D660-S663 WeakPolarHBondContact OD2-CB 3.36Å; D660-S663 PolarHBondContact OD2-N 3.27Å; D660-S663 PolarHBondContact OD2-OG 2.81Å; S663-R665 PolarHBondContact O-N 3.32Å; S663-L666 PolarHBondContact O-N 2.77Å; S663-I667 WeakPolarHBondContact O-CB 3.44Å; S663-I667 WeakPolarHBondContact O-CD1 3.43Å; S663-I667 WeakPolarHBondContact O-CG1 3.47Å; S663-I667 PolarHBondContact O-N 2.84Å
664	C	71.3	Confident	67.8	Low	47 Å²	47	54.9 Å²	54.9	32%	0.318	30%	0.299	S	S	.	.	H	α-helix	trans	-56.8	-44	175.1	-73.6	0	0	0	0	113.2	D660 T662 I667 N668	D660-C664 PolarHBondContact O-N 3.21Å; D660-C664 PolarHBondContact O-SG 2.96Å; T662-C664 VanDerWaalsContact C-N 3.33Å; T662-C664 PolarHBondContact O-N 2.96Å; C664-I667 PolarHBondContact O-N 2.84Å; C664-N668 WeakPolarHBondContact O-CB 3.24Å; C664-N668 PolarHBondContact O-N 2.69Å; C664-N668 PolarHBondContact O-ND2 3.32Å
665	R	75.1	Confident	67.8	Low	75 Å²	75	57.2 Å²	57.2	28%	0.283	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-42.9	175.8	-72.5	-171.8	-56.3	-85.4	-0.5	112.3	E486 P661 T662 S663 I667 N668 L669 P676	E486-R665 VanDerWaalsContact CD-NH2 3.27Å; E486-R665 IonicContact OE1-CZ 3.93Å; E486-R665 VanDerWaalsContact OE1-CZ 3.24Å; E486-R665 IonicContact OE1-NE 3.48Å; E486-R665 PolarHBondContact OE1-NE 2.8Å; E486-R665 IonicContact OE1-NH2 3.55Å; E486-R665 PolarHBondContact OE1-NH2 2.84Å; E486-R665 IonicContact OE2-CZ 3.83Å; E486-R665 IonicContact OE2-NE 2.73Å; E486-R665 IonicContact OE2-NH2 3.61Å; E486-R665 PolarHBondContact OE2-NH2 3.08Å; P661-R665 WeakPolarHBondContact O-CG 3.24Å; P661-R665 PolarHBondContact O-N 3.38Å; P661-R665 PolarHBondContact O-NH1 2.8Å; T662-R665 PolarHBondContact O-N 3.15Å; T662-R665 VanDerWaalsContact O-N 3.17Å; T662-R665 PolarHBondContact OG1-NH2 3.37Å; S663-R665 PolarHBondContact O-N 3.32Å; R665-I667 VanDerWaalsContact C-N 3.33Å; R665-I667 PolarHBondContact O-N 3.24Å; R665-N668 PolarHBondContact O-N 2.86Å; R665-L669 PolarHBondContact O-N 3.41Å; R665-L669 VanDerWaalsContact O-N 3.11Å; R665-P676 HydrophobicContact CB-CB 3.92Å; R665-P676 HydrophobicContact CB-CG 4.17Å
666	L	74.9	Confident	67.9	Low	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-36.2	176.3	-67.2	-177.6	0	0	0	112.9	C482 I485 E486 L489 L651 T662 S663 L669 V670 P676	C482-L666 HydrophobicContact CB-CD1 3.67Å; C482-L666 WeakPolarHBondContact O-CD1 2.89Å; I485-L666 HydrophobicContact CB-CD1 3.88Å; I485-L666 HydrophobicContact CB-CD2 4.26Å; I485-L666 HydrophobicContact CD1-CD1 4.19Å; I485-L666 HydrophobicContact CG2-CD1 3.93Å; I485-L666 HydrophobicContact CG2-CD2 3.63Å; I485-L666 HydrophobicContact CG2-CG 4.44Å; E486-L666 HydrophobicContact CB-CD2 4.39Å; L489-L666 HydrophobicContact CD1-CD2 3.58Å; L651-L666 HydrophobicContact CD1-CD1 4.27Å; L651-L666 HydrophobicContact CD2-CB 4.19Å; T662-L666 PolarHBondContact O-N 3.46Å; S663-L666 PolarHBondContact O-N 2.77Å; L666-L669 VanDerWaalsContact O-CB 3.32Å; L666-L669 WeakPolarHBondContact O-CB 3.33Å; L666-L669 PolarHBondContact O-N 3.39Å; L666-V670 WeakPolarHBondContact O-CG2 3.16Å; L666-V670 PolarHBondContact O-N 3.14Å; L666-P676 HydrophobicContact CD2-CG 4.03Å
667	I	71.9	Confident	67.8	Low	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-77.1	-31.2	-178.5	-63.6	151.6	0	0	0	110.4	L651 K655 S663 C664 R665 L669 V670 E671	L651-I667 HydrophobicContact CD1-CD1 4.47Å; L651-I667 HydrophobicContact CD1-CG1 4.36Å; L651-I667 HydrophobicContact CG-CD1 4.48Å; L651-I667 HydrophobicContact CG-CG1 3.99Å; L651-I667 WeakPolarHBondContact O-CD1 3.35Å; K655-I667 HydrophobicContact CB-CD1 3.6Å; K655-I667 HydrophobicContact CB-CG2 4.46Å; K655-I667 HydrophobicContact CD-CG2 3.69Å; K655-I667 VanDerWaalsContact CE-CG2 3.49Å; K655-I667 HydrophobicContact CG-CD1 3.85Å; K655-I667 HydrophobicContact CG-CG2 4.08Å; S663-I667 WeakPolarHBondContact O-CB 3.44Å; S663-I667 WeakPolarHBondContact O-CD1 3.43Å; S663-I667 WeakPolarHBondContact O-CG1 3.47Å; S663-I667 PolarHBondContact O-N 2.84Å; C664-I667 PolarHBondContact O-N 2.84Å; R665-I667 VanDerWaalsContact C-N 3.33Å; R665-I667 PolarHBondContact O-N 3.24Å; I667-L669 VanDerWaalsContact C-N 3.27Å; I667-L669 PolarHBondContact O-N 3.04Å; I667-V670 PolarHBondContact O-N 3.44Å; I667-V670 VanDerWaalsContact O-N 3.17Å; I667-E671 HydrophobicContact CG2-CG 4.23Å; I667-E671 VanDerWaalsContact CG2-OE1 3.28Å; I667-E671 WeakPolarHBondContact CG2-OE1 3.21Å; I667-E671 WeakPolarHBondContact O-CB 3.09Å; I667-E671 PolarHBondContact O-N 2.81Å
668	N	73.1	Confident	67.3	Low	57 Å²	57	56.5 Å²	56.5	31%	0.305	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-30.1	166	-69.9	-20.2	0	0	0	112.6	C664 R665 H672 G673 V674	C664-N668 WeakPolarHBondContact O-CB 3.24Å; C664-N668 PolarHBondContact O-N 2.69Å; C664-N668 PolarHBondContact O-ND2 3.32Å; R665-N668 PolarHBondContact O-N 2.86Å; N668-H672 CarbonylContact O-C 3.59Å; N668-H672 WeakPolarHBondContact O-CA 3.08Å; N668-H672 WeakPolarHBondContact O-CB 3.35Å; N668-H672 PolarHBondContact O-N 3.31Å; N668-G673 PolarHBondContact O-N 2.87Å; N668-V674 CarbonylContact C-O 3.55Å; N668-V674 HydrophobicContact CB-CB 4.33Å; N668-V674 PolarHBondContact O-N 3.34Å; N668-V674 VanDerWaalsContact O-N 3.1Å
669	L	74.8	Confident	66.5	Low	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-41	169.3	174.1	63.2	0	0	0	112.1	L489 K517 W520 R665 L666 I667 G673 V674 W675	L489-L669 HydrophobicContact CD1-CD2 3.47Å; L489-L669 VanDerWaalsContact CD1-CD2 3.47Å; L489-L669 HydrophobicContact CD2-CD2 3.71Å; L489-L669 HydrophobicContact CG-CD2 4.26Å; K517-L669 WeakPolarHBondContact CE-O 3.32Å; W520-L669 HydrophobicContact CD2-CD2 4.29Å; W520-L669 HydrophobicContact CZ2-CD2 4.16Å; W520-L669 HydrophobicContact CZ2-CG 4.49Å; R665-L669 PolarHBondContact O-N 3.41Å; R665-L669 VanDerWaalsContact O-N 3.11Å; L666-L669 VanDerWaalsContact O-CB 3.32Å; L666-L669 WeakPolarHBondContact O-CB 3.33Å; L666-L669 PolarHBondContact O-N 3.39Å; I667-L669 VanDerWaalsContact C-N 3.27Å; I667-L669 PolarHBondContact O-N 3.04Å; L669-G673 WeakPolarHBondContact O-CA 3.15Å; L669-G673 PolarHBondContact O-N 3.12Å; L669-G673 VanDerWaalsContact O-N 3.14Å; L669-V674 WeakPolarHBondContact CA-O 3.37Å; L669-V674 WeakPolarHBondContact CB-O 3.46Å; L669-V674 PolarHBondContact N-O 2.95Å; L669-W675 HydrophobicContact CD1-CD2 4.21Å; L669-W675 HydrophobicContact CD1-CG 4.04Å; L669-W675 HydrophobicContact CD1-CZ2 4.39Å
670	V	72.4	Confident	64.9	Low	40 Å²	40	63.9 Å²	63.9	24%	0.242	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-59.2	176.4	173.6	0	0	0	0	110.8	W520 L648 L651 V652 L666 I667	W520-V670 HydrophobicContact CZ2-CG2 3.87Å; L648-V670 HydrophobicContact CD2-CG2 3.86Å; L651-V670 HydrophobicContact CD2-CG2 4.25Å; V652-V670 HydrophobicContact CG2-CG1 4.36Å; L666-V670 WeakPolarHBondContact O-CG2 3.16Å; L666-V670 PolarHBondContact O-N 3.14Å; I667-V670 PolarHBondContact O-N 3.44Å; I667-V670 VanDerWaalsContact O-N 3.17Å
671	E	70.4	Confident	62.8	Low	79 Å²	79	67.5 Å²	67.5	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-71.8	-61.8	-173.5	-66.1	171.6	-172	0	0	110.8	K517 K655 I667	K517-E671 PolarHBondContact NZ-O 2.93Å; K655-E671 IonicContact NZ-OE1 3.5Å; K655-E671 PolarHBondContact NZ-OE1 3.24Å; K655-E671 IonicContact NZ-OE2 2.76Å; K655-E671 PolarHBondContact NZ-OE2 3.15Å; I667-E671 HydrophobicContact CG2-CG 4.23Å; I667-E671 VanDerWaalsContact CG2-OE1 3.28Å; I667-E671 WeakPolarHBondContact CG2-OE1 3.21Å; I667-E671 WeakPolarHBondContact O-CB 3.09Å; I667-E671 PolarHBondContact O-N 2.81Å
672	H	68.4	Low	60.5	Low	129 Å²	129	72.8 Å²	72.8	60%	0.597	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-26.8	-171	-53.9	-44.3	0	0	0	112.8	K517 N668 V674	K517-H672 VanDerWaalsContact NZ-C 3.33Å; K517-H672 PolarHBondContact NZ-O 2.7Å; N668-H672 CarbonylContact O-C 3.59Å; N668-H672 WeakPolarHBondContact O-CA 3.08Å; N668-H672 WeakPolarHBondContact O-CB 3.35Å; N668-H672 PolarHBondContact O-N 3.31Å; H672-V674 HydrophobicContact CB-CG2 3.97Å
673	G	65.1	Low	58.1	Low	5 Å²	5	81.5 Å²	81.5	5%	0.052	40%	0.4	C	S	.	.			trans	88.5	8.9	-171	0	0	0	0	0	113.6	F513 K517 N668 L669 W675	F513-G673 WeakPolarHBondContact CZ-O 3.49Å; K517-G673 VanDerWaalsContact NZ-N 3.16Å; N668-G673 PolarHBondContact O-N 2.87Å; L669-G673 WeakPolarHBondContact O-CA 3.15Å; L669-G673 PolarHBondContact O-N 3.12Å; L669-G673 VanDerWaalsContact O-N 3.14Å; G673-W675 PolarHBondContact O-N 3.02Å
674	V	63.4	Low	56.1	Low	72 Å²	72	88.6 Å²	88.6	44%	0.436	44%	0.436	S	S	.	.			trans	-74.7	117.2	178.2	177.8	0	0	0	0	108.4	N668 L669 H672	N668-V674 CarbonylContact C-O 3.55Å; N668-V674 HydrophobicContact CB-CB 4.33Å; N668-V674 PolarHBondContact O-N 3.34Å; N668-V674 VanDerWaalsContact O-N 3.1Å; L669-V674 WeakPolarHBondContact CA-O 3.37Å; L669-V674 WeakPolarHBondContact CB-O 3.46Å; L669-V674 PolarHBondContact N-O 2.95Å; H672-V674 HydrophobicContact CB-CG2 3.97Å
675	W	65.1	Low	53.8	Low	61 Å²	61	91.1 Å²	91.1	23%	0.231	46%	0.461	C	S	.	.			trans	-71.1	144.2	-179	-84.3	64.6	0	0	0	111.8	L489 V493 F513 I516 L669 G673 I677	L489-W675 HydrophobicContact CB-CE3 4.21Å; L489-W675 HydrophobicContact CB-CH2 4.17Å; L489-W675 HydrophobicContact CB-CZ3 3.56Å; L489-W675 HydrophobicContact CD2-CH2 3.63Å; L489-W675 HydrophobicContact CD2-CZ2 4.31Å; L489-W675 HydrophobicContact CD2-CZ3 3.89Å; L489-W675 HydrophobicContact CG-CH2 4.49Å; L489-W675 HydrophobicContact CG-CZ3 4.28Å; L489-W675 WeakPolarHBondContact O-CZ3 3.11Å; V493-W675 HydrophobicContact CG2-CE3 4.15Å; V493-W675 HydrophobicContact CG2-CH2 3.29Å; V493-W675 HydrophobicContact CG2-CZ2 4.06Å; V493-W675 HydrophobicContact CG2-CZ3 3.3Å; F513-W675 AromaticContact CE2-CD1 3.88Å; F513-W675 AromaticContact CE2-NE1 3.77Å; I516-W675 HydrophobicContact CB-CZ2 4.46Å; I516-W675 HydrophobicContact CG2-CH2 3.75Å; I516-W675 HydrophobicContact CG2-CZ2 3.54Å; L669-W675 HydrophobicContact CD1-CD2 4.21Å; L669-W675 HydrophobicContact CD1-CG 4.04Å; L669-W675 HydrophobicContact CD1-CZ2 4.39Å; G673-W675 PolarHBondContact O-N 3.02Å; W675-I677 PolarHBondContact O-N 2.68Å; W675-I677 VanDerWaalsContact O-N 3.11Å
676	P	57	Low	51.5	Low	16 Å²	16	94.1 Å²	94.1	10%	0.104	49%	0.487	C	S	.	.			trans	-62.1	114.7	171.4	-18.3	30.5	0	0	0	110.3	E486 L489 R665 L666	E486-P676 HydrophobicContact CG-CB 4.01Å; E486-P676 WeakPolarHBondContact OE1-CB 3.34Å; L489-P676 HydrophobicContact CD1-CG 4.01Å; R665-P676 HydrophobicContact CB-CB 3.92Å; R665-P676 HydrophobicContact CB-CG 4.17Å; L666-P676 HydrophobicContact CD2-CG 4.03Å
677	I	54.1	Low	49.3	Very low	124 Å²	124	101.7 Å²	101.7	64%	0.636	53%	0.527	S	S	*	.			trans	-84.6	123.8	172.6	-57.2	177.1	0	0	0	107.5	W675 E679	W675-I677 PolarHBondContact O-N 2.68Å; W675-I677 VanDerWaalsContact O-N 3.11Å; I677-E679 PolarHBondContact O-N 2.81Å; I677-E679 VanDerWaalsContact O-N 3.16Å
678	Q	46.9	Very low	47.3	Very low	134 Å²	134	107.6 Å²	107.6	63%	0.626	57%	0.566	S	S	*	*			trans	-72.5	104	167.9	-73.6	-172.6	-49	0	0	109.5	K680	Q678-K680 PolarHBondContact O-N 3.16Å
679	E	38.8	Very low	45.2	Very low	175 Å²	175	110 Å²	110	82%	0.818	59%	0.586	S	S	*	*			trans	-62.1	127.2	162.9	-65.5	-174.3	155.4	0	0	108.9	I677 S681	I677-E679 PolarHBondContact O-N 2.81Å; I677-E679 VanDerWaalsContact O-N 3.16Å; E679-S681 PolarHBondContact O-N 3.25Å
680	K	30.8	Very low	43.2	Very low	211 Å²	211	118 Å²	118	92%	0.917	63%	0.629	S	S	*	*	S	Bend	trans	-75.7	61.3	-177.9	-71.8	-176.1	173.9	179.6	0	112.2	Q678	Q678-K680 PolarHBondContact O-N 3.16Å
681	S	25.8	Very low	41.3	Very low	100 Å²	100	121.3 Å²	121.3	70%	0.699	65%	0.654	S	S	*	*			trans	-148.6	68.9	-178.1	-68.8	0	0	0	0	114	E679	E679-S681 PolarHBondContact O-N 3.25Å
682	F	26.2	Very low	39.6	Very low	192 Å²	192	121.8 Å²	121.8	84%	0.842	67%	0.672	S	S	*	*			trans	-151.6	105.6	144.7	-137.7	-89.4	0	0	0	110.8	L684	F682-L684 PolarHBondContact O-N 2.78Å
683	E	23.6	Very low	38.1	Very low	193 Å²	193	120.9 Å²	120.9	90%	0.902	68%	0.68	S	S	*	*			trans	-81.1	99	179.6	-64.2	-179.2	134	0	0	110
684	L	28.2	Very low	36.4	Very low	150 Å²	150	126.6 Å²	126.6	79%	0.785	71%	0.714	S	S	*	*			trans	-78.5	124.8	157.6	-124	72.5	0	0	0	108	F682 T686	F682-L684 PolarHBondContact O-N 2.78Å; L684-T686 PolarHBondContact O-N 3.09Å; L684-T686 VanDerWaalsContact O-N 3.13Å
685	A	24.6	Very low	35	Very low	100 Å²	100	131.1 Å²	131.1	83%	0.826	74%	0.736	S	S	*	*			trans	-62.1	111.3	-157.2	0	0	0	0	0	114.8
686	T	27	Very low	33.4	Very low	138 Å²	138	133.2 Å²	133.2	85%	0.847	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-83.9	123.1	170.5	-16.6	0	0	0	0	110.6	L684	L684-T686 PolarHBondContact O-N 3.09Å; L684-T686 VanDerWaalsContact O-N 3.13Å
687	L	28.6	Very low	32.3	Very low	159 Å²	159	139.3 Å²	139.3	83%	0.832	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-80.2	158.5	169.6	-73.8	172.3	0	0	0	111.6
688	P	29.7	Very low	31.2	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-74.4	160	-158.4	-21.2	35.4	0	0	0	116.8
689	S	28.3	Very low	30.2	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.2	158.9	177.7	55.3	0	0	0	0	115
690	D	32.4	Very low	29.8	Very low	168 Å²	168	138.8 Å²	138.8	90%	0.898	82%	0.815	S	S	*	*			trans	-154.2	174	133.7	-110	-30.6	0	0	0	112
691	S	32	Very low	29.7	Very low	110 Å²	110	135 Å²	135	77%	0.769	80%	0.804	S	S	*	*			trans	-127.2	151.4	-155.6	66.3	0	0	0	0	116.4
692	A	35.7	Very low	29.7	Very low	89 Å²	89	135.5 Å²	135.5	74%	0.736	80%	0.803	S	S	*	*			trans	176.4	145.7	135.5	0	0	0	0	0	116.3
693	S	35.8	Very low	29.8	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	80%	0.801	S	S	*	*			trans	42.4	109.7	147.8	59.2	0	0	0	0	123.8
694	T	30.9	Very low	30.2	Very low	125 Å²	125	130.6 Å²	130.6	77%	0.767	79%	0.792	S	S	*	*			trans	-13.3	142.1	143.7	52.2	0	0	0	0	121.6
695	D	33.4	Very low	30.9	Very low	167 Å²	167	128.4 Å²	128.4	89%	0.893	79%	0.787	S	S	*	*				-162.8	175.9	117.9	-112.2	-18	0	0	0	113.1
696	S	32.5	Very low	32	Very low	106 Å²	106	126 Å²	126	74%	0.741	76%	0.762	S	S	*	*			trans	-111.9	139.7	-156.2	64.9	0	0	0	0	118.5
697	V	33.3	Very low	33.2	Very low	143 Å²	143	121 Å²	121	87%	0.867	73%	0.731	S	S	*	*			trans	-143.5	143.2	166.8	-179.3	0	0	0	0	110.1
698	P	30.1	Very low	34.5	Very low	122 Å²	122	119.6 Å²	119.6	79%	0.792	72%	0.721	S	S	*	*			trans	-93.1	164	-167.9	35.4	-35.1	0	0	0	116.1
699	S	27.3	Very low	35.9	Very low	119 Å²	119	115 Å²	115	83%	0.832	69%	0.688	S	S	*	*			trans	-75.4	129.2	-172.9	-44.3	0	0	0	0	115.1
700	Q	28.9	Very low	37.5	Very low	181 Å²	181	113 Å²	113	85%	0.846	67%	0.668	S	S	*	*			trans	-119	128.8	152.7	-70.3	-174	-13.5	0	0	108.5	T702	Q700-T702 PolarHBondContact O-N 2.94Å
701	I	28.7	Very low	39	Very low	132 Å²	132	109 Å²	109	68%	0.677	64%	0.644	S	S	*	*			trans	-92.5	89.4	175.9	-57.8	177.4	0	0	0	107.8
702	T	26.9	Very low	40.3	Very low	111 Å²	111	109 Å²	109	68%	0.681	63%	0.631	S	S	*	*			trans	-68.1	141.3	167.4	-30.4	0	0	0	0	109.1	Q700 V704	Q700-T702 PolarHBondContact O-N 2.94Å; T702-V704 PolarHBondContact O-N 3.38Å
703	M	28.8	Very low	40.9	Very low	163 Å²	163	110.9 Å²	110.9	80%	0.803	63%	0.625	S	S	*	*			trans	-71.2	99	172.3	-71	-171.9	68.6	0	0	109.8
704	V	30.9	Very low	41.1	Very low	119 Å²	119	111.3 Å²	111.3	72%	0.721	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-68.5	132.7	170.6	-170.9	0	0	0	0	108.4	T702	T702-V704 PolarHBondContact O-N 3.38Å
705	P	44.1	Very low	41.3	Very low	103 Å²	103	112.1 Å²	112.1	67%	0.669	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-58	167.2	171.6	-24.7	35.2	0	0	0	112.6
706	T	46.9	Very low	41.1	Very low	50 Å²	50	111.6 Å²	111.6	31%	0.307	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-52.8	131	162.9	-51.2	0	0	0	0	108.5	Y530 V534 Q708	Y530-T706 HydrophobicContact CE1-CG2 4.37Å; Y530-T706 PolarHBondContact OH-OG1 2.72Å; V534-T706 HydrophobicContact CG1-CG2 4.35Å; T706-Q708 PolarHBondContact O-N 3.12Å
707	P	51.4	Low	41.2	Very low	32 Å²	32	111.1 Å²	111.1	21%	0.208	61%	0.612	C	S	.	*	P	Polyproline II helix	trans	-53.7	130.5	177	17.4	-28.7	0	0	0	110.1	A462 Y709	A462-P707 HydrophobicContact CB-CB 4.36Å; P707-Y709 HydrophobicContact CB-CD2 4.47Å; P707-Y709 HydrophobicContact CB-CE2 3.91Å; P707-Y709 HydrophobicContact CG-CE2 3.75Å; P707-Y709 WeakPolarHBondContact O-CD2 3.38Å; P707-Y709 WeakPolarHBondContact O-CE2 3.35Å
708	Q	57.4	Low	41	Very low	130 Å²	130	112.4 Å²	112.4	61%	0.607	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-77.6	150.3	166	-64.9	177.5	-83.2	0	0	107.8	E461 A462 T706	E461-Q708 CarbonylContact C-O 3.57Å; E461-Q708 WeakPolarHBondContact CA-O 3.34Å; E461-Q708 HydrophobicContact CB-CB 4.28Å; E461-Q708 HydrophobicContact CG-CB 4.04Å; A462-Q708 PolarHBondContact N-O 2.9Å; T706-Q708 PolarHBondContact O-N 3.12Å
709	Y	58.8	Low	41.1	Very low	30 Å²	30	112.2 Å²	112.2	12%	0.118	61%	0.612	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.2	138.2	-171.1	-73.5	-97.1	0	0	0	112.5	L454 A462 H531 V534 L540 P707	L454-Y709 HydrophobicContact CD1-CD1 4.31Å; L454-Y709 HydrophobicContact CD1-CE1 3.54Å; A462-Y709 HydrophobicContact CB-CD1 3.74Å; A462-Y709 HydrophobicContact CB-CE1 3.77Å; A462-Y709 HydrophobicContact CB-CG 4.35Å; A462-Y709 CarbonylContact O-C 3.59Å; A462-Y709 WeakPolarHBondContact O-CA 3.25Å; H531-Y709 PolarHBondContact ND1-OH 2.9Å; H531-Y709 VanDerWaalsContact ND1-OH 3.17Å; V534-Y709 HydrophobicContact CG2-CD2 3.37Å; V534-Y709 HydrophobicContact CG2-CE2 4Å; V534-Y709 HydrophobicContact CG2-CG 4.13Å; L540-Y709 HydrophobicContact CD2-CD1 3.58Å; L540-Y709 HydrophobicContact CD2-CD2 4.49Å; L540-Y709 HydrophobicContact CD2-CE1 3.29Å; L540-Y709 HydrophobicContact CD2-CE2 4.24Å; L540-Y709 HydrophobicContact CD2-CG 4.17Å; P707-Y709 HydrophobicContact CB-CD2 4.47Å; P707-Y709 HydrophobicContact CB-CE2 3.91Å; P707-Y709 HydrophobicContact CG-CE2 3.75Å; P707-Y709 WeakPolarHBondContact O-CD2 3.38Å; P707-Y709 WeakPolarHBondContact O-CE2 3.35Å
710	I	62.3	Low	41.3	Very low	63 Å²	63	112.4 Å²	112.4	32%	0.323	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.7	142.8	176	-31.9	179.6	0	0	0	110.6	E461 A462 I463 Y464	E461-I710 HydrophobicContact CB-CD1 3.79Å; E461-I710 HydrophobicContact CB-CG1 3.67Å; E461-I710 HydrophobicContact CG-CD1 4.33Å; E461-I710 HydrophobicContact CG-CG1 4.48Å; A462-I710 PolarHBondContact O-N 3.08Å; I463-I710 CarbonylContact C-O 3.55Å; I463-I710 VanDerWaalsContact CA-O 3.3Å; I463-I710 WeakPolarHBondContact CA-O 3.22Å; Y464-I710 VanDerWaalsContact CD1-C 3.4Å; Y464-I710 WeakPolarHBondContact CD1-O 3.34Å; Y464-I710 PolarHBondContact N-O 2.8Å
711	Q	63.4	Low	41.3	Very low	83 Å²	83	109.1 Å²	109.1	39%	0.388	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.8	140.4	166.4	-166	-176.3	15.6	0	0	110.5	Y464 D466	Y464-Q711 HydrophobicContact CE1-CB 4.39Å; Y464-Q711 VanDerWaalsContact CE1-N 3.32Å; Y464-Q711 HydrophobicContact CE2-CB 3.88Å; Y464-Q711 HydrophobicContact CE2-CG 4.03Å; D466-Q711 PolarHBondContact OD2-NE2 3.19Å
712	H	58.8	Low	41.5	Very low	110 Å²	110	108.4 Å²	108.4	51%	0.509	61%	0.612	S	S	.	*			trans	-64.6	138.3	168	-159	-91.2	0	0	0	110.4	I463 Y464 D714	I463-H712 HydrophobicContact CG2-CB 3.98Å; Y464-H712 PolarHBondContact O-N 3.35Å; H712-D714 IonicContact CE1-OD1 2.74Å; H712-D714 PolarHBondContact CE1-OD1 3.23Å; H712-D714 IonicContact ND1-OD1 3.15Å; H712-D714 PolarHBondContact ND1-OD1 2.96Å
713	Q	49.1	Very low	41.7	Very low	129 Å²	129	111.6 Å²	111.6	60%	0.603	62%	0.619	S	S	*	*			trans	-124	114.3	175.6	-68.8	-167.5	-23.5	0	0	109.7	D715	Q713-D715 VanDerWaalsContact C-N 3.29Å; Q713-D715 PolarHBondContact O-N 3.05Å
714	D	39.2	Very low	41.9	Very low	120 Å²	120	110.5 Å²	110.5	64%	0.642	62%	0.621	S	S	*	*			trans	-82	68.3	-176.7	-71.1	0.9	0	0	0	111.6	H712 N716	H712-D714 IonicContact CE1-OD1 2.74Å; H712-D714 PolarHBondContact CE1-OD1 3.23Å; H712-D714 IonicContact ND1-OD1 3.15Å; H712-D714 PolarHBondContact ND1-OD1 2.96Å; D714-N716 PolarHBondContact O-N 3.25Å
715	D	34.7	Very low	41.6	Very low	141 Å²	141	111.9 Å²	111.9	75%	0.754	63%	0.625	S	S	*	*			trans	-68	79.7	173.7	-91.8	-17	0	0	0	110.9	Q713 S717	Q713-D715 VanDerWaalsContact C-N 3.29Å; Q713-D715 PolarHBondContact O-N 3.05Å; D715-S717 VanDerWaalsContact C-N 3.3Å; D715-S717 PolarHBondContact O-N 3.44Å
716	N	30.7	Very low	41	Very low	157 Å²	157	114.6 Å²	114.6	84%	0.84	63%	0.633	S	S	*	*			trans	-68.9	77.5	178.4	-98.6	-65.3	0	0	0	112.3	D714	D714-N716 PolarHBondContact O-N 3.25Å
717	S	33.9	Very low	40.1	Very low	96 Å²	96	117.3 Å²	117.3	67%	0.671	65%	0.654	S	S	*	*			trans	-144.1	117.8	164.3	62.7	0	0	0	0	112.3	D715 P719	D715-S717 VanDerWaalsContact C-N 3.3Å; D715-S717 PolarHBondContact O-N 3.44Å; S717-P719 WeakPolarHBondContact O-CD 3.48Å
718	L	28.6	Very low	39.1	Very low	169 Å²	169	125.6 Å²	125.6	89%	0.885	68%	0.682	S	S	*	*			trans	-81.5	132.7	169.5	-107.9	75.2	0	0	0	110.4
719	P	32.6	Very low	37.7	Very low	119 Å²	119	125.3 Å²	125.3	77%	0.773	69%	0.69	S	S	*	*			trans	-107.3	136.5	144.2	-5.7	25.8	0	0	0	110.6	S717	S717-P719 WeakPolarHBondContact O-CD 3.48Å
720	T	32	Very low	36.5	Very low	123 Å²	123	132.7 Å²	132.7	76%	0.755	73%	0.725	S	S	*	*			trans	-76.7	130.7	178	49.9	0	0	0	0	112.7
721	S	29.4	Very low	35.1	Very low	111 Å²	111	136 Å²	136	78%	0.776	75%	0.748	S	S	*	*			trans	53.6	109.1	148.3	64.2	0	0	0	0	119.9
722	S	32.4	Very low	33.5	Very low	117 Å²	117	139.2 Å²	139.2	82%	0.818	77%	0.768	S	S	*	*				-155.6	148.8	128.6	54.9	0	0	0	0	110.8
723	H	29.9	Very low	32.2	Very low	178 Å²	178	139.6 Å²	139.6	82%	0.824	78%	0.78	S	S	*	*			trans	-77.8	136.9	179.5	-73.3	-110	0	0	0	111.8
724	T	32.9	Very low	31.2	Very low	140 Å²	140	140.3 Å²	140.3	86%	0.859	79%	0.787	S	S	*	*			trans	-155.7	126.6	143.8	12.7	0	0	0	0	109.6
725	D	26.1	Very low	30.8	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	80%	0.8	S	S	*	*			trans	-81	135.3	-175.7	-50.3	-87.9	0	0	0	112.7
726	L	30.6	Very low	30.5	Very low	160 Å²	160	145.6 Å²	145.6	84%	0.838	80%	0.801	S	S	*	*			trans	-155	94.7	164	-111.1	168.6	0	0	0	110	Y728	L726-Y728 HydrophobicContact CD2-CE2 4.46Å
727	S	27.3	Very low	30.4	Very low	107 Å²	107	143.9 Å²	143.9	75%	0.748	80%	0.796	S	S	*	*			trans	-94.9	126.8	-179.6	51.2	0	0	0	0	112
728	Y	30.2	Very low	30.4	Very low	205 Å²	205	146.1 Å²	146.1	80%	0.804	81%	0.805	S	S	*	*			trans	-119.7	114.8	169.1	-99.9	-90.4	0	0	0	110	L726	L726-Y728 HydrophobicContact CD2-CE2 4.46Å
729	T	28.9	Very low	30.4	Very low	124 Å²	124	145.3 Å²	145.3	76%	0.761	80%	0.797	S	S	*	*			trans	-115.5	125.4	176.2	47	0	0	0	0	109.9
730	H	33.6	Very low	30.2	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.856	79%	0.793	S	S	*	*			trans	-117.8	106.9	173.2	-109.3	-74.3	0	0	0	110
731	T	32.9	Very low	30.1	Very low	133 Å²	133	150.4 Å²	150.4	82%	0.816	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-89.5	147.5	-178.6	42.7	0	0	0	0	112.1
732	L	29.7	Very low	30.4	Very low	151 Å²	151	149.9 Å²	149.9	79%	0.791	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-81.7	138.5	175	-76.4	161.6	0	0	0	110.8
733	P	31.2	Very low	30.3	Very low	118 Å²	118	151.4 Å²	151.4	77%	0.766	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-77.5	138.1	173.1	31	-33.2	0	0	0	111.6
734	N	29.1	Very low	30.4	Very low	143 Å²	143	150.1 Å²	150.1	77%	0.765	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70	134.6	178.2	-73.5	-50.9	0	0	0	112.6
735	F	30	Very low	30.2	Very low	207 Å²	207	150.6 Å²	150.6	91%	0.908	78%	0.778	S	S	*	*			trans	-114.5	103.4	153	-104.4	-86.7	0	0	0	108.8
736	H	28	Very low	30.5	Very low	166 Å²	166	150.7 Å²	150.7	77%	0.769	78%	0.777	S	S	*	*			trans	-101.1	156.4	172.1	-126.1	-92.4	0	0	0	109.6
737	T	30	Very low	30.4	Very low	120 Å²	120	150.1 Å²	150.1	74%	0.736	77%	0.774	S	S	*	*			trans	65.6	128.5	-169.3	71.6	0	0	0	0	112.4
738	V	32.2	Very low	30.6	Very low	143 Å²	143	152.8 Å²	152.8	87%	0.867	78%	0.775	S	S	*	*			cis	-113.2	147	37.1	176.4	0	0	0	0	113.6
739	Q	29.8	Very low	30.7	Very low	152 Å²	152	149.3 Å²	149.3	71%	0.71	77%	0.773	S	S	*	*			trans	-96.8	154.4	172.9	-72.7	178.9	-67.5	0	0	112.2
740	N	28.2	Very low	30.8	Very low	130 Å²	130	151.1 Å²	151.1	70%	0.695	77%	0.774	S	S	*	*			trans	57	91.9	150.3	-55.3	-5.2	0	0	0	118.9
741	Y	30.2	Very low	30.6	Very low	219 Å²	219	148.5 Å²	148.5	86%	0.859	77%	0.768	S	S	*	*			trans	-138.1	147.3	135.7	-88.9	-84.3	0	0	0	108.3
742	P	34.6	Very low	30.4	Very low	100 Å²	100	149.8 Å²	149.8	65%	0.649	76%	0.764	S	S	*	*			trans	-68.8	161.4	-179.4	30	-35.4	0	0	0	112.1	D69	D69-P742 WeakPolarHBondContact OD1-CB 3.27Å
743	F	31.8	Very low	30.5	Very low	149 Å²	149	149.7 Å²	149.7	65%	0.654	76%	0.762	S	S	*	*			trans	-134.3	0	-158.5	-121.2	-61.4	0	0	0	115.4	D69 F509	D69-F743 PolarHBondContact OD1-N 2.7Å; F509-F743 HydrophobicContact CE1-CE1 4.11Å; F509-F743 HydrophobicContact CZ-CE1 4.28Å

Retrieved 743 of 743 residues in 132.9 ms (Link to these results)

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